smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)[C@@H](CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000416829784 282172193 /nfs/dbraw/zinc/17/21/93/282172193.db2.gz GEJMUOLAXUFSAM-QZTJIDSGSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCC1CCOCC1 ZINC000560529214 306273635 /nfs/dbraw/zinc/27/36/35/306273635.db2.gz ILHVDPAOJGCGQI-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000333948985 539662220 /nfs/dbraw/zinc/66/22/20/539662220.db2.gz WVNZMWLWRSTCHB-CQSZACIVSA-N 1 3 326.510 1.257 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342989719 539772395 /nfs/dbraw/zinc/77/23/95/539772395.db2.gz PKRKPIYPHXSKLM-JKSUJKDBSA-N 1 3 340.512 1.214 20 0 EDADHO CC1=CCN(CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806953 306309767 /nfs/dbraw/zinc/30/97/67/306309767.db2.gz PIWIQVFRTLOECH-SFHVURJKSA-N 1 3 328.460 1.825 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342689876 291048946 /nfs/dbraw/zinc/04/89/46/291048946.db2.gz FMFXRQRIJQFQKX-CVEARBPZSA-N 1 3 339.480 1.382 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077552834 138253174 /nfs/dbraw/zinc/25/31/74/138253174.db2.gz CIWGLJFAPDAXOW-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028790 138277347 /nfs/dbraw/zinc/27/73/47/138277347.db2.gz VTKUADBPMRYECT-YJBOKZPZSA-N 1 3 331.460 1.779 20 0 EDADHO CC[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccn(C)n1 ZINC000414179889 304104881 /nfs/dbraw/zinc/10/48/81/304104881.db2.gz AVBSJQIEPNXKJY-INIZCTEOSA-N 1 3 335.496 1.257 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc(S(C)(=O)=O)s1 ZINC000414370754 304112566 /nfs/dbraw/zinc/11/25/66/304112566.db2.gz VXNGSQYXQPOBRX-LBPRGKRZSA-N 1 3 334.507 1.598 20 0 EDADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702212 304129689 /nfs/dbraw/zinc/12/96/89/304129689.db2.gz UVOXDDFRVWLNED-QYZOEREBSA-N 1 3 338.540 1.101 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000414830548 304145688 /nfs/dbraw/zinc/14/56/88/304145688.db2.gz OSZLFLHSXKBBHR-INIZCTEOSA-N 1 3 344.459 1.478 20 0 EDADHO CC(C)n1ccc(C[C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989760 304148624 /nfs/dbraw/zinc/14/86/24/304148624.db2.gz QYLHSNNKLRHGLE-ZFWWWQNUSA-N 1 3 347.429 1.821 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncccc1C ZINC000074106482 203280098 /nfs/dbraw/zinc/28/00/98/203280098.db2.gz UEEAXAGLNGPPPU-QGZVFWFLSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncccc1C ZINC000074106482 203280102 /nfs/dbraw/zinc/28/01/02/203280102.db2.gz UEEAXAGLNGPPPU-QGZVFWFLSA-N 1 3 347.507 1.948 20 0 EDADHO C[C@@H](CNC(=O)NCc1cccc(OCCN(C)C)c1)[N@H+](C)C1CC1 ZINC000105114080 204134350 /nfs/dbraw/zinc/13/43/50/204134350.db2.gz OEIFMNSNWPCKMS-HNNXBMFYSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H](CNC(=O)NCc1cccc(OCCN(C)C)c1)[N@@H+](C)C1CC1 ZINC000105114080 204134353 /nfs/dbraw/zinc/13/43/53/204134353.db2.gz OEIFMNSNWPCKMS-HNNXBMFYSA-N 1 3 348.491 1.909 20 0 EDADHO Cc1ccsc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132103 304162627 /nfs/dbraw/zinc/16/26/27/304162627.db2.gz AEUNWTSZCYZOSW-CABCVRRESA-N 1 3 334.489 1.777 20 0 EDADHO CCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000236887020 139034334 /nfs/dbraw/zinc/03/43/34/139034334.db2.gz XSKFHUWRMNMOHZ-SFHVURJKSA-N 1 3 332.492 1.568 20 0 EDADHO CC[NH+]1CCN(c2ccc(NC(=O)CNCCOC)c(C)c2)CC1 ZINC000236896899 139034447 /nfs/dbraw/zinc/03/44/47/139034447.db2.gz ILFMCDPKUGNKGU-UHFFFAOYSA-N 1 3 334.464 1.311 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237729188 139058981 /nfs/dbraw/zinc/05/89/81/139058981.db2.gz CASKOISUJAVCJQ-DLBZAZTESA-N 1 3 330.476 1.408 20 0 EDADHO NC[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237810636 139061102 /nfs/dbraw/zinc/06/11/02/139061102.db2.gz JLQTWPVHFZXWOZ-QAPCUYQASA-N 1 3 331.460 1.346 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000111797277 220191804 /nfs/dbraw/zinc/19/18/04/220191804.db2.gz MVBBSEKVSZDTFM-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000238085353 139068662 /nfs/dbraw/zinc/06/86/62/139068662.db2.gz HXWAPCLPGGIKQH-AWEZNQCLSA-N 1 3 343.562 1.559 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000157921978 206163252 /nfs/dbraw/zinc/16/32/52/206163252.db2.gz MKEYMNNXAFMUSW-HKUYNNGSSA-N 1 3 344.503 1.751 20 0 EDADHO O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415320330 304194000 /nfs/dbraw/zinc/19/40/00/304194000.db2.gz BIIKPSHQDARPCB-MRXNPFEDSA-N 1 3 330.432 1.089 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415366174 304205019 /nfs/dbraw/zinc/20/50/19/304205019.db2.gz VLFNZFNZENNBBW-OAHLLOKOSA-N 1 3 332.448 1.274 20 0 EDADHO OCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000248400203 139162166 /nfs/dbraw/zinc/16/21/66/139162166.db2.gz KREKNQSFSPUVIG-GUDVDZBRSA-N 1 3 330.472 1.886 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000569102134 306496269 /nfs/dbraw/zinc/49/62/69/306496269.db2.gz CDZVVZLGHAKFMO-DNQNPRGNSA-N 1 3 331.460 1.855 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)CC(=O)NC1CCN(C2CC2)CC1 ZINC000261750917 139223016 /nfs/dbraw/zinc/22/30/16/139223016.db2.gz LUVLCXDKRZJKCR-UHFFFAOYSA-N 1 3 344.503 1.233 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903906 139235505 /nfs/dbraw/zinc/23/55/05/139235505.db2.gz PFPHXVWSQNGCGY-KBXCAEBGSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000262143022 139254663 /nfs/dbraw/zinc/25/46/63/139254663.db2.gz XZYWTJDZGRZFGM-CYBMUJFWSA-N 1 3 325.478 1.496 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415964984 251041106 /nfs/dbraw/zinc/04/11/06/251041106.db2.gz XLXLHGNFMXRLDL-IRXDYDNUSA-N 1 3 332.448 1.862 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)Nc2ccc(C[NH3+])cc2)ccn1 ZINC000415975704 251043063 /nfs/dbraw/zinc/04/30/63/251043063.db2.gz MVJQDGUIYSLZKS-UHFFFAOYSA-N 1 3 343.431 1.802 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416831325 251112033 /nfs/dbraw/zinc/11/20/33/251112033.db2.gz AXSUVXQAEUTYIM-IEBWSBKVSA-N 1 3 328.460 1.656 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297536 139267681 /nfs/dbraw/zinc/26/76/81/139267681.db2.gz WZAVURFDPYURML-DOTOQJQBSA-N 1 3 349.450 1.785 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417026647 251139401 /nfs/dbraw/zinc/13/94/01/251139401.db2.gz NQIFYKSBRXAFQN-GOSISDBHSA-N 1 3 330.476 1.828 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417204235 251146051 /nfs/dbraw/zinc/14/60/51/251146051.db2.gz ZWNPTKYJQSVGGM-KURKYZTESA-N 1 3 330.476 1.410 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262376838 139274303 /nfs/dbraw/zinc/27/43/03/139274303.db2.gz WQHRHBQIKOWZPP-WMZOPIPTSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617557 251206989 /nfs/dbraw/zinc/20/69/89/251206989.db2.gz CBLOWGLAIGNIHR-WBVHZDCISA-N 1 3 348.491 1.794 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000418103026 251323201 /nfs/dbraw/zinc/32/32/01/251323201.db2.gz IFQKGJQRAFNZHM-QZTJIDSGSA-N 1 3 330.476 1.950 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418426122 251367429 /nfs/dbraw/zinc/36/74/29/251367429.db2.gz LJYXNLVYMSIECY-HNNXBMFYSA-N 1 3 339.528 1.314 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434099 251370536 /nfs/dbraw/zinc/37/05/36/251370536.db2.gz VEQMNLVFBMETBF-QAPCUYQASA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418434185 251370586 /nfs/dbraw/zinc/37/05/86/251370586.db2.gz DWUVAZPNZYSXPH-CABCVRRESA-N 1 3 326.485 1.255 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135078 251339168 /nfs/dbraw/zinc/33/91/68/251339168.db2.gz HIRXSGHTLDFUBE-WMZOPIPTSA-N 1 3 330.476 1.887 20 0 EDADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418138538 251341044 /nfs/dbraw/zinc/34/10/44/251341044.db2.gz GJTSILQSJOHPFA-INIZCTEOSA-N 1 3 326.485 1.319 20 0 EDADHO COCCNCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418138538 251341048 /nfs/dbraw/zinc/34/10/48/251341048.db2.gz GJTSILQSJOHPFA-INIZCTEOSA-N 1 3 326.485 1.319 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717863 251395444 /nfs/dbraw/zinc/39/54/44/251395444.db2.gz TUOPDLXPMSJRIJ-STQMWFEESA-N 1 3 332.370 1.710 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418723371 251399254 /nfs/dbraw/zinc/39/92/54/251399254.db2.gz NVTKNKNAKPEDEK-YVSFHVDLSA-N 1 3 338.496 1.399 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418626042 251381227 /nfs/dbraw/zinc/38/12/27/251381227.db2.gz KQFTXYJBTGZRKN-RDJZCZTQSA-N 1 3 333.480 1.685 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000262659156 139293916 /nfs/dbraw/zinc/29/39/16/139293916.db2.gz WNLJLWUAXCRXFD-MRXNPFEDSA-N 1 3 348.491 1.131 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1CN(C)C ZINC000415592872 304235011 /nfs/dbraw/zinc/23/50/11/304235011.db2.gz IWPZVLBTKLMZBG-LJQANCHMSA-N 1 3 344.459 1.207 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875020 252008178 /nfs/dbraw/zinc/00/81/78/252008178.db2.gz BHLOAUGWCIDKTM-KURKYZTESA-N 1 3 330.476 1.664 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000422879575 252010367 /nfs/dbraw/zinc/01/03/67/252010367.db2.gz MPBSIMRUMRAKOW-DWQUBVKVSA-N 1 3 330.432 1.219 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422899899 252016420 /nfs/dbraw/zinc/01/64/20/252016420.db2.gz IJZAEHDSHKSBCV-ZIAGYGMSSA-N 1 3 327.494 1.730 20 0 EDADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCOCC1 ZINC000423170144 252041114 /nfs/dbraw/zinc/04/11/14/252041114.db2.gz LCLWNQOWBZKJJU-BZSNNMDCSA-N 1 3 337.508 1.378 20 0 EDADHO C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)C1CNC1 ZINC000422909377 252020688 /nfs/dbraw/zinc/02/06/88/252020688.db2.gz FSWRTVASGSPCAA-MRXNPFEDSA-N 1 3 330.476 1.313 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000423786409 252073704 /nfs/dbraw/zinc/07/37/04/252073704.db2.gz PRSVZUSXFKLNOR-MRXNPFEDSA-N 1 3 342.447 1.825 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(C)CC1 ZINC000424155237 252147498 /nfs/dbraw/zinc/14/74/98/252147498.db2.gz MPNZWBLHDVYSGQ-CABCVRRESA-N 1 3 334.468 1.053 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471917 252242212 /nfs/dbraw/zinc/24/22/12/252242212.db2.gz DMIPICLIBWNVIW-GDAAHCPNSA-N 1 3 342.487 1.900 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441289 252233663 /nfs/dbraw/zinc/23/36/63/252233663.db2.gz WRCDISCLBGFKDB-INIZCTEOSA-N 1 3 347.507 1.849 20 0 EDADHO COCCN1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376254101 285010528 /nfs/dbraw/zinc/01/05/28/285010528.db2.gz JNSQGBTYDRTSFG-WBVHZDCISA-N 1 3 338.496 1.365 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1CN(C)C ZINC000415754678 304265931 /nfs/dbraw/zinc/26/59/31/304265931.db2.gz ZSJPHRFVWNSAOO-ZBFHGGJFSA-N 1 3 344.459 1.063 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000263761333 139358490 /nfs/dbraw/zinc/35/84/90/139358490.db2.gz KZOSMSHOYXNFHX-QGZVFWFLSA-N 1 3 336.480 1.037 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827207 255037065 /nfs/dbraw/zinc/03/70/65/255037065.db2.gz ZAHZWMGOOYPBRT-DFGXFYAUSA-N 1 3 334.508 1.842 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827207 255037066 /nfs/dbraw/zinc/03/70/66/255037066.db2.gz ZAHZWMGOOYPBRT-DFGXFYAUSA-N 1 3 334.508 1.842 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916396 285245275 /nfs/dbraw/zinc/24/52/75/285245275.db2.gz QCCCVTUGOCZDJH-HZPDHXFCSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916396 285245278 /nfs/dbraw/zinc/24/52/78/285245278.db2.gz QCCCVTUGOCZDJH-HZPDHXFCSA-N 1 3 342.553 1.940 20 0 EDADHO Cc1ccc(NC(=O)/C=C\CN(C)C)cc1NC(=O)CC[NH+](C)C ZINC000492592631 255181759 /nfs/dbraw/zinc/18/17/59/255181759.db2.gz JDMARQCILZLUJW-SREVYHEPSA-N 1 3 332.448 1.942 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000264306874 139395670 /nfs/dbraw/zinc/39/56/70/139395670.db2.gz YMJJIHPGUHOIAW-AWEZNQCLSA-N 1 3 342.509 1.570 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000355351906 285379165 /nfs/dbraw/zinc/37/91/65/285379165.db2.gz UVYLKQHGOPRVPY-MSOLQXFVSA-N 1 3 331.460 1.683 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000415921860 304285600 /nfs/dbraw/zinc/28/56/00/304285600.db2.gz SIXAEGTYKCYPDQ-QGZVFWFLSA-N 1 3 334.464 1.981 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000415935881 304286220 /nfs/dbraw/zinc/28/62/20/304286220.db2.gz UHKVLIWHCNJUOV-UHFFFAOYSA-N 1 3 333.480 1.554 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN(C2CCC2)C1 ZINC000416055416 304287658 /nfs/dbraw/zinc/28/76/58/304287658.db2.gz XHBJZTRRVMWCTM-YPMHNXCESA-N 1 3 336.402 1.782 20 0 EDADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000416238056 304298822 /nfs/dbraw/zinc/29/88/22/304298822.db2.gz GTBLBAQNGJXLFR-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000416244434 304300033 /nfs/dbraw/zinc/30/00/33/304300033.db2.gz VVKNUVPMBCEMEJ-MSOLQXFVSA-N 1 3 333.476 1.642 20 0 EDADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC(=O)C1CC1 ZINC000271789724 140350720 /nfs/dbraw/zinc/35/07/20/140350720.db2.gz GILTVGFDPFKEFJ-UHFFFAOYSA-N 1 3 348.443 1.557 20 0 EDADHO C[N@H+]1CC=C(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272083127 140397862 /nfs/dbraw/zinc/39/78/62/140397862.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 1 3 328.460 1.822 20 0 EDADHO C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272083127 140397864 /nfs/dbraw/zinc/39/78/64/140397864.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 1 3 328.460 1.822 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813348 141083862 /nfs/dbraw/zinc/08/38/62/141083862.db2.gz UCAROQCYERHGLD-HLLBOEOZSA-N 1 3 343.537 1.701 20 0 EDADHO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333269948 141290453 /nfs/dbraw/zinc/29/04/53/141290453.db2.gz KHFGPOLUOGVWMP-YESZJQIVSA-N 1 3 343.537 1.558 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442180 141317627 /nfs/dbraw/zinc/31/76/27/141317627.db2.gz WGIFXXYIQRZLOF-BVPBIZIASA-N 1 3 328.460 1.605 20 0 EDADHO CC1(C)CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCN1 ZINC000333685452 141357196 /nfs/dbraw/zinc/35/71/96/141357196.db2.gz ZZWZFIVBQSZRAQ-UHFFFAOYSA-N 1 3 331.464 1.691 20 0 EDADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687075 141357952 /nfs/dbraw/zinc/35/79/52/141357952.db2.gz PJMXUKXWENRQBR-SJLPKXTDSA-N 1 3 345.491 1.830 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333786885 141381563 /nfs/dbraw/zinc/38/15/63/141381563.db2.gz LUMIHRRVDJMQLH-GASCZTMLSA-N 1 3 338.496 1.269 20 0 EDADHO NC(=O)C1(NC/C=C/C[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000340173359 142291584 /nfs/dbraw/zinc/29/15/84/142291584.db2.gz SAGWQVQILRTICV-BQYQJAHWSA-N 1 3 336.480 1.098 20 0 EDADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000347258314 143301074 /nfs/dbraw/zinc/30/10/74/143301074.db2.gz CCWKZSWTHJGGCM-CGTJXYLNSA-N 1 3 333.476 1.290 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000347978999 143386786 /nfs/dbraw/zinc/38/67/86/143386786.db2.gz QOXAYGNZNZXCEX-JKSUJKDBSA-N 1 3 340.512 1.163 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCN(C)CC2)[C@@H](C)C1 ZINC000360979325 286060287 /nfs/dbraw/zinc/06/02/87/286060287.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCCN(C)CC2)[C@@H](C)C1 ZINC000360979325 286060288 /nfs/dbraw/zinc/06/02/88/286060288.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333772918 286093334 /nfs/dbraw/zinc/09/33/34/286093334.db2.gz CILBRQQVIHETEI-QAETUUGQSA-N 1 3 338.496 1.399 20 0 EDADHO CCCN1CCC[C@@H]1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000353122374 149296125 /nfs/dbraw/zinc/29/61/25/149296125.db2.gz GIEWILHBCWLPQW-QGZVFWFLSA-N 1 3 332.496 1.192 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416969103 304357555 /nfs/dbraw/zinc/35/75/55/304357555.db2.gz KDTDTJRRIBRJFX-QGZVFWFLSA-N 1 3 348.491 1.768 20 0 EDADHO COCC[NH2+]CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000416972064 304358392 /nfs/dbraw/zinc/35/83/92/304358392.db2.gz HSVNXWAJGOBHMY-UHFFFAOYSA-N 1 3 348.491 1.495 20 0 EDADHO C[C@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000416979228 304360247 /nfs/dbraw/zinc/36/02/47/304360247.db2.gz WUFJTEVKVXQMON-WMLDXEAASA-N 1 3 334.464 1.506 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369141 286198395 /nfs/dbraw/zinc/19/83/95/286198395.db2.gz YSEGTVRAYAPMKN-HIFRSBDPSA-N 1 3 343.493 1.341 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@H](OC)CN1C ZINC000358447178 151379280 /nfs/dbraw/zinc/37/92/80/151379280.db2.gz ZARDVRFQLWJRHE-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@H](OC)CN1C ZINC000358447178 151379282 /nfs/dbraw/zinc/37/92/82/151379282.db2.gz ZARDVRFQLWJRHE-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000358981447 151558054 /nfs/dbraw/zinc/55/80/54/151558054.db2.gz GWUMMZBFQBCREC-NJAFHUGGSA-N 1 3 333.476 1.290 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120499 304374571 /nfs/dbraw/zinc/37/45/71/304374571.db2.gz VNVNJRBUDGBAEP-HUUCEWRRSA-N 1 3 340.537 1.727 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417118185 304374257 /nfs/dbraw/zinc/37/42/57/304374257.db2.gz RJCAMKSSBDTVCB-QGZVFWFLSA-N 1 3 334.464 1.186 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120498 304374812 /nfs/dbraw/zinc/37/48/12/304374812.db2.gz VNVNJRBUDGBAEP-GJZGRUSLSA-N 1 3 340.537 1.727 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)cc2)CC1 ZINC000359779076 151819213 /nfs/dbraw/zinc/81/92/13/151819213.db2.gz UBSUCVXZZDULGW-LPHOPBHVSA-N 1 3 344.503 1.851 20 0 EDADHO CC[NH+](CC)CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000360176755 151940646 /nfs/dbraw/zinc/94/06/46/151940646.db2.gz YERMLZAPFDLRSB-UHFFFAOYSA-N 1 3 346.519 1.965 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413553 152028671 /nfs/dbraw/zinc/02/86/71/152028671.db2.gz LTXRSVAMOVQLMU-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(CCC(C)(C)O)CC1 ZINC000360470163 152057680 /nfs/dbraw/zinc/05/76/80/152057680.db2.gz RKAUZFDFGLEBMB-UHFFFAOYSA-N 1 3 335.492 1.910 20 0 EDADHO CSC1(CNC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687072 152152955 /nfs/dbraw/zinc/15/29/55/152152955.db2.gz ABVLFBFVCONXFT-GJZGRUSLSA-N 1 3 342.553 1.938 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360747456 152183541 /nfs/dbraw/zinc/18/35/41/152183541.db2.gz SKGIPZXDGGHLDZ-DOTOQJQBSA-N 1 3 342.553 1.797 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360747456 152183544 /nfs/dbraw/zinc/18/35/44/152183544.db2.gz SKGIPZXDGGHLDZ-DOTOQJQBSA-N 1 3 342.553 1.797 20 0 EDADHO [NH3+]CCCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000417166183 304380103 /nfs/dbraw/zinc/38/01/03/304380103.db2.gz YZIIEORHKVRFRS-UHFFFAOYSA-N 1 3 347.507 1.232 20 0 EDADHO CN(CCCN(C)Cc1cc(-c2cccnc2)n[nH]1)CC[NH+](C)C ZINC000367663466 154220394 /nfs/dbraw/zinc/22/03/94/154220394.db2.gz FVMGCWICWRYLCE-UHFFFAOYSA-N 1 3 330.480 1.787 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)C2)CC1 ZINC000367795297 154274283 /nfs/dbraw/zinc/27/42/83/154274283.db2.gz OGNQSZWYXQOEMI-MRXNPFEDSA-N 1 3 349.548 1.870 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417341013 304392726 /nfs/dbraw/zinc/39/27/26/304392726.db2.gz BETLODXWXKTPRA-ZBFHGGJFSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000417341262 304392781 /nfs/dbraw/zinc/39/27/81/304392781.db2.gz BHEXDPGZETYQMU-ZBFHGGJFSA-N 1 3 334.464 1.567 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417361153 304394789 /nfs/dbraw/zinc/39/47/89/304394789.db2.gz IPANSXMMLXTTRS-HRCADAONSA-N 1 3 348.516 1.821 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000417523588 304403130 /nfs/dbraw/zinc/40/31/30/304403130.db2.gz IFIFTWHAZTXNCG-IAGOWNOFSA-N 1 3 348.491 1.596 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000352149953 162014509 /nfs/dbraw/zinc/01/45/09/162014509.db2.gz VPLGLHFBSRCGAN-CABCVRRESA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H](c1ccccc1)N(C)C ZINC000357290689 286972886 /nfs/dbraw/zinc/97/28/86/286972886.db2.gz VVWADRPFJCYWHR-CRAIPNDOSA-N 1 3 341.459 1.906 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418186389 304461954 /nfs/dbraw/zinc/46/19/54/304461954.db2.gz RUWVMNQLEWFWLB-AEFFLSMTSA-N 1 3 347.507 1.191 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000166707067 226166380 /nfs/dbraw/zinc/16/63/80/226166380.db2.gz NCTXRVUTBQQGOW-QGZVFWFLSA-N 1 3 337.464 1.918 20 0 EDADHO CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762433 452339444 /nfs/dbraw/zinc/33/94/44/452339444.db2.gz DIXPZJMVWIPEPF-RDJZCZTQSA-N 1 3 328.501 1.469 20 0 EDADHO CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762433 452339453 /nfs/dbraw/zinc/33/94/53/452339453.db2.gz DIXPZJMVWIPEPF-RDJZCZTQSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H](NC[C@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972297 268253889 /nfs/dbraw/zinc/25/38/89/268253889.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H](NC[C@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972297 268253891 /nfs/dbraw/zinc/25/38/91/268253891.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274972297 268253892 /nfs/dbraw/zinc/25/38/92/268253892.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 1 3 330.520 1.732 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000275418308 268339858 /nfs/dbraw/zinc/33/98/58/268339858.db2.gz HFJPYYAVGZHXCK-UHFFFAOYSA-N 1 3 348.491 1.433 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000276036992 268392756 /nfs/dbraw/zinc/39/27/56/268392756.db2.gz RGSJACOKNUPBSR-INIZCTEOSA-N 1 3 346.475 1.405 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000276036992 268392758 /nfs/dbraw/zinc/39/27/58/268392758.db2.gz RGSJACOKNUPBSR-INIZCTEOSA-N 1 3 346.475 1.405 20 0 EDADHO NC[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(F)(F)F ZINC000655915450 452675360 /nfs/dbraw/zinc/67/53/60/452675360.db2.gz VDNNRHPPMFUQSC-CYBMUJFWSA-N 1 3 336.402 1.830 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000337197621 274943768 /nfs/dbraw/zinc/94/37/68/274943768.db2.gz YTQBGRNIDCIHJS-GOSISDBHSA-N 1 3 348.466 1.502 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000356087692 276206963 /nfs/dbraw/zinc/20/69/63/276206963.db2.gz IJTKUSSSGWAQEA-AWEZNQCLSA-N 1 3 341.496 1.544 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270825777 276323158 /nfs/dbraw/zinc/32/31/58/276323158.db2.gz IRCQQEVPZBXTBN-ZWKOTPCHSA-N 1 3 333.476 1.327 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270825777 276323160 /nfs/dbraw/zinc/32/31/60/276323160.db2.gz IRCQQEVPZBXTBN-ZWKOTPCHSA-N 1 3 333.476 1.327 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000262636353 277105494 /nfs/dbraw/zinc/10/54/94/277105494.db2.gz HTWNMLOGOLBNNJ-ZWKOTPCHSA-N 1 3 330.476 1.091 20 0 EDADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367618448 277172311 /nfs/dbraw/zinc/17/23/11/277172311.db2.gz SIYQGIYXZXXBMM-SQNIBIBYSA-N 1 3 330.476 1.881 20 0 EDADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367618448 277172312 /nfs/dbraw/zinc/17/23/12/277172312.db2.gz SIYQGIYXZXXBMM-SQNIBIBYSA-N 1 3 330.476 1.881 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367618448 277172313 /nfs/dbraw/zinc/17/23/13/277172313.db2.gz SIYQGIYXZXXBMM-SQNIBIBYSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000417828689 278018860 /nfs/dbraw/zinc/01/88/60/278018860.db2.gz FUURKCBQMCZMJC-NVXWUHKLSA-N 1 3 334.464 1.002 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)[C@H]2CCOC2)CC1 ZINC000360771074 279375420 /nfs/dbraw/zinc/37/54/20/279375420.db2.gz HEIRHUXPMHJOCE-OALUTQOASA-N 1 3 347.503 1.563 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)CN1C ZINC000347241648 280249086 /nfs/dbraw/zinc/24/90/86/280249086.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)CN1C ZINC000347241648 280249087 /nfs/dbraw/zinc/24/90/87/280249087.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000365664837 280321757 /nfs/dbraw/zinc/32/17/57/280321757.db2.gz ZXVXKAVMQDHXEZ-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000353519771 280574710 /nfs/dbraw/zinc/57/47/10/280574710.db2.gz NTSKSDKJUUYBEM-CABCVRRESA-N 1 3 325.522 1.852 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000289882786 288796586 /nfs/dbraw/zinc/79/65/86/288796586.db2.gz MFICONLOTFWSCW-INIZCTEOSA-N 1 3 333.432 1.179 20 0 EDADHO CN1CCN(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1(C)C ZINC000497025674 290043531 /nfs/dbraw/zinc/04/35/31/290043531.db2.gz LMAVTUDGZYAFBG-UHFFFAOYSA-N 1 3 342.528 1.905 20 0 EDADHO COC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCOCC1 ZINC000370685335 293160737 /nfs/dbraw/zinc/16/07/37/293160737.db2.gz ZWPKFXCUUYOOLC-AEFFLSMTSA-N 1 3 325.497 1.186 20 0 EDADHO CN(C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418571819 304514115 /nfs/dbraw/zinc/51/41/15/304514115.db2.gz RZADTEWNUQRLQF-IUODEOHRSA-N 1 3 326.391 1.271 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418844036 304540378 /nfs/dbraw/zinc/54/03/78/304540378.db2.gz LDCLBCATUBOZCW-INIZCTEOSA-N 1 3 346.475 1.182 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641163 447313345 /nfs/dbraw/zinc/31/33/45/447313345.db2.gz KZBDBCLLZYLXOJ-YOEHRIQHSA-N 1 3 346.475 1.093 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000295600433 303240174 /nfs/dbraw/zinc/24/01/74/303240174.db2.gz WZDSURJIQPMZLM-IBGZPJMESA-N 1 3 345.487 1.859 20 0 EDADHO NC[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000296313963 303310003 /nfs/dbraw/zinc/31/00/03/303310003.db2.gz GUIQDMVJMPVNFY-MRXNPFEDSA-N 1 3 325.416 1.172 20 0 EDADHO [NH3+]CC1(C(=O)N2CCc3c2cccc3CN2CCCC2)CCOCC1 ZINC000375367849 303369103 /nfs/dbraw/zinc/36/91/03/303369103.db2.gz QKLMMQIKSLZSRK-UHFFFAOYSA-N 1 3 343.471 1.927 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882933 447341603 /nfs/dbraw/zinc/34/16/03/447341603.db2.gz SOXVCVRVNRNMPQ-CJNGLKHVSA-N 1 3 332.448 1.635 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000414884379 447344031 /nfs/dbraw/zinc/34/40/31/447344031.db2.gz NVSNIUGJWNXUEG-GOSISDBHSA-N 1 3 332.448 1.844 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)c1 ZINC000414882928 447341958 /nfs/dbraw/zinc/34/19/58/447341958.db2.gz SNXBUMZHEKOPCN-MRXNPFEDSA-N 1 3 332.448 1.191 20 0 EDADHO O=C(NCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960674 304881086 /nfs/dbraw/zinc/88/10/86/304881086.db2.gz XFKYALFEDQIHRN-RCCFBDPRSA-N 1 3 349.450 1.692 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423752230 304908249 /nfs/dbraw/zinc/90/82/49/304908249.db2.gz VRANPVVDXQZKQS-CRAIPNDOSA-N 1 3 337.414 1.855 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037641 304925767 /nfs/dbraw/zinc/92/57/67/304925767.db2.gz KGPODZHGUORVGD-CCJAMMFBSA-N 1 3 331.435 2.000 20 0 EDADHO CN(C)Cc1cccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000429031508 305023264 /nfs/dbraw/zinc/02/32/64/305023264.db2.gz VCHZMDCOPKXVCA-UHFFFAOYSA-N 1 3 339.443 1.805 20 0 EDADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620027 305059495 /nfs/dbraw/zinc/05/94/95/305059495.db2.gz BQVVKSHPJOWLKZ-SFHVURJKSA-N 1 3 348.466 1.678 20 0 EDADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620027 305059496 /nfs/dbraw/zinc/05/94/96/305059496.db2.gz BQVVKSHPJOWLKZ-SFHVURJKSA-N 1 3 348.466 1.678 20 0 EDADHO [NH3+]C[C@H]1CCCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430626754 305059918 /nfs/dbraw/zinc/05/99/18/305059918.db2.gz MCXFDABUXZJGHB-MRXNPFEDSA-N 1 3 348.466 1.535 20 0 EDADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@@H]1C ZINC000430747937 305063896 /nfs/dbraw/zinc/06/38/96/305063896.db2.gz NZHSZPOJKOXNSF-UONOGXRCSA-N 1 3 334.468 1.195 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1 ZINC000430917269 305067983 /nfs/dbraw/zinc/06/79/83/305067983.db2.gz YGENKYLLEIGTLG-QZTJIDSGSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1 ZINC000430917269 305067984 /nfs/dbraw/zinc/06/79/84/305067984.db2.gz YGENKYLLEIGTLG-QZTJIDSGSA-N 1 3 349.475 1.191 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)N(CC)CC ZINC000437957728 305179538 /nfs/dbraw/zinc/17/95/38/305179538.db2.gz SLIMTBSKXSDBIE-VVLHAWIVSA-N 1 3 325.497 1.817 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440990453 305215956 /nfs/dbraw/zinc/21/59/56/305215956.db2.gz VXIHVRPYLUXTMB-UHFFFAOYSA-N 1 3 339.528 1.138 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164318 305759339 /nfs/dbraw/zinc/75/93/39/305759339.db2.gz MMPPJHDZJGQHQA-QZTJIDSGSA-N 1 3 331.508 1.831 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C)CC1 ZINC000425938321 447364663 /nfs/dbraw/zinc/36/46/63/447364663.db2.gz WVOSLJPFACYWBA-GJZGRUSLSA-N 1 3 341.496 1.354 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C)CC1 ZINC000425938321 447364669 /nfs/dbraw/zinc/36/46/69/447364669.db2.gz WVOSLJPFACYWBA-GJZGRUSLSA-N 1 3 341.496 1.354 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000422133153 447364867 /nfs/dbraw/zinc/36/48/67/447364867.db2.gz KWJPEFWBTNQDFI-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000551104106 306155848 /nfs/dbraw/zinc/15/58/48/306155848.db2.gz BCEKFLSMLMKKFA-ZWKOTPCHSA-N 1 3 333.476 1.470 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNc2nc(NCC)nc(NC(C)(C)C)n2)C1 ZINC000553331174 306184285 /nfs/dbraw/zinc/18/42/85/306184285.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 1 3 335.500 1.501 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNc2nc(NCC)nc(NC(C)(C)C)n2)C1 ZINC000553331174 306184286 /nfs/dbraw/zinc/18/42/86/306184286.db2.gz YOPIWXVTUCOFLW-ZDUSSCGKSA-N 1 3 335.500 1.501 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000414946844 447369529 /nfs/dbraw/zinc/36/95/29/447369529.db2.gz TYZINSHIPBUQQG-YOEHRIQHSA-N 1 3 346.475 1.580 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458487496 447384183 /nfs/dbraw/zinc/38/41/83/447384183.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458487496 447384189 /nfs/dbraw/zinc/38/41/89/447384189.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO C[C@@]1(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112705 447389646 /nfs/dbraw/zinc/38/96/46/447389646.db2.gz DFEOFYIRYZMYFE-QFBILLFUSA-N 1 3 330.476 1.795 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509064 447393735 /nfs/dbraw/zinc/39/37/35/447393735.db2.gz HVSJCXKJJNMYOJ-GJZGRUSLSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C(C)(C)C[NH+](C)C ZINC000458522765 447398905 /nfs/dbraw/zinc/39/89/05/447398905.db2.gz PPPITKOLZQLIPL-HUUCEWRRSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538502 447403862 /nfs/dbraw/zinc/40/38/62/447403862.db2.gz AABBWWFAQTTWOA-QXCFHYIPSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538502 447403865 /nfs/dbraw/zinc/40/38/65/447403865.db2.gz AABBWWFAQTTWOA-QXCFHYIPSA-N 1 3 342.487 1.995 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458541227 447406037 /nfs/dbraw/zinc/40/60/37/447406037.db2.gz SBCRASDUGVCQGX-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458541227 447406044 /nfs/dbraw/zinc/40/60/44/447406044.db2.gz SBCRASDUGVCQGX-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CCC[C@H](O)[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811125 447427233 /nfs/dbraw/zinc/42/72/33/447427233.db2.gz HGBWMYIGRFVFKL-QUCCMNQESA-N 1 3 349.519 1.829 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(O)CC1 ZINC000080565233 441179109 /nfs/dbraw/zinc/17/91/09/441179109.db2.gz UIQADMYDCVPAEU-AQFXKWCLSA-N 1 3 340.512 1.347 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(O)CC1 ZINC000080565233 441179113 /nfs/dbraw/zinc/17/91/13/441179113.db2.gz UIQADMYDCVPAEU-AQFXKWCLSA-N 1 3 340.512 1.347 20 0 EDADHO Cc1nnc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)o1 ZINC000081354865 441255940 /nfs/dbraw/zinc/25/59/40/441255940.db2.gz VJUJLXZRYKVEPW-UHFFFAOYSA-N 1 3 345.447 1.610 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CCOCC1 ZINC000073236885 441304054 /nfs/dbraw/zinc/30/40/54/441304054.db2.gz DMSOECIVVPQUIY-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO COCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051273009 441405372 /nfs/dbraw/zinc/40/53/72/441405372.db2.gz BEMDBAMLZXTSET-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000124766706 441951272 /nfs/dbraw/zinc/95/12/72/441951272.db2.gz XPIATQLLZQFOAN-LJQANCHMSA-N 1 3 346.519 1.651 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCN(C3CCCCC3)CC2)CC1 ZINC000162992585 442136374 /nfs/dbraw/zinc/13/63/74/442136374.db2.gz KGEKYHFCJCUQDP-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H](C)O1 ZINC000176741783 442251983 /nfs/dbraw/zinc/25/19/83/442251983.db2.gz DRZVBZXHIMFBLX-HUUCEWRRSA-N 1 3 336.480 1.696 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000165968886 442212506 /nfs/dbraw/zinc/21/25/06/442212506.db2.gz NAASPHUQOKNYKH-IBGZPJMESA-N 1 3 344.503 1.091 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000165968886 442212510 /nfs/dbraw/zinc/21/25/10/442212510.db2.gz NAASPHUQOKNYKH-IBGZPJMESA-N 1 3 344.503 1.091 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154325752 442332784 /nfs/dbraw/zinc/33/27/84/442332784.db2.gz ZOVHCNZPQVZQCW-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000130420546 442346482 /nfs/dbraw/zinc/34/64/82/442346482.db2.gz XYNKCDHBULZGCJ-GOSISDBHSA-N 1 3 344.503 1.847 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000155200696 442380929 /nfs/dbraw/zinc/38/09/29/442380929.db2.gz OMKOLQBQHOFBRU-HOCLYGCPSA-N 1 3 334.464 1.577 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)CC[N@H+]1C ZINC000155200696 442380933 /nfs/dbraw/zinc/38/09/33/442380933.db2.gz OMKOLQBQHOFBRU-HOCLYGCPSA-N 1 3 334.464 1.577 20 0 EDADHO COC1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831752 442497698 /nfs/dbraw/zinc/49/76/98/442497698.db2.gz XXEGTPUXQSYWQA-RDJZCZTQSA-N 1 3 331.460 1.534 20 0 EDADHO C[NH+](C)CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000179215405 442599375 /nfs/dbraw/zinc/59/93/75/442599375.db2.gz PUOSFWUJKWZVOX-UHFFFAOYSA-N 1 3 347.507 1.450 20 0 EDADHO CN(C)C(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000192694871 442677522 /nfs/dbraw/zinc/67/75/22/442677522.db2.gz VWLXJWHEWSRJTK-ALOPSCKCSA-N 1 3 331.460 1.868 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000193317968 442732183 /nfs/dbraw/zinc/73/21/83/442732183.db2.gz XGWMNBUUWKGKNW-PBHICJAKSA-N 1 3 346.475 1.919 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000183224865 442907176 /nfs/dbraw/zinc/90/71/76/442907176.db2.gz NJQJIUVMVNEGGU-HZPDHXFCSA-N 1 3 334.464 1.625 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1(C)C ZINC000249095186 442950976 /nfs/dbraw/zinc/95/09/76/442950976.db2.gz XKWOTRIKSFWHAU-HDMKZQKVSA-N 1 3 325.497 1.709 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C3CC[NH+](C)CC3)ccc2oc1=O ZINC000266135301 443030563 /nfs/dbraw/zinc/03/05/63/443030563.db2.gz KTLLKEYDRYDIJE-UHFFFAOYSA-N 1 3 346.431 1.436 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCNC1=O ZINC000189959780 443038075 /nfs/dbraw/zinc/03/80/75/443038075.db2.gz UAQKDPWHHOKRPL-HUUCEWRRSA-N 1 3 344.459 1.284 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770352 443103432 /nfs/dbraw/zinc/10/34/32/443103432.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000268770352 443103435 /nfs/dbraw/zinc/10/34/35/443103435.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000268770352 443103437 /nfs/dbraw/zinc/10/34/37/443103437.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812435 443116946 /nfs/dbraw/zinc/11/69/46/443116946.db2.gz FHENGVSVUPXUAL-RHSMWYFYSA-N 1 3 333.432 1.751 20 0 EDADHO N[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163864 443184602 /nfs/dbraw/zinc/18/46/02/443184602.db2.gz YCHJYKAMDYOFJR-FUHWJXTLSA-N 1 3 337.508 1.855 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262223305 443186340 /nfs/dbraw/zinc/18/63/40/443186340.db2.gz FVQIEZDKMVOOAH-XJKSGUPXSA-N 1 3 325.478 1.639 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000245591564 443238612 /nfs/dbraw/zinc/23/86/12/443238612.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000245591564 443238617 /nfs/dbraw/zinc/23/86/17/443238617.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CN1CCN(CCCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000262641531 443205203 /nfs/dbraw/zinc/20/52/03/443205203.db2.gz KXBGEWNHDJDYAR-LJQANCHMSA-N 1 3 344.503 1.481 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185527699 443214456 /nfs/dbraw/zinc/21/44/56/443214456.db2.gz KXMSCVJOGLABJI-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337090 319134348 /nfs/dbraw/zinc/13/43/48/319134348.db2.gz BJVCOJTVOQHKHE-KFWWJZLASA-N 1 3 327.469 1.552 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337090 319134350 /nfs/dbraw/zinc/13/43/50/319134350.db2.gz BJVCOJTVOQHKHE-KFWWJZLASA-N 1 3 327.469 1.552 20 0 EDADHO NC(=O)[C@]1(O)CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713325 319198138 /nfs/dbraw/zinc/19/81/38/319198138.db2.gz AASQWRSURXDVOK-IBGZPJMESA-N 1 3 331.460 1.485 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)CC1 ZINC000411769239 319202146 /nfs/dbraw/zinc/20/21/46/319202146.db2.gz IMPRSCMGDOJLPN-QGZVFWFLSA-N 1 3 325.497 1.364 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC(C)(C)CCC[NH3+] ZINC000417368106 319494733 /nfs/dbraw/zinc/49/47/33/319494733.db2.gz QQGNIECFCGTSRQ-UHFFFAOYSA-N 1 3 336.480 1.944 20 0 EDADHO Cc1ccc(C[NH2+]C[C@H](O)CN2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282754384 443424866 /nfs/dbraw/zinc/42/48/66/443424866.db2.gz VGIWMYIAPVAACJ-SFHVURJKSA-N 1 3 328.460 1.942 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000269690569 443398153 /nfs/dbraw/zinc/39/81/53/443398153.db2.gz WPBDAJAWCMYTJA-UNEWFSDZSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000269690569 443398158 /nfs/dbraw/zinc/39/81/58/443398158.db2.gz WPBDAJAWCMYTJA-UNEWFSDZSA-N 1 3 346.475 1.696 20 0 EDADHO CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCN(C)CC1 ZINC000264948946 443488424 /nfs/dbraw/zinc/48/84/24/443488424.db2.gz XQTOMVLLTUCQHT-IBGZPJMESA-N 1 3 346.519 1.750 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000272297900 443583659 /nfs/dbraw/zinc/58/36/59/443583659.db2.gz QGDUGGRJDDHCSH-MSOLQXFVSA-N 1 3 344.503 1.703 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1cccc(S(C)(=O)=O)c1 ZINC000449226819 320180089 /nfs/dbraw/zinc/18/00/89/320180089.db2.gz YJYHDZKZZLHFEA-HNNXBMFYSA-N 1 3 328.478 1.537 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000276595063 443759261 /nfs/dbraw/zinc/75/92/61/443759261.db2.gz FCADCBABZULJSI-YSVLISHTSA-N 1 3 333.432 1.069 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000276595063 443759263 /nfs/dbraw/zinc/75/92/63/443759263.db2.gz FCADCBABZULJSI-YSVLISHTSA-N 1 3 333.432 1.069 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000288111934 443774822 /nfs/dbraw/zinc/77/48/22/443774822.db2.gz VPBFKADTSFWHDG-SZMVWBNQSA-N 1 3 348.491 1.119 20 0 EDADHO COc1cc(CN2CC[C@](C)(O)C2)cc(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000292751620 443835093 /nfs/dbraw/zinc/83/50/93/443835093.db2.gz WWPRYVSIJVRHCU-OALUTQOASA-N 1 3 334.460 1.609 20 0 EDADHO COc1cc(CN2CC[C@](C)(O)C2)cc(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000292751620 443835098 /nfs/dbraw/zinc/83/50/98/443835098.db2.gz WWPRYVSIJVRHCU-OALUTQOASA-N 1 3 334.460 1.609 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000282104029 444087415 /nfs/dbraw/zinc/08/74/15/444087415.db2.gz PKHFLDWQLLJANB-IBGZPJMESA-N 1 3 346.519 1.951 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000282104029 444087420 /nfs/dbraw/zinc/08/74/20/444087420.db2.gz PKHFLDWQLLJANB-IBGZPJMESA-N 1 3 346.519 1.951 20 0 EDADHO CC[NH2+]CCCNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000568288225 321286189 /nfs/dbraw/zinc/28/61/89/321286189.db2.gz XSFLHVVMJWCWRY-GOSISDBHSA-N 1 3 332.492 1.944 20 0 EDADHO Cc1cc(NC(=O)CC[N@@H+](C)CCCN(C)CCN(C)C)no1 ZINC000289414000 444135740 /nfs/dbraw/zinc/13/57/40/444135740.db2.gz MAUNJYDTGBVDCX-UHFFFAOYSA-N 1 3 325.457 1.127 20 0 EDADHO Cc1cc(NC(=O)CC[N@H+](C)CCCN(C)CCN(C)C)no1 ZINC000289414000 444135745 /nfs/dbraw/zinc/13/57/45/444135745.db2.gz MAUNJYDTGBVDCX-UHFFFAOYSA-N 1 3 325.457 1.127 20 0 EDADHO COc1ccc(C[C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927207 444154954 /nfs/dbraw/zinc/15/49/54/444154954.db2.gz FCANUUOIDCBYEH-RHSMWYFYSA-N 1 3 336.476 1.990 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000290204190 444254281 /nfs/dbraw/zinc/25/42/81/444254281.db2.gz RQIFSCLOSDQLLH-QZTJIDSGSA-N 1 3 333.476 1.674 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268818 444236050 /nfs/dbraw/zinc/23/60/50/444236050.db2.gz JBHXIKLMDLRQEV-GJZGRUSLSA-N 1 3 327.513 1.704 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2CCNC2=O)CC1 ZINC000290432962 444280231 /nfs/dbraw/zinc/28/02/31/444280231.db2.gz VETOITNMMGNOHU-UHFFFAOYSA-N 1 3 330.476 1.856 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2CCNC2=O)CC1 ZINC000290432962 444280234 /nfs/dbraw/zinc/28/02/34/444280234.db2.gz VETOITNMMGNOHU-UHFFFAOYSA-N 1 3 330.476 1.856 20 0 EDADHO COCCOC[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224347 444293100 /nfs/dbraw/zinc/29/31/00/444293100.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 1 3 348.487 1.464 20 0 EDADHO COCCOC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224347 444293102 /nfs/dbraw/zinc/29/31/02/444293102.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 1 3 348.487 1.464 20 0 EDADHO CN(c1ccccc1CN1CC(CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000297517069 444295856 /nfs/dbraw/zinc/29/58/56/444295856.db2.gz XTTDKHFFXXZUQN-UHFFFAOYSA-N 1 3 330.476 1.524 20 0 EDADHO C[NH2+]CCC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000325833295 444369676 /nfs/dbraw/zinc/36/96/76/444369676.db2.gz UVZAQLHJPKXYJX-UHFFFAOYSA-N 1 3 329.444 1.994 20 0 EDADHO O=C(CN1CCCC1)N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000578778293 321831122 /nfs/dbraw/zinc/83/11/22/321831122.db2.gz PGHRGGFAEPMUSM-UHFFFAOYSA-N 1 3 342.487 1.072 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)CC1 ZINC000579588281 321950951 /nfs/dbraw/zinc/95/09/51/321950951.db2.gz HCKANDOBBPFBCD-VQIMIIECSA-N 1 3 344.503 1.947 20 0 EDADHO CCN1CCN(CCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499353 /nfs/dbraw/zinc/49/93/53/444499353.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(CCC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499355 /nfs/dbraw/zinc/49/93/55/444499355.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000580832238 322101253 /nfs/dbraw/zinc/10/12/53/322101253.db2.gz TXPJSRDZJDTCGR-MPGHIAIKSA-N 1 3 334.464 1.048 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188237 322146708 /nfs/dbraw/zinc/14/67/08/322146708.db2.gz UNWJOWVVDCGBLC-SFHVURJKSA-N 1 3 330.476 1.890 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581380228 322171200 /nfs/dbraw/zinc/17/12/00/322171200.db2.gz MEGYNPKGCISWRR-IRXDYDNUSA-N 1 3 339.505 1.874 20 0 EDADHO C[C@H]1OCC[C@@]1(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332867947 444580007 /nfs/dbraw/zinc/58/00/07/444580007.db2.gz LYZVYKNIDALGJT-RDTXWAMCSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(NCCNc1ccncc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000340948426 444591009 /nfs/dbraw/zinc/59/10/09/444591009.db2.gz KHHCPKVHEVHIGD-UHFFFAOYSA-N 1 3 338.455 1.944 20 0 EDADHO COCCCN(C)CCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679694 /nfs/dbraw/zinc/67/96/94/444679694.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 1 3 328.501 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679698 /nfs/dbraw/zinc/67/96/98/444679698.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123067 444640473 /nfs/dbraw/zinc/64/04/73/444640473.db2.gz ASIMQTWSLJHAQG-IEAZIUSSSA-N 1 3 336.480 1.007 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)CC(F)(F)F ZINC000344157671 444812556 /nfs/dbraw/zinc/81/25/56/444812556.db2.gz WDYQHQQIYCDCCX-AWEZNQCLSA-N 1 3 325.419 1.649 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)CC(F)(F)F ZINC000344157671 444812559 /nfs/dbraw/zinc/81/25/59/444812559.db2.gz WDYQHQQIYCDCCX-AWEZNQCLSA-N 1 3 325.419 1.649 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000341420380 444819749 /nfs/dbraw/zinc/81/97/49/444819749.db2.gz IKCYLKOOZJNBHQ-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO COc1cc(C)c(C[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000337382826 445056965 /nfs/dbraw/zinc/05/69/65/445056965.db2.gz JUTPAPJXVZHLFZ-HNNXBMFYSA-N 1 3 336.476 1.990 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000341994220 445112170 /nfs/dbraw/zinc/11/21/70/445112170.db2.gz LHOXBVBHBBXMPZ-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343177388 445118083 /nfs/dbraw/zinc/11/80/83/445118083.db2.gz KCFBQWAGEKAOJC-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346225540 445208912 /nfs/dbraw/zinc/20/89/12/445208912.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346225540 445208913 /nfs/dbraw/zinc/20/89/13/445208913.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)N(C)C1 ZINC000346248459 445209163 /nfs/dbraw/zinc/20/91/63/445209163.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)N(C)C1 ZINC000346248459 445209165 /nfs/dbraw/zinc/20/91/65/445209165.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 1 3 340.512 1.610 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000347519657 445240707 /nfs/dbraw/zinc/24/07/07/445240707.db2.gz QSUKPVIDAKBSQX-HOTGVXAUSA-N 1 3 326.485 1.221 20 0 EDADHO Cc1nc2c(n1[C@H]1CCN(C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247073 /nfs/dbraw/zinc/24/70/73/445247073.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CCN(C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626323 445247075 /nfs/dbraw/zinc/24/70/75/445247075.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CC[N@@H+](C[C@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626323 445247077 /nfs/dbraw/zinc/24/70/77/445247077.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CC[N@H+](C[C@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626323 445247080 /nfs/dbraw/zinc/24/70/80/445247080.db2.gz FOTNAAGMPZIFBE-DLBZAZTESA-N 1 3 332.492 1.772 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)CN1CCOCC1 ZINC000348324472 445257118 /nfs/dbraw/zinc/25/71/18/445257118.db2.gz XTSGQFRVXNOTKD-OKZBNKHCSA-N 1 3 327.513 1.170 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348324472 445257120 /nfs/dbraw/zinc/25/71/20/445257120.db2.gz XTSGQFRVXNOTKD-OKZBNKHCSA-N 1 3 327.513 1.170 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000351779063 445318508 /nfs/dbraw/zinc/31/85/08/445318508.db2.gz JEOFMRTULKEJCY-OAGGEKHMSA-N 1 3 339.480 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000351779063 445318511 /nfs/dbraw/zinc/31/85/11/445318511.db2.gz JEOFMRTULKEJCY-OAGGEKHMSA-N 1 3 339.480 1.060 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000359728725 445396003 /nfs/dbraw/zinc/39/60/03/445396003.db2.gz QGXQDKSMHSBWFZ-OAHLLOKOSA-N 1 3 349.479 1.115 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000359728725 445396007 /nfs/dbraw/zinc/39/60/07/445396007.db2.gz QGXQDKSMHSBWFZ-OAHLLOKOSA-N 1 3 349.479 1.115 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOC3CNC3)cc2)C1 ZINC000349004355 445472931 /nfs/dbraw/zinc/47/29/31/445472931.db2.gz RPGIAWHOKRMMPF-HNNXBMFYSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCOC3CNC3)cc2)C1 ZINC000349004355 445472932 /nfs/dbraw/zinc/47/29/32/445472932.db2.gz RPGIAWHOKRMMPF-HNNXBMFYSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H]1[NH+](C)C ZINC000362656586 445481693 /nfs/dbraw/zinc/48/16/93/445481693.db2.gz SAGVIQKYGWPUJO-NJAFHUGGSA-N 1 3 332.492 1.751 20 0 EDADHO C[C@@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234941 445541316 /nfs/dbraw/zinc/54/13/16/445541316.db2.gz FHHGBEFRBQNPGE-HNNXBMFYSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358515743 445627630 /nfs/dbraw/zinc/62/76/30/445627630.db2.gz AUVLPOAPLMBFBG-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010403 445648638 /nfs/dbraw/zinc/64/86/38/445648638.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010403 445648645 /nfs/dbraw/zinc/64/86/45/445648645.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 1 3 338.496 1.269 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353588916 445669069 /nfs/dbraw/zinc/66/90/69/445669069.db2.gz OEPWJOMGRIRACT-RCCFBDPRSA-N 1 3 345.487 1.816 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000349963226 445736079 /nfs/dbraw/zinc/73/60/79/445736079.db2.gz IBBZXWLJIFATSP-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)N(C)Cc1ccccc1 ZINC000349983923 445741527 /nfs/dbraw/zinc/74/15/27/445741527.db2.gz CLFCRURYARLKGE-INIZCTEOSA-N 1 3 341.459 1.735 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000353773545 445748393 /nfs/dbraw/zinc/74/83/93/445748393.db2.gz OQRMEAHYODLFHA-LJQANCHMSA-N 1 3 348.535 1.347 20 0 EDADHO C[C@H]1C[C@H](C(=O)NCc2ccncc2OCCN(C)C)CC[N@@H+]1C ZINC000356489197 445818672 /nfs/dbraw/zinc/81/86/72/445818672.db2.gz YJLXZIXRSDUDQO-LSDHHAIUSA-N 1 3 334.464 1.369 20 0 EDADHO C[C@H]1C[C@H](C(=O)NCc2ccncc2OCCN(C)C)CC[N@H+]1C ZINC000356489197 445818678 /nfs/dbraw/zinc/81/86/78/445818678.db2.gz YJLXZIXRSDUDQO-LSDHHAIUSA-N 1 3 334.464 1.369 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786952 /nfs/dbraw/zinc/78/69/52/445786952.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 1 3 338.540 1.782 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786957 /nfs/dbraw/zinc/78/69/57/445786957.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC000353873684 445792454 /nfs/dbraw/zinc/79/24/54/445792454.db2.gz WRGJUBWBJOSCLE-NEWSRXKRSA-N 1 3 348.535 1.345 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000353887480 445798666 /nfs/dbraw/zinc/79/86/66/445798666.db2.gz JMTOEEXJFHRMEK-LSDHHAIUSA-N 1 3 347.463 1.405 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000353887480 445798670 /nfs/dbraw/zinc/79/86/70/445798670.db2.gz JMTOEEXJFHRMEK-LSDHHAIUSA-N 1 3 347.463 1.405 20 0 EDADHO C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000356459290 445801774 /nfs/dbraw/zinc/80/17/74/445801774.db2.gz OARQOGFFROTOLH-XHSDSOJGSA-N 1 3 348.491 1.900 20 0 EDADHO CC[NH2+][C@@H](C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000358925381 445851751 /nfs/dbraw/zinc/85/17/51/445851751.db2.gz DYPVFORMCYVJGR-KRWDZBQOSA-N 1 3 332.492 1.703 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+]2CCC(OCCO)CC2)CC1 ZINC000354025586 445861049 /nfs/dbraw/zinc/86/10/49/445861049.db2.gz GGOIUMCWZOTTOB-UHFFFAOYSA-N 1 3 347.503 1.802 20 0 EDADHO CCn1nc(C)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000354041017 445870762 /nfs/dbraw/zinc/87/07/62/445870762.db2.gz QJYISPMMNGCMEG-KXBFYZLASA-N 1 3 333.524 1.978 20 0 EDADHO CCn1nc(C)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1C ZINC000354041017 445870767 /nfs/dbraw/zinc/87/07/67/445870767.db2.gz QJYISPMMNGCMEG-KXBFYZLASA-N 1 3 333.524 1.978 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000356639744 445904482 /nfs/dbraw/zinc/90/44/82/445904482.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 1 3 325.497 1.866 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000356639744 445904487 /nfs/dbraw/zinc/90/44/87/445904487.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 1 3 325.497 1.866 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365921979 445907632 /nfs/dbraw/zinc/90/76/32/445907632.db2.gz CUZGYARCSDGNTB-LTIDMASMSA-N 1 3 336.480 1.118 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365921979 445907636 /nfs/dbraw/zinc/90/76/36/445907636.db2.gz CUZGYARCSDGNTB-LTIDMASMSA-N 1 3 336.480 1.118 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)[C@H](C)C1 ZINC000361876295 446033421 /nfs/dbraw/zinc/03/34/21/446033421.db2.gz DRIQFPPZPUHKMW-SJORKVTESA-N 1 3 327.513 1.170 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000583630224 326108120 /nfs/dbraw/zinc/10/81/20/326108120.db2.gz PGLFVNSWJSFNTO-OKZBNKHCSA-N 1 3 349.450 1.613 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COC2CCOCC2)c1 ZINC000583807468 326143593 /nfs/dbraw/zinc/14/35/93/326143593.db2.gz MXGCIHBHGKVDGJ-SFHVURJKSA-N 1 3 336.476 1.784 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COC2CCOCC2)c1 ZINC000583807468 326143597 /nfs/dbraw/zinc/14/35/97/326143597.db2.gz MXGCIHBHGKVDGJ-SFHVURJKSA-N 1 3 336.476 1.784 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665818 446144965 /nfs/dbraw/zinc/14/49/65/446144965.db2.gz SYJYVHZVSNTEHW-HOCLYGCPSA-N 1 3 346.479 1.850 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665818 446144969 /nfs/dbraw/zinc/14/49/69/446144969.db2.gz SYJYVHZVSNTEHW-HOCLYGCPSA-N 1 3 346.479 1.850 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000365557270 446254353 /nfs/dbraw/zinc/25/43/53/446254353.db2.gz NTKRYDXYKZETAT-LBPRGKRZSA-N 1 3 328.420 1.649 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581065 446267598 /nfs/dbraw/zinc/26/75/98/446267598.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 1 3 348.535 1.489 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581065 446267601 /nfs/dbraw/zinc/26/76/01/446267601.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 1 3 348.535 1.489 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1OCCN(C)C ZINC000417362383 446348443 /nfs/dbraw/zinc/34/84/43/446348443.db2.gz LDYQMCARYCLDTK-INIZCTEOSA-N 1 3 336.480 1.800 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717547 446370659 /nfs/dbraw/zinc/37/06/59/446370659.db2.gz VFCJMZSSRBWGOM-IRXDYDNUSA-N 1 3 334.464 1.487 20 0 EDADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000370682225 446384461 /nfs/dbraw/zinc/38/44/61/446384461.db2.gz MXOIGBMRNRXOKK-RCCFBDPRSA-N 1 3 327.513 1.434 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1COC(C)(C)C1 ZINC000417959127 446400844 /nfs/dbraw/zinc/40/08/44/446400844.db2.gz WCCHATDJMMWRPH-SJORKVTESA-N 1 3 333.476 1.433 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000417951995 446397367 /nfs/dbraw/zinc/39/73/67/446397367.db2.gz NVIWQUXDENOEIJ-GDBMZVCRSA-N 1 3 349.479 1.291 20 0 EDADHO CCN(CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CC1 ZINC000411239973 446440352 /nfs/dbraw/zinc/44/03/52/446440352.db2.gz GYOYEJULRSGFGL-UHFFFAOYSA-N 1 3 346.475 1.596 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132016 446441171 /nfs/dbraw/zinc/44/11/71/446441171.db2.gz DJPBSXFTURZSSY-ROUUACIJSA-N 1 3 330.476 1.948 20 0 EDADHO CCOc1cc2[nH+]ccc(NC[C@@H]3CNCCO3)c2cc1OCC ZINC000420270224 446441348 /nfs/dbraw/zinc/44/13/48/446441348.db2.gz AEDGNNGLVTZLLW-ZDUSSCGKSA-N 1 3 331.416 1.854 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000418138616 446442437 /nfs/dbraw/zinc/44/24/37/446442437.db2.gz JJKJTJURKLUGGE-ZWKOTPCHSA-N 1 3 330.476 1.934 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H]2C[C@@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161284 446443456 /nfs/dbraw/zinc/44/34/56/446443456.db2.gz IPLGKYWCLBNHRZ-KKUMJFAQSA-N 1 3 337.464 1.051 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736487 446408790 /nfs/dbraw/zinc/40/87/90/446408790.db2.gz DGSWCEBQQNGBLN-SJORKVTESA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736487 446408798 /nfs/dbraw/zinc/40/87/98/446408798.db2.gz DGSWCEBQQNGBLN-SJORKVTESA-N 1 3 344.459 1.430 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C[NH3+] ZINC000420298322 446462582 /nfs/dbraw/zinc/46/25/82/446462582.db2.gz ZWMDDUDHDHFZTC-NJAFHUGGSA-N 1 3 332.492 1.465 20 0 EDADHO C[NH2+]CC1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000420305155 446467871 /nfs/dbraw/zinc/46/78/71/446467871.db2.gz YSAJVCZMTTUUIC-SFHVURJKSA-N 1 3 332.492 1.337 20 0 EDADHO CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423285325 446472464 /nfs/dbraw/zinc/47/24/64/446472464.db2.gz ZCZZIFKGIJWZLW-DUVNUKRYSA-N 1 3 325.478 1.763 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315350 446479511 /nfs/dbraw/zinc/47/95/11/446479511.db2.gz LXDGQIMFMMPGRM-ZWKOTPCHSA-N 1 3 332.492 1.609 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc12 ZINC000420334466 446504071 /nfs/dbraw/zinc/50/40/71/446504071.db2.gz GLJBVHPSAXQZME-HOTGVXAUSA-N 1 3 326.444 1.824 20 0 EDADHO COc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342310 446513029 /nfs/dbraw/zinc/51/30/29/446513029.db2.gz PGNADXYOAYYVJC-IAGOWNOFSA-N 1 3 331.460 1.633 20 0 EDADHO Cn1cc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423392130 446515141 /nfs/dbraw/zinc/51/51/41/446515141.db2.gz XLXNHRQHPYLWTB-CABCVRRESA-N 1 3 345.491 1.634 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343875 446515748 /nfs/dbraw/zinc/51/57/48/446515748.db2.gz RQCKBHQNDOVLKA-FVQBIDKESA-N 1 3 344.459 1.434 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418325326 446498375 /nfs/dbraw/zinc/49/83/75/446498375.db2.gz IVPOHVRMPVCFFL-KRWDZBQOSA-N 1 3 333.480 1.545 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418325326 446498380 /nfs/dbraw/zinc/49/83/80/446498380.db2.gz IVPOHVRMPVCFFL-KRWDZBQOSA-N 1 3 333.480 1.545 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358921 446499424 /nfs/dbraw/zinc/49/94/24/446499424.db2.gz OGRBWXZUJLYAOP-XLMAVXFVSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000420330893 446500944 /nfs/dbraw/zinc/50/09/44/446500944.db2.gz IJVVFLPLGJHHLU-NJAFHUGGSA-N 1 3 332.492 1.465 20 0 EDADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418381658 446523174 /nfs/dbraw/zinc/52/31/74/446523174.db2.gz MGIGBNIWZHXYLF-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CC1(C)CNCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420353073 446531050 /nfs/dbraw/zinc/53/10/50/446531050.db2.gz BIEYSTRUMFGQJN-HNNXBMFYSA-N 1 3 328.453 1.967 20 0 EDADHO C[C@@H](C(=O)N(C)c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000411426933 446536453 /nfs/dbraw/zinc/53/64/53/446536453.db2.gz NRNFGFKEPILCCE-KRWDZBQOSA-N 1 3 332.492 1.607 20 0 EDADHO C[C@H](CCN1CCSC[C@H]1CO)CC[N@@H+]1CCSC[C@@H]1CO ZINC000411432963 446539777 /nfs/dbraw/zinc/53/97/77/446539777.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 1 3 348.578 1.222 20 0 EDADHO C[C@H](CCN1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000411432963 446539782 /nfs/dbraw/zinc/53/97/82/446539782.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 1 3 348.578 1.222 20 0 EDADHO C[C@@H](CCN1CCSC[C@@H]1CO)CC[N@@H+]1CCSC[C@H]1CO ZINC000411432963 446539786 /nfs/dbraw/zinc/53/97/86/446539786.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 1 3 348.578 1.222 20 0 EDADHO C[C@@H](CCN1CCSC[C@@H]1CO)CC[N@H+]1CCSC[C@H]1CO ZINC000411432963 446539791 /nfs/dbraw/zinc/53/97/91/446539791.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 1 3 348.578 1.222 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418431982 446542467 /nfs/dbraw/zinc/54/24/67/446542467.db2.gz TWQDBMGOUPKHNH-GJZGRUSLSA-N 1 3 347.463 1.439 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000418459349 446549928 /nfs/dbraw/zinc/54/99/28/446549928.db2.gz YANDQAHLZYEVTB-XYPWUTKMSA-N 1 3 334.464 1.944 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379598 446555571 /nfs/dbraw/zinc/55/55/71/446555571.db2.gz XRONQGLLEXSQSS-OALUTQOASA-N 1 3 346.519 1.903 20 0 EDADHO [NH3+]CC1(O)CCN(CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000420403485 446577200 /nfs/dbraw/zinc/57/72/00/446577200.db2.gz LCSYVHPDBSPRBH-KRWDZBQOSA-N 1 3 331.460 1.356 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418555385 446592212 /nfs/dbraw/zinc/59/22/12/446592212.db2.gz DOPYDYYDGXUUAX-XKQJLSEDSA-N 1 3 334.464 1.595 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418587660 446603411 /nfs/dbraw/zinc/60/34/11/446603411.db2.gz GYUSWPRIXSBZGE-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO COC[C@]1(CNC(=O)NCCN2CCCC(C)(C)C2)CCC[NH2+]1 ZINC000418658006 446637062 /nfs/dbraw/zinc/63/70/62/446637062.db2.gz SCQUPXFSMMSCMK-QGZVFWFLSA-N 1 3 326.485 1.176 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000418661075 446638331 /nfs/dbraw/zinc/63/83/31/446638331.db2.gz ZVHGZDMXFTVZDJ-HLLBOEOZSA-N 1 3 334.464 1.397 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418665166 446640927 /nfs/dbraw/zinc/64/09/27/446640927.db2.gz BXZMHGRYCKEAMI-QQXKLLMISA-N 1 3 340.471 1.368 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418723366 446656315 /nfs/dbraw/zinc/65/63/15/446656315.db2.gz NVTKNKNAKPEDEK-NCOADZHNSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H](NC(=O)CCOC1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423882860 446740126 /nfs/dbraw/zinc/74/01/26/446740126.db2.gz XINCXCKDQLKARK-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H](NC(=O)CCOC1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423882860 446740135 /nfs/dbraw/zinc/74/01/35/446740135.db2.gz XINCXCKDQLKARK-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)COC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000423902826 446754682 /nfs/dbraw/zinc/75/46/82/446754682.db2.gz MMGXVNBSINBXCK-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)COC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000423902826 446754687 /nfs/dbraw/zinc/75/46/87/446754687.db2.gz MMGXVNBSINBXCK-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390624 446766881 /nfs/dbraw/zinc/76/68/81/446766881.db2.gz HQJCXSUNNKGUIP-SJORKVTESA-N 1 3 343.537 1.102 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390624 446766887 /nfs/dbraw/zinc/76/68/87/446766887.db2.gz HQJCXSUNNKGUIP-SJORKVTESA-N 1 3 343.537 1.102 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037644 446829400 /nfs/dbraw/zinc/82/94/00/446829400.db2.gz KGPODZHGUORVGD-SHWZHROSSA-N 1 3 331.435 2.000 20 0 EDADHO CO[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427001 446857186 /nfs/dbraw/zinc/85/71/86/446857186.db2.gz PRIWRNVGVIPPGC-ZWKOTPCHSA-N 1 3 333.476 1.906 20 0 EDADHO [NH3+]C[C@H](CN1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259594 446865906 /nfs/dbraw/zinc/86/59/06/446865906.db2.gz AMXUKQUTLQBTSZ-IAGOWNOFSA-N 1 3 348.466 1.012 20 0 EDADHO CC(=O)N1CC[C@H](NCCC[NH+]2CCC(O)CC2)c2ccccc2C1 ZINC000371493794 446891927 /nfs/dbraw/zinc/89/19/27/446891927.db2.gz UITRWGZGCXZNPR-FQEVSTJZSA-N 1 3 345.487 1.916 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059138 447002237 /nfs/dbraw/zinc/00/22/37/447002237.db2.gz MCIAXKLYNWTZEH-OAHLLOKOSA-N 1 3 349.475 1.723 20 0 EDADHO O[C@H]1CN(Cc2cccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787440 447104962 /nfs/dbraw/zinc/10/49/62/447104962.db2.gz VXQGFBBQEPVBIM-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1CN(Cc2cccc(C[N@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787440 447104968 /nfs/dbraw/zinc/10/49/68/447104968.db2.gz VXQGFBBQEPVBIM-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO CCOC(C)(C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000444131143 447077574 /nfs/dbraw/zinc/07/75/74/447077574.db2.gz XAGAYYFHYSMSJY-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO CCOC(C)(C)CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000444131143 447077581 /nfs/dbraw/zinc/07/75/81/447077581.db2.gz XAGAYYFHYSMSJY-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536795 447188872 /nfs/dbraw/zinc/18/88/72/447188872.db2.gz WYZSGTNYQUEABA-IRXDYDNUSA-N 1 3 347.459 1.295 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536795 447188874 /nfs/dbraw/zinc/18/88/74/447188874.db2.gz WYZSGTNYQUEABA-IRXDYDNUSA-N 1 3 347.459 1.295 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000455664387 447202260 /nfs/dbraw/zinc/20/22/60/447202260.db2.gz GBBLISMWOIALHH-UHFFFAOYSA-N 1 3 344.463 1.828 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000379681204 447454220 /nfs/dbraw/zinc/45/42/20/447454220.db2.gz PQQHWMHOZZIOFH-NVXWUHKLSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000379681204 447454229 /nfs/dbraw/zinc/45/42/29/447454229.db2.gz PQQHWMHOZZIOFH-NVXWUHKLSA-N 1 3 331.460 1.534 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CCCCN1C1CC1 ZINC000458707006 447457994 /nfs/dbraw/zinc/45/79/94/447457994.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CCCCN1C1CC1 ZINC000458707006 447457999 /nfs/dbraw/zinc/45/79/99/447457999.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(CN1CCNCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391015707 447508746 /nfs/dbraw/zinc/50/87/46/447508746.db2.gz YGJYOXNZQRESDR-YQQQUEKLSA-N 1 3 342.487 1.203 20 0 EDADHO O=C(CN1CCNCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000391015707 447508749 /nfs/dbraw/zinc/50/87/49/447508749.db2.gz YGJYOXNZQRESDR-YQQQUEKLSA-N 1 3 342.487 1.203 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2CCO)CCCC1 ZINC000457436738 447580842 /nfs/dbraw/zinc/58/08/42/447580842.db2.gz KFPYTXYPMAXDMV-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000420122910 447616365 /nfs/dbraw/zinc/61/63/65/447616365.db2.gz LGKWIQDSHKWHSP-XKQJLSEDSA-N 1 3 344.459 1.018 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420129453 447621671 /nfs/dbraw/zinc/62/16/71/447621671.db2.gz UZIACDOAJQTHQS-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422589670 447657815 /nfs/dbraw/zinc/65/78/15/447657815.db2.gz JTNPHEFSKHJNTO-KRWDZBQOSA-N 1 3 330.476 1.697 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2ccc(N(C)C)nc2)CC[NH2+]CC1 ZINC000422836982 447764488 /nfs/dbraw/zinc/76/44/88/447764488.db2.gz SKZRPFZIZYLIEJ-AWEZNQCLSA-N 1 3 334.464 1.559 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422824067 447760739 /nfs/dbraw/zinc/76/07/39/447760739.db2.gz GDZIAERHEOQDII-HUUCEWRRSA-N 1 3 336.480 1.738 20 0 EDADHO CC[C@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422963777 447782512 /nfs/dbraw/zinc/78/25/12/447782512.db2.gz JLYMXEXSUMHREY-IRXDYDNUSA-N 1 3 345.553 1.947 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422985750 447787560 /nfs/dbraw/zinc/78/75/60/447787560.db2.gz ADVDWOODUVZQAK-DRZSPHRISA-N 1 3 333.354 1.821 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)C(C)(C)C[NH3+])CC2)c1 ZINC000431022137 447789791 /nfs/dbraw/zinc/78/97/91/447789791.db2.gz FUFQCYQWJDPHRZ-UHFFFAOYSA-N 1 3 346.519 1.998 20 0 EDADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCCO1 ZINC000423080314 447801139 /nfs/dbraw/zinc/80/11/39/447801139.db2.gz ZNMRUULGAZSPGZ-XDNAFOTISA-N 1 3 325.497 1.234 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CC3CCC(=O)CC3)CC2)CC1 ZINC000530505917 447901481 /nfs/dbraw/zinc/90/14/81/447901481.db2.gz QRHAOODLYQNDNE-UHFFFAOYSA-N 1 3 335.492 1.811 20 0 EDADHO CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956249 /nfs/dbraw/zinc/95/62/49/447956249.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 1 3 348.466 1.139 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576211661 447999808 /nfs/dbraw/zinc/99/98/08/447999808.db2.gz UGEONEBNXUUMEB-BPQIPLTHSA-N 1 3 345.491 1.025 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531293687 448056610 /nfs/dbraw/zinc/05/66/10/448056610.db2.gz GVCWFZDBIITQFA-HXUWFJFHSA-N 1 3 345.487 1.424 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)N(C)C1 ZINC000501047577 448090769 /nfs/dbraw/zinc/09/07/69/448090769.db2.gz SZQYPRDGPPAGJC-QAETUUGQSA-N 1 3 340.512 1.610 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531691614 448128602 /nfs/dbraw/zinc/12/86/02/448128602.db2.gz PCKPQPIOPDARIT-UHFFFAOYSA-N 1 3 332.496 1.061 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CN1Cc1ccccc1 ZINC000571625461 448181032 /nfs/dbraw/zinc/18/10/32/448181032.db2.gz CSOJQAIPNJHKDI-NXHRZFHOSA-N 1 3 346.475 1.327 20 0 EDADHO CC[NH+]1CCC(NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532217420 448217760 /nfs/dbraw/zinc/21/77/60/448217760.db2.gz DRFVZLKYVKIAEJ-GOSISDBHSA-N 1 3 330.432 1.315 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000532463495 448263003 /nfs/dbraw/zinc/26/30/03/448263003.db2.gz FTMMNOYUBLGDDY-RDJZCZTQSA-N 1 3 325.460 2.485 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000532463495 448263009 /nfs/dbraw/zinc/26/30/09/448263009.db2.gz FTMMNOYUBLGDDY-RDJZCZTQSA-N 1 3 325.460 2.485 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000591281834 448305477 /nfs/dbraw/zinc/30/54/77/448305477.db2.gz OATHNBYKDOGKQZ-INIZCTEOSA-N 1 3 334.464 1.683 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342085 /nfs/dbraw/zinc/34/20/85/448342085.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 1 3 344.503 1.451 20 0 EDADHO NCc1cc(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)co1 ZINC000582904140 448374688 /nfs/dbraw/zinc/37/46/88/448374688.db2.gz CXBOQYWDXCDNQD-UHFFFAOYSA-N 1 3 342.443 1.462 20 0 EDADHO CC[C@H]1COCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516660643 448459506 /nfs/dbraw/zinc/45/95/06/448459506.db2.gz DBXRQCDMRQNZGE-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)N(C)C ZINC000516857100 448483294 /nfs/dbraw/zinc/48/32/94/448483294.db2.gz QWLCZGLFLWUVCR-XIRDDKMYSA-N 1 3 334.464 1.356 20 0 EDADHO CCn1ccc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n1 ZINC000584540220 448565568 /nfs/dbraw/zinc/56/55/68/448565568.db2.gz RCANMLNORBYMKZ-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517368458 448575935 /nfs/dbraw/zinc/57/59/35/448575935.db2.gz ILSFDJZCCYZURF-KSZLIROESA-N 1 3 328.460 1.647 20 0 EDADHO CC[NH2+]CCCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000584519452 448553830 /nfs/dbraw/zinc/55/38/30/448553830.db2.gz NDTRGNYUOCSNNN-UHFFFAOYSA-N 1 3 347.507 1.730 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000578746103 448625605 /nfs/dbraw/zinc/62/56/05/448625605.db2.gz YTXPMROMBBIRDK-JENIJYKNSA-N 1 3 336.524 1.156 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573428491 448622925 /nfs/dbraw/zinc/62/29/25/448622925.db2.gz MWKUYCJMWVYCDE-SZMVWBNQSA-N 1 3 330.476 1.948 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000566981177 448596432 /nfs/dbraw/zinc/59/64/32/448596432.db2.gz ZYWNRHHXUSVSAG-GJZGRUSLSA-N 1 3 326.485 1.175 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000566981177 448596433 /nfs/dbraw/zinc/59/64/33/448596433.db2.gz ZYWNRHHXUSVSAG-GJZGRUSLSA-N 1 3 326.485 1.175 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)CC1 ZINC000578907123 448669375 /nfs/dbraw/zinc/66/93/75/448669375.db2.gz VAOWQBZSJWECPS-DOTOQJQBSA-N 1 3 335.492 1.236 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CNCc2ccccc21 ZINC000578765316 448633172 /nfs/dbraw/zinc/63/31/72/448633172.db2.gz SJYMZTISJBRPDK-GOSISDBHSA-N 1 3 343.471 1.635 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000579328669 448767501 /nfs/dbraw/zinc/76/75/01/448767501.db2.gz KGHPXVGKKFDWJW-CABCVRRESA-N 1 3 332.448 1.700 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)c1ccccc1 ZINC000585693986 448739578 /nfs/dbraw/zinc/73/95/78/448739578.db2.gz DBLVQZURSSRRKL-IBGZPJMESA-N 1 3 346.519 1.997 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CN(C)c1ccccc1 ZINC000585693986 448739583 /nfs/dbraw/zinc/73/95/83/448739583.db2.gz DBLVQZURSSRRKL-IBGZPJMESA-N 1 3 346.519 1.997 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000529291262 448808657 /nfs/dbraw/zinc/80/86/57/448808657.db2.gz ORLWQLANIJLTNK-KRWDZBQOSA-N 1 3 346.475 1.458 20 0 EDADHO COC[C@@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000574392068 448862329 /nfs/dbraw/zinc/86/23/29/448862329.db2.gz AZKSUOJLZLHQAZ-GOSISDBHSA-N 1 3 332.448 1.040 20 0 EDADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739586 448944168 /nfs/dbraw/zinc/94/41/68/448944168.db2.gz RIMUENLBHMBIMK-KRWDZBQOSA-N 1 3 337.431 1.964 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739586 448944173 /nfs/dbraw/zinc/94/41/73/448944173.db2.gz RIMUENLBHMBIMK-KRWDZBQOSA-N 1 3 337.431 1.964 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739586 448944179 /nfs/dbraw/zinc/94/41/79/448944179.db2.gz RIMUENLBHMBIMK-KRWDZBQOSA-N 1 3 337.431 1.964 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000574986166 449005943 /nfs/dbraw/zinc/00/59/43/449005943.db2.gz YAYDEKWXQJMFAP-UHFFFAOYSA-N 1 3 344.459 1.451 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956832 449077411 /nfs/dbraw/zinc/07/74/11/449077411.db2.gz ZPQBCXQLRFMNKN-DOTOQJQBSA-N 1 3 341.459 1.752 20 0 EDADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172897 449053324 /nfs/dbraw/zinc/05/33/24/449053324.db2.gz SNDNNAOHNMKUQP-RDGPPVDQSA-N 1 3 337.508 1.111 20 0 EDADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172897 449053326 /nfs/dbraw/zinc/05/33/26/449053326.db2.gz SNDNNAOHNMKUQP-RDGPPVDQSA-N 1 3 337.508 1.111 20 0 EDADHO COc1ccc(CN2CC[C@@H]2C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000530241288 449092044 /nfs/dbraw/zinc/09/20/44/449092044.db2.gz PPOFLBZRBJSEEI-QZTJIDSGSA-N 1 3 333.476 1.316 20 0 EDADHO C[C@@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730815 449165360 /nfs/dbraw/zinc/16/53/60/449165360.db2.gz HLLAMUXFXKZCQD-MNOVXSKESA-N 1 3 338.374 1.214 20 0 EDADHO C[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCN ZINC000593730815 449165366 /nfs/dbraw/zinc/16/53/66/449165366.db2.gz HLLAMUXFXKZCQD-MNOVXSKESA-N 1 3 338.374 1.214 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCN ZINC000593730815 449165372 /nfs/dbraw/zinc/16/53/72/449165372.db2.gz HLLAMUXFXKZCQD-MNOVXSKESA-N 1 3 338.374 1.214 20 0 EDADHO CN1CCC(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000617111122 449463071 /nfs/dbraw/zinc/46/30/71/449463071.db2.gz ICNQKUNGZUJWBD-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112601 449464181 /nfs/dbraw/zinc/46/41/81/449464181.db2.gz COEWENSICNWBID-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]CC1 ZINC000600713314 449511588 /nfs/dbraw/zinc/51/15/88/449511588.db2.gz HQIIPBPOTONMLE-DZGCQCFKSA-N 1 3 337.464 1.051 20 0 EDADHO CC(=O)Nc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000607229144 449588328 /nfs/dbraw/zinc/58/83/28/449588328.db2.gz FOOAKLKMQUQHGT-UHFFFAOYSA-N 1 3 349.479 1.280 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617506651 449654785 /nfs/dbraw/zinc/65/47/85/449654785.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-n2ccnc2)ccn1 ZINC000617506651 449654791 /nfs/dbraw/zinc/65/47/91/449654791.db2.gz VFVJWQPENZJHRH-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO COC(=O)c1[nH]c(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000602534433 449656634 /nfs/dbraw/zinc/65/66/34/449656634.db2.gz TZEOZIZUEVEYQP-UHFFFAOYSA-N 1 3 348.491 1.758 20 0 EDADHO COC(=O)c1csc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000602549113 449667705 /nfs/dbraw/zinc/66/77/05/449667705.db2.gz RDEWZPRCCANYIP-CQSZACIVSA-N 1 3 337.489 1.793 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000607690482 449636551 /nfs/dbraw/zinc/63/65/51/449636551.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000607690482 449636556 /nfs/dbraw/zinc/63/65/56/449636556.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754103 /nfs/dbraw/zinc/75/41/03/449754103.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 1 3 331.460 1.211 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754111 /nfs/dbraw/zinc/75/41/11/449754111.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 1 3 331.460 1.211 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612907164 449936963 /nfs/dbraw/zinc/93/69/63/449936963.db2.gz NQBMTNXZJCAXJF-IBGZPJMESA-N 1 3 346.475 1.711 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C3(CO)CC3)CC2)CC1 ZINC000617897378 449908332 /nfs/dbraw/zinc/90/83/32/449908332.db2.gz LHAZLVKHGHOXKW-OAHLLOKOSA-N 1 3 337.508 1.460 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965109 449960336 /nfs/dbraw/zinc/96/03/36/449960336.db2.gz XGYOQHSJZOHHHE-QGZVFWFLSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000612968715 449962695 /nfs/dbraw/zinc/96/26/95/449962695.db2.gz AWAJMYFJVCMVNX-NVXWUHKLSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000612976541 449966962 /nfs/dbraw/zinc/96/69/62/449966962.db2.gz ZJXZQHFRNSEDLQ-QGZVFWFLSA-N 1 3 342.487 1.527 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612977970 449968386 /nfs/dbraw/zinc/96/83/86/449968386.db2.gz RZFRBTXUHKIRQG-HNNXBMFYSA-N 1 3 336.505 1.963 20 0 EDADHO [NH3+]CCSCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000603261655 450190085 /nfs/dbraw/zinc/19/00/85/450190085.db2.gz SVLKSUAMRLLMRV-KRWDZBQOSA-N 1 3 347.488 1.107 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCOC2CCOCC2)[C@H](C)C1 ZINC000625333375 450298384 /nfs/dbraw/zinc/29/83/84/450298384.db2.gz XSVSUXOIGYJJSY-AEFFLSMTSA-N 1 3 328.497 1.909 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCOC2CCOCC2)[C@H](C)C1 ZINC000625333375 450298389 /nfs/dbraw/zinc/29/83/89/450298389.db2.gz XSVSUXOIGYJJSY-AEFFLSMTSA-N 1 3 328.497 1.909 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227707 450458975 /nfs/dbraw/zinc/45/89/75/450458975.db2.gz ZNZDIUZCFFQZMM-OFQRWUPVSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227707 450458978 /nfs/dbraw/zinc/45/89/78/450458978.db2.gz ZNZDIUZCFFQZMM-OFQRWUPVSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862308 450617757 /nfs/dbraw/zinc/61/77/57/450617757.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 1 3 327.436 1.105 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862308 450617763 /nfs/dbraw/zinc/61/77/63/450617763.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 1 3 327.436 1.105 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000631587292 450667318 /nfs/dbraw/zinc/66/73/18/450667318.db2.gz RCTLMPVPTVRTAD-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000631587292 450667326 /nfs/dbraw/zinc/66/73/26/450667326.db2.gz RCTLMPVPTVRTAD-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO C[C@@H](NCCOCCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000629542266 450729105 /nfs/dbraw/zinc/72/91/05/450729105.db2.gz XJRIUCCSZQTWGB-CQSZACIVSA-N 1 3 341.477 1.243 20 0 EDADHO O=C(CCCNC[C@@H](O)C[NH+]1CCCC1)N1CCc2ccccc21 ZINC000629562030 450737746 /nfs/dbraw/zinc/73/77/46/450737746.db2.gz MKWNXYMDETUNEI-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO C[NH2+]CCOCCN(C)CCOc1cccc(Br)c1 ZINC000629571398 450742906 /nfs/dbraw/zinc/74/29/06/450742906.db2.gz UMYIWHRZTRJWFT-UHFFFAOYSA-N 1 3 331.254 1.996 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)CCCN(C)C)C1 ZINC000631758046 450753488 /nfs/dbraw/zinc/75/34/88/450753488.db2.gz PPCQAHVKRUBCMO-IYBDPMFKSA-N 1 3 333.542 1.616 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)CCCN(C)C)C1 ZINC000631758046 450753491 /nfs/dbraw/zinc/75/34/91/450753491.db2.gz PPCQAHVKRUBCMO-IYBDPMFKSA-N 1 3 333.542 1.616 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000635223981 450765762 /nfs/dbraw/zinc/76/57/62/450765762.db2.gz OQEJPUWECPFQGI-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000635223981 450765764 /nfs/dbraw/zinc/76/57/64/450765764.db2.gz OQEJPUWECPFQGI-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000621699271 450840225 /nfs/dbraw/zinc/84/02/25/450840225.db2.gz QFHRIJSZTPMWJR-YLJYHZDGSA-N 1 3 342.487 1.539 20 0 EDADHO NC(=O)c1cc(F)ccc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621778412 450863637 /nfs/dbraw/zinc/86/36/37/450863637.db2.gz OZHUXYGBIQKDTF-AWEZNQCLSA-N 1 3 334.439 1.436 20 0 EDADHO CCCCN1CCCC[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917594 450877013 /nfs/dbraw/zinc/87/70/13/450877013.db2.gz SWMZLJYBGOZAKK-INIZCTEOSA-N 1 3 346.541 1.159 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631949717 450907954 /nfs/dbraw/zinc/90/79/54/450907954.db2.gz NEGYTGRWUCQJFT-QGZVFWFLSA-N 1 3 343.537 1.514 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930324 /nfs/dbraw/zinc/93/03/24/450930324.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 1 3 345.487 1.744 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930328 /nfs/dbraw/zinc/93/03/28/450930328.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 1 3 345.487 1.744 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000626928681 451011523 /nfs/dbraw/zinc/01/15/23/451011523.db2.gz GJTWGEKRCZTVPV-SMDDNHRTSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000626984782 451051964 /nfs/dbraw/zinc/05/19/64/451051964.db2.gz KVHPZPWBIXYXHN-PBHICJAKSA-N 1 3 330.476 1.525 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999405 451065027 /nfs/dbraw/zinc/06/50/27/451065027.db2.gz ZCTCOKJEFNWVLX-RFHZTLPTSA-N 1 3 348.413 1.638 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000627124174 451137982 /nfs/dbraw/zinc/13/79/82/451137982.db2.gz LXQZODVLAKEASR-QRVBRYPASA-N 1 3 345.487 1.295 20 0 EDADHO C[N@H+]1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000627124174 451137986 /nfs/dbraw/zinc/13/79/86/451137986.db2.gz LXQZODVLAKEASR-QRVBRYPASA-N 1 3 345.487 1.295 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627127951 451141046 /nfs/dbraw/zinc/14/10/46/451141046.db2.gz AQQSLDJWAQADIM-SJORKVTESA-N 1 3 346.475 1.882 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635657915 451143714 /nfs/dbraw/zinc/14/37/14/451143714.db2.gz GKQPDBAVBBKLMC-QZTJIDSGSA-N 1 3 337.508 1.724 20 0 EDADHO [NH3+]CCCOCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000627211430 451189114 /nfs/dbraw/zinc/18/91/14/451189114.db2.gz LTIISAZNZDLURM-UHFFFAOYSA-N 1 3 334.464 1.269 20 0 EDADHO COC[C@]1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCCCN1 ZINC000638083423 451247322 /nfs/dbraw/zinc/24/73/22/451247322.db2.gz LNHFNDUZHVYQAW-KONPQCLYSA-N 1 3 325.497 1.628 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095507 451261374 /nfs/dbraw/zinc/26/13/74/451261374.db2.gz UKVIEZGEHHYHHP-QZTJIDSGSA-N 1 3 330.476 1.142 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[C@@H](N2CCCCC2)C1 ZINC000638101740 451267109 /nfs/dbraw/zinc/26/71/09/451267109.db2.gz RHNAZTCZXOZNMY-GOSISDBHSA-N 1 3 327.472 1.962 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109939 451276203 /nfs/dbraw/zinc/27/62/03/451276203.db2.gz XWJWFNBBSPEVJD-FUHWJXTLSA-N 1 3 335.448 1.723 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638204148 451353767 /nfs/dbraw/zinc/35/37/67/451353767.db2.gz CEVGZXUPZKSTKP-JSGCOSHPSA-N 1 3 345.447 1.174 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cn1 ZINC000638373406 451470981 /nfs/dbraw/zinc/47/09/81/451470981.db2.gz QQYGIFIHJHWCBL-QGZVFWFLSA-N 1 3 327.432 1.143 20 0 EDADHO O[C@]1(C[NH2+]C[C@H]2CCN(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000634700875 451473689 /nfs/dbraw/zinc/47/36/89/451473689.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 1 3 329.488 1.697 20 0 EDADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)N(C)C ZINC000638413599 451499555 /nfs/dbraw/zinc/49/95/55/451499555.db2.gz AWVMKKAZWPIMNG-BMFZPTHFSA-N 1 3 337.439 1.736 20 0 EDADHO OC[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719745 451499485 /nfs/dbraw/zinc/49/94/85/451499485.db2.gz YHJBLBIBZUBYND-AZUAARDMSA-N 1 3 344.455 1.657 20 0 EDADHO OC[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719745 451499487 /nfs/dbraw/zinc/49/94/87/451499487.db2.gz YHJBLBIBZUBYND-AZUAARDMSA-N 1 3 344.455 1.657 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000638526747 451558923 /nfs/dbraw/zinc/55/89/23/451558923.db2.gz PANSLIUAYGMVOV-CZUORRHYSA-N 1 3 334.464 1.536 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)CC[C@H]1C(F)(F)F ZINC000638561022 451577850 /nfs/dbraw/zinc/57/78/50/451577850.db2.gz FTHUVKTWEIIIRE-WDEREUQCSA-N 1 3 347.406 1.993 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000638572806 451583739 /nfs/dbraw/zinc/58/37/39/451583739.db2.gz ZEOKLAXINYIRJM-RBUKOAKNSA-N 1 3 344.503 1.846 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(OC(C)C)C3)CC2)CC1 ZINC000636324200 451680223 /nfs/dbraw/zinc/68/02/23/451680223.db2.gz SKVCHIZJMSVCIR-UHFFFAOYSA-N 1 3 337.508 1.819 20 0 EDADHO CC1([NH+]2CCCC2)CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000638860312 451713634 /nfs/dbraw/zinc/71/36/34/451713634.db2.gz YRFCEQSRWVIWHM-UHFFFAOYSA-N 1 3 327.472 1.960 20 0 EDADHO CC(C)(C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)N1CCOCC1 ZINC000638976478 451744385 /nfs/dbraw/zinc/74/43/85/451744385.db2.gz INFWMVZXEKDBKN-LJQANCHMSA-N 1 3 347.503 1.454 20 0 EDADHO CC(C)[C@@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229367 451790590 /nfs/dbraw/zinc/79/05/90/451790590.db2.gz HZJPWYWFLXKKBO-MSOLQXFVSA-N 1 3 329.448 1.571 20 0 EDADHO CC(C)[C@@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229367 451790592 /nfs/dbraw/zinc/79/05/92/451790592.db2.gz HZJPWYWFLXKKBO-MSOLQXFVSA-N 1 3 329.448 1.571 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000641255307 451795199 /nfs/dbraw/zinc/79/51/99/451795199.db2.gz BLVMDJLOZXKQLO-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000649072006 451808262 /nfs/dbraw/zinc/80/82/62/451808262.db2.gz WVHCRNBRPYACCS-DOTOQJQBSA-N 1 3 346.475 1.258 20 0 EDADHO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639353798 451841628 /nfs/dbraw/zinc/84/16/28/451841628.db2.gz ZTIDQIHTTLCMAM-KRWDZBQOSA-N 1 3 331.460 1.638 20 0 EDADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562017 451862786 /nfs/dbraw/zinc/86/27/86/451862786.db2.gz NZXAFSVMUQNVFT-YVWKXTFCSA-N 1 3 331.504 1.909 20 0 EDADHO COCCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000649278119 451950033 /nfs/dbraw/zinc/95/00/33/451950033.db2.gz MMTHOSUSJPNTLT-SFHVURJKSA-N 1 3 347.503 1.682 20 0 EDADHO COCCC1(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292999 451968800 /nfs/dbraw/zinc/96/88/00/451968800.db2.gz SSRNPXVOYOWMQY-JKSUJKDBSA-N 1 3 325.497 1.772 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)COC2(C)CNC2)CC1 ZINC000649315194 451995016 /nfs/dbraw/zinc/99/50/16/451995016.db2.gz SQHWPOVIHWVPPS-UHFFFAOYSA-N 1 3 332.448 1.510 20 0 EDADHO COC[C@@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649322786 452001165 /nfs/dbraw/zinc/00/11/65/452001165.db2.gz MFBYYIOUDXJHDI-HXUWFJFHSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)c2ccccc2O1 ZINC000649347007 452030625 /nfs/dbraw/zinc/03/06/25/452030625.db2.gz ABJORCYFYKOABW-GJZGRUSLSA-N 1 3 333.432 1.111 20 0 EDADHO CCN(CC)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094273 452057038 /nfs/dbraw/zinc/05/70/38/452057038.db2.gz AHBRYVPLMFHYIQ-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CCN(CC)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094273 452057043 /nfs/dbraw/zinc/05/70/43/452057043.db2.gz AHBRYVPLMFHYIQ-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)C12CCC[NH+](CCC1)C2 ZINC000637825670 452103721 /nfs/dbraw/zinc/10/37/21/452103721.db2.gz YNDVXMSQPLWNLP-UHFFFAOYSA-N 1 3 329.448 1.306 20 0 EDADHO COc1ncncc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000647187434 452115891 /nfs/dbraw/zinc/11/58/91/452115891.db2.gz NONKLYPJVQQUCV-UHFFFAOYSA-N 1 3 333.480 1.525 20 0 EDADHO COc1ncncc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000647187434 452115896 /nfs/dbraw/zinc/11/58/96/452115896.db2.gz NONKLYPJVQQUCV-UHFFFAOYSA-N 1 3 333.480 1.525 20 0 EDADHO CC1CCN([C@@H](CNC(=O)COCC[NH3+])c2cccs2)CC1 ZINC000645180300 452197282 /nfs/dbraw/zinc/19/72/82/452197282.db2.gz CIEBCTMXOVIIGI-AWEZNQCLSA-N 1 3 325.478 1.613 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000645183036 452199076 /nfs/dbraw/zinc/19/90/76/452199076.db2.gz UYTPLAKTURNVBK-HOTGVXAUSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000645183036 452199084 /nfs/dbraw/zinc/19/90/84/452199084.db2.gz UYTPLAKTURNVBK-HOTGVXAUSA-N 1 3 336.480 1.119 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)n1 ZINC000654005947 452200153 /nfs/dbraw/zinc/20/01/53/452200153.db2.gz BMHOXXVCGNNJPP-GJZGRUSLSA-N 1 3 334.468 1.583 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H](CO)c1ccc(F)cc1 ZINC000647529463 452263420 /nfs/dbraw/zinc/26/34/20/452263420.db2.gz HAFVBTHCZXRUMS-QUCCMNQESA-N 1 3 346.446 1.984 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H](CO)c1ccc(F)cc1 ZINC000647529463 452263425 /nfs/dbraw/zinc/26/34/25/452263425.db2.gz HAFVBTHCZXRUMS-QUCCMNQESA-N 1 3 346.446 1.984 20 0 EDADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788916 452267133 /nfs/dbraw/zinc/26/71/33/452267133.db2.gz WEZKADDFADNESR-QYZOEREBSA-N 1 3 338.540 1.103 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NCCCN1CCc2ccccc2C1 ZINC000659433365 452279271 /nfs/dbraw/zinc/27/92/71/452279271.db2.gz BNWMJUYGQRVZIS-UHFFFAOYSA-N 1 3 328.460 1.568 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665757885 452326914 /nfs/dbraw/zinc/32/69/14/452326914.db2.gz ZECAQPQKZSBSOA-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665757885 452326922 /nfs/dbraw/zinc/32/69/22/452326922.db2.gz ZECAQPQKZSBSOA-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1C1CCC1 ZINC000665763633 452346155 /nfs/dbraw/zinc/34/61/55/452346155.db2.gz HQNLMRSLYMWRIV-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@@H]1C1CCC1 ZINC000665763633 452346166 /nfs/dbraw/zinc/34/61/66/452346166.db2.gz HQNLMRSLYMWRIV-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000665764397 452347764 /nfs/dbraw/zinc/34/77/64/452347764.db2.gz DBDIQNIAYWKRIY-LBPRGKRZSA-N 1 3 342.513 1.260 20 0 EDADHO Cc1nnc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000665764397 452347769 /nfs/dbraw/zinc/34/77/69/452347769.db2.gz DBDIQNIAYWKRIY-LBPRGKRZSA-N 1 3 342.513 1.260 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CCN1Cc1ccccc1 ZINC000659492571 452355011 /nfs/dbraw/zinc/35/50/11/452355011.db2.gz GKZHLBSFCNRRCY-WAZRQNRBSA-N 1 3 328.460 1.782 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CCC3C[NH2+]C3)c2)CC1 ZINC000638066642 452371737 /nfs/dbraw/zinc/37/17/37/452371737.db2.gz JLDBACSUNXVGGE-UHFFFAOYSA-N 1 3 344.459 1.322 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000659507867 452372710 /nfs/dbraw/zinc/37/27/10/452372710.db2.gz LKKICRZWALLFSE-GOSISDBHSA-N 1 3 345.491 1.735 20 0 EDADHO CCC[NH2+]CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659524549 452388108 /nfs/dbraw/zinc/38/81/08/452388108.db2.gz DGPUCMPXCKKCDZ-UHFFFAOYSA-N 1 3 333.480 1.592 20 0 EDADHO COc1cc(CNC(=O)C2=CC[C@@H]([NH3+])C2)ccc1OCCN(C)C ZINC000638077444 452390124 /nfs/dbraw/zinc/39/01/24/452390124.db2.gz SPTSFOQOQBCMJO-OAHLLOKOSA-N 1 3 333.432 1.299 20 0 EDADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000647709925 452446501 /nfs/dbraw/zinc/44/65/01/452446501.db2.gz BTAYOLUJVIKMBO-DOTOQJQBSA-N 1 3 337.439 1.076 20 0 EDADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000647709925 452446507 /nfs/dbraw/zinc/44/65/07/452446507.db2.gz BTAYOLUJVIKMBO-DOTOQJQBSA-N 1 3 337.439 1.076 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659609148 452465174 /nfs/dbraw/zinc/46/51/74/452465174.db2.gz TUCWKQRNLQADSQ-HZPDHXFCSA-N 1 3 326.485 1.255 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492629 /nfs/dbraw/zinc/49/26/29/452492629.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 1 3 338.496 1.101 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492633 /nfs/dbraw/zinc/49/26/33/452492633.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000640185671 452497991 /nfs/dbraw/zinc/49/79/91/452497991.db2.gz ONOMOPCRRLSARY-NSHDSACASA-N 1 3 341.481 1.241 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000640185671 452497996 /nfs/dbraw/zinc/49/79/96/452497996.db2.gz ONOMOPCRRLSARY-NSHDSACASA-N 1 3 341.481 1.241 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000654438610 452498820 /nfs/dbraw/zinc/49/88/20/452498820.db2.gz FACFHCCSGSWLFO-UHFFFAOYSA-N 1 3 329.448 1.436 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347334 452523297 /nfs/dbraw/zinc/52/32/97/452523297.db2.gz YWNMAXJFOBYNOO-WOYTXXSLSA-N 1 3 325.497 1.898 20 0 EDADHO CN(C)Cc1ccc(C(N)=O)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751167 452557308 /nfs/dbraw/zinc/55/73/08/452557308.db2.gz FVKHXRWNPWDUDA-QGZVFWFLSA-N 1 3 346.475 1.512 20 0 EDADHO CN(CCOc1ccccc1C(F)(F)F)CCN1CC[NH2+]CC1 ZINC000647835560 452573538 /nfs/dbraw/zinc/57/35/38/452573538.db2.gz BRHKCAYPUQBQPN-UHFFFAOYSA-N 1 3 331.382 1.921 20 0 EDADHO CO[C@@](C)(CO)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000655807641 452590831 /nfs/dbraw/zinc/59/08/31/452590831.db2.gz MCBSBNDMDISMCZ-LJQANCHMSA-N 1 3 335.492 1.704 20 0 EDADHO C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000657900855 452599919 /nfs/dbraw/zinc/59/99/19/452599919.db2.gz NPVZZSIBGPMORO-OAHLLOKOSA-N 1 3 329.448 1.413 20 0 EDADHO C[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900855 452599924 /nfs/dbraw/zinc/59/99/24/452599924.db2.gz NPVZZSIBGPMORO-OAHLLOKOSA-N 1 3 329.448 1.413 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921578 452684284 /nfs/dbraw/zinc/68/42/84/452684284.db2.gz PBEJDRLRGNOBIT-UHTWSYAYSA-N 1 3 334.386 1.534 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921578 452684289 /nfs/dbraw/zinc/68/42/89/452684289.db2.gz PBEJDRLRGNOBIT-UHTWSYAYSA-N 1 3 334.386 1.534 20 0 EDADHO CN(C)[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1O ZINC000647994307 452735201 /nfs/dbraw/zinc/73/52/01/452735201.db2.gz VPOMVQWVOHRXSS-ROUUACIJSA-N 1 3 346.475 1.099 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652645197 452802319 /nfs/dbraw/zinc/80/23/19/452802319.db2.gz UBSAVGHSGNHWSD-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706304 452942965 /nfs/dbraw/zinc/94/29/65/452942965.db2.gz IEHLYFHTTFINCF-LZLYRXPVSA-N 1 3 343.475 1.995 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccncc1 ZINC000664323214 452998180 /nfs/dbraw/zinc/99/81/80/452998180.db2.gz ARRLGCZQCMNYEI-HOTGVXAUSA-N 1 3 335.496 1.756 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccncc1 ZINC000664323214 452998189 /nfs/dbraw/zinc/99/81/89/452998189.db2.gz ARRLGCZQCMNYEI-HOTGVXAUSA-N 1 3 335.496 1.756 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662274151 453003104 /nfs/dbraw/zinc/00/31/04/453003104.db2.gz FLVFFYRKQGPNHD-JKSUJKDBSA-N 1 3 337.489 1.416 20 0 EDADHO c1ccc([C@H](CN2CCOCC2)NC[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662282796 453006975 /nfs/dbraw/zinc/00/69/75/453006975.db2.gz QTONWDPWRZVCKK-ROUUACIJSA-N 1 3 331.460 1.171 20 0 EDADHO CN1CC(=O)N(CCN2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000660120439 453046559 /nfs/dbraw/zinc/04/65/59/453046559.db2.gz BCJRUXAFEZPRIZ-UHFFFAOYSA-N 1 3 336.480 1.468 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC3C[NH2+]C3)c(C)c2)CC1 ZINC000666676612 453060004 /nfs/dbraw/zinc/06/00/04/453060004.db2.gz BZRCVYFHVVILOU-UHFFFAOYSA-N 1 3 331.464 1.478 20 0 EDADHO C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](C)C1 ZINC000662386682 453097211 /nfs/dbraw/zinc/09/72/11/453097211.db2.gz DPWCVTRQIIVVGQ-KGLIPLIRSA-N 1 3 334.464 1.992 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000662469286 453180914 /nfs/dbraw/zinc/18/09/14/453180914.db2.gz QGBATAGUTLUNLF-KRWDZBQOSA-N 1 3 337.439 1.783 20 0 EDADHO CC(C)CN1CCO[C@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449054 453188824 /nfs/dbraw/zinc/18/88/24/453188824.db2.gz XDSHFJYKWSJTBT-KRWDZBQOSA-N 1 3 329.448 1.761 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000648735176 453223252 /nfs/dbraw/zinc/22/32/52/453223252.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000648735176 453223258 /nfs/dbraw/zinc/22/32/58/453223258.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662559290 453287303 /nfs/dbraw/zinc/28/73/03/453287303.db2.gz WNMUYYHLSPLVCN-KSSFIOAISA-N 1 3 327.428 1.599 20 0 EDADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662575331 453300855 /nfs/dbraw/zinc/30/08/55/453300855.db2.gz RKUYPZPYYWJRTO-ZWKOTPCHSA-N 1 3 329.444 1.648 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662575848 453302469 /nfs/dbraw/zinc/30/24/69/453302469.db2.gz QVXNWFXDMATQRI-QRQLOZEOSA-N 1 3 343.471 1.966 20 0 EDADHO CN(C)[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653123407 453315880 /nfs/dbraw/zinc/31/58/80/453315880.db2.gz XMUAMXVUGYREFS-HUUCEWRRSA-N 1 3 326.872 1.338 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660174 453373546 /nfs/dbraw/zinc/37/35/46/453373546.db2.gz YZFKINXCQYWALX-UONOGXRCSA-N 1 3 329.366 1.651 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660174 453373553 /nfs/dbraw/zinc/37/35/53/453373553.db2.gz YZFKINXCQYWALX-UONOGXRCSA-N 1 3 329.366 1.651 20 0 EDADHO CN(C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664262 453377459 /nfs/dbraw/zinc/37/74/59/453377459.db2.gz VYWWGNFWGKCYRL-GDBMZVCRSA-N 1 3 343.393 1.818 20 0 EDADHO CC(C)(CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662679869 453400370 /nfs/dbraw/zinc/40/03/70/453400370.db2.gz QQYKJRZKMQVQMY-DLBZAZTESA-N 1 3 331.460 1.303 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681114 453402356 /nfs/dbraw/zinc/40/23/56/453402356.db2.gz AUZAFAPFKVXSIS-RYUDHWBXSA-N 1 3 325.400 1.082 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406580 /nfs/dbraw/zinc/40/65/80/453406580.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406586 /nfs/dbraw/zinc/40/65/86/453406586.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662686894 453408144 /nfs/dbraw/zinc/40/81/44/453408144.db2.gz BSUZMNFKGVSQQG-GASCZTMLSA-N 1 3 331.460 1.909 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000662690488 453410820 /nfs/dbraw/zinc/41/08/20/453410820.db2.gz ABKDQXWSTJMUFI-KURKYZTESA-N 1 3 331.460 1.379 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000662697381 453417844 /nfs/dbraw/zinc/41/78/44/453417844.db2.gz FZAIZQHIXIBAOC-CVEARBPZSA-N 1 3 346.479 1.293 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757071 453493396 /nfs/dbraw/zinc/49/33/96/453493396.db2.gz KEUZHZRJAVAOQW-ROUUACIJSA-N 1 3 346.475 1.126 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662799082 453533890 /nfs/dbraw/zinc/53/38/90/453533890.db2.gz KGVYULBJYAOAAL-UHFFFAOYSA-N 1 3 345.487 1.905 20 0 EDADHO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1(NC2CC2)CCC1 ZINC000662859883 453575110 /nfs/dbraw/zinc/57/51/10/453575110.db2.gz PPXUMXVXOBYLTJ-SFHVURJKSA-N 1 3 343.471 1.544 20 0 EDADHO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1(NC2CC2)CCC1 ZINC000662859883 453575116 /nfs/dbraw/zinc/57/51/16/453575116.db2.gz PPXUMXVXOBYLTJ-SFHVURJKSA-N 1 3 343.471 1.544 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659032737 453589865 /nfs/dbraw/zinc/58/98/65/453589865.db2.gz GYFLTENBIMCQQU-QGZVFWFLSA-N 1 3 332.448 1.907 20 0 EDADHO CC[N@H+]1CCCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659032737 453589869 /nfs/dbraw/zinc/58/98/69/453589869.db2.gz GYFLTENBIMCQQU-QGZVFWFLSA-N 1 3 332.448 1.907 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038823 453593272 /nfs/dbraw/zinc/59/32/72/453593272.db2.gz VVUMEPFQZCGYAD-RHSMWYFYSA-N 1 3 332.448 1.763 20 0 EDADHO CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665170416 453599886 /nfs/dbraw/zinc/59/98/86/453599886.db2.gz MRZWFTGHPWBJQI-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO CC[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665170416 453599888 /nfs/dbraw/zinc/59/98/88/453599888.db2.gz MRZWFTGHPWBJQI-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000662945344 453619187 /nfs/dbraw/zinc/61/91/87/453619187.db2.gz NUOXXAGAZCIOHR-IAGOWNOFSA-N 1 3 337.439 1.919 20 0 EDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cn1cc(Br)ccc1=O ZINC000665282259 453633950 /nfs/dbraw/zinc/63/39/50/453633950.db2.gz UMHJLYUEYCKUSR-DGCLKSJQSA-N 1 3 330.270 1.962 20 0 EDADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013174 453647160 /nfs/dbraw/zinc/64/71/60/453647160.db2.gz ACAYACYQUDNXPO-RDTXWAMCSA-N 1 3 348.495 1.043 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665361588 453667232 /nfs/dbraw/zinc/66/72/32/453667232.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000665361588 453667237 /nfs/dbraw/zinc/66/72/37/453667237.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)cc1 ZINC000663413156 453792162 /nfs/dbraw/zinc/79/21/62/453792162.db2.gz HFROMWMCHABAOY-HNNXBMFYSA-N 1 3 338.471 1.939 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccc(F)cc1 ZINC000663413156 453792164 /nfs/dbraw/zinc/79/21/64/453792164.db2.gz HFROMWMCHABAOY-HNNXBMFYSA-N 1 3 338.471 1.939 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000672663550 486756659 /nfs/dbraw/zinc/75/66/59/486756659.db2.gz IZUANCFJIRAOCL-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418214138 486828512 /nfs/dbraw/zinc/82/85/12/486828512.db2.gz WWGUVLPRAYJGDY-KRWDZBQOSA-N 1 3 336.480 1.937 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CCN(CC4CC4)C3)n2)CC1 ZINC000683813298 486825615 /nfs/dbraw/zinc/82/56/15/486825615.db2.gz RQVWPGOJVDLAIR-HNNXBMFYSA-N 1 3 346.479 1.756 20 0 EDADHO CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CC[C@H]1[NH3+] ZINC000667544686 486835450 /nfs/dbraw/zinc/83/54/50/486835450.db2.gz DQSGGXIHSQHVHR-GDBMZVCRSA-N 1 3 346.475 1.315 20 0 EDADHO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC[C@@H]1[NH3+] ZINC000667546861 486837148 /nfs/dbraw/zinc/83/71/48/486837148.db2.gz UIBMLETUZQMEGV-CVEARBPZSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)N1CC[NH+](C2CCN(c3ccncc3C(N)=O)CC2)CC1 ZINC000680829841 486863043 /nfs/dbraw/zinc/86/30/43/486863043.db2.gz BMDXFEXZPKTJRS-UHFFFAOYSA-N 1 3 331.464 1.175 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]34C[C@H]3COC4(C)C)CC2)CC1 ZINC000667641879 486893681 /nfs/dbraw/zinc/89/36/81/486893681.db2.gz GTLYDFQVONYQIX-LIRRHRJNSA-N 1 3 335.492 1.476 20 0 EDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000684387867 487046024 /nfs/dbraw/zinc/04/60/24/487046024.db2.gz LKMCQNBHCVUXKP-QYZOEREBSA-N 1 3 347.503 1.823 20 0 EDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000684387866 487046108 /nfs/dbraw/zinc/04/61/08/487046108.db2.gz LKMCQNBHCVUXKP-QRVBRYPASA-N 1 3 347.503 1.823 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000673556718 487060132 /nfs/dbraw/zinc/06/01/32/487060132.db2.gz YDOYKBPOBGKYDP-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000673869093 487140575 /nfs/dbraw/zinc/14/05/75/487140575.db2.gz LFWIAPNPSYYFJL-HUUCEWRRSA-N 1 3 336.484 1.829 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000682653215 487401386 /nfs/dbraw/zinc/40/13/86/487401386.db2.gz JYKUWWNIWPOVAA-UHFFFAOYSA-N 1 3 336.484 1.784 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669513915 485478291 /nfs/dbraw/zinc/47/82/91/485478291.db2.gz VRZMAHWGIBNEOY-RDJZCZTQSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000668982974 485523690 /nfs/dbraw/zinc/52/36/90/485523690.db2.gz AQJLQYDFAOBBQY-ZWKOTPCHSA-N 1 3 328.460 1.668 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)CCO1 ZINC000669550910 485544291 /nfs/dbraw/zinc/54/42/91/485544291.db2.gz CAIHIQMQBFWWEO-YOEHRIQHSA-N 1 3 347.463 1.056 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668661120 486009264 /nfs/dbraw/zinc/00/92/64/486009264.db2.gz KJPIFSHIQKDEGH-JQHSSLGASA-N 1 3 348.491 1.827 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389586 486025586 /nfs/dbraw/zinc/02/55/86/486025586.db2.gz ZDGGSLOMGPIAGJ-HUUCEWRRSA-N 1 3 340.537 1.917 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669426314 486146587 /nfs/dbraw/zinc/14/65/87/486146587.db2.gz HZVNJIQBAPFPHA-NVXWUHKLSA-N 1 3 346.475 1.378 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442785 486239486 /nfs/dbraw/zinc/23/94/86/486239486.db2.gz TXEYYLSZHJGEIL-ZWKOTPCHSA-N 1 3 346.475 1.189 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000669486827 486252725 /nfs/dbraw/zinc/25/27/25/486252725.db2.gz BDZXSDCDXANBLM-QAPCUYQASA-N 1 3 346.475 1.500 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000377812552 486613128 /nfs/dbraw/zinc/61/31/28/486613128.db2.gz XTFACZIEZIBFSA-UOVPBQLFSA-N 1 3 337.508 1.628 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CCN1Cc1ccccc1 ZINC000379666813 486636867 /nfs/dbraw/zinc/63/68/67/486636867.db2.gz XQVSIWXMWABAGT-GOEBONIOSA-N 1 3 342.447 1.020 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(N)CCOCC1 ZINC000261774859 535556298 /nfs/dbraw/zinc/55/62/98/535556298.db2.gz GXLZUGMXJCLONK-UHFFFAOYSA-N 1 3 349.475 1.531 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916862 535595907 /nfs/dbraw/zinc/59/59/07/535595907.db2.gz QLOJQPPXFWMPRD-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916862 535595915 /nfs/dbraw/zinc/59/59/15/535595915.db2.gz QLOJQPPXFWMPRD-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)CCOCC1)Cc1ccccc1 ZINC000338152472 535670522 /nfs/dbraw/zinc/67/05/22/535670522.db2.gz AFTFTZUHSYBVJI-KRWDZBQOSA-N 1 3 333.476 1.564 20 0 EDADHO C[N@H+](CCC(=O)N1CCNCC1)C1CCN(Cc2ccccc2)CC1 ZINC000261581541 536303762 /nfs/dbraw/zinc/30/37/62/536303762.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 1 3 344.503 1.405 20 0 EDADHO C[N@@H+](CCC(=O)N1CCNCC1)C1CCN(Cc2ccccc2)CC1 ZINC000261581541 536303765 /nfs/dbraw/zinc/30/37/65/536303765.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCCC[C@H]1C ZINC000729496842 578577488 /nfs/dbraw/zinc/57/74/88/578577488.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@H+]1CCCC[C@H]1C ZINC000729496842 578577489 /nfs/dbraw/zinc/57/74/89/578577489.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 1 3 338.496 1.412 20 0 EDADHO Cc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nc(N)n1 ZINC000729919341 578598909 /nfs/dbraw/zinc/59/89/09/578598909.db2.gz FWKHEGKPIUJKIA-UHFFFAOYSA-N 1 3 327.436 1.150 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732677804 578723011 /nfs/dbraw/zinc/72/30/11/578723011.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 1 3 336.480 1.118 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000732677804 578723012 /nfs/dbraw/zinc/72/30/12/578723012.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 1 3 336.480 1.118 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000746257896 579582529 /nfs/dbraw/zinc/58/25/29/579582529.db2.gz HKZYADOOCWWXJA-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1 ZINC000750735167 579778936 /nfs/dbraw/zinc/77/89/36/579778936.db2.gz VHZXHXKWVBMHGX-IJDCCNJMSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1 ZINC000750735167 579778937 /nfs/dbraw/zinc/77/89/37/579778937.db2.gz VHZXHXKWVBMHGX-IJDCCNJMSA-N 1 3 333.480 1.308 20 0 EDADHO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000763069405 580091894 /nfs/dbraw/zinc/09/18/94/580091894.db2.gz OMVUPTKUIPLXNP-DNVCBOLYSA-N 1 3 345.487 1.516 20 0 EDADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771036662 580277912 /nfs/dbraw/zinc/27/79/12/580277912.db2.gz AKGXNMGAHXNFFS-KRWDZBQOSA-N 1 3 325.497 1.868 20 0 EDADHO Cn1nc(Br)cc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000785417211 580643321 /nfs/dbraw/zinc/64/33/21/580643321.db2.gz DXGKXQHFEWZSMK-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000891976713 590719511 /nfs/dbraw/zinc/71/95/11/590719511.db2.gz RJDRFSAJFQYBBB-HNNXBMFYSA-N 1 3 331.464 1.963 20 0 EDADHO CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)[NH2+]C1 ZINC000892118255 590809483 /nfs/dbraw/zinc/80/94/83/590809483.db2.gz DDYHKMVZSXXNDH-RDJZCZTQSA-N 1 3 330.476 1.951 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892188475 590855421 /nfs/dbraw/zinc/85/54/21/590855421.db2.gz RGNBVCPJVHYSEP-WCXIOVBPSA-N 1 3 343.475 1.690 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892187275 590855524 /nfs/dbraw/zinc/85/55/24/590855524.db2.gz KGJMOPVDCIRUFX-XDNAFOTISA-N 1 3 328.460 1.388 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000892266878 590899782 /nfs/dbraw/zinc/89/97/82/590899782.db2.gz ILHARDUMNCLXBT-MRXNPFEDSA-N 1 3 338.496 1.128 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000892279188 590909639 /nfs/dbraw/zinc/90/96/39/590909639.db2.gz QVERVWPWAPKVKG-QGZVFWFLSA-N 1 3 346.475 1.376 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000891339882 591049516 /nfs/dbraw/zinc/04/95/16/591049516.db2.gz IUKVFBGZPVQQQX-QAQDUYKDSA-N 1 3 330.476 1.730 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000892549171 591068564 /nfs/dbraw/zinc/06/85/64/591068564.db2.gz PAUBEWYINUFVCT-WNRNVDISSA-N 1 3 328.460 1.640 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892551711 591069331 /nfs/dbraw/zinc/06/93/31/591069331.db2.gz MRSOJXBWOMFTBX-RYQLBKOJSA-N 1 3 330.476 1.887 20 0 EDADHO C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000891604012 591145042 /nfs/dbraw/zinc/14/50/42/591145042.db2.gz VBVGVTLGASCNFT-MRXNPFEDSA-N 1 3 339.528 1.173 20 0 EDADHO C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])CN1CCN(C)CC1 ZINC000891603923 591145184 /nfs/dbraw/zinc/14/51/84/591145184.db2.gz SSPZDZKVGGTPLZ-INIZCTEOSA-N 1 3 327.517 1.030 20 0 EDADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCCC12CCC2 ZINC000892754866 591160559 /nfs/dbraw/zinc/16/05/59/591160559.db2.gz CHDSPRKDAMQMRH-HNNXBMFYSA-N 1 3 336.480 1.073 20 0 EDADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCCC12CCC2 ZINC000892754867 591160936 /nfs/dbraw/zinc/16/09/36/591160936.db2.gz CHDSPRKDAMQMRH-OAHLLOKOSA-N 1 3 336.480 1.073 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1Cc1ccccc1 ZINC000891655488 591170952 /nfs/dbraw/zinc/17/09/52/591170952.db2.gz MSNFQGLSNKYEGA-BGTYHANMSA-N 1 3 328.460 1.795 20 0 EDADHO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(N)ccn2)[C@@H]1c1ccccc1 ZINC000891723673 591199119 /nfs/dbraw/zinc/19/91/19/591199119.db2.gz SWENUASXCDQUNJ-IRXDYDNUSA-N 1 3 325.416 1.908 20 0 EDADHO C[N@H+]1CC[C@H](NC(=O)NCc2cc(N)ccn2)[C@@H]1c1ccccc1 ZINC000891723673 591199122 /nfs/dbraw/zinc/19/91/22/591199122.db2.gz SWENUASXCDQUNJ-IRXDYDNUSA-N 1 3 325.416 1.908 20 0 EDADHO CC[NH+]1CCN(CCNc2ccnc(C)c2Br)CC1 ZINC000891755972 591212686 /nfs/dbraw/zinc/21/26/86/591212686.db2.gz HPWAGRHHCOIMSQ-UHFFFAOYSA-N 1 3 327.270 1.624 20 0 EDADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000896117316 591349330 /nfs/dbraw/zinc/34/93/30/591349330.db2.gz LVAOVBUHLLUKCA-SJORKVTESA-N 1 3 346.479 1.850 20 0 EDADHO C[C@H]1CCN(CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469136 591470704 /nfs/dbraw/zinc/47/07/04/591470704.db2.gz DTWPXHNUCSPXTR-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CCN(CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469134 591470744 /nfs/dbraw/zinc/47/07/44/591470744.db2.gz DTWPXHNUCSPXTR-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894989766 591509255 /nfs/dbraw/zinc/50/92/55/591509255.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894989766 591509256 /nfs/dbraw/zinc/50/92/56/591509256.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)C3CN(C4CCOCC4)C3)CC2)CC1 ZINC000899162399 591716035 /nfs/dbraw/zinc/71/60/35/591716035.db2.gz AIBGQUUOFQXDJO-UHFFFAOYSA-N 1 3 335.492 1.432 20 0 EDADHO CCO[C@@H]1C[C@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339616 591719402 /nfs/dbraw/zinc/71/94/02/591719402.db2.gz UMPOGCBIHDGXNV-FCGDIQPGSA-N 1 3 334.460 1.535 20 0 EDADHO CCO[C@@H]1C[C@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339616 591719405 /nfs/dbraw/zinc/71/94/05/591719405.db2.gz UMPOGCBIHDGXNV-FCGDIQPGSA-N 1 3 334.460 1.535 20 0 EDADHO CCOC(=O)N1C[C@H]([NH2+]C2CCN(CCC(C)C)CC2)[C@@H](CO)C1 ZINC000898348293 591880896 /nfs/dbraw/zinc/88/08/96/591880896.db2.gz KDWLXRHNLXPOQU-WBVHZDCISA-N 1 3 341.496 1.536 20 0 EDADHO C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897352285 591887681 /nfs/dbraw/zinc/88/76/81/591887681.db2.gz HAKGMUKLDFLLQH-HZPDHXFCSA-N 1 3 349.519 1.866 20 0 EDADHO C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000897352285 591887684 /nfs/dbraw/zinc/88/76/84/591887684.db2.gz HAKGMUKLDFLLQH-HZPDHXFCSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@@]1(O)CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000900190225 591934887 /nfs/dbraw/zinc/93/48/87/591934887.db2.gz DETZYTXUGFMMIA-HKUYNNGSSA-N 1 3 339.524 1.706 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCC2)cc1)C1(O)CCOCC1 ZINC000899865550 591968191 /nfs/dbraw/zinc/96/81/91/591968191.db2.gz HTLJOMWPQPHNFB-SFHVURJKSA-N 1 3 334.460 1.274 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000902461232 591999983 /nfs/dbraw/zinc/99/99/83/591999983.db2.gz MUDIRRVMQHMTDM-UGSOOPFHSA-N 1 3 329.448 1.939 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000902501064 592003121 /nfs/dbraw/zinc/00/31/21/592003121.db2.gz HRRRFWVWSPJZOH-IJXRJRJASA-N 1 3 343.471 1.599 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900429337 592015921 /nfs/dbraw/zinc/01/59/21/592015921.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 1 3 337.508 1.697 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900429337 592015925 /nfs/dbraw/zinc/01/59/25/592015925.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 1 3 337.508 1.697 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C23CCN(CC2)C3)CC1 ZINC000900463527 592025880 /nfs/dbraw/zinc/02/58/80/592025880.db2.gz FYWLOIDXKXNXPJ-CALCHBBNSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C23CCN(CC2)C3)CC1 ZINC000900463527 592025882 /nfs/dbraw/zinc/02/58/82/592025882.db2.gz FYWLOIDXKXNXPJ-CALCHBBNSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903441063 592170089 /nfs/dbraw/zinc/17/00/89/592170089.db2.gz IPVJEHOXGKURPZ-TVFCKZIOSA-N 1 3 336.524 1.236 20 0 EDADHO COC(=O)c1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903492279 592184958 /nfs/dbraw/zinc/18/49/58/592184958.db2.gz AGJKURLNOWNARS-DAYGRLMNSA-N 1 3 332.400 1.186 20 0 EDADHO COC(=O)c1cc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1C ZINC000903494689 592186716 /nfs/dbraw/zinc/18/67/16/592186716.db2.gz KSXOHIGNAKJNPP-KHYOSLBOSA-N 1 3 346.427 1.494 20 0 EDADHO COc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496414 592187558 /nfs/dbraw/zinc/18/75/58/592187558.db2.gz MVBUUONFTFQJHZ-HZSPNIEDSA-N 1 3 335.448 1.948 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NCc1ccccc1 ZINC000903513173 592191842 /nfs/dbraw/zinc/19/18/42/592191842.db2.gz VWXYWDYZBKNRAX-KDURUIRLSA-N 1 3 342.487 1.203 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NCc1ccccc1 ZINC000903513173 592191845 /nfs/dbraw/zinc/19/18/45/592191845.db2.gz VWXYWDYZBKNRAX-KDURUIRLSA-N 1 3 342.487 1.203 20 0 EDADHO [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)[C@@H]2CCCNC2)CC1 ZINC000903532751 592208604 /nfs/dbraw/zinc/20/86/04/592208604.db2.gz MQFVDRASUAXKTM-MRXNPFEDSA-N 1 3 337.489 1.061 20 0 EDADHO Cn1ccc([C@@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000903563475 592211305 /nfs/dbraw/zinc/21/13/05/592211305.db2.gz DRNXXZAOCFOCHM-AOIWGVFYSA-N 1 3 328.460 1.530 20 0 EDADHO Cn1ccc([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000903563475 592211307 /nfs/dbraw/zinc/21/13/07/592211307.db2.gz DRNXXZAOCFOCHM-AOIWGVFYSA-N 1 3 328.460 1.530 20 0 EDADHO C[C@@H]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)[C@@H]1CCC[NH3+] ZINC000904354462 592237655 /nfs/dbraw/zinc/23/76/55/592237655.db2.gz ZBRISJNPFWYHSD-HUUCEWRRSA-N 1 3 336.484 1.816 20 0 EDADHO FC(F)(F)COCCCN1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903726482 592285245 /nfs/dbraw/zinc/28/52/45/592285245.db2.gz MDFPXMUMDJCVQY-HNNXBMFYSA-N 1 3 337.430 1.963 20 0 EDADHO COc1cc2c(cc1OC)CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727875 592286127 /nfs/dbraw/zinc/28/61/27/592286127.db2.gz YOPZTBKLCQBNOI-XLIONFOSSA-N 1 3 346.471 1.873 20 0 EDADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732467 592287866 /nfs/dbraw/zinc/28/78/66/592287866.db2.gz DWFJNRUHSNTCPN-MDZRGWNJSA-N 1 3 341.459 1.677 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[C@@H]1N1CCN(C)CC1 ZINC000901272562 592308640 /nfs/dbraw/zinc/30/86/40/592308640.db2.gz MIUMNSLLAOMKKC-XWSJACJDSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC[C@@H]1N1CCN(C)CC1 ZINC000901272562 592308644 /nfs/dbraw/zinc/30/86/44/592308644.db2.gz MIUMNSLLAOMKKC-XWSJACJDSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1nc(N2CCNCC2)no1 ZINC000904740646 592319829 /nfs/dbraw/zinc/31/98/29/592319829.db2.gz LLWCBFFTKIPYCP-HOCLYGCPSA-N 1 3 327.432 1.715 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1nc(N2CCNCC2)no1 ZINC000904740646 592319832 /nfs/dbraw/zinc/31/98/32/592319832.db2.gz LLWCBFFTKIPYCP-HOCLYGCPSA-N 1 3 327.432 1.715 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903891058 592352346 /nfs/dbraw/zinc/35/23/46/592352346.db2.gz IWGAIXFMZBOUCF-VBZNHOPUSA-N 1 3 348.535 1.582 20 0 EDADHO CCN1CCC(NC(=O)CN2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000903871614 592353530 /nfs/dbraw/zinc/35/35/30/592353530.db2.gz XFPQYGADIAVDRV-UHFFFAOYSA-N 1 3 344.503 1.541 20 0 EDADHO CC1CCC(N2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000903893246 592366436 /nfs/dbraw/zinc/36/64/36/592366436.db2.gz SVJLAGXDWDFCND-ABHNRTSZSA-N 1 3 346.523 1.899 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccnc(-n3cccn3)c2)cnn1C ZINC000903923205 592378217 /nfs/dbraw/zinc/37/82/17/592378217.db2.gz NSZZSUHUUPTGCN-INIZCTEOSA-N 1 3 339.447 1.216 20 0 EDADHO CC(C)CC(=O)N1CCC(NCc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903924899 592379310 /nfs/dbraw/zinc/37/93/10/592379310.db2.gz JSBYXTYOAVZDQZ-INIZCTEOSA-N 1 3 348.495 1.329 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccc(F)cc1 ZINC000908206167 592384601 /nfs/dbraw/zinc/38/46/01/592384601.db2.gz DKEVIXXYFYMOFK-MRXNPFEDSA-N 1 3 347.438 1.617 20 0 EDADHO c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c2c(c1)CNCC2 ZINC000903917024 592388792 /nfs/dbraw/zinc/38/87/92/592388792.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 1 3 329.488 1.877 20 0 EDADHO c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c2c(c1)CNCC2 ZINC000903917024 592388794 /nfs/dbraw/zinc/38/87/94/592388794.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 1 3 329.488 1.877 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccnn1-c1ccccc1)C2 ZINC000903977724 592399165 /nfs/dbraw/zinc/39/91/65/592399165.db2.gz XSUXFDYJOLRWJS-KHYOSLBOSA-N 1 3 340.427 1.585 20 0 EDADHO CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903980549 592400232 /nfs/dbraw/zinc/40/02/32/592400232.db2.gz UPMBEDXVEIKBLC-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903980549 592400235 /nfs/dbraw/zinc/40/02/35/592400235.db2.gz UPMBEDXVEIKBLC-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903980549 592400238 /nfs/dbraw/zinc/40/02/38/592400238.db2.gz UPMBEDXVEIKBLC-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987614 592406034 /nfs/dbraw/zinc/40/60/34/592406034.db2.gz HWAKVKWKKJPALJ-HUUCEWRRSA-N 1 3 336.505 1.595 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987614 592406038 /nfs/dbraw/zinc/40/60/38/592406038.db2.gz HWAKVKWKKJPALJ-HUUCEWRRSA-N 1 3 336.505 1.595 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC([C@@]3(C)COC(=O)N3)CC2)cnn1C ZINC000903986696 592406138 /nfs/dbraw/zinc/40/61/38/592406138.db2.gz POPWAOLFEHCTGK-RDTXWAMCSA-N 1 3 349.479 1.056 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c3ccccc3)C2)CC1 ZINC000905111216 592411775 /nfs/dbraw/zinc/41/17/75/592411775.db2.gz URMYWEPQUWTTPF-YSIASYRMSA-N 1 3 347.503 1.229 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000908319970 592432354 /nfs/dbraw/zinc/43/23/54/592432354.db2.gz ZIRQYBTXCGUGQT-PKOBYXMFSA-N 1 3 347.459 1.039 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000908319970 592432356 /nfs/dbraw/zinc/43/23/56/592432356.db2.gz ZIRQYBTXCGUGQT-PKOBYXMFSA-N 1 3 347.459 1.039 20 0 EDADHO CN(C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000905437760 592534162 /nfs/dbraw/zinc/53/41/62/592534162.db2.gz HTQHCPGWIBRWJG-UXHICEINSA-N 1 3 344.503 1.838 20 0 EDADHO CN(C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000905437760 592534164 /nfs/dbraw/zinc/53/41/64/592534164.db2.gz HTQHCPGWIBRWJG-UXHICEINSA-N 1 3 344.503 1.838 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCC[C@@H](C)C1 ZINC000906645012 592865744 /nfs/dbraw/zinc/86/57/44/592865744.db2.gz IJJVGQHBXXRIIX-KGLIPLIRSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N1CCCC1 ZINC000906645784 592865811 /nfs/dbraw/zinc/86/58/11/592865811.db2.gz NSYHEFZUUZTSPY-CYBMUJFWSA-N 1 3 332.448 1.419 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)CCc2ccc(OCCN(C)C)cc2)C1 ZINC000911774728 593002712 /nfs/dbraw/zinc/00/27/12/593002712.db2.gz MFXAFEFKPNUPJA-QGZVFWFLSA-N 1 3 333.476 1.628 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000912587923 593106596 /nfs/dbraw/zinc/10/65/96/593106596.db2.gz IDWCKLMANDDOII-QGZVFWFLSA-N 1 3 339.524 1.850 20 0 EDADHO O[C@H](CN1CCN(c2ccnc3ccccc32)CC1)C[NH+]1CCCC1 ZINC000839005723 593250867 /nfs/dbraw/zinc/25/08/67/593250867.db2.gz XERHUFPFRMNZTL-KRWDZBQOSA-N 1 3 340.471 1.814 20 0 EDADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000810208386 593388572 /nfs/dbraw/zinc/38/85/72/593388572.db2.gz UZENVUCLUFUJET-MRXNPFEDSA-N 1 3 339.505 1.889 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984925 593732527 /nfs/dbraw/zinc/73/25/27/593732527.db2.gz NABFVBQAEXKXQT-HOTGVXAUSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984925 593732528 /nfs/dbraw/zinc/73/25/28/593732528.db2.gz NABFVBQAEXKXQT-HOTGVXAUSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984925 593732529 /nfs/dbraw/zinc/73/25/29/593732529.db2.gz NABFVBQAEXKXQT-HOTGVXAUSA-N 1 3 343.512 1.972 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000819043743 593735359 /nfs/dbraw/zinc/73/53/59/593735359.db2.gz VFSYSAWXCWMHMU-QGZVFWFLSA-N 1 3 337.439 1.391 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000819219671 593744900 /nfs/dbraw/zinc/74/49/00/593744900.db2.gz FOMQTYPJPLSKLG-CXAGYDPISA-N 1 3 338.473 1.364 20 0 EDADHO CN(C)C1CCC([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000819374794 593752429 /nfs/dbraw/zinc/75/24/29/593752429.db2.gz NNTUNJCJAMSBLX-UHFFFAOYSA-N 1 3 348.509 1.205 20 0 EDADHO C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821583502 593869311 /nfs/dbraw/zinc/86/93/11/593869311.db2.gz XWUGUMVRNHRMOF-INIZCTEOSA-N 1 3 330.436 1.174 20 0 EDADHO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc(CN(C)C)c2)CC1 ZINC000820807508 593894581 /nfs/dbraw/zinc/89/45/81/593894581.db2.gz JVJDGUKEPRCLDA-MRXNPFEDSA-N 1 3 332.492 1.563 20 0 EDADHO COc1cc(-c2noc(CC[C@H](C)[NH3+])n2)ccc1OCCN(C)C ZINC000822925702 594123176 /nfs/dbraw/zinc/12/31/76/594123176.db2.gz IHVQDQWTCBYXGK-LBPRGKRZSA-N 1 3 334.420 1.965 20 0 EDADHO C[C@@H]([NH3+])CCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951503 594127778 /nfs/dbraw/zinc/12/77/78/594127778.db2.gz SXIQTGOUJKBKLB-CYBMUJFWSA-N 1 3 330.436 1.553 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827023523 594625674 /nfs/dbraw/zinc/62/56/74/594625674.db2.gz CRPDUJGBZXRHSQ-SFHVURJKSA-N 1 3 330.476 1.890 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080628 594636230 /nfs/dbraw/zinc/63/62/30/594636230.db2.gz HXUUZCUKAJNAKM-IBGZPJMESA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841285120 594881122 /nfs/dbraw/zinc/88/11/22/594881122.db2.gz RYEGXNBTMFLXNN-XJKSGUPXSA-N 1 3 348.447 1.667 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000841310354 594883456 /nfs/dbraw/zinc/88/34/56/594883456.db2.gz NXCXRERCIIZBIA-IRXDYDNUSA-N 1 3 332.448 1.781 20 0 EDADHO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364048 595088485 /nfs/dbraw/zinc/08/84/85/595088485.db2.gz MSCTWBVLERXPRF-GFCCVEGCSA-N 1 3 343.431 1.671 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000846144870 595156484 /nfs/dbraw/zinc/15/64/84/595156484.db2.gz KSJBEEWCTHHIKJ-DLBZAZTESA-N 1 3 332.448 1.068 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CNCc2ccccc21 ZINC000844170030 595290220 /nfs/dbraw/zinc/29/02/20/595290220.db2.gz FPVWQDBVFHQBOT-HKUYNNGSSA-N 1 3 343.471 1.633 20 0 EDADHO c1cc(-c2noc(C[C@H]3CNCCO3)n2)ccc1C[NH+]1CCCC1 ZINC000843172592 595298799 /nfs/dbraw/zinc/29/87/99/595298799.db2.gz FQUFPZONZYUBPH-INIZCTEOSA-N 1 3 328.416 1.863 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875527 595330439 /nfs/dbraw/zinc/33/04/39/595330439.db2.gz SKOBRPWPSPRUOV-CRAIPNDOSA-N 1 3 341.496 1.774 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875527 595330442 /nfs/dbraw/zinc/33/04/42/595330442.db2.gz SKOBRPWPSPRUOV-CRAIPNDOSA-N 1 3 341.496 1.774 20 0 EDADHO CN(C)[C@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875528 595330547 /nfs/dbraw/zinc/33/05/47/595330547.db2.gz SKOBRPWPSPRUOV-MAUKXSAKSA-N 1 3 341.496 1.774 20 0 EDADHO CN(C)[C@H]1CCC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875528 595330550 /nfs/dbraw/zinc/33/05/50/595330550.db2.gz SKOBRPWPSPRUOV-MAUKXSAKSA-N 1 3 341.496 1.774 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051101 595475215 /nfs/dbraw/zinc/47/52/15/595475215.db2.gz WRVWYTZBEAGIJP-HJPURHCSSA-N 1 3 336.505 1.663 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067719 595477487 /nfs/dbraw/zinc/47/74/87/595477487.db2.gz YCYKVZBDJKACSG-OAHLLOKOSA-N 1 3 335.427 1.154 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])NC3CCC3)c2)C1 ZINC000849111817 595483979 /nfs/dbraw/zinc/48/39/79/595483979.db2.gz GWPSFMWASPFTCL-INIZCTEOSA-N 1 3 343.475 1.550 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849487305 595548232 /nfs/dbraw/zinc/54/82/32/595548232.db2.gz OPPCHWBSHXFRAJ-IRXDYDNUSA-N 1 3 349.523 1.690 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515954 595556738 /nfs/dbraw/zinc/55/67/38/595556738.db2.gz IAURYHYNERPOTL-SQNIBIBYSA-N 1 3 345.491 1.152 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1c1ccccc1 ZINC000852830419 595564856 /nfs/dbraw/zinc/56/48/56/595564856.db2.gz VMIHDDQOBKZFIN-LSDHHAIUSA-N 1 3 327.453 1.961 20 0 EDADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000852859983 595580984 /nfs/dbraw/zinc/58/09/84/595580984.db2.gz GTEUJOPQIXLOGA-HZPDHXFCSA-N 1 3 330.432 1.213 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc21 ZINC000852870717 595590176 /nfs/dbraw/zinc/59/01/76/595590176.db2.gz QIZNXRZVLWNNPW-CQSZACIVSA-N 1 3 329.404 1.245 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849613612 595597305 /nfs/dbraw/zinc/59/73/05/595597305.db2.gz UKTGIIIDEXRWFE-FGTMMUONSA-N 1 3 347.507 1.444 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000851675882 595880256 /nfs/dbraw/zinc/88/02/56/595880256.db2.gz AAYQQOBLMQYXSE-MRXNPFEDSA-N 1 3 336.480 1.025 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934211 595975816 /nfs/dbraw/zinc/97/58/16/595975816.db2.gz GLFZEIGHWHEBFW-INIZCTEOSA-N 1 3 325.497 1.487 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000859212405 596005842 /nfs/dbraw/zinc/00/58/42/596005842.db2.gz JCRUKXDKAHNFQV-FQEVSTJZSA-N 1 3 341.455 1.553 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)N(CCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000861685559 596068306 /nfs/dbraw/zinc/06/83/06/596068306.db2.gz PMKLCJOPFLHFHP-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866122 596382802 /nfs/dbraw/zinc/38/28/02/596382802.db2.gz ODPXUVIQBJYZIW-HBFSDRIKSA-N 1 3 342.487 1.178 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000869777188 596628080 /nfs/dbraw/zinc/62/80/80/596628080.db2.gz BFVPKANKOVHWNP-HRCADAONSA-N 1 3 346.427 1.252 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000869777188 596628082 /nfs/dbraw/zinc/62/80/82/596628082.db2.gz BFVPKANKOVHWNP-HRCADAONSA-N 1 3 346.427 1.252 20 0 EDADHO COc1ccc(CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1C ZINC000863641750 596640726 /nfs/dbraw/zinc/64/07/26/596640726.db2.gz AREXSJVSQGRLGW-AEFFLSMTSA-N 1 3 345.443 1.761 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000868178979 596713416 /nfs/dbraw/zinc/71/34/16/596713416.db2.gz ZCDGXTTXKUWWQH-OKZBNKHCSA-N 1 3 344.459 1.876 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000868305359 596780144 /nfs/dbraw/zinc/78/01/44/596780144.db2.gz XLDFUQXIZGYTFQ-SHTZXODSSA-N 1 3 332.448 1.320 20 0 EDADHO COC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872153669 596814831 /nfs/dbraw/zinc/81/48/31/596814831.db2.gz GLFCSSIIUJTMSU-SQNIBIBYSA-N 1 3 334.460 1.583 20 0 EDADHO COC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000872153669 596814833 /nfs/dbraw/zinc/81/48/33/596814833.db2.gz GLFCSSIIUJTMSU-SQNIBIBYSA-N 1 3 334.460 1.583 20 0 EDADHO COC(=O)CC[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000872153669 596814834 /nfs/dbraw/zinc/81/48/34/596814834.db2.gz GLFCSSIIUJTMSU-SQNIBIBYSA-N 1 3 334.460 1.583 20 0 EDADHO CN(CCCCCC[NH3+])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000872154842 596815741 /nfs/dbraw/zinc/81/57/41/596815741.db2.gz BYSRYXSMXCLJKN-OAHLLOKOSA-N 1 3 335.448 1.394 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000872174156 596820519 /nfs/dbraw/zinc/82/05/19/596820519.db2.gz FVLJCPRMEHISHC-GOSISDBHSA-N 1 3 346.431 1.684 20 0 EDADHO C[C@@H](NCc1ccncc1O[C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000864370475 596872395 /nfs/dbraw/zinc/87/23/95/596872395.db2.gz PUBIRBFYRVVIKN-HIFRSBDPSA-N 1 3 330.436 1.327 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000874433010 597076700 /nfs/dbraw/zinc/07/67/00/597076700.db2.gz TYDYGUZCVKIGRH-FCGDIQPGSA-N 1 3 344.503 1.989 20 0 EDADHO CCOC1CC2(C[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000876434695 597204608 /nfs/dbraw/zinc/20/46/08/597204608.db2.gz RBZVQFKCQFUPPX-ISXOHVOVSA-N 1 3 326.485 1.079 20 0 EDADHO CC1(C)CC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)NC1 ZINC000873234261 597235119 /nfs/dbraw/zinc/23/51/19/597235119.db2.gz DVLNDMFNAHCUPX-GOSISDBHSA-N 1 3 338.540 1.151 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000874998709 597237641 /nfs/dbraw/zinc/23/76/41/597237641.db2.gz JELNOQQIKRUAKM-HNNXBMFYSA-N 1 3 326.485 1.004 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(CN2CCNC2=O)cc1 ZINC000873262832 597242416 /nfs/dbraw/zinc/24/24/16/597242416.db2.gz PZSOAICXQCTNRX-RRQGHBQHSA-N 1 3 332.448 1.054 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000875071809 597269919 /nfs/dbraw/zinc/26/99/19/597269919.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 1 3 340.512 1.394 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCCC[C@@H]1C ZINC000875071809 597269920 /nfs/dbraw/zinc/26/99/20/597269920.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 1 3 340.512 1.394 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000875091737 597278125 /nfs/dbraw/zinc/27/81/25/597278125.db2.gz MFHLSVRWDSULLL-KRWDZBQOSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736356 597313907 /nfs/dbraw/zinc/31/39/07/597313907.db2.gz JXZQUKMGHGGLHJ-BBRMVZONSA-N 1 3 327.432 1.444 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876751876 597321813 /nfs/dbraw/zinc/32/18/13/597321813.db2.gz ZXGLZXWQSRIAMC-CVEARBPZSA-N 1 3 333.480 1.720 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782525 597338757 /nfs/dbraw/zinc/33/87/57/597338757.db2.gz WTVIYHBWWJOLJJ-AEFFLSMTSA-N 1 3 348.466 1.710 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782532 597338918 /nfs/dbraw/zinc/33/89/18/597338918.db2.gz WTVIYHBWWJOLJJ-WMZOPIPTSA-N 1 3 348.466 1.710 20 0 EDADHO COCCN(CCN(C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876879078 597367198 /nfs/dbraw/zinc/36/71/98/597367198.db2.gz NLWPPAFDMCPEHF-UHFFFAOYSA-N 1 3 340.493 1.260 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916410 597383916 /nfs/dbraw/zinc/38/39/16/597383916.db2.gz BDXKFFFYVOTSEK-ZWKOTPCHSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916410 597383918 /nfs/dbraw/zinc/38/39/18/597383918.db2.gz BDXKFFFYVOTSEK-ZWKOTPCHSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876962303 597399111 /nfs/dbraw/zinc/39/91/11/597399111.db2.gz OSBGAJDXAQLCOL-IRXDYDNUSA-N 1 3 334.439 1.357 20 0 EDADHO CCOC(=O)N[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000877145577 597442877 /nfs/dbraw/zinc/44/28/77/597442877.db2.gz LZVYZZVSHZAHLN-MRXNPFEDSA-N 1 3 343.512 1.972 20 0 EDADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877444720 597516514 /nfs/dbraw/zinc/51/65/14/597516514.db2.gz PAJWFFKBFZWPQA-CZUORRHYSA-N 1 3 333.480 1.639 20 0 EDADHO CCN1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300246 597705938 /nfs/dbraw/zinc/70/59/38/597705938.db2.gz RPJSUASKZVOWOB-KBPBESRZSA-N 1 3 331.526 1.557 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361479 597724951 /nfs/dbraw/zinc/72/49/51/597724951.db2.gz DVWJLNPZKIVAKI-GHMZBOCLSA-N 1 3 332.313 1.388 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C1(C[NH3+])CCCCC1)c1ccccc1 ZINC000883454125 597754139 /nfs/dbraw/zinc/75/41/39/597754139.db2.gz PYGSYGGAFRYDPA-GOSISDBHSA-N 1 3 346.519 1.999 20 0 EDADHO Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994403281 696826179 /nfs/dbraw/zinc/82/61/79/696826179.db2.gz BQTCTROYHJDVHM-FUHWJXTLSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994403281 696826183 /nfs/dbraw/zinc/82/61/83/696826183.db2.gz BQTCTROYHJDVHM-FUHWJXTLSA-N 1 3 330.476 1.955 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000920505542 697440499 /nfs/dbraw/zinc/44/04/99/697440499.db2.gz AUWOXDPJKSXOBR-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688861 697527629 /nfs/dbraw/zinc/52/76/29/697527629.db2.gz MUDSRSFJVITTLL-OALUTQOASA-N 1 3 343.471 1.406 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688861 697527632 /nfs/dbraw/zinc/52/76/32/697527632.db2.gz MUDSRSFJVITTLL-OALUTQOASA-N 1 3 343.471 1.406 20 0 EDADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCc1cncc(F)c1 ZINC000939055500 699116503 /nfs/dbraw/zinc/11/65/03/699116503.db2.gz ZMURZYDGPGBBQT-GUYCJALGSA-N 1 3 334.439 1.499 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137053 699223934 /nfs/dbraw/zinc/22/39/34/699223934.db2.gz DPNRXKIYBYFLSL-WBVHZDCISA-N 1 3 347.507 1.131 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC000939132128 699230846 /nfs/dbraw/zinc/23/08/46/699230846.db2.gz FNXKCOPGQGQFBA-WMLDXEAASA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567349 701579747 /nfs/dbraw/zinc/57/97/47/701579747.db2.gz ROTDBNHNNYUEOD-KRWDZBQOSA-N 1 3 336.524 1.203 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567349 701579748 /nfs/dbraw/zinc/57/97/48/701579748.db2.gz ROTDBNHNNYUEOD-KRWDZBQOSA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639733 701603184 /nfs/dbraw/zinc/60/31/84/701603184.db2.gz XNLKTUFHPCMHEE-SJORKVTESA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639733 701603185 /nfs/dbraw/zinc/60/31/85/701603185.db2.gz XNLKTUFHPCMHEE-SJORKVTESA-N 1 3 336.524 1.203 20 0 EDADHO Cc1ncoc1CNC[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165002 701604803 /nfs/dbraw/zinc/60/48/03/701604803.db2.gz CMNQNBHOLAQMEC-HUUCEWRRSA-N 1 3 332.448 1.453 20 0 EDADHO Cc1cnc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166165 701620123 /nfs/dbraw/zinc/62/01/23/701620123.db2.gz GGZFKOQIWIOJAW-HUUCEWRRSA-N 1 3 348.516 1.922 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000940148909 700281412 /nfs/dbraw/zinc/28/14/12/700281412.db2.gz FURIEVHPJIHDMS-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)nn1C ZINC000940149941 700283371 /nfs/dbraw/zinc/28/33/71/700283371.db2.gz SJNNZNFBKXTTCC-QGZVFWFLSA-N 1 3 347.507 1.539 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081423 700711446 /nfs/dbraw/zinc/71/14/46/700711446.db2.gz VADLTKKBDXNRPZ-GOEBONIOSA-N 1 3 334.464 1.699 20 0 EDADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C)N1CCCCCC1 ZINC000941076738 701104252 /nfs/dbraw/zinc/10/42/52/701104252.db2.gz ZTMVGORBBARDRZ-HOTGVXAUSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C)N1CCCCCC1 ZINC000941076738 701104254 /nfs/dbraw/zinc/10/42/54/701104254.db2.gz ZTMVGORBBARDRZ-HOTGVXAUSA-N 1 3 325.497 1.460 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168226 706595894 /nfs/dbraw/zinc/59/58/94/706595894.db2.gz GYVKYTMVQCJWGB-DAWZGUTISA-N 1 3 346.475 1.936 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170826 706600357 /nfs/dbraw/zinc/60/03/57/706600357.db2.gz SRNLBXLRBJKGIX-WBVHZDCISA-N 1 3 348.516 1.874 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802764 702047350 /nfs/dbraw/zinc/04/73/50/702047350.db2.gz OHLFZUIPBFHTPA-SJORKVTESA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802764 702047357 /nfs/dbraw/zinc/04/73/57/702047357.db2.gz OHLFZUIPBFHTPA-SJORKVTESA-N 1 3 347.507 1.620 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871356 702175065 /nfs/dbraw/zinc/17/50/65/702175065.db2.gz KSVIQZVOLGWCOQ-DLBZAZTESA-N 1 3 347.507 1.584 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NCc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896633 702201099 /nfs/dbraw/zinc/20/10/99/702201099.db2.gz PHVLQUJDEQILSF-IAGOWNOFSA-N 1 3 348.466 1.888 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995887140 702225335 /nfs/dbraw/zinc/22/53/35/702225335.db2.gz PBUSBVVRUMSLTE-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995887140 702225337 /nfs/dbraw/zinc/22/53/37/702225337.db2.gz PBUSBVVRUMSLTE-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)C1CCC1 ZINC000995920207 702241511 /nfs/dbraw/zinc/24/15/11/702241511.db2.gz TYQAHUWAECPITL-KRWDZBQOSA-N 1 3 347.507 1.274 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000995922569 702246162 /nfs/dbraw/zinc/24/61/62/702246162.db2.gz FLWALVWMYCZHQT-SJORKVTESA-N 1 3 347.507 1.698 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000996195402 702622116 /nfs/dbraw/zinc/62/21/16/702622116.db2.gz KATGVQMDZJJHBO-YQQAZPJKSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000996195402 702622119 /nfs/dbraw/zinc/62/21/19/702622119.db2.gz KATGVQMDZJJHBO-YQQAZPJKSA-N 1 3 347.507 1.477 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1)N(C)C ZINC000996316359 702704314 /nfs/dbraw/zinc/70/43/14/702704314.db2.gz YULXBCGXZRBNKH-ROUUACIJSA-N 1 3 347.503 1.846 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3ccccn3)C(C)(C)C2)C1 ZINC000996516511 702851999 /nfs/dbraw/zinc/85/19/99/702851999.db2.gz AMVGFQYPVYWIDN-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3ccccn3)C(C)(C)C2)C1 ZINC000996516511 702852002 /nfs/dbraw/zinc/85/20/02/702852002.db2.gz AMVGFQYPVYWIDN-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624191 702921851 /nfs/dbraw/zinc/92/18/51/702921851.db2.gz WYLRFMWILURYFW-MSOLQXFVSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C)C(N)=O ZINC000996663533 702961225 /nfs/dbraw/zinc/96/12/25/702961225.db2.gz OZWPBYUSZIHMPD-CZUORRHYSA-N 1 3 346.475 1.062 20 0 EDADHO CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996676776 702975773 /nfs/dbraw/zinc/97/57/73/702975773.db2.gz IDKCJTOHTKNEQL-SFHVURJKSA-N 1 3 348.491 1.966 20 0 EDADHO CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000996766931 703058380 /nfs/dbraw/zinc/05/83/80/703058380.db2.gz QNDDUCHIJWKCFV-ABHNRTSZSA-N 1 3 336.524 1.536 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000996767688 703058944 /nfs/dbraw/zinc/05/89/44/703058944.db2.gz QPPABJVAUOZUPU-UHFFFAOYSA-N 1 3 343.475 1.494 20 0 EDADHO O=C(N1CCC(NCc2nccs2)CC1)C12CCC[NH+]1CCC2 ZINC000996772744 703062735 /nfs/dbraw/zinc/06/27/35/703062735.db2.gz ZYCIVZPWPNRYFJ-UHFFFAOYSA-N 1 3 334.489 1.852 20 0 EDADHO Cc1nn(C)cc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598055 703112762 /nfs/dbraw/zinc/11/27/62/703112762.db2.gz QTRKLSRTDKLSOC-KBXCAEBGSA-N 1 3 347.507 1.397 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996903025 703177595 /nfs/dbraw/zinc/17/75/95/703177595.db2.gz GKHCZYAMLFNUPK-MRXNPFEDSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996903025 703177596 /nfs/dbraw/zinc/17/75/96/703177596.db2.gz GKHCZYAMLFNUPK-MRXNPFEDSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1nccc1CC[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000996999366 703256304 /nfs/dbraw/zinc/25/63/04/703256304.db2.gz NVFIMERVQJMTKB-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000997006538 703263897 /nfs/dbraw/zinc/26/38/97/703263897.db2.gz MQAKXYNATRBJSU-OAHLLOKOSA-N 1 3 346.475 1.513 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997059182 703304682 /nfs/dbraw/zinc/30/46/82/703304682.db2.gz WNONPNJTEIDWIQ-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366952 703601073 /nfs/dbraw/zinc/60/10/73/703601073.db2.gz QVYZBJWEADBURI-QAPCUYQASA-N 1 3 345.491 1.993 20 0 EDADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2ccccn2)CC1 ZINC000997390374 703657928 /nfs/dbraw/zinc/65/79/28/703657928.db2.gz OJLZACSKBRVDJN-MRXNPFEDSA-N 1 3 342.487 1.894 20 0 EDADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084030 704153060 /nfs/dbraw/zinc/15/30/60/704153060.db2.gz DQSQBXYLXWSJLG-MRXNPFEDSA-N 1 3 333.480 1.557 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997784457 704688347 /nfs/dbraw/zinc/68/83/47/704688347.db2.gz PHGWTLBLCSWNBR-KRWDZBQOSA-N 1 3 346.475 1.653 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)CCC1 ZINC000997822939 704742813 /nfs/dbraw/zinc/74/28/13/704742813.db2.gz HTFCHJFRFIRCSK-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)N(C)C ZINC000997843974 704759306 /nfs/dbraw/zinc/75/93/06/704759306.db2.gz KPVRUYXNCPHQMK-MSOLQXFVSA-N 1 3 339.524 1.827 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997860436 704769271 /nfs/dbraw/zinc/76/92/71/704769271.db2.gz HEZYTIGLLXRVPL-MAUKXSAKSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997860436 704769274 /nfs/dbraw/zinc/76/92/74/704769274.db2.gz HEZYTIGLLXRVPL-MAUKXSAKSA-N 1 3 330.476 1.750 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356105681 704972323 /nfs/dbraw/zinc/97/23/23/704972323.db2.gz JCSHSZDUVQOFSK-GJZGRUSLSA-N 1 3 332.448 1.469 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356105681 704972325 /nfs/dbraw/zinc/97/23/25/704972325.db2.gz JCSHSZDUVQOFSK-GJZGRUSLSA-N 1 3 332.448 1.469 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947720 705068760 /nfs/dbraw/zinc/06/87/60/705068760.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 1 3 348.495 1.075 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947720 705068767 /nfs/dbraw/zinc/06/87/67/705068767.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 1 3 348.495 1.075 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(CNCc3nccn3C)CC2)C1 ZINC000998080939 705300428 /nfs/dbraw/zinc/30/04/28/705300428.db2.gz GDMZOGDKWXKMCA-HNNXBMFYSA-N 1 3 333.480 1.090 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3nccn3C)CC2)C1 ZINC000998080939 705300430 /nfs/dbraw/zinc/30/04/30/705300430.db2.gz GDMZOGDKWXKMCA-HNNXBMFYSA-N 1 3 333.480 1.090 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1)N(C)C ZINC000998086695 705307242 /nfs/dbraw/zinc/30/72/42/705307242.db2.gz QZRVPPDIGJUYJA-SFHVURJKSA-N 1 3 347.507 1.498 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083586 705312462 /nfs/dbraw/zinc/31/24/62/705312462.db2.gz WNRXGYOOILWSKZ-HNNXBMFYSA-N 1 3 333.480 1.090 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)N(C)C ZINC000998085677 705317462 /nfs/dbraw/zinc/31/74/62/705317462.db2.gz ICVRSKSOBIOQPO-YOEHRIQHSA-N 1 3 333.480 1.706 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1)[NH+](C)C ZINC001032611081 705581514 /nfs/dbraw/zinc/58/15/14/705581514.db2.gz DNPWCBLFHGPLFV-OKZBNKHCSA-N 1 3 337.508 1.674 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000998268855 705645718 /nfs/dbraw/zinc/64/57/18/705645718.db2.gz JYSXHYKKKPKWAB-UHFFFAOYSA-N 1 3 336.505 1.876 20 0 EDADHO Cc1cccnc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269889 705646614 /nfs/dbraw/zinc/64/66/14/705646614.db2.gz PYIMDQLIKQPNFE-UHFFFAOYSA-N 1 3 330.476 1.814 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374989 706869318 /nfs/dbraw/zinc/86/93/18/706869318.db2.gz SRGUWVXURFEWHA-MOPGFXCFSA-N 1 3 345.487 1.600 20 0 EDADHO COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)ccn1 ZINC000999379756 706873970 /nfs/dbraw/zinc/87/39/70/706873970.db2.gz ZRFIOPZFSBQOOX-WMZOPIPTSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000999399573 706894198 /nfs/dbraw/zinc/89/41/98/706894198.db2.gz ILYZLTPXHNYWRJ-GJZGRUSLSA-N 1 3 334.468 1.068 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000999399573 706894201 /nfs/dbraw/zinc/89/42/01/706894201.db2.gz ILYZLTPXHNYWRJ-GJZGRUSLSA-N 1 3 334.468 1.068 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)s1 ZINC000999401927 706909693 /nfs/dbraw/zinc/90/96/93/706909693.db2.gz BBJRNIIRNIOSBA-GRTSSRMGSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406166 706915355 /nfs/dbraw/zinc/91/53/55/706915355.db2.gz LNDSAVHBRZGBPM-LMWSTFAQSA-N 1 3 337.493 1.410 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406166 706915356 /nfs/dbraw/zinc/91/53/56/706915356.db2.gz LNDSAVHBRZGBPM-LMWSTFAQSA-N 1 3 337.493 1.410 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999406886 706916624 /nfs/dbraw/zinc/91/66/24/706916624.db2.gz BKTNPMHYXUSHSP-OFLPRAFFSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC000999481167 706990123 /nfs/dbraw/zinc/99/01/23/706990123.db2.gz CJKQETJAYARCEG-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H](C(=O)N(C)C1CC(NCc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC000999500674 706998281 /nfs/dbraw/zinc/99/82/81/706998281.db2.gz DCPPEHOELLLQHU-QQFBHYJXSA-N 1 3 348.495 1.159 20 0 EDADHO COC(=O)c1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000921734269 707922629 /nfs/dbraw/zinc/92/26/29/707922629.db2.gz UWXHHXBKTIFRTD-INIZCTEOSA-N 1 3 349.450 1.870 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580718 708261771 /nfs/dbraw/zinc/26/17/71/708261771.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 1 3 345.487 1.553 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580718 708261774 /nfs/dbraw/zinc/26/17/74/708261774.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 1 3 345.487 1.553 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665947 708449814 /nfs/dbraw/zinc/44/98/14/708449814.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665947 708449816 /nfs/dbraw/zinc/44/98/16/708449816.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033661885 708475587 /nfs/dbraw/zinc/47/55/87/708475587.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 1 3 333.451 1.853 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033661885 708475588 /nfs/dbraw/zinc/47/55/88/708475588.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 1 3 333.451 1.853 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042732 708532857 /nfs/dbraw/zinc/53/28/57/708532857.db2.gz HVTWTSXGWMFUFJ-UHFFFAOYSA-N 1 3 342.487 1.814 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001002790874 709398431 /nfs/dbraw/zinc/39/84/31/709398431.db2.gz BDMXKADSSZULNK-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000702403846 709553264 /nfs/dbraw/zinc/55/32/64/709553264.db2.gz WKSRLCOGKGMXPV-MSOLQXFVSA-N 1 3 344.503 1.294 20 0 EDADHO CN(C)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000702403846 709553267 /nfs/dbraw/zinc/55/32/67/709553267.db2.gz WKSRLCOGKGMXPV-MSOLQXFVSA-N 1 3 344.503 1.294 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCOC2CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034210290 709560192 /nfs/dbraw/zinc/56/01/92/709560192.db2.gz GKBLXAAFHGKZIF-IEBWSBKVSA-N 1 3 349.519 1.868 20 0 EDADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1)C(N)=O ZINC001034643970 710320125 /nfs/dbraw/zinc/32/01/25/710320125.db2.gz GKCSVHJOAIRXOO-RBSFLKMASA-N 1 3 338.496 1.142 20 0 EDADHO C[NH+]1CCC(C(=O)NC2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC001003549123 710414417 /nfs/dbraw/zinc/41/44/17/710414417.db2.gz ZREMMULNOCFQQQ-LJQANCHMSA-N 1 3 345.487 1.642 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC001034722336 710889413 /nfs/dbraw/zinc/88/94/13/710889413.db2.gz WPWSVXHNBNVXRD-WKILWMFISA-N 1 3 334.464 1.842 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)C1 ZINC001034776642 711053055 /nfs/dbraw/zinc/05/30/55/711053055.db2.gz VVLLOGQGIVCKPJ-MGPQQGTHSA-N 1 3 337.493 1.397 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)C1 ZINC001034776642 711053059 /nfs/dbraw/zinc/05/30/59/711053059.db2.gz VVLLOGQGIVCKPJ-MGPQQGTHSA-N 1 3 337.493 1.397 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792151 711118752 /nfs/dbraw/zinc/11/87/52/711118752.db2.gz GFMZAWJDVVNYMM-ATGSNQNLSA-N 1 3 334.468 1.143 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792151 711118754 /nfs/dbraw/zinc/11/87/54/711118754.db2.gz GFMZAWJDVVNYMM-ATGSNQNLSA-N 1 3 334.468 1.143 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885270 711289636 /nfs/dbraw/zinc/28/96/36/711289636.db2.gz RTVYCJNHSDPZIB-RHSMWYFYSA-N 1 3 343.431 1.398 20 0 EDADHO CN(C)C1(C(=O)N(C)CCCN(C)C(=O)CCC[NH+](C)C)CCC1 ZINC001067636197 711870729 /nfs/dbraw/zinc/87/07/29/711870729.db2.gz LPUNIMXOALLYFX-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000362945500 282150237 /nfs/dbraw/zinc/15/02/37/282150237.db2.gz SOZZYWVNNRWXME-QGZVFWFLSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000362945500 282150238 /nfs/dbraw/zinc/15/02/38/282150238.db2.gz SOZZYWVNNRWXME-QGZVFWFLSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422589671 282172726 /nfs/dbraw/zinc/17/27/26/282172726.db2.gz JTNPHEFSKHJNTO-QGZVFWFLSA-N 1 3 330.476 1.697 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000167308716 529999927 /nfs/dbraw/zinc/99/99/27/529999927.db2.gz VWRFCZBPFLXRTK-IBGZPJMESA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000167308716 529999928 /nfs/dbraw/zinc/99/99/28/529999928.db2.gz VWRFCZBPFLXRTK-IBGZPJMESA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000350167900 282388689 /nfs/dbraw/zinc/38/86/89/282388689.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 1 3 348.535 1.393 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000350167900 282388696 /nfs/dbraw/zinc/38/86/96/282388696.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 1 3 348.535 1.393 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000560747010 306278508 /nfs/dbraw/zinc/27/85/08/306278508.db2.gz JDUZTOFADZPRPO-SJORKVTESA-N 1 3 337.533 1.899 20 0 EDADHO c1cnc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970745 306281377 /nfs/dbraw/zinc/28/13/77/306281377.db2.gz TXQGYLDFGGCULA-KZNAEPCWSA-N 1 3 344.507 1.109 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)C(C)C)CC2)CC1 ZINC000561298978 306286646 /nfs/dbraw/zinc/28/66/46/306286646.db2.gz CMRVKVRJRJYSSF-KRWDZBQOSA-N 1 3 325.497 1.316 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000562808744 306309949 /nfs/dbraw/zinc/30/99/49/306309949.db2.gz QAWFBESCYBAJHN-HOTGVXAUSA-N 1 3 331.464 1.725 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000563198113 306322803 /nfs/dbraw/zinc/32/28/03/306322803.db2.gz FUHJQAIWVHQGQX-INIZCTEOSA-N 1 3 346.475 1.711 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000563409956 306332159 /nfs/dbraw/zinc/33/21/59/306332159.db2.gz ZPKFIUBHCBFVGQ-AEFFLSMTSA-N 1 3 337.508 1.460 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)n(C2CCN(C)CC2)n1 ZINC000563464850 306334870 /nfs/dbraw/zinc/33/48/70/306334870.db2.gz JQSBPDZKLLDJPI-OAHLLOKOSA-N 1 3 348.495 1.968 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579994 138279600 /nfs/dbraw/zinc/27/96/00/138279600.db2.gz QXRTVQGFCBKTEW-RDBSUJKOSA-N 1 3 345.534 1.687 20 0 EDADHO O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000563945706 306352898 /nfs/dbraw/zinc/35/28/98/306352898.db2.gz HBUIUDXLBVMGPR-GOSISDBHSA-N 1 3 328.460 1.870 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cnccn3)CC2)CC1 ZINC000564196921 306356429 /nfs/dbraw/zinc/35/64/29/306356429.db2.gz RVFPFRHPLUPIKJ-UHFFFAOYSA-N 1 3 345.491 1.631 20 0 EDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000447594952 299299431 /nfs/dbraw/zinc/29/94/31/299299431.db2.gz JUEUTJQLZRIWJP-HKUYNNGSSA-N 1 3 335.492 1.616 20 0 EDADHO NC[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354849 306382209 /nfs/dbraw/zinc/38/22/09/306382209.db2.gz ZWEFXLHUURBRCE-SJLPKXTDSA-N 1 3 331.460 1.620 20 0 EDADHO NC[C@@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354849 306382210 /nfs/dbraw/zinc/38/22/10/306382210.db2.gz ZWEFXLHUURBRCE-SJLPKXTDSA-N 1 3 331.460 1.620 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000565639451 306388214 /nfs/dbraw/zinc/38/82/14/306388214.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000565639451 306388215 /nfs/dbraw/zinc/38/82/15/306388215.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 1 3 337.508 1.604 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000566137748 306399916 /nfs/dbraw/zinc/39/99/16/306399916.db2.gz HHSHLCWSQAWGRH-YESZJQIVSA-N 1 3 337.533 1.757 20 0 EDADHO CCc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414490450 304119715 /nfs/dbraw/zinc/11/97/15/304119715.db2.gz XMDLYVNYZGUBTO-UHFFFAOYSA-N 1 3 332.492 1.530 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)C1 ZINC000414701332 304130011 /nfs/dbraw/zinc/13/00/11/304130011.db2.gz GVTGLJGEYXILPC-RBUKOAKNSA-N 1 3 345.487 1.517 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)C1 ZINC000414701332 304130014 /nfs/dbraw/zinc/13/00/14/304130014.db2.gz GVTGLJGEYXILPC-RBUKOAKNSA-N 1 3 345.487 1.517 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000414710344 304131362 /nfs/dbraw/zinc/13/13/62/304131362.db2.gz SICHCEKSUTUHSU-GJZGRUSLSA-N 1 3 346.475 1.581 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000414712862 304131593 /nfs/dbraw/zinc/13/15/93/304131593.db2.gz VKZJEIBKDZSUAN-HUUCEWRRSA-N 1 3 346.475 1.724 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000414714985 304131797 /nfs/dbraw/zinc/13/17/97/304131797.db2.gz WWGVHONJAUVSJV-HUUCEWRRSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+]1CCCC1 ZINC000414731622 304134069 /nfs/dbraw/zinc/13/40/69/304134069.db2.gz ICZPIANUVGSHCE-QGZVFWFLSA-N 1 3 344.459 1.465 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000414732011 304134090 /nfs/dbraw/zinc/13/40/90/304134090.db2.gz FPKAWGWVCRPELO-QGZVFWFLSA-N 1 3 348.491 1.827 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)c1 ZINC000414745921 304136438 /nfs/dbraw/zinc/13/64/38/304136438.db2.gz YFXQDNRFLAZNSW-KRWDZBQOSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415075394 304157890 /nfs/dbraw/zinc/15/78/90/304157890.db2.gz FALATFIRJBLEHQ-AWEZNQCLSA-N 1 3 334.464 1.691 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237200256 139043876 /nfs/dbraw/zinc/04/38/76/139043876.db2.gz IGMHEIWBRUQVPH-INIZCTEOSA-N 1 3 333.476 1.913 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237200256 139043877 /nfs/dbraw/zinc/04/38/77/139043877.db2.gz IGMHEIWBRUQVPH-INIZCTEOSA-N 1 3 333.476 1.913 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480420 205211275 /nfs/dbraw/zinc/21/12/75/205211275.db2.gz FYZZUMUEIYMVKS-SJORKVTESA-N 1 3 341.496 1.007 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000111806047 220193865 /nfs/dbraw/zinc/19/38/65/220193865.db2.gz SKXNXEPGUMXBBF-UHFFFAOYSA-N 1 3 348.491 1.252 20 0 EDADHO NC[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000238011067 139066482 /nfs/dbraw/zinc/06/64/82/139066482.db2.gz WNLQBJVXOMISNM-LJQANCHMSA-N 1 3 345.487 1.832 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238040013 139067344 /nfs/dbraw/zinc/06/73/44/139067344.db2.gz NCCBEHFWVFFOED-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111852200 220209436 /nfs/dbraw/zinc/20/94/36/220209436.db2.gz YYYNRRUDZLTZJT-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246794264 139121770 /nfs/dbraw/zinc/12/17/70/139121770.db2.gz QEMCNOAVPAYSDC-TWMKSMIVSA-N 1 3 337.508 1.865 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000247023056 139131710 /nfs/dbraw/zinc/13/17/10/139131710.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 1 3 348.491 1.656 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247023056 139131711 /nfs/dbraw/zinc/13/17/11/139131711.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 1 3 348.491 1.656 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000247235489 139141680 /nfs/dbraw/zinc/14/16/80/139141680.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000247235489 139141681 /nfs/dbraw/zinc/14/16/81/139141681.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000247331742 139145273 /nfs/dbraw/zinc/14/52/73/139145273.db2.gz VDMGYROSLYKGIB-HOCLYGCPSA-N 1 3 341.377 1.919 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248796953 139175703 /nfs/dbraw/zinc/17/57/03/139175703.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248796953 139175704 /nfs/dbraw/zinc/17/57/04/139175704.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)O1 ZINC000261914682 139236648 /nfs/dbraw/zinc/23/66/48/139236648.db2.gz YAJOFZJUTXOASB-ZBFHGGJFSA-N 1 3 337.489 1.583 20 0 EDADHO CNCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414858013 250867032 /nfs/dbraw/zinc/86/70/32/250867032.db2.gz HGEJAHYUOJKRHD-UHFFFAOYSA-N 1 3 325.478 1.347 20 0 EDADHO C[NH2+]CCCNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414858013 250867036 /nfs/dbraw/zinc/86/70/36/250867036.db2.gz HGEJAHYUOJKRHD-UHFFFAOYSA-N 1 3 325.478 1.347 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000416796543 251110463 /nfs/dbraw/zinc/11/04/63/251110463.db2.gz WXLMQPCDGVTCOO-QGZVFWFLSA-N 1 3 330.476 1.902 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416831406 251111506 /nfs/dbraw/zinc/11/15/06/251111506.db2.gz VMORVNQZHBILIW-RHSMWYFYSA-N 1 3 334.464 1.739 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417019363 251135019 /nfs/dbraw/zinc/13/50/19/251135019.db2.gz IOSUILURODPEKN-INIZCTEOSA-N 1 3 330.476 1.686 20 0 EDADHO CC[C@H](CNC(=O)N1CCNC[C@@H]1C)N1CCc2ccccc2C1 ZINC000417026211 251139162 /nfs/dbraw/zinc/13/91/62/251139162.db2.gz YOVJDARCXKYYJC-MAUKXSAKSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@H](CNC(=O)N1CCNC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417026211 251139166 /nfs/dbraw/zinc/13/91/66/251139166.db2.gz YOVJDARCXKYYJC-MAUKXSAKSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@H](CNC(=O)N1CCNC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417026211 251139173 /nfs/dbraw/zinc/13/91/73/251139173.db2.gz YOVJDARCXKYYJC-MAUKXSAKSA-N 1 3 330.476 1.827 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417089889 251140909 /nfs/dbraw/zinc/14/09/09/251140909.db2.gz SGWMYQDQAVFFEU-GUDVDZBRSA-N 1 3 342.487 1.902 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000417090553 251141307 /nfs/dbraw/zinc/14/13/07/251141307.db2.gz XAPVEDGSHMWHGX-ROUUACIJSA-N 1 3 346.475 1.410 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000417518869 251182829 /nfs/dbraw/zinc/18/28/29/251182829.db2.gz TXXUXIWQKCQZBD-SZMVWBNQSA-N 1 3 348.491 1.685 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417550611 251186666 /nfs/dbraw/zinc/18/66/66/251186666.db2.gz WCFYYZIIAWFZFF-CABCVRRESA-N 1 3 340.512 1.502 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262373403 139274065 /nfs/dbraw/zinc/27/40/65/139274065.db2.gz LZIQJBDTTDYTPS-OAHLLOKOSA-N 1 3 345.487 1.879 20 0 EDADHO C[C@@H](C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262456768 139280358 /nfs/dbraw/zinc/28/03/58/139280358.db2.gz IESUYVWFLIYKIN-VKJFTORMSA-N 1 3 333.476 1.532 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753721 251256731 /nfs/dbraw/zinc/25/67/31/251256731.db2.gz UOQZJWDXGRVPRF-AEFFLSMTSA-N 1 3 347.507 1.259 20 0 EDADHO CC(C)(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417783453 251267882 /nfs/dbraw/zinc/26/78/82/251267882.db2.gz NHYIKVTUQFVSPZ-HOTGVXAUSA-N 1 3 346.475 1.026 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418434007 251369980 /nfs/dbraw/zinc/36/99/80/251369980.db2.gz DYEWNYMBYGHHOI-LJQANCHMSA-N 1 3 348.491 1.440 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000418443849 251372683 /nfs/dbraw/zinc/37/26/83/251372683.db2.gz AKCORDJTWDXKKW-FUHWJXTLSA-N 1 3 348.491 1.896 20 0 EDADHO C[C@@H](C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H](C)[NH3+] ZINC000262528956 139284451 /nfs/dbraw/zinc/28/44/51/139284451.db2.gz MOMWQYREHBBTIM-CABCVRRESA-N 1 3 346.475 1.112 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418385277 251363739 /nfs/dbraw/zinc/36/37/39/251363739.db2.gz PDBWNPDCBLWANS-AWEZNQCLSA-N 1 3 326.391 1.400 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415587999 304233719 /nfs/dbraw/zinc/23/37/19/304233719.db2.gz ZLZKRIBXRKRZLZ-UKRRQHHQSA-N 1 3 332.448 1.191 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262716407 139298545 /nfs/dbraw/zinc/29/85/45/139298545.db2.gz VTTWPTHPDWQAPD-HOCLYGCPSA-N 1 3 332.448 1.450 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262716407 139298546 /nfs/dbraw/zinc/29/85/46/139298546.db2.gz VTTWPTHPDWQAPD-HOCLYGCPSA-N 1 3 332.448 1.450 20 0 EDADHO COC[C@@H](CCC[NH3+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000422874843 252008431 /nfs/dbraw/zinc/00/84/31/252008431.db2.gz DKGAMTSPPVTJDY-HLLBOEOZSA-N 1 3 336.480 1.539 20 0 EDADHO CN(C)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894933 252015593 /nfs/dbraw/zinc/01/55/93/252015593.db2.gz DMXVPFGLOHWXPK-XUVXKRRUSA-N 1 3 347.503 1.874 20 0 EDADHO CN(CCN[C@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094572 252037132 /nfs/dbraw/zinc/03/71/32/252037132.db2.gz KKMBGBZOTQKVSF-WFASDCNBSA-N 1 3 329.441 1.163 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796910 252079825 /nfs/dbraw/zinc/07/98/25/252079825.db2.gz MFBLOQLLZOFKQN-QGZVFWFLSA-N 1 3 330.476 1.881 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795943 252079909 /nfs/dbraw/zinc/07/99/09/252079909.db2.gz KYZNPJWSXXPWDW-PKOBYXMFSA-N 1 3 330.476 1.752 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108107 285022818 /nfs/dbraw/zinc/02/28/18/285022818.db2.gz FHLAKCTVHZDCNO-BBWFWOEESA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480272 285036958 /nfs/dbraw/zinc/03/69/58/285036958.db2.gz FYZZUMUEIYMVKS-DLBZAZTESA-N 1 3 341.496 1.007 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000363195946 285248326 /nfs/dbraw/zinc/24/83/26/285248326.db2.gz JZPMBIDNCRPXQW-SQNIBIBYSA-N 1 3 347.507 1.398 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000363195946 285248327 /nfs/dbraw/zinc/24/83/27/285248327.db2.gz JZPMBIDNCRPXQW-SQNIBIBYSA-N 1 3 347.507 1.398 20 0 EDADHO CCn1nccc1/C=C\C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000492223459 255163485 /nfs/dbraw/zinc/16/34/85/255163485.db2.gz AXDCVLIUYHKLMW-LPADLIQXSA-N 1 3 347.507 1.791 20 0 EDADHO CCn1nccc1/C=C\C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000492223459 255163486 /nfs/dbraw/zinc/16/34/86/255163486.db2.gz AXDCVLIUYHKLMW-LPADLIQXSA-N 1 3 347.507 1.791 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358817314 285269854 /nfs/dbraw/zinc/26/98/54/285269854.db2.gz BTWITVGAAQNJLG-GJZGRUSLSA-N 1 3 340.512 1.022 20 0 EDADHO CN1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380698 /nfs/dbraw/zinc/38/06/98/139380698.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 1 3 344.503 1.898 20 0 EDADHO CN1CCCN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380699 /nfs/dbraw/zinc/38/06/99/139380699.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 1 3 344.503 1.898 20 0 EDADHO COCCN(CCN(C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264192263 139385730 /nfs/dbraw/zinc/38/57/30/139385730.db2.gz PBDZYGWGGQWBLI-UHFFFAOYSA-N 1 3 333.476 1.933 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@H]1[NH3+] ZINC000415836729 304279760 /nfs/dbraw/zinc/27/97/60/304279760.db2.gz XVWYZPJAKFDJEB-RHSMWYFYSA-N 1 3 344.459 1.417 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415882602 304284154 /nfs/dbraw/zinc/28/41/54/304284154.db2.gz LFXPQLPCMLKQPB-UHFFFAOYSA-N 1 3 346.475 1.955 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000415915546 304285351 /nfs/dbraw/zinc/28/53/51/304285351.db2.gz FUXZCNBGUKDPME-HNNXBMFYSA-N 1 3 333.480 1.411 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000415934965 304286247 /nfs/dbraw/zinc/28/62/47/304286247.db2.gz SYFMIBVOMCLRIK-INIZCTEOSA-N 1 3 334.464 1.764 20 0 EDADHO CO[C@H](CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000416142439 304291569 /nfs/dbraw/zinc/29/15/69/304291569.db2.gz GWESRZHKBPNCJB-QGZVFWFLSA-N 1 3 325.497 1.722 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NCCCN1CCN(c2ccncc2)CC1 ZINC000270349880 140083938 /nfs/dbraw/zinc/08/39/38/140083938.db2.gz SKGUKWACGZYHGR-QGZVFWFLSA-N 1 3 345.491 1.100 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271043884 140226026 /nfs/dbraw/zinc/22/60/26/140226026.db2.gz RLWDYHYKVORGFC-MRXNPFEDSA-N 1 3 347.503 1.961 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000332366140 141169746 /nfs/dbraw/zinc/16/97/46/141169746.db2.gz YLHXTLDCARUAMU-CRAIPNDOSA-N 1 3 330.476 1.948 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000332366141 141169818 /nfs/dbraw/zinc/16/98/18/141169818.db2.gz YLHXTLDCARUAMU-MAUKXSAKSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CN1C1CC1 ZINC000333144953 141271515 /nfs/dbraw/zinc/27/15/15/141271515.db2.gz DNXMFBCKZWGZLL-QXRTWZOPSA-N 1 3 328.460 1.748 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333324341 141299443 /nfs/dbraw/zinc/29/94/43/141299443.db2.gz QGUQIJYTSMCRRX-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)NC1CC[NH2+]CC1 ZINC000333442217 141317672 /nfs/dbraw/zinc/31/76/72/141317672.db2.gz WGVIFMNUUZEOTN-UHFFFAOYSA-N 1 3 340.537 1.789 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333627516 141347216 /nfs/dbraw/zinc/34/72/16/141347216.db2.gz GBBGZHXKFPDSEG-JSSFPYSZSA-N 1 3 348.466 1.911 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796914 141383659 /nfs/dbraw/zinc/38/36/59/141383659.db2.gz HDQIBXKPIICALS-RHSMWYFYSA-N 1 3 338.496 1.399 20 0 EDADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333839588 141391839 /nfs/dbraw/zinc/39/18/39/141391839.db2.gz NZKDMHJERICGTR-BDXSIMOUSA-N 1 3 343.475 1.295 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340120081 142272087 /nfs/dbraw/zinc/27/20/87/142272087.db2.gz QIZIDBWEVQEZHQ-FUHWJXTLSA-N 1 3 345.491 1.085 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000340254483 142320922 /nfs/dbraw/zinc/32/09/22/142320922.db2.gz HYDHTRAGGMECNN-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3C(F)F)CC2)CC1 ZINC000344728738 143004019 /nfs/dbraw/zinc/00/40/19/143004019.db2.gz WJDUKGOXBVUZGD-ZIAGYGMSSA-N 1 3 330.423 1.498 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000344903505 143025409 /nfs/dbraw/zinc/02/54/09/143025409.db2.gz GFYKEDWZFHUFDV-INIZCTEOSA-N 1 3 330.542 1.797 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319949 143077373 /nfs/dbraw/zinc/07/73/73/143077373.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319949 143077374 /nfs/dbraw/zinc/07/73/74/143077374.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 1 3 344.503 1.647 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)N(C)C1 ZINC000345869584 143141642 /nfs/dbraw/zinc/14/16/42/143141642.db2.gz WPIRZHVHRVNTTI-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)C(=O)COc1ccccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346823927 143249311 /nfs/dbraw/zinc/24/93/11/143249311.db2.gz GBPSIRXONXVWMP-XIRDDKMYSA-N 1 3 331.460 1.713 20 0 EDADHO c1nc(N2CCOCC2)sc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347219444 143296477 /nfs/dbraw/zinc/29/64/77/143296477.db2.gz SLIYEUAKAGMMJM-INIZCTEOSA-N 1 3 336.505 1.944 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000347327345 143309054 /nfs/dbraw/zinc/30/90/54/143309054.db2.gz MUIXWZNRAMHMOI-IAGOWNOFSA-N 1 3 342.528 1.856 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000347420186 143318986 /nfs/dbraw/zinc/31/89/86/143318986.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 1 3 328.501 1.110 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000347420186 143318987 /nfs/dbraw/zinc/31/89/87/143318987.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 1 3 328.501 1.110 20 0 EDADHO CCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000347454552 143323423 /nfs/dbraw/zinc/32/34/23/143323423.db2.gz LVNDAUBGNZWYSA-MOPGFXCFSA-N 1 3 346.519 1.999 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416841249 304350685 /nfs/dbraw/zinc/35/06/85/304350685.db2.gz LVNKRSUQTSZZQO-KURKYZTESA-N 1 3 330.476 1.410 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000416858319 304352376 /nfs/dbraw/zinc/35/23/76/304352376.db2.gz YXYOUTPYAVXQDG-BPQIPLTHSA-N 1 3 332.492 1.928 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCC2C[NH2+]C2)N2CCCC2)c1 ZINC000416861199 304352690 /nfs/dbraw/zinc/35/26/90/304352690.db2.gz WUDXGCPNVZSKTO-QGZVFWFLSA-N 1 3 332.448 1.351 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416972705 304358264 /nfs/dbraw/zinc/35/82/64/304358264.db2.gz SNBRDUZEXRSAHR-INIZCTEOSA-N 1 3 348.491 1.816 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416979189 304360241 /nfs/dbraw/zinc/36/02/41/304360241.db2.gz WRTPJFNWOLDQLI-PBHICJAKSA-N 1 3 334.464 1.424 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000357600535 151081058 /nfs/dbraw/zinc/08/10/58/151081058.db2.gz RWJUHHMYMPZCIJ-AWEZNQCLSA-N 1 3 346.475 1.328 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000357600535 151081061 /nfs/dbraw/zinc/08/10/61/151081061.db2.gz RWJUHHMYMPZCIJ-AWEZNQCLSA-N 1 3 346.475 1.328 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000358120016 151278728 /nfs/dbraw/zinc/27/87/28/151278728.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000358120016 151278730 /nfs/dbraw/zinc/27/87/30/151278730.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO CCOc1cccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358497547 151395157 /nfs/dbraw/zinc/39/51/57/151395157.db2.gz BQXOOAQVCCBQIH-UHFFFAOYSA-N 1 3 331.460 1.777 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360413614 152028990 /nfs/dbraw/zinc/02/89/90/152028990.db2.gz MCUKPDXAUSANMB-GOEBONIOSA-N 1 3 330.542 1.699 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCN(C)CC1 ZINC000360692693 152155963 /nfs/dbraw/zinc/15/59/63/152155963.db2.gz JKVPPHJFOAOKPY-GJZGRUSLSA-N 1 3 340.537 1.692 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCN(C)CC1 ZINC000360692693 152155965 /nfs/dbraw/zinc/15/59/65/152155965.db2.gz JKVPPHJFOAOKPY-GJZGRUSLSA-N 1 3 340.537 1.692 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C[C@H](C[NH3+])OC)N2CCCC2)cc1 ZINC000262819065 286357367 /nfs/dbraw/zinc/35/73/67/286357367.db2.gz GQIHKMIFLTUTHO-IAGOWNOFSA-N 1 3 335.448 1.312 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364740305 153319883 /nfs/dbraw/zinc/31/98/83/153319883.db2.gz QUZHXPDFRLNXGG-JKSUJKDBSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364740305 153319887 /nfs/dbraw/zinc/31/98/87/153319887.db2.gz QUZHXPDFRLNXGG-JKSUJKDBSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417196417 304383542 /nfs/dbraw/zinc/38/35/42/304383542.db2.gz PGZNVZILXHGCJU-OTWHNJEPSA-N 1 3 344.503 1.800 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927660 154330969 /nfs/dbraw/zinc/33/09/69/154330969.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 1 3 336.398 1.875 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367927660 154330974 /nfs/dbraw/zinc/33/09/74/154330974.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 1 3 336.398 1.875 20 0 EDADHO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000371598339 156024100 /nfs/dbraw/zinc/02/41/00/156024100.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000371598339 156024102 /nfs/dbraw/zinc/02/41/02/156024102.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 1 3 345.491 1.687 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373038787 292337626 /nfs/dbraw/zinc/33/76/26/292337626.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 1 3 325.497 1.868 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000373038787 292337627 /nfs/dbraw/zinc/33/76/27/292337627.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000417526203 304403375 /nfs/dbraw/zinc/40/33/75/304403375.db2.gz MGURMPONVJOCIG-MAUKXSAKSA-N 1 3 348.491 1.548 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417532389 304403852 /nfs/dbraw/zinc/40/38/52/304403852.db2.gz VVAJHZZVGFMJHO-MAUKXSAKSA-N 1 3 348.491 1.609 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCOCC3)C2)CC1 ZINC000374357843 157259097 /nfs/dbraw/zinc/25/90/97/157259097.db2.gz LJSSMFKXTSNFJV-KRWDZBQOSA-N 1 3 337.508 1.724 20 0 EDADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](N)CCSC)CC2)CC1 ZINC000378208685 158109893 /nfs/dbraw/zinc/10/98/93/158109893.db2.gz WENRJQZXJNMQCB-INIZCTEOSA-N 1 3 342.553 1.085 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418583850 286826944 /nfs/dbraw/zinc/82/69/44/286826944.db2.gz AWUYUAYHAYETSC-KKUMJFAQSA-N 1 3 326.485 1.255 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000352207775 162050736 /nfs/dbraw/zinc/05/07/36/162050736.db2.gz CWYWPRLVLXTJBR-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418182092 304460898 /nfs/dbraw/zinc/46/08/98/304460898.db2.gz MDCFEJBLXDJWNO-DOTOQJQBSA-N 1 3 336.480 1.521 20 0 EDADHO COc1cc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000087304375 287318448 /nfs/dbraw/zinc/31/84/48/287318448.db2.gz PBRLSPBPFQPECZ-UHFFFAOYSA-N 1 3 337.464 1.578 20 0 EDADHO CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759637 452325360 /nfs/dbraw/zinc/32/53/60/452325360.db2.gz LPHSQQAELYLUSK-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759637 452325371 /nfs/dbraw/zinc/32/53/71/452325371.db2.gz LPHSQQAELYLUSK-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000122139147 222023579 /nfs/dbraw/zinc/02/35/79/222023579.db2.gz FIIZKPOYAUGJBB-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000122139147 222023580 /nfs/dbraw/zinc/02/35/80/222023580.db2.gz FIIZKPOYAUGJBB-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO [NH3+]C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000238070273 273014184 /nfs/dbraw/zinc/01/41/84/273014184.db2.gz QYZWOFRBEVOXSW-KRWDZBQOSA-N 1 3 330.476 1.396 20 0 EDADHO CC[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000274628211 268171977 /nfs/dbraw/zinc/17/19/77/268171977.db2.gz QWKJDFGWIATIMZ-LJQANCHMSA-N 1 3 345.491 1.242 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000277404107 268547725 /nfs/dbraw/zinc/54/77/25/268547725.db2.gz FCADCBABZULJSI-JLJPHGGASA-N 1 3 333.432 1.069 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000277404107 268547727 /nfs/dbraw/zinc/54/77/27/268547727.db2.gz FCADCBABZULJSI-JLJPHGGASA-N 1 3 333.432 1.069 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000162802187 272931382 /nfs/dbraw/zinc/93/13/82/272931382.db2.gz PSEXPWSKFRHHQP-UHFFFAOYSA-N 1 3 348.491 1.733 20 0 EDADHO CCC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262140599 276023891 /nfs/dbraw/zinc/02/38/91/276023891.db2.gz LYQFSQUIQNRTRQ-MSOLQXFVSA-N 1 3 332.492 1.609 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)[C@@H]2CCOC2)CC1 ZINC000360771080 276203659 /nfs/dbraw/zinc/20/36/59/276203659.db2.gz HEIRHUXPMHJOCE-RTBURBONSA-N 1 3 347.503 1.563 20 0 EDADHO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCCN2CCC[C@@H]2CO)C1 ZINC000352550124 278116872 /nfs/dbraw/zinc/11/68/72/278116872.db2.gz KJBBBXUMHCYEDP-ARFHVFGLSA-N 1 3 332.510 1.169 20 0 EDADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000424045066 278351391 /nfs/dbraw/zinc/35/13/91/278351391.db2.gz STYMWPMLZFXEFO-MSOLQXFVSA-N 1 3 349.519 1.866 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000106524199 279366573 /nfs/dbraw/zinc/36/65/73/279366573.db2.gz RYNHWTZLSVMTIO-GOSISDBHSA-N 1 3 349.523 1.035 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1[NH+](C)C ZINC000271829809 279796029 /nfs/dbraw/zinc/79/60/29/279796029.db2.gz RVKLDLLZAIPXJK-YJBOKZPZSA-N 1 3 345.491 1.890 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000287296334 288203375 /nfs/dbraw/zinc/20/33/75/288203375.db2.gz UDBOEJPQUGMBMV-WBVHZDCISA-N 1 3 346.475 1.721 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000287563978 288266600 /nfs/dbraw/zinc/26/66/00/288266600.db2.gz VGNSRDYGEUJGTI-RYQLBKOJSA-N 1 3 348.491 1.698 20 0 EDADHO CO[C@H](CN)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000290031877 288825202 /nfs/dbraw/zinc/82/52/02/288825202.db2.gz GACKLSUWSCSBLB-MRXNPFEDSA-N 1 3 338.427 1.268 20 0 EDADHO CCN(C)CCNC(=O)c1cc(C)cc(C(=O)NCC[N@H+](C)CC)c1 ZINC000291955612 289224947 /nfs/dbraw/zinc/22/49/47/289224947.db2.gz OMCODWNBFCEUTD-UHFFFAOYSA-N 1 3 348.491 1.358 20 0 EDADHO CCN(C)CCNC(=O)c1cc(C)cc(C(=O)NCC[N@@H+](C)CC)c1 ZINC000291955612 289224949 /nfs/dbraw/zinc/22/49/49/289224949.db2.gz OMCODWNBFCEUTD-UHFFFAOYSA-N 1 3 348.491 1.358 20 0 EDADHO CN1CC[C@]2(CC[N@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269228 /nfs/dbraw/zinc/26/92/28/289269228.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 1 3 329.444 1.935 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131785 289269231 /nfs/dbraw/zinc/26/92/31/289269231.db2.gz LHLWBZFOLQJFHJ-KXBFYZLASA-N 1 3 329.444 1.935 20 0 EDADHO CN(C[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478520 289303026 /nfs/dbraw/zinc/30/30/26/289303026.db2.gz YDDZHRPVDNLBIL-RBSFLKMASA-N 1 3 329.485 1.677 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496478520 289303028 /nfs/dbraw/zinc/30/30/28/289303028.db2.gz YDDZHRPVDNLBIL-RBSFLKMASA-N 1 3 329.485 1.677 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cncnc1 ZINC000292301175 289310769 /nfs/dbraw/zinc/31/07/69/289310769.db2.gz PZGSTWRXFCXOFZ-QGZVFWFLSA-N 1 3 333.480 1.284 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cncnc1 ZINC000292301175 289310771 /nfs/dbraw/zinc/31/07/71/289310771.db2.gz PZGSTWRXFCXOFZ-QGZVFWFLSA-N 1 3 333.480 1.284 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN1C ZINC000418686298 297257948 /nfs/dbraw/zinc/25/79/48/297257948.db2.gz ORLUOBBSQGWZFT-LAVFITLUSA-N 1 3 330.476 1.866 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@@H](N)c1ccccc1 ZINC000262774926 298021429 /nfs/dbraw/zinc/02/14/29/298021429.db2.gz KRBZEJMGDQVJQB-YXJHDRRASA-N 1 3 346.475 1.169 20 0 EDADHO CCC[C@@H](O)[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811123 304688371 /nfs/dbraw/zinc/68/83/71/304688371.db2.gz HGBWMYIGRFVFKL-AZUAARDMSA-N 1 3 349.519 1.829 20 0 EDADHO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000419823584 304690887 /nfs/dbraw/zinc/69/08/87/304690887.db2.gz OURYXQYQKYHHGQ-HKUYNNGSSA-N 1 3 335.492 1.440 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420105875 304737979 /nfs/dbraw/zinc/73/79/79/304737979.db2.gz VHUSWWXZBKTSAX-OAHLLOKOSA-N 1 3 338.496 1.097 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000293682210 303002929 /nfs/dbraw/zinc/00/29/29/303002929.db2.gz NGNWELHRHFYWSJ-ZIAGYGMSSA-N 1 3 335.448 1.978 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293682210 303002931 /nfs/dbraw/zinc/00/29/31/303002931.db2.gz NGNWELHRHFYWSJ-ZIAGYGMSSA-N 1 3 335.448 1.978 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000294624379 303129804 /nfs/dbraw/zinc/12/98/04/303129804.db2.gz KWWTXEQHARJJGI-VQIMIIECSA-N 1 3 345.487 1.810 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000294624379 303129805 /nfs/dbraw/zinc/12/98/05/303129805.db2.gz KWWTXEQHARJJGI-VQIMIIECSA-N 1 3 345.487 1.810 20 0 EDADHO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153481 /nfs/dbraw/zinc/15/34/81/303153481.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@@H+]1CC[C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153483 /nfs/dbraw/zinc/15/34/83/303153483.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@H+]1CC[C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153484 /nfs/dbraw/zinc/15/34/84/303153484.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 1 3 331.504 1.726 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)n1 ZINC000377743053 447332417 /nfs/dbraw/zinc/33/24/17/447332417.db2.gz LHEHCHVZVLBLHZ-INIZCTEOSA-N 1 3 325.432 1.596 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(CNC)c2)CC1 ZINC000414875486 447338985 /nfs/dbraw/zinc/33/89/85/447338985.db2.gz BVZFOAIUYUWJAE-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423427304 304895828 /nfs/dbraw/zinc/89/58/28/304895828.db2.gz IPFHBZMVASJTGK-HOTGVXAUSA-N 1 3 337.508 1.853 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423755364 304908739 /nfs/dbraw/zinc/90/87/39/304908739.db2.gz HPXZOMVZSKQGJD-HOTGVXAUSA-N 1 3 339.480 1.285 20 0 EDADHO COCC[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842588 305065728 /nfs/dbraw/zinc/06/57/28/305065728.db2.gz USUXCHLLTZCIGO-MJGOQNOKSA-N 1 3 331.460 1.393 20 0 EDADHO Cc1c(C(=O)N2CC[C@H](N3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000430891510 305067063 /nfs/dbraw/zinc/06/70/63/305067063.db2.gz USCBSBUJPNUPMS-INIZCTEOSA-N 1 3 346.479 1.211 20 0 EDADHO CCNC(=O)COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000435373505 305139373 /nfs/dbraw/zinc/13/93/73/305139373.db2.gz DUNJBKNWPRXLBT-AWEZNQCLSA-N 1 3 349.475 1.769 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440981252 305215646 /nfs/dbraw/zinc/21/56/46/305215646.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440981252 305215647 /nfs/dbraw/zinc/21/56/47/305215647.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443067442 305234367 /nfs/dbraw/zinc/23/43/67/305234367.db2.gz GQRQCBYRZOSFSW-OLZOCXBDSA-N 1 3 336.411 1.923 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000448142119 305292744 /nfs/dbraw/zinc/29/27/44/305292744.db2.gz JRCDJMXVABGFTI-MRXNPFEDSA-N 1 3 340.512 1.110 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449116956 305307131 /nfs/dbraw/zinc/30/71/31/305307131.db2.gz RYKZFKZNJPBNCP-BZUAXINKSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000449331499 305311614 /nfs/dbraw/zinc/31/16/14/305311614.db2.gz ZFRHOYAISKLMHK-NCOADZHNSA-N 1 3 325.497 1.900 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449527436 305312944 /nfs/dbraw/zinc/31/29/44/305312944.db2.gz IIAKVSJOBDLEGN-FPOVZHCZSA-N 1 3 335.451 1.921 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493089096 305613975 /nfs/dbraw/zinc/61/39/75/305613975.db2.gz IPDPRDCVQJAKOJ-SPFKKIOUSA-N 1 3 331.460 1.548 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148188 306091674 /nfs/dbraw/zinc/09/16/74/306091674.db2.gz URYNXXMXSQEZHL-RBUKOAKNSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@@H+]1C ZINC000548102794 306119950 /nfs/dbraw/zinc/11/99/50/306119950.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@H+]1C ZINC000548102794 306119951 /nfs/dbraw/zinc/11/99/51/306119951.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)no3)CC2)CC1 ZINC000553051901 306182148 /nfs/dbraw/zinc/18/21/48/306182148.db2.gz DOBJRGXCFSPPJP-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)C[C@@H](C)O)CC2)CC1 ZINC000553497642 306185767 /nfs/dbraw/zinc/18/57/67/306185767.db2.gz FSEULPCNCWVMKL-JKSUJKDBSA-N 1 3 339.524 1.706 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000557151036 306225091 /nfs/dbraw/zinc/22/50/91/306225091.db2.gz CEKFYJLMNOKQNB-KRWDZBQOSA-N 1 3 348.491 1.550 20 0 EDADHO CC1(C)CC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000419728604 447377239 /nfs/dbraw/zinc/37/72/39/447377239.db2.gz YLJZQYUHIGASRQ-OAHLLOKOSA-N 1 3 346.475 1.228 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415422129 447420741 /nfs/dbraw/zinc/42/07/41/447420741.db2.gz WBICLLMXHAQHTI-AWEZNQCLSA-N 1 3 332.448 1.417 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)ccc1CN(C)C ZINC000415430457 447431921 /nfs/dbraw/zinc/43/19/21/447431921.db2.gz RHORBIBMYSXKHX-INIZCTEOSA-N 1 3 334.464 1.485 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000458637594 447434555 /nfs/dbraw/zinc/43/45/55/447434555.db2.gz GAFSOEYPZSWNRZ-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000458637594 447434563 /nfs/dbraw/zinc/43/45/63/447434563.db2.gz GAFSOEYPZSWNRZ-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000458637594 447434566 /nfs/dbraw/zinc/43/45/66/447434566.db2.gz GAFSOEYPZSWNRZ-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CC[N@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000102004157 441164243 /nfs/dbraw/zinc/16/42/43/441164243.db2.gz UJUGDGSJQAPUBR-UHFFFAOYSA-N 1 3 333.480 1.339 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000102004157 441164248 /nfs/dbraw/zinc/16/42/48/441164248.db2.gz UJUGDGSJQAPUBR-UHFFFAOYSA-N 1 3 333.480 1.339 20 0 EDADHO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)[C@H]1CCCN1 ZINC000073342189 441310828 /nfs/dbraw/zinc/31/08/28/441310828.db2.gz QGKZSGCDXWLJIV-OAHLLOKOSA-N 1 3 329.448 1.491 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107835323 441432080 /nfs/dbraw/zinc/43/20/80/441432080.db2.gz BHHASEOASZGLBU-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085361765 441433837 /nfs/dbraw/zinc/43/38/37/441433837.db2.gz ZWVARZLUVNXROE-CABCVRRESA-N 1 3 328.501 1.373 20 0 EDADHO O=C1CNC(=O)N1CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066421525 441530003 /nfs/dbraw/zinc/53/00/03/441530003.db2.gz ATNLNMHIJJMZCV-UHFFFAOYSA-N 1 3 336.480 1.516 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042056645 441700471 /nfs/dbraw/zinc/70/04/71/441700471.db2.gz NLRHMBCLODPSAD-DLBZAZTESA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042056645 441700477 /nfs/dbraw/zinc/70/04/77/441700477.db2.gz NLRHMBCLODPSAD-DLBZAZTESA-N 1 3 344.459 1.430 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000137193517 441755256 /nfs/dbraw/zinc/75/52/56/441755256.db2.gz JTZSYPHLVDJIQV-OAHLLOKOSA-N 1 3 337.533 1.854 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(F)n3)CC2)CC1 ZINC000122734706 441861286 /nfs/dbraw/zinc/86/12/86/441861286.db2.gz PDRIBUKWMCRXFY-UHFFFAOYSA-N 1 3 335.427 1.901 20 0 EDADHO CCC(CC)[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[NH+](C)C ZINC000173924532 441864241 /nfs/dbraw/zinc/86/42/41/441864241.db2.gz BXBRUDPAGKHION-HNNXBMFYSA-N 1 3 338.500 1.933 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000079460614 442049944 /nfs/dbraw/zinc/04/99/44/442049944.db2.gz YYZHSQGXAGGCTE-HNNXBMFYSA-N 1 3 329.448 1.398 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000079460614 442049949 /nfs/dbraw/zinc/04/99/49/442049949.db2.gz YYZHSQGXAGGCTE-HNNXBMFYSA-N 1 3 329.448 1.398 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176085533 442172773 /nfs/dbraw/zinc/17/27/73/442172773.db2.gz DPPQWEFRWKNCMO-HNNXBMFYSA-N 1 3 348.491 1.842 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176085533 442172777 /nfs/dbraw/zinc/17/27/77/442172777.db2.gz DPPQWEFRWKNCMO-HNNXBMFYSA-N 1 3 348.491 1.842 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152384039 442205690 /nfs/dbraw/zinc/20/56/90/442205690.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 1 3 347.503 1.983 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152384039 442205693 /nfs/dbraw/zinc/20/56/93/442205693.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 1 3 347.503 1.983 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128084088 442243418 /nfs/dbraw/zinc/24/34/18/442243418.db2.gz CMHPFSJESFSQOO-ZBFHGGJFSA-N 1 3 347.459 1.696 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000170917098 442288150 /nfs/dbraw/zinc/28/81/50/442288150.db2.gz GXKLOYBGUBESIJ-UHFFFAOYSA-N 1 3 339.505 1.509 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(CCCS(N)(=O)=O)CC1 ZINC000170917098 442288153 /nfs/dbraw/zinc/28/81/53/442288153.db2.gz GXKLOYBGUBESIJ-UHFFFAOYSA-N 1 3 339.505 1.509 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129562678 442323105 /nfs/dbraw/zinc/32/31/05/442323105.db2.gz PRFCKQKUESMOGB-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000171200986 442326880 /nfs/dbraw/zinc/32/68/80/442326880.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000171200986 442326883 /nfs/dbraw/zinc/32/68/83/442326883.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155166897 442379396 /nfs/dbraw/zinc/37/93/96/442379396.db2.gz BNCOVOOYKIWLPJ-XLIONFOSSA-N 1 3 347.503 1.827 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155166897 442379399 /nfs/dbraw/zinc/37/93/99/442379399.db2.gz BNCOVOOYKIWLPJ-XLIONFOSSA-N 1 3 347.503 1.827 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000133388096 442415933 /nfs/dbraw/zinc/41/59/33/442415933.db2.gz ILVSDZLMIONDEJ-QGZVFWFLSA-N 1 3 333.501 1.994 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000178873917 442510146 /nfs/dbraw/zinc/51/01/46/442510146.db2.gz YGGVNJRPJKNJRQ-SFHVURJKSA-N 1 3 332.492 1.424 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873511 442509923 /nfs/dbraw/zinc/50/99/23/442509923.db2.gz SVTJVERRSYTOQT-KRWDZBQOSA-N 1 3 330.476 1.762 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000186730022 442602102 /nfs/dbraw/zinc/60/21/02/442602102.db2.gz MYFFEEKKDBKIBS-CRAIPNDOSA-N 1 3 325.497 1.757 20 0 EDADHO CCCNC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192727968 442680753 /nfs/dbraw/zinc/68/07/53/442680753.db2.gz CNBRHVDACOYSJQ-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CCCNC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192727968 442680754 /nfs/dbraw/zinc/68/07/54/442680754.db2.gz CNBRHVDACOYSJQ-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccsc1 ZINC000187907594 442697184 /nfs/dbraw/zinc/69/71/84/442697184.db2.gz MFCXLLFQJDQHAJ-ZNMIVQPWSA-N 1 3 325.478 1.624 20 0 EDADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000187963342 442700434 /nfs/dbraw/zinc/70/04/34/442700434.db2.gz GBJZEBGJDNSOEU-JKSUJKDBSA-N 1 3 330.432 1.518 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000193548116 442752619 /nfs/dbraw/zinc/75/26/19/442752619.db2.gz GABDTIWERJCHAB-MJGOQNOKSA-N 1 3 344.503 1.764 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182410399 442764977 /nfs/dbraw/zinc/76/49/77/442764977.db2.gz QKHLWQRTRVZRPT-SJORKVTESA-N 1 3 345.553 1.350 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC[NH+](C)C)CC2)c1 ZINC000267875641 442775199 /nfs/dbraw/zinc/77/51/99/442775199.db2.gz MHDUXUDZASHQRW-UHFFFAOYSA-N 1 3 332.492 1.527 20 0 EDADHO C(N1CC[C@@]2(CCOC2)C1)C1(C[N@@H+]2CC[C@@]3(CCOC3)C2)COC1 ZINC000248417820 442890031 /nfs/dbraw/zinc/89/00/31/442890031.db2.gz JVOXMVFMBUMKRA-QZTJIDSGSA-N 1 3 336.476 1.228 20 0 EDADHO C(N1CC[C@@]2(CCOC2)C1)C1(C[N@H+]2CC[C@@]3(CCOC3)C2)COC1 ZINC000248417820 442890033 /nfs/dbraw/zinc/89/00/33/442890033.db2.gz JVOXMVFMBUMKRA-QZTJIDSGSA-N 1 3 336.476 1.228 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000194939196 442970282 /nfs/dbraw/zinc/97/02/82/442970282.db2.gz JVFLIQRELSGXLB-IUODEOHRSA-N 1 3 329.366 1.904 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195138608 442988340 /nfs/dbraw/zinc/98/83/40/442988340.db2.gz QYKOGQKMRYXEQQ-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000195138608 442988344 /nfs/dbraw/zinc/98/83/44/442988344.db2.gz QYKOGQKMRYXEQQ-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000195137230 442988480 /nfs/dbraw/zinc/98/84/80/442988480.db2.gz KAYIFCUCSOTXLH-SFHVURJKSA-N 1 3 348.491 1.699 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000295170160 318634612 /nfs/dbraw/zinc/63/46/12/318634612.db2.gz LIVLYFKFXVXELF-LBPRGKRZSA-N 1 3 334.420 1.483 20 0 EDADHO COCCCN(C)CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000266157636 443038836 /nfs/dbraw/zinc/03/88/36/443038836.db2.gz VRYIQWWNYILKEP-UHFFFAOYSA-N 1 3 336.480 1.516 20 0 EDADHO C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268751609 443096720 /nfs/dbraw/zinc/09/67/20/443096720.db2.gz JXGUOJQREXBDAY-GJZGRUSLSA-N 1 3 340.489 1.712 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000184962840 443107475 /nfs/dbraw/zinc/10/74/75/443107475.db2.gz MMJBRDLWLHZFJL-MSOLQXFVSA-N 1 3 332.492 1.432 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)C1 ZINC000269225661 443239562 /nfs/dbraw/zinc/23/95/62/443239562.db2.gz DCSRDOHPWVSMLC-APWZRJJASA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)C1 ZINC000269225661 443239566 /nfs/dbraw/zinc/23/95/66/443239566.db2.gz DCSRDOHPWVSMLC-APWZRJJASA-N 1 3 345.487 1.913 20 0 EDADHO CC(C)[C@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269264445 443256624 /nfs/dbraw/zinc/25/66/24/443256624.db2.gz OKEUMDYVCANPBU-KRWDZBQOSA-N 1 3 337.439 1.768 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413859952 319294877 /nfs/dbraw/zinc/29/48/77/319294877.db2.gz NSKXOZLOSNPVLH-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413859952 319294879 /nfs/dbraw/zinc/29/48/79/319294879.db2.gz NSKXOZLOSNPVLH-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676411 319340103 /nfs/dbraw/zinc/34/01/03/319340103.db2.gz HRRCPPHMUFFDAF-QGZVFWFLSA-N 1 3 344.503 1.916 20 0 EDADHO C[N@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676411 319340104 /nfs/dbraw/zinc/34/01/04/319340104.db2.gz HRRCPPHMUFFDAF-QGZVFWFLSA-N 1 3 344.503 1.916 20 0 EDADHO COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414680626 319341113 /nfs/dbraw/zinc/34/11/13/319341113.db2.gz NGDMTPMCASRRQR-CQSZACIVSA-N 1 3 335.448 1.333 20 0 EDADHO COc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)c(OC)c1 ZINC000414680626 319341115 /nfs/dbraw/zinc/34/11/15/319341115.db2.gz NGDMTPMCASRRQR-CQSZACIVSA-N 1 3 335.448 1.333 20 0 EDADHO CN(CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989325 319387897 /nfs/dbraw/zinc/38/78/97/319387897.db2.gz AAHFYWKAZSZLKJ-CYBMUJFWSA-N 1 3 332.370 1.697 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]1CNCCO1 ZINC000269279701 443264311 /nfs/dbraw/zinc/26/43/11/443264311.db2.gz ZYYDXQQUAOIKDM-JFIYKMOQSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835447 443267104 /nfs/dbraw/zinc/26/71/04/443267104.db2.gz PBGQIIBMLQJIAA-HOTGVXAUSA-N 1 3 341.544 1.288 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)N2CCCC2)cc1 ZINC000416814116 319462763 /nfs/dbraw/zinc/46/27/63/319462763.db2.gz FONHGKUASBSPBA-ROUUACIJSA-N 1 3 346.475 1.869 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904334 319470288 /nfs/dbraw/zinc/47/02/88/319470288.db2.gz DMEVTEJROMNWNF-WBVHZDCISA-N 1 3 334.464 1.821 20 0 EDADHO CCC(CC)[C@H](CNC(=O)NC[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000416950211 319483533 /nfs/dbraw/zinc/48/35/33/319483533.db2.gz HVZRIMZJFSFIFH-HOTGVXAUSA-N 1 3 326.485 1.175 20 0 EDADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CC1 ZINC000191444270 443295600 /nfs/dbraw/zinc/29/56/00/443295600.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 1 3 338.492 1.887 20 0 EDADHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CC1 ZINC000191444270 443295603 /nfs/dbraw/zinc/29/56/03/443295603.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 1 3 338.492 1.887 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000272282530 443579233 /nfs/dbraw/zinc/57/92/33/443579233.db2.gz BVOQZKGQORUEEP-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO CC(C)[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431022399 319937062 /nfs/dbraw/zinc/93/70/62/319937062.db2.gz CXUBPMIXPKIULU-GOSISDBHSA-N 1 3 338.540 1.624 20 0 EDADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000441345410 320093394 /nfs/dbraw/zinc/09/33/94/320093394.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000441345410 320093397 /nfs/dbraw/zinc/09/33/97/320093397.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 1 3 336.524 1.536 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327938 /nfs/dbraw/zinc/32/79/38/320327938.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 1 3 328.460 1.606 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327939 /nfs/dbraw/zinc/32/79/39/320327939.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 1 3 328.460 1.606 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000457713804 320332988 /nfs/dbraw/zinc/33/29/88/320332988.db2.gz QZPOUQJDILNAQJ-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457719301 320333248 /nfs/dbraw/zinc/33/32/48/320333248.db2.gz ZBMFWGFTEYOYRR-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724558 320333562 /nfs/dbraw/zinc/33/35/62/320333562.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724558 320333563 /nfs/dbraw/zinc/33/35/63/320333563.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000458127147 320336556 /nfs/dbraw/zinc/33/65/56/320336556.db2.gz IBRYGBCMSCYFAK-KRWDZBQOSA-N 1 3 340.512 1.254 20 0 EDADHO CNC(=O)NC(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000299297846 444010260 /nfs/dbraw/zinc/01/02/60/444010260.db2.gz MRVPQAZCXUNQRO-HUUCEWRRSA-N 1 3 346.475 1.578 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285519747 444014490 /nfs/dbraw/zinc/01/44/90/444014490.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 1 3 346.471 1.899 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285519747 444014492 /nfs/dbraw/zinc/01/44/92/444014492.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 1 3 346.471 1.899 20 0 EDADHO COc1cc(CN(C)CCC[N@H+](C)CCN(C)C)cc2c1OCO2 ZINC000558423611 321012411 /nfs/dbraw/zinc/01/24/11/321012411.db2.gz PJARYCBXBICAEF-UHFFFAOYSA-N 1 3 337.464 1.739 20 0 EDADHO COc1cc(CN(C)CCC[N@@H+](C)CCN(C)C)cc2c1OCO2 ZINC000558423611 321012412 /nfs/dbraw/zinc/01/24/12/321012412.db2.gz PJARYCBXBICAEF-UHFFFAOYSA-N 1 3 337.464 1.739 20 0 EDADHO CN(C)[C@]1(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCSC1 ZINC000561055448 321032095 /nfs/dbraw/zinc/03/20/95/321032095.db2.gz FSRLTSXUZXVPJS-GUYCJALGSA-N 1 3 349.504 1.456 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000562986942 321084831 /nfs/dbraw/zinc/08/48/31/321084831.db2.gz DJGXQSQWZPWBHA-INMHGKMJSA-N 1 3 327.513 1.309 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000562986942 321084833 /nfs/dbraw/zinc/08/48/33/321084833.db2.gz DJGXQSQWZPWBHA-INMHGKMJSA-N 1 3 327.513 1.309 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C[C@H]2N)cn1 ZINC000563711574 321112827 /nfs/dbraw/zinc/11/28/27/321112827.db2.gz AMOSGGADYHQJII-GVDBMIGSSA-N 1 3 327.432 1.153 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000563972481 321118507 /nfs/dbraw/zinc/11/85/07/321118507.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 1 3 339.524 1.925 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000563972481 321118508 /nfs/dbraw/zinc/11/85/08/321118508.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 1 3 339.524 1.925 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000565411976 321185337 /nfs/dbraw/zinc/18/53/37/321185337.db2.gz WORFXXOKFHWGBR-KRWDZBQOSA-N 1 3 334.464 1.393 20 0 EDADHO CC1=CCN(CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000565470581 321187400 /nfs/dbraw/zinc/18/74/00/321187400.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 1 3 349.523 1.154 20 0 EDADHO CC1=CCN(CCNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000565470581 321187402 /nfs/dbraw/zinc/18/74/02/321187402.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 1 3 349.523 1.154 20 0 EDADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811513 321234214 /nfs/dbraw/zinc/23/42/14/321234214.db2.gz WMFPBOIAVJKBLV-GUYCJALGSA-N 1 3 337.489 1.643 20 0 EDADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811513 321234216 /nfs/dbraw/zinc/23/42/16/321234216.db2.gz WMFPBOIAVJKBLV-GUYCJALGSA-N 1 3 337.489 1.643 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567983115 321271182 /nfs/dbraw/zinc/27/11/82/321271182.db2.gz OZCHNQVBQXHFSC-FXAWDEMLSA-N 1 3 344.503 1.060 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H]3CO)CC2)CC1 ZINC000568205265 321280823 /nfs/dbraw/zinc/28/08/23/321280823.db2.gz IYWOGRHLFFQNEO-YJBOKZPZSA-N 1 3 337.508 1.412 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569452788 321325838 /nfs/dbraw/zinc/32/58/38/321325838.db2.gz MTSHXOBREJWHEA-INIZCTEOSA-N 1 3 344.459 1.431 20 0 EDADHO Cc1ccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000569455606 321326108 /nfs/dbraw/zinc/32/61/08/321326108.db2.gz ACYSDOULIVGJAJ-SFHVURJKSA-N 1 3 336.476 1.480 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000569519930 321328872 /nfs/dbraw/zinc/32/88/72/321328872.db2.gz IBSSEDCKGHNFOX-OAHLLOKOSA-N 1 3 334.464 1.297 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000569983784 321333398 /nfs/dbraw/zinc/33/33/98/321333398.db2.gz CRCSIISCKXEZAY-UHFFFAOYSA-N 1 3 347.459 1.193 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570800462 321357799 /nfs/dbraw/zinc/35/77/99/321357799.db2.gz PQUQBVKTXBJPLT-SQNIBIBYSA-N 1 3 331.460 1.301 20 0 EDADHO CNc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000285866604 444134233 /nfs/dbraw/zinc/13/42/33/444134233.db2.gz DRPUEZUQXHGEGV-UHFFFAOYSA-N 1 3 331.464 1.412 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574023976 321467449 /nfs/dbraw/zinc/46/74/49/321467449.db2.gz GOZTUQQSEBTIES-PKOBYXMFSA-N 1 3 328.460 1.659 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(-n2ccnc2)nc1 ZINC000289534159 444166771 /nfs/dbraw/zinc/16/67/71/444166771.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(-n2ccnc2)nc1 ZINC000289534159 444166774 /nfs/dbraw/zinc/16/67/74/444166774.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)CN1CCN(C)CC1 ZINC000302628150 444218322 /nfs/dbraw/zinc/21/83/22/444218322.db2.gz FWFXXKNWMMWCIP-KRWDZBQOSA-N 1 3 342.487 1.896 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738520 444196902 /nfs/dbraw/zinc/19/69/02/444196902.db2.gz GZAVFCLIULMSHU-GDBMZVCRSA-N 1 3 335.448 1.294 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738520 444196905 /nfs/dbraw/zinc/19/69/05/444196905.db2.gz GZAVFCLIULMSHU-GDBMZVCRSA-N 1 3 335.448 1.294 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1OCCN(C)C ZINC000290137271 444247436 /nfs/dbraw/zinc/24/74/36/444247436.db2.gz KJSZMJJPXPEWLD-SJLPKXTDSA-N 1 3 333.476 1.877 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344956 444236830 /nfs/dbraw/zinc/23/68/30/444236830.db2.gz ZPEOVZQYIPJQMX-IAGOWNOFSA-N 1 3 339.524 1.658 20 0 EDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1Cl ZINC000581131628 322140133 /nfs/dbraw/zinc/14/01/33/322140133.db2.gz NKODLFKNOFGHHL-HNNXBMFYSA-N 1 3 342.867 1.516 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000332937992 444603577 /nfs/dbraw/zinc/60/35/77/444603577.db2.gz DAQKWFBAMBEMOR-GJZGRUSLSA-N 1 3 326.485 1.004 20 0 EDADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc2cncn2c1 ZINC000333253245 444651557 /nfs/dbraw/zinc/65/15/57/444651557.db2.gz HEWWGBFMLAKWDV-UHFFFAOYSA-N 1 3 327.432 1.281 20 0 EDADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc2cncn2c1 ZINC000333253245 444651560 /nfs/dbraw/zinc/65/15/60/444651560.db2.gz HEWWGBFMLAKWDV-UHFFFAOYSA-N 1 3 327.432 1.281 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333358951 444660547 /nfs/dbraw/zinc/66/05/47/444660547.db2.gz CONWGXADUCGCLD-GVDBMIGSSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942914 444725171 /nfs/dbraw/zinc/72/51/71/444725171.db2.gz QKVZIBJTFRXNHM-LSDHHAIUSA-N 1 3 340.537 1.645 20 0 EDADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344028017 444737945 /nfs/dbraw/zinc/73/79/45/444737945.db2.gz LPRKJXATLRGDKC-QZTJIDSGSA-N 1 3 340.556 1.981 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344034532 444740901 /nfs/dbraw/zinc/74/09/01/444740901.db2.gz RQPABOMMURQQSA-CALCHBBNSA-N 1 3 326.529 1.591 20 0 EDADHO C[C@@H](O)C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341252463 444749250 /nfs/dbraw/zinc/74/92/50/444749250.db2.gz ZYPNCKUPFSUSIY-UONOGXRCSA-N 1 3 326.485 1.004 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344063322 444759695 /nfs/dbraw/zinc/75/96/95/444759695.db2.gz NKAWEBNFQKEGSY-FGTMMUONSA-N 1 3 340.556 1.885 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@@H+]1C ZINC000341367920 444798114 /nfs/dbraw/zinc/79/81/14/444798114.db2.gz GGNYPFFDNDGQHU-HOCLYGCPSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@H+]1C ZINC000341367920 444798117 /nfs/dbraw/zinc/79/81/17/444798117.db2.gz GGNYPFFDNDGQHU-HOCLYGCPSA-N 1 3 349.479 1.304 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342693712 444818648 /nfs/dbraw/zinc/81/86/48/444818648.db2.gz MSBOJHKRMGJOJK-KRWDZBQOSA-N 1 3 347.459 1.569 20 0 EDADHO Cc1nccn1CCN1[C@H](C)C[N@@H+](CCn2ccnc2C)C[C@@H]1C ZINC000337247844 445002787 /nfs/dbraw/zinc/00/27/87/445002787.db2.gz PETQLRBDPQFJHU-IYBDPMFKSA-N 1 3 330.480 1.791 20 0 EDADHO Cc1nccn1CCN1[C@H](C)C[N@H+](CCn2ccnc2C)C[C@@H]1C ZINC000337247844 445002789 /nfs/dbraw/zinc/00/27/89/445002789.db2.gz PETQLRBDPQFJHU-IYBDPMFKSA-N 1 3 330.480 1.791 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000339762698 445167320 /nfs/dbraw/zinc/16/73/20/445167320.db2.gz WJUCONIKPMEWQH-OALUTQOASA-N 1 3 339.524 1.312 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079112 445160638 /nfs/dbraw/zinc/16/06/38/445160638.db2.gz DUORMEWDDIXSDV-IXDOHACOSA-N 1 3 344.459 1.462 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228984 /nfs/dbraw/zinc/22/89/84/445228984.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228985 /nfs/dbraw/zinc/22/89/85/445228985.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)N1CCN(C)CC1 ZINC000348303528 445249097 /nfs/dbraw/zinc/24/90/97/445249097.db2.gz PPMWLIWTWKISSY-MSOLQXFVSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCN1C ZINC000343619078 445265999 /nfs/dbraw/zinc/26/59/99/445265999.db2.gz JQPKDBOCBXIIEF-QAPCUYQASA-N 1 3 348.491 1.909 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000352124949 445508631 /nfs/dbraw/zinc/50/86/31/445508631.db2.gz CAENSIZAEVNWLX-HXUWFJFHSA-N 1 3 347.503 1.718 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000352208095 445514070 /nfs/dbraw/zinc/51/40/70/445514070.db2.gz IVSHZNFRCDBOEU-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723992 445519379 /nfs/dbraw/zinc/51/93/79/445519379.db2.gz OWBOXOIMTMZULA-MAUKXSAKSA-N 1 3 333.476 1.483 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723992 445519382 /nfs/dbraw/zinc/51/93/82/445519382.db2.gz OWBOXOIMTMZULA-MAUKXSAKSA-N 1 3 333.476 1.483 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362796173 445553744 /nfs/dbraw/zinc/55/37/44/445553744.db2.gz SVDMSRYGCIDWMU-XHSDSOJGSA-N 1 3 333.480 1.800 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451944 445607802 /nfs/dbraw/zinc/60/78/02/445607802.db2.gz QBEUTYIVGDXSJZ-IEBWSBKVSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451944 445607805 /nfs/dbraw/zinc/60/78/05/445607805.db2.gz QBEUTYIVGDXSJZ-IEBWSBKVSA-N 1 3 331.460 1.475 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356229477 445687254 /nfs/dbraw/zinc/68/72/54/445687254.db2.gz RGKUMMKEWXDTPP-OAHLLOKOSA-N 1 3 333.480 1.725 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356229477 445687256 /nfs/dbraw/zinc/68/72/56/445687256.db2.gz RGKUMMKEWXDTPP-OAHLLOKOSA-N 1 3 333.480 1.725 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363083752 445671518 /nfs/dbraw/zinc/67/15/18/445671518.db2.gz AROYNZYEVYWFML-QZTJIDSGSA-N 1 3 346.475 1.411 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695230 445722856 /nfs/dbraw/zinc/72/28/56/445722856.db2.gz OFJVDZGTFUGCKX-HUUCEWRRSA-N 1 3 340.537 1.549 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363230946 445733212 /nfs/dbraw/zinc/73/32/12/445733212.db2.gz NNFFORBLRSKVOS-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO NC[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000358738566 445751614 /nfs/dbraw/zinc/75/16/14/445751614.db2.gz BKIWFRKFUOOIMU-KRWDZBQOSA-N 1 3 330.407 1.559 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000353931359 445816699 /nfs/dbraw/zinc/81/66/99/445816699.db2.gz YPWUSSDYTLPLOF-GDBMZVCRSA-N 1 3 328.526 1.597 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000353931359 445816702 /nfs/dbraw/zinc/81/67/02/445816702.db2.gz YPWUSSDYTLPLOF-GDBMZVCRSA-N 1 3 328.526 1.597 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359147703 445982221 /nfs/dbraw/zinc/98/22/21/445982221.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 1 3 345.487 1.395 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359147703 445982224 /nfs/dbraw/zinc/98/22/24/445982224.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 1 3 345.487 1.395 20 0 EDADHO CN(CCO[C@H]1CCCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373119429 446041119 /nfs/dbraw/zinc/04/11/19/446041119.db2.gz YQDRUCYJSGNWDF-MSOLQXFVSA-N 1 3 325.497 1.630 20 0 EDADHO CN(CCO[C@H]1CCCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373119429 446041121 /nfs/dbraw/zinc/04/11/21/446041121.db2.gz YQDRUCYJSGNWDF-MSOLQXFVSA-N 1 3 325.497 1.630 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000369221495 446003109 /nfs/dbraw/zinc/00/31/09/446003109.db2.gz XFBKZGOOUQHKPM-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000369221495 446003111 /nfs/dbraw/zinc/00/31/11/446003111.db2.gz XFBKZGOOUQHKPM-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO O[C@H](CCc1ccccc1)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000583258831 326035811 /nfs/dbraw/zinc/03/58/11/326035811.db2.gz UDWBGDSUYOJXMZ-HSALFYBXSA-N 1 3 332.488 1.948 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000359283187 446118647 /nfs/dbraw/zinc/11/86/47/446118647.db2.gz GYNHQNNBMMFCDS-AWEZNQCLSA-N 1 3 326.485 1.221 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCN(CCCOC)CC1 ZINC000369661123 446141450 /nfs/dbraw/zinc/14/14/50/446141450.db2.gz OWIRWSQIHJQXID-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369663082 446142629 /nfs/dbraw/zinc/14/26/29/446142629.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663082 446142637 /nfs/dbraw/zinc/14/26/37/446142637.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CN1C1CC1 ZINC000370323243 446230447 /nfs/dbraw/zinc/23/04/47/446230447.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CN1C1CC1 ZINC000370323243 446230451 /nfs/dbraw/zinc/23/04/51/446230451.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 1 3 349.523 1.033 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000417337462 446346315 /nfs/dbraw/zinc/34/63/15/446346315.db2.gz WQXHTPSEZLJJQF-QGZVFWFLSA-N 1 3 346.475 1.650 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)CN1 ZINC000417503085 446355720 /nfs/dbraw/zinc/35/57/20/446355720.db2.gz LLWXBEZEMLUKCR-ZHALLVOQSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)CN1 ZINC000417503085 446355726 /nfs/dbraw/zinc/35/57/26/446355726.db2.gz LLWXBEZEMLUKCR-ZHALLVOQSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417529687 446362398 /nfs/dbraw/zinc/36/23/98/446362398.db2.gz RDOUYRYQCQSVEX-WMLDXEAASA-N 1 3 334.464 1.301 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000370788034 446442898 /nfs/dbraw/zinc/44/28/98/446442898.db2.gz POVWBCQZXXUNAL-IAGOWNOFSA-N 1 3 348.516 1.505 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302619 446479831 /nfs/dbraw/zinc/47/98/31/446479831.db2.gz VWVBPJIEJULEIC-WBVHZDCISA-N 1 3 341.459 1.909 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000423323827 446487789 /nfs/dbraw/zinc/48/77/89/446487789.db2.gz OWZFSIXMQWUDIC-MRXNPFEDSA-N 1 3 341.459 1.868 20 0 EDADHO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423334022 446493288 /nfs/dbraw/zinc/49/32/88/446493288.db2.gz QGRNUTFDGAZOGW-RBSFLKMASA-N 1 3 333.480 1.727 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533265 446559066 /nfs/dbraw/zinc/55/90/66/446559066.db2.gz QCHKNOJWEVQKCA-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533265 446559070 /nfs/dbraw/zinc/55/90/70/446559070.db2.gz QCHKNOJWEVQKCA-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386861 446563433 /nfs/dbraw/zinc/56/34/33/446563433.db2.gz JFSIKSHYHILLCE-TWMKSMIVSA-N 1 3 335.492 1.476 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346157 446519992 /nfs/dbraw/zinc/51/99/92/446519992.db2.gz XNVYKLDJXSUWRS-LSDHHAIUSA-N 1 3 333.501 1.954 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418387226 446524919 /nfs/dbraw/zinc/52/49/19/446524919.db2.gz QWFBANVAHXCUMZ-KZNAEPCWSA-N 1 3 328.460 1.512 20 0 EDADHO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)CN ZINC000420349486 446526157 /nfs/dbraw/zinc/52/61/57/446526157.db2.gz DAEXIPGPAVLJTJ-GOSISDBHSA-N 1 3 341.455 1.534 20 0 EDADHO C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)CN ZINC000420349486 446526164 /nfs/dbraw/zinc/52/61/64/446526164.db2.gz DAEXIPGPAVLJTJ-GOSISDBHSA-N 1 3 341.455 1.534 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428236 446532231 /nfs/dbraw/zinc/53/22/31/446532231.db2.gz OENAXCHGGMSSSN-GJZGRUSLSA-N 1 3 333.480 1.871 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000418430980 446540886 /nfs/dbraw/zinc/54/08/86/446540886.db2.gz VRIBGBNSNHTYEN-QZTJIDSGSA-N 1 3 347.507 1.918 20 0 EDADHO C[C@H](Cc1cnccn1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118841 446544741 /nfs/dbraw/zinc/54/47/41/446544741.db2.gz JAEPNBVEAOTNNL-VQIMIIECSA-N 1 3 326.444 1.634 20 0 EDADHO C[C@H](Cc1cnccn1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118841 446544746 /nfs/dbraw/zinc/54/47/46/446544746.db2.gz JAEPNBVEAOTNNL-VQIMIIECSA-N 1 3 326.444 1.634 20 0 EDADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000367483928 446554300 /nfs/dbraw/zinc/55/43/00/446554300.db2.gz OWRGALQXIDEWHD-FVQBIDKESA-N 1 3 332.448 1.503 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433463736 446577082 /nfs/dbraw/zinc/57/70/82/446577082.db2.gz AHQWKBFNCCTFGF-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418561290 446595009 /nfs/dbraw/zinc/59/50/09/446595009.db2.gz YSHKZZBBEAJINL-MRXNPFEDSA-N 1 3 328.460 1.917 20 0 EDADHO C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000420476602 446648889 /nfs/dbraw/zinc/64/88/89/446648889.db2.gz IPAGQUYVNRTLSP-ZFWWWQNUSA-N 1 3 325.478 1.354 20 0 EDADHO CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423710046 446652571 /nfs/dbraw/zinc/65/25/71/446652571.db2.gz JVAHDQFPEJSZLQ-QZTJIDSGSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000423730333 446665239 /nfs/dbraw/zinc/66/52/39/446665239.db2.gz PNXLDQDYYVTSCT-FZKCQIBNSA-N 1 3 325.522 1.945 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000423730333 446665245 /nfs/dbraw/zinc/66/52/45/446665245.db2.gz PNXLDQDYYVTSCT-FZKCQIBNSA-N 1 3 325.522 1.945 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732030 446666838 /nfs/dbraw/zinc/66/68/38/446666838.db2.gz SESMYCJRGSJGIO-XGUBFFRZSA-N 1 3 325.453 1.131 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732030 446666841 /nfs/dbraw/zinc/66/68/41/446666841.db2.gz SESMYCJRGSJGIO-XGUBFFRZSA-N 1 3 325.453 1.131 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375257252 446675188 /nfs/dbraw/zinc/67/51/88/446675188.db2.gz XOQOOUGXGQNPOJ-AZUAARDMSA-N 1 3 343.471 1.829 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418643427 446627518 /nfs/dbraw/zinc/62/75/18/446627518.db2.gz UODLPUOYCPCLSY-QAPCUYQASA-N 1 3 330.476 1.857 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418643427 446627523 /nfs/dbraw/zinc/62/75/23/446627523.db2.gz UODLPUOYCPCLSY-QAPCUYQASA-N 1 3 330.476 1.857 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423756321 446685995 /nfs/dbraw/zinc/68/59/95/446685995.db2.gz JLTSUDVGOSGGNY-QGZVFWFLSA-N 1 3 347.459 1.120 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000418795681 446706968 /nfs/dbraw/zinc/70/69/68/446706968.db2.gz SIDZRRIJOKODIQ-ZHALLVOQSA-N 1 3 346.475 1.050 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cncc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420632772 446712831 /nfs/dbraw/zinc/71/28/31/446712831.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cncc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420632772 446712834 /nfs/dbraw/zinc/71/28/34/446712834.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)c1cncc(N(C)C[C@@H]2CCCN2C)n1 ZINC000420632772 446712836 /nfs/dbraw/zinc/71/28/36/446712836.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)c1cncc(N(C)C[C@@H]2CCCN2C)n1 ZINC000420632772 446712838 /nfs/dbraw/zinc/71/28/38/446712838.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 1 3 332.496 1.537 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000368160828 446678290 /nfs/dbraw/zinc/67/82/90/446678290.db2.gz HSSIRGVGVXNCEF-FUHWJXTLSA-N 1 3 328.460 1.262 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894974 446749286 /nfs/dbraw/zinc/74/92/86/446749286.db2.gz FFANANOXGZCZIA-BHIYHBOVSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894974 446749294 /nfs/dbraw/zinc/74/92/94/446749294.db2.gz FFANANOXGZCZIA-BHIYHBOVSA-N 1 3 345.487 1.782 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418940168 446813428 /nfs/dbraw/zinc/81/34/28/446813428.db2.gz GNOXUTGOMJNSAI-WBVHZDCISA-N 1 3 348.491 1.113 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4COC[C@@H]4C3)CC2)CC1 ZINC000620132005 450436761 /nfs/dbraw/zinc/43/67/61/450436761.db2.gz FGBQURIGOYVKST-ROUUACIJSA-N 1 3 349.519 1.678 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188273 446890575 /nfs/dbraw/zinc/89/05/75/446890575.db2.gz VWXIXFKBIAEELD-COXVUDFISA-N 1 3 337.533 1.803 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977496 446949411 /nfs/dbraw/zinc/94/94/11/446949411.db2.gz IGTMAXSKILAFIK-LJQANCHMSA-N 1 3 344.503 1.705 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977496 446949415 /nfs/dbraw/zinc/94/94/15/446949415.db2.gz IGTMAXSKILAFIK-LJQANCHMSA-N 1 3 344.503 1.705 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598674 446971763 /nfs/dbraw/zinc/97/17/63/446971763.db2.gz RAHKPROEQHIWNC-IHEQNBGGSA-N 1 3 349.519 1.772 20 0 EDADHO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@]1(F)CCNC1 ZINC000372116256 447010828 /nfs/dbraw/zinc/01/08/28/447010828.db2.gz NTSKXXHSWAXDOT-PXAZEXFGSA-N 1 3 335.379 1.236 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158545 446974641 /nfs/dbraw/zinc/97/46/41/446974641.db2.gz WMASRCKTLGCLRI-HOTGVXAUSA-N 1 3 340.512 1.104 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158545 446974646 /nfs/dbraw/zinc/97/46/46/446974646.db2.gz WMASRCKTLGCLRI-HOTGVXAUSA-N 1 3 340.512 1.104 20 0 EDADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@]1(F)CCNC1 ZINC000372103316 447002929 /nfs/dbraw/zinc/00/29/29/447002929.db2.gz SXEXVAZWPLKGQF-ZDUSSCGKSA-N 1 3 327.366 1.811 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000455236207 447093134 /nfs/dbraw/zinc/09/31/34/447093134.db2.gz XYTMVIUVKBNNHQ-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142450 /nfs/dbraw/zinc/14/24/50/447142450.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 1 3 349.523 1.729 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142457 /nfs/dbraw/zinc/14/24/57/447142457.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 1 3 349.523 1.729 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)nn(C)c3OC)CC2)CC1 ZINC000421367536 447142464 /nfs/dbraw/zinc/14/24/64/447142464.db2.gz FEMPLIHMNUEDQR-UHFFFAOYSA-N 1 3 349.523 1.729 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CC[C@H](NC(C)=O)C2)CC1 ZINC000421383217 447145292 /nfs/dbraw/zinc/14/52/92/447145292.db2.gz CLHDKIFZZWSCMF-SFHVURJKSA-N 1 3 330.476 1.539 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000421383217 447145294 /nfs/dbraw/zinc/14/52/94/447145294.db2.gz CLHDKIFZZWSCMF-SFHVURJKSA-N 1 3 330.476 1.539 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000421383217 447145299 /nfs/dbraw/zinc/14/52/99/447145299.db2.gz CLHDKIFZZWSCMF-SFHVURJKSA-N 1 3 330.476 1.539 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000455654149 447197780 /nfs/dbraw/zinc/19/77/80/447197780.db2.gz DCLWAWSBTYJSKR-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO C[C@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455670021 447205623 /nfs/dbraw/zinc/20/56/23/447205623.db2.gz OXIGBZHYPUPBTB-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455670021 447205635 /nfs/dbraw/zinc/20/56/35/447205635.db2.gz OXIGBZHYPUPBTB-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO CN1CCC(O)(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455899113 447253111 /nfs/dbraw/zinc/25/31/11/447253111.db2.gz FQTJTNNWOKOWJL-QGZVFWFLSA-N 1 3 346.475 1.814 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000376046463 447233448 /nfs/dbraw/zinc/23/34/48/447233448.db2.gz ZKLWXODZKVRLCH-NJAFHUGGSA-N 1 3 333.476 1.719 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](OC)C1CC1 ZINC000458845692 447489141 /nfs/dbraw/zinc/48/91/41/447489141.db2.gz DJFQLHPIPSCDPP-IAGOWNOFSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](OC)C1CC1 ZINC000458845692 447489145 /nfs/dbraw/zinc/48/91/45/447489145.db2.gz DJFQLHPIPSCDPP-IAGOWNOFSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904124 447489390 /nfs/dbraw/zinc/48/93/90/447489390.db2.gz FYRJPYIIOPAUMX-HIFRSBDPSA-N 1 3 344.484 1.895 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419930125 447496602 /nfs/dbraw/zinc/49/66/02/447496602.db2.gz NRFLXFGGMMUOTA-IRXDYDNUSA-N 1 3 346.475 1.135 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419930125 447496611 /nfs/dbraw/zinc/49/66/11/447496611.db2.gz NRFLXFGGMMUOTA-IRXDYDNUSA-N 1 3 346.475 1.135 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656285 447496706 /nfs/dbraw/zinc/49/67/06/447496706.db2.gz WMFCUKWGFMRDLC-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656285 447496710 /nfs/dbraw/zinc/49/67/10/447496710.db2.gz WMFCUKWGFMRDLC-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457857540 447651705 /nfs/dbraw/zinc/65/17/05/447651705.db2.gz MSENPPQAUZGHEK-KRWDZBQOSA-N 1 3 338.496 1.007 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595454 /nfs/dbraw/zinc/59/54/54/447595454.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 1 3 347.503 1.274 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595459 /nfs/dbraw/zinc/59/54/59/447595459.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 1 3 347.503 1.274 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000416825418 447691945 /nfs/dbraw/zinc/69/19/45/447691945.db2.gz AXPUFJYDVWVSOZ-PKOBYXMFSA-N 1 3 332.492 1.848 20 0 EDADHO C[NH+](C)CC1(CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)CCCC1 ZINC000496065843 447703479 /nfs/dbraw/zinc/70/34/79/447703479.db2.gz YDJVIRGHVJNFJA-QGZVFWFLSA-N 1 3 343.512 1.974 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458156971 447730576 /nfs/dbraw/zinc/73/05/76/447730576.db2.gz HSKDNNKPCNYDJW-QGZVFWFLSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H](NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422838939 447765463 /nfs/dbraw/zinc/76/54/63/447765463.db2.gz YUALRZPEYIRCQX-QUCCMNQESA-N 1 3 330.520 1.782 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000422820896 447759286 /nfs/dbraw/zinc/75/92/86/447759286.db2.gz SVDZHFOVRGXAQG-YJBOKZPZSA-N 1 3 330.476 1.807 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458337851 447772277 /nfs/dbraw/zinc/77/22/77/447772277.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458337851 447772280 /nfs/dbraw/zinc/77/22/80/447772280.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422935417 447775630 /nfs/dbraw/zinc/77/56/30/447775630.db2.gz AJPIZJVNGMMXAL-OLZOCXBDSA-N 1 3 327.469 1.201 20 0 EDADHO CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@H]1CCCCN1 ZINC000422956226 447780083 /nfs/dbraw/zinc/78/00/83/447780083.db2.gz OTEGLHVVPKDKGI-ZWKOTPCHSA-N 1 3 336.524 1.441 20 0 EDADHO CC[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422963538 447782294 /nfs/dbraw/zinc/78/22/94/447782294.db2.gz GFNORDDHXXBFIC-AABGKKOBSA-N 1 3 331.504 1.916 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCC(C)CC2)nc1 ZINC000576030252 447955026 /nfs/dbraw/zinc/95/50/26/447955026.db2.gz SGGOIPLTPVPKJR-MRXNPFEDSA-N 1 3 334.464 1.401 20 0 EDADHO C[N@@H+]1CC[C@H](NCCc2nnnn2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552055506 447931592 /nfs/dbraw/zinc/93/15/92/447931592.db2.gz QVIJGUUPLOWVTO-IXDOHACOSA-N 1 3 326.448 1.667 20 0 EDADHO C[N@H+]1CC[C@H](NCCc2nnnn2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552055506 447931597 /nfs/dbraw/zinc/93/15/97/447931597.db2.gz QVIJGUUPLOWVTO-IXDOHACOSA-N 1 3 326.448 1.667 20 0 EDADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815009 447963566 /nfs/dbraw/zinc/96/35/66/447963566.db2.gz GMZPEGXIUYAWNO-ICSRJNTNSA-N 1 3 343.471 1.320 20 0 EDADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815009 447963572 /nfs/dbraw/zinc/96/35/72/447963572.db2.gz GMZPEGXIUYAWNO-ICSRJNTNSA-N 1 3 343.471 1.320 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531050775 448009274 /nfs/dbraw/zinc/00/92/74/448009274.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531050775 448009279 /nfs/dbraw/zinc/00/92/79/448009279.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 1 3 345.487 1.614 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721749 448054630 /nfs/dbraw/zinc/05/46/30/448054630.db2.gz CGDVIKPVXPEBDG-IJEWVQPXSA-N 1 3 337.439 1.456 20 0 EDADHO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Cc1ccc(OC)c(F)c1 ZINC000570721749 448054634 /nfs/dbraw/zinc/05/46/34/448054634.db2.gz CGDVIKPVXPEBDG-IJEWVQPXSA-N 1 3 337.439 1.456 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000509342505 448149833 /nfs/dbraw/zinc/14/98/33/448149833.db2.gz HSBSWVFLHXHRQR-KURKYZTESA-N 1 3 349.475 1.319 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210071 448216654 /nfs/dbraw/zinc/21/66/54/448216654.db2.gz OCKFBOLZWJZHMY-JTDSTZFVSA-N 1 3 345.487 1.977 20 0 EDADHO CCN(C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497296 448322396 /nfs/dbraw/zinc/32/23/96/448322396.db2.gz WEAJYZLZJLWFRO-ZWKOTPCHSA-N 1 3 336.476 1.419 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132763 448297878 /nfs/dbraw/zinc/29/78/78/448297878.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132763 448297887 /nfs/dbraw/zinc/29/78/87/448297887.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000572719280 448447411 /nfs/dbraw/zinc/44/74/11/448447411.db2.gz SBXSAULIZFEXDW-CRAIPNDOSA-N 1 3 330.476 1.986 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000572719280 448447417 /nfs/dbraw/zinc/44/74/17/448447417.db2.gz SBXSAULIZFEXDW-CRAIPNDOSA-N 1 3 330.476 1.986 20 0 EDADHO Cc1cc(N2CC[C@H](N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376085 448578123 /nfs/dbraw/zinc/57/81/23/448578123.db2.gz HIVYKGPSBAXNFS-XHSDSOJGSA-N 1 3 331.464 1.155 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495980 448587228 /nfs/dbraw/zinc/58/72/28/448587228.db2.gz XTBNLZWXVPNEPM-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495980 448587234 /nfs/dbraw/zinc/58/72/34/448587234.db2.gz XTBNLZWXVPNEPM-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@@]1(C)C[NH3+] ZINC000584838407 448650730 /nfs/dbraw/zinc/65/07/30/448650730.db2.gz NUODLZAHORRFMK-HHXXYDBFSA-N 1 3 330.476 1.737 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548982 448654363 /nfs/dbraw/zinc/65/43/63/448654363.db2.gz PTRXFYRDBPFHCC-YQVWRLOYSA-N 1 3 346.475 1.500 20 0 EDADHO [NH3+][C@H](CC(=O)Nc1ccc(N2CCNCC2)cn1)Cc1ccccc1 ZINC000573548162 448654919 /nfs/dbraw/zinc/65/49/19/448654919.db2.gz FPLIXKDQQGGYMX-INIZCTEOSA-N 1 3 339.443 1.390 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000573675981 448686996 /nfs/dbraw/zinc/68/69/96/448686996.db2.gz FSCAFJZGSZHSCR-FQEVSTJZSA-N 1 3 349.519 1.700 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688506 448690250 /nfs/dbraw/zinc/69/02/50/448690250.db2.gz TVPTVUACHQYRLL-JTDSTZFVSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)cn1 ZINC000579085567 448708417 /nfs/dbraw/zinc/70/84/17/448708417.db2.gz XNJCTOHCXQZEPG-UHFFFAOYSA-N 1 3 345.394 1.640 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000567566295 448714366 /nfs/dbraw/zinc/71/43/66/448714366.db2.gz PVIYTOKAFSUKGH-HNNXBMFYSA-N 1 3 348.495 2.003 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000567566295 448714371 /nfs/dbraw/zinc/71/43/71/448714371.db2.gz PVIYTOKAFSUKGH-HNNXBMFYSA-N 1 3 348.495 2.003 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592258 448719298 /nfs/dbraw/zinc/71/92/98/448719298.db2.gz UCPAGDTZSLLMNF-OKZBNKHCSA-N 1 3 349.475 1.189 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000567611829 448724071 /nfs/dbraw/zinc/72/40/71/448724071.db2.gz OJXQZEJSWHWRPG-GOSISDBHSA-N 1 3 347.459 1.900 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000519407576 448767483 /nfs/dbraw/zinc/76/74/83/448767483.db2.gz PSRNDMJLGJFNIG-IRXDYDNUSA-N 1 3 345.491 1.309 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000519271116 448755381 /nfs/dbraw/zinc/75/53/81/448755381.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 1 3 328.460 1.600 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000519271116 448755386 /nfs/dbraw/zinc/75/53/86/448755386.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 1 3 328.460 1.600 20 0 EDADHO CN1CC[C@](O)(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000579560068 448820389 /nfs/dbraw/zinc/82/03/89/448820389.db2.gz GMPLLTOXBRTIKJ-AEFFLSMTSA-N 1 3 332.448 1.424 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCO)CC3CC3)CC2)CC1 ZINC000568195629 448832920 /nfs/dbraw/zinc/83/29/20/448832920.db2.gz MNOLHZAHCKFRHK-UHFFFAOYSA-N 1 3 337.508 1.414 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558579 448900371 /nfs/dbraw/zinc/90/03/71/448900371.db2.gz BYODQBCVPQUGBA-HOCLYGCPSA-N 1 3 339.480 1.251 20 0 EDADHO CCO[C@@]1(C)C[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000529856712 448986604 /nfs/dbraw/zinc/98/66/04/448986604.db2.gz RYCPYZLVMLYMGM-MJGOQNOKSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000521314947 448970846 /nfs/dbraw/zinc/97/08/46/448970846.db2.gz AFELPLRZLULOCI-AEFFLSMTSA-N 1 3 339.524 1.993 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000574861117 448971525 /nfs/dbraw/zinc/97/15/25/448971525.db2.gz NJIXCBMRQSEQGE-DLBZAZTESA-N 1 3 334.464 1.275 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643755 449006193 /nfs/dbraw/zinc/00/61/93/449006193.db2.gz NNFMCPWCPSJTTC-QZTJIDSGSA-N 1 3 336.524 1.570 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000521986779 449036070 /nfs/dbraw/zinc/03/60/70/449036070.db2.gz WBYYONTXTJSYGL-PMPSAXMXSA-N 1 3 338.496 1.399 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181360 449032260 /nfs/dbraw/zinc/03/22/60/449032260.db2.gz STYAZYXFHYSSEZ-SFHVURJKSA-N 1 3 345.487 1.711 20 0 EDADHO C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N1CCC(C)CC1 ZINC000592958676 449081251 /nfs/dbraw/zinc/08/12/51/449081251.db2.gz ZWTVOIPCQUDDCC-GJZGRUSLSA-N 1 3 333.480 1.569 20 0 EDADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172899 449053421 /nfs/dbraw/zinc/05/34/21/449053421.db2.gz SNDNNAOHNMKUQP-ZSYWTGECSA-N 1 3 337.508 1.111 20 0 EDADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@@H]2CNCCO2)CC1 ZINC000575172899 449053425 /nfs/dbraw/zinc/05/34/25/449053425.db2.gz SNDNNAOHNMKUQP-ZSYWTGECSA-N 1 3 337.508 1.111 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000593737657 449171888 /nfs/dbraw/zinc/17/18/88/449171888.db2.gz SFONIYYUCJLISL-ZOBUZTSGSA-N 1 3 333.432 1.587 20 0 EDADHO CC(C)OC(=O)C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583260 449583049 /nfs/dbraw/zinc/58/30/49/449583049.db2.gz GFJAIZZGARNKQN-CABCVRRESA-N 1 3 327.469 1.140 20 0 EDADHO CN(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)C1CCC1 ZINC000600816069 449560730 /nfs/dbraw/zinc/56/07/30/449560730.db2.gz BVAICDADRIHWHH-UHFFFAOYSA-N 1 3 327.469 1.203 20 0 EDADHO Cc1noc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc12 ZINC000617504500 449649355 /nfs/dbraw/zinc/64/93/55/449649355.db2.gz YOCZNPIKOFGSLJ-LBPRGKRZSA-N 1 3 333.436 1.533 20 0 EDADHO Cc1noc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc12 ZINC000617504500 449649359 /nfs/dbraw/zinc/64/93/59/449649359.db2.gz YOCZNPIKOFGSLJ-LBPRGKRZSA-N 1 3 333.436 1.533 20 0 EDADHO CCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617554886 449685272 /nfs/dbraw/zinc/68/52/72/449685272.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO COc1ccc(F)cc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507368 449659002 /nfs/dbraw/zinc/65/90/02/449659002.db2.gz UCYAKIQTKPKPEM-AWEZNQCLSA-N 1 3 339.455 1.765 20 0 EDADHO COc1ccc(F)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507368 449659010 /nfs/dbraw/zinc/65/90/10/449659010.db2.gz UCYAKIQTKPKPEM-AWEZNQCLSA-N 1 3 339.455 1.765 20 0 EDADHO CCN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554886 449685277 /nfs/dbraw/zinc/68/52/77/449685277.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO Cc1csc([C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617507690 449659637 /nfs/dbraw/zinc/65/96/37/449659637.db2.gz GALIFWJMHQRQMV-GXTWGEPZSA-N 1 3 326.510 1.943 20 0 EDADHO Cc1csc([C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617507690 449659643 /nfs/dbraw/zinc/65/96/43/449659643.db2.gz GALIFWJMHQRQMV-GXTWGEPZSA-N 1 3 326.510 1.943 20 0 EDADHO CCN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617554665 449685666 /nfs/dbraw/zinc/68/56/66/449685666.db2.gz HKAJLEVIMQZGTO-IBGZPJMESA-N 1 3 344.503 1.751 20 0 EDADHO CCN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617554665 449685671 /nfs/dbraw/zinc/68/56/71/449685671.db2.gz HKAJLEVIMQZGTO-IBGZPJMESA-N 1 3 344.503 1.751 20 0 EDADHO CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCN(C)C1 ZINC000617551369 449682496 /nfs/dbraw/zinc/68/24/96/449682496.db2.gz PZEFUNXPSUFVBK-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000617503781 449646082 /nfs/dbraw/zinc/64/60/82/449646082.db2.gz YXPSDWKUCGVNFC-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000617503781 449646083 /nfs/dbraw/zinc/64/60/83/449646083.db2.gz YXPSDWKUCGVNFC-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602593139 449692838 /nfs/dbraw/zinc/69/28/38/449692838.db2.gz LNEYZOVSKZEGMT-UHFFFAOYSA-N 1 3 325.478 1.652 20 0 EDADHO C[NH+]1CCC(CC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000617701988 449747161 /nfs/dbraw/zinc/74/71/61/449747161.db2.gz FVYVSYSYYWUHTM-IBGZPJMESA-N 1 3 345.487 1.601 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC[N@@H+]1C ZINC000601312934 449822264 /nfs/dbraw/zinc/82/22/64/449822264.db2.gz OBGRMDZYASWPAC-FGTMMUONSA-N 1 3 336.524 1.344 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC[N@H+]1C ZINC000601312934 449822268 /nfs/dbraw/zinc/82/22/68/449822268.db2.gz OBGRMDZYASWPAC-FGTMMUONSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)[C@H](C(=O)NCCN(C)CCC[NH+](C)C)N1CCCCC1 ZINC000617767168 449831216 /nfs/dbraw/zinc/83/12/16/449831216.db2.gz JJIOQDZCXOKVEY-QGZVFWFLSA-N 1 3 326.529 1.497 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000612814023 449888695 /nfs/dbraw/zinc/88/86/95/449888695.db2.gz QAZBWFYXFCJKIR-NVXWUHKLSA-N 1 3 329.448 1.540 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccncc2)CC1 ZINC000612814023 449888699 /nfs/dbraw/zinc/88/86/99/449888699.db2.gz QAZBWFYXFCJKIR-NVXWUHKLSA-N 1 3 329.448 1.540 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000608675783 449905634 /nfs/dbraw/zinc/90/56/34/449905634.db2.gz VZAYOCHCZCOLLJ-INIZCTEOSA-N 1 3 344.503 1.727 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000608675783 449905639 /nfs/dbraw/zinc/90/56/39/449905639.db2.gz VZAYOCHCZCOLLJ-INIZCTEOSA-N 1 3 344.503 1.727 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3nccn3C)CC2)CC1 ZINC000620605666 450520745 /nfs/dbraw/zinc/52/07/45/450520745.db2.gz IHGHSUJLAAWTCS-OAHLLOKOSA-N 1 3 347.507 1.794 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623710067 450569098 /nfs/dbraw/zinc/56/90/98/450569098.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623710067 450569101 /nfs/dbraw/zinc/56/91/01/450569101.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106013 450581398 /nfs/dbraw/zinc/58/13/98/450581398.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 1 3 336.524 1.252 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106013 450581400 /nfs/dbraw/zinc/58/14/00/450581400.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 1 3 336.524 1.252 20 0 EDADHO CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000621153672 450601960 /nfs/dbraw/zinc/60/19/60/450601960.db2.gz XFEXWDQOYPJPDD-IEBWSBKVSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000621153672 450601965 /nfs/dbraw/zinc/60/19/65/450601965.db2.gz XFEXWDQOYPJPDD-IEBWSBKVSA-N 1 3 331.460 1.080 20 0 EDADHO COc1ccccc1N1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629559222 450736646 /nfs/dbraw/zinc/73/66/46/450736646.db2.gz QPITUHCEMBLMST-KRWDZBQOSA-N 1 3 333.476 1.710 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642528 450808417 /nfs/dbraw/zinc/80/84/17/450808417.db2.gz POTTVZTZDYDQAG-IXDOHACOSA-N 1 3 325.497 1.772 20 0 EDADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000621693084 450836754 /nfs/dbraw/zinc/83/67/54/450836754.db2.gz TZHFBBZVCQYCDD-AOIWGVFYSA-N 1 3 328.460 1.633 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965010 450923081 /nfs/dbraw/zinc/92/30/81/450923081.db2.gz QTQOVQDEKBVGAY-IAGOWNOFSA-N 1 3 345.553 1.854 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965010 450923088 /nfs/dbraw/zinc/92/30/88/450923088.db2.gz QTQOVQDEKBVGAY-IAGOWNOFSA-N 1 3 345.553 1.854 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000631930831 450889322 /nfs/dbraw/zinc/88/93/22/450889322.db2.gz AFCNGIOJKKAIFQ-UHFFFAOYSA-N 1 3 329.510 1.268 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000626954781 451032354 /nfs/dbraw/zinc/03/23/54/451032354.db2.gz LPRUVBRMFUSHLF-GOSISDBHSA-N 1 3 348.491 1.706 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000628050614 451105254 /nfs/dbraw/zinc/10/52/54/451105254.db2.gz IHCIXYOQHBNIRT-LBPRGKRZSA-N 1 3 331.411 1.209 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000628050614 451105260 /nfs/dbraw/zinc/10/52/60/451105260.db2.gz IHCIXYOQHBNIRT-LBPRGKRZSA-N 1 3 331.411 1.209 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627202821 451185136 /nfs/dbraw/zinc/18/51/36/451185136.db2.gz KFPADHSLTQITDU-KGLIPLIRSA-N 1 3 333.436 1.062 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)C23CCC[NH+](CCC2)C3)ccn1 ZINC000635746305 451215117 /nfs/dbraw/zinc/21/51/17/451215117.db2.gz DANGZPBHOOONDG-UHFFFAOYSA-N 1 3 346.475 1.514 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000635787688 451240015 /nfs/dbraw/zinc/24/00/15/451240015.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000635787688 451240022 /nfs/dbraw/zinc/24/00/22/451240022.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 1 3 331.460 1.211 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000638099532 451264751 /nfs/dbraw/zinc/26/47/51/451264751.db2.gz HESJAYSZGHPFNT-ICSRJNTNSA-N 1 3 345.487 1.876 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103068 451270835 /nfs/dbraw/zinc/27/08/35/451270835.db2.gz YZCIZHDIGLDKBW-MOPGFXCFSA-N 1 3 344.503 1.533 20 0 EDADHO C[C@@H]1NCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H]1C ZINC000638203101 451353468 /nfs/dbraw/zinc/35/34/68/451353468.db2.gz DHWCSUYLMHXMDK-STQMWFEESA-N 1 3 345.447 1.126 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238655 451373731 /nfs/dbraw/zinc/37/37/31/451373731.db2.gz BVUBYIFOKAWTSZ-MOPGFXCFSA-N 1 3 344.503 1.294 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630811344 451415587 /nfs/dbraw/zinc/41/55/87/451415587.db2.gz KFDIIXAYLKFOOR-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630811344 451415591 /nfs/dbraw/zinc/41/55/91/451415591.db2.gz KFDIIXAYLKFOOR-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1ccc(C(F)(F)F)n1 ZINC000630931639 451489937 /nfs/dbraw/zinc/48/99/37/451489937.db2.gz SVWOHONGTYSXPC-LBPRGKRZSA-N 1 3 349.401 1.415 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000638401674 451490522 /nfs/dbraw/zinc/49/05/22/451490522.db2.gz VUOSCIMTTAALOX-INIZCTEOSA-N 1 3 333.480 1.297 20 0 EDADHO CCN1CCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450554 451521797 /nfs/dbraw/zinc/52/17/97/451521797.db2.gz GLFNYCXVUKHLGZ-CQSZACIVSA-N 1 3 331.526 1.558 20 0 EDADHO CO[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCOCC1 ZINC000638587166 451591514 /nfs/dbraw/zinc/59/15/14/451591514.db2.gz BFAGJFUTHJJWIS-AEFFLSMTSA-N 1 3 325.497 1.186 20 0 EDADHO CN(CCN1CCN(CC23CC(C2)C[NH2+]3)CC1)Cc1ccccc1 ZINC000634992762 451640278 /nfs/dbraw/zinc/64/02/78/451640278.db2.gz ZZMRDXSPHOVLBY-UHFFFAOYSA-N 1 3 328.504 1.488 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC3(CCSCC3)CC2)C1 ZINC000634998560 451641201 /nfs/dbraw/zinc/64/12/01/451641201.db2.gz HJAUEDMFXSSOQT-OAHLLOKOSA-N 1 3 325.522 1.793 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCOC1 ZINC000638748401 451674731 /nfs/dbraw/zinc/67/47/31/451674731.db2.gz HYBGLOHKIBPXRG-NRSFXHEJSA-N 1 3 326.481 1.395 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956026 451667932 /nfs/dbraw/zinc/66/79/32/451667932.db2.gz SQSQRBCUNIJREJ-ZIAGYGMSSA-N 1 3 344.381 1.758 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000638729553 451668833 /nfs/dbraw/zinc/66/88/33/451668833.db2.gz QWOJWRIODMOOFG-JKSUJKDBSA-N 1 3 325.497 1.709 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@]1(C)C[NH3+] ZINC000632961275 451670620 /nfs/dbraw/zinc/67/06/20/451670620.db2.gz QKSZHISHQLEDQZ-CXAGYDPISA-N 1 3 334.468 1.598 20 0 EDADHO C[C@H](NC(=O)NCCN1CC[C@@H](O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000637137908 451737930 /nfs/dbraw/zinc/73/79/30/451737930.db2.gz USZUMLSAJPUQSC-USXIJHARSA-N 1 3 334.464 1.044 20 0 EDADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccco1 ZINC000637139399 451739251 /nfs/dbraw/zinc/73/92/51/451739251.db2.gz JYQAULOTGBSQBQ-KKUMJFAQSA-N 1 3 338.452 1.075 20 0 EDADHO CN1CCC(n2cc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000638977566 451744548 /nfs/dbraw/zinc/74/45/48/451744548.db2.gz MJBFHBDFMYADRC-LBPRGKRZSA-N 1 3 343.435 1.202 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC000639549866 451940202 /nfs/dbraw/zinc/94/02/02/451940202.db2.gz ILPKLSIZEOUJIN-KRWDZBQOSA-N 1 3 333.476 1.784 20 0 EDADHO CC(C)(CNC(=O)[C@H]1C[NH2+]CCOC1)N1CCc2ccccc2C1 ZINC000649292558 451967499 /nfs/dbraw/zinc/96/74/99/451967499.db2.gz PDSRXPPYYSZICS-KRWDZBQOSA-N 1 3 331.460 1.176 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000649299466 451976324 /nfs/dbraw/zinc/97/63/24/451976324.db2.gz XPWMCNHOQKRRJR-GJZGRUSLSA-N 1 3 325.522 1.839 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@]3(N)CCN(C)C3)c2)CC1 ZINC000649310813 451988251 /nfs/dbraw/zinc/98/82/51/451988251.db2.gz DNAMVSMIHNAKCU-HXUWFJFHSA-N 1 3 344.503 1.568 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](N3CCCCC3)C2)cnn1C ZINC000649322307 452001334 /nfs/dbraw/zinc/00/13/34/452001334.db2.gz LZXPVVPELIXRSY-JQHSSLGASA-N 1 3 345.491 1.118 20 0 EDADHO CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000637669890 452011220 /nfs/dbraw/zinc/01/12/20/452011220.db2.gz SKLOFVIYRZUPJS-QGZVFWFLSA-N 1 3 346.479 1.850 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639683245 452020948 /nfs/dbraw/zinc/02/09/48/452020948.db2.gz UCVABOYGABLCDJ-UHFFFAOYSA-N 1 3 345.447 1.314 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649345838 452028331 /nfs/dbraw/zinc/02/83/31/452028331.db2.gz PEILSTBJEYKELR-HNNXBMFYSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649345838 452028336 /nfs/dbraw/zinc/02/83/36/452028336.db2.gz PEILSTBJEYKELR-HNNXBMFYSA-N 1 3 347.459 1.724 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347256 452030082 /nfs/dbraw/zinc/03/00/82/452030082.db2.gz MTYXXSPYUNEGAW-OLZOCXBDSA-N 1 3 339.386 1.587 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721333 452045793 /nfs/dbraw/zinc/04/57/93/452045793.db2.gz ZRRCTQMPQVPZAW-HKUYNNGSSA-N 1 3 348.491 1.181 20 0 EDADHO NC[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078563 452046970 /nfs/dbraw/zinc/04/69/70/452046970.db2.gz BBKFXMBJYONOCZ-ZBFHGGJFSA-N 1 3 335.423 1.082 20 0 EDADHO NC(=O)c1cccnc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411544 452073910 /nfs/dbraw/zinc/07/39/10/452073910.db2.gz DFXSYVPJGSZGRZ-UHFFFAOYSA-N 1 3 331.464 1.082 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637829581 452105343 /nfs/dbraw/zinc/10/53/43/452105343.db2.gz RKMCRJCCUMYSDD-UHFFFAOYSA-N 1 3 347.463 1.421 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637866996 452122925 /nfs/dbraw/zinc/12/29/25/452122925.db2.gz RFFUMLYSMQLIJL-CQSZACIVSA-N 1 3 347.463 1.551 20 0 EDADHO COc1ccc(-c2nnc(N[C@@H](C)C[N@H+](C)CCCN(C)C)o2)cc1 ZINC000641656657 452174125 /nfs/dbraw/zinc/17/41/25/452174125.db2.gz KJMILCIXRBUQFB-AWEZNQCLSA-N 1 3 347.463 2.429 20 0 EDADHO COc1ccc(-c2nnc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)o2)cc1 ZINC000641656657 452174129 /nfs/dbraw/zinc/17/41/29/452174129.db2.gz KJMILCIXRBUQFB-AWEZNQCLSA-N 1 3 347.463 2.429 20 0 EDADHO C[C@@H]1C[N@H+](CCCNCc2ccnn2-c2ccncc2)CCCO1 ZINC000657449277 452253650 /nfs/dbraw/zinc/25/36/50/452253650.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 1 3 329.448 1.858 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNCc2ccnn2-c2ccncc2)CCCO1 ZINC000657449277 452253664 /nfs/dbraw/zinc/25/36/64/452253664.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 1 3 329.448 1.858 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]Cc2ccnn2-c2ccncc2)CCCO1 ZINC000657449277 452253680 /nfs/dbraw/zinc/25/36/80/452253680.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 1 3 329.448 1.858 20 0 EDADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788915 452267068 /nfs/dbraw/zinc/26/70/68/452267068.db2.gz WEZKADDFADNESR-QRVBRYPASA-N 1 3 338.540 1.103 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)N(C)C)cc1 ZINC000659428181 452271021 /nfs/dbraw/zinc/27/10/21/452271021.db2.gz XUKHRZBKEIASDB-URSIVYNOSA-N 1 3 330.476 1.903 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+]1CCCC1 ZINC000659431676 452277208 /nfs/dbraw/zinc/27/72/08/452277208.db2.gz PWTFTQAVMUEGOW-BZUAXINKSA-N 1 3 328.476 1.968 20 0 EDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000641803521 452280134 /nfs/dbraw/zinc/28/01/34/452280134.db2.gz GJDKODRRQMXLTB-HOTGVXAUSA-N 1 3 344.459 1.857 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000659440738 452289820 /nfs/dbraw/zinc/28/98/20/452289820.db2.gz KSAYQJJMQHHOAD-SZMVWBNQSA-N 1 3 346.475 1.534 20 0 EDADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643533803 452298046 /nfs/dbraw/zinc/29/80/46/452298046.db2.gz FDXVDPFQSOCPLN-CJNGLKHVSA-N 1 3 337.489 1.730 20 0 EDADHO CN(C)C(=O)N1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000643544901 452306670 /nfs/dbraw/zinc/30/66/70/452306670.db2.gz NLVAOKIDKVJEOV-UHFFFAOYSA-N 1 3 334.508 1.876 20 0 EDADHO CN(C)C(=O)N1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000643544901 452306677 /nfs/dbraw/zinc/30/66/77/452306677.db2.gz NLVAOKIDKVJEOV-UHFFFAOYSA-N 1 3 334.508 1.876 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000665745615 452314899 /nfs/dbraw/zinc/31/48/99/452314899.db2.gz KCNHRIIOWACNFX-CAOSSQGBSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000665745615 452314902 /nfs/dbraw/zinc/31/49/02/452314902.db2.gz KCNHRIIOWACNFX-CAOSSQGBSA-N 1 3 340.512 1.068 20 0 EDADHO N[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[C@H]1F ZINC000659463109 452317058 /nfs/dbraw/zinc/31/70/58/452317058.db2.gz PUUXZPMNCVXCRE-HZPDHXFCSA-N 1 3 326.460 1.864 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659462894 452318367 /nfs/dbraw/zinc/31/83/67/452318367.db2.gz MQGJEEDMLRYRGD-UHFFFAOYSA-N 1 3 326.485 1.447 20 0 EDADHO NC[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C(F)(F)F ZINC000655515801 452325134 /nfs/dbraw/zinc/32/51/34/452325134.db2.gz LGQXNYRHABNHEC-CQSZACIVSA-N 1 3 329.366 1.848 20 0 EDADHO COC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760718 452331406 /nfs/dbraw/zinc/33/14/06/452331406.db2.gz NXAPUSLGDHECRT-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO COC[C@H]1CCCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760718 452331415 /nfs/dbraw/zinc/33/14/15/452331415.db2.gz NXAPUSLGDHECRT-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638054099 452335152 /nfs/dbraw/zinc/33/51/52/452335152.db2.gz DXBIAVHUZDWWHA-GOSISDBHSA-N 1 3 330.476 1.189 20 0 EDADHO COCC1=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665761454 452336620 /nfs/dbraw/zinc/33/66/20/452336620.db2.gz DVTARGYGEPDJJH-HNNXBMFYSA-N 1 3 326.485 1.247 20 0 EDADHO COCC1=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665761454 452336626 /nfs/dbraw/zinc/33/66/26/452336626.db2.gz DVTARGYGEPDJJH-HNNXBMFYSA-N 1 3 326.485 1.247 20 0 EDADHO C[C@@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760887 452337040 /nfs/dbraw/zinc/33/70/40/452337040.db2.gz REVXUMYSAUTWKP-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](O)[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760887 452337047 /nfs/dbraw/zinc/33/70/47/452337047.db2.gz REVXUMYSAUTWKP-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000665760928 452337394 /nfs/dbraw/zinc/33/73/94/452337394.db2.gz SMBWVVJLKQDPRE-GVDBMIGSSA-N 1 3 340.512 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000665760928 452337403 /nfs/dbraw/zinc/33/74/03/452337403.db2.gz SMBWVVJLKQDPRE-GVDBMIGSSA-N 1 3 340.512 1.326 20 0 EDADHO Cc1noc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665763780 452348625 /nfs/dbraw/zinc/34/86/25/452348625.db2.gz LLTQYVXYDIMAPK-STQMWFEESA-N 1 3 340.472 1.352 20 0 EDADHO Cc1noc([C@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665763780 452348637 /nfs/dbraw/zinc/34/86/37/452348637.db2.gz LLTQYVXYDIMAPK-STQMWFEESA-N 1 3 340.472 1.352 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000659490224 452351276 /nfs/dbraw/zinc/35/12/76/452351276.db2.gz QSEMUKKXJBLGNZ-QFWMXSHPSA-N 1 3 336.402 1.699 20 0 EDADHO CC[NH2+]CCCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659505422 452371380 /nfs/dbraw/zinc/37/13/80/452371380.db2.gz MZKQDFIKKHNASM-QGZVFWFLSA-N 1 3 334.464 1.052 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654382488 452434646 /nfs/dbraw/zinc/43/46/46/452434646.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654382488 452434650 /nfs/dbraw/zinc/43/46/50/452434650.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788481 452521858 /nfs/dbraw/zinc/52/18/58/452521858.db2.gz KDSGOWGICWYCQK-FVQBIDKESA-N 1 3 337.489 1.415 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000659680952 452552835 /nfs/dbraw/zinc/55/28/35/452552835.db2.gz NJJWADKJMHPGST-HUUCEWRRSA-N 1 3 340.512 1.103 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1)c1ccccc1 ZINC000647883399 452620353 /nfs/dbraw/zinc/62/03/53/452620353.db2.gz OIXMETIHNWPBOW-KRWDZBQOSA-N 1 3 330.476 1.034 20 0 EDADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)Cc1ccccc1 ZINC000655916736 452677295 /nfs/dbraw/zinc/67/72/95/452677295.db2.gz HKAAEWREMXLEOA-WCQYABFASA-N 1 3 332.370 1.696 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NCCN(C)C3CC3)CC2)CC1 ZINC000654599481 452687877 /nfs/dbraw/zinc/68/78/77/452687877.db2.gz HJQFJGBZWOFQMP-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000655927274 452696111 /nfs/dbraw/zinc/69/61/11/452696111.db2.gz HAMPLORDNZCHDG-KWCYVHTRSA-N 1 3 344.381 1.838 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000658084561 452721061 /nfs/dbraw/zinc/72/10/61/452721061.db2.gz ASYUCQMUVVEKQA-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO [NH3+]CCOCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000645733199 452731774 /nfs/dbraw/zinc/73/17/74/452731774.db2.gz ILXMIVIGJLHMJJ-UHFFFAOYSA-N 1 3 332.448 1.132 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655958520 452740031 /nfs/dbraw/zinc/74/00/31/452740031.db2.gz LXQGPQFEKYYGHN-XKQJLSEDSA-N 1 3 344.459 1.778 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658146937 452755658 /nfs/dbraw/zinc/75/56/58/452755658.db2.gz WOMIFPUHFLZNBQ-LPHOPBHVSA-N 1 3 347.503 1.990 20 0 EDADHO CN(CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452785995 /nfs/dbraw/zinc/78/59/95/452785995.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 1 3 346.475 1.147 20 0 EDADHO CN(CCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452786005 /nfs/dbraw/zinc/78/60/05/452786005.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 1 3 346.475 1.147 20 0 EDADHO O=C(CCOC1CNC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645787012 452788369 /nfs/dbraw/zinc/78/83/69/452788369.db2.gz RRXRPULXSKWHRQ-KRWDZBQOSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(CCOC1CNC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645787012 452788374 /nfs/dbraw/zinc/78/83/74/452788374.db2.gz RRXRPULXSKWHRQ-KRWDZBQOSA-N 1 3 331.460 1.393 20 0 EDADHO O=C([C@H]1CNCCOC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000648117659 452833727 /nfs/dbraw/zinc/83/37/27/452833727.db2.gz GTCKTWFSZKLKRQ-HOTGVXAUSA-N 1 3 349.500 1.455 20 0 EDADHO COCCCN1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000645884268 452877042 /nfs/dbraw/zinc/87/70/42/452877042.db2.gz ZRZUZHLRJKNCQG-KRWDZBQOSA-N 1 3 349.479 1.038 20 0 EDADHO CN(C)CCC[N@H+](C)CCNc1cc(N2CCSCC2)ncn1 ZINC000664247548 452927780 /nfs/dbraw/zinc/92/77/80/452927780.db2.gz BBDNJEKIJGYKJH-UHFFFAOYSA-N 1 3 338.525 1.325 20 0 EDADHO CN(C)CCC[N@@H+](C)CCNc1cc(N2CCSCC2)ncn1 ZINC000664247548 452927787 /nfs/dbraw/zinc/92/77/87/452927787.db2.gz BBDNJEKIJGYKJH-UHFFFAOYSA-N 1 3 338.525 1.325 20 0 EDADHO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000645959220 452938827 /nfs/dbraw/zinc/93/88/27/452938827.db2.gz STBVAHRGGZUNJR-CGTJXYLNSA-N 1 3 333.476 1.532 20 0 EDADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1cccc(C(F)(F)F)c1 ZINC000662287230 453012028 /nfs/dbraw/zinc/01/20/28/453012028.db2.gz VRYYLAMZUYTQNF-UHFFFAOYSA-N 1 3 345.365 1.738 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666631031 453022851 /nfs/dbraw/zinc/02/28/51/453022851.db2.gz FAFHJPHWJHHLEP-UHFFFAOYSA-N 1 3 346.475 1.712 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000664349372 453022962 /nfs/dbraw/zinc/02/29/62/453022962.db2.gz KJTILHMWXLBASY-IRXDYDNUSA-N 1 3 340.512 1.061 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645491 453032719 /nfs/dbraw/zinc/03/27/19/453032719.db2.gz UDDJXEOVXVBSTK-OALUTQOASA-N 1 3 344.503 1.390 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645491 453032725 /nfs/dbraw/zinc/03/27/25/453032725.db2.gz UDDJXEOVXVBSTK-OALUTQOASA-N 1 3 344.503 1.390 20 0 EDADHO CN1CCC[C@@H](N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662328088 453045935 /nfs/dbraw/zinc/04/59/35/453045935.db2.gz YISZHPWJZMUJJI-GOSISDBHSA-N 1 3 345.491 1.677 20 0 EDADHO CN1CCC[C@@H](N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662328088 453045940 /nfs/dbraw/zinc/04/59/40/453045940.db2.gz YISZHPWJZMUJJI-GOSISDBHSA-N 1 3 345.491 1.677 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000662336532 453054046 /nfs/dbraw/zinc/05/40/46/453054046.db2.gz DUXILMJNFWOIGI-OAHLLOKOSA-N 1 3 326.448 1.594 20 0 EDADHO CO[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)[C@H]1CCOC1 ZINC000660151900 453082953 /nfs/dbraw/zinc/08/29/53/453082953.db2.gz XOPICXMIDWGENP-HKUYNNGSSA-N 1 3 339.524 1.528 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787342 453146644 /nfs/dbraw/zinc/14/66/44/453146644.db2.gz JBZFNDGRRWEIAC-MRXNPFEDSA-N 1 3 332.448 1.465 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CN(C2CCCCC2)C1 ZINC000655027930 453150886 /nfs/dbraw/zinc/15/08/86/453150886.db2.gz GZIRMCKZIHCNHF-QRVBRYPASA-N 1 3 349.519 1.961 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662444956 453151927 /nfs/dbraw/zinc/15/19/27/453151927.db2.gz LNMQWBIWZOIFBL-INIZCTEOSA-N 1 3 340.512 1.010 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666808125 453161034 /nfs/dbraw/zinc/16/10/34/453161034.db2.gz UQGUZXBUCPTDKX-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000648648729 453185616 /nfs/dbraw/zinc/18/56/16/453185616.db2.gz QPVVUIPZRJVOMI-SFHVURJKSA-N 1 3 335.492 1.563 20 0 EDADHO COC1CCN(CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000646180991 453192082 /nfs/dbraw/zinc/19/20/82/453192082.db2.gz OJPDXHUWEKDZES-LJQANCHMSA-N 1 3 331.460 1.145 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000664639215 453276084 /nfs/dbraw/zinc/27/60/84/453276084.db2.gz DLOKALLFTOSWJE-YESZJQIVSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCO[C@@H](C)C1 ZINC000664639215 453276090 /nfs/dbraw/zinc/27/60/90/453276090.db2.gz DLOKALLFTOSWJE-YESZJQIVSA-N 1 3 342.528 1.763 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653108990 453293347 /nfs/dbraw/zinc/29/33/47/453293347.db2.gz PAIWWBIQFVDWEM-QZTJIDSGSA-N 1 3 331.460 1.774 20 0 EDADHO CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CCc2ccccc2C1 ZINC000653109749 453295419 /nfs/dbraw/zinc/29/54/19/453295419.db2.gz LOAGNTQVMHVFSZ-PXNSSMCTSA-N 1 3 343.471 1.176 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)c1ccsc1 ZINC000653109629 453296320 /nfs/dbraw/zinc/29/63/20/453296320.db2.gz HWFCKAWWUOGWEF-LSDHHAIUSA-N 1 3 326.510 1.526 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CC12CCOCC2 ZINC000662571998 453297881 /nfs/dbraw/zinc/29/78/81/453297881.db2.gz VNESRFGSYMWICC-DOTOQJQBSA-N 1 3 329.444 1.435 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc4c(s3)CCNC4)C2)C1 ZINC000662583815 453310810 /nfs/dbraw/zinc/31/08/10/453310810.db2.gz WTDBTCYCAKZIIR-CFVMTHIKSA-N 1 3 349.500 1.752 20 0 EDADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CNCc4ccccc43)sc2C1 ZINC000646358966 453347440 /nfs/dbraw/zinc/34/74/40/453347440.db2.gz GXVZMXXELPNIFC-AAEUAGOBSA-N 1 3 328.441 1.785 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000646444116 453389211 /nfs/dbraw/zinc/38/92/11/453389211.db2.gz KJQIEDRJFDCIFX-ZWKOTPCHSA-N 1 3 331.460 1.683 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000646444116 453389219 /nfs/dbraw/zinc/38/92/19/453389219.db2.gz KJQIEDRJFDCIFX-ZWKOTPCHSA-N 1 3 331.460 1.683 20 0 EDADHO O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294314 453409720 /nfs/dbraw/zinc/40/97/20/453409720.db2.gz SLBQFRMIPCRCBU-RBUKOAKNSA-N 1 3 343.471 1.564 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@@H]1CCCN(C)C1 ZINC000662737811 453463187 /nfs/dbraw/zinc/46/31/87/453463187.db2.gz CSBBKVDNYUEKCG-BFYDXBDKSA-N 1 3 344.459 1.529 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660702128 453526902 /nfs/dbraw/zinc/52/69/02/453526902.db2.gz GFQJJDQXKWPDKS-DLBZAZTESA-N 1 3 336.480 1.023 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660702128 453526910 /nfs/dbraw/zinc/52/69/10/453526910.db2.gz GFQJJDQXKWPDKS-DLBZAZTESA-N 1 3 336.480 1.023 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN(CC)CC)cc1 ZINC000662868990 453580794 /nfs/dbraw/zinc/58/07/94/453580794.db2.gz STJJRTBDKLFMJI-ROUUACIJSA-N 1 3 333.476 1.989 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[C@@H]2C1 ZINC000659038293 453593052 /nfs/dbraw/zinc/59/30/52/453593052.db2.gz OHRXRROWDKBQOZ-OLMNPRSZSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[C@@H]2C1 ZINC000659038293 453593055 /nfs/dbraw/zinc/59/30/55/453593055.db2.gz OHRXRROWDKBQOZ-OLMNPRSZSA-N 1 3 344.459 1.905 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000665232116 453616319 /nfs/dbraw/zinc/61/63/19/453616319.db2.gz GFKFAEJDNDIHCH-SCTDSRPQSA-N 1 3 336.476 1.722 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2CN)cc1 ZINC000665232116 453616326 /nfs/dbraw/zinc/61/63/26/453616326.db2.gz GFKFAEJDNDIHCH-SCTDSRPQSA-N 1 3 336.476 1.722 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620533 /nfs/dbraw/zinc/62/05/33/453620533.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 1 3 331.504 1.894 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620535 /nfs/dbraw/zinc/62/05/35/453620535.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 1 3 331.504 1.894 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1(C)C ZINC000662973148 453631057 /nfs/dbraw/zinc/63/10/57/453631057.db2.gz OQGXFDOBAFSUEC-DAYGRLMNSA-N 1 3 341.496 1.088 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104259 453636813 /nfs/dbraw/zinc/63/68/13/453636813.db2.gz ZFFIJOKIRUJBBR-MRXNPFEDSA-N 1 3 332.448 1.335 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005661 453644299 /nfs/dbraw/zinc/64/42/99/453644299.db2.gz XFVJBZZXNPEJLX-YZLZLFLDSA-N 1 3 349.519 1.757 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005661 453644303 /nfs/dbraw/zinc/64/43/03/453644303.db2.gz XFVJBZZXNPEJLX-YZLZLFLDSA-N 1 3 349.519 1.757 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(N)CC3(CCC3)C2)[C@@H](C)C1 ZINC000659285312 453700725 /nfs/dbraw/zinc/70/07/25/453700725.db2.gz LWODHGVKNONGPE-JKSUJKDBSA-N 1 3 337.508 1.901 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(N)CC3(CCC3)C2)[C@@H](C)C1 ZINC000659285312 453700727 /nfs/dbraw/zinc/70/07/27/453700727.db2.gz LWODHGVKNONGPE-JKSUJKDBSA-N 1 3 337.508 1.901 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661201183 453755833 /nfs/dbraw/zinc/75/58/33/453755833.db2.gz ZSSGPASBVARJAQ-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661201183 453755841 /nfs/dbraw/zinc/75/58/41/453755841.db2.gz ZSSGPASBVARJAQ-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000657284641 453758256 /nfs/dbraw/zinc/75/82/56/453758256.db2.gz UDCATDHNOUTVMW-GOSISDBHSA-N 1 3 344.503 1.834 20 0 EDADHO CN(C(=O)CC[NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000663358991 453777820 /nfs/dbraw/zinc/77/78/20/453777820.db2.gz BQPZEYIYYAFQPV-INIZCTEOSA-N 1 3 346.475 1.217 20 0 EDADHO CN(C(=O)CCNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000663358991 453777822 /nfs/dbraw/zinc/77/78/22/453777822.db2.gz BQPZEYIYYAFQPV-INIZCTEOSA-N 1 3 346.475 1.217 20 0 EDADHO CN(C(=O)CCNCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000663358991 453777824 /nfs/dbraw/zinc/77/78/24/453777824.db2.gz BQPZEYIYYAFQPV-INIZCTEOSA-N 1 3 346.475 1.217 20 0 EDADHO COc1cc2nccc(NCCC[NH+]3CCC(O)CC3)c2cc1OC ZINC000663402295 453789862 /nfs/dbraw/zinc/78/98/62/453789862.db2.gz HXIZZEYLZSKJRL-UHFFFAOYSA-N 1 3 345.443 1.933 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3nc4c(s3)CNCC4)CC2)C1 ZINC000663495808 453810495 /nfs/dbraw/zinc/81/04/95/453810495.db2.gz BDAGEKHLTVUERU-HIFRSBDPSA-N 1 3 336.505 1.507 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000680137053 486710513 /nfs/dbraw/zinc/71/05/13/486710513.db2.gz LGPYXERGTQDCPH-KRWDZBQOSA-N 1 3 340.489 1.684 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687317 486762323 /nfs/dbraw/zinc/76/23/23/486762323.db2.gz KQKAOGRCLAKMIO-ZBFHGGJFSA-N 1 3 334.468 1.535 20 0 EDADHO C[NH2+]CCN(C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418079045 486824533 /nfs/dbraw/zinc/82/45/33/486824533.db2.gz XLVBFBRPXRMEDG-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667537212 486830383 /nfs/dbraw/zinc/83/03/83/486830383.db2.gz TYMGHJGGCGTFCT-DOTOQJQBSA-N 1 3 344.459 1.206 20 0 EDADHO O=C1C[C@@]2(CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026723 486916602 /nfs/dbraw/zinc/91/66/02/486916602.db2.gz HLVAQAUVEWSNLF-FQEVSTJZSA-N 1 3 343.471 1.873 20 0 EDADHO C[C@H](Cn1ccnc1)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681208192 486973937 /nfs/dbraw/zinc/97/39/37/486973937.db2.gz ZYOULSTWEPHKCH-WBVHZDCISA-N 1 3 348.495 1.082 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000667810281 486976986 /nfs/dbraw/zinc/97/69/86/486976986.db2.gz PCUIDYUWOHPYSJ-UHFFFAOYSA-N 1 3 341.415 1.773 20 0 EDADHO CN(C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1 ZINC000321438299 486992850 /nfs/dbraw/zinc/99/28/50/486992850.db2.gz MHXVRUHTEKOABQ-HIFRSBDPSA-N 1 3 329.366 1.948 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC(C)(C)C(F)F)CC2)CC1 ZINC000684259748 487004741 /nfs/dbraw/zinc/00/47/41/487004741.db2.gz GMKNBFCGHUEPMK-UHFFFAOYSA-N 1 3 332.439 1.888 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1 ZINC000673616365 487069949 /nfs/dbraw/zinc/06/99/49/487069949.db2.gz SRYSTCBWMZWZSO-SFHVURJKSA-N 1 3 329.444 1.888 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000673867166 487139461 /nfs/dbraw/zinc/13/94/61/487139461.db2.gz JXQAGFUBJBNCAN-INIZCTEOSA-N 1 3 334.468 1.537 20 0 EDADHO CN1CCC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673932456 487162107 /nfs/dbraw/zinc/16/21/07/487162107.db2.gz VYRZDLYLINJRLA-GOSISDBHSA-N 1 3 331.460 1.872 20 0 EDADHO C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000678601383 487340448 /nfs/dbraw/zinc/34/04/48/487340448.db2.gz OOBMSKOHIFUILD-TXPKVOOTSA-N 1 3 335.492 1.997 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC[N@H+](C)C2CCCCC2)cn1 ZINC000682395931 487357214 /nfs/dbraw/zinc/35/72/14/487357214.db2.gz IQVATAVNTNLAFZ-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cn1 ZINC000682395931 487357216 /nfs/dbraw/zinc/35/72/16/487357216.db2.gz IQVATAVNTNLAFZ-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000675191993 487387430 /nfs/dbraw/zinc/38/74/30/487387430.db2.gz SLRKJHRMKKXAAJ-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668309704 485587909 /nfs/dbraw/zinc/58/79/09/485587909.db2.gz CHYDVAXVNJFXFX-IBGZPJMESA-N 1 3 347.503 1.903 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347616 485995911 /nfs/dbraw/zinc/99/59/11/485995911.db2.gz WJTYJILAHLLAJW-DOTOQJQBSA-N 1 3 333.480 1.012 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191907 /nfs/dbraw/zinc/19/19/07/486191907.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000669508993 486292554 /nfs/dbraw/zinc/29/25/54/486292554.db2.gz ZEQHMSFKCRETTI-JKSUJKDBSA-N 1 3 331.391 1.693 20 0 EDADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490357 491179728 /nfs/dbraw/zinc/17/97/28/491179728.db2.gz QHEFGLFNBLMSMS-ROUUACIJSA-N 1 3 341.459 1.281 20 0 EDADHO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000262022240 536465515 /nfs/dbraw/zinc/46/55/15/536465515.db2.gz IUOGMMHUTWGSOO-OAHLLOKOSA-N 1 3 325.478 1.368 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000782 /nfs/dbraw/zinc/00/07/82/535000782.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 1 3 333.476 1.326 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000787 /nfs/dbraw/zinc/00/07/87/535000787.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 1 3 333.476 1.326 20 0 EDADHO CC(C)[C@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262695471 535048214 /nfs/dbraw/zinc/04/82/14/535048214.db2.gz DCWFNVGMUMSHJW-SFHVURJKSA-N 1 3 348.491 1.259 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CCN(CC)CC1 ZINC000339670646 535503119 /nfs/dbraw/zinc/50/31/19/535503119.db2.gz NQBJINFFYOJWIP-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341461306 535514524 /nfs/dbraw/zinc/51/45/24/535514524.db2.gz MHOWJDGPUODOSP-UHFFFAOYSA-N 1 3 342.528 1.907 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890241 /nfs/dbraw/zinc/89/02/41/535890241.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 1 3 344.503 1.694 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890243 /nfs/dbraw/zinc/89/02/43/535890243.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 1 3 344.503 1.694 20 0 EDADHO CO[C@H]1CCC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000339546405 536715055 /nfs/dbraw/zinc/71/50/55/536715055.db2.gz PVBOFKIYUAJWMB-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247310197 536784850 /nfs/dbraw/zinc/78/48/50/536784850.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247310197 536784856 /nfs/dbraw/zinc/78/48/56/536784856.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247482527 536860113 /nfs/dbraw/zinc/86/01/13/536860113.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247482527 536860117 /nfs/dbraw/zinc/86/01/17/536860117.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cn2cccn2)o1 ZINC000728611473 578549469 /nfs/dbraw/zinc/54/94/69/578549469.db2.gz IAPXPQRWIPGYKM-UHFFFAOYSA-N 1 3 333.436 1.090 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000729495749 578577539 /nfs/dbraw/zinc/57/75/39/578577539.db2.gz IJCUYSOKUIAGDC-CVEARBPZSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1nc2c(cnn2C)c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000732805222 578730552 /nfs/dbraw/zinc/73/05/52/578730552.db2.gz RLXQSAADNZYJNC-ZDUSSCGKSA-N 1 3 329.452 1.252 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816433 580321220 /nfs/dbraw/zinc/32/12/20/580321220.db2.gz GOWQIBCEVVPPFI-RHSMWYFYSA-N 1 3 336.549 1.904 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816433 580321221 /nfs/dbraw/zinc/32/12/21/580321221.db2.gz GOWQIBCEVVPPFI-RHSMWYFYSA-N 1 3 336.549 1.904 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857710 590659650 /nfs/dbraw/zinc/65/96/50/590659650.db2.gz DQFLCFHUSMNGQS-KGLIPLIRSA-N 1 3 348.438 1.031 20 0 EDADHO C[C@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1ccncc1 ZINC000892060436 590778841 /nfs/dbraw/zinc/77/88/41/590778841.db2.gz PNCHCIQNRJSOCZ-MAUKXSAKSA-N 1 3 331.464 1.691 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169002 590839977 /nfs/dbraw/zinc/83/99/77/590839977.db2.gz HUWMOFSEZYWBGR-SQNIBIBYSA-N 1 3 330.476 1.996 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892169148 590840583 /nfs/dbraw/zinc/84/05/83/590840583.db2.gz INFKVSKWGXWWLL-JKSUJKDBSA-N 1 3 326.485 1.114 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000892182111 590849391 /nfs/dbraw/zinc/84/93/91/590849391.db2.gz XIDVMLFCKOIWQS-KBAYOESNSA-N 1 3 346.475 1.042 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000892182111 590849395 /nfs/dbraw/zinc/84/93/95/590849395.db2.gz XIDVMLFCKOIWQS-KBAYOESNSA-N 1 3 346.475 1.042 20 0 EDADHO CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000892213013 590868118 /nfs/dbraw/zinc/86/81/18/590868118.db2.gz UDGGXLCFJWLPOK-ROUUACIJSA-N 1 3 332.492 1.895 20 0 EDADHO COCCC1(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237295 590880639 /nfs/dbraw/zinc/88/06/39/590880639.db2.gz YWTNVLLNYVKYAN-JKSUJKDBSA-N 1 3 338.496 1.461 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266877 590899774 /nfs/dbraw/zinc/89/97/74/590899774.db2.gz ILHARDUMNCLXBT-INIZCTEOSA-N 1 3 338.496 1.128 20 0 EDADHO CC(C)CN(CC1CCN(C)CC1)C(=O)NCCOCCC[NH3+] ZINC000892290138 590917759 /nfs/dbraw/zinc/91/77/59/590917759.db2.gz DJXVQZRQTXSCQW-UHFFFAOYSA-N 1 3 328.501 1.361 20 0 EDADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2Cc3ccccc3CN2)[NH2+]C1 ZINC000892378114 591000848 /nfs/dbraw/zinc/00/08/48/591000848.db2.gz QCBFJLJDHRKYGJ-SJORKVTESA-N 1 3 330.476 1.778 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892451938 591032602 /nfs/dbraw/zinc/03/26/02/591032602.db2.gz HAQOSIWGNCECMS-NXVRBGIVSA-N 1 3 329.448 1.668 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892597248 591087602 /nfs/dbraw/zinc/08/76/02/591087602.db2.gz QUXASAGCTCVLEZ-UHFFFAOYSA-N 1 3 349.544 1.825 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000891659336 591172363 /nfs/dbraw/zinc/17/23/63/591172363.db2.gz DTBOQEXZGOEGAU-OIISXLGYSA-N 1 3 330.476 1.871 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891670869 591176812 /nfs/dbraw/zinc/17/68/12/591176812.db2.gz UPRIJTFGGCQOJF-QFBILLFUSA-N 1 3 344.503 1.978 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891670869 591176813 /nfs/dbraw/zinc/17/68/13/591176813.db2.gz UPRIJTFGGCQOJF-QFBILLFUSA-N 1 3 344.503 1.978 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891674324 591179430 /nfs/dbraw/zinc/17/94/30/591179430.db2.gz WXCKEARFFHFPGJ-MSOLQXFVSA-N 1 3 330.476 1.875 20 0 EDADHO CN(C(=O)NCCC(C)(C)[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000892861474 591206363 /nfs/dbraw/zinc/20/63/63/591206363.db2.gz RQOMMXLKAVHJMD-UHFFFAOYSA-N 1 3 347.507 1.857 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800919 591228284 /nfs/dbraw/zinc/22/82/84/591228284.db2.gz WZWBONCSSHHFTO-KSSFIOAISA-N 1 3 339.443 1.984 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800919 591228288 /nfs/dbraw/zinc/22/82/88/591228288.db2.gz WZWBONCSSHHFTO-KSSFIOAISA-N 1 3 339.443 1.984 20 0 EDADHO COC(=O)/C=C/c1ccc(CNCCC[N@@H+]2CCCN(C)CC2)o1 ZINC000894375496 591294644 /nfs/dbraw/zinc/29/46/44/591294644.db2.gz LJSCCNPUNMMGES-BQYQJAHWSA-N 1 3 335.448 1.583 20 0 EDADHO COC(=O)/C=C/c1ccc(CNCCC[N@H+]2CCCN(C)CC2)o1 ZINC000894375496 591294645 /nfs/dbraw/zinc/29/46/45/591294645.db2.gz LJSCCNPUNMMGES-BQYQJAHWSA-N 1 3 335.448 1.583 20 0 EDADHO COC(=O)c1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000898584749 591422925 /nfs/dbraw/zinc/42/29/25/591422925.db2.gz JLXXLZHWTGDPCX-ZDUSSCGKSA-N 1 3 339.436 1.376 20 0 EDADHO COC(=O)c1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000898584749 591422928 /nfs/dbraw/zinc/42/29/28/591422928.db2.gz JLXXLZHWTGDPCX-ZDUSSCGKSA-N 1 3 339.436 1.376 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000898585274 591423172 /nfs/dbraw/zinc/42/31/72/591423172.db2.gz QNRMRQDLFJGGTH-KBPBESRZSA-N 1 3 335.496 1.536 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC000898585274 591423173 /nfs/dbraw/zinc/42/31/73/591423173.db2.gz QNRMRQDLFJGGTH-KBPBESRZSA-N 1 3 335.496 1.536 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCN2CCC[C@H]2C)C1 ZINC000897482570 591488514 /nfs/dbraw/zinc/48/85/14/591488514.db2.gz BNKPNOQZVIKPEJ-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCC[C@@H]2C)CC1 ZINC000897488274 591492700 /nfs/dbraw/zinc/49/27/00/591492700.db2.gz ZIURPQJBHQJYIG-HNNXBMFYSA-N 1 3 326.485 1.005 20 0 EDADHO CN(C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)Cc1ccccc1 ZINC000895458719 591765067 /nfs/dbraw/zinc/76/50/67/591765067.db2.gz RGYZFLLUXPSHOF-IBGZPJMESA-N 1 3 345.487 1.386 20 0 EDADHO [NH3+]CCC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000902498827 592002507 /nfs/dbraw/zinc/00/25/07/592002507.db2.gz GCNLIHWACXYWQO-HZPDHXFCSA-N 1 3 327.432 1.831 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900685465 592094213 /nfs/dbraw/zinc/09/42/13/592094213.db2.gz TYFMULRWKIJDTJ-OKZBNKHCSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900685465 592094216 /nfs/dbraw/zinc/09/42/16/592094216.db2.gz TYFMULRWKIJDTJ-OKZBNKHCSA-N 1 3 335.492 1.763 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000900687860 592095455 /nfs/dbraw/zinc/09/54/55/592095455.db2.gz ZIUGUEHEXOVZSS-UHFFFAOYSA-N 1 3 333.480 1.393 20 0 EDADHO C[C@@H]1C[C@H](NC[C@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277814 592150141 /nfs/dbraw/zinc/15/01/41/592150141.db2.gz CHOUCTLHNIMFFG-RLLQIKCJSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@H](NC[C@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277814 592150142 /nfs/dbraw/zinc/15/01/42/592150142.db2.gz CHOUCTLHNIMFFG-RLLQIKCJSA-N 1 3 347.503 1.322 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)CCCN2CCN(C(C)C)CC2)C1 ZINC000900888085 592157809 /nfs/dbraw/zinc/15/78/09/592157809.db2.gz YLOOLBGOBOPEBT-SFHVURJKSA-N 1 3 338.540 1.735 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000903441825 592172211 /nfs/dbraw/zinc/17/22/11/592172211.db2.gz BNYUFHBTWJLLTH-ZWKOTPCHSA-N 1 3 330.476 1.048 20 0 EDADHO CCO[C@@H](C)c1noc(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445350 592172932 /nfs/dbraw/zinc/17/29/32/592172932.db2.gz INLLQNOHYYCRQX-ZNMIVQPWSA-N 1 3 337.468 1.412 20 0 EDADHO COc1cc(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000903444540 592173045 /nfs/dbraw/zinc/17/30/45/592173045.db2.gz BTNGBKOIGDIGGO-WBVHZDCISA-N 1 3 333.476 1.949 20 0 EDADHO CC1(C)C[NH2+]CC[C@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903454727 592174090 /nfs/dbraw/zinc/17/40/90/592174090.db2.gz INLSEWSFTUBWOF-MRXNPFEDSA-N 1 3 345.443 1.277 20 0 EDADHO CC1(C)CNCC[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903454727 592174091 /nfs/dbraw/zinc/17/40/91/592174091.db2.gz INLSEWSFTUBWOF-MRXNPFEDSA-N 1 3 345.443 1.277 20 0 EDADHO COc1ccc(CNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494553 592186851 /nfs/dbraw/zinc/18/68/51/592186851.db2.gz JOWNKAJFSASJQY-UKRRQHHQSA-N 1 3 335.448 1.237 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC1CCCCCC1 ZINC000903509785 592189844 /nfs/dbraw/zinc/18/98/44/592189844.db2.gz ARYHIBXQSRIDDD-KDURUIRLSA-N 1 3 348.535 1.726 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC1CCCCCC1 ZINC000903509785 592189845 /nfs/dbraw/zinc/18/98/45/592189845.db2.gz ARYHIBXQSRIDDD-KDURUIRLSA-N 1 3 348.535 1.726 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccccc2CN)c1 ZINC000906646554 592232081 /nfs/dbraw/zinc/23/20/81/592232081.db2.gz TVAGHXLYRFWGAL-UHFFFAOYSA-N 1 3 340.427 1.462 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906677381 592258230 /nfs/dbraw/zinc/25/82/30/592258230.db2.gz CRPJJOWFJZSXNE-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000906679080 592260040 /nfs/dbraw/zinc/26/00/40/592260040.db2.gz SKDQJXOXVYHNKK-JKSUJKDBSA-N 1 3 330.432 1.217 20 0 EDADHO CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1CN ZINC000906681340 592262766 /nfs/dbraw/zinc/26/27/66/592262766.db2.gz VKZKXMQHMHUIEE-UHFFFAOYSA-N 1 3 346.475 1.808 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904509382 592273780 /nfs/dbraw/zinc/27/37/80/592273780.db2.gz JEDAEKFYTXGUPP-MSOLQXFVSA-N 1 3 346.475 1.859 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000904511114 592274605 /nfs/dbraw/zinc/27/46/05/592274605.db2.gz VNCWXZXJDSBJTE-ZWKOTPCHSA-N 1 3 346.475 1.859 20 0 EDADHO C[C@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)CN1CCN(C)CC1 ZINC000904581752 592286832 /nfs/dbraw/zinc/28/68/32/592286832.db2.gz HBAWEHQKISPJCK-OAHLLOKOSA-N 1 3 347.507 1.885 20 0 EDADHO O=C1CCCCN1[C@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903730353 592287535 /nfs/dbraw/zinc/28/75/35/592287535.db2.gz VWMUFVWDNIAWTL-IRXDYDNUSA-N 1 3 335.492 1.622 20 0 EDADHO Cc1cnc(OC2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903768873 592309553 /nfs/dbraw/zinc/30/95/53/592309553.db2.gz UDVONIQSHISKAG-FUHWJXTLSA-N 1 3 332.448 1.397 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903860713 592349320 /nfs/dbraw/zinc/34/93/20/592349320.db2.gz UKFFXPWWFZYSHO-ZHALLVOQSA-N 1 3 330.476 1.219 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(C)CCN(C)c2ccccc2)cnn1C ZINC000903891538 592352445 /nfs/dbraw/zinc/35/24/45/592352445.db2.gz CBPCFVUKAVDNPG-QGZVFWFLSA-N 1 3 329.492 1.914 20 0 EDADHO C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903891059 592352658 /nfs/dbraw/zinc/35/26/58/592352658.db2.gz IWGAIXFMZBOUCF-WELJNPPOSA-N 1 3 348.535 1.582 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(C(=O)NCC(C)C)CC2)cnn1C ZINC000903878909 592359511 /nfs/dbraw/zinc/35/95/11/592359511.db2.gz NDVGGNWHWHJBRD-INIZCTEOSA-N 1 3 349.523 1.330 20 0 EDADHO Cc1nc2cncc(N3CCN(CC4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)n2n1 ZINC000903914174 592376196 /nfs/dbraw/zinc/37/61/96/592376196.db2.gz GYHBPBQJGDHABF-MQVJKMGUSA-N 1 3 341.463 1.085 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905051988 592380648 /nfs/dbraw/zinc/38/06/48/592380648.db2.gz YHUWHSKEOXKHEY-RTBURBONSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905051988 592380654 /nfs/dbraw/zinc/38/06/54/592380654.db2.gz YHUWHSKEOXKHEY-RTBURBONSA-N 1 3 336.476 1.519 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC[C@H](O)C1(O)CCOCC1 ZINC000905029194 592386441 /nfs/dbraw/zinc/38/64/41/592386441.db2.gz ZTXJPUYAUJMJAR-SFHVURJKSA-N 1 3 336.476 1.520 20 0 EDADHO NCC(=O)N1CCC[C@@H](CN(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000903953157 592394486 /nfs/dbraw/zinc/39/44/86/592394486.db2.gz BDCCAFVYWPLHGB-HNNXBMFYSA-N 1 3 338.883 1.298 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c[nH]1 ZINC000903980785 592401541 /nfs/dbraw/zinc/40/15/41/592401541.db2.gz ZUTHJFDPPSJEFL-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c[nH]1 ZINC000903980785 592401543 /nfs/dbraw/zinc/40/15/43/592401543.db2.gz ZUTHJFDPPSJEFL-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c[nH]1 ZINC000903980785 592401547 /nfs/dbraw/zinc/40/15/47/592401547.db2.gz ZUTHJFDPPSJEFL-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)[nH]1 ZINC000903980716 592401769 /nfs/dbraw/zinc/40/17/69/592401769.db2.gz YMOQQKJPUZTUHC-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)[nH]1 ZINC000903980716 592401772 /nfs/dbraw/zinc/40/17/72/592401772.db2.gz YMOQQKJPUZTUHC-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)[nH]1 ZINC000903980716 592401774 /nfs/dbraw/zinc/40/17/74/592401774.db2.gz YMOQQKJPUZTUHC-IYBDPMFKSA-N 1 3 332.448 1.202 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904093527 592429848 /nfs/dbraw/zinc/42/98/48/592429848.db2.gz ZSFHPTQAEFIJCL-IVMMDQJWSA-N 1 3 328.416 2.000 20 0 EDADHO COCCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CCN(C)CC1 ZINC000908293898 592435163 /nfs/dbraw/zinc/43/51/63/592435163.db2.gz KHSBKSGZHRQRMR-WMZOPIPTSA-N 1 3 337.508 1.963 20 0 EDADHO COCCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CCN(C)CC1 ZINC000908293898 592435166 /nfs/dbraw/zinc/43/51/66/592435166.db2.gz KHSBKSGZHRQRMR-WMZOPIPTSA-N 1 3 337.508 1.963 20 0 EDADHO O[C@@H](CCC1(O)CCC1)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000905194350 592446888 /nfs/dbraw/zinc/44/68/88/592446888.db2.gz KBPGUZCDZJFBBF-SFHVURJKSA-N 1 3 333.476 1.944 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344771 592500855 /nfs/dbraw/zinc/50/08/55/592500855.db2.gz YTFWULMWLHTNIM-KFWWJZLASA-N 1 3 331.526 1.272 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503254 592546178 /nfs/dbraw/zinc/54/61/78/592546178.db2.gz OESYEJQTWBDUTA-ZKXLYKBJSA-N 1 3 328.497 1.089 20 0 EDADHO CCc1cc(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n2ncnc2n1 ZINC000905700529 592614742 /nfs/dbraw/zinc/61/47/42/592614742.db2.gz OSSRZJCPFKGXHN-IYBDPMFKSA-N 1 3 341.463 1.092 20 0 EDADHO CCc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n2ncnc2n1 ZINC000905700529 592614743 /nfs/dbraw/zinc/61/47/43/592614743.db2.gz OSSRZJCPFKGXHN-IYBDPMFKSA-N 1 3 341.463 1.092 20 0 EDADHO CCc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n2ncnc2n1 ZINC000905700529 592614746 /nfs/dbraw/zinc/61/47/46/592614746.db2.gz OSSRZJCPFKGXHN-IYBDPMFKSA-N 1 3 341.463 1.092 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907575506 592717117 /nfs/dbraw/zinc/71/71/17/592717117.db2.gz SMDUYNUIAGTHQQ-OAHLLOKOSA-N 1 3 325.497 1.555 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907575506 592717119 /nfs/dbraw/zinc/71/71/19/592717119.db2.gz SMDUYNUIAGTHQQ-OAHLLOKOSA-N 1 3 325.497 1.555 20 0 EDADHO CN(C)CCN(C(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1 ZINC000906216546 592760085 /nfs/dbraw/zinc/76/00/85/592760085.db2.gz HNUOYXOISWKWAK-UHFFFAOYSA-N 1 3 341.459 1.557 20 0 EDADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000906435661 592817559 /nfs/dbraw/zinc/81/75/59/592817559.db2.gz UNHCRIXCQOYTAR-UHFFFAOYSA-N 1 3 336.524 1.204 20 0 EDADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000906435661 592817562 /nfs/dbraw/zinc/81/75/62/592817562.db2.gz UNHCRIXCQOYTAR-UHFFFAOYSA-N 1 3 336.524 1.204 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906644088 592865352 /nfs/dbraw/zinc/86/53/52/592865352.db2.gz HLFLITPRWMNUMV-CQSZACIVSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906644088 592865354 /nfs/dbraw/zinc/86/53/54/592865354.db2.gz HLFLITPRWMNUMV-CQSZACIVSA-N 1 3 332.448 1.465 20 0 EDADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911188742 592945478 /nfs/dbraw/zinc/94/54/78/592945478.db2.gz VZVXSIBRQGXUOD-CQSZACIVSA-N 1 3 340.512 1.056 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)c2cccc3c2OCCNC3)cc1 ZINC000911734572 592992450 /nfs/dbraw/zinc/99/24/50/592992450.db2.gz OFBHVSJFEYJTSI-UHFFFAOYSA-N 1 3 325.412 1.600 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OCCN(C)C)cc1 ZINC000911869666 593024470 /nfs/dbraw/zinc/02/44/70/593024470.db2.gz ZMGMOOJHIBEJOX-VGMNTSGFSA-N 1 3 331.460 1.851 20 0 EDADHO C[NH+](C)CCOc1ccc(CCC(=O)N2CCNCC2(C)C)cc1 ZINC000911847763 593025771 /nfs/dbraw/zinc/02/57/71/593025771.db2.gz OQYSLZUDOPYOLB-UHFFFAOYSA-N 1 3 333.476 1.770 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000888379162 593039188 /nfs/dbraw/zinc/03/91/88/593039188.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 1 3 331.464 1.502 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000888379162 593039190 /nfs/dbraw/zinc/03/91/90/593039190.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 1 3 331.464 1.502 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000802406626 593250523 /nfs/dbraw/zinc/25/05/23/593250523.db2.gz XEWGBUPNHCZTGD-KRWDZBQOSA-N 1 3 348.491 1.515 20 0 EDADHO COC1CC[NH+](C2(CNCCC(=O)N(C)OC)CCCC2)CC1 ZINC000819038194 593735052 /nfs/dbraw/zinc/73/50/52/593735052.db2.gz CDPXVTZKTYHPQC-UHFFFAOYSA-N 1 3 327.469 1.410 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1F ZINC000819172856 593742872 /nfs/dbraw/zinc/74/28/72/593742872.db2.gz GNZXOTFYDFRGPT-FGTMMUONSA-N 1 3 340.414 1.966 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000819287522 593748403 /nfs/dbraw/zinc/74/84/03/593748403.db2.gz OMUNKFQWJKGGQE-INIZCTEOSA-N 1 3 325.884 1.989 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC000820100569 593791147 /nfs/dbraw/zinc/79/11/47/593791147.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 1 3 341.455 1.096 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC000820100569 593791148 /nfs/dbraw/zinc/79/11/48/593791148.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 1 3 341.455 1.096 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824546700 594036242 /nfs/dbraw/zinc/03/62/42/594036242.db2.gz KASYHDPJLCOAIV-CQSZACIVSA-N 1 3 343.479 1.543 20 0 EDADHO CC1(C)[C@H](O)CCN1Cc1cncc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973434 594304607 /nfs/dbraw/zinc/30/46/07/594304607.db2.gz FEETXIFGHYMOFB-IAGOWNOFSA-N 1 3 333.476 1.772 20 0 EDADHO CC1(C)[C@H](O)CCN1Cc1cncc(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973434 594304609 /nfs/dbraw/zinc/30/46/09/594304609.db2.gz FEETXIFGHYMOFB-IAGOWNOFSA-N 1 3 333.476 1.772 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC[S@@](C)=O ZINC000828012894 594321769 /nfs/dbraw/zinc/32/17/69/594321769.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 1 3 329.554 1.493 20 0 EDADHO C[C@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000831078244 594550165 /nfs/dbraw/zinc/55/01/65/594550165.db2.gz DCXZLYXXDPUOIP-MOPGFXCFSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)NCCOCC[NH+](C)C)cc(Cl)n1 ZINC000831998675 594717994 /nfs/dbraw/zinc/71/79/94/594717994.db2.gz PFZILGKOCQHVDZ-ZDUSSCGKSA-N 1 3 328.844 1.128 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283752 594947049 /nfs/dbraw/zinc/94/70/49/594947049.db2.gz NHTKQYXZMHAVEF-DLBZAZTESA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790496 594953271 /nfs/dbraw/zinc/95/32/71/594953271.db2.gz YIPDEHFSPLHLME-HOTGVXAUSA-N 1 3 336.480 1.025 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928642 594983734 /nfs/dbraw/zinc/98/37/34/594983734.db2.gz QPKAHIJRIABAAK-MSOLQXFVSA-N 1 3 330.476 1.814 20 0 EDADHO COc1cc(-c2noc(C(C)(C)C[NH3+])n2)ccc1OCCN(C)C ZINC000843201046 595032350 /nfs/dbraw/zinc/03/23/50/595032350.db2.gz NLBSFAMEPLOAER-UHFFFAOYSA-N 1 3 334.420 1.922 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843209241 595036685 /nfs/dbraw/zinc/03/66/85/595036685.db2.gz YLZFFEKVQZGXMJ-UHFFFAOYSA-N 1 3 342.447 1.741 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263554 595057621 /nfs/dbraw/zinc/05/76/21/595057621.db2.gz YEAKREMPLSURLR-HNNXBMFYSA-N 1 3 340.512 1.248 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000843329427 595075851 /nfs/dbraw/zinc/07/58/51/595075851.db2.gz JFTAIVZGXALKFE-ZDUSSCGKSA-N 1 3 341.358 1.516 20 0 EDADHO CCCCOC(=O)CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362979 595087802 /nfs/dbraw/zinc/08/78/02/595087802.db2.gz WASJHOARYJXVRB-JKSUJKDBSA-N 1 3 339.480 1.300 20 0 EDADHO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000843063426 595277521 /nfs/dbraw/zinc/27/75/21/595277521.db2.gz ZVFBXXNMJVHLSL-KRWDZBQOSA-N 1 3 334.464 1.128 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348285 /nfs/dbraw/zinc/34/82/85/595348285.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 1 3 341.496 1.774 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348288 /nfs/dbraw/zinc/34/82/88/595348288.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 1 3 341.496 1.774 20 0 EDADHO O=C1O[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721173 595435790 /nfs/dbraw/zinc/43/57/90/595435790.db2.gz IMYSUHWWFNCOGA-OGWOLHLISA-N 1 3 343.427 1.815 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848894328 595464410 /nfs/dbraw/zinc/46/44/10/595464410.db2.gz CMEDMLWPSMVQOK-XITLMJRVSA-N 1 3 349.475 1.829 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051102 595475385 /nfs/dbraw/zinc/47/53/85/595475385.db2.gz WRVWYTZBEAGIJP-MWTRTKDXSA-N 1 3 336.505 1.663 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068531 595477436 /nfs/dbraw/zinc/47/74/36/595477436.db2.gz NWFJUDRYZYHYSL-HNNXBMFYSA-N 1 3 334.464 1.845 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486333 595547808 /nfs/dbraw/zinc/54/78/08/595547808.db2.gz GMVNWYXRAILDIK-QZTJIDSGSA-N 1 3 347.507 1.444 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852857965 595578974 /nfs/dbraw/zinc/57/89/74/595578974.db2.gz LKJCNGQKMJLYSI-RHSMWYFYSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852857965 595578978 /nfs/dbraw/zinc/57/89/78/595578978.db2.gz LKJCNGQKMJLYSI-RHSMWYFYSA-N 1 3 344.459 1.781 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586526 /nfs/dbraw/zinc/58/65/26/595586526.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586529 /nfs/dbraw/zinc/58/65/29/595586529.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 1 3 335.496 1.300 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588154 /nfs/dbraw/zinc/58/81/54/595588154.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588155 /nfs/dbraw/zinc/58/81/55/595588155.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 1 3 349.523 1.692 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884014 595597681 /nfs/dbraw/zinc/59/76/81/595597681.db2.gz CNJTUNBIFULWOS-HOCLYGCPSA-N 1 3 330.432 1.213 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613615 595597665 /nfs/dbraw/zinc/59/76/65/595597665.db2.gz UKTGIIIDEXRWFE-SQNIBIBYSA-N 1 3 347.507 1.444 20 0 EDADHO CN(CCCNCc1ncc(C2OCCO2)s1)CC[NH+](C)C ZINC000857784092 595611350 /nfs/dbraw/zinc/61/13/50/595611350.db2.gz PXVYUOHOGRAZAD-UHFFFAOYSA-N 1 3 328.482 1.162 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCCCC1 ZINC000853466222 595759290 /nfs/dbraw/zinc/75/92/90/595759290.db2.gz WRJLNDDIXPSZAZ-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCCCC1 ZINC000853466222 595759292 /nfs/dbraw/zinc/75/92/92/595759292.db2.gz WRJLNDDIXPSZAZ-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231947 596009370 /nfs/dbraw/zinc/00/93/70/596009370.db2.gz PRRRBIFLVUDQRX-JQFCIGGWSA-N 1 3 332.448 1.448 20 0 EDADHO COc1cnc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000861577771 596034362 /nfs/dbraw/zinc/03/43/62/596034362.db2.gz VTPWOGGMHDBQTL-LBPRGKRZSA-N 1 3 341.431 1.623 20 0 EDADHO COc1cnc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000861577771 596034364 /nfs/dbraw/zinc/03/43/64/596034364.db2.gz VTPWOGGMHDBQTL-LBPRGKRZSA-N 1 3 341.431 1.623 20 0 EDADHO C[N@@H+]1CC[C@](O)(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325979 596301797 /nfs/dbraw/zinc/30/17/97/596301797.db2.gz IBGSRNCGRBQVTF-DOMZBBRYSA-N 1 3 349.422 1.287 20 0 EDADHO C[N@H+]1CC[C@](O)(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325979 596301800 /nfs/dbraw/zinc/30/18/00/596301800.db2.gz IBGSRNCGRBQVTF-DOMZBBRYSA-N 1 3 349.422 1.287 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000866785194 596344729 /nfs/dbraw/zinc/34/47/29/596344729.db2.gz SLENSDWDIDCRNI-OAHLLOKOSA-N 1 3 339.505 1.805 20 0 EDADHO C[C@@H]1C[C@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123390622 596396486 /nfs/dbraw/zinc/39/64/86/596396486.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 1 3 325.478 1.291 20 0 EDADHO C[C@@H]1C[C@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123390622 596396489 /nfs/dbraw/zinc/39/64/89/596396489.db2.gz VTXCOHDTDGVTJT-UKRRQHHQSA-N 1 3 325.478 1.291 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000863642050 596640779 /nfs/dbraw/zinc/64/07/79/596640779.db2.gz IOWLYVIPPXVSFP-DLBZAZTESA-N 1 3 341.415 1.320 20 0 EDADHO CN1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCC1(C)C ZINC000868167561 596708248 /nfs/dbraw/zinc/70/82/48/596708248.db2.gz RZIQXOUIMPMXHA-CQSZACIVSA-N 1 3 331.464 1.846 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185848 596715313 /nfs/dbraw/zinc/71/53/13/596715313.db2.gz GWIAQLSRWXZUOV-YESZJQIVSA-N 1 3 332.448 1.734 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CNCCC3(F)F)cn2)CC1 ZINC000868190042 596716816 /nfs/dbraw/zinc/71/68/16/596716816.db2.gz HXOGEQGPUUBLPQ-ZDUSSCGKSA-N 1 3 342.394 1.269 20 0 EDADHO C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CCN(C)CC1 ZINC000868239680 596741083 /nfs/dbraw/zinc/74/10/83/596741083.db2.gz XDMHYWHODWCPIE-AFAVFJNCSA-N 1 3 342.443 1.206 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156474 596815797 /nfs/dbraw/zinc/81/57/97/596815797.db2.gz KBRJHJPVZTWPGN-WBVHZDCISA-N 1 3 345.553 1.935 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000874431272 597075030 /nfs/dbraw/zinc/07/50/30/597075030.db2.gz LSBXCNPATWNTMI-LESCRADOSA-N 1 3 346.475 1.869 20 0 EDADHO CN(C)CCn1cc(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873309816 597252945 /nfs/dbraw/zinc/25/29/45/597252945.db2.gz FTUZWAFZXITWBC-MRXNPFEDSA-N 1 3 348.495 1.879 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000875240825 597348408 /nfs/dbraw/zinc/34/84/08/597348408.db2.gz SKANMOYKBXEZSG-HNNXBMFYSA-N 1 3 340.512 1.469 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876875889 597365678 /nfs/dbraw/zinc/36/56/78/597365678.db2.gz DIBPSXGWHHWEEV-ZWKOTPCHSA-N 1 3 335.467 1.957 20 0 EDADHO CCOC(=O)N1CCC(C)(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000876966125 597400140 /nfs/dbraw/zinc/40/01/40/597400140.db2.gz NONYFMWDNJPEGA-HNNXBMFYSA-N 1 3 327.469 1.291 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875407826 597416075 /nfs/dbraw/zinc/41/60/75/597416075.db2.gz ONCMQYVGURHLOG-GPANFISMSA-N 1 3 340.512 1.251 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCN(C)C(C)(C)CC1 ZINC000877206313 597461596 /nfs/dbraw/zinc/46/15/96/597461596.db2.gz GLDSPGWOWJCPCW-OAHLLOKOSA-N 1 3 333.480 1.672 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000877391139 597507899 /nfs/dbraw/zinc/50/78/99/597507899.db2.gz NIXIPCREERNQLA-ICSRJNTNSA-N 1 3 342.487 1.843 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CC2(O)CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000878324348 597595418 /nfs/dbraw/zinc/59/54/18/597595418.db2.gz LLKSQUVBIOGGJC-FGTMMUONSA-N 1 3 339.524 1.000 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000883450051 597752317 /nfs/dbraw/zinc/75/23/17/597752317.db2.gz ZKCJEVOOTQUNRW-MSOLQXFVSA-N 1 3 332.492 1.479 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000879125071 597827050 /nfs/dbraw/zinc/82/70/50/597827050.db2.gz NXDKVPAHWBZFKS-KRWDZBQOSA-N 1 3 325.497 1.676 20 0 EDADHO COCCN(Cc1cc(=O)n2ccccc2n1)CC1CC[NH+](C)CC1 ZINC000879126157 597827442 /nfs/dbraw/zinc/82/74/42/597827442.db2.gz UQGKIEMDZWIOKT-UHFFFAOYSA-N 1 3 344.459 1.485 20 0 EDADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186041 598018566 /nfs/dbraw/zinc/01/85/66/598018566.db2.gz OPIJNPSBKVPGEF-CRAIPNDOSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186041 598018568 /nfs/dbraw/zinc/01/85/68/598018568.db2.gz OPIJNPSBKVPGEF-CRAIPNDOSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000884198127 598024668 /nfs/dbraw/zinc/02/46/68/598024668.db2.gz NTDHUPAYTPRKKH-ROUUACIJSA-N 1 3 333.476 1.940 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3C[C@@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365403 598082369 /nfs/dbraw/zinc/08/23/69/598082369.db2.gz INXIVAHXQLXKKX-HUUCEWRRSA-N 1 3 345.447 1.159 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)c1 ZINC000992925648 695457127 /nfs/dbraw/zinc/45/71/27/695457127.db2.gz LACAYHWDDGDUIX-GBESFXJTSA-N 1 3 345.487 1.571 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915723455 695978214 /nfs/dbraw/zinc/97/82/14/695978214.db2.gz BFLQJAZICQMWMB-CVEARBPZSA-N 1 3 331.526 1.512 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915723455 695978215 /nfs/dbraw/zinc/97/82/15/695978215.db2.gz BFLQJAZICQMWMB-CVEARBPZSA-N 1 3 331.526 1.512 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCCN1CCO ZINC000993628548 696292034 /nfs/dbraw/zinc/29/20/34/696292034.db2.gz HSCHUBDQZQRUGK-YJBOKZPZSA-N 1 3 333.476 1.366 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCCN1CCCO ZINC000993987055 696482779 /nfs/dbraw/zinc/48/27/79/696482779.db2.gz LLJLUFRLTZDGBN-CRAIPNDOSA-N 1 3 333.476 1.713 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000918009483 697119772 /nfs/dbraw/zinc/11/97/72/697119772.db2.gz FRXDVJZKIIDJMB-HOTGVXAUSA-N 1 3 329.510 1.124 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000918009483 697119774 /nfs/dbraw/zinc/11/97/74/697119774.db2.gz FRXDVJZKIIDJMB-HOTGVXAUSA-N 1 3 329.510 1.124 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674632 697483425 /nfs/dbraw/zinc/48/34/25/697483425.db2.gz NAYYDZSUDYGMMS-KRWDZBQOSA-N 1 3 333.501 1.680 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000921186016 697526465 /nfs/dbraw/zinc/52/64/65/697526465.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000921186016 697526467 /nfs/dbraw/zinc/52/64/67/697526467.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054364 699114904 /nfs/dbraw/zinc/11/49/04/699114904.db2.gz IJWRELVSDAMONB-GUYCJALGSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1cc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166147 701620025 /nfs/dbraw/zinc/62/00/25/701620025.db2.gz GFTRSCXHLQHZTE-CABCVRRESA-N 1 3 332.448 1.453 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000940154456 700284589 /nfs/dbraw/zinc/28/45/89/700284589.db2.gz YDYHHXFFFLEBQR-OXJNMPFZSA-N 1 3 349.519 1.868 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC000995064989 700486073 /nfs/dbraw/zinc/48/60/73/700486073.db2.gz JJYFDUDMVUCELK-TZMCWYRMSA-N 1 3 347.419 1.413 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000940327952 700505176 /nfs/dbraw/zinc/50/51/76/700505176.db2.gz ARFJBPRBMIXKPJ-NVXWUHKLSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000940327952 700505179 /nfs/dbraw/zinc/50/51/79/700505179.db2.gz ARFJBPRBMIXKPJ-NVXWUHKLSA-N 1 3 347.507 1.571 20 0 EDADHO CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)CN2CCCC2)CC1 ZINC000940461640 700664864 /nfs/dbraw/zinc/66/48/64/700664864.db2.gz GONAOJZVPPDJDM-LPHOPBHVSA-N 1 3 335.492 1.480 20 0 EDADHO CCn1ccc(CNC[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082810 700726983 /nfs/dbraw/zinc/72/69/83/700726983.db2.gz ZTRAPSQKFRWGRA-NVXWUHKLSA-N 1 3 347.507 1.619 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCCC1 ZINC000940746855 700872912 /nfs/dbraw/zinc/87/29/12/700872912.db2.gz CIHZAVCNXHZMQP-INIZCTEOSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCCC1 ZINC000940746855 700872914 /nfs/dbraw/zinc/87/29/14/700872914.db2.gz CIHZAVCNXHZMQP-INIZCTEOSA-N 1 3 339.524 1.850 20 0 EDADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074341 701101266 /nfs/dbraw/zinc/10/12/66/701101266.db2.gz BQSVSRQIONGABI-IRXDYDNUSA-N 1 3 339.524 1.850 20 0 EDADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074341 701101269 /nfs/dbraw/zinc/10/12/69/701101269.db2.gz BQSVSRQIONGABI-IRXDYDNUSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076288 701103867 /nfs/dbraw/zinc/10/38/67/701103867.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076288 701103869 /nfs/dbraw/zinc/10/38/69/701103869.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408795 701521421 /nfs/dbraw/zinc/52/14/21/701521421.db2.gz UTMGMHJVJAFTCR-LJQANCHMSA-N 1 3 348.535 1.203 20 0 EDADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000941437005 701540267 /nfs/dbraw/zinc/54/02/67/701540267.db2.gz NZHJHXCZMBFCLJ-MAUKXSAKSA-N 1 3 336.524 1.201 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438505 701540978 /nfs/dbraw/zinc/54/09/78/701540978.db2.gz ZRNHYHLZBIOHSO-GOSISDBHSA-N 1 3 336.524 1.201 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C ZINC000944442570 702024366 /nfs/dbraw/zinc/02/43/66/702024366.db2.gz DOVVTIOUXXMUKJ-CZUORRHYSA-N 1 3 334.464 1.514 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C ZINC000944442570 702024370 /nfs/dbraw/zinc/02/43/70/702024370.db2.gz DOVVTIOUXXMUKJ-CZUORRHYSA-N 1 3 334.464 1.514 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825940 702098901 /nfs/dbraw/zinc/09/89/01/702098901.db2.gz UNFNBFNCFKZGNA-SJORKVTESA-N 1 3 345.491 1.089 20 0 EDADHO Cc1nc(CN[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)n[nH]1 ZINC000995913331 702272095 /nfs/dbraw/zinc/27/20/95/702272095.db2.gz IIWFVQGFTXWIAY-GJZGRUSLSA-N 1 3 348.495 1.314 20 0 EDADHO Cc1nc(CN[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)n[nH]1 ZINC000995913331 702272101 /nfs/dbraw/zinc/27/21/01/702272101.db2.gz IIWFVQGFTXWIAY-GJZGRUSLSA-N 1 3 348.495 1.314 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293100 702685418 /nfs/dbraw/zinc/68/54/18/702685418.db2.gz BICJPBYRPGRSQG-HOTGVXAUSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300282 702691760 /nfs/dbraw/zinc/69/17/60/702691760.db2.gz LEWSBTGWKJQOPQ-ZBFHGGJFSA-N 1 3 333.480 1.231 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302231 702694419 /nfs/dbraw/zinc/69/44/19/702694419.db2.gz XGTITCQZNDOWJJ-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000996354470 702732429 /nfs/dbraw/zinc/73/24/29/702732429.db2.gz ILTJJCYZBWOFJW-DLBZAZTESA-N 1 3 348.491 1.720 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996464277 702791711 /nfs/dbraw/zinc/79/17/11/702791711.db2.gz MARKGYDAUXVGTN-KRWDZBQOSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996464277 702791714 /nfs/dbraw/zinc/79/17/14/702791714.db2.gz MARKGYDAUXVGTN-KRWDZBQOSA-N 1 3 333.480 1.374 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996501083 702839986 /nfs/dbraw/zinc/83/99/86/702839986.db2.gz JXMBSCFUSDWQLI-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996501083 702839990 /nfs/dbraw/zinc/83/99/90/702839990.db2.gz JXMBSCFUSDWQLI-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518599 702854057 /nfs/dbraw/zinc/85/40/57/702854057.db2.gz LXLGVSYJCFZKAA-DOTOQJQBSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518599 702854058 /nfs/dbraw/zinc/85/40/58/702854058.db2.gz LXLGVSYJCFZKAA-DOTOQJQBSA-N 1 3 347.507 1.397 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519642 702855351 /nfs/dbraw/zinc/85/53/51/702855351.db2.gz PKPOCYAXZRZPKM-UKRRQHHQSA-N 1 3 336.505 1.812 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519642 702855355 /nfs/dbraw/zinc/85/53/55/702855355.db2.gz PKPOCYAXZRZPKM-UKRRQHHQSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000996559854 702878278 /nfs/dbraw/zinc/87/82/78/702878278.db2.gz GDAHVYZZLGFSIV-GOSISDBHSA-N 1 3 343.475 1.207 20 0 EDADHO CCc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996605173 702914421 /nfs/dbraw/zinc/91/44/21/702914421.db2.gz BLZVUWZYNIWGGQ-GZBFAFLISA-N 1 3 348.495 1.349 20 0 EDADHO CCc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996605173 702914423 /nfs/dbraw/zinc/91/44/23/702914423.db2.gz BLZVUWZYNIWGGQ-GZBFAFLISA-N 1 3 348.495 1.349 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617327 702924096 /nfs/dbraw/zinc/92/40/96/702924096.db2.gz AIRKAXYVPPYBGC-ZWKOTPCHSA-N 1 3 344.459 1.025 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cn1 ZINC000996675045 702974140 /nfs/dbraw/zinc/97/41/40/702974140.db2.gz DYNJMSNCIBDDEL-KRWDZBQOSA-N 1 3 331.464 1.206 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000996680713 702978716 /nfs/dbraw/zinc/97/87/16/702978716.db2.gz UIEGGZRYGNPDNE-QGZVFWFLSA-N 1 3 334.439 1.642 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001060769584 703096359 /nfs/dbraw/zinc/09/63/59/703096359.db2.gz QMLYBPQEXLAQGC-SHTZXODSSA-N 1 3 349.479 1.004 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006419 703263431 /nfs/dbraw/zinc/26/34/31/703263431.db2.gz MAHQCHHFRUWISR-AWEZNQCLSA-N 1 3 334.439 1.643 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000997007922 703265246 /nfs/dbraw/zinc/26/52/46/703265246.db2.gz RTNAKNAQSPWHKR-MRXNPFEDSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997013228 703272809 /nfs/dbraw/zinc/27/28/09/703272809.db2.gz ZDQIIAGKDNPYRX-SMDDNHRTSA-N 1 3 337.493 1.125 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997013228 703272811 /nfs/dbraw/zinc/27/28/11/703272811.db2.gz ZDQIIAGKDNPYRX-SMDDNHRTSA-N 1 3 337.493 1.125 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2scnc2C)CC1)N(C)C ZINC000997015909 703274793 /nfs/dbraw/zinc/27/47/93/703274793.db2.gz RQLFNKMRPALHCC-HNNXBMFYSA-N 1 3 338.521 1.915 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997116368 703370114 /nfs/dbraw/zinc/37/01/14/703370114.db2.gz XJSIRGPFJYIDHZ-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361617 703595761 /nfs/dbraw/zinc/59/57/61/703595761.db2.gz WZCRHAWTVGPKLF-IYBDPMFKSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361617 703595763 /nfs/dbraw/zinc/59/57/63/703595763.db2.gz WZCRHAWTVGPKLF-IYBDPMFKSA-N 1 3 345.491 1.738 20 0 EDADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2ccncc2)n1 ZINC001032514212 703906998 /nfs/dbraw/zinc/90/69/98/703906998.db2.gz MXUOPPGUVXMKGP-KBMXLJTQSA-N 1 3 343.406 1.914 20 0 EDADHO C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2ccncc2)n1 ZINC001032514212 703906999 /nfs/dbraw/zinc/90/69/99/703906999.db2.gz MXUOPPGUVXMKGP-KBMXLJTQSA-N 1 3 343.406 1.914 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997612721 703910037 /nfs/dbraw/zinc/91/00/37/703910037.db2.gz IHVOQNLWLUSTAZ-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000997612688 703910198 /nfs/dbraw/zinc/91/01/98/703910198.db2.gz KFHJVXLKHRMTGU-MRXNPFEDSA-N 1 3 334.464 1.714 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)CCC1 ZINC000997822633 704742554 /nfs/dbraw/zinc/74/25/54/704742554.db2.gz FWIWALJXNGJRHQ-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)O1 ZINC000997830306 704749106 /nfs/dbraw/zinc/74/91/06/704749106.db2.gz HNLNCVYCFFLPIO-YJBOKZPZSA-N 1 3 337.508 1.866 20 0 EDADHO CCn1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)n1 ZINC000997830997 704751301 /nfs/dbraw/zinc/75/13/01/704751301.db2.gz NXYFUPXOOAQASP-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997866560 704773108 /nfs/dbraw/zinc/77/31/08/704773108.db2.gz LDNFXCNITWJJCU-YOEHRIQHSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997866560 704773110 /nfs/dbraw/zinc/77/31/10/704773110.db2.gz LDNFXCNITWJJCU-YOEHRIQHSA-N 1 3 347.507 1.397 20 0 EDADHO CO[C@@H](CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001032603124 705415386 /nfs/dbraw/zinc/41/53/86/705415386.db2.gz PWZMHGZMQLWSRN-BZSNNMDCSA-N 1 3 335.492 1.428 20 0 EDADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998217665 705540627 /nfs/dbraw/zinc/54/06/27/705540627.db2.gz PYHVOICVEGNMKF-CJNGLKHVSA-N 1 3 348.495 1.344 20 0 EDADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998217665 705540631 /nfs/dbraw/zinc/54/06/31/705540631.db2.gz PYHVOICVEGNMKF-CJNGLKHVSA-N 1 3 348.495 1.344 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(CNCc3cc4n(n3)CCC4)CC2)C1 ZINC000998265262 705632392 /nfs/dbraw/zinc/63/23/92/705632392.db2.gz KDUCBZPRCQRMFV-MRXNPFEDSA-N 1 3 345.491 1.109 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(CNCc3cc4n(n3)CCC4)CC2)C1 ZINC000998265262 705632394 /nfs/dbraw/zinc/63/23/94/705632394.db2.gz KDUCBZPRCQRMFV-MRXNPFEDSA-N 1 3 345.491 1.109 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000998266793 705635700 /nfs/dbraw/zinc/63/57/00/705635700.db2.gz REKQCTGDMIDJLI-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000998266793 705635703 /nfs/dbraw/zinc/63/57/03/705635703.db2.gz REKQCTGDMIDJLI-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO CCc1nc(C)c(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267695 705638758 /nfs/dbraw/zinc/63/87/58/705638758.db2.gz ZDPXMPVWMYTANB-INIZCTEOSA-N 1 3 348.491 1.825 20 0 EDADHO CCc1nc(C)c(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998267695 705638762 /nfs/dbraw/zinc/63/87/62/705638762.db2.gz ZDPXMPVWMYTANB-INIZCTEOSA-N 1 3 348.491 1.825 20 0 EDADHO COc1ncccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998270691 705649179 /nfs/dbraw/zinc/64/91/79/705649179.db2.gz XZENYXILCLWZAA-UHFFFAOYSA-N 1 3 346.475 1.514 20 0 EDADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745876 /nfs/dbraw/zinc/74/58/76/705745876.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 1 3 335.492 1.430 20 0 EDADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745879 /nfs/dbraw/zinc/74/58/79/705745879.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 1 3 335.492 1.430 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548337 705984105 /nfs/dbraw/zinc/98/41/05/705984105.db2.gz GNFBINXBXVMDGR-YMAMQOFZSA-N 1 3 336.867 1.908 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998780522 706221639 /nfs/dbraw/zinc/22/16/39/706221639.db2.gz NYDVDFHXLCOMEP-OFLPRAFFSA-N 1 3 332.448 1.404 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999144741 706558626 /nfs/dbraw/zinc/55/86/26/706558626.db2.gz NIWVFXNIMPMPOO-DOTOQJQBSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999144741 706558628 /nfs/dbraw/zinc/55/86/28/706558628.db2.gz NIWVFXNIMPMPOO-DOTOQJQBSA-N 1 3 333.480 1.374 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399517 706894404 /nfs/dbraw/zinc/89/44/04/706894404.db2.gz HVUAGAAFVOBBRY-CVEARBPZSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399517 706894406 /nfs/dbraw/zinc/89/44/06/706894406.db2.gz HVUAGAAFVOBBRY-CVEARBPZSA-N 1 3 333.480 1.375 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC000999434609 706942055 /nfs/dbraw/zinc/94/20/55/706942055.db2.gz PBJKDQDSMUCSSF-ROUUACIJSA-N 1 3 339.524 1.970 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)n[nH]1 ZINC000999489202 707025288 /nfs/dbraw/zinc/02/52/88/707025288.db2.gz IPHPGZKPPLLLBH-HNNXBMFYSA-N 1 3 346.479 1.070 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]C[C@H]3CCCCO3)C2)CC1 ZINC000999602369 707104209 /nfs/dbraw/zinc/10/42/09/707104209.db2.gz SXTDPUKFCGMMMM-DAWZGUTISA-N 1 3 337.508 1.866 20 0 EDADHO Cn1ccc(CN[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC000999617975 707137432 /nfs/dbraw/zinc/13/74/32/707137432.db2.gz FBSBYTGBQADDTH-MRXNPFEDSA-N 1 3 338.415 1.462 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]3CC2)C1 ZINC000946779787 707246734 /nfs/dbraw/zinc/24/67/34/707246734.db2.gz SWQBQNMQKKNCAP-YESZJQIVSA-N 1 3 325.472 1.858 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]3CC2)C1 ZINC000946779787 707246737 /nfs/dbraw/zinc/24/67/37/707246737.db2.gz SWQBQNMQKKNCAP-YESZJQIVSA-N 1 3 325.472 1.858 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276666 707340843 /nfs/dbraw/zinc/34/08/43/707340843.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276666 707340847 /nfs/dbraw/zinc/34/08/47/707340847.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 1 3 349.519 1.819 20 0 EDADHO Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834127 707466707 /nfs/dbraw/zinc/46/67/07/707466707.db2.gz SFCSCUDAIHOLGE-UHFFFAOYSA-N 1 3 336.505 1.935 20 0 EDADHO C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942851 707689835 /nfs/dbraw/zinc/68/98/35/707689835.db2.gz BGHUHDFXAOPGCA-YOEHRIQHSA-N 1 3 334.464 1.738 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001000200136 707842728 /nfs/dbraw/zinc/84/27/28/707842728.db2.gz PKAAGYGHIXYGBN-SJORKVTESA-N 1 3 337.508 1.726 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001005183628 708134048 /nfs/dbraw/zinc/13/40/48/708134048.db2.gz JKYMYSHFDNKZKI-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001033592370 708290698 /nfs/dbraw/zinc/29/06/98/708290698.db2.gz GBBBRJPONNZYDO-JKSUJKDBSA-N 1 3 335.492 1.430 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033594993 708298017 /nfs/dbraw/zinc/29/80/17/708298017.db2.gz SZQQTKJACNXPLZ-SFHVURJKSA-N 1 3 343.471 1.307 20 0 EDADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001833977 708360346 /nfs/dbraw/zinc/36/03/46/708360346.db2.gz NEYRUEJQJNUXJZ-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001833977 708360350 /nfs/dbraw/zinc/36/03/50/708360350.db2.gz NEYRUEJQJNUXJZ-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033983802 709193118 /nfs/dbraw/zinc/19/31/18/709193118.db2.gz YHZGOMALUGNMFL-SFHVURJKSA-N 1 3 347.507 1.947 20 0 EDADHO CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1)OC ZINC001002793668 709401948 /nfs/dbraw/zinc/40/19/48/709401948.db2.gz ZBPNVKOFGNJMLN-IAGOWNOFSA-N 1 3 325.497 1.865 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832466 709698437 /nfs/dbraw/zinc/69/84/37/709698437.db2.gz CCGTVVHOGKDQTC-BPQIPLTHSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832466 709698439 /nfs/dbraw/zinc/69/84/39/709698439.db2.gz CCGTVVHOGKDQTC-BPQIPLTHSA-N 1 3 331.460 1.252 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321555 709771697 /nfs/dbraw/zinc/77/16/97/709771697.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321555 709771701 /nfs/dbraw/zinc/77/17/01/709771701.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 1 3 347.503 1.620 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439651 710015560 /nfs/dbraw/zinc/01/55/60/710015560.db2.gz WNMREMJTEGCQQR-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439651 710015561 /nfs/dbraw/zinc/01/55/61/710015561.db2.gz WNMREMJTEGCQQR-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001034439651 710015562 /nfs/dbraw/zinc/01/55/62/710015562.db2.gz WNMREMJTEGCQQR-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001034439211 710015823 /nfs/dbraw/zinc/01/58/23/710015823.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 1 3 325.497 1.866 20 0 EDADHO COCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001034439211 710015828 /nfs/dbraw/zinc/01/58/28/710015828.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 1 3 325.497 1.866 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636113 710463075 /nfs/dbraw/zinc/46/30/75/710463075.db2.gz SNPJUTZQTPWLMF-KSSFIOAISA-N 1 3 347.507 1.278 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636113 710463077 /nfs/dbraw/zinc/46/30/77/710463077.db2.gz SNPJUTZQTPWLMF-KSSFIOAISA-N 1 3 347.507 1.278 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC001034720171 710886583 /nfs/dbraw/zinc/88/65/83/710886583.db2.gz ABLHYBCRAKXMDE-DJIMGWMZSA-N 1 3 345.491 1.896 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC001034734730 710917094 /nfs/dbraw/zinc/91/70/94/710917094.db2.gz WOXZYZVOKGRGGK-SZMVWBNQSA-N 1 3 347.507 1.321 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034734740 710917169 /nfs/dbraw/zinc/91/71/69/710917169.db2.gz WZJBJUZTRSSWKK-XLAORIBOSA-N 1 3 337.508 1.914 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734658 710917473 /nfs/dbraw/zinc/91/74/73/710917473.db2.gz URYPVRGVYVUMIA-MHORFTMASA-N 1 3 337.508 1.772 20 0 EDADHO CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)n1 ZINC001034734789 710917766 /nfs/dbraw/zinc/91/77/66/710917766.db2.gz YXRXTGLKMAJRBW-BRWVUGGUSA-N 1 3 347.507 1.762 20 0 EDADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)n1 ZINC001034883115 711285012 /nfs/dbraw/zinc/28/50/12/711285012.db2.gz LUSDHTFZUQCWKZ-QZTJIDSGSA-N 1 3 330.476 1.873 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387764 711427982 /nfs/dbraw/zinc/42/79/82/711427982.db2.gz MWHLYIPLUNKXBG-OQIJWPOYSA-N 1 3 328.460 1.904 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387764 711427985 /nfs/dbraw/zinc/42/79/85/711427985.db2.gz MWHLYIPLUNKXBG-OQIJWPOYSA-N 1 3 328.460 1.904 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582353 712015263 /nfs/dbraw/zinc/01/52/63/712015263.db2.gz VGIWIZBIMRVISZ-YOEHRIQHSA-N 1 3 334.464 1.690 20 0 EDADHO CO[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582353 712015264 /nfs/dbraw/zinc/01/52/64/712015264.db2.gz VGIWIZBIMRVISZ-YOEHRIQHSA-N 1 3 334.464 1.690 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000237186934 282111181 /nfs/dbraw/zinc/11/11/81/282111181.db2.gz HRRQQIGPRLACJV-SFHVURJKSA-N 1 3 341.455 1.986 20 0 EDADHO [NH3+][C@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000561159748 306283310 /nfs/dbraw/zinc/28/33/10/306283310.db2.gz ZAVZWHCDQPYWKA-OAHLLOKOSA-N 1 3 340.537 1.775 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC[NH2+]CC1 ZINC000561202761 306284571 /nfs/dbraw/zinc/28/45/71/306284571.db2.gz BSOOWGIILQNQKZ-SFHVURJKSA-N 1 3 346.475 1.282 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440989989 305215795 /nfs/dbraw/zinc/21/57/95/305215795.db2.gz UXWDSFBCWKRDBA-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000361906383 540003343 /nfs/dbraw/zinc/00/33/43/540003343.db2.gz KUKCRCCOPFIWLR-OAHLLOKOSA-N 1 3 348.491 1.842 20 0 EDADHO CCC[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000412782797 304037170 /nfs/dbraw/zinc/03/71/70/304037170.db2.gz XNSRTHMEEMPQAQ-SFHVURJKSA-N 1 3 347.503 1.860 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](C1CC1)N1CCCC1 ZINC000124262996 138325513 /nfs/dbraw/zinc/32/55/13/138325513.db2.gz ISBAAFPKLBYUMG-QAPCUYQASA-N 1 3 335.492 1.478 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321453 306358176 /nfs/dbraw/zinc/35/81/76/306358176.db2.gz KZFGMBKIUOUPND-CABCVRRESA-N 1 3 336.432 1.477 20 0 EDADHO CCN1CC[C@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000413846374 304080657 /nfs/dbraw/zinc/08/06/57/304080657.db2.gz TYZPRZBAXQZSNV-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644816 306361657 /nfs/dbraw/zinc/36/16/57/306361657.db2.gz LUPHSTQMIUDXJI-JKSUJKDBSA-N 1 3 326.510 1.209 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000564716674 306363466 /nfs/dbraw/zinc/36/34/66/306363466.db2.gz QUOPSFAUBZEUAZ-FHWLQOOXSA-N 1 3 345.487 1.564 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2ccccc2CC[NH3+])C[C@@H](C)O1 ZINC000565152259 306376230 /nfs/dbraw/zinc/37/62/30/306376230.db2.gz ZGOKIFZBCRFABF-HZPDHXFCSA-N 1 3 333.476 1.807 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000417741054 296029024 /nfs/dbraw/zinc/02/90/24/296029024.db2.gz SUMAKXBVGKXSCI-PBHICJAKSA-N 1 3 330.476 1.464 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000414693627 304128607 /nfs/dbraw/zinc/12/86/07/304128607.db2.gz CNYISYSUYYSVKL-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000414710828 304131214 /nfs/dbraw/zinc/13/12/14/304131214.db2.gz SQIBQAIHGDSFHD-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)N1CCCC1 ZINC000414740468 304135743 /nfs/dbraw/zinc/13/57/43/304135743.db2.gz RDKPFSIUWDCODU-RHSMWYFYSA-N 1 3 346.475 1.881 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357867510 296109520 /nfs/dbraw/zinc/10/95/20/296109520.db2.gz VNESAXPLPHNZFQ-QGZVFWFLSA-N 1 3 335.492 1.622 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000414759086 304137884 /nfs/dbraw/zinc/13/78/84/304137884.db2.gz ZNWNRDFHSBKNAD-HNNXBMFYSA-N 1 3 333.480 1.996 20 0 EDADHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797335 304141588 /nfs/dbraw/zinc/14/15/88/304141588.db2.gz INKPMRODQQNYRJ-DGCLKSJQSA-N 1 3 341.839 1.430 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000414830407 304145718 /nfs/dbraw/zinc/14/57/18/304145718.db2.gz AZEYYCGGIBTUNR-ZBFHGGJFSA-N 1 3 341.496 1.530 20 0 EDADHO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000415095986 304159407 /nfs/dbraw/zinc/15/94/07/304159407.db2.gz AGGCAKLNXGYSAL-INIZCTEOSA-N 1 3 345.487 1.818 20 0 EDADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143548 304164447 /nfs/dbraw/zinc/16/44/47/304164447.db2.gz AZQZYEFBIOBSJB-HOTGVXAUSA-N 1 3 344.459 1.430 20 0 EDADHO CCN(C(=O)CNCCOC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033959 139038603 /nfs/dbraw/zinc/03/86/03/139038603.db2.gz NJOVKQRLUOZKLQ-FUHWJXTLSA-N 1 3 333.476 1.906 20 0 EDADHO CCN(C(=O)CNCCOC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033959 139038604 /nfs/dbraw/zinc/03/86/04/139038604.db2.gz NJOVKQRLUOZKLQ-FUHWJXTLSA-N 1 3 333.476 1.906 20 0 EDADHO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000127461755 205101859 /nfs/dbraw/zinc/10/18/59/205101859.db2.gz AONPGJGXEBZBOH-ZWKOTPCHSA-N 1 3 348.535 1.914 20 0 EDADHO CCC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000245804343 139086633 /nfs/dbraw/zinc/08/66/33/139086633.db2.gz PTKFUBGKKCGHKS-GVDBMIGSSA-N 1 3 325.497 1.601 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158813669 206210930 /nfs/dbraw/zinc/21/09/30/206210930.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 1 3 346.519 1.679 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158813669 206210933 /nfs/dbraw/zinc/21/09/33/206210933.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 1 3 346.519 1.679 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247969990 139156381 /nfs/dbraw/zinc/15/63/81/139156381.db2.gz IWZGTVVVADOEAQ-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247969990 139156382 /nfs/dbraw/zinc/15/63/82/139156382.db2.gz IWZGTVVVADOEAQ-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247969990 139156383 /nfs/dbraw/zinc/15/63/83/139156383.db2.gz IWZGTVVVADOEAQ-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247969990 139156384 /nfs/dbraw/zinc/15/63/84/139156384.db2.gz IWZGTVVVADOEAQ-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972063 139156658 /nfs/dbraw/zinc/15/66/58/139156658.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247972063 139156659 /nfs/dbraw/zinc/15/66/59/139156659.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247972063 139156660 /nfs/dbraw/zinc/15/66/60/139156660.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000247972063 139156661 /nfs/dbraw/zinc/15/66/61/139156661.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 1 3 348.487 1.989 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825989 139229404 /nfs/dbraw/zinc/22/94/04/139229404.db2.gz MUWOYDANEQBZIS-BBWFWOEESA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262044840 139246272 /nfs/dbraw/zinc/24/62/72/139246272.db2.gz YYUSSUMHCPFQFT-AQNXPRMDSA-N 1 3 347.503 1.874 20 0 EDADHO FC(F)COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262083904 139249630 /nfs/dbraw/zinc/24/96/30/139249630.db2.gz FQNIPOZMMGHJPT-OAHLLOKOSA-N 1 3 325.403 1.810 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2)CC1 ZINC000174236523 207001610 /nfs/dbraw/zinc/00/16/10/207001610.db2.gz LPTQJPSOSOMVLU-UHFFFAOYSA-N 1 3 332.492 1.946 20 0 EDADHO Cc1ccc(OCC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000262116285 139252261 /nfs/dbraw/zinc/25/22/61/139252261.db2.gz BLJLBDALAQTYFY-UHFFFAOYSA-N 1 3 331.460 1.518 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415572954 304228838 /nfs/dbraw/zinc/22/88/38/304228838.db2.gz VAJSKTBOBAITJB-UKRRQHHQSA-N 1 3 332.448 1.191 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000417011952 251131274 /nfs/dbraw/zinc/13/12/74/251131274.db2.gz UOFFPTNLOMJJDF-ILXRZTDVSA-N 1 3 340.493 1.105 20 0 EDADHO COc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccc1OCCN(C)C ZINC000262349588 139272248 /nfs/dbraw/zinc/27/22/48/139272248.db2.gz HDLGGQNAAKYSMS-HOCLYGCPSA-N 1 3 349.475 1.640 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417318036 251158053 /nfs/dbraw/zinc/15/80/53/251158053.db2.gz XXBCHMRRLWQWMF-HRCADAONSA-N 1 3 326.485 1.255 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567533 251190851 /nfs/dbraw/zinc/19/08/51/251190851.db2.gz NWISUJHRHXQKSF-KRWDZBQOSA-N 1 3 340.512 1.648 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000417731604 251246686 /nfs/dbraw/zinc/24/66/86/251246686.db2.gz GEFASPOKCHMREA-GOSISDBHSA-N 1 3 330.476 1.466 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000417749741 251254605 /nfs/dbraw/zinc/25/46/05/251254605.db2.gz JNKHWWXMTOEFSA-RDJZCZTQSA-N 1 3 339.528 1.077 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417802784 251276824 /nfs/dbraw/zinc/27/68/24/251276824.db2.gz DXSNZNQEEKZOCG-CVEARBPZSA-N 1 3 340.512 1.502 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823466 251284049 /nfs/dbraw/zinc/28/40/49/251284049.db2.gz KXDAOVUBAURHSX-AITUJVMLSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417851425 251297520 /nfs/dbraw/zinc/29/75/20/251297520.db2.gz YPKAPOHGYBPZGL-OQIJWPOYSA-N 1 3 342.487 1.900 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH2+]CC2CC2)CC1 ZINC000262636297 139291930 /nfs/dbraw/zinc/29/19/30/139291930.db2.gz HQSVVYWEQUKSKJ-UHFFFAOYSA-N 1 3 344.503 1.440 20 0 EDADHO [NH3+]C1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCCC1 ZINC000262677006 139295558 /nfs/dbraw/zinc/29/55/58/139295558.db2.gz SUWSOWAAJVAOJL-UHFFFAOYSA-N 1 3 345.487 1.921 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422878086 252007983 /nfs/dbraw/zinc/00/79/83/252007983.db2.gz IWHJLBDIRZTPJW-WCXIOVBPSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897005 252014844 /nfs/dbraw/zinc/01/48/44/252014844.db2.gz BCZLUIBUBONONL-FRFSOERESA-N 1 3 347.459 1.289 20 0 EDADHO CN(C)C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423780777 252070907 /nfs/dbraw/zinc/07/09/07/252070907.db2.gz WTIILWJLJHLZAB-INIZCTEOSA-N 1 3 339.867 1.828 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000423786407 252073585 /nfs/dbraw/zinc/07/35/85/252073585.db2.gz PRSVZUSXFKLNOR-INIZCTEOSA-N 1 3 342.447 1.825 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CCN1C ZINC000424149233 252145149 /nfs/dbraw/zinc/14/51/49/252145149.db2.gz VYTRIKJNIOINKB-RBSFLKMASA-N 1 3 333.480 1.442 20 0 EDADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154505 252147954 /nfs/dbraw/zinc/14/79/54/252147954.db2.gz MNQIBSHADQIBNI-YPMHNXCESA-N 1 3 340.431 1.340 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262940223 139314026 /nfs/dbraw/zinc/31/40/26/139314026.db2.gz ULTICFGPZABXGJ-IAGOWNOFSA-N 1 3 330.476 1.455 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302568 252193952 /nfs/dbraw/zinc/19/39/52/252193952.db2.gz ZXLVQUZVYBBWJH-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493935520 255227384 /nfs/dbraw/zinc/22/73/84/255227384.db2.gz ILFYIDUNOHDVHY-LJQANCHMSA-N 1 3 347.503 1.360 20 0 EDADHO O=C(CC[C@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000494698752 255258739 /nfs/dbraw/zinc/25/87/39/255258739.db2.gz KRMQPSKIBGPMGZ-QGZVFWFLSA-N 1 3 345.491 1.242 20 0 EDADHO O=C1O[C@]2(CN1CN1CCC[C@H]1C[NH+]1CCCC1)CN1CCC2CC1 ZINC000496322697 255380997 /nfs/dbraw/zinc/38/09/97/255380997.db2.gz IMKIRHFSIWVJLY-HKUYNNGSSA-N 1 3 348.491 1.421 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212245 140060931 /nfs/dbraw/zinc/06/09/31/140060931.db2.gz OFEQBKSZYCHMNP-QZEKMECESA-N 1 3 347.507 1.616 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212245 140060932 /nfs/dbraw/zinc/06/09/32/140060932.db2.gz OFEQBKSZYCHMNP-QZEKMECESA-N 1 3 347.507 1.616 20 0 EDADHO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270942711 140204362 /nfs/dbraw/zinc/20/43/62/140204362.db2.gz WPTQZDAIVKRCBU-WMHOYKDJSA-N 1 3 331.460 1.103 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC[NH2+]1 ZINC000333140659 141270752 /nfs/dbraw/zinc/27/07/52/141270752.db2.gz KVXWHUZKVCHGTL-QLFBSQMISA-N 1 3 329.452 1.023 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333853426 141394705 /nfs/dbraw/zinc/39/47/05/141394705.db2.gz OBEJVEJSIIVRAN-MVJTYMMSSA-N 1 3 337.508 1.994 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339670568 142114386 /nfs/dbraw/zinc/11/43/86/142114386.db2.gz HLCVBTKFWRSHPT-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000346382462 143199272 /nfs/dbraw/zinc/19/92/72/143199272.db2.gz VLDRXSDGQSFXKH-QZTJIDSGSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000346382462 143199273 /nfs/dbraw/zinc/19/92/73/143199273.db2.gz VLDRXSDGQSFXKH-QZTJIDSGSA-N 1 3 344.503 1.798 20 0 EDADHO Cc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1-n1cncn1 ZINC000346671863 143229623 /nfs/dbraw/zinc/22/96/23/143229623.db2.gz HLIMUVDJIBICEZ-UHFFFAOYSA-N 1 3 329.448 1.906 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000347241643 143299216 /nfs/dbraw/zinc/29/92/16/143299216.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000347241643 143299217 /nfs/dbraw/zinc/29/92/17/143299217.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000572880999 306602659 /nfs/dbraw/zinc/60/26/59/306602659.db2.gz XAPSBTPWLIZRNM-SOUVJXGZSA-N 1 3 348.491 1.474 20 0 EDADHO CCCCOC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369766810 155169516 /nfs/dbraw/zinc/16/95/16/155169516.db2.gz ODNWTTHPLTUGRT-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000369766810 155169518 /nfs/dbraw/zinc/16/95/18/155169518.db2.gz ODNWTTHPLTUGRT-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000369766810 155169521 /nfs/dbraw/zinc/16/95/21/155169521.db2.gz ODNWTTHPLTUGRT-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1 ZINC000416897335 304354256 /nfs/dbraw/zinc/35/42/56/304354256.db2.gz XNFYYVOYMWNACS-CQSZACIVSA-N 1 3 326.391 1.545 20 0 EDADHO CCC[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352757876 149151581 /nfs/dbraw/zinc/15/15/81/149151581.db2.gz LIGRDOXSIGDSPV-GOSISDBHSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000416971692 304357806 /nfs/dbraw/zinc/35/78/06/304357806.db2.gz DPBGDBFQTNDGFO-RDJZCZTQSA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000416972340 304358173 /nfs/dbraw/zinc/35/81/73/304358173.db2.gz GANOCQZYTLZBMG-CQSZACIVSA-N 1 3 344.406 1.409 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355267485 150192099 /nfs/dbraw/zinc/19/20/99/150192099.db2.gz DISGRMZXPKREQB-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC000355383028 150245602 /nfs/dbraw/zinc/24/56/02/150245602.db2.gz KJSZNLZFJZUPPR-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000358303907 151331650 /nfs/dbraw/zinc/33/16/50/151331650.db2.gz BQWIWTLFJARPAV-INIZCTEOSA-N 1 3 330.432 1.366 20 0 EDADHO CSC1(CNC(=O)NCCC[NH+]2CCCCC2)CCN(C)CC1 ZINC000358483566 151391452 /nfs/dbraw/zinc/39/14/52/151391452.db2.gz WPCYJZVZXDOSLP-UHFFFAOYSA-N 1 3 342.553 1.989 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)ccn1 ZINC000358529571 151408190 /nfs/dbraw/zinc/40/81/90/151408190.db2.gz MICDLAXHSMLKNU-UHFFFAOYSA-N 1 3 334.464 1.436 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000417115014 304373867 /nfs/dbraw/zinc/37/38/67/304373867.db2.gz OOCKIGQJSQPXHX-HNNXBMFYSA-N 1 3 340.537 1.741 20 0 EDADHO CSC1(CNC(=O)N(CCN(C)C)C(C)C)CC[NH+](C)CC1 ZINC000360696503 152156977 /nfs/dbraw/zinc/15/69/77/152156977.db2.gz RWZYIQIHZPKJBX-UHFFFAOYSA-N 1 3 330.542 1.795 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362107974 152616310 /nfs/dbraw/zinc/61/63/10/152616310.db2.gz ZPYOQXWZNXYYGE-HNNXBMFYSA-N 1 3 343.537 1.512 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362107974 152616311 /nfs/dbraw/zinc/61/63/11/152616311.db2.gz ZPYOQXWZNXYYGE-HNNXBMFYSA-N 1 3 343.537 1.512 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000417179814 304381063 /nfs/dbraw/zinc/38/10/63/304381063.db2.gz GBOSOVQPWBNUFF-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CC(C)[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000363743282 153043781 /nfs/dbraw/zinc/04/37/81/153043781.db2.gz JAADARYMUPBDMQ-QGZVFWFLSA-N 1 3 339.524 1.802 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417200137 304384212 /nfs/dbraw/zinc/38/42/12/304384212.db2.gz STXXOILJFBIEHM-KURKYZTESA-N 1 3 332.492 1.976 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226024 304385991 /nfs/dbraw/zinc/38/59/91/304385991.db2.gz ZKMRBOCVQZLGNK-BGTYHANMSA-N 1 3 328.460 1.683 20 0 EDADHO COC[C@@H](C)[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000367212007 154043356 /nfs/dbraw/zinc/04/33/56/154043356.db2.gz GWPMCBDNTHPTIF-QGZVFWFLSA-N 1 3 333.476 1.654 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189099 /nfs/dbraw/zinc/18/90/99/154189099.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189103 /nfs/dbraw/zinc/18/91/03/154189103.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2cc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189106 /nfs/dbraw/zinc/18/91/06/154189106.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 1 3 343.519 1.796 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CSCCN2)cc1 ZINC000367595025 154193275 /nfs/dbraw/zinc/19/32/75/154193275.db2.gz UVOHQYYSYKYEKK-PVAVHDDUSA-N 1 3 349.500 1.352 20 0 EDADHO C[C@H]1CSC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000367776954 154264830 /nfs/dbraw/zinc/26/48/30/154264830.db2.gz PMSUIFQXWXGXCU-BBRMVZONSA-N 1 3 340.537 1.596 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000367877428 154308897 /nfs/dbraw/zinc/30/88/97/154308897.db2.gz HBRLGPWUUVCXMK-UHFFFAOYSA-N 1 3 347.507 1.831 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000370592762 155569432 /nfs/dbraw/zinc/56/94/32/155569432.db2.gz IWUCDYUFRBMIQT-ZWKOTPCHSA-N 1 3 330.476 1.927 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000372336185 156338678 /nfs/dbraw/zinc/33/86/78/156338678.db2.gz DTDZLBJGYCYLMA-KVSKMBFKSA-N 1 3 328.460 1.954 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523414 304403150 /nfs/dbraw/zinc/40/31/50/304403150.db2.gz HXAZZEMPMPDOEL-YJBOKZPZSA-N 1 3 348.491 1.467 20 0 EDADHO C[C@@H]1CN(CC[N@H+](C)C2CCN(C3CCOCC3)CC2)CCO1 ZINC000374290993 157227848 /nfs/dbraw/zinc/22/78/48/157227848.db2.gz AORUAOOQRWXUND-MRXNPFEDSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@@H]1CN(CC[N@@H+](C)C2CCN(C3CCOCC3)CC2)CCO1 ZINC000374290993 157227853 /nfs/dbraw/zinc/22/78/53/157227853.db2.gz AORUAOOQRWXUND-MRXNPFEDSA-N 1 3 325.497 1.282 20 0 EDADHO CSC1(CNC(=O)[C@H](C2CC2)N2CCCC2)CC[NH+](C)CC1 ZINC000359274117 286656350 /nfs/dbraw/zinc/65/63/50/286656350.db2.gz NTMKNWKPFLADFX-HNNXBMFYSA-N 1 3 325.522 1.804 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128026 158086146 /nfs/dbraw/zinc/08/61/46/158086146.db2.gz HRIGONLZFFJCSH-HNNXBMFYSA-N 1 3 328.464 1.369 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000352429820 162177452 /nfs/dbraw/zinc/17/74/52/162177452.db2.gz COOZFGBLZLAXIR-OALUTQOASA-N 1 3 348.535 1.489 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000352429820 162177456 /nfs/dbraw/zinc/17/74/56/162177456.db2.gz COOZFGBLZLAXIR-OALUTQOASA-N 1 3 348.535 1.489 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534395 162237391 /nfs/dbraw/zinc/23/73/91/162237391.db2.gz GEHGZJSSJQURIN-KRWDZBQOSA-N 1 3 337.489 1.512 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418188636 304462099 /nfs/dbraw/zinc/46/20/99/304462099.db2.gz GQUKTHYVINAMTB-INIZCTEOSA-N 1 3 349.479 1.339 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC2C[NH2+]C2)N(C)C)cc1 ZINC000418207505 304463902 /nfs/dbraw/zinc/46/39/02/304463902.db2.gz PKBHBSBVFQNUNB-KRWDZBQOSA-N 1 3 334.464 1.595 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@H](C)CN1CCN(C)CC1)C(C)C ZINC000073440884 287259816 /nfs/dbraw/zinc/25/98/16/287259816.db2.gz GVKXXEORGHYKQM-KRWDZBQOSA-N 1 3 341.544 1.288 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000665758391 452328488 /nfs/dbraw/zinc/32/84/88/452328488.db2.gz HAQMCMSNNPMGQZ-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000665758391 452328498 /nfs/dbraw/zinc/32/84/98/452328498.db2.gz HAQMCMSNNPMGQZ-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000194600762 273004148 /nfs/dbraw/zinc/00/41/48/273004148.db2.gz DCMABEUMHSFUFN-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000237097354 273007662 /nfs/dbraw/zinc/00/76/62/273007662.db2.gz XXTPMAOAOVVWQU-INIZCTEOSA-N 1 3 348.447 1.284 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275545141 268358197 /nfs/dbraw/zinc/35/81/97/268358197.db2.gz FUHUHWISEOIXTK-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO COc1ccc2c(c1)C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000104533277 272919605 /nfs/dbraw/zinc/91/96/05/272919605.db2.gz LMYHNOZGEHKZBI-MRXNPFEDSA-N 1 3 349.475 1.198 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000277677574 273215498 /nfs/dbraw/zinc/21/54/98/273215498.db2.gz UYLOQALSVBLKAL-LAVFITLUSA-N 1 3 331.460 1.221 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000279330193 273293448 /nfs/dbraw/zinc/29/34/48/273293448.db2.gz TVDOMOOESARZTF-RYQLBKOJSA-N 1 3 333.476 1.546 20 0 EDADHO COCC[N@H+](C)CCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000279540505 273305145 /nfs/dbraw/zinc/30/51/45/273305145.db2.gz AIEXSCMAHHVIGX-UHFFFAOYSA-N 1 3 337.855 1.979 20 0 EDADHO COCC[N@@H+](C)CCCNCc1ccc(Cl)cc1-n1cncn1 ZINC000279540505 273305148 /nfs/dbraw/zinc/30/51/48/273305148.db2.gz AIEXSCMAHHVIGX-UHFFFAOYSA-N 1 3 337.855 1.979 20 0 EDADHO C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000368391514 274351540 /nfs/dbraw/zinc/35/15/40/274351540.db2.gz FGQPGNZKUWPFEE-BEFAXECRSA-N 1 3 335.467 1.959 20 0 EDADHO C[C@@H]1CN(C[C@H](O)c2ccc(F)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000368391514 274351541 /nfs/dbraw/zinc/35/15/41/274351541.db2.gz FGQPGNZKUWPFEE-BEFAXECRSA-N 1 3 335.467 1.959 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnc1 ZINC000080565289 276170493 /nfs/dbraw/zinc/17/04/93/276170493.db2.gz JHICXRCYJDEUIJ-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnc1 ZINC000080565289 276170495 /nfs/dbraw/zinc/17/04/95/276170495.db2.gz JHICXRCYJDEUIJ-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CCCC[C@H](C(=O)OC)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367662567 276241680 /nfs/dbraw/zinc/24/16/80/276241680.db2.gz XIZIGTNSHVYRED-IAGOWNOFSA-N 1 3 325.497 1.819 20 0 EDADHO CN(c1ccccc1CNC[C@H]1CC[C@@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717908 277003249 /nfs/dbraw/zinc/00/32/49/277003249.db2.gz ZLJLHCBVBNDLOA-MOPGFXCFSA-N 1 3 347.503 1.847 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)CC1 ZINC000268991508 277032126 /nfs/dbraw/zinc/03/21/26/277032126.db2.gz MRVUDESOYQBBSK-UHFFFAOYSA-N 1 3 343.471 1.865 20 0 EDADHO CN1CCN(CCCNC(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417014779 277105042 /nfs/dbraw/zinc/10/50/42/277105042.db2.gz FXHGABRHXJXIOQ-KRWDZBQOSA-N 1 3 333.480 1.013 20 0 EDADHO CN1CCN(c2ncc(CN(CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000352539430 277114408 /nfs/dbraw/zinc/11/44/08/277114408.db2.gz ANQQQDCTIFOVKX-UHFFFAOYSA-N 1 3 346.523 1.569 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353970 277579340 /nfs/dbraw/zinc/57/93/40/277579340.db2.gz CIRPNJIHFFBKRQ-KFWWJZLASA-N 1 3 336.484 1.113 20 0 EDADHO CCN(CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC000353241893 279198645 /nfs/dbraw/zinc/19/86/45/279198645.db2.gz XKAFXFKSXKNVLO-UHFFFAOYSA-N 1 3 326.485 1.005 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000358415861 282009647 /nfs/dbraw/zinc/00/96/47/282009647.db2.gz RNHZILKMEWXVRI-HNNXBMFYSA-N 1 3 326.529 1.685 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000288086920 288400458 /nfs/dbraw/zinc/40/04/58/288400458.db2.gz HPFPMUDVWWPTAW-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000290218222 288859933 /nfs/dbraw/zinc/85/99/33/288859933.db2.gz STAKVZDVXZWJMU-QZTJIDSGSA-N 1 3 345.491 1.098 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(C(=O)OC)c(C)n1C ZINC000290994888 288986495 /nfs/dbraw/zinc/98/64/95/288986495.db2.gz AQFCZWYZKTXKDJ-HNNXBMFYSA-N 1 3 325.453 1.567 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085551 289038286 /nfs/dbraw/zinc/03/82/86/289038286.db2.gz LYWQAYYWYUQRQQ-JFIYKMOQSA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000347085551 289038288 /nfs/dbraw/zinc/03/82/88/289038288.db2.gz LYWQAYYWYUQRQQ-JFIYKMOQSA-N 1 3 337.508 1.555 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000261973463 289224783 /nfs/dbraw/zinc/22/47/83/289224783.db2.gz BSWYZKMPOXNSOL-GDBMZVCRSA-N 1 3 325.478 1.544 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000356246282 290083683 /nfs/dbraw/zinc/08/36/83/290083683.db2.gz SNJCGKWUDXQSEL-OAGGEKHMSA-N 1 3 325.497 1.410 20 0 EDADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363715211 293019551 /nfs/dbraw/zinc/01/95/51/293019551.db2.gz UNLDUTDMBVEZAB-FVQBIDKESA-N 1 3 339.505 1.697 20 0 EDADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363715211 293019552 /nfs/dbraw/zinc/01/95/52/293019552.db2.gz UNLDUTDMBVEZAB-FVQBIDKESA-N 1 3 339.505 1.697 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cscn1 ZINC000664478074 453129061 /nfs/dbraw/zinc/12/90/61/453129061.db2.gz HOWSXLMPMMLHOF-ZDUSSCGKSA-N 1 3 327.498 1.257 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cscn1 ZINC000664478074 453129067 /nfs/dbraw/zinc/12/90/67/453129067.db2.gz HOWSXLMPMMLHOF-ZDUSSCGKSA-N 1 3 327.498 1.257 20 0 EDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828950 299998691 /nfs/dbraw/zinc/99/86/91/299998691.db2.gz OZWIXKPHBXBSSV-GJZGRUSLSA-N 1 3 336.480 1.609 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000420475428 304763330 /nfs/dbraw/zinc/76/33/30/304763330.db2.gz WRWKNKYRSITYTE-LSDHHAIUSA-N 1 3 325.478 1.544 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000295532526 303230637 /nfs/dbraw/zinc/23/06/37/303230637.db2.gz RLJATBFUKPOVDI-INIZCTEOSA-N 1 3 349.475 1.204 20 0 EDADHO CCO[C@@H]1C[C@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCC2 ZINC000411721925 303909493 /nfs/dbraw/zinc/90/94/93/303909493.db2.gz PRXFJFASNRMMBH-DLBZAZTESA-N 1 3 337.508 1.914 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000414888128 447345427 /nfs/dbraw/zinc/34/54/27/447345427.db2.gz XRIRZIOBZPYVRL-CYBMUJFWSA-N 1 3 332.448 1.334 20 0 EDADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101775 304886286 /nfs/dbraw/zinc/88/62/86/304886286.db2.gz JHOHOQYWYRIQNO-QSFMABPGSA-N 1 3 348.487 1.990 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117763 304887485 /nfs/dbraw/zinc/88/74/85/304887485.db2.gz WZUPAYSSZWWBPG-GXFFZTMASA-N 1 3 349.859 1.474 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423333967 304892833 /nfs/dbraw/zinc/89/28/33/304892833.db2.gz RZQZHHHBDLNWSU-GJZGRUSLSA-N 1 3 335.496 1.593 20 0 EDADHO C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC(C[NH3+])CC1 ZINC000430643057 305061029 /nfs/dbraw/zinc/06/10/29/305061029.db2.gz LGJUGNSRENUKOX-CQSZACIVSA-N 1 3 347.459 1.176 20 0 EDADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@H]1C ZINC000430747938 305064061 /nfs/dbraw/zinc/06/40/61/305064061.db2.gz NZHSZPOJKOXNSF-ZIAGYGMSSA-N 1 3 334.468 1.195 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)COC1C[NH2+]C1 ZINC000430877286 305066677 /nfs/dbraw/zinc/06/66/77/305066677.db2.gz WGOCDRXOCWRWJO-UHFFFAOYSA-N 1 3 335.473 1.471 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@H](C)C[NH3+])CC1 ZINC000430950007 305070092 /nfs/dbraw/zinc/07/00/92/305070092.db2.gz PFZRYTLGGMKBRP-QGZVFWFLSA-N 1 3 332.492 1.308 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNCc3ccccc32)CC1 ZINC000430959071 305070871 /nfs/dbraw/zinc/07/08/71/305070871.db2.gz VZVMQYZLSOSNHF-UHFFFAOYSA-N 1 3 330.476 1.585 20 0 EDADHO COc1cccc(CNC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034223 305073252 /nfs/dbraw/zinc/07/32/52/305073252.db2.gz NJCSQKXEWDAOOT-HNNXBMFYSA-N 1 3 331.460 1.775 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCO[C@H]2C)CC1 ZINC000433200365 305103035 /nfs/dbraw/zinc/10/30/35/305103035.db2.gz HPJLSUCLYTZJMN-LPHOPBHVSA-N 1 3 333.476 1.458 20 0 EDADHO CC[N@H+](CCNC(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105808 /nfs/dbraw/zinc/10/58/08/305105808.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 1 3 328.501 1.517 20 0 EDADHO CC[N@@H+](CCNC(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105809 /nfs/dbraw/zinc/10/58/09/305105809.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433386162 305107298 /nfs/dbraw/zinc/10/72/98/305107298.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433386162 305107299 /nfs/dbraw/zinc/10/72/99/305107299.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C ZINC000433387097 305107468 /nfs/dbraw/zinc/10/74/68/305107468.db2.gz QFUDMZVERMEZNO-RBSFLKMASA-N 1 3 334.468 1.195 20 0 EDADHO CN(c1ccccc1CN1CCO[C@@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000435371955 305139203 /nfs/dbraw/zinc/13/92/03/305139203.db2.gz PFYYBOXVYQKUNL-SFHVURJKSA-N 1 3 332.492 1.377 20 0 EDADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000660700420 453523987 /nfs/dbraw/zinc/52/39/87/453523987.db2.gz OUVGQWTWCONXQH-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760897 305229760 /nfs/dbraw/zinc/22/97/60/305229760.db2.gz AUKHAPKLFLAJHE-HUUCEWRRSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760897 305229761 /nfs/dbraw/zinc/22/97/61/305229761.db2.gz AUKHAPKLFLAJHE-HUUCEWRRSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760897 305229762 /nfs/dbraw/zinc/22/97/62/305229762.db2.gz AUKHAPKLFLAJHE-HUUCEWRRSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000449350769 305312375 /nfs/dbraw/zinc/31/23/75/305312375.db2.gz NHPGKBKUFOZDCV-RHSMWYFYSA-N 1 3 344.459 1.306 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCN2CCCO)CCCCC1 ZINC000452376075 305394959 /nfs/dbraw/zinc/39/49/59/305394959.db2.gz YQMNDLZTBVKTOO-MRXNPFEDSA-N 1 3 325.497 1.462 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000524937692 305821093 /nfs/dbraw/zinc/82/10/93/305821093.db2.gz UBTAHRBVXXBULO-UHFFFAOYSA-N 1 3 345.491 1.845 20 0 EDADHO COc1ccc(C[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000534064772 306003331 /nfs/dbraw/zinc/00/33/31/306003331.db2.gz CLJUMBFOZMJYSC-MRXNPFEDSA-N 1 3 335.492 1.826 20 0 EDADHO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000551104103 306155802 /nfs/dbraw/zinc/15/58/02/306155802.db2.gz BCEKFLSMLMKKFA-MSOLQXFVSA-N 1 3 333.476 1.470 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000552155282 306176364 /nfs/dbraw/zinc/17/63/64/306176364.db2.gz OKWBUFOQXRUAQE-BZSNNMDCSA-N 1 3 331.460 1.032 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000552155282 306176365 /nfs/dbraw/zinc/17/63/65/306176365.db2.gz OKWBUFOQXRUAQE-BZSNNMDCSA-N 1 3 331.460 1.032 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H](CN)c2ccc3ccccc3c2)C1 ZINC000414955996 447372794 /nfs/dbraw/zinc/37/27/94/447372794.db2.gz PJRBTFWKQAZMQW-DNVCBOLYSA-N 1 3 340.471 1.627 20 0 EDADHO COc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414969380 447378727 /nfs/dbraw/zinc/37/87/27/447378727.db2.gz GMAZWAZNHKBNJP-OAHLLOKOSA-N 1 3 347.381 1.630 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000414984531 447385281 /nfs/dbraw/zinc/38/52/81/447385281.db2.gz MDHAOZKCDCNOPC-OAHLLOKOSA-N 1 3 346.475 1.439 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000414984531 447385288 /nfs/dbraw/zinc/38/52/88/447385288.db2.gz MDHAOZKCDCNOPC-OAHLLOKOSA-N 1 3 346.475 1.439 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000377908470 447387698 /nfs/dbraw/zinc/38/76/98/447387698.db2.gz TWKIFLFGJXRMHN-ZACQAIPSSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000377908470 447387704 /nfs/dbraw/zinc/38/77/04/447387704.db2.gz TWKIFLFGJXRMHN-ZACQAIPSSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CCN(C2CC2)C1 ZINC000458521329 447399595 /nfs/dbraw/zinc/39/95/95/447399595.db2.gz SSUWCSURXDIARR-WMLDXEAASA-N 1 3 340.537 1.549 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449933713 447413616 /nfs/dbraw/zinc/41/36/16/447413616.db2.gz DOJDNYNZIKYVKA-GOSISDBHSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449933713 447413621 /nfs/dbraw/zinc/41/36/21/447413621.db2.gz DOJDNYNZIKYVKA-GOSISDBHSA-N 1 3 337.508 1.747 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000076321142 441629288 /nfs/dbraw/zinc/62/92/88/441629288.db2.gz HWHIUEPHAXZYIW-INIZCTEOSA-N 1 3 337.468 1.176 20 0 EDADHO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)o1 ZINC000114506627 441665504 /nfs/dbraw/zinc/66/55/04/441665504.db2.gz MFAPMETWRGSFJV-SJLPKXTDSA-N 1 3 335.492 1.883 20 0 EDADHO CC(=O)Nc1ccccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615839 441814113 /nfs/dbraw/zinc/81/41/13/441814113.db2.gz MURWLEQZBSSPFU-UHFFFAOYSA-N 1 3 346.475 1.535 20 0 EDADHO NC(=O)[N-]C(=O)OCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093204696 441865031 /nfs/dbraw/zinc/86/50/31/441865031.db2.gz MQZPZNZNWDRKLC-UHFFFAOYSA-N 1 3 340.468 1.769 20 0 EDADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCSC1 ZINC000123805766 441900853 /nfs/dbraw/zinc/90/08/53/441900853.db2.gz HOOZNLSOYQDCCZ-MRXNPFEDSA-N 1 3 340.537 1.692 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458670218 447446129 /nfs/dbraw/zinc/44/61/29/447446129.db2.gz XDALCIFPBQIFTE-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150459 442183571 /nfs/dbraw/zinc/18/35/71/442183571.db2.gz XVNUVTQAJURNJW-NPMXOYFQSA-N 1 3 338.517 1.949 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480137 442587622 /nfs/dbraw/zinc/58/76/22/442587622.db2.gz FYZZUMUEIYMVKS-IRXDYDNUSA-N 1 3 341.496 1.007 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000186707815 442597472 /nfs/dbraw/zinc/59/74/72/442597472.db2.gz KUQVOYHBXXOPPX-QAPCUYQASA-N 1 3 325.497 1.900 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192762683 442684647 /nfs/dbraw/zinc/68/46/47/442684647.db2.gz LNPMLKDUWBFWOK-MQVJKMGUSA-N 1 3 337.489 1.488 20 0 EDADHO CN(c1ccccc1C[NH2+]CCCOCCO)C1CCN(C)CC1 ZINC000181228578 442685643 /nfs/dbraw/zinc/68/56/43/442685643.db2.gz KAGQEIBMYPUCLH-UHFFFAOYSA-N 1 3 335.492 1.706 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000187952299 442700002 /nfs/dbraw/zinc/70/00/02/442700002.db2.gz AFDLGNPFZCWHDP-QAPCUYQASA-N 1 3 325.497 1.458 20 0 EDADHO CCN(CCO)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000187202880 442660178 /nfs/dbraw/zinc/66/01/78/442660178.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CCN(CCO)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000187202880 442660180 /nfs/dbraw/zinc/66/01/80/442660180.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccccc2[nH]c1=O ZINC000180962650 442672231 /nfs/dbraw/zinc/67/22/31/442672231.db2.gz VLVONHVXQOXWOZ-UHFFFAOYSA-N 1 3 342.487 1.986 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265535980 442813604 /nfs/dbraw/zinc/81/36/04/442813604.db2.gz KAMPTGNVPDQTKN-QZTJIDSGSA-N 1 3 346.475 1.281 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265535980 442813607 /nfs/dbraw/zinc/81/36/07/442813607.db2.gz KAMPTGNVPDQTKN-QZTJIDSGSA-N 1 3 346.475 1.281 20 0 EDADHO COC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000249179095 442959241 /nfs/dbraw/zinc/95/92/41/442959241.db2.gz GYTUJLMUQAWLSF-SOLBZPMBSA-N 1 3 328.497 1.907 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000266107185 443019542 /nfs/dbraw/zinc/01/95/42/443019542.db2.gz FCRJJZGOUHJBBQ-LJQANCHMSA-N 1 3 344.503 1.751 20 0 EDADHO CC(C)C[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000236681870 443144486 /nfs/dbraw/zinc/14/44/86/443144486.db2.gz CBCHVALVDKCGSX-RBUKOAKNSA-N 1 3 346.519 1.855 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000185028560 443121250 /nfs/dbraw/zinc/12/12/50/443121250.db2.gz DOYIFIUMSHGQJM-BHIYHBOVSA-N 1 3 342.487 1.394 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237605038 443176691 /nfs/dbraw/zinc/17/66/91/443176691.db2.gz HSPLCFHGTIPXGK-HOTGVXAUSA-N 1 3 337.508 1.996 20 0 EDADHO COC[C@@]1(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738350 319124842 /nfs/dbraw/zinc/12/48/42/319124842.db2.gz KSQRXPRUJKQIEV-FXAWDEMLSA-N 1 3 345.487 1.736 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC2(N(C)C)CCC2)ccc1C[NH+](C)C ZINC000411379017 319181539 /nfs/dbraw/zinc/18/15/39/319181539.db2.gz HTHYHIVSOBOPBZ-UHFFFAOYSA-N 1 3 346.475 1.596 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCF)(N2CCOCC2)CC1 ZINC000414202699 319318965 /nfs/dbraw/zinc/31/89/65/319318965.db2.gz UNFVLMSBUBMISW-IAGOWNOFSA-N 1 3 327.488 1.901 20 0 EDADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204986 319319593 /nfs/dbraw/zinc/31/95/93/319319593.db2.gz WYHFCPQZEJSKCI-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO CN(CCN)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415859154 319379185 /nfs/dbraw/zinc/37/91/85/319379185.db2.gz LDTAPXFPJPYTIE-UHFFFAOYSA-N 1 3 346.475 1.807 20 0 EDADHO CN(CCN)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415859154 319379188 /nfs/dbraw/zinc/37/91/88/319379188.db2.gz LDTAPXFPJPYTIE-UHFFFAOYSA-N 1 3 346.475 1.807 20 0 EDADHO CN(C)C1(CNC(=O)[C@@H](C[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000269278699 443264218 /nfs/dbraw/zinc/26/42/18/443264218.db2.gz ZAKYSNZKXLKMGV-IBGZPJMESA-N 1 3 337.467 1.944 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416838096 319465854 /nfs/dbraw/zinc/46/58/54/319465854.db2.gz ITRNHUBUAKMCLE-DLBZAZTESA-N 1 3 334.464 1.439 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000417953502 319497849 /nfs/dbraw/zinc/49/78/49/319497849.db2.gz PQIQQXVTFPCVNQ-HNNXBMFYSA-N 1 3 349.479 1.211 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000419011667 319541929 /nfs/dbraw/zinc/54/19/29/319541929.db2.gz SRCMDVOZLWJQCZ-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO Cn1ccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000267118131 443347932 /nfs/dbraw/zinc/34/79/32/443347932.db2.gz ZJDQISDUQDGNLT-UHFFFAOYSA-N 1 3 333.480 1.383 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980366 443480887 /nfs/dbraw/zinc/48/08/87/443480887.db2.gz JXLMPYRWKBNVPD-WMLDXEAASA-N 1 3 327.432 1.519 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457749079 320334837 /nfs/dbraw/zinc/33/48/37/320334837.db2.gz UQXCKZOTENVGSB-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CN1CCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1(C)C ZINC000457774835 320335772 /nfs/dbraw/zinc/33/57/72/320335772.db2.gz JBPYPFDJXCYOPB-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358057 /nfs/dbraw/zinc/35/80/57/320358057.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358058 /nfs/dbraw/zinc/35/80/58/320358058.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 1 3 334.508 1.985 20 0 EDADHO COC[C@](C)(O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000532359228 320673959 /nfs/dbraw/zinc/67/39/59/320673959.db2.gz GUUIDQQIGQBTGL-LJQANCHMSA-N 1 3 335.492 1.704 20 0 EDADHO COC1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCOCC1 ZINC000277064393 443899020 /nfs/dbraw/zinc/89/90/20/443899020.db2.gz RSVBGIBGWHHIPD-UHFFFAOYSA-N 1 3 347.503 1.719 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCCN3CCCC3=O)CC2)CC1 ZINC000542595000 320782900 /nfs/dbraw/zinc/78/29/00/320782900.db2.gz TZFRPVRAIBZGMA-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc2c1OCCO2 ZINC000281516394 443933286 /nfs/dbraw/zinc/93/32/86/443933286.db2.gz AJZUVJLAPOUKNU-UHFFFAOYSA-N 1 3 349.475 1.582 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293602997 444068161 /nfs/dbraw/zinc/06/81/61/444068161.db2.gz LGHMSPDGXKRGNQ-UHFFFAOYSA-N 1 3 332.448 1.135 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000293590784 444063269 /nfs/dbraw/zinc/06/32/69/444063269.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 1 3 348.487 1.643 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000293590784 444063272 /nfs/dbraw/zinc/06/32/72/444063272.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 1 3 348.487 1.643 20 0 EDADHO O=C(NCCCN1CCN(c2ccncc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000563212871 321100620 /nfs/dbraw/zinc/10/06/20/321100620.db2.gz DGOKEELKTBWJKV-SFHVURJKSA-N 1 3 345.491 1.242 20 0 EDADHO CN(C)CCN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CCCC1 ZINC000564440636 321131570 /nfs/dbraw/zinc/13/15/70/321131570.db2.gz STEHSQWPGKODAY-QGZVFWFLSA-N 1 3 333.480 1.754 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000565182542 321174140 /nfs/dbraw/zinc/17/41/40/321174140.db2.gz NHGKHNRBURNPMJ-HOTGVXAUSA-N 1 3 337.508 1.819 20 0 EDADHO CN1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000565435129 321186509 /nfs/dbraw/zinc/18/65/09/321186509.db2.gz YKUCWPGJLZWTRW-IBGZPJMESA-N 1 3 344.503 1.624 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566007207 321210136 /nfs/dbraw/zinc/21/01/36/321210136.db2.gz MAHLRLVGOOZZJF-HOTGVXAUSA-N 1 3 348.495 1.415 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567476957 321243350 /nfs/dbraw/zinc/24/33/50/321243350.db2.gz SAWVJMYOKCARJB-IAGOWNOFSA-N 1 3 346.475 1.378 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)N1CCCCC1 ZINC000570804997 321358331 /nfs/dbraw/zinc/35/83/31/321358331.db2.gz IXXUJTQEFYYXRY-IRXDYDNUSA-N 1 3 337.508 1.711 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)N1CCCCC1 ZINC000570804996 321358507 /nfs/dbraw/zinc/35/85/07/321358507.db2.gz IXXUJTQEFYYXRY-IAGOWNOFSA-N 1 3 337.508 1.711 20 0 EDADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289364946 444118987 /nfs/dbraw/zinc/11/89/87/444118987.db2.gz HSRVPCZLLMLYJF-SFHVURJKSA-N 1 3 348.535 1.849 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000570936139 321364775 /nfs/dbraw/zinc/36/47/75/321364775.db2.gz RDIQIVZPPPAGKG-INIZCTEOSA-N 1 3 346.475 1.664 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572023665 321411777 /nfs/dbraw/zinc/41/17/77/321411777.db2.gz PRAWXKVTTBONFM-UHFFFAOYSA-N 1 3 333.476 1.922 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778894 444202203 /nfs/dbraw/zinc/20/22/03/444202203.db2.gz IYHTVTSEMPHCQZ-DLBZAZTESA-N 1 3 347.459 1.247 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778894 444202205 /nfs/dbraw/zinc/20/22/05/444202205.db2.gz IYHTVTSEMPHCQZ-DLBZAZTESA-N 1 3 347.459 1.247 20 0 EDADHO CC[C@@](C)(CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305138239 444260402 /nfs/dbraw/zinc/26/04/02/444260402.db2.gz GXJOXAXFXCPKMA-SFHVURJKSA-N 1 3 340.512 1.395 20 0 EDADHO CCN1CCN(c2ccccc2CNC[C@](C)(O)C[NH+](C)C)CC1 ZINC000305205429 444264822 /nfs/dbraw/zinc/26/48/22/444264822.db2.gz CLDDPBJUDGNYKN-IBGZPJMESA-N 1 3 334.508 1.231 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319558 444236254 /nfs/dbraw/zinc/23/62/54/444236254.db2.gz USRWMJFKGHQYAH-HOTGVXAUSA-N 1 3 325.497 1.412 20 0 EDADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290589741 444298556 /nfs/dbraw/zinc/29/85/56/444298556.db2.gz OJPAQPSNOXRSHF-RBUKOAKNSA-N 1 3 327.472 1.967 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325816716 444369542 /nfs/dbraw/zinc/36/95/42/444369542.db2.gz MFCSWSBIWFTPAJ-JTDSTZFVSA-N 1 3 337.508 1.757 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)N1CCc2ccccc2C1 ZINC000337812830 444419739 /nfs/dbraw/zinc/41/97/39/444419739.db2.gz MJPHEMOISLMTMY-MOPGFXCFSA-N 1 3 345.487 1.693 20 0 EDADHO O=C(NC1CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000580052744 322002006 /nfs/dbraw/zinc/00/20/06/322002006.db2.gz JKAPDGXWTKYMBM-UHFFFAOYSA-N 1 3 330.476 1.745 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000581121044 322138090 /nfs/dbraw/zinc/13/80/90/322138090.db2.gz OKHTVRPTKIDIFI-KBAYOESNSA-N 1 3 346.475 1.185 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132426 322140226 /nfs/dbraw/zinc/14/02/26/322140226.db2.gz IOFWCICKXQTDCQ-AZUAARDMSA-N 1 3 344.503 1.481 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247062 322154044 /nfs/dbraw/zinc/15/40/44/322154044.db2.gz OFAVPPFDLZBGBH-HZPDHXFCSA-N 1 3 340.439 1.656 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247062 322154046 /nfs/dbraw/zinc/15/40/46/322154046.db2.gz OFAVPPFDLZBGBH-HZPDHXFCSA-N 1 3 340.439 1.656 20 0 EDADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000581304505 322161526 /nfs/dbraw/zinc/16/15/26/322161526.db2.gz HIQOWUYBPYTNKL-UAGQMJEPSA-N 1 3 337.489 1.699 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCCO)CC2)CC1 ZINC000581438148 322178084 /nfs/dbraw/zinc/17/80/84/322178084.db2.gz HARIIXOKQSVPCB-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1CN(CCCO[C@@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283711 444611222 /nfs/dbraw/zinc/61/12/22/444611222.db2.gz SVWNEBITDHQSEM-GUDVDZBRSA-N 1 3 339.524 1.878 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000320 444623946 /nfs/dbraw/zinc/62/39/46/444623946.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 1 3 345.487 1.736 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000320 444623951 /nfs/dbraw/zinc/62/39/51/444623951.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 1 3 345.487 1.736 20 0 EDADHO COCCCN(C)CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341112832 444679614 /nfs/dbraw/zinc/67/96/14/444679614.db2.gz CANVZADKIOZKLD-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@@H]12 ZINC000333931052 444721644 /nfs/dbraw/zinc/72/16/44/444721644.db2.gz ZQPDFWDONJDXPD-XMTFNYHQSA-N 1 3 328.460 1.640 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000342662206 444802547 /nfs/dbraw/zinc/80/25/47/444802547.db2.gz OUEBSBFPBHNFKW-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000342662206 444802550 /nfs/dbraw/zinc/80/25/50/444802550.db2.gz OUEBSBFPBHNFKW-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000342766024 444855575 /nfs/dbraw/zinc/85/55/75/444855575.db2.gz RQVHZVKNVHZJOD-XIRDDKMYSA-N 1 3 347.459 1.436 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000342766024 444855578 /nfs/dbraw/zinc/85/55/78/444855578.db2.gz RQVHZVKNVHZJOD-XIRDDKMYSA-N 1 3 347.459 1.436 20 0 EDADHO CC1(C)NC(=O)N(CCCN2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)C1=O ZINC000337041373 444913399 /nfs/dbraw/zinc/91/33/99/444913399.db2.gz BKWREOXUQCRVMB-HOTGVXAUSA-N 1 3 344.459 1.381 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342981761 444987797 /nfs/dbraw/zinc/98/77/97/444987797.db2.gz ZTWKMEUNAFPYGL-GASCZTMLSA-N 1 3 334.464 1.511 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000344488459 445005172 /nfs/dbraw/zinc/00/51/72/445005172.db2.gz XAAAAEBLICHFJM-JKSUJKDBSA-N 1 3 328.501 1.109 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1N(C)C ZINC000344720244 445136415 /nfs/dbraw/zinc/13/64/15/445136415.db2.gz GKUNBTABDCIDNZ-ARFHVFGLSA-N 1 3 343.537 1.284 20 0 EDADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000346117052 445206705 /nfs/dbraw/zinc/20/67/05/445206705.db2.gz XLDMCRIDCLQRPN-RHSMWYFYSA-N 1 3 346.475 1.883 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)N(C)C1 ZINC000347083825 445231435 /nfs/dbraw/zinc/23/14/35/445231435.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)N(C)C1 ZINC000347083825 445231436 /nfs/dbraw/zinc/23/14/36/445231436.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 1 3 326.485 1.221 20 0 EDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277671 /nfs/dbraw/zinc/27/76/71/445277671.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 1 3 335.471 1.805 20 0 EDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277675 /nfs/dbraw/zinc/27/76/75/445277675.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 1 3 335.471 1.805 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354712311 445347838 /nfs/dbraw/zinc/34/78/38/445347838.db2.gz PTRXUVJENBWFSB-KRWDZBQOSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)C(=O)COc1ccccc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043442 445391931 /nfs/dbraw/zinc/39/19/31/445391931.db2.gz GCQBBPANRAEISC-QGZVFWFLSA-N 1 3 345.487 1.975 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000357171667 445465781 /nfs/dbraw/zinc/46/57/81/445465781.db2.gz HBCHCMCVYKVQPV-ZMMAXQRCSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000353096211 445575453 /nfs/dbraw/zinc/57/54/53/445575453.db2.gz ILTBLWAKVQCMNH-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038360 445539540 /nfs/dbraw/zinc/53/95/40/445539540.db2.gz NGIWOPXZBKGMPM-JKSUJKDBSA-N 1 3 348.491 1.848 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360038360 445539543 /nfs/dbraw/zinc/53/95/43/445539543.db2.gz NGIWOPXZBKGMPM-JKSUJKDBSA-N 1 3 348.491 1.848 20 0 EDADHO CO[C@@H](CN)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451948 445607618 /nfs/dbraw/zinc/60/76/18/445607618.db2.gz QBEUTYIVGDXSJZ-PKOBYXMFSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@@H](CN)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451948 445607620 /nfs/dbraw/zinc/60/76/20/445607620.db2.gz QBEUTYIVGDXSJZ-PKOBYXMFSA-N 1 3 331.460 1.475 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356088793 445613027 /nfs/dbraw/zinc/61/30/27/445613027.db2.gz JSABABSQEUPUAQ-DOTOQJQBSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356088793 445613031 /nfs/dbraw/zinc/61/30/31/445613031.db2.gz JSABABSQEUPUAQ-DOTOQJQBSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N1CCN(C)CC1 ZINC000358466602 445621777 /nfs/dbraw/zinc/62/17/77/445621777.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 1 3 341.544 1.286 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N1CCN(C)CC1 ZINC000358466602 445621778 /nfs/dbraw/zinc/62/17/78/445621778.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 1 3 341.544 1.286 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000356187926 445667669 /nfs/dbraw/zinc/66/76/69/445667669.db2.gz TXSVIVFBLIWOJB-INIZCTEOSA-N 1 3 328.501 1.328 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)CC(C)C ZINC000358658437 445697912 /nfs/dbraw/zinc/69/79/12/445697912.db2.gz DZIAEKHVNSJGNZ-NVXWUHKLSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358723029 445743128 /nfs/dbraw/zinc/74/31/28/445743128.db2.gz OXXVUZFVVCKMQG-KXBFYZLASA-N 1 3 348.491 1.482 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000350024460 445751488 /nfs/dbraw/zinc/75/14/88/445751488.db2.gz AKQGXZICVHUYLB-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000350024460 445751493 /nfs/dbraw/zinc/75/14/93/445751493.db2.gz AKQGXZICVHUYLB-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO CC[NH+](CC)CCOCCNCc1c(C)nc2sc(C)nn12 ZINC000350357722 445816240 /nfs/dbraw/zinc/81/62/40/445816240.db2.gz PLPNEZVPGINJHN-UHFFFAOYSA-N 1 3 325.482 1.856 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000356591143 445875614 /nfs/dbraw/zinc/87/56/14/445875614.db2.gz CMIYADKIGZGQLJ-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000356591143 445875618 /nfs/dbraw/zinc/87/56/18/445875618.db2.gz CMIYADKIGZGQLJ-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000356624942 445894601 /nfs/dbraw/zinc/89/46/01/445894601.db2.gz UOSHMUHLKNPVJT-SFHVURJKSA-N 1 3 336.524 1.491 20 0 EDADHO C[N@H+](C[C@@H]1CC12CCN(C[C@@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046937 445990558 /nfs/dbraw/zinc/99/05/58/445990558.db2.gz XQCIFACBBKJDKR-GJZGRUSLSA-N 1 3 326.506 1.617 20 0 EDADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046937 445990560 /nfs/dbraw/zinc/99/05/60/445990560.db2.gz XQCIFACBBKJDKR-GJZGRUSLSA-N 1 3 326.506 1.617 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000354198838 445992334 /nfs/dbraw/zinc/99/23/34/445992334.db2.gz MEWXQRVWKFHCLJ-QGZVFWFLSA-N 1 3 332.492 1.998 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)[C@@H]2C1 ZINC000373120523 446042812 /nfs/dbraw/zinc/04/28/12/446042812.db2.gz GGHCVWBJVBQFOA-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)[C@@H]2C1 ZINC000373120523 446042817 /nfs/dbraw/zinc/04/28/17/446042817.db2.gz GGHCVWBJVBQFOA-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000359223917 446053863 /nfs/dbraw/zinc/05/38/63/446053863.db2.gz KSLFKUBHLPVGDB-MRXNPFEDSA-N 1 3 346.475 1.663 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000351564640 446162321 /nfs/dbraw/zinc/16/23/21/446162321.db2.gz TUPRJCKGEYYHID-UHFFFAOYSA-N 1 3 327.494 1.614 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407870 446184397 /nfs/dbraw/zinc/18/43/97/446184397.db2.gz KTTGFVAYQFNHCT-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660158 446291397 /nfs/dbraw/zinc/29/13/97/446291397.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 1 3 343.487 1.816 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660158 446291399 /nfs/dbraw/zinc/29/13/99/446291399.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 1 3 343.487 1.816 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H]1C ZINC000417371098 446351106 /nfs/dbraw/zinc/35/11/06/446351106.db2.gz UZDDLELTOGNAOC-GJZGRUSLSA-N 1 3 334.464 1.519 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417501907 446355931 /nfs/dbraw/zinc/35/59/31/446355931.db2.gz ARSBTIBOPNCLCB-KRWDZBQOSA-N 1 3 348.491 1.563 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417578870 446365301 /nfs/dbraw/zinc/36/53/01/446365301.db2.gz AYYQNHSFAFJGOK-HNNXBMFYSA-N 1 3 340.512 1.837 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)Cc1ccccc1 ZINC000417592786 446366191 /nfs/dbraw/zinc/36/61/91/446366191.db2.gz UHMZXUQYJWVUJB-OCCSQVGLSA-N 1 3 328.407 1.789 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417952274 446398565 /nfs/dbraw/zinc/39/85/65/446398565.db2.gz OFGLSJNCTFZKFV-HNNXBMFYSA-N 1 3 337.468 1.195 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418136777 446441137 /nfs/dbraw/zinc/44/11/37/446441137.db2.gz ILDGCLKTCQSKMB-QZTJIDSGSA-N 1 3 330.476 1.900 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000418169170 446443754 /nfs/dbraw/zinc/44/37/54/446443754.db2.gz MTRIBYUVLMPQFZ-SFHVURJKSA-N 1 3 346.475 1.696 20 0 EDADHO CC(C)(CCC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417999118 446410956 /nfs/dbraw/zinc/41/09/56/446410956.db2.gz UNAQVLGWIJPDPI-KRWDZBQOSA-N 1 3 348.491 1.570 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCN1C ZINC000418013555 446416453 /nfs/dbraw/zinc/41/64/53/446416453.db2.gz ZJTSIEISXTVQTI-LBZRDPAVSA-N 1 3 334.508 1.922 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000432509856 446476499 /nfs/dbraw/zinc/47/64/99/446476499.db2.gz OQFWSBCQUASVHZ-CRAIPNDOSA-N 1 3 330.476 1.556 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334003 446493403 /nfs/dbraw/zinc/49/34/03/446493403.db2.gz QFTMLARFYMTEKO-GJZGRUSLSA-N 1 3 333.480 1.491 20 0 EDADHO COCc1cccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331613 446501165 /nfs/dbraw/zinc/50/11/65/446501165.db2.gz RAULGZJDUAUDLC-RBUKOAKNSA-N 1 3 345.487 1.771 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337931 446507823 /nfs/dbraw/zinc/50/78/23/446507823.db2.gz KJFPJXMIVVBDSJ-DLBZAZTESA-N 1 3 331.460 1.503 20 0 EDADHO COc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344855 446516382 /nfs/dbraw/zinc/51/63/82/446516382.db2.gz UVUNNZHXCGROKJ-DOTOQJQBSA-N 1 3 331.460 1.633 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343114 446515865 /nfs/dbraw/zinc/51/58/65/446515865.db2.gz RCLIZTFWIANHPN-LISAXSMJSA-N 1 3 343.471 1.946 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000423356204 446498073 /nfs/dbraw/zinc/49/80/73/446498073.db2.gz JNUUCOFJYIHUSH-HOTGVXAUSA-N 1 3 347.507 1.737 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1CN1CCCCC1 ZINC000423358460 446498411 /nfs/dbraw/zinc/49/84/11/446498411.db2.gz UFPLYHJYCKWVDE-MSOLQXFVSA-N 1 3 345.491 1.898 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350398 446558934 /nfs/dbraw/zinc/55/89/34/446558934.db2.gz FCIUNHYCKHKHJN-IEBWSBKVSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CNCCN2C)CC1 ZINC000423518408 446560152 /nfs/dbraw/zinc/56/01/52/446560152.db2.gz OOHWRGPOPSEDFB-XLIONFOSSA-N 1 3 330.520 1.575 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@H]1CCCN1CCCO ZINC000418487433 446562161 /nfs/dbraw/zinc/56/21/61/446562161.db2.gz ILFDECURVDRWAC-QSFKDOLUSA-N 1 3 338.496 1.038 20 0 EDADHO C[C@H](C[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423536716 446565178 /nfs/dbraw/zinc/56/51/78/446565178.db2.gz IGPRVQAVZVZFAZ-MRVWCRGKSA-N 1 3 329.366 1.760 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346154 446519129 /nfs/dbraw/zinc/51/91/29/446519129.db2.gz XNVYKLDJXSUWRS-HUUCEWRRSA-N 1 3 333.501 1.954 20 0 EDADHO Cc1ccccc1CCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346205 446519173 /nfs/dbraw/zinc/51/91/73/446519173.db2.gz XPXHBKHFSKRFTJ-RTBURBONSA-N 1 3 329.488 1.975 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375704 446520006 /nfs/dbraw/zinc/52/00/06/446520006.db2.gz HULLSRPOJDNNRF-SJORKVTESA-N 1 3 340.512 1.286 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000418391572 446525829 /nfs/dbraw/zinc/52/58/29/446525829.db2.gz CCCBFGJTRKUPRU-CRAIPNDOSA-N 1 3 330.476 1.887 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418392331 446526310 /nfs/dbraw/zinc/52/63/10/446526310.db2.gz PYIMQRBQWLPHER-FUHWJXTLSA-N 1 3 347.507 1.933 20 0 EDADHO CN(Cc1ncnn1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367288688 446531746 /nfs/dbraw/zinc/53/17/46/446531746.db2.gz IBVVJBOPIUVTPI-INIZCTEOSA-N 1 3 334.512 1.633 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CCCN1CCCO ZINC000418448650 446546155 /nfs/dbraw/zinc/54/61/55/446546155.db2.gz RBNJUKHJRVBADV-QGZVFWFLSA-N 1 3 340.512 1.445 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)nn1 ZINC000420369787 446548639 /nfs/dbraw/zinc/54/86/39/446548639.db2.gz CDAFQEITLYFTQJ-INIZCTEOSA-N 1 3 333.411 1.982 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](CCCOc3ccc(F)cc3)C2)nn1 ZINC000420369787 446548645 /nfs/dbraw/zinc/54/86/45/446548645.db2.gz CDAFQEITLYFTQJ-INIZCTEOSA-N 1 3 333.411 1.982 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524297 446581422 /nfs/dbraw/zinc/58/14/22/446581422.db2.gz MZOIARKPISKXDZ-ROUUACIJSA-N 1 3 345.491 1.687 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418553885 446591788 /nfs/dbraw/zinc/59/17/88/446591788.db2.gz ICBTZMDZDNTWHA-CRAIPNDOSA-N 1 3 348.491 1.909 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418561289 446594771 /nfs/dbraw/zinc/59/47/71/446594771.db2.gz YSHKZZBBEAJINL-INIZCTEOSA-N 1 3 328.460 1.917 20 0 EDADHO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000376693042 446656346 /nfs/dbraw/zinc/65/63/46/446656346.db2.gz DSUFBOPPIZSCIZ-KRWDZBQOSA-N 1 3 335.379 1.236 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418780778 446698762 /nfs/dbraw/zinc/69/87/62/446698762.db2.gz CGEMTRRQRQTLMY-SJORKVTESA-N 1 3 339.528 1.173 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000418780781 446698833 /nfs/dbraw/zinc/69/88/33/446698833.db2.gz CGFVWOZECRSSQJ-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776433 446712176 /nfs/dbraw/zinc/71/21/76/446712176.db2.gz HWPMMDQQVMFTLU-NFFSZXGFSA-N 1 3 336.480 1.116 20 0 EDADHO CN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776433 446712182 /nfs/dbraw/zinc/71/21/82/446712182.db2.gz HWPMMDQQVMFTLU-NFFSZXGFSA-N 1 3 336.480 1.116 20 0 EDADHO CCOC(=O)CCCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371261262 446721978 /nfs/dbraw/zinc/72/19/78/446721978.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371261262 446721988 /nfs/dbraw/zinc/72/19/88/446721988.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCC[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371261262 446721997 /nfs/dbraw/zinc/72/19/97/446721997.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCC[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000371261262 446722004 /nfs/dbraw/zinc/72/20/04/446722004.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CNCCO1 ZINC000418759205 446679195 /nfs/dbraw/zinc/67/91/95/446679195.db2.gz GDSQNIVDGWROOW-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000418846203 446747987 /nfs/dbraw/zinc/74/79/87/446747987.db2.gz XLDHROUVWUIQOV-KRWDZBQOSA-N 1 3 346.475 1.136 20 0 EDADHO CN(CCNC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)C1CC1 ZINC000371311864 446765660 /nfs/dbraw/zinc/76/56/60/446765660.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 1 3 334.508 1.987 20 0 EDADHO CN(CCNC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000371311864 446765665 /nfs/dbraw/zinc/76/56/65/446765665.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038268 446800286 /nfs/dbraw/zinc/80/02/86/446800286.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 1 3 336.520 1.808 20 0 EDADHO C[C@H](CN1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038268 446800289 /nfs/dbraw/zinc/80/02/89/446800289.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 1 3 336.520 1.808 20 0 EDADHO C[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412038268 446800292 /nfs/dbraw/zinc/80/02/92/446800292.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 1 3 336.520 1.808 20 0 EDADHO C[C@@H](CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412038268 446800294 /nfs/dbraw/zinc/80/02/94/446800294.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 1 3 336.520 1.808 20 0 EDADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029291 446875609 /nfs/dbraw/zinc/87/56/09/446875609.db2.gz RLUFQZLSAOMTHE-LSDHHAIUSA-N 1 3 338.496 1.001 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000424462015 446878801 /nfs/dbraw/zinc/87/88/01/446878801.db2.gz LXMIUTKTCYTXGD-RCCFBDPRSA-N 1 3 346.475 1.322 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)[C@@H](C)C1 ZINC000454532728 446903961 /nfs/dbraw/zinc/90/39/61/446903961.db2.gz YYDVUVZVIBBRNG-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)[C@@H](C)C1 ZINC000454532728 446903966 /nfs/dbraw/zinc/90/39/66/446903966.db2.gz YYDVUVZVIBBRNG-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419084095 446913925 /nfs/dbraw/zinc/91/39/25/446913925.db2.gz XZKWSYKMHSMWLZ-OAGGEKHMSA-N 1 3 338.496 1.095 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCCCC[N@H+](C)C2CC2)CCSC1 ZINC000454596595 446919473 /nfs/dbraw/zinc/91/94/73/446919473.db2.gz FWMRZICJOXSXBE-MRXNPFEDSA-N 1 3 328.526 1.597 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000454596595 446919478 /nfs/dbraw/zinc/91/94/78/446919478.db2.gz FWMRZICJOXSXBE-MRXNPFEDSA-N 1 3 328.526 1.597 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983379 446957901 /nfs/dbraw/zinc/95/79/01/446957901.db2.gz QXCRWHVFLLMVTR-OAHLLOKOSA-N 1 3 337.430 1.792 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983379 446957909 /nfs/dbraw/zinc/95/79/09/446957909.db2.gz QXCRWHVFLLMVTR-OAHLLOKOSA-N 1 3 337.430 1.792 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983379 446957915 /nfs/dbraw/zinc/95/79/15/446957915.db2.gz QXCRWHVFLLMVTR-OAHLLOKOSA-N 1 3 337.430 1.792 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766986 446958951 /nfs/dbraw/zinc/95/89/51/446958951.db2.gz XSXAVEIQARQXOT-HZPDHXFCSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766986 446958954 /nfs/dbraw/zinc/95/89/54/446958954.db2.gz XSXAVEIQARQXOT-HZPDHXFCSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766986 446958956 /nfs/dbraw/zinc/95/89/56/446958956.db2.gz XSXAVEIQARQXOT-HZPDHXFCSA-N 1 3 348.466 1.534 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962370 /nfs/dbraw/zinc/96/23/70/446962370.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CC(=O)NCC3CCC3)CC2)CC1 ZINC000420986124 446962373 /nfs/dbraw/zinc/96/23/73/446962373.db2.gz XWOLFSNSLYTCHM-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000419215360 447013807 /nfs/dbraw/zinc/01/38/07/447013807.db2.gz OHOJTLBPUJNFIP-HUUCEWRRSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000419215360 447013811 /nfs/dbraw/zinc/01/38/11/447013811.db2.gz OHOJTLBPUJNFIP-HUUCEWRRSA-N 1 3 346.475 1.141 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019707 446989831 /nfs/dbraw/zinc/98/98/31/446989831.db2.gz QDRBLHXPFBDJJM-HKUYNNGSSA-N 1 3 347.503 1.890 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419175781 446991365 /nfs/dbraw/zinc/99/13/65/446991365.db2.gz YCDLVJQXPADMIS-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO CCCN1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000372263973 447031069 /nfs/dbraw/zinc/03/10/69/447031069.db2.gz DGSKAYPQFCFMGM-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374714 447097919 /nfs/dbraw/zinc/09/79/19/447097919.db2.gz ZBQXMEAUSJTLCP-CGTJXYLNSA-N 1 3 349.523 1.848 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@@H]1C ZINC000455656707 447199330 /nfs/dbraw/zinc/19/93/30/447199330.db2.gz KXVAZTAFJIBOCO-GJZGRUSLSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@@H]1C ZINC000455656707 447199333 /nfs/dbraw/zinc/19/93/33/447199333.db2.gz KXVAZTAFJIBOCO-GJZGRUSLSA-N 1 3 336.484 1.781 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000376042030 447230865 /nfs/dbraw/zinc/23/08/65/447230865.db2.gz JNIOBXLVHPKRCY-UYAOXDASSA-N 1 3 345.487 1.865 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231177 /nfs/dbraw/zinc/23/11/77/447231177.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231180 /nfs/dbraw/zinc/23/11/80/447231180.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390851626 447503004 /nfs/dbraw/zinc/50/30/04/447503004.db2.gz DRNMGAHHPAVNRC-ROUUACIJSA-N 1 3 333.476 1.911 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000398192908 447556338 /nfs/dbraw/zinc/55/63/38/447556338.db2.gz ZYOPEHHUYDJMGL-HQRMLTQVSA-N 1 3 345.487 1.639 20 0 EDADHO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NC1CCN(C2CC2)CC1 ZINC000450866655 447601187 /nfs/dbraw/zinc/60/11/87/447601187.db2.gz TYHJMNSPWCITBN-QRQLOZEOSA-N 1 3 347.503 1.667 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000457575630 447601682 /nfs/dbraw/zinc/60/16/82/447601682.db2.gz LBSGWUACOIOCGF-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416850273 447695827 /nfs/dbraw/zinc/69/58/27/447695827.db2.gz ZLNLOQNQGOSMCC-ZWKOTPCHSA-N 1 3 348.491 1.829 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)OC)c1 ZINC000496063389 447700058 /nfs/dbraw/zinc/70/00/58/447700058.db2.gz HGQKDDGVZKPPLN-OAHLLOKOSA-N 1 3 333.436 1.963 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+]1CCCCC1 ZINC000457903869 447667130 /nfs/dbraw/zinc/66/71/30/447667130.db2.gz GAMGHLYOPULICM-DLBZAZTESA-N 1 3 340.512 1.254 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720331 447728092 /nfs/dbraw/zinc/72/80/92/447728092.db2.gz SIJWZNWUHSLHAK-IAGOWNOFSA-N 1 3 332.496 1.096 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832894 447763136 /nfs/dbraw/zinc/76/31/36/447763136.db2.gz LOORBZPXBUXXOW-YUTCNCBUSA-N 1 3 346.397 2.244 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCNc1ccc(C(F)(F)F)cn1 ZINC000422832894 447763142 /nfs/dbraw/zinc/76/31/42/447763142.db2.gz LOORBZPXBUXXOW-YUTCNCBUSA-N 1 3 346.397 2.244 20 0 EDADHO CN(C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811712 /nfs/dbraw/zinc/81/17/12/447811712.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811715 /nfs/dbraw/zinc/81/17/15/447811715.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 1 3 341.496 1.632 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458335346 447771062 /nfs/dbraw/zinc/77/10/62/447771062.db2.gz DKQUGDNNVYQWFC-BBWFWOEESA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458335346 447771068 /nfs/dbraw/zinc/77/10/68/447771068.db2.gz DKQUGDNNVYQWFC-BBWFWOEESA-N 1 3 340.512 1.395 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000431021516 447790061 /nfs/dbraw/zinc/79/00/61/447790061.db2.gz JXKWORCNCOUXPD-ABHNRTSZSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H](NCCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000423112498 447807642 /nfs/dbraw/zinc/80/76/42/447807642.db2.gz XJXLFBGAIXHKET-CHWSQXEVSA-N 1 3 345.896 1.596 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113843 447807889 /nfs/dbraw/zinc/80/78/89/447807889.db2.gz ZIERQVOJCRXBMU-ZFWWWQNUSA-N 1 3 334.464 1.782 20 0 EDADHO C[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496588604 447827793 /nfs/dbraw/zinc/82/77/93/447827793.db2.gz ZAPHRRDMVWOSRO-WMLDXEAASA-N 1 3 329.485 1.584 20 0 EDADHO C[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000496588604 447827795 /nfs/dbraw/zinc/82/77/95/447827795.db2.gz ZAPHRRDMVWOSRO-WMLDXEAASA-N 1 3 329.485 1.584 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569823134 447900790 /nfs/dbraw/zinc/90/07/90/447900790.db2.gz GHAICXAEUVLJMY-GOSISDBHSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569823134 447900794 /nfs/dbraw/zinc/90/07/94/447900794.db2.gz GHAICXAEUVLJMY-GOSISDBHSA-N 1 3 345.487 1.472 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000530727946 447947050 /nfs/dbraw/zinc/94/70/50/447947050.db2.gz YHOSYMBCGYWMSU-INIZCTEOSA-N 1 3 328.460 1.959 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000524264271 447921744 /nfs/dbraw/zinc/92/17/44/447921744.db2.gz VJAYDMOROSUOGQ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000524264271 447921750 /nfs/dbraw/zinc/92/17/50/447921750.db2.gz VJAYDMOROSUOGQ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO Cc1nc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880592 447976908 /nfs/dbraw/zinc/97/69/08/447976908.db2.gz UISAENMYJXNAJO-UHFFFAOYSA-N 1 3 346.397 1.974 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220274 448002339 /nfs/dbraw/zinc/00/23/39/448002339.db2.gz KRBLISKZMHDDAN-ZFWWWQNUSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220274 448002348 /nfs/dbraw/zinc/00/23/48/448002348.db2.gz KRBLISKZMHDDAN-ZFWWWQNUSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220274 448002354 /nfs/dbraw/zinc/00/23/54/448002354.db2.gz KRBLISKZMHDDAN-ZFWWWQNUSA-N 1 3 334.416 1.229 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399972 448004521 /nfs/dbraw/zinc/00/45/21/448004521.db2.gz VPKDODJFIJTZID-HNNXBMFYSA-N 1 3 344.459 1.451 20 0 EDADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000570273844 447974772 /nfs/dbraw/zinc/97/47/72/447974772.db2.gz TUIQZARBZNLVQK-HZPDHXFCSA-N 1 3 331.464 1.727 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000525826508 448033703 /nfs/dbraw/zinc/03/37/03/448033703.db2.gz BDUWOZWEMNEFLL-GASCZTMLSA-N 1 3 331.464 1.645 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576457273 448059912 /nfs/dbraw/zinc/05/99/12/448059912.db2.gz CRQHKDHOBKTMPN-BRWVUGGUSA-N 1 3 327.513 1.311 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)N(C)C1 ZINC000501266234 448093691 /nfs/dbraw/zinc/09/36/91/448093691.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 1 3 338.496 1.364 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)N(C)C1 ZINC000501266234 448093695 /nfs/dbraw/zinc/09/36/95/448093695.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N(C)C1CC1 ZINC000531770781 448141312 /nfs/dbraw/zinc/14/13/12/448141312.db2.gz FKPJQILJSMCHED-XYPHTWIQSA-N 1 3 338.496 1.146 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000527058441 448149961 /nfs/dbraw/zinc/14/99/61/448149961.db2.gz LOIYFOROAILLAL-FQEVSTJZSA-N 1 3 347.503 1.814 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[C@H]1[NH3+] ZINC000514722026 448193662 /nfs/dbraw/zinc/19/36/62/448193662.db2.gz MRRXGRLMOALEKA-WKIYYKSKSA-N 1 3 348.413 1.780 20 0 EDADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000582415428 448230117 /nfs/dbraw/zinc/23/01/17/448230117.db2.gz UOGQPMMGDIPZFW-KRWDZBQOSA-N 1 3 335.448 1.459 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000532230838 448218769 /nfs/dbraw/zinc/21/87/69/448218769.db2.gz IMTBNLAHINXRDJ-AEFFLSMTSA-N 1 3 332.492 1.338 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577351797 448271411 /nfs/dbraw/zinc/27/14/11/448271411.db2.gz MKVJKAQNDYPBDP-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577351797 448271415 /nfs/dbraw/zinc/27/14/15/448271415.db2.gz MKVJKAQNDYPBDP-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 ZINC000577364313 448276020 /nfs/dbraw/zinc/27/60/20/448276020.db2.gz QSSJUEFHDDNECO-UHFFFAOYSA-N 1 3 342.447 2.513 20 0 EDADHO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)COC1CNC1 ZINC000572406545 448371427 /nfs/dbraw/zinc/37/14/27/448371427.db2.gz VCALEMYVPMRZET-SJLPKXTDSA-N 1 3 331.460 1.174 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000572406546 448371037 /nfs/dbraw/zinc/37/10/37/448371037.db2.gz VCALEMYVPMRZET-WMZOPIPTSA-N 1 3 331.460 1.174 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000566179754 448405632 /nfs/dbraw/zinc/40/56/32/448405632.db2.gz XGVQIJHGRLIPDR-SZMVWBNQSA-N 1 3 333.476 1.810 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CCC3)CC2)C[C@H](C)O1 ZINC000578186777 448479100 /nfs/dbraw/zinc/47/91/00/448479100.db2.gz BJLJBTMOGMACBF-RVKKMQEKSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000578186777 448479108 /nfs/dbraw/zinc/47/91/08/448479108.db2.gz BJLJBTMOGMACBF-RVKKMQEKSA-N 1 3 325.497 1.063 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957011 448505668 /nfs/dbraw/zinc/50/56/68/448505668.db2.gz WGTKTNDDCBSHRI-LPHOPBHVSA-N 1 3 346.519 1.670 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000566618875 448522247 /nfs/dbraw/zinc/52/22/47/448522247.db2.gz MIKCAOGRLVJPRD-INIZCTEOSA-N 1 3 342.447 1.022 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(CO)CC3)CC2)CC1 ZINC000573017622 448523592 /nfs/dbraw/zinc/52/35/92/448523592.db2.gz LCCRMHZWAGVEFS-UHFFFAOYSA-N 1 3 337.508 1.414 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)C(=O)OC)CC2)CC1 ZINC000566629828 448525693 /nfs/dbraw/zinc/52/56/93/448525693.db2.gz WRUWIBWOBQDRKA-CQSZACIVSA-N 1 3 339.480 1.108 20 0 EDADHO CNC(=O)[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855552 448572793 /nfs/dbraw/zinc/57/27/93/448572793.db2.gz SFLNCHGYAUNFGD-HFTRVMKXSA-N 1 3 335.467 1.969 20 0 EDADHO CNC(=O)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855552 448572798 /nfs/dbraw/zinc/57/27/98/448572798.db2.gz SFLNCHGYAUNFGD-HFTRVMKXSA-N 1 3 335.467 1.969 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)nn1C ZINC000578433346 448543580 /nfs/dbraw/zinc/54/35/80/448543580.db2.gz YRSHDLXIXHEYHV-MRXNPFEDSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)nn1C ZINC000578433346 448543585 /nfs/dbraw/zinc/54/35/85/448543585.db2.gz YRSHDLXIXHEYHV-MRXNPFEDSA-N 1 3 335.496 1.146 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146965 448544237 /nfs/dbraw/zinc/54/42/37/448544237.db2.gz RDJSNRGXZWQUHY-QWHCGFSZSA-N 1 3 333.461 1.281 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CCOC1CNC1 ZINC000584715365 448604979 /nfs/dbraw/zinc/60/49/79/448604979.db2.gz JDQIHTGDPWRNRZ-HKUYNNGSSA-N 1 3 345.487 1.564 20 0 EDADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CCN(C2CC2)CC1 ZINC000578745872 448625293 /nfs/dbraw/zinc/62/52/93/448625293.db2.gz LREKEIMFONGJTI-GOSISDBHSA-N 1 3 328.460 1.881 20 0 EDADHO C[N@H+](C[C@@H](O)CNc1cccc(CN2CCC(O)CC2)c1)C1CC1 ZINC000567262937 448652635 /nfs/dbraw/zinc/65/26/35/448652635.db2.gz HYOAXBPSYRSHHZ-IBGZPJMESA-N 1 3 333.476 1.510 20 0 EDADHO C[N@@H+](C[C@@H](O)CNc1cccc(CN2CCC(O)CC2)c1)C1CC1 ZINC000567262937 448652639 /nfs/dbraw/zinc/65/26/39/448652639.db2.gz HYOAXBPSYRSHHZ-IBGZPJMESA-N 1 3 333.476 1.510 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000567494281 448703058 /nfs/dbraw/zinc/70/30/58/448703058.db2.gz XHKSIVZYERYMDJ-PKOBYXMFSA-N 1 3 348.487 1.825 20 0 EDADHO [NH3+]C[C@H]1CN(CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502347 448704458 /nfs/dbraw/zinc/70/44/58/448704458.db2.gz ICVUBNABMSWKDZ-INIZCTEOSA-N 1 3 342.443 1.966 20 0 EDADHO C[C@@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775630 448709516 /nfs/dbraw/zinc/70/95/16/448709516.db2.gz SYLLGTAZWILVCZ-BEFAXECRSA-N 1 3 344.459 1.465 20 0 EDADHO COc1cc(F)c(C[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000519410363 448767534 /nfs/dbraw/zinc/76/75/34/448767534.db2.gz LVTIAYGQKZXCHQ-UHFFFAOYSA-N 1 3 339.455 1.960 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574023975 448771455 /nfs/dbraw/zinc/77/14/55/448771455.db2.gz GOZTUQQSEBTIES-MJGOQNOKSA-N 1 3 328.460 1.659 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319735 448820366 /nfs/dbraw/zinc/82/03/66/448820366.db2.gz CLZCDLCYGSGBMQ-WBVHZDCISA-N 1 3 346.475 1.314 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000579833796 448891019 /nfs/dbraw/zinc/89/10/19/448891019.db2.gz IAXFGGKXQXNYLV-UONOGXRCSA-N 1 3 328.526 1.773 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301461 448994276 /nfs/dbraw/zinc/99/42/76/448994276.db2.gz GOKDGNSJUDEXBW-MRXNPFEDSA-N 1 3 334.464 1.525 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)CCN(C)c2ccncc2)CCCO1 ZINC000569301461 448994285 /nfs/dbraw/zinc/99/42/85/448994285.db2.gz GOKDGNSJUDEXBW-MRXNPFEDSA-N 1 3 334.464 1.525 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)CCN(C)c2ccncc2)CCCO1 ZINC000569301461 448994292 /nfs/dbraw/zinc/99/42/92/448994292.db2.gz GOKDGNSJUDEXBW-MRXNPFEDSA-N 1 3 334.464 1.525 20 0 EDADHO C[C@H]1C[C@@H](CO)CCN1CCOCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000582086074 449006980 /nfs/dbraw/zinc/00/69/80/449006980.db2.gz IAQXLRSWXOYMHY-XSLAGTTESA-N 1 3 328.497 1.189 20 0 EDADHO C[C@H]1C[C@@H](CO)CCN1CCOCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000582086074 449006981 /nfs/dbraw/zinc/00/69/81/449006981.db2.gz IAQXLRSWXOYMHY-XSLAGTTESA-N 1 3 328.497 1.189 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000569558500 449042620 /nfs/dbraw/zinc/04/26/20/449042620.db2.gz PHNKFXPRNHCVOH-GOSISDBHSA-N 1 3 346.475 1.837 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698797 449631372 /nfs/dbraw/zinc/63/13/72/449631372.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 1 3 330.476 1.752 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698797 449631378 /nfs/dbraw/zinc/63/13/78/449631378.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 1 3 330.476 1.752 20 0 EDADHO COc1ccc(F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504192 449647497 /nfs/dbraw/zinc/64/74/97/449647497.db2.gz KFBOLDSQBSTIME-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO COc1ccc(F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504192 449647500 /nfs/dbraw/zinc/64/75/00/449647500.db2.gz KFBOLDSQBSTIME-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617502517 449647646 /nfs/dbraw/zinc/64/76/46/449647646.db2.gz RWSWEFTZCYSPGQ-WDSOQIARSA-N 1 3 347.503 1.805 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000617502517 449647648 /nfs/dbraw/zinc/64/76/48/449647648.db2.gz RWSWEFTZCYSPGQ-WDSOQIARSA-N 1 3 347.503 1.805 20 0 EDADHO CCOC(=O)[C@]1(CNC2CC[NH+](CC(C)(C)O)CC2)CCCOC1 ZINC000602743295 449779231 /nfs/dbraw/zinc/77/92/31/449779231.db2.gz DRTQQTRUBDXRJG-SFHVURJKSA-N 1 3 342.480 1.171 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612874921 449921435 /nfs/dbraw/zinc/92/14/35/449921435.db2.gz HYDWVVCLEHNUEA-SFHVURJKSA-N 1 3 334.464 1.221 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)N(C)Cc1ccccc1 ZINC000612968717 449963095 /nfs/dbraw/zinc/96/30/95/449963095.db2.gz AWAJMYFJVCMVNX-WBVHZDCISA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000625433047 450358437 /nfs/dbraw/zinc/35/84/37/450358437.db2.gz UOJCMMXDBBNLJN-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000625433047 450358440 /nfs/dbraw/zinc/35/84/40/450358440.db2.gz UOJCMMXDBBNLJN-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CN(CCCN(C)[C@@H]1CCN(C2CCCCC2)C1=O)CC[NH+](C)C ZINC000625433047 450358445 /nfs/dbraw/zinc/35/84/45/450358445.db2.gz UOJCMMXDBBNLJN-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO C[N@@H+]1CC[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351587 450503278 /nfs/dbraw/zinc/50/32/78/450503278.db2.gz WTBRFHBFEANWPP-CQSZACIVSA-N 1 3 325.478 1.339 20 0 EDADHO C[N@H+]1CC[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351587 450503282 /nfs/dbraw/zinc/50/32/82/450503282.db2.gz WTBRFHBFEANWPP-CQSZACIVSA-N 1 3 325.478 1.339 20 0 EDADHO CCN(CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063709 450566266 /nfs/dbraw/zinc/56/62/66/450566266.db2.gz MYFPGCGRKQQFAM-CQSZACIVSA-N 1 3 332.448 1.510 20 0 EDADHO CC(C)[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1 ZINC000621160104 450607149 /nfs/dbraw/zinc/60/71/49/450607149.db2.gz YZJOALUCKSBAKB-HZPDHXFCSA-N 1 3 325.522 1.660 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000633043594 450642107 /nfs/dbraw/zinc/64/21/07/450642107.db2.gz PRLVGTCUDLMCQW-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629529288 450726292 /nfs/dbraw/zinc/72/62/92/450726292.db2.gz XYOHYFUGCCRBET-AWEZNQCLSA-N 1 3 341.477 1.113 20 0 EDADHO CCC(CC)[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)N1CCOCC1 ZINC000629554314 450733574 /nfs/dbraw/zinc/73/35/74/450733574.db2.gz FOOXAYLVCNFEJX-QZTJIDSGSA-N 1 3 327.513 1.170 20 0 EDADHO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000631748924 450748896 /nfs/dbraw/zinc/74/88/96/450748896.db2.gz LSLMFPYTOSYXSV-JKSUJKDBSA-N 1 3 331.526 1.512 20 0 EDADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000621699270 450840674 /nfs/dbraw/zinc/84/06/74/450840674.db2.gz QFHRIJSZTPMWJR-XLIONFOSSA-N 1 3 342.487 1.539 20 0 EDADHO O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]1CN1CCCCC1 ZINC000631894762 450853842 /nfs/dbraw/zinc/85/38/42/450853842.db2.gz CHEAQCBAZMHCJG-KRWDZBQOSA-N 1 3 343.537 1.752 20 0 EDADHO COc1ccccc1[C@H](N)CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631901048 450859633 /nfs/dbraw/zinc/85/96/33/450859633.db2.gz POEONVUQEVSISI-OAHLLOKOSA-N 1 3 341.477 1.100 20 0 EDADHO Cc1cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000621776218 450863932 /nfs/dbraw/zinc/86/39/32/450863932.db2.gz FYXZBJRHTUMRMA-KRWDZBQOSA-N 1 3 340.475 1.902 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000626864412 450967654 /nfs/dbraw/zinc/96/76/54/450967654.db2.gz BGOCHIUCWHWWFU-LSDHHAIUSA-N 1 3 332.448 1.252 20 0 EDADHO C[NH2+]CCOCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000626938930 451020263 /nfs/dbraw/zinc/02/02/63/451020263.db2.gz MZYDPJKUQIJQEI-UHFFFAOYSA-N 1 3 348.491 1.359 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626939586 451020666 /nfs/dbraw/zinc/02/06/66/451020666.db2.gz JUZJHBOUVZASPE-QGZVFWFLSA-N 1 3 334.464 1.186 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635525502 451023737 /nfs/dbraw/zinc/02/37/37/451023737.db2.gz IEXDSBMPPKGACV-KSZLIROESA-N 1 3 328.460 1.969 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000626996866 451062173 /nfs/dbraw/zinc/06/21/73/451062173.db2.gz HGIVZZXXKBGCAU-OWTLIXCDSA-N 1 3 348.413 1.780 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000626997734 451062928 /nfs/dbraw/zinc/06/29/28/451062928.db2.gz CAUSOTYKQOUWAA-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000627017058 451082040 /nfs/dbraw/zinc/08/20/40/451082040.db2.gz ZARGZZNZDAQMCT-IBGZPJMESA-N 1 3 348.491 1.658 20 0 EDADHO C[NH+](C)CCC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000632185196 451099718 /nfs/dbraw/zinc/09/97/18/451099718.db2.gz WNUCZFMTCGJAGA-UHFFFAOYSA-N 1 3 331.526 1.466 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC2([NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000627039300 451096337 /nfs/dbraw/zinc/09/63/37/451096337.db2.gz URWMAYSETXYVGY-RDJZCZTQSA-N 1 3 346.475 1.457 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219399 451193526 /nfs/dbraw/zinc/19/35/26/451193526.db2.gz VKVVOMIPSZAVLP-GOSISDBHSA-N 1 3 348.491 1.310 20 0 EDADHO CN(CC(=O)N[C@@H]1CC[C@H]([NH+]2CCN(C)CC2)CC1)CC(C)(C)C ZINC000635799568 451247946 /nfs/dbraw/zinc/24/79/46/451247946.db2.gz BQADOKSGMAKCJQ-CALCHBBNSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CCNCC1 ZINC000638118625 451286453 /nfs/dbraw/zinc/28/64/53/451286453.db2.gz BQTBXZLTXLPTHQ-YRWFTTLQSA-N 1 3 344.503 1.164 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CCNCC1 ZINC000638118625 451286460 /nfs/dbraw/zinc/28/64/60/451286460.db2.gz BQTBXZLTXLPTHQ-YRWFTTLQSA-N 1 3 344.503 1.164 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638103192 451270489 /nfs/dbraw/zinc/27/04/89/451270489.db2.gz LRVSUDWSPXXXIF-CAIZAGQASA-N 1 3 345.487 1.923 20 0 EDADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277713 /nfs/dbraw/zinc/27/77/13/451277713.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 1 3 325.478 1.639 20 0 EDADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000638110702 451277715 /nfs/dbraw/zinc/27/77/15/451277715.db2.gz ONSXUCQPPORERX-UKRRQHHQSA-N 1 3 325.478 1.639 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638115007 451282634 /nfs/dbraw/zinc/28/26/34/451282634.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 1 3 346.519 1.826 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638115007 451282637 /nfs/dbraw/zinc/28/26/37/451282637.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 1 3 346.519 1.826 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635839314 451288178 /nfs/dbraw/zinc/28/81/78/451288178.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635839314 451288181 /nfs/dbraw/zinc/28/81/81/451288181.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 1 3 345.487 1.424 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638271272 451390044 /nfs/dbraw/zinc/39/00/44/451390044.db2.gz OAIJGOWXEORJBP-GOSISDBHSA-N 1 3 332.492 1.435 20 0 EDADHO O=C1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCN1 ZINC000638274994 451394012 /nfs/dbraw/zinc/39/40/12/451394012.db2.gz RIJHCHCSQGYDCS-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357453 451456819 /nfs/dbraw/zinc/45/68/19/451456819.db2.gz MHQWFNXZONWNHM-CYGHRXIMSA-N 1 3 332.492 1.278 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379768 451474997 /nfs/dbraw/zinc/47/49/97/451474997.db2.gz MZGUOMPAEPIHFC-HFCFLWKCSA-N 1 3 330.476 1.176 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000630907614 451476865 /nfs/dbraw/zinc/47/68/65/451476865.db2.gz NSBXXRZVLNKTCR-ZWKOTPCHSA-N 1 3 333.476 1.974 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000630907614 451476871 /nfs/dbraw/zinc/47/68/71/451476871.db2.gz NSBXXRZVLNKTCR-ZWKOTPCHSA-N 1 3 333.476 1.974 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638395283 451484211 /nfs/dbraw/zinc/48/42/11/451484211.db2.gz AXWVNXFNJFYTPA-OCCSQVGLSA-N 1 3 345.447 1.255 20 0 EDADHO OC[C@H](Cc1ccccc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721239 451501316 /nfs/dbraw/zinc/50/13/16/451501316.db2.gz VOZNJLHUXIZVKN-LEWJYISDSA-N 1 3 340.467 1.817 20 0 EDADHO OC[C@H](Cc1ccccc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721239 451501324 /nfs/dbraw/zinc/50/13/24/451501324.db2.gz VOZNJLHUXIZVKN-LEWJYISDSA-N 1 3 340.467 1.817 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638438402 451516724 /nfs/dbraw/zinc/51/67/24/451516724.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 1 3 334.508 1.682 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638438402 451516725 /nfs/dbraw/zinc/51/67/25/451516725.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 1 3 334.508 1.682 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638546200 451571356 /nfs/dbraw/zinc/57/13/56/451571356.db2.gz CITSPSRFCSEGDE-MELADBBJSA-N 1 3 329.366 1.542 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953814 451622024 /nfs/dbraw/zinc/62/20/24/451622024.db2.gz LFEINNHLZKVMCO-GOSISDBHSA-N 1 3 330.476 1.192 20 0 EDADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000634959612 451623955 /nfs/dbraw/zinc/62/39/55/451623955.db2.gz WWTFSVBPQPAJHL-QGZVFWFLSA-N 1 3 349.475 1.402 20 0 EDADHO CC(C)CC[NH+]1CCC(CNCc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638720743 451664795 /nfs/dbraw/zinc/66/47/95/451664795.db2.gz IFDGHPWHKCFJNE-UHFFFAOYSA-N 1 3 343.493 1.775 20 0 EDADHO Cn1cc(CCC[NH2+]CC2(N3CCCCC3)CCN(C)CC2)cn1 ZINC000638694037 451657734 /nfs/dbraw/zinc/65/77/34/451657734.db2.gz ZEKNXIIUNKCHKN-UHFFFAOYSA-N 1 3 333.524 1.893 20 0 EDADHO NCc1ccc2c(c1)N(C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)CCO2 ZINC000638807830 451697581 /nfs/dbraw/zinc/69/75/81/451697581.db2.gz POSCTOHZHGOWLY-OAHLLOKOSA-N 1 3 341.415 1.306 20 0 EDADHO COCC[NH2+]CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831637 451704606 /nfs/dbraw/zinc/70/46/06/451704606.db2.gz NMJXCOVMBLVYDA-CQSZACIVSA-N 1 3 347.381 1.660 20 0 EDADHO O=C(C[C@H]1CNCCO1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850039 451710244 /nfs/dbraw/zinc/71/02/44/451710244.db2.gz AYMDKBJGVJLHBP-OALUTQOASA-N 1 3 345.487 1.926 20 0 EDADHO O=C(C[C@H]1CNCCO1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850039 451710246 /nfs/dbraw/zinc/71/02/46/451710246.db2.gz AYMDKBJGVJLHBP-OALUTQOASA-N 1 3 345.487 1.926 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000638924855 451737280 /nfs/dbraw/zinc/73/72/80/451737280.db2.gz HBTWCJBTMSNELJ-HDICACEKSA-N 1 3 342.487 1.793 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@H](N)C(C)(C)C)nn2)CC1 ZINC000641046768 451741195 /nfs/dbraw/zinc/74/11/95/451741195.db2.gz DYCNNFRYYUAUNN-INIZCTEOSA-N 1 3 336.484 1.313 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266451 451775020 /nfs/dbraw/zinc/77/50/20/451775020.db2.gz YGAMZQCWWUHJRC-ZVDSWSACSA-N 1 3 328.501 1.370 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266451 451775022 /nfs/dbraw/zinc/77/50/22/451775022.db2.gz YGAMZQCWWUHJRC-ZVDSWSACSA-N 1 3 328.501 1.370 20 0 EDADHO CN([C@@H](c1nccn1C)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172010 451784368 /nfs/dbraw/zinc/78/43/68/451784368.db2.gz FYRFFMRJYADOFI-ZWKOTPCHSA-N 1 3 331.508 1.972 20 0 EDADHO O[C@@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230361 451791193 /nfs/dbraw/zinc/79/11/93/451791193.db2.gz PWYOUXKELWMHHP-MJGOQNOKSA-N 1 3 341.459 1.382 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](n2cncn2)C(F)(F)F)CC1 ZINC000639381730 451858442 /nfs/dbraw/zinc/85/84/42/451858442.db2.gz QMAZTDDIYGNNDB-GFCCVEGCSA-N 1 3 335.374 1.206 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000649134120 451868063 /nfs/dbraw/zinc/86/80/63/451868063.db2.gz NBGGDKFCCQIHJF-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000646847547 451885655 /nfs/dbraw/zinc/88/56/55/451885655.db2.gz ABCGEVMALPJZEC-CRAIPNDOSA-N 1 3 331.460 1.473 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 ZINC000646851746 451888858 /nfs/dbraw/zinc/88/88/58/451888858.db2.gz ZZWHLKOFKMIVDP-ZVZYQTTQSA-N 1 3 349.450 1.612 20 0 EDADHO C[N@H+](CCCNC(=O)[C@@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000649281495 451954006 /nfs/dbraw/zinc/95/40/06/451954006.db2.gz NMEYJPHEMLVWIC-HNNXBMFYSA-N 1 3 325.403 1.870 20 0 EDADHO C[N@@H+](CCCNC(=O)[C@@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000649281495 451954009 /nfs/dbraw/zinc/95/40/09/451954009.db2.gz NMEYJPHEMLVWIC-HNNXBMFYSA-N 1 3 325.403 1.870 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000649282836 451956482 /nfs/dbraw/zinc/95/64/82/451956482.db2.gz KNWBENWEKAMQRN-BGTYHANMSA-N 1 3 331.460 1.945 20 0 EDADHO COCCC1(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293135 451969898 /nfs/dbraw/zinc/96/98/98/451969898.db2.gz AHKPDMPGQJGVHI-CVEARBPZSA-N 1 3 325.497 1.629 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@@]1(N)CCN(C)C1)Cc1ccccc1 ZINC000649292628 451969440 /nfs/dbraw/zinc/96/94/40/451969440.db2.gz UFAITNCIPJBGII-PKOBYXMFSA-N 1 3 332.492 1.089 20 0 EDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000649298915 451975828 /nfs/dbraw/zinc/97/58/28/451975828.db2.gz KCISIMZDODUEBF-INIZCTEOSA-N 1 3 340.512 1.153 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308869 451987158 /nfs/dbraw/zinc/98/71/58/451987158.db2.gz DIKZHSNGLDTSBC-LSDHHAIUSA-N 1 3 337.489 1.312 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000649315813 451995209 /nfs/dbraw/zinc/99/52/09/451995209.db2.gz PPCRUFZOYOJAGL-KRWDZBQOSA-N 1 3 331.460 1.827 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000649321885 451999502 /nfs/dbraw/zinc/99/95/02/451999502.db2.gz SYJAHHKXOGWMKV-HQRMLTQVSA-N 1 3 345.487 1.924 20 0 EDADHO Cc1ncc(CNC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000639654261 452001981 /nfs/dbraw/zinc/00/19/81/452001981.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 1 3 336.505 1.876 20 0 EDADHO Cc1ncc(CNC(=O)CCN2CC[C@]3(C2)CCC[N@H+](C)C3)s1 ZINC000639654261 452001987 /nfs/dbraw/zinc/00/19/87/452001987.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 1 3 336.505 1.876 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000649330074 452012242 /nfs/dbraw/zinc/01/22/42/452012242.db2.gz UXWGQPLXQAMQMG-FUHWJXTLSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000649330074 452012246 /nfs/dbraw/zinc/01/22/46/452012246.db2.gz UXWGQPLXQAMQMG-FUHWJXTLSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@H]1CN(CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000653572822 452022191 /nfs/dbraw/zinc/02/21/91/452022191.db2.gz CESKRAAADMIGQE-KRWDZBQOSA-N 1 3 344.507 1.725 20 0 EDADHO C[C@H]1C[N@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000653572822 452022197 /nfs/dbraw/zinc/02/21/97/452022197.db2.gz CESKRAAADMIGQE-KRWDZBQOSA-N 1 3 344.507 1.725 20 0 EDADHO C[C@H]1C[N@@H+](CCCc2cncn2C)CCN1CCCc1cncn1C ZINC000653572822 452022205 /nfs/dbraw/zinc/02/22/05/452022205.db2.gz CESKRAAADMIGQE-KRWDZBQOSA-N 1 3 344.507 1.725 20 0 EDADHO CC(C)c1cnc(CN(C)[C@H]2CCN(CCN3CC[NH2+]CC3)C2)o1 ZINC000649414299 452077002 /nfs/dbraw/zinc/07/70/02/452077002.db2.gz RQIFPKGPQBBAAS-INIZCTEOSA-N 1 3 335.496 1.209 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C[C@@H](C)N1 ZINC000637840099 452110580 /nfs/dbraw/zinc/11/05/80/452110580.db2.gz NLUCRUNZMWCVQZ-CHWSQXEVSA-N 1 3 345.447 1.126 20 0 EDADHO CN(C)c1ncc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647248756 452143787 /nfs/dbraw/zinc/14/37/87/452143787.db2.gz AQFOSRURJZYUQH-MSOLQXFVSA-N 1 3 325.460 1.978 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000645204465 452209033 /nfs/dbraw/zinc/20/90/33/452209033.db2.gz CZZVKSWEJKJXKF-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000645204465 452209037 /nfs/dbraw/zinc/20/90/37/452209037.db2.gz CZZVKSWEJKJXKF-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443046 452290820 /nfs/dbraw/zinc/29/08/20/452290820.db2.gz WYLDUAFQLFQYLO-CKXIEVRYSA-N 1 3 328.460 1.955 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000652117874 452314830 /nfs/dbraw/zinc/31/48/30/452314830.db2.gz AFJQOYJWCQNTGM-BRWVUGGUSA-N 1 3 334.464 1.295 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330199 /nfs/dbraw/zinc/33/01/99/452330199.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 1 3 341.544 1.383 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000638057892 452344800 /nfs/dbraw/zinc/34/48/00/452344800.db2.gz DAURREITVGOSKX-IBGZPJMESA-N 1 3 344.503 1.533 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000638057892 452344811 /nfs/dbraw/zinc/34/48/11/452344811.db2.gz DAURREITVGOSKX-IBGZPJMESA-N 1 3 344.503 1.533 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000665764120 452348819 /nfs/dbraw/zinc/34/88/19/452348819.db2.gz VJAIQSGAJZDEIV-HNNXBMFYSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000665764120 452348827 /nfs/dbraw/zinc/34/88/27/452348827.db2.gz VJAIQSGAJZDEIV-HNNXBMFYSA-N 1 3 340.512 1.205 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000638062345 452357216 /nfs/dbraw/zinc/35/72/16/452357216.db2.gz FMRNZISYWQCNTA-WMZOPIPTSA-N 1 3 335.448 1.010 20 0 EDADHO [NH3+]C[C@]1(C(=O)NCCCN2CCc3ccccc3C2)CCCOC1 ZINC000638068547 452373331 /nfs/dbraw/zinc/37/33/31/452373331.db2.gz CMMLBGAENQNRQQ-LJQANCHMSA-N 1 3 331.460 1.307 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638070801 452378589 /nfs/dbraw/zinc/37/85/89/452378589.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 1 3 332.492 1.246 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638070801 452378598 /nfs/dbraw/zinc/37/85/98/452378598.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 1 3 332.492 1.246 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659522246 452387522 /nfs/dbraw/zinc/38/75/22/452387522.db2.gz JGJMMIBPZCOVIG-QGZVFWFLSA-N 1 3 348.491 1.570 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638079954 452394430 /nfs/dbraw/zinc/39/44/30/452394430.db2.gz JZOMAMHAHBRUFM-LJQANCHMSA-N 1 3 346.519 1.684 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659566334 452422142 /nfs/dbraw/zinc/42/21/42/452422142.db2.gz JPQMDHCWFLJEAR-QZTJIDSGSA-N 1 3 345.491 1.863 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567692 452423553 /nfs/dbraw/zinc/42/35/53/452423553.db2.gz YAJJCUIFGGGBHQ-SFHVURJKSA-N 1 3 345.491 1.687 20 0 EDADHO [NH3+]CC1(CCNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000652240579 452427505 /nfs/dbraw/zinc/42/75/05/452427505.db2.gz HLRJNPOSHSMUOE-LJQANCHMSA-N 1 3 346.475 1.052 20 0 EDADHO CCCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645474756 452445491 /nfs/dbraw/zinc/44/54/91/452445491.db2.gz NXIPZIUDXSIQQF-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CCCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645474756 452445501 /nfs/dbraw/zinc/44/55/01/452445501.db2.gz NXIPZIUDXSIQQF-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)NCc3ccc(C[NH3+])cc3F)C2)C1 ZINC000652269637 452457258 /nfs/dbraw/zinc/45/72/58/452457258.db2.gz ADNHCMYZUKNIGH-GOSISDBHSA-N 1 3 334.439 1.912 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@H]21 ZINC000659608316 452463429 /nfs/dbraw/zinc/46/34/29/452463429.db2.gz MQHXTPBMRRWYOI-XLNGHYISSA-N 1 3 336.480 1.009 20 0 EDADHO O=C(NCCC1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000652313818 452488456 /nfs/dbraw/zinc/48/84/56/452488456.db2.gz KFCHYRGKABDQBB-UHFFFAOYSA-N 1 3 338.496 1.130 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000655680959 452505487 /nfs/dbraw/zinc/50/54/87/452505487.db2.gz QSVPRIAZUOAZDW-HZPDHXFCSA-N 1 3 326.485 1.007 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000659705987 452596510 /nfs/dbraw/zinc/59/65/10/452596510.db2.gz BHLWSEBNEYCRBD-GJZGRUSLSA-N 1 3 346.475 1.052 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H](N2CCCC2)C1 ZINC000645634862 452637638 /nfs/dbraw/zinc/63/76/38/452637638.db2.gz FLNVNFUGOTYTJB-IRXDYDNUSA-N 1 3 331.464 1.508 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907211 452664685 /nfs/dbraw/zinc/66/46/85/452664685.db2.gz DMXOKGVCMQDMOD-DLBZAZTESA-N 1 3 329.448 1.866 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907211 452664689 /nfs/dbraw/zinc/66/46/89/452664689.db2.gz DMXOKGVCMQDMOD-DLBZAZTESA-N 1 3 329.448 1.866 20 0 EDADHO CC[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000647934455 452675735 /nfs/dbraw/zinc/67/57/35/452675735.db2.gz GFXSNYMLWUJZOH-KBAYOESNSA-N 1 3 332.492 1.465 20 0 EDADHO COCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCOCC1 ZINC000647952059 452694208 /nfs/dbraw/zinc/69/42/08/452694208.db2.gz KOHSYFWBVOQJPY-QGZVFWFLSA-N 1 3 349.475 1.191 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000655927269 452695204 /nfs/dbraw/zinc/69/52/04/452695204.db2.gz HAMPLORDNZCHDG-BNOWGMLFSA-N 1 3 344.381 1.838 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976156 452721027 /nfs/dbraw/zinc/72/10/27/452721027.db2.gz KZXMXZOFZBZTPD-KBPBESRZSA-N 1 3 347.488 1.671 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758955 452890494 /nfs/dbraw/zinc/89/04/94/452890494.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 1 3 331.460 1.345 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758955 452890500 /nfs/dbraw/zinc/89/05/00/452890500.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 1 3 331.460 1.345 20 0 EDADHO NC1(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)Cc2ccccc2C1 ZINC000648178175 452892447 /nfs/dbraw/zinc/89/24/47/452892447.db2.gz YBZXJUZUONFYHP-ROUUACIJSA-N 1 3 343.471 1.228 20 0 EDADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000662310046 453028381 /nfs/dbraw/zinc/02/83/81/453028381.db2.gz GOTJUILLJMBLNX-RDJZCZTQSA-N 1 3 337.489 1.892 20 0 EDADHO O=C1CCCN1CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328653 453048491 /nfs/dbraw/zinc/04/84/91/453048491.db2.gz SQEFMNIKQHLQCL-UHFFFAOYSA-N 1 3 345.491 1.679 20 0 EDADHO O=C1CCCN1CCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328653 453048499 /nfs/dbraw/zinc/04/84/99/453048499.db2.gz SQEFMNIKQHLQCL-UHFFFAOYSA-N 1 3 345.491 1.679 20 0 EDADHO CCc1nocc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337225 453052823 /nfs/dbraw/zinc/05/28/23/453052823.db2.gz KHIOMGHXLZMIKZ-CQSZACIVSA-N 1 3 344.463 1.749 20 0 EDADHO [NH3+]CC1(CC(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000646112622 453118705 /nfs/dbraw/zinc/11/87/05/453118705.db2.gz SJFVYUWRHBSKBW-UHFFFAOYSA-N 1 3 331.460 1.389 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139634 453149107 /nfs/dbraw/zinc/14/91/07/453149107.db2.gz JCOQXBIARLBOKH-VYDXJSESSA-N 1 3 343.537 1.100 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442785 453150159 /nfs/dbraw/zinc/15/01/59/453150159.db2.gz YFNJCTHWJJHZLE-QZTJIDSGSA-N 1 3 345.487 1.906 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662445654 453152360 /nfs/dbraw/zinc/15/23/60/453152360.db2.gz UHQQWSAOAYRYLL-ZDUSSCGKSA-N 1 3 330.436 1.096 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(CN)c1)C(C)C ZINC000666845941 453185503 /nfs/dbraw/zinc/18/55/03/453185503.db2.gz IAIQUXOHEMRAKP-UHFFFAOYSA-N 1 3 334.464 1.709 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000646186653 453200210 /nfs/dbraw/zinc/20/02/10/453200210.db2.gz DIJZKNQMZSGSMZ-CVEARBPZSA-N 1 3 348.495 1.019 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000666923265 453248570 /nfs/dbraw/zinc/24/85/70/453248570.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)C1 ZINC000666923265 453248575 /nfs/dbraw/zinc/24/85/75/453248575.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000648781959 453265801 /nfs/dbraw/zinc/26/58/01/453265801.db2.gz HWZYFJJQMHYKTI-QGZVFWFLSA-N 1 3 349.523 1.931 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000648781959 453265804 /nfs/dbraw/zinc/26/58/04/453265804.db2.gz HWZYFJJQMHYKTI-QGZVFWFLSA-N 1 3 349.523 1.931 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H](N)CC[NH+](C)C)c2ccccc2)CC1 ZINC000653112230 453298177 /nfs/dbraw/zinc/29/81/77/453298177.db2.gz RQOBQIQFYZCSFY-RTBURBONSA-N 1 3 346.519 1.855 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683605 453403657 /nfs/dbraw/zinc/40/36/57/453403657.db2.gz QPTSGBYWQWBPDA-QGZVFWFLSA-N 1 3 331.460 1.970 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709516 453432438 /nfs/dbraw/zinc/43/24/38/453432438.db2.gz SLXRCDLAQUQZOL-IAGOWNOFSA-N 1 3 335.423 1.238 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667151811 453441486 /nfs/dbraw/zinc/44/14/86/453441486.db2.gz XGKGVAGJCSTVAJ-UHFFFAOYSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000667156084 453444010 /nfs/dbraw/zinc/44/40/10/453444010.db2.gz SOLFKUHHGSZKKB-UHFFFAOYSA-N 1 3 344.463 1.480 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000646602804 453505089 /nfs/dbraw/zinc/50/50/89/453505089.db2.gz CTYQUQMBQLUWKI-QMYADUOMSA-N 1 3 347.459 1.344 20 0 EDADHO CCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692345 453517910 /nfs/dbraw/zinc/51/79/10/453517910.db2.gz OTYSJQNMMHQKIM-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO O=C(Nc1ccc2c(c1)CNC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662785362 453519579 /nfs/dbraw/zinc/51/95/79/453519579.db2.gz OZFQBRCLENVITM-HNNXBMFYSA-N 1 3 326.404 1.448 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703647 453528703 /nfs/dbraw/zinc/52/87/03/453528703.db2.gz FTQKZAMYWDYELU-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000660705600 453533099 /nfs/dbraw/zinc/53/30/99/453533099.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000660705600 453533102 /nfs/dbraw/zinc/53/31/02/453533102.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CCOCC1 ZINC000660711095 453540323 /nfs/dbraw/zinc/54/03/23/453540323.db2.gz URHCDEKZJPEXQV-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860704 453576919 /nfs/dbraw/zinc/57/69/19/453576919.db2.gz ULMWNAADZQMGRC-MSOLQXFVSA-N 1 3 347.503 1.894 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000659026200 453587034 /nfs/dbraw/zinc/58/70/34/453587034.db2.gz ZHZGYZKGAJOHLA-KRWDZBQOSA-N 1 3 332.448 1.829 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[C@H]2C1 ZINC000659038292 453594053 /nfs/dbraw/zinc/59/40/53/453594053.db2.gz OHRXRROWDKBQOZ-JLSDUUJJSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)[C@H]2C1 ZINC000659038292 453594056 /nfs/dbraw/zinc/59/40/56/453594056.db2.gz OHRXRROWDKBQOZ-JLSDUUJJSA-N 1 3 344.459 1.905 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H](N)c1ccccc1 ZINC000662972753 453630602 /nfs/dbraw/zinc/63/06/02/453630602.db2.gz LFIZDAAYGSPGSL-SZMVWBNQSA-N 1 3 333.476 1.892 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000663404002 453790476 /nfs/dbraw/zinc/79/04/76/453790476.db2.gz STKLQMJRPCDROW-ZDUSSCGKSA-N 1 3 335.452 1.179 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000663404002 453790479 /nfs/dbraw/zinc/79/04/79/453790479.db2.gz STKLQMJRPCDROW-ZDUSSCGKSA-N 1 3 335.452 1.179 20 0 EDADHO CC[N@H+](CCOc1ccccc1OC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000663504485 453811810 /nfs/dbraw/zinc/81/18/10/453811810.db2.gz YTTSPYWCPWYJHJ-MRXNPFEDSA-N 1 3 349.475 1.593 20 0 EDADHO CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000663504485 453811812 /nfs/dbraw/zinc/81/18/12/453811812.db2.gz YTTSPYWCPWYJHJ-MRXNPFEDSA-N 1 3 349.475 1.593 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480860 486711600 /nfs/dbraw/zinc/71/16/00/486711600.db2.gz BHFYGUWMLHPUFC-DLBZAZTESA-N 1 3 330.476 1.585 20 0 EDADHO N[C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480860 486711603 /nfs/dbraw/zinc/71/16/03/486711603.db2.gz BHFYGUWMLHPUFC-DLBZAZTESA-N 1 3 330.476 1.585 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414769496 486730918 /nfs/dbraw/zinc/73/09/18/486730918.db2.gz WQUWXEUASZMEOY-ZDUSSCGKSA-N 1 3 332.448 1.117 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271319 486776026 /nfs/dbraw/zinc/77/60/26/486776026.db2.gz HVMJMMJLKYSCIO-MFNRNEDNSA-N 1 3 343.537 1.699 20 0 EDADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271319 486776030 /nfs/dbraw/zinc/77/60/30/486776030.db2.gz HVMJMMJLKYSCIO-MFNRNEDNSA-N 1 3 343.537 1.699 20 0 EDADHO CCc1nn(C)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680483758 486788630 /nfs/dbraw/zinc/78/86/30/486788630.db2.gz QSMIPVIEBHDWPR-UHFFFAOYSA-N 1 3 333.524 1.832 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534953 486800001 /nfs/dbraw/zinc/80/00/01/486800001.db2.gz AYPDANCVLGFSHD-KGLIPLIRSA-N 1 3 326.485 1.445 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1CN(C)C ZINC000667538676 486832079 /nfs/dbraw/zinc/83/20/79/486832079.db2.gz JZUWXKWMELSCGQ-YOEHRIQHSA-N 1 3 344.459 1.206 20 0 EDADHO CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000667550673 486841154 /nfs/dbraw/zinc/84/11/54/486841154.db2.gz QXMQQZYDELIZDO-GDBMZVCRSA-N 1 3 332.448 1.273 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnc2c(c1)CNCC2 ZINC000667804595 486974100 /nfs/dbraw/zinc/97/41/00/486974100.db2.gz GPMHNYUQXGDLSX-UHFFFAOYSA-N 1 3 329.448 1.723 20 0 EDADHO CCc1c[nH]c(=O)c(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000667812087 486976523 /nfs/dbraw/zinc/97/65/23/486976523.db2.gz DHWQYBQUKRQRHK-INIZCTEOSA-N 1 3 348.491 1.838 20 0 EDADHO CCc1c[nH]c(=O)c(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000667812087 486976528 /nfs/dbraw/zinc/97/65/28/486976528.db2.gz DHWQYBQUKRQRHK-INIZCTEOSA-N 1 3 348.491 1.838 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000684687315 487137751 /nfs/dbraw/zinc/13/77/51/487137751.db2.gz JONHNXHNVKMOPI-UHFFFAOYSA-N 1 3 334.468 1.583 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@@H](C)C1 ZINC000675624431 487429651 /nfs/dbraw/zinc/42/96/51/487429651.db2.gz QVWJCRAPTNHVNY-HOCLYGCPSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@@H](C)C1 ZINC000675624431 487429652 /nfs/dbraw/zinc/42/96/52/487429652.db2.gz QVWJCRAPTNHVNY-HOCLYGCPSA-N 1 3 336.484 1.639 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942717 485476305 /nfs/dbraw/zinc/47/63/05/485476305.db2.gz MFEZOEOXCQWOSF-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO O=C(NCCC1=CC[NH2+]CC1)NCC1CCN(c2ccncc2)CC1 ZINC000669550939 485544493 /nfs/dbraw/zinc/54/44/93/485544493.db2.gz MSFUXOJAHAQZNW-UHFFFAOYSA-N 1 3 343.475 1.907 20 0 EDADHO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000672947045 485742127 /nfs/dbraw/zinc/74/21/27/485742127.db2.gz RKRFQPGPNNZBMN-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])N2CCCC2)cc1 ZINC000668592648 485928449 /nfs/dbraw/zinc/92/84/49/485928449.db2.gz KOGRUZYWUQXKPB-YATRRXNKSA-N 1 3 332.448 1.646 20 0 EDADHO CN(CCN1CCN(C(=O)CC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000237135861 485954151 /nfs/dbraw/zinc/95/41/51/485954151.db2.gz HGOWKPYYIZBBDN-UHFFFAOYSA-N 1 3 332.492 1.390 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388797 486024400 /nfs/dbraw/zinc/02/44/00/486024400.db2.gz QLHBNOZVFVVXAR-SJORKVTESA-N 1 3 340.512 1.376 20 0 EDADHO CC(C)(CNC(=O)NCC[NH2+]C1CC1)N1CCc2ccccc2C1 ZINC000669389288 486024964 /nfs/dbraw/zinc/02/49/64/486024964.db2.gz USBBBYLWRCJDLH-UHFFFAOYSA-N 1 3 330.476 1.875 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491292 486263754 /nfs/dbraw/zinc/26/37/54/486263754.db2.gz SYPBIIBIKNQTLO-GOSISDBHSA-N 1 3 330.476 1.684 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491343 486263838 /nfs/dbraw/zinc/26/38/38/486263838.db2.gz WBXISBVEENIEDG-OKZBNKHCSA-N 1 3 334.508 1.892 20 0 EDADHO CN(CCN1CCOCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092974979 491205274 /nfs/dbraw/zinc/20/52/74/491205274.db2.gz JZDNLSDPWFDUQU-UHFFFAOYSA-N 1 3 347.503 1.925 20 0 EDADHO COC1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000262897197 536541996 /nfs/dbraw/zinc/54/19/96/536541996.db2.gz BACMOSBVAAKHFV-UHFFFAOYSA-N 1 3 331.338 1.871 20 0 EDADHO CC(C)([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262660674 535196378 /nfs/dbraw/zinc/19/63/78/535196378.db2.gz XLAKWHYNGUKKCZ-UHFFFAOYSA-N 1 3 332.492 1.438 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340173029 535871496 /nfs/dbraw/zinc/87/14/96/535871496.db2.gz FGZLUEJDUHXNAG-UHFFFAOYSA-N 1 3 345.553 1.205 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000735648553 578908141 /nfs/dbraw/zinc/90/81/41/578908141.db2.gz DZSJOGNFBJOQRR-UHFFFAOYSA-N 1 3 338.540 1.739 20 0 EDADHO C[NH+](C)CC1CC[NH+](CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736758081 579017959 /nfs/dbraw/zinc/01/79/59/579017959.db2.gz CTGOCLXXESBJPC-UHFFFAOYSA-N 1 3 330.436 1.519 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCCN(C(=O)OC)C2)[C@@H](C)C1 ZINC000765631613 580146862 /nfs/dbraw/zinc/14/68/62/580146862.db2.gz SVRONHQUYRVLPU-ULQDDVLXSA-N 1 3 341.496 1.944 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCCN(C(=O)OC)C2)[C@@H](C)C1 ZINC000765631613 580146863 /nfs/dbraw/zinc/14/68/63/580146863.db2.gz SVRONHQUYRVLPU-ULQDDVLXSA-N 1 3 341.496 1.944 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000776513302 580419002 /nfs/dbraw/zinc/41/90/02/580419002.db2.gz MVPLOLDKVKRTQZ-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCOC1 ZINC000793328789 580842220 /nfs/dbraw/zinc/84/22/20/580842220.db2.gz FRAVYHINGGJGSJ-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H]1CCCOC1 ZINC000793328789 580842221 /nfs/dbraw/zinc/84/22/21/580842221.db2.gz FRAVYHINGGJGSJ-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000891865618 590661488 /nfs/dbraw/zinc/66/14/88/590661488.db2.gz RGJQZZMFAVQWKU-JPEVCHLBSA-N 1 3 348.413 1.828 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1c1ccncc1 ZINC000892060437 590778948 /nfs/dbraw/zinc/77/89/48/590778948.db2.gz PNCHCIQNRJSOCZ-QAPCUYQASA-N 1 3 331.464 1.691 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893328039 590782446 /nfs/dbraw/zinc/78/24/46/590782446.db2.gz RRMOXBCZTMYEJK-CVEARBPZSA-N 1 3 329.460 1.237 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095939 590795898 /nfs/dbraw/zinc/79/58/98/590795898.db2.gz ZBWKZMULPBZVLU-RYQLBKOJSA-N 1 3 330.476 1.867 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000892117958 590808488 /nfs/dbraw/zinc/80/84/88/590808488.db2.gz BAZBWUNVSJLNDL-DOTOQJQBSA-N 1 3 330.476 1.951 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000893398226 590842897 /nfs/dbraw/zinc/84/28/97/590842897.db2.gz HXNIXWZMUZNKMY-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000893398226 590842899 /nfs/dbraw/zinc/84/28/99/590842899.db2.gz HXNIXWZMUZNKMY-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO COCCOC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000892397660 591010552 /nfs/dbraw/zinc/01/05/52/591010552.db2.gz OJZJVVLZGVYIHZ-MRXNPFEDSA-N 1 3 336.476 1.784 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620507 591013603 /nfs/dbraw/zinc/01/36/03/591013603.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620507 591013607 /nfs/dbraw/zinc/01/36/07/591013607.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 1 3 342.487 1.852 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892457717 591034139 /nfs/dbraw/zinc/03/41/39/591034139.db2.gz MOSFPQGKGNUMHR-URSIVYNOSA-N 1 3 346.475 1.963 20 0 EDADHO CC[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)N1CCc2ccccc2C1 ZINC000891349500 591054349 /nfs/dbraw/zinc/05/43/49/591054349.db2.gz XLQJKCURBLJUNV-BMGDILEWSA-N 1 3 330.476 1.954 20 0 EDADHO CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCCN(C)C1 ZINC000893742929 591072940 /nfs/dbraw/zinc/07/29/40/591072940.db2.gz MZYCROINRMLWMW-GVDBMIGSSA-N 1 3 338.496 1.100 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000893868434 591121222 /nfs/dbraw/zinc/12/12/22/591121222.db2.gz XTRXAKVIABULNW-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000891597097 591142094 /nfs/dbraw/zinc/14/20/94/591142094.db2.gz JFFAEVZVJGSGRL-CALCHBBNSA-N 1 3 328.460 1.231 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891634153 591160035 /nfs/dbraw/zinc/16/00/35/591160035.db2.gz MRSQZCDXXUAIOU-SJLPKXTDSA-N 1 3 338.496 1.460 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891634154 591160201 /nfs/dbraw/zinc/16/02/01/591160201.db2.gz MRSQZCDXXUAIOU-WMZOPIPTSA-N 1 3 338.496 1.460 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000892923841 591226774 /nfs/dbraw/zinc/22/67/74/591226774.db2.gz NRGHEPNIPLNLEK-OAHLLOKOSA-N 1 3 326.485 1.352 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2csc(C(=O)OC)c2)CC1 ZINC000894237736 591240517 /nfs/dbraw/zinc/24/05/17/591240517.db2.gz NETSKNSCVOTUNA-CQSZACIVSA-N 1 3 339.505 1.898 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000894346230 591285241 /nfs/dbraw/zinc/28/52/41/591285241.db2.gz STPGMAVUNWPYIL-ROUUACIJSA-N 1 3 330.476 1.636 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CN(C2CCOCC2)C1 ZINC000896035461 591325780 /nfs/dbraw/zinc/32/57/80/591325780.db2.gz BMCSBEWMLQMSBB-UHFFFAOYSA-N 1 3 345.487 1.817 20 0 EDADHO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000898120940 591788664 /nfs/dbraw/zinc/78/86/64/591788664.db2.gz DLKZTRFMBNXKNX-XHSDSOJGSA-N 1 3 337.508 1.601 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000895535624 591795018 /nfs/dbraw/zinc/79/50/18/591795018.db2.gz AYYMHRYZQJPWQB-QGZVFWFLSA-N 1 3 340.508 1.787 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952033 /nfs/dbraw/zinc/95/20/33/591952033.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952034 /nfs/dbraw/zinc/95/20/34/591952034.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782913 592061986 /nfs/dbraw/zinc/06/19/86/592061986.db2.gz SHPOXMZZEJLTOH-CENDIDJXSA-N 1 3 333.520 1.948 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903074213 592119776 /nfs/dbraw/zinc/11/97/76/592119776.db2.gz MWGAHBNLLFWPQZ-UXHICEINSA-N 1 3 345.487 1.472 20 0 EDADHO CC[C@@H](C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000900840359 592143723 /nfs/dbraw/zinc/14/37/23/592143723.db2.gz KCNHRIIOWACNFX-UGUYLWEFSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@@H](C(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000900840359 592143725 /nfs/dbraw/zinc/14/37/25/592143725.db2.gz KCNHRIIOWACNFX-UGUYLWEFSA-N 1 3 340.512 1.068 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000903442649 592172621 /nfs/dbraw/zinc/17/26/21/592172621.db2.gz WDAWBJROCYRAJN-FUHWJXTLSA-N 1 3 342.487 1.321 20 0 EDADHO Cc1ccccc1NC(=O)CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521814 592196772 /nfs/dbraw/zinc/19/67/72/592196772.db2.gz ILUZOMGVBQJWRC-APWZRJJASA-N 1 3 344.459 1.170 20 0 EDADHO COC(=O)c1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903525349 592197937 /nfs/dbraw/zinc/19/79/37/592197937.db2.gz FUBGSIKYFPSIGF-AEFFLSMTSA-N 1 3 345.443 1.210 20 0 EDADHO CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901074273 592224045 /nfs/dbraw/zinc/22/40/45/592224045.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 1 3 345.487 1.566 20 0 EDADHO CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901074273 592224047 /nfs/dbraw/zinc/22/40/47/592224047.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 1 3 345.487 1.566 20 0 EDADHO C[NH+](C)CCn1nccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000901105201 592247141 /nfs/dbraw/zinc/24/71/41/592247141.db2.gz DDCQVHMORBRCFO-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)C2CN(C)CCN(C)C2)CC1 ZINC000906670515 592251561 /nfs/dbraw/zinc/25/15/61/592251561.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 1 3 338.540 1.450 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2CN(C)CCN(C)C2)CC1 ZINC000906670515 592251565 /nfs/dbraw/zinc/25/15/65/592251565.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 1 3 338.540 1.450 20 0 EDADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000906679073 592259847 /nfs/dbraw/zinc/25/98/47/592259847.db2.gz SKDQJXOXVYHNKK-HOTGVXAUSA-N 1 3 330.432 1.217 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000906679548 592261154 /nfs/dbraw/zinc/26/11/54/592261154.db2.gz ULEOIWVMLRYOTM-OAHLLOKOSA-N 1 3 346.475 1.808 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3CN)CC[C@H]21 ZINC000906658499 592268152 /nfs/dbraw/zinc/26/81/52/592268152.db2.gz INPAGLCYBJBJTP-GOEBONIOSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3CN)CC[C@H]21 ZINC000906658499 592268154 /nfs/dbraw/zinc/26/81/54/592268154.db2.gz INPAGLCYBJBJTP-GOEBONIOSA-N 1 3 330.432 1.027 20 0 EDADHO Cc1ccnc(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)n1 ZINC000904473492 592268582 /nfs/dbraw/zinc/26/85/82/592268582.db2.gz SFGNGWRVEGQAGG-HNNXBMFYSA-N 1 3 331.464 1.162 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000904501415 592272333 /nfs/dbraw/zinc/27/23/33/592272333.db2.gz YVKMEBVGASPCQV-IAGOWNOFSA-N 1 3 348.447 1.087 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000904530490 592280380 /nfs/dbraw/zinc/28/03/80/592280380.db2.gz NDQWCKONHRSBIX-XWTMOSNGSA-N 1 3 344.459 1.564 20 0 EDADHO O=C1[C@H]2CN(C[C@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767233 592309655 /nfs/dbraw/zinc/30/96/55/592309655.db2.gz FYCXHDBUNLOUHE-OKZBNKHCSA-N 1 3 341.455 1.493 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791159 592316462 /nfs/dbraw/zinc/31/64/62/592316462.db2.gz PHXBBXKYGGJKEW-UHFFFAOYSA-N 1 3 339.505 1.792 20 0 EDADHO Cc1cc(=O)oc2cc(OCC[N@@H+](C)C3(CN)CCOCC3)ccc12 ZINC000903810078 592331228 /nfs/dbraw/zinc/33/12/28/592331228.db2.gz VGHKDWZYDCGUIJ-UHFFFAOYSA-N 1 3 346.427 1.920 20 0 EDADHO Cc1cc(=O)oc2cc(OCC[N@H+](C)C3(CN)CCOCC3)ccc12 ZINC000903810078 592331232 /nfs/dbraw/zinc/33/12/32/592331232.db2.gz VGHKDWZYDCGUIJ-UHFFFAOYSA-N 1 3 346.427 1.920 20 0 EDADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)NC1CCCCC1 ZINC000903892499 592366393 /nfs/dbraw/zinc/36/63/93/592366393.db2.gz TYPPFXXIISIBTK-JLYLLQBASA-N 1 3 348.535 1.584 20 0 EDADHO Cc1cnn(CC2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903904058 592371382 /nfs/dbraw/zinc/37/13/82/592371382.db2.gz ONSDIBIFYJUNOA-GOSISDBHSA-N 1 3 344.507 1.763 20 0 EDADHO Cc1cc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n2ncnc2n1 ZINC000903919257 592377384 /nfs/dbraw/zinc/37/73/84/592377384.db2.gz LJLDBEMOWCHIRS-MQVJKMGUSA-N 1 3 341.463 1.085 20 0 EDADHO CC(C)CC(=O)N1CCC(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903924900 592379614 /nfs/dbraw/zinc/37/96/14/592379614.db2.gz JSBYXTYOAVZDQZ-MRXNPFEDSA-N 1 3 348.495 1.329 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNC[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000903925284 592379921 /nfs/dbraw/zinc/37/99/21/592379921.db2.gz DHTWVPQJUYANAN-LPHOPBHVSA-N 1 3 329.492 1.738 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905026997 592385471 /nfs/dbraw/zinc/38/54/71/592385471.db2.gz OXMVHBDLPFRHND-OALUTQOASA-N 1 3 336.476 1.520 20 0 EDADHO CCOc1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1OC ZINC000903978795 592400534 /nfs/dbraw/zinc/40/05/34/592400534.db2.gz MMEAFLGMYGYOJN-KHYOSLBOSA-N 1 3 348.443 1.806 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967511 592402260 /nfs/dbraw/zinc/40/22/60/592402260.db2.gz KDWQNIRSPFUZPS-YCPHGPKFSA-N 1 3 339.480 1.012 20 0 EDADHO C[C@]1(CNC[C@@H](O)C[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244005 592474729 /nfs/dbraw/zinc/47/47/29/592474729.db2.gz OEIZNTACRZHBOR-XUVXKRRUSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@@H](O)C[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244005 592474733 /nfs/dbraw/zinc/47/47/33/592474733.db2.gz OEIZNTACRZHBOR-XUVXKRRUSA-N 1 3 348.487 1.391 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905294938 592487390 /nfs/dbraw/zinc/48/73/90/592487390.db2.gz NAVJRPWOCVBGLM-OALUTQOASA-N 1 3 335.492 1.087 20 0 EDADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000905496383 592553534 /nfs/dbraw/zinc/55/35/34/592553534.db2.gz SIFFGWKUSAKWPK-DZVNLGKHSA-N 1 3 328.497 1.233 20 0 EDADHO C[C@H]1CN(C(=S)NCC2CC[NH+](C)CC2)CCN1c1ccncc1 ZINC000905522579 592560436 /nfs/dbraw/zinc/56/04/36/592560436.db2.gz JNLFZPJZMPIYKP-HNNXBMFYSA-N 1 3 347.532 1.808 20 0 EDADHO Nc1nc2c(c(N3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)n1)CCCC2 ZINC000905700325 592613988 /nfs/dbraw/zinc/61/39/88/592613988.db2.gz FTBNUYZKGBETSB-GASCZTMLSA-N 1 3 342.491 1.343 20 0 EDADHO Nc1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)n1)CCCC2 ZINC000905700325 592613990 /nfs/dbraw/zinc/61/39/90/592613990.db2.gz FTBNUYZKGBETSB-GASCZTMLSA-N 1 3 342.491 1.343 20 0 EDADHO Nc1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)n1)CCCC2 ZINC000905700325 592613992 /nfs/dbraw/zinc/61/39/92/592613992.db2.gz FTBNUYZKGBETSB-GASCZTMLSA-N 1 3 342.491 1.343 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000907755365 592778840 /nfs/dbraw/zinc/77/88/40/592778840.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000907755365 592778841 /nfs/dbraw/zinc/77/88/41/592778841.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000906340449 592798924 /nfs/dbraw/zinc/79/89/24/592798924.db2.gz RHBGWDREZUBDOZ-KRWDZBQOSA-N 1 3 336.455 1.038 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000906340449 592798926 /nfs/dbraw/zinc/79/89/26/592798926.db2.gz RHBGWDREZUBDOZ-KRWDZBQOSA-N 1 3 336.455 1.038 20 0 EDADHO CCN1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000910265463 592813392 /nfs/dbraw/zinc/81/33/92/592813392.db2.gz HNYOMSPFGMLCTB-NXHRZFHOSA-N 1 3 337.508 1.676 20 0 EDADHO CCN1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000910266390 592813689 /nfs/dbraw/zinc/81/36/89/592813689.db2.gz MNLFHAVIJGIMAH-INIZCTEOSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000910281012 592819280 /nfs/dbraw/zinc/81/92/80/592819280.db2.gz GTIQCLIZMNBSGZ-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CC[N@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000910281012 592819283 /nfs/dbraw/zinc/81/92/83/592819283.db2.gz GTIQCLIZMNBSGZ-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906644242 592865458 /nfs/dbraw/zinc/86/54/58/592865458.db2.gz IRXCRZBKGNUQDC-UHFFFAOYSA-N 1 3 332.448 1.320 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000911736442 592993302 /nfs/dbraw/zinc/99/33/02/592993302.db2.gz RGKDSGPCPRUJIF-UAGQMJEPSA-N 1 3 343.475 1.741 20 0 EDADHO Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(=O)[nH]1 ZINC000912303475 593084163 /nfs/dbraw/zinc/08/41/63/593084163.db2.gz JFEXMNYBNISUHI-HNNXBMFYSA-N 1 3 336.480 1.335 20 0 EDADHO Cc1cc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(=O)[nH]1 ZINC000912303475 593084164 /nfs/dbraw/zinc/08/41/64/593084164.db2.gz JFEXMNYBNISUHI-HNNXBMFYSA-N 1 3 336.480 1.335 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000912304405 593085276 /nfs/dbraw/zinc/08/52/76/593085276.db2.gz PHHXRGKXLLEIOO-ZDUSSCGKSA-N 1 3 347.463 1.057 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000912304405 593085277 /nfs/dbraw/zinc/08/52/77/593085277.db2.gz PHHXRGKXLLEIOO-ZDUSSCGKSA-N 1 3 347.463 1.057 20 0 EDADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841097319 593107668 /nfs/dbraw/zinc/10/76/68/593107668.db2.gz KNSXFFSXBPZHTC-DGCLKSJQSA-N 1 3 339.452 1.371 20 0 EDADHO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000838945305 593237854 /nfs/dbraw/zinc/23/78/54/593237854.db2.gz UVMWCZSMEQFQJD-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ccc2c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn2c1C ZINC000824826858 594080824 /nfs/dbraw/zinc/08/08/24/594080824.db2.gz RVGCYFKSCFDQBU-HNNXBMFYSA-N 1 3 345.491 1.953 20 0 EDADHO Cc1ccc2c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn2c1C ZINC000824826858 594080825 /nfs/dbraw/zinc/08/08/25/594080825.db2.gz RVGCYFKSCFDQBU-HNNXBMFYSA-N 1 3 345.491 1.953 20 0 EDADHO [NH3+][C@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000828757381 594496326 /nfs/dbraw/zinc/49/63/26/594496326.db2.gz XPLDDAOIPLKQTQ-GOSISDBHSA-N 1 3 331.460 1.387 20 0 EDADHO CCO[C@H](CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)CN(C)C ZINC000831720366 594696000 /nfs/dbraw/zinc/69/60/00/594696000.db2.gz ZVKZXGKJEWJIPY-RTBURBONSA-N 1 3 347.503 1.949 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(CN)c2)CC1 ZINC000831880398 594708948 /nfs/dbraw/zinc/70/89/48/594708948.db2.gz DFMBDRDRLCTXCN-IAGOWNOFSA-N 1 3 344.503 1.776 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cn1 ZINC000832221201 594736439 /nfs/dbraw/zinc/73/64/39/594736439.db2.gz COHHKTFPJAFZOK-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]2C1 ZINC000840754235 594814547 /nfs/dbraw/zinc/81/45/47/594814547.db2.gz CDTDWICFCNJRQN-LSDHHAIUSA-N 1 3 342.553 1.244 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000841100402 594851212 /nfs/dbraw/zinc/85/12/12/594851212.db2.gz XOVMZKYBZQQRAD-PKOBYXMFSA-N 1 3 347.459 1.269 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326291 594885507 /nfs/dbraw/zinc/88/55/07/594885507.db2.gz UVAAPAXUTSHJCT-KGLIPLIRSA-N 1 3 348.422 1.456 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841749152 594947569 /nfs/dbraw/zinc/94/75/69/594947569.db2.gz ATUWYHBMRAGOAF-OTWHNJEPSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCCCCC[NH+]2CCCC2)cn1 ZINC000836440598 594963923 /nfs/dbraw/zinc/96/39/23/594963923.db2.gz LIYOLFOHRFHEDJ-UHFFFAOYSA-N 1 3 336.484 1.832 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(Cl)n1 ZINC000841852099 594965634 /nfs/dbraw/zinc/96/56/34/594965634.db2.gz DBHRDDVXTPELRA-MNOVXSKESA-N 1 3 332.782 1.547 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966532 594991360 /nfs/dbraw/zinc/99/13/60/594991360.db2.gz FFHBIXQGHMBRKU-LJQANCHMSA-N 1 3 346.475 1.146 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)C[C@H]1c1ccccc1 ZINC000841980151 594994591 /nfs/dbraw/zinc/99/45/91/594994591.db2.gz HYPYFZIGKLQWIB-RBUKOAKNSA-N 1 3 336.439 1.926 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842235445 595047804 /nfs/dbraw/zinc/04/78/04/595047804.db2.gz ZXYVEQKTUDPEBV-UHFFFAOYSA-N 1 3 348.491 1.211 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000843336265 595078639 /nfs/dbraw/zinc/07/86/39/595078639.db2.gz WNFGFLCLSURLLK-SWLSCSKDSA-N 1 3 331.416 1.532 20 0 EDADHO COCCOc1ccc(CNC(=O)CN(C)C2CCC([NH3+])CC2)cc1 ZINC000843354657 595085740 /nfs/dbraw/zinc/08/57/40/595085740.db2.gz AOIHRIMMKFWMIZ-UHFFFAOYSA-N 1 3 349.475 1.530 20 0 EDADHO CCCCOC(=O)CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362974 595087745 /nfs/dbraw/zinc/08/77/45/595087745.db2.gz WASJHOARYJXVRB-CVEARBPZSA-N 1 3 339.480 1.300 20 0 EDADHO Cc1cc(=O)oc2cc(OCCN3CCC(O)(C[NH3+])CC3)ccc12 ZINC000842480540 595116955 /nfs/dbraw/zinc/11/69/55/595116955.db2.gz QAWLMIZXMPSWEQ-UHFFFAOYSA-N 1 3 332.400 1.266 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488919 595127407 /nfs/dbraw/zinc/12/74/07/595127407.db2.gz WJFODVDFTPAUAB-SFHVURJKSA-N 1 3 333.476 1.865 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000844166018 595289005 /nfs/dbraw/zinc/28/90/05/595289005.db2.gz VZYFSNVWXOATHW-HUUCEWRRSA-N 1 3 337.489 1.770 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000844189920 595297413 /nfs/dbraw/zinc/29/74/13/595297413.db2.gz VFNNETVBXUDHQJ-NJAFHUGGSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708892 595304940 /nfs/dbraw/zinc/30/49/40/595304940.db2.gz XLGUHUMVWXOFIU-HZPDHXFCSA-N 1 3 346.475 1.663 20 0 EDADHO [NH2+]=C(NCCN1CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849053197 595475668 /nfs/dbraw/zinc/47/56/68/595475668.db2.gz LAYKMYGFDQURFP-UHFFFAOYSA-N 1 3 345.491 1.097 20 0 EDADHO CN(C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCCCC1 ZINC000849053285 595475692 /nfs/dbraw/zinc/47/56/92/595475692.db2.gz UJUQTYPVCUJCOX-UHFFFAOYSA-N 1 3 325.501 1.087 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088364 595479987 /nfs/dbraw/zinc/47/99/87/595479987.db2.gz GTMVFIOMPNXKGQ-NSHDSACASA-N 1 3 344.506 1.250 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000849095153 595481062 /nfs/dbraw/zinc/48/10/62/595481062.db2.gz YNKGGKQOCYHVTK-HNNXBMFYSA-N 1 3 346.475 1.388 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514626 595555180 /nfs/dbraw/zinc/55/51/80/595555180.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 1 3 333.480 1.054 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514626 595555181 /nfs/dbraw/zinc/55/51/81/595555181.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 1 3 333.480 1.054 20 0 EDADHO CC[N@H+](CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557082 /nfs/dbraw/zinc/55/70/82/595557082.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 1 3 333.480 1.056 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557084 /nfs/dbraw/zinc/55/70/84/595557084.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 1 3 333.480 1.056 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559168 /nfs/dbraw/zinc/55/91/68/595559168.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559173 /nfs/dbraw/zinc/55/91/73/595559173.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 1 3 347.507 1.444 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)C2=NO[C@@H](CN)C2)CCCC1)c1ccccc1 ZINC000852867993 595587830 /nfs/dbraw/zinc/58/78/30/595587830.db2.gz KCVRJFUTVOGNOG-GDBMZVCRSA-N 1 3 344.459 1.870 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c(C)c1 ZINC000853248341 595719298 /nfs/dbraw/zinc/71/92/98/595719298.db2.gz RXGMWAWZWKLFLA-SFHVURJKSA-N 1 3 344.503 1.623 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000861765043 596094786 /nfs/dbraw/zinc/09/47/86/596094786.db2.gz KAZORSKKJNYDBR-ZIAGYGMSSA-N 1 3 334.464 1.038 20 0 EDADHO COCCN(C)CCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857101545 596157981 /nfs/dbraw/zinc/15/79/81/596157981.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 1 3 333.476 1.804 20 0 EDADHO COCCN(C)CCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857101545 596157983 /nfs/dbraw/zinc/15/79/83/596157983.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 1 3 333.476 1.804 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCN(C)CC1 ZINC000868626629 596251362 /nfs/dbraw/zinc/25/13/62/596251362.db2.gz KKJIEKNDWLDNPW-LSDHHAIUSA-N 1 3 340.537 1.549 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCN(C)CC1 ZINC000868626629 596251365 /nfs/dbraw/zinc/25/13/65/596251365.db2.gz KKJIEKNDWLDNPW-LSDHHAIUSA-N 1 3 340.537 1.549 20 0 EDADHO Cc1ccccc1OCCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709884 596304426 /nfs/dbraw/zinc/30/44/26/596304426.db2.gz MOGQHJXBUACVIB-NUJGCVRESA-N 1 3 345.443 1.631 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000870666318 596315170 /nfs/dbraw/zinc/31/51/70/596315170.db2.gz DSDURAASLJQWRR-HYVNUMGLSA-N 1 3 330.428 1.776 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000870666318 596315174 /nfs/dbraw/zinc/31/51/74/596315174.db2.gz DSDURAASLJQWRR-HYVNUMGLSA-N 1 3 330.428 1.776 20 0 EDADHO O=C(CC[NH2+]CC1CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000870896964 596394005 /nfs/dbraw/zinc/39/40/05/596394005.db2.gz VVFCUXBMGDYVKQ-UHFFFAOYSA-N 1 3 345.487 1.649 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000862795823 596414602 /nfs/dbraw/zinc/41/46/02/596414602.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 1 3 347.507 1.304 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000862795823 596414604 /nfs/dbraw/zinc/41/46/04/596414604.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 1 3 347.507 1.304 20 0 EDADHO C[NH+](C)CCC1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000121669112 596416941 /nfs/dbraw/zinc/41/69/41/596416941.db2.gz BSCFKWPHPAJNLK-UHFFFAOYSA-N 1 3 339.480 1.016 20 0 EDADHO CN1CCN(C2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000870981988 596428421 /nfs/dbraw/zinc/42/84/21/596428421.db2.gz UVLMOGYQYHVZDK-LJQANCHMSA-N 1 3 344.503 1.705 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NCCN(C)C ZINC000865243843 596521819 /nfs/dbraw/zinc/52/18/19/596521819.db2.gz SZHBCFPTELPJLC-WBVHZDCISA-N 1 3 334.533 1.780 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=S)NCCN(C)C ZINC000865243843 596521821 /nfs/dbraw/zinc/52/18/21/596521821.db2.gz SZHBCFPTELPJLC-WBVHZDCISA-N 1 3 334.533 1.780 20 0 EDADHO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863551171 596615177 /nfs/dbraw/zinc/61/51/77/596615177.db2.gz ISMIFAUSNLQHPS-HOTGVXAUSA-N 1 3 341.496 1.822 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](O)C1 ZINC000865748290 596669234 /nfs/dbraw/zinc/66/92/34/596669234.db2.gz SOVLXHXHKMGTCB-UGUYLWEFSA-N 1 3 339.480 1.573 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](O)C1 ZINC000865748290 596669235 /nfs/dbraw/zinc/66/92/35/596669235.db2.gz SOVLXHXHKMGTCB-UGUYLWEFSA-N 1 3 339.480 1.573 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@](C)([NH3+])C3)cc2)CC1 ZINC000868070667 596675617 /nfs/dbraw/zinc/67/56/17/596675617.db2.gz DHAMCQAOYLZTTD-IBGZPJMESA-N 1 3 330.476 1.780 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2cccc3c2C(=O)CC3)C[C@H]1C[NH+](C)C ZINC000870016685 596708747 /nfs/dbraw/zinc/70/87/47/596708747.db2.gz ULPGXACPZAPNNZ-HZPDHXFCSA-N 1 3 343.471 1.627 20 0 EDADHO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000872252573 596854729 /nfs/dbraw/zinc/85/47/29/596854729.db2.gz TXYLJZQAVKXZOI-QWQRMKEZSA-N 1 3 338.448 1.172 20 0 EDADHO CC(C)[NH+]1CCC(CCNC(=O)NCCNc2ccncc2)CC1 ZINC000876030760 597069225 /nfs/dbraw/zinc/06/92/25/597069225.db2.gz NQRPUMLYZNPFNU-UHFFFAOYSA-N 1 3 333.480 1.725 20 0 EDADHO CC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cnn(C)c1 ZINC000873247789 597239540 /nfs/dbraw/zinc/23/95/40/597239540.db2.gz UJVYVHOVTRXIPI-QGZVFWFLSA-N 1 3 325.420 1.700 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000875002010 597239906 /nfs/dbraw/zinc/23/99/06/597239906.db2.gz NAWICBMBMBBOPV-QYZOEREBSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000875002010 597239908 /nfs/dbraw/zinc/23/99/08/597239908.db2.gz NAWICBMBMBBOPV-QYZOEREBSA-N 1 3 344.503 1.895 20 0 EDADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)c1 ZINC000873267027 597243239 /nfs/dbraw/zinc/24/32/39/597243239.db2.gz VOBZZSBJDMDMKM-RSPOEFSDSA-N 1 3 347.503 1.538 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000873308305 597252312 /nfs/dbraw/zinc/25/23/12/597252312.db2.gz IFPNFRNSFYKSAQ-GHMZBOCLSA-N 1 3 348.373 1.046 20 0 EDADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCN1CC[C@H](C)C1 ZINC000876772373 597333845 /nfs/dbraw/zinc/33/38/45/597333845.db2.gz BHQPLDAXPSHQGK-LBPRGKRZSA-N 1 3 336.505 1.990 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285336 597486841 /nfs/dbraw/zinc/48/68/41/597486841.db2.gz ZLZZZSBKXFLXLI-SQNIBIBYSA-N 1 3 328.460 1.647 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883379369 597728496 /nfs/dbraw/zinc/72/84/96/597728496.db2.gz YQGSIKNGSZTJNG-KOMQPUFPSA-N 1 3 326.462 1.292 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000884185862 598018628 /nfs/dbraw/zinc/01/86/28/598018628.db2.gz JULPTLXQASQXKM-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000884185862 598018631 /nfs/dbraw/zinc/01/86/31/598018631.db2.gz JULPTLXQASQXKM-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3C[C@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365402 598082395 /nfs/dbraw/zinc/08/23/95/598082395.db2.gz INXIVAHXQLXKKX-GJZGRUSLSA-N 1 3 345.447 1.159 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914411088 695392426 /nfs/dbraw/zinc/39/24/26/695392426.db2.gz DMMNKNCCUKCMOA-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCF ZINC000993984833 696482088 /nfs/dbraw/zinc/48/20/88/696482088.db2.gz JIBKBADJRMQDQT-GDBMZVCRSA-N 1 3 339.459 1.387 20 0 EDADHO C[NH+](C)CCNC(=S)NC[C@H](c1cccs1)N1CCCC1 ZINC000916119031 696623201 /nfs/dbraw/zinc/62/32/01/696623201.db2.gz FKMLZNGLYUFLGM-CYBMUJFWSA-N 1 3 326.535 1.911 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063548 699130351 /nfs/dbraw/zinc/13/03/51/699130351.db2.gz IGFIAVQCXQXRMK-SUMWQHHRSA-N 1 3 331.464 1.063 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213499 699363279 /nfs/dbraw/zinc/36/32/79/699363279.db2.gz DPULPXUQAXUZIQ-YVEFUNNKSA-N 1 3 348.397 1.910 20 0 EDADHO COCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939213870 699363934 /nfs/dbraw/zinc/36/39/34/699363934.db2.gz GPRVTCDVGQPQLU-KSSFIOAISA-N 1 3 342.443 1.735 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1)OC ZINC001031806663 699431724 /nfs/dbraw/zinc/43/17/24/699431724.db2.gz KEGZGJIIBFJRRD-DLBZAZTESA-N 1 3 325.497 1.580 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1)OC ZINC001031806663 699431725 /nfs/dbraw/zinc/43/17/25/699431725.db2.gz KEGZGJIIBFJRRD-DLBZAZTESA-N 1 3 325.497 1.580 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC000939394103 699544511 /nfs/dbraw/zinc/54/45/11/699544511.db2.gz AOZRTWKQQRFOGO-YJBOKZPZSA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3ccnn3C)C2)CC1 ZINC000939453618 699599884 /nfs/dbraw/zinc/59/98/84/699599884.db2.gz KSKYVPOCUVYSOW-CRAIPNDOSA-N 1 3 347.507 1.477 20 0 EDADHO Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1C ZINC000939754134 699904209 /nfs/dbraw/zinc/90/42/09/699904209.db2.gz LFBZKKZCCBNERO-BLLLJJGKSA-N 1 3 336.505 1.792 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1)N(C)C ZINC000940176369 700308900 /nfs/dbraw/zinc/30/89/00/700308900.db2.gz GRMDZBCYYBFIPI-CYBMUJFWSA-N 1 3 339.509 1.657 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)(NCc2nccn2C)CC1)[NH+](C)C ZINC000940306039 700488602 /nfs/dbraw/zinc/48/86/02/700488602.db2.gz HBXMMOKXBBCYJF-MRXNPFEDSA-N 1 3 335.496 1.477 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329479 700509060 /nfs/dbraw/zinc/50/90/60/700509060.db2.gz UESMSKCISGSYOJ-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000940457676 700661432 /nfs/dbraw/zinc/66/14/32/700661432.db2.gz PEFYWOOSZBRZAD-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000940457676 700661433 /nfs/dbraw/zinc/66/14/33/700661433.db2.gz PEFYWOOSZBRZAD-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO Cc1csc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457825 700661591 /nfs/dbraw/zinc/66/15/91/700661591.db2.gz WQMUIKHRZBOIPW-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1csc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457825 700661592 /nfs/dbraw/zinc/66/15/92/700661592.db2.gz WQMUIKHRZBOIPW-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075474 701102808 /nfs/dbraw/zinc/10/28/08/701102808.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075474 701102809 /nfs/dbraw/zinc/10/28/09/701102809.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 1 3 325.497 1.458 20 0 EDADHO CC[NH+]1CC(N2CCN(C(=O)c3sccc3CN(C)C)CC2)C1 ZINC000941423868 701523769 /nfs/dbraw/zinc/52/37/69/701523769.db2.gz DMQAQKOYXGJVNX-UHFFFAOYSA-N 1 3 336.505 1.272 20 0 EDADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000941437004 701540293 /nfs/dbraw/zinc/54/02/93/701540293.db2.gz NZHJHXCZMBFCLJ-CRAIPNDOSA-N 1 3 336.524 1.201 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)C1CC1 ZINC000995896409 702200611 /nfs/dbraw/zinc/20/06/11/702200611.db2.gz NLJRHUMKZUEBHD-SJORKVTESA-N 1 3 347.507 1.129 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902950 702210506 /nfs/dbraw/zinc/21/05/06/702210506.db2.gz ILJIMCXNEBHNSJ-DLBZAZTESA-N 1 3 337.508 1.580 20 0 EDADHO Cc1nocc1CNC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476809 702808682 /nfs/dbraw/zinc/80/86/82/702808682.db2.gz HMLURSKLUQGUIA-YJBOKZPZSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1nocc1CNC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996476809 702808684 /nfs/dbraw/zinc/80/86/84/702808684.db2.gz HMLURSKLUQGUIA-YJBOKZPZSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)sn1 ZINC000996524215 702859445 /nfs/dbraw/zinc/85/94/45/702859445.db2.gz GTTJGRCWSCHWET-OAHLLOKOSA-N 1 3 348.516 1.874 20 0 EDADHO COc1ccc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614261 702919547 /nfs/dbraw/zinc/91/95/47/702919547.db2.gz MQQNTMZKGVOUNY-HOTGVXAUSA-N 1 3 346.475 1.369 20 0 EDADHO COc1ccc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614261 702919549 /nfs/dbraw/zinc/91/95/49/702919549.db2.gz MQQNTMZKGVOUNY-HOTGVXAUSA-N 1 3 346.475 1.369 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614378 702919713 /nfs/dbraw/zinc/91/97/13/702919713.db2.gz MYEZXRYRISXIJJ-HOCLYGCPSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614378 702919714 /nfs/dbraw/zinc/91/97/14/702919714.db2.gz MYEZXRYRISXIJJ-HOCLYGCPSA-N 1 3 333.480 1.007 20 0 EDADHO C[C@@H]([NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C)C(N)=O ZINC000996668668 702966028 /nfs/dbraw/zinc/96/60/28/702966028.db2.gz FHMCTONCYPCKHD-CJNGLKHVSA-N 1 3 346.475 1.062 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000996664741 702967235 /nfs/dbraw/zinc/96/72/35/702967235.db2.gz ILSFPLGYYUOBOI-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996689236 702986745 /nfs/dbraw/zinc/98/67/45/702986745.db2.gz KJCOXFOASRSAHK-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996689236 702986747 /nfs/dbraw/zinc/98/67/47/702986747.db2.gz KJCOXFOASRSAHK-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824054 703114379 /nfs/dbraw/zinc/11/43/79/703114379.db2.gz YILXTSKYHLDNDC-IPCDKGFNSA-N 1 3 347.503 1.620 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)n1 ZINC000996994714 703251326 /nfs/dbraw/zinc/25/13/26/703251326.db2.gz ISBYBNABDDNLEE-OAHLLOKOSA-N 1 3 346.475 1.655 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996997025 703260493 /nfs/dbraw/zinc/26/04/93/703260493.db2.gz DGBOBIHOTWFBNX-HNNXBMFYSA-N 1 3 333.480 1.468 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996997025 703260496 /nfs/dbraw/zinc/26/04/96/703260496.db2.gz DGBOBIHOTWFBNX-HNNXBMFYSA-N 1 3 333.480 1.468 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)N(C)C ZINC000997011101 703270576 /nfs/dbraw/zinc/27/05/76/703270576.db2.gz VJFCIKIHKISJKL-SJORKVTESA-N 1 3 325.497 1.866 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1)N(C)C ZINC000997014025 703273644 /nfs/dbraw/zinc/27/36/44/703273644.db2.gz FHHOGGARLZJCQL-HNNXBMFYSA-N 1 3 341.887 1.457 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997056878 703302507 /nfs/dbraw/zinc/30/25/07/703302507.db2.gz GCKJDZWYILFKGM-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997368933 703609201 /nfs/dbraw/zinc/60/92/01/703609201.db2.gz XGBHBJQYGAJYMR-UHFFFAOYSA-N 1 3 334.464 1.940 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000997611983 703909553 /nfs/dbraw/zinc/90/95/53/703909553.db2.gz IMHWSVFFWDWYOY-OAHLLOKOSA-N 1 3 329.435 1.954 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cnccn1 ZINC000997615850 703915213 /nfs/dbraw/zinc/91/52/13/703915213.db2.gz XBUCFYWLBUPNTF-RHSMWYFYSA-N 1 3 331.464 1.460 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298768 /nfs/dbraw/zinc/29/87/68/704298768.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 1 3 335.492 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298770 /nfs/dbraw/zinc/29/87/70/704298770.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 1 3 335.492 1.430 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC000997786443 704692392 /nfs/dbraw/zinc/69/23/92/704692392.db2.gz QDGMGFHVJBDLLQ-RHSMWYFYSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC000997786443 704692394 /nfs/dbraw/zinc/69/23/94/704692394.db2.gz QDGMGFHVJBDLLQ-RHSMWYFYSA-N 1 3 334.464 1.651 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997793163 704699389 /nfs/dbraw/zinc/69/93/89/704699389.db2.gz MUOFJOYLSLXMIH-CRAIPNDOSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000997793163 704699392 /nfs/dbraw/zinc/69/93/92/704699392.db2.gz MUOFJOYLSLXMIH-CRAIPNDOSA-N 1 3 347.507 1.571 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1)N(C)C ZINC000998041020 705230107 /nfs/dbraw/zinc/23/01/07/705230107.db2.gz ZKHIDHYFZGPWCZ-QGZVFWFLSA-N 1 3 335.496 1.335 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2OC)CC1)N(C)C ZINC000998084549 705315491 /nfs/dbraw/zinc/31/54/91/705315491.db2.gz BQDMOLBKTGAKLS-KRWDZBQOSA-N 1 3 348.491 1.759 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000998176385 705472707 /nfs/dbraw/zinc/47/27/07/705472707.db2.gz WIRAAEIKECUPET-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998216654 705539127 /nfs/dbraw/zinc/53/91/27/705539127.db2.gz JNGADWCPFXKEGD-QGZVFWFLSA-N 1 3 347.507 1.399 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998216654 705539130 /nfs/dbraw/zinc/53/91/30/705539130.db2.gz JNGADWCPFXKEGD-QGZVFWFLSA-N 1 3 347.507 1.399 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722086 706153685 /nfs/dbraw/zinc/15/36/85/706153685.db2.gz ODRONNFDSYLMEO-LSDHHAIUSA-N 1 3 336.867 1.910 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000998791726 706238589 /nfs/dbraw/zinc/23/85/89/706238589.db2.gz QPGGYCQBDMRJCA-UWLZSVRSSA-N 1 3 336.505 1.871 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000998791726 706238594 /nfs/dbraw/zinc/23/85/94/706238594.db2.gz QPGGYCQBDMRJCA-UWLZSVRSSA-N 1 3 336.505 1.871 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000998868209 706297608 /nfs/dbraw/zinc/29/76/08/706297608.db2.gz VOGGACSGMOZOHI-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000998868209 706297611 /nfs/dbraw/zinc/29/76/11/706297611.db2.gz VOGGACSGMOZOHI-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2cncs2)C1 ZINC000999050144 706470798 /nfs/dbraw/zinc/47/07/98/706470798.db2.gz JZWUCUSVMAVTHS-UHFFFAOYSA-N 1 3 334.489 1.851 20 0 EDADHO C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942842 707689873 /nfs/dbraw/zinc/68/98/73/707689873.db2.gz BGHUHDFXAOPGCA-PBHICJAKSA-N 1 3 334.464 1.738 20 0 EDADHO CO[C@@H](CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1)C1CCC1 ZINC001032801129 708082345 /nfs/dbraw/zinc/08/23/45/708082345.db2.gz LTPUEUVUTFWMHH-FHWLQOOXSA-N 1 3 349.519 1.963 20 0 EDADHO O=C(NCC1CCN(Cc2ccccn2)CC1)C12CC[NH+](CC1)C2 ZINC001002043165 708533792 /nfs/dbraw/zinc/53/37/92/708533792.db2.gz LRMAEKUKKDTJRJ-UHFFFAOYSA-N 1 3 328.460 1.506 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)CC(C)(C)C ZINC000922893192 708969718 /nfs/dbraw/zinc/96/97/18/708969718.db2.gz USFOJHFSOMKRAU-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C(=O)[C@H]1CN2CCC[C@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427328 708982198 /nfs/dbraw/zinc/98/21/98/708982198.db2.gz WNIQSHJQGJTRLB-RBUKOAKNSA-N 1 3 349.519 1.963 20 0 EDADHO CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907992 709040655 /nfs/dbraw/zinc/04/06/55/709040655.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 1 3 335.492 1.573 20 0 EDADHO CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907992 709040660 /nfs/dbraw/zinc/04/06/60/709040660.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 1 3 335.492 1.573 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001005474324 709110290 /nfs/dbraw/zinc/11/02/90/709110290.db2.gz BSFSYZKZCLVWPR-GOSISDBHSA-N 1 3 347.507 1.680 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001005474324 709110293 /nfs/dbraw/zinc/11/02/93/709110293.db2.gz BSFSYZKZCLVWPR-GOSISDBHSA-N 1 3 347.507 1.680 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001002814840 709429535 /nfs/dbraw/zinc/42/95/35/709429535.db2.gz IBOBWFYTRJSPPL-HNNXBMFYSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034212936 709564350 /nfs/dbraw/zinc/56/43/50/709564350.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034212936 709564353 /nfs/dbraw/zinc/56/43/53/709564353.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@H]1CCCCN(CCCO)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250350 709612807 /nfs/dbraw/zinc/61/28/07/709612807.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(N[C@H]1CCCCN(CCCO)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001034250350 709612810 /nfs/dbraw/zinc/61/28/10/709612810.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 1 3 337.508 1.747 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034397295 709938101 /nfs/dbraw/zinc/93/81/01/709938101.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034397295 709938102 /nfs/dbraw/zinc/93/81/02/709938102.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC001045438295 710027891 /nfs/dbraw/zinc/02/78/91/710027891.db2.gz OHJYIJJTFBFGOF-IAGOWNOFSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438296 710027974 /nfs/dbraw/zinc/02/79/74/710027974.db2.gz OHJYIJJTFBFGOF-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526090 710177629 /nfs/dbraw/zinc/17/76/29/710177629.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 1 3 336.505 1.608 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526090 710177631 /nfs/dbraw/zinc/17/76/31/710177631.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 1 3 336.505 1.608 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544378 710217784 /nfs/dbraw/zinc/21/77/84/710217784.db2.gz QTFZEJFEKBRLFF-WBVHZDCISA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544378 710217786 /nfs/dbraw/zinc/21/77/86/710217786.db2.gz QTFZEJFEKBRLFF-WBVHZDCISA-N 1 3 333.476 1.713 20 0 EDADHO CCOC1CC(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001003626689 710448601 /nfs/dbraw/zinc/44/86/01/710448601.db2.gz UUYNPRRELQVSFS-KLHKWILBSA-N 1 3 337.508 1.724 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658810 710587562 /nfs/dbraw/zinc/58/75/62/710587562.db2.gz HUWPJSXTSFQGOS-ZOBUZTSGSA-N 1 3 348.495 1.207 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737571 710950037 /nfs/dbraw/zinc/95/00/37/710950037.db2.gz MUBPCPZGWWTQMI-QBPKDAKJSA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737571 710950044 /nfs/dbraw/zinc/95/00/44/710950044.db2.gz MUBPCPZGWWTQMI-QBPKDAKJSA-N 1 3 347.507 1.618 20 0 EDADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1)C(N)=O ZINC001034748706 710955360 /nfs/dbraw/zinc/95/53/60/710955360.db2.gz BANFNWGRXRUYIB-VGWMRTNUSA-N 1 3 338.496 1.142 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)C1 ZINC001034776641 711053418 /nfs/dbraw/zinc/05/34/18/711053418.db2.gz VVLLOGQGIVCKPJ-IHRRRGAJSA-N 1 3 337.493 1.397 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)C1 ZINC001034776641 711053420 /nfs/dbraw/zinc/05/34/20/711053420.db2.gz VVLLOGQGIVCKPJ-IHRRRGAJSA-N 1 3 337.493 1.397 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1 ZINC001034786674 711091632 /nfs/dbraw/zinc/09/16/32/711091632.db2.gz QIZXELUKIAVNGU-BZUAXINKSA-N 1 3 334.464 1.847 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCc3ccns3)CC2)C1 ZINC001003977946 711152341 /nfs/dbraw/zinc/15/23/41/711152341.db2.gz ZXDZNUIHWBXGIU-AWEZNQCLSA-N 1 3 336.505 1.608 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCc3ccns3)CC2)C1 ZINC001003977946 711152346 /nfs/dbraw/zinc/15/23/46/711152346.db2.gz ZXDZNUIHWBXGIU-AWEZNQCLSA-N 1 3 336.505 1.608 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034958853 711432769 /nfs/dbraw/zinc/43/27/69/711432769.db2.gz MNDBQNYQCLSDMC-SJLPKXTDSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034958853 711432771 /nfs/dbraw/zinc/43/27/71/711432771.db2.gz MNDBQNYQCLSDMC-SJLPKXTDSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1)N1CCCCC1 ZINC001034938797 711440697 /nfs/dbraw/zinc/44/06/97/711440697.db2.gz SLUGUTJPSUWNBP-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001034939444 711441631 /nfs/dbraw/zinc/44/16/31/711441631.db2.gz ANQKXOOILKPFFQ-XNRPHZJLSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)s1 ZINC001034939444 711441634 /nfs/dbraw/zinc/44/16/34/711441634.db2.gz ANQKXOOILKPFFQ-XNRPHZJLSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cccc(OCCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004150795 711566610 /nfs/dbraw/zinc/56/66/10/711566610.db2.gz UHMTYNUGPFJLCS-KRWDZBQOSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1cccc(OCCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004150795 711566612 /nfs/dbraw/zinc/56/66/12/711566612.db2.gz UHMTYNUGPFJLCS-KRWDZBQOSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582351 712015271 /nfs/dbraw/zinc/01/52/71/712015271.db2.gz VGIWIZBIMRVISZ-WMLDXEAASA-N 1 3 334.464 1.690 20 0 EDADHO CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582351 712015272 /nfs/dbraw/zinc/01/52/72/712015272.db2.gz VGIWIZBIMRVISZ-WMLDXEAASA-N 1 3 334.464 1.690 20 0 EDADHO CN(C)CCOc1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505950 /nfs/dbraw/zinc/50/59/50/539505950.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 1 3 349.519 1.906 20 0 EDADHO CN(C)CCOc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505956 /nfs/dbraw/zinc/50/59/56/539505956.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 1 3 349.519 1.906 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000560961108 306281234 /nfs/dbraw/zinc/28/12/34/306281234.db2.gz XXMCEBIHRFCKOA-CQSZACIVSA-N 1 3 346.475 1.978 20 0 EDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000333235392 539626264 /nfs/dbraw/zinc/62/62/64/539626264.db2.gz CXNMBGBSUQBWTL-GDBMZVCRSA-N 1 3 331.526 1.558 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000561612297 306289505 /nfs/dbraw/zinc/28/95/05/306289505.db2.gz VYZSPOBZXWLOFI-SFHVURJKSA-N 1 3 333.476 1.601 20 0 EDADHO COC(=O)CCCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130657848 138344086 /nfs/dbraw/zinc/34/40/86/138344086.db2.gz ORPLGLYJYLKBEM-UHFFFAOYSA-N 1 3 341.496 1.356 20 0 EDADHO CN(CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000563872281 306350835 /nfs/dbraw/zinc/35/08/35/306350835.db2.gz LCPJUGMDOUJQDI-MRXNPFEDSA-N 1 3 346.475 1.525 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446769 283348956 /nfs/dbraw/zinc/34/89/56/283348956.db2.gz MCOTXIHVZMKZAD-YOEHRIQHSA-N 1 3 334.439 1.849 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)CN1CCOCC1 ZINC000564722816 306363718 /nfs/dbraw/zinc/36/37/18/306363718.db2.gz SMGBVNRXFNNCRX-IBGZPJMESA-N 1 3 333.476 1.065 20 0 EDADHO Cc1cc(C)n(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000050800299 201126333 /nfs/dbraw/zinc/12/63/33/201126333.db2.gz FYZZGLZSUJBGGF-UHFFFAOYSA-N 1 3 333.480 1.175 20 0 EDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414200519 304105673 /nfs/dbraw/zinc/10/56/73/304105673.db2.gz RYIABPDJAGYCGX-IXDOHACOSA-N 1 3 339.524 1.432 20 0 EDADHO CC[C@@H]1C[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCO1 ZINC000414480675 304117929 /nfs/dbraw/zinc/11/79/29/304117929.db2.gz JGZQLXKJNWWVQN-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO CC(C)OC1CC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414490418 304119597 /nfs/dbraw/zinc/11/95/97/304119597.db2.gz XJMZGCDFRUBZEU-UHFFFAOYSA-N 1 3 325.497 1.329 20 0 EDADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414699189 304129538 /nfs/dbraw/zinc/12/95/38/304129538.db2.gz JMWATJGVORHINR-CYGHRXIMSA-N 1 3 337.508 1.709 20 0 EDADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414699189 304129539 /nfs/dbraw/zinc/12/95/39/304129539.db2.gz JMWATJGVORHINR-CYGHRXIMSA-N 1 3 337.508 1.709 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703679 304130270 /nfs/dbraw/zinc/13/02/70/304130270.db2.gz MNCUNVTXIQQDNU-SJORKVTESA-N 1 3 333.451 1.887 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703679 304130272 /nfs/dbraw/zinc/13/02/72/304130272.db2.gz MNCUNVTXIQQDNU-SJORKVTESA-N 1 3 333.451 1.887 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000414735483 304134924 /nfs/dbraw/zinc/13/49/24/304134924.db2.gz MACPTFZDGDDNDO-MRXNPFEDSA-N 1 3 344.459 1.431 20 0 EDADHO COc1ccc(OC(F)F)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414784896 304140638 /nfs/dbraw/zinc/14/06/38/304140638.db2.gz UEWULOPVMVLKPK-UHFFFAOYSA-N 1 3 329.391 1.682 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000444382998 296176418 /nfs/dbraw/zinc/17/64/18/296176418.db2.gz QTSWQCSXBDYNFG-CVEARBPZSA-N 1 3 325.497 1.555 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000444382998 296176420 /nfs/dbraw/zinc/17/64/20/296176420.db2.gz QTSWQCSXBDYNFG-CVEARBPZSA-N 1 3 325.497 1.555 20 0 EDADHO COc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1O ZINC000415146137 304164945 /nfs/dbraw/zinc/16/49/45/304164945.db2.gz YGRNVZVDDWOWHF-CABCVRRESA-N 1 3 348.443 1.610 20 0 EDADHO Cc1c(C(=O)N[C@H](CC(C)C)CN(C)C)nnn1C1CC[NH2+]CC1 ZINC000236753696 139030479 /nfs/dbraw/zinc/03/04/79/139030479.db2.gz IFZCSDNKRXKLDK-CQSZACIVSA-N 1 3 336.484 1.217 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415165090 304168843 /nfs/dbraw/zinc/16/88/43/304168843.db2.gz LWPPSHJBXBELMK-UHFFFAOYSA-N 1 3 346.475 1.809 20 0 EDADHO CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236960252 139036611 /nfs/dbraw/zinc/03/66/11/139036611.db2.gz UYGDQDHMDFXLTE-CVEARBPZSA-N 1 3 332.448 1.529 20 0 EDADHO COCCNCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000237178712 139043146 /nfs/dbraw/zinc/04/31/46/139043146.db2.gz HQZRGXGFBQHTLZ-UHFFFAOYSA-N 1 3 325.478 1.312 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000415179311 304171385 /nfs/dbraw/zinc/17/13/85/304171385.db2.gz LGBRVXULJMBJFC-HNNXBMFYSA-N 1 3 332.448 1.287 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000111817996 220198569 /nfs/dbraw/zinc/19/85/69/220198569.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000111817996 220198571 /nfs/dbraw/zinc/19/85/71/220198571.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000238084627 139068615 /nfs/dbraw/zinc/06/86/15/139068615.db2.gz WBEAMQVLHGOZBF-HNNXBMFYSA-N 1 3 325.522 1.995 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000111866552 220214060 /nfs/dbraw/zinc/21/40/60/220214060.db2.gz CZHFTDPTFZJBBZ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415283683 304185206 /nfs/dbraw/zinc/18/52/06/304185206.db2.gz OODXJHSXFZMBOR-HNNXBMFYSA-N 1 3 332.448 1.145 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCN1C ZINC000248014333 139157336 /nfs/dbraw/zinc/15/73/36/139157336.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000248014333 139157337 /nfs/dbraw/zinc/15/73/37/139157337.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000248014333 139157338 /nfs/dbraw/zinc/15/73/38/139157338.db2.gz LOMZUIYYXZNBNU-AFYVEPGGSA-N 1 3 331.504 1.942 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000415392518 304212752 /nfs/dbraw/zinc/21/27/52/304212752.db2.gz JJVJNDIBIAJXRC-HNNXBMFYSA-N 1 3 332.448 1.063 20 0 EDADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H]1CCCOC1 ZINC000249271857 139189854 /nfs/dbraw/zinc/18/98/54/139189854.db2.gz BMMKVVVGNDIQNU-SJLPKXTDSA-N 1 3 333.476 1.764 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000249410448 139193011 /nfs/dbraw/zinc/19/30/11/139193011.db2.gz FAILNAPYPNXBGM-BZSNNMDCSA-N 1 3 339.524 1.972 20 0 EDADHO COc1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261629662 139212731 /nfs/dbraw/zinc/21/27/31/139212731.db2.gz HEXPPOHRRBHZCC-FUHWJXTLSA-N 1 3 331.460 1.775 20 0 EDADHO O=S(=O)(NC1CCN(CC2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000261643032 139213742 /nfs/dbraw/zinc/21/37/42/139213742.db2.gz FTFNOQWABWXURM-UHFFFAOYSA-N 1 3 337.489 1.429 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-n2cccn2)cc1 ZINC000261940917 139238812 /nfs/dbraw/zinc/23/88/12/139238812.db2.gz DSUDRINWSUIGNF-SFHVURJKSA-N 1 3 341.459 1.692 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 ZINC000261968625 139240655 /nfs/dbraw/zinc/24/06/55/139240655.db2.gz IAJOULZCSYESNE-KRWDZBQOSA-N 1 3 342.447 1.087 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000415469477 250955763 /nfs/dbraw/zinc/95/57/63/250955763.db2.gz XLHGHFLMYGOBCR-DOTOQJQBSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000417256002 251149939 /nfs/dbraw/zinc/14/99/39/251149939.db2.gz QSKKQMVPKDQOOP-XJFOESAGSA-N 1 3 332.439 1.649 20 0 EDADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000417256002 251149943 /nfs/dbraw/zinc/14/99/43/251149943.db2.gz QSKKQMVPKDQOOP-XJFOESAGSA-N 1 3 332.439 1.649 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417555244 251186202 /nfs/dbraw/zinc/18/62/02/251186202.db2.gz XOMKQAHGTRVWOO-MRXNPFEDSA-N 1 3 334.464 1.180 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417552250 251186818 /nfs/dbraw/zinc/18/68/18/251186818.db2.gz QICFOHFRWOENNX-GOSISDBHSA-N 1 3 347.507 1.981 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417552250 251186823 /nfs/dbraw/zinc/18/68/23/251186823.db2.gz QICFOHFRWOENNX-GOSISDBHSA-N 1 3 347.507 1.981 20 0 EDADHO COCC1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382376 139274815 /nfs/dbraw/zinc/27/48/15/139274815.db2.gz NZRYTMWQYAISIY-AEFFLSMTSA-N 1 3 345.487 1.782 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417578135 251196511 /nfs/dbraw/zinc/19/65/11/251196511.db2.gz KYLYSHXQQODKLO-BPQIPLTHSA-N 1 3 348.491 1.655 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694745 251231100 /nfs/dbraw/zinc/23/11/00/251231100.db2.gz DTTRTOCNMIHYJB-INIZCTEOSA-N 1 3 340.512 1.790 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417730627 251247086 /nfs/dbraw/zinc/24/70/86/251247086.db2.gz DNZHFLMUWVSJGS-ROUUACIJSA-N 1 3 342.487 1.337 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736440 251249381 /nfs/dbraw/zinc/24/93/81/251249381.db2.gz MPQKVDZMKICNLT-MAUKXSAKSA-N 1 3 344.503 1.902 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000417837992 251292604 /nfs/dbraw/zinc/29/26/04/251292604.db2.gz VNJGNWMVLPNBOX-KRWDZBQOSA-N 1 3 336.505 1.594 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000417812391 251281610 /nfs/dbraw/zinc/28/16/10/251281610.db2.gz FFCKFEDXVIFQIE-INIZCTEOSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000417873903 251308541 /nfs/dbraw/zinc/30/85/41/251308541.db2.gz MJDRQRJNDTXFAG-YSHGAJCASA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112148 251326475 /nfs/dbraw/zinc/32/64/75/251326475.db2.gz HVMRKRMJEMJNEV-MRXNPFEDSA-N 1 3 340.512 1.838 20 0 EDADHO NC[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418306073 251358144 /nfs/dbraw/zinc/35/81/44/251358144.db2.gz QEPTWEMNFRWILM-SFHVURJKSA-N 1 3 341.459 1.044 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418714545 251393926 /nfs/dbraw/zinc/39/39/26/251393926.db2.gz YQTLOLWHPNWAGP-UXLLHSPISA-N 1 3 340.512 1.645 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262627392 139291290 /nfs/dbraw/zinc/29/12/90/139291290.db2.gz CDNLKTHFLCDQNJ-NXHRZFHOSA-N 1 3 337.508 1.913 20 0 EDADHO CCC[C@@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262711617 139298119 /nfs/dbraw/zinc/29/81/19/139298119.db2.gz QQMFCRNYAXGLEK-MRXNPFEDSA-N 1 3 347.463 1.968 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262715751 139298462 /nfs/dbraw/zinc/29/84/62/139298462.db2.gz VJHOHRBHFRGQQL-MPGHIAIKSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262705018 139297523 /nfs/dbraw/zinc/29/75/23/139297523.db2.gz BKKVIGKGGYEYPU-KRWDZBQOSA-N 1 3 332.492 1.438 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccsc2n1 ZINC000177385299 207330157 /nfs/dbraw/zinc/33/01/57/207330157.db2.gz XDRYRPKBXRRPLC-UHFFFAOYSA-N 1 3 349.504 1.214 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)CN1Cc1ccccc1 ZINC000262798754 139304462 /nfs/dbraw/zinc/30/44/62/139304462.db2.gz OSCXJLOPQACOFC-OIISXLGYSA-N 1 3 333.501 1.861 20 0 EDADHO CS(=O)(=O)c1ccc(OCC[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422865776 252005519 /nfs/dbraw/zinc/00/55/19/252005519.db2.gz ZBYPDGOYIFZODT-HOTGVXAUSA-N 1 3 326.462 1.719 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000262895440 139311107 /nfs/dbraw/zinc/31/11/07/139311107.db2.gz XDNVHRQHILETLR-QFBILLFUSA-N 1 3 344.503 1.945 20 0 EDADHO CCN1CCN(Cc2ccc(CN[C@@H](C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888654 252012440 /nfs/dbraw/zinc/01/24/40/252012440.db2.gz DMSJMTMQIFITPT-FXAWDEMLSA-N 1 3 330.520 1.912 20 0 EDADHO CN(CCN[C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094570 252036739 /nfs/dbraw/zinc/03/67/39/252036739.db2.gz KKMBGBZOTQKVSF-IUODEOHRSA-N 1 3 329.441 1.163 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000423783782 252071759 /nfs/dbraw/zinc/07/17/59/252071759.db2.gz QDABEHOWVWOGTL-FHLIZLRMSA-N 1 3 331.460 1.377 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000423357087 252052457 /nfs/dbraw/zinc/05/24/57/252052457.db2.gz LLJYYXPZMZJLRM-UYAOXDASSA-N 1 3 345.487 1.874 20 0 EDADHO C[C@H](NCc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422912523 252019652 /nfs/dbraw/zinc/01/96/52/252019652.db2.gz WLYPHFBKTHBRHH-YJBOKZPZSA-N 1 3 332.492 1.598 20 0 EDADHO C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424004289 252112122 /nfs/dbraw/zinc/11/21/22/252112122.db2.gz FDYIPKXHPORKPE-ZWKOTPCHSA-N 1 3 344.503 1.642 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424195364 252157990 /nfs/dbraw/zinc/15/79/90/252157990.db2.gz ZGBPLVUWFZXSKQ-KRWDZBQOSA-N 1 3 344.503 1.787 20 0 EDADHO C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000424245830 252177117 /nfs/dbraw/zinc/17/71/17/252177117.db2.gz VCLAQVACQLNSGC-VJUNAUMWSA-N 1 3 327.432 1.009 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000424439700 252231902 /nfs/dbraw/zinc/23/19/02/252231902.db2.gz OSODKHXUXPTFPK-UKRRQHHQSA-N 1 3 346.475 1.629 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000569912166 306524567 /nfs/dbraw/zinc/52/45/67/306524567.db2.gz YMKMDKJQWAOYMQ-HNNXBMFYSA-N 1 3 331.464 1.597 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000112745205 220394911 /nfs/dbraw/zinc/39/49/11/220394911.db2.gz NZWDYNZDJZHCNM-SFHVURJKSA-N 1 3 332.492 1.897 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415786256 304270551 /nfs/dbraw/zinc/27/05/51/304270551.db2.gz LJOQSNWJPGFRSV-OAHLLOKOSA-N 1 3 332.448 1.465 20 0 EDADHO CN(C)C/C=C\C(=O)Nc1cc(F)cc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000493145735 255193102 /nfs/dbraw/zinc/19/31/02/255193102.db2.gz GLPHIHVJYLTMLP-SFECMWDFSA-N 1 3 348.422 1.938 20 0 EDADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000494287697 255244307 /nfs/dbraw/zinc/24/43/07/255244307.db2.gz LROYRVYKNUWFLN-INIZCTEOSA-N 1 3 337.464 1.005 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417748393 285320688 /nfs/dbraw/zinc/32/06/88/285320688.db2.gz IDLTZWPCTPFMHN-BBWFWOEESA-N 1 3 339.528 1.029 20 0 EDADHO CCO[C@@H](CCN(C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810303 140354341 /nfs/dbraw/zinc/35/43/41/140354341.db2.gz NASQBDORJZNMMZ-CVEARBPZSA-N 1 3 342.505 1.795 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810303 140354342 /nfs/dbraw/zinc/35/43/42/140354342.db2.gz NASQBDORJZNMMZ-CVEARBPZSA-N 1 3 342.505 1.795 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333811931 141385913 /nfs/dbraw/zinc/38/59/13/141385913.db2.gz FVRLYTIWEVSDTA-KBAYOESNSA-N 1 3 337.508 1.996 20 0 EDADHO COCC[N@H+](C)CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345764981 143130856 /nfs/dbraw/zinc/13/08/56/143130856.db2.gz LTNWSOIMIDYPCU-UHFFFAOYSA-N 1 3 328.416 1.555 20 0 EDADHO COCC[N@@H+](C)CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345764981 143130857 /nfs/dbraw/zinc/13/08/57/143130857.db2.gz LTNWSOIMIDYPCU-UHFFFAOYSA-N 1 3 328.416 1.555 20 0 EDADHO CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCN(CC)C[C@H]3C)C2)nc1 ZINC000346835148 143250209 /nfs/dbraw/zinc/25/02/09/143250209.db2.gz OMULUQVMBXHMEB-PBHICJAKSA-N 1 3 346.475 1.767 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCO1 ZINC000416844786 304351349 /nfs/dbraw/zinc/35/13/49/304351349.db2.gz QMCJQBBJLSGSET-KGLIPLIRSA-N 1 3 338.477 1.254 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])N2CCCC2)c1 ZINC000416855519 304352085 /nfs/dbraw/zinc/35/20/85/304352085.db2.gz QEOSGNVSDLRDQC-WMLDXEAASA-N 1 3 334.464 1.726 20 0 EDADHO CCCN(C(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416859432 304352396 /nfs/dbraw/zinc/35/23/96/304352396.db2.gz ZXUWLNRWUSTFKU-ZWKOTPCHSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(N(C)C)s2)CC1 ZINC000353350957 149376849 /nfs/dbraw/zinc/37/68/49/149376849.db2.gz MFQGSMVVVDHHKG-CYBMUJFWSA-N 1 3 326.510 1.734 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000416970468 304357373 /nfs/dbraw/zinc/35/73/73/304357373.db2.gz ATENUDZRPXSVJY-SFHVURJKSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000416973763 304358699 /nfs/dbraw/zinc/35/86/99/304358699.db2.gz VLVRTRPZWSGMOV-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO COCC1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000262339021 292218544 /nfs/dbraw/zinc/21/85/44/292218544.db2.gz GQRXOIGAGLFEBT-KRWDZBQOSA-N 1 3 333.476 1.942 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416980218 304360483 /nfs/dbraw/zinc/36/04/83/304360483.db2.gz YICBVESTSBVXSX-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)CN1 ZINC000417038057 304364582 /nfs/dbraw/zinc/36/45/82/304364582.db2.gz UJOKFCUYJFSDHH-CVEARBPZSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)CN1 ZINC000417038057 304364584 /nfs/dbraw/zinc/36/45/84/304364584.db2.gz UJOKFCUYJFSDHH-CVEARBPZSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417044674 304366009 /nfs/dbraw/zinc/36/60/09/304366009.db2.gz NIJFGWICQILFGV-UONOGXRCSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417044674 304366010 /nfs/dbraw/zinc/36/60/10/304366010.db2.gz NIJFGWICQILFGV-UONOGXRCSA-N 1 3 332.439 1.937 20 0 EDADHO CCN(CCNC(=O)NCC1(SC)CC[NH+](C)CC1)C1CC1 ZINC000357730770 151128756 /nfs/dbraw/zinc/12/87/56/151128756.db2.gz OLSBWDMGRWOVJZ-UHFFFAOYSA-N 1 3 328.526 1.597 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417073073 304369525 /nfs/dbraw/zinc/36/95/25/304369525.db2.gz HPWSJSDRAXVURQ-RYRKJORJSA-N 1 3 328.460 1.799 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000417073073 304369527 /nfs/dbraw/zinc/36/95/27/304369527.db2.gz HPWSJSDRAXVURQ-RYRKJORJSA-N 1 3 328.460 1.799 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357950374 151206972 /nfs/dbraw/zinc/20/69/72/151206972.db2.gz BZPZQTDECQQQEP-GDBMZVCRSA-N 1 3 330.542 1.843 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357950374 151206974 /nfs/dbraw/zinc/20/69/74/151206974.db2.gz BZPZQTDECQQQEP-GDBMZVCRSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167453 151293901 /nfs/dbraw/zinc/29/39/01/151293901.db2.gz MNXYWUAMCBZBJS-JFIYKMOQSA-N 1 3 331.460 1.596 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167453 151293904 /nfs/dbraw/zinc/29/39/04/151293904.db2.gz MNXYWUAMCBZBJS-JFIYKMOQSA-N 1 3 331.460 1.596 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358508666 151399689 /nfs/dbraw/zinc/39/96/89/151399689.db2.gz LQGROLBKHIQEJZ-UHFFFAOYSA-N 1 3 331.460 1.525 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417114973 304373968 /nfs/dbraw/zinc/37/39/68/304373968.db2.gz OHGNNVIZLYDALB-OAHLLOKOSA-N 1 3 340.537 1.741 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCC2)CCSC1 ZINC000360382946 152014132 /nfs/dbraw/zinc/01/41/32/152014132.db2.gz FTUMHWYRTGFDAX-MRXNPFEDSA-N 1 3 328.526 1.597 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(CCN2CCCCC2)c1 ZINC000360509447 152074218 /nfs/dbraw/zinc/07/42/18/152074218.db2.gz XTIFBSWYXVKBTM-INIZCTEOSA-N 1 3 345.491 1.583 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(CCN2CCCCC2)c1 ZINC000360509447 152074221 /nfs/dbraw/zinc/07/42/21/152074221.db2.gz XTIFBSWYXVKBTM-INIZCTEOSA-N 1 3 345.491 1.583 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC(C[NH+](C)C)CC2)CCSC1 ZINC000360751700 152186178 /nfs/dbraw/zinc/18/61/78/152186178.db2.gz BTUYQHCGEJOPBK-INIZCTEOSA-N 1 3 328.526 1.407 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CCSC1 ZINC000360752590 152186920 /nfs/dbraw/zinc/18/69/20/152186920.db2.gz FOPYKBMQUMVBDB-GJZGRUSLSA-N 1 3 346.566 1.160 20 0 EDADHO CC[N@H+](C)CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000367475807 154140919 /nfs/dbraw/zinc/14/09/19/154140919.db2.gz RPYSAUUXLIGLAS-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000367475807 154140922 /nfs/dbraw/zinc/14/09/22/154140922.db2.gz RPYSAUUXLIGLAS-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CCOCCNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886822 154313190 /nfs/dbraw/zinc/31/31/90/154313190.db2.gz QYNMIESWBLASIC-UHFFFAOYSA-N 1 3 334.464 1.383 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000372037556 156219697 /nfs/dbraw/zinc/21/96/97/156219697.db2.gz NCMREBLZWWQOKC-HNNXBMFYSA-N 1 3 344.459 1.166 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000372381954 156362167 /nfs/dbraw/zinc/36/21/67/156362167.db2.gz AJMJIMTZZLMALC-MSOLQXFVSA-N 1 3 346.475 1.015 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417526251 304403346 /nfs/dbraw/zinc/40/33/46/304403346.db2.gz MNIBKKNHPZAUSK-CRAIPNDOSA-N 1 3 348.491 1.467 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000373919509 157063704 /nfs/dbraw/zinc/06/37/04/157063704.db2.gz IFSJSISRWFPXAP-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000373919509 157063706 /nfs/dbraw/zinc/06/37/06/157063706.db2.gz IFSJSISRWFPXAP-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204038 158107932 /nfs/dbraw/zinc/10/79/32/158107932.db2.gz KNDWCKAREVVARA-IKGGRYGDSA-N 1 3 325.497 1.901 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000352149955 162014310 /nfs/dbraw/zinc/01/43/10/162014310.db2.gz VPLGLHFBSRCGAN-HUUCEWRRSA-N 1 3 326.485 1.269 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC[NH+]1CCCC1 ZINC000072826576 287257519 /nfs/dbraw/zinc/25/75/19/287257519.db2.gz GUHOTQUOFOYFFF-UHFFFAOYSA-N 1 3 330.476 1.411 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000073827307 287265268 /nfs/dbraw/zinc/26/52/68/287265268.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000073827307 287265270 /nfs/dbraw/zinc/26/52/70/287265270.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO CN(C)CCN(CCN(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043567 287349437 /nfs/dbraw/zinc/34/94/37/287349437.db2.gz NPNWCDTVMTYYNT-UHFFFAOYSA-N 1 3 341.544 1.242 20 0 EDADHO CN(CCc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000258917707 273016975 /nfs/dbraw/zinc/01/69/75/273016975.db2.gz NEZJRRAITQVUOY-UHFFFAOYSA-N 1 3 326.282 1.829 20 0 EDADHO CCCCN(CCCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274671065 268180300 /nfs/dbraw/zinc/18/03/00/268180300.db2.gz SLFUKRBRKXBEFW-GOSISDBHSA-N 1 3 335.492 1.890 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000274919048 268238311 /nfs/dbraw/zinc/23/83/11/268238311.db2.gz JBIUNGRTCZVIEQ-YJBOKZPZSA-N 1 3 347.503 1.689 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccoc2)n1 ZINC000108278170 272921902 /nfs/dbraw/zinc/92/19/02/272921902.db2.gz LUCDGEAHZLFBQB-UHFFFAOYSA-N 1 3 336.461 1.969 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000276319736 273159840 /nfs/dbraw/zinc/15/98/40/273159840.db2.gz WLKGHYMBWNLAHO-GOSISDBHSA-N 1 3 348.491 1.263 20 0 EDADHO CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)NC4CC[NH+](C5CC5)CC4)[C@H]1[C@H]3C2 ZINC000352676858 277316149 /nfs/dbraw/zinc/31/61/49/277316149.db2.gz URKQKGBSNNTQFK-IENPJVBLSA-N 1 3 333.476 1.085 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025438 278244346 /nfs/dbraw/zinc/24/43/46/278244346.db2.gz RCLWRNLRDYXARG-FUHWJXTLSA-N 1 3 347.507 1.259 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@H+](C)C1CC1 ZINC000105169889 278275313 /nfs/dbraw/zinc/27/53/13/278275313.db2.gz LWGXNGSPEKDBNA-RDJZCZTQSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@@H+](C)C1CC1 ZINC000105169889 278275316 /nfs/dbraw/zinc/27/53/16/278275316.db2.gz LWGXNGSPEKDBNA-RDJZCZTQSA-N 1 3 332.492 1.941 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351772008 278857319 /nfs/dbraw/zinc/85/73/19/278857319.db2.gz XQMBHUKYLFKFPA-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374850 279356406 /nfs/dbraw/zinc/35/64/06/279356406.db2.gz UTOVTVUYFIEHLL-IEBWSBKVSA-N 1 3 349.523 1.505 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753070 279358610 /nfs/dbraw/zinc/35/86/10/279358610.db2.gz NXFZEMCVYNMXKI-DLBZAZTESA-N 1 3 341.544 1.275 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000238044864 279791980 /nfs/dbraw/zinc/79/19/80/279791980.db2.gz ZENKTPZLXAYPDP-HZPDHXFCSA-N 1 3 325.522 1.949 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCC[C@@H]1C ZINC000354016290 280322737 /nfs/dbraw/zinc/32/27/37/280322737.db2.gz YOQADPUGFPQREU-RDJZCZTQSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H]1COCCN1CCN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342136 /nfs/dbraw/zinc/34/21/36/288342136.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1COCCN1CCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000337183778 288342139 /nfs/dbraw/zinc/34/21/39/288342139.db2.gz BXQQUMXHUYTHFQ-NEWSRXKRSA-N 1 3 332.492 1.727 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1OCCN(C)C ZINC000290137267 288846306 /nfs/dbraw/zinc/84/63/06/288846306.db2.gz KJSZMJJPXPEWLD-AEFFLSMTSA-N 1 3 333.476 1.877 20 0 EDADHO CN(C)[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000173935045 289186108 /nfs/dbraw/zinc/18/61/08/289186108.db2.gz QZIATXSAZNMQRF-INIZCTEOSA-N 1 3 344.463 1.869 20 0 EDADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413975 297095333 /nfs/dbraw/zinc/09/53/33/297095333.db2.gz BJOKJNXSSICYCK-QLFBSQMISA-N 1 3 331.464 1.196 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000418590740 304515602 /nfs/dbraw/zinc/51/56/02/304515602.db2.gz BSBMBZLUXQVLDA-DOTOQJQBSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419735726 304675036 /nfs/dbraw/zinc/67/50/36/304675036.db2.gz WFKDQSODXZSKLA-LSDHHAIUSA-N 1 3 346.475 1.039 20 0 EDADHO CC[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCOCC1 ZINC000294286878 303086787 /nfs/dbraw/zinc/08/67/87/303086787.db2.gz TVZDKZKRSBEZPI-QGZVFWFLSA-N 1 3 332.448 1.277 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377741405 447330946 /nfs/dbraw/zinc/33/09/46/447330946.db2.gz FHHGWORVIAWYPD-SFHVURJKSA-N 1 3 349.519 1.870 20 0 EDADHO COc1cc(Br)ccc1CNCCN1CC[NH2+]CC1 ZINC000414865340 447334566 /nfs/dbraw/zinc/33/45/66/447334566.db2.gz KUTIAWMCLZMXLL-UHFFFAOYSA-N 1 3 328.254 1.453 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000333940243 303789883 /nfs/dbraw/zinc/78/98/83/303789883.db2.gz NWLPUPNSSUVHEO-AWEZNQCLSA-N 1 3 326.510 1.399 20 0 EDADHO COCCNCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000423888095 304913533 /nfs/dbraw/zinc/91/35/33/304913533.db2.gz HEJJQDPISBHQCL-KRWDZBQOSA-N 1 3 335.448 1.184 20 0 EDADHO C[C@H]1C[C@@H]1N1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022113 /nfs/dbraw/zinc/02/21/13/305022113.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 1 3 339.524 1.119 20 0 EDADHO C[C@H]1C[C@@H]1N1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022114 /nfs/dbraw/zinc/02/21/14/305022114.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 1 3 339.524 1.119 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430580980 305057007 /nfs/dbraw/zinc/05/70/07/305057007.db2.gz IHNVVIPFHIXGNU-GOSISDBHSA-N 1 3 333.480 1.083 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000430610975 305058826 /nfs/dbraw/zinc/05/88/26/305058826.db2.gz MXBVHLDRGBVKDP-GFCCVEGCSA-N 1 3 327.831 1.809 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430673888 305062073 /nfs/dbraw/zinc/06/20/73/305062073.db2.gz HBOUAMHDGYLDAW-IXDOHACOSA-N 1 3 325.497 1.629 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430673888 305062074 /nfs/dbraw/zinc/06/20/74/305062074.db2.gz HBOUAMHDGYLDAW-IXDOHACOSA-N 1 3 325.497 1.629 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)COC3CNC3)cc2)CC1 ZINC000430750380 305063991 /nfs/dbraw/zinc/06/39/91/305063991.db2.gz ZITIXDXBDAWPQR-UHFFFAOYSA-N 1 3 331.460 1.523 20 0 EDADHO CC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430867959 305066369 /nfs/dbraw/zinc/06/63/69/305066369.db2.gz MBHMLNWJCHLWCK-INIZCTEOSA-N 1 3 332.448 1.102 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000433156957 305101987 /nfs/dbraw/zinc/10/19/87/305101987.db2.gz DLIJKAHDNFIMFN-RBUKOAKNSA-N 1 3 346.519 1.712 20 0 EDADHO CCc1cccc(OCCN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436049637 305151282 /nfs/dbraw/zinc/15/12/82/305151282.db2.gz LZBGIFUOQMABPB-KRWDZBQOSA-N 1 3 333.476 1.947 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCCC2CC[NH+](C)CC2)c1C ZINC000438200028 305182828 /nfs/dbraw/zinc/18/28/28/305182828.db2.gz JLLPMPKXFSGPQY-UHFFFAOYSA-N 1 3 336.480 1.885 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000441390924 305221979 /nfs/dbraw/zinc/22/19/79/305221979.db2.gz ZAEZAHOGWDUWCF-HSZRJFAPSA-N 1 3 335.517 1.829 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234293 305237292 /nfs/dbraw/zinc/23/72/92/305237292.db2.gz FLXFNSGWHWZBDH-XJKSGUPXSA-N 1 3 330.542 1.699 20 0 EDADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351141 /nfs/dbraw/zinc/35/11/41/305351141.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 1 3 337.508 1.822 20 0 EDADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@H]3CCCCO3)C2)CC1 ZINC000451527235 305351142 /nfs/dbraw/zinc/35/11/42/305351142.db2.gz DCOSGJIVHYJYRO-RBUKOAKNSA-N 1 3 337.508 1.822 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000516458876 305736914 /nfs/dbraw/zinc/73/69/14/305736914.db2.gz OJJGHBNYLIEXTE-YIOZNXECSA-N 1 3 335.492 1.510 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000521582883 305790660 /nfs/dbraw/zinc/79/06/60/305790660.db2.gz UYTODCGCPAZHSX-MOPGFXCFSA-N 1 3 341.459 1.986 20 0 EDADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[C@@H](N2CC=CC2)C1 ZINC000528711684 305886309 /nfs/dbraw/zinc/88/63/09/305886309.db2.gz FCJPKOHAUQOFRW-MRXNPFEDSA-N 1 3 328.416 1.647 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000425938320 447364512 /nfs/dbraw/zinc/36/45/12/447364512.db2.gz WVOSLJPFACYWBA-CABCVRRESA-N 1 3 341.496 1.354 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000425938320 447364517 /nfs/dbraw/zinc/36/45/17/447364517.db2.gz WVOSLJPFACYWBA-CABCVRRESA-N 1 3 341.496 1.354 20 0 EDADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1[C@H](C)C1CC1 ZINC000538621467 306031215 /nfs/dbraw/zinc/03/12/15/306031215.db2.gz DCRPINBRXYTZRB-OAHLLOKOSA-N 1 3 335.496 1.728 20 0 EDADHO Cn1cc(C(C)(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000542355020 306053177 /nfs/dbraw/zinc/05/31/77/306053177.db2.gz MQCNIECJHRBZLJ-UHFFFAOYSA-N 1 3 347.507 1.373 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000414943265 447367672 /nfs/dbraw/zinc/36/76/72/447367672.db2.gz FFOSMKDSZQUMAV-HOTGVXAUSA-N 1 3 332.448 1.334 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000545986628 306089107 /nfs/dbraw/zinc/08/91/07/306089107.db2.gz LHMSOVIQPIQEMU-FQEVSTJZSA-N 1 3 345.487 1.568 20 0 EDADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659446 306187272 /nfs/dbraw/zinc/18/72/72/306187272.db2.gz YQRWSTDGYARVHT-KZGGZSBBSA-N 1 3 336.480 1.465 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000557197041 306226249 /nfs/dbraw/zinc/22/62/49/306226249.db2.gz NLUDPCBMRJNPIH-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C[NH+](C)C ZINC000414981273 447383070 /nfs/dbraw/zinc/38/30/70/447383070.db2.gz WWQWXBIALPNPDP-GFCCVEGCSA-N 1 3 332.448 1.321 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497909 447389263 /nfs/dbraw/zinc/38/92/63/447389263.db2.gz HWQWKGDWYOABPF-GDBMZVCRSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497909 447389267 /nfs/dbraw/zinc/38/92/67/447389267.db2.gz HWQWKGDWYOABPF-GDBMZVCRSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415425653 447426766 /nfs/dbraw/zinc/42/67/66/447426766.db2.gz LLTQGXGDIYOFTR-QGZVFWFLSA-N 1 3 346.475 1.711 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000105082569 441231607 /nfs/dbraw/zinc/23/16/07/441231607.db2.gz IJLLINPOZHZZRM-GOSISDBHSA-N 1 3 332.492 1.800 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000105233300 441244483 /nfs/dbraw/zinc/24/44/83/441244483.db2.gz GFWGVJHERDAYCL-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073013047 441286234 /nfs/dbraw/zinc/28/62/34/441286234.db2.gz RNBZJCGWSSAPNG-QGZVFWFLSA-N 1 3 330.476 1.267 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073013047 441286237 /nfs/dbraw/zinc/28/62/37/441286237.db2.gz RNBZJCGWSSAPNG-QGZVFWFLSA-N 1 3 330.476 1.267 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243144 441304184 /nfs/dbraw/zinc/30/41/84/441304184.db2.gz BHFRGRZRCLRQGY-SFHVURJKSA-N 1 3 346.475 1.743 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243144 441304188 /nfs/dbraw/zinc/30/41/88/441304188.db2.gz BHFRGRZRCLRQGY-SFHVURJKSA-N 1 3 346.475 1.743 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000074604958 441448980 /nfs/dbraw/zinc/44/89/80/441448980.db2.gz VZHWXDUAAOGRAV-CVEARBPZSA-N 1 3 340.512 1.469 20 0 EDADHO CCCC[N@H+](C)CC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052210032 441440252 /nfs/dbraw/zinc/44/02/52/441440252.db2.gz OOWXQVPLYGLOFA-UHFFFAOYSA-N 1 3 338.496 1.761 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052210032 441440258 /nfs/dbraw/zinc/44/02/58/441440258.db2.gz OOWXQVPLYGLOFA-UHFFFAOYSA-N 1 3 338.496 1.761 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536811 441782895 /nfs/dbraw/zinc/78/28/95/441782895.db2.gz PGINQVMBRGAYAE-HNNXBMFYSA-N 1 3 349.479 1.265 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536811 441782896 /nfs/dbraw/zinc/78/28/96/441782896.db2.gz PGINQVMBRGAYAE-HNNXBMFYSA-N 1 3 349.479 1.265 20 0 EDADHO CN1CCN(CCCCNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000077542664 441802801 /nfs/dbraw/zinc/80/28/01/441802801.db2.gz YCRQHJKPRVDOIG-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2cnn(C)c2)CC1 ZINC000077654782 441823946 /nfs/dbraw/zinc/82/39/46/441823946.db2.gz VWABKOPUWHRCHP-UHFFFAOYSA-N 1 3 349.523 1.523 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000077758583 441849296 /nfs/dbraw/zinc/84/92/96/441849296.db2.gz UXCZWWXPUMGZFS-UHFFFAOYSA-N 1 3 332.492 1.853 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077775214 441857098 /nfs/dbraw/zinc/85/70/98/441857098.db2.gz ZSQBKVVPJWGHED-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077775214 441857104 /nfs/dbraw/zinc/85/71/04/441857104.db2.gz ZSQBKVVPJWGHED-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000174022293 441879540 /nfs/dbraw/zinc/87/95/40/441879540.db2.gz AEYGXQBQXIWPSD-UHFFFAOYSA-N 1 3 344.503 1.718 20 0 EDADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289400 442032785 /nfs/dbraw/zinc/03/27/85/442032785.db2.gz YVFSLOREDLRVJR-MRXNPFEDSA-N 1 3 325.497 1.819 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC1Cc2ccccc2C1 ZINC000127102995 442171172 /nfs/dbraw/zinc/17/11/72/442171172.db2.gz WSAGGMWKPIHOHK-UHFFFAOYSA-N 1 3 346.519 1.926 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C3CC[NH2+]CC3)ccc2oc1=O ZINC000166617062 442217603 /nfs/dbraw/zinc/21/76/03/442217603.db2.gz YCWHKATZLYRFAR-UHFFFAOYSA-N 1 3 332.404 1.094 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000168985054 442225216 /nfs/dbraw/zinc/22/52/16/442225216.db2.gz CWLQCVHRMVNWGS-AWEZNQCLSA-N 1 3 327.519 1.909 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc21 ZINC000169234974 442225907 /nfs/dbraw/zinc/22/59/07/442225907.db2.gz BTWCOCRAKZTLAE-KRWDZBQOSA-N 1 3 344.459 1.910 20 0 EDADHO COc1cccc(COC[C@@H](O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177058804 442291707 /nfs/dbraw/zinc/29/17/07/442291707.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 1 3 336.476 1.987 20 0 EDADHO COc1cccc(COC[C@@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177058804 442291710 /nfs/dbraw/zinc/29/17/10/442291710.db2.gz AWIUYUNJLWNMMH-NJAFHUGGSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177060720 442292340 /nfs/dbraw/zinc/29/23/40/442292340.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177060720 442292342 /nfs/dbraw/zinc/29/23/42/442292342.db2.gz SQFPZYBOOAVIEQ-NXHRZFHOSA-N 1 3 336.476 1.987 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CSCCS3)CC2)CC1 ZINC000177061937 442292417 /nfs/dbraw/zinc/29/24/17/442292417.db2.gz GSKBPYXCXPNYDC-HNNXBMFYSA-N 1 3 343.562 1.510 20 0 EDADHO CSCC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689304 442457232 /nfs/dbraw/zinc/45/72/32/442457232.db2.gz OMWWBUAPMCTAKT-QGZVFWFLSA-N 1 3 335.517 1.890 20 0 EDADHO COCCOC[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192748207 442682967 /nfs/dbraw/zinc/68/29/67/442682967.db2.gz ZNXZPEHZRPMGHC-SFHVURJKSA-N 1 3 327.513 1.387 20 0 EDADHO COCCOC[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192748207 442682970 /nfs/dbraw/zinc/68/29/70/442682970.db2.gz ZNXZPEHZRPMGHC-SFHVURJKSA-N 1 3 327.513 1.387 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000187933503 442698657 /nfs/dbraw/zinc/69/86/57/442698657.db2.gz KFKIMJWKSQGNRF-IJEWVQPXSA-N 1 3 337.489 1.453 20 0 EDADHO CC(C)CCNC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936069 442670083 /nfs/dbraw/zinc/67/00/83/442670083.db2.gz GPJANWRLOVCTOL-MRXNPFEDSA-N 1 3 326.529 1.495 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncn1 ZINC000246499110 442786824 /nfs/dbraw/zinc/78/68/24/442786824.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 1 3 332.496 1.805 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ncn1 ZINC000246499110 442786827 /nfs/dbraw/zinc/78/68/27/442786827.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 1 3 332.496 1.805 20 0 EDADHO Cc1ccc([C@H](CNC(=O)c2[nH]nc3c2CNCC3)[NH+](C)C)cc1 ZINC000188734582 442799160 /nfs/dbraw/zinc/79/91/60/442799160.db2.gz OJFPOENREWQSOP-INIZCTEOSA-N 1 3 327.432 1.397 20 0 EDADHO COC(=O)COc1c(C)cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000194534822 442911616 /nfs/dbraw/zinc/91/16/16/442911616.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 1 3 332.444 1.849 20 0 EDADHO COC(=O)COc1c(C)cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1C ZINC000194534822 442911619 /nfs/dbraw/zinc/91/16/19/442911619.db2.gz QGXITEBQJZHTFF-CALCHBBNSA-N 1 3 332.444 1.849 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000265771548 442914590 /nfs/dbraw/zinc/91/45/90/442914590.db2.gz SSBUDAHERLCVML-ZWKOTPCHSA-N 1 3 348.491 1.179 20 0 EDADHO CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CC1 ZINC000248670199 442916153 /nfs/dbraw/zinc/91/61/53/442916153.db2.gz QDIHGRIILCYBJD-VIHIWDAPSA-N 1 3 338.492 1.887 20 0 EDADHO CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CC1 ZINC000248670199 442916157 /nfs/dbraw/zinc/91/61/57/442916157.db2.gz QDIHGRIILCYBJD-VIHIWDAPSA-N 1 3 338.492 1.887 20 0 EDADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204678 442960801 /nfs/dbraw/zinc/96/08/01/442960801.db2.gz VMOKVEKILCFDHD-WOJBJXKFSA-N 1 3 348.487 1.784 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141785 442988466 /nfs/dbraw/zinc/98/84/66/442988466.db2.gz AHMPRSBBNLGPOR-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141785 442988469 /nfs/dbraw/zinc/98/84/69/442988469.db2.gz AHMPRSBBNLGPOR-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H]1CC[C@@H](CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590123 443143547 /nfs/dbraw/zinc/14/35/47/443143547.db2.gz JNKCFZHFDYJAJQ-RDJZCZTQSA-N 1 3 339.524 1.970 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262267799 443188065 /nfs/dbraw/zinc/18/80/65/443188065.db2.gz MRTWQFBSNKBIHR-HOTGVXAUSA-N 1 3 333.480 1.198 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000236946947 443153352 /nfs/dbraw/zinc/15/33/52/443153352.db2.gz BKIUGNPHUATQFD-QFBILLFUSA-N 1 3 344.503 1.263 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000262982763 443220651 /nfs/dbraw/zinc/22/06/51/443220651.db2.gz YYLKJFMHAGZQLP-AWEZNQCLSA-N 1 3 325.478 1.440 20 0 EDADHO COc1cccc([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)N2CCCC2)c1 ZINC000269228281 443241864 /nfs/dbraw/zinc/24/18/64/443241864.db2.gz GKCRXLDFTADVIA-QZTJIDSGSA-N 1 3 347.459 1.327 20 0 EDADHO COc1cccc([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)N2CCCC2)c1 ZINC000269228280 443241885 /nfs/dbraw/zinc/24/18/85/443241885.db2.gz GKCRXLDFTADVIA-MSOLQXFVSA-N 1 3 347.459 1.327 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656744 443206442 /nfs/dbraw/zinc/20/64/42/443206442.db2.gz VAQNBPWWGMCBMU-SQNIBIBYSA-N 1 3 338.540 1.402 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000269250699 443251401 /nfs/dbraw/zinc/25/14/01/443251401.db2.gz SMNFXCNBYNTNOM-MRXNPFEDSA-N 1 3 334.464 1.680 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000411555390 319184335 /nfs/dbraw/zinc/18/43/35/319184335.db2.gz GVMWAMSYDJVABL-IAGOWNOFSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@H](C(=O)N(C)c1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000411741166 319199544 /nfs/dbraw/zinc/19/95/44/319199544.db2.gz ZFTOAQUKXURRQX-QGZVFWFLSA-N 1 3 334.508 1.853 20 0 EDADHO CN1CCC(C[NH2+]C2Cc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414202160 319319201 /nfs/dbraw/zinc/31/92/01/319319201.db2.gz UEOSJBWGWPCKCL-UHFFFAOYSA-N 1 3 329.488 1.540 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCN(c3ccccc3)CC2)C1 ZINC000414683862 319341548 /nfs/dbraw/zinc/34/15/48/319341548.db2.gz CDHZAGSASWJBNJ-QGZVFWFLSA-N 1 3 330.476 1.396 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCN(c3ccccc3)CC2)C1 ZINC000414683862 319341551 /nfs/dbraw/zinc/34/15/51/319341551.db2.gz CDHZAGSASWJBNJ-QGZVFWFLSA-N 1 3 330.476 1.396 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000414692319 319343565 /nfs/dbraw/zinc/34/35/65/319343565.db2.gz ATZDRCUZECQKGB-CQSZACIVSA-N 1 3 332.448 1.193 20 0 EDADHO Cc1cccc(C)c1OCCC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415087582 319346423 /nfs/dbraw/zinc/34/64/23/319346423.db2.gz WEQXYAVEXYDCOF-KRWDZBQOSA-N 1 3 333.476 1.859 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415997739 319388461 /nfs/dbraw/zinc/38/84/61/319388461.db2.gz SBZFUJXRVBFZRO-CHWSQXEVSA-N 1 3 332.370 1.868 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000416851893 319466527 /nfs/dbraw/zinc/46/65/27/319466527.db2.gz RWVHNXRWQYMKJP-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419005146 319540123 /nfs/dbraw/zinc/54/01/23/319540123.db2.gz RRCRZBPULWFXCB-QGZVFWFLSA-N 1 3 346.475 1.041 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000267319060 443416489 /nfs/dbraw/zinc/41/64/89/443416489.db2.gz NFRLSFDSNKFTTM-CQSZACIVSA-N 1 3 334.464 1.452 20 0 EDADHO CCOC(=O)C1([C@@H](C)NC[C@@](C)(O)C(F)(F)F)CC[NH2+]CC1 ZINC000423016423 319746378 /nfs/dbraw/zinc/74/63/78/319746378.db2.gz SWDRZQLZHGRLSO-ZYHUDNBSSA-N 1 3 326.359 1.211 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCCN(C)C ZINC000264980536 443498670 /nfs/dbraw/zinc/49/86/70/443498670.db2.gz QZKNVRFCCZKZEA-HOTGVXAUSA-N 1 3 331.460 1.936 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCCN(C)C ZINC000264980536 443498675 /nfs/dbraw/zinc/49/86/75/443498675.db2.gz QZKNVRFCCZKZEA-HOTGVXAUSA-N 1 3 331.460 1.936 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC000272282528 443578898 /nfs/dbraw/zinc/57/88/98/443578898.db2.gz BVOQZKGQORUEEP-ROUUACIJSA-N 1 3 330.476 1.984 20 0 EDADHO COCCN(C)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276200615 443668461 /nfs/dbraw/zinc/66/84/61/443668461.db2.gz YLBFQSCATZUMGY-UHFFFAOYSA-N 1 3 336.480 1.168 20 0 EDADHO CCN1CCN(c2ccccc2CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000449522015 320193526 /nfs/dbraw/zinc/19/35/26/320193526.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 1 3 328.504 1.964 20 0 EDADHO CCN1CCN(c2ccccc2CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000449522015 320193527 /nfs/dbraw/zinc/19/35/27/320193527.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 1 3 328.504 1.964 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711509 320339212 /nfs/dbraw/zinc/33/92/12/320339212.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711509 320339213 /nfs/dbraw/zinc/33/92/13/320339213.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC(C)(C)CCC[NH+](C)C)CCCO1 ZINC000458733417 320339767 /nfs/dbraw/zinc/33/97/67/320339767.db2.gz SXTFJDJFOFNGQR-MRXNPFEDSA-N 1 3 342.528 1.907 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 ZINC000276299523 443684168 /nfs/dbraw/zinc/68/41/68/443684168.db2.gz QPLNGHVGIBHNDO-LJQANCHMSA-N 1 3 342.487 1.946 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512421206 320428374 /nfs/dbraw/zinc/42/83/74/320428374.db2.gz HXUKZYVBEGOGEQ-ULQDDVLXSA-N 1 3 339.528 1.137 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000516179326 320433654 /nfs/dbraw/zinc/43/36/54/320433654.db2.gz LPYHPJKYWPEHCH-UHFFFAOYSA-N 1 3 347.463 1.970 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000288858607 443999937 /nfs/dbraw/zinc/99/99/37/443999937.db2.gz XKKPRCOKIWXILU-VQIMIIECSA-N 1 3 344.503 1.935 20 0 EDADHO CN1CCN(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000560870738 321029170 /nfs/dbraw/zinc/02/91/70/321029170.db2.gz NLVFYJIYFHHWNB-WOJBJXKFSA-N 1 3 346.519 1.021 20 0 EDADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000562293966 321050233 /nfs/dbraw/zinc/05/02/33/321050233.db2.gz PSIQMNKFYIXPBY-ZWKOTPCHSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986941 321085027 /nfs/dbraw/zinc/08/50/27/321085027.db2.gz DJGXQSQWZPWBHA-HLLBOEOZSA-N 1 3 327.513 1.309 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986941 321085025 /nfs/dbraw/zinc/08/50/25/321085025.db2.gz DJGXQSQWZPWBHA-HLLBOEOZSA-N 1 3 327.513 1.309 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COC1CCOCC1 ZINC000562985521 321085136 /nfs/dbraw/zinc/08/51/36/321085136.db2.gz LJXZRWXCIMTHRR-IBGZPJMESA-N 1 3 348.487 1.929 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)on3)CC2)CC1 ZINC000565314196 321181396 /nfs/dbraw/zinc/18/13/96/321181396.db2.gz VFXCOSUPZUUJRV-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000565366087 321184019 /nfs/dbraw/zinc/18/40/19/321184019.db2.gz NUNRZDOJGYRIQZ-GOSISDBHSA-N 1 3 332.492 1.930 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288196 321286163 /nfs/dbraw/zinc/28/61/63/321286163.db2.gz XBUSLUJPFYPAGM-OALUTQOASA-N 1 3 344.503 1.944 20 0 EDADHO COc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccn1 ZINC000573458667 321455302 /nfs/dbraw/zinc/45/53/02/321455302.db2.gz CBCALCWZNDKKSB-MRXNPFEDSA-N 1 3 348.491 1.537 20 0 EDADHO CCc1cc(N(C)C[C@H](O)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302696224 444220485 /nfs/dbraw/zinc/22/04/85/444220485.db2.gz WLQKYRVOFCMMJJ-KRWDZBQOSA-N 1 3 342.487 1.842 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000290046038 444234662 /nfs/dbraw/zinc/23/46/62/444234662.db2.gz RHEGNCBUXURRKZ-FQEVSTJZSA-N 1 3 346.519 1.475 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000290046038 444234664 /nfs/dbraw/zinc/23/46/64/444234664.db2.gz RHEGNCBUXURRKZ-FQEVSTJZSA-N 1 3 346.519 1.475 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCCCCC1 ZINC000339989562 444349617 /nfs/dbraw/zinc/34/96/17/444349617.db2.gz NNIJPYMSRCUHAC-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065385 322004040 /nfs/dbraw/zinc/00/40/40/322004040.db2.gz USHVKSWAQVJXJG-JZXOWHBKSA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)CN1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065385 322004042 /nfs/dbraw/zinc/00/40/42/322004042.db2.gz USHVKSWAQVJXJG-JZXOWHBKSA-N 1 3 327.513 1.167 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3[nH]cnc3C)CC2)CC1 ZINC000580091691 322009123 /nfs/dbraw/zinc/00/91/23/322009123.db2.gz JOMLGXJEQMKEMG-UHFFFAOYSA-N 1 3 333.480 1.531 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000580821318 322099431 /nfs/dbraw/zinc/09/94/31/322099431.db2.gz VSADDJGIGMDQRG-SFHVURJKSA-N 1 3 345.491 1.996 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000580960707 322118331 /nfs/dbraw/zinc/11/83/31/322118331.db2.gz ANYSHKFMTFUSAH-SQNIBIBYSA-N 1 3 336.524 1.345 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000581597161 322196641 /nfs/dbraw/zinc/19/66/41/322196641.db2.gz KPSQMZRPCOHEGD-DLBZAZTESA-N 1 3 332.448 1.020 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000332940902 444604922 /nfs/dbraw/zinc/60/49/22/444604922.db2.gz IRVHYZYSHROYJM-GOEBONIOSA-N 1 3 338.496 1.004 20 0 EDADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000333555844 444680588 /nfs/dbraw/zinc/68/05/88/444680588.db2.gz KUBMFFNMRQLKMT-CTWPCTMYSA-N 1 3 342.487 1.034 20 0 EDADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000333555844 444680590 /nfs/dbraw/zinc/68/05/90/444680590.db2.gz KUBMFFNMRQLKMT-CTWPCTMYSA-N 1 3 342.487 1.034 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333888828 444708617 /nfs/dbraw/zinc/70/86/17/444708617.db2.gz XTEYXYKCJSFKNY-CRAIPNDOSA-N 1 3 338.496 1.271 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN3CCC2CC3)CC1 ZINC000341189248 444718503 /nfs/dbraw/zinc/71/85/03/444718503.db2.gz IXPNCUKMHDZLQG-UHFFFAOYSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333939291 444724335 /nfs/dbraw/zinc/72/43/35/444724335.db2.gz NDMIYOOVJYWXSD-GASCZTMLSA-N 1 3 338.496 1.127 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333939291 444724340 /nfs/dbraw/zinc/72/43/40/444724340.db2.gz NDMIYOOVJYWXSD-GASCZTMLSA-N 1 3 338.496 1.127 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000336878481 444824387 /nfs/dbraw/zinc/82/43/87/444824387.db2.gz FQAVWYNPXYKQHH-OAFZBRQQSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000336878481 444824390 /nfs/dbraw/zinc/82/43/90/444824390.db2.gz FQAVWYNPXYKQHH-OAFZBRQQSA-N 1 3 337.508 1.900 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CCN3CCC2CC3)Cc2ccccc2C1 ZINC000341549853 444889206 /nfs/dbraw/zinc/88/92/06/444889206.db2.gz MYRLLZDVMOXYHU-UHFFFAOYSA-N 1 3 342.487 1.575 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(O)CCOC)CC1 ZINC000344340241 444905636 /nfs/dbraw/zinc/90/56/36/444905636.db2.gz LVSDRTBLDXJRQB-LJQANCHMSA-N 1 3 335.492 1.706 20 0 EDADHO CCNc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723968 444971172 /nfs/dbraw/zinc/97/11/72/444971172.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 1 3 333.484 1.396 20 0 EDADHO CCNc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723968 444971174 /nfs/dbraw/zinc/97/11/74/444971174.db2.gz ULFVWAXTBMGLIV-STQMWFEESA-N 1 3 333.484 1.396 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061305 445013926 /nfs/dbraw/zinc/01/39/26/445013926.db2.gz HMUKWPXXGNMFPT-UZLBHIALSA-N 1 3 349.494 1.829 20 0 EDADHO CCc1cc(OC)ccc1C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000337347604 445042327 /nfs/dbraw/zinc/04/23/27/445042327.db2.gz XSCJJKIXVYIDMR-QGZVFWFLSA-N 1 3 333.476 1.935 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343150513 445098907 /nfs/dbraw/zinc/09/89/07/445098907.db2.gz KJPDTUIEIJHNLD-ZACQAIPSSA-N 1 3 336.524 1.249 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C1 ZINC000346182824 445207869 /nfs/dbraw/zinc/20/78/69/445207869.db2.gz DXXYGNJBGGBHPH-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348102380 445269001 /nfs/dbraw/zinc/26/90/01/445269001.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348102380 445269004 /nfs/dbraw/zinc/26/90/04/445269004.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 1 3 337.487 1.749 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCN1C ZINC000343619079 445265962 /nfs/dbraw/zinc/26/59/62/445265962.db2.gz JQPKDBOCBXIIEF-YJBOKZPZSA-N 1 3 348.491 1.909 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351772007 445316029 /nfs/dbraw/zinc/31/60/29/445316029.db2.gz XQMBHUKYLFKFPA-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280604 /nfs/dbraw/zinc/28/06/04/445280604.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 1 3 327.513 1.261 20 0 EDADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280607 /nfs/dbraw/zinc/28/06/07/445280607.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 1 3 327.513 1.261 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280610 /nfs/dbraw/zinc/28/06/10/445280610.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 1 3 327.513 1.261 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000354527119 445280615 /nfs/dbraw/zinc/28/06/15/445280615.db2.gz CPBXTEVVJCHZHV-JCECYMMASA-N 1 3 327.513 1.261 20 0 EDADHO CC1CCN(CC(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000354669252 445333184 /nfs/dbraw/zinc/33/31/84/445333184.db2.gz KIXUQLAFKMFCIW-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863713 445347320 /nfs/dbraw/zinc/34/73/20/445347320.db2.gz UQUKAPDKPPTVHA-CABCVRRESA-N 1 3 344.459 1.811 20 0 EDADHO CC[C@@H]1C[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCO1 ZINC000356968113 445352167 /nfs/dbraw/zinc/35/21/67/445352167.db2.gz QDXJWTDWPXEZDS-NVXWUHKLSA-N 1 3 325.497 1.581 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000359643360 445353418 /nfs/dbraw/zinc/35/34/18/445353418.db2.gz DDWLLPLLPKEKCT-IBGZPJMESA-N 1 3 333.476 1.724 20 0 EDADHO CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000349027369 445480513 /nfs/dbraw/zinc/48/05/13/445480513.db2.gz MLUHSGIBNMORSS-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO Cc1c(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cnn1C ZINC000348898118 445433520 /nfs/dbraw/zinc/43/35/20/445433520.db2.gz WSGARSKSTKELFG-UHFFFAOYSA-N 1 3 347.507 1.543 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000349408591 445579361 /nfs/dbraw/zinc/57/93/61/445579361.db2.gz GDAJIIUMISNAPY-MRXNPFEDSA-N 1 3 340.512 1.166 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000349408591 445579364 /nfs/dbraw/zinc/57/93/64/445579364.db2.gz GDAJIIUMISNAPY-MRXNPFEDSA-N 1 3 340.512 1.166 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCCOc1ccccc1F ZINC000358504515 445623853 /nfs/dbraw/zinc/62/38/53/445623853.db2.gz HAVBQOBFIUFKTN-UHFFFAOYSA-N 1 3 349.450 1.786 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccncc1)C1CCCCC1 ZINC000356229529 445687602 /nfs/dbraw/zinc/68/76/02/445687602.db2.gz AFADQLLFTFAROL-KRWDZBQOSA-N 1 3 333.480 1.725 20 0 EDADHO CC(C)OCC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851567 445698683 /nfs/dbraw/zinc/69/86/83/445698683.db2.gz HPLUNODISZZKKD-WMZOPIPTSA-N 1 3 327.513 1.263 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931992 445724747 /nfs/dbraw/zinc/72/47/47/445724747.db2.gz IFCJXBFAQKEFRB-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360742692 445730449 /nfs/dbraw/zinc/73/04/49/445730449.db2.gz ADLBRACKZFNQOV-VYDXJSESSA-N 1 3 340.537 1.692 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360742692 445730455 /nfs/dbraw/zinc/73/04/55/445730455.db2.gz ADLBRACKZFNQOV-VYDXJSESSA-N 1 3 340.537 1.692 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762135 445743311 /nfs/dbraw/zinc/74/33/11/445743311.db2.gz XUHNXPUMGIZTLP-MRXNPFEDSA-N 1 3 339.480 1.252 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000353773544 445748415 /nfs/dbraw/zinc/74/84/15/445748415.db2.gz OQRMEAHYODLFHA-IBGZPJMESA-N 1 3 348.535 1.347 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000358740940 445753221 /nfs/dbraw/zinc/75/32/21/445753221.db2.gz AKBULGIRWBLMOU-KBPBESRZSA-N 1 3 327.494 1.942 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361583871 445832668 /nfs/dbraw/zinc/83/26/68/445832668.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000361583871 445832671 /nfs/dbraw/zinc/83/26/71/445832671.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 1 3 338.496 1.413 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359028394 445897163 /nfs/dbraw/zinc/89/71/63/445897163.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 1 3 328.501 1.515 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359028394 445897165 /nfs/dbraw/zinc/89/71/65/445897165.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 1 3 328.501 1.515 20 0 EDADHO CN(CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC1 ZINC000361784794 445942832 /nfs/dbraw/zinc/94/28/32/445942832.db2.gz FVUSQKPJYYYHHN-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000582477772 325854269 /nfs/dbraw/zinc/85/42/69/325854269.db2.gz LYXCXRYJKSMYPJ-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO C[NH+]1CCC(CCNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000582535884 325867349 /nfs/dbraw/zinc/86/73/49/325867349.db2.gz ZVDQZVCMWJHLIJ-GOSISDBHSA-N 1 3 330.476 1.905 20 0 EDADHO CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCc3cnc(C)n3C2)CC1 ZINC000583267045 326039092 /nfs/dbraw/zinc/03/90/92/326039092.db2.gz GKFLUHYWFIAOFI-KRWDZBQOSA-N 1 3 347.507 1.288 20 0 EDADHO COCCCN1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141622 /nfs/dbraw/zinc/14/16/22/446141622.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 1 3 325.497 1.819 20 0 EDADHO COCCCN1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141626 /nfs/dbraw/zinc/14/16/26/446141626.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 1 3 325.497 1.819 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000359376151 446182586 /nfs/dbraw/zinc/18/25/86/446182586.db2.gz SAUZPIVVWSPQMB-UHFFFAOYSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000365404959 446191497 /nfs/dbraw/zinc/19/14/97/446191497.db2.gz RSNQKOCKURJRNW-NSHDSACASA-N 1 3 338.374 1.181 20 0 EDADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000365404959 446191499 /nfs/dbraw/zinc/19/14/99/446191499.db2.gz RSNQKOCKURJRNW-NSHDSACASA-N 1 3 338.374 1.181 20 0 EDADHO CC1CCN(CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369671919 446145347 /nfs/dbraw/zinc/14/53/47/446145347.db2.gz WXHUIIXQRVZNFL-UHFFFAOYSA-N 1 3 348.495 2.003 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000370299390 446221261 /nfs/dbraw/zinc/22/12/61/446221261.db2.gz TUXKBYJIWLHESW-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000370299390 446221263 /nfs/dbraw/zinc/22/12/63/446221263.db2.gz TUXKBYJIWLHESW-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000366563280 446263022 /nfs/dbraw/zinc/26/30/22/446263022.db2.gz CVZQEFKLYQPCPJ-SFHVURJKSA-N 1 3 342.487 1.700 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000366565309 446264346 /nfs/dbraw/zinc/26/43/46/446264346.db2.gz IVWDPLZHGZACLG-HOTGVXAUSA-N 1 3 334.439 1.258 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000365663946 446293059 /nfs/dbraw/zinc/29/30/59/446293059.db2.gz QFUYQCQJKDBNEQ-VNQPRFMTSA-N 1 3 329.448 1.889 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000365663946 446293063 /nfs/dbraw/zinc/29/30/63/446293063.db2.gz QFUYQCQJKDBNEQ-VNQPRFMTSA-N 1 3 329.448 1.889 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000417333131 446346664 /nfs/dbraw/zinc/34/66/64/446346664.db2.gz PLBPMOGAYJPPJY-GJZGRUSLSA-N 1 3 348.491 1.942 20 0 EDADHO CCN1CCN(CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000376122124 446343778 /nfs/dbraw/zinc/34/37/78/446343778.db2.gz FGQCXOGVYFHLQG-OQSMONGASA-N 1 3 336.524 1.284 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619925 446360546 /nfs/dbraw/zinc/36/05/46/446360546.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 1 3 348.539 1.443 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619925 446360550 /nfs/dbraw/zinc/36/05/50/446360550.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 1 3 348.539 1.443 20 0 EDADHO COCC[N@H+](C)CC[C@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417517446 446360555 /nfs/dbraw/zinc/36/05/55/446360555.db2.gz QERYVWHPUDQKTR-SFHVURJKSA-N 1 3 348.491 1.701 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417517446 446360561 /nfs/dbraw/zinc/36/05/61/446360561.db2.gz QERYVWHPUDQKTR-SFHVURJKSA-N 1 3 348.491 1.701 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000417545790 446364025 /nfs/dbraw/zinc/36/40/25/446364025.db2.gz KOUUBWUWIYSGCY-KGLIPLIRSA-N 1 3 326.485 1.268 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000417953960 446398281 /nfs/dbraw/zinc/39/82/81/446398281.db2.gz PWYMNPZQSZZZDT-ZBFHGGJFSA-N 1 3 349.479 1.339 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418075784 446432859 /nfs/dbraw/zinc/43/28/59/446432859.db2.gz QCZUYYAKQFCLCZ-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO COc1ccc(C[C@](C)(O)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423141506 446437586 /nfs/dbraw/zinc/43/75/86/446437586.db2.gz QLYQQYVKASMMJK-QOKNQOGYSA-N 1 3 336.476 1.975 20 0 EDADHO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC ZINC000423141506 446437588 /nfs/dbraw/zinc/43/75/88/446437588.db2.gz QLYQQYVKASMMJK-QOKNQOGYSA-N 1 3 336.476 1.975 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000418184998 446450619 /nfs/dbraw/zinc/45/06/19/446450619.db2.gz AHISLZUMSNSPND-YUELXQCFSA-N 1 3 340.418 1.931 20 0 EDADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000366907167 446406927 /nfs/dbraw/zinc/40/69/27/446406927.db2.gz AXDWNMJCRIFGJY-QZTJIDSGSA-N 1 3 349.519 1.964 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417995591 446410337 /nfs/dbraw/zinc/41/03/37/446410337.db2.gz QGLHJLFSRYTXRV-MSOLQXFVSA-N 1 3 346.475 1.276 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000418009145 446414494 /nfs/dbraw/zinc/41/44/94/446414494.db2.gz HVQDTHYHMLKBLH-DOTOQJQBSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000418009145 446414496 /nfs/dbraw/zinc/41/44/96/446414496.db2.gz HVQDTHYHMLKBLH-DOTOQJQBSA-N 1 3 330.476 1.900 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000432488152 446474323 /nfs/dbraw/zinc/47/43/23/446474323.db2.gz CVKHGCLTYYLKFX-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326636 446493304 /nfs/dbraw/zinc/49/33/04/446493304.db2.gz COCBIVNRDYEOMB-OWCLPIDISA-N 1 3 334.464 2.412 20 0 EDADHO COCc1ccc(CNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420327109 446495723 /nfs/dbraw/zinc/49/57/23/446495723.db2.gz DAGWAANQNVRTLV-HDICACEKSA-N 1 3 331.460 1.381 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423363814 446501577 /nfs/dbraw/zinc/50/15/77/446501577.db2.gz BWBSADSXPZXZTR-APWZRJJASA-N 1 3 347.459 1.012 20 0 EDADHO CN(C(=O)NCCC[NH2+]Cc1cccnc1)[C@@H]1CCN(C2CC2)C1 ZINC000418331521 446502451 /nfs/dbraw/zinc/50/24/51/446502451.db2.gz DRVDYEKNVQYHST-QGZVFWFLSA-N 1 3 331.464 1.439 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1cccc(F)c1 ZINC000420337992 446507326 /nfs/dbraw/zinc/50/73/26/446507326.db2.gz NHSVQICHBFCXPC-GASCZTMLSA-N 1 3 335.423 1.252 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCCN(C2CCCC2)CC1 ZINC000423375624 446508297 /nfs/dbraw/zinc/50/82/97/446508297.db2.gz UKGUFQNCFNKCRB-SFHVURJKSA-N 1 3 345.491 1.898 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418328136 446500874 /nfs/dbraw/zinc/50/08/74/446500874.db2.gz RPXJXXKGQRUDPF-GASCZTMLSA-N 1 3 326.485 1.127 20 0 EDADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420331572 446500852 /nfs/dbraw/zinc/50/08/52/446500852.db2.gz QYJTUOWPQSWCIC-QGZVFWFLSA-N 1 3 343.471 1.653 20 0 EDADHO NC[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420331572 446500858 /nfs/dbraw/zinc/50/08/58/446500858.db2.gz QYJTUOWPQSWCIC-QGZVFWFLSA-N 1 3 343.471 1.653 20 0 EDADHO NC[C@@H]1C[N@@H+](CCC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420331572 446500863 /nfs/dbraw/zinc/50/08/63/446500863.db2.gz QYJTUOWPQSWCIC-QGZVFWFLSA-N 1 3 343.471 1.653 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433371536 446565110 /nfs/dbraw/zinc/56/51/10/446565110.db2.gz BJADFXAJIPJGHV-GJZGRUSLSA-N 1 3 334.468 1.197 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423423688 446529309 /nfs/dbraw/zinc/52/93/09/446529309.db2.gz MJCBOMMEBCQYCE-KUHUBIRLSA-N 1 3 347.434 1.537 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418411722 446534399 /nfs/dbraw/zinc/53/43/99/446534399.db2.gz QNGVVGLGQLDTDJ-INMHGKMJSA-N 1 3 340.512 1.501 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418612573 446615844 /nfs/dbraw/zinc/61/58/44/446615844.db2.gz ICJGBYBNABMKBB-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621874 446618493 /nfs/dbraw/zinc/61/84/93/446618493.db2.gz UJXYJXBEVXZJNI-HRCADAONSA-N 1 3 340.512 1.515 20 0 EDADHO [NH3+]CC1(O)CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000420402756 446577075 /nfs/dbraw/zinc/57/70/75/446577075.db2.gz JCORURCFFSTHCY-UHFFFAOYSA-N 1 3 345.365 1.820 20 0 EDADHO [NH3+]CCCCNC(=O)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418520816 446578597 /nfs/dbraw/zinc/57/85/97/446578597.db2.gz HWMOYOLTCIANEF-QZTJIDSGSA-N 1 3 330.476 1.889 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102437 446581740 /nfs/dbraw/zinc/58/17/40/446581740.db2.gz TWSLCTGYDSFINM-GOSISDBHSA-N 1 3 342.487 1.990 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530112 446583275 /nfs/dbraw/zinc/58/32/75/446583275.db2.gz ALFJCGSJQRLECH-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NCCOCC[NH3+])CC1 ZINC000420411062 446584589 /nfs/dbraw/zinc/58/45/89/446584589.db2.gz RQGVBBRFOWKKGE-HNNXBMFYSA-N 1 3 338.471 1.594 20 0 EDADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1NCCc2ccccc21 ZINC000418548121 446588989 /nfs/dbraw/zinc/58/89/89/446588989.db2.gz CMINSKQRQDIOGP-IBGZPJMESA-N 1 3 336.439 1.976 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418661765 446638815 /nfs/dbraw/zinc/63/88/15/446638815.db2.gz QOMVWVYDCSRAIW-YESZJQIVSA-N 1 3 338.496 1.127 20 0 EDADHO [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000418745171 446666514 /nfs/dbraw/zinc/66/65/14/446666514.db2.gz VLHHRAOFCILELG-IRXDYDNUSA-N 1 3 338.496 1.258 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423740061 446671467 /nfs/dbraw/zinc/67/14/67/446671467.db2.gz GLMBAMZXCCMIQE-OAHLLOKOSA-N 1 3 325.403 1.997 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418636011 446626170 /nfs/dbraw/zinc/62/61/70/446626170.db2.gz LRQJZRHMUZDYGY-BHIYHBOVSA-N 1 3 342.487 1.999 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418636011 446626175 /nfs/dbraw/zinc/62/61/75/446626175.db2.gz LRQJZRHMUZDYGY-BHIYHBOVSA-N 1 3 342.487 1.999 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000423758964 446688954 /nfs/dbraw/zinc/68/89/54/446688954.db2.gz KYQLPUAPIRVKJH-OTWHNJEPSA-N 1 3 348.535 1.393 20 0 EDADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418774672 446692357 /nfs/dbraw/zinc/69/23/57/446692357.db2.gz VISIKUGHVHGULX-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423765767 446694834 /nfs/dbraw/zinc/69/48/34/446694834.db2.gz ZJYQYZCCEHPVDB-AWEZNQCLSA-N 1 3 347.459 1.711 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368165728 446681023 /nfs/dbraw/zinc/68/10/23/446681023.db2.gz SKUXHHUWHCNXFN-WMLDXEAASA-N 1 3 331.476 1.672 20 0 EDADHO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000371303008 446757576 /nfs/dbraw/zinc/75/75/76/446757576.db2.gz MGJNCCVXXAUVIM-HOTGVXAUSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000371303008 446757582 /nfs/dbraw/zinc/75/75/82/446757582.db2.gz MGJNCCVXXAUVIM-HOTGVXAUSA-N 1 3 325.497 1.676 20 0 EDADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368483164 446889597 /nfs/dbraw/zinc/88/95/97/446889597.db2.gz NPLZBGBRVXWGDI-MSOLQXFVSA-N 1 3 329.444 1.098 20 0 EDADHO COCCN1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454634022 446926011 /nfs/dbraw/zinc/92/60/11/446926011.db2.gz RXZIKCQOJUQYOU-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000375594642 446913152 /nfs/dbraw/zinc/91/31/52/446913152.db2.gz BHCUXEMMFCBBJR-ZWKOTPCHSA-N 1 3 336.524 1.393 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000375594642 446913156 /nfs/dbraw/zinc/91/31/56/446913156.db2.gz BHCUXEMMFCBBJR-ZWKOTPCHSA-N 1 3 336.524 1.393 20 0 EDADHO COCCN1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454634022 446926019 /nfs/dbraw/zinc/92/60/19/446926019.db2.gz RXZIKCQOJUQYOU-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)[NH+](C)C ZINC000454821017 446976797 /nfs/dbraw/zinc/97/67/97/446976797.db2.gz QYMHBEXUQDHXHB-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO C[C@H](CNC(=O)N1CCCN(CC(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000368701976 447052849 /nfs/dbraw/zinc/05/28/49/447052849.db2.gz OYCOUOZQMDRZQZ-MRXNPFEDSA-N 1 3 340.512 1.207 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000375762898 447030329 /nfs/dbraw/zinc/03/03/29/447030329.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 1 3 334.464 1.408 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCN1C(=O)NC3(CCCC3)C1=O)C2 ZINC000375762898 447030336 /nfs/dbraw/zinc/03/03/36/447030336.db2.gz ZUIITOHLRNWEPE-YIONKMFJSA-N 1 3 334.464 1.408 20 0 EDADHO CN(c1ccccc1C[NH2+]CC1(CC(N)=O)CC1)C1CCN(C)CC1 ZINC000421349882 447139101 /nfs/dbraw/zinc/13/91/01/447139101.db2.gz KBDWAQRWRKLTJO-UHFFFAOYSA-N 1 3 344.503 1.962 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421369958 447143102 /nfs/dbraw/zinc/14/31/02/447143102.db2.gz BOOUDRUTQAAJLC-QGZVFWFLSA-N 1 3 330.476 1.396 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421369958 447143110 /nfs/dbraw/zinc/14/31/10/447143110.db2.gz BOOUDRUTQAAJLC-QGZVFWFLSA-N 1 3 330.476 1.396 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000419407155 447156660 /nfs/dbraw/zinc/15/66/60/447156660.db2.gz JRKOXAQGAFCJFH-GJZGRUSLSA-N 1 3 346.475 1.171 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375977114 447186445 /nfs/dbraw/zinc/18/64/45/447186445.db2.gz RIMCKEZAFPOZAE-QUCCMNQESA-N 1 3 343.471 1.259 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000372732493 447255675 /nfs/dbraw/zinc/25/56/75/447255675.db2.gz PGNKBICDQVWVOR-QGZVFWFLSA-N 1 3 327.513 1.804 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414307238 447289962 /nfs/dbraw/zinc/28/99/62/447289962.db2.gz OYFMPKBJPCSWQE-KRWDZBQOSA-N 1 3 345.487 1.660 20 0 EDADHO C[C@H](CCNC(=O)C(C)(C)N1CCNCC1)[N@H+](C)Cc1ccccc1 ZINC000379663199 447453459 /nfs/dbraw/zinc/45/34/59/447453459.db2.gz KSFGKRGTTIAFGK-QGZVFWFLSA-N 1 3 346.519 1.697 20 0 EDADHO C[C@H](CCNC(=O)C(C)(C)N1CCNCC1)[N@@H+](C)Cc1ccccc1 ZINC000379663199 447453461 /nfs/dbraw/zinc/45/34/61/447453461.db2.gz KSFGKRGTTIAFGK-QGZVFWFLSA-N 1 3 346.519 1.697 20 0 EDADHO O=C([C@H]1CCCN1C1CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000426705080 447493543 /nfs/dbraw/zinc/49/35/43/447493543.db2.gz UWOIYEYDEVMTDE-GOSISDBHSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3COCCO3)CC2)C[C@@H](C)O1 ZINC000450477408 447502191 /nfs/dbraw/zinc/50/21/91/447502191.db2.gz WOCCSPIYGKCURJ-NUJGCVRESA-N 1 3 326.481 1.613 20 0 EDADHO CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390851625 447503482 /nfs/dbraw/zinc/50/34/82/447503482.db2.gz DRNMGAHHPAVNRC-QZTJIDSGSA-N 1 3 333.476 1.911 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390884217 447504356 /nfs/dbraw/zinc/50/43/56/447504356.db2.gz XHPZFUSHPMBHHM-PKOBYXMFSA-N 1 3 333.476 1.911 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390867547 447504994 /nfs/dbraw/zinc/50/49/94/447504994.db2.gz ONMCAPZCYOIEDF-MSOLQXFVSA-N 1 3 333.476 1.625 20 0 EDADHO CCc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392465147 447523686 /nfs/dbraw/zinc/52/36/86/447523686.db2.gz BJFHHFRGRBYYDS-WMLDXEAASA-N 1 3 333.480 1.063 20 0 EDADHO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000419999242 447536740 /nfs/dbraw/zinc/53/67/40/447536740.db2.gz OEJMFEXXSITWMN-FUHWJXTLSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408751 447537333 /nfs/dbraw/zinc/53/73/33/447537333.db2.gz MQNKLJDKDHGHGJ-PMPSAXMXSA-N 1 3 340.512 1.610 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408751 447537342 /nfs/dbraw/zinc/53/73/42/447537342.db2.gz MQNKLJDKDHGHGJ-PMPSAXMXSA-N 1 3 340.512 1.610 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CCN(CCO)[C@@H](C)C2)CC1 ZINC000428456916 447701429 /nfs/dbraw/zinc/70/14/29/447701429.db2.gz IQTYCECCCRVUOC-SFHVURJKSA-N 1 3 346.519 1.327 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000416917654 447709457 /nfs/dbraw/zinc/70/94/57/447709457.db2.gz ICMXGYQWAAADKP-KRWDZBQOSA-N 1 3 334.464 1.597 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457929464 447675690 /nfs/dbraw/zinc/67/56/90/447675690.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457929464 447675695 /nfs/dbraw/zinc/67/56/95/447675695.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1COCCN1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720533 447727902 /nfs/dbraw/zinc/72/79/02/447727902.db2.gz SQGGIQTVMCMVBD-SUMDDJOVSA-N 1 3 331.460 1.553 20 0 EDADHO CC[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417023642 447731054 /nfs/dbraw/zinc/73/10/54/447731054.db2.gz WBYKLGIGLZQZFN-QZTJIDSGSA-N 1 3 330.476 1.860 20 0 EDADHO COc1ccc([C@H](NCCCN2CCC(O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422764038 447743382 /nfs/dbraw/zinc/74/33/82/447743382.db2.gz PHGHXPWKRKZWJH-UXHICEINSA-N 1 3 347.503 1.925 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458237255 447750832 /nfs/dbraw/zinc/75/08/32/447750832.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458237255 447750836 /nfs/dbraw/zinc/75/08/36/447750836.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422841757 447766548 /nfs/dbraw/zinc/76/65/48/447766548.db2.gz DKCGKJXNJGJPFJ-SJLPKXTDSA-N 1 3 338.540 1.877 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422843835 447766752 /nfs/dbraw/zinc/76/67/52/447766752.db2.gz JTOIPHJQOQCOFG-FGTMMUONSA-N 1 3 336.524 1.487 20 0 EDADHO CC[C@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422963775 447782456 /nfs/dbraw/zinc/78/24/56/447782456.db2.gz JLYMXEXSUMHREY-DLBZAZTESA-N 1 3 345.553 1.947 20 0 EDADHO C[C@]1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000430709771 447783710 /nfs/dbraw/zinc/78/37/10/447783710.db2.gz ZCPXLHAHJFNZLQ-IBGZPJMESA-N 1 3 331.460 1.777 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985540 447787651 /nfs/dbraw/zinc/78/76/51/447787651.db2.gz FFFLQKOMOLIPMT-CZUORRHYSA-N 1 3 338.423 1.770 20 0 EDADHO C[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496588605 447827740 /nfs/dbraw/zinc/82/77/40/447827740.db2.gz ZAPHRRDMVWOSRO-YOEHRIQHSA-N 1 3 329.485 1.584 20 0 EDADHO C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000496588605 447827741 /nfs/dbraw/zinc/82/77/41/447827741.db2.gz ZAPHRRDMVWOSRO-YOEHRIQHSA-N 1 3 329.485 1.584 20 0 EDADHO COc1cccc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525449557 448000181 /nfs/dbraw/zinc/00/01/81/448000181.db2.gz MOQARBBIEDJTSB-OAHLLOKOSA-N 1 3 336.480 1.891 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299910 448058401 /nfs/dbraw/zinc/05/84/01/448058401.db2.gz NDADLERCFVUJFN-UYAOXDASSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299910 448058404 /nfs/dbraw/zinc/05/84/04/448058404.db2.gz NDADLERCFVUJFN-UYAOXDASSA-N 1 3 345.487 1.424 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531303412 448059005 /nfs/dbraw/zinc/05/90/05/448059005.db2.gz HDJZPAKUXRLRBX-HLIPFELVSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303412 448059009 /nfs/dbraw/zinc/05/90/09/448059009.db2.gz HDJZPAKUXRLRBX-HLIPFELVSA-N 1 3 345.487 1.612 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000531483827 448092279 /nfs/dbraw/zinc/09/22/79/448092279.db2.gz CEIXNSXQBBUQKZ-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000502755641 448105560 /nfs/dbraw/zinc/10/55/60/448105560.db2.gz JNVLPRWAZKZVQG-QZWWFDLISA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)OCC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000570794834 448064941 /nfs/dbraw/zinc/06/49/41/448064941.db2.gz HYMYHYATDIHPOQ-RCCFBDPRSA-N 1 3 328.497 1.520 20 0 EDADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007109 448115856 /nfs/dbraw/zinc/11/58/56/448115856.db2.gz FNRKDPXIBDQQSA-DZGCQCFKSA-N 1 3 327.469 1.288 20 0 EDADHO CN(C[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007109 448115859 /nfs/dbraw/zinc/11/58/59/448115859.db2.gz FNRKDPXIBDQQSA-DZGCQCFKSA-N 1 3 327.469 1.288 20 0 EDADHO CN(C[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007109 448115861 /nfs/dbraw/zinc/11/58/61/448115861.db2.gz FNRKDPXIBDQQSA-DZGCQCFKSA-N 1 3 327.469 1.288 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000532093917 448200382 /nfs/dbraw/zinc/20/03/82/448200382.db2.gz QAOVEVWFXZZQKP-KZNAEPCWSA-N 1 3 336.524 1.486 20 0 EDADHO CC[NH+]1CCC(NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532217421 448217699 /nfs/dbraw/zinc/21/76/99/448217699.db2.gz DRFVZLKYVKIAEJ-SFHVURJKSA-N 1 3 330.432 1.315 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572132762 448297948 /nfs/dbraw/zinc/29/79/48/448297948.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572132762 448297958 /nfs/dbraw/zinc/29/79/58/448297958.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO CCOC1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCCC1 ZINC000577704442 448362113 /nfs/dbraw/zinc/36/21/13/448362113.db2.gz YEJZTIVOXZCREB-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000566162929 448400044 /nfs/dbraw/zinc/40/00/44/448400044.db2.gz NHVWZOAXJGMTMB-MAUKXSAKSA-N 1 3 349.475 1.258 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)nn1C ZINC000583004929 448400988 /nfs/dbraw/zinc/40/09/88/448400988.db2.gz UPQJMFJVVAQESV-UHFFFAOYSA-N 1 3 335.374 1.004 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000572999021 448519723 /nfs/dbraw/zinc/51/97/23/448519723.db2.gz ANPGMVVZXQLGJW-JEBQAFNWSA-N 1 3 328.460 1.737 20 0 EDADHO CC1CCC([NH+]2CCN(C[C@@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000578500428 448561799 /nfs/dbraw/zinc/56/17/99/448561799.db2.gz HQLOSXXEZGHJCP-ADKAHSJRSA-N 1 3 336.524 1.380 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733710 448547053 /nfs/dbraw/zinc/54/70/53/448547053.db2.gz HCZQLEVQISAXJH-FUHIMQAGSA-N 1 3 349.519 1.350 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000567111000 448616285 /nfs/dbraw/zinc/61/62/85/448616285.db2.gz DMFLOQIXDMHUIU-MSOLQXFVSA-N 1 3 336.476 1.417 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCN1CCc2ccccc21 ZINC000573493143 448641932 /nfs/dbraw/zinc/64/19/32/448641932.db2.gz CISZBTIKVKAFDD-HDICACEKSA-N 1 3 342.487 1.097 20 0 EDADHO CN1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1cccs1 ZINC000579025436 448698890 /nfs/dbraw/zinc/69/88/90/448698890.db2.gz CNOHWULMRADSGC-DOMZBBRYSA-N 1 3 348.476 1.111 20 0 EDADHO COC(=O)[C@@H]1CN(CC(C)C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129445 448699543 /nfs/dbraw/zinc/69/95/43/448699543.db2.gz DEQSXYVQTOZLHY-KLHDSHLOSA-N 1 3 340.464 1.104 20 0 EDADHO COC(=O)[C@@H]1CN(CC(C)C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129445 448699548 /nfs/dbraw/zinc/69/95/48/448699548.db2.gz DEQSXYVQTOZLHY-KLHDSHLOSA-N 1 3 340.464 1.104 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000567818063 448767159 /nfs/dbraw/zinc/76/71/59/448767159.db2.gz SYQJOFXNVLQBKU-YFHUEUNASA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529282995 448806296 /nfs/dbraw/zinc/80/62/96/448806296.db2.gz NYAZKUYSIJSEAV-ROUUACIJSA-N 1 3 330.476 1.900 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529282995 448806298 /nfs/dbraw/zinc/80/62/98/448806298.db2.gz NYAZKUYSIJSEAV-ROUUACIJSA-N 1 3 330.476 1.900 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000529286052 448807590 /nfs/dbraw/zinc/80/75/90/448807590.db2.gz VWHPZFAWGCPTRY-MRXNPFEDSA-N 1 3 332.448 1.068 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000529314760 448818683 /nfs/dbraw/zinc/81/86/83/448818683.db2.gz HUGOZCXIQYZLNX-NVXWUHKLSA-N 1 3 346.475 1.457 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592450709 448844464 /nfs/dbraw/zinc/84/44/64/448844464.db2.gz WNJHOLJLCUIFMR-DOMZBBRYSA-N 1 3 343.431 1.158 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568733414 448910420 /nfs/dbraw/zinc/91/04/20/448910420.db2.gz LTYZZQJMCJFDEY-HNNXBMFYSA-N 1 3 344.459 1.261 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000574504368 448887756 /nfs/dbraw/zinc/88/77/56/448887756.db2.gz CXQUXPQAJDVKJU-CRAIPNDOSA-N 1 3 330.476 1.905 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000574504368 448887763 /nfs/dbraw/zinc/88/77/63/448887763.db2.gz CXQUXPQAJDVKJU-CRAIPNDOSA-N 1 3 330.476 1.905 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3ccc4c(c3)CNC4)c21 ZINC000592543751 448890385 /nfs/dbraw/zinc/89/03/85/448890385.db2.gz GYNATMGLUUCNSV-ZDUSSCGKSA-N 1 3 325.416 1.252 20 0 EDADHO Cn1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832514 448890652 /nfs/dbraw/zinc/89/06/52/448890652.db2.gz GKIOBUFJPVPEKL-QGZVFWFLSA-N 1 3 341.459 1.669 20 0 EDADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000548023092 448968656 /nfs/dbraw/zinc/96/86/56/448968656.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 1 3 336.505 1.684 20 0 EDADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000548023092 448968661 /nfs/dbraw/zinc/96/86/61/448968661.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 1 3 336.505 1.684 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000575309243 449073166 /nfs/dbraw/zinc/07/31/66/449073166.db2.gz KPHJGGMMFLQWDG-KRWDZBQOSA-N 1 3 346.475 1.208 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592955751 449076089 /nfs/dbraw/zinc/07/60/89/449076089.db2.gz OUWMIWSQPJEBAA-CQSZACIVSA-N 1 3 341.459 1.711 20 0 EDADHO Cc1cc(NC(=O)NC[C@H]2CCCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278091 449054027 /nfs/dbraw/zinc/05/40/27/449054027.db2.gz FRWPDKQFNIIXHI-OAHLLOKOSA-N 1 3 334.468 1.674 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000522201058 449062673 /nfs/dbraw/zinc/06/26/73/449062673.db2.gz NDRBEBFDDHFYQT-MSOLQXFVSA-N 1 3 330.476 1.750 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604654799 449269622 /nfs/dbraw/zinc/26/96/22/449269622.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604654799 449269629 /nfs/dbraw/zinc/26/96/29/449269629.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000614066893 449441480 /nfs/dbraw/zinc/44/14/80/449441480.db2.gz LTWPTXOVKDNTDG-HXUWFJFHSA-N 1 3 345.487 1.350 20 0 EDADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000600711621 449511029 /nfs/dbraw/zinc/51/10/29/449511029.db2.gz SOZJULAKIKTAQC-HZPDHXFCSA-N 1 3 333.432 1.139 20 0 EDADHO COC(=O)c1cc(C[NH2+]CC2(O)CCN(C)CC2)n2c1CCCC2 ZINC000598638700 449512054 /nfs/dbraw/zinc/51/20/54/449512054.db2.gz ZATIWSHAWHXCRD-UHFFFAOYSA-N 1 3 335.448 1.157 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CCN(CC(F)F)CC1 ZINC000617506930 449654697 /nfs/dbraw/zinc/65/46/97/449654697.db2.gz CMJHHKYQJASQBY-AWEZNQCLSA-N 1 3 348.482 1.352 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CCN(CC(F)F)CC1 ZINC000617506930 449654704 /nfs/dbraw/zinc/65/47/04/449654704.db2.gz CMJHHKYQJASQBY-AWEZNQCLSA-N 1 3 348.482 1.352 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1nn(C)c2ccccc12 ZINC000617502644 449647153 /nfs/dbraw/zinc/64/71/53/449647153.db2.gz XGZMZKXAPUSLFG-HNNXBMFYSA-N 1 3 345.491 1.504 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1nn(C)c2ccccc12 ZINC000617502644 449647154 /nfs/dbraw/zinc/64/71/54/449647154.db2.gz XGZMZKXAPUSLFG-HNNXBMFYSA-N 1 3 345.491 1.504 20 0 EDADHO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617504946 449648936 /nfs/dbraw/zinc/64/89/36/449648936.db2.gz QKFKGJOUVGNMHF-DOTOQJQBSA-N 1 3 337.512 1.839 20 0 EDADHO Cc1cc(C)n([C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617504946 449648937 /nfs/dbraw/zinc/64/89/37/449648937.db2.gz QKFKGJOUVGNMHF-DOTOQJQBSA-N 1 3 337.512 1.839 20 0 EDADHO C[NH+]1CCC(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000617701454 449747262 /nfs/dbraw/zinc/74/72/62/449747262.db2.gz XRCAEIXXFPJJJM-GOSISDBHSA-N 1 3 331.460 1.211 20 0 EDADHO COC(=O)c1cc(CNCC2CC[NH+](C3CCOCC3)CC2)on1 ZINC000602708045 449761726 /nfs/dbraw/zinc/76/17/26/449761726.db2.gz YNAIJXRRVOVNNB-UHFFFAOYSA-N 1 3 337.420 1.442 20 0 EDADHO CN1CCC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000608648276 449896881 /nfs/dbraw/zinc/89/68/81/449896881.db2.gz QVJBSIPLAMMXAS-KRWDZBQOSA-N 1 3 330.476 1.479 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CCOC3CCOCC3)CC2)CC1 ZINC000625482576 450385903 /nfs/dbraw/zinc/38/59/03/450385903.db2.gz RFYLZHPDYBVMSV-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CCOC3CCOCC3)CC2)CC1 ZINC000625482576 450385907 /nfs/dbraw/zinc/38/59/07/450385907.db2.gz RFYLZHPDYBVMSV-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000625943976 450539383 /nfs/dbraw/zinc/53/93/83/450539383.db2.gz BHUAUIWAMBQURJ-HZPDHXFCSA-N 1 3 330.432 1.917 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000625943976 450539384 /nfs/dbraw/zinc/53/93/84/450539384.db2.gz BHUAUIWAMBQURJ-HZPDHXFCSA-N 1 3 330.432 1.917 20 0 EDADHO CCC(F)(F)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000623564749 450543708 /nfs/dbraw/zinc/54/37/08/450543708.db2.gz PUHOVCPFPWCXQV-UHFFFAOYSA-N 1 3 332.439 1.890 20 0 EDADHO O[C@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000623621546 450553479 /nfs/dbraw/zinc/55/34/79/450553479.db2.gz KGVYJRCPRACZSL-RTBURBONSA-N 1 3 334.460 1.791 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nn(C)cc3C)CC2)CC1 ZINC000620925505 450562905 /nfs/dbraw/zinc/56/29/05/450562905.db2.gz FXDDRABAWUWQOO-UHFFFAOYSA-N 1 3 333.480 1.863 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000629417950 450662489 /nfs/dbraw/zinc/66/24/89/450662489.db2.gz LICNKEFBXYSFQO-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO O=C(NCC[NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)cc1 ZINC000629555176 450733007 /nfs/dbraw/zinc/73/30/07/450733007.db2.gz YZFNVBVOOLOUQB-HNNXBMFYSA-N 1 3 325.840 1.116 20 0 EDADHO CC(C)[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000629553885 450733158 /nfs/dbraw/zinc/73/31/58/450733158.db2.gz DCMLWQRQZDQGAU-MSOLQXFVSA-N 1 3 332.492 1.335 20 0 EDADHO O[C@H](C[NH2+]CCOc1ccc(Br)cc1)CN1CCCC1 ZINC000629559546 450736145 /nfs/dbraw/zinc/73/61/45/450736145.db2.gz UFRKPPYZWGFDLG-CQSZACIVSA-N 1 3 343.265 1.874 20 0 EDADHO COc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1F ZINC000629672467 450776684 /nfs/dbraw/zinc/77/66/84/450776684.db2.gz OOUJJFPZZGKMOX-GDBMZVCRSA-N 1 3 349.450 1.821 20 0 EDADHO COc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1F ZINC000629672467 450776691 /nfs/dbraw/zinc/77/66/91/450776691.db2.gz OOUJJFPZZGKMOX-GDBMZVCRSA-N 1 3 349.450 1.821 20 0 EDADHO O=S(=O)(CCCN1CCCC1)NCC[NH2+]C1CCCCCC1 ZINC000631906460 450865527 /nfs/dbraw/zinc/86/55/27/450865527.db2.gz MZIVSSLDZCREAK-UHFFFAOYSA-N 1 3 331.526 1.704 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621783771 450867086 /nfs/dbraw/zinc/86/70/86/450867086.db2.gz GDKNAJHDJLKQEL-LMMKCTJWSA-N 1 3 330.476 1.219 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)CCCN1CCCC1 ZINC000631936769 450894772 /nfs/dbraw/zinc/89/47/72/450894772.db2.gz LOWDZCPIGHCFHM-UHFFFAOYSA-N 1 3 339.505 1.306 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631949164 450908292 /nfs/dbraw/zinc/90/82/92/450908292.db2.gz AVDYKEAEBMTEMM-QGZVFWFLSA-N 1 3 343.537 1.514 20 0 EDADHO CCN1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000632026769 450978436 /nfs/dbraw/zinc/97/84/36/450978436.db2.gz LWFFAQYZAQJSRT-JKSUJKDBSA-N 1 3 331.526 1.464 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000626921834 451006613 /nfs/dbraw/zinc/00/66/13/451006613.db2.gz KBBCHOGUYOFRIE-CQSZACIVSA-N 1 3 340.493 1.550 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626931047 451013673 /nfs/dbraw/zinc/01/36/73/451013673.db2.gz QBNSZPQGZZESSG-UHFFFAOYSA-N 1 3 348.491 1.624 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C[NH2+]1 ZINC000626956410 451033448 /nfs/dbraw/zinc/03/34/48/451033448.db2.gz NIYWGKUKJKYPIE-ZBFHGGJFSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000626970172 451040874 /nfs/dbraw/zinc/04/08/74/451040874.db2.gz KGSRVONJEPESAW-NQBHXWOUSA-N 1 3 336.402 1.638 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCN1C ZINC000626986990 451052862 /nfs/dbraw/zinc/05/28/62/451052862.db2.gz TULMULBFYRWPSX-LPWJVIDDSA-N 1 3 336.402 1.638 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CCN1Cc1ccccc1 ZINC000626994870 451060603 /nfs/dbraw/zinc/06/06/03/451060603.db2.gz KWFKTNKRGUAQKV-SJLPKXTDSA-N 1 3 348.491 1.656 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CN1Cc1ccccc1 ZINC000626998406 451064886 /nfs/dbraw/zinc/06/48/86/451064886.db2.gz MNMKFBGFEXWCMU-RDJZCZTQSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N(C)CCOCC[NH3+])CCN1Cc1ccccc1 ZINC000627039287 451096908 /nfs/dbraw/zinc/09/69/08/451096908.db2.gz ULKJRWMCZGZFJP-WBVHZDCISA-N 1 3 334.464 1.266 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628050892 451105282 /nfs/dbraw/zinc/10/52/82/451105282.db2.gz PGOCKCAXTBVLIK-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2cc(=O)[nH]cc21 ZINC000628050892 451105287 /nfs/dbraw/zinc/10/52/87/451105287.db2.gz PGOCKCAXTBVLIK-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641382 451129730 /nfs/dbraw/zinc/12/97/30/451129730.db2.gz SKMRNRYBZLAGOU-ICSRJNTNSA-N 1 3 345.487 1.545 20 0 EDADHO CN(C)CCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641382 451129734 /nfs/dbraw/zinc/12/97/34/451129734.db2.gz SKMRNRYBZLAGOU-ICSRJNTNSA-N 1 3 345.487 1.545 20 0 EDADHO CCN(C(=O)NCCOCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627216901 451192023 /nfs/dbraw/zinc/19/20/23/451192023.db2.gz XHDAPBDFAQLFFB-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000638087492 451252208 /nfs/dbraw/zinc/25/22/08/451252208.db2.gz BOKWJCDQXVBDDM-INIZCTEOSA-N 1 3 328.460 1.594 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127630 451299448 /nfs/dbraw/zinc/29/94/48/451299448.db2.gz WXTCSKWZAGMBCZ-PKOBYXMFSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000638289326 451406665 /nfs/dbraw/zinc/40/66/65/451406665.db2.gz NTDHXMDGDFRMLW-FUHWJXTLSA-N 1 3 332.448 1.181 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CCN(C)C)c1 ZINC000630871006 451452261 /nfs/dbraw/zinc/45/22/61/451452261.db2.gz FDGLQAHHXKKIJN-KRWDZBQOSA-N 1 3 335.496 1.829 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(CCN(C)C)c1 ZINC000630871006 451452264 /nfs/dbraw/zinc/45/22/64/451452264.db2.gz FDGLQAHHXKKIJN-KRWDZBQOSA-N 1 3 335.496 1.829 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCOC1 ZINC000638368516 451466728 /nfs/dbraw/zinc/46/67/28/451466728.db2.gz XSBWGWULACQUSC-PMACEKPBSA-N 1 3 347.503 1.575 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786355 451506926 /nfs/dbraw/zinc/50/69/26/451506926.db2.gz PSOGWXRVACXRJY-QZTJIDSGSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786355 451506928 /nfs/dbraw/zinc/50/69/28/451506928.db2.gz PSOGWXRVACXRJY-QZTJIDSGSA-N 1 3 346.475 1.017 20 0 EDADHO CCN1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631035871 451544321 /nfs/dbraw/zinc/54/43/21/451544321.db2.gz XSNKHINZYZDYGK-UHFFFAOYSA-N 1 3 347.503 1.972 20 0 EDADHO CC[NH+]1CCC(NCc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631035871 451544327 /nfs/dbraw/zinc/54/43/27/451544327.db2.gz XSNKHINZYZDYGK-UHFFFAOYSA-N 1 3 347.503 1.972 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000638526775 451558112 /nfs/dbraw/zinc/55/81/12/451558112.db2.gz PSRSZZIUAYSIOF-DLBZAZTESA-N 1 3 344.459 1.447 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000638565232 451579925 /nfs/dbraw/zinc/57/99/25/451579925.db2.gz YOQVNGQVOWIVKD-AAEUAGOBSA-N 1 3 347.385 1.044 20 0 EDADHO C[C@H]1C[C@H](CCNCc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797150 451694340 /nfs/dbraw/zinc/69/43/40/451694340.db2.gz PASUQGRKPNXSIY-HOCLYGCPSA-N 1 3 340.475 1.692 20 0 EDADHO C[C@H]1C[C@H](CCNCc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797150 451694343 /nfs/dbraw/zinc/69/43/43/451694343.db2.gz PASUQGRKPNXSIY-HOCLYGCPSA-N 1 3 340.475 1.692 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000638727047 451667479 /nfs/dbraw/zinc/66/74/79/451667479.db2.gz DAOYVYVDBBXMTQ-IRXDYDNUSA-N 1 3 335.492 1.620 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC2CN(c3ccncn3)C2)cc1 ZINC000631258118 451667637 /nfs/dbraw/zinc/66/76/37/451667637.db2.gz MKSCPZWKOZVGCW-UHFFFAOYSA-N 1 3 327.432 1.395 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cn2)CC1 ZINC000632960712 451670162 /nfs/dbraw/zinc/67/01/62/451670162.db2.gz JTMDHIRWIPNPPK-INIZCTEOSA-N 1 3 346.479 1.946 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000638925199 451737563 /nfs/dbraw/zinc/73/75/63/451737563.db2.gz KJASRHGLVFWLDO-CALCHBBNSA-N 1 3 328.460 1.405 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)C3(N)Cc4ccccc4C3)cn2)CC1 ZINC000638977293 451744318 /nfs/dbraw/zinc/74/43/18/451744318.db2.gz JTNXOJCSLMBBRJ-UHFFFAOYSA-N 1 3 339.443 1.585 20 0 EDADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638984750 451745888 /nfs/dbraw/zinc/74/58/88/451745888.db2.gz QKPMVHQHKDGUAU-JKSUJKDBSA-N 1 3 329.448 1.065 20 0 EDADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638987476 451747917 /nfs/dbraw/zinc/74/79/17/451747917.db2.gz RBGZJOYUZKYJAE-CVEARBPZSA-N 1 3 331.464 1.727 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COC1CCOCC1 ZINC000644582540 451875549 /nfs/dbraw/zinc/87/55/49/451875549.db2.gz VJLOVVQRRUSPNO-GOSISDBHSA-N 1 3 340.508 1.930 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCO1 ZINC000646846098 451883141 /nfs/dbraw/zinc/88/31/41/451883141.db2.gz NXPXKKSRKCXGSE-MLGOLLRUSA-N 1 3 331.416 1.683 20 0 EDADHO C[NH+]1CCC(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000644699940 451942338 /nfs/dbraw/zinc/94/23/38/451942338.db2.gz DUVJHLCWKLKMDY-SFHVURJKSA-N 1 3 331.460 1.924 20 0 EDADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009924 452002712 /nfs/dbraw/zinc/00/27/12/452002712.db2.gz KUIBGPLGDCELAH-FGTMMUONSA-N 1 3 330.476 1.879 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336685 452018291 /nfs/dbraw/zinc/01/82/91/452018291.db2.gz MPMZBYXFTGJDOJ-KBAYOESNSA-N 1 3 331.460 1.249 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000649366050 452044911 /nfs/dbraw/zinc/04/49/11/452044911.db2.gz OYAZZEQHILLITR-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3C[NH3+])CC2)nc1 ZINC000649374029 452049486 /nfs/dbraw/zinc/04/94/86/452049486.db2.gz DPZKZFJRKHDDQH-SJORKVTESA-N 1 3 345.491 1.167 20 0 EDADHO Cn1cc(N2CCC[C@@H](N3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758629 452096089 /nfs/dbraw/zinc/09/60/89/452096089.db2.gz WSWJAMSJDIAGPM-MRXNPFEDSA-N 1 3 331.464 1.333 20 0 EDADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000641623178 452143191 /nfs/dbraw/zinc/14/31/91/452143191.db2.gz GANWIQPRIZYHJW-IAGOWNOFSA-N 1 3 345.553 1.854 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000651992740 452210399 /nfs/dbraw/zinc/21/03/99/452210399.db2.gz BECWLVOCLFIWHK-INIZCTEOSA-N 1 3 331.460 1.728 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000639876330 452213951 /nfs/dbraw/zinc/21/39/51/452213951.db2.gz DIWWAXAXYDHJFQ-DLBZAZTESA-N 1 3 325.497 1.017 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639876330 452213955 /nfs/dbraw/zinc/21/39/55/452213955.db2.gz DIWWAXAXYDHJFQ-DLBZAZTESA-N 1 3 325.497 1.017 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC1CCN(c2nccs2)CC1 ZINC000641769881 452244441 /nfs/dbraw/zinc/24/44/41/452244441.db2.gz FOFFUPDPEHHKKJ-HNNXBMFYSA-N 1 3 326.510 1.794 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000665758275 452327186 /nfs/dbraw/zinc/32/71/86/452327186.db2.gz DKSKPUJLLVKLNQ-GJZGRUSLSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC([C@H](C)O)CC1 ZINC000665758275 452327193 /nfs/dbraw/zinc/32/71/93/452327193.db2.gz DKSKPUJLLVKLNQ-GJZGRUSLSA-N 1 3 328.501 1.061 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652136819 452332182 /nfs/dbraw/zinc/33/21/82/452332182.db2.gz ZQGRGIZRRKCIMH-SFHVURJKSA-N 1 3 332.492 1.848 20 0 EDADHO COC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763773 452349622 /nfs/dbraw/zinc/34/96/22/452349622.db2.gz LIDNCLJEGSCHCR-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO COC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763773 452349629 /nfs/dbraw/zinc/34/96/29/452349629.db2.gz LIDNCLJEGSCHCR-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638060568 452351426 /nfs/dbraw/zinc/35/14/26/452351426.db2.gz XJAJTKKNRZAKFS-QZTJIDSGSA-N 1 3 332.492 1.388 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663640072 452383047 /nfs/dbraw/zinc/38/30/47/452383047.db2.gz BJOOKQVOQOOWKU-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000638075155 452385325 /nfs/dbraw/zinc/38/53/25/452385325.db2.gz GORAPTHDPJXPME-MJGOQNOKSA-N 1 3 337.508 1.868 20 0 EDADHO COCCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657612903 452389704 /nfs/dbraw/zinc/38/97/04/452389704.db2.gz DSZRNZHLHYPXQU-LJQANCHMSA-N 1 3 332.492 1.604 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000654351215 452400493 /nfs/dbraw/zinc/40/04/93/452400493.db2.gz CWWFGCOPTWDUQZ-KURKYZTESA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)CN1 ZINC000659589517 452446952 /nfs/dbraw/zinc/44/69/52/452446952.db2.gz RIEAPPDJECGHHJ-WRFANHODSA-N 1 3 334.439 1.663 20 0 EDADHO C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000647710560 452447415 /nfs/dbraw/zinc/44/74/15/452447415.db2.gz FKFJFIPPPWHXPX-VQIMIIECSA-N 1 3 347.503 1.368 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654434345 452492887 /nfs/dbraw/zinc/49/28/87/452492887.db2.gz QOCKHCKGCQZPTL-GASCZTMLSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663784162 452513387 /nfs/dbraw/zinc/51/33/87/452513387.db2.gz PWTLFXZJCJPTEG-FZKCQIBNSA-N 1 3 340.512 1.059 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663784162 452513396 /nfs/dbraw/zinc/51/33/96/452513396.db2.gz PWTLFXZJCJPTEG-FZKCQIBNSA-N 1 3 340.512 1.059 20 0 EDADHO CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788482 452522961 /nfs/dbraw/zinc/52/29/61/452522961.db2.gz KDSGOWGICWYCQK-NUEKZKHPSA-N 1 3 337.489 1.415 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000640218719 452527407 /nfs/dbraw/zinc/52/74/07/452527407.db2.gz SZDOHERBJQWTIX-KKXDTOCCSA-N 1 3 342.443 1.597 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730891 452543021 /nfs/dbraw/zinc/54/30/21/452543021.db2.gz VOMVVWKSRAXIEJ-ZHALLVOQSA-N 1 3 339.524 1.719 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000663849373 452576606 /nfs/dbraw/zinc/57/66/06/452576606.db2.gz LDMFIGPCISJSSS-LPHOPBHVSA-N 1 3 347.503 1.730 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654528594 452608364 /nfs/dbraw/zinc/60/83/64/452608364.db2.gz XOFVLLBVPXBVCY-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661981311 452733699 /nfs/dbraw/zinc/73/36/99/452733699.db2.gz PBTCTFWKUIQTTB-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661981311 452733708 /nfs/dbraw/zinc/73/37/08/452733708.db2.gz PBTCTFWKUIQTTB-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)n(C2CCN(C)CC2)n1 ZINC000652582376 452755716 /nfs/dbraw/zinc/75/57/16/452755716.db2.gz NRYXZNNDEGHXGI-UHFFFAOYSA-N 1 3 334.468 1.709 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980127 452888533 /nfs/dbraw/zinc/88/85/33/452888533.db2.gz RFIUDUDFOSWTDT-XWTMOSNGSA-N 1 3 337.508 1.866 20 0 EDADHO CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CCN(CC)C1 ZINC000658465581 452999894 /nfs/dbraw/zinc/99/98/94/452999894.db2.gz CJZKXOVOZNLWJL-KRWDZBQOSA-N 1 3 346.475 1.629 20 0 EDADHO COC1CCC(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000664334910 453010839 /nfs/dbraw/zinc/01/08/39/453010839.db2.gz PAHHRUSPDKUOEF-GTPINHCMSA-N 1 3 342.528 1.763 20 0 EDADHO COC1CCC(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000664334910 453010847 /nfs/dbraw/zinc/01/08/47/453010847.db2.gz PAHHRUSPDKUOEF-GTPINHCMSA-N 1 3 342.528 1.763 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293337 453017353 /nfs/dbraw/zinc/01/73/53/453017353.db2.gz QOIKMDLHLJUTQY-INIZCTEOSA-N 1 3 348.491 1.563 20 0 EDADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000662310047 453029147 /nfs/dbraw/zinc/02/91/47/453029147.db2.gz GOTJUILLJMBLNX-WBVHZDCISA-N 1 3 337.489 1.892 20 0 EDADHO CN1CCC[C@H](N2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662328090 453045430 /nfs/dbraw/zinc/04/54/30/453045430.db2.gz YISZHPWJZMUJJI-SFHVURJKSA-N 1 3 345.491 1.677 20 0 EDADHO CN1CCC[C@H](N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662328090 453045435 /nfs/dbraw/zinc/04/54/35/453045435.db2.gz YISZHPWJZMUJJI-SFHVURJKSA-N 1 3 345.491 1.677 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662374897 453083855 /nfs/dbraw/zinc/08/38/55/453083855.db2.gz LXESJRWBWJIHSG-UHFFFAOYSA-N 1 3 328.420 1.517 20 0 EDADHO CC(C)[NH2+]CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000662389119 453098501 /nfs/dbraw/zinc/09/85/01/453098501.db2.gz AGWYNLQIKITOGS-UHFFFAOYSA-N 1 3 346.519 1.699 20 0 EDADHO CCOc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000666725056 453099259 /nfs/dbraw/zinc/09/92/59/453099259.db2.gz YSGPLZRWBFVTNS-AWEZNQCLSA-N 1 3 337.468 1.874 20 0 EDADHO CCOc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000666725056 453099268 /nfs/dbraw/zinc/09/92/68/453099268.db2.gz YSGPLZRWBFVTNS-AWEZNQCLSA-N 1 3 337.468 1.874 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)N1CCN(C)CC1 ZINC000662479389 453192882 /nfs/dbraw/zinc/19/28/82/453192882.db2.gz HNPNYAUWABPRQP-MOPGFXCFSA-N 1 3 344.503 1.609 20 0 EDADHO C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CN)C1CC[NH+](C)CC1 ZINC000646189440 453201871 /nfs/dbraw/zinc/20/18/71/453201871.db2.gz IVKLKIWWTNXHQF-RDTXWAMCSA-N 1 3 330.476 1.984 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666970239 453286130 /nfs/dbraw/zinc/28/61/30/453286130.db2.gz OMIWPJYWQNLXCC-QGZVFWFLSA-N 1 3 338.496 1.223 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@H]3NCc4ccccc43)C2)C1 ZINC000662581654 453308218 /nfs/dbraw/zinc/30/82/18/453308218.db2.gz JARKFQRQJDCUOR-RWQQGDIJSA-N 1 3 343.471 1.966 20 0 EDADHO Cc1c(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000662623004 453340903 /nfs/dbraw/zinc/34/09/03/453340903.db2.gz VXAXHFWGHQZZMN-CYBMUJFWSA-N 1 3 334.468 1.114 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000667067789 453384185 /nfs/dbraw/zinc/38/41/85/453384185.db2.gz PQTIQXUQCZBSAU-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000662669938 453384506 /nfs/dbraw/zinc/38/45/06/453384506.db2.gz HQCFPRLKUXGWMD-RCCFBDPRSA-N 1 3 349.475 1.558 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000667118803 453416533 /nfs/dbraw/zinc/41/65/33/453416533.db2.gz ZUFNDGVURJTMIO-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000667118803 453416542 /nfs/dbraw/zinc/41/65/42/453416542.db2.gz ZUFNDGVURJTMIO-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]1CN1CCCC1 ZINC000662697389 453418457 /nfs/dbraw/zinc/41/84/57/453418457.db2.gz GDULQCITXBLWFA-HNNXBMFYSA-N 1 3 332.448 1.842 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000662718371 453441698 /nfs/dbraw/zinc/44/16/98/453441698.db2.gz NFLYOEDGKUHPRM-CVEARBPZSA-N 1 3 346.479 1.293 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790385 453448370 /nfs/dbraw/zinc/44/83/70/453448370.db2.gz ZMWXYQCGZOHDPY-ZTFGCOKTSA-N 1 3 348.466 1.058 20 0 EDADHO C[C@@H](CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315896 453462457 /nfs/dbraw/zinc/46/24/57/453462457.db2.gz FEJDENFSRCQMTE-DOTOQJQBSA-N 1 3 333.480 1.461 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646604524 453508589 /nfs/dbraw/zinc/50/85/89/453508589.db2.gz OZAZRCRGEGPWMB-IRXDYDNUSA-N 1 3 325.412 1.698 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793975 453529498 /nfs/dbraw/zinc/52/94/98/453529498.db2.gz LWSKEARBVVVWDT-HLLBOEOZSA-N 1 3 346.479 1.149 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)nnn2C ZINC000667282270 453532362 /nfs/dbraw/zinc/53/23/62/453532362.db2.gz HPEHUTAQEDOECN-ZDUSSCGKSA-N 1 3 347.467 1.362 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)nnn2C ZINC000667282270 453532367 /nfs/dbraw/zinc/53/23/67/453532367.db2.gz HPEHUTAQEDOECN-ZDUSSCGKSA-N 1 3 347.467 1.362 20 0 EDADHO O=C(NCCNc1ccncc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000667338258 453569018 /nfs/dbraw/zinc/56/90/18/453569018.db2.gz AIQZXQUIZWIJDV-UHFFFAOYSA-N 1 3 331.464 1.337 20 0 EDADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C)n1 ZINC000665164541 453597441 /nfs/dbraw/zinc/59/74/41/453597441.db2.gz ONICUXGBQGIPJT-INIZCTEOSA-N 1 3 335.496 1.770 20 0 EDADHO Cc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C)n1 ZINC000665164541 453597445 /nfs/dbraw/zinc/59/74/45/453597445.db2.gz ONICUXGBQGIPJT-INIZCTEOSA-N 1 3 335.496 1.770 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000659091055 453625266 /nfs/dbraw/zinc/62/52/66/453625266.db2.gz MLSXQHXKSUUKIY-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000659091055 453625267 /nfs/dbraw/zinc/62/52/67/453625267.db2.gz MLSXQHXKSUUKIY-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013172 453646824 /nfs/dbraw/zinc/64/68/24/453646824.db2.gz ACAYACYQUDNXPO-KDOFPFPSSA-N 1 3 348.495 1.043 20 0 EDADHO [NH3+][C@@H]1CN(Cc2nc3c(s2)CNCC3)C[C@H]1c1ccccc1F ZINC000663496984 453810336 /nfs/dbraw/zinc/81/03/36/453810336.db2.gz KDSPWZGPPSWESW-GXTWGEPZSA-N 1 3 332.448 1.855 20 0 EDADHO CC(C)(C)[NH2+]CCN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512874 453813633 /nfs/dbraw/zinc/81/36/33/453813633.db2.gz PDLUSEYNJQRHOC-OAHLLOKOSA-N 1 3 334.512 1.387 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415635044 486758317 /nfs/dbraw/zinc/75/83/17/486758317.db2.gz AWAZCWDJNJGQJX-CABCVRRESA-N 1 3 332.448 1.381 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)CC1 ZINC000667800743 486971233 /nfs/dbraw/zinc/97/12/33/486971233.db2.gz NAXXUYYAPPQSJW-OAHLLOKOSA-N 1 3 343.475 1.923 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530935 487050842 /nfs/dbraw/zinc/05/08/42/487050842.db2.gz MRDYQFGDZSYSNI-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530935 487050845 /nfs/dbraw/zinc/05/08/45/487050845.db2.gz MRDYQFGDZSYSNI-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO Cc1ccccc1CN1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685560878 487295773 /nfs/dbraw/zinc/29/57/73/487295773.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 1 3 331.504 1.958 20 0 EDADHO Cc1ccccc1CN1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685560878 487295778 /nfs/dbraw/zinc/29/57/78/487295778.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 1 3 331.504 1.958 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[N@@H+]1C ZINC000685607126 487302169 /nfs/dbraw/zinc/30/21/69/487302169.db2.gz ICYUIIDPVZZYMN-HOCLYGCPSA-N 1 3 346.475 1.647 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[N@H+]1C ZINC000685607126 487302171 /nfs/dbraw/zinc/30/21/71/487302171.db2.gz ICYUIIDPVZZYMN-HOCLYGCPSA-N 1 3 346.475 1.647 20 0 EDADHO Cc1ncc2n1CC[C@H](C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000685734455 487316012 /nfs/dbraw/zinc/31/60/12/487316012.db2.gz YVXIWPCKHUPACV-HOTGVXAUSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1CC[C@H](C(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000685734455 487316013 /nfs/dbraw/zinc/31/60/13/487316013.db2.gz YVXIWPCKHUPACV-HOTGVXAUSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1CC[C@H](C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000685734455 487316017 /nfs/dbraw/zinc/31/60/17/487316017.db2.gz YVXIWPCKHUPACV-HOTGVXAUSA-N 1 3 345.491 1.039 20 0 EDADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746410 487441227 /nfs/dbraw/zinc/44/12/27/487441227.db2.gz HIAOALRUQZEQNL-NVXWUHKLSA-N 1 3 345.553 1.901 20 0 EDADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746410 487441228 /nfs/dbraw/zinc/44/12/28/487441228.db2.gz HIAOALRUQZEQNL-NVXWUHKLSA-N 1 3 345.553 1.901 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000675875351 487456233 /nfs/dbraw/zinc/45/62/33/487456233.db2.gz SGMAXPROOAEWMM-QGZVFWFLSA-N 1 3 344.507 1.204 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCSC1 ZINC000669514789 485480315 /nfs/dbraw/zinc/48/03/15/485480315.db2.gz ILLPFJDQVKMWTR-KRWDZBQOSA-N 1 3 334.489 1.526 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669561206 485568519 /nfs/dbraw/zinc/56/85/19/485568519.db2.gz YXUXEQIPVYTNGK-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542963 485872285 /nfs/dbraw/zinc/87/22/85/485872285.db2.gz TUADQAZGDSUOCQ-AEFFLSMTSA-N 1 3 331.460 1.728 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000669347618 485995455 /nfs/dbraw/zinc/99/54/55/485995455.db2.gz WJTYJILAHLLAJW-RDJZCZTQSA-N 1 3 333.480 1.012 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000669420291 486139671 /nfs/dbraw/zinc/13/96/71/486139671.db2.gz IANVRNRIEUDHBJ-QZTJIDSGSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CNCCO1 ZINC000669420291 486139677 /nfs/dbraw/zinc/13/96/77/486139677.db2.gz IANVRNRIEUDHBJ-QZTJIDSGSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420549 486141234 /nfs/dbraw/zinc/14/12/34/486141234.db2.gz PFSUKFUCZAPCLC-QGZVFWFLSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000669474139 486227986 /nfs/dbraw/zinc/22/79/86/486227986.db2.gz FECCWFBGHBNDHT-HLLBOEOZSA-N 1 3 334.464 1.265 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000669477790 486238041 /nfs/dbraw/zinc/23/80/41/486238041.db2.gz VYFWSHGHWLGUER-UHFFFAOYSA-N 1 3 340.537 1.789 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000189831676 528435070 /nfs/dbraw/zinc/43/50/70/528435070.db2.gz ZSUXVQOXMWTKCN-UHFFFAOYSA-N 1 3 348.491 1.795 20 0 EDADHO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236794400 535058938 /nfs/dbraw/zinc/05/89/38/535058938.db2.gz CWSJKWPBZXXFQF-SJORKVTESA-N 1 3 346.475 1.775 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000078560404 535323104 /nfs/dbraw/zinc/32/31/04/535323104.db2.gz ALEPCXCUQFTWGK-SJORKVTESA-N 1 3 325.497 1.868 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000333393105 535330337 /nfs/dbraw/zinc/33/03/37/535330337.db2.gz PBWZCQDDOWHBGS-HZPDHXFCSA-N 1 3 338.496 1.127 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000333320326 535752356 /nfs/dbraw/zinc/75/23/56/535752356.db2.gz MWBUVXQVZZSWLJ-QAPCUYQASA-N 1 3 343.475 1.654 20 0 EDADHO CN1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000264207066 535839620 /nfs/dbraw/zinc/83/96/20/535839620.db2.gz REXFSOVQEYXJRW-UHFFFAOYSA-N 1 3 348.491 1.864 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000271906033 535890211 /nfs/dbraw/zinc/89/02/11/535890211.db2.gz WQNHXWGSEROLKU-RCCFBDPRSA-N 1 3 345.487 1.881 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000237194396 535905228 /nfs/dbraw/zinc/90/52/28/535905228.db2.gz LVPUIGLOBUOVHX-LJQANCHMSA-N 1 3 341.455 1.813 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263213539 536753175 /nfs/dbraw/zinc/75/31/75/536753175.db2.gz KMZNTDPBKIGAIF-YJBOKZPZSA-N 1 3 325.497 1.900 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000741074415 579396214 /nfs/dbraw/zinc/39/62/14/579396214.db2.gz LMAWORMTCDUKGL-NSHDSACASA-N 1 3 325.284 1.315 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000734277311 578804478 /nfs/dbraw/zinc/80/44/78/578804478.db2.gz UBVVRKALJBQYLE-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000734277311 578804479 /nfs/dbraw/zinc/80/44/79/578804479.db2.gz UBVVRKALJBQYLE-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146587 578957519 /nfs/dbraw/zinc/95/75/19/578957519.db2.gz ILONBSRJRMRPLB-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736146587 578957520 /nfs/dbraw/zinc/95/75/20/578957520.db2.gz ILONBSRJRMRPLB-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146587 578957521 /nfs/dbraw/zinc/95/75/21/578957521.db2.gz ILONBSRJRMRPLB-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146587 578957522 /nfs/dbraw/zinc/95/75/22/578957522.db2.gz ILONBSRJRMRPLB-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1csc(C)n1 ZINC000750734720 579779025 /nfs/dbraw/zinc/77/90/25/579779025.db2.gz MIZQAULHARIGIE-INIZCTEOSA-N 1 3 338.521 1.869 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1csc(C)n1 ZINC000750734720 579779026 /nfs/dbraw/zinc/77/90/26/579779026.db2.gz MIZQAULHARIGIE-INIZCTEOSA-N 1 3 338.521 1.869 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220356 580459005 /nfs/dbraw/zinc/45/90/05/580459005.db2.gz DVHZFYFDMBNBDB-JKSUJKDBSA-N 1 3 340.464 1.655 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000764022991 580111608 /nfs/dbraw/zinc/11/16/08/580111608.db2.gz XZEUPURAWNQZJB-IBGZPJMESA-N 1 3 348.535 1.537 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=S)NC2CCN(C)CC2)C1 ZINC000772802025 580320978 /nfs/dbraw/zinc/32/09/78/580320978.db2.gz YSCVRQABJOJQIV-HNNXBMFYSA-N 1 3 326.554 1.913 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=S)NC2CCN(C)CC2)C1 ZINC000772802025 580320979 /nfs/dbraw/zinc/32/09/79/580320979.db2.gz YSCVRQABJOJQIV-HNNXBMFYSA-N 1 3 326.554 1.913 20 0 EDADHO CC(C)([NH3+])CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000891855590 590657252 /nfs/dbraw/zinc/65/72/52/590657252.db2.gz KUZCRVQRQKTRHR-KRWDZBQOSA-N 1 3 348.491 1.704 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893328041 590782329 /nfs/dbraw/zinc/78/23/29/590782329.db2.gz RRMOXBCZTMYEJK-HZPDHXFCSA-N 1 3 329.460 1.237 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892155203 590826696 /nfs/dbraw/zinc/82/66/96/590826696.db2.gz CFSDFPKIBVFTDA-QWHCGFSZSA-N 1 3 330.423 1.595 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892391453 591007881 /nfs/dbraw/zinc/00/78/81/591007881.db2.gz CLWHXXMMTWTBJV-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO [NH3+][C@H](CCNC(=O)N[C@H]1CCCN(CCCO)C1)Cc1ccccc1 ZINC000892407661 591014978 /nfs/dbraw/zinc/01/49/78/591014978.db2.gz BVWMQABREAODSA-MSOLQXFVSA-N 1 3 348.491 1.093 20 0 EDADHO CO[C@@H]1CC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521889 591057647 /nfs/dbraw/zinc/05/76/47/591057647.db2.gz IPUHZEFZSXHKEU-IAGOWNOFSA-N 1 3 338.496 1.364 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530727 591061142 /nfs/dbraw/zinc/06/11/42/591061142.db2.gz WBTUYLCTIIKBTO-TVRKMHQQSA-N 1 3 328.460 1.702 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892551710 591069037 /nfs/dbraw/zinc/06/90/37/591069037.db2.gz MRSOJXBWOMFTBX-NXHRZFHOSA-N 1 3 330.476 1.887 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891460623 591079464 /nfs/dbraw/zinc/07/94/64/591079464.db2.gz HQBNUNXUUQGHSS-KKUMJFAQSA-N 1 3 334.489 1.716 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891529564 591109134 /nfs/dbraw/zinc/10/91/34/591109134.db2.gz SFKKPXYPXGSMES-UHFFFAOYSA-N 1 3 338.496 1.541 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536060 591111410 /nfs/dbraw/zinc/11/14/10/591111410.db2.gz CBOZETMPDVYEGN-ROUUACIJSA-N 1 3 348.491 1.357 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643724 591165018 /nfs/dbraw/zinc/16/50/18/591165018.db2.gz IQQVMWGGDYNUHS-LAVFITLUSA-N 1 3 328.460 1.653 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000892812909 591190051 /nfs/dbraw/zinc/19/00/51/591190051.db2.gz FPJCBQHDRAJMQG-GOSISDBHSA-N 1 3 342.487 1.971 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@]3(C)Br)C2)CC1 ZINC000892948049 591235399 /nfs/dbraw/zinc/23/53/99/591235399.db2.gz LOJSDMDKENPZRT-IPYPFGDCSA-N 1 3 330.314 1.918 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)c1ccnc(N(C)C[C@@H]2CCCN2C)n1 ZINC000894251091 591247257 /nfs/dbraw/zinc/24/72/57/591247257.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)c1ccnc(N(C)C[C@@H]2CCCN2C)n1 ZINC000894251091 591247259 /nfs/dbraw/zinc/24/72/59/591247259.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 1 3 332.496 1.537 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000894517468 591331175 /nfs/dbraw/zinc/33/11/75/591331175.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 1 3 342.487 1.854 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000894517468 591331178 /nfs/dbraw/zinc/33/11/78/591331178.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 1 3 342.487 1.854 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000898585489 591423457 /nfs/dbraw/zinc/42/34/57/591423457.db2.gz ZQTFNOMEYKAJBX-WMLDXEAASA-N 1 3 346.475 1.249 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC000898585489 591423459 /nfs/dbraw/zinc/42/34/59/591423459.db2.gz ZQTFNOMEYKAJBX-WMLDXEAASA-N 1 3 346.475 1.249 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000898596306 591429612 /nfs/dbraw/zinc/42/96/12/591429612.db2.gz QUKNEOFYEBAKFN-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897455832 591461532 /nfs/dbraw/zinc/46/15/32/591461532.db2.gz WEHNQNPRYJRUKZ-OAHLLOKOSA-N 1 3 347.463 1.264 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897455832 591461536 /nfs/dbraw/zinc/46/15/36/591461536.db2.gz WEHNQNPRYJRUKZ-OAHLLOKOSA-N 1 3 347.463 1.264 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898685775 591478216 /nfs/dbraw/zinc/47/82/16/591478216.db2.gz HWRYMWWNEUPPJS-DOTOQJQBSA-N 1 3 338.496 1.080 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509726 /nfs/dbraw/zinc/50/97/26/591509726.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509730 /nfs/dbraw/zinc/50/97/30/591509730.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909474103 591619403 /nfs/dbraw/zinc/61/94/03/591619403.db2.gz CICFYRUMYHEUBR-SFHVURJKSA-N 1 3 335.448 1.542 20 0 EDADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909474103 591619405 /nfs/dbraw/zinc/61/94/05/591619405.db2.gz CICFYRUMYHEUBR-SFHVURJKSA-N 1 3 335.448 1.542 20 0 EDADHO O=C1N(CC[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]2CCCCN12 ZINC000895345488 591722759 /nfs/dbraw/zinc/72/27/59/591722759.db2.gz OHKSWOBISWXBMP-GOSISDBHSA-N 1 3 343.475 1.930 20 0 EDADHO CNCC(=O)Nc1cccc(-c2cn(C[C@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899740549 591928024 /nfs/dbraw/zinc/92/80/24/591928024.db2.gz HNCGIVBTRKGJKY-AWEZNQCLSA-N 1 3 342.447 1.493 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900174085 591938472 /nfs/dbraw/zinc/93/84/72/591938472.db2.gz HDQGNPVTBKSFPJ-GOSISDBHSA-N 1 3 335.448 1.542 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900174085 591938476 /nfs/dbraw/zinc/93/84/76/591938476.db2.gz HDQGNPVTBKSFPJ-GOSISDBHSA-N 1 3 335.448 1.542 20 0 EDADHO [NH3+]CCC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000902498825 592002703 /nfs/dbraw/zinc/00/27/03/592002703.db2.gz GCNLIHWACXYWQO-CVEARBPZSA-N 1 3 327.432 1.831 20 0 EDADHO CN1CCC(C[NH2+][C@H](c2ccccn2)C2CC2)(N2CCOCC2)CC1 ZINC000903186802 592135495 /nfs/dbraw/zinc/13/54/95/592135495.db2.gz USAPHTCSCJHGOS-IBGZPJMESA-N 1 3 344.503 1.919 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000900858683 592149449 /nfs/dbraw/zinc/14/94/49/592149449.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000900858683 592149450 /nfs/dbraw/zinc/14/94/50/592149450.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439582 592169970 /nfs/dbraw/zinc/16/99/70/592169970.db2.gz LFRBINHZKWSITM-MCIONIFRSA-N 1 3 335.414 1.965 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@@H](CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460131 592171757 /nfs/dbraw/zinc/17/17/57/592171757.db2.gz XVZOHTIVNNQBFQ-CRWXNKLISA-N 1 3 334.382 1.797 20 0 EDADHO C[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903499111 592179637 /nfs/dbraw/zinc/17/96/37/592179637.db2.gz GGZJWNAITHAEMU-UKRRQHHQSA-N 1 3 325.478 1.354 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCc2cccc3cccnc32)C[C@H]1CC[NH3+] ZINC000903500201 592180082 /nfs/dbraw/zinc/18/00/82/592180082.db2.gz VQLHYVSJKRTMRC-CRAIPNDOSA-N 1 3 340.471 1.810 20 0 EDADHO COC(=O)c1coc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903506789 592180654 /nfs/dbraw/zinc/18/06/54/592180654.db2.gz ZMCWEDGNIGAGPZ-AEGPPILISA-N 1 3 348.447 1.423 20 0 EDADHO COC(=O)c1coc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903506789 592180656 /nfs/dbraw/zinc/18/06/56/592180656.db2.gz ZMCWEDGNIGAGPZ-AEGPPILISA-N 1 3 348.447 1.423 20 0 EDADHO Cc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000900975518 592183293 /nfs/dbraw/zinc/18/32/93/592183293.db2.gz ODLXBKJOJCMLPR-SFHVURJKSA-N 1 3 349.479 1.244 20 0 EDADHO Cc1cc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000900975518 592183294 /nfs/dbraw/zinc/18/32/94/592183294.db2.gz ODLXBKJOJCMLPR-SFHVURJKSA-N 1 3 349.479 1.244 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cccc3c1OCCO3)C2 ZINC000903492288 592185226 /nfs/dbraw/zinc/18/52/26/592185226.db2.gz AITMARUAKFOTOQ-IYOUNJFTSA-N 1 3 332.400 1.170 20 0 EDADHO COC(=O)c1ccccc1CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903525335 592197804 /nfs/dbraw/zinc/19/78/04/592197804.db2.gz FGTBXAWNASCYGV-AEFFLSMTSA-N 1 3 345.443 1.210 20 0 EDADHO CN(CC(F)(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903562808 592210893 /nfs/dbraw/zinc/21/08/93/592210893.db2.gz VCOISXYXYLXLOE-BETUJISGSA-N 1 3 334.386 1.501 20 0 EDADHO CN(CC(F)(F)F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903562808 592210894 /nfs/dbraw/zinc/21/08/94/592210894.db2.gz VCOISXYXYLXLOE-BETUJISGSA-N 1 3 334.386 1.501 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906650175 592235025 /nfs/dbraw/zinc/23/50/25/592235025.db2.gz JMBPHKFKKXUDIO-INIZCTEOSA-N 1 3 346.475 1.810 20 0 EDADHO COc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc2c1OCO2 ZINC000904389060 592242399 /nfs/dbraw/zinc/24/23/99/592242399.db2.gz GLJQZCNHIPRMJE-AWEZNQCLSA-N 1 3 334.416 1.754 20 0 EDADHO COC(=O)COc1ccc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000904391764 592243369 /nfs/dbraw/zinc/24/33/69/592243369.db2.gz JLUXMLXAJVCWAE-QGZVFWFLSA-N 1 3 348.443 1.568 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC3(C)C)c2)CC1 ZINC000904421661 592258733 /nfs/dbraw/zinc/25/87/33/592258733.db2.gz NBOXNUYWJHIKHN-KRWDZBQOSA-N 1 3 345.491 1.948 20 0 EDADHO CCCCCC(=O)NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727619 592285801 /nfs/dbraw/zinc/28/58/01/592285801.db2.gz WBFDGEOSIFGBES-HKUYNNGSSA-N 1 3 337.508 1.916 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713521 592291744 /nfs/dbraw/zinc/29/17/44/592291744.db2.gz ULTPLJBIGOLKIM-AGIUHOORSA-N 1 3 337.386 1.273 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000904603595 592293295 /nfs/dbraw/zinc/29/32/95/592293295.db2.gz JEDZZOADTNAIQN-CHWSQXEVSA-N 1 3 332.404 1.508 20 0 EDADHO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903738981 592300126 /nfs/dbraw/zinc/30/01/26/592300126.db2.gz AJESJVRYDIMHGL-SOLBZPMBSA-N 1 3 331.464 1.146 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[C@@H]1N1CCN(C)CC1 ZINC000901272563 592308563 /nfs/dbraw/zinc/30/85/63/592308563.db2.gz MIUMNSLLAOMKKC-YRXWBPOGSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC[C@@H]1N1CCN(C)CC1 ZINC000901272563 592308566 /nfs/dbraw/zinc/30/85/66/592308566.db2.gz MIUMNSLLAOMKKC-YRXWBPOGSA-N 1 3 348.535 1.488 20 0 EDADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903819881 592333307 /nfs/dbraw/zinc/33/33/07/592333307.db2.gz PDZIWWHNPNVHGO-SFHVURJKSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903819881 592333315 /nfs/dbraw/zinc/33/33/15/592333315.db2.gz PDZIWWHNPNVHGO-SFHVURJKSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN(C)CCOc2ccc(F)cc2)cnn1C ZINC000903875771 592356402 /nfs/dbraw/zinc/35/64/02/592356402.db2.gz BHHBUOQQOZLYGM-HNNXBMFYSA-N 1 3 334.439 1.996 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C3CCCCC3)CC2)cnn1C ZINC000903879197 592359841 /nfs/dbraw/zinc/35/98/41/592359841.db2.gz VHENOGCTPBQFKM-QGZVFWFLSA-N 1 3 333.524 1.796 20 0 EDADHO CCc1nccn1[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892313 592361513 /nfs/dbraw/zinc/36/15/13/592361513.db2.gz HIZWVFLZLDLBFB-WMZOPIPTSA-N 1 3 344.507 1.942 20 0 EDADHO COCCCOC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894796 592366140 /nfs/dbraw/zinc/36/61/40/592366140.db2.gz DXULLYIBVXOZFN-INIZCTEOSA-N 1 3 338.496 1.363 20 0 EDADHO NC[C@H]1c2ccccc2CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903931431 592383948 /nfs/dbraw/zinc/38/39/48/592383948.db2.gz DORGOZUPPSKYIO-YJBOKZPZSA-N 1 3 326.448 1.261 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1(O)CCC1 ZINC000905208493 592466021 /nfs/dbraw/zinc/46/60/21/592466021.db2.gz KPKUBRIXIWJGFL-INDMIFKZSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1(O)CCC1 ZINC000905208493 592466023 /nfs/dbraw/zinc/46/60/23/592466023.db2.gz KPKUBRIXIWJGFL-INDMIFKZSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(O)CCC1 ZINC000905208493 592466024 /nfs/dbraw/zinc/46/60/24/592466024.db2.gz KPKUBRIXIWJGFL-INDMIFKZSA-N 1 3 330.472 1.763 20 0 EDADHO CC(C)(C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000907017806 592481004 /nfs/dbraw/zinc/48/10/04/592481004.db2.gz OCCBQJKDEZRQQX-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000905342084 592511978 /nfs/dbraw/zinc/51/19/78/592511978.db2.gz FEPFCCWIWBGJRN-RDJZCZTQSA-N 1 3 341.521 1.265 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000905342082 592512009 /nfs/dbraw/zinc/51/20/09/592512009.db2.gz FEPFCCWIWBGJRN-DOTOQJQBSA-N 1 3 341.521 1.265 20 0 EDADHO C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000908489566 592516469 /nfs/dbraw/zinc/51/64/69/592516469.db2.gz GFSOEVSEPFXSRD-IRXDYDNUSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500981 592545616 /nfs/dbraw/zinc/54/56/16/592545616.db2.gz DGHQDFOQXYKBOM-ZAWLATJESA-N 1 3 346.475 1.480 20 0 EDADHO C[C@@H](NC(=O)C1CN(C)CCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286457 592584646 /nfs/dbraw/zinc/58/46/46/592584646.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 1 3 336.524 1.249 20 0 EDADHO C[C@@H](NC(=O)C1CN(C)CCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286457 592584648 /nfs/dbraw/zinc/58/46/48/592584648.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 1 3 336.524 1.249 20 0 EDADHO CC(C)[NH+]1CCN(CCC(=O)NCc2ccc3cncn3c2)CC1 ZINC000909879548 592705016 /nfs/dbraw/zinc/70/50/16/592705016.db2.gz VHSSABLAEXRGFJ-UHFFFAOYSA-N 1 3 329.448 1.367 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000907862343 592819551 /nfs/dbraw/zinc/81/95/51/592819551.db2.gz RAMRLMVDZQWPEL-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000907862343 592819554 /nfs/dbraw/zinc/81/95/54/592819554.db2.gz RAMRLMVDZQWPEL-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911054942 592911406 /nfs/dbraw/zinc/91/14/06/592911406.db2.gz LMALPYPFXSWZTD-JKSUJKDBSA-N 1 3 338.496 1.016 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462831 593096705 /nfs/dbraw/zinc/09/67/05/593096705.db2.gz BMVCJKHEQKLISZ-GOSISDBHSA-N 1 3 327.472 1.858 20 0 EDADHO CCOC(=O)CC(C)(C)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853109 593225506 /nfs/dbraw/zinc/22/55/06/593225506.db2.gz IVLBDEUHCUAWMO-IAGOWNOFSA-N 1 3 339.524 1.924 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000811953351 593487316 /nfs/dbraw/zinc/48/73/16/593487316.db2.gz ABSRFHKVFUCPQP-WBVHZDCISA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000811953351 593487317 /nfs/dbraw/zinc/48/73/17/593487317.db2.gz ABSRFHKVFUCPQP-WBVHZDCISA-N 1 3 340.512 1.658 20 0 EDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897820 593646981 /nfs/dbraw/zinc/64/69/81/593646981.db2.gz BOEVPGWXHZQDSY-JQWIXIFHSA-N 1 3 343.415 1.278 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000818540857 593704091 /nfs/dbraw/zinc/70/40/91/593704091.db2.gz HSVGHKUTSGKJTB-OAHLLOKOSA-N 1 3 331.416 1.532 20 0 EDADHO COCCOC[C@@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000818983017 593732213 /nfs/dbraw/zinc/73/22/13/593732213.db2.gz AQVDBCKAPCNAFG-SFHVURJKSA-N 1 3 328.497 1.645 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccccc2F)ccn1 ZINC000819195357 593743755 /nfs/dbraw/zinc/74/37/55/593743755.db2.gz AZIXWKMIYUFZQI-KRWDZBQOSA-N 1 3 333.407 1.984 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000824820148 594079948 /nfs/dbraw/zinc/07/99/48/594079948.db2.gz UVHVWYUXKPFSGP-AWEZNQCLSA-N 1 3 348.491 1.668 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000824820148 594079950 /nfs/dbraw/zinc/07/99/50/594079950.db2.gz UVHVWYUXKPFSGP-AWEZNQCLSA-N 1 3 348.491 1.668 20 0 EDADHO C[NH+]1CCC(C)(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826023233 594308611 /nfs/dbraw/zinc/30/86/11/594308611.db2.gz ZIPXOIXXMQMQFR-UHFFFAOYSA-N 1 3 340.435 1.336 20 0 EDADHO COC1CCN(C2(CNC(=O)[C@]3(F)CC[NH2+]C3)CCCC2)CC1 ZINC000828956716 594537281 /nfs/dbraw/zinc/53/72/81/594537281.db2.gz ROEXZFLPGXTKSC-KRWDZBQOSA-N 1 3 327.444 1.228 20 0 EDADHO [NH3+]CCCCCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000831146036 594568728 /nfs/dbraw/zinc/56/87/28/594568728.db2.gz BKQTVTNCNHBARE-GOSISDBHSA-N 1 3 348.491 1.572 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000829584249 594645089 /nfs/dbraw/zinc/64/50/89/594645089.db2.gz XGCPJUVORRDYOW-SFHVURJKSA-N 1 3 336.524 1.203 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841018649 594840272 /nfs/dbraw/zinc/84/02/72/594840272.db2.gz ZLKQXQQJGBUOGH-HNNXBMFYSA-N 1 3 331.464 1.784 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000836283819 594947124 /nfs/dbraw/zinc/94/71/24/594947124.db2.gz OJIVTPYOHIPPQD-DLBZAZTESA-N 1 3 338.496 1.415 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790497 594953458 /nfs/dbraw/zinc/95/34/58/594953458.db2.gz YIPDEHFSPLHLME-HZPDHXFCSA-N 1 3 336.480 1.025 20 0 EDADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847526 594964797 /nfs/dbraw/zinc/96/47/97/594964797.db2.gz PWRKBJSOYDBFMJ-LBPRGKRZSA-N 1 3 331.416 1.674 20 0 EDADHO N[C@H](CC(F)F)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330147 595076575 /nfs/dbraw/zinc/07/65/75/595076575.db2.gz RGKTVINWRYHEDR-CYBMUJFWSA-N 1 3 341.358 1.516 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319670 /nfs/dbraw/zinc/31/96/70/595319670.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319673 /nfs/dbraw/zinc/31/96/73/595319673.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319887 /nfs/dbraw/zinc/31/98/87/595319887.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319890 /nfs/dbraw/zinc/31/98/90/595319890.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 1 3 341.496 1.632 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848579157 595407974 /nfs/dbraw/zinc/40/79/74/595407974.db2.gz WVRIZSIRXIJDKN-QGZVFWFLSA-N 1 3 333.432 1.700 20 0 EDADHO COc1ccccc1CNC(=[NH2+])NCCCCN1CCN(C)CC1 ZINC000849060487 595476514 /nfs/dbraw/zinc/47/65/14/595476514.db2.gz AXZGVZCVEADUDY-UHFFFAOYSA-N 1 3 333.480 1.337 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074152 595478273 /nfs/dbraw/zinc/47/82/73/595478273.db2.gz BBFPPWMGCKKFEJ-MRXNPFEDSA-N 1 3 331.464 1.405 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486332 595547504 /nfs/dbraw/zinc/54/75/04/595547504.db2.gz GMVNWYXRAILDIK-MSOLQXFVSA-N 1 3 347.507 1.444 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858213 595580132 /nfs/dbraw/zinc/58/01/32/595580132.db2.gz UQVUQLKPWUSJRS-MRXNPFEDSA-N 1 3 330.432 1.133 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)C2=NO[C@H](CN)C2)CCCC1)c1ccccc1 ZINC000852867995 595587960 /nfs/dbraw/zinc/58/79/60/595587960.db2.gz KCVRJFUTVOGNOG-HOCLYGCPSA-N 1 3 344.459 1.870 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597418 /nfs/dbraw/zinc/59/74/18/595597418.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 1 3 333.480 1.056 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597420 /nfs/dbraw/zinc/59/74/20/595597420.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 1 3 333.480 1.056 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000855345918 595680603 /nfs/dbraw/zinc/68/06/03/595680603.db2.gz KHDAZCKCBMSMBB-WMLDXEAASA-N 1 3 347.459 1.156 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000855345918 595680607 /nfs/dbraw/zinc/68/06/07/595680607.db2.gz KHDAZCKCBMSMBB-WMLDXEAASA-N 1 3 347.459 1.156 20 0 EDADHO CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)ccn1 ZINC000856633501 596040275 /nfs/dbraw/zinc/04/02/75/596040275.db2.gz XYQFYDJXEWVTDN-GOSISDBHSA-N 1 3 348.491 1.855 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C=O)ccc1F ZINC000859352829 596060290 /nfs/dbraw/zinc/06/02/90/596060290.db2.gz ZBQUBOZDLQNSRF-UHFFFAOYSA-N 1 3 337.439 1.984 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870881707 596388428 /nfs/dbraw/zinc/38/84/28/596388428.db2.gz HJFMWJVXVKUDJC-UHFFFAOYSA-N 1 3 345.487 1.818 20 0 EDADHO COCC[C@H](CNC[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456666 596580867 /nfs/dbraw/zinc/58/08/67/596580867.db2.gz PKEDVESJYNYXGX-LSDHHAIUSA-N 1 3 329.485 1.848 20 0 EDADHO COCC[C@H](CNC[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456666 596580870 /nfs/dbraw/zinc/58/08/70/596580870.db2.gz PKEDVESJYNYXGX-LSDHHAIUSA-N 1 3 329.485 1.848 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N(C)C1CC1 ZINC000868228569 596736135 /nfs/dbraw/zinc/73/61/35/596736135.db2.gz GDAOJQORWYTQOA-XFBWCDHKSA-N 1 3 330.432 1.039 20 0 EDADHO Cn1ncc(I)c1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864050637 596744157 /nfs/dbraw/zinc/74/41/57/596744157.db2.gz MKZCPRDCNLEGSU-AOOOYVTPSA-N 1 3 348.232 1.455 20 0 EDADHO C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)CCCCCC[NH3+] ZINC000872155032 596815814 /nfs/dbraw/zinc/81/58/14/596815814.db2.gz KRMSFMNSEDHOQG-CQSZACIVSA-N 1 3 326.485 1.984 20 0 EDADHO C[C@H](C(=O)NC(=O)NCC(F)(F)F)N(C)CCCCCC[NH3+] ZINC000872154989 596815881 /nfs/dbraw/zinc/81/58/81/596815881.db2.gz ILIVYDPPDHPOIC-SNVBAGLBSA-N 1 3 326.363 1.214 20 0 EDADHO CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872232864 596846770 /nfs/dbraw/zinc/84/67/70/596846770.db2.gz ILCNDMOMIFDVDC-RBSFLKMASA-N 1 3 327.469 1.336 20 0 EDADHO [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000874432838 597076313 /nfs/dbraw/zinc/07/63/13/597076313.db2.gz RTSPWIKTOFYUPB-MUYFXNHWSA-N 1 3 328.460 1.926 20 0 EDADHO CN(C)CCN(CCN(C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110515 597094714 /nfs/dbraw/zinc/09/47/14/597094714.db2.gz OGQNZFVCDPYXNR-UHFFFAOYSA-N 1 3 341.544 1.384 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873110003 597198845 /nfs/dbraw/zinc/19/88/45/597198845.db2.gz IMNGLWORCVOMEO-UHFFFAOYSA-N 1 3 348.491 1.973 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000875071775 597269892 /nfs/dbraw/zinc/26/98/92/597269892.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000875071775 597269893 /nfs/dbraw/zinc/26/98/93/597269893.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 1 3 340.512 1.251 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(CN)cnn1C ZINC000876714170 597301020 /nfs/dbraw/zinc/30/10/20/597301020.db2.gz UYGDSSYWGATMTF-UHFFFAOYSA-N 1 3 329.448 1.651 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876728942 597309464 /nfs/dbraw/zinc/30/94/64/597309464.db2.gz ZYUYLBIMNKJZAM-UONOGXRCSA-N 1 3 329.485 1.412 20 0 EDADHO O=C(NC[C@H]1CNCCO1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916405 597384185 /nfs/dbraw/zinc/38/41/85/597384185.db2.gz BDXKFFFYVOTSEK-QZTJIDSGSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NC[C@H]1CNCCO1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916405 597384192 /nfs/dbraw/zinc/38/41/92/597384192.db2.gz BDXKFFFYVOTSEK-QZTJIDSGSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916407 597384205 /nfs/dbraw/zinc/38/42/05/597384205.db2.gz BDXKFFFYVOTSEK-ROUUACIJSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876916407 597384207 /nfs/dbraw/zinc/38/42/07/597384207.db2.gz BDXKFFFYVOTSEK-ROUUACIJSA-N 1 3 343.471 1.393 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCCCCCC[NH3+])ccc2[nH]c1=O ZINC000876938090 597390646 /nfs/dbraw/zinc/39/06/46/597390646.db2.gz PINJKQRGFFYEIJ-UHFFFAOYSA-N 1 3 347.463 1.552 20 0 EDADHO CCOC(=O)N[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000877145576 597442753 /nfs/dbraw/zinc/44/27/53/597442753.db2.gz LZVYZZVSHZAHLN-INIZCTEOSA-N 1 3 343.512 1.972 20 0 EDADHO C[C@@H](CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000875483919 597447784 /nfs/dbraw/zinc/44/77/84/597447784.db2.gz DNCPTXGBHKKIAS-HOTGVXAUSA-N 1 3 340.512 1.395 20 0 EDADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000877449351 597517028 /nfs/dbraw/zinc/51/70/28/597517028.db2.gz RFHJGPSOWWVDOC-BPQIPLTHSA-N 1 3 337.508 1.901 20 0 EDADHO COCCN(Cc1ccc2c(c1)oc(=O)n2C)CC1CC[NH+](C)CC1 ZINC000877664843 597545943 /nfs/dbraw/zinc/54/59/43/597545943.db2.gz YZOADJHPAYAOOQ-UHFFFAOYSA-N 1 3 347.459 1.922 20 0 EDADHO CN(C)C[C@@H]1C[NH+](CC2CCC3(CC2)OCCO3)C[C@H]1CN(C)C ZINC000877669468 597546478 /nfs/dbraw/zinc/54/64/78/597546478.db2.gz KPOUCDVEJFQQFP-QZTJIDSGSA-N 1 3 339.524 1.591 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878311417 597594513 /nfs/dbraw/zinc/59/45/13/597594513.db2.gz KXDKVEQRHTXPAV-GOSISDBHSA-N 1 3 339.524 1.672 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878311417 597594514 /nfs/dbraw/zinc/59/45/14/597594514.db2.gz KXDKVEQRHTXPAV-GOSISDBHSA-N 1 3 339.524 1.672 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580218 597642130 /nfs/dbraw/zinc/64/21/30/597642130.db2.gz FTLKZWMUSVFMHA-GUDVDZBRSA-N 1 3 344.503 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580218 597642132 /nfs/dbraw/zinc/64/21/32/597642132.db2.gz FTLKZWMUSVFMHA-GUDVDZBRSA-N 1 3 344.503 1.432 20 0 EDADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@@H]3C2)CC1 ZINC000992850151 695406682 /nfs/dbraw/zinc/40/66/82/695406682.db2.gz BMMQANWFCOKFJZ-BBWFWOEESA-N 1 3 325.472 1.905 20 0 EDADHO O=C(CN1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992924368 695456337 /nfs/dbraw/zinc/45/63/37/695456337.db2.gz XMPVHHYDEKZPLA-BHYGNILZSA-N 1 3 348.516 1.956 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1cnn(C)c1 ZINC000994260049 696672784 /nfs/dbraw/zinc/67/27/84/696672784.db2.gz XKELOSPBVWIFER-NVXWUHKLSA-N 1 3 345.491 1.028 20 0 EDADHO Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994403282 696826071 /nfs/dbraw/zinc/82/60/71/696826071.db2.gz BQTCTROYHJDVHM-SJLPKXTDSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ncccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994403282 696826075 /nfs/dbraw/zinc/82/60/75/696826075.db2.gz BQTCTROYHJDVHM-SJLPKXTDSA-N 1 3 330.476 1.955 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC[S@@](=O)C(F)(F)F ZINC000930114626 697392941 /nfs/dbraw/zinc/39/29/41/697392941.db2.gz OKGWDWYZWQBCLV-OAQYLSRUSA-N 1 3 329.432 1.213 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC[S@@](=O)C(F)(F)F ZINC000930114626 697392943 /nfs/dbraw/zinc/39/29/43/697392943.db2.gz OKGWDWYZWQBCLV-OAQYLSRUSA-N 1 3 329.432 1.213 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)CC[N@@H+]1C ZINC001031681755 697505699 /nfs/dbraw/zinc/50/56/99/697505699.db2.gz HXOAXKBRHMAFJQ-ZTFGCOKTSA-N 1 3 337.508 1.316 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@@H](O)C3CCCCC3)C2)CC[N@H+]1C ZINC001031681755 697505702 /nfs/dbraw/zinc/50/57/02/697505702.db2.gz HXOAXKBRHMAFJQ-ZTFGCOKTSA-N 1 3 337.508 1.316 20 0 EDADHO CC1(C)CO[C@H](CN2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001031764581 699053500 /nfs/dbraw/zinc/05/35/00/699053500.db2.gz JGHSEDCJMCYKQA-KRWDZBQOSA-N 1 3 349.519 1.726 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133669 699218162 /nfs/dbraw/zinc/21/81/62/699218162.db2.gz SWLMZZPLPLLYOQ-WMLDXEAASA-N 1 3 348.466 1.889 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133668 699218298 /nfs/dbraw/zinc/21/82/98/699218298.db2.gz SWLMZZPLPLLYOQ-RHSMWYFYSA-N 1 3 348.466 1.889 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC000939132129 699230754 /nfs/dbraw/zinc/23/07/54/699230754.db2.gz FNXKCOPGQGQFBA-YOEHRIQHSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939543831 699685094 /nfs/dbraw/zinc/68/50/94/699685094.db2.gz GCRYPTZOFWQEMF-WBVHZDCISA-N 1 3 328.460 1.422 20 0 EDADHO CC1(C)CC(C[NH+]2CC(N3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC000941668253 701622214 /nfs/dbraw/zinc/62/22/14/701622214.db2.gz JQQIQGRTAKENGP-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1)N(C)C ZINC000940163164 700297415 /nfs/dbraw/zinc/29/74/15/700297415.db2.gz WJFBBGVASFULRD-CVEARBPZSA-N 1 3 325.497 1.580 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327951 700505321 /nfs/dbraw/zinc/50/53/21/700505321.db2.gz ARFJBPRBMIXKPJ-DOTOQJQBSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327951 700505322 /nfs/dbraw/zinc/50/53/22/700505322.db2.gz ARFJBPRBMIXKPJ-DOTOQJQBSA-N 1 3 347.507 1.571 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921938 701071525 /nfs/dbraw/zinc/07/15/25/701071525.db2.gz OAQTTWSNKIZVNH-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921938 701071526 /nfs/dbraw/zinc/07/15/26/701071526.db2.gz OAQTTWSNKIZVNH-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncsc1CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168583 706596649 /nfs/dbraw/zinc/59/66/49/706596649.db2.gz GXECXHHAPQHVDU-JKSUJKDBSA-N 1 3 348.516 1.874 20 0 EDADHO Cc1ccc(C)c(CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130386 701841335 /nfs/dbraw/zinc/84/13/35/701841335.db2.gz NVTFZOXQCWJJPI-UHFFFAOYSA-N 1 3 327.472 1.947 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205714 702093887 /nfs/dbraw/zinc/09/38/87/702093887.db2.gz GJNBXRIPEKBGMS-QZTJIDSGSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000995922567 702245936 /nfs/dbraw/zinc/24/59/36/702245936.db2.gz FLWALVWMYCZHQT-IRXDYDNUSA-N 1 3 347.507 1.698 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)CC1 ZINC000996223230 702633038 /nfs/dbraw/zinc/63/30/38/702633038.db2.gz PKCDAPIHITUOFB-OAHLLOKOSA-N 1 3 336.505 1.812 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300391 702691674 /nfs/dbraw/zinc/69/16/74/702691674.db2.gz LHNIUMSLCSIZKI-DYVFJYSZSA-N 1 3 329.460 1.018 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)N(C)C ZINC000996315952 702704133 /nfs/dbraw/zinc/70/41/33/702704133.db2.gz VHBHQBQCBJEJQN-HOTGVXAUSA-N 1 3 336.455 1.888 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953206 702802413 /nfs/dbraw/zinc/80/24/13/702802413.db2.gz KXCRNUKEHKIAEH-KRWDZBQOSA-N 1 3 337.508 1.558 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518602 702854044 /nfs/dbraw/zinc/85/40/44/702854044.db2.gz LXLGVSYJCFZKAA-WBVHZDCISA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518602 702854046 /nfs/dbraw/zinc/85/40/46/702854046.db2.gz LXLGVSYJCFZKAA-WBVHZDCISA-N 1 3 347.507 1.397 20 0 EDADHO CCn1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000996666998 702963874 /nfs/dbraw/zinc/96/38/74/702963874.db2.gz RLYFEDXEOVKNOG-UHFFFAOYSA-N 1 3 333.480 1.468 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996673277 702968859 /nfs/dbraw/zinc/96/88/59/702968859.db2.gz VEORGONLGBJBDD-UHFFFAOYSA-N 1 3 330.476 1.955 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CC1 ZINC000996674218 702969369 /nfs/dbraw/zinc/96/93/69/702969369.db2.gz BEJNIFULYKFONU-DLBZAZTESA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996681301 702979725 /nfs/dbraw/zinc/97/97/25/702979725.db2.gz YZPCJZMFSLLVSN-KRWDZBQOSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996681301 702979727 /nfs/dbraw/zinc/97/97/27/702979727.db2.gz YZPCJZMFSLLVSN-KRWDZBQOSA-N 1 3 347.507 1.764 20 0 EDADHO CCC[NH+]1CCN(C2CCC(NC(=O)Cn3cncc3C)CC2)CC1 ZINC000996781254 703069262 /nfs/dbraw/zinc/06/92/62/703069262.db2.gz FDLDQWLOCYHVKG-UHFFFAOYSA-N 1 3 347.507 1.647 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)ncn1 ZINC000997000548 703257239 /nfs/dbraw/zinc/25/72/39/703257239.db2.gz QPRGBEZPXRGYQI-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184974 703473996 /nfs/dbraw/zinc/47/39/96/703473996.db2.gz OEXKQMMSLBQQAQ-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184974 703473998 /nfs/dbraw/zinc/47/39/98/703473998.db2.gz OEXKQMMSLBQQAQ-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000997366453 703600575 /nfs/dbraw/zinc/60/05/75/703600575.db2.gz BGGBKNHMYRYZRB-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000997366453 703600576 /nfs/dbraw/zinc/60/05/76/703600576.db2.gz BGGBKNHMYRYZRB-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804389 704716261 /nfs/dbraw/zinc/71/62/61/704716261.db2.gz RFMMPICOXUVYEN-RBUKOAKNSA-N 1 3 349.519 1.868 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CC1 ZINC000997830597 704748924 /nfs/dbraw/zinc/74/89/24/704748924.db2.gz JUAPQQJUBWWLJB-SFHVURJKSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997830379 704749022 /nfs/dbraw/zinc/74/90/22/704749022.db2.gz JEUJGUKEWYKGCA-KRWDZBQOSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998735039 706168903 /nfs/dbraw/zinc/16/89/03/706168903.db2.gz YKQNBFBTVJTVPO-ROUUACIJSA-N 1 3 347.507 1.947 20 0 EDADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999144723 706558063 /nfs/dbraw/zinc/55/80/63/706558063.db2.gz MURPSPDONKOUAD-NVXWUHKLSA-N 1 3 348.495 1.251 20 0 EDADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999144723 706558064 /nfs/dbraw/zinc/55/80/64/706558064.db2.gz MURPSPDONKOUAD-NVXWUHKLSA-N 1 3 348.495 1.251 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999145000 706558892 /nfs/dbraw/zinc/55/88/92/706558892.db2.gz NVHPYWSRMIMVSK-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999145000 706558895 /nfs/dbraw/zinc/55/88/95/706558895.db2.gz NVHPYWSRMIMVSK-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999397933 706892263 /nfs/dbraw/zinc/89/22/63/706892263.db2.gz AJXWCFSGTCVNGA-ROUUACIJSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999397933 706892265 /nfs/dbraw/zinc/89/22/65/706892265.db2.gz AJXWCFSGTCVNGA-ROUUACIJSA-N 1 3 347.507 1.684 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999403519 706912274 /nfs/dbraw/zinc/91/22/74/706912274.db2.gz QOPWRHLAIAIFOA-GTPINHCMSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407424 706917188 /nfs/dbraw/zinc/91/71/88/706917188.db2.gz UUCBCIVDXUAGQK-NVPAJSRCSA-N 1 3 334.439 1.784 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999410306 706920160 /nfs/dbraw/zinc/92/01/60/706920160.db2.gz UYANTKSXMXWQHY-UHFFFAOYSA-N 1 3 336.505 1.954 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999572329 707078376 /nfs/dbraw/zinc/07/83/76/707078376.db2.gz CQWUVMAJYGASPX-WMZOPIPTSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999572329 707078379 /nfs/dbraw/zinc/07/83/79/707078379.db2.gz CQWUVMAJYGASPX-WMZOPIPTSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999572914 707079305 /nfs/dbraw/zinc/07/93/05/707079305.db2.gz GGJXRKYRQFJDDC-MSOLQXFVSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999572914 707079306 /nfs/dbraw/zinc/07/93/06/707079306.db2.gz GGJXRKYRQFJDDC-MSOLQXFVSA-N 1 3 347.507 1.621 20 0 EDADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033181994 707341002 /nfs/dbraw/zinc/34/10/02/707341002.db2.gz LGXFMDPZJVXPDA-QGZVFWFLSA-N 1 3 345.491 1.292 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033357896 707677050 /nfs/dbraw/zinc/67/70/50/707677050.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033357896 707677052 /nfs/dbraw/zinc/67/70/52/707677052.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 1 3 337.508 1.819 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCC[C@@H]1CCOC1 ZINC001032800815 708083759 /nfs/dbraw/zinc/08/37/59/708083759.db2.gz AYZDCHBPDGQTCQ-QYZOEREBSA-N 1 3 349.519 1.964 20 0 EDADHO CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686711 708501777 /nfs/dbraw/zinc/50/17/77/708501777.db2.gz SDCHSJKFYHDTIT-NVXWUHKLSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686711 708501780 /nfs/dbraw/zinc/50/17/80/708501780.db2.gz SDCHSJKFYHDTIT-NVXWUHKLSA-N 1 3 333.476 1.929 20 0 EDADHO O=C(NCC1CCN(Cc2cccnc2)CC1)C12CC[NH+](CC1)C2 ZINC001002042783 708533190 /nfs/dbraw/zinc/53/31/90/708533190.db2.gz JCXWIIVIEMLAGT-UHFFFAOYSA-N 1 3 328.460 1.506 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906360 709036346 /nfs/dbraw/zinc/03/63/46/709036346.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906360 709036347 /nfs/dbraw/zinc/03/63/47/709036347.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCN(CCCF)C1 ZINC001033983248 709192271 /nfs/dbraw/zinc/19/22/71/709192271.db2.gz NWNLLWQIBRZPKS-INIZCTEOSA-N 1 3 339.459 1.341 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001002859924 709468381 /nfs/dbraw/zinc/46/83/81/709468381.db2.gz VDHTZWPGCBXZPQ-ZWKOTPCHSA-N 1 3 347.507 1.274 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001002859924 709468382 /nfs/dbraw/zinc/46/83/82/709468382.db2.gz VDHTZWPGCBXZPQ-ZWKOTPCHSA-N 1 3 347.507 1.274 20 0 EDADHO Cn1cc(CCN2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488645 710137458 /nfs/dbraw/zinc/13/74/58/710137458.db2.gz WZLFCMHMUSWJSH-KRWDZBQOSA-N 1 3 345.491 1.029 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526088 710177728 /nfs/dbraw/zinc/17/77/28/710177728.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 1 3 336.505 1.608 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526088 710177730 /nfs/dbraw/zinc/17/77/30/710177730.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 1 3 336.505 1.608 20 0 EDADHO C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034535185 710206891 /nfs/dbraw/zinc/20/68/91/710206891.db2.gz CJHNXOMGYJLWMJ-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034535185 710206892 /nfs/dbraw/zinc/20/68/92/710206892.db2.gz CJHNXOMGYJLWMJ-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003482025 710370644 /nfs/dbraw/zinc/37/06/44/710370644.db2.gz ROWOGESYZTWOTA-KRWDZBQOSA-N 1 3 347.507 1.586 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003482025 710370646 /nfs/dbraw/zinc/37/06/46/710370646.db2.gz ROWOGESYZTWOTA-KRWDZBQOSA-N 1 3 347.507 1.586 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634389 710461860 /nfs/dbraw/zinc/46/18/60/710461860.db2.gz KAYDEDXOICFHKQ-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634389 710461861 /nfs/dbraw/zinc/46/18/61/710461861.db2.gz KAYDEDXOICFHKQ-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034659681 710589032 /nfs/dbraw/zinc/58/90/32/710589032.db2.gz XSYCWLTUYDHOCK-BQFCYCMXSA-N 1 3 347.507 1.812 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738821 710931456 /nfs/dbraw/zinc/93/14/56/710931456.db2.gz VQQQFOWWMIQCDH-DTZQCDIJSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738821 710931460 /nfs/dbraw/zinc/93/14/60/710931460.db2.gz VQQQFOWWMIQCDH-DTZQCDIJSA-N 1 3 334.464 1.698 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034796810 711129168 /nfs/dbraw/zinc/12/91/68/711129168.db2.gz NZGZBBZZXGORFM-DSPLQEQRSA-N 1 3 348.495 1.168 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003974683 711134084 /nfs/dbraw/zinc/13/40/84/711134084.db2.gz IUSOHIIUGLPNKA-MRXNPFEDSA-N 1 3 347.507 1.368 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003974683 711134086 /nfs/dbraw/zinc/13/40/86/711134086.db2.gz IUSOHIIUGLPNKA-MRXNPFEDSA-N 1 3 347.507 1.368 20 0 EDADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)cc1 ZINC001034823090 711224863 /nfs/dbraw/zinc/22/48/63/711224863.db2.gz RDZMETWYXAVHPT-HFCFLWKCSA-N 1 3 329.444 1.276 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001004052325 711340101 /nfs/dbraw/zinc/34/01/01/711340101.db2.gz GTNXFMTVGUJMQO-MRXNPFEDSA-N 1 3 334.464 1.800 20 0 EDADHO COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2cnc(C)o2)c1 ZINC001034957160 711428504 /nfs/dbraw/zinc/42/85/04/711428504.db2.gz KNXTYJORRSRGIY-OAHLLOKOSA-N 1 3 344.415 1.710 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392621 711457804 /nfs/dbraw/zinc/45/78/04/711457804.db2.gz MSUKFERMOUOFIU-VXIBKDFQSA-N 1 3 347.507 1.502 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392621 711457808 /nfs/dbraw/zinc/45/78/08/711457808.db2.gz MSUKFERMOUOFIU-VXIBKDFQSA-N 1 3 347.507 1.502 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001004142211 711541978 /nfs/dbraw/zinc/54/19/78/711541978.db2.gz IFYXNNWPJNQHCT-QGZVFWFLSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001004142211 711541981 /nfs/dbraw/zinc/54/19/81/711541981.db2.gz IFYXNNWPJNQHCT-QGZVFWFLSA-N 1 3 331.460 1.211 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000369048551 282131923 /nfs/dbraw/zinc/13/19/23/282131923.db2.gz WEAMGSVRNUVEMC-BZSNNMDCSA-N 1 3 346.475 1.452 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000369048551 282131926 /nfs/dbraw/zinc/13/19/26/282131926.db2.gz WEAMGSVRNUVEMC-BZSNNMDCSA-N 1 3 346.475 1.452 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000354004006 282213294 /nfs/dbraw/zinc/21/32/94/282213294.db2.gz WMSZMZZVVKTSOB-ZJPYXAASSA-N 1 3 335.492 1.571 20 0 EDADHO COC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178689161 232379108 /nfs/dbraw/zinc/37/91/08/232379108.db2.gz BHOGKKRMVIDZTD-UHFFFAOYSA-N 1 3 345.487 1.578 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210576 306323862 /nfs/dbraw/zinc/32/38/62/306323862.db2.gz BOIBHUJCBHGSJI-MAUKXSAKSA-N 1 3 330.476 1.016 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342765989 291049224 /nfs/dbraw/zinc/04/92/24/291049224.db2.gz RJDAGEDPYCWDGV-XHSDSOJGSA-N 1 3 339.480 1.380 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000342765989 291049228 /nfs/dbraw/zinc/04/92/28/291049228.db2.gz RJDAGEDPYCWDGV-XHSDSOJGSA-N 1 3 339.480 1.380 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000563331660 306327644 /nfs/dbraw/zinc/32/76/44/306327644.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 1 3 346.475 1.015 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)C1 ZINC000563331660 306327645 /nfs/dbraw/zinc/32/76/45/306327645.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 1 3 346.475 1.015 20 0 EDADHO C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCCCN1 ZINC000422842501 299286622 /nfs/dbraw/zinc/28/66/22/299286622.db2.gz YLDTVJIIQWCYFG-DOTOQJQBSA-N 1 3 338.540 1.733 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000183244536 138782781 /nfs/dbraw/zinc/78/27/81/138782781.db2.gz JNNWTFRBTXFJEF-UHFFFAOYSA-N 1 3 348.491 1.872 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000414858873 283529222 /nfs/dbraw/zinc/52/92/22/283529222.db2.gz SSSVCIIOAHZKKH-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195183 304105276 /nfs/dbraw/zinc/10/52/76/304105276.db2.gz NUKIZCRRHCDYKH-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO CCN(CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000136038824 201130891 /nfs/dbraw/zinc/13/08/91/201130891.db2.gz UEGGJKWZCBWXMR-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000566019620 306396882 /nfs/dbraw/zinc/39/68/82/306396882.db2.gz NRXCMRTWWFZXTJ-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566209253 306403871 /nfs/dbraw/zinc/40/38/71/306403871.db2.gz RARJMTNACHPWND-CYBMUJFWSA-N 1 3 331.416 1.684 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)NC2CC2)c1 ZINC000566288350 306407226 /nfs/dbraw/zinc/40/72/26/306407226.db2.gz DCNRNUODKYWUIA-CQSZACIVSA-N 1 3 346.475 1.837 20 0 EDADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698231 304129420 /nfs/dbraw/zinc/12/94/20/304129420.db2.gz ITQOYVORLYPDIY-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698231 304129421 /nfs/dbraw/zinc/12/94/21/304129421.db2.gz ITQOYVORLYPDIY-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000414699518 304129281 /nfs/dbraw/zinc/12/92/81/304129281.db2.gz INRZOKYIPHIIKJ-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000414705864 304130208 /nfs/dbraw/zinc/13/02/08/304130208.db2.gz NTWFWUIDHLHKDU-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)C1 ZINC000414712685 304131805 /nfs/dbraw/zinc/13/18/05/304131805.db2.gz NVWMXZVHTLOCOD-MJGOQNOKSA-N 1 3 345.487 1.457 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)C1 ZINC000414712685 304131807 /nfs/dbraw/zinc/13/18/07/304131807.db2.gz NVWMXZVHTLOCOD-MJGOQNOKSA-N 1 3 345.487 1.457 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000414749799 304137061 /nfs/dbraw/zinc/13/70/61/304137061.db2.gz WPGIGYYZMZLZDL-GJZGRUSLSA-N 1 3 346.475 1.581 20 0 EDADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000414783727 304140398 /nfs/dbraw/zinc/14/03/98/304140398.db2.gz ZWMRDRCSYNAQLH-KDOFPFPSSA-N 1 3 336.432 1.738 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000414839468 304146448 /nfs/dbraw/zinc/14/64/48/304146448.db2.gz XOGJLDAKMHZUHE-MRXNPFEDSA-N 1 3 344.459 1.478 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000415077315 304158035 /nfs/dbraw/zinc/15/80/35/304158035.db2.gz HKLUKZAKSFVPQF-UHFFFAOYSA-N 1 3 334.464 1.391 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000415092776 304159147 /nfs/dbraw/zinc/15/91/47/304159147.db2.gz BHJNXOIETPUAIQ-LTFXXXRZSA-N 1 3 349.498 1.843 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104255 304160514 /nfs/dbraw/zinc/16/05/14/304160514.db2.gz KOJKKMYUGITERM-PBHICJAKSA-N 1 3 341.459 1.897 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000415118302 304161382 /nfs/dbraw/zinc/16/13/82/304161382.db2.gz XXPYMKRLRBWXNJ-QGZVFWFLSA-N 1 3 344.459 1.431 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194829839 139001011 /nfs/dbraw/zinc/00/10/11/139001011.db2.gz GTGRLLIOPMFVOX-BETUJISGSA-N 1 3 340.493 1.264 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000105113753 204134734 /nfs/dbraw/zinc/13/47/34/204134734.db2.gz QAGYTDDHKRGIEK-QGZVFWFLSA-N 1 3 348.491 1.863 20 0 EDADHO CCC[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000236803694 139031961 /nfs/dbraw/zinc/03/19/61/139031961.db2.gz MYVZAILEDZYBBA-QGZVFWFLSA-N 1 3 334.464 1.379 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415161062 304168167 /nfs/dbraw/zinc/16/81/67/304168167.db2.gz MDFYDQHRIVZIMB-SJORKVTESA-N 1 3 344.459 1.430 20 0 EDADHO COc1cc(CNC(=O)C2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000237336022 139048374 /nfs/dbraw/zinc/04/83/74/139048374.db2.gz FGEUXHMIHVESPA-UHFFFAOYSA-N 1 3 335.448 1.251 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000415179312 304171598 /nfs/dbraw/zinc/17/15/98/304171598.db2.gz LGBRVXULJMBJFC-OAHLLOKOSA-N 1 3 332.448 1.287 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000415180276 304171862 /nfs/dbraw/zinc/17/18/62/304171862.db2.gz NCQWQUSVGOQXEE-INIZCTEOSA-N 1 3 332.448 1.287 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCC[NH+](C)C)N2CCCC2)c1 ZINC000133349285 205364865 /nfs/dbraw/zinc/36/48/65/205364865.db2.gz FAUUSFBIFVLPRL-QGZVFWFLSA-N 1 3 334.464 1.693 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)CN1 ZINC000237567606 139054437 /nfs/dbraw/zinc/05/44/37/139054437.db2.gz CASKOISUJAVCJQ-IAGOWNOFSA-N 1 3 330.476 1.408 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719279 139058497 /nfs/dbraw/zinc/05/84/97/139058497.db2.gz QWBIIRGHSFFOLN-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000237718374 139058594 /nfs/dbraw/zinc/05/85/94/139058594.db2.gz VLBWGEUOWVYPJN-SFHVURJKSA-N 1 3 344.503 1.704 20 0 EDADHO N[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000237847128 139061712 /nfs/dbraw/zinc/06/17/12/139061712.db2.gz GXXPRWQKKBODCD-MAUKXSAKSA-N 1 3 331.460 1.694 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000237915653 139063804 /nfs/dbraw/zinc/06/38/04/139063804.db2.gz BSUUPFRJABLFBM-LSDHHAIUSA-N 1 3 325.522 1.982 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238018731 139066645 /nfs/dbraw/zinc/06/66/45/139066645.db2.gz IWYLSTSOTAKPEP-UHFFFAOYSA-N 1 3 344.503 1.705 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000111841999 220204554 /nfs/dbraw/zinc/20/45/54/220204554.db2.gz USZSBYMBTTYGOV-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000111841999 220204558 /nfs/dbraw/zinc/20/45/58/220204558.db2.gz USZSBYMBTTYGOV-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415232002 304177090 /nfs/dbraw/zinc/17/70/90/304177090.db2.gz PUDGDJXJOYKPSM-UHFFFAOYSA-N 1 3 346.475 1.679 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245882486 139088477 /nfs/dbraw/zinc/08/84/77/139088477.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 1 3 348.535 1.630 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245882486 139088478 /nfs/dbraw/zinc/08/84/78/139088478.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 1 3 348.535 1.630 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000157921539 206164248 /nfs/dbraw/zinc/16/42/48/206164248.db2.gz MKEYMNNXAFMUSW-IEBWSBKVSA-N 1 3 344.503 1.751 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246994974 139130168 /nfs/dbraw/zinc/13/01/68/139130168.db2.gz PKSIBYDXMRVMRO-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246994974 139130169 /nfs/dbraw/zinc/13/01/69/139130169.db2.gz PKSIBYDXMRVMRO-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)CC)[C@H](C)C1 ZINC000247218330 139140847 /nfs/dbraw/zinc/14/08/47/139140847.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 1 3 328.501 1.374 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)CC)[C@H](C)C1 ZINC000247218330 139140848 /nfs/dbraw/zinc/14/08/48/139140848.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 1 3 328.501 1.374 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000423358462 284754347 /nfs/dbraw/zinc/75/43/47/284754347.db2.gz UFPLYHJYCKWVDE-QZTJIDSGSA-N 1 3 345.491 1.898 20 0 EDADHO Cc1ccc(-c2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cc1 ZINC000261650386 139214476 /nfs/dbraw/zinc/21/44/76/139214476.db2.gz JPMAZMWTVIBDDM-MRXNPFEDSA-N 1 3 342.443 1.937 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000262028146 139244955 /nfs/dbraw/zinc/24/49/55/139244955.db2.gz PFCOYANCGZFINH-KRWDZBQOSA-N 1 3 325.497 1.615 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000262110711 139251651 /nfs/dbraw/zinc/25/16/51/139251651.db2.gz VPQJENWHFLRZMB-LJQANCHMSA-N 1 3 330.476 1.639 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128275 139253248 /nfs/dbraw/zinc/25/32/48/139253248.db2.gz CVCMPDKVMKUNJS-MBOZVWFJSA-N 1 3 349.519 1.996 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415551739 251005946 /nfs/dbraw/zinc/00/59/46/251005946.db2.gz LTILPYLFZUTVRM-UHFFFAOYSA-N 1 3 344.459 1.289 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250146 139263602 /nfs/dbraw/zinc/26/36/02/139263602.db2.gz LOAMENCYCWWTDZ-DOTOQJQBSA-N 1 3 331.460 1.694 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000417023787 251136298 /nfs/dbraw/zinc/13/62/98/251136298.db2.gz WQDHKRSGFNBUKE-HOTGVXAUSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]1 ZINC000262341182 139271595 /nfs/dbraw/zinc/27/15/95/139271595.db2.gz GCXINPXOEABYKU-HOTGVXAUSA-N 1 3 345.487 1.648 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417439405 251175061 /nfs/dbraw/zinc/17/50/61/251175061.db2.gz LMWBNTGOIXQBGB-GJZGRUSLSA-N 1 3 326.485 1.304 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761045 251259580 /nfs/dbraw/zinc/25/95/80/251259580.db2.gz YPJCGERZZHFMSL-HNNXBMFYSA-N 1 3 327.517 1.077 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCSC1 ZINC000417842801 251294001 /nfs/dbraw/zinc/29/40/01/251294001.db2.gz YMHZYAQNSNJEMU-ZOBUZTSGSA-N 1 3 340.537 1.455 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000417847061 251295315 /nfs/dbraw/zinc/29/53/15/251295315.db2.gz YYQCTVYNXGIZGT-HOCLYGCPSA-N 1 3 342.447 1.022 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417802328 251276035 /nfs/dbraw/zinc/27/60/35/251276035.db2.gz DRWKAUHKBBJGJN-HZPDHXFCSA-N 1 3 340.512 1.563 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000417871421 251306885 /nfs/dbraw/zinc/30/68/85/251306885.db2.gz JLHTXECVNGBUJS-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992489 251319021 /nfs/dbraw/zinc/31/90/21/251319021.db2.gz MQHMGYVYHUKSIY-DLBZAZTESA-N 1 3 334.464 1.036 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109423 251324203 /nfs/dbraw/zinc/32/42/03/251324203.db2.gz CSOZWMODJRRWNP-OWCLPIDISA-N 1 3 326.485 1.304 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108180 251325188 /nfs/dbraw/zinc/32/51/88/251325188.db2.gz AOJGHPVTSQPPIS-HOTGVXAUSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000262523708 139284273 /nfs/dbraw/zinc/28/42/73/139284273.db2.gz JQIQKZMKZORZLA-JKSUJKDBSA-N 1 3 348.491 1.259 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@@H]1[NH3+] ZINC000418162666 251349837 /nfs/dbraw/zinc/34/98/37/251349837.db2.gz GMEGWYKFSUXYAV-KDOFPFPSSA-N 1 3 346.475 1.648 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418532586 251377756 /nfs/dbraw/zinc/37/77/56/251377756.db2.gz XSTUQXHMLFNWPI-SFHVURJKSA-N 1 3 332.492 1.802 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262788451 139303601 /nfs/dbraw/zinc/30/36/01/139303601.db2.gz NXPPZZSYKLRQBS-OAGGEKHMSA-N 1 3 331.464 1.506 20 0 EDADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc3c2CNCC3)o1 ZINC000262825472 139306224 /nfs/dbraw/zinc/30/62/24/139306224.db2.gz YCPWSDREXYZJKH-UHFFFAOYSA-N 1 3 331.420 1.161 20 0 EDADHO C[NH2+]CC(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000262814055 139305411 /nfs/dbraw/zinc/30/54/11/139305411.db2.gz YXGWATXGELNSTI-INIZCTEOSA-N 1 3 327.432 1.796 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878334 252007520 /nfs/dbraw/zinc/00/75/20/252007520.db2.gz IZKPRUOHNBDTPP-IPMKNSEASA-N 1 3 343.519 1.844 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063030 252031665 /nfs/dbraw/zinc/03/16/65/252031665.db2.gz OGALMCFQZAZACA-GJZGRUSLSA-N 1 3 336.480 1.738 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063032 252031892 /nfs/dbraw/zinc/03/18/92/252031892.db2.gz OGALMCFQZAZACA-HUUCEWRRSA-N 1 3 336.480 1.738 20 0 EDADHO CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423178151 252043143 /nfs/dbraw/zinc/04/31/43/252043143.db2.gz KJWILMDWWPJIEG-DOTOQJQBSA-N 1 3 346.475 1.088 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423961507 252109250 /nfs/dbraw/zinc/10/92/50/252109250.db2.gz ZWLUUVKNPMUHMU-UHFFFAOYSA-N 1 3 344.503 1.694 20 0 EDADHO CCN1CCN(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000424013352 252114115 /nfs/dbraw/zinc/11/41/15/252114115.db2.gz QXHYGIZJRAETQT-ZWKOTPCHSA-N 1 3 348.466 1.106 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262911986 139312389 /nfs/dbraw/zinc/31/23/89/139312389.db2.gz YQJVYYCQXNJPRA-ZDUSSCGKSA-N 1 3 332.448 1.450 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCO1 ZINC000424023971 252118046 /nfs/dbraw/zinc/11/80/46/252118046.db2.gz QJTBSOHOGAKTDJ-AEFFLSMTSA-N 1 3 349.450 1.614 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424216195 252165818 /nfs/dbraw/zinc/16/58/18/252165818.db2.gz IBQKDTHELUBXLR-RCCFBDPRSA-N 1 3 345.512 1.814 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424130376 252133697 /nfs/dbraw/zinc/13/36/97/252133697.db2.gz HNPRDSRJDUAXIZ-HNNXBMFYSA-N 1 3 328.420 1.517 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000424340652 252198962 /nfs/dbraw/zinc/19/89/62/252198962.db2.gz YNSQNEVRPMNUMC-HZPDHXFCSA-N 1 3 336.505 1.252 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000424466179 252241023 /nfs/dbraw/zinc/24/10/23/252241023.db2.gz LAGXTZWZWZQHPZ-YOEHRIQHSA-N 1 3 344.459 1.477 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@H]2C)c1 ZINC000424466176 252241269 /nfs/dbraw/zinc/24/12/69/252241269.db2.gz LAGXTZWZWZQHPZ-PBHICJAKSA-N 1 3 344.459 1.477 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000424442459 252232655 /nfs/dbraw/zinc/23/26/55/252232655.db2.gz VLOYFWXTMIXOTG-CQSZACIVSA-N 1 3 332.448 1.383 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000426210181 252325409 /nfs/dbraw/zinc/32/54/09/252325409.db2.gz LBVGRJZKHNOLLO-HLLBOEOZSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210181 252325410 /nfs/dbraw/zinc/32/54/10/252325410.db2.gz LBVGRJZKHNOLLO-HLLBOEOZSA-N 1 3 338.496 1.364 20 0 EDADHO COC1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167547126 532974410 /nfs/dbraw/zinc/97/44/10/532974410.db2.gz PDNMQRACNNEKBL-AEFFLSMTSA-N 1 3 345.487 1.924 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000415679037 304254920 /nfs/dbraw/zinc/25/49/20/304254920.db2.gz OVHGFMLSEQLZNZ-HIFRSBDPSA-N 1 3 332.448 1.252 20 0 EDADHO CN(C)[C@@H](CNC(=O)N(C)CC[NH+]1CCCC1)Cc1ccccc1 ZINC000112740370 220391706 /nfs/dbraw/zinc/39/17/06/220391706.db2.gz KNNBHKBKYZKCKG-GOSISDBHSA-N 1 3 332.492 1.897 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccnn1CCN(C)C ZINC000415758434 304266672 /nfs/dbraw/zinc/26/66/72/304266672.db2.gz OWVGPILQSPQLSK-INIZCTEOSA-N 1 3 344.463 1.829 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330732 306537602 /nfs/dbraw/zinc/53/76/02/306537602.db2.gz JJKBQMMIIKSYNW-DLBZAZTESA-N 1 3 342.447 1.381 20 0 EDADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOCCN(C)C ZINC000471643165 255015509 /nfs/dbraw/zinc/01/55/09/255015509.db2.gz GVGJXILNIPYTCT-MRXNPFEDSA-N 1 3 328.501 1.374 20 0 EDADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCOCCN(C)C ZINC000471643165 255015511 /nfs/dbraw/zinc/01/55/11/255015511.db2.gz GVGJXILNIPYTCT-MRXNPFEDSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCC[C@@H](C)C1 ZINC000496130392 255356513 /nfs/dbraw/zinc/35/65/13/255356513.db2.gz SXWWROCTJMJGRI-ZIAGYGMSSA-N 1 3 341.500 1.745 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875389 285335638 /nfs/dbraw/zinc/33/56/38/285335638.db2.gz VZRIYEAKSCRXFV-QZTJIDSGSA-N 1 3 338.540 1.639 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000415908960 304284954 /nfs/dbraw/zinc/28/49/54/304284954.db2.gz FGQMVBXWBXNSTQ-MRXNPFEDSA-N 1 3 334.464 1.981 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000571400922 306564420 /nfs/dbraw/zinc/56/44/20/306564420.db2.gz FSOLJRAURIQKDT-IUODEOHRSA-N 1 3 325.403 1.853 20 0 EDADHO C[NH+](C)C(C)(C)CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000270939529 140203620 /nfs/dbraw/zinc/20/36/20/140203620.db2.gz ZQCNTOIOFVHAQH-UHFFFAOYSA-N 1 3 347.503 1.961 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271806895 140353351 /nfs/dbraw/zinc/35/33/51/140353351.db2.gz YJHQGSUDPVZBDA-DZGCQCFKSA-N 1 3 343.493 1.341 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000333125501 141268174 /nfs/dbraw/zinc/26/81/74/141268174.db2.gz AZYTUHNIJQFYBV-HUUCEWRRSA-N 1 3 340.537 1.727 20 0 EDADHO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333269947 141290553 /nfs/dbraw/zinc/29/05/53/141290553.db2.gz KHFGPOLUOGVWMP-IXDOHACOSA-N 1 3 343.537 1.558 20 0 EDADHO [NH3+][C@H]1CCc2ncc(NC(=O)N3CC[C@@H](N4CCCCC4)C3)cc2C1 ZINC000333312111 141297394 /nfs/dbraw/zinc/29/73/94/141297394.db2.gz LULRBVLBYSHGCK-DOTOQJQBSA-N 1 3 343.475 1.990 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000336878910 141474002 /nfs/dbraw/zinc/47/40/02/141474002.db2.gz JSDHFRJUYROVNU-HNNXBMFYSA-N 1 3 330.476 1.931 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343766711 142886398 /nfs/dbraw/zinc/88/63/98/142886398.db2.gz KKMHVEWGPTYELU-DQIHPLBOSA-N 1 3 349.519 1.674 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196929 /nfs/dbraw/zinc/19/69/29/143196929.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196930 /nfs/dbraw/zinc/19/69/30/143196930.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000346364789 143196965 /nfs/dbraw/zinc/19/69/65/143196965.db2.gz GEUOSYFTESVHFO-YLFCFFPRSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000346364789 143196966 /nfs/dbraw/zinc/19/69/66/143196966.db2.gz GEUOSYFTESVHFO-YLFCFFPRSA-N 1 3 325.497 1.722 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030330 143273959 /nfs/dbraw/zinc/27/39/59/143273959.db2.gz XTDIDXFUYZIXQC-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO CCOc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347157081 143288834 /nfs/dbraw/zinc/28/88/34/143288834.db2.gz FDUFPEIATCFJSR-OAHLLOKOSA-N 1 3 335.448 1.381 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417550382 292168711 /nfs/dbraw/zinc/16/87/11/292168711.db2.gz VCVQVZOHWYJULA-AWEZNQCLSA-N 1 3 328.501 1.693 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000416844149 304351102 /nfs/dbraw/zinc/35/11/02/304351102.db2.gz POFABSLADJZLPW-FGTMMUONSA-N 1 3 330.476 1.930 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416843315 304351163 /nfs/dbraw/zinc/35/11/63/304351163.db2.gz OKUAVWLGDZNIKZ-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO Cc1cccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000352785504 149164506 /nfs/dbraw/zinc/16/45/06/149164506.db2.gz ZPYYBPNPQVBMPB-QGZVFWFLSA-N 1 3 332.492 1.891 20 0 EDADHO CC1CCN(C[C@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307861 149359654 /nfs/dbraw/zinc/35/96/54/149359654.db2.gz LTBKBSHQFNZFJV-HXUWFJFHSA-N 1 3 346.519 1.728 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307861 149359655 /nfs/dbraw/zinc/35/96/55/149359655.db2.gz LTBKBSHQFNZFJV-HXUWFJFHSA-N 1 3 346.519 1.728 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000416980899 304360809 /nfs/dbraw/zinc/36/08/09/304360809.db2.gz ZFQJIFZGRVNFNC-OAHLLOKOSA-N 1 3 348.491 1.896 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417034004 304363579 /nfs/dbraw/zinc/36/35/79/304363579.db2.gz RPFYFPZKOKPCMR-RBUKOAKNSA-N 1 3 342.487 1.828 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)NCCNc2ccncc2)([NH+](C)C)C1 ZINC000356235546 150563035 /nfs/dbraw/zinc/56/30/35/150563035.db2.gz XQLMLEDYAASWLJ-CRAIPNDOSA-N 1 3 333.480 1.725 20 0 EDADHO CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357543830 151062639 /nfs/dbraw/zinc/06/26/39/151062639.db2.gz NHULEJGEWFXEIX-INIZCTEOSA-N 1 3 339.505 1.853 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000358059256 151251595 /nfs/dbraw/zinc/25/15/95/151251595.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 1 3 333.476 1.715 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000358059256 151251598 /nfs/dbraw/zinc/25/15/98/151251598.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 1 3 333.476 1.715 20 0 EDADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417090996 304371747 /nfs/dbraw/zinc/37/17/47/304371747.db2.gz ZVEZOWYOSMTXFA-WMLDXEAASA-N 1 3 330.476 1.954 20 0 EDADHO CSC1(CNC(=O)N2CCN3CCC2CC3)CC[NH+](C)CC1 ZINC000358415910 151367830 /nfs/dbraw/zinc/36/78/30/151367830.db2.gz SVDRYONAFAVYRO-UHFFFAOYSA-N 1 3 326.510 1.303 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509090 151399627 /nfs/dbraw/zinc/39/96/27/151399627.db2.gz MRHVDJZDTLVDIY-QGZVFWFLSA-N 1 3 345.487 1.954 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000417112575 304373383 /nfs/dbraw/zinc/37/33/83/304373383.db2.gz MKPYCEWHOWHBTO-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO COc1ccc(CNC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000360572034 152102232 /nfs/dbraw/zinc/10/22/32/152102232.db2.gz ISKJODPDTKJXRN-CABCVRRESA-N 1 3 348.447 1.181 20 0 EDADHO OCCOC1(CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000370181541 155366330 /nfs/dbraw/zinc/36/63/30/155366330.db2.gz GWUSFSNPKWXRDF-UHFFFAOYSA-N 1 3 340.508 1.931 20 0 EDADHO OCCOC1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000370181541 155366332 /nfs/dbraw/zinc/36/63/32/155366332.db2.gz GWUSFSNPKWXRDF-UHFFFAOYSA-N 1 3 340.508 1.931 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417194155 304383214 /nfs/dbraw/zinc/38/32/14/304383214.db2.gz MDPVJUAPNSEBCS-KRWDZBQOSA-N 1 3 332.492 1.848 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734810 153318987 /nfs/dbraw/zinc/31/89/87/153318987.db2.gz LGKBTGKAIRVLKG-PASDCYSWSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734810 153318988 /nfs/dbraw/zinc/31/89/88/153318988.db2.gz LGKBTGKAIRVLKG-PASDCYSWSA-N 1 3 337.508 1.756 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417371884 304395126 /nfs/dbraw/zinc/39/51/26/304395126.db2.gz WJJAOLBUGLZNAZ-GDBMZVCRSA-N 1 3 334.464 1.554 20 0 EDADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000369392793 155011542 /nfs/dbraw/zinc/01/15/42/155011542.db2.gz BJWCSQAEVFOEER-BRWVUGGUSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000417530951 304403725 /nfs/dbraw/zinc/40/37/25/304403725.db2.gz SWVHZZBQZDZUIG-SJLPKXTDSA-N 1 3 348.491 1.596 20 0 EDADHO C[C@H](O)COC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373860783 157036858 /nfs/dbraw/zinc/03/68/58/157036858.db2.gz VFNOLFKATNUROB-JYJNAYRXSA-N 1 3 342.480 1.122 20 0 EDADHO CC1CC[NH+](CC2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)CC1 ZINC000374516948 157315351 /nfs/dbraw/zinc/31/53/51/157315351.db2.gz AOJJWNIKKPPOCT-SFHVURJKSA-N 1 3 337.508 1.711 20 0 EDADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000375063975 157485752 /nfs/dbraw/zinc/48/57/52/157485752.db2.gz HOLIZHVBKLNJHD-GJZGRUSLSA-N 1 3 327.444 1.180 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378201372 158108077 /nfs/dbraw/zinc/10/80/77/158108077.db2.gz ISEMRIPERCNILY-GOSISDBHSA-N 1 3 334.439 1.464 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423732025 304906801 /nfs/dbraw/zinc/90/68/01/304906801.db2.gz SESMYCJRGSJGIO-AJNGGQMLSA-N 1 3 325.453 1.131 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000417926665 304432570 /nfs/dbraw/zinc/43/25/70/304432570.db2.gz DULJRKRJIGLSKL-WMLDXEAASA-N 1 3 333.480 1.890 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC[C@H](O)C3)CC2)CC1 ZINC000352252588 162074474 /nfs/dbraw/zinc/07/44/74/162074474.db2.gz FLCVBIGGVZEPJM-YOEHRIQHSA-N 1 3 338.496 1.005 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000360668114 162297130 /nfs/dbraw/zinc/29/71/30/162297130.db2.gz DLZICPRCQQEXAB-NVXWUHKLSA-N 1 3 342.553 1.843 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694746 287008672 /nfs/dbraw/zinc/00/86/72/287008672.db2.gz DTTRTOCNMIHYJB-MRXNPFEDSA-N 1 3 340.512 1.790 20 0 EDADHO CC[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418328538 304480627 /nfs/dbraw/zinc/48/06/27/304480627.db2.gz SNWXKVWKCHZLHH-UHFFFAOYSA-N 1 3 328.407 1.648 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665762510 452340385 /nfs/dbraw/zinc/34/03/85/452340385.db2.gz GWTJRWULESZNLZ-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665762510 452340398 /nfs/dbraw/zinc/34/03/98/452340398.db2.gz GWTJRWULESZNLZ-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000418433278 304495424 /nfs/dbraw/zinc/49/54/24/304495424.db2.gz CVICJNZSDCQDFY-PMPSAXMXSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC([C@H](C)CO)CC1 ZINC000665764048 452347396 /nfs/dbraw/zinc/34/73/96/452347396.db2.gz SGKFMNBOFYYWHF-CVEARBPZSA-N 1 3 342.528 1.308 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000418470463 304499462 /nfs/dbraw/zinc/49/94/62/304499462.db2.gz UYMAOZHPUJEBOX-MAUKXSAKSA-N 1 3 348.491 1.959 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]1(N)CCN(C)C1 ZINC000649290794 451965663 /nfs/dbraw/zinc/96/56/63/451965663.db2.gz SWIBNKDAAYVINK-IBGZPJMESA-N 1 3 348.491 1.056 20 0 EDADHO Cc1c(C(=O)N[C@@H](C)CN2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000165032812 267519230 /nfs/dbraw/zinc/51/92/30/267519230.db2.gz HTBRWHAIBDZAOH-ZDUSSCGKSA-N 1 3 334.468 1.115 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000276319742 273159901 /nfs/dbraw/zinc/15/99/01/273159901.db2.gz WLKGHYMBWNLAHO-SFHVURJKSA-N 1 3 348.491 1.263 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000333251697 275031257 /nfs/dbraw/zinc/03/12/57/275031257.db2.gz GYCZXCYCDUJSRN-QLFBSQMISA-N 1 3 327.428 1.935 20 0 EDADHO CN(c1ncnc2c1CN(C)CC2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377669201 277004924 /nfs/dbraw/zinc/00/49/24/277004924.db2.gz OGABPKWPWHBEHY-INIZCTEOSA-N 1 3 344.507 1.069 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573072 277221203 /nfs/dbraw/zinc/22/12/03/277221203.db2.gz WJLMTKFGXFTCMF-CVEARBPZSA-N 1 3 326.485 1.304 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236660819 278551309 /nfs/dbraw/zinc/55/13/09/278551309.db2.gz CTORYYKPQJXBHK-FGTMMUONSA-N 1 3 331.460 1.299 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000457820276 279127664 /nfs/dbraw/zinc/12/76/64/279127664.db2.gz VFXPUAAOWRYVMQ-HZPDHXFCSA-N 1 3 328.501 1.109 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748402 279361347 /nfs/dbraw/zinc/36/13/47/279361347.db2.gz IDLTZWPCTPFMHN-BRWVUGGUSA-N 1 3 339.528 1.029 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367919600 280086272 /nfs/dbraw/zinc/08/62/72/280086272.db2.gz ZRXYTJWKGWUVHN-NXHRZFHOSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000345708525 288217679 /nfs/dbraw/zinc/21/76/79/288217679.db2.gz JHKIJTVFVITYIU-BPLDGKMQSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000345708525 288217684 /nfs/dbraw/zinc/21/76/84/288217684.db2.gz JHKIJTVFVITYIU-BPLDGKMQSA-N 1 3 325.403 1.996 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289690797 288760566 /nfs/dbraw/zinc/76/05/66/288760566.db2.gz KAXBMYIDVSGLKI-UHFFFAOYSA-N 1 3 349.519 1.967 20 0 EDADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@H](CN)OC)ccc1OC ZINC000290100152 288839442 /nfs/dbraw/zinc/83/94/42/288839442.db2.gz XNVYWFPNMBROQT-INIZCTEOSA-N 1 3 339.436 1.328 20 0 EDADHO C[NH+]1CCC(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000292081661 289256898 /nfs/dbraw/zinc/25/68/98/289256898.db2.gz HVEVEFMPLPJOFQ-IBGZPJMESA-N 1 3 345.487 1.254 20 0 EDADHO CN1CCC(O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495418508 289888746 /nfs/dbraw/zinc/88/87/46/289888746.db2.gz MGPBMPHKBDJMND-QGZVFWFLSA-N 1 3 341.496 1.680 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582137 290042029 /nfs/dbraw/zinc/04/20/29/290042029.db2.gz VRNJBLMJVYQJNS-RBUKOAKNSA-N 1 3 344.503 1.624 20 0 EDADHO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000182375179 293107497 /nfs/dbraw/zinc/10/74/97/293107497.db2.gz RYHLYJIULNDQEO-CYBMUJFWSA-N 1 3 347.507 1.805 20 0 EDADHO C[C@@H](NC1(CNC(=O)C(=O)NCCC[NH3+])CCCC1)c1ccccc1 ZINC000418870415 304542055 /nfs/dbraw/zinc/54/20/55/304542055.db2.gz UBLUBILBKDVGMM-OAHLLOKOSA-N 1 3 346.475 1.231 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2c(s1)CCNC2 ZINC000662535507 453259338 /nfs/dbraw/zinc/25/93/38/453259338.db2.gz GNYAXKGKEGPKMO-CYBMUJFWSA-N 1 3 325.478 1.480 20 0 EDADHO CC[NH2+]CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000414751865 447321312 /nfs/dbraw/zinc/32/13/12/447321312.db2.gz NYHPVFHIZCFRSE-UHFFFAOYSA-N 1 3 333.480 1.868 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000296248803 303304993 /nfs/dbraw/zinc/30/49/93/303304993.db2.gz CVULMJYIIOLBDL-KRWDZBQOSA-N 1 3 344.503 1.846 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)CN)CC2)cc1 ZINC000414879034 447340416 /nfs/dbraw/zinc/34/04/16/447340416.db2.gz OUDIIQOKBAAQFB-AWEZNQCLSA-N 1 3 325.478 1.333 20 0 EDADHO C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1ccc(OCCN(C)C)cc1 ZINC000421873620 304816642 /nfs/dbraw/zinc/81/66/42/304816642.db2.gz HVNZWHZASFYQAD-GOEBONIOSA-N 1 3 344.463 1.669 20 0 EDADHO O=C(c1ccccc1)N1C[C@H](CN[C@@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997971 304882707 /nfs/dbraw/zinc/88/27/07/304882707.db2.gz VUJMAFPESUACJE-QYZOEREBSA-N 1 3 342.487 1.317 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000433340713 305106227 /nfs/dbraw/zinc/10/62/27/305106227.db2.gz CQIDFEPLZGLPRL-MRXNPFEDSA-N 1 3 339.505 1.853 20 0 EDADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000434693655 305127872 /nfs/dbraw/zinc/12/78/72/305127872.db2.gz OBHCUOXDCULIET-DYVFJYSZSA-N 1 3 328.420 1.777 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000436300852 305155604 /nfs/dbraw/zinc/15/56/04/305155604.db2.gz LFWKPTXNNVGVGW-HLLBOEOZSA-N 1 3 333.476 1.672 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549615 305186985 /nfs/dbraw/zinc/18/69/85/305186985.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549615 305186986 /nfs/dbraw/zinc/18/69/86/305186986.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549617 305187060 /nfs/dbraw/zinc/18/70/60/305187060.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549617 305187061 /nfs/dbraw/zinc/18/70/61/305187061.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 1 3 336.524 1.393 20 0 EDADHO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000441237226 305219415 /nfs/dbraw/zinc/21/94/15/305219415.db2.gz WGRMGYKJVQOHIH-BZSNNMDCSA-N 1 3 333.476 1.953 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443067854 305234382 /nfs/dbraw/zinc/23/43/82/305234382.db2.gz GYHXMUAUCORUIM-GOEBONIOSA-N 1 3 332.448 1.462 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000449354208 305312268 /nfs/dbraw/zinc/31/22/68/305312268.db2.gz LBLFKQGZNRPCCT-RDTXWAMCSA-N 1 3 349.450 1.641 20 0 EDADHO C[C@H]1CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[C@@H]1[NH3+] ZINC000514722025 305703176 /nfs/dbraw/zinc/70/31/76/305703176.db2.gz MRRXGRLMOALEKA-RSUZKEPVSA-N 1 3 348.413 1.780 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000519829900 305776379 /nfs/dbraw/zinc/77/63/79/305776379.db2.gz VITAEBAKXISOCV-KGLIPLIRSA-N 1 3 334.464 1.709 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N(C)C)C2)c1 ZINC000414940055 447365028 /nfs/dbraw/zinc/36/50/28/447365028.db2.gz GXAQITUEMVKHPL-CZUORRHYSA-N 1 3 332.448 1.143 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000547296106 306097821 /nfs/dbraw/zinc/09/78/21/306097821.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000547296106 306097822 /nfs/dbraw/zinc/09/78/22/306097822.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 1 3 338.496 1.005 20 0 EDADHO CN(C)[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000552157115 306176447 /nfs/dbraw/zinc/17/64/47/306176447.db2.gz DXASUHJLOINOSB-ROUUACIJSA-N 1 3 331.460 1.032 20 0 EDADHO C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000458438206 447368084 /nfs/dbraw/zinc/36/80/84/447368084.db2.gz LOZGFACUAJDIRI-INIZCTEOSA-N 1 3 341.544 1.290 20 0 EDADHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000414981750 447383486 /nfs/dbraw/zinc/38/34/86/447383486.db2.gz BYRQLEJUYNJMBN-QAPCUYQASA-N 1 3 335.423 1.571 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC2CCC([NH+](C)C)CC2)CCCO1 ZINC000422198725 447399594 /nfs/dbraw/zinc/39/95/94/447399594.db2.gz HJCIQPRJAMHICG-GTPINHCMSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415419220 447416541 /nfs/dbraw/zinc/41/65/41/447416541.db2.gz PTXZWZJPMYMVBJ-AWEZNQCLSA-N 1 3 332.448 1.069 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCCC1 ZINC000073243147 441304384 /nfs/dbraw/zinc/30/43/84/441304384.db2.gz OVQLSTFGWZABIH-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCCC1 ZINC000073243147 441304387 /nfs/dbraw/zinc/30/43/87/441304387.db2.gz OVQLSTFGWZABIH-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000073331807 441310067 /nfs/dbraw/zinc/31/00/67/441310067.db2.gz MQUVBWHVZJPCTR-KRWDZBQOSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000073331807 441310072 /nfs/dbraw/zinc/31/00/72/441310072.db2.gz MQUVBWHVZJPCTR-KRWDZBQOSA-N 1 3 344.503 1.798 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000074875979 441475477 /nfs/dbraw/zinc/47/54/77/441475477.db2.gz MMIDIRPNGMLXOY-SJORKVTESA-N 1 3 340.512 1.658 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000159343311 441804700 /nfs/dbraw/zinc/80/47/00/441804700.db2.gz NVMXYTRJLKJXMM-ICSRJNTNSA-N 1 3 330.520 1.734 20 0 EDADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000173613735 441804905 /nfs/dbraw/zinc/80/49/05/441804905.db2.gz VVULKUMEHFOYIC-SNVBAGLBSA-N 1 3 338.374 1.225 20 0 EDADHO C[C@@H](CNC(=O)NC1CCN(CCN(C)C)CC1)C[NH+]1CCCC1 ZINC000121931836 441814064 /nfs/dbraw/zinc/81/40/64/441814064.db2.gz IZBGTAHTHSLCMV-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CN(CCCN1CCN(C)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000174724025 441959469 /nfs/dbraw/zinc/95/94/69/441959469.db2.gz ACVFLLDTEMKQJM-UHFFFAOYSA-N 1 3 337.439 1.762 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000174724025 441959475 /nfs/dbraw/zinc/95/94/75/441959475.db2.gz ACVFLLDTEMKQJM-UHFFFAOYSA-N 1 3 337.439 1.762 20 0 EDADHO COc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCN(C)CC2)cc1 ZINC000174719106 441959849 /nfs/dbraw/zinc/95/98/49/441959849.db2.gz VOWMKOGORVAMLX-MRXNPFEDSA-N 1 3 348.491 1.592 20 0 EDADHO COc1cccc(COC[C@@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000162797404 442123714 /nfs/dbraw/zinc/12/37/14/442123714.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000162797404 442123719 /nfs/dbraw/zinc/12/37/19/442123719.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000162797404 442123723 /nfs/dbraw/zinc/12/37/23/442123723.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1 ZINC000162797404 442123729 /nfs/dbraw/zinc/12/37/29/442123729.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 1 3 348.487 1.989 20 0 EDADHO CS(=O)(=O)NCCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000121223378 442193662 /nfs/dbraw/zinc/19/36/62/442193662.db2.gz MFRLMNXSTKTDMH-UHFFFAOYSA-N 1 3 331.526 1.560 20 0 EDADHO CS(=O)(=O)NCCCNC1CC[NH+](CC2CCCCC2)CC1 ZINC000121223378 442193666 /nfs/dbraw/zinc/19/36/66/442193666.db2.gz MFRLMNXSTKTDMH-UHFFFAOYSA-N 1 3 331.526 1.560 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127471769 442205532 /nfs/dbraw/zinc/20/55/32/442205532.db2.gz FKZIZQXXKWTYLQ-QRVBRYPASA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127471769 442205535 /nfs/dbraw/zinc/20/55/35/442205535.db2.gz FKZIZQXXKWTYLQ-QRVBRYPASA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127471769 442205536 /nfs/dbraw/zinc/20/55/36/442205536.db2.gz FKZIZQXXKWTYLQ-QRVBRYPASA-N 1 3 340.556 1.349 20 0 EDADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)CC2 ZINC000128017922 442240159 /nfs/dbraw/zinc/24/01/59/442240159.db2.gz GNQNCAYRXXEITL-YJBOKZPZSA-N 1 3 331.460 1.860 20 0 EDADHO CC(C)(C)OC(=O)NCCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000176955713 442277227 /nfs/dbraw/zinc/27/72/27/442277227.db2.gz FLPHIBDDJLUGQK-UHFFFAOYSA-N 1 3 327.469 1.555 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N(C)C ZINC000154305705 442331413 /nfs/dbraw/zinc/33/14/13/442331413.db2.gz ORHMLFJGNQOKET-WFFDWFOESA-N 1 3 336.524 1.342 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N(C)C ZINC000154305705 442331418 /nfs/dbraw/zinc/33/14/18/442331418.db2.gz ORHMLFJGNQOKET-WFFDWFOESA-N 1 3 336.524 1.342 20 0 EDADHO CCNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177481827 442347945 /nfs/dbraw/zinc/34/79/45/442347945.db2.gz ATVIFJZCPRFLCG-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788603 442357328 /nfs/dbraw/zinc/35/73/28/442357328.db2.gz FYBSIZMWMOUNKF-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788504 442357374 /nfs/dbraw/zinc/35/73/74/442357374.db2.gz FYBSIZMWMOUNKF-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000156727552 442514455 /nfs/dbraw/zinc/51/44/55/442514455.db2.gz ISFWOMGXMOSCTI-SJORKVTESA-N 1 3 335.492 1.998 20 0 EDADHO COCCOC[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192748219 442683070 /nfs/dbraw/zinc/68/30/70/442683070.db2.gz ZNXZPEHZRPMGHC-GOSISDBHSA-N 1 3 327.513 1.387 20 0 EDADHO COCCOC[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192748219 442683073 /nfs/dbraw/zinc/68/30/73/442683073.db2.gz ZNXZPEHZRPMGHC-GOSISDBHSA-N 1 3 327.513 1.387 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2cnc[nH]2)CC1 ZINC000193385310 442738027 /nfs/dbraw/zinc/73/80/27/442738027.db2.gz HWGFPGFZPNQCSX-UHFFFAOYSA-N 1 3 333.480 1.614 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442760004 /nfs/dbraw/zinc/76/00/04/442760004.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@H+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442760005 /nfs/dbraw/zinc/76/00/05/442760005.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(CN2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442760008 /nfs/dbraw/zinc/76/00/08/442760008.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(CN2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442760009 /nfs/dbraw/zinc/76/00/09/442760009.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 1 3 340.508 1.474 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCOC[C@H]2C)[C@H](C)C1 ZINC000247135917 442836863 /nfs/dbraw/zinc/83/68/63/442836863.db2.gz VWNCHKCPPCWXAK-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCOC[C@H]2C)[C@H](C)C1 ZINC000247135917 442836868 /nfs/dbraw/zinc/83/68/68/442836868.db2.gz VWNCHKCPPCWXAK-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCOC(F)F)CC2)CC1 ZINC000194227502 442863498 /nfs/dbraw/zinc/86/34/98/442863498.db2.gz YNSMGBWWANGQCO-UHFFFAOYSA-N 1 3 348.438 1.474 20 0 EDADHO COC(=O)c1ccc(CN(C)CCC[NH+]2CCN(C)CC2)s1 ZINC000182953457 442853301 /nfs/dbraw/zinc/85/33/01/442853301.db2.gz NYZQCFOMTXDGBG-UHFFFAOYSA-N 1 3 325.478 1.604 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000184962750 443107682 /nfs/dbraw/zinc/10/76/82/443107682.db2.gz OODJLGCARGKICW-RBUKOAKNSA-N 1 3 344.503 1.576 20 0 EDADHO [NH3+][C@H]1CC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000185028499 443121001 /nfs/dbraw/zinc/12/10/01/443121001.db2.gz DOYIFIUMSHGQJM-UHOSZYNNSA-N 1 3 342.487 1.394 20 0 EDADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000268988901 443167188 /nfs/dbraw/zinc/16/71/88/443167188.db2.gz MCPOWOZIKYUBCA-GFCCVEGCSA-N 1 3 340.855 1.498 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261767118 443169150 /nfs/dbraw/zinc/16/91/50/443169150.db2.gz FNOHOKVWEDUGPA-UXLLHSPISA-N 1 3 325.497 1.615 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261767118 443169152 /nfs/dbraw/zinc/16/91/52/443169152.db2.gz FNOHOKVWEDUGPA-UXLLHSPISA-N 1 3 325.497 1.615 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281631 443176394 /nfs/dbraw/zinc/17/63/94/443176394.db2.gz PQLDJJMPRHGDDD-PBHICJAKSA-N 1 3 336.455 1.877 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000266611134 443185664 /nfs/dbraw/zinc/18/56/64/443185664.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 1 3 336.480 1.386 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000266611134 443185668 /nfs/dbraw/zinc/18/56/68/443185668.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 1 3 336.480 1.386 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000269081647 443192074 /nfs/dbraw/zinc/19/20/74/443192074.db2.gz ZSURMSJKPGDZCN-AWEZNQCLSA-N 1 3 333.432 1.751 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238133783 443195579 /nfs/dbraw/zinc/19/55/79/443195579.db2.gz RMIBCCBPVZSCJE-OAHLLOKOSA-N 1 3 346.479 1.197 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000269109472 443200379 /nfs/dbraw/zinc/20/03/79/443200379.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CC[N@H+]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000269109472 443200384 /nfs/dbraw/zinc/20/03/84/443200384.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000269247960 443249401 /nfs/dbraw/zinc/24/94/01/443249401.db2.gz VYVBNPCAXNYHFA-SFHVURJKSA-N 1 3 331.460 1.667 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692707 319343387 /nfs/dbraw/zinc/34/33/87/319343387.db2.gz KWRDEEQFKNCXQR-VQIMIIECSA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692707 319343389 /nfs/dbraw/zinc/34/33/89/319343389.db2.gz KWRDEEQFKNCXQR-VQIMIIECSA-N 1 3 345.487 1.556 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415852998 319377975 /nfs/dbraw/zinc/37/79/75/319377975.db2.gz SFCLDTWJJICXTP-BBRMVZONSA-N 1 3 346.475 1.438 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000185810012 443261980 /nfs/dbraw/zinc/26/19/80/443261980.db2.gz GHXWATWAXYEQOC-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO COc1ccc(NC(=O)CC[NH+]2CCC(N(C)CCO)CC2)cc1 ZINC000264359345 443262063 /nfs/dbraw/zinc/26/20/63/443262063.db2.gz JKAURZLYAPUUOU-UHFFFAOYSA-N 1 3 335.448 1.412 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000416825410 319463618 /nfs/dbraw/zinc/46/36/18/319463618.db2.gz AXPUFJYDVWVSOZ-HKUYNNGSSA-N 1 3 332.492 1.848 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416855247 319467486 /nfs/dbraw/zinc/46/74/86/319467486.db2.gz VVERUVADJMNCSO-SQNIBIBYSA-N 1 3 330.476 1.553 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417369511 319494838 /nfs/dbraw/zinc/49/48/38/319494838.db2.gz SGHWOXHDLMODEB-NVXWUHKLSA-N 1 3 348.491 1.944 20 0 EDADHO COC[C@@H](CCC[NH3+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932363 319738947 /nfs/dbraw/zinc/73/89/47/319738947.db2.gz FPWBUSNTSSZQDZ-CYBMUJFWSA-N 1 3 334.869 1.457 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279061193 443505366 /nfs/dbraw/zinc/50/53/66/443505366.db2.gz SHZFFJOPSFNDHL-AWEZNQCLSA-N 1 3 327.432 1.478 20 0 EDADHO FC(F)(F)[C@@H](CN[C@H]1CCc2ccccc2OC1)N1CC[NH2+]CC1 ZINC000423397803 319771273 /nfs/dbraw/zinc/77/12/73/319771273.db2.gz VARWETHCKMGIIZ-GOEBONIOSA-N 1 3 343.393 1.806 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453644333 320266456 /nfs/dbraw/zinc/26/64/56/320266456.db2.gz MHXCTBMUYXBMBR-MRXNPFEDSA-N 1 3 332.448 1.242 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000457472871 320327180 /nfs/dbraw/zinc/32/71/80/320327180.db2.gz XWARRJKRLHQGQC-INIZCTEOSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711511 320339239 /nfs/dbraw/zinc/33/92/39/320339239.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711511 320339240 /nfs/dbraw/zinc/33/92/40/320339240.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc12 ZINC000530248377 320617941 /nfs/dbraw/zinc/61/79/41/320617941.db2.gz KJWPUIDUDVFDBQ-KRWDZBQOSA-N 1 3 343.475 1.867 20 0 EDADHO COc1nnccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000288851712 443998350 /nfs/dbraw/zinc/99/83/50/443998350.db2.gz IQRJQOSHCSUDQS-UHFFFAOYSA-N 1 3 348.451 1.165 20 0 EDADHO CCC[NH+]1CCC(Nc2nc(NCC)nc(NC(C)(C)C)n2)CC1 ZINC000561105184 321032781 /nfs/dbraw/zinc/03/27/81/321032781.db2.gz LJBCQYYJKWKIOD-UHFFFAOYSA-N 1 3 335.500 1.644 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000563093298 321094801 /nfs/dbraw/zinc/09/48/01/321094801.db2.gz ZUYQUBSSUITHFU-YOEHRIQHSA-N 1 3 333.480 1.610 20 0 EDADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1=CCN(C)CC1 ZINC000563093527 321095148 /nfs/dbraw/zinc/09/51/48/321095148.db2.gz SUGKTPCTNZGMHI-KBXCAEBGSA-N 1 3 328.460 1.905 20 0 EDADHO CC[N@H+](C)C[C@@H](O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314123 /nfs/dbraw/zinc/31/41/23/321314123.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 1 3 325.419 1.648 20 0 EDADHO CC[N@@H+](C)C[C@@H](O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998560 321314124 /nfs/dbraw/zinc/31/41/24/321314124.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 1 3 325.419 1.648 20 0 EDADHO C[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028718 321334671 /nfs/dbraw/zinc/33/46/71/321334671.db2.gz KSJUXYVTUWDXGV-PKOBYXMFSA-N 1 3 330.476 1.950 20 0 EDADHO CC[C@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135911 321373580 /nfs/dbraw/zinc/37/35/80/321373580.db2.gz RMLKOGVVLWDKGA-QZTJIDSGSA-N 1 3 338.540 1.734 20 0 EDADHO [NH3+]C[C@H](NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000571670796 321396305 /nfs/dbraw/zinc/39/63/05/321396305.db2.gz PJAIYZGVNRGISC-OKZBNKHCSA-N 1 3 328.460 1.640 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000289822610 444207549 /nfs/dbraw/zinc/20/75/49/444207549.db2.gz CYGXJKCRUSEXDY-RBUKOAKNSA-N 1 3 344.503 1.935 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000577769409 321681724 /nfs/dbraw/zinc/68/17/24/321681724.db2.gz KHLIPWPCSGFBCY-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](NC(=O)COC1(C)CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426397 444291713 /nfs/dbraw/zinc/29/17/13/444291713.db2.gz PDONYXNHBNXGQC-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H](NC(=O)COC1(C)CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426397 444291716 /nfs/dbraw/zinc/29/17/16/444291716.db2.gz PDONYXNHBNXGQC-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H](N(C)C)C1)CC(C)C ZINC000340000267 444351656 /nfs/dbraw/zinc/35/16/56/444351656.db2.gz ICOSGKFHNUEDOO-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)CCN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000298070751 444405205 /nfs/dbraw/zinc/40/52/05/444405205.db2.gz KACBLOLNJBBVMV-UHFFFAOYSA-N 1 3 344.503 1.602 20 0 EDADHO O=C(Nc1ccccc1)NC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579354708 321924989 /nfs/dbraw/zinc/92/49/89/321924989.db2.gz JONOTAVWPXYNTE-UHFFFAOYSA-N 1 3 331.464 1.178 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000580960706 322118469 /nfs/dbraw/zinc/11/84/69/322118469.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000580960706 322118472 /nfs/dbraw/zinc/11/84/72/322118472.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 1 3 336.524 1.345 20 0 EDADHO c1ccc(-c2noc(C3CCN(CCN4CC[NH2+]CC4)CC3)n2)nc1 ZINC000581432408 322177305 /nfs/dbraw/zinc/17/73/05/322177305.db2.gz VUEZTLPKHJXVMF-UHFFFAOYSA-N 1 3 342.447 1.216 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000340898827 444564981 /nfs/dbraw/zinc/56/49/81/444564981.db2.gz PMHKGAFJXYBHAU-SJLPKXTDSA-N 1 3 334.508 1.288 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000340898827 444564985 /nfs/dbraw/zinc/56/49/85/444564985.db2.gz PMHKGAFJXYBHAU-SJLPKXTDSA-N 1 3 334.508 1.288 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000343766232 444575470 /nfs/dbraw/zinc/57/54/70/444575470.db2.gz DOBBMQVEEYFTOD-GOOCMWNKSA-N 1 3 345.443 1.380 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000340949139 444591414 /nfs/dbraw/zinc/59/14/14/444591414.db2.gz CRCAVIURFBNEHT-WBVHZDCISA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000340949139 444591418 /nfs/dbraw/zinc/59/14/18/444591418.db2.gz CRCAVIURFBNEHT-WBVHZDCISA-N 1 3 348.491 1.909 20 0 EDADHO CC[NH+](CC)CC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338264084 444596754 /nfs/dbraw/zinc/59/67/54/444596754.db2.gz VMYSZAJQKNXQSY-INIZCTEOSA-N 1 3 331.526 1.322 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@H]2C1 ZINC000333322049 444657637 /nfs/dbraw/zinc/65/76/37/444657637.db2.gz NDOZBGJOHVLCDN-CJNGLKHVSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@H]2C1 ZINC000333322049 444657639 /nfs/dbraw/zinc/65/76/39/444657639.db2.gz NDOZBGJOHVLCDN-CJNGLKHVSA-N 1 3 330.432 1.727 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000341096200 444672353 /nfs/dbraw/zinc/67/23/53/444672353.db2.gz AJOZTLOXHOWAJY-KRWDZBQOSA-N 1 3 348.491 1.287 20 0 EDADHO COCC[NH+]1CCC(N[C@@H]2CCO[C@@H]2c2ccnn2C(C)C)CC1 ZINC000344248762 444861964 /nfs/dbraw/zinc/86/19/64/444861964.db2.gz GEUQOFHPXHFFSE-AEFFLSMTSA-N 1 3 336.480 1.994 20 0 EDADHO CN1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000337183816 444976723 /nfs/dbraw/zinc/97/67/23/444976723.db2.gz NKFDWLDJLIPSPP-UHFFFAOYSA-N 1 3 334.464 1.474 20 0 EDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NCCF ZINC000337377380 445054086 /nfs/dbraw/zinc/05/40/86/445054086.db2.gz HISFOKKWBWKVDD-LEUOFYLZSA-N 1 3 333.451 1.961 20 0 EDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)NCCF ZINC000337377382 445054820 /nfs/dbraw/zinc/05/48/20/445054820.db2.gz HISFOKKWBWKVDD-XOYOTBSWSA-N 1 3 333.451 1.961 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446767 445224514 /nfs/dbraw/zinc/22/45/14/445224514.db2.gz MCOTXIHVZMKZAD-RHSMWYFYSA-N 1 3 334.439 1.849 20 0 EDADHO CCOC(=O)[C@](C)(O)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348330920 445259035 /nfs/dbraw/zinc/25/90/35/445259035.db2.gz ZEAXUTKXXGFDQJ-ZHALLVOQSA-N 1 3 332.444 1.364 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029262 445262747 /nfs/dbraw/zinc/26/27/47/445262747.db2.gz RJUOZEQBQVTCLQ-ROUUACIJSA-N 1 3 337.508 1.819 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000348121252 445279884 /nfs/dbraw/zinc/27/98/84/445279884.db2.gz BYJDWCXPWNHZOU-YLFCFFPRSA-N 1 3 338.496 1.364 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884990 445355036 /nfs/dbraw/zinc/35/50/36/445355036.db2.gz CLERIEVWKYOWEW-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000359742456 445402648 /nfs/dbraw/zinc/40/26/48/445402648.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000359742456 445402651 /nfs/dbraw/zinc/40/26/51/445402651.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802706 445556724 /nfs/dbraw/zinc/55/67/24/445556724.db2.gz VEMCCYRFPPTKFZ-GDBMZVCRSA-N 1 3 331.464 1.554 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+](C)CCC(=O)NC)CC1 ZINC000353439725 445603251 /nfs/dbraw/zinc/60/32/51/445603251.db2.gz INGNDFRCADCQOG-UHFFFAOYSA-N 1 3 332.492 1.787 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+](C)CCC(=O)NC)CC1 ZINC000353439725 445603257 /nfs/dbraw/zinc/60/32/57/445603257.db2.gz INGNDFRCADCQOG-UHFFFAOYSA-N 1 3 332.492 1.787 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353449649 445606963 /nfs/dbraw/zinc/60/69/63/445606963.db2.gz OCESQCDNXAZUQH-LMSBXDPUSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358504839 445623341 /nfs/dbraw/zinc/62/33/41/445623341.db2.gz ITLWWARFOMCZMM-LSDHHAIUSA-N 1 3 336.480 1.466 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660465 445638397 /nfs/dbraw/zinc/63/83/97/445638397.db2.gz BZBLLKIPJVKATB-MSOLQXFVSA-N 1 3 348.491 1.179 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)CN2CCCCC2)[C@@H](C)C1 ZINC000360236078 445646947 /nfs/dbraw/zinc/64/69/47/445646947.db2.gz ZBZIAIJMBKVKRK-OTWHNJEPSA-N 1 3 341.540 1.560 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000360259773 445663137 /nfs/dbraw/zinc/66/31/37/445663137.db2.gz ZJCYMCGJOKIWIN-CZUORRHYSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000360259773 445663141 /nfs/dbraw/zinc/66/31/41/445663141.db2.gz ZJCYMCGJOKIWIN-CZUORRHYSA-N 1 3 326.510 1.207 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000349934199 445726318 /nfs/dbraw/zinc/72/63/18/445726318.db2.gz MTFZQLJPPLCXTE-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742690 445730739 /nfs/dbraw/zinc/73/07/39/445730739.db2.gz ADLBRACKZFNQOV-HLLBOEOZSA-N 1 3 340.537 1.692 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742690 445730740 /nfs/dbraw/zinc/73/07/40/445730740.db2.gz ADLBRACKZFNQOV-HLLBOEOZSA-N 1 3 340.537 1.692 20 0 EDADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107503 445749060 /nfs/dbraw/zinc/74/90/60/445749060.db2.gz PYZXMBVVCORLOE-DOTOQJQBSA-N 1 3 337.508 1.866 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000353780756 445752851 /nfs/dbraw/zinc/75/28/51/445752851.db2.gz VEHIXUUYIVEPBV-UHFFFAOYSA-N 1 3 342.443 1.897 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)N2CCC[C@H]2C)C1 ZINC000350180074 445787174 /nfs/dbraw/zinc/78/71/74/445787174.db2.gz CYAKIKNUTMGLSL-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)C(=O)COc1ccccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350217433 445794704 /nfs/dbraw/zinc/79/47/04/445794704.db2.gz IBSMJZLURJUFNP-UHFFFAOYSA-N 1 3 333.476 1.927 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846558 445807672 /nfs/dbraw/zinc/80/76/72/445807672.db2.gz KTOGAEATZCUESB-NVXWUHKLSA-N 1 3 325.497 1.412 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000350617239 445854961 /nfs/dbraw/zinc/85/49/61/445854961.db2.gz BLDKQRFAIFYWQR-GJZGRUSLSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000583811675 326144730 /nfs/dbraw/zinc/14/47/30/326144730.db2.gz PAJUQGGPZHBQFG-HZPDHXFCSA-N 1 3 334.468 1.163 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000583811675 326144732 /nfs/dbraw/zinc/14/47/32/326144732.db2.gz PAJUQGGPZHBQFG-HZPDHXFCSA-N 1 3 334.468 1.163 20 0 EDADHO CN1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000369652784 446139556 /nfs/dbraw/zinc/13/95/56/446139556.db2.gz FEELMRCDXCJMHD-ZBFHGGJFSA-N 1 3 346.479 1.850 20 0 EDADHO COCCCN1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000369660728 446140981 /nfs/dbraw/zinc/14/09/81/446140981.db2.gz LNAKATVIYOENNR-UHFFFAOYSA-N 1 3 342.528 1.859 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000359351313 446167773 /nfs/dbraw/zinc/16/77/73/446167773.db2.gz ZBHUDZZSFUQMQU-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000359351313 446167777 /nfs/dbraw/zinc/16/77/77/446167777.db2.gz ZBHUDZZSFUQMQU-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCN1C1CCN(C)CC1 ZINC000373424320 446212050 /nfs/dbraw/zinc/21/20/50/446212050.db2.gz ZPCPTHOVPOCFCQ-OAHLLOKOSA-N 1 3 330.476 1.386 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453635 446215850 /nfs/dbraw/zinc/21/58/50/446215850.db2.gz XVMDOGJHDRSECT-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453635 446215853 /nfs/dbraw/zinc/21/58/53/446215853.db2.gz XVMDOGJHDRSECT-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000373743226 446321057 /nfs/dbraw/zinc/32/10/57/446321057.db2.gz UULLSYIUTGLAIX-GOSISDBHSA-N 1 3 330.476 1.857 20 0 EDADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CN1 ZINC000417531872 446362656 /nfs/dbraw/zinc/36/26/56/446362656.db2.gz VDDHYMYGEZBMIQ-HZPDHXFCSA-N 1 3 348.491 1.561 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@@H]2C)[C@@H](C)C1 ZINC000417667720 446369392 /nfs/dbraw/zinc/36/93/92/446369392.db2.gz HJYNZUADLFSDCR-QAETUUGQSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@@H]2C)[C@@H](C)C1 ZINC000417667720 446369398 /nfs/dbraw/zinc/36/93/98/446369398.db2.gz HJYNZUADLFSDCR-QAETUUGQSA-N 1 3 340.512 1.515 20 0 EDADHO COC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCOCC1 ZINC000370685336 446387005 /nfs/dbraw/zinc/38/70/05/446387005.db2.gz ZWPKFXCUUYOOLC-FUHWJXTLSA-N 1 3 325.497 1.186 20 0 EDADHO C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)CN1CCN(C)CC1 ZINC000370770329 446428976 /nfs/dbraw/zinc/42/89/76/446428976.db2.gz CNZIYBIOROWKHT-MRXNPFEDSA-N 1 3 347.507 1.026 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2C[C@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161285 446442899 /nfs/dbraw/zinc/44/28/99/446442899.db2.gz IPLGKYWCLBNHRZ-RRFJBIMHSA-N 1 3 337.464 1.051 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000418155858 446443497 /nfs/dbraw/zinc/44/34/97/446443497.db2.gz ABYBRKIIVJXTIB-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H]1C ZINC000418004677 446412426 /nfs/dbraw/zinc/41/24/26/446412426.db2.gz ZVJATXFGTODJHH-MPGHIAIKSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1C ZINC000418004677 446412431 /nfs/dbraw/zinc/41/24/31/446412431.db2.gz ZVJATXFGTODJHH-MPGHIAIKSA-N 1 3 346.475 1.145 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420298431 446461526 /nfs/dbraw/zinc/46/15/26/446461526.db2.gz FHBVNGIISXEVBG-FHWLQOOXSA-N 1 3 345.487 1.156 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420298431 446461537 /nfs/dbraw/zinc/46/15/37/446461537.db2.gz FHBVNGIISXEVBG-FHWLQOOXSA-N 1 3 345.487 1.156 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420298431 446461550 /nfs/dbraw/zinc/46/15/50/446461550.db2.gz FHBVNGIISXEVBG-FHWLQOOXSA-N 1 3 345.487 1.156 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C ZINC000418279174 446481288 /nfs/dbraw/zinc/48/12/88/446481288.db2.gz OSAXZKIQHNEPTD-KRWDZBQOSA-N 1 3 333.480 1.687 20 0 EDADHO CCC[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000374931418 446465709 /nfs/dbraw/zinc/46/57/09/446465709.db2.gz IKFOOPRIQFOJPP-KRWDZBQOSA-N 1 3 338.540 1.593 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418278396 446481373 /nfs/dbraw/zinc/48/13/73/446481373.db2.gz LPASTPQIVPTJPT-HUUCEWRRSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423262958 446468482 /nfs/dbraw/zinc/46/84/82/446468482.db2.gz ACLIDKTWBQTQEF-NQBHXWOUSA-N 1 3 328.254 1.716 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423262958 446468490 /nfs/dbraw/zinc/46/84/90/446468490.db2.gz ACLIDKTWBQTQEF-NQBHXWOUSA-N 1 3 328.254 1.716 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474701 /nfs/dbraw/zinc/47/47/01/446474701.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 1 3 338.496 1.221 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474707 /nfs/dbraw/zinc/47/47/07/446474707.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000432508898 446477006 /nfs/dbraw/zinc/47/70/06/446477006.db2.gz HCEBLYFJVRZOMC-PKOBYXMFSA-N 1 3 344.503 1.703 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314389 446480486 /nfs/dbraw/zinc/48/04/86/446480486.db2.gz VSWFSJHRKWYEQF-IEBWSBKVSA-N 1 3 330.476 1.091 20 0 EDADHO COC[C@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000423313590 446484727 /nfs/dbraw/zinc/48/47/27/446484727.db2.gz WZIJFNQCERRXLE-PBHICJAKSA-N 1 3 337.489 1.627 20 0 EDADHO [NH3+]CCCn1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)nn1 ZINC000423332990 446490917 /nfs/dbraw/zinc/49/09/17/446490917.db2.gz PPNRWLFIUBVKNN-UHFFFAOYSA-N 1 3 342.447 1.865 20 0 EDADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[NH3+] ZINC000418302721 446491516 /nfs/dbraw/zinc/49/15/16/446491516.db2.gz MITREZZUWCXISZ-UHFFFAOYSA-N 1 3 332.370 1.737 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420325718 446493156 /nfs/dbraw/zinc/49/31/56/446493156.db2.gz BRTBWPPSICIZLN-MJBXVCDLSA-N 1 3 333.398 1.719 20 0 EDADHO COc1cccc(CN(C)C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331180 446501464 /nfs/dbraw/zinc/50/14/64/446501464.db2.gz BSHQIUVPENEEOG-ROUUACIJSA-N 1 3 345.487 1.975 20 0 EDADHO C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000423388645 446514211 /nfs/dbraw/zinc/51/42/11/446514211.db2.gz UIOMNGCNCFJCAW-YJBOKZPZSA-N 1 3 333.476 1.674 20 0 EDADHO CCC[NH2+]CCNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000418484952 446560863 /nfs/dbraw/zinc/56/08/63/446560863.db2.gz ZSZJARRNOXWOMN-KRWDZBQOSA-N 1 3 333.480 1.545 20 0 EDADHO COc1ccc(OCCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420385534 446561127 /nfs/dbraw/zinc/56/11/27/446561127.db2.gz SZIUDMMFVFOSCJ-INIZCTEOSA-N 1 3 345.447 1.851 20 0 EDADHO COc1ccc(OCCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420385534 446561130 /nfs/dbraw/zinc/56/11/30/446561130.db2.gz SZIUDMMFVFOSCJ-INIZCTEOSA-N 1 3 345.447 1.851 20 0 EDADHO C[C@H]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000420389441 446565279 /nfs/dbraw/zinc/56/52/79/446565279.db2.gz YJQNJKQFCVLSNV-GJZGRUSLSA-N 1 3 329.444 1.980 20 0 EDADHO C[C@H]1CC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CN ZINC000420389441 446565290 /nfs/dbraw/zinc/56/52/90/446565290.db2.gz YJQNJKQFCVLSNV-GJZGRUSLSA-N 1 3 329.444 1.980 20 0 EDADHO C[C@H]1CC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1CN ZINC000420389441 446565298 /nfs/dbraw/zinc/56/52/98/446565298.db2.gz YJQNJKQFCVLSNV-GJZGRUSLSA-N 1 3 329.444 1.980 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418388447 446524968 /nfs/dbraw/zinc/52/49/68/446524968.db2.gz VGCQQLWFYGSSQD-AWEZNQCLSA-N 1 3 340.418 1.790 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418402343 446530635 /nfs/dbraw/zinc/53/06/35/446530635.db2.gz ZDNYEBDWYOERMX-APWZRJJASA-N 1 3 348.491 1.120 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418415574 446535929 /nfs/dbraw/zinc/53/59/29/446535929.db2.gz NWEYKSCWYIEABU-IEBWSBKVSA-N 1 3 348.491 1.296 20 0 EDADHO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367313 446545461 /nfs/dbraw/zinc/54/54/61/446545461.db2.gz VJQGTUUBAXZIKB-KBPBESRZSA-N 1 3 325.478 1.717 20 0 EDADHO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1CCOCC[NH3+] ZINC000420368685 446547055 /nfs/dbraw/zinc/54/70/55/446547055.db2.gz IDEMEIHOCKYGES-QFBILLFUSA-N 1 3 334.508 1.898 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420379612 446556971 /nfs/dbraw/zinc/55/69/71/446556971.db2.gz XTDYZOKEJJHXRM-MRXNPFEDSA-N 1 3 332.448 1.611 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418516420 446576711 /nfs/dbraw/zinc/57/67/11/446576711.db2.gz ZRYZFZMZIVGUGQ-QGZVFWFLSA-N 1 3 348.491 1.528 20 0 EDADHO O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1CCN(C2CC2)CC1 ZINC000420406534 446579877 /nfs/dbraw/zinc/57/98/77/446579877.db2.gz UMXRSDJOKFKZNQ-CRAIPNDOSA-N 1 3 334.508 1.193 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000418553888 446591819 /nfs/dbraw/zinc/59/18/19/446591819.db2.gz ICBTZMDZDNTWHA-YJBOKZPZSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000420418604 446592408 /nfs/dbraw/zinc/59/24/08/446592408.db2.gz XAKAHGMINGVPAM-NXHRZFHOSA-N 1 3 332.492 1.322 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423742449 446673267 /nfs/dbraw/zinc/67/32/67/446673267.db2.gz LHDJNZCIIDQZEM-LJQANCHMSA-N 1 3 333.476 1.723 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)C1 ZINC000418641875 446628858 /nfs/dbraw/zinc/62/88/58/446628858.db2.gz SRXIHQKWTQNWFA-MJGOQNOKSA-N 1 3 328.460 1.611 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3NCCc4ccccc43)C2)C1 ZINC000418641875 446628864 /nfs/dbraw/zinc/62/88/64/446628864.db2.gz SRXIHQKWTQNWFA-MJGOQNOKSA-N 1 3 328.460 1.611 20 0 EDADHO C[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N1CCCCCC1 ZINC000423997855 446815530 /nfs/dbraw/zinc/81/55/30/446815530.db2.gz IIZNEAWLIBOJGB-KBAYOESNSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439402 446863351 /nfs/dbraw/zinc/86/33/51/446863351.db2.gz UKHWNWIDXSKQSF-IAGOWNOFSA-N 1 3 338.496 1.367 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419023472 446870774 /nfs/dbraw/zinc/87/07/74/446870774.db2.gz JPDIYXWSKDDTGQ-BZUAXINKSA-N 1 3 340.512 1.055 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451867 446872807 /nfs/dbraw/zinc/87/28/07/446872807.db2.gz FXEQCSDTNYBOPA-HZPDHXFCSA-N 1 3 334.464 1.696 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419081212 446911489 /nfs/dbraw/zinc/91/14/89/446911489.db2.gz RHFYSLOLKOTMFW-HOTGVXAUSA-N 1 3 338.496 1.001 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082687 446912274 /nfs/dbraw/zinc/91/22/74/446912274.db2.gz UUYPPIFZSWBSHX-CQSZACIVSA-N 1 3 326.485 1.001 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000419115239 446933483 /nfs/dbraw/zinc/93/34/83/446933483.db2.gz SSYCKMYYBHOXEK-RDJZCZTQSA-N 1 3 348.491 1.113 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419147674 446963540 /nfs/dbraw/zinc/96/35/40/446963540.db2.gz CEWYGQPFSDKSMG-HRCADAONSA-N 1 3 338.496 1.001 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)c3ccccc3OCC[NH+](C)C)[C@@H]2C1 ZINC000425058347 447007193 /nfs/dbraw/zinc/00/71/93/447007193.db2.gz OUYMSLXZDRUGNT-DOTOQJQBSA-N 1 3 331.460 1.793 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059618 447001191 /nfs/dbraw/zinc/00/11/91/447001191.db2.gz NIXKZZNLWCHXRN-OAHLLOKOSA-N 1 3 337.439 1.772 20 0 EDADHO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000375895432 447128684 /nfs/dbraw/zinc/12/86/84/447128684.db2.gz MLPFEJQVKFNFIK-RCCFBDPRSA-N 1 3 331.460 1.774 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955748 447173389 /nfs/dbraw/zinc/17/33/89/447173389.db2.gz YYRRGODWFROJIY-GPMSIDNRSA-N 1 3 331.460 1.522 20 0 EDADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccnn1CCN(C)C ZINC000455672924 447205687 /nfs/dbraw/zinc/20/56/87/447205687.db2.gz WIVBDVOGBGBJPD-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO CC[NH+](CC)CCCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000446259533 447247634 /nfs/dbraw/zinc/24/76/34/447247634.db2.gz XRMWWUNGXPYSLQ-RLFYNMQTSA-N 1 3 325.497 1.757 20 0 EDADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252860 /nfs/dbraw/zinc/25/28/60/447252860.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252867 /nfs/dbraw/zinc/25/28/67/447252867.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)CC1 ZINC000376040918 447229157 /nfs/dbraw/zinc/22/91/57/447229157.db2.gz CXMCAJJYSHOQRH-GDBMZVCRSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)CC1 ZINC000376040918 447229162 /nfs/dbraw/zinc/22/91/62/447229162.db2.gz CXMCAJJYSHOQRH-GDBMZVCRSA-N 1 3 346.479 1.898 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369028375 447274892 /nfs/dbraw/zinc/27/48/92/447274892.db2.gz QATMHYODUKGBQP-SJORKVTESA-N 1 3 338.496 1.271 20 0 EDADHO COCCN(C)C[C@H](O)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000380980177 447458541 /nfs/dbraw/zinc/45/85/41/447458541.db2.gz YOLLUIILAWBSQL-FQEVSTJZSA-N 1 3 349.519 1.522 20 0 EDADHO COCCN(C)C[C@H](O)C[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000380980177 447458545 /nfs/dbraw/zinc/45/85/45/447458545.db2.gz YOLLUIILAWBSQL-FQEVSTJZSA-N 1 3 349.519 1.522 20 0 EDADHO CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C)CC1 ZINC000392026552 447519641 /nfs/dbraw/zinc/51/96/41/447519641.db2.gz DYIOQVRLELHNSO-HQSKLWIPSA-N 1 3 336.524 1.295 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000457523233 447586728 /nfs/dbraw/zinc/58/67/28/447586728.db2.gz CWBLGUVKSROZBU-QGZVFWFLSA-N 1 3 340.512 1.254 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnccc1C ZINC000459015626 447540771 /nfs/dbraw/zinc/54/07/71/447540771.db2.gz GNNFCVSUTWRFRE-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cnccc1C ZINC000459015626 447540779 /nfs/dbraw/zinc/54/07/79/447540779.db2.gz GNNFCVSUTWRFRE-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N[C@@H](C)c1ccccc1 ZINC000420020537 447550063 /nfs/dbraw/zinc/55/00/63/447550063.db2.gz FRBPKKOXYZYBTM-ZOBUZTSGSA-N 1 3 348.491 1.332 20 0 EDADHO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000422552712 447639905 /nfs/dbraw/zinc/63/99/05/447639905.db2.gz IFXVGXFOBCNPLP-IIAWOOMASA-N 1 3 339.505 1.742 20 0 EDADHO CO[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416837099 447694399 /nfs/dbraw/zinc/69/43/99/447694399.db2.gz WMLYNWUONJARBH-CABCVRRESA-N 1 3 326.485 1.399 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457932421 447676490 /nfs/dbraw/zinc/67/64/90/447676490.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457932421 447676495 /nfs/dbraw/zinc/67/64/95/447676495.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 1 3 340.512 1.253 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416792725 447687571 /nfs/dbraw/zinc/68/75/71/447687571.db2.gz YRDHHAKAVQGWJE-KRWDZBQOSA-N 1 3 334.464 1.359 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000416919492 447710066 /nfs/dbraw/zinc/71/00/66/447710066.db2.gz KFWOLANWMQNDDE-RHSMWYFYSA-N 1 3 336.480 1.972 20 0 EDADHO CN(C)C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789033 447750603 /nfs/dbraw/zinc/75/06/03/447750603.db2.gz SWJWYGKQYNCHCX-SLFFLAALSA-N 1 3 343.515 1.832 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404341 447767990 /nfs/dbraw/zinc/76/79/90/447767990.db2.gz UQKYTNLMJNADIL-CKEIUWERSA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404341 447767992 /nfs/dbraw/zinc/76/79/92/447767992.db2.gz UQKYTNLMJNADIL-CKEIUWERSA-N 1 3 329.485 1.725 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000422864122 447770245 /nfs/dbraw/zinc/77/02/45/447770245.db2.gz TZUUTZFMKDVVJH-QILLFSRXSA-N 1 3 341.459 1.897 20 0 EDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422946982 447777678 /nfs/dbraw/zinc/77/76/78/447777678.db2.gz XNOTVEIJTOIFRO-CYZMBNFOSA-N 1 3 329.238 1.658 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422964462 447782886 /nfs/dbraw/zinc/78/28/86/447782886.db2.gz LSNZPIOPRDNJPN-ZBFHGGJFSA-N 1 3 331.526 1.557 20 0 EDADHO c1cc(N2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)ccn1 ZINC000422998703 447789362 /nfs/dbraw/zinc/78/93/62/447789362.db2.gz WVGLHQBMVDHPFA-RTBURBONSA-N 1 3 330.476 1.655 20 0 EDADHO CN(CC[NH2+][C@H]1CCCCC[C@H]1N)S(=O)(=O)c1cccs1 ZINC000422998406 447789575 /nfs/dbraw/zinc/78/95/75/447789575.db2.gz QHYNTSQNGJFVHW-OLZOCXBDSA-N 1 3 331.507 1.618 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022047 447792268 /nfs/dbraw/zinc/79/22/68/447792268.db2.gz GWPYTBWECDPLLD-RYUDHWBXSA-N 1 3 343.830 1.928 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H](CO)c2ccsc2)CC[NH2+]CC1 ZINC000423049643 447798016 /nfs/dbraw/zinc/79/80/16/447798016.db2.gz KCEOFKQCBVLIIA-OCCSQVGLSA-N 1 3 326.462 1.693 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051832 447798709 /nfs/dbraw/zinc/79/87/09/447798709.db2.gz OGSYKAVBSMOMPZ-GJZGRUSLSA-N 1 3 328.478 1.501 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000423077149 447799584 /nfs/dbraw/zinc/79/95/84/447799584.db2.gz SQHNXXUMRACNQK-YJBOKZPZSA-N 1 3 325.460 1.994 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000423084704 447802419 /nfs/dbraw/zinc/80/24/19/447802419.db2.gz IPEHKOSQHFTSHL-JQHSSLGASA-N 1 3 327.476 1.937 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000523320771 447879147 /nfs/dbraw/zinc/87/91/47/447879147.db2.gz YZNOLGYUPHAUKV-QZTJIDSGSA-N 1 3 345.491 1.782 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000523320771 447879151 /nfs/dbraw/zinc/87/91/51/447879151.db2.gz YZNOLGYUPHAUKV-QZTJIDSGSA-N 1 3 345.491 1.782 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000530814269 447962526 /nfs/dbraw/zinc/96/25/26/447962526.db2.gz PPOZRYZBHIUJFV-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000530814269 447962531 /nfs/dbraw/zinc/96/25/31/447962531.db2.gz PPOZRYZBHIUJFV-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000553222576 447979181 /nfs/dbraw/zinc/97/91/81/447979181.db2.gz AEWHGCVRIBLABL-QZTJIDSGSA-N 1 3 337.508 1.602 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531007149 447999991 /nfs/dbraw/zinc/99/99/91/447999991.db2.gz AJNMFAGBVMAHMJ-GDBMZVCRSA-N 1 3 328.526 1.453 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531007149 447999993 /nfs/dbraw/zinc/99/99/93/447999993.db2.gz AJNMFAGBVMAHMJ-GDBMZVCRSA-N 1 3 328.526 1.453 20 0 EDADHO CN1CCN(CCCNC(=O)CC2(C[NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000570393404 448001911 /nfs/dbraw/zinc/00/19/11/448001911.db2.gz QLPWZWPHJGESHI-SFHVURJKSA-N 1 3 344.503 1.610 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([NH2+]C(C)C)CC2)n1 ZINC000553047777 447969974 /nfs/dbraw/zinc/96/99/74/447969974.db2.gz RJEWLYBQKIVDOX-UHFFFAOYSA-N 1 3 335.500 1.903 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCO[C@H]3C)CC2)CC1 ZINC000576411323 448049175 /nfs/dbraw/zinc/04/91/75/448049175.db2.gz QKVKSPBVCFFWGU-HNAYVOBHSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[C@H](CNC[C@@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982020 448095089 /nfs/dbraw/zinc/09/50/89/448095089.db2.gz VXHHANKXGSWFQN-PBHICJAKSA-N 1 3 329.485 1.582 20 0 EDADHO CC(C)C[C@H](CNC[C@@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982020 448095094 /nfs/dbraw/zinc/09/50/94/448095094.db2.gz VXHHANKXGSWFQN-PBHICJAKSA-N 1 3 329.485 1.582 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC(=O)NCc1ccccc1)CC[NH2+]CC2 ZINC000571276108 448124404 /nfs/dbraw/zinc/12/44/04/448124404.db2.gz QWSGBVWISCQYDS-OAHLLOKOSA-N 1 3 344.459 1.476 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210069 448216745 /nfs/dbraw/zinc/21/67/45/448216745.db2.gz OCKFBOLZWJZHMY-GJYPPUQNSA-N 1 3 345.487 1.977 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572000144 448259403 /nfs/dbraw/zinc/25/94/03/448259403.db2.gz NQBCNNYPPSAKTR-HOTGVXAUSA-N 1 3 334.468 1.165 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572000144 448259407 /nfs/dbraw/zinc/25/94/07/448259407.db2.gz NQBCNNYPPSAKTR-HOTGVXAUSA-N 1 3 334.468 1.165 20 0 EDADHO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000591287077 448307733 /nfs/dbraw/zinc/30/77/33/448307733.db2.gz HHTZKNZXQHMYIF-UHFFFAOYSA-N 1 3 343.475 1.951 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)N[C@H]2CCC[NH2+]CC2)c1 ZINC000591278522 448304547 /nfs/dbraw/zinc/30/45/47/448304547.db2.gz KXCJHFAUZMEUKL-HIFRSBDPSA-N 1 3 333.432 1.922 20 0 EDADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000578349701 448525021 /nfs/dbraw/zinc/52/50/21/448525021.db2.gz NDAVPLPFORQABU-BEFAXECRSA-N 1 3 342.443 1.183 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566628131 448525337 /nfs/dbraw/zinc/52/53/37/448525337.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 1 3 348.535 1.049 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566628131 448525343 /nfs/dbraw/zinc/52/53/43/448525343.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 1 3 348.535 1.049 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000517042090 448531863 /nfs/dbraw/zinc/53/18/63/448531863.db2.gz LLMRGZCTNSNZCI-OAHLLOKOSA-N 1 3 338.496 1.001 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000584524668 448555700 /nfs/dbraw/zinc/55/57/00/448555700.db2.gz BIPXASJXKMURNZ-GOSISDBHSA-N 1 3 335.492 1.350 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000573073454 448535364 /nfs/dbraw/zinc/53/53/64/448535364.db2.gz CORIHUZVMNFLNE-INMHGKMJSA-N 1 3 332.448 1.021 20 0 EDADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000538974585 448604681 /nfs/dbraw/zinc/60/46/81/448604681.db2.gz KSLMTXXXQGZPSE-MRXNPFEDSA-N 1 3 343.475 1.834 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000517874032 448624386 /nfs/dbraw/zinc/62/43/86/448624386.db2.gz XBCHRZQVUZIRBN-GOSISDBHSA-N 1 3 348.491 1.330 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573305695 448591563 /nfs/dbraw/zinc/59/15/63/448591563.db2.gz LHAIKWCAZLOJMA-SFHVURJKSA-N 1 3 346.475 1.825 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000573814754 448722369 /nfs/dbraw/zinc/72/23/69/448722369.db2.gz LJZYJXMGVFILIS-INIZCTEOSA-N 1 3 325.497 1.678 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683663 448736717 /nfs/dbraw/zinc/73/67/17/448736717.db2.gz UKDDUSBFCCKTJW-ZNMIVQPWSA-N 1 3 345.443 1.106 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683663 448736719 /nfs/dbraw/zinc/73/67/19/448736719.db2.gz UKDDUSBFCCKTJW-ZNMIVQPWSA-N 1 3 345.443 1.106 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683661 448736808 /nfs/dbraw/zinc/73/68/08/448736808.db2.gz UKDDUSBFCCKTJW-RBSFLKMASA-N 1 3 345.443 1.106 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683661 448736813 /nfs/dbraw/zinc/73/68/13/448736813.db2.gz UKDDUSBFCCKTJW-RBSFLKMASA-N 1 3 345.443 1.106 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000519407782 448767901 /nfs/dbraw/zinc/76/79/01/448767901.db2.gz ZOOFNJGWOFCQBC-QRQLOZEOSA-N 1 3 347.503 1.810 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000519407782 448767907 /nfs/dbraw/zinc/76/79/07/448767907.db2.gz ZOOFNJGWOFCQBC-QRQLOZEOSA-N 1 3 347.503 1.810 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000545238397 448780078 /nfs/dbraw/zinc/78/00/78/448780078.db2.gz GEXCAOXIAITVMG-QZTJIDSGSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000545238397 448780082 /nfs/dbraw/zinc/78/00/82/448780082.db2.gz GEXCAOXIAITVMG-QZTJIDSGSA-N 1 3 331.460 1.211 20 0 EDADHO CN1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322939 448822848 /nfs/dbraw/zinc/82/28/48/448822848.db2.gz RXTKTJYOBXCUBY-CVEARBPZSA-N 1 3 332.448 1.239 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)CC1 ZINC000568512799 448883727 /nfs/dbraw/zinc/88/37/27/448883727.db2.gz LKRPJYVKOYDOQK-MJGOQNOKSA-N 1 3 336.524 1.380 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558638 448900700 /nfs/dbraw/zinc/90/07/00/448900700.db2.gz KWMIWUQAXHIRSM-HUUCEWRRSA-N 1 3 325.453 1.005 20 0 EDADHO NC(=O)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520569004 448910803 /nfs/dbraw/zinc/91/08/03/448910803.db2.gz OXSOZEKTKQZUCJ-QGZVFWFLSA-N 1 3 331.460 1.380 20 0 EDADHO NC(=O)CCNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569004 448910806 /nfs/dbraw/zinc/91/08/06/448910806.db2.gz OXSOZEKTKQZUCJ-QGZVFWFLSA-N 1 3 331.460 1.380 20 0 EDADHO NC(=O)CCNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569004 448910815 /nfs/dbraw/zinc/91/08/15/448910815.db2.gz OXSOZEKTKQZUCJ-QGZVFWFLSA-N 1 3 331.460 1.380 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)n1 ZINC000529713965 448934037 /nfs/dbraw/zinc/93/40/37/448934037.db2.gz BPRMKDZRSNBGRS-INIZCTEOSA-N 1 3 333.480 1.582 20 0 EDADHO O=C(Nc1ccc(F)cc1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000579838799 448891853 /nfs/dbraw/zinc/89/18/53/448891853.db2.gz YUWURKKKDFCKMK-UHFFFAOYSA-N 1 3 334.439 1.381 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000581065761 448965171 /nfs/dbraw/zinc/96/51/71/448965171.db2.gz PYIZUCVULSLGIW-DOTOQJQBSA-N 1 3 325.460 2.533 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861577 448972397 /nfs/dbraw/zinc/97/23/97/448972397.db2.gz LMCJOWFSOIGTJV-NJAFHUGGSA-N 1 3 330.476 1.887 20 0 EDADHO CCN1CCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000574744643 448944824 /nfs/dbraw/zinc/94/48/24/448944824.db2.gz IGNGLSSSLZMOHK-UHFFFAOYSA-N 1 3 332.492 1.158 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000574987411 449007142 /nfs/dbraw/zinc/00/71/42/449007142.db2.gz XVUZSQQZUCHEOO-FGTMMUONSA-N 1 3 328.460 1.881 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000574987411 449007146 /nfs/dbraw/zinc/00/71/46/449007146.db2.gz XVUZSQQZUCHEOO-FGTMMUONSA-N 1 3 328.460 1.881 20 0 EDADHO COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000597943355 449153252 /nfs/dbraw/zinc/15/32/52/449153252.db2.gz YZDSTXUBVWOHQE-XHSDSOJGSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000597943355 449153256 /nfs/dbraw/zinc/15/32/56/449153256.db2.gz YZDSTXUBVWOHQE-XHSDSOJGSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000590752502 449272185 /nfs/dbraw/zinc/27/21/85/449272185.db2.gz XPDYHNVHSZZOFC-IXDOHACOSA-N 1 3 347.459 1.337 20 0 EDADHO COC(=O)CCN1CCC[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895724 449238719 /nfs/dbraw/zinc/23/87/19/449238719.db2.gz TYIBKJMZECPTLJ-CVEARBPZSA-N 1 3 337.464 1.005 20 0 EDADHO CC(C)OC(=O)[C@@H](C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964641 449249119 /nfs/dbraw/zinc/24/91/19/449249119.db2.gz KBDFBDGNYFRENF-LPHOPBHVSA-N 1 3 334.460 1.801 20 0 EDADHO CC(C)OC(=O)[C@@H](C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964641 449249122 /nfs/dbraw/zinc/24/91/22/449249122.db2.gz KBDFBDGNYFRENF-LPHOPBHVSA-N 1 3 334.460 1.801 20 0 EDADHO CSC1(CNC(=O)N(C)CCN2CCCCC2)CC[NH+](C)CC1 ZINC000593407888 449269157 /nfs/dbraw/zinc/26/91/57/449269157.db2.gz NKFCHWLKNVITQD-UHFFFAOYSA-N 1 3 342.553 1.941 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CC1([NH3+])CC1 ZINC000595950439 449275767 /nfs/dbraw/zinc/27/57/67/449275767.db2.gz DICKURCLEBZDNI-AWEZNQCLSA-N 1 3 325.453 1.134 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913706 449282133 /nfs/dbraw/zinc/28/21/33/449282133.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 1 3 346.475 1.131 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913706 449282138 /nfs/dbraw/zinc/28/21/38/449282138.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 1 3 346.475 1.131 20 0 EDADHO CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066443 449441705 /nfs/dbraw/zinc/44/17/05/449441705.db2.gz FREVQAPDQZWHQY-LPHOPBHVSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066443 449441709 /nfs/dbraw/zinc/44/17/09/449441709.db2.gz FREVQAPDQZWHQY-LPHOPBHVSA-N 1 3 337.508 1.556 20 0 EDADHO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)NC1CCN(C2CC2)CC1 ZINC000606448231 449470460 /nfs/dbraw/zinc/47/04/60/449470460.db2.gz QCTHKQWLXCRMDI-UHFFFAOYSA-N 1 3 348.535 1.680 20 0 EDADHO O=C(CN1CCC[N@H+](C2CCCC2)CC1)NC1CCN(C2CC2)CC1 ZINC000606448231 449470462 /nfs/dbraw/zinc/47/04/62/449470462.db2.gz QCTHKQWLXCRMDI-UHFFFAOYSA-N 1 3 348.535 1.680 20 0 EDADHO C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)C1CC[NH+](C)CC1 ZINC000606700452 449511445 /nfs/dbraw/zinc/51/14/45/449511445.db2.gz KCTKXIIBENQAJO-OAHLLOKOSA-N 1 3 331.464 1.644 20 0 EDADHO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504849 449650468 /nfs/dbraw/zinc/65/04/68/449650468.db2.gz MWLZZSYLAANKGG-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504849 449650471 /nfs/dbraw/zinc/65/04/71/449650471.db2.gz MWLZZSYLAANKGG-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000617503748 449646062 /nfs/dbraw/zinc/64/60/62/449646062.db2.gz XJGNJFZESUBPSL-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000617503748 449646067 /nfs/dbraw/zinc/64/60/67/449646067.db2.gz XJGNJFZESUBPSL-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617504709 449649015 /nfs/dbraw/zinc/64/90/15/449649015.db2.gz GVNDKAWSXRSEMY-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617504709 449649019 /nfs/dbraw/zinc/64/90/19/449649019.db2.gz GVNDKAWSXRSEMY-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000594926608 449811012 /nfs/dbraw/zinc/81/10/12/449811012.db2.gz UKJCHWSOCNKWCH-ATZDWAIDSA-N 1 3 345.487 1.721 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000594942606 449814837 /nfs/dbraw/zinc/81/48/37/449814837.db2.gz KEMMAIZUJVQHRL-BVPBIZIASA-N 1 3 332.444 1.540 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000594942607 449814971 /nfs/dbraw/zinc/81/49/71/449814971.db2.gz KEMMAIZUJVQHRL-OKDNKWQNSA-N 1 3 332.444 1.540 20 0 EDADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612964245 449960533 /nfs/dbraw/zinc/96/05/33/449960533.db2.gz OWUROKVPZAADSY-IAGOWNOFSA-N 1 3 328.460 1.702 20 0 EDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000615617236 450168915 /nfs/dbraw/zinc/16/89/15/450168915.db2.gz VQGGANTXBDCAGO-LJQANCHMSA-N 1 3 349.519 1.966 20 0 EDADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000615617236 450168918 /nfs/dbraw/zinc/16/89/18/450168918.db2.gz VQGGANTXBDCAGO-LJQANCHMSA-N 1 3 349.519 1.966 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000623056276 450384836 /nfs/dbraw/zinc/38/48/36/450384836.db2.gz UQGIDSUEHCHPRM-OAHLLOKOSA-N 1 3 347.463 1.067 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513260 /nfs/dbraw/zinc/51/32/60/450513260.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 1 3 333.476 1.416 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513263 /nfs/dbraw/zinc/51/32/63/450513263.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 1 3 333.476 1.416 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000620747137 450538262 /nfs/dbraw/zinc/53/82/62/450538262.db2.gz NAOUEJHDFJZCQA-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000620747137 450538263 /nfs/dbraw/zinc/53/82/63/450538263.db2.gz NAOUEJHDFJZCQA-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000629419589 450665129 /nfs/dbraw/zinc/66/51/29/450665129.db2.gz PXOWWNMEZLRFAS-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO C[NH+](C)C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000624036086 450678264 /nfs/dbraw/zinc/67/82/64/450678264.db2.gz GMROOXOOIMVBEQ-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629532028 450726475 /nfs/dbraw/zinc/72/64/75/450726475.db2.gz JBAWNHIZRXWLKL-GXTWGEPZSA-N 1 3 343.830 1.928 20 0 EDADHO O=C(CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551759 450732392 /nfs/dbraw/zinc/73/23/92/450732392.db2.gz XFXKYESNCBOPRH-BFHYXJOUSA-N 1 3 331.416 1.374 20 0 EDADHO O=C1C[C@H](CNC[C@@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573908 450743688 /nfs/dbraw/zinc/74/36/88/450743688.db2.gz GDTFNOKRFPXORL-QZTJIDSGSA-N 1 3 331.460 1.081 20 0 EDADHO O=C1C[C@H](CNC[C@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573907 450744077 /nfs/dbraw/zinc/74/40/77/450744077.db2.gz GDTFNOKRFPXORL-MSOLQXFVSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624263107 450770194 /nfs/dbraw/zinc/77/01/94/450770194.db2.gz BERLZNJOISCHDG-FUMNGEBKSA-N 1 3 344.503 1.745 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624263107 450770197 /nfs/dbraw/zinc/77/01/97/450770197.db2.gz BERLZNJOISCHDG-FUMNGEBKSA-N 1 3 344.503 1.745 20 0 EDADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(=O)Nc1ccccc1 ZINC000629650331 450770340 /nfs/dbraw/zinc/77/03/40/450770340.db2.gz RMYGFMYHKGLUGR-AWEZNQCLSA-N 1 3 332.448 1.191 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000631828293 450801261 /nfs/dbraw/zinc/80/12/61/450801261.db2.gz LCVNEZXYMOHIPQ-BPLDGKMQSA-N 1 3 342.434 1.642 20 0 EDADHO Cn1c2cc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829110 450801591 /nfs/dbraw/zinc/80/15/91/450801591.db2.gz HATXXZPGBYQTBM-RKVPGOIHSA-N 1 3 345.443 1.992 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)CC2)CC1 ZINC000629769048 450803751 /nfs/dbraw/zinc/80/37/51/450803751.db2.gz UDVUZTXYKTWZMG-KFKAGJAMSA-N 1 3 349.519 1.555 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626930929 451013705 /nfs/dbraw/zinc/01/37/05/451013705.db2.gz LRVPDRIIAOLGGM-UHFFFAOYSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@H]1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C[NH2+]1 ZINC000626935064 451017684 /nfs/dbraw/zinc/01/76/84/451017684.db2.gz WMWJCQOQVDNENZ-MAUKXSAKSA-N 1 3 330.476 1.875 20 0 EDADHO [NH3+]CCCOCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000626934789 451017750 /nfs/dbraw/zinc/01/77/50/451017750.db2.gz NQQTZJXURBOEFD-QGZVFWFLSA-N 1 3 334.464 1.488 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000627005916 451070192 /nfs/dbraw/zinc/07/01/92/451070192.db2.gz NXGBGKPZIFUOPR-IAGOWNOFSA-N 1 3 334.464 1.309 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000627006079 451070834 /nfs/dbraw/zinc/07/08/34/451070834.db2.gz PLRWOOHHDMTNCV-JKSUJKDBSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC000627011743 451076241 /nfs/dbraw/zinc/07/62/41/451076241.db2.gz IXDZQBNEWWWNNG-UBHSHLNASA-N 1 3 348.413 1.806 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000627033366 451091635 /nfs/dbraw/zinc/09/16/35/451091635.db2.gz HYOALZAMQOFZDH-NVXWUHKLSA-N 1 3 336.480 1.521 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000627034111 451092907 /nfs/dbraw/zinc/09/29/07/451092907.db2.gz YMNSVJMEFZIHRV-WBVHZDCISA-N 1 3 336.480 1.555 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000627038723 451095394 /nfs/dbraw/zinc/09/53/94/451095394.db2.gz LZHNOGUJBAIELE-NVXWUHKLSA-N 1 3 334.464 1.314 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000632116612 451047422 /nfs/dbraw/zinc/04/74/22/451047422.db2.gz XRZVVMKCJHNGNG-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627174296 451165319 /nfs/dbraw/zinc/16/53/19/451165319.db2.gz GUEHLTGZCITUBV-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO CN(C(=O)NCCOCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000627214737 451191220 /nfs/dbraw/zinc/19/12/20/451191220.db2.gz YGCBZADTDZAYDF-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000638100273 451265923 /nfs/dbraw/zinc/26/59/23/451265923.db2.gz XTYCCABFFBVLKJ-KRWDZBQOSA-N 1 3 329.444 1.307 20 0 EDADHO Cc1cc(CN)oc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000638136915 451310270 /nfs/dbraw/zinc/31/02/70/451310270.db2.gz CFHAELUXTAKNJR-UHFFFAOYSA-N 1 3 329.404 1.446 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195160 451350628 /nfs/dbraw/zinc/35/06/28/451350628.db2.gz RFBMDAOIHIEHFQ-IBGZPJMESA-N 1 3 338.455 1.365 20 0 EDADHO C[C@H]1NCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@@H]1C ZINC000638203093 451352552 /nfs/dbraw/zinc/35/25/52/451352552.db2.gz DHWCSUYLMHXMDK-CHWSQXEVSA-N 1 3 345.447 1.126 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347743 /nfs/dbraw/zinc/34/77/43/451347743.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 1 3 342.487 1.075 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347751 /nfs/dbraw/zinc/34/77/51/451347751.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 1 3 342.487 1.075 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630807088 451413278 /nfs/dbraw/zinc/41/32/78/451413278.db2.gz DAGHSNLZNDILQB-HOTGVXAUSA-N 1 3 349.523 1.931 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)CN(C)Cc2ccccc2)c1 ZINC000638364552 451462092 /nfs/dbraw/zinc/46/20/92/451462092.db2.gz KRYLJBBJKXMVGL-GOSISDBHSA-N 1 3 326.444 1.852 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638366030 451463294 /nfs/dbraw/zinc/46/32/94/451463294.db2.gz JYSHXZXWLFYINZ-CYBMUJFWSA-N 1 3 345.534 1.997 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)s2)C1 ZINC000638366030 451463300 /nfs/dbraw/zinc/46/33/00/451463300.db2.gz JYSHXZXWLFYINZ-CYBMUJFWSA-N 1 3 345.534 1.997 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638379345 451473656 /nfs/dbraw/zinc/47/36/56/451473656.db2.gz ZYYZYYMZLRDKAB-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638379345 451473662 /nfs/dbraw/zinc/47/36/62/451473662.db2.gz ZYYZYYMZLRDKAB-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638400727 451489615 /nfs/dbraw/zinc/48/96/15/451489615.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638400727 451489620 /nfs/dbraw/zinc/48/96/20/451489620.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 1 3 344.503 1.579 20 0 EDADHO CN(CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341172 451445185 /nfs/dbraw/zinc/44/51/85/451445185.db2.gz NSZWCSONQKQRFK-WBVHZDCISA-N 1 3 325.497 1.709 20 0 EDADHO OCCN1CCCC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721010 451502037 /nfs/dbraw/zinc/50/20/37/451502037.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 1 3 347.503 1.060 20 0 EDADHO OCCN1CCCC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721010 451502043 /nfs/dbraw/zinc/50/20/43/451502043.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 1 3 347.503 1.060 20 0 EDADHO CO[C@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570946 451582847 /nfs/dbraw/zinc/58/28/47/451582847.db2.gz DITJISSGAHKQAZ-IAGOWNOFSA-N 1 3 325.497 1.759 20 0 EDADHO CO[C@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570946 451582854 /nfs/dbraw/zinc/58/28/54/451582854.db2.gz DITJISSGAHKQAZ-IAGOWNOFSA-N 1 3 325.497 1.759 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953216 451621924 /nfs/dbraw/zinc/62/19/24/451621924.db2.gz VHLHVFJLMZZDBS-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO CC(C)C[C@H](NCc1ccc2nccnc2c1)C(=O)NCC[NH+](C)C ZINC000634974386 451632976 /nfs/dbraw/zinc/63/29/76/451632976.db2.gz ZMYDAVYXBYFANE-SFHVURJKSA-N 1 3 343.475 1.812 20 0 EDADHO CC(C)(C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669253 451642144 /nfs/dbraw/zinc/64/21/44/451642144.db2.gz PWTFTUQEOAGIGN-MRXNPFEDSA-N 1 3 325.497 1.188 20 0 EDADHO CC(C)(CNC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669253 451642147 /nfs/dbraw/zinc/64/21/47/451642147.db2.gz PWTFTUQEOAGIGN-MRXNPFEDSA-N 1 3 325.497 1.188 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672530 451643386 /nfs/dbraw/zinc/64/33/86/451643386.db2.gz VFUNDQCDAMETTO-ZSZQSSIHSA-N 1 3 345.443 1.640 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000632933487 451659256 /nfs/dbraw/zinc/65/92/56/451659256.db2.gz KTGSIDPCBBGPJX-RDJZCZTQSA-N 1 3 329.448 1.407 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000640949221 451700345 /nfs/dbraw/zinc/70/03/45/451700345.db2.gz PVWKHJKHXPGJDO-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844013 451708759 /nfs/dbraw/zinc/70/87/59/451708759.db2.gz VJJMUZQSMWPDDH-LPHOPBHVSA-N 1 3 331.460 1.481 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000637078624 451712685 /nfs/dbraw/zinc/71/26/85/451712685.db2.gz HPMIVWIRZTZNED-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000638727134 451667928 /nfs/dbraw/zinc/66/79/28/451667928.db2.gz FJNSTFFCIOSLST-UHFFFAOYSA-N 1 3 335.492 1.751 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000638729959 451668729 /nfs/dbraw/zinc/66/87/29/451668729.db2.gz VBZVBYNNUXAEHF-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO O=C(C[C@@H]1NCc2ccccc21)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985350 451746514 /nfs/dbraw/zinc/74/65/14/451746514.db2.gz FASNCZLTBJDAAG-KRWDZBQOSA-N 1 3 337.427 1.664 20 0 EDADHO O[C@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230790 451791849 /nfs/dbraw/zinc/79/18/49/451791849.db2.gz UITJSOMPKWTZHB-IEBWSBKVSA-N 1 3 341.459 1.067 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CCN1C1CCCCC1 ZINC000637373778 451805761 /nfs/dbraw/zinc/80/57/61/451805761.db2.gz RSJBOWRROXGCMO-KRWDZBQOSA-N 1 3 331.464 1.622 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000646845246 451883198 /nfs/dbraw/zinc/88/31/98/451883198.db2.gz HLXLSAVBMFOTMB-YJBOKZPZSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000637469277 451884849 /nfs/dbraw/zinc/88/48/49/451884849.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000637469277 451884858 /nfs/dbraw/zinc/88/48/58/451884858.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000649271801 451945054 /nfs/dbraw/zinc/94/50/54/451945054.db2.gz YRGRHDCVQCMBFY-UHFFFAOYSA-N 1 3 344.459 1.472 20 0 EDADHO C[C@H]1C[NH+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C[C@H](C)O1 ZINC000649302421 451977981 /nfs/dbraw/zinc/97/79/81/451977981.db2.gz OEGYQHZONLNTMV-XYJFISCASA-N 1 3 333.476 1.562 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000649302888 451979678 /nfs/dbraw/zinc/97/96/78/451979678.db2.gz BNHUJSCJFZGWCO-LSDHHAIUSA-N 1 3 325.403 1.959 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651638 451998338 /nfs/dbraw/zinc/99/83/38/451998338.db2.gz MBHOOZDUXCHSIZ-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637813612 452096970 /nfs/dbraw/zinc/09/69/70/452096970.db2.gz CWAPTWMCKYKTQC-CYBMUJFWSA-N 1 3 345.447 1.033 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637847810 452113058 /nfs/dbraw/zinc/11/30/58/452113058.db2.gz DNGMBZHZNBSPAK-ZDUSSCGKSA-N 1 3 333.436 1.017 20 0 EDADHO CC[NH+]1CCC(CCNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647187521 452116071 /nfs/dbraw/zinc/11/60/71/452116071.db2.gz PLINEEXYFPKIOF-UHFFFAOYSA-N 1 3 343.468 1.685 20 0 EDADHO [NH3+]C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000637859686 452117821 /nfs/dbraw/zinc/11/78/21/452117821.db2.gz XIDGLRQGCUVLNG-KRWDZBQOSA-N 1 3 331.464 1.821 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000639816154 452150082 /nfs/dbraw/zinc/15/00/82/452150082.db2.gz CODJYGZPKRYRLT-GOSISDBHSA-N 1 3 334.512 1.721 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000639816154 452150088 /nfs/dbraw/zinc/15/00/88/452150088.db2.gz CODJYGZPKRYRLT-GOSISDBHSA-N 1 3 334.512 1.721 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000645221465 452217242 /nfs/dbraw/zinc/21/72/42/452217242.db2.gz NMZSDFDTGVPSRO-YJBOKZPZSA-N 1 3 332.448 1.263 20 0 EDADHO NC(=O)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000643452186 452229759 /nfs/dbraw/zinc/22/97/59/452229759.db2.gz LDLJEHKZILAOCI-UOVPBQLFSA-N 1 3 342.487 1.875 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)N(C)C)cc1 ZINC000659427015 452269435 /nfs/dbraw/zinc/26/94/35/452269435.db2.gz ITQNCXSTHADXDW-URSIVYNOSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000659451051 452300614 /nfs/dbraw/zinc/30/06/14/452300614.db2.gz MLAHRUTVHGGLKZ-UHFFFAOYSA-N 1 3 336.480 1.548 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457758 452310136 /nfs/dbraw/zinc/31/01/36/452310136.db2.gz KLBOSIQLIJSOKI-GUDVDZBRSA-N 1 3 342.487 1.916 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659468437 452323110 /nfs/dbraw/zinc/32/31/10/452323110.db2.gz ATWYEZCQMLQOAI-JEDBISTDSA-N 1 3 342.487 1.914 20 0 EDADHO CCN1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332237 /nfs/dbraw/zinc/33/22/37/452332237.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 1 3 341.544 1.383 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000665761359 452335929 /nfs/dbraw/zinc/33/59/29/452335929.db2.gz AQJKIWQGXCZGQM-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)OC[C@@H]1C ZINC000665761359 452335936 /nfs/dbraw/zinc/33/59/36/452335936.db2.gz AQJKIWQGXCZGQM-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000665762647 452339345 /nfs/dbraw/zinc/33/93/45/452339345.db2.gz LLNIBDAARFNFSN-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)C12CCCC2 ZINC000665762647 452339354 /nfs/dbraw/zinc/33/93/54/452339354.db2.gz LLNIBDAARFNFSN-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@@H]1CCO ZINC000665762841 452341096 /nfs/dbraw/zinc/34/10/96/452341096.db2.gz RNWSHXSPQSFWHW-DLBZAZTESA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@@H]1CCO ZINC000665762841 452341104 /nfs/dbraw/zinc/34/11/04/452341104.db2.gz RNWSHXSPQSFWHW-DLBZAZTESA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482052 452341220 /nfs/dbraw/zinc/34/12/20/452341220.db2.gz UGDRXVVHINIUDE-BZZMCLGOSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482052 452341226 /nfs/dbraw/zinc/34/12/26/452341226.db2.gz UGDRXVVHINIUDE-BZZMCLGOSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC([C@H](C)CO)CC1 ZINC000665764048 452347387 /nfs/dbraw/zinc/34/73/87/452347387.db2.gz SGKFMNBOFYYWHF-CVEARBPZSA-N 1 3 342.528 1.308 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000665763938 452349566 /nfs/dbraw/zinc/34/95/66/452349566.db2.gz POSZNIWFPGVJAX-JYJNAYRXSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000665763938 452349575 /nfs/dbraw/zinc/34/95/75/452349575.db2.gz POSZNIWFPGVJAX-JYJNAYRXSA-N 1 3 328.501 1.515 20 0 EDADHO COC[C@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCCCN1 ZINC000638065670 452367700 /nfs/dbraw/zinc/36/77/00/452367700.db2.gz BWNINPBVERZODK-SFHVURJKSA-N 1 3 325.497 1.773 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630131 452369628 /nfs/dbraw/zinc/36/96/28/452369628.db2.gz NAMQATVRHZKNOY-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000645473515 452442674 /nfs/dbraw/zinc/44/26/74/452442674.db2.gz RGWJNLINFLYVTC-LJQANCHMSA-N 1 3 345.487 1.798 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655708757 452527035 /nfs/dbraw/zinc/52/70/35/452527035.db2.gz OFLWAZAUZKIFBX-HKUYNNGSSA-N 1 3 338.540 1.103 20 0 EDADHO C[C@H]1C[C@@H]1c1noc(CC2CCN(CCN3CC[NH2+]CC3)CC2)n1 ZINC000652353268 452527916 /nfs/dbraw/zinc/52/79/16/452527916.db2.gz YLQZCYMQCXFCKN-HOCLYGCPSA-N 1 3 333.480 1.353 20 0 EDADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655734037 452546029 /nfs/dbraw/zinc/54/60/29/452546029.db2.gz XVNDQRJEJNCDRQ-IPMKNSEASA-N 1 3 337.508 1.207 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000663849595 452576925 /nfs/dbraw/zinc/57/69/25/452576925.db2.gz KZAAZSQZWYKXNZ-QAPCUYQASA-N 1 3 348.491 1.393 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCc1noc2ccccc12 ZINC000655939217 452708821 /nfs/dbraw/zinc/70/88/21/452708821.db2.gz MIDWVJXWNVZORI-CQSZACIVSA-N 1 3 330.432 1.690 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978559 452724199 /nfs/dbraw/zinc/72/41/99/452724199.db2.gz UWCGNRXLHQZQFM-JKSUJKDBSA-N 1 3 348.491 1.563 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655958518 452739629 /nfs/dbraw/zinc/73/96/29/452739629.db2.gz LXQGPQFEKYYGHN-RRQGHBQHSA-N 1 3 344.459 1.778 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658146939 452755874 /nfs/dbraw/zinc/75/58/74/452755874.db2.gz WOMIFPUHFLZNBQ-VQIMIIECSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198820 452954734 /nfs/dbraw/zinc/95/47/34/452954734.db2.gz ZNPAEUYINJWGAE-VBQJREDUSA-N 1 3 348.495 1.067 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662286969 453011454 /nfs/dbraw/zinc/01/14/54/453011454.db2.gz VIPWLADIXNHHAX-RRFJBIMHSA-N 1 3 336.484 1.189 20 0 EDADHO C[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662313607 453031284 /nfs/dbraw/zinc/03/12/84/453031284.db2.gz JJHPXZUOZMIKDY-ZJPYXAASSA-N 1 3 337.508 1.996 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2cn[nH]n2)CC1 ZINC000660120913 453046527 /nfs/dbraw/zinc/04/65/27/453046527.db2.gz QDSGSXWQKLHEME-UHFFFAOYSA-N 1 3 348.495 1.051 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)CCO)CC2)CC1 ZINC000654969922 453089116 /nfs/dbraw/zinc/08/91/16/453089116.db2.gz OXJMPAMYQXZXFE-UHFFFAOYSA-N 1 3 325.497 1.460 20 0 EDADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000662393779 453104532 /nfs/dbraw/zinc/10/45/32/453104532.db2.gz JTSKWRVFHVZIBB-MJGOQNOKSA-N 1 3 339.439 1.695 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662402528 453112075 /nfs/dbraw/zinc/11/20/75/453112075.db2.gz BFOSIHCWPJMOQM-KGLIPLIRSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662401817 453113384 /nfs/dbraw/zinc/11/33/84/453113384.db2.gz BNVMSPMCFZFRGI-ZIAGYGMSSA-N 1 3 333.480 1.727 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[C@@H](N2CCCCC2)C1 ZINC000662451498 453159319 /nfs/dbraw/zinc/15/93/19/453159319.db2.gz CPBHPUYKGRKCSR-OAHLLOKOSA-N 1 3 332.448 1.842 20 0 EDADHO CN(CCN1CCCCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000652989790 453179341 /nfs/dbraw/zinc/17/93/41/453179341.db2.gz UYQUOPKTMYTLOO-HXUWFJFHSA-N 1 3 345.487 1.568 20 0 EDADHO CN(CCN1CCCCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000652989790 453179344 /nfs/dbraw/zinc/17/93/44/453179344.db2.gz UYQUOPKTMYTLOO-HXUWFJFHSA-N 1 3 345.487 1.568 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000646186655 453200251 /nfs/dbraw/zinc/20/02/51/453200251.db2.gz DIJZKNQMZSGSMZ-HZPDHXFCSA-N 1 3 348.495 1.019 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648759915 453242167 /nfs/dbraw/zinc/24/21/67/453242167.db2.gz ZVNZLNDBASLOKW-GDBMZVCRSA-N 1 3 349.475 1.592 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648759915 453242177 /nfs/dbraw/zinc/24/21/77/453242177.db2.gz ZVNZLNDBASLOKW-GDBMZVCRSA-N 1 3 349.475 1.592 20 0 EDADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COCC[NH3+] ZINC000646254415 453259397 /nfs/dbraw/zinc/25/93/97/453259397.db2.gz OTZQYEJIPYKRGK-UHFFFAOYSA-N 1 3 347.381 1.571 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)CCO)CC2)CC1 ZINC000655166820 453283645 /nfs/dbraw/zinc/28/36/45/453283645.db2.gz MUTCKDVKNXFLFN-OAHLLOKOSA-N 1 3 325.497 1.412 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662567188 453294627 /nfs/dbraw/zinc/29/46/27/453294627.db2.gz IQXMRMRQAGXROT-VCBZYWHSSA-N 1 3 341.455 1.987 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662575324 453301170 /nfs/dbraw/zinc/30/11/70/453301170.db2.gz RKUYPZPYYWJRTO-MSOLQXFVSA-N 1 3 329.444 1.648 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CCNC3)C1 ZINC000667094506 453401993 /nfs/dbraw/zinc/40/19/93/453401993.db2.gz UJFXZBVNXIMGLD-OAHLLOKOSA-N 1 3 344.459 1.260 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000662683268 453404200 /nfs/dbraw/zinc/40/42/00/453404200.db2.gz PZODCWBCEQXUAM-KOHRHEQBSA-N 1 3 331.435 1.987 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000653258754 453441492 /nfs/dbraw/zinc/44/14/92/453441492.db2.gz NEPJUOJKNGABCS-YSHGAJCASA-N 1 3 343.471 1.761 20 0 EDADHO NCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000667167434 453449687 /nfs/dbraw/zinc/44/96/87/453449687.db2.gz DCLSPKZIGDKBCY-UHFFFAOYSA-N 1 3 332.448 1.466 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662743794 453471898 /nfs/dbraw/zinc/47/18/98/453471898.db2.gz UDTOHSZHORNBHX-OAGGEKHMSA-N 1 3 348.495 1.538 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662788011 453522074 /nfs/dbraw/zinc/52/20/74/453522074.db2.gz FVTHEFGPYQPBPB-OALUTQOASA-N 1 3 345.487 1.517 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000667264499 453523771 /nfs/dbraw/zinc/52/37/71/453523771.db2.gz OLBLYFWWKQJURE-QGZVFWFLSA-N 1 3 346.475 1.725 20 0 EDADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834424 453561387 /nfs/dbraw/zinc/56/13/87/453561387.db2.gz HGYKSKVPMBAAJD-GOEBONIOSA-N 1 3 332.448 1.888 20 0 EDADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851693 453571683 /nfs/dbraw/zinc/57/16/83/453571683.db2.gz BXQZKCDBFBJXIY-UONOGXRCSA-N 1 3 334.468 1.195 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859478 453573715 /nfs/dbraw/zinc/57/37/15/453573715.db2.gz NGRLHIINHJBHHD-IPMKNSEASA-N 1 3 343.471 1.400 20 0 EDADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865764 453578611 /nfs/dbraw/zinc/57/86/11/453578611.db2.gz HDWZJYFUYMIKAK-JIMOISOXSA-N 1 3 333.329 1.509 20 0 EDADHO CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C12CCC2 ZINC000665118988 453581593 /nfs/dbraw/zinc/58/15/93/453581593.db2.gz KERSEMQGYAAMTM-JYJNAYRXSA-N 1 3 340.512 1.515 20 0 EDADHO CO[C@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C12CCC2 ZINC000665118988 453581596 /nfs/dbraw/zinc/58/15/96/453581596.db2.gz KERSEMQGYAAMTM-JYJNAYRXSA-N 1 3 340.512 1.515 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CCCC1 ZINC000660821979 453587046 /nfs/dbraw/zinc/58/70/46/453587046.db2.gz MGMMUJNCJLKXCL-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657307185 453763157 /nfs/dbraw/zinc/76/31/57/453763157.db2.gz CCSQAKMUOUGYIR-FQEVSTJZSA-N 1 3 347.503 1.972 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000663496229 453810366 /nfs/dbraw/zinc/81/03/66/453810366.db2.gz DVBIZHORDXYGAL-GUYCJALGSA-N 1 3 336.505 1.507 20 0 EDADHO Cc1ncsc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513641 453813471 /nfs/dbraw/zinc/81/34/71/453813471.db2.gz SUFBDAKYJWLXHP-CQSZACIVSA-N 1 3 346.504 1.964 20 0 EDADHO C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)[C@@H]1CCC[NH2+]C1 ZINC000515164893 486735122 /nfs/dbraw/zinc/73/51/22/486735122.db2.gz XTVYNMFANFZXKW-NVXWUHKLSA-N 1 3 325.460 2.533 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271382 486776211 /nfs/dbraw/zinc/77/62/11/486776211.db2.gz MAFBVZOUYARCMD-MFNRNEDNSA-N 1 3 343.537 1.699 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271382 486776218 /nfs/dbraw/zinc/77/62/18/486776218.db2.gz MAFBVZOUYARCMD-MFNRNEDNSA-N 1 3 343.537 1.699 20 0 EDADHO CC[C@H]1CN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC[C@H]1[NH3+] ZINC000667546864 486837211 /nfs/dbraw/zinc/83/72/11/486837211.db2.gz UIBMLETUZQMEGV-JKSUJKDBSA-N 1 3 346.475 1.581 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000684048408 486924729 /nfs/dbraw/zinc/92/47/29/486924729.db2.gz SJKXCHCTYVYNMU-GOSISDBHSA-N 1 3 349.475 1.420 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)Nc2cnc3c(c2)CNCC3)CCCO1 ZINC000667804527 486973925 /nfs/dbraw/zinc/97/39/25/486973925.db2.gz BGNDCPIQGNEQRV-AWEZNQCLSA-N 1 3 347.463 1.350 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)Nc2cnc3c(c2)CNCC3)CCCO1 ZINC000667804527 486973932 /nfs/dbraw/zinc/97/39/32/486973932.db2.gz BGNDCPIQGNEQRV-AWEZNQCLSA-N 1 3 347.463 1.350 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000673673815 487087794 /nfs/dbraw/zinc/08/77/94/487087794.db2.gz YDCSYFVJUBGHON-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674327376 487237509 /nfs/dbraw/zinc/23/75/09/487237509.db2.gz DVZLAZIVFGEKAT-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000678237030 487269069 /nfs/dbraw/zinc/26/90/69/487269069.db2.gz CLWDOPPBNPPCKD-PMACEKPBSA-N 1 3 347.503 1.658 20 0 EDADHO C[C@@H]1C[C@H](N2CCOCC2)CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441694 487275338 /nfs/dbraw/zinc/27/53/38/487275338.db2.gz LGYQVLUGWFHGOP-MJGOQNOKSA-N 1 3 347.503 1.922 20 0 EDADHO CN(c1ccccc1CNCCc1nnnn1C)C1CC[NH+](C)CC1 ZINC000678499091 487320315 /nfs/dbraw/zinc/32/03/15/487320315.db2.gz IRLQJFRIUKWNHZ-UHFFFAOYSA-N 1 3 343.479 1.073 20 0 EDADHO CN(c1ccccc1C[NH2+]CCc1nnnn1C)C1CCN(C)CC1 ZINC000678499091 487320316 /nfs/dbraw/zinc/32/03/16/487320316.db2.gz IRLQJFRIUKWNHZ-UHFFFAOYSA-N 1 3 343.479 1.073 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114106 487379811 /nfs/dbraw/zinc/37/98/11/487379811.db2.gz FSADUQOQLUXFFY-YOEHRIQHSA-N 1 3 329.448 1.396 20 0 EDADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC000679290623 487409677 /nfs/dbraw/zinc/40/96/77/487409677.db2.gz XRVQPPLBEBIKQK-PBHICJAKSA-N 1 3 340.487 1.935 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000679381980 487420073 /nfs/dbraw/zinc/42/00/73/487420073.db2.gz QZXHPWMRGCAFCQ-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528946 485504307 /nfs/dbraw/zinc/50/43/07/485504307.db2.gz VICJIQMCGCKGHS-HPFXQQBRSA-N 1 3 334.508 1.890 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000669139238 485730186 /nfs/dbraw/zinc/73/01/86/485730186.db2.gz SLBSROZJVDWGCB-WMZOPIPTSA-N 1 3 346.475 1.520 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542965 485872793 /nfs/dbraw/zinc/87/27/93/485872793.db2.gz TUADQAZGDSUOCQ-SJLPKXTDSA-N 1 3 331.460 1.728 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000237719235 485998997 /nfs/dbraw/zinc/99/89/97/485998997.db2.gz SLKWORFGHJZHHF-SFHVURJKSA-N 1 3 344.503 1.765 20 0 EDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707288 486009426 /nfs/dbraw/zinc/00/94/26/486009426.db2.gz HEXMXYWEQJTMHE-DNVCBOLYSA-N 1 3 345.487 1.864 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707288 486009434 /nfs/dbraw/zinc/00/94/34/486009434.db2.gz HEXMXYWEQJTMHE-DNVCBOLYSA-N 1 3 345.487 1.864 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669462469 486216330 /nfs/dbraw/zinc/21/63/30/486216330.db2.gz HHAGFQKKNBNAQE-QGZVFWFLSA-N 1 3 348.491 1.611 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483563 486248961 /nfs/dbraw/zinc/24/89/61/486248961.db2.gz BGQZROMOSYVLCZ-GOSISDBHSA-N 1 3 348.491 1.749 20 0 EDADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000669491361 486263581 /nfs/dbraw/zinc/26/35/81/486263581.db2.gz WPWLIAAAOODYSX-IRXDYDNUSA-N 1 3 334.508 1.890 20 0 EDADHO COC1CCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000080155828 491171354 /nfs/dbraw/zinc/17/13/54/491171354.db2.gz MGCUKMGYGWTZDX-MQVJKMGUSA-N 1 3 338.496 1.412 20 0 EDADHO COC1CCN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000080155828 491171356 /nfs/dbraw/zinc/17/13/56/491171356.db2.gz MGCUKMGYGWTZDX-MQVJKMGUSA-N 1 3 338.496 1.412 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000345629922 535143919 /nfs/dbraw/zinc/14/39/19/535143919.db2.gz AUVJEBGHRCKRLI-UHFFFAOYSA-N 1 3 325.497 1.676 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333388951 535330489 /nfs/dbraw/zinc/33/04/89/535330489.db2.gz ONBRFHINIBESBX-HZPDHXFCSA-N 1 3 338.496 1.127 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333388949 535330516 /nfs/dbraw/zinc/33/05/16/535330516.db2.gz ONBRFHINIBESBX-CVEARBPZSA-N 1 3 338.496 1.127 20 0 EDADHO CN(C(=O)NCC1(N2CCSCC2)CCCCC1)C1CC([NH3+])C1 ZINC000333150709 536022963 /nfs/dbraw/zinc/02/29/63/536022963.db2.gz FDTXEMRGSGSLTB-UHFFFAOYSA-N 1 3 340.537 1.869 20 0 EDADHO C[N@H+](CCC(=O)N1CCNCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000262105927 536303274 /nfs/dbraw/zinc/30/32/74/536303274.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO C[N@@H+](CCC(=O)N1CCNCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000262105927 536303277 /nfs/dbraw/zinc/30/32/77/536303277.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN(CCC(=O)N1CCNCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262105927 536303279 /nfs/dbraw/zinc/30/32/79/536303279.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN(CCC(=O)N1CCNCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262105927 536303281 /nfs/dbraw/zinc/30/32/81/536303281.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000237166203 536342632 /nfs/dbraw/zinc/34/26/32/536342632.db2.gz NRLOIZSQLQZUJY-INIZCTEOSA-N 1 3 345.447 1.593 20 0 EDADHO CC(C)Nc1ncnc2c1ncn2C[N@H+](C)CC1CCN(C)CC1 ZINC000729465247 578576181 /nfs/dbraw/zinc/57/61/81/578576181.db2.gz IEDAHLULQXYVKR-UHFFFAOYSA-N 1 3 331.468 1.878 20 0 EDADHO CC(C)Nc1ncnc2c1ncn2C[N@@H+](C)CC1CCN(C)CC1 ZINC000729465247 578576182 /nfs/dbraw/zinc/57/61/82/578576182.db2.gz IEDAHLULQXYVKR-UHFFFAOYSA-N 1 3 331.468 1.878 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729690162 578588056 /nfs/dbraw/zinc/58/80/56/578588056.db2.gz XYKKFOGWAMMUCV-GOSISDBHSA-N 1 3 338.540 1.642 20 0 EDADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC000760311726 580027824 /nfs/dbraw/zinc/02/78/24/580027824.db2.gz SVPNTUNLEZUORX-AWEZNQCLSA-N 1 3 333.480 1.934 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760477526 580031647 /nfs/dbraw/zinc/03/16/47/580031647.db2.gz IGLICUJPZDZINK-GOSISDBHSA-N 1 3 348.560 1.965 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448210 578712703 /nfs/dbraw/zinc/71/27/03/578712703.db2.gz FPZAHNAHLSCBNY-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556053 579648831 /nfs/dbraw/zinc/64/88/31/579648831.db2.gz MQBXDBMVBIWIRH-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556053 579648832 /nfs/dbraw/zinc/64/88/32/579648832.db2.gz MQBXDBMVBIWIRH-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000747556728 579648846 /nfs/dbraw/zinc/64/88/46/579648846.db2.gz IVOWCLNASWCVND-KRWDZBQOSA-N 1 3 348.495 1.927 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000750287172 579758337 /nfs/dbraw/zinc/75/83/37/579758337.db2.gz AFAXKMBLUSOBNT-CVEARBPZSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000750287172 579758338 /nfs/dbraw/zinc/75/83/38/579758338.db2.gz AFAXKMBLUSOBNT-CVEARBPZSA-N 1 3 341.496 1.680 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=S)NCCN(C)C)CC1 ZINC000766705072 580172312 /nfs/dbraw/zinc/17/23/12/580172312.db2.gz PGHOBCZHTQDREI-UHFFFAOYSA-N 1 3 344.569 1.493 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=S)NCCN(C)C)CC1 ZINC000766705072 580172313 /nfs/dbraw/zinc/17/23/13/580172313.db2.gz PGHOBCZHTQDREI-UHFFFAOYSA-N 1 3 344.569 1.493 20 0 EDADHO CN1CCC(NC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776605022 580423908 /nfs/dbraw/zinc/42/39/08/580423908.db2.gz XBHHIPKSEGUYIF-TWGQIWQCSA-N 1 3 331.460 1.851 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000786764987 580678367 /nfs/dbraw/zinc/67/83/67/580678367.db2.gz GBMSIGQYRDEICF-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCN(C)CC1 ZINC000891909042 590683978 /nfs/dbraw/zinc/68/39/78/590683978.db2.gz ZFKZZAXXZVQOAW-KGLIPLIRSA-N 1 3 326.510 1.350 20 0 EDADHO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000892156685 590828071 /nfs/dbraw/zinc/82/80/71/590828071.db2.gz RCSYNFLBFWQBFI-CYBMUJFWSA-N 1 3 346.809 1.808 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892187270 590855410 /nfs/dbraw/zinc/85/54/10/590855410.db2.gz KGJMOPVDCIRUFX-FJIDUMEYSA-N 1 3 328.460 1.388 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000893743639 591072607 /nfs/dbraw/zinc/07/26/07/591072607.db2.gz QRZZERNVBZFELF-HYVNUMGLSA-N 1 3 338.496 1.005 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892584141 591081617 /nfs/dbraw/zinc/08/16/17/591081617.db2.gz XYOHCMLTJAVULT-SAABIXHNSA-N 1 3 330.476 1.950 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579860 591132836 /nfs/dbraw/zinc/13/28/36/591132836.db2.gz MUWQOHOTNVVENZ-MRXNPFEDSA-N 1 3 339.528 1.091 20 0 EDADHO CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(C2CC2)C1 ZINC000892776452 591172111 /nfs/dbraw/zinc/17/21/11/591172111.db2.gz OBFCOTPPIRLKII-JKSUJKDBSA-N 1 3 336.480 1.023 20 0 EDADHO CN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892788626 591178607 /nfs/dbraw/zinc/17/86/07/591178607.db2.gz FFCWZPCUDRCUGR-SOABOVLPSA-N 1 3 328.460 1.625 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000891728353 591201234 /nfs/dbraw/zinc/20/12/34/591201234.db2.gz XFMLNDDKMNELGC-MRXNPFEDSA-N 1 3 349.479 1.435 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891748506 591209498 /nfs/dbraw/zinc/20/94/98/591209498.db2.gz RSAVPYUOQCINFT-QZTJIDSGSA-N 1 3 343.475 1.834 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000891766853 591217344 /nfs/dbraw/zinc/21/73/44/591217344.db2.gz YEIUZLSRMRJTCB-HOCLYGCPSA-N 1 3 336.480 1.095 20 0 EDADHO COC(=O)c1sccc1CNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000892950752 591236876 /nfs/dbraw/zinc/23/68/76/591236876.db2.gz GRRWZNNUFDABCR-CQSZACIVSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)c1sccc1CNCCCC[N@H+]1CCC[C@@H]1CO ZINC000892950752 591236878 /nfs/dbraw/zinc/23/68/78/591236878.db2.gz GRRWZNNUFDABCR-CQSZACIVSA-N 1 3 326.462 1.861 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232080 591238408 /nfs/dbraw/zinc/23/84/08/591238408.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 1 3 342.487 1.710 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232080 591238409 /nfs/dbraw/zinc/23/84/09/591238409.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 1 3 342.487 1.710 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772542 591270628 /nfs/dbraw/zinc/27/06/28/591270628.db2.gz HHQGXRPUWDQPBZ-KRWDZBQOSA-N 1 3 347.459 1.012 20 0 EDADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C1CN(C2CCOCC2)C1 ZINC000895788397 591272861 /nfs/dbraw/zinc/27/28/61/591272861.db2.gz SSRHNRCQOZPNPF-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1CN(C2CCOCC2)C1 ZINC000895788397 591272862 /nfs/dbraw/zinc/27/28/62/591272862.db2.gz SSRHNRCQOZPNPF-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)C2CN(C3CCOCC3)C2)([NH+](C)C)C1 ZINC000895834981 591285066 /nfs/dbraw/zinc/28/50/66/591285066.db2.gz VADBOPKRSBLDHZ-KXBFYZLASA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000900197559 591937525 /nfs/dbraw/zinc/93/75/25/591937525.db2.gz JBXRRWKOXQEWEF-QGZVFWFLSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900214854 591945166 /nfs/dbraw/zinc/94/51/66/591945166.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 1 3 339.524 1.708 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900214854 591945170 /nfs/dbraw/zinc/94/51/70/591945170.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 1 3 339.524 1.708 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)c2ccnn2CCN(C)C)([NH+](C)C)C1 ZINC000900320313 591990115 /nfs/dbraw/zinc/99/01/15/591990115.db2.gz DRNAOYSORFHICC-YJBOKZPZSA-N 1 3 335.496 1.685 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395544 591990404 /nfs/dbraw/zinc/99/04/04/591990404.db2.gz GUGUKGQRTXTROG-KBPBESRZSA-N 1 3 329.452 1.071 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000902501063 592003188 /nfs/dbraw/zinc/00/31/88/592003188.db2.gz HRRRFWVWSPJZOH-FRYIKTPZSA-N 1 3 343.471 1.599 20 0 EDADHO CC(C)C[C@@H](C)N(C)C(=O)CONC(=N)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810207 592068275 /nfs/dbraw/zinc/06/82/75/592068275.db2.gz OIDUNFUTBCUZLM-QLFBSQMISA-N 1 3 340.468 1.241 20 0 EDADHO CC(C)C[C@@H](C)N(C)C(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810207 592068278 /nfs/dbraw/zinc/06/82/78/592068278.db2.gz OIDUNFUTBCUZLM-QLFBSQMISA-N 1 3 340.468 1.241 20 0 EDADHO CC(C)C[C@@H](C)N(C)C(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810207 592068280 /nfs/dbraw/zinc/06/82/80/592068280.db2.gz OIDUNFUTBCUZLM-QLFBSQMISA-N 1 3 340.468 1.241 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)ccn1 ZINC000903088513 592118030 /nfs/dbraw/zinc/11/80/30/592118030.db2.gz ZMDYVDJEMFVGDD-RBUKOAKNSA-N 1 3 346.475 1.131 20 0 EDADHO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000903131869 592124010 /nfs/dbraw/zinc/12/40/10/592124010.db2.gz XGZXWYNEVBCKJO-FZKCQIBNSA-N 1 3 333.480 1.838 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484685 592177770 /nfs/dbraw/zinc/17/77/70/592177770.db2.gz VEBUJZNEBGMYTD-ZWKOTPCHSA-N 1 3 344.503 1.670 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496939 592188260 /nfs/dbraw/zinc/18/82/60/592188260.db2.gz KTJUXNNPYVDJKE-QBPKDAKJSA-N 1 3 325.497 1.615 20 0 EDADHO CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901074272 592224008 /nfs/dbraw/zinc/22/40/08/592224008.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 1 3 345.487 1.566 20 0 EDADHO CN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000901074272 592224009 /nfs/dbraw/zinc/22/40/09/592224009.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 1 3 345.487 1.566 20 0 EDADHO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906648663 592233534 /nfs/dbraw/zinc/23/35/34/592233534.db2.gz OFECVIDYIVDSHD-UHFFFAOYSA-N 1 3 334.464 1.712 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906652497 592235749 /nfs/dbraw/zinc/23/57/49/592235749.db2.gz ZEVFAABGSOBUJP-UHFFFAOYSA-N 1 3 334.464 1.667 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@@H](CNC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904368990 592240214 /nfs/dbraw/zinc/24/02/14/592240214.db2.gz PFDZQNHZTCIGGF-YOEHRIQHSA-N 1 3 327.469 1.602 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000904368990 592240218 /nfs/dbraw/zinc/24/02/18/592240218.db2.gz PFDZQNHZTCIGGF-YOEHRIQHSA-N 1 3 327.469 1.602 20 0 EDADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(C(=O)NC3CC3)cc1)CC2 ZINC000904389947 592243162 /nfs/dbraw/zinc/24/31/62/592243162.db2.gz ZDNCJPFJVHEZHQ-GOSISDBHSA-N 1 3 343.471 1.909 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1CN ZINC000906666457 592247879 /nfs/dbraw/zinc/24/78/79/592247879.db2.gz PNQJHCKDUHTQMP-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906681583 592262946 /nfs/dbraw/zinc/26/29/46/592262946.db2.gz YSPWRNJHOAEOCG-UHFFFAOYSA-N 1 3 346.475 1.763 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000904501416 592272555 /nfs/dbraw/zinc/27/25/55/592272555.db2.gz YVKMEBVGASPCQV-IRXDYDNUSA-N 1 3 348.447 1.087 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000904578664 592285971 /nfs/dbraw/zinc/28/59/71/592285971.db2.gz ZHWWCSPCIJDQHD-HOTGVXAUSA-N 1 3 332.448 1.865 20 0 EDADHO CCN(CC)C(=O)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903727129 592286071 /nfs/dbraw/zinc/28/60/71/592286071.db2.gz QTVCYEAKXLPJKJ-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713522 592291446 /nfs/dbraw/zinc/29/14/46/592291446.db2.gz ULTPLJBIGOLKIM-FRRDWIJNSA-N 1 3 337.386 1.273 20 0 EDADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000903737319 592300087 /nfs/dbraw/zinc/30/00/87/592300087.db2.gz RAXNXMMEAWWHQE-QAPCUYQASA-N 1 3 331.464 1.172 20 0 EDADHO CN1CCN(C(=O)CC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903740839 592302640 /nfs/dbraw/zinc/30/26/40/592302640.db2.gz ZSUYDPYAJZPDQW-SFHVURJKSA-N 1 3 336.524 1.252 20 0 EDADHO CC(=O)N(C[C@H]1CCCN1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915451 592370598 /nfs/dbraw/zinc/37/05/98/592370598.db2.gz YSDFXFYRMRJLSP-VQIMIIECSA-N 1 3 347.507 1.321 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNC[C@H]2NCCc3ccccc32)cnn1C ZINC000903920744 592376909 /nfs/dbraw/zinc/37/69/09/592376909.db2.gz WXFXPSASHSNEOY-HNAYVOBHSA-N 1 3 327.476 1.323 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905049747 592379526 /nfs/dbraw/zinc/37/95/26/592379526.db2.gz PVPANJLZFYFHDO-LJQANCHMSA-N 1 3 347.503 1.190 20 0 EDADHO COc1ccc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903925555 592379588 /nfs/dbraw/zinc/37/95/88/592379588.db2.gz NVOKEPKVGQZPBW-OAHLLOKOSA-N 1 3 345.447 1.552 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2cn3ccccc3n2)cnn1C ZINC000903925304 592380005 /nfs/dbraw/zinc/38/00/05/592380005.db2.gz DOKXIAUOUBOQID-HNNXBMFYSA-N 1 3 326.448 1.326 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCCc2cn3ccccc3n2)cnn1C ZINC000903925304 592380011 /nfs/dbraw/zinc/38/00/11/592380011.db2.gz DOKXIAUOUBOQID-HNNXBMFYSA-N 1 3 326.448 1.326 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203444 592381060 /nfs/dbraw/zinc/38/10/60/592381060.db2.gz DBHGQNDSULAVHK-WMZOPIPTSA-N 1 3 337.439 1.391 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203444 592381065 /nfs/dbraw/zinc/38/10/65/592381065.db2.gz DBHGQNDSULAVHK-WMZOPIPTSA-N 1 3 337.439 1.391 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(Cc2cnn(C)c2)CC(C)C)cnn1C ZINC000903929945 592382690 /nfs/dbraw/zinc/38/26/90/592382690.db2.gz ORJJHDLWNQCNJI-MRXNPFEDSA-N 1 3 332.496 1.738 20 0 EDADHO Fc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)nc12 ZINC000903980309 592400099 /nfs/dbraw/zinc/40/00/99/592400099.db2.gz OOQYBRNRCBHPLZ-CALCHBBNSA-N 1 3 343.450 1.874 20 0 EDADHO Fc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)nc12 ZINC000903980309 592400102 /nfs/dbraw/zinc/40/01/02/592400102.db2.gz OOQYBRNRCBHPLZ-CALCHBBNSA-N 1 3 343.450 1.874 20 0 EDADHO Fc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)nc12 ZINC000903980309 592400106 /nfs/dbraw/zinc/40/01/06/592400106.db2.gz OOQYBRNRCBHPLZ-CALCHBBNSA-N 1 3 343.450 1.874 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]CC3(O)C4CC5CC(C4)CC3C5)C2)CC1 ZINC000905110898 592411788 /nfs/dbraw/zinc/41/17/88/592411788.db2.gz SIXNXOACUWLOBS-PRYZXDJCSA-N 1 3 347.547 1.932 20 0 EDADHO CN(C)CCOc1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904088296 592424127 /nfs/dbraw/zinc/42/41/27/592424127.db2.gz SQHGAHAQFAXQHQ-PMPSAXMXSA-N 1 3 328.416 2.000 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908330549 592447285 /nfs/dbraw/zinc/44/72/85/592447285.db2.gz RULHAUQVWSUZEK-UHFFFAOYSA-N 1 3 333.480 1.536 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908330549 592447291 /nfs/dbraw/zinc/44/72/91/592447291.db2.gz RULHAUQVWSUZEK-UHFFFAOYSA-N 1 3 333.480 1.536 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1(C)C ZINC000905245399 592475500 /nfs/dbraw/zinc/47/55/00/592475500.db2.gz DAGYVOOCUCGONP-MOPGFXCFSA-N 1 3 349.519 1.477 20 0 EDADHO CCC1(N2CCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905360730 592506722 /nfs/dbraw/zinc/50/67/22/592506722.db2.gz AQEXBRRZBGPXMN-UHFFFAOYSA-N 1 3 329.510 1.266 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502554 592545964 /nfs/dbraw/zinc/54/59/64/592545964.db2.gz KQMJBDIDJZEYMI-DZVNLGKHSA-N 1 3 340.508 1.112 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496380 592553463 /nfs/dbraw/zinc/55/34/63/592553463.db2.gz SCZFICBYKOLDTC-OBVSXPTNSA-N 1 3 340.508 1.112 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CN)C[NH+]1CCCCC1 ZINC000906644430 592865411 /nfs/dbraw/zinc/86/54/11/592865411.db2.gz APSULSGMVIYPGP-AWEZNQCLSA-N 1 3 332.448 1.322 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N1CCCCC1 ZINC000906644444 592865523 /nfs/dbraw/zinc/86/55/23/592865523.db2.gz ATUULVGNOGYDSB-CQSZACIVSA-N 1 3 346.475 1.810 20 0 EDADHO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(N)C[C@H]1c1ccccc1 ZINC000911663536 592973070 /nfs/dbraw/zinc/97/30/70/592973070.db2.gz DVQNQTNXFUDCFW-FCEWJHQRSA-N 1 3 325.412 1.696 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000911692780 592983176 /nfs/dbraw/zinc/98/31/76/592983176.db2.gz WYNPDFMYCMWNNP-RMKNXTFCSA-N 1 3 331.460 1.851 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]23C[NH2+]C[C@H]2COCC3)cc1 ZINC000911765970 593000497 /nfs/dbraw/zinc/00/04/97/593000497.db2.gz XUIBKGARBOCTKR-YQVWRLOYSA-N 1 3 331.460 1.552 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)N1CCN(C)CC1 ZINC000911891820 593031703 /nfs/dbraw/zinc/03/17/03/593031703.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C)N1CCN(C)CC1 ZINC000911891820 593031704 /nfs/dbraw/zinc/03/17/04/593031704.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO CN1CCCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000911928550 593034806 /nfs/dbraw/zinc/03/48/06/593034806.db2.gz CAGRYNJCXIGFMW-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912303171 593083695 /nfs/dbraw/zinc/08/36/95/593083695.db2.gz IQXLMPPEBKEHLN-HRCADAONSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912303171 593083696 /nfs/dbraw/zinc/08/36/96/593083696.db2.gz IQXLMPPEBKEHLN-HRCADAONSA-N 1 3 341.496 1.354 20 0 EDADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912508067 593101268 /nfs/dbraw/zinc/10/12/68/593101268.db2.gz RQMVITVDYPNVIW-OAHLLOKOSA-N 1 3 333.480 1.582 20 0 EDADHO CN(C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000912508067 593101269 /nfs/dbraw/zinc/10/12/69/593101269.db2.gz RQMVITVDYPNVIW-OAHLLOKOSA-N 1 3 333.480 1.582 20 0 EDADHO CCOC(=O)CC(C)(C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000838853117 593225642 /nfs/dbraw/zinc/22/56/42/593225642.db2.gz IVLBDEUHCUAWMO-SJORKVTESA-N 1 3 339.524 1.924 20 0 EDADHO CCOC(=O)CC(C)(C)C[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000839094688 593260927 /nfs/dbraw/zinc/26/09/27/593260927.db2.gz BFMLFCRTJKXBNF-UHFFFAOYSA-N 1 3 339.524 1.925 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597997 /nfs/dbraw/zinc/59/79/97/593597997.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 1 3 334.508 1.591 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CN3C(=O)CC34CCC4)CC2)CC1 ZINC000817374870 593597998 /nfs/dbraw/zinc/59/79/98/593597998.db2.gz ZPYSDDRNDYMWTJ-UHFFFAOYSA-N 1 3 334.508 1.591 20 0 EDADHO N[C@@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859061 593641818 /nfs/dbraw/zinc/64/18/18/593641818.db2.gz OQWKVESHNNOKMS-HZPDHXFCSA-N 1 3 331.416 1.661 20 0 EDADHO N[C@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)C1CCC1 ZINC000817858934 593641877 /nfs/dbraw/zinc/64/18/77/593641877.db2.gz GERVRWWDONZEFH-INIZCTEOSA-N 1 3 331.416 1.661 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135202 593740682 /nfs/dbraw/zinc/74/06/82/593740682.db2.gz VBOXWPUFZANJKZ-ZNMIVQPWSA-N 1 3 329.485 1.725 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000820808609 593895110 /nfs/dbraw/zinc/89/51/10/593895110.db2.gz KAJAZGGJHQRKSS-UHFFFAOYSA-N 1 3 347.503 1.848 20 0 EDADHO COc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000826168827 594360125 /nfs/dbraw/zinc/36/01/25/594360125.db2.gz ZOHHPUKSYUSEBE-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314522 594389483 /nfs/dbraw/zinc/38/94/83/594389483.db2.gz JLXVDPIFTUHLDP-SFHVURJKSA-N 1 3 345.487 1.796 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000831217529 594583978 /nfs/dbraw/zinc/58/39/78/594583978.db2.gz ABXWKNWFUVLPOW-TXPKVOOTSA-N 1 3 348.491 1.391 20 0 EDADHO C[C@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000831267933 594595811 /nfs/dbraw/zinc/59/58/11/594595811.db2.gz SANYYYZRAGNHAQ-IRXDYDNUSA-N 1 3 339.528 1.173 20 0 EDADHO CC[C@@H](C[C@H](C)O)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000831311437 594605247 /nfs/dbraw/zinc/60/52/47/594605247.db2.gz OMMSJRLMGNHDSX-RDJZCZTQSA-N 1 3 339.524 1.848 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684082 /nfs/dbraw/zinc/68/40/82/594684082.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 1 3 333.398 1.813 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684083 /nfs/dbraw/zinc/68/40/83/594684083.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684084 /nfs/dbraw/zinc/68/40/84/594684084.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684085 /nfs/dbraw/zinc/68/40/85/594684085.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 1 3 333.398 1.813 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841304742 594883016 /nfs/dbraw/zinc/88/30/16/594883016.db2.gz DSMKDHDGDZTCOX-GJZGRUSLSA-N 1 3 330.432 1.317 20 0 EDADHO COCCCN1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841783064 594951711 /nfs/dbraw/zinc/95/17/11/594951711.db2.gz KXMAXGOSOUQWPW-UHFFFAOYSA-N 1 3 348.491 1.488 20 0 EDADHO NCc1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000841850336 594965217 /nfs/dbraw/zinc/96/52/17/594965217.db2.gz MRPABOMOLDSALU-CYBMUJFWSA-N 1 3 331.338 1.871 20 0 EDADHO CN1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](CN)C1 ZINC000841856646 594966443 /nfs/dbraw/zinc/96/64/43/594966443.db2.gz YXKVZPUSYFQCBP-JCYILVPMSA-N 1 3 337.512 1.068 20 0 EDADHO O[C@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000843061272 595276784 /nfs/dbraw/zinc/27/67/84/595276784.db2.gz DJLGUILQKJZRBY-HUUCEWRRSA-N 1 3 332.366 1.785 20 0 EDADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000843062670 595277514 /nfs/dbraw/zinc/27/75/14/595277514.db2.gz QZWYOHRTZACCOT-ZFWWWQNUSA-N 1 3 348.365 1.665 20 0 EDADHO C[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000844189704 595297381 /nfs/dbraw/zinc/29/73/81/595297381.db2.gz SJSBFGXHKYFBON-PKOBYXMFSA-N 1 3 345.487 1.878 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCOC(C)C)CC2)CC1 ZINC000848108616 595320082 /nfs/dbraw/zinc/32/00/82/595320082.db2.gz RCOIVEOEHNXDEZ-UHFFFAOYSA-N 1 3 341.496 1.656 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NO[C@@H](CO)C(C)C)CC2)CC1 ZINC000848197250 595338607 /nfs/dbraw/zinc/33/86/07/595338607.db2.gz WRTIXPPDAXEVIP-KRWDZBQOSA-N 1 3 341.496 1.247 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000847409293 595413723 /nfs/dbraw/zinc/41/37/23/595413723.db2.gz SCIUECLBYCIGDB-QZTJIDSGSA-N 1 3 331.460 1.384 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCC2(N3CCCCC3)CCN(C)CC2)CCO1 ZINC000849094675 595480737 /nfs/dbraw/zinc/48/07/37/595480737.db2.gz OTELWRHKYGQZGC-INIZCTEOSA-N 1 3 337.512 1.182 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105518 595482668 /nfs/dbraw/zinc/48/26/68/595482668.db2.gz RPYVENJDIBPRSN-SNVBAGLBSA-N 1 3 328.354 1.502 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845411637 595493976 /nfs/dbraw/zinc/49/39/76/595493976.db2.gz RSHGEMKCNUNNLU-CABCVRRESA-N 1 3 336.883 1.826 20 0 EDADHO O=C1[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753446 595526563 /nfs/dbraw/zinc/52/65/63/595526563.db2.gz BEDGVIPMLKRUIC-FUHWJXTLSA-N 1 3 335.492 1.478 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000849500248 595551395 /nfs/dbraw/zinc/55/13/95/595551395.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 1 3 345.491 1.198 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000849500248 595551398 /nfs/dbraw/zinc/55/13/98/595551398.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 1 3 345.491 1.198 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559256 /nfs/dbraw/zinc/55/92/56/595559256.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559262 /nfs/dbraw/zinc/55/92/62/595559262.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 1 3 347.507 1.444 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849582004 595581243 /nfs/dbraw/zinc/58/12/43/595581243.db2.gz KOIMCJVTTYGMQX-IAGOWNOFSA-N 1 3 335.496 1.256 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583480 595581961 /nfs/dbraw/zinc/58/19/61/595581961.db2.gz UFZRTUSNAHHILA-JKSUJKDBSA-N 1 3 333.480 1.056 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870285 595589170 /nfs/dbraw/zinc/58/91/70/595589170.db2.gz CHEMJOOAERZLFE-FMKPAKJESA-N 1 3 344.459 1.363 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000852902091 595606855 /nfs/dbraw/zinc/60/68/55/595606855.db2.gz AIEBVPQCWHIRQB-GOSISDBHSA-N 1 3 329.444 1.179 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)NC2CC2)cc1F ZINC000852906644 595609000 /nfs/dbraw/zinc/60/90/00/595609000.db2.gz MRTZZEMYYUCQMX-WPGHFRTFSA-N 1 3 335.423 1.537 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853052582 595650614 /nfs/dbraw/zinc/65/06/14/595650614.db2.gz WYUFJYSHVMUFAT-HOTGVXAUSA-N 1 3 342.553 1.388 20 0 EDADHO CN1CCC(C[NH2+]C[C@H](O)c2ccccn2)(N2CCCCC2)CC1 ZINC000853100914 595664966 /nfs/dbraw/zinc/66/49/66/595664966.db2.gz PQXAKLXXGZQKJF-SFHVURJKSA-N 1 3 332.492 1.655 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000851778784 595920354 /nfs/dbraw/zinc/92/03/54/595920354.db2.gz IWBZOMGYVXAMDL-HNNXBMFYSA-N 1 3 339.480 1.108 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710968 596304192 /nfs/dbraw/zinc/30/41/92/596304192.db2.gz YLVLQPGCEJFKNN-HHARLNAUSA-N 1 3 337.464 1.449 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870859210 596380115 /nfs/dbraw/zinc/38/01/15/596380115.db2.gz UURRYBWNTDJMFC-VCBZYWHSSA-N 1 3 328.460 1.894 20 0 EDADHO CC(=O)NCC1CCC([NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000865513861 596595851 /nfs/dbraw/zinc/59/58/51/596595851.db2.gz LEGQOTAIIGAUKI-UHFFFAOYSA-N 1 3 348.491 1.807 20 0 EDADHO CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870024751 596714497 /nfs/dbraw/zinc/71/44/97/596714497.db2.gz INYNTOZIUTUFHJ-HZPDHXFCSA-N 1 3 348.491 1.646 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237256 596740128 /nfs/dbraw/zinc/74/01/28/596740128.db2.gz CILKGRKVWBAIPX-XOKHGSTOSA-N 1 3 344.459 1.240 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000866055286 596773492 /nfs/dbraw/zinc/77/34/92/596773492.db2.gz TWHOXYPVUBHRJP-SFHVURJKSA-N 1 3 334.464 1.669 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158703 596817179 /nfs/dbraw/zinc/81/71/79/596817179.db2.gz XENRFIYVLODVGT-RYRKJORJSA-N 1 3 337.508 1.853 20 0 EDADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000872225540 596843808 /nfs/dbraw/zinc/84/38/08/596843808.db2.gz CNPCNPRSSIXMQC-PMACEKPBSA-N 1 3 347.503 1.241 20 0 EDADHO C[C@@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257578 596857409 /nfs/dbraw/zinc/85/74/09/596857409.db2.gz UBYYVDIWJCKUIT-SJWGOKEGSA-N 1 3 333.407 1.796 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccccc1 ZINC000874431971 597075675 /nfs/dbraw/zinc/07/56/75/597075675.db2.gz DYBJAYRSWUUUOZ-KSZLIROESA-N 1 3 330.476 1.695 20 0 EDADHO CN(C)CCN(C)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000876070992 597078566 /nfs/dbraw/zinc/07/85/66/597078566.db2.gz IFRUVZYJVGKEMR-UHFFFAOYSA-N 1 3 332.492 1.853 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2ncccc12 ZINC000876387693 597189621 /nfs/dbraw/zinc/18/96/21/597189621.db2.gz ZGFFWQYXKFFYBH-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO NC(=O)[C@H](C[NH2+]Cc1cc2c(s1)CCNC2)Cc1ccc(F)cc1 ZINC000873211684 597229124 /nfs/dbraw/zinc/22/91/24/597229124.db2.gz RGVUXVQCNDLGBQ-AWEZNQCLSA-N 1 3 347.459 1.967 20 0 EDADHO NCc1cn(-c2cccc(C[NH2+][C@@H]3CCC34CCOCC4)c2)nn1 ZINC000873245113 597237910 /nfs/dbraw/zinc/23/79/10/597237910.db2.gz XDKRRQFIOMTEMY-QGZVFWFLSA-N 1 3 327.432 1.775 20 0 EDADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1 ZINC000873263701 597242333 /nfs/dbraw/zinc/24/23/33/597242333.db2.gz YNUXFCYMTMQHHJ-GDBMZVCRSA-N 1 3 325.478 1.244 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000876723653 597307008 /nfs/dbraw/zinc/30/70/08/597307008.db2.gz WJCMWNXALORVFC-HOTGVXAUSA-N 1 3 333.480 1.720 20 0 EDADHO Clc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000876991381 597406653 /nfs/dbraw/zinc/40/66/53/597406653.db2.gz MVAMJUHVSNZGGG-UHFFFAOYSA-N 1 3 346.866 1.827 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877031075 597417352 /nfs/dbraw/zinc/41/73/52/597417352.db2.gz QNLKXUXZLDXPGF-SUYBPPKGSA-N 1 3 328.416 1.233 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1CNCC2 ZINC000877120777 597437892 /nfs/dbraw/zinc/43/78/92/597437892.db2.gz VEAPTYRNAXMRJF-OAHLLOKOSA-N 1 3 339.443 1.307 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1CNCC2 ZINC000877120777 597437895 /nfs/dbraw/zinc/43/78/95/597437895.db2.gz VEAPTYRNAXMRJF-OAHLLOKOSA-N 1 3 339.443 1.307 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1[nH]nc2c1CNCC2 ZINC000877266472 597483225 /nfs/dbraw/zinc/48/32/25/597483225.db2.gz FLOBIMLIPMIYLM-UHFFFAOYSA-N 1 3 333.480 1.495 20 0 EDADHO C[C@@]12CN(C(=O)[C@]3(F)CCNC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877353438 597499084 /nfs/dbraw/zinc/49/90/84/597499084.db2.gz VAZNITCCGOUIJT-UHOSZYNNSA-N 1 3 331.435 1.669 20 0 EDADHO C[C@@]12CN(C(=O)[C@]3(F)CCNC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877353438 597499086 /nfs/dbraw/zinc/49/90/86/597499086.db2.gz VAZNITCCGOUIJT-UHOSZYNNSA-N 1 3 331.435 1.669 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCCCC1 ZINC000878311496 597594641 /nfs/dbraw/zinc/59/46/41/597594641.db2.gz NISPSUFAMLRNNI-GOSISDBHSA-N 1 3 341.540 1.390 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCCCC1 ZINC000878311496 597594642 /nfs/dbraw/zinc/59/46/42/597594642.db2.gz NISPSUFAMLRNNI-GOSISDBHSA-N 1 3 341.540 1.390 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc3c2CCOC3)C1 ZINC000882985286 597606896 /nfs/dbraw/zinc/60/68/96/597606896.db2.gz QLLMIQKIJVKYIM-MRXNPFEDSA-N 1 3 331.460 1.436 20 0 EDADHO C[NH+]1CCC2(CCN([C@@H]3CCN(C4CCOCC4)C3=O)CC2)CC1 ZINC000879248120 597864398 /nfs/dbraw/zinc/86/43/98/597864398.db2.gz NABUGPYYFJAKFN-QGZVFWFLSA-N 1 3 335.492 1.574 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCOC1 ZINC000883770175 597895003 /nfs/dbraw/zinc/89/50/03/597895003.db2.gz LVOUMVGUDAKADV-ULQDDVLXSA-N 1 3 342.528 1.763 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCOC1 ZINC000883770175 597895005 /nfs/dbraw/zinc/89/50/05/597895005.db2.gz LVOUMVGUDAKADV-ULQDDVLXSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000889332749 597941963 /nfs/dbraw/zinc/94/19/63/597941963.db2.gz KEHPDDKYHBLSIL-LZLYRXPVSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CO)CCC[C@@H]12 ZINC000889332749 597941965 /nfs/dbraw/zinc/94/19/65/597941965.db2.gz KEHPDDKYHBLSIL-LZLYRXPVSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664154 597990531 /nfs/dbraw/zinc/99/05/31/597990531.db2.gz MPIDGNOPYOSKJG-GRDNDAEWSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664154 597990533 /nfs/dbraw/zinc/99/05/33/597990533.db2.gz MPIDGNOPYOSKJG-GRDNDAEWSA-N 1 3 335.496 1.464 20 0 EDADHO COCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000884179385 598016468 /nfs/dbraw/zinc/01/64/68/598016468.db2.gz MYIUZWJUUGYQNX-DLBZAZTESA-N 1 3 335.448 1.312 20 0 EDADHO COCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000884185859 598018442 /nfs/dbraw/zinc/01/84/42/598018442.db2.gz JULPTLXQASQXKM-CRAIPNDOSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000884185859 598018445 /nfs/dbraw/zinc/01/84/45/598018445.db2.gz JULPTLXQASQXKM-CRAIPNDOSA-N 1 3 333.476 1.899 20 0 EDADHO Cc1ncoc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500265 695936325 /nfs/dbraw/zinc/93/63/25/695936325.db2.gz HVMLIUZGWYQKMF-UHFFFAOYSA-N 1 3 335.452 1.341 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCc1cnn(C)c1 ZINC000993759478 696352346 /nfs/dbraw/zinc/35/23/46/696352346.db2.gz LHSNJUIKJXPZCX-YJBOKZPZSA-N 1 3 347.507 1.274 20 0 EDADHO C[NH+](C)CCNC(=S)NC[C@@H](c1cccs1)N1CCCC1 ZINC000916119032 696623246 /nfs/dbraw/zinc/62/32/46/696623246.db2.gz FKMLZNGLYUFLGM-ZDUSSCGKSA-N 1 3 326.535 1.911 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C1CCCC1 ZINC000916979180 696868664 /nfs/dbraw/zinc/86/86/64/696868664.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C1CCCC1 ZINC000916979180 696868667 /nfs/dbraw/zinc/86/86/67/696868667.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040849706 697345151 /nfs/dbraw/zinc/34/51/51/697345151.db2.gz UUFJDBUULUGFLW-SJORKVTESA-N 1 3 337.508 1.678 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000921113069 697515535 /nfs/dbraw/zinc/51/55/35/697515535.db2.gz VZZIWVBIVQTBNY-ZACQAIPSSA-N 1 3 325.497 1.460 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054416 699114761 /nfs/dbraw/zinc/11/47/61/699114761.db2.gz JDQTXZXBHPKZJM-SJKOYZFVSA-N 1 3 334.464 1.570 20 0 EDADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC000939550141 699698958 /nfs/dbraw/zinc/69/89/58/699698958.db2.gz GTMZJHYRPNJSSG-BXUZGUMPSA-N 1 3 346.460 1.249 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)sn1 ZINC000939552264 699701994 /nfs/dbraw/zinc/70/19/94/699701994.db2.gz WRDUIRBMBIICSQ-IUODEOHRSA-N 1 3 334.489 1.484 20 0 EDADHO Cc1cnc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166162 701620091 /nfs/dbraw/zinc/62/00/91/701620091.db2.gz GGZFKOQIWIOJAW-GJZGRUSLSA-N 1 3 348.516 1.922 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2CC)CC1)N(C)C ZINC000940176525 700308757 /nfs/dbraw/zinc/30/87/57/700308757.db2.gz JXZHSXNNPXBRME-OAHLLOKOSA-N 1 3 335.496 1.714 20 0 EDADHO Cn1nccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995058316 700439375 /nfs/dbraw/zinc/43/93/75/700439375.db2.gz XFLWLHLBNLPCOG-HZPDHXFCSA-N 1 3 347.507 1.669 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnnn2CC)CC1)N(C)C ZINC000940337440 700495683 /nfs/dbraw/zinc/49/56/83/700495683.db2.gz MJCBJOIFMMLGCP-HNNXBMFYSA-N 1 3 336.484 1.109 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc3n(n2)CCC3)CC1)N(C)C ZINC000940335193 700515429 /nfs/dbraw/zinc/51/54/29/700515429.db2.gz XSBJGFACJHYDIF-KRWDZBQOSA-N 1 3 347.507 1.640 20 0 EDADHO CCn1ccnc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078640 700671728 /nfs/dbraw/zinc/67/17/28/700671728.db2.gz KLXLTKVLCWZDMC-RDJZCZTQSA-N 1 3 347.507 1.619 20 0 EDADHO Cn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)n1 ZINC000995100967 700890469 /nfs/dbraw/zinc/89/04/69/700890469.db2.gz DUBOHDSZMXNJKQ-HZPDHXFCSA-N 1 3 347.507 1.527 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157491 701221049 /nfs/dbraw/zinc/22/10/49/701221049.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 1 3 339.524 1.850 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157491 701221051 /nfs/dbraw/zinc/22/10/51/701221051.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 1 3 339.524 1.850 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444714 701536286 /nfs/dbraw/zinc/53/62/86/701536286.db2.gz VOPWJZKPAJXVTJ-AEFFLSMTSA-N 1 3 338.540 1.447 20 0 EDADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206528 702150383 /nfs/dbraw/zinc/15/03/83/702150383.db2.gz CNHUWQWQMYQMOT-YJBOKZPZSA-N 1 3 345.487 1.977 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)c1 ZINC001032207437 702190174 /nfs/dbraw/zinc/19/01/74/702190174.db2.gz QZYVQHVECVAWRH-QGZVFWFLSA-N 1 3 345.487 1.836 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886868 702223209 /nfs/dbraw/zinc/22/32/09/702223209.db2.gz OJJHBOJQSMDDCS-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886868 702223213 /nfs/dbraw/zinc/22/32/13/702223213.db2.gz OJJHBOJQSMDDCS-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890457 702231683 /nfs/dbraw/zinc/23/16/83/702231683.db2.gz BBSKQVKSEAAGGO-SJORKVTESA-N 1 3 330.476 1.748 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302691 702694602 /nfs/dbraw/zinc/69/46/02/702694602.db2.gz YVVKXQJEDPZONW-DOTOQJQBSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996356241 702733703 /nfs/dbraw/zinc/73/37/03/702733703.db2.gz QYQNFTYOSZYZKS-HNNXBMFYSA-N 1 3 347.488 1.786 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996501087 702840047 /nfs/dbraw/zinc/84/00/47/702840047.db2.gz JXMBSCFUSDWQLI-RDJZCZTQSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)o1 ZINC000996501087 702840050 /nfs/dbraw/zinc/84/00/50/702840050.db2.gz JXMBSCFUSDWQLI-RDJZCZTQSA-N 1 3 346.475 1.938 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cnns3)CC2)CC[N@@H+]1C ZINC000996601841 702908531 /nfs/dbraw/zinc/90/85/31/702908531.db2.gz AKIDQVHGMNFECV-LSDHHAIUSA-N 1 3 337.493 1.349 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cnns3)CC2)CC[N@H+]1C ZINC000996601841 702908533 /nfs/dbraw/zinc/90/85/33/702908533.db2.gz AKIDQVHGMNFECV-LSDHHAIUSA-N 1 3 337.493 1.349 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)CCC1 ZINC000996667743 702964730 /nfs/dbraw/zinc/96/47/30/702964730.db2.gz XTKPAHJAEGDEHP-MRXNPFEDSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nnsc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996667820 702964975 /nfs/dbraw/zinc/96/49/75/702964975.db2.gz YZDKUZNUVOSDTB-UHFFFAOYSA-N 1 3 337.493 1.411 20 0 EDADHO CCc1onc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997004787 703261970 /nfs/dbraw/zinc/26/19/70/703261970.db2.gz GOKOEHONYFUICI-AWEZNQCLSA-N 1 3 348.491 1.968 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008980 703262216 /nfs/dbraw/zinc/26/22/16/703262216.db2.gz NQOAGZJOBYPXHL-ZBFHGGJFSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008980 703262220 /nfs/dbraw/zinc/26/22/20/703262220.db2.gz NQOAGZJOBYPXHL-ZBFHGGJFSA-N 1 3 333.480 1.181 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006879 703264304 /nfs/dbraw/zinc/26/43/04/703264304.db2.gz HCGPQHHOPDBEGI-WFASDCNBSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006879 703264305 /nfs/dbraw/zinc/26/43/05/703264305.db2.gz HCGPQHHOPDBEGI-WFASDCNBSA-N 1 3 336.505 1.730 20 0 EDADHO C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)O1 ZINC000997116031 703370194 /nfs/dbraw/zinc/37/01/94/703370194.db2.gz RNBGNEORYQYRDT-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO O=C1N[C@H](CN2CCCCC2)C(=O)N1CCCCC[NH+]1CCCC1 ZINC000925339229 703451749 /nfs/dbraw/zinc/45/17/49/703451749.db2.gz WYAJKLLETYIZRU-MRXNPFEDSA-N 1 3 336.480 1.659 20 0 EDADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCN(Cc2cnn(C)c2)CC1 ZINC000997289062 703550529 /nfs/dbraw/zinc/55/05/29/703550529.db2.gz IMPUNBQDXCRQSW-OAHLLOKOSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334036 703562533 /nfs/dbraw/zinc/56/25/33/703562533.db2.gz QQJQTMRRCLWNBC-AEFFLSMTSA-N 1 3 339.524 1.848 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCO)CC1 ZINC000997385981 703655530 /nfs/dbraw/zinc/65/55/30/703655530.db2.gz GJQXCZXVWRBBSM-SJLPKXTDSA-N 1 3 339.524 1.850 20 0 EDADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032530906 704036451 /nfs/dbraw/zinc/03/64/51/704036451.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 1 3 347.503 1.571 20 0 EDADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032530906 704036456 /nfs/dbraw/zinc/03/64/56/704036456.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 1 3 347.503 1.571 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)nn1C ZINC000997824021 704743383 /nfs/dbraw/zinc/74/33/83/704743383.db2.gz PFWAYJSVQQYEBJ-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997841297 704757729 /nfs/dbraw/zinc/75/77/29/704757729.db2.gz SPGIGNNAKZBEDY-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000997841297 704757731 /nfs/dbraw/zinc/75/77/31/704757731.db2.gz SPGIGNNAKZBEDY-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000997854536 704766716 /nfs/dbraw/zinc/76/67/16/704766716.db2.gz FYPAMQFECNYQLU-DLBZAZTESA-N 1 3 339.524 1.970 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998032233 705217274 /nfs/dbraw/zinc/21/72/74/705217274.db2.gz QSNQXJXSTYSQAM-UHFFFAOYSA-N 1 3 333.480 1.090 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083026 705311002 /nfs/dbraw/zinc/31/10/02/705311002.db2.gz SVQMVYJOZQADFF-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998765139 706204486 /nfs/dbraw/zinc/20/44/86/706204486.db2.gz VYQOTFQMMVHXIP-JCYILVPMSA-N 1 3 334.464 1.935 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998765139 706204489 /nfs/dbraw/zinc/20/44/89/706204489.db2.gz VYQOTFQMMVHXIP-JCYILVPMSA-N 1 3 334.464 1.935 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000998866497 706296520 /nfs/dbraw/zinc/29/65/20/706296520.db2.gz KEXUVCNGAKYPOL-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000998866497 706296522 /nfs/dbraw/zinc/29/65/22/706296522.db2.gz KEXUVCNGAKYPOL-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2ccccn2)C1 ZINC000999049191 706469296 /nfs/dbraw/zinc/46/92/96/706469296.db2.gz CXCPGBOTMNGDEN-UHFFFAOYSA-N 1 3 328.460 1.789 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999349202 706861558 /nfs/dbraw/zinc/86/15/58/706861558.db2.gz ROJPLQVCYIQRMC-IRXDYDNUSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999349202 706861560 /nfs/dbraw/zinc/86/15/60/706861560.db2.gz ROJPLQVCYIQRMC-IRXDYDNUSA-N 1 3 347.507 1.479 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999402939 706911344 /nfs/dbraw/zinc/91/13/44/706911344.db2.gz LRMYMSYWGDDXAE-UHFFFAOYSA-N 1 3 348.495 1.109 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999402939 706911347 /nfs/dbraw/zinc/91/13/47/706911347.db2.gz LRMYMSYWGDDXAE-UHFFFAOYSA-N 1 3 348.495 1.109 20 0 EDADHO Cn1cc(CN[C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999403189 706911793 /nfs/dbraw/zinc/91/17/93/706911793.db2.gz VAZXNFPULFPGPG-IRXDYDNUSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1cc(CN[C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000999403189 706911795 /nfs/dbraw/zinc/91/17/95/706911795.db2.gz VAZXNFPULFPGPG-IRXDYDNUSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999409878 706919924 /nfs/dbraw/zinc/91/99/24/706919924.db2.gz UHMWCSHIVIBTPH-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999409878 706919926 /nfs/dbraw/zinc/91/99/26/706919926.db2.gz UHMWCSHIVIBTPH-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193529 /nfs/dbraw/zinc/19/35/29/707193529.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 1 3 337.508 1.535 20 0 EDADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193531 /nfs/dbraw/zinc/19/35/31/707193531.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 1 3 337.508 1.535 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033320991 707517593 /nfs/dbraw/zinc/51/75/93/707517593.db2.gz YXZCWGHMWQOVTF-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033320991 707517597 /nfs/dbraw/zinc/51/75/97/707517597.db2.gz YXZCWGHMWQOVTF-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946764895 707765241 /nfs/dbraw/zinc/76/52/41/707765241.db2.gz DELGPZKUROZJEW-WNRNVDISSA-N 1 3 339.524 1.778 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946764895 707765246 /nfs/dbraw/zinc/76/52/46/707765246.db2.gz DELGPZKUROZJEW-WNRNVDISSA-N 1 3 339.524 1.778 20 0 EDADHO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@H]1CCN(CCCO)C1 ZINC001033416383 707796143 /nfs/dbraw/zinc/79/61/43/707796143.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 1 3 329.460 1.114 20 0 EDADHO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@H]1CCN(CCCO)C1 ZINC001033416383 707796146 /nfs/dbraw/zinc/79/61/46/707796146.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 1 3 329.460 1.114 20 0 EDADHO O=C(NCC1CCN(Cc2ccccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001001410988 708145003 /nfs/dbraw/zinc/14/50/03/708145003.db2.gz CQMFWHVSDLYRGA-LJQANCHMSA-N 1 3 342.487 1.752 20 0 EDADHO CN(C)c1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664276 708445851 /nfs/dbraw/zinc/44/58/51/708445851.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664276 708445853 /nfs/dbraw/zinc/44/58/53/708445853.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 1 3 344.503 1.737 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289560 709713287 /nfs/dbraw/zinc/71/32/87/709713287.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289560 709713288 /nfs/dbraw/zinc/71/32/88/709713288.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO CCn1cc(CCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034525268 710174415 /nfs/dbraw/zinc/17/44/15/710174415.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 1 3 347.507 1.368 20 0 EDADHO CCn1cc(CCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034525268 710174416 /nfs/dbraw/zinc/17/44/16/710174416.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 1 3 347.507 1.368 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526027 710177811 /nfs/dbraw/zinc/17/78/11/710177811.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 1 3 345.487 1.988 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526027 710177815 /nfs/dbraw/zinc/17/78/15/710177815.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 1 3 345.487 1.988 20 0 EDADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333245 710257406 /nfs/dbraw/zinc/25/74/06/710257406.db2.gz QIUBSIBQXFKQPI-RXHUYCNISA-N 1 3 335.492 1.476 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003625209 710454535 /nfs/dbraw/zinc/45/45/35/710454535.db2.gz CNFLYZXQZMNXNJ-VQIMIIECSA-N 1 3 345.487 1.642 20 0 EDADHO COC[C@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628669 710458736 /nfs/dbraw/zinc/45/87/36/710458736.db2.gz SNWIOTMJFUJEQE-KSSFIOAISA-N 1 3 343.487 1.814 20 0 EDADHO Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034737251 710949696 /nfs/dbraw/zinc/94/96/96/710949696.db2.gz HYMSLJFJKKUSDM-XIRDDKMYSA-N 1 3 345.491 1.786 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749245 710956342 /nfs/dbraw/zinc/95/63/42/710956342.db2.gz IXWXCPKXPPZOBU-FPCVCCKLSA-N 1 3 338.496 1.140 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001003974680 711133749 /nfs/dbraw/zinc/13/37/49/711133749.db2.gz IUSOHIIUGLPNKA-INIZCTEOSA-N 1 3 347.507 1.368 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001003974680 711133751 /nfs/dbraw/zinc/13/37/51/711133751.db2.gz IUSOHIIUGLPNKA-INIZCTEOSA-N 1 3 347.507 1.368 20 0 EDADHO COc1cc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388795 711432610 /nfs/dbraw/zinc/43/26/10/711432610.db2.gz FYTUUKZXYQLHJC-RRCSTGOVSA-N 1 3 325.478 1.721 20 0 EDADHO COc1cc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388795 711432612 /nfs/dbraw/zinc/43/26/12/711432612.db2.gz FYTUUKZXYQLHJC-RRCSTGOVSA-N 1 3 325.478 1.721 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004141052 711540241 /nfs/dbraw/zinc/54/02/41/711540241.db2.gz BOJXXVOSAOIFIC-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004141052 711540244 /nfs/dbraw/zinc/54/02/44/711540244.db2.gz BOJXXVOSAOIFIC-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)C1 ZINC001004146555 711557168 /nfs/dbraw/zinc/55/71/68/711557168.db2.gz YGTUHIRYWONCRX-MRXNPFEDSA-N 1 3 343.471 1.749 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)C1 ZINC001004146555 711557170 /nfs/dbraw/zinc/55/71/70/711557170.db2.gz YGTUHIRYWONCRX-MRXNPFEDSA-N 1 3 343.471 1.749 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922466463 711581939 /nfs/dbraw/zinc/58/19/39/711581939.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922466463 711581941 /nfs/dbraw/zinc/58/19/41/711581941.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)C1 ZINC001004543623 711954961 /nfs/dbraw/zinc/95/49/61/711954961.db2.gz QGFUWZQNDCDKKW-QGZVFWFLSA-N 1 3 337.508 1.414 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CCO)CC2)C1 ZINC001004543623 711954962 /nfs/dbraw/zinc/95/49/62/711954962.db2.gz QGFUWZQNDCDKKW-QGZVFWFLSA-N 1 3 337.508 1.414 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004619864 712081038 /nfs/dbraw/zinc/08/10/38/712081038.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 1 3 337.508 1.556 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004619864 712081041 /nfs/dbraw/zinc/08/10/41/712081041.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 1 3 337.508 1.556 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000343015022 539776402 /nfs/dbraw/zinc/77/64/02/539776402.db2.gz PHGYXVKYTHGLFQ-OWCLPIDISA-N 1 3 340.512 1.070 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3c2CCNC3)CCCC1 ZINC000562743718 306307335 /nfs/dbraw/zinc/30/73/35/306307335.db2.gz YNJXYAWQLUWFSA-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000562795530 306309437 /nfs/dbraw/zinc/30/94/37/306309437.db2.gz NBYOTOVPEIMFLQ-AEFFLSMTSA-N 1 3 346.475 1.883 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723773 291045810 /nfs/dbraw/zinc/04/58/10/291045810.db2.gz BBVKOWWUXAESCO-HZPDHXFCSA-N 1 3 339.480 1.237 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056245 /nfs/dbraw/zinc/05/62/45/540056245.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056247 /nfs/dbraw/zinc/05/62/47/540056247.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056252 /nfs/dbraw/zinc/05/62/52/540056252.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 1 3 341.540 1.824 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000173952552 237271730 /nfs/dbraw/zinc/27/17/30/237271730.db2.gz NXXHIQAVDUONPK-UHFFFAOYSA-N 1 3 334.468 1.441 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000564850925 306367542 /nfs/dbraw/zinc/36/75/42/306367542.db2.gz ZEKUGCTWGQLNTD-GPMSIDNRSA-N 1 3 339.524 1.453 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)C[C@@H](C)O1 ZINC000564850925 306367543 /nfs/dbraw/zinc/36/75/43/306367543.db2.gz ZEKUGCTWGQLNTD-GPMSIDNRSA-N 1 3 339.524 1.453 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163196 306377075 /nfs/dbraw/zinc/37/70/75/306377075.db2.gz JQWCKBJBIZCOGF-OALUTQOASA-N 1 3 341.540 1.369 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366488971 296018521 /nfs/dbraw/zinc/01/85/21/296018521.db2.gz VRFZMBMKLINROO-HKUYNNGSSA-N 1 3 349.519 1.964 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ncon3)CC2)CC1 ZINC000565493373 306385264 /nfs/dbraw/zinc/38/52/64/306385264.db2.gz QGPCDCYSWUXUOC-ZDUSSCGKSA-N 1 3 335.452 1.443 20 0 EDADHO CC[NH+](CC)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000063757803 201050726 /nfs/dbraw/zinc/05/07/26/201050726.db2.gz MZKJBPVXEHOPGP-UHFFFAOYSA-N 1 3 332.492 1.392 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000566171406 306401680 /nfs/dbraw/zinc/40/16/80/306401680.db2.gz CEJHDNOLVPWWLW-UHFFFAOYSA-N 1 3 346.435 1.210 20 0 EDADHO COc1ccc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695624 304128275 /nfs/dbraw/zinc/12/82/75/304128275.db2.gz PGGPZAMRASXIKR-WBVHZDCISA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695624 304128277 /nfs/dbraw/zinc/12/82/77/304128277.db2.gz PGGPZAMRASXIKR-WBVHZDCISA-N 1 3 331.460 1.682 20 0 EDADHO CN(c1ccccc1)C1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414695345 304128406 /nfs/dbraw/zinc/12/84/06/304128406.db2.gz AGRVZFUAYWCHON-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)c1 ZINC000414810232 304143627 /nfs/dbraw/zinc/14/36/27/304143627.db2.gz VBICIGDATKQBKE-JGGQBBKZSA-N 1 3 333.432 1.907 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414810232 304143629 /nfs/dbraw/zinc/14/36/29/304143629.db2.gz VBICIGDATKQBKE-JGGQBBKZSA-N 1 3 333.432 1.907 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNC2)C(C)(C)C ZINC000414845655 304147193 /nfs/dbraw/zinc/14/71/93/304147193.db2.gz RHGQBGZSVQIGCE-MRXNPFEDSA-N 1 3 346.475 1.711 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000566845672 306430197 /nfs/dbraw/zinc/43/01/97/306430197.db2.gz HGSCWLCOMHTUHT-UONOGXRCSA-N 1 3 328.526 1.501 20 0 EDADHO COCCC(=O)N1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415078561 304158180 /nfs/dbraw/zinc/15/81/80/304158180.db2.gz IWTCPWPWLVRJEG-DOTOQJQBSA-N 1 3 325.497 1.914 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236803012 139031957 /nfs/dbraw/zinc/03/19/57/139031957.db2.gz RTDFTWNWTCGTOG-UHFFFAOYSA-N 1 3 325.497 1.772 20 0 EDADHO CCC[NH2+]CCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000236909976 139034874 /nfs/dbraw/zinc/03/48/74/139034874.db2.gz ITJHHBDTTYBXAL-UHFFFAOYSA-N 1 3 332.492 1.623 20 0 EDADHO Cc1ccccc1OC[C@H](O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427429 205056132 /nfs/dbraw/zinc/05/61/32/205056132.db2.gz RGAMODZAVMMCHV-LJQANCHMSA-N 1 3 349.519 1.693 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](C)C1 ZINC000415189559 304173011 /nfs/dbraw/zinc/17/30/11/304173011.db2.gz HHFUHKFLUADAHH-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C23CCCN2CCC3)[C@@H](C)C1 ZINC000415189559 304173013 /nfs/dbraw/zinc/17/30/13/304173013.db2.gz HHFUHKFLUADAHH-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194117 304173534 /nfs/dbraw/zinc/17/35/34/304173534.db2.gz KZTDDQIUWPDTDH-MRXNPFEDSA-N 1 3 344.459 1.465 20 0 EDADHO O=C(NC1C[NH2+]C1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237783855 139060214 /nfs/dbraw/zinc/06/02/14/139060214.db2.gz GEECYTLKDYQNOZ-HNNXBMFYSA-N 1 3 327.350 1.529 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245624461 139081175 /nfs/dbraw/zinc/08/11/75/139081175.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245624461 139081176 /nfs/dbraw/zinc/08/11/76/139081176.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245624461 139081177 /nfs/dbraw/zinc/08/11/77/139081177.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 1 3 331.504 1.940 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000246325412 139104292 /nfs/dbraw/zinc/10/42/92/139104292.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246325412 139104293 /nfs/dbraw/zinc/10/42/93/139104293.db2.gz AWIUYUNJLWNMMH-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000247543069 139151855 /nfs/dbraw/zinc/15/18/55/139151855.db2.gz YPCGIEMWRVFKBW-DLBZAZTESA-N 1 3 330.476 1.898 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@@H](C)C1 ZINC000249414164 139192942 /nfs/dbraw/zinc/19/29/42/139192942.db2.gz GCEHECPSDSBQGW-ZWKOTPCHSA-N 1 3 339.524 1.972 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415491315 304224995 /nfs/dbraw/zinc/22/49/95/304224995.db2.gz DFDSLMNHNGGVSD-NVXWUHKLSA-N 1 3 346.475 1.808 20 0 EDADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417016409 251135083 /nfs/dbraw/zinc/13/50/83/251135083.db2.gz GDEIDGXELJTXKS-FGTMMUONSA-N 1 3 328.460 1.684 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(F)F ZINC000417086311 251141141 /nfs/dbraw/zinc/14/11/41/251141141.db2.gz FAHKJDRVKUVOHM-HUUCEWRRSA-N 1 3 340.418 1.933 20 0 EDADHO COCC1(CNC(=O)NC[C@H](C)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000417317212 251155630 /nfs/dbraw/zinc/15/56/30/251155630.db2.gz WBXKTHXWJMHYRI-INIZCTEOSA-N 1 3 340.512 1.422 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000417318141 251157196 /nfs/dbraw/zinc/15/71/96/251157196.db2.gz YAYKDZFBJUHPDK-KSZLIROESA-N 1 3 330.476 1.849 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494120 251179717 /nfs/dbraw/zinc/17/97/17/251179717.db2.gz OYIOWZUGQHBRBL-INMHGKMJSA-N 1 3 336.480 1.731 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417626601 251209023 /nfs/dbraw/zinc/20/90/23/251209023.db2.gz OFPSMXOMVGLZGX-AWEZNQCLSA-N 1 3 328.526 1.645 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000417730694 251247275 /nfs/dbraw/zinc/24/72/75/251247275.db2.gz DWFHQQROAQVIFV-OAHLLOKOSA-N 1 3 330.476 1.337 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417740814 251250985 /nfs/dbraw/zinc/25/09/85/251250985.db2.gz SMMYNHKHJGXUDE-IBGZPJMESA-N 1 3 342.487 1.481 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCSC1 ZINC000417842799 251293940 /nfs/dbraw/zinc/29/39/40/251293940.db2.gz YMHZYAQNSNJEMU-VYDXJSESSA-N 1 3 340.537 1.455 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417803424 251277222 /nfs/dbraw/zinc/27/72/22/251277222.db2.gz FPDFJWIYNMIHIH-GDBMZVCRSA-N 1 3 326.485 1.173 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000417811153 251278470 /nfs/dbraw/zinc/27/84/70/251278470.db2.gz OGXMIPDLODJFSF-HUUCEWRRSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCNC(C)(C)C2)CC1 ZINC000417816140 251281343 /nfs/dbraw/zinc/28/13/43/251281343.db2.gz UFGAWMOAZKANOT-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417875276 251308683 /nfs/dbraw/zinc/30/86/83/251308683.db2.gz NYAQBLKCKUNBSI-WMLDXEAASA-N 1 3 331.464 1.343 20 0 EDADHO C[NH2+]CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418079446 251321172 /nfs/dbraw/zinc/32/11/72/251321172.db2.gz YFRYXVOCERAYPG-QGZVFWFLSA-N 1 3 334.464 1.186 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000418110030 251324341 /nfs/dbraw/zinc/32/43/41/251324341.db2.gz VUJRFBSDADKAQI-QZTJIDSGSA-N 1 3 330.476 1.759 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418709837 251391961 /nfs/dbraw/zinc/39/19/61/251391961.db2.gz VEFVPZIPYBZOHY-RYUDHWBXSA-N 1 3 328.407 1.774 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418727539 251399962 /nfs/dbraw/zinc/39/99/62/251399962.db2.gz MJODCJVMUGJYMD-FUHWJXTLSA-N 1 3 334.464 1.002 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262633308 139291787 /nfs/dbraw/zinc/29/17/87/139291787.db2.gz GEWYVGTXJWZDKS-UHFFFAOYSA-N 1 3 330.476 1.050 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000415593018 304235059 /nfs/dbraw/zinc/23/50/59/304235059.db2.gz JALUEEVKIMUBOB-ARFHVFGLSA-N 1 3 344.459 1.191 20 0 EDADHO O=C(C1CCCCC1)N1CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000422708876 251958329 /nfs/dbraw/zinc/95/83/29/251958329.db2.gz CHIOAYLZHHRAGU-SFHVURJKSA-N 1 3 336.524 1.443 20 0 EDADHO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCCCN1 ZINC000422906903 252017918 /nfs/dbraw/zinc/01/79/18/252017918.db2.gz VZIOYFOGGGTMLE-YESZJQIVSA-N 1 3 327.538 1.705 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902280 252016771 /nfs/dbraw/zinc/01/67/71/252016771.db2.gz MPUXAODWFXYPGI-ZOBUZTSGSA-N 1 3 347.459 1.418 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902280 252016774 /nfs/dbraw/zinc/01/67/74/252016774.db2.gz MPUXAODWFXYPGI-ZOBUZTSGSA-N 1 3 347.459 1.418 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2c(C)nn(C)c2OC)CC[NH2+]CC1 ZINC000423056881 252028694 /nfs/dbraw/zinc/02/86/94/252028694.db2.gz YXGCVZWJTQMVKA-ZDUSSCGKSA-N 1 3 338.452 1.148 20 0 EDADHO C[C@H](NC[C@@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150717 252037970 /nfs/dbraw/zinc/03/79/70/252037970.db2.gz BZRBATNATOVOIB-QWRGUYRKSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CNC1 ZINC000423150717 252037974 /nfs/dbraw/zinc/03/79/74/252037974.db2.gz BZRBATNATOVOIB-QWRGUYRKSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423174668 252043022 /nfs/dbraw/zinc/04/30/22/252043022.db2.gz BTRNIYJWKUPSEZ-CQSZACIVSA-N 1 3 348.882 1.867 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CCN1C ZINC000424149230 252146114 /nfs/dbraw/zinc/14/61/14/252146114.db2.gz VYTRIKJNIOINKB-ILXRZTDVSA-N 1 3 333.480 1.442 20 0 EDADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424171355 252153004 /nfs/dbraw/zinc/15/30/04/252153004.db2.gz KQPCKRDVANYADB-KGLIPLIRSA-N 1 3 329.366 1.943 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246578826 285022909 /nfs/dbraw/zinc/02/29/09/285022909.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246578826 285022911 /nfs/dbraw/zinc/02/29/11/285022911.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 1 3 338.496 1.223 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1CN(C)C ZINC000415754672 304265978 /nfs/dbraw/zinc/26/59/78/304265978.db2.gz ZSJPHRFVWNSAOO-GOEBONIOSA-N 1 3 344.459 1.063 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487275037 255028834 /nfs/dbraw/zinc/02/88/34/255028834.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 1 3 330.476 1.731 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487275037 255028836 /nfs/dbraw/zinc/02/88/36/255028836.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 1 3 330.476 1.731 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496425258 255392309 /nfs/dbraw/zinc/39/23/09/255392309.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 1 3 343.512 1.878 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496425258 255392310 /nfs/dbraw/zinc/39/23/10/255392310.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 1 3 343.512 1.878 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402231 306564365 /nfs/dbraw/zinc/56/43/65/306564365.db2.gz GRGXHSASRNTCQN-RIXVAJLNSA-N 1 3 349.519 1.789 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000571642515 306571124 /nfs/dbraw/zinc/57/11/24/306571124.db2.gz VNGZPANMHVAGRL-SFHVURJKSA-N 1 3 345.468 1.960 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000333127170 141268362 /nfs/dbraw/zinc/26/83/62/141268362.db2.gz BFBZCZWKOZFSQB-CQSZACIVSA-N 1 3 326.510 1.399 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333466936 141321968 /nfs/dbraw/zinc/32/19/68/141321968.db2.gz ACACAXNPXMQJFX-XXQMMXQMSA-N 1 3 342.487 1.886 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333521245 141331066 /nfs/dbraw/zinc/33/10/66/141331066.db2.gz GRPAADYLNCAEOR-FUHWJXTLSA-N 1 3 343.475 1.691 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000333526070 141331802 /nfs/dbraw/zinc/33/18/02/141331802.db2.gz HGOSXBRJEMXYAM-CABCVRRESA-N 1 3 331.464 1.690 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796916 141383502 /nfs/dbraw/zinc/38/35/02/141383502.db2.gz HDQIBXKPIICALS-WMLDXEAASA-N 1 3 338.496 1.399 20 0 EDADHO CC(C)N1C[C@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC000339610820 142092841 /nfs/dbraw/zinc/09/28/41/142092841.db2.gz HMXJDIXEAUSIHD-HOTGVXAUSA-N 1 3 340.512 1.066 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1[C@H](C)CC[C@H]1C ZINC000345010409 143038942 /nfs/dbraw/zinc/03/89/42/143038942.db2.gz NZGNKSJOOISXMX-OAGGEKHMSA-N 1 3 325.497 1.553 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1[C@H](C)CC[C@H]1C ZINC000345010409 143038943 /nfs/dbraw/zinc/03/89/43/143038943.db2.gz NZGNKSJOOISXMX-OAGGEKHMSA-N 1 3 325.497 1.553 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(O)cc1 ZINC000345235128 143067848 /nfs/dbraw/zinc/06/78/48/143067848.db2.gz XLMKWZQWYSYHII-MRXNPFEDSA-N 1 3 349.475 1.646 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccc(O)cc1 ZINC000345235128 143067849 /nfs/dbraw/zinc/06/78/49/143067849.db2.gz XLMKWZQWYSYHII-MRXNPFEDSA-N 1 3 349.475 1.646 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345506785 143099560 /nfs/dbraw/zinc/09/95/60/143099560.db2.gz AJAFMGXUFQKJOG-GOSISDBHSA-N 1 3 340.427 1.698 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345506785 143099561 /nfs/dbraw/zinc/09/95/61/143099561.db2.gz AJAFMGXUFQKJOG-GOSISDBHSA-N 1 3 340.427 1.698 20 0 EDADHO COc1cc(CNC(=O)[C@H](N)CC(F)F)ccc1OCC[NH+](C)C ZINC000345713631 143124642 /nfs/dbraw/zinc/12/46/42/143124642.db2.gz IKKIAXUBQMLBIP-GFCCVEGCSA-N 1 3 345.390 1.234 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275596 /nfs/dbraw/zinc/27/55/96/143275596.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275597 /nfs/dbraw/zinc/27/55/97/143275597.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1(C)C ZINC000347176532 143291289 /nfs/dbraw/zinc/29/12/89/143291289.db2.gz WHINKTAWIVAVPN-HRCADAONSA-N 1 3 327.513 1.872 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318442 /nfs/dbraw/zinc/31/84/42/143318442.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 1 3 331.504 1.943 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)N(C)C1 ZINC000347582577 143337393 /nfs/dbraw/zinc/33/73/93/143337393.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)N(C)C1 ZINC000347582577 143337394 /nfs/dbraw/zinc/33/73/94/143337394.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 1 3 326.485 1.076 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416840831 304350522 /nfs/dbraw/zinc/35/05/22/304350522.db2.gz GGSDAXRSPRKNDT-YJBOKZPZSA-N 1 3 346.475 1.741 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416842999 304351120 /nfs/dbraw/zinc/35/11/20/304351120.db2.gz OFLJBRRCFZBJFZ-FGTMMUONSA-N 1 3 328.460 1.512 20 0 EDADHO Cn1ccnc(N2CCC(NC3CC[NH+](C(C)(C)C)CC3)CC2)c1=O ZINC000369887651 155219842 /nfs/dbraw/zinc/21/98/42/155219842.db2.gz KTPWKMQLSCUORB-UHFFFAOYSA-N 1 3 347.507 1.602 20 0 EDADHO COCC(C)(C)N1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000424340877 292201208 /nfs/dbraw/zinc/20/12/08/292201208.db2.gz ZAQJYAPHIXAUMP-KRWDZBQOSA-N 1 3 335.492 1.780 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCN(C)CC1 ZINC000416959979 304355135 /nfs/dbraw/zinc/35/51/35/304355135.db2.gz QIPTUZRSXUNUKO-IRXDYDNUSA-N 1 3 339.528 1.075 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971825 304357776 /nfs/dbraw/zinc/35/77/76/304357776.db2.gz FCLIKGHUXUWPCI-GDBMZVCRSA-N 1 3 334.464 1.506 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC2=CC[NH2+]CC2)c1 ZINC000416972331 304358056 /nfs/dbraw/zinc/35/80/56/304358056.db2.gz FZRRNJJYCVTGIF-UHFFFAOYSA-N 1 3 332.448 1.346 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCN1CCSCC1 ZINC000422713195 296626199 /nfs/dbraw/zinc/62/61/99/296626199.db2.gz OZRPOXAGCATGPL-WMZOPIPTSA-N 1 3 333.501 1.881 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416975736 304359280 /nfs/dbraw/zinc/35/92/80/304359280.db2.gz ZUJGCASFCQCDPM-UHFFFAOYSA-N 1 3 346.475 1.736 20 0 EDADHO C[C@@H](O)C[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000355218438 150169516 /nfs/dbraw/zinc/16/95/16/150169516.db2.gz ACYDLJHJQIELOA-LSDHHAIUSA-N 1 3 340.512 1.251 20 0 EDADHO CN1CCN(c2ncc(CNCC3(C)CC[NH+](C)CC3)cn2)CC1 ZINC000355765653 150392263 /nfs/dbraw/zinc/39/22/63/150392263.db2.gz KGUMWYMPYLMOGC-UHFFFAOYSA-N 1 3 332.496 1.050 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1(C)CC[NH+](C)CC1 ZINC000355777680 150396823 /nfs/dbraw/zinc/39/68/23/150396823.db2.gz SSANXKYTBFRZBU-UHFFFAOYSA-N 1 3 335.496 1.387 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000357360601 151007440 /nfs/dbraw/zinc/00/74/40/151007440.db2.gz HCNXAUITENSUTG-AWEZNQCLSA-N 1 3 325.403 1.997 20 0 EDADHO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358046477 151246485 /nfs/dbraw/zinc/24/64/85/151246485.db2.gz LCBNGIXBOMQCAJ-HNNXBMFYSA-N 1 3 346.475 1.126 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000422773564 286259078 /nfs/dbraw/zinc/25/90/78/286259078.db2.gz YRHSLHFFJVSDMN-NVXWUHKLSA-N 1 3 333.476 1.779 20 0 EDADHO COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCC[C@@H]1CN)CC2 ZINC000422773564 286259079 /nfs/dbraw/zinc/25/90/79/286259079.db2.gz YRHSLHFFJVSDMN-NVXWUHKLSA-N 1 3 333.476 1.779 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000417119694 304374349 /nfs/dbraw/zinc/37/43/49/304374349.db2.gz UEEZWPLOYWFIDK-GJZGRUSLSA-N 1 3 340.537 1.740 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCO1 ZINC000417121823 304374682 /nfs/dbraw/zinc/37/46/82/304374682.db2.gz XFTAMSJSFLXICK-IRXDYDNUSA-N 1 3 332.448 1.020 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)C2CC2)[C@@H](C)C1 ZINC000360855898 152230802 /nfs/dbraw/zinc/23/08/02/152230802.db2.gz FVUYXIJSRUUDLK-RDJZCZTQSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)C2CC2)[C@@H](C)C1 ZINC000360855898 152230803 /nfs/dbraw/zinc/23/08/03/152230803.db2.gz FVUYXIJSRUUDLK-RDJZCZTQSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160191 304379044 /nfs/dbraw/zinc/37/90/44/304379044.db2.gz YCYILUHFYHLQGJ-QGZVFWFLSA-N 1 3 347.507 1.625 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417194905 304383044 /nfs/dbraw/zinc/38/30/44/304383044.db2.gz NKEMMUVPICYDMP-OKYOBFRVSA-N 1 3 344.503 1.928 20 0 EDADHO COCCNCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417223732 304385407 /nfs/dbraw/zinc/38/54/07/304385407.db2.gz SRIAZKXDKVQVRH-HUUCEWRRSA-N 1 3 328.501 1.278 20 0 EDADHO CO[C@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417234161 304386657 /nfs/dbraw/zinc/38/66/57/304386657.db2.gz UMHRIRFMQRCYJF-IRXDYDNUSA-N 1 3 334.464 1.266 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417303904 304391929 /nfs/dbraw/zinc/39/19/29/304391929.db2.gz YPKRGYAICBYKLV-SFHVURJKSA-N 1 3 348.491 1.877 20 0 EDADHO CCC[N@@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000369594417 155102640 /nfs/dbraw/zinc/10/26/40/155102640.db2.gz YIIMIIVAOCTNOE-UHFFFAOYSA-N 1 3 337.508 1.966 20 0 EDADHO CCC[N@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000369594417 155102643 /nfs/dbraw/zinc/10/26/43/155102643.db2.gz YIIMIIVAOCTNOE-UHFFFAOYSA-N 1 3 337.508 1.966 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)NC[C@@H]2CCCN2C)C1 ZINC000372038873 156220711 /nfs/dbraw/zinc/22/07/11/156220711.db2.gz XHZCIPXLTKNKHT-HNNXBMFYSA-N 1 3 344.459 1.214 20 0 EDADHO CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NC[C@@H]2CCCN2C)C1 ZINC000372038873 156220716 /nfs/dbraw/zinc/22/07/16/156220716.db2.gz XHZCIPXLTKNKHT-HNNXBMFYSA-N 1 3 344.459 1.214 20 0 EDADHO CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NC[C@@H]2CCCN2C)C1 ZINC000372038873 156220718 /nfs/dbraw/zinc/22/07/18/156220718.db2.gz XHZCIPXLTKNKHT-HNNXBMFYSA-N 1 3 344.459 1.214 20 0 EDADHO CN1CCN(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000374206784 157193683 /nfs/dbraw/zinc/19/36/83/157193683.db2.gz URJJRMFPTPNISL-MRXNPFEDSA-N 1 3 345.491 1.650 20 0 EDADHO CCOCC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000375942330 157696035 /nfs/dbraw/zinc/69/60/35/157696035.db2.gz PEYATOSIKFHEGP-BQFCYCMXSA-N 1 3 328.497 1.595 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000378322082 158140749 /nfs/dbraw/zinc/14/07/49/158140749.db2.gz ZWIIVTNYXKESQM-YLFCFFPRSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000378322082 158140752 /nfs/dbraw/zinc/14/07/52/158140752.db2.gz ZWIIVTNYXKESQM-YLFCFFPRSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)N(C)C ZINC000378322080 158140783 /nfs/dbraw/zinc/14/07/83/158140783.db2.gz ZWIIVTNYXKESQM-QBPKDAKJSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)N(C)C ZINC000378322080 158140785 /nfs/dbraw/zinc/14/07/85/158140785.db2.gz ZWIIVTNYXKESQM-QBPKDAKJSA-N 1 3 325.497 1.722 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)ccn1 ZINC000417949261 304436484 /nfs/dbraw/zinc/43/64/84/304436484.db2.gz KCYLQVMAIDYDRM-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352141038 162008848 /nfs/dbraw/zinc/00/88/48/162008848.db2.gz PWVKYGQMUNPACW-GOEBONIOSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC000353873686 296888179 /nfs/dbraw/zinc/88/81/79/296888179.db2.gz WRGJUBWBJOSCLE-QRQLOZEOSA-N 1 3 348.535 1.345 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100628 287267556 /nfs/dbraw/zinc/26/75/56/287267556.db2.gz SDCNMDYKROYYSE-GDBMZVCRSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100628 287267557 /nfs/dbraw/zinc/26/75/57/287267557.db2.gz SDCNMDYKROYYSE-GDBMZVCRSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CCN(C)CC1 ZINC000075182236 287275911 /nfs/dbraw/zinc/27/59/11/287275911.db2.gz JMCVADDLSDCNKP-IBGZPJMESA-N 1 3 346.519 1.750 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077591723 287288852 /nfs/dbraw/zinc/28/88/52/287288852.db2.gz KUIMKYKDFPFAFT-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077591723 287288854 /nfs/dbraw/zinc/28/88/54/287288854.db2.gz KUIMKYKDFPFAFT-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H](NC(=O)NCCCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000119379705 287352475 /nfs/dbraw/zinc/35/24/75/287352475.db2.gz QIDZUCMSAADJDN-INIZCTEOSA-N 1 3 341.544 1.290 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329851 304481042 /nfs/dbraw/zinc/48/10/42/304481042.db2.gz BPIKEFQJUKYGJX-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375702 304487793 /nfs/dbraw/zinc/48/77/93/304487793.db2.gz HULLSRPOJDNNRF-IAGOWNOFSA-N 1 3 340.512 1.286 20 0 EDADHO CCOC1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665762890 452340263 /nfs/dbraw/zinc/34/02/63/452340263.db2.gz SUSOUUMHRPSCEO-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CCOC1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665762890 452340273 /nfs/dbraw/zinc/34/02/73/452340273.db2.gz SUSOUUMHRPSCEO-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1CCC(O)CC1 ZINC000665763628 452345489 /nfs/dbraw/zinc/34/54/89/452345489.db2.gz HNPLVBYOIYSOGQ-FHERZECASA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1CCC(O)CC1 ZINC000665763628 452345499 /nfs/dbraw/zinc/34/54/99/452345499.db2.gz HNPLVBYOIYSOGQ-FHERZECASA-N 1 3 328.501 1.109 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000130637660 287496334 /nfs/dbraw/zinc/49/63/34/287496334.db2.gz BVSGXOIKDKQTEU-INIZCTEOSA-N 1 3 331.460 1.829 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681471 268182901 /nfs/dbraw/zinc/18/29/01/268182901.db2.gz XAEBTVOJBNGVRG-GOSISDBHSA-N 1 3 345.487 1.908 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1N(C)C ZINC000275466086 268346881 /nfs/dbraw/zinc/34/68/81/268346881.db2.gz WKWRKBAJXDSUEA-PBHICJAKSA-N 1 3 346.475 1.138 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1[NH+](C)C ZINC000275466086 268346883 /nfs/dbraw/zinc/34/68/83/268346883.db2.gz WKWRKBAJXDSUEA-PBHICJAKSA-N 1 3 346.475 1.138 20 0 EDADHO CN(CCO)C1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000275635413 268366441 /nfs/dbraw/zinc/36/64/41/268366441.db2.gz OZCQTTZQHBKONQ-UHFFFAOYSA-N 1 3 345.487 1.350 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274350473 273087143 /nfs/dbraw/zinc/08/71/43/273087143.db2.gz KKCVJXURINHIOQ-PKOBYXMFSA-N 1 3 331.504 1.943 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000277056957 273179156 /nfs/dbraw/zinc/17/91/56/273179156.db2.gz CVMBAMSIHXXUSP-QGZVFWFLSA-N 1 3 346.475 1.819 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000277056957 273179158 /nfs/dbraw/zinc/17/91/58/273179158.db2.gz CVMBAMSIHXXUSP-QGZVFWFLSA-N 1 3 346.475 1.819 20 0 EDADHO COC[C@@H](CC1CCOCC1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658001884 452674773 /nfs/dbraw/zinc/67/47/73/452674773.db2.gz HIPFXKMIMKPABS-QGZVFWFLSA-N 1 3 327.513 1.434 20 0 EDADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423058366 274038088 /nfs/dbraw/zinc/03/80/88/274038088.db2.gz BYCINJFQNFJOGZ-FCGDIQPGSA-N 1 3 334.460 1.890 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000411465238 276359657 /nfs/dbraw/zinc/35/96/57/276359657.db2.gz WATFIZBBBUWCEF-XLIONFOSSA-N 1 3 345.487 1.954 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283285 277059031 /nfs/dbraw/zinc/05/90/31/277059031.db2.gz UIQZLKOVSDPLKT-SJORKVTESA-N 1 3 347.459 1.090 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283285 277059033 /nfs/dbraw/zinc/05/90/33/277059033.db2.gz UIQZLKOVSDPLKT-SJORKVTESA-N 1 3 347.459 1.090 20 0 EDADHO COCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000376702946 277199972 /nfs/dbraw/zinc/19/99/72/277199972.db2.gz XZQSODHZCSUSHM-UHFFFAOYSA-N 1 3 338.496 1.413 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361720086 277229366 /nfs/dbraw/zinc/22/93/66/277229366.db2.gz XFRXVJFHNZQXLS-CZUORRHYSA-N 1 3 325.478 1.483 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361720086 277229367 /nfs/dbraw/zinc/22/93/67/277229367.db2.gz XFRXVJFHNZQXLS-CZUORRHYSA-N 1 3 325.478 1.483 20 0 EDADHO COC[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000183423093 277596410 /nfs/dbraw/zinc/59/64/10/277596410.db2.gz HQJCTYSDTIZPMJ-IBGZPJMESA-N 1 3 345.487 1.913 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000288577806 288518862 /nfs/dbraw/zinc/51/88/62/288518862.db2.gz IDFBWMZRVUQHJH-HNNXBMFYSA-N 1 3 346.431 1.422 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]c2nccnc12 ZINC000291585638 289114760 /nfs/dbraw/zinc/11/47/60/289114760.db2.gz PHVPDQCCMSRLNI-MRXNPFEDSA-N 1 3 330.480 1.806 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]c2nccnc12 ZINC000291585638 289114764 /nfs/dbraw/zinc/11/47/64/289114764.db2.gz PHVPDQCCMSRLNI-MRXNPFEDSA-N 1 3 330.480 1.806 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030669 289243628 /nfs/dbraw/zinc/24/36/28/289243628.db2.gz GTNZYINUMSVZOU-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376799403 289346833 /nfs/dbraw/zinc/34/68/33/289346833.db2.gz QEBZLGGCWKWXQO-QAPCUYQASA-N 1 3 336.524 1.534 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000420303303 289352319 /nfs/dbraw/zinc/35/23/19/289352319.db2.gz CRZBAZOUQKOTIB-FUHWJXTLSA-N 1 3 332.492 1.466 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000354851090 294239064 /nfs/dbraw/zinc/23/90/64/294239064.db2.gz IKUQQVJYQDGUMI-XMTFNYHQSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000354851090 294239066 /nfs/dbraw/zinc/23/90/66/294239066.db2.gz IKUQQVJYQDGUMI-XMTFNYHQSA-N 1 3 335.471 1.549 20 0 EDADHO COc1cc(CNC(=O)CC2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000165550680 294985297 /nfs/dbraw/zinc/98/52/97/294985297.db2.gz VASMQDUZFWJFTC-UHFFFAOYSA-N 1 3 349.475 1.642 20 0 EDADHO COc1cc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc(OC)c1OC ZINC000269062724 295023344 /nfs/dbraw/zinc/02/33/44/295023344.db2.gz UPWDULIQAUBRPV-ZDUSSCGKSA-N 1 3 338.448 1.820 20 0 EDADHO O=C1CCCN1CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756895 304626112 /nfs/dbraw/zinc/62/61/12/304626112.db2.gz CPLQHYUDIAUMSZ-LPHOPBHVSA-N 1 3 329.444 1.844 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000456169588 447314264 /nfs/dbraw/zinc/31/42/64/447314264.db2.gz PMQUNFDDSGUYRY-MJGOQNOKSA-N 1 3 342.487 1.361 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000456169588 447314267 /nfs/dbraw/zinc/31/42/67/447314267.db2.gz PMQUNFDDSGUYRY-MJGOQNOKSA-N 1 3 342.487 1.361 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293593140 302989277 /nfs/dbraw/zinc/98/92/77/302989277.db2.gz KMSGMVSRCANCBX-UHFFFAOYSA-N 1 3 333.432 1.342 20 0 EDADHO C[NH+](C)CCn1nccc1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000294231958 303080877 /nfs/dbraw/zinc/08/08/77/303080877.db2.gz WWMDTPFAMAACRO-MRXNPFEDSA-N 1 3 325.432 1.596 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000295803879 303269481 /nfs/dbraw/zinc/26/94/81/303269481.db2.gz SXBYIBXZERNDOO-GFCCVEGCSA-N 1 3 325.403 1.996 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)n1 ZINC000377743055 447332315 /nfs/dbraw/zinc/33/23/15/447332315.db2.gz LHEHCHVZVLBLHZ-MRXNPFEDSA-N 1 3 325.432 1.596 20 0 EDADHO CO[C@@]1(C)C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795917 303915392 /nfs/dbraw/zinc/91/53/92/303915392.db2.gz KBIYJSHXSDPVTH-YJBOKZPZSA-N 1 3 325.497 1.769 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2CNC)CC1 ZINC000414883180 447342742 /nfs/dbraw/zinc/34/27/42/447342742.db2.gz MWLSQAWVWOEUAL-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCN1CCSCC1 ZINC000422713192 304858654 /nfs/dbraw/zinc/85/86/54/304858654.db2.gz OZRPOXAGCATGPL-AEFFLSMTSA-N 1 3 333.501 1.881 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423249830 304890593 /nfs/dbraw/zinc/89/05/93/304890593.db2.gz UHBGXYOAUNWQNV-UHFFFAOYSA-N 1 3 348.491 1.165 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000430623340 305059842 /nfs/dbraw/zinc/05/98/42/305059842.db2.gz MUKYRFLBYSHSRS-LLVKDONJSA-N 1 3 338.839 1.438 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430753562 305064139 /nfs/dbraw/zinc/06/41/39/305064139.db2.gz IYVPLCWDXDKXPT-OAHLLOKOSA-N 1 3 331.460 1.666 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430753562 305064140 /nfs/dbraw/zinc/06/41/40/305064140.db2.gz IYVPLCWDXDKXPT-OAHLLOKOSA-N 1 3 331.460 1.666 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000442144590 305226186 /nfs/dbraw/zinc/22/61/86/305226186.db2.gz IGPIPDKLUJEOMP-YOEHRIQHSA-N 1 3 346.475 1.328 20 0 EDADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063823 305234404 /nfs/dbraw/zinc/23/44/04/305234404.db2.gz XGUNZRQVXXRRTE-KRWDZBQOSA-N 1 3 333.476 1.941 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000414898074 447349099 /nfs/dbraw/zinc/34/90/99/447349099.db2.gz FVZHOHOIAHMIKM-SJORKVTESA-N 1 3 344.459 1.430 20 0 EDADHO CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CCN(C)CC1 ZINC000446575225 305267191 /nfs/dbraw/zinc/26/71/91/305267191.db2.gz IRTVTRDMMWKYFK-INIZCTEOSA-N 1 3 339.528 1.042 20 0 EDADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cccc21 ZINC000447723988 305284478 /nfs/dbraw/zinc/28/44/78/305284478.db2.gz SMVOHRPLABVWEN-IAGOWNOFSA-N 1 3 344.459 1.400 20 0 EDADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cccc21 ZINC000447723988 305284479 /nfs/dbraw/zinc/28/44/79/305284479.db2.gz SMVOHRPLABVWEN-IAGOWNOFSA-N 1 3 344.459 1.400 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)COC1CCC([NH3+])CC1 ZINC000449151724 305308127 /nfs/dbraw/zinc/30/81/27/305308127.db2.gz YISKDKIBZXNAHA-UHFFFAOYSA-N 1 3 339.505 1.925 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000519827491 305776082 /nfs/dbraw/zinc/77/60/82/305776082.db2.gz UWYUVIDUOYUHHF-GASCZTMLSA-N 1 3 330.432 1.060 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000519829490 305776294 /nfs/dbraw/zinc/77/62/94/305776294.db2.gz WNRROUNIJIDGCZ-UHFFFAOYSA-N 1 3 331.464 1.552 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000521869725 305794107 /nfs/dbraw/zinc/79/41/07/305794107.db2.gz OBEHVDDOVYEQFK-AWEZNQCLSA-N 1 3 331.460 1.400 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)[C@H]2CN3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026479 /nfs/dbraw/zinc/02/64/79/306026479.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 1 3 342.487 1.652 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)[C@H]2CN3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026480 /nfs/dbraw/zinc/02/64/80/306026480.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 1 3 342.487 1.652 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000541519341 306046464 /nfs/dbraw/zinc/04/64/64/306046464.db2.gz LROVSLLPCVCPMK-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784264 306058361 /nfs/dbraw/zinc/05/83/61/306058361.db2.gz AOFPKXSMTLJHKC-GOSISDBHSA-N 1 3 345.491 1.146 20 0 EDADHO CC(C)O[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000545944950 306087931 /nfs/dbraw/zinc/08/79/31/306087931.db2.gz BZAYUELCRKKKHL-CVEARBPZSA-N 1 3 342.528 1.713 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297988 306098035 /nfs/dbraw/zinc/09/80/35/306098035.db2.gz MQBGDPJHYXQXKM-LJQANCHMSA-N 1 3 346.475 1.148 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000548785126 306138090 /nfs/dbraw/zinc/13/80/90/306138090.db2.gz BNGBGYDJPOIYTB-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO CC[C@H](COC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553477517 306185377 /nfs/dbraw/zinc/18/53/77/306185377.db2.gz BWUIDDWEERUAAA-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000557139677 306224829 /nfs/dbraw/zinc/22/48/29/306224829.db2.gz NTMILMGYLPBXGU-QZTJIDSGSA-N 1 3 346.475 1.501 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000557222004 306226847 /nfs/dbraw/zinc/22/68/47/306226847.db2.gz RLLISACAYMJBHG-SOLBZPMBSA-N 1 3 328.460 1.514 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383767 /nfs/dbraw/zinc/38/37/67/447383767.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 1 3 328.504 1.390 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383776 /nfs/dbraw/zinc/38/37/76/447383776.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 1 3 328.504 1.390 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000458506396 447394517 /nfs/dbraw/zinc/39/45/17/447394517.db2.gz LQBDNYGIWVJUFU-MRXNPFEDSA-N 1 3 328.526 1.597 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105135016 441237146 /nfs/dbraw/zinc/23/71/46/441237146.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000105135016 441237149 /nfs/dbraw/zinc/23/71/49/441237149.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC1 ZINC000378531037 447439406 /nfs/dbraw/zinc/43/94/06/447439406.db2.gz SQUXYFNHVYWELP-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CCOc1c(Cl)cc(CNCCN2CC[NH2+]CC2)cc1OC ZINC000106958509 441394443 /nfs/dbraw/zinc/39/44/43/441394443.db2.gz WKOBADYJVMSALX-UHFFFAOYSA-N 1 3 327.856 1.742 20 0 EDADHO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)N1CCCCC1 ZINC000114416098 441655037 /nfs/dbraw/zinc/65/50/37/441655037.db2.gz VTWDGAGEKAJSDE-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccn1 ZINC000136920656 441731789 /nfs/dbraw/zinc/73/17/89/441731789.db2.gz RPNAGRGCABQMJE-MRXNPFEDSA-N 1 3 334.464 1.578 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408030 441737691 /nfs/dbraw/zinc/73/76/91/441737691.db2.gz DQTZMMAPRSYNMZ-SJORKVTESA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408030 441737699 /nfs/dbraw/zinc/73/76/99/441737699.db2.gz DQTZMMAPRSYNMZ-SJORKVTESA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093135324 441859150 /nfs/dbraw/zinc/85/91/50/441859150.db2.gz QHVPDJLBAAEDIC-OAHLLOKOSA-N 1 3 333.480 1.937 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000174852156 441975677 /nfs/dbraw/zinc/97/56/77/441975677.db2.gz GUMDOYGCNGMXFS-KRWDZBQOSA-N 1 3 344.503 1.852 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CNCCO2)CC1 ZINC000167793952 442222524 /nfs/dbraw/zinc/22/25/24/442222524.db2.gz QPJNIFVKMIVXQJ-QAPCUYQASA-N 1 3 331.460 1.707 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176563172 442234505 /nfs/dbraw/zinc/23/45/05/442234505.db2.gz CXRTUWLMYQZISU-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000153737365 442299688 /nfs/dbraw/zinc/29/96/88/442299688.db2.gz QGORNEJDDAAASH-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000153737365 442299690 /nfs/dbraw/zinc/29/96/90/442299690.db2.gz QGORNEJDDAAASH-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000171194301 442325628 /nfs/dbraw/zinc/32/56/28/442325628.db2.gz GQYCRQUNGNWZHD-QGZVFWFLSA-N 1 3 342.528 1.764 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1C ZINC000155152081 442378296 /nfs/dbraw/zinc/37/82/96/442378296.db2.gz JWVGTWQPTYQUQS-IEBWSBKVSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1C ZINC000155152081 442378298 /nfs/dbraw/zinc/37/82/98/442378298.db2.gz JWVGTWQPTYQUQS-IEBWSBKVSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1C ZINC000155152081 442378303 /nfs/dbraw/zinc/37/83/03/442378303.db2.gz JWVGTWQPTYQUQS-IEBWSBKVSA-N 1 3 347.503 1.970 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000178068683 442405513 /nfs/dbraw/zinc/40/55/13/442405513.db2.gz KCSFYVJJDZXAEG-SQNIBIBYSA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000178068683 442405516 /nfs/dbraw/zinc/40/55/16/442405516.db2.gz KCSFYVJJDZXAEG-SQNIBIBYSA-N 1 3 327.513 1.434 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000178392234 442429539 /nfs/dbraw/zinc/42/95/39/442429539.db2.gz GAJJBAIMGLSNDV-HNNXBMFYSA-N 1 3 331.526 1.642 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000178392234 442429536 /nfs/dbraw/zinc/42/95/36/442429536.db2.gz GAJJBAIMGLSNDV-HNNXBMFYSA-N 1 3 331.526 1.642 20 0 EDADHO C[C@@H]1CN(CCN2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000191522765 442458068 /nfs/dbraw/zinc/45/80/68/442458068.db2.gz NEJOSURATRCUJT-QGZVFWFLSA-N 1 3 325.497 1.284 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000191511311 442456474 /nfs/dbraw/zinc/45/64/74/442456474.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 1 3 338.540 1.057 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000191511311 442456477 /nfs/dbraw/zinc/45/64/77/442456477.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 1 3 338.540 1.057 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495723 442545929 /nfs/dbraw/zinc/54/59/29/442545929.db2.gz RFWCOOUIFJNTKS-INIZCTEOSA-N 1 3 335.492 1.765 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186589685 442567979 /nfs/dbraw/zinc/56/79/79/442567979.db2.gz LTKSFBCOIIGPGV-CYBMUJFWSA-N 1 3 341.297 1.960 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[C@H](OC)CN2)cc1 ZINC000187901790 442697345 /nfs/dbraw/zinc/69/73/45/442697345.db2.gz SQSHKGQBRCTBIQ-DLBZAZTESA-N 1 3 335.448 1.723 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000193548152 442752582 /nfs/dbraw/zinc/75/25/82/442752582.db2.gz GABDTIWERJCHAB-HKUYNNGSSA-N 1 3 344.503 1.764 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000265518778 442805936 /nfs/dbraw/zinc/80/59/36/442805936.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000265518778 442805938 /nfs/dbraw/zinc/80/59/38/442805938.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000246372900 442776865 /nfs/dbraw/zinc/77/68/65/442776865.db2.gz GQKDKGXWXSSVRC-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246372900 442776869 /nfs/dbraw/zinc/77/68/69/442776869.db2.gz GQKDKGXWXSSVRC-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246384296 442777985 /nfs/dbraw/zinc/77/79/85/442777985.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246384296 442777990 /nfs/dbraw/zinc/77/79/90/442777990.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 1 3 326.485 1.079 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2CCOC)[C@@H](C)C1 ZINC000246419263 442780668 /nfs/dbraw/zinc/78/06/68/442780668.db2.gz LSJOJNBBBGRDHQ-ULQDDVLXSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCN2CCOC)[C@@H](C)C1 ZINC000246419263 442780672 /nfs/dbraw/zinc/78/06/72/442780672.db2.gz LSJOJNBBBGRDHQ-ULQDDVLXSA-N 1 3 340.512 1.469 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604891 442842939 /nfs/dbraw/zinc/84/29/39/442842939.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604891 442842945 /nfs/dbraw/zinc/84/29/45/442842945.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000266454927 443132027 /nfs/dbraw/zinc/13/20/27/443132027.db2.gz CIHFROLJZNAFFN-KRWDZBQOSA-N 1 3 336.480 1.557 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000266454927 443132030 /nfs/dbraw/zinc/13/20/30/443132030.db2.gz CIHFROLJZNAFFN-KRWDZBQOSA-N 1 3 336.480 1.557 20 0 EDADHO C[C@@H]1C[C@H](NCCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793079 443109642 /nfs/dbraw/zinc/10/96/42/443109642.db2.gz CLUMAJTVYXMWSQ-IEBWSBKVSA-N 1 3 345.487 1.878 20 0 EDADHO C[C@@H]1C[C@H](NCCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793079 443109645 /nfs/dbraw/zinc/10/96/45/443109645.db2.gz CLUMAJTVYXMWSQ-IEBWSBKVSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CNC3CC3)cc2)CC1 ZINC000237166161 443161799 /nfs/dbraw/zinc/16/17/99/443161799.db2.gz SNRPLCISNFMSFU-UHFFFAOYSA-N 1 3 345.447 1.593 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414204410 319319444 /nfs/dbraw/zinc/31/94/44/319319444.db2.gz WHVJYVDIDXJLLS-HXUWFJFHSA-N 1 3 343.515 1.930 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673027 319339477 /nfs/dbraw/zinc/33/94/77/319339477.db2.gz BKUDBAIYFDBVJA-IAGOWNOFSA-N 1 3 330.476 1.631 20 0 EDADHO C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676409 319340406 /nfs/dbraw/zinc/34/04/06/319340406.db2.gz HRRCPPHMUFFDAF-KRWDZBQOSA-N 1 3 344.503 1.916 20 0 EDADHO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676409 319340409 /nfs/dbraw/zinc/34/04/09/319340409.db2.gz HRRCPPHMUFFDAF-KRWDZBQOSA-N 1 3 344.503 1.916 20 0 EDADHO COc1ccc(Br)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414775462 319343934 /nfs/dbraw/zinc/34/39/34/319343934.db2.gz CSLQFGWBDPDTKZ-UHFFFAOYSA-N 1 3 342.281 1.843 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999996 319388772 /nfs/dbraw/zinc/38/87/72/319388772.db2.gz XJARSLCDYIJUDF-OLZOCXBDSA-N 1 3 332.370 1.868 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280027 443265322 /nfs/dbraw/zinc/26/53/22/443265322.db2.gz DWIKYIWFTRGEAH-FQEVSTJZSA-N 1 3 344.503 1.440 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419302122 319583248 /nfs/dbraw/zinc/58/32/48/319583248.db2.gz FVRNMQBDCWZXRI-HNNXBMFYSA-N 1 3 338.496 1.143 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264663974 443365780 /nfs/dbraw/zinc/36/57/80/443365780.db2.gz WMYNXLMAGUTIIF-AATRIKPKSA-N 1 3 344.503 1.558 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422947461 319739896 /nfs/dbraw/zinc/73/98/96/319739896.db2.gz QEBIPEPKNUCHAP-KURKYZTESA-N 1 3 331.460 1.935 20 0 EDADHO COc1ccccc1C(=O)C(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000274225263 443599614 /nfs/dbraw/zinc/59/96/14/443599614.db2.gz ORKDLXVHJKKVLU-UHFFFAOYSA-N 1 3 349.475 1.610 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000265353148 443613950 /nfs/dbraw/zinc/61/39/50/443613950.db2.gz KPHSHUBEGBSYQA-GOSISDBHSA-N 1 3 331.460 1.685 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000433167159 319973211 /nfs/dbraw/zinc/97/32/11/319973211.db2.gz HXLXQUZDZBNRDK-ZDUSSCGKSA-N 1 3 334.420 1.326 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000440634153 320076326 /nfs/dbraw/zinc/07/63/26/320076326.db2.gz CIHSTYSFVIAICA-DLBZAZTESA-N 1 3 327.513 1.970 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCCC1 ZINC000457441381 320325946 /nfs/dbraw/zinc/32/59/46/320325946.db2.gz QOFIINNSHIBHAJ-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000457452374 320326489 /nfs/dbraw/zinc/32/64/89/320326489.db2.gz HLZAFABZMHBPMU-INIZCTEOSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747172 320334799 /nfs/dbraw/zinc/33/47/99/320334799.db2.gz DOCKPEDLRGPEBT-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1)C1CCN(C)CC1 ZINC000280341405 443698227 /nfs/dbraw/zinc/69/82/27/443698227.db2.gz SBLDAQDVDNAAGO-HXUWFJFHSA-N 1 3 344.503 1.914 20 0 EDADHO CN(c1ccccc1C[N@H+]1CC[C@@](C)(C(N)=O)C1)C1CCN(C)CC1 ZINC000280341405 443698229 /nfs/dbraw/zinc/69/82/29/443698229.db2.gz SBLDAQDVDNAAGO-HXUWFJFHSA-N 1 3 344.503 1.914 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCCO ZINC000276469571 443717543 /nfs/dbraw/zinc/71/75/43/443717543.db2.gz YRHUUDZPQDQUIG-QGZVFWFLSA-N 1 3 347.503 1.860 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)N(C)C ZINC000298739002 443854017 /nfs/dbraw/zinc/85/40/17/443854017.db2.gz XWTZAHZZVQIBBQ-OKZBNKHCSA-N 1 3 333.476 1.326 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)N(C)C ZINC000298739002 443854019 /nfs/dbraw/zinc/85/40/19/443854019.db2.gz XWTZAHZZVQIBBQ-OKZBNKHCSA-N 1 3 333.476 1.326 20 0 EDADHO COc1ccccc1COC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000564859822 321152417 /nfs/dbraw/zinc/15/24/17/321152417.db2.gz KCNPWAQXGGXUOS-FBVQUNGASA-N 1 3 334.460 1.788 20 0 EDADHO COc1ccccc1COC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564859822 321152418 /nfs/dbraw/zinc/15/24/18/321152418.db2.gz KCNPWAQXGGXUOS-FBVQUNGASA-N 1 3 334.460 1.788 20 0 EDADHO CN(C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000564889471 321154953 /nfs/dbraw/zinc/15/49/53/321154953.db2.gz CQQJUVPXZBPWKE-ADKAHSJRSA-N 1 3 333.476 1.562 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000565040911 321165836 /nfs/dbraw/zinc/16/58/36/321165836.db2.gz MAVSHURDEZDPEV-INIZCTEOSA-N 1 3 332.492 1.062 20 0 EDADHO COCCN(C)C[C@@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000565608823 321193889 /nfs/dbraw/zinc/19/38/89/321193889.db2.gz YHSWCQNBWCQYQI-QGZVFWFLSA-N 1 3 343.556 1.758 20 0 EDADHO COC(=O)C1CC[NH+](CCCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC000565960112 321208108 /nfs/dbraw/zinc/20/81/08/321208108.db2.gz XFGPSYIZTCFXFV-UHFFFAOYSA-N 1 3 339.480 1.110 20 0 EDADHO CN1CCN(CCCNC(=O)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000566165425 321220438 /nfs/dbraw/zinc/22/04/38/321220438.db2.gz PCQGZAUXBLTGKV-GOSISDBHSA-N 1 3 332.492 1.610 20 0 EDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041217 321239714 /nfs/dbraw/zinc/23/97/14/321239714.db2.gz ANXWNSLBEBWDIS-WBVHZDCISA-N 1 3 338.540 1.591 20 0 EDADHO CCC[C@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568661066 321301176 /nfs/dbraw/zinc/30/11/76/321301176.db2.gz FDLLNBHEUFWZTG-KRWDZBQOSA-N 1 3 325.497 1.460 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@H]1c1cccc(F)c1 ZINC000570928871 321364126 /nfs/dbraw/zinc/36/41/26/321364126.db2.gz SLCTYJAFWYHKEU-UFYCRDLUSA-N 1 3 343.446 1.703 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cnn(C)c3)CC2)CC1 ZINC000571548018 321391171 /nfs/dbraw/zinc/39/11/71/321391171.db2.gz GHOIGBDVSGMDQZ-OAHLLOKOSA-N 1 3 347.507 1.794 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CC[C@H]1c1ccc(F)cc1 ZINC000571789675 321400842 /nfs/dbraw/zinc/40/08/42/321400842.db2.gz JGCRGMQWQCITIU-OWCLPIDISA-N 1 3 337.464 1.564 20 0 EDADHO C[C@@H](C[NH3+])C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000285796232 444109650 /nfs/dbraw/zinc/10/96/50/444109650.db2.gz PPVNZAUOTRWNSS-LBPRGKRZSA-N 1 3 333.436 1.436 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289614385 444181268 /nfs/dbraw/zinc/18/12/68/444181268.db2.gz VYECEXDQCAZEGL-MXASKKJJSA-N 1 3 328.412 1.986 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289614385 444181270 /nfs/dbraw/zinc/18/12/70/444181270.db2.gz VYECEXDQCAZEGL-MXASKKJJSA-N 1 3 328.412 1.986 20 0 EDADHO C[N@H+](C[C@H](O)CN1CCN(c2ccnc3ccccc32)CC1)C1CC1 ZINC000297749698 444328815 /nfs/dbraw/zinc/32/88/15/444328815.db2.gz UEUDKQWKRJXUGU-KRWDZBQOSA-N 1 3 340.471 1.812 20 0 EDADHO C[N@@H+](C[C@H](O)CN1CCN(c2ccnc3ccccc32)CC1)C1CC1 ZINC000297749698 444328817 /nfs/dbraw/zinc/32/88/17/444328817.db2.gz UEUDKQWKRJXUGU-KRWDZBQOSA-N 1 3 340.471 1.812 20 0 EDADHO CC(C)(CNC(=O)N1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000332056619 444499072 /nfs/dbraw/zinc/49/90/72/444499072.db2.gz VZCWHUBSIYGDRA-UHFFFAOYSA-N 1 3 330.476 1.956 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079129 322007192 /nfs/dbraw/zinc/00/71/92/322007192.db2.gz JMGQKDRKSHJGDJ-ICSRJNTNSA-N 1 3 342.487 1.896 20 0 EDADHO N[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCC1 ZINC000581368871 322169778 /nfs/dbraw/zinc/16/97/78/322169778.db2.gz ODTKSIPCLWGCRG-GOSISDBHSA-N 1 3 345.491 1.710 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccn(C)n3)CC2)CC1 ZINC000581953084 322238323 /nfs/dbraw/zinc/23/83/23/322238323.db2.gz DVJYMMOURCVRAD-OAHLLOKOSA-N 1 3 347.507 1.794 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@@H]2C1 ZINC000333322052 444657436 /nfs/dbraw/zinc/65/74/36/444657436.db2.gz NDOZBGJOHVLCDN-CZUORRHYSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@@H]2C1 ZINC000333322052 444657438 /nfs/dbraw/zinc/65/74/38/444657438.db2.gz NDOZBGJOHVLCDN-CZUORRHYSA-N 1 3 330.432 1.727 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663482 /nfs/dbraw/zinc/66/34/82/444663482.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 1 3 337.508 1.532 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663488 /nfs/dbraw/zinc/66/34/88/444663488.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 1 3 337.508 1.532 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341112570 444679975 /nfs/dbraw/zinc/67/99/75/444679975.db2.gz MLMUSXQGUCZXMC-OAHLLOKOSA-N 1 3 342.528 1.905 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341112570 444679979 /nfs/dbraw/zinc/67/99/79/444679979.db2.gz MLMUSXQGUCZXMC-OAHLLOKOSA-N 1 3 342.528 1.905 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342342602 444642640 /nfs/dbraw/zinc/64/26/40/444642640.db2.gz DXAFTPBZVAEXBO-NVXWUHKLSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054545 444753635 /nfs/dbraw/zinc/75/36/35/444753635.db2.gz JCUREKSRPYDARF-SQNIBIBYSA-N 1 3 340.556 1.743 20 0 EDADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000341296958 444766152 /nfs/dbraw/zinc/76/61/52/444766152.db2.gz YBSXJXUUNSCXCF-INIZCTEOSA-N 1 3 333.476 1.170 20 0 EDADHO CCN(C)CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341428076 444824801 /nfs/dbraw/zinc/82/48/01/444824801.db2.gz INNNFHNRUPAFCZ-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000337464634 445092347 /nfs/dbraw/zinc/09/23/47/445092347.db2.gz LYNPYFYKWKOFRZ-SFHVURJKSA-N 1 3 326.529 1.055 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000337464634 445092348 /nfs/dbraw/zinc/09/23/48/445092348.db2.gz LYNPYFYKWKOFRZ-SFHVURJKSA-N 1 3 326.529 1.055 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207336 /nfs/dbraw/zinc/20/73/36/445207336.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 1 3 349.519 1.819 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207337 /nfs/dbraw/zinc/20/73/37/445207337.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 1 3 349.519 1.819 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000343358566 445208984 /nfs/dbraw/zinc/20/89/84/445208984.db2.gz DHCHANUSTHSOBM-MOPGFXCFSA-N 1 3 348.535 1.347 20 0 EDADHO CC(C)[C@H](C(=O)NCCCN1CCC(O)CC1)[NH+]1CCCCC1 ZINC000346270921 445210036 /nfs/dbraw/zinc/21/00/36/445210036.db2.gz KKYIGQMQRMLLDI-QGZVFWFLSA-N 1 3 325.497 1.460 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCCN2C)cn1 ZINC000348108522 445271386 /nfs/dbraw/zinc/27/13/86/445271386.db2.gz SVPAKNIVIWBDOD-SQNIBIBYSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CC[C@@H]2CCCN2C)cn1 ZINC000348108522 445271391 /nfs/dbraw/zinc/27/13/91/445271391.db2.gz SVPAKNIVIWBDOD-SQNIBIBYSA-N 1 3 337.487 1.749 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348126556 445282393 /nfs/dbraw/zinc/28/23/93/445282393.db2.gz JYOPTJCVHUPPRV-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348126556 445282397 /nfs/dbraw/zinc/28/23/97/445282397.db2.gz JYOPTJCVHUPPRV-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000351822911 445333803 /nfs/dbraw/zinc/33/38/03/445333803.db2.gz PNBBRCSFXKCHOF-QZTJIDSGSA-N 1 3 344.503 1.785 20 0 EDADHO CCN1CCN(CCC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433099 /nfs/dbraw/zinc/43/30/99/445433099.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 1 3 338.540 1.785 20 0 EDADHO CCN1CCN(CCC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433103 /nfs/dbraw/zinc/43/31/03/445433103.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 1 3 338.540 1.785 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)CCOC1C[NH2+]C1)c1ccsc1 ZINC000348987860 445466727 /nfs/dbraw/zinc/46/67/27/445466727.db2.gz ABWBRVHBZMAGMH-HNNXBMFYSA-N 1 3 325.478 1.626 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000362703283 445508708 /nfs/dbraw/zinc/50/87/08/445508708.db2.gz JFOLENUCFPGQFM-RDJZCZTQSA-N 1 3 340.512 1.467 20 0 EDADHO CN1CCC(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000362696277 445504777 /nfs/dbraw/zinc/50/47/77/445504777.db2.gz XGJWOGCQHSQRAH-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000360121667 445578694 /nfs/dbraw/zinc/57/86/94/445578694.db2.gz AHMYEJYWILRJSK-HZPDHXFCSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000360121667 445578700 /nfs/dbraw/zinc/57/87/00/445578700.db2.gz AHMYEJYWILRJSK-HZPDHXFCSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514767 445626831 /nfs/dbraw/zinc/62/68/31/445626831.db2.gz AIBNWVANGNIHRE-KBAYOESNSA-N 1 3 330.476 1.710 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631240 /nfs/dbraw/zinc/63/12/40/445631240.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 1 3 336.524 1.392 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000353424837 445595751 /nfs/dbraw/zinc/59/57/51/445595751.db2.gz GGXFSWZBSLRDRY-TWMKSMIVSA-N 1 3 325.497 1.626 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000349787355 445678827 /nfs/dbraw/zinc/67/88/27/445678827.db2.gz UDPVLWQRUFCHFE-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358691353 445719787 /nfs/dbraw/zinc/71/97/87/445719787.db2.gz YPJHNBITPRZXAR-MJGOQNOKSA-N 1 3 348.491 1.218 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358691353 445719788 /nfs/dbraw/zinc/71/97/88/445719788.db2.gz YPJHNBITPRZXAR-MJGOQNOKSA-N 1 3 348.491 1.218 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356240138 445693526 /nfs/dbraw/zinc/69/35/26/445693526.db2.gz ZXMNAPFAGFKFFT-MRXNPFEDSA-N 1 3 333.480 1.727 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356240138 445693529 /nfs/dbraw/zinc/69/35/29/445693529.db2.gz ZXMNAPFAGFKFFT-MRXNPFEDSA-N 1 3 333.480 1.727 20 0 EDADHO C[NH+]1CCC(CCNC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000363168567 445705739 /nfs/dbraw/zinc/70/57/39/445705739.db2.gz AOAPGFIQCMPMJE-UHFFFAOYSA-N 1 3 347.507 1.831 20 0 EDADHO CSC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695737 445722863 /nfs/dbraw/zinc/72/28/63/445722863.db2.gz PUDLKYHZDABBHS-CABCVRRESA-N 1 3 342.553 1.795 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000356503743 445827029 /nfs/dbraw/zinc/82/70/29/445827029.db2.gz AFBSXFVVMIOIFK-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363390963 445784635 /nfs/dbraw/zinc/78/46/35/445784635.db2.gz XXQUBXTYOTZNPN-IAGOWNOFSA-N 1 3 338.496 1.461 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390710 445785253 /nfs/dbraw/zinc/78/52/53/445785253.db2.gz VNOMFKFEBSVVEK-CABCVRRESA-N 1 3 338.496 1.458 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356451114 445797144 /nfs/dbraw/zinc/79/71/44/445797144.db2.gz MGODHDROSQWXKU-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356451114 445797145 /nfs/dbraw/zinc/79/71/45/445797145.db2.gz MGODHDROSQWXKU-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000364875583 445963643 /nfs/dbraw/zinc/96/36/43/445963643.db2.gz AHDXOSGYVOYUHW-DOTOQJQBSA-N 1 3 333.480 1.711 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000361832893 445990170 /nfs/dbraw/zinc/99/01/70/445990170.db2.gz KSRKPNGDBUTALO-QGZVFWFLSA-N 1 3 334.464 1.843 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000583142519 326011467 /nfs/dbraw/zinc/01/14/67/326011467.db2.gz BBVUXMSJDRAUNO-GOSISDBHSA-N 1 3 331.460 1.475 20 0 EDADHO COC[C@H]1CCCCN(CC(O)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172452 446072137 /nfs/dbraw/zinc/07/21/37/446072137.db2.gz JBNOZIRSINOGMD-ROUUACIJSA-N 1 3 342.524 1.844 20 0 EDADHO COC[C@H]1CCCCN(CC(O)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172452 446072142 /nfs/dbraw/zinc/07/21/42/446072142.db2.gz JBNOZIRSINOGMD-ROUUACIJSA-N 1 3 342.524 1.844 20 0 EDADHO CC1(C)NC(=O)N(CCCN(CCC[NH3+])Cc2ccccc2)C1=O ZINC000359284151 446120173 /nfs/dbraw/zinc/12/01/73/446120173.db2.gz LDZGWUUEAYZWIR-UHFFFAOYSA-N 1 3 332.448 1.558 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000373254694 446125634 /nfs/dbraw/zinc/12/56/34/446125634.db2.gz GLBSHHNVPUNBOB-UHFFFAOYSA-N 1 3 344.503 1.635 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000365482169 446227474 /nfs/dbraw/zinc/22/74/74/446227474.db2.gz QFTBWDGOLAAYKU-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270279 /nfs/dbraw/zinc/27/02/79/446270279.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270281 /nfs/dbraw/zinc/27/02/81/446270281.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 1 3 343.487 1.552 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000417309660 446343578 /nfs/dbraw/zinc/34/35/78/446343578.db2.gz JCBKABJSHTXJDG-LSDHHAIUSA-N 1 3 340.418 1.894 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417365792 446350071 /nfs/dbraw/zinc/35/00/71/446350071.db2.gz MNNQJNDLEWFLRV-HUUCEWRRSA-N 1 3 336.505 1.963 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000374152327 446354816 /nfs/dbraw/zinc/35/48/16/446354816.db2.gz XCXGTZHAZPXNTD-UHFFFAOYSA-N 1 3 348.495 2.099 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514279 446359810 /nfs/dbraw/zinc/35/98/10/446359810.db2.gz IZYUZEISZPQQHL-FUHWJXTLSA-N 1 3 348.491 1.686 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516837 446360701 /nfs/dbraw/zinc/36/07/01/446360701.db2.gz OVOSNLJKCULPKO-IAGOWNOFSA-N 1 3 334.464 1.357 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417525665 446361706 /nfs/dbraw/zinc/36/17/06/446361706.db2.gz LWYLSVWADZTHAU-KRWDZBQOSA-N 1 3 336.480 1.452 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417589102 446365433 /nfs/dbraw/zinc/36/54/33/446365433.db2.gz VGJPVXPYRRDEOP-OAHLLOKOSA-N 1 3 340.512 1.694 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417848951 446375035 /nfs/dbraw/zinc/37/50/35/446375035.db2.gz WAIYCJIXQLAIIE-SJLPKXTDSA-N 1 3 348.491 1.575 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417916910 446384221 /nfs/dbraw/zinc/38/42/21/446384221.db2.gz WJXYWPQUZAHTRR-KRWDZBQOSA-N 1 3 346.519 1.752 20 0 EDADHO CC[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423130224 446435112 /nfs/dbraw/zinc/43/51/12/446435112.db2.gz GFNORDDHXXBFIC-AQNXPRMDSA-N 1 3 331.504 1.916 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418179401 446448568 /nfs/dbraw/zinc/44/85/68/446448568.db2.gz ZQXIQFVZVKYJNI-AWEZNQCLSA-N 1 3 334.464 1.554 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)ccc1C[NH+](C)C ZINC000411303349 446481364 /nfs/dbraw/zinc/48/13/64/446481364.db2.gz QSXPCCSYFSLWEN-PBHICJAKSA-N 1 3 346.475 1.404 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1CN(C)C ZINC000411303349 446481371 /nfs/dbraw/zinc/48/13/71/446481371.db2.gz QSXPCCSYFSLWEN-PBHICJAKSA-N 1 3 346.475 1.404 20 0 EDADHO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262394 446469003 /nfs/dbraw/zinc/46/90/03/446469003.db2.gz MIGLRJPEZTWGAR-WBMJQRKESA-N 1 3 325.478 1.892 20 0 EDADHO CC(C)(C)c1nc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000420309838 446474063 /nfs/dbraw/zinc/47/40/63/446474063.db2.gz FIZAAYNRORZGJI-OAHLLOKOSA-N 1 3 335.496 1.874 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000423313134 446484399 /nfs/dbraw/zinc/48/43/99/446484399.db2.gz FDVHVZNOXSAFKP-SFHVURJKSA-N 1 3 341.459 1.799 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)ccc1OCCN(C)C ZINC000423337018 446495059 /nfs/dbraw/zinc/49/50/59/446495059.db2.gz HAVSSCYXHLSKAV-ZBFHGGJFSA-N 1 3 349.475 1.640 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418358029 446513233 /nfs/dbraw/zinc/51/32/33/446513233.db2.gz DIDBNWHQNCIPAH-KRWDZBQOSA-N 1 3 340.512 1.646 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324005 446498526 /nfs/dbraw/zinc/49/85/26/446498526.db2.gz GKWBJVFIYNWTHJ-SJORKVTESA-N 1 3 331.464 1.297 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc1CN(C)C ZINC000411400041 446519284 /nfs/dbraw/zinc/51/92/84/446519284.db2.gz STESFGBJRCJHQQ-UHFFFAOYSA-N 1 3 334.464 1.499 20 0 EDADHO COC(=O)c1cc2cc(CN3CC[C@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345906 446519817 /nfs/dbraw/zinc/51/98/17/446519817.db2.gz BWLNAYYLFFUKMS-INIZCTEOSA-N 1 3 343.427 1.699 20 0 EDADHO N[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423409284 446521249 /nfs/dbraw/zinc/52/12/49/446521249.db2.gz BPBKBMDFHVIVEW-FUHWJXTLSA-N 1 3 337.508 1.901 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418403933 446532600 /nfs/dbraw/zinc/53/26/00/446532600.db2.gz IUBVGOJXDVVWGN-SCTDSRPQSA-N 1 3 346.475 1.050 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000418457097 446550992 /nfs/dbraw/zinc/55/09/92/446550992.db2.gz GMKHKMUNDXSNQJ-MAUKXSAKSA-N 1 3 348.491 1.598 20 0 EDADHO COCC[NH2+]CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418501532 446568184 /nfs/dbraw/zinc/56/81/84/446568184.db2.gz RNSSRAKLLSAQCX-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000418537158 446584522 /nfs/dbraw/zinc/58/45/22/446584522.db2.gz JMTJDWFDKZVFIP-IEBWSBKVSA-N 1 3 348.491 1.987 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@H]2c2ccccc2)CC1 ZINC000420413170 446586813 /nfs/dbraw/zinc/58/68/13/446586813.db2.gz STKVKYTZYBANCR-IBGZPJMESA-N 1 3 344.503 1.622 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418550991 446590342 /nfs/dbraw/zinc/59/03/42/446590342.db2.gz UHROJURXDDFHRR-SFHVURJKSA-N 1 3 333.480 1.545 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418628077 446621822 /nfs/dbraw/zinc/62/18/22/446621822.db2.gz OMPUIVGKZYQCTB-VQIMIIECSA-N 1 3 330.476 1.902 20 0 EDADHO COC[C@]1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CCC[NH2+]1 ZINC000418649991 446633430 /nfs/dbraw/zinc/63/34/30/446633430.db2.gz FIBYNFHQLPMFJU-GOSISDBHSA-N 1 3 340.512 1.518 20 0 EDADHO Cc1cc(NC(=O)C2C[NH2+]C2)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000368167722 446682228 /nfs/dbraw/zinc/68/22/28/446682228.db2.gz NADCWPBDUBZDOL-QGZVFWFLSA-N 1 3 339.443 1.796 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423895217 446749191 /nfs/dbraw/zinc/74/91/91/446749191.db2.gz FSHDSEUEPLUFMQ-KZNAEPCWSA-N 1 3 331.460 1.473 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423895217 446749195 /nfs/dbraw/zinc/74/91/95/446749195.db2.gz FSHDSEUEPLUFMQ-KZNAEPCWSA-N 1 3 331.460 1.473 20 0 EDADHO Cn1cc(C(=O)NC[C@@H](N)c2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424078087 446841288 /nfs/dbraw/zinc/84/12/88/446841288.db2.gz PMCLEJIXVASSEA-GDBMZVCRSA-N 1 3 327.432 1.317 20 0 EDADHO CN(C)CCn1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)n1 ZINC000424155181 446859761 /nfs/dbraw/zinc/85/97/61/446859761.db2.gz MIJCVKUJZWDUEM-INIZCTEOSA-N 1 3 335.496 2.461 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424141257 446860006 /nfs/dbraw/zinc/86/00/06/446860006.db2.gz CINYXSDNPOLTQS-KFWWJZLASA-N 1 3 334.468 1.195 20 0 EDADHO CC[C@H](C)[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286534 446867452 /nfs/dbraw/zinc/86/74/52/446867452.db2.gz HEGQDYDSOLNLLF-OFQRWUPVSA-N 1 3 339.480 1.154 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424453241 446874089 /nfs/dbraw/zinc/87/40/89/446874089.db2.gz JYEXXNAUGMUTLR-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424453241 446874092 /nfs/dbraw/zinc/87/40/92/446874092.db2.gz JYEXXNAUGMUTLR-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457982 446876955 /nfs/dbraw/zinc/87/69/55/446876955.db2.gz SFYKDHXAVNWLAZ-QGZVFWFLSA-N 1 3 346.475 1.773 20 0 EDADHO CCc1nc(CN2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC000368471880 446883629 /nfs/dbraw/zinc/88/36/29/446883629.db2.gz UPIUZBMSJUEOOF-HNSVSWJLSA-N 1 3 333.480 1.811 20 0 EDADHO CCc1nc(CN2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000368471880 446883638 /nfs/dbraw/zinc/88/36/38/446883638.db2.gz UPIUZBMSJUEOOF-HNSVSWJLSA-N 1 3 333.480 1.811 20 0 EDADHO CN1CCN(CCNC(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000442441220 446895230 /nfs/dbraw/zinc/89/52/30/446895230.db2.gz DXBVDQXLVVZNKN-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO O[C@@H]1CN(Cc2cccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787439 447105904 /nfs/dbraw/zinc/10/59/04/447105904.db2.gz VXQGFBBQEPVBIM-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@@H]1CN(Cc2cccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787439 447105910 /nfs/dbraw/zinc/10/59/10/447105910.db2.gz VXQGFBBQEPVBIM-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000413224241 447078270 /nfs/dbraw/zinc/07/82/70/447078270.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 1 3 344.503 1.944 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000413224241 447078278 /nfs/dbraw/zinc/07/82/78/447078278.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 1 3 344.503 1.944 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444170478 447086059 /nfs/dbraw/zinc/08/60/59/447086059.db2.gz VCYTVCHLICPSKH-ICSRJNTNSA-N 1 3 327.472 1.809 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569282 447149734 /nfs/dbraw/zinc/14/97/34/447149734.db2.gz BHZIAHYXBFSIQH-RDJZCZTQSA-N 1 3 329.492 1.893 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589045 447284182 /nfs/dbraw/zinc/28/41/82/447284182.db2.gz OTZJAYQGAKUKOK-CVEARBPZSA-N 1 3 338.496 1.001 20 0 EDADHO COC[C@@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981852 447455037 /nfs/dbraw/zinc/45/50/37/447455037.db2.gz PRVVKRUTGJNSPA-PKOBYXMFSA-N 1 3 331.460 1.345 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000494711242 447456262 /nfs/dbraw/zinc/45/62/62/447456262.db2.gz NWQCGJNJSIHIED-KBPBESRZSA-N 1 3 327.469 1.479 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000426650994 447485854 /nfs/dbraw/zinc/48/58/54/447485854.db2.gz IUQDBBNGHCYJKL-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@H]1COCCO1 ZINC000450476493 447502428 /nfs/dbraw/zinc/50/24/28/447502428.db2.gz QAXYVGONKIDHIX-LJQANCHMSA-N 1 3 339.524 1.530 20 0 EDADHO C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985263 447508147 /nfs/dbraw/zinc/50/81/47/447508147.db2.gz XNUMFTPEJIZBKF-YJBOKZPZSA-N 1 3 331.460 1.249 20 0 EDADHO CC1(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CNC1 ZINC000390947832 447508358 /nfs/dbraw/zinc/50/83/58/447508358.db2.gz NQTMXXBFGVDLQE-AYHJJNSGSA-N 1 3 343.471 1.677 20 0 EDADHO CC1(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CNC1 ZINC000390947832 447508363 /nfs/dbraw/zinc/50/83/63/447508363.db2.gz NQTMXXBFGVDLQE-AYHJJNSGSA-N 1 3 343.471 1.677 20 0 EDADHO CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000391493218 447514710 /nfs/dbraw/zinc/51/47/10/447514710.db2.gz FPMXCJBRVZMSDO-KLHKWILBSA-N 1 3 326.481 1.792 20 0 EDADHO CCOC(=O)C1CCC(O)(CNC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000391493218 447514713 /nfs/dbraw/zinc/51/47/13/447514713.db2.gz FPMXCJBRVZMSDO-KLHKWILBSA-N 1 3 326.481 1.792 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458767957 447474861 /nfs/dbraw/zinc/47/48/61/447474861.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458767957 447474863 /nfs/dbraw/zinc/47/48/63/447474863.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N(CC)CC ZINC000427094099 447543217 /nfs/dbraw/zinc/54/32/17/447543217.db2.gz PFWWBPBJTQWKQP-KZNAEPCWSA-N 1 3 339.524 1.991 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980875 447554797 /nfs/dbraw/zinc/55/47/97/447554797.db2.gz XDALJDQYXRMCPX-RYQLBKOJSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980875 447554800 /nfs/dbraw/zinc/55/48/00/447554800.db2.gz XDALJDQYXRMCPX-RYQLBKOJSA-N 1 3 334.460 1.801 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000459163406 447602401 /nfs/dbraw/zinc/60/24/01/447602401.db2.gz LABVKXVQYHFRPU-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000459163406 447602406 /nfs/dbraw/zinc/60/24/06/447602406.db2.gz LABVKXVQYHFRPU-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H]1CN(CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633653 447603818 /nfs/dbraw/zinc/60/38/18/447603818.db2.gz HBKAEOZBDDDVQI-KRWDZBQOSA-N 1 3 339.528 1.138 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000416832237 447693711 /nfs/dbraw/zinc/69/37/11/447693711.db2.gz VXDVEWOWVCHRMN-WMLDXEAASA-N 1 3 334.464 1.726 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416851949 447697183 /nfs/dbraw/zinc/69/71/83/447697183.db2.gz LXJRGLPBQSHAMP-RHSMWYFYSA-N 1 3 334.464 1.739 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420223024 447676154 /nfs/dbraw/zinc/67/61/54/447676154.db2.gz ZFOFUAXABQRUIZ-AWEZNQCLSA-N 1 3 347.511 1.904 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000458118055 447722739 /nfs/dbraw/zinc/72/27/39/447722739.db2.gz VCEFMKGPKNSXSL-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@@H]1COCCN1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720531 447728054 /nfs/dbraw/zinc/72/80/54/447728054.db2.gz SQGGIQTVMCMVBD-AYBZRNKSSA-N 1 3 331.460 1.553 20 0 EDADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000459704966 447745061 /nfs/dbraw/zinc/74/50/61/447745061.db2.gz UHIIBYUHJBVXFL-IPQPSQTFSA-N 1 3 341.459 1.424 20 0 EDADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000459704966 447745066 /nfs/dbraw/zinc/74/50/66/447745066.db2.gz UHIIBYUHJBVXFL-IPQPSQTFSA-N 1 3 341.459 1.424 20 0 EDADHO CN(C)C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789032 447750540 /nfs/dbraw/zinc/75/05/40/447750540.db2.gz SWJWYGKQYNCHCX-HSALFYBXSA-N 1 3 343.515 1.832 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794085 447751181 /nfs/dbraw/zinc/75/11/81/447751181.db2.gz GHHOJPVQQSXWIX-IFOZYUSPSA-N 1 3 344.858 1.972 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794085 447751184 /nfs/dbraw/zinc/75/11/84/447751184.db2.gz GHHOJPVQQSXWIX-IFOZYUSPSA-N 1 3 344.858 1.972 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459733023 447754255 /nfs/dbraw/zinc/75/42/55/447754255.db2.gz GEZSJZRRWJJKGX-INIZCTEOSA-N 1 3 336.480 1.885 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459733023 447754257 /nfs/dbraw/zinc/75/42/57/447754257.db2.gz GEZSJZRRWJJKGX-INIZCTEOSA-N 1 3 336.480 1.885 20 0 EDADHO CCN1CCN(Cc2ccc(N[C@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923618 447773728 /nfs/dbraw/zinc/77/37/28/447773728.db2.gz SBQWCZCCZALREB-LJQANCHMSA-N 1 3 334.508 1.990 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422935416 447775951 /nfs/dbraw/zinc/77/59/51/447775951.db2.gz AJPIZJVNGMMXAL-CHWSQXEVSA-N 1 3 327.469 1.201 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430564459 447779772 /nfs/dbraw/zinc/77/97/72/447779772.db2.gz BFFVJUISYAMISQ-MRXNPFEDSA-N 1 3 340.855 1.731 20 0 EDADHO CC(C)COC[C@H](O)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973894 447784568 /nfs/dbraw/zinc/78/45/68/447784568.db2.gz PVIKPJKYNAIFBS-HHXXYDBFSA-N 1 3 334.460 1.865 20 0 EDADHO CN(C)CCOCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000471655021 447807688 /nfs/dbraw/zinc/80/76/88/447807688.db2.gz UJLNHFLMVGONEJ-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO O=C(OCc1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000497166650 447914809 /nfs/dbraw/zinc/91/48/09/447914809.db2.gz VDBXIFFNPMTFBM-MSOLQXFVSA-N 1 3 347.459 1.444 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525603234 448005130 /nfs/dbraw/zinc/00/51/30/448005130.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 1 3 348.491 1.378 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000525603234 448005133 /nfs/dbraw/zinc/00/51/33/448005133.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 1 3 348.491 1.378 20 0 EDADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)N2CCCC2)CC1 ZINC000496891175 448008890 /nfs/dbraw/zinc/00/88/90/448008890.db2.gz HDXNHXVRSQSSON-ZDUSSCGKSA-N 1 3 325.457 1.206 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531061754 448011573 /nfs/dbraw/zinc/01/15/73/448011573.db2.gz ZKVSIQFNZBPGLF-HXUWFJFHSA-N 1 3 345.487 1.424 20 0 EDADHO C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCC[C@H]1C ZINC000570634973 448039621 /nfs/dbraw/zinc/03/96/21/448039621.db2.gz QOFXRPKROXWOGD-KFWWJZLASA-N 1 3 334.468 1.023 20 0 EDADHO C[C@H]1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297370 448056308 /nfs/dbraw/zinc/05/63/08/448056308.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H]1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297370 448056311 /nfs/dbraw/zinc/05/63/11/448056311.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 1 3 331.460 1.081 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000502754598 448105909 /nfs/dbraw/zinc/10/59/09/448105909.db2.gz BYJDWCXPWNHZOU-QZWWFDLISA-N 1 3 338.496 1.364 20 0 EDADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)O ZINC000514679952 448186011 /nfs/dbraw/zinc/18/60/11/448186011.db2.gz SOQXLHATQINLQA-WMLDXEAASA-N 1 3 325.497 1.458 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000582457525 448241961 /nfs/dbraw/zinc/24/19/61/448241961.db2.gz UBABSIFICHSCGE-IRXDYDNUSA-N 1 3 336.455 1.816 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000577269284 448251945 /nfs/dbraw/zinc/25/19/45/448251945.db2.gz PTDYRBLTRUJQBK-CVEARBPZSA-N 1 3 338.496 1.258 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000515347150 448294096 /nfs/dbraw/zinc/29/40/96/448294096.db2.gz SUMXOBPWZDIUIP-HXUWFJFHSA-N 1 3 348.535 1.226 20 0 EDADHO CN1CCN(CCCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350075 448294943 /nfs/dbraw/zinc/29/49/43/448294943.db2.gz ZETWCAAKYFFYKK-FQEVSTJZSA-N 1 3 344.503 1.062 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577720839 448366971 /nfs/dbraw/zinc/36/69/71/448366971.db2.gz SYTIZZIHKRHYCC-AWEZNQCLSA-N 1 3 344.459 1.071 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577720839 448366978 /nfs/dbraw/zinc/36/69/78/448366978.db2.gz SYTIZZIHKRHYCC-AWEZNQCLSA-N 1 3 344.459 1.071 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nnc(C)n3C)CC2)CC1 ZINC000572495598 448395315 /nfs/dbraw/zinc/39/53/15/448395315.db2.gz VSAXBWRYXJKCIJ-UHFFFAOYSA-N 1 3 334.468 1.258 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963550 448428727 /nfs/dbraw/zinc/42/87/27/448428727.db2.gz DWPRPYMQEISLNY-CHWSQXEVSA-N 1 3 345.896 1.868 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865129 448508719 /nfs/dbraw/zinc/50/87/19/448508719.db2.gz GTKPUOATGQDCEV-CQSZACIVSA-N 1 3 325.403 1.807 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865129 448508726 /nfs/dbraw/zinc/50/87/26/448508726.db2.gz GTKPUOATGQDCEV-CQSZACIVSA-N 1 3 325.403 1.807 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)cc1 ZINC000584406480 448513985 /nfs/dbraw/zinc/51/39/85/448513985.db2.gz KDTZDBMIXWRFLQ-QFBILLFUSA-N 1 3 348.487 1.855 20 0 EDADHO CN1CCN([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000572989782 448516464 /nfs/dbraw/zinc/51/64/64/448516464.db2.gz KXIFRCVKMGDNSV-FCLJQHQZSA-N 1 3 334.533 1.909 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982548 448517756 /nfs/dbraw/zinc/51/77/56/448517756.db2.gz JRMZWOXRQAXEPH-MRXNPFEDSA-N 1 3 331.526 1.320 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982548 448517761 /nfs/dbraw/zinc/51/77/61/448517761.db2.gz JRMZWOXRQAXEPH-MRXNPFEDSA-N 1 3 331.526 1.320 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999019 448519249 /nfs/dbraw/zinc/51/92/49/448519249.db2.gz ANPGMVVZXQLGJW-BVGQSLNGSA-N 1 3 328.460 1.737 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578425175 448540541 /nfs/dbraw/zinc/54/05/41/448540541.db2.gz PFBRZJGOSVTOHR-IAGOWNOFSA-N 1 3 346.475 1.520 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578425176 448541219 /nfs/dbraw/zinc/54/12/19/448541219.db2.gz PFBRZJGOSVTOHR-IRXDYDNUSA-N 1 3 346.475 1.520 20 0 EDADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000517646904 448601848 /nfs/dbraw/zinc/60/18/48/448601848.db2.gz JIUFRAMDCLUXDD-QGZVFWFLSA-N 1 3 336.524 1.537 20 0 EDADHO CN(C)C[C@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573336315 448602551 /nfs/dbraw/zinc/60/25/51/448602551.db2.gz LWTCYQOKJIAEAN-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573578149 448664526 /nfs/dbraw/zinc/66/45/26/448664526.db2.gz HNVJRYKEHISBGB-SJORKVTESA-N 1 3 339.505 1.874 20 0 EDADHO Cc1ncncc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000573697498 448693596 /nfs/dbraw/zinc/69/35/96/448693596.db2.gz SPENQFSZIMALFY-OAHLLOKOSA-N 1 3 333.480 1.232 20 0 EDADHO C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000518765184 448707983 /nfs/dbraw/zinc/70/79/83/448707983.db2.gz OAWLJWBSAXBYCQ-WMZOPIPTSA-N 1 3 346.519 1.712 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000573805630 448718814 /nfs/dbraw/zinc/71/88/14/448718814.db2.gz HHRRVPTXWBPWEY-HNNXBMFYSA-N 1 3 330.476 1.687 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000519407575 448768241 /nfs/dbraw/zinc/76/82/41/448768241.db2.gz PSRNDMJLGJFNIG-IAGOWNOFSA-N 1 3 345.491 1.309 20 0 EDADHO COC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000568078381 448812118 /nfs/dbraw/zinc/81/21/18/448812118.db2.gz PMPPFYBALOJJTM-RBUKOAKNSA-N 1 3 348.487 1.512 20 0 EDADHO COC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568078381 448812120 /nfs/dbraw/zinc/81/21/20/448812120.db2.gz PMPPFYBALOJJTM-RBUKOAKNSA-N 1 3 348.487 1.512 20 0 EDADHO COC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568078381 448812122 /nfs/dbraw/zinc/81/21/22/448812122.db2.gz PMPPFYBALOJJTM-RBUKOAKNSA-N 1 3 348.487 1.512 20 0 EDADHO CN1CC[C@](O)(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000579560071 448819952 /nfs/dbraw/zinc/81/99/52/448819952.db2.gz GMPLLTOXBRTIKJ-WMZOPIPTSA-N 1 3 332.448 1.424 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)CC1 ZINC000579588278 448828045 /nfs/dbraw/zinc/82/80/45/448828045.db2.gz HCKANDOBBPFBCD-APWZRJJASA-N 1 3 344.503 1.947 20 0 EDADHO NC(=O)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000520569003 448910119 /nfs/dbraw/zinc/91/01/19/448910119.db2.gz OXSOZEKTKQZUCJ-KRWDZBQOSA-N 1 3 331.460 1.380 20 0 EDADHO NC(=O)CCNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569003 448910125 /nfs/dbraw/zinc/91/01/25/448910125.db2.gz OXSOZEKTKQZUCJ-KRWDZBQOSA-N 1 3 331.460 1.380 20 0 EDADHO NC(=O)CCNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569003 448910129 /nfs/dbraw/zinc/91/01/29/448910129.db2.gz OXSOZEKTKQZUCJ-KRWDZBQOSA-N 1 3 331.460 1.380 20 0 EDADHO Cc1ccc(NC(=O)CCNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1 ZINC000569110948 448963532 /nfs/dbraw/zinc/96/35/32/448963532.db2.gz KCGVLXAYQDGKQX-DLBZAZTESA-N 1 3 346.475 1.686 20 0 EDADHO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000569211733 448978947 /nfs/dbraw/zinc/97/89/47/448978947.db2.gz BTAVJMPKTPJOMD-SJORKVTESA-N 1 3 345.491 1.241 20 0 EDADHO COc1cccnc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000548080125 448979411 /nfs/dbraw/zinc/97/94/11/448979411.db2.gz XCFXBEHNRZYQMP-UHFFFAOYSA-N 1 3 347.463 1.770 20 0 EDADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000568958836 448943744 /nfs/dbraw/zinc/94/37/44/448943744.db2.gz SPBQUXYLICADLM-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023491 449015759 /nfs/dbraw/zinc/01/57/59/449015759.db2.gz JSSCKCFRJHPGQR-DZGCQCFKSA-N 1 3 331.464 1.894 20 0 EDADHO C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000592956106 449076768 /nfs/dbraw/zinc/07/67/68/449076768.db2.gz DJQVHFYMTRYPPT-ILXRZTDVSA-N 1 3 333.480 1.712 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000522402706 449080405 /nfs/dbraw/zinc/08/04/05/449080405.db2.gz GNIMTAQGIOXFGP-OAHLLOKOSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000522402706 449080408 /nfs/dbraw/zinc/08/04/08/449080408.db2.gz GNIMTAQGIOXFGP-OAHLLOKOSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000582303882 449062213 /nfs/dbraw/zinc/06/22/13/449062213.db2.gz RNZMATQVMQIAJJ-VNQPRFMTSA-N 1 3 344.459 1.178 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530277513 449101825 /nfs/dbraw/zinc/10/18/25/449101825.db2.gz WBWKMFCFJYZBPK-ROUUACIJSA-N 1 3 337.508 1.913 20 0 EDADHO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000595893082 449237416 /nfs/dbraw/zinc/23/74/16/449237416.db2.gz OVUMDEMKDUVJRY-DOTOQJQBSA-N 1 3 332.444 1.819 20 0 EDADHO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000595893082 449237420 /nfs/dbraw/zinc/23/74/20/449237420.db2.gz OVUMDEMKDUVJRY-DOTOQJQBSA-N 1 3 332.444 1.819 20 0 EDADHO COC(=O)CCN1CCC[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895725 449238353 /nfs/dbraw/zinc/23/83/53/449238353.db2.gz TYIBKJMZECPTLJ-HOTGVXAUSA-N 1 3 337.464 1.005 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617505409 449652118 /nfs/dbraw/zinc/65/21/18/449652118.db2.gz BMEXBAZRATUOMQ-HNNXBMFYSA-N 1 3 348.491 1.390 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000617505409 449652122 /nfs/dbraw/zinc/65/21/22/449652122.db2.gz BMEXBAZRATUOMQ-HNNXBMFYSA-N 1 3 348.491 1.390 20 0 EDADHO Cc1nc2ccnn2cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503532 449646990 /nfs/dbraw/zinc/64/69/90/449646990.db2.gz NNEAZZULQFCXMU-ZDUSSCGKSA-N 1 3 332.452 1.040 20 0 EDADHO Cc1nc2ccnn2cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503532 449646995 /nfs/dbraw/zinc/64/69/95/449646995.db2.gz NNEAZZULQFCXMU-ZDUSSCGKSA-N 1 3 332.452 1.040 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583913 449686693 /nfs/dbraw/zinc/68/66/93/449686693.db2.gz VODPADLNLAUMLX-XIRDDKMYSA-N 1 3 347.459 1.151 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583913 449686698 /nfs/dbraw/zinc/68/66/98/449686698.db2.gz VODPADLNLAUMLX-XIRDDKMYSA-N 1 3 347.459 1.151 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)NC2CCN(CCO)CC2)([NH+](C)C)C1 ZINC000601270423 449789405 /nfs/dbraw/zinc/78/94/05/449789405.db2.gz QXIBGKIVWQQQPM-MAUKXSAKSA-N 1 3 340.512 1.253 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000594940605 449814812 /nfs/dbraw/zinc/81/48/12/449814812.db2.gz PBXXODBRYGAZHK-MDASCCDHSA-N 1 3 346.471 1.931 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000601330269 449838164 /nfs/dbraw/zinc/83/81/64/449838164.db2.gz SSHFSZZFFROWJZ-UHFFFAOYSA-N 1 3 340.512 1.207 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081177 449942301 /nfs/dbraw/zinc/94/23/01/449942301.db2.gz YYYXWKOMBUPQFU-QYZOEREBSA-N 1 3 345.487 1.074 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081177 449942306 /nfs/dbraw/zinc/94/23/06/449942306.db2.gz YYYXWKOMBUPQFU-QYZOEREBSA-N 1 3 345.487 1.074 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964572 449960284 /nfs/dbraw/zinc/96/02/84/449960284.db2.gz RMOGQXJXIBCQHM-IAGOWNOFSA-N 1 3 330.476 1.601 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCOC2CCOCC2)[C@@H](C)C1 ZINC000625333379 450298774 /nfs/dbraw/zinc/29/87/74/450298774.db2.gz XSVSUXOIGYJJSY-FUHWJXTLSA-N 1 3 328.497 1.909 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCOC2CCOCC2)[C@@H](C)C1 ZINC000625333379 450298778 /nfs/dbraw/zinc/29/87/78/450298778.db2.gz XSVSUXOIGYJJSY-FUHWJXTLSA-N 1 3 328.497 1.909 20 0 EDADHO CN1CC[NH+](CCCCNCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623357030 450505014 /nfs/dbraw/zinc/50/50/14/450505014.db2.gz VZYXVYWIJSAVSL-UHFFFAOYSA-N 1 3 346.454 1.524 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623360127 450505470 /nfs/dbraw/zinc/50/54/70/450505470.db2.gz WMGMWHZEZLGKCU-OAHLLOKOSA-N 1 3 339.505 1.899 20 0 EDADHO Nc1nc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)nc(N)[nH+]1 ZINC000623853653 450615626 /nfs/dbraw/zinc/61/56/26/450615626.db2.gz BQJODIIOUGNUEC-LBPRGKRZSA-N 1 3 333.827 1.021 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012683 450967070 /nfs/dbraw/zinc/96/70/70/450967070.db2.gz WDKYYMWWAIHIBN-CRAIPNDOSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012683 450967074 /nfs/dbraw/zinc/96/70/74/450967074.db2.gz WDKYYMWWAIHIBN-CRAIPNDOSA-N 1 3 345.491 1.534 20 0 EDADHO C[NH+](C)C1CC(NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000622009756 450985069 /nfs/dbraw/zinc/98/50/69/450985069.db2.gz JGLZLQCZJNSNMD-UHFFFAOYSA-N 1 3 344.503 1.798 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1CN(C)C ZINC000626892887 450989380 /nfs/dbraw/zinc/98/93/80/450989380.db2.gz IXLUXUDMKHGKCY-XJKSGUPXSA-N 1 3 332.448 1.252 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C[NH2+]1 ZINC000626935063 451017916 /nfs/dbraw/zinc/01/79/16/451017916.db2.gz WMWJCQOQVDNENZ-CRAIPNDOSA-N 1 3 330.476 1.875 20 0 EDADHO [NH3+]CCCOCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000626939415 451020103 /nfs/dbraw/zinc/02/01/03/451020103.db2.gz CADUNTDEADSJES-UHFFFAOYSA-N 1 3 344.525 1.013 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000627005918 451070640 /nfs/dbraw/zinc/07/06/40/451070640.db2.gz NXGBGKPZIFUOPR-SJORKVTESA-N 1 3 334.464 1.309 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCOCCC[NH3+])N(C)C ZINC000627033345 451091332 /nfs/dbraw/zinc/09/13/32/451091332.db2.gz HKJXIHKYIYERHA-RDJZCZTQSA-N 1 3 336.480 1.651 20 0 EDADHO CO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000628051484 451105516 /nfs/dbraw/zinc/10/55/16/451105516.db2.gz HMCYWXBMCCVVGA-WMLDXEAASA-N 1 3 339.455 1.901 20 0 EDADHO CO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000628051484 451105520 /nfs/dbraw/zinc/10/55/20/451105520.db2.gz HMCYWXBMCCVVGA-WMLDXEAASA-N 1 3 339.455 1.901 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000635638951 451126613 /nfs/dbraw/zinc/12/66/13/451126613.db2.gz CUHKRJIFTVXASD-MRXNPFEDSA-N 1 3 327.513 1.924 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627204784 451185966 /nfs/dbraw/zinc/18/59/66/451185966.db2.gz FRSKVEYEBIDQGV-LXZKKBNFSA-N 1 3 334.464 1.738 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000638137378 451310347 /nfs/dbraw/zinc/31/03/47/451310347.db2.gz JOQARTONMOLWGU-FUHWJXTLSA-N 1 3 332.492 1.479 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC3(C)CC[NH2+]CC3)ccc2[nH]c1=O ZINC000638207858 451355969 /nfs/dbraw/zinc/35/59/69/451355969.db2.gz PVPMOGBSHHITPS-UHFFFAOYSA-N 1 3 345.447 1.175 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246229 451379381 /nfs/dbraw/zinc/37/93/81/451379381.db2.gz CDCXBUJQSQULQS-QGZVFWFLSA-N 1 3 330.476 1.048 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(C)(C)N1CCOCC1 ZINC000638180756 451341844 /nfs/dbraw/zinc/34/18/44/451341844.db2.gz KMZYLWOQPMCCBT-ZACQAIPSSA-N 1 3 325.497 1.281 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628751497 451399013 /nfs/dbraw/zinc/39/90/13/451399013.db2.gz RPOYTVPWMOAOQN-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO C[N@H+]1CCCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628751497 451399016 /nfs/dbraw/zinc/39/90/16/451399016.db2.gz RPOYTVPWMOAOQN-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688400 451465585 /nfs/dbraw/zinc/46/55/85/451465585.db2.gz RCJVUINFONMDBP-OAGGEKHMSA-N 1 3 333.480 1.566 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638405966 451494779 /nfs/dbraw/zinc/49/47/79/451494779.db2.gz HTDBCVZNMUWMSB-QZTJIDSGSA-N 1 3 333.476 1.633 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638405966 451494782 /nfs/dbraw/zinc/49/47/82/451494782.db2.gz HTDBCVZNMUWMSB-QZTJIDSGSA-N 1 3 333.476 1.633 20 0 EDADHO C[NH+](C)CCc1ccc(CNC[C@H](O)CC2(O)CCOCC2)cc1 ZINC000634711827 451490832 /nfs/dbraw/zinc/49/08/32/451490832.db2.gz VFGDCVBJLRWCCD-GOSISDBHSA-N 1 3 336.476 1.173 20 0 EDADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000634720177 451499207 /nfs/dbraw/zinc/49/92/07/451499207.db2.gz GJUGCIQRHYSFKZ-LEWJYISDSA-N 1 3 340.467 1.817 20 0 EDADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000634720177 451499211 /nfs/dbraw/zinc/49/92/11/451499211.db2.gz GJUGCIQRHYSFKZ-LEWJYISDSA-N 1 3 340.467 1.817 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ocnc1C(F)(F)F ZINC000636162292 451555697 /nfs/dbraw/zinc/55/56/97/451555697.db2.gz XNIFYCZVLPHJJO-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ocnc1C(F)(F)F ZINC000636162292 451555703 /nfs/dbraw/zinc/55/57/03/451555703.db2.gz XNIFYCZVLPHJJO-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO O=C1CC[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCN1 ZINC000634967210 451627702 /nfs/dbraw/zinc/62/77/02/451627702.db2.gz IQWKOVGJIBKQTQ-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672527 451643783 /nfs/dbraw/zinc/64/37/83/451643783.db2.gz VFUNDQCDAMETTO-GMBSWORKSA-N 1 3 345.443 1.640 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000638763835 451683584 /nfs/dbraw/zinc/68/35/84/451683584.db2.gz JTEPLHOMTNLLNT-OAHLLOKOSA-N 1 3 336.455 1.624 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCOC1CNC1 ZINC000638834743 451705599 /nfs/dbraw/zinc/70/55/99/451705599.db2.gz IAGJJZSRVOELKA-WBVHZDCISA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCOC1CNC1 ZINC000638834743 451705604 /nfs/dbraw/zinc/70/56/04/451705604.db2.gz IAGJJZSRVOELKA-WBVHZDCISA-N 1 3 331.460 1.249 20 0 EDADHO CC(C)(C)[C@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641003547 451726840 /nfs/dbraw/zinc/72/68/40/451726840.db2.gz MLBHTVCKCJEXAD-MRXNPFEDSA-N 1 3 334.468 1.067 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000638936844 451739858 /nfs/dbraw/zinc/73/98/58/451739858.db2.gz SCNCIVFJVIZMOL-DLBZAZTESA-N 1 3 330.476 1.537 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638981697 451745410 /nfs/dbraw/zinc/74/54/10/451745410.db2.gz XHWMCEFQUWDKRO-GOSISDBHSA-N 1 3 346.519 1.779 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCOCC(F)(F)C(F)F)CC1 ZINC000639107099 451769153 /nfs/dbraw/zinc/76/91/53/451769153.db2.gz PDBLDTZXMLERAC-UHFFFAOYSA-N 1 3 330.366 1.728 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H](OC)C1CCOCC1 ZINC000639171023 451784202 /nfs/dbraw/zinc/78/42/02/451784202.db2.gz OJHXZWXKRLIEAD-OALUTQOASA-N 1 3 341.540 1.776 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H](OC)C1CCOCC1 ZINC000639171023 451784204 /nfs/dbraw/zinc/78/42/04/451784204.db2.gz OJHXZWXKRLIEAD-OALUTQOASA-N 1 3 341.540 1.776 20 0 EDADHO Cc1ncc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)n1 ZINC000639261985 451800349 /nfs/dbraw/zinc/80/03/49/451800349.db2.gz UMPOEVVPRGIVTC-HNNXBMFYSA-N 1 3 347.507 1.541 20 0 EDADHO CCOC1CC(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000639260707 451800384 /nfs/dbraw/zinc/80/03/84/451800384.db2.gz CUNQSZBRLAYUMJ-UHFFFAOYSA-N 1 3 325.497 1.188 20 0 EDADHO COCCOC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245836 451928897 /nfs/dbraw/zinc/92/88/97/451928897.db2.gz IIZFZONINHHIKW-GOSISDBHSA-N 1 3 328.497 1.598 20 0 EDADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942201 /nfs/dbraw/zinc/94/22/01/451942201.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 1 3 328.460 1.456 20 0 EDADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942203 /nfs/dbraw/zinc/94/22/03/451942203.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 1 3 328.460 1.456 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)N2CCCC2)cc1 ZINC000649277201 451947729 /nfs/dbraw/zinc/94/77/29/451947729.db2.gz LWZFDONQKUAZTG-WMZOPIPTSA-N 1 3 347.459 1.184 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CCN(C)C2)C1 ZINC000649288427 451962961 /nfs/dbraw/zinc/96/29/61/451962961.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CCN(C)C2)C1 ZINC000649288427 451962966 /nfs/dbraw/zinc/96/29/66/451962966.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649302469 451978068 /nfs/dbraw/zinc/97/80/68/451978068.db2.gz RIGUEXUFZGIHPX-MCIONIFRSA-N 1 3 333.423 1.237 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000649321550 451999710 /nfs/dbraw/zinc/99/97/10/451999710.db2.gz AFDSFBABKALMME-UHFFFAOYSA-N 1 3 333.476 1.803 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649328429 452007918 /nfs/dbraw/zinc/00/79/18/452007918.db2.gz ZFLBLYWXQHRPEV-CYBMUJFWSA-N 1 3 333.423 1.237 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@H](N)C1=O ZINC000649343245 452022938 /nfs/dbraw/zinc/02/29/38/452022938.db2.gz RLILYZUGIDUCRL-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649343533 452024395 /nfs/dbraw/zinc/02/43/95/452024395.db2.gz DIXGUAALJXDXCQ-NXHRZFHOSA-N 1 3 329.444 1.010 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643210151 452072930 /nfs/dbraw/zinc/07/29/30/452072930.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 1 3 339.528 1.137 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000643210151 452072931 /nfs/dbraw/zinc/07/29/31/452072931.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 1 3 339.528 1.137 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798481 452089083 /nfs/dbraw/zinc/08/90/83/452089083.db2.gz HPVJOZVVICYGKR-YQVWRLOYSA-N 1 3 333.476 1.953 20 0 EDADHO CN1CCN(Cc2cccc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151424 452090803 /nfs/dbraw/zinc/09/08/03/452090803.db2.gz FXKZHZGEGDRQDZ-INIZCTEOSA-N 1 3 327.432 1.909 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1 ZINC000647246890 452143762 /nfs/dbraw/zinc/14/37/62/452143762.db2.gz SPRGXVBEIJYOMA-LJQANCHMSA-N 1 3 336.476 1.894 20 0 EDADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000643454601 452231408 /nfs/dbraw/zinc/23/14/08/452231408.db2.gz NRXWEHKXYDHGID-HZPDHXFCSA-N 1 3 325.478 1.485 20 0 EDADHO C[NH+](C)CCOCCNCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000641748782 452234793 /nfs/dbraw/zinc/23/47/93/452234793.db2.gz SCLLFDVYJSPAIM-UHFFFAOYSA-N 1 3 334.386 1.906 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643488567 452258065 /nfs/dbraw/zinc/25/80/65/452258065.db2.gz LVAJCJUYVPRWBO-URLQWDBASA-N 1 3 329.444 1.889 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000659428798 452271318 /nfs/dbraw/zinc/27/13/18/452271318.db2.gz CGPHKFYVHHANMI-RHSMWYFYSA-N 1 3 336.480 1.985 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652125234 452321433 /nfs/dbraw/zinc/32/14/33/452321433.db2.gz JSNIVAAXXUMKRW-UHFFFAOYSA-N 1 3 334.464 1.555 20 0 EDADHO CN(C)c1ncc(CNCC2CC[NH+](C3CCOCC3)CC2)n1C ZINC000657537179 452322343 /nfs/dbraw/zinc/32/23/43/452322343.db2.gz BLDMQQAWYDECGW-UHFFFAOYSA-N 1 3 335.496 1.467 20 0 EDADHO CCCCN(C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151091 452345179 /nfs/dbraw/zinc/34/51/79/452345179.db2.gz IQAZLRIJLJBQJR-GVDBMIGSSA-N 1 3 340.512 1.646 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490047 452350866 /nfs/dbraw/zinc/35/08/66/452350866.db2.gz NEVIYRFGDCWSGT-GVDBMIGSSA-N 1 3 334.439 1.589 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490047 452350872 /nfs/dbraw/zinc/35/08/72/452350872.db2.gz NEVIYRFGDCWSGT-GVDBMIGSSA-N 1 3 334.439 1.589 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652181259 452375208 /nfs/dbraw/zinc/37/52/08/452375208.db2.gz VOHZPQGDZBSJRV-HRCADAONSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000645422603 452392949 /nfs/dbraw/zinc/39/29/49/452392949.db2.gz OWNRVYCPNUWLRK-HNNXBMFYSA-N 1 3 336.480 1.143 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659543079 452401972 /nfs/dbraw/zinc/40/19/72/452401972.db2.gz NTERBXDZEXSMAL-YJBOKZPZSA-N 1 3 345.491 1.733 20 0 EDADHO [NH3+]CC1(CCNC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659560476 452416721 /nfs/dbraw/zinc/41/67/21/452416721.db2.gz ZKXWYSMGCBDZMP-UHFFFAOYSA-N 1 3 345.491 1.722 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000652288381 452472360 /nfs/dbraw/zinc/47/23/60/452472360.db2.gz GMSBSAAORQMRAF-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO c1cc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)n(-c2ccncc2)n1 ZINC000657751821 452499799 /nfs/dbraw/zinc/49/97/99/452499799.db2.gz LBHQYTZIERLYKJ-SFHVURJKSA-N 1 3 327.432 1.610 20 0 EDADHO c1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)n(-c2ccncc2)n1 ZINC000657751821 452499804 /nfs/dbraw/zinc/49/98/04/452499804.db2.gz LBHQYTZIERLYKJ-SFHVURJKSA-N 1 3 327.432 1.610 20 0 EDADHO C([C@@H]1CCOC1)N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655725943 452538535 /nfs/dbraw/zinc/53/85/35/452538535.db2.gz NZRYTVBKGLOFNE-LPHOPBHVSA-N 1 3 337.508 1.330 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849372 452576245 /nfs/dbraw/zinc/57/62/45/452576245.db2.gz LDMFIGPCISJSSS-APWZRJJASA-N 1 3 347.503 1.730 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000663849374 452576282 /nfs/dbraw/zinc/57/62/82/452576282.db2.gz LDMFIGPCISJSSS-QFBILLFUSA-N 1 3 347.503 1.730 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659721661 452612795 /nfs/dbraw/zinc/61/27/95/452612795.db2.gz BRQOSUJWRIYQOT-AWEZNQCLSA-N 1 3 338.496 1.143 20 0 EDADHO NC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926843 452693575 /nfs/dbraw/zinc/69/35/75/452693575.db2.gz GTRIFASDKRXPPB-OLZOCXBDSA-N 1 3 336.402 1.972 20 0 EDADHO NC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926843 452693581 /nfs/dbraw/zinc/69/35/81/452693581.db2.gz GTRIFASDKRXPPB-OLZOCXBDSA-N 1 3 336.402 1.972 20 0 EDADHO CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCN(C)C1 ZINC000664032850 452732524 /nfs/dbraw/zinc/73/25/24/452732524.db2.gz CUPQUOWPLBXXSI-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655959613 452741450 /nfs/dbraw/zinc/74/14/50/452741450.db2.gz VAVPFJKTOGWCRY-DLBZAZTESA-N 1 3 344.459 1.478 20 0 EDADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655963419 452746845 /nfs/dbraw/zinc/74/68/45/452746845.db2.gz ZNCBBPCLJQRALB-KSZLIROESA-N 1 3 346.475 1.270 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654735957 452864037 /nfs/dbraw/zinc/86/40/37/452864037.db2.gz XJJREYKSGKCGPJ-GOSISDBHSA-N 1 3 333.476 1.545 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654735957 452864042 /nfs/dbraw/zinc/86/40/42/452864042.db2.gz XJJREYKSGKCGPJ-GOSISDBHSA-N 1 3 333.476 1.545 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000648165579 452874770 /nfs/dbraw/zinc/87/47/70/452874770.db2.gz PDSDLXCTUVPVCT-AWEZNQCLSA-N 1 3 332.448 1.102 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000666443385 452875445 /nfs/dbraw/zinc/87/54/45/452875445.db2.gz IRHSDOQTVLURCV-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165225 452876239 /nfs/dbraw/zinc/87/62/39/452876239.db2.gz YDHLMPUYJJOYMW-TVFCKZIOSA-N 1 3 329.444 1.144 20 0 EDADHO C[C@H](CCN=c1cc(NCC[C@H](C)[NH+](C)C)n2[n-]cnc2n1)[NH+](C)C ZINC000664245577 452923656 /nfs/dbraw/zinc/92/36/56/452923656.db2.gz QAXBUVOAXZSDOO-KGLIPLIRSA-N 1 3 348.499 1.050 20 0 EDADHO CCCc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n(C)n1 ZINC000666545095 452959518 /nfs/dbraw/zinc/95/95/18/452959518.db2.gz KTJVNHYTKHPOLC-AWEZNQCLSA-N 1 3 338.500 1.766 20 0 EDADHO CCCc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n(C)n1 ZINC000666545095 452959524 /nfs/dbraw/zinc/95/95/24/452959524.db2.gz KTJVNHYTKHPOLC-AWEZNQCLSA-N 1 3 338.500 1.766 20 0 EDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257686 452984854 /nfs/dbraw/zinc/98/48/54/452984854.db2.gz PDYWMJFNBSPHPC-GOSISDBHSA-N 1 3 343.471 1.744 20 0 EDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257686 452984860 /nfs/dbraw/zinc/98/48/60/452984860.db2.gz PDYWMJFNBSPHPC-GOSISDBHSA-N 1 3 343.471 1.744 20 0 EDADHO CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CCN(CC)C1 ZINC000658465583 452999518 /nfs/dbraw/zinc/99/95/18/452999518.db2.gz CJZKXOVOZNLWJL-QGZVFWFLSA-N 1 3 346.475 1.629 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CN)c3ccc(F)cc3)CC2)C1 ZINC000646003038 452999572 /nfs/dbraw/zinc/99/95/72/452999572.db2.gz OGKMNFMVGDXKQC-ZWKOTPCHSA-N 1 3 348.466 1.106 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](CN)c3ccc(F)cc3)CC2)C1 ZINC000646003038 452999582 /nfs/dbraw/zinc/99/95/82/452999582.db2.gz OGKMNFMVGDXKQC-ZWKOTPCHSA-N 1 3 348.466 1.106 20 0 EDADHO CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662278865 453005700 /nfs/dbraw/zinc/00/57/00/453005700.db2.gz NAFKJUQDLGUGEJ-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cccnc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337265 453052947 /nfs/dbraw/zinc/05/29/47/453052947.db2.gz KSKCVNJJFHRQFD-INIZCTEOSA-N 1 3 340.475 1.902 20 0 EDADHO Cc1ccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338345 453056722 /nfs/dbraw/zinc/05/67/22/453056722.db2.gz QRENRPNTNQHQEH-MRXNPFEDSA-N 1 3 340.475 1.902 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000666683610 453062398 /nfs/dbraw/zinc/06/23/98/453062398.db2.gz LGJUBWHWDCRVGH-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO CC(C)N1CCN(C2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660151161 453083378 /nfs/dbraw/zinc/08/33/78/453083378.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 1 3 340.556 1.178 20 0 EDADHO CC(C)N1CCN(C2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660151161 453083387 /nfs/dbraw/zinc/08/33/87/453083387.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 1 3 340.556 1.178 20 0 EDADHO CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000644153833 453085800 /nfs/dbraw/zinc/08/58/00/453085800.db2.gz VQZWCSYQWPSKHC-JKSUJKDBSA-N 1 3 337.414 1.964 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C1 ZINC000654975563 453095964 /nfs/dbraw/zinc/09/59/64/453095964.db2.gz XXSUPIKPZNQZKD-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662416343 453125580 /nfs/dbraw/zinc/12/55/80/453125580.db2.gz XBQPPTPVUCZGPD-AWEZNQCLSA-N 1 3 340.431 1.491 20 0 EDADHO NCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000666777258 453141964 /nfs/dbraw/zinc/14/19/64/453141964.db2.gz ZQLRCEWEHUGWSW-UHFFFAOYSA-N 1 3 346.475 1.856 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000646143121 453151882 /nfs/dbraw/zinc/15/18/82/453151882.db2.gz PMAUGOKXMYGSKM-UHFFFAOYSA-N 1 3 341.496 1.279 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000648786954 453273834 /nfs/dbraw/zinc/27/38/34/453273834.db2.gz XFPBQRGXUFDOCL-IXDOHACOSA-N 1 3 327.513 1.826 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000648786954 453273839 /nfs/dbraw/zinc/27/38/39/453273839.db2.gz XFPBQRGXUFDOCL-IXDOHACOSA-N 1 3 327.513 1.826 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C1 ZINC000662575840 453302725 /nfs/dbraw/zinc/30/27/25/453302725.db2.gz QVXNWFXDMATQRI-NEWSRXKRSA-N 1 3 343.471 1.966 20 0 EDADHO NC[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614507 453334404 /nfs/dbraw/zinc/33/44/04/453334404.db2.gz RMSNUTWRCWHCAD-IBGZPJMESA-N 1 3 345.487 1.736 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H](N)CC[NH+](C)C ZINC000653148788 453335489 /nfs/dbraw/zinc/33/54/89/453335489.db2.gz LKFCLPIPPCEFLI-MRXNPFEDSA-N 1 3 342.434 1.134 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)N(CC)CC ZINC000653184072 453375311 /nfs/dbraw/zinc/37/53/11/453375311.db2.gz MMFPEGDFQZFBSH-YLFCFFPRSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381210 /nfs/dbraw/zinc/38/12/10/453381210.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381213 /nfs/dbraw/zinc/38/12/13/453381213.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1Cl ZINC000662693690 453414822 /nfs/dbraw/zinc/41/48/22/453414822.db2.gz LJQNYKPTFAEFGU-IUODEOHRSA-N 1 3 341.839 1.583 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662749399 453480372 /nfs/dbraw/zinc/48/03/72/453480372.db2.gz LHGFLICUXJRVLV-QGZVFWFLSA-N 1 3 345.487 1.905 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660706099 453531690 /nfs/dbraw/zinc/53/16/90/453531690.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 1 3 338.496 1.128 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660706099 453531693 /nfs/dbraw/zinc/53/16/93/453531693.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 1 3 338.496 1.128 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000662870612 453581890 /nfs/dbraw/zinc/58/18/90/453581890.db2.gz IUZXIBKIILWRMJ-GDBMZVCRSA-N 1 3 337.439 1.738 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CCO1 ZINC000659021628 453584501 /nfs/dbraw/zinc/58/45/01/453584501.db2.gz HHAPWRKBCDUKQH-QGZVFWFLSA-N 1 3 332.448 1.864 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659036714 453592829 /nfs/dbraw/zinc/59/28/29/453592829.db2.gz SUNSFMBTDMYKRS-COXVUDFISA-N 1 3 332.448 1.952 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659036714 453592833 /nfs/dbraw/zinc/59/28/33/453592833.db2.gz SUNSFMBTDMYKRS-COXVUDFISA-N 1 3 332.448 1.952 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000665271056 453631154 /nfs/dbraw/zinc/63/11/54/453631154.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO COc1ccc([C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665293898 453640703 /nfs/dbraw/zinc/64/07/03/453640703.db2.gz DYRNOEKXKBSVAQ-YJBOKZPZSA-N 1 3 343.431 1.232 20 0 EDADHO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000665341753 453658873 /nfs/dbraw/zinc/65/88/73/453658873.db2.gz DHIHKIRPIOMSLS-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CNC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000665341753 453658879 /nfs/dbraw/zinc/65/88/79/453658879.db2.gz DHIHKIRPIOMSLS-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683665240 486783173 /nfs/dbraw/zinc/78/31/73/486783173.db2.gz WEOAKLMSLOAUAA-PKOBYXMFSA-N 1 3 342.524 1.987 20 0 EDADHO C[NH2+]CCN(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417152643 486794158 /nfs/dbraw/zinc/79/41/58/486794158.db2.gz NHHPHPXGWIVKBJ-UHFFFAOYSA-N 1 3 347.507 1.450 20 0 EDADHO COc1cc2c(cc1CNCCC[N@@H+]1CCCN(C)CC1)OCO2 ZINC000680544019 486806661 /nfs/dbraw/zinc/80/66/61/486806661.db2.gz GRAQDUUHHSQOIN-UHFFFAOYSA-N 1 3 335.448 1.541 20 0 EDADHO COc1cc2c(cc1CNCCC[N@H+]1CCCN(C)CC1)OCO2 ZINC000680544019 486806668 /nfs/dbraw/zinc/80/66/68/486806668.db2.gz GRAQDUUHHSQOIN-UHFFFAOYSA-N 1 3 335.448 1.541 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000430718894 486888768 /nfs/dbraw/zinc/88/87/68/486888768.db2.gz YMFBIWVDYNCWMF-DLBZAZTESA-N 1 3 344.459 1.450 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000667791359 486966481 /nfs/dbraw/zinc/96/64/81/486966481.db2.gz LTELRYKMSLEEFX-UHFFFAOYSA-N 1 3 338.415 1.476 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667795671 486968797 /nfs/dbraw/zinc/96/87/97/486968797.db2.gz LISHDMPMRAKHTK-UHFFFAOYSA-N 1 3 331.464 1.971 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000681211912 486974941 /nfs/dbraw/zinc/97/49/41/486974941.db2.gz XFRHTYBAFPNBHT-RBUKOAKNSA-N 1 3 346.519 1.868 20 0 EDADHO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000682501390 487377036 /nfs/dbraw/zinc/37/70/36/487377036.db2.gz UBYINMWUFNSOFH-CQSZACIVSA-N 1 3 340.489 1.712 20 0 EDADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1F ZINC000679290625 487409625 /nfs/dbraw/zinc/40/96/25/487409625.db2.gz XRVQPPLBEBIKQK-RHSMWYFYSA-N 1 3 340.487 1.935 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn2cccc(Cl)c12 ZINC000668303069 485581848 /nfs/dbraw/zinc/58/18/48/485581848.db2.gz YCCUGMJBAQKCEG-UHFFFAOYSA-N 1 3 337.855 1.553 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570467 485589660 /nfs/dbraw/zinc/58/96/60/485589660.db2.gz WBWMXVUSRLMYRD-SFHVURJKSA-N 1 3 346.475 1.329 20 0 EDADHO CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(CC)C1 ZINC000668347787 485614144 /nfs/dbraw/zinc/61/41/44/485614144.db2.gz DWBOZCBVQIOVFQ-MRXNPFEDSA-N 1 3 340.512 1.164 20 0 EDADHO CN(CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000395319101 485802996 /nfs/dbraw/zinc/80/29/96/485802996.db2.gz KMHPXQOOJWIYTL-OAHLLOKOSA-N 1 3 329.366 1.777 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491344 486263353 /nfs/dbraw/zinc/26/33/53/486263353.db2.gz WBXISBVEENIEDG-RCCFBDPRSA-N 1 3 334.508 1.892 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000261686485 534934275 /nfs/dbraw/zinc/93/42/75/534934275.db2.gz IEFKTGQJWGXIFP-UHFFFAOYSA-N 1 3 348.491 1.359 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000345359107 535362173 /nfs/dbraw/zinc/36/21/73/535362173.db2.gz ABICHUCDMXPKRY-QGZVFWFLSA-N 1 3 348.491 1.903 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1=O ZINC000270084066 535934231 /nfs/dbraw/zinc/93/42/31/535934231.db2.gz JEBVCAYFDFOEIV-KRWDZBQOSA-N 1 3 346.475 1.755 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1=O ZINC000270084066 535934237 /nfs/dbraw/zinc/93/42/37/535934237.db2.gz JEBVCAYFDFOEIV-KRWDZBQOSA-N 1 3 346.475 1.755 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000074616835 536503336 /nfs/dbraw/zinc/50/33/36/536503336.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000074616835 536503342 /nfs/dbraw/zinc/50/33/42/536503342.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734277541 578804747 /nfs/dbraw/zinc/80/47/47/578804747.db2.gz XAKWKKXBEMPPOD-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734277541 578804748 /nfs/dbraw/zinc/80/47/48/578804748.db2.gz XAKWKKXBEMPPOD-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCN1CCCO[C@@H](C)C1 ZINC000761550476 580059114 /nfs/dbraw/zinc/05/91/14/580059114.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 1 3 342.553 1.436 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCN1CCCO[C@@H](C)C1 ZINC000761550476 580059115 /nfs/dbraw/zinc/05/91/15/580059115.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 1 3 342.553 1.436 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccc(F)n3)CC2)CC1 ZINC000747961571 579664596 /nfs/dbraw/zinc/66/45/96/579664596.db2.gz KVXIEQMLRIMVHM-UHFFFAOYSA-N 1 3 349.454 1.579 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)N1CCCCC1)C(C)C ZINC000774787922 580374212 /nfs/dbraw/zinc/37/42/12/580374212.db2.gz FIWLUMRQYXJRHS-INIZCTEOSA-N 1 3 340.512 1.212 20 0 EDADHO O[C@H](CN1CCC(CCCN2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000780330605 580518727 /nfs/dbraw/zinc/51/87/27/580518727.db2.gz KVYDUCGJVRSRRE-IBGZPJMESA-N 1 3 339.524 1.268 20 0 EDADHO O[C@@H](CN1CCCC1)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000780330605 580518728 /nfs/dbraw/zinc/51/87/28/580518728.db2.gz KVYDUCGJVRSRRE-IBGZPJMESA-N 1 3 339.524 1.268 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000891815858 590633365 /nfs/dbraw/zinc/63/33/65/590633365.db2.gz HFUGYZSVIOCYHE-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000891815858 590633369 /nfs/dbraw/zinc/63/33/69/590633369.db2.gz HFUGYZSVIOCYHE-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891816395 590633959 /nfs/dbraw/zinc/63/39/59/590633959.db2.gz BOTIHOQUJIEYRA-OKZBNKHCSA-N 1 3 328.460 1.653 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893328042 590782156 /nfs/dbraw/zinc/78/21/56/590782156.db2.gz RRMOXBCZTMYEJK-JKSUJKDBSA-N 1 3 329.460 1.237 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150696 590823555 /nfs/dbraw/zinc/82/35/55/590823555.db2.gz KQWOBCNBYIPCLO-HUUCEWRRSA-N 1 3 340.418 1.851 20 0 EDADHO CN(CCNC(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000892262935 590896123 /nfs/dbraw/zinc/89/61/23/590896123.db2.gz OEHPMCXKJAXUKX-UHFFFAOYSA-N 1 3 330.476 1.998 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc2nccn2c1 ZINC000888989824 590970510 /nfs/dbraw/zinc/97/05/10/590970510.db2.gz AJCCDGBYRNLJPE-ZDUSSCGKSA-N 1 3 333.440 1.123 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc2nccn2c1 ZINC000888989824 590970512 /nfs/dbraw/zinc/97/05/12/590970512.db2.gz AJCCDGBYRNLJPE-ZDUSSCGKSA-N 1 3 333.440 1.123 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892391454 591007680 /nfs/dbraw/zinc/00/76/80/591007680.db2.gz CLWHXXMMTWTBJV-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891455840 591078481 /nfs/dbraw/zinc/07/84/81/591078481.db2.gz HRVOLEMVZHCTGO-IAGOWNOFSA-N 1 3 346.475 1.663 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000891544272 591117535 /nfs/dbraw/zinc/11/75/35/591117535.db2.gz BNASRVAELAZLJE-GASCZTMLSA-N 1 3 340.537 1.775 20 0 EDADHO CN(C)C1(CN(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1 ZINC000892769508 591168214 /nfs/dbraw/zinc/16/82/14/591168214.db2.gz ZXFPGLRHTSFWIV-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673024 591178841 /nfs/dbraw/zinc/17/88/41/591178841.db2.gz GNMIKHOOCOHMCH-ACJLOTCBSA-N 1 3 328.460 1.614 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891674328 591179406 /nfs/dbraw/zinc/17/94/06/591179406.db2.gz WXCKEARFFHFPGJ-ZWKOTPCHSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817562 591192756 /nfs/dbraw/zinc/19/27/56/591192756.db2.gz DZMHQCFHKXNHEE-IRXDYDNUSA-N 1 3 336.480 1.166 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H]1c1ccccc1 ZINC000891722495 591198729 /nfs/dbraw/zinc/19/87/29/591198729.db2.gz CWFPPZVODUCLKU-IMBTUZDBSA-N 1 3 328.460 1.683 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)[C@H]1c1ccccc1 ZINC000891722361 591198914 /nfs/dbraw/zinc/19/89/14/591198914.db2.gz CLCBRPIFCBLLDF-XLAORIBOSA-N 1 3 328.460 1.968 20 0 EDADHO Cc1noc2ncc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc12 ZINC000894333267 591281561 /nfs/dbraw/zinc/28/15/61/591281561.db2.gz VOOJIHKCBTYOJZ-DLBZAZTESA-N 1 3 330.432 1.999 20 0 EDADHO Cc1noc2ncc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc12 ZINC000894333272 591281722 /nfs/dbraw/zinc/28/17/22/591281722.db2.gz VOOJIHKCBTYOJZ-IRXDYDNUSA-N 1 3 330.432 1.999 20 0 EDADHO CN1CCC(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000894520220 591329985 /nfs/dbraw/zinc/32/99/85/591329985.db2.gz HKIBUDVBUARTHV-OAHLLOKOSA-N 1 3 329.510 1.122 20 0 EDADHO CN1CCC(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000894520220 591329989 /nfs/dbraw/zinc/32/99/89/591329989.db2.gz HKIBUDVBUARTHV-OAHLLOKOSA-N 1 3 329.510 1.122 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC000898510445 591386062 /nfs/dbraw/zinc/38/60/62/591386062.db2.gz UVONEEDALMCSNY-AWEZNQCLSA-N 1 3 334.455 1.947 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459826 /nfs/dbraw/zinc/45/98/26/591459826.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459827 /nfs/dbraw/zinc/45/98/27/591459827.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 1 3 338.496 1.223 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894905204 591467515 /nfs/dbraw/zinc/46/75/15/591467515.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894905204 591467518 /nfs/dbraw/zinc/46/75/18/591467518.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NCCN1CC[C@@H](C)C1 ZINC000897469797 591471730 /nfs/dbraw/zinc/47/17/30/591471730.db2.gz RBHBFSCIBVYTGG-MRXNPFEDSA-N 1 3 340.512 1.328 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473626 /nfs/dbraw/zinc/47/36/26/591473626.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 1 3 344.503 1.973 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473630 /nfs/dbraw/zinc/47/36/30/591473630.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 1 3 344.503 1.973 20 0 EDADHO O[C@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)C1(O)CCOCC1 ZINC000899867645 591966187 /nfs/dbraw/zinc/96/61/87/591966187.db2.gz RSTDXCZYWUMYAX-LJQANCHMSA-N 1 3 348.487 1.665 20 0 EDADHO C[C@H](CCCC[NH3+])N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455399 591999306 /nfs/dbraw/zinc/99/93/06/591999306.db2.gz LTGBAWBRNSMKIN-BXKDBHETSA-N 1 3 341.253 1.814 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000900720951 592104091 /nfs/dbraw/zinc/10/40/91/592104091.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000900720951 592104092 /nfs/dbraw/zinc/10/40/92/592104092.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903105329 592120882 /nfs/dbraw/zinc/12/08/82/592120882.db2.gz BADQFXKLCKHJAV-VQTJNVASSA-N 1 3 346.471 1.681 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)CCN2CCN(C(C)C)CC2)CC1 ZINC000900842251 592144765 /nfs/dbraw/zinc/14/47/65/592144765.db2.gz IODMWGQNQNWBDY-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCC[C@H](CN(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172325 /nfs/dbraw/zinc/17/23/25/592172325.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 1 3 333.524 1.980 20 0 EDADHO C[NH+]1CCC2(CCCN(C(=O)C3CN(C4CCOCC4)C3)C2)CC1 ZINC000907960832 592235177 /nfs/dbraw/zinc/23/51/77/592235177.db2.gz WSYFVQPTELVGPL-UHFFFAOYSA-N 1 3 335.492 1.432 20 0 EDADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664590 592247137 /nfs/dbraw/zinc/24/71/37/592247137.db2.gz MFGDCUISEGFXES-CJNGLKHVSA-N 1 3 344.459 1.514 20 0 EDADHO COc1ccc(C[N@H+](CCCO)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904470935 592268796 /nfs/dbraw/zinc/26/87/96/592268796.db2.gz DBMLJTOYKLSYRP-QGZVFWFLSA-N 1 3 349.475 1.077 20 0 EDADHO COc1ccc(C[N@@H+](CCCO)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904470935 592268800 /nfs/dbraw/zinc/26/88/00/592268800.db2.gz DBMLJTOYKLSYRP-QGZVFWFLSA-N 1 3 349.475 1.077 20 0 EDADHO CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717441 592280690 /nfs/dbraw/zinc/28/06/90/592280690.db2.gz AKJSZTOCAVAART-TXPKVOOTSA-N 1 3 332.444 1.917 20 0 EDADHO CCCCN(C)C(=O)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722398 592283924 /nfs/dbraw/zinc/28/39/24/592283924.db2.gz LVUKSVOZPDZYFL-IEBWSBKVSA-N 1 3 337.508 1.726 20 0 EDADHO COc1ccc([C@H](CO)N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728917 592285727 /nfs/dbraw/zinc/28/57/27/592285727.db2.gz HMPUEUIPEUUELO-MSOLQXFVSA-N 1 3 334.460 1.819 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736292 592302613 /nfs/dbraw/zinc/30/26/13/592302613.db2.gz TWSPDTJJYBNHBG-MRXNPFEDSA-N 1 3 346.475 1.644 20 0 EDADHO CCOCCN1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903740204 592303050 /nfs/dbraw/zinc/30/30/50/592303050.db2.gz SZHGERPWLMNHBK-OKZBNKHCSA-N 1 3 325.497 1.188 20 0 EDADHO CCC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756359 592313591 /nfs/dbraw/zinc/31/35/91/592313591.db2.gz QLOOSKUKOHVLCR-SQNIBIBYSA-N 1 3 325.497 1.188 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000906756988 592316869 /nfs/dbraw/zinc/31/68/69/592316869.db2.gz LEMOLYGRDZDYAV-UHFFFAOYSA-N 1 3 346.475 1.317 20 0 EDADHO NCC1([C@@H]2CCCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)CCC1 ZINC000903812662 592331425 /nfs/dbraw/zinc/33/14/25/592331425.db2.gz VSYRSSVENLCTQL-FHWLQOOXSA-N 1 3 331.504 1.901 20 0 EDADHO NCC1([C@@H]2CCCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)CCC1 ZINC000903812662 592331430 /nfs/dbraw/zinc/33/14/30/592331430.db2.gz VSYRSSVENLCTQL-FHWLQOOXSA-N 1 3 331.504 1.901 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202080 592379455 /nfs/dbraw/zinc/37/94/55/592379455.db2.gz IFEWPQOGSGVXLK-ZWKOTPCHSA-N 1 3 331.460 1.081 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202080 592379459 /nfs/dbraw/zinc/37/94/59/592379459.db2.gz IFEWPQOGSGVXLK-ZWKOTPCHSA-N 1 3 331.460 1.081 20 0 EDADHO COc1cc(CC[NH2+]C[C@H](CN)Cc2cnn(C)c2C)ccc1C ZINC000903926860 592380856 /nfs/dbraw/zinc/38/08/56/592380856.db2.gz VHIUHMHFGFMAAF-KRWDZBQOSA-N 1 3 330.476 1.995 20 0 EDADHO COc1cc(CCNC[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1C ZINC000903926860 592380862 /nfs/dbraw/zinc/38/08/62/592380862.db2.gz VHIUHMHFGFMAAF-KRWDZBQOSA-N 1 3 330.476 1.995 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCC(C)(C)[NH3+])CC1 ZINC000903938988 592386688 /nfs/dbraw/zinc/38/66/88/592386688.db2.gz ANQBDOKZCGOQIW-CYBMUJFWSA-N 1 3 327.469 1.284 20 0 EDADHO COC(=O)CC[C@@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937038 592387216 /nfs/dbraw/zinc/38/72/16/592387216.db2.gz AHXOFBZIYSGMTO-HOTGVXAUSA-N 1 3 336.480 1.511 20 0 EDADHO Cc1cc([C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917418 592389125 /nfs/dbraw/zinc/38/91/25/592389125.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 1 3 330.480 1.757 20 0 EDADHO Cc1cc([C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917418 592389132 /nfs/dbraw/zinc/38/91/32/592389132.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 1 3 330.480 1.757 20 0 EDADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1OCCc2sccc21 ZINC000903947561 592393796 /nfs/dbraw/zinc/39/37/96/592393796.db2.gz AWQOFSJWHYOSJD-ZFWWWQNUSA-N 1 3 337.489 1.491 20 0 EDADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1OCCc2sccc21 ZINC000903947561 592393800 /nfs/dbraw/zinc/39/38/00/592393800.db2.gz AWQOFSJWHYOSJD-ZFWWWQNUSA-N 1 3 337.489 1.491 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC(c3ccn(C)n3)CC2)cnn1C ZINC000903987359 592406447 /nfs/dbraw/zinc/40/64/47/592406447.db2.gz DEQMJVNQUDLGEZ-OAHLLOKOSA-N 1 3 330.480 1.459 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)ccn1 ZINC000904098030 592425053 /nfs/dbraw/zinc/42/50/53/592425053.db2.gz MHGKKGZDWUKEJF-VNHYZAJKSA-N 1 3 329.404 1.395 20 0 EDADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC000905365616 592516367 /nfs/dbraw/zinc/51/63/67/592516367.db2.gz CDHSYTPRRGOIRW-MSOLQXFVSA-N 1 3 334.460 1.009 20 0 EDADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC000905365616 592516369 /nfs/dbraw/zinc/51/63/69/592516369.db2.gz CDHSYTPRRGOIRW-MSOLQXFVSA-N 1 3 334.460 1.009 20 0 EDADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000905496382 592553644 /nfs/dbraw/zinc/55/36/44/592553644.db2.gz SIFFGWKUSAKWPK-DUQPFJRNSA-N 1 3 328.497 1.233 20 0 EDADHO C[C@H](CNC(=O)c1cscc1C(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000906072417 592737731 /nfs/dbraw/zinc/73/77/31/592737731.db2.gz KCMKPJKEQOMXEI-TXEJJXNPSA-N 1 3 340.493 1.108 20 0 EDADHO C[C@H](CNC(=O)c1cscc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000906072417 592737732 /nfs/dbraw/zinc/73/77/32/592737732.db2.gz KCMKPJKEQOMXEI-TXEJJXNPSA-N 1 3 340.493 1.108 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2CN)CCCCC1 ZINC000906644785 592865896 /nfs/dbraw/zinc/86/58/96/592865896.db2.gz NYWLIZZQQUFBPG-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000911804097 593013529 /nfs/dbraw/zinc/01/35/29/593013529.db2.gz ZQUMDCFGUUCCIP-PVABEOQZSA-N 1 3 331.460 1.884 20 0 EDADHO CC(C)[NH+]1CCN(CCC(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)CC1 ZINC000912029877 593050088 /nfs/dbraw/zinc/05/00/88/593050088.db2.gz CFSWCKDCUCSSAI-QGZVFWFLSA-N 1 3 338.540 1.591 20 0 EDADHO CSC1(CNC(=O)NC[C@@H](C)N2CCCCC2)CC[NH+](C)CC1 ZINC000811890518 593485390 /nfs/dbraw/zinc/48/53/90/593485390.db2.gz TXMFHZYSNPYWJT-OAHLLOKOSA-N 1 3 342.553 1.987 20 0 EDADHO CON(C)C(=O)CC[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000818966000 593730944 /nfs/dbraw/zinc/73/09/44/593730944.db2.gz YALAMGNYIZDKHX-UHFFFAOYSA-N 1 3 348.491 1.588 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135200 593740816 /nfs/dbraw/zinc/74/08/16/593740816.db2.gz VBOXWPUFZANJKZ-RBSFLKMASA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+](C)CCOCCNC[C@H](O)c1ccc(F)c(Br)c1 ZINC000819211270 593744449 /nfs/dbraw/zinc/74/44/49/593744449.db2.gz YCJCAFIZTSNNPC-AWEZNQCLSA-N 1 3 349.244 1.789 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccccc2Cl)CC1(C)C ZINC000819287188 593748489 /nfs/dbraw/zinc/74/84/89/593748489.db2.gz MYPGHWQJOCKOBG-INIZCTEOSA-N 1 3 325.884 1.989 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000824826513 594080601 /nfs/dbraw/zinc/08/06/01/594080601.db2.gz KABXEEJOOYZCNE-XYJFISCASA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]12CCO[C@H]1CCCC2 ZINC000824826513 594080603 /nfs/dbraw/zinc/08/06/03/594080603.db2.gz KABXEEJOOYZCNE-XYJFISCASA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831173869 594574843 /nfs/dbraw/zinc/57/48/43/594574843.db2.gz SWAOILUPUSOTMC-GOSISDBHSA-N 1 3 344.503 1.944 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000829436190 594613027 /nfs/dbraw/zinc/61/30/27/594613027.db2.gz NUTFGXOARJGPJE-UHFFFAOYSA-N 1 3 333.432 1.150 20 0 EDADHO CN(C[C@@H](O)C[NH+]1CCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000832778948 594776000 /nfs/dbraw/zinc/77/60/00/594776000.db2.gz RAXUFWZFBDTYPD-OAHLLOKOSA-N 1 3 337.430 1.792 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000841019078 594840091 /nfs/dbraw/zinc/84/00/91/594840091.db2.gz BTAZXLNDTJLGSL-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900199 /nfs/dbraw/zinc/90/01/99/594900199.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 1 3 327.472 1.845 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900202 /nfs/dbraw/zinc/90/02/02/594900202.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 1 3 327.472 1.845 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847192 594964474 /nfs/dbraw/zinc/96/44/74/594964474.db2.gz SMHYWJJDYXAODU-OLZOCXBDSA-N 1 3 341.358 1.516 20 0 EDADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000841851182 594965285 /nfs/dbraw/zinc/96/52/85/594965285.db2.gz MCJXUZQZJWLMLC-RWMBFGLXSA-N 1 3 328.819 1.592 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000841975002 594993528 /nfs/dbraw/zinc/99/35/28/594993528.db2.gz BNSBXATZEAZZRD-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172082 595290976 /nfs/dbraw/zinc/29/09/76/595290976.db2.gz VHISJHCLGYCOKV-ZWKOTPCHSA-N 1 3 349.450 1.628 20 0 EDADHO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000844174242 595291920 /nfs/dbraw/zinc/29/19/20/595291920.db2.gz SCOWGBCBKYPABD-RBUKOAKNSA-N 1 3 345.487 1.878 20 0 EDADHO [NH3+][C@H](CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000844184905 595295897 /nfs/dbraw/zinc/29/58/97/595295897.db2.gz FCNXOFJZGUFIFO-QGZVFWFLSA-N 1 3 344.459 1.578 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847311532 595393920 /nfs/dbraw/zinc/39/39/20/595393920.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847311532 595393922 /nfs/dbraw/zinc/39/39/22/595393922.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 1 3 336.480 1.166 20 0 EDADHO COc1ccccc1[C@@H](O)CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848524818 595402543 /nfs/dbraw/zinc/40/25/43/595402543.db2.gz XLYWMGIKVFSMCZ-WMZOPIPTSA-N 1 3 334.460 1.962 20 0 EDADHO OC[C@H](C[C@@H](O)c1ccccc1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848535517 595403721 /nfs/dbraw/zinc/40/37/21/595403721.db2.gz DEIRWUUDSZYCOU-SLFFLAALSA-N 1 3 348.487 1.704 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541266 595560716 /nfs/dbraw/zinc/56/07/16/595560716.db2.gz MOKMLDZACWLBKN-KBAYOESNSA-N 1 3 349.523 1.690 20 0 EDADHO CC[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000852858874 595581062 /nfs/dbraw/zinc/58/10/62/595581062.db2.gz JTCKBDXGQRMAGV-JKSUJKDBSA-N 1 3 330.432 1.043 20 0 EDADHO NC[C@H]1CC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861745 595583156 /nfs/dbraw/zinc/58/31/56/595583156.db2.gz IIKAZBGLCZKIDS-JKSUJKDBSA-N 1 3 330.432 1.118 20 0 EDADHO NC[C@H]1CC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861745 595583158 /nfs/dbraw/zinc/58/31/58/595583158.db2.gz IIKAZBGLCZKIDS-JKSUJKDBSA-N 1 3 330.432 1.118 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852895105 595602684 /nfs/dbraw/zinc/60/26/84/595602684.db2.gz XEKFFBJEBVKDMZ-HOCLYGCPSA-N 1 3 336.480 1.593 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852895105 595602687 /nfs/dbraw/zinc/60/26/87/595602687.db2.gz XEKFFBJEBVKDMZ-HOCLYGCPSA-N 1 3 336.480 1.593 20 0 EDADHO C[NH+]1CCC(CN[C@H]2CCCc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000857868808 595637284 /nfs/dbraw/zinc/63/72/84/595637284.db2.gz CZQJVTPBAWXRNA-INIZCTEOSA-N 1 3 333.480 1.173 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855346288 595680494 /nfs/dbraw/zinc/68/04/94/595680494.db2.gz VJOBKINRWCGGOB-YOEHRIQHSA-N 1 3 339.455 1.637 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000855346288 595680497 /nfs/dbraw/zinc/68/04/97/595680497.db2.gz VJOBKINRWCGGOB-YOEHRIQHSA-N 1 3 339.455 1.637 20 0 EDADHO [NH3+]CCCCCCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000851668235 595877229 /nfs/dbraw/zinc/87/72/29/595877229.db2.gz SUAJTDHJONQKNG-GOSISDBHSA-N 1 3 348.491 1.572 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000851691008 595886699 /nfs/dbraw/zinc/88/66/99/595886699.db2.gz DHGHUFDBCVMMFA-QGZVFWFLSA-N 1 3 348.491 1.196 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000851810382 595930746 /nfs/dbraw/zinc/93/07/46/595930746.db2.gz DAKXFURLVKGLII-OAHLLOKOSA-N 1 3 343.364 1.788 20 0 EDADHO CCOC(=O)N1CCC([C@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956705 595985845 /nfs/dbraw/zinc/98/58/45/595985845.db2.gz ZVYXHIMMNJFGMB-GOEBONIOSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC([C@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956705 595985847 /nfs/dbraw/zinc/98/58/47/595985847.db2.gz ZVYXHIMMNJFGMB-GOEBONIOSA-N 1 3 329.485 1.534 20 0 EDADHO COC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599645 596030279 /nfs/dbraw/zinc/03/02/79/596030279.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 1 3 337.464 1.382 20 0 EDADHO COC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599645 596030284 /nfs/dbraw/zinc/03/02/84/596030284.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 1 3 337.464 1.382 20 0 EDADHO NC(=O)c1cc(F)ccc1N1CCN(CCCCCCC[NH3+])CC1 ZINC000857086992 596154695 /nfs/dbraw/zinc/15/46/95/596154695.db2.gz PGTQRFIOEREICR-UHFFFAOYSA-N 1 3 336.455 1.956 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCCCC2CCOCC2)C1 ZINC000866711512 596305174 /nfs/dbraw/zinc/30/51/74/596305174.db2.gz LWXSMUJCRXTWED-IXDOHACOSA-N 1 3 337.464 1.450 20 0 EDADHO CO[C@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712265 596305349 /nfs/dbraw/zinc/30/53/49/596305349.db2.gz SBMBPJJQEQXMLL-WCXIOVBPSA-N 1 3 337.464 1.449 20 0 EDADHO COCC[C@@H](CNC[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456662 596581056 /nfs/dbraw/zinc/58/10/56/596581056.db2.gz PKEDVESJYNYXGX-GJZGRUSLSA-N 1 3 329.485 1.848 20 0 EDADHO COCC[C@@H](CNC[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456662 596581059 /nfs/dbraw/zinc/58/10/59/596581059.db2.gz PKEDVESJYNYXGX-GJZGRUSLSA-N 1 3 329.485 1.848 20 0 EDADHO C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000863570688 596621997 /nfs/dbraw/zinc/62/19/97/596621997.db2.gz YUQSJDBASZAOKS-HOTGVXAUSA-N 1 3 332.492 1.435 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225283 596734986 /nfs/dbraw/zinc/73/49/86/596734986.db2.gz QBIVZYHHXASDJM-XOKHGSTOSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)C1(CN(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC1 ZINC000868234981 596739535 /nfs/dbraw/zinc/73/95/35/596739535.db2.gz HMYBQQLCIVDGAV-JKSUJKDBSA-N 1 3 344.459 1.382 20 0 EDADHO CN(CCCCCC[NH3+])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000872154841 596815897 /nfs/dbraw/zinc/81/58/97/596815897.db2.gz BYSRYXSMXCLJKN-HNNXBMFYSA-N 1 3 335.448 1.394 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872188652 596826510 /nfs/dbraw/zinc/82/65/10/596826510.db2.gz YHPCQADUWFFTQV-OAHLLOKOSA-N 1 3 340.512 1.153 20 0 EDADHO CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000872201918 596833672 /nfs/dbraw/zinc/83/36/72/596833672.db2.gz LVVHPWWUIOHUNW-GOSISDBHSA-N 1 3 336.476 1.255 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000875712502 596956279 /nfs/dbraw/zinc/95/62/79/596956279.db2.gz FLTSNCBBSKIEQH-YVSFHVDLSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000875712502 596956281 /nfs/dbraw/zinc/95/62/81/596956281.db2.gz FLTSNCBBSKIEQH-YVSFHVDLSA-N 1 3 340.512 1.515 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000874382964 597050414 /nfs/dbraw/zinc/05/04/14/597050414.db2.gz XDICGMSEWWKOPF-HUUCEWRRSA-N 1 3 341.496 1.306 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226976 597234078 /nfs/dbraw/zinc/23/40/78/597234078.db2.gz FIVJRIONEOWQRQ-UZLBHIALSA-N 1 3 327.472 1.774 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226976 597234080 /nfs/dbraw/zinc/23/40/80/597234080.db2.gz FIVJRIONEOWQRQ-UZLBHIALSA-N 1 3 327.472 1.774 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CN1C1CC1 ZINC000873247065 597238680 /nfs/dbraw/zinc/23/86/80/597238680.db2.gz HSYXOQXBTZQLMT-DZGCQCFKSA-N 1 3 326.448 1.441 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274261 597244906 /nfs/dbraw/zinc/24/49/06/597244906.db2.gz TYGOMEICHPGQDD-OGCZYDBJSA-N 1 3 332.444 1.850 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875075395 597272244 /nfs/dbraw/zinc/27/22/44/597272244.db2.gz ZOWPSQSCYLYPSC-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877030366 597416528 /nfs/dbraw/zinc/41/65/28/597416528.db2.gz FBRREHUJQXQWJR-HLLBOEOZSA-N 1 3 345.443 1.410 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877030366 597416531 /nfs/dbraw/zinc/41/65/31/597416531.db2.gz FBRREHUJQXQWJR-HLLBOEOZSA-N 1 3 345.443 1.410 20 0 EDADHO C[NH+]1CCC(CNC(=O)C[C@H]2CNCCO2)(c2ccccc2)CC1 ZINC000877227973 597467920 /nfs/dbraw/zinc/46/79/20/597467920.db2.gz RGAPYYFCJOHVFG-KRWDZBQOSA-N 1 3 331.460 1.145 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403098 597510609 /nfs/dbraw/zinc/51/06/09/597510609.db2.gz MZPBHJDWBNRRRI-QGZVFWFLSA-N 1 3 336.524 1.443 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000877719525 597550858 /nfs/dbraw/zinc/55/08/58/597550858.db2.gz BQYLCCGQKFLNFH-OTVXOJSOSA-N 1 3 326.481 1.932 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427269 597743474 /nfs/dbraw/zinc/74/34/74/597743474.db2.gz MTGPJRZFCKGJIM-CVEARBPZSA-N 1 3 339.480 1.034 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437108 597746331 /nfs/dbraw/zinc/74/63/31/597746331.db2.gz JPDXFCSPAFDUIO-CVEARBPZSA-N 1 3 347.463 1.022 20 0 EDADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1N ZINC000883441953 597748600 /nfs/dbraw/zinc/74/86/00/597748600.db2.gz BDJMZUTYUJGIDJ-DLBZAZTESA-N 1 3 346.475 1.567 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC000879485623 597932468 /nfs/dbraw/zinc/93/24/68/597932468.db2.gz FVLUHWMDIUTLLA-GOSISDBHSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC000879485623 597932470 /nfs/dbraw/zinc/93/24/70/597932470.db2.gz FVLUHWMDIUTLLA-GOSISDBHSA-N 1 3 336.524 1.378 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCc1ccnn1C ZINC000993759098 696352187 /nfs/dbraw/zinc/35/21/87/696352187.db2.gz KGMFXSPUWFZQQL-QAPCUYQASA-N 1 3 347.507 1.274 20 0 EDADHO CC(C)=CCN1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991350 696484764 /nfs/dbraw/zinc/48/47/64/696484764.db2.gz UKHNRUKUVBEHEC-FUHWJXTLSA-N 1 3 347.507 1.994 20 0 EDADHO C[NH+]1CCC(NC(=S)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000920307841 697419187 /nfs/dbraw/zinc/41/91/87/697419187.db2.gz PXJSAAWNPHYEPO-KRWDZBQOSA-N 1 3 332.517 1.819 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000921113068 697515561 /nfs/dbraw/zinc/51/55/61/697515561.db2.gz VZZIWVBIVQTBNY-GVDBMIGSSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H](F)CCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727939 698003096 /nfs/dbraw/zinc/00/30/96/698003096.db2.gz ZOZZVJAKNHUFOK-PBHICJAKSA-N 1 3 341.471 1.426 20 0 EDADHO C[C@@H](F)CCN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727939 698003098 /nfs/dbraw/zinc/00/30/98/698003098.db2.gz ZOZZVJAKNHUFOK-PBHICJAKSA-N 1 3 341.471 1.426 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001031729610 698055363 /nfs/dbraw/zinc/05/53/63/698055363.db2.gz RBPZFECOQTZOID-MSOLQXFVSA-N 1 3 337.508 1.581 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001031729610 698055368 /nfs/dbraw/zinc/05/53/68/698055368.db2.gz RBPZFECOQTZOID-MSOLQXFVSA-N 1 3 337.508 1.581 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001060755967 698299637 /nfs/dbraw/zinc/29/96/37/698299637.db2.gz XHNMOMLUDNWTGI-BZUAXINKSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501761 701561467 /nfs/dbraw/zinc/56/14/67/701561467.db2.gz HEIQQTDHFFOTNF-IBGZPJMESA-N 1 3 348.535 1.345 20 0 EDADHO CC1(C)CC[N@H+](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941567008 701585511 /nfs/dbraw/zinc/58/55/11/701585511.db2.gz OAUVBNQPJDUFNB-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO CC1(C)CC[N@@H+](CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)C1 ZINC000941567008 701585512 /nfs/dbraw/zinc/58/55/12/701585512.db2.gz OAUVBNQPJDUFNB-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941595351 701587224 /nfs/dbraw/zinc/58/72/24/701587224.db2.gz HYEMHSJHCUXGMF-LJQANCHMSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941595351 701587225 /nfs/dbraw/zinc/58/72/25/701587225.db2.gz HYEMHSJHCUXGMF-LJQANCHMSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939394916 699545047 /nfs/dbraw/zinc/54/50/47/699545047.db2.gz DSQDMLLHPBVFNI-WBVHZDCISA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397127 699546914 /nfs/dbraw/zinc/54/69/14/699546914.db2.gz LMWHFVMXLLQAFY-RDJZCZTQSA-N 1 3 333.480 1.089 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)C1CC1 ZINC000940150549 700278055 /nfs/dbraw/zinc/27/80/55/700278055.db2.gz XMSCSQAGAMPVDW-DLBZAZTESA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(CO)cc2)CC1)N(C)C ZINC000940337419 700495260 /nfs/dbraw/zinc/49/52/60/700495260.db2.gz KYFFPNFYTSNCMX-SFHVURJKSA-N 1 3 347.503 1.990 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000940328343 700506393 /nfs/dbraw/zinc/50/63/93/700506393.db2.gz HJUQCTKHNNSZRA-HNNXBMFYSA-N 1 3 345.491 1.740 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940329884 700509538 /nfs/dbraw/zinc/50/95/38/700509538.db2.gz ZFEKCGQIMNAKEU-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940329884 700509539 /nfs/dbraw/zinc/50/95/39/700509539.db2.gz ZFEKCGQIMNAKEU-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940356817 700518437 /nfs/dbraw/zinc/51/84/37/700518437.db2.gz ZMBZRKYJVOHAJV-UHFFFAOYSA-N 1 3 327.432 1.827 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472165 700657523 /nfs/dbraw/zinc/65/75/23/700657523.db2.gz LVYNJBPBOSIVMB-UHFFFAOYSA-N 1 3 347.507 1.767 20 0 EDADHO COc1nccc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000940461498 700664505 /nfs/dbraw/zinc/66/45/05/700664505.db2.gz DCSUVKJGHUBEIX-UHFFFAOYSA-N 1 3 347.463 1.052 20 0 EDADHO Cc1ncc(CNC[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081428 700711283 /nfs/dbraw/zinc/71/12/83/700711283.db2.gz VADLTKKBDXNRPZ-ZBFHGGJFSA-N 1 3 334.464 1.699 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736781 700877835 /nfs/dbraw/zinc/87/78/35/700877835.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 1 3 325.497 1.722 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736781 700877836 /nfs/dbraw/zinc/87/78/36/700877836.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 1 3 325.497 1.722 20 0 EDADHO O=C(N[C@@H]1CC[C@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170184 701676504 /nfs/dbraw/zinc/67/65/04/701676504.db2.gz WJZDWPAZRDUCQO-QWHCGFSZSA-N 1 3 335.477 1.008 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031917555 701017778 /nfs/dbraw/zinc/01/77/78/701017778.db2.gz AIZITMLFFWVOML-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917555 701017780 /nfs/dbraw/zinc/01/77/80/701017780.db2.gz AIZITMLFFWVOML-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941186207 701390721 /nfs/dbraw/zinc/39/07/21/701390721.db2.gz FSXOWRIIXQTALQ-KRWDZBQOSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941186207 701390723 /nfs/dbraw/zinc/39/07/23/701390723.db2.gz FSXOWRIIXQTALQ-KRWDZBQOSA-N 1 3 348.491 1.904 20 0 EDADHO Cn1cncc1CN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221325 701411810 /nfs/dbraw/zinc/41/18/10/701411810.db2.gz QRYGAHCWGCQTRZ-MRXNPFEDSA-N 1 3 333.480 1.233 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205713 702093919 /nfs/dbraw/zinc/09/39/19/702093919.db2.gz GJNBXRIPEKBGMS-MSOLQXFVSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)CCC1 ZINC000995882894 702215899 /nfs/dbraw/zinc/21/58/99/702215899.db2.gz CAGKVZRXZOXGSU-MRXNPFEDSA-N 1 3 347.507 1.274 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccn3)C2)CC[N@@H+]1C ZINC000999208408 706661674 /nfs/dbraw/zinc/66/16/74/706661674.db2.gz MYXFRNPXMVUVNY-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccn3)C2)CC[N@H+]1C ZINC000999208408 706661677 /nfs/dbraw/zinc/66/16/77/706661677.db2.gz MYXFRNPXMVUVNY-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999225515 706682340 /nfs/dbraw/zinc/68/23/40/706682340.db2.gz VBVSQFZRVYKQHN-UHFFFAOYSA-N 1 3 334.464 1.936 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996354940 702732757 /nfs/dbraw/zinc/73/27/57/702732757.db2.gz JXLMSVDGMCPWKB-IAGOWNOFSA-N 1 3 342.443 1.512 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)ccn1 ZINC000996666552 702963600 /nfs/dbraw/zinc/96/36/00/702963600.db2.gz UFEFGJWYPHAXGB-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1nc(CN[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)n[nH]1 ZINC000996672973 702973991 /nfs/dbraw/zinc/97/39/91/702973991.db2.gz RMLBKFDDODJSAG-HNNXBMFYSA-N 1 3 348.495 1.316 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)N(C)C ZINC000996692230 702989463 /nfs/dbraw/zinc/98/94/63/702989463.db2.gz MCFKXEQNYXZKJF-IRXDYDNUSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996997728 703254595 /nfs/dbraw/zinc/25/45/95/703254595.db2.gz GEKJJQUCTNLPOU-NVXWUHKLSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)O1 ZINC000997000228 703257206 /nfs/dbraw/zinc/25/72/06/703257206.db2.gz OELYPGIIUCGDNJ-WBVHZDCISA-N 1 3 337.508 1.866 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997006207 703263383 /nfs/dbraw/zinc/26/33/83/703263383.db2.gz FLJAKSHUYFKRGB-CJNGLKHVSA-N 1 3 348.491 1.824 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997006207 703263385 /nfs/dbraw/zinc/26/33/85/703263385.db2.gz FLJAKSHUYFKRGB-CJNGLKHVSA-N 1 3 348.491 1.824 20 0 EDADHO Cn1cc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000997006602 703263802 /nfs/dbraw/zinc/26/38/02/703263802.db2.gz NEKJQQUCAKRTTI-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997040432 703291028 /nfs/dbraw/zinc/29/10/28/703291028.db2.gz GSVBQHPXQPNCFW-QGZVFWFLSA-N 1 3 328.416 1.266 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000997042293 703292353 /nfs/dbraw/zinc/29/23/53/703292353.db2.gz OVWOKDPRKAOMHS-UHFFFAOYSA-N 1 3 329.404 1.137 20 0 EDADHO C[C@H](NC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000997182050 703466852 /nfs/dbraw/zinc/46/68/52/703466852.db2.gz GCNTWFITHYVGFM-LSDHHAIUSA-N 1 3 331.464 1.460 20 0 EDADHO C[C@H](NC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000997182050 703466853 /nfs/dbraw/zinc/46/68/53/703466853.db2.gz GCNTWFITHYVGFM-LSDHHAIUSA-N 1 3 331.464 1.460 20 0 EDADHO CN(C)c1ccncc1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997186530 703476070 /nfs/dbraw/zinc/47/60/70/703476070.db2.gz OAUBTAWLLIKYCL-UHFFFAOYSA-N 1 3 346.460 1.394 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997188120 703477986 /nfs/dbraw/zinc/47/79/86/703477986.db2.gz OURCVWLJZWIBCG-UHFFFAOYSA-N 1 3 331.464 1.079 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997356675 703587745 /nfs/dbraw/zinc/58/77/45/703587745.db2.gz LEQMWAXUTSWCLY-MRXNPFEDSA-N 1 3 345.487 1.979 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000997366583 703600455 /nfs/dbraw/zinc/60/04/55/703600455.db2.gz HEJDSCNPXSAPFU-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N[C@H](C)c2nncn2C)CC1 ZINC000997366704 703600625 /nfs/dbraw/zinc/60/06/25/703600625.db2.gz JTPBUHZUVIDQJA-ZBFHGGJFSA-N 1 3 348.495 1.331 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(N[C@H](C)c2nncn2C)CC1 ZINC000997366704 703600627 /nfs/dbraw/zinc/60/06/27/703600627.db2.gz JTPBUHZUVIDQJA-ZBFHGGJFSA-N 1 3 348.495 1.331 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004461236 704455120 /nfs/dbraw/zinc/45/51/20/704455120.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004461236 704455122 /nfs/dbraw/zinc/45/51/22/704455122.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785210 704689315 /nfs/dbraw/zinc/68/93/15/704689315.db2.gz UUFWVKYQJNEFHZ-QGZVFWFLSA-N 1 3 345.491 1.090 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)N(C)C ZINC000997854948 704767153 /nfs/dbraw/zinc/76/71/53/704767153.db2.gz ICVRSKSOBIOQPO-WMLDXEAASA-N 1 3 333.480 1.706 20 0 EDADHO C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997871437 704777420 /nfs/dbraw/zinc/77/74/20/704777420.db2.gz LRTRUUQGOSNGJC-CVEARBPZSA-N 1 3 347.503 1.959 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998082498 705310124 /nfs/dbraw/zinc/31/01/24/705310124.db2.gz PZZLIQYQGURSJV-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998083033 705310941 /nfs/dbraw/zinc/31/09/41/705310941.db2.gz SZQSHTKEZIRKDA-INIZCTEOSA-N 1 3 347.507 1.573 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998083033 705310947 /nfs/dbraw/zinc/31/09/47/705310947.db2.gz SZQSHTKEZIRKDA-INIZCTEOSA-N 1 3 347.507 1.573 20 0 EDADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)n1 ZINC000998115785 705370362 /nfs/dbraw/zinc/37/03/62/705370362.db2.gz OSGOONWHQDSJCD-UHFFFAOYSA-N 1 3 341.459 1.992 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998218013 705540985 /nfs/dbraw/zinc/54/09/85/705540985.db2.gz VVRCSEOLVMMXNF-OAHLLOKOSA-N 1 3 336.505 1.813 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998218013 705540990 /nfs/dbraw/zinc/54/09/90/705540990.db2.gz VVRCSEOLVMMXNF-OAHLLOKOSA-N 1 3 336.505 1.813 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998218309 705541146 /nfs/dbraw/zinc/54/11/46/705541146.db2.gz ZUNYPIJQRCMBDP-INIZCTEOSA-N 1 3 333.480 1.090 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998218309 705541152 /nfs/dbraw/zinc/54/11/52/705541152.db2.gz ZUNYPIJQRCMBDP-INIZCTEOSA-N 1 3 333.480 1.090 20 0 EDADHO Cc1nc(C)c(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000998221749 705548101 /nfs/dbraw/zinc/54/81/01/705548101.db2.gz HBEKYCWKJFTFJL-UHFFFAOYSA-N 1 3 346.475 1.715 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998290485 705691165 /nfs/dbraw/zinc/69/11/65/705691165.db2.gz URUBRAJFVKYTFL-KRWDZBQOSA-N 1 3 348.495 1.018 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2cn(C)nn2)CC1 ZINC000998290485 705691168 /nfs/dbraw/zinc/69/11/68/705691168.db2.gz URUBRAJFVKYTFL-KRWDZBQOSA-N 1 3 348.495 1.018 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409130 706918966 /nfs/dbraw/zinc/91/89/66/706918966.db2.gz ORVMEQOJOHKLOP-GRTSSRMGSA-N 1 3 329.435 1.953 20 0 EDADHO Cn1cc(CN[C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)cn1 ZINC000999490591 707026708 /nfs/dbraw/zinc/02/67/08/707026708.db2.gz RCGLDSUKIOFPCS-KRWDZBQOSA-N 1 3 345.491 1.377 20 0 EDADHO COC[C@@H](C)N1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297754 707434243 /nfs/dbraw/zinc/43/42/43/707434243.db2.gz SYLXKAZZAXCNFU-AEFFLSMTSA-N 1 3 347.503 1.972 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033358953 707683979 /nfs/dbraw/zinc/68/39/79/707683979.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033358953 707683982 /nfs/dbraw/zinc/68/39/82/707683982.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 1 3 347.507 1.226 20 0 EDADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038537379 707851134 /nfs/dbraw/zinc/85/11/34/707851134.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 1 3 335.492 1.476 20 0 EDADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001038537379 707851140 /nfs/dbraw/zinc/85/11/40/707851140.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 1 3 335.492 1.476 20 0 EDADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2nc(C)cc2C)C1)N(C)C ZINC001000228006 707893469 /nfs/dbraw/zinc/89/34/69/707893469.db2.gz QNIXEKNFJWZERX-SJORKVTESA-N 1 3 335.496 1.421 20 0 EDADHO COc1ccc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000920755 708076664 /nfs/dbraw/zinc/07/66/64/708076664.db2.gz WNHBUUQPPSXLBT-JKSUJKDBSA-N 1 3 332.448 1.123 20 0 EDADHO COc1ccc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001000920755 708076665 /nfs/dbraw/zinc/07/66/65/708076665.db2.gz WNHBUUQPPSXLBT-JKSUJKDBSA-N 1 3 332.448 1.123 20 0 EDADHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574951 708249172 /nfs/dbraw/zinc/24/91/72/708249172.db2.gz NYYOVAPHRWKDDP-MAUKXSAKSA-N 1 3 337.508 1.676 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594509 708296997 /nfs/dbraw/zinc/29/69/97/708296997.db2.gz QTJVWOKVQOFSFZ-QGZVFWFLSA-N 1 3 345.491 1.128 20 0 EDADHO CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684339 708496210 /nfs/dbraw/zinc/49/62/10/708496210.db2.gz MXICVSBGJRVAPH-CRAIPNDOSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684339 708496213 /nfs/dbraw/zinc/49/62/13/708496213.db2.gz MXICVSBGJRVAPH-CRAIPNDOSA-N 1 3 333.476 1.929 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033938548 709142921 /nfs/dbraw/zinc/14/29/21/709142921.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 1 3 347.507 1.536 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033938548 709142924 /nfs/dbraw/zinc/14/29/24/709142924.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 1 3 347.507 1.536 20 0 EDADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001034014702 709229727 /nfs/dbraw/zinc/22/97/27/709229727.db2.gz CJRDCKRPKVQQOT-IRXDYDNUSA-N 1 3 335.492 1.574 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CCn2cccn2)C1 ZINC001034204268 709526193 /nfs/dbraw/zinc/52/61/93/709526193.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(CCn2cccn2)C1 ZINC001034204268 709526197 /nfs/dbraw/zinc/52/61/97/709526197.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 1 3 347.507 1.727 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001034215309 709568390 /nfs/dbraw/zinc/56/83/90/709568390.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001034215309 709568392 /nfs/dbraw/zinc/56/83/92/709568392.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 1 3 347.507 1.274 20 0 EDADHO CN(C)C(=O)c1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000922097941 709668508 /nfs/dbraw/zinc/66/85/08/709668508.db2.gz FASXGKBQRQOVHB-UHFFFAOYSA-N 1 3 332.492 1.504 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@H]2CCCCN(CCOC3CCC3)C2)CC1 ZINC001034387422 709916740 /nfs/dbraw/zinc/91/67/40/709916740.db2.gz YQYZMSDMXBAIJP-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001034654531 710329389 /nfs/dbraw/zinc/32/93/89/710329389.db2.gz YGWWQSIXCNMYHS-XLAORIBOSA-N 1 3 335.492 1.667 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001003627546 710457534 /nfs/dbraw/zinc/45/75/34/710457534.db2.gz GJDQKUYKVQQKNY-RDJZCZTQSA-N 1 3 337.508 1.866 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737572 710950435 /nfs/dbraw/zinc/95/04/35/710950435.db2.gz MUBPCPZGWWTQMI-VQHPVUNQSA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034737572 710950440 /nfs/dbraw/zinc/95/04/40/710950440.db2.gz MUBPCPZGWWTQMI-VQHPVUNQSA-N 1 3 347.507 1.618 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776432 711053362 /nfs/dbraw/zinc/05/33/62/711053362.db2.gz UCUANNBTYGVQSZ-QBPKDAKJSA-N 1 3 345.491 1.896 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776432 711053366 /nfs/dbraw/zinc/05/33/66/711053366.db2.gz UCUANNBTYGVQSZ-QBPKDAKJSA-N 1 3 345.491 1.896 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@H]2CCC[N@H+]2C(C)C)n[nH]1 ZINC001034958655 711432332 /nfs/dbraw/zinc/43/23/32/711432332.db2.gz LZQZMSMVUGQCTL-HZPDHXFCSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC001034958655 711432336 /nfs/dbraw/zinc/43/23/36/711432336.db2.gz LZQZMSMVUGQCTL-HZPDHXFCSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001034940247 711443433 /nfs/dbraw/zinc/44/34/33/711443433.db2.gz ANGYHODYECWOEJ-MSOLQXFVSA-N 1 3 343.475 1.207 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccns2)CC[N@@H+]1C ZINC001034940937 711444955 /nfs/dbraw/zinc/44/49/55/711444955.db2.gz HWFBWZMKGJRHHU-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccns2)CC[N@H+]1C ZINC001034940937 711444956 /nfs/dbraw/zinc/44/49/56/711444956.db2.gz HWFBWZMKGJRHHU-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390457 711454083 /nfs/dbraw/zinc/45/40/83/711454083.db2.gz MUPICEFTWJMLMA-RJZRQDKASA-N 1 3 346.397 1.998 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390457 711454085 /nfs/dbraw/zinc/45/40/85/711454085.db2.gz MUPICEFTWJMLMA-RJZRQDKASA-N 1 3 346.397 1.998 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000558750214 306246480 /nfs/dbraw/zinc/24/64/80/306246480.db2.gz WUVPJQJIVRMDLW-UHFFFAOYSA-N 1 3 338.496 1.857 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000560747003 306278512 /nfs/dbraw/zinc/27/85/12/306278512.db2.gz JDUZTOFADZPRPO-DLBZAZTESA-N 1 3 337.533 1.899 20 0 EDADHO [NH3+][C@@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000561159741 306283300 /nfs/dbraw/zinc/28/33/00/306283300.db2.gz ZAVZWHCDQPYWKA-HNNXBMFYSA-N 1 3 340.537 1.775 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc12 ZINC000562329036 306295697 /nfs/dbraw/zinc/29/56/97/306295697.db2.gz CEMGHWNKZTVMDL-MSOLQXFVSA-N 1 3 343.475 1.744 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562746175 306307522 /nfs/dbraw/zinc/30/75/22/306307522.db2.gz CNTMOJGYFSCYBL-CABCVRRESA-N 1 3 332.448 1.830 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417737313 282903705 /nfs/dbraw/zinc/90/37/05/282903705.db2.gz NOIDVWZHVVPXGL-KRWDZBQOSA-N 1 3 332.492 1.902 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775053 291050243 /nfs/dbraw/zinc/05/02/43/291050243.db2.gz ONBVNEIZGNPYEW-UONOGXRCSA-N 1 3 341.839 1.339 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000339495322 291068951 /nfs/dbraw/zinc/06/89/51/291068951.db2.gz WZEWVEHTPYXFTL-STQMWFEESA-N 1 3 338.496 1.011 20 0 EDADHO C[C@H]1[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000563591668 306340558 /nfs/dbraw/zinc/34/05/58/306340558.db2.gz YFOAYIIIZUFAGW-ATLSCFEFSA-N 1 3 330.476 1.947 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)COC1CC[NH2+]CC1 ZINC000563704930 306345601 /nfs/dbraw/zinc/34/56/01/306345601.db2.gz BTIKMHPDPUBEDO-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000564224467 306357596 /nfs/dbraw/zinc/35/75/96/306357596.db2.gz VKTOQMSIBLSUKB-IYBDPMFKSA-N 1 3 335.496 1.543 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000564224467 306357597 /nfs/dbraw/zinc/35/75/97/306357597.db2.gz VKTOQMSIBLSUKB-IYBDPMFKSA-N 1 3 335.496 1.543 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250024 305294412 /nfs/dbraw/zinc/29/44/12/305294412.db2.gz RGMHTVXWUBJJDQ-JKSUJKDBSA-N 1 3 342.553 1.797 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000565221741 306379270 /nfs/dbraw/zinc/37/92/70/306379270.db2.gz LNBHKKPAJCYFQD-UHFFFAOYSA-N 1 3 337.489 1.640 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1 ZINC000566019621 306396824 /nfs/dbraw/zinc/39/68/24/306396824.db2.gz NRXCMRTWWFZXTJ-SFHVURJKSA-N 1 3 333.476 1.367 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 ZINC000414701697 304130075 /nfs/dbraw/zinc/13/00/75/304130075.db2.gz KOOVEBYSVMEATK-CABCVRRESA-N 1 3 346.475 1.724 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000414701699 304130019 /nfs/dbraw/zinc/13/00/19/304130019.db2.gz KOOVEBYSVMEATK-HUUCEWRRSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCC[C@@H](C)C1 ZINC000414708410 304130820 /nfs/dbraw/zinc/13/08/20/304130820.db2.gz QHGVXHDRJYKFIL-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000414715928 304132110 /nfs/dbraw/zinc/13/21/10/304132110.db2.gz XWAHVYUEBWNQNJ-AWEZNQCLSA-N 1 3 332.448 1.493 20 0 EDADHO CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414715251 304132325 /nfs/dbraw/zinc/13/23/25/304132325.db2.gz YKAPUBXQAUJXTF-ZWKOTPCHSA-N 1 3 333.476 1.457 20 0 EDADHO CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414715251 304132326 /nfs/dbraw/zinc/13/23/26/304132326.db2.gz YKAPUBXQAUJXTF-ZWKOTPCHSA-N 1 3 333.476 1.457 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746111 304136406 /nfs/dbraw/zinc/13/64/06/304136406.db2.gz QEEHNVVLSJFWQB-KGLIPLIRSA-N 1 3 337.414 1.951 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746111 304136408 /nfs/dbraw/zinc/13/64/08/304136408.db2.gz QEEHNVVLSJFWQB-KGLIPLIRSA-N 1 3 337.414 1.951 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000414757526 304137345 /nfs/dbraw/zinc/13/73/45/304137345.db2.gz XHNIWWMUMKEOOR-OAHLLOKOSA-N 1 3 331.464 1.702 20 0 EDADHO COc1cc(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)n1 ZINC000414997218 304149438 /nfs/dbraw/zinc/14/94/38/304149438.db2.gz YIUOZGGBSSFYNL-CQSZACIVSA-N 1 3 346.397 1.633 20 0 EDADHO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000266649103 284197464 /nfs/dbraw/zinc/19/74/64/284197464.db2.gz FDXGCKHRLFYMIZ-OALUTQOASA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000266649103 284197465 /nfs/dbraw/zinc/19/74/65/284197465.db2.gz FDXGCKHRLFYMIZ-OALUTQOASA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266649103 284197467 /nfs/dbraw/zinc/19/74/67/284197467.db2.gz FDXGCKHRLFYMIZ-OALUTQOASA-N 1 3 340.471 1.917 20 0 EDADHO [NH3+][C@H]1CCN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000415070960 304157077 /nfs/dbraw/zinc/15/70/77/304157077.db2.gz RVHMIMYIJPAJCM-HNNXBMFYSA-N 1 3 334.489 1.843 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(-n2cccn2)c1 ZINC000415075473 304157869 /nfs/dbraw/zinc/15/78/69/304157869.db2.gz BNNRHNDCMNIWFF-HOTGVXAUSA-N 1 3 341.459 1.720 20 0 EDADHO NC(=O)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100180 304160140 /nfs/dbraw/zinc/16/01/40/304160140.db2.gz HQTCSZGNGMPPQG-DZJNRPSUSA-N 1 3 333.451 1.980 20 0 EDADHO CCN(C)CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103311172 204074359 /nfs/dbraw/zinc/07/43/59/204074359.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 1 3 332.492 1.802 20 0 EDADHO CCN(C)CCNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103311172 204074363 /nfs/dbraw/zinc/07/43/63/204074363.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 1 3 332.492 1.802 20 0 EDADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146096 304164863 /nfs/dbraw/zinc/16/48/63/304164863.db2.gz GCBDSHBOJFPHBQ-JKSUJKDBSA-N 1 3 330.432 1.169 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000415152824 304166232 /nfs/dbraw/zinc/16/62/32/304166232.db2.gz SOSAUYFKGCZQTR-UHFFFAOYSA-N 1 3 344.459 1.431 20 0 EDADHO CCCN1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000236793541 139031626 /nfs/dbraw/zinc/03/16/26/139031626.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 1 3 331.504 1.870 20 0 EDADHO CCC[NH+]1CCC(NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000236793541 139031627 /nfs/dbraw/zinc/03/16/27/139031627.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 1 3 331.504 1.870 20 0 EDADHO C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000126323406 205051578 /nfs/dbraw/zinc/05/15/78/205051578.db2.gz LKXIBUZGVXLWEH-QAPCUYQASA-N 1 3 336.480 1.119 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000237719146 139058522 /nfs/dbraw/zinc/05/85/22/139058522.db2.gz GAMRBOZVEFVHRF-GOSISDBHSA-N 1 3 330.476 1.361 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288748 139102636 /nfs/dbraw/zinc/10/26/36/139102636.db2.gz CEBVGICBLBZXHB-HZPDHXFCSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288748 139102637 /nfs/dbraw/zinc/10/26/37/139102637.db2.gz CEBVGICBLBZXHB-HZPDHXFCSA-N 1 3 342.553 1.940 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000247476968 139149657 /nfs/dbraw/zinc/14/96/57/139149657.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000247476968 139149658 /nfs/dbraw/zinc/14/96/58/139149658.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000169105329 206548340 /nfs/dbraw/zinc/54/83/40/206548340.db2.gz YXKYAUNYMLKVGG-SJLPKXTDSA-N 1 3 331.460 1.174 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000248078815 139158214 /nfs/dbraw/zinc/15/82/14/139158214.db2.gz RMHSDMIICDOAOU-QZTJIDSGSA-N 1 3 348.491 1.651 20 0 EDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000261754725 139223322 /nfs/dbraw/zinc/22/33/22/139223322.db2.gz PILJNDPNWUGXKY-HOCLYGCPSA-N 1 3 339.505 1.777 20 0 EDADHO CN(C)C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000261982245 139241721 /nfs/dbraw/zinc/24/17/21/139241721.db2.gz WLUISNXQVHQSAJ-QGZVFWFLSA-N 1 3 327.472 1.592 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415489882 304224583 /nfs/dbraw/zinc/22/45/83/304224583.db2.gz BQQPIPLZQFWVBR-OAHLLOKOSA-N 1 3 334.464 1.363 20 0 EDADHO [NH3+]CC1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCOCC1 ZINC000262078632 139249147 /nfs/dbraw/zinc/24/91/47/139249147.db2.gz CHLCOFSQFGVUEI-UHFFFAOYSA-N 1 3 345.487 1.565 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@](C)(C[NH3+])C3)CC2)c1 ZINC000262134897 139254031 /nfs/dbraw/zinc/25/40/31/139254031.db2.gz WUAFXJQDPCZSRV-HXUWFJFHSA-N 1 3 344.503 1.704 20 0 EDADHO CCN1CCN(CCCCNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415993584 251045259 /nfs/dbraw/zinc/04/52/59/251045259.db2.gz UCHCFFHNPXOENS-UHFFFAOYSA-N 1 3 347.507 1.945 20 0 EDADHO COCC1(CNC(=O)NCc2ccc(CN(C)C)cc2)CC[NH2+]CC1 ZINC000416874976 251114393 /nfs/dbraw/zinc/11/43/93/251114393.db2.gz ATGFWTXQNYREIN-UHFFFAOYSA-N 1 3 348.491 1.564 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417543658 251185003 /nfs/dbraw/zinc/18/50/03/251185003.db2.gz GBUWLSLMSGKYNP-UONOGXRCSA-N 1 3 326.485 1.255 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573022 251192364 /nfs/dbraw/zinc/19/23/64/251192364.db2.gz WHPBOKSKGZBPLG-QZTJIDSGSA-N 1 3 348.491 1.877 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417571835 251192602 /nfs/dbraw/zinc/19/26/02/251192602.db2.gz UXWQBCQMSOYQGQ-KRWDZBQOSA-N 1 3 332.448 1.200 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622563 251208554 /nfs/dbraw/zinc/20/85/54/251208554.db2.gz HKVFBAFNECJZHN-KGLIPLIRSA-N 1 3 328.526 1.773 20 0 EDADHO CN(C)C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000417731072 251246512 /nfs/dbraw/zinc/24/65/12/251246512.db2.gz FHIKUAVVVRIPKX-GOSISDBHSA-N 1 3 344.503 1.917 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417745351 251251911 /nfs/dbraw/zinc/25/19/11/251251911.db2.gz DXJIYGITBUAMJM-IXDOHACOSA-N 1 3 339.528 1.077 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000417742648 251253107 /nfs/dbraw/zinc/25/31/07/251253107.db2.gz WHXUDADDBCHMCR-QZTJIDSGSA-N 1 3 342.487 1.337 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000417806704 251278627 /nfs/dbraw/zinc/27/86/27/251278627.db2.gz JEYOKRAVZAFXND-HOCLYGCPSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262503926 139283031 /nfs/dbraw/zinc/28/30/31/139283031.db2.gz AXWMOBXQTAUOGR-WFASDCNBSA-N 1 3 329.366 1.904 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)CN1C1CC1 ZINC000417854363 251299418 /nfs/dbraw/zinc/29/94/18/251299418.db2.gz JPFQHXZSHADCSD-GDBMZVCRSA-N 1 3 331.464 1.486 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)CN1C1CC1 ZINC000417858333 251300731 /nfs/dbraw/zinc/30/07/31/251300731.db2.gz PKKMZZZVKQCACU-RDJZCZTQSA-N 1 3 330.476 1.825 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000262713675 139298271 /nfs/dbraw/zinc/29/82/71/139298271.db2.gz DCMBOFYOVWSNRY-INIZCTEOSA-N 1 3 332.492 1.568 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000262859147 139308602 /nfs/dbraw/zinc/30/86/02/139308602.db2.gz LAOPNMSFWZLTMB-KBPBESRZSA-N 1 3 325.478 1.440 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878328 252007850 /nfs/dbraw/zinc/00/78/50/252007850.db2.gz IZKPRUOHNBDTPP-CEXWTWQISA-N 1 3 343.519 1.844 20 0 EDADHO CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422865777 252004982 /nfs/dbraw/zinc/00/49/82/252004982.db2.gz ZBYPDGOYIFZODT-HZPDHXFCSA-N 1 3 326.462 1.719 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059227 252030366 /nfs/dbraw/zinc/03/03/66/252030366.db2.gz FIVCEKYXDCDAEN-LSDHHAIUSA-N 1 3 336.480 1.609 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000423551395 252062339 /nfs/dbraw/zinc/06/23/39/252062339.db2.gz BJGFYOMFCOMGNF-OAHLLOKOSA-N 1 3 332.448 1.287 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000422907654 252018028 /nfs/dbraw/zinc/01/80/28/252018028.db2.gz XJRYZJMXONZFRL-QXAKKESOSA-N 1 3 349.544 1.742 20 0 EDADHO CC[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)[C@H]1CCCCN1 ZINC000422904840 252018544 /nfs/dbraw/zinc/01/85/44/252018544.db2.gz YBNQUFOXZIGVOK-VNQPRFMTSA-N 1 3 336.432 1.665 20 0 EDADHO C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313554 252196642 /nfs/dbraw/zinc/19/66/42/252196642.db2.gz JIAAVUOLWIGQLL-CZUORRHYSA-N 1 3 333.432 1.425 20 0 EDADHO C[C@H]1CC2(CN1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389121 252206947 /nfs/dbraw/zinc/20/69/47/252206947.db2.gz ZYXLOIIOUTZVLB-AWEZNQCLSA-N 1 3 336.505 1.944 20 0 EDADHO C[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)CN1CCN(C)CC1 ZINC000425901525 252312927 /nfs/dbraw/zinc/31/29/27/252312927.db2.gz PWLXXKVFWURESC-OAHLLOKOSA-N 1 3 335.496 1.115 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055390 /nfs/dbraw/zinc/05/53/90/285055390.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055391 /nfs/dbraw/zinc/05/53/91/285055391.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263272766 139332446 /nfs/dbraw/zinc/33/24/46/139332446.db2.gz XJSPKURRAYUWBX-HOCLYGCPSA-N 1 3 340.512 1.103 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC000263272766 139332447 /nfs/dbraw/zinc/33/24/47/139332447.db2.gz XJSPKURRAYUWBX-HOCLYGCPSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCOCCN(C)C)C1 ZINC000471646273 255015404 /nfs/dbraw/zinc/01/54/04/255015404.db2.gz ULJJPEZWXWQQJT-IYBDPMFKSA-N 1 3 328.501 1.232 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCOCCN(C)C)C1 ZINC000471646273 255015405 /nfs/dbraw/zinc/01/54/05/255015405.db2.gz ULJJPEZWXWQQJT-IYBDPMFKSA-N 1 3 328.501 1.232 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccncc1OCCN(C)C ZINC000494673653 255257295 /nfs/dbraw/zinc/25/72/95/255257295.db2.gz RLVWBMZRWWOYCP-MRXNPFEDSA-N 1 3 348.491 1.903 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccncc1OCCN(C)C ZINC000494673653 255257296 /nfs/dbraw/zinc/25/72/96/255257296.db2.gz RLVWBMZRWWOYCP-MRXNPFEDSA-N 1 3 348.491 1.903 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276799 285278753 /nfs/dbraw/zinc/27/87/53/285278753.db2.gz XGVYVUKRCMMPJL-CABCVRRESA-N 1 3 337.468 1.793 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276799 285278756 /nfs/dbraw/zinc/27/87/56/285278756.db2.gz XGVYVUKRCMMPJL-CABCVRRESA-N 1 3 337.468 1.793 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COc3cccnc3)CC2)CC1 ZINC000263962341 139372529 /nfs/dbraw/zinc/37/25/29/139372529.db2.gz QHQBIFPZMWREIJ-UHFFFAOYSA-N 1 3 332.448 1.135 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417756148 285318618 /nfs/dbraw/zinc/31/86/18/285318618.db2.gz RWUDOMBWFBZPRO-RDJZCZTQSA-N 1 3 339.528 1.077 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000415929437 304285843 /nfs/dbraw/zinc/28/58/43/304285843.db2.gz HCHUZUICBFNESX-QGZVFWFLSA-N 1 3 334.464 1.764 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331638131 141060445 /nfs/dbraw/zinc/06/04/45/141060445.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 1 3 337.468 1.113 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000331638131 141060446 /nfs/dbraw/zinc/06/04/46/141060446.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 1 3 337.468 1.113 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000333332330 141300817 /nfs/dbraw/zinc/30/08/17/141300817.db2.gz OLQSUFVDMALVAW-SFHVURJKSA-N 1 3 330.432 1.728 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4c(c3)CNCCO4)C2)C1 ZINC000333332330 141300818 /nfs/dbraw/zinc/30/08/18/141300818.db2.gz OLQSUFVDMALVAW-SFHVURJKSA-N 1 3 330.432 1.728 20 0 EDADHO C[C@H]1COCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000333406348 141312899 /nfs/dbraw/zinc/31/28/99/141312899.db2.gz GEMYRKYUXBYFHH-YOEHRIQHSA-N 1 3 338.496 1.269 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000333471219 141322634 /nfs/dbraw/zinc/32/26/34/141322634.db2.gz ASXPRBMMAVBGKX-ZBFHGGJFSA-N 1 3 329.510 1.312 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719706 141365202 /nfs/dbraw/zinc/36/52/02/141365202.db2.gz UJEXARBZXBKBCO-HNNXBMFYSA-N 1 3 336.480 1.191 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000346954825 143265755 /nfs/dbraw/zinc/26/57/55/143265755.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000346954825 143265756 /nfs/dbraw/zinc/26/57/56/143265756.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000346997237 143269529 /nfs/dbraw/zinc/26/95/29/143269529.db2.gz WBZCNHOANJHKSP-ZDUSSCGKSA-N 1 3 326.485 1.316 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C1 ZINC000347479895 143326960 /nfs/dbraw/zinc/32/69/60/143326960.db2.gz NILJTFFEXMNHAN-LDBYLJPUSA-N 1 3 338.496 1.362 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C1 ZINC000347479895 143326961 /nfs/dbraw/zinc/32/69/61/143326961.db2.gz NILJTFFEXMNHAN-LDBYLJPUSA-N 1 3 338.496 1.362 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000369702594 155142176 /nfs/dbraw/zinc/14/21/76/155142176.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000369702594 155142178 /nfs/dbraw/zinc/14/21/78/155142178.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369702594 155142179 /nfs/dbraw/zinc/14/21/79/155142179.db2.gz JKYGVNLSPJIJFO-SJLPKXTDSA-N 1 3 330.476 1.280 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000369770918 155171174 /nfs/dbraw/zinc/17/11/74/155171174.db2.gz RZLUUHBCFOJYHY-SFHVURJKSA-N 1 3 336.524 1.348 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)[C@H](C)C1 ZINC000353434371 286060554 /nfs/dbraw/zinc/06/05/54/286060554.db2.gz DGWKGQLZQMQSLJ-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)[C@H](C)C1 ZINC000353434371 286060555 /nfs/dbraw/zinc/06/05/55/286060555.db2.gz DGWKGQLZQMQSLJ-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416856043 304352093 /nfs/dbraw/zinc/35/20/93/304352093.db2.gz QRDUAUPGTLSVQF-FUHWJXTLSA-N 1 3 346.475 1.883 20 0 EDADHO CCCN(C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416859431 304352524 /nfs/dbraw/zinc/35/25/24/304352524.db2.gz ZXUWLNRWUSTFKU-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000417309657 292200017 /nfs/dbraw/zinc/20/00/17/292200017.db2.gz JCBKABJSHTXJDG-CABCVRRESA-N 1 3 340.418 1.894 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)C1(C(=O)OC)CCC1 ZINC000353336684 149371034 /nfs/dbraw/zinc/37/10/34/149371034.db2.gz NJRHHERNNVENNM-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416962517 304355906 /nfs/dbraw/zinc/35/59/06/304355906.db2.gz AKRUKCRWGRITKA-RHSMWYFYSA-N 1 3 334.464 1.424 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971984 304357830 /nfs/dbraw/zinc/35/78/30/304357830.db2.gz FHFJMQZUTNRMPB-PBHICJAKSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971986 304357857 /nfs/dbraw/zinc/35/78/57/304357857.db2.gz FHFJMQZUTNRMPB-WMLDXEAASA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416976428 304359389 /nfs/dbraw/zinc/35/93/89/304359389.db2.gz QUDSDWCDBIFGHP-GOEBONIOSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416976430 304359499 /nfs/dbraw/zinc/35/94/99/304359499.db2.gz QUDSDWCDBIFGHP-ZBFHGGJFSA-N 1 3 334.464 1.506 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866703 150002403 /nfs/dbraw/zinc/00/24/03/150002403.db2.gz XCURPUGLEMGXJD-MSOLQXFVSA-N 1 3 333.476 1.642 20 0 EDADHO O=C(NCCN1CC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417030886 304362798 /nfs/dbraw/zinc/36/27/98/304362798.db2.gz PTIDPFAREPMEAV-SFHVURJKSA-N 1 3 345.491 1.028 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417034007 304363722 /nfs/dbraw/zinc/36/37/22/304363722.db2.gz RPFYFPZKOKPCMR-RTBURBONSA-N 1 3 342.487 1.828 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094983 151268294 /nfs/dbraw/zinc/26/82/94/151268294.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 1 3 349.523 1.058 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094983 151268296 /nfs/dbraw/zinc/26/82/96/151268296.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 1 3 349.523 1.058 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358135939 151284812 /nfs/dbraw/zinc/28/48/12/151284812.db2.gz KWHIWFRPXROGNZ-MRXNPFEDSA-N 1 3 342.528 1.904 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358135939 151284814 /nfs/dbraw/zinc/28/48/14/151284814.db2.gz KWHIWFRPXROGNZ-MRXNPFEDSA-N 1 3 342.528 1.904 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358142920 151286776 /nfs/dbraw/zinc/28/67/76/151286776.db2.gz RWKRXFCJIPOYER-HNNXBMFYSA-N 1 3 349.479 1.651 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358142920 151286779 /nfs/dbraw/zinc/28/67/79/151286779.db2.gz RWKRXFCJIPOYER-HNNXBMFYSA-N 1 3 349.479 1.651 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417116590 304374085 /nfs/dbraw/zinc/37/40/85/304374085.db2.gz PPIUFDSRCUIGKA-AWEZNQCLSA-N 1 3 328.526 1.775 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000360412838 152028144 /nfs/dbraw/zinc/02/81/44/152028144.db2.gz IPWUICMZKGSWRP-KRWDZBQOSA-N 1 3 342.553 1.987 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCSC1 ZINC000360743219 152180520 /nfs/dbraw/zinc/18/05/20/152180520.db2.gz CPUOJPPEDWUULG-QGZVFWFLSA-N 1 3 340.537 1.694 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)C2CC2)[C@H](C)C1 ZINC000360855899 152230814 /nfs/dbraw/zinc/23/08/14/152230814.db2.gz FVUYXIJSRUUDLK-WBVHZDCISA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)C2CC2)[C@H](C)C1 ZINC000360855899 152230815 /nfs/dbraw/zinc/23/08/15/152230815.db2.gz FVUYXIJSRUUDLK-WBVHZDCISA-N 1 3 340.512 1.517 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C2CC[NH+](C)CC2)c1 ZINC000361076963 152296220 /nfs/dbraw/zinc/29/62/20/152296220.db2.gz XFHJTAILEKIAFD-UHFFFAOYSA-N 1 3 333.476 1.927 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162572 152324383 /nfs/dbraw/zinc/32/43/83/152324383.db2.gz CTGWWBVJDUXMQL-DZGCQCFKSA-N 1 3 333.432 1.653 20 0 EDADHO CCn1ccnc1CN(C(=O)CN(C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165295 155358889 /nfs/dbraw/zinc/35/88/89/155358889.db2.gz VCDCRMIXVSAPCG-MRXNPFEDSA-N 1 3 347.507 1.714 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417178415 304381057 /nfs/dbraw/zinc/38/10/57/304381057.db2.gz DPFACIKYLOZMDU-KGLIPLIRSA-N 1 3 328.407 1.441 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000778 /nfs/dbraw/zinc/00/07/78/153000778.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 1 3 334.508 1.844 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000780 /nfs/dbraw/zinc/00/07/80/153000780.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 1 3 334.508 1.844 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000363704418 153034571 /nfs/dbraw/zinc/03/45/71/153034571.db2.gz ULESSGKUXDQIDT-IASZTOCISA-N 1 3 331.435 2.000 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCOCC1(C)C ZINC000363784275 153055759 /nfs/dbraw/zinc/05/57/59/153055759.db2.gz AVDCCAWMUNUUCY-SQNIBIBYSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCOCC1(C)C ZINC000363784275 153055761 /nfs/dbraw/zinc/05/57/61/153055761.db2.gz AVDCCAWMUNUUCY-SQNIBIBYSA-N 1 3 339.524 1.576 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004171 153120402 /nfs/dbraw/zinc/12/04/02/153120402.db2.gz RZDPZWPCILLWCQ-FRQCXROJSA-N 1 3 337.508 1.948 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364122846 153150703 /nfs/dbraw/zinc/15/07/03/153150703.db2.gz NTHLIPMZBWDSBE-CYJAXWMASA-N 1 3 337.508 1.852 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364122846 153150707 /nfs/dbraw/zinc/15/07/07/153150707.db2.gz NTHLIPMZBWDSBE-CYJAXWMASA-N 1 3 337.508 1.852 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000574299593 306647950 /nfs/dbraw/zinc/64/79/50/306647950.db2.gz VYVBBVJEESNCSZ-INIZCTEOSA-N 1 3 338.496 1.130 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417357128 304394466 /nfs/dbraw/zinc/39/44/66/304394466.db2.gz GEGLYRAFNKKKHP-QGZVFWFLSA-N 1 3 346.475 1.663 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417358321 304394891 /nfs/dbraw/zinc/39/48/91/304394891.db2.gz FIYCHQFAVVYERQ-CZUORRHYSA-N 1 3 336.505 1.997 20 0 EDADHO CCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012919 /nfs/dbraw/zinc/01/29/19/155012919.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 1 3 326.485 1.127 20 0 EDADHO CCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012923 /nfs/dbraw/zinc/01/29/23/155012923.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 1 3 326.485 1.127 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417442839 292348439 /nfs/dbraw/zinc/34/84/39/292348439.db2.gz WHJWDMSWJRYPIB-HUUCEWRRSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]1COCCN1CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374083679 157136442 /nfs/dbraw/zinc/13/64/42/157136442.db2.gz MVAAAOLVCDMLCX-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@@H]1COCCN1CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000374083679 157136448 /nfs/dbraw/zinc/13/64/48/157136448.db2.gz MVAAAOLVCDMLCX-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374417193 157283900 /nfs/dbraw/zinc/28/39/00/157283900.db2.gz BSYWVPJHYWMSIO-CABCVRRESA-N 1 3 325.522 1.995 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374417193 157283903 /nfs/dbraw/zinc/28/39/03/157283903.db2.gz BSYWVPJHYWMSIO-CABCVRRESA-N 1 3 325.522 1.995 20 0 EDADHO COCCC[N@@H+]1CCCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000378205630 158108542 /nfs/dbraw/zinc/10/85/42/158108542.db2.gz NFOVLHRPUWPYKD-UHFFFAOYSA-N 1 3 331.460 1.054 20 0 EDADHO COCCC[N@H+]1CCCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000378205630 158108543 /nfs/dbraw/zinc/10/85/43/158108543.db2.gz NFOVLHRPUWPYKD-UHFFFAOYSA-N 1 3 331.460 1.054 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000352207794 162050270 /nfs/dbraw/zinc/05/02/70/162050270.db2.gz DFDKGMGCNZJBCT-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000352223240 162059020 /nfs/dbraw/zinc/05/90/20/162059020.db2.gz RAIGTQLYMDGNBJ-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H]1C ZINC000418187134 304461713 /nfs/dbraw/zinc/46/17/13/304461713.db2.gz CXSYMPKGTKSTAO-HUUCEWRRSA-N 1 3 349.479 1.304 20 0 EDADHO CN(Cc1ccccn1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761692 287221742 /nfs/dbraw/zinc/22/17/42/287221742.db2.gz YNPSNKSRTAWSHW-UHFFFAOYSA-N 1 3 345.491 1.782 20 0 EDADHO Cn1cc(C(=O)NCC2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000124235674 287396157 /nfs/dbraw/zinc/39/61/57/287396157.db2.gz NNXGFKPRYWFCJH-QGZVFWFLSA-N 1 3 333.480 1.346 20 0 EDADHO Cn1cc(C(=O)NCC2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000124235674 287396159 /nfs/dbraw/zinc/39/61/59/287396159.db2.gz NNXGFKPRYWFCJH-QGZVFWFLSA-N 1 3 333.480 1.346 20 0 EDADHO Cn1cc(C(=O)NCC2CC[NH+](CC[C@H]3CCCN3C)CC2)cn1 ZINC000124235674 287396162 /nfs/dbraw/zinc/39/61/62/287396162.db2.gz NNXGFKPRYWFCJH-QGZVFWFLSA-N 1 3 333.480 1.346 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000665762064 452336027 /nfs/dbraw/zinc/33/60/27/452336027.db2.gz ZNMOPVZKXILCQF-HNNXBMFYSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420354706 287633833 /nfs/dbraw/zinc/63/38/33/287633833.db2.gz BIHRFRBFTKDLDA-RRIFGTCXSA-N 1 3 332.492 1.382 20 0 EDADHO OCCO[C@@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOC1 ZINC000657598942 452371137 /nfs/dbraw/zinc/37/11/37/452371137.db2.gz WBCIRWPZVFZIBG-GOSISDBHSA-N 1 3 326.481 1.541 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000193589951 272996488 /nfs/dbraw/zinc/99/64/88/272996488.db2.gz NESKADNBYPQBAH-YJBOKZPZSA-N 1 3 330.476 1.699 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000274832905 268218240 /nfs/dbraw/zinc/21/82/40/268218240.db2.gz UTSUMKHHSLQLFS-UHFFFAOYSA-N 1 3 345.487 1.921 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000104532847 272919667 /nfs/dbraw/zinc/91/96/67/272919667.db2.gz YPPVMKVWUQCMEY-UHFFFAOYSA-N 1 3 346.475 1.601 20 0 EDADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCOCC1 ZINC000277114034 273180024 /nfs/dbraw/zinc/18/00/24/273180024.db2.gz XYDWOHCBZSAINY-GOSISDBHSA-N 1 3 334.460 1.538 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000365663943 274352441 /nfs/dbraw/zinc/35/24/41/274352441.db2.gz QFUYQCQJKDBNEQ-BMFZPTHFSA-N 1 3 329.448 1.889 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000365663943 274352443 /nfs/dbraw/zinc/35/24/43/274352443.db2.gz QFUYQCQJKDBNEQ-BMFZPTHFSA-N 1 3 329.448 1.889 20 0 EDADHO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@@H]2C1 ZINC000333322053 277174761 /nfs/dbraw/zinc/17/47/61/277174761.db2.gz NDOZBGJOHVLCDN-XJKSGUPXSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@@H]2C1 ZINC000333322053 277174762 /nfs/dbraw/zinc/17/47/62/277174762.db2.gz NDOZBGJOHVLCDN-XJKSGUPXSA-N 1 3 330.432 1.727 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000361407007 277384787 /nfs/dbraw/zinc/38/47/87/277384787.db2.gz XKEYCVSOKARYAP-SJORKVTESA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)N(C)C ZINC000286963995 288127027 /nfs/dbraw/zinc/12/70/27/288127027.db2.gz AXUXSEAYFMZIME-HNNXBMFYSA-N 1 3 343.475 1.792 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359278901 280097818 /nfs/dbraw/zinc/09/78/18/280097818.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359278901 280097819 /nfs/dbraw/zinc/09/78/19/280097819.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417730625 282035376 /nfs/dbraw/zinc/03/53/76/282035376.db2.gz DNZHFLMUWVSJGS-MSOLQXFVSA-N 1 3 342.487 1.337 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000288553110 288513008 /nfs/dbraw/zinc/51/30/08/288513008.db2.gz VTNWKSJPXCQBFI-NVXWUHKLSA-N 1 3 346.475 1.721 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000333705972 289186154 /nfs/dbraw/zinc/18/61/54/289186154.db2.gz SCDRALRJSQLCFN-CABCVRRESA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000333705972 289186157 /nfs/dbraw/zinc/18/61/57/289186157.db2.gz SCDRALRJSQLCFN-CABCVRRESA-N 1 3 334.468 1.393 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000340856081 289280847 /nfs/dbraw/zinc/28/08/47/289280847.db2.gz CNBVLNMAHHXEFV-RTBURBONSA-N 1 3 342.487 1.815 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@]1(F)CCNC1 ZINC000169124843 297032633 /nfs/dbraw/zinc/03/26/33/297032633.db2.gz NAYYOOWHTITXFH-CLCXKQKWSA-N 1 3 333.451 1.961 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414874004 447337820 /nfs/dbraw/zinc/33/78/20/447337820.db2.gz AIVQNDMLSAEDFM-XKQJLSEDSA-N 1 3 332.448 1.828 20 0 EDADHO C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)c1ccc(OCCN(C)C)cc1 ZINC000421873621 304816778 /nfs/dbraw/zinc/81/67/78/304816778.db2.gz HVNZWHZASFYQAD-HOCLYGCPSA-N 1 3 344.463 1.669 20 0 EDADHO c1c2c(nn1-c1ccccc1)CCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423205378 304889224 /nfs/dbraw/zinc/88/92/24/304889224.db2.gz PLPGKLNHIDERJU-GOSISDBHSA-N 1 3 325.460 1.745 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)COC1CC[NH2+]CC1 ZINC000423633179 304902686 /nfs/dbraw/zinc/90/26/86/304902686.db2.gz ATZOBDQXQNLHDK-UHFFFAOYSA-N 1 3 337.439 1.485 20 0 EDADHO O=C(COC1CNC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000430894494 305067186 /nfs/dbraw/zinc/06/71/86/305067186.db2.gz NFYUAMCPNGWUBQ-UHFFFAOYSA-N 1 3 331.460 1.667 20 0 EDADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1 ZINC000430953366 305070534 /nfs/dbraw/zinc/07/05/34/305070534.db2.gz SZDWBKAAJQYSHO-INIZCTEOSA-N 1 3 333.476 1.973 20 0 EDADHO CC(C)[NH+](CCNC(=O)NCCCN1CCCO[C@H](C)C1)C(C)C ZINC000433284256 305104793 /nfs/dbraw/zinc/10/47/93/305104793.db2.gz QGGULUUEXBLLNY-QGZVFWFLSA-N 1 3 342.528 1.905 20 0 EDADHO CC[N@H+](CCNC(=O)NCCCN1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105924 /nfs/dbraw/zinc/10/59/24/305105924.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+](CCNC(=O)NCCCN1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105925 /nfs/dbraw/zinc/10/59/25/305105925.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413857 305108502 /nfs/dbraw/zinc/10/85/02/305108502.db2.gz VHAYUXADLPCSEO-OAGGEKHMSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413857 305108503 /nfs/dbraw/zinc/10/85/03/305108503.db2.gz VHAYUXADLPCSEO-OAGGEKHMSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CN1C1CC1 ZINC000441304210 305220387 /nfs/dbraw/zinc/22/03/87/305220387.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CN1C1CC1 ZINC000441304210 305220388 /nfs/dbraw/zinc/22/03/88/305220388.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 1 3 334.508 1.985 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250024 305294411 /nfs/dbraw/zinc/29/44/11/305294411.db2.gz RGMHTVXWUBJJDQ-JKSUJKDBSA-N 1 3 342.553 1.797 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000515619433 305725399 /nfs/dbraw/zinc/72/53/99/305725399.db2.gz IZRYTHPDFIDZHE-PBHICJAKSA-N 1 3 330.476 1.512 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000517223255 305749816 /nfs/dbraw/zinc/74/98/16/305749816.db2.gz UKMAYXSXJFGJNM-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3(N)CCC3)cc2)CC1 ZINC000519822280 305775754 /nfs/dbraw/zinc/77/57/54/305775754.db2.gz MLRIWEMHWVQCCP-UHFFFAOYSA-N 1 3 344.459 1.246 20 0 EDADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2C1 ZINC000538709311 306032796 /nfs/dbraw/zinc/03/27/96/306032796.db2.gz DRNCRJWJIYWNPY-PKOBYXMFSA-N 1 3 331.460 1.526 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540926751 306041806 /nfs/dbraw/zinc/04/18/06/306041806.db2.gz YVUXOMMUDVCCFM-KRWDZBQOSA-N 1 3 347.507 1.298 20 0 EDADHO CN(CCC(=O)N1CCN(CC2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000541857419 306048338 /nfs/dbraw/zinc/04/83/38/306048338.db2.gz QYOHEXGLSQLXJC-UHFFFAOYSA-N 1 3 346.475 1.479 20 0 EDADHO Cc1cc(=O)c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)cn1C ZINC000555560560 306202624 /nfs/dbraw/zinc/20/26/24/306202624.db2.gz CPTQCJYKJMQFIK-UHFFFAOYSA-N 1 3 336.480 1.039 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000557223538 306226803 /nfs/dbraw/zinc/22/68/03/306226803.db2.gz WBCPFHBJMHEDTE-GOSISDBHSA-N 1 3 347.463 1.312 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000414949391 447371328 /nfs/dbraw/zinc/37/13/28/447371328.db2.gz ZHRGXNPLZQODQX-RHSMWYFYSA-N 1 3 346.475 1.580 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956745 447374697 /nfs/dbraw/zinc/37/46/97/447374697.db2.gz VPEAZDXOENCVKC-WWGRRREGSA-N 1 3 333.432 1.920 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC000414956745 447374703 /nfs/dbraw/zinc/37/47/03/447374703.db2.gz VPEAZDXOENCVKC-WWGRRREGSA-N 1 3 333.432 1.920 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707191 447387696 /nfs/dbraw/zinc/38/76/96/447387696.db2.gz CXOCQYWAIBNJNK-AEFFLSMTSA-N 1 3 349.450 1.532 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000105173720 441240064 /nfs/dbraw/zinc/24/00/64/441240064.db2.gz BUVFWOIUFRGVTB-WMZOPIPTSA-N 1 3 342.528 1.717 20 0 EDADHO COc1ccc2[nH]cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c2c1 ZINC000104533432 441196963 /nfs/dbraw/zinc/19/69/63/441196963.db2.gz MSLSNTVLWDHCGS-UHFFFAOYSA-N 1 3 346.475 1.671 20 0 EDADHO CN1CCCN(CCC[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000105476508 441256154 /nfs/dbraw/zinc/25/61/54/441256154.db2.gz AHLHTRHMKGKMEI-UHFFFAOYSA-N 1 3 327.476 1.990 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000073881135 441365688 /nfs/dbraw/zinc/36/56/88/441365688.db2.gz OTCLLBJFWDSTGC-DLBZAZTESA-N 1 3 341.544 1.290 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccco3)CC2)CC1 ZINC000051239256 441405033 /nfs/dbraw/zinc/40/50/33/441405033.db2.gz LKNRMKCGHFZHHR-UHFFFAOYSA-N 1 3 334.464 1.680 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCCO)CC(C)(C)C)CC1 ZINC000114456815 441658438 /nfs/dbraw/zinc/65/84/38/441658438.db2.gz USBMCDZZFIHZTC-UHFFFAOYSA-N 1 3 327.513 1.706 20 0 EDADHO OCC1(C[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000159236247 441796968 /nfs/dbraw/zinc/79/69/68/441796968.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 1 3 330.472 1.982 20 0 EDADHO OCC1(C[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000159236247 441796972 /nfs/dbraw/zinc/79/69/72/441796972.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 1 3 330.472 1.982 20 0 EDADHO C[NH+](C)CCCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116714051 441837071 /nfs/dbraw/zinc/83/70/71/441837071.db2.gz ZMJKUZCNRMRDIY-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CN1CCC(O)(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000077832609 441874222 /nfs/dbraw/zinc/87/42/22/441874222.db2.gz YTNLNSCDGJEBSC-AWEZNQCLSA-N 1 3 328.501 1.109 20 0 EDADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)s1 ZINC000117982769 441883171 /nfs/dbraw/zinc/88/31/71/441883171.db2.gz WYAMMWHTIDOYLS-UHFFFAOYSA-N 1 3 340.493 1.111 20 0 EDADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)s1 ZINC000117982769 441883176 /nfs/dbraw/zinc/88/31/76/441883176.db2.gz WYAMMWHTIDOYLS-UHFFFAOYSA-N 1 3 340.493 1.111 20 0 EDADHO CN(CCCN1CCN(C)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000174720345 441959068 /nfs/dbraw/zinc/95/90/68/441959068.db2.gz UTCZYPNHSWIINV-GOSISDBHSA-N 1 3 348.466 1.500 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000174720345 441959071 /nfs/dbraw/zinc/95/90/71/441959071.db2.gz UTCZYPNHSWIINV-GOSISDBHSA-N 1 3 348.466 1.500 20 0 EDADHO CCOC(=O)CNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161971350 442049862 /nfs/dbraw/zinc/04/98/62/442049862.db2.gz OQDAZZUNTLWXRQ-UHFFFAOYSA-N 1 3 339.480 1.254 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000175710145 442109655 /nfs/dbraw/zinc/10/96/55/442109655.db2.gz KEWJZEDYXISXFV-GOSISDBHSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000175710145 442109657 /nfs/dbraw/zinc/10/96/57/442109657.db2.gz KEWJZEDYXISXFV-GOSISDBHSA-N 1 3 330.476 1.653 20 0 EDADHO CN(C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175728566 442112322 /nfs/dbraw/zinc/11/23/22/442112322.db2.gz HGXSOQLSSTZHIB-SJORKVTESA-N 1 3 339.528 1.184 20 0 EDADHO CN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000121333924 442204459 /nfs/dbraw/zinc/20/44/59/442204459.db2.gz QFULSKRUHGVPCJ-SJORKVTESA-N 1 3 338.496 1.148 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000128273276 442256773 /nfs/dbraw/zinc/25/67/73/442256773.db2.gz YIZQNNHINKFMJY-UHFFFAOYSA-N 1 3 345.535 1.663 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000153909388 442310450 /nfs/dbraw/zinc/31/04/50/442310450.db2.gz MJQXPWIRZFQJES-LJQANCHMSA-N 1 3 344.503 1.929 20 0 EDADHO CCCc1nnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000131234358 442367677 /nfs/dbraw/zinc/36/76/77/442367677.db2.gz HDAJGHVLFAUXQP-UHFFFAOYSA-N 1 3 328.486 1.448 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000171899113 442388190 /nfs/dbraw/zinc/38/81/90/442388190.db2.gz XSEFELGQGFHXDI-INIZCTEOSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@H](CC(=O)N1CCN(CC2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000178794660 442487706 /nfs/dbraw/zinc/48/77/06/442487706.db2.gz ZJXIHPSURLQMBV-MRXNPFEDSA-N 1 3 337.508 1.583 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000186102315 442463333 /nfs/dbraw/zinc/46/33/33/442463333.db2.gz XLCVRVKQOKTSMQ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000192528720 442658772 /nfs/dbraw/zinc/65/87/72/442658772.db2.gz FLVUJUYDMQZWGH-HDICACEKSA-N 1 3 342.487 1.219 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000192528720 442658774 /nfs/dbraw/zinc/65/87/74/442658774.db2.gz FLVUJUYDMQZWGH-HDICACEKSA-N 1 3 342.487 1.219 20 0 EDADHO CCN(CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187200677 442660300 /nfs/dbraw/zinc/66/03/00/442660300.db2.gz BHBAYKPSNCYTQY-HOTGVXAUSA-N 1 3 342.528 1.356 20 0 EDADHO CC(C)N(C)CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188140710 442716077 /nfs/dbraw/zinc/71/60/77/442716077.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 1 3 333.476 1.422 20 0 EDADHO CC(C)N(C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188140710 442716079 /nfs/dbraw/zinc/71/60/79/442716079.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 1 3 333.476 1.422 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(CCC(=O)c2ccccc2)CC1 ZINC000182624949 442797387 /nfs/dbraw/zinc/79/73/87/442797387.db2.gz GSRLUKYQEXGBGO-UHFFFAOYSA-N 1 3 331.460 1.649 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000246989098 442825741 /nfs/dbraw/zinc/82/57/41/442825741.db2.gz KCSFYVJJDZXAEG-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000246989098 442825743 /nfs/dbraw/zinc/82/57/43/442825743.db2.gz KCSFYVJJDZXAEG-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183220449 442905856 /nfs/dbraw/zinc/90/58/56/442905856.db2.gz LIKCWGCXFZUKAF-MRXNPFEDSA-N 1 3 334.464 1.578 20 0 EDADHO CN(C)CC[N@H+](C)CCCNCc1cnc([C@H]2CCCO2)s1 ZINC000623087730 450398344 /nfs/dbraw/zinc/39/83/44/450398344.db2.gz FVZMIYLFPVKVJH-OAHLLOKOSA-N 1 3 326.510 1.968 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNCc1cnc([C@H]2CCCO2)s1 ZINC000623087730 450398346 /nfs/dbraw/zinc/39/83/46/450398346.db2.gz FVZMIYLFPVKVJH-OAHLLOKOSA-N 1 3 326.510 1.968 20 0 EDADHO CC(C)[C@H](CNC(=O)CNC[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236720773 443145415 /nfs/dbraw/zinc/14/54/15/443145415.db2.gz JCBKWYXUWVTMBG-IRXDYDNUSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCN1C ZINC000268807275 443114455 /nfs/dbraw/zinc/11/44/55/443114455.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 1 3 331.508 1.666 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865585 443129964 /nfs/dbraw/zinc/12/99/64/443129964.db2.gz TWVOVGXMFNWICV-YOEHRIQHSA-N 1 3 333.432 1.751 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268985016 443166100 /nfs/dbraw/zinc/16/61/00/443166100.db2.gz LGFMDKWPUFQCIY-CYBMUJFWSA-N 1 3 341.477 1.165 20 0 EDADHO NC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758331 443168464 /nfs/dbraw/zinc/16/84/64/443168464.db2.gz FQWSZKXVVZGKFF-QGZVFWFLSA-N 1 3 331.460 1.175 20 0 EDADHO NC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758331 443168468 /nfs/dbraw/zinc/16/84/68/443168468.db2.gz FQWSZKXVVZGKFF-QGZVFWFLSA-N 1 3 331.460 1.175 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000262016580 443180753 /nfs/dbraw/zinc/18/07/53/443180753.db2.gz MUUKYWWCHRVCEB-MRXNPFEDSA-N 1 3 342.443 1.760 20 0 EDADHO C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000262131252 443184136 /nfs/dbraw/zinc/18/41/36/443184136.db2.gz GNSXXIMJSPQKGY-MRXNPFEDSA-N 1 3 333.480 1.198 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266812776 443252655 /nfs/dbraw/zinc/25/26/55/443252655.db2.gz HWDOVTDGZJMSQZ-UHFFFAOYSA-N 1 3 333.476 1.628 20 0 EDADHO CO[C@@](C)([C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953663 319216399 /nfs/dbraw/zinc/21/63/99/319216399.db2.gz RZSXIHKERYMOAP-KSSFIOAISA-N 1 3 325.497 1.769 20 0 EDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414670663 319338682 /nfs/dbraw/zinc/33/86/82/319338682.db2.gz DNTKHCJDISMUGE-RTBURBONSA-N 1 3 344.503 1.390 20 0 EDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414670663 319338684 /nfs/dbraw/zinc/33/86/84/319338684.db2.gz DNTKHCJDISMUGE-RTBURBONSA-N 1 3 344.503 1.390 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC000414675273 319339693 /nfs/dbraw/zinc/33/96/93/319339693.db2.gz FNXYAKWHOJNMCI-OAHLLOKOSA-N 1 3 331.460 1.769 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000414685508 319342119 /nfs/dbraw/zinc/34/21/19/319342119.db2.gz ZLPQLBIJJRDPAP-MRXNPFEDSA-N 1 3 334.464 1.437 20 0 EDADHO CCOC(=O)C1CCN(C(=O)CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414688016 319342959 /nfs/dbraw/zinc/34/29/59/319342959.db2.gz CPNSPKJYJWCXLG-GJZGRUSLSA-N 1 3 339.480 1.108 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415237821 319355748 /nfs/dbraw/zinc/35/57/48/319355748.db2.gz JYJLJBAVTGMYIA-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415237821 319355750 /nfs/dbraw/zinc/35/57/50/319355750.db2.gz JYJLJBAVTGMYIA-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc2c(c1)CNCCO2 ZINC000415969452 319386274 /nfs/dbraw/zinc/38/62/74/319386274.db2.gz GXQACIOUAPFNTA-INIZCTEOSA-N 1 3 348.447 1.137 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc2c(c1)CNCCO2 ZINC000415969452 319386275 /nfs/dbraw/zinc/38/62/75/319386275.db2.gz GXQACIOUAPFNTA-INIZCTEOSA-N 1 3 348.447 1.137 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000416828469 319464752 /nfs/dbraw/zinc/46/47/52/319464752.db2.gz SGJQRRGWVRARFK-VBQJREDUSA-N 1 3 334.464 1.867 20 0 EDADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496857 443340844 /nfs/dbraw/zinc/34/08/44/443340844.db2.gz DFAWJIZXNNVTGT-NVXWUHKLSA-N 1 3 341.459 1.782 20 0 EDADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496857 443340850 /nfs/dbraw/zinc/34/08/50/443340850.db2.gz DFAWJIZXNNVTGT-NVXWUHKLSA-N 1 3 341.459 1.782 20 0 EDADHO NC[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000418996792 319539268 /nfs/dbraw/zinc/53/92/68/319539268.db2.gz KOJMIOQPYLGGGV-INIZCTEOSA-N 1 3 338.496 1.002 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559156 443348258 /nfs/dbraw/zinc/34/82/58/443348258.db2.gz QFBYFXPRIUUABV-MOPGFXCFSA-N 1 3 347.503 1.642 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267290572 443407453 /nfs/dbraw/zinc/40/74/53/443407453.db2.gz XQOZQCIGWMWXMY-SXLOBPIMSA-N 1 3 347.503 1.495 20 0 EDADHO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794132 443448351 /nfs/dbraw/zinc/44/83/51/443448351.db2.gz CNVDEWAPTXJAAF-UKRRQHHQSA-N 1 3 325.478 1.859 20 0 EDADHO C[C@H](CNCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCCC1 ZINC000278840342 443457489 /nfs/dbraw/zinc/45/74/89/443457489.db2.gz JUBZAGZTCQPHEW-OAHLLOKOSA-N 1 3 329.444 1.994 20 0 EDADHO C[C@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000278840342 443457492 /nfs/dbraw/zinc/45/74/92/443457492.db2.gz JUBZAGZTCQPHEW-OAHLLOKOSA-N 1 3 329.444 1.994 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039976 319749013 /nfs/dbraw/zinc/74/90/13/319749013.db2.gz GKOJGFCWOGGZFR-NHYWBVRUSA-N 1 3 343.830 1.928 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NCC1=CC[NH2+]CC1 ZINC000423359295 319766288 /nfs/dbraw/zinc/76/62/88/319766288.db2.gz UVWWDPGROREKQZ-NSHDSACASA-N 1 3 326.238 1.509 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000441221241 320093118 /nfs/dbraw/zinc/09/31/18/320093118.db2.gz CRIFRSHBTLVZKO-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NCCOCC[NH+](C)C)N(C)C)cc1 ZINC000471641819 320353076 /nfs/dbraw/zinc/35/30/76/320353076.db2.gz HBCWNPGYICILRC-KRWDZBQOSA-N 1 3 336.480 1.475 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ncccc3F)CC2)CC1 ZINC000471967338 320353140 /nfs/dbraw/zinc/35/31/40/320353140.db2.gz RMESREVPRJBIEC-UHFFFAOYSA-N 1 3 334.439 1.438 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812256 443748802 /nfs/dbraw/zinc/74/88/02/443748802.db2.gz MDMIGDXARVNIKH-QUCCMNQESA-N 1 3 327.472 1.941 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000288111933 443774765 /nfs/dbraw/zinc/77/47/65/443774765.db2.gz VPBFKADTSFWHDG-RYQLBKOJSA-N 1 3 348.491 1.119 20 0 EDADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241484 320617121 /nfs/dbraw/zinc/61/71/21/320617121.db2.gz QHNQBGLJRWBDFB-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)N(C)C1 ZINC000285069299 443843490 /nfs/dbraw/zinc/84/34/90/443843490.db2.gz KJHONFFMGVAJSV-HOTGVXAUSA-N 1 3 349.475 1.418 20 0 EDADHO Cc1cc(C)n2c(CNCC3(O)CC[NH+](C(C)C)CC3)cnc2n1 ZINC000537310251 320734207 /nfs/dbraw/zinc/73/42/07/320734207.db2.gz CSQKNPBKLQGQNU-UHFFFAOYSA-N 1 3 331.464 1.671 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000561217466 321036624 /nfs/dbraw/zinc/03/66/24/321036624.db2.gz ZBBVGGHGYCFHRH-KRWDZBQOSA-N 1 3 346.475 1.410 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563093296 321094711 /nfs/dbraw/zinc/09/47/11/321094711.db2.gz ZUYQUBSSUITHFU-WMLDXEAASA-N 1 3 333.480 1.610 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000564705833 321143355 /nfs/dbraw/zinc/14/33/55/321143355.db2.gz GDXBGFTYKRBIGI-UHFFFAOYSA-N 1 3 329.847 1.973 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361180 321183460 /nfs/dbraw/zinc/18/34/60/321183460.db2.gz IEMDSFBNSIMPKT-KHYOSLBOSA-N 1 3 335.492 1.511 20 0 EDADHO Cc1ccccc1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000565476786 321187820 /nfs/dbraw/zinc/18/78/20/321187820.db2.gz PJJQLMZGTQDZRL-MSOLQXFVSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccccc1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000565476786 321187821 /nfs/dbraw/zinc/18/78/21/321187821.db2.gz PJJQLMZGTQDZRL-MSOLQXFVSA-N 1 3 336.476 1.825 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000566211955 321222738 /nfs/dbraw/zinc/22/27/38/321222738.db2.gz AAASIBIYDPZNLS-UCMJJCQDSA-N 1 3 329.444 1.180 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000568474919 321292716 /nfs/dbraw/zinc/29/27/16/321292716.db2.gz LSVBEIRVPBNUNU-RCCFBDPRSA-N 1 3 337.508 1.602 20 0 EDADHO CN(C)CCN(C)CCC[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000289420156 444138425 /nfs/dbraw/zinc/13/84/25/444138425.db2.gz MPSIEYWYWIYTTE-IBGZPJMESA-N 1 3 337.508 1.379 20 0 EDADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000289420156 444138431 /nfs/dbraw/zinc/13/84/31/444138431.db2.gz MPSIEYWYWIYTTE-IBGZPJMESA-N 1 3 337.508 1.379 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C[C@H](O)c1c(F)cccc1F ZINC000289452789 444148070 /nfs/dbraw/zinc/14/80/70/444148070.db2.gz PGBSQXUKIPVXSW-INIZCTEOSA-N 1 3 329.435 1.814 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@H](O)c1c(F)cccc1F ZINC000289452789 444148073 /nfs/dbraw/zinc/14/80/73/444148073.db2.gz PGBSQXUKIPVXSW-INIZCTEOSA-N 1 3 329.435 1.814 20 0 EDADHO CN(CCCN(C)C[C@H](O)c1c(F)cccc1F)CC[NH+](C)C ZINC000289452789 444148077 /nfs/dbraw/zinc/14/80/77/444148077.db2.gz PGBSQXUKIPVXSW-INIZCTEOSA-N 1 3 329.435 1.814 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)NC3CC3)cc2)CC1 ZINC000296410188 444228104 /nfs/dbraw/zinc/22/81/04/444228104.db2.gz MACHIOAAYCPMSI-HNNXBMFYSA-N 1 3 330.476 1.903 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000296410188 444228107 /nfs/dbraw/zinc/22/81/07/444228107.db2.gz MACHIOAAYCPMSI-HNNXBMFYSA-N 1 3 330.476 1.903 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319560 444236637 /nfs/dbraw/zinc/23/66/37/444236637.db2.gz USRWMJFKGHQYAH-HZPDHXFCSA-N 1 3 325.497 1.412 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000296582469 444240023 /nfs/dbraw/zinc/24/00/23/444240023.db2.gz WYDYYVNHDGRRKD-HKUYNNGSSA-N 1 3 346.519 1.870 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1)CC(C)C ZINC000340000269 444351586 /nfs/dbraw/zinc/35/15/86/444351586.db2.gz ICOSGKFHNUEDOO-HZPDHXFCSA-N 1 3 340.512 1.022 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000581359167 322167682 /nfs/dbraw/zinc/16/76/82/322167682.db2.gz VQXYSSMMXCXXFA-OAHLLOKOSA-N 1 3 340.537 1.647 20 0 EDADHO C[C@H]1C[C@H](C(=O)N(CCCN(C)C)CCC[NH+](C)C)CCC1=O ZINC000343722027 444545465 /nfs/dbraw/zinc/54/54/65/444545465.db2.gz LHIBYCLFMHVWCH-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283145 444611025 /nfs/dbraw/zinc/61/10/25/444611025.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 1 3 341.521 1.217 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283145 444611026 /nfs/dbraw/zinc/61/10/26/444611026.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 1 3 341.521 1.217 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCN1C ZINC000332971625 444616537 /nfs/dbraw/zinc/61/65/37/444616537.db2.gz BPBFIJCTCPFJOC-SIXLDLHFSA-N 1 3 338.496 1.146 20 0 EDADHO CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341171523 444709487 /nfs/dbraw/zinc/70/94/87/444709487.db2.gz XCXVJEYQQZEHFW-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000341171523 444709489 /nfs/dbraw/zinc/70/94/89/444709489.db2.gz XCXVJEYQQZEHFW-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](C)CC[NH+](C)C)CC1 ZINC000341184441 444715719 /nfs/dbraw/zinc/71/57/19/444715719.db2.gz JECNYWBRNPLUDK-CABCVRRESA-N 1 3 341.496 1.497 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CC1CCS(=O)(=O)CC1 ZINC000344116896 444790273 /nfs/dbraw/zinc/79/02/73/444790273.db2.gz AYZKCHZHXFRSEQ-UHFFFAOYSA-N 1 3 345.553 1.161 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CC1CCS(=O)(=O)CC1 ZINC000344116896 444790275 /nfs/dbraw/zinc/79/02/75/444790275.db2.gz AYZKCHZHXFRSEQ-UHFFFAOYSA-N 1 3 345.553 1.161 20 0 EDADHO CN1CCN(C)[C@@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000336877835 444823006 /nfs/dbraw/zinc/82/30/06/444823006.db2.gz XMJSXCUHONEEMZ-FQEVSTJZSA-N 1 3 330.520 1.529 20 0 EDADHO CN1CCN(C)[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336877835 444823009 /nfs/dbraw/zinc/82/30/09/444823009.db2.gz XMJSXCUHONEEMZ-FQEVSTJZSA-N 1 3 330.520 1.529 20 0 EDADHO COCCCN(C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713686 444829971 /nfs/dbraw/zinc/82/99/71/444829971.db2.gz TUWHQQSICFPHGY-UHFFFAOYSA-N 1 3 347.503 1.927 20 0 EDADHO CCN1C[C@@H](C)[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000344204914 444838132 /nfs/dbraw/zinc/83/81/32/444838132.db2.gz BHLAQWRVHRKRBE-QZTJIDSGSA-N 1 3 346.523 1.309 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000344306513 444892011 /nfs/dbraw/zinc/89/20/11/444892011.db2.gz QBZYMCHGXTZNSU-UHFFFAOYSA-N 1 3 330.476 1.648 20 0 EDADHO CC(=O)N[C@@H](C)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337329612 445035120 /nfs/dbraw/zinc/03/51/20/445035120.db2.gz ZYIHPADHCFPHSZ-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000343157541 445103475 /nfs/dbraw/zinc/10/34/75/445103475.db2.gz FSLBHFKZWYXFKK-KRWDZBQOSA-N 1 3 333.480 1.869 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000343157541 445103479 /nfs/dbraw/zinc/10/34/79/445103479.db2.gz FSLBHFKZWYXFKK-KRWDZBQOSA-N 1 3 333.480 1.869 20 0 EDADHO C[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348099170 445267708 /nfs/dbraw/zinc/26/77/08/445267708.db2.gz WFOPQRAZIZQBPG-FUHWJXTLSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@H](NCCNc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099170 445267711 /nfs/dbraw/zinc/26/77/11/445267711.db2.gz WFOPQRAZIZQBPG-FUHWJXTLSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@H](NCCNc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099170 445267714 /nfs/dbraw/zinc/26/77/14/445267714.db2.gz WFOPQRAZIZQBPG-FUHWJXTLSA-N 1 3 325.460 2.389 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000351639559 445252783 /nfs/dbraw/zinc/25/27/83/445252783.db2.gz ZWQACHDYNKIGLI-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000351879042 445351666 /nfs/dbraw/zinc/35/16/66/445351666.db2.gz IPQJKVKSCGQZQN-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO [NH3+]CCOCCN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000357092989 445423398 /nfs/dbraw/zinc/42/33/98/445423398.db2.gz VKNYWUSXDSNIOO-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOC3CNC3)cc2)C1 ZINC000349004356 445472960 /nfs/dbraw/zinc/47/29/60/445472960.db2.gz RPGIAWHOKRMMPF-OAHLLOKOSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCOC3CNC3)cc2)C1 ZINC000349004356 445472962 /nfs/dbraw/zinc/47/29/62/445472962.db2.gz RPGIAWHOKRMMPF-OAHLLOKOSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000349006146 445473043 /nfs/dbraw/zinc/47/30/43/445473043.db2.gz SYAVJKCOXNQQKG-HNNXBMFYSA-N 1 3 331.460 1.707 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1[NH+](C)C ZINC000362656584 445481187 /nfs/dbraw/zinc/48/11/87/445481187.db2.gz SAGVIQKYGWPUJO-BPQIPLTHSA-N 1 3 332.492 1.751 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCSC1 ZINC000357131509 445444914 /nfs/dbraw/zinc/44/49/14/445444914.db2.gz QSNJGARHXNGIHC-MRXNPFEDSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000362569792 445445015 /nfs/dbraw/zinc/44/50/15/445445015.db2.gz OWQWRPGLZXESEC-HUUCEWRRSA-N 1 3 325.522 1.662 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000362569792 445445018 /nfs/dbraw/zinc/44/50/18/445445018.db2.gz OWQWRPGLZXESEC-HUUCEWRRSA-N 1 3 325.522 1.662 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000360014215 445529554 /nfs/dbraw/zinc/52/95/54/445529554.db2.gz CBHVVMJFWQLHPQ-QGZVFWFLSA-N 1 3 347.503 1.982 20 0 EDADHO NC(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000353460127 445611798 /nfs/dbraw/zinc/61/17/98/445611798.db2.gz NUWYYPDPGDUOFJ-AWEZNQCLSA-N 1 3 345.365 1.667 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(CC(F)F)c1 ZINC000353499835 445630342 /nfs/dbraw/zinc/63/03/42/445630342.db2.gz DMPWGIZOZFJMBE-MRXNPFEDSA-N 1 3 343.466 1.996 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(CC(F)F)c1 ZINC000353499835 445630347 /nfs/dbraw/zinc/63/03/47/445630347.db2.gz DMPWGIZOZFJMBE-MRXNPFEDSA-N 1 3 343.466 1.996 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000356125195 445635454 /nfs/dbraw/zinc/63/54/54/445635454.db2.gz OWOCXUUESCFQJG-SFHVURJKSA-N 1 3 339.443 1.489 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000353635928 445685120 /nfs/dbraw/zinc/68/51/20/445685120.db2.gz NXNBJHACDYPRDL-QZTJIDSGSA-N 1 3 337.508 1.820 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@H+](CC)CC3)cc2)CC1 ZINC000363178772 445708687 /nfs/dbraw/zinc/70/86/87/445708687.db2.gz WRVQCWYNMRQQRA-UHFFFAOYSA-N 1 3 344.503 1.996 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[N@@H+](CC)CC3)cc2)CC1 ZINC000363178772 445708691 /nfs/dbraw/zinc/70/86/91/445708691.db2.gz WRVQCWYNMRQQRA-UHFFFAOYSA-N 1 3 344.503 1.996 20 0 EDADHO C[C@@H](NC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C(C)(C)C[NH+](C)C ZINC000358845232 445806752 /nfs/dbraw/zinc/80/67/52/445806752.db2.gz FWGIJSPFRWRKSK-CQSZACIVSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000364548003 445931185 /nfs/dbraw/zinc/93/11/85/445931185.db2.gz SRBLGAGGULNKLN-YLFCFFPRSA-N 1 3 325.497 1.578 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000364548003 445931193 /nfs/dbraw/zinc/93/11/93/445931193.db2.gz SRBLGAGGULNKLN-YLFCFFPRSA-N 1 3 325.497 1.578 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@]2(CCOC)CC[NH2+]C2)N(C)C)cc1 ZINC000361723172 445899346 /nfs/dbraw/zinc/89/93/46/445899346.db2.gz LTQLDMNNAASYQA-QUCCMNQESA-N 1 3 347.503 1.984 20 0 EDADHO COCCc1nc(C)c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)s1 ZINC000356698812 445947624 /nfs/dbraw/zinc/94/76/24/445947624.db2.gz OYAGKAPKJPJEBT-LBPRGKRZSA-N 1 3 327.494 1.748 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C[C@@H]1C ZINC000361792593 445950376 /nfs/dbraw/zinc/95/03/76/445950376.db2.gz OBWBWBURDVRITJ-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C[C@@H]1C ZINC000361792593 445950382 /nfs/dbraw/zinc/95/03/82/445950382.db2.gz OBWBWBURDVRITJ-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000365148059 446053660 /nfs/dbraw/zinc/05/36/60/446053660.db2.gz ZONLBECCGLKVNE-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359227237 446058038 /nfs/dbraw/zinc/05/80/38/446058038.db2.gz VYIIDLWDVNYWNL-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO CC1(C)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000584154041 326208444 /nfs/dbraw/zinc/20/84/44/326208444.db2.gz APMOLAJAICEMAB-NXHRZFHOSA-N 1 3 335.492 1.523 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087735 /nfs/dbraw/zinc/08/77/35/446087735.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087740 /nfs/dbraw/zinc/08/77/40/446087740.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087638 /nfs/dbraw/zinc/08/76/38/446087638.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087646 /nfs/dbraw/zinc/08/76/46/446087646.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369663081 446142882 /nfs/dbraw/zinc/14/28/82/446142882.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663081 446142886 /nfs/dbraw/zinc/14/28/86/446142886.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@H]4CCCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000370503527 446309253 /nfs/dbraw/zinc/30/92/53/446309253.db2.gz UQZHJMIDOGZWJD-YESZJQIVSA-N 1 3 347.507 1.870 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@H]4CCCC[N@H+]4C)C[C@H]3C2)no1 ZINC000370503527 446309257 /nfs/dbraw/zinc/30/92/57/446309257.db2.gz UQZHJMIDOGZWJD-YESZJQIVSA-N 1 3 347.507 1.870 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)[C@@H]1Oc1ccccc1 ZINC000359618663 446322475 /nfs/dbraw/zinc/32/24/75/446322475.db2.gz HODVSVGGZFJZOY-KSZLIROESA-N 1 3 334.460 1.658 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417331072 446344929 /nfs/dbraw/zinc/34/49/29/446344929.db2.gz LRDYBCODKOEPFB-HNNXBMFYSA-N 1 3 348.491 1.814 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516838 446360368 /nfs/dbraw/zinc/36/03/68/446360368.db2.gz OVOSNLJKCULPKO-IRXDYDNUSA-N 1 3 334.464 1.357 20 0 EDADHO C[NH2+]CCNC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417682402 446370499 /nfs/dbraw/zinc/37/04/99/446370499.db2.gz LFBUPRSINDFJLM-QGZVFWFLSA-N 1 3 332.492 1.978 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417744988 446371903 /nfs/dbraw/zinc/37/19/03/446371903.db2.gz DUBOKHOYYVMHQG-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000417833503 446375259 /nfs/dbraw/zinc/37/52/59/446375259.db2.gz RXCXIOUKBOITNI-INIZCTEOSA-N 1 3 328.526 1.455 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417935266 446390661 /nfs/dbraw/zinc/39/06/61/446390661.db2.gz GOLPQBSTMNZKBP-BDXSIMOUSA-N 1 3 328.460 1.683 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770628 446428396 /nfs/dbraw/zinc/42/83/96/446428396.db2.gz DRIRCCFCGUJNJE-SLPUSZQCSA-N 1 3 349.519 1.913 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418072562 446431182 /nfs/dbraw/zinc/43/11/82/446431182.db2.gz KRXMSHJTUUMVNV-WMZOPIPTSA-N 1 3 348.491 1.432 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423125873 446432914 /nfs/dbraw/zinc/43/29/14/446432914.db2.gz IGXZYXMJDCVZGA-UHFFFAOYSA-N 1 3 340.512 1.010 20 0 EDADHO Cc1c(C(=O)N[C@H]2CCN(C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762863 446422290 /nfs/dbraw/zinc/42/22/90/446422290.db2.gz CEMZIRXZWYOSDN-AWEZNQCLSA-N 1 3 346.479 1.258 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000418189592 446454489 /nfs/dbraw/zinc/45/44/89/446454489.db2.gz HXMGJUREEZCUHY-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)NC[C@H]2CC[NH2+]C2)CCC1 ZINC000418238529 446469747 /nfs/dbraw/zinc/46/97/47/446469747.db2.gz FZCPNFRXFCZPHP-KRWDZBQOSA-N 1 3 330.476 1.950 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1cccc(OC)c1 ZINC000423309939 446482904 /nfs/dbraw/zinc/48/29/04/446482904.db2.gz MRIKSTHFNMUDGE-SUMDDJOVSA-N 1 3 331.460 1.946 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317191 446483509 /nfs/dbraw/zinc/48/35/09/446483509.db2.gz MPGFPCCJEQPVHL-ZWKOTPCHSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317191 446483516 /nfs/dbraw/zinc/48/35/16/446483516.db2.gz MPGFPCCJEQPVHL-ZWKOTPCHSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317191 446483523 /nfs/dbraw/zinc/48/35/23/446483523.db2.gz MPGFPCCJEQPVHL-ZWKOTPCHSA-N 1 3 333.476 1.534 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CCCCCC1 ZINC000432547327 446484507 /nfs/dbraw/zinc/48/45/07/446484507.db2.gz SXEKYHYHUBOVCJ-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCCCCC1 ZINC000432547327 446484509 /nfs/dbraw/zinc/48/45/09/446484509.db2.gz SXEKYHYHUBOVCJ-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCCO1 ZINC000376428620 446492143 /nfs/dbraw/zinc/49/21/43/446492143.db2.gz PKIHCSMDJHAABQ-IAGOWNOFSA-N 1 3 336.480 1.143 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](N3CC=CC3)C2)CCCO1 ZINC000376428620 446492147 /nfs/dbraw/zinc/49/21/47/446492147.db2.gz PKIHCSMDJHAABQ-IAGOWNOFSA-N 1 3 336.480 1.143 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372383 446504775 /nfs/dbraw/zinc/50/47/75/446504775.db2.gz GDUCIJJPVGASAN-KBPBESRZSA-N 1 3 331.464 1.623 20 0 EDADHO C[NH2+]CCN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000420338360 446508357 /nfs/dbraw/zinc/50/83/57/446508357.db2.gz OESCAYJIULLLON-MRXNPFEDSA-N 1 3 332.492 1.307 20 0 EDADHO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343750 446515895 /nfs/dbraw/zinc/51/58/95/446515895.db2.gz RNGKVTDKOSIXKD-FJIDUMEYSA-N 1 3 337.508 1.629 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000418376060 446519924 /nfs/dbraw/zinc/51/99/24/446519924.db2.gz XZNGEVUDSZUIGJ-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423421891 446528722 /nfs/dbraw/zinc/52/87/22/446528722.db2.gz BFFBSKZNOSMYPO-GOSISDBHSA-N 1 3 346.519 1.855 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375046420 446541050 /nfs/dbraw/zinc/54/10/50/446541050.db2.gz JZPMBIDNCRPXQW-OKZBNKHCSA-N 1 3 347.507 1.398 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375046420 446541054 /nfs/dbraw/zinc/54/10/54/446541054.db2.gz JZPMBIDNCRPXQW-OKZBNKHCSA-N 1 3 347.507 1.398 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370582 446548563 /nfs/dbraw/zinc/54/85/63/446548563.db2.gz JPZKRHYOJMLUPI-NUJGCVRESA-N 1 3 331.460 1.728 20 0 EDADHO CC(C)N(C(=O)CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000420380906 446556798 /nfs/dbraw/zinc/55/67/98/446556798.db2.gz OPGRPVLVVVXYFX-FUHWJXTLSA-N 1 3 325.497 1.850 20 0 EDADHO O=C1N[C@@H]2CN(CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397245 446571582 /nfs/dbraw/zinc/57/15/82/446571582.db2.gz FKGOKZYQGUOWLA-IAGOWNOFSA-N 1 3 348.516 1.901 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418506553 446572157 /nfs/dbraw/zinc/57/21/57/446572157.db2.gz IRFSVDCDUNGMOG-UHFFFAOYSA-N 1 3 334.464 1.140 20 0 EDADHO CC(C)N1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576667 /nfs/dbraw/zinc/57/66/67/446576667.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)N1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576674 /nfs/dbraw/zinc/57/66/74/446576674.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418529367 446581326 /nfs/dbraw/zinc/58/13/26/446581326.db2.gz TXLSHLNHTNROOI-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418532430 446583601 /nfs/dbraw/zinc/58/36/01/446583601.db2.gz SVDVJZFUBXBUPF-RBSFLKMASA-N 1 3 326.485 1.255 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536773 446584941 /nfs/dbraw/zinc/58/49/41/446584941.db2.gz CFXJXPOJBKQPHA-OAGGEKHMSA-N 1 3 340.512 1.645 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000418549007 446589912 /nfs/dbraw/zinc/58/99/12/446589912.db2.gz DGBULQKMFMQHHH-AEFFLSMTSA-N 1 3 328.460 1.916 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000418549007 446589917 /nfs/dbraw/zinc/58/99/17/446589917.db2.gz DGBULQKMFMQHHH-AEFFLSMTSA-N 1 3 328.460 1.916 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418555387 446591979 /nfs/dbraw/zinc/59/19/79/446591979.db2.gz DOPYDYYDGXUUAX-XYPHTWIQSA-N 1 3 334.464 1.595 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371041166 446592339 /nfs/dbraw/zinc/59/23/39/446592339.db2.gz DIGKEVZYIYKCQW-QGZVFWFLSA-N 1 3 340.512 1.328 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000368113867 446649340 /nfs/dbraw/zinc/64/93/40/446649340.db2.gz UOLTXCRSOIXOIA-UKRRQHHQSA-N 1 3 328.420 1.503 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418754915 446673998 /nfs/dbraw/zinc/67/39/98/446673998.db2.gz IBUYOJPLYMJXPJ-UONOGXRCSA-N 1 3 330.423 1.357 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418754915 446674006 /nfs/dbraw/zinc/67/40/06/446674006.db2.gz IBUYOJPLYMJXPJ-UONOGXRCSA-N 1 3 330.423 1.357 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCn2cc(CO)nn2)CC1 ZINC000368083681 446631046 /nfs/dbraw/zinc/63/10/46/446631046.db2.gz OGXGWXPAMMRNAV-CRAIPNDOSA-N 1 3 335.496 1.793 20 0 EDADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083681 446631051 /nfs/dbraw/zinc/63/10/51/446631051.db2.gz OGXGWXPAMMRNAV-CRAIPNDOSA-N 1 3 335.496 1.793 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000418649434 446631881 /nfs/dbraw/zinc/63/18/81/446631881.db2.gz JCXJBOCCKMGAMY-ZTFGCOKTSA-N 1 3 348.491 1.345 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000418649434 446631884 /nfs/dbraw/zinc/63/18/84/446631884.db2.gz JCXJBOCCKMGAMY-ZTFGCOKTSA-N 1 3 348.491 1.345 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418769515 446688000 /nfs/dbraw/zinc/68/80/00/446688000.db2.gz RVJLWQVNOZELBV-CQSZACIVSA-N 1 3 348.438 1.126 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000423877975 446738326 /nfs/dbraw/zinc/73/83/26/446738326.db2.gz DKEWBNKXUVMPRG-IRXDYDNUSA-N 1 3 335.448 1.312 20 0 EDADHO C[C@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000371303010 446758249 /nfs/dbraw/zinc/75/82/49/446758249.db2.gz MGJNCCVXXAUVIM-JKSUJKDBSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000371303010 446758254 /nfs/dbraw/zinc/75/82/54/446758254.db2.gz MGJNCCVXXAUVIM-JKSUJKDBSA-N 1 3 325.497 1.676 20 0 EDADHO OC[C@@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771401 /nfs/dbraw/zinc/77/14/01/446771401.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 1 3 340.508 1.192 20 0 EDADHO OC[C@@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771409 /nfs/dbraw/zinc/77/14/09/446771409.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 1 3 340.508 1.192 20 0 EDADHO OC[C@@H]1CCCC[N@@H+](CC2(CN3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771415 /nfs/dbraw/zinc/77/14/15/446771415.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 1 3 340.508 1.192 20 0 EDADHO OC[C@@H]1CCCC[N@H+](CC2(CN3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771422 /nfs/dbraw/zinc/77/14/22/446771422.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 1 3 340.508 1.192 20 0 EDADHO CC(C)COC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368329041 446790883 /nfs/dbraw/zinc/79/08/83/446790883.db2.gz BSYCBAPFAWHOJG-GOSISDBHSA-N 1 3 341.540 1.369 20 0 EDADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000423990031 446810185 /nfs/dbraw/zinc/81/01/85/446810185.db2.gz JIZGEWVWOBZWIS-KRWDZBQOSA-N 1 3 335.448 1.125 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)CN2CCCC2=O)[C@H]1c1ccccc1 ZINC000375486739 446839426 /nfs/dbraw/zinc/83/94/26/446839426.db2.gz YNTORQMDQBWUBE-WSTZPKSXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CCC[C@H](CNC[C@H](O)CN2CCCC2=O)[C@H]1c1ccccc1 ZINC000375486739 446839432 /nfs/dbraw/zinc/83/94/32/446839432.db2.gz YNTORQMDQBWUBE-WSTZPKSXSA-N 1 3 345.487 1.642 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000419007990 446861401 /nfs/dbraw/zinc/86/14/01/446861401.db2.gz YRLJXXYAWOZDEY-RHSMWYFYSA-N 1 3 346.475 1.093 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412208313 446898042 /nfs/dbraw/zinc/89/80/42/446898042.db2.gz ORHHNCHQTHIPKT-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509082 446909428 /nfs/dbraw/zinc/90/94/28/446909428.db2.gz XLFIHCHEBMQLCD-RBUKOAKNSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509082 446909432 /nfs/dbraw/zinc/90/94/32/446909432.db2.gz XLFIHCHEBMQLCD-RBUKOAKNSA-N 1 3 338.540 1.198 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419097262 446921905 /nfs/dbraw/zinc/92/19/05/446921905.db2.gz DMCZABNPOQSISF-OWCLPIDISA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000419115238 446933932 /nfs/dbraw/zinc/93/39/32/446933932.db2.gz SSYCKMYYBHOXEK-NVXWUHKLSA-N 1 3 348.491 1.113 20 0 EDADHO COCC1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663875 446959357 /nfs/dbraw/zinc/95/93/57/446959357.db2.gz LDJUZHUYZJXLDW-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO C[NH+](C)CCCN[C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000375854909 447102405 /nfs/dbraw/zinc/10/24/05/447102405.db2.gz XAQJNVYAXNHWES-JKSUJKDBSA-N 1 3 341.496 1.942 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455656140 447199607 /nfs/dbraw/zinc/19/96/07/447199607.db2.gz JWXLETUGKXUXAX-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CC1(OCC(=O)NC[C@H]2CCCCN2Cc2ccccc2)C[NH2+]C1 ZINC000379654942 447453775 /nfs/dbraw/zinc/45/37/75/447453775.db2.gz KHUOTBKQZXAIAW-QGZVFWFLSA-N 1 3 331.460 1.536 20 0 EDADHO COC[C@]1(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488631 447478511 /nfs/dbraw/zinc/47/85/11/447478511.db2.gz LUHDKSUETPILQT-QUCCMNQESA-N 1 3 345.487 1.736 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC[NH2+]CCOC)c2)CC1 ZINC000415495636 447478447 /nfs/dbraw/zinc/47/84/47/447478447.db2.gz JLCZKBBAAVQECQ-UHFFFAOYSA-N 1 3 349.479 1.186 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458814835 447481554 /nfs/dbraw/zinc/48/15/54/447481554.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458814835 447481558 /nfs/dbraw/zinc/48/15/58/447481558.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656279 447496451 /nfs/dbraw/zinc/49/64/51/447496451.db2.gz WMFCUKWGFMRDLC-OAGGEKHMSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656279 447496455 /nfs/dbraw/zinc/49/64/55/447496455.db2.gz WMFCUKWGFMRDLC-OAGGEKHMSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@H](O)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000450466001 447498762 /nfs/dbraw/zinc/49/87/62/447498762.db2.gz FIXREZASPUIZPU-KRWDZBQOSA-N 1 3 347.503 1.718 20 0 EDADHO CN1CCC(CNC(=O)[C@@H]2CCCN2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792969 447502014 /nfs/dbraw/zinc/50/20/14/447502014.db2.gz OLSAIGBMPVNYTI-SFHVURJKSA-N 1 3 348.535 1.680 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415482364 447470855 /nfs/dbraw/zinc/47/08/55/447470855.db2.gz FELZYTYSCXTONO-INIZCTEOSA-N 1 3 348.491 1.561 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458767959 447474700 /nfs/dbraw/zinc/47/47/00/447474700.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458767959 447474704 /nfs/dbraw/zinc/47/47/04/447474704.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000416826973 447692143 /nfs/dbraw/zinc/69/21/43/447692143.db2.gz CIIABPCQKLLZLQ-BPQIPLTHSA-N 1 3 332.492 1.786 20 0 EDADHO CN(C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000416827902 447692702 /nfs/dbraw/zinc/69/27/02/447692702.db2.gz DGWPCZXZUABRIP-MSOLQXFVSA-N 1 3 332.492 1.991 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000458197325 447742492 /nfs/dbraw/zinc/74/24/92/447742492.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000458197325 447742495 /nfs/dbraw/zinc/74/24/95/447742495.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422946984 447777814 /nfs/dbraw/zinc/77/78/14/447777814.db2.gz XNOTVEIJTOIFRO-RTXFEEFZSA-N 1 3 329.238 1.658 20 0 EDADHO CC(C)[C@](C)(CN)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000430558313 447778599 /nfs/dbraw/zinc/77/85/99/447778599.db2.gz PZHIIVFWQHBRHL-IBGZPJMESA-N 1 3 332.492 1.294 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1C ZINC000569741173 447881138 /nfs/dbraw/zinc/88/11/38/447881138.db2.gz ZLEUIUKLCWSQGU-VNQPRFMTSA-N 1 3 325.522 1.803 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523649098 447895661 /nfs/dbraw/zinc/89/56/61/447895661.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 1 3 339.480 1.204 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523649098 447895664 /nfs/dbraw/zinc/89/56/64/447895664.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 1 3 339.480 1.204 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000575997410 447948441 /nfs/dbraw/zinc/94/84/41/447948441.db2.gz VPZCJHRJASCWKB-INIZCTEOSA-N 1 3 348.495 1.640 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000525228353 447980442 /nfs/dbraw/zinc/98/04/42/447980442.db2.gz QNXFACOVYDPFKC-INIZCTEOSA-N 1 3 348.495 1.927 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3nc(C)no3)CC2)CC1 ZINC000576408352 448047120 /nfs/dbraw/zinc/04/71/20/448047120.db2.gz CMOBENVQYSEJOT-ZDUSSCGKSA-N 1 3 349.479 1.752 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292723 448055234 /nfs/dbraw/zinc/05/52/34/448055234.db2.gz DLIBLRQDPXPCFK-IEBWSBKVSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292723 448055239 /nfs/dbraw/zinc/05/52/39/448055239.db2.gz DLIBLRQDPXPCFK-IEBWSBKVSA-N 1 3 331.460 1.081 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571059478 448102974 /nfs/dbraw/zinc/10/29/74/448102974.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 1 3 339.528 1.171 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000571059478 448102980 /nfs/dbraw/zinc/10/29/80/448102980.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 1 3 339.528 1.171 20 0 EDADHO C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)C(=O)NCCN1CCCCC1 ZINC000571163570 448114698 /nfs/dbraw/zinc/11/46/98/448114698.db2.gz ZQSQYZSYENGHCS-LSDHHAIUSA-N 1 3 346.475 1.427 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000571404748 448148082 /nfs/dbraw/zinc/14/80/82/448148082.db2.gz PRVLEDHVHTURET-HMQMGEFJSA-N 1 3 338.496 1.004 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000571404748 448148087 /nfs/dbraw/zinc/14/80/87/448148087.db2.gz PRVLEDHVHTURET-HMQMGEFJSA-N 1 3 338.496 1.004 20 0 EDADHO Cc1cc(=O)[nH]c2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc12 ZINC000514756358 448199202 /nfs/dbraw/zinc/19/92/02/448199202.db2.gz ZKZCJWPVCORULC-UHFFFAOYSA-N 1 3 344.459 1.814 20 0 EDADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2n[nH]cc21 ZINC000527125900 448164627 /nfs/dbraw/zinc/16/46/27/448164627.db2.gz UDOBLRRTHUHPDJ-UHFFFAOYSA-N 1 3 332.452 1.828 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000577286348 448258238 /nfs/dbraw/zinc/25/82/38/448258238.db2.gz LRJDGRVHYMJQAA-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO NC(=O)N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000532487289 448264065 /nfs/dbraw/zinc/26/40/65/448264065.db2.gz SRHRWNPKEUWRSI-QGZVFWFLSA-N 1 3 330.476 1.684 20 0 EDADHO NC(=O)N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000532487288 448264483 /nfs/dbraw/zinc/26/44/83/448264483.db2.gz SRHRWNPKEUWRSI-KRWDZBQOSA-N 1 3 330.476 1.684 20 0 EDADHO CN1CCN(c2ncc(CNC[C@H]3CC[N@@H+]3C3CCCC3)cn2)CC1 ZINC000527805299 448365384 /nfs/dbraw/zinc/36/53/84/448365384.db2.gz GQGFZVDPBRVCBZ-GOSISDBHSA-N 1 3 344.507 1.335 20 0 EDADHO CN1CCN(c2ncc(CNC[C@H]3CC[N@H+]3C3CCCC3)cn2)CC1 ZINC000527805299 448365388 /nfs/dbraw/zinc/36/53/88/448365388.db2.gz GQGFZVDPBRVCBZ-GOSISDBHSA-N 1 3 344.507 1.335 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](O)C(C)C)CC2)CC1 ZINC000572255358 448329050 /nfs/dbraw/zinc/32/90/50/448329050.db2.gz JBQYWBGKOLXRKD-GOSISDBHSA-N 1 3 339.524 1.706 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162930 448400789 /nfs/dbraw/zinc/40/07/89/448400789.db2.gz NHVWZOAXJGMTMB-QAPCUYQASA-N 1 3 349.475 1.258 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000566162931 448400925 /nfs/dbraw/zinc/40/09/25/448400925.db2.gz NHVWZOAXJGMTMB-YJBOKZPZSA-N 1 3 349.475 1.258 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000577963015 448427918 /nfs/dbraw/zinc/42/79/18/448427918.db2.gz MBUGKBNQUXVAMN-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000577995825 448433803 /nfs/dbraw/zinc/43/38/03/448433803.db2.gz AXZQRXNTYCWWBJ-YOEHRIQHSA-N 1 3 342.443 1.171 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)CC[C@@H]21 ZINC000577995825 448433810 /nfs/dbraw/zinc/43/38/10/448433810.db2.gz AXZQRXNTYCWWBJ-YOEHRIQHSA-N 1 3 342.443 1.171 20 0 EDADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000516653807 448457998 /nfs/dbraw/zinc/45/79/98/448457998.db2.gz WPFREIDWHHXPFZ-QFBILLFUSA-N 1 3 344.503 1.438 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459281 448533481 /nfs/dbraw/zinc/53/34/81/448533481.db2.gz UDGHXEULPIMUPW-CRAIPNDOSA-N 1 3 330.476 1.806 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1cccs1 ZINC000537708684 448567618 /nfs/dbraw/zinc/56/76/18/448567618.db2.gz UGYSDIFIQGLZID-UHFFFAOYSA-N 1 3 326.510 1.816 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000566673464 448534792 /nfs/dbraw/zinc/53/47/92/448534792.db2.gz NIAXYRNYEKIFQQ-YYIAUSFCSA-N 1 3 329.529 1.413 20 0 EDADHO Cc1cc(NC(=O)NCC2=CCN(C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000537249946 448553920 /nfs/dbraw/zinc/55/39/20/448553920.db2.gz VRPULQPIQSMIAB-UHFFFAOYSA-N 1 3 346.479 1.842 20 0 EDADHO CC(C)Oc1ccc2nccc(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2c1 ZINC000578668430 448608133 /nfs/dbraw/zinc/60/81/33/448608133.db2.gz BISHYFROYSMHSN-CZUORRHYSA-N 1 3 340.427 1.770 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000567102455 448614121 /nfs/dbraw/zinc/61/41/21/448614121.db2.gz BJMHBPYEWZFPSI-NQYYFHDYSA-N 1 3 345.487 1.562 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000567102455 448614127 /nfs/dbraw/zinc/61/41/27/448614127.db2.gz BJMHBPYEWZFPSI-NQYYFHDYSA-N 1 3 345.487 1.562 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491541 448684477 /nfs/dbraw/zinc/68/44/77/448684477.db2.gz NXNIRDNRSYUOBE-SJORKVTESA-N 1 3 330.476 1.938 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567795252 448763920 /nfs/dbraw/zinc/76/39/20/448763920.db2.gz HQMJAIBWILAJNQ-GJZGRUSLSA-N 1 3 334.468 1.024 20 0 EDADHO CC(C)[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529282993 448806491 /nfs/dbraw/zinc/80/64/91/448806491.db2.gz NYAZKUYSIJSEAV-QZTJIDSGSA-N 1 3 330.476 1.900 20 0 EDADHO CC(C)[C@H]1CNCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529282993 448806493 /nfs/dbraw/zinc/80/64/93/448806493.db2.gz NYAZKUYSIJSEAV-QZTJIDSGSA-N 1 3 330.476 1.900 20 0 EDADHO CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000579345833 448771538 /nfs/dbraw/zinc/77/15/38/448771538.db2.gz QALYUYBCWCZKBC-UXLLHSPISA-N 1 3 326.481 1.933 20 0 EDADHO CCOC(=O)CC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579345833 448771543 /nfs/dbraw/zinc/77/15/43/448771543.db2.gz QALYUYBCWCZKBC-UXLLHSPISA-N 1 3 326.481 1.933 20 0 EDADHO CCOC(=O)CC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579345833 448771545 /nfs/dbraw/zinc/77/15/45/448771545.db2.gz QALYUYBCWCZKBC-UXLLHSPISA-N 1 3 326.481 1.933 20 0 EDADHO C(N[C@H]1CCO[C@@H]1C1CC1)C1(C[NH2+][C@@H]2CCO[C@H]2C2CC2)COC1 ZINC000519577661 448789271 /nfs/dbraw/zinc/78/92/71/448789271.db2.gz JHFRREPALRMVSZ-FZDBZEDMSA-N 1 3 336.476 1.317 20 0 EDADHO C(N[C@@H]1CCO[C@H]1C1CC1)C1(C[NH2+][C@H]2CCO[C@@H]2C2CC2)COC1 ZINC000519577661 448789277 /nfs/dbraw/zinc/78/92/77/448789277.db2.gz JHFRREPALRMVSZ-FZDBZEDMSA-N 1 3 336.476 1.317 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)ccn1 ZINC000529322368 448823617 /nfs/dbraw/zinc/82/36/17/448823617.db2.gz POWQWNNHILXUPD-OAHLLOKOSA-N 1 3 347.463 1.106 20 0 EDADHO N[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1ccccc1 ZINC000519767974 448839686 /nfs/dbraw/zinc/83/96/86/448839686.db2.gz JYKIOPOXRNBCTR-SOUVJXGZSA-N 1 3 325.416 1.054 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC000568856251 448926926 /nfs/dbraw/zinc/92/69/26/448926926.db2.gz PDVAOSMKFUVGEE-RBSFLKMASA-N 1 3 336.480 1.009 20 0 EDADHO CC(C)[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000568864704 448929993 /nfs/dbraw/zinc/92/99/93/448929993.db2.gz IVJOMYBXYCMKLR-KRWDZBQOSA-N 1 3 333.480 1.566 20 0 EDADHO C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCNC1 ZINC000574683614 448931877 /nfs/dbraw/zinc/93/18/77/448931877.db2.gz UUPDJOZZHCVTGH-HUUCEWRRSA-N 1 3 336.480 1.609 20 0 EDADHO CN1CCC(C[NH2+]C[C@H](O)CC2CCCC2)(N2CCOCC2)CC1 ZINC000574869680 448973887 /nfs/dbraw/zinc/97/38/87/448973887.db2.gz YREYYKYESHAQQS-GOSISDBHSA-N 1 3 339.524 1.314 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CCN(C)CC1 ZINC000589714587 449056610 /nfs/dbraw/zinc/05/66/10/449056610.db2.gz UIEBFBYRZPCALA-HNNXBMFYSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241485 449092679 /nfs/dbraw/zinc/09/26/79/449092679.db2.gz QHNQBGLJRWBDFB-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945318 449272124 /nfs/dbraw/zinc/27/21/24/449272124.db2.gz LHQKAPJMZNLIPP-IAGOWNOFSA-N 1 3 335.517 1.842 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945318 449272127 /nfs/dbraw/zinc/27/21/27/449272127.db2.gz LHQKAPJMZNLIPP-IAGOWNOFSA-N 1 3 335.517 1.842 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC(=O)NC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000595904815 449244576 /nfs/dbraw/zinc/24/45/76/449244576.db2.gz LNLJONLUGKYGKS-GDBMZVCRSA-N 1 3 338.496 1.984 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267272 /nfs/dbraw/zinc/26/72/72/449267272.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267275 /nfs/dbraw/zinc/26/72/75/449267275.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 1 3 349.523 1.035 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945818 449271511 /nfs/dbraw/zinc/27/15/11/449271511.db2.gz OOJICILKVAUYLT-DLBZAZTESA-N 1 3 347.459 1.042 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945818 449271518 /nfs/dbraw/zinc/27/15/18/449271518.db2.gz OOJICILKVAUYLT-DLBZAZTESA-N 1 3 347.459 1.042 20 0 EDADHO COC(=O)C[C@@H]1CC[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@@H]1C ZINC000602020501 449279924 /nfs/dbraw/zinc/27/99/24/449279924.db2.gz KNWSDDFMVYJGQQ-IJEWVQPXSA-N 1 3 332.448 1.881 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913704 449281340 /nfs/dbraw/zinc/28/13/40/449281340.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 1 3 346.475 1.131 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913704 449281346 /nfs/dbraw/zinc/28/13/46/449281346.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 1 3 346.475 1.131 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000598666193 449528980 /nfs/dbraw/zinc/52/89/80/449528980.db2.gz VPQFEKXXPRZXHE-ZWKOTPCHSA-N 1 3 336.524 1.393 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606659095 449499715 /nfs/dbraw/zinc/49/97/15/449499715.db2.gz MVDULXPEOGWONZ-CQSZACIVSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCc2cccnc21 ZINC000617507341 449655388 /nfs/dbraw/zinc/65/53/88/449655388.db2.gz SJBDDZDFSMTHSL-RDJZCZTQSA-N 1 3 332.492 1.890 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCCc2cccnc21 ZINC000617507341 449655394 /nfs/dbraw/zinc/65/53/94/449655394.db2.gz SJBDDZDFSMTHSL-RDJZCZTQSA-N 1 3 332.492 1.890 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000617504165 449645880 /nfs/dbraw/zinc/64/58/80/449645880.db2.gz INNGZKGKSCHIJX-MPGHIAIKSA-N 1 3 349.475 1.603 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Oc2ccccc2O[C@H]1C ZINC000617504165 449645885 /nfs/dbraw/zinc/64/58/85/449645885.db2.gz INNGZKGKSCHIJX-MPGHIAIKSA-N 1 3 349.475 1.603 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742326 /nfs/dbraw/zinc/74/23/26/449742326.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 1 3 345.487 1.744 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742334 /nfs/dbraw/zinc/74/23/34/449742334.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 1 3 345.487 1.744 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975864 449967137 /nfs/dbraw/zinc/96/71/37/449967137.db2.gz OPLIPJAVIPIGIR-ULQDDVLXSA-N 1 3 328.460 1.873 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620482923 450501498 /nfs/dbraw/zinc/50/14/98/450501498.db2.gz VJFGYGSZLOXHQR-SFHVURJKSA-N 1 3 331.460 1.419 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620482923 450501500 /nfs/dbraw/zinc/50/15/00/450501500.db2.gz VJFGYGSZLOXHQR-SFHVURJKSA-N 1 3 331.460 1.419 20 0 EDADHO CN1CCN(c2cc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)ccn2)CC1 ZINC000623359233 450505133 /nfs/dbraw/zinc/50/51/33/450505133.db2.gz ICGACUOGQUTEJE-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CN1CCN(c2cc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)ccn2)CC1 ZINC000623359233 450505137 /nfs/dbraw/zinc/50/51/37/450505137.db2.gz ICGACUOGQUTEJE-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CN1CCN(c2cc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)ccn2)CC1 ZINC000623359233 450505140 /nfs/dbraw/zinc/50/51/40/450505140.db2.gz ICGACUOGQUTEJE-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627275054 450614922 /nfs/dbraw/zinc/61/49/22/450614922.db2.gz BXPZQOMTVKAPES-GBESFXJTSA-N 1 3 345.487 1.183 20 0 EDADHO CN(C)C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627275054 450614927 /nfs/dbraw/zinc/61/49/27/450614927.db2.gz BXPZQOMTVKAPES-GBESFXJTSA-N 1 3 345.487 1.183 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC1(C[NH3+])CCCCC1 ZINC000633048773 450646510 /nfs/dbraw/zinc/64/65/10/450646510.db2.gz CTQZBYZIDWLXGB-UHFFFAOYSA-N 1 3 346.475 1.507 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCCc3ncccc32)(N2CCOCC2)CC1 ZINC000631637135 450688740 /nfs/dbraw/zinc/68/87/40/450688740.db2.gz QKCCWFYSGLWMIU-LJQANCHMSA-N 1 3 344.503 1.845 20 0 EDADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114177 450710255 /nfs/dbraw/zinc/71/02/55/450710255.db2.gz VNHJTRHKAKDAEG-OAHLLOKOSA-N 1 3 329.452 1.167 20 0 EDADHO CCN(CC[NH3+])[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000629556696 450734513 /nfs/dbraw/zinc/73/45/13/450734513.db2.gz OOJCVDSPTLDVCY-INIZCTEOSA-N 1 3 332.492 1.436 20 0 EDADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000629580288 450748156 /nfs/dbraw/zinc/74/81/56/450748156.db2.gz WCTFKQBACHDSSH-UHFFFAOYSA-N 1 3 348.447 1.049 20 0 EDADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000624231120 450757324 /nfs/dbraw/zinc/75/73/24/450757324.db2.gz PYFJFHYTSAVVFI-YLJYHZDGSA-N 1 3 331.504 1.738 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NCCN2CC[C@@H](O)C2)CC1 ZINC000624231120 450757327 /nfs/dbraw/zinc/75/73/27/450757327.db2.gz PYFJFHYTSAVVFI-YLJYHZDGSA-N 1 3 331.504 1.738 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798410 /nfs/dbraw/zinc/79/84/10/450798410.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798415 /nfs/dbraw/zinc/79/84/15/450798415.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798422 /nfs/dbraw/zinc/79/84/22/450798422.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 1 3 343.515 1.943 20 0 EDADHO CN(CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)CC(C)(C)C ZINC000635410006 450917569 /nfs/dbraw/zinc/91/75/69/450917569.db2.gz BTNOAIJBQPKQSI-UHFFFAOYSA-N 1 3 333.480 1.750 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930834 /nfs/dbraw/zinc/93/08/34/450930834.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 1 3 331.460 1.354 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930837 /nfs/dbraw/zinc/93/08/37/450930837.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 1 3 331.460 1.354 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626971334 451042604 /nfs/dbraw/zinc/04/26/04/451042604.db2.gz FCWJFHZRXILKRC-UONOGXRCSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013169 451077519 /nfs/dbraw/zinc/07/75/19/451077519.db2.gz LSLVOQVYRXTXDS-LMSBXDPUSA-N 1 3 330.476 1.947 20 0 EDADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034433 451093046 /nfs/dbraw/zinc/09/30/46/451093046.db2.gz GOVWGIHYDHXFMI-ZIAGYGMSSA-N 1 3 338.452 1.516 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000627176067 451166465 /nfs/dbraw/zinc/16/64/65/451166465.db2.gz ILQJPGBYVCOIFY-UHFFFAOYSA-N 1 3 348.491 1.528 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000635830129 451279936 /nfs/dbraw/zinc/27/99/36/451279936.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 1 3 330.476 1.846 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000635830129 451279938 /nfs/dbraw/zinc/27/99/38/451279938.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@]2(C)CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131530 451303833 /nfs/dbraw/zinc/30/38/33/451303833.db2.gz RHRQRWQKHPOONT-APWZRJJASA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@]2(C)CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131530 451303838 /nfs/dbraw/zinc/30/38/38/451303838.db2.gz RHRQRWQKHPOONT-APWZRJJASA-N 1 3 331.460 1.488 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638131935 451304234 /nfs/dbraw/zinc/30/42/34/451304234.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638131935 451304237 /nfs/dbraw/zinc/30/42/37/451304237.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141810 451316650 /nfs/dbraw/zinc/31/66/50/451316650.db2.gz IGHHKNHQPDQAJO-RTBURBONSA-N 1 3 344.503 1.436 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638214292 451358165 /nfs/dbraw/zinc/35/81/65/451358165.db2.gz YALZQFXPCQFTAS-GFCCVEGCSA-N 1 3 333.436 1.031 20 0 EDADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629661 451367507 /nfs/dbraw/zinc/36/75/07/451367507.db2.gz UVHNHSAHGAYBJN-KBAYOESNSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629661 451367509 /nfs/dbraw/zinc/36/75/09/451367509.db2.gz UVHNHSAHGAYBJN-KBAYOESNSA-N 1 3 346.475 1.188 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927431 451369957 /nfs/dbraw/zinc/36/99/57/451369957.db2.gz NOFUHVYPLMJVCO-IRXDYDNUSA-N 1 3 341.496 1.057 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000634698771 451470995 /nfs/dbraw/zinc/47/09/95/451470995.db2.gz XHTKBUDDYMHDEO-IBGZPJMESA-N 1 3 348.487 1.665 20 0 EDADHO CC(C)(C)NC(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634702716 451477980 /nfs/dbraw/zinc/47/79/80/451477980.db2.gz KQNUNYJOWKVOOK-LJQANCHMSA-N 1 3 333.476 1.518 20 0 EDADHO CC(C)(C)NC(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634702716 451477982 /nfs/dbraw/zinc/47/79/82/451477982.db2.gz KQNUNYJOWKVOOK-LJQANCHMSA-N 1 3 333.476 1.518 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)CC1(O)CCOCC1 ZINC000634706136 451484017 /nfs/dbraw/zinc/48/40/17/451484017.db2.gz LIAFANIWBWFJKG-QGZVFWFLSA-N 1 3 326.481 1.276 20 0 EDADHO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000638489830 451541904 /nfs/dbraw/zinc/54/19/04/451541904.db2.gz OMAWQQDUXSHYMK-IBGZPJMESA-N 1 3 344.503 1.504 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000636920224 451607870 /nfs/dbraw/zinc/60/78/70/451607870.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 1 3 346.475 1.015 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000636920224 451607874 /nfs/dbraw/zinc/60/78/74/451607874.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 1 3 346.475 1.015 20 0 EDADHO CC[C@@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640837176 451622490 /nfs/dbraw/zinc/62/24/90/451622490.db2.gz OBJASNLHUOLQOP-ZBFHGGJFSA-N 1 3 330.436 1.107 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638672285 451643593 /nfs/dbraw/zinc/64/35/93/451643593.db2.gz UTUKVOOGPITXOX-LLVKDONJSA-N 1 3 327.388 1.221 20 0 EDADHO O=C(c1ccc2c(c1)CNC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638783017 451689850 /nfs/dbraw/zinc/68/98/50/451689850.db2.gz FWZQXAKKNGLNNM-GOSISDBHSA-N 1 3 329.444 1.521 20 0 EDADHO O=C(c1cccc2c1CNC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785611 451691278 /nfs/dbraw/zinc/69/12/78/451691278.db2.gz DUJIGIGMGUVXQX-MRXNPFEDSA-N 1 3 329.444 1.521 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632962883 451670992 /nfs/dbraw/zinc/67/09/92/451670992.db2.gz PQURWCROABZXKH-CJNGLKHVSA-N 1 3 334.468 1.883 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006337 451751757 /nfs/dbraw/zinc/75/17/57/451751757.db2.gz VXJLROZJPRUNRE-HZPDHXFCSA-N 1 3 337.414 1.930 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637207476 451756524 /nfs/dbraw/zinc/75/65/24/451756524.db2.gz IRWQHODBFXZUIH-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646795493 451845376 /nfs/dbraw/zinc/84/53/76/451845376.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 1 3 347.503 1.636 20 0 EDADHO COCCN(C)CCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646795493 451845378 /nfs/dbraw/zinc/84/53/78/451845378.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 1 3 347.503 1.636 20 0 EDADHO CC(C)CC[C@H](O)C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000644533787 451847304 /nfs/dbraw/zinc/84/73/04/451847304.db2.gz FEVIYABIBQHVDS-IBGZPJMESA-N 1 3 334.508 1.980 20 0 EDADHO CC(C)[NH+](CCCNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581368 451873537 /nfs/dbraw/zinc/87/35/37/451873537.db2.gz GHOCPGRSLGZRTQ-KSZLIROESA-N 1 3 329.529 1.555 20 0 EDADHO C[C@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000653412526 451925735 /nfs/dbraw/zinc/92/57/35/451925735.db2.gz WZXYMDCQQSUBOM-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649287596 451960928 /nfs/dbraw/zinc/96/09/28/451960928.db2.gz SRAUQUQTZHEELM-GOSISDBHSA-N 1 3 331.460 1.265 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649288566 451961826 /nfs/dbraw/zinc/96/18/26/451961826.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649288566 451961833 /nfs/dbraw/zinc/96/18/33/451961833.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 1 3 344.503 1.568 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)COC3(C)CNC3)cc2)CC1 ZINC000649288246 451962230 /nfs/dbraw/zinc/96/22/30/451962230.db2.gz GADKSOSUOXRTHV-UHFFFAOYSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000649311866 451989712 /nfs/dbraw/zinc/98/97/12/451989712.db2.gz XWGLHRLZOJSERJ-CRAIPNDOSA-N 1 3 330.476 1.545 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)[C@]2(N)CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331704 452013262 /nfs/dbraw/zinc/01/32/62/452013262.db2.gz PFJVYVHJKMJRRW-JXFKEZNVSA-N 1 3 344.503 1.799 20 0 EDADHO COC[C@@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342872 452023231 /nfs/dbraw/zinc/02/32/31/452023231.db2.gz VBMBLQULWDJXMU-IEBWSBKVSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)c2ccccc2O1 ZINC000649347171 452030391 /nfs/dbraw/zinc/03/03/91/452030391.db2.gz IHXKFUUEJCGHGD-OAHLLOKOSA-N 1 3 333.432 1.111 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806485 452092057 /nfs/dbraw/zinc/09/20/57/452092057.db2.gz LFWLPCYFUYDBNQ-GOSISDBHSA-N 1 3 330.476 1.189 20 0 EDADHO C[N@H+](C[C@H](O)CNCCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000649488670 452108867 /nfs/dbraw/zinc/10/88/67/452108867.db2.gz VNKMKDFELAHNHU-CYBMUJFWSA-N 1 3 328.359 1.595 20 0 EDADHO C[N@@H+](C[C@H](O)CNCCc1ccc2c(c1)OC(F)(F)O2)C1CC1 ZINC000649488670 452108873 /nfs/dbraw/zinc/10/88/73/452108873.db2.gz VNKMKDFELAHNHU-CYBMUJFWSA-N 1 3 328.359 1.595 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCCCC[C@H]1CO)c1ccccc1 ZINC000653783491 452114703 /nfs/dbraw/zinc/11/47/03/452114703.db2.gz LXLSMHTUHDTXIQ-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO CN1CCC[C@H]1CC[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122091 /nfs/dbraw/zinc/12/20/91/452122091.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 1 3 327.538 1.610 20 0 EDADHO CN1CCC[C@H]1CC[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122093 /nfs/dbraw/zinc/12/20/93/452122093.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 1 3 327.538 1.610 20 0 EDADHO CN(C)c1ncc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)n1C ZINC000647249287 452145738 /nfs/dbraw/zinc/14/57/38/452145738.db2.gz PRBLGPDUDJGSHD-AEFFLSMTSA-N 1 3 327.476 1.921 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654013268 452203826 /nfs/dbraw/zinc/20/38/26/452203826.db2.gz YRHBLBFENLCOHE-HOTGVXAUSA-N 1 3 334.468 1.583 20 0 EDADHO CC(C)C[C@H](NCc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NCC[NH+](C)C ZINC000641742484 452232143 /nfs/dbraw/zinc/23/21/43/452232143.db2.gz CNEPQYUDZPIZIL-INIZCTEOSA-N 1 3 347.463 1.451 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659438162 452286773 /nfs/dbraw/zinc/28/67/73/452286773.db2.gz PITNVIIVAKARGE-HFCFLWKCSA-N 1 3 328.460 1.702 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659444407 452293353 /nfs/dbraw/zinc/29/33/53/452293353.db2.gz HJBJGVAIDFIWQX-UHFFFAOYSA-N 1 3 334.464 1.698 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536879 452300602 /nfs/dbraw/zinc/30/06/02/452300602.db2.gz XKWMHOBNZFRWRI-HOTGVXAUSA-N 1 3 335.473 1.443 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1cnn(C)c1 ZINC000665758309 452328054 /nfs/dbraw/zinc/32/80/54/452328054.db2.gz FGBJCOQBJNWTPU-AWEZNQCLSA-N 1 3 338.500 1.226 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)c1cnn(C)c1 ZINC000665758309 452328060 /nfs/dbraw/zinc/32/80/60/452328060.db2.gz FGBJCOQBJNWTPU-AWEZNQCLSA-N 1 3 338.500 1.226 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)OC(C)(C)C1 ZINC000665762064 452336019 /nfs/dbraw/zinc/33/60/19/452336019.db2.gz ZNMOPVZKXILCQF-HNNXBMFYSA-N 1 3 342.528 1.857 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763462 452346328 /nfs/dbraw/zinc/34/63/28/452346328.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 1 3 327.517 1.042 20 0 EDADHO CN(CCC[NH3+])C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000659490478 452350141 /nfs/dbraw/zinc/35/01/41/452350141.db2.gz VOFKWSRGKZYINL-UHFFFAOYSA-N 1 3 336.402 1.782 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000638062284 452355848 /nfs/dbraw/zinc/35/58/48/452355848.db2.gz DUSAVQLQDINUSZ-AZUAARDMSA-N 1 3 345.487 1.843 20 0 EDADHO C[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067600 452371169 /nfs/dbraw/zinc/37/11/69/452371169.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067600 452371176 /nfs/dbraw/zinc/37/11/76/452371176.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 1 3 346.519 1.682 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659523855 452387612 /nfs/dbraw/zinc/38/76/12/452387612.db2.gz XUDJBUPQNJCMFW-QZTJIDSGSA-N 1 3 348.491 1.426 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)CCO1 ZINC000659533951 452394642 /nfs/dbraw/zinc/39/46/42/452394642.db2.gz ZQEOLRYCBJOMGP-GOSISDBHSA-N 1 3 346.475 1.542 20 0 EDADHO CC1(C)CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCN1 ZINC000659566993 452421577 /nfs/dbraw/zinc/42/15/77/452421577.db2.gz QKWYSPIATXZKHC-UHFFFAOYSA-N 1 3 345.491 1.687 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659607903 452464138 /nfs/dbraw/zinc/46/41/38/452464138.db2.gz HKIXKYUDVJHMKM-FUHWJXTLSA-N 1 3 336.480 1.025 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346760 452521923 /nfs/dbraw/zinc/52/19/23/452521923.db2.gz HEJYZDSGBKSBCC-LUKYLMHMSA-N 1 3 341.496 1.136 20 0 EDADHO Cc1csc(=O)n1CCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362007 452544722 /nfs/dbraw/zinc/54/47/22/452544722.db2.gz VMRSKOQMRUPOQQ-RBSFLKMASA-N 1 3 325.478 1.579 20 0 EDADHO C[C@H](O)[C@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768002 452564003 /nfs/dbraw/zinc/56/40/03/452564003.db2.gz SQSJMGUEOZCTKX-ILRDRHFLSA-N 1 3 333.476 1.772 20 0 EDADHO C[C@H](O)[C@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768002 452564013 /nfs/dbraw/zinc/56/40/13/452564013.db2.gz SQSJMGUEOZCTKX-ILRDRHFLSA-N 1 3 333.476 1.772 20 0 EDADHO C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N(C)C1CC1 ZINC000663998026 452698700 /nfs/dbraw/zinc/69/87/00/452698700.db2.gz IFXFUAGLJLRWHU-GOEBONIOSA-N 1 3 326.485 1.221 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930959 452700651 /nfs/dbraw/zinc/70/06/51/452700651.db2.gz WBEQKSCCEMRHNU-OLZOCXBDSA-N 1 3 348.369 1.487 20 0 EDADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000661954078 452715721 /nfs/dbraw/zinc/71/57/21/452715721.db2.gz UHKMBWWUGNQICI-BBWFWOEESA-N 1 3 338.496 1.148 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953137 452716016 /nfs/dbraw/zinc/71/60/16/452716016.db2.gz MGJCHECHZGVHNL-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257691 452984926 /nfs/dbraw/zinc/98/49/26/452984926.db2.gz PDYWMJFNBSPHPC-SFHVURJKSA-N 1 3 343.471 1.744 20 0 EDADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257691 452984932 /nfs/dbraw/zinc/98/49/32/452984932.db2.gz PDYWMJFNBSPHPC-SFHVURJKSA-N 1 3 343.471 1.744 20 0 EDADHO CCN(C[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)CC(F)(F)F ZINC000662262564 452993869 /nfs/dbraw/zinc/99/38/69/452993869.db2.gz HLBVWFCTQAVJRS-KGLIPLIRSA-N 1 3 335.414 1.714 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)CC(F)(F)F ZINC000662262564 452993873 /nfs/dbraw/zinc/99/38/73/452993873.db2.gz HLBVWFCTQAVJRS-KGLIPLIRSA-N 1 3 335.414 1.714 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666627507 453019987 /nfs/dbraw/zinc/01/99/87/453019987.db2.gz QROYCQDILDLPOY-GASCZTMLSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666627507 453019994 /nfs/dbraw/zinc/01/99/94/453019994.db2.gz QROYCQDILDLPOY-GASCZTMLSA-N 1 3 346.475 1.568 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000662305669 453025047 /nfs/dbraw/zinc/02/50/47/453025047.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 1 3 344.503 1.057 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000662305669 453025057 /nfs/dbraw/zinc/02/50/57/453025057.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 1 3 344.503 1.057 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000662305669 453025068 /nfs/dbraw/zinc/02/50/68/453025068.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 1 3 344.503 1.057 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000662305669 453025076 /nfs/dbraw/zinc/02/50/76/453025076.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 1 3 344.503 1.057 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640981 453031057 /nfs/dbraw/zinc/03/10/57/453031057.db2.gz UHMMSYFQSQOEMZ-DOTOQJQBSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640981 453031063 /nfs/dbraw/zinc/03/10/63/453031063.db2.gz UHMMSYFQSQOEMZ-DOTOQJQBSA-N 1 3 333.501 1.974 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645490 453033146 /nfs/dbraw/zinc/03/31/46/453033146.db2.gz UDDJXEOVXVBSTK-MOPGFXCFSA-N 1 3 344.503 1.390 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645490 453033156 /nfs/dbraw/zinc/03/31/56/453033156.db2.gz UDDJXEOVXVBSTK-MOPGFXCFSA-N 1 3 344.503 1.390 20 0 EDADHO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666689638 453068013 /nfs/dbraw/zinc/06/80/13/453068013.db2.gz XTYYPVKRUCSJNS-UHFFFAOYSA-N 1 3 332.448 1.274 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000662384811 453094992 /nfs/dbraw/zinc/09/49/92/453094992.db2.gz XEXSBVYJTBHMAN-GOSISDBHSA-N 1 3 332.492 1.438 20 0 EDADHO CN(C)CCn1cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cn1 ZINC000662426120 453133986 /nfs/dbraw/zinc/13/39/86/453133986.db2.gz SQXMJOOSJBKMBY-UHFFFAOYSA-N 1 3 332.408 1.152 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662493511 453209711 /nfs/dbraw/zinc/20/97/11/453209711.db2.gz NICBGMINAXAHAK-IRXDYDNUSA-N 1 3 326.529 1.387 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000666974713 453293176 /nfs/dbraw/zinc/29/31/76/453293176.db2.gz XJWXTRHXXGZTBP-HYVNUMGLSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000666974713 453293185 /nfs/dbraw/zinc/29/31/85/453293185.db2.gz XJWXTRHXXGZTBP-HYVNUMGLSA-N 1 3 338.496 1.364 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653108992 453293634 /nfs/dbraw/zinc/29/36/34/453293634.db2.gz PAIWWBIQFVDWEM-ZWKOTPCHSA-N 1 3 331.460 1.774 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccsc1 ZINC000653109522 453294009 /nfs/dbraw/zinc/29/40/09/453294009.db2.gz DJZIQDOMQGOSTI-ZOBUZTSGSA-N 1 3 337.489 1.483 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113241 453299455 /nfs/dbraw/zinc/29/94/55/453299455.db2.gz XOOZMOKLYPKTBY-XZKMEQPCSA-N 1 3 329.444 1.174 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588869 453315200 /nfs/dbraw/zinc/31/52/00/453315200.db2.gz FRYJVLHXEBVFJP-MDZRGWNJSA-N 1 3 337.508 1.757 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N(CC)CC ZINC000653184070 453375694 /nfs/dbraw/zinc/37/56/94/453375694.db2.gz MMFPEGDFQZFBSH-MWDXBVQZSA-N 1 3 325.497 1.852 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673804 453391126 /nfs/dbraw/zinc/39/11/26/453391126.db2.gz RKPUKLXUTKYFFY-ROUUACIJSA-N 1 3 331.460 1.439 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@H]1C ZINC000662679161 453398846 /nfs/dbraw/zinc/39/88/46/453398846.db2.gz KYUOSQYRQTWGBC-OAGGEKHMSA-N 1 3 348.495 1.585 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681009 453401671 /nfs/dbraw/zinc/40/16/71/453401671.db2.gz RNNARXSLWUGJFN-LSDHHAIUSA-N 1 3 334.468 1.054 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662694768 453415452 /nfs/dbraw/zinc/41/54/52/453415452.db2.gz CJJNRKRDEHRKTD-PMPSAXMXSA-N 1 3 348.495 1.443 20 0 EDADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)N(CC)CC ZINC000653260796 453442991 /nfs/dbraw/zinc/44/29/91/453442991.db2.gz LGMBAEGIYQZWAR-YLFCFFPRSA-N 1 3 325.497 1.994 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000667176529 453453473 /nfs/dbraw/zinc/45/34/73/453453473.db2.gz UKEIONUKKFAFAT-KBPBESRZSA-N 1 3 334.468 1.850 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(n1)CCC2 ZINC000667205279 453476224 /nfs/dbraw/zinc/47/62/24/453476224.db2.gz SGZUSQRLPFYMBO-AWEZNQCLSA-N 1 3 333.480 1.964 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(n1)CCC2 ZINC000667205279 453476235 /nfs/dbraw/zinc/47/62/35/453476235.db2.gz SGZUSQRLPFYMBO-AWEZNQCLSA-N 1 3 333.480 1.964 20 0 EDADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](N)c2ccccc2OC)C1(C)C ZINC000646602798 453505024 /nfs/dbraw/zinc/50/50/24/453505024.db2.gz CTVHKOUOFXLUCP-DDUZABMNSA-N 1 3 335.448 1.344 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834423 453561352 /nfs/dbraw/zinc/56/13/52/453561352.db2.gz HGYKSKVPMBAAJD-GDBMZVCRSA-N 1 3 332.448 1.888 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659036715 453592500 /nfs/dbraw/zinc/59/25/00/453592500.db2.gz SUNSFMBTDMYKRS-KBRIMQKVSA-N 1 3 332.448 1.952 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659036715 453592504 /nfs/dbraw/zinc/59/25/04/453592504.db2.gz SUNSFMBTDMYKRS-KBRIMQKVSA-N 1 3 332.448 1.952 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CCN1C(C)(C)C ZINC000665355089 453663602 /nfs/dbraw/zinc/66/36/02/453663602.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 1 3 327.517 1.042 20 0 EDADHO c1nc(N[C@@H]2CCN(C3CC3)C2)cc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663425753 453794680 /nfs/dbraw/zinc/79/46/80/453794680.db2.gz SDEHSIVJTJLOGD-ZIAGYGMSSA-N 1 3 328.464 1.774 20 0 EDADHO c1nc(N[C@@H]2CCN(C3CC3)C2)cc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663425753 453794683 /nfs/dbraw/zinc/79/46/83/453794683.db2.gz SDEHSIVJTJLOGD-ZIAGYGMSSA-N 1 3 328.464 1.774 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000663448544 453801274 /nfs/dbraw/zinc/80/12/74/453801274.db2.gz ZWNORNCKMHHQMX-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000663448544 453801276 /nfs/dbraw/zinc/80/12/76/453801276.db2.gz ZWNORNCKMHHQMX-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698983 /nfs/dbraw/zinc/69/89/83/486698983.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698985 /nfs/dbraw/zinc/69/89/85/486698985.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667396433 486760786 /nfs/dbraw/zinc/76/07/86/486760786.db2.gz PGJHSMHALWDDLK-UHFFFAOYSA-N 1 3 331.464 1.702 20 0 EDADHO O=C1CCC[C@@H](CNCc2ccc(OCC[NH+]3CCCC3)cc2)N1 ZINC000683931847 486870712 /nfs/dbraw/zinc/87/07/12/486870712.db2.gz HQVZHHFNOGRRQK-KRWDZBQOSA-N 1 3 331.460 1.920 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000683951899 486880790 /nfs/dbraw/zinc/88/07/90/486880790.db2.gz FXJBRNZDJSRFON-UHFFFAOYSA-N 1 3 347.463 1.163 20 0 EDADHO CCCn1nccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641695 486893506 /nfs/dbraw/zinc/89/35/06/486893506.db2.gz ADAHBFBNQRYNFJ-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667803801 486972217 /nfs/dbraw/zinc/97/22/17/486972217.db2.gz PBQVJPLSOWFKDM-CYBMUJFWSA-N 1 3 331.464 1.921 20 0 EDADHO CN(C)[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000673870382 487140073 /nfs/dbraw/zinc/14/00/73/487140073.db2.gz MUQGTKVJVHSCMC-KRWDZBQOSA-N 1 3 344.463 1.869 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000674329195 487238494 /nfs/dbraw/zinc/23/84/94/487238494.db2.gz SEBZEWJBOINLQS-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000674329195 487238496 /nfs/dbraw/zinc/23/84/96/487238496.db2.gz SEBZEWJBOINLQS-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000674431902 487257151 /nfs/dbraw/zinc/25/71/51/487257151.db2.gz VZGZSLGMTPETEF-KRWDZBQOSA-N 1 3 338.496 1.365 20 0 EDADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000675771425 487442868 /nfs/dbraw/zinc/44/28/68/487442868.db2.gz QTCWIZZSETUMLK-MRXNPFEDSA-N 1 3 347.459 1.385 20 0 EDADHO C[NH+](C)CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000683198908 487459416 /nfs/dbraw/zinc/45/94/16/487459416.db2.gz UQSGOHJCCXFQSR-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CCO1 ZINC000669528899 485504264 /nfs/dbraw/zinc/50/42/64/485504264.db2.gz PUXQFOCXUSZJPO-ONIAQPFYSA-N 1 3 346.475 1.407 20 0 EDADHO CC[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)CC[C@H]1[NH3+] ZINC000669570886 485592269 /nfs/dbraw/zinc/59/22/69/485592269.db2.gz HVRLZPSLAGOGPP-BZUAXINKSA-N 1 3 326.485 1.256 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388794 486024620 /nfs/dbraw/zinc/02/46/20/486024620.db2.gz QLHBNOZVFVVXAR-DLBZAZTESA-N 1 3 340.512 1.376 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420239 486139539 /nfs/dbraw/zinc/13/95/39/486139539.db2.gz FXKMBMGPNPJEMH-ROUUACIJSA-N 1 3 330.476 1.950 20 0 EDADHO CN(CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809922 486219111 /nfs/dbraw/zinc/21/91/11/486219111.db2.gz YBMIRNTZGCDOIV-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826188 486645041 /nfs/dbraw/zinc/64/50/41/486645041.db2.gz NRSYSIKRIWAEPE-XJKSGUPXSA-N 1 3 328.526 1.596 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826188 486645044 /nfs/dbraw/zinc/64/50/44/486645044.db2.gz NRSYSIKRIWAEPE-XJKSGUPXSA-N 1 3 328.526 1.596 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073225588 491007816 /nfs/dbraw/zinc/00/78/16/491007816.db2.gz VVJYMTYHJQYOOB-IAGOWNOFSA-N 1 3 336.524 1.345 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073642720 491009026 /nfs/dbraw/zinc/00/90/26/491009026.db2.gz KNRHIFRZYINVAG-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO NC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)Cc2ccccc2C1 ZINC000169238691 534529542 /nfs/dbraw/zinc/52/95/42/534529542.db2.gz OXXWMAZCHZMDCT-GOSISDBHSA-N 1 3 327.472 1.960 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000125625765 534900502 /nfs/dbraw/zinc/90/05/02/534900502.db2.gz DFKVCFSKKSTLEJ-INIZCTEOSA-N 1 3 334.464 1.513 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119201415 536504060 /nfs/dbraw/zinc/50/40/60/536504060.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000119201415 536504063 /nfs/dbraw/zinc/50/40/63/536504063.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000124864854 535138777 /nfs/dbraw/zinc/13/87/77/535138777.db2.gz AQXSPUUQCFNFEO-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000124864854 535138779 /nfs/dbraw/zinc/13/87/79/535138779.db2.gz AQXSPUUQCFNFEO-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CC[NH2+]CC1CCN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000347180678 535460682 /nfs/dbraw/zinc/46/06/82/535460682.db2.gz VJJLSGDVQHKUON-UHFFFAOYSA-N 1 3 336.480 1.885 20 0 EDADHO C[NH+](C)CCOc1ccc(CCN[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000271661249 535903909 /nfs/dbraw/zinc/90/39/09/535903909.db2.gz DIZYBOJLDOCZLB-INIZCTEOSA-N 1 3 340.489 1.336 20 0 EDADHO CNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248402892 536324010 /nfs/dbraw/zinc/32/40/10/536324010.db2.gz WNBQLTZJEJYQPS-HALDLXJZSA-N 1 3 332.448 1.188 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3Cc4ccccc4O3)CC2)CC1 ZINC000195205848 536339605 /nfs/dbraw/zinc/33/96/05/536339605.db2.gz NOTHMEGBANXSGR-LJQANCHMSA-N 1 3 343.471 1.665 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261899211 536345021 /nfs/dbraw/zinc/34/50/21/536345021.db2.gz WHPIUWXPJHHMKW-PBHICJAKSA-N 1 3 332.448 1.638 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C1 ZINC000347097682 536774960 /nfs/dbraw/zinc/77/49/60/536774960.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C1 ZINC000347097682 536774962 /nfs/dbraw/zinc/77/49/62/536774962.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 1 3 340.512 1.467 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727703374 578537906 /nfs/dbraw/zinc/53/79/06/578537906.db2.gz OWANHQSHRXQYSZ-CABCVRRESA-N 1 3 328.526 1.046 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727703374 578537907 /nfs/dbraw/zinc/53/79/07/578537907.db2.gz OWANHQSHRXQYSZ-CABCVRRESA-N 1 3 328.526 1.046 20 0 EDADHO COC(=O)C1=C(C)O[C@@H](CN(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000778221828 580459110 /nfs/dbraw/zinc/45/91/10/580459110.db2.gz JYHBVGLUMNCVEL-MRXNPFEDSA-N 1 3 339.480 1.180 20 0 EDADHO COC(=O)C1=C(C)O[C@@H](CN(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000778221828 580459111 /nfs/dbraw/zinc/45/91/11/580459111.db2.gz JYHBVGLUMNCVEL-MRXNPFEDSA-N 1 3 339.480 1.180 20 0 EDADHO C[C@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000779335602 580483732 /nfs/dbraw/zinc/48/37/32/580483732.db2.gz FQEUIBOTNXFCGP-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)CCC1 ZINC000782633418 580581322 /nfs/dbraw/zinc/58/13/22/580581322.db2.gz HHTVCCYMWFDWJO-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC3(CNC(=O)O3)CC2)cc1 ZINC000783722163 580604766 /nfs/dbraw/zinc/60/47/66/580604766.db2.gz XKRXABFZWJEFOR-UHFFFAOYSA-N 1 3 333.432 1.701 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(Br)nn1C ZINC000785483649 580645392 /nfs/dbraw/zinc/64/53/92/580645392.db2.gz AEIMFMZMMOSMCU-GFCCVEGCSA-N 1 3 333.274 1.629 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832837 /nfs/dbraw/zinc/83/28/37/580832837.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 1 3 341.496 1.678 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832838 /nfs/dbraw/zinc/83/28/38/580832838.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832839 /nfs/dbraw/zinc/83/28/39/580832839.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832840 /nfs/dbraw/zinc/83/28/40/580832840.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 1 3 341.496 1.678 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832855 /nfs/dbraw/zinc/83/28/55/580832855.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 1 3 341.496 1.678 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832856 /nfs/dbraw/zinc/83/28/56/580832856.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832857 /nfs/dbraw/zinc/83/28/57/580832857.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832858 /nfs/dbraw/zinc/83/28/58/580832858.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 1 3 341.496 1.678 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@@H]2C1 ZINC000793928198 580860736 /nfs/dbraw/zinc/86/07/36/580860736.db2.gz JBAPVIXYRSMIKB-SJORKVTESA-N 1 3 335.492 1.432 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@@H]2C1 ZINC000793928198 580860737 /nfs/dbraw/zinc/86/07/37/580860737.db2.gz JBAPVIXYRSMIKB-SJORKVTESA-N 1 3 335.492 1.432 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799149301 581019225 /nfs/dbraw/zinc/01/92/25/581019225.db2.gz HLAJCLBOKORWTJ-MRXNPFEDSA-N 1 3 330.432 1.425 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000891864102 590661343 /nfs/dbraw/zinc/66/13/43/590661343.db2.gz GIUBXFLSLOIBLZ-UZYDLOFFSA-N 1 3 348.413 1.923 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891865416 590662035 /nfs/dbraw/zinc/66/20/35/590662035.db2.gz OVSPWGBFGFFSRA-CHWSQXEVSA-N 1 3 332.439 1.651 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000891967858 590714262 /nfs/dbraw/zinc/71/42/62/590714262.db2.gz DKHLYJQMXICZAG-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO N[C@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000892030285 590757008 /nfs/dbraw/zinc/75/70/08/590757008.db2.gz GEKUCCUIQMJDDY-FRRDWIJNSA-N 1 3 330.354 1.465 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892055938 590775760 /nfs/dbraw/zinc/77/57/60/590775760.db2.gz NOMFBRFZCROKQN-DOTOQJQBSA-N 1 3 340.512 1.552 20 0 EDADHO COCCC1(NC(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000892119134 590809622 /nfs/dbraw/zinc/80/96/22/590809622.db2.gz MWIQGKXYJVOIEF-QGZVFWFLSA-N 1 3 346.475 1.331 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000892163276 590834138 /nfs/dbraw/zinc/83/41/38/590834138.db2.gz LYXMYCBKRQZUKD-HOTGVXAUSA-N 1 3 331.464 1.834 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170620 590842296 /nfs/dbraw/zinc/84/22/96/590842296.db2.gz VCVBGOLOHBMHHF-ROUUACIJSA-N 1 3 346.475 1.247 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)[NH+]1CCCCC1 ZINC000892204055 590864015 /nfs/dbraw/zinc/86/40/15/590864015.db2.gz HTNFEHLTHFKVJE-ZACQAIPSSA-N 1 3 338.496 1.101 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000892294480 590920071 /nfs/dbraw/zinc/92/00/71/590920071.db2.gz ZAUAVMUYSGTCRL-GOEBONIOSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892391456 591007583 /nfs/dbraw/zinc/00/75/83/591007583.db2.gz CLWHXXMMTWTBJV-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565803 591074787 /nfs/dbraw/zinc/07/47/87/591074787.db2.gz KVDGXSDIYSUVPW-ZHALLVOQSA-N 1 3 346.475 1.002 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892566732 591075139 /nfs/dbraw/zinc/07/51/39/591075139.db2.gz MRSOJXBWOMFTBX-KBAYOESNSA-N 1 3 330.476 1.887 20 0 EDADHO C[C@@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)CN1CCN(C)CC1 ZINC000891604011 591145122 /nfs/dbraw/zinc/14/51/22/591145122.db2.gz VBVGVTLGASCNFT-INIZCTEOSA-N 1 3 339.528 1.173 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835729 591197739 /nfs/dbraw/zinc/19/77/39/591197739.db2.gz DCAHNNUURIQQHZ-INIZCTEOSA-N 1 3 338.496 1.415 20 0 EDADHO CCC1([NH3+])CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 ZINC000891724972 591200455 /nfs/dbraw/zinc/20/04/55/591200455.db2.gz BYMPWZMMKNQCEO-UHFFFAOYSA-N 1 3 349.479 1.435 20 0 EDADHO COC(=O)c1sccc1CN[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000892947255 591235794 /nfs/dbraw/zinc/23/57/94/591235794.db2.gz ASTCHSNIOPEVOU-CQSZACIVSA-N 1 3 337.489 1.793 20 0 EDADHO COC(=O)c1sccc1CN[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000892947255 591235796 /nfs/dbraw/zinc/23/57/96/591235796.db2.gz ASTCHSNIOPEVOU-CQSZACIVSA-N 1 3 337.489 1.793 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895855458 591288563 /nfs/dbraw/zinc/28/85/63/591288563.db2.gz SBNXOGLIWIYZGW-XHSDSOJGSA-N 1 3 337.508 1.580 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895855458 591288564 /nfs/dbraw/zinc/28/85/64/591288564.db2.gz SBNXOGLIWIYZGW-XHSDSOJGSA-N 1 3 337.508 1.580 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c2c(nn1C)CCC2 ZINC000894457074 591316706 /nfs/dbraw/zinc/31/67/06/591316706.db2.gz WVKKUTNWBDHWST-INIZCTEOSA-N 1 3 333.524 1.757 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c2c(nn1C)CCC2 ZINC000894457074 591316709 /nfs/dbraw/zinc/31/67/09/591316709.db2.gz WVKKUTNWBDHWST-INIZCTEOSA-N 1 3 333.524 1.757 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CN(C2CCOCC2)C1 ZINC000896024760 591323820 /nfs/dbraw/zinc/32/38/20/591323820.db2.gz VFBRIBSGSNKIGU-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CN(C2CCOCC2)C1 ZINC000896024760 591323823 /nfs/dbraw/zinc/32/38/23/591323823.db2.gz VFBRIBSGSNKIGU-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000896131684 591355063 /nfs/dbraw/zinc/35/50/63/591355063.db2.gz BVUKDPMFMVLEGR-SFHVURJKSA-N 1 3 335.492 1.574 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000897454078 591459792 /nfs/dbraw/zinc/45/97/92/591459792.db2.gz ACTFOLQVVRSLTB-YJBOKZPZSA-N 1 3 348.491 1.939 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000897454078 591459795 /nfs/dbraw/zinc/45/97/95/591459795.db2.gz ACTFOLQVVRSLTB-YJBOKZPZSA-N 1 3 348.491 1.939 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897460427 591464378 /nfs/dbraw/zinc/46/43/78/591464378.db2.gz HHSGXZBELQQCLV-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897460427 591464381 /nfs/dbraw/zinc/46/43/81/591464381.db2.gz HHSGXZBELQQCLV-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469137 591470635 /nfs/dbraw/zinc/47/06/35/591470635.db2.gz DTWPXHNUCSPXTR-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)C1CN(C2CCOCC2)C1 ZINC000898990856 591627953 /nfs/dbraw/zinc/62/79/53/591627953.db2.gz PGJYCPFOBJSKQP-UHFFFAOYSA-N 1 3 335.492 1.335 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)Cc1ccccc1 ZINC000895458721 591764949 /nfs/dbraw/zinc/76/49/49/591764949.db2.gz RGYZFLLUXPSHOF-LJQANCHMSA-N 1 3 345.487 1.386 20 0 EDADHO COC(=O)C[C@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000898303128 591864819 /nfs/dbraw/zinc/86/48/19/591864819.db2.gz QGFGFACVMKPKJL-SFHVURJKSA-N 1 3 348.487 1.986 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000902349255 591978707 /nfs/dbraw/zinc/97/87/07/591978707.db2.gz YIQHKRRQUCWIGZ-DOTOQJQBSA-N 1 3 327.538 1.562 20 0 EDADHO CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(CN(C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000903112454 592123010 /nfs/dbraw/zinc/12/30/10/592123010.db2.gz NHOLBEMEWVEJTD-UEBWMDNZSA-N 1 3 338.492 1.788 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900826660 592138975 /nfs/dbraw/zinc/13/89/75/592138975.db2.gz MTKFIWCWYNKUCS-INIZCTEOSA-N 1 3 326.529 1.495 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000903495077 592186825 /nfs/dbraw/zinc/18/68/25/592186825.db2.gz UCBNYNYUHOBWML-KSFQGOMNSA-N 1 3 336.354 1.309 20 0 EDADHO [NH3+]Cc1ccc(CN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000904334460 592233281 /nfs/dbraw/zinc/23/32/81/592233281.db2.gz WNTQJFFKSYKQLD-UHFFFAOYSA-N 1 3 326.448 1.220 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@@H](CNCc2ccc(C[NH3+])cc2)C1 ZINC000904367871 592239252 /nfs/dbraw/zinc/23/92/52/592239252.db2.gz FNHQRNYWVDCSDF-INIZCTEOSA-N 1 3 335.448 1.871 20 0 EDADHO CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000906657631 592239292 /nfs/dbraw/zinc/23/92/92/592239292.db2.gz NGFBCLPEJJXKBM-BBRMVZONSA-N 1 3 346.475 1.664 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665247 592246905 /nfs/dbraw/zinc/24/69/05/592246905.db2.gz TUZJVBBXMBDVNB-HNNXBMFYSA-N 1 3 346.475 1.810 20 0 EDADHO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1CN)[NH+]1CCCCC1 ZINC000906660554 592269813 /nfs/dbraw/zinc/26/98/13/592269813.db2.gz KJGLYWDGZMJBNX-AWEZNQCLSA-N 1 3 332.448 1.465 20 0 EDADHO O=C(NC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726533 592285171 /nfs/dbraw/zinc/28/51/71/592285171.db2.gz MQOQKVRWARSWIS-AEFFLSMTSA-N 1 3 349.500 1.711 20 0 EDADHO COc1ccccc1[C@H]1CNCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903747019 592293465 /nfs/dbraw/zinc/29/34/65/592293465.db2.gz NPBHLWWBDOLHRT-SJLPKXTDSA-N 1 3 345.487 1.800 20 0 EDADHO Fc1ccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000903751673 592295460 /nfs/dbraw/zinc/29/54/60/592295460.db2.gz LNWUZOVCHRXJSB-ZDUSSCGKSA-N 1 3 327.831 1.837 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904629412 592299171 /nfs/dbraw/zinc/29/91/71/592299171.db2.gz VNUNFFJKGZJREK-UHFFFAOYSA-N 1 3 333.480 1.683 20 0 EDADHO CC1(C)NC(=O)N(CCN2CCC(C[NH3+])(c3ccccc3)CC2)C1=O ZINC000903794528 592317416 /nfs/dbraw/zinc/31/74/16/592317416.db2.gz YOGOGNSLPTUWFV-UHFFFAOYSA-N 1 3 344.459 1.309 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903898222 592368897 /nfs/dbraw/zinc/36/88/97/592368897.db2.gz MNMRHGXOYYXGEG-IBGZPJMESA-N 1 3 342.487 1.071 20 0 EDADHO COC(=O)[C@H]1CC12CCN(C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903908513 592374208 /nfs/dbraw/zinc/37/42/08/592374208.db2.gz KIHXMYLEBSBISV-GOEBONIOSA-N 1 3 334.464 1.121 20 0 EDADHO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(NC2=NCCC2)cc1 ZINC000908208359 592385180 /nfs/dbraw/zinc/38/51/80/592385180.db2.gz PRIDRJVBRNRJCM-INIZCTEOSA-N 1 3 330.432 1.477 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954366 592395715 /nfs/dbraw/zinc/39/57/15/592395715.db2.gz RSYWYQBNTRHEJM-YDHLFZDLSA-N 1 3 333.398 1.848 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954366 592395721 /nfs/dbraw/zinc/39/57/21/592395721.db2.gz RSYWYQBNTRHEJM-YDHLFZDLSA-N 1 3 333.398 1.848 20 0 EDADHO COC(=O)COc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903956124 592396152 /nfs/dbraw/zinc/39/61/52/592396152.db2.gz HGZQSBVRZIGJHM-CYBMUJFWSA-N 1 3 328.359 1.573 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(OC)cc1OC)C2 ZINC000903978627 592399687 /nfs/dbraw/zinc/39/96/87/592399687.db2.gz ISDSXNODBWISLS-IYOUNJFTSA-N 1 3 334.416 1.416 20 0 EDADHO CN(C)CCOc1ccc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904088295 592423691 /nfs/dbraw/zinc/42/36/91/592423691.db2.gz SQHGAHAQFAXQHQ-OWCLPIDISA-N 1 3 328.416 2.000 20 0 EDADHO C[C@]1(CNC[C@H](O)C[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244004 592474552 /nfs/dbraw/zinc/47/45/52/592474552.db2.gz OEIZNTACRZHBOR-VAMGGRTRSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@H](O)C[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244004 592474557 /nfs/dbraw/zinc/47/45/57/592474557.db2.gz OEIZNTACRZHBOR-VAMGGRTRSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905399970 592521101 /nfs/dbraw/zinc/52/11/01/592521101.db2.gz ORJLWJOZWBALRK-BTHPGYMESA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905399970 592521104 /nfs/dbraw/zinc/52/11/04/592521104.db2.gz ORJLWJOZWBALRK-BTHPGYMESA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905399970 592521108 /nfs/dbraw/zinc/52/11/08/592521108.db2.gz ORJLWJOZWBALRK-BTHPGYMESA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H](CNC(=O)c1cscc1C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000906072416 592737904 /nfs/dbraw/zinc/73/79/04/592737904.db2.gz KCMKPJKEQOMXEI-RYUDHWBXSA-N 1 3 340.493 1.108 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000909206869 592769351 /nfs/dbraw/zinc/76/93/51/592769351.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 1 3 336.524 1.534 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000909206869 592769353 /nfs/dbraw/zinc/76/93/53/592769353.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 1 3 336.524 1.534 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N(C)C ZINC000906645159 592865871 /nfs/dbraw/zinc/86/58/71/592865871.db2.gz RFJKEFSTQWOMSA-MRXNPFEDSA-N 1 3 348.491 1.911 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1CN)C1CCCCC1 ZINC000906645796 592865912 /nfs/dbraw/zinc/86/59/12/592865912.db2.gz NZSRVHMVSMZPSG-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000911216687 592958974 /nfs/dbraw/zinc/95/89/74/592958974.db2.gz UECGUJAMRSNASK-IIAWOOMASA-N 1 3 346.475 1.038 20 0 EDADHO C[C@H](NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000911727624 592989476 /nfs/dbraw/zinc/98/94/76/592989476.db2.gz YHOLKJSZQVZZJY-GMXVVIOVSA-N 1 3 343.393 1.868 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NOC3CC[NH+](C)CC3)cc2)CC1 ZINC000816533083 593530299 /nfs/dbraw/zinc/53/02/99/593530299.db2.gz IJZMEJYMGNBUAN-UHFFFAOYSA-N 1 3 346.475 1.584 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)CC[NH2+]CC1 ZINC000817930586 593649644 /nfs/dbraw/zinc/64/96/44/593649644.db2.gz DJUHJDTZTRLPJW-LXZKKBNFSA-N 1 3 348.443 1.392 20 0 EDADHO O[C@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000818964920 593730678 /nfs/dbraw/zinc/73/06/78/593730678.db2.gz LGGJYOZRKXRBPS-HXUWFJFHSA-N 1 3 331.504 1.945 20 0 EDADHO O[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000818990008 593732753 /nfs/dbraw/zinc/73/27/53/593732753.db2.gz WHEFGFIBDGICRL-HXUWFJFHSA-N 1 3 340.471 1.917 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2cc(F)ccc2F)C1 ZINC000819003271 593733343 /nfs/dbraw/zinc/73/33/43/593733343.db2.gz CYOKSTKPKZNLLF-LRDDRELGSA-N 1 3 341.402 1.175 20 0 EDADHO Cc1cccc(CN2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC000828215821 594366576 /nfs/dbraw/zinc/36/65/76/594366576.db2.gz IJTMWPGWQGVLCZ-GOSISDBHSA-N 1 3 345.487 1.796 20 0 EDADHO O=[S@](CC[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000826868345 594591171 /nfs/dbraw/zinc/59/11/71/594591171.db2.gz RGXAEUZYMZIXLP-JOCHJYFZSA-N 1 3 335.395 1.951 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000831509543 594679770 /nfs/dbraw/zinc/67/97/70/594679770.db2.gz FGEAGNICKMUFHC-SFHVURJKSA-N 1 3 346.475 1.534 20 0 EDADHO CCO[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CN(C)C ZINC000831719784 594695944 /nfs/dbraw/zinc/69/59/44/594695944.db2.gz UTUQDUCRIIBQMO-HZPDHXFCSA-N 1 3 343.537 1.287 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841018906 594840359 /nfs/dbraw/zinc/84/03/59/594840359.db2.gz ZIDVMNLRXYEOAW-KRWDZBQOSA-N 1 3 330.476 1.314 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305012 594883183 /nfs/dbraw/zinc/88/31/83/594883183.db2.gz DSMKDHDGDZTCOX-HUUCEWRRSA-N 1 3 330.432 1.317 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCc2ccc(CC[NH3+])cc2)CCCO1 ZINC000841886354 594973823 /nfs/dbraw/zinc/97/38/23/594973823.db2.gz OIUHDCHYVZYCJP-INIZCTEOSA-N 1 3 348.491 1.488 20 0 EDADHO COc1ccc(CCNC(=O)CN(C)C2CCC([NH3+])CC2)cc1OC ZINC000843353612 595084654 /nfs/dbraw/zinc/08/46/54/595084654.db2.gz FKBLWZWCXBRACB-UHFFFAOYSA-N 1 3 349.475 1.564 20 0 EDADHO CN(CC(=O)NCCOc1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000843354652 595085002 /nfs/dbraw/zinc/08/50/02/595085002.db2.gz AEWGURHMKLJSEN-UHFFFAOYSA-N 1 3 349.431 1.112 20 0 EDADHO CN(CCN(Cc1ccccc1)S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355293 595085699 /nfs/dbraw/zinc/08/56/99/595085699.db2.gz QGKYCRWZUONRIG-UHFFFAOYSA-N 1 3 339.505 1.650 20 0 EDADHO CCN1C[C@H](CN2CCC(CCC[N@H+](C)CCOC)CC2)OC1=O ZINC000846843114 595325225 /nfs/dbraw/zinc/32/52/25/595325225.db2.gz YJUTUTGXPLKFPV-KRWDZBQOSA-N 1 3 341.496 1.898 20 0 EDADHO CCN1C[C@H](CN2CCC(CCC[N@@H+](C)CCOC)CC2)OC1=O ZINC000846843114 595325226 /nfs/dbraw/zinc/32/52/26/595325226.db2.gz YJUTUTGXPLKFPV-KRWDZBQOSA-N 1 3 341.496 1.898 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000846843164 595325312 /nfs/dbraw/zinc/32/53/12/595325312.db2.gz ZVFYSTRAINYOHT-RDTXWAMCSA-N 1 3 329.448 1.681 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000846843164 595325315 /nfs/dbraw/zinc/32/53/15/595325315.db2.gz ZVFYSTRAINYOHT-RDTXWAMCSA-N 1 3 329.448 1.681 20 0 EDADHO Cn1cc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849070719 595477721 /nfs/dbraw/zinc/47/77/21/595477721.db2.gz WPQDTHVPJICQIA-UHFFFAOYSA-N 1 3 340.475 1.741 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])N3CCC3)c2)C1 ZINC000849112120 595483945 /nfs/dbraw/zinc/48/39/45/595483945.db2.gz WCXCLAPRZPBWTE-INIZCTEOSA-N 1 3 329.448 1.114 20 0 EDADHO CC(C)(C)NC(=[NH2+])NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000849117444 595484825 /nfs/dbraw/zinc/48/48/25/595484825.db2.gz FZLYQYDNNDSTRB-UHFFFAOYSA-N 1 3 345.491 1.796 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000849117870 595485021 /nfs/dbraw/zinc/48/50/21/595485021.db2.gz YWFNUMTTZOOXAM-MRXNPFEDSA-N 1 3 346.475 1.259 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NCCN2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486029 595548207 /nfs/dbraw/zinc/54/82/07/595548207.db2.gz DOMKBQWYWKPQQF-ZWKOTPCHSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NCCN2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486029 595548209 /nfs/dbraw/zinc/54/82/09/595548209.db2.gz DOMKBQWYWKPQQF-ZWKOTPCHSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558141 /nfs/dbraw/zinc/55/81/41/595558141.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558143 /nfs/dbraw/zinc/55/81/43/595558143.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 1 3 347.507 1.444 20 0 EDADHO CC[N@H+](CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560757 /nfs/dbraw/zinc/56/07/57/595560757.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 1 3 335.496 1.302 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560759 /nfs/dbraw/zinc/56/07/59/595560759.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 1 3 335.496 1.302 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H](O)c2ccccn2)(N2CCCCC2)CC1 ZINC000853100913 595665011 /nfs/dbraw/zinc/66/50/11/595665011.db2.gz PQXAKLXXGZQKJF-GOSISDBHSA-N 1 3 332.492 1.655 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(F)(F)C1CCOCC1 ZINC000855346938 595681989 /nfs/dbraw/zinc/68/19/89/595681989.db2.gz PDUJYKZJGTVQPA-ZDUSSCGKSA-N 1 3 335.439 1.437 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(F)(F)C1CCOCC1 ZINC000855346938 595681993 /nfs/dbraw/zinc/68/19/93/595681993.db2.gz PDUJYKZJGTVQPA-ZDUSSCGKSA-N 1 3 335.439 1.437 20 0 EDADHO Cc1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000853231667 595713941 /nfs/dbraw/zinc/71/39/41/595713941.db2.gz LEPGCIAIJYCSPL-KBPBESRZSA-N 1 3 343.479 1.477 20 0 EDADHO Cc1nc(N[C@H]2CCN(C3CC3)C2)nc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000853231667 595713944 /nfs/dbraw/zinc/71/39/44/595713944.db2.gz LEPGCIAIJYCSPL-KBPBESRZSA-N 1 3 343.479 1.477 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046820 /nfs/dbraw/zinc/04/68/20/596046820.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 1 3 341.496 1.680 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108305 596046824 /nfs/dbraw/zinc/04/68/24/596046824.db2.gz ZXBXWBSXMUPLNQ-ROUUACIJSA-N 1 3 341.496 1.680 20 0 EDADHO Cc1ccc(C)c(OCCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866708201 596303245 /nfs/dbraw/zinc/30/32/45/596303245.db2.gz LTXLQIAUHQBREF-NUJGCVRESA-N 1 3 345.443 1.549 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000869285964 596473453 /nfs/dbraw/zinc/47/34/53/596473453.db2.gz XIWHYEIERVHOPU-KBPBESRZSA-N 1 3 342.484 1.042 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)C1 ZINC000869285964 596473454 /nfs/dbraw/zinc/47/34/54/596473454.db2.gz XIWHYEIERVHOPU-KBPBESRZSA-N 1 3 342.484 1.042 20 0 EDADHO COCC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000865474866 596585777 /nfs/dbraw/zinc/58/57/77/596585777.db2.gz DAYAXBZKRSHHCM-QLFBSQMISA-N 1 3 329.485 1.989 20 0 EDADHO COCC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000865474866 596585778 /nfs/dbraw/zinc/58/57/78/596585778.db2.gz DAYAXBZKRSHHCM-QLFBSQMISA-N 1 3 329.485 1.989 20 0 EDADHO CO[C@H](CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863546817 596613924 /nfs/dbraw/zinc/61/39/24/596613924.db2.gz HIIPHBRKNAQBFW-FGTMMUONSA-N 1 3 345.443 1.631 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000863642836 596641207 /nfs/dbraw/zinc/64/12/07/596641207.db2.gz YPGQSMMMXGXRQH-FUHWJXTLSA-N 1 3 343.427 1.379 20 0 EDADHO CCN(CC)CCN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863752552 596674003 /nfs/dbraw/zinc/67/40/03/596674003.db2.gz FLPUXEUEVSXLBV-MRXNPFEDSA-N 1 3 348.491 1.163 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2cc(C=O)ccc2F)C[C@H]1C[NH+](C)C ZINC000870016033 596708791 /nfs/dbraw/zinc/70/87/91/596708791.db2.gz AQXTVSYSQGMKJH-HUUCEWRRSA-N 1 3 335.423 1.450 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868190330 596716953 /nfs/dbraw/zinc/71/69/53/596716953.db2.gz JXWZSIXSMVUNOQ-GOSISDBHSA-N 1 3 346.479 1.757 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237663 596739968 /nfs/dbraw/zinc/73/99/68/596739968.db2.gz UVANZFJSKFQUNF-HYVNUMGLSA-N 1 3 344.459 1.430 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000868298805 596774615 /nfs/dbraw/zinc/77/46/15/596774615.db2.gz WNTZQSRVTFFZBV-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N(C)CCCCCC[NH3+] ZINC000872154984 596815680 /nfs/dbraw/zinc/81/56/80/596815680.db2.gz IGUUSKCQBDODCK-HNNXBMFYSA-N 1 3 334.464 1.852 20 0 EDADHO O[C@]1(CNC[C@H]2COC3(CCCC3)O2)CC[N@H+](Cc2ccccc2)C1 ZINC000872206447 596835332 /nfs/dbraw/zinc/83/53/32/596835332.db2.gz ZFSWYRLUQVCJRP-OALUTQOASA-N 1 3 346.471 1.899 20 0 EDADHO O[C@]1(CNC[C@H]2COC3(CCCC3)O2)CC[N@@H+](Cc2ccccc2)C1 ZINC000872206447 596835334 /nfs/dbraw/zinc/83/53/34/596835334.db2.gz ZFSWYRLUQVCJRP-OALUTQOASA-N 1 3 346.471 1.899 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000872281993 596866635 /nfs/dbraw/zinc/86/66/35/596866635.db2.gz YVUMWFAADOSQCZ-NXOAAHMSSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000875714888 596957906 /nfs/dbraw/zinc/95/79/06/596957906.db2.gz XSVDREQLZFRHPW-HOTGVXAUSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C(C)(C)O)C1 ZINC000875714888 596957908 /nfs/dbraw/zinc/95/79/08/596957908.db2.gz XSVDREQLZFRHPW-HOTGVXAUSA-N 1 3 342.528 1.451 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)Cc1ccccc1 ZINC000874432148 597075430 /nfs/dbraw/zinc/07/54/30/597075430.db2.gz HGXSUULDBHHFMO-YQVWRLOYSA-N 1 3 330.476 1.410 20 0 EDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242363 597237426 /nfs/dbraw/zinc/23/74/26/597237426.db2.gz ARDHGQOSCLRVGR-GOSISDBHSA-N 1 3 339.447 1.737 20 0 EDADHO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247665 597239658 /nfs/dbraw/zinc/23/96/58/597239658.db2.gz ROYDTYVSMRLOAU-QGZVFWFLSA-N 1 3 337.431 1.627 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000876723019 597305762 /nfs/dbraw/zinc/30/57/62/597305762.db2.gz KSLMXIURWOHWOP-GOEBONIOSA-N 1 3 333.480 1.578 20 0 EDADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742287 597317552 /nfs/dbraw/zinc/31/75/52/597317552.db2.gz XARRDXQPSCGFSG-LSDHHAIUSA-N 1 3 333.480 1.605 20 0 EDADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742287 597317557 /nfs/dbraw/zinc/31/75/57/597317557.db2.gz XARRDXQPSCGFSG-LSDHHAIUSA-N 1 3 333.480 1.605 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000876755208 597323849 /nfs/dbraw/zinc/32/38/49/597323849.db2.gz SYVFRGDJVGBQSC-CVEARBPZSA-N 1 3 331.464 1.425 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1NCCc2ccccc21 ZINC000876845838 597357262 /nfs/dbraw/zinc/35/72/62/597357262.db2.gz IEHRHINFVWZTQR-HXUWFJFHSA-N 1 3 335.451 1.878 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847424 597357959 /nfs/dbraw/zinc/35/79/59/597357959.db2.gz KOMDJCQYKMNZDS-RTBURBONSA-N 1 3 339.439 1.568 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876850678 597358808 /nfs/dbraw/zinc/35/88/08/597358808.db2.gz ZXURSODPZZQCPI-CZUORRHYSA-N 1 3 343.393 1.803 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000876901779 597378104 /nfs/dbraw/zinc/37/81/04/597378104.db2.gz HBFGTKNAGZYNJB-SZMVWBNQSA-N 1 3 332.492 1.292 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000876901779 597378107 /nfs/dbraw/zinc/37/81/07/597378107.db2.gz HBFGTKNAGZYNJB-SZMVWBNQSA-N 1 3 332.492 1.292 20 0 EDADHO CNC(=O)c1ccc(CN(CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665624 597546063 /nfs/dbraw/zinc/54/60/63/597546063.db2.gz ZEHPUSZCCOGDJW-UHFFFAOYSA-N 1 3 333.476 1.836 20 0 EDADHO CNC(=O)c1ccc(C[N@H+](CCOC)CC2CCN(C)CC2)cc1 ZINC000877665624 597546064 /nfs/dbraw/zinc/54/60/64/597546064.db2.gz ZEHPUSZCCOGDJW-UHFFFAOYSA-N 1 3 333.476 1.836 20 0 EDADHO CNC(=O)c1ccc(C[N@@H+](CCOC)CC2CCN(C)CC2)cc1 ZINC000877665624 597546065 /nfs/dbraw/zinc/54/60/65/597546065.db2.gz ZEHPUSZCCOGDJW-UHFFFAOYSA-N 1 3 333.476 1.836 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1c2c(nn1C)CCSC2 ZINC000883034625 597626390 /nfs/dbraw/zinc/62/63/90/597626390.db2.gz ZXEDMWKEGGWMBY-CYBMUJFWSA-N 1 3 326.510 1.656 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H]3CC4(CO3)CCOCC4)CC2)CC1 ZINC000879595353 597650577 /nfs/dbraw/zinc/65/05/77/597650577.db2.gz ZKNKPIOXVNGLNY-GOSISDBHSA-N 1 3 337.508 1.284 20 0 EDADHO COC(=O)C[C@](C)([NH2+]CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000879441953 597918173 /nfs/dbraw/zinc/91/81/73/597918173.db2.gz JRNVXNMZFBJVPF-SFHVURJKSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000889332799 597942007 /nfs/dbraw/zinc/94/20/07/597942007.db2.gz LDSJQMBTZXATHC-ULQDDVLXSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000889332799 597942009 /nfs/dbraw/zinc/94/20/09/597942009.db2.gz LDSJQMBTZXATHC-ULQDDVLXSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856859 700005449 /nfs/dbraw/zinc/00/54/49/700005449.db2.gz KNTPWILMRKRUGX-NLGTXKQRSA-N 1 3 335.492 1.334 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(CCCO)[C@H]2C)CC1 ZINC000994135155 696529865 /nfs/dbraw/zinc/52/98/65/696529865.db2.gz QGUYETOLTJLNBC-DOTOQJQBSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)ncn1 ZINC000940008530 700110343 /nfs/dbraw/zinc/11/03/43/700110343.db2.gz RBVQIQHPYROOMT-MRXNPFEDSA-N 1 3 331.464 1.350 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136872 699223635 /nfs/dbraw/zinc/22/36/35/699223635.db2.gz CPIVSBITQCPKJT-RDJZCZTQSA-N 1 3 337.508 1.581 20 0 EDADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939214537 699386027 /nfs/dbraw/zinc/38/60/27/699386027.db2.gz LSCCBHVKBGRFST-MAUKXSAKSA-N 1 3 326.444 1.940 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1ccccn1 ZINC000939259423 699437279 /nfs/dbraw/zinc/43/72/79/699437279.db2.gz UOVQKXDROLYYHS-QAPCUYQASA-N 1 3 330.476 1.750 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NCc3cncn3C)C2)CC1 ZINC000939454370 699600974 /nfs/dbraw/zinc/60/09/74/699600974.db2.gz RJAXGFIXRDFHRA-CRAIPNDOSA-N 1 3 347.507 1.477 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939543830 699685080 /nfs/dbraw/zinc/68/50/80/699685080.db2.gz GCRYPTZOFWQEMF-RDJZCZTQSA-N 1 3 328.460 1.422 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810404 699958636 /nfs/dbraw/zinc/95/86/36/699958636.db2.gz MXBOQMCSBIBJRG-QAPCUYQASA-N 1 3 347.507 1.541 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cccnc1 ZINC000939811828 699959701 /nfs/dbraw/zinc/95/97/01/699959701.db2.gz UZBWKHQTNXLIJR-SJLPKXTDSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000940150546 700277526 /nfs/dbraw/zinc/27/75/26/700277526.db2.gz XEOJSKBELIJFGK-UHFFFAOYSA-N 1 3 345.491 1.740 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)C1CC1 ZINC000940149317 700282290 /nfs/dbraw/zinc/28/22/90/700282290.db2.gz JMHPJTIXBUAPEZ-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO Cn1cc(CNC2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000940159105 700291632 /nfs/dbraw/zinc/29/16/32/700291632.db2.gz BZJDGEQXJHQTND-INIZCTEOSA-N 1 3 348.495 1.160 20 0 EDADHO Cn1cc(CNC2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000940159105 700291636 /nfs/dbraw/zinc/29/16/36/700291636.db2.gz BZJDGEQXJHQTND-INIZCTEOSA-N 1 3 348.495 1.160 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940163345 700297946 /nfs/dbraw/zinc/29/79/46/700297946.db2.gz ZOXCHTUNZBTJJK-KRWDZBQOSA-N 1 3 349.523 1.960 20 0 EDADHO Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000940178114 700311858 /nfs/dbraw/zinc/31/18/58/700311858.db2.gz CIRSHYBNTOBLPI-OAHLLOKOSA-N 1 3 334.464 1.938 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327953 700504986 /nfs/dbraw/zinc/50/49/86/700504986.db2.gz ARFJBPRBMIXKPJ-RDJZCZTQSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327953 700504989 /nfs/dbraw/zinc/50/49/89/700504989.db2.gz ARFJBPRBMIXKPJ-RDJZCZTQSA-N 1 3 347.507 1.571 20 0 EDADHO CC1(C)CO[C@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000940353060 700536857 /nfs/dbraw/zinc/53/68/57/700536857.db2.gz HHTUEAXQXNAACE-HNNXBMFYSA-N 1 3 334.464 1.738 20 0 EDADHO Cc1ncoc1CNC[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076005 700641549 /nfs/dbraw/zinc/64/15/49/700641549.db2.gz BTSHGRFCLRGWFX-GDBMZVCRSA-N 1 3 334.464 1.699 20 0 EDADHO Cc1cc(CNC[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079152 700683603 /nfs/dbraw/zinc/68/36/03/700683603.db2.gz MLILJKGHWSBVCI-NVXWUHKLSA-N 1 3 347.507 1.445 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@H](CC)OC)C2)C1 ZINC001031919226 701044430 /nfs/dbraw/zinc/04/44/30/701044430.db2.gz OZXWLAOEDYPHSK-SJORKVTESA-N 1 3 325.497 1.581 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@H](CC)OC)C2)C1 ZINC001031919226 701044431 /nfs/dbraw/zinc/04/44/31/701044431.db2.gz OZXWLAOEDYPHSK-SJORKVTESA-N 1 3 325.497 1.581 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074342 701101557 /nfs/dbraw/zinc/10/15/57/701101557.db2.gz BQSVSRQIONGABI-SJORKVTESA-N 1 3 339.524 1.850 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074342 701101560 /nfs/dbraw/zinc/10/15/60/701101560.db2.gz BQSVSRQIONGABI-SJORKVTESA-N 1 3 339.524 1.850 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941186724 701391345 /nfs/dbraw/zinc/39/13/45/701391345.db2.gz PSLFMWVTEAPMIB-GDBMZVCRSA-N 1 3 334.464 1.514 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)CC1(C)C ZINC000941186724 701391347 /nfs/dbraw/zinc/39/13/47/701391347.db2.gz PSLFMWVTEAPMIB-GDBMZVCRSA-N 1 3 334.464 1.514 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)c1 ZINC000941237567 701428081 /nfs/dbraw/zinc/42/80/81/701428081.db2.gz PCPXLWQVGRETEY-KRWDZBQOSA-N 1 3 333.476 1.571 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)c1 ZINC000941237567 701428082 /nfs/dbraw/zinc/42/80/82/701428082.db2.gz PCPXLWQVGRETEY-KRWDZBQOSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)o1 ZINC000946518532 706604351 /nfs/dbraw/zinc/60/43/51/706604351.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)o1 ZINC000946518532 706604355 /nfs/dbraw/zinc/60/43/55/706604355.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980611 702141724 /nfs/dbraw/zinc/14/17/24/702141724.db2.gz WQTDQHRSUKXGRR-WMLDXEAASA-N 1 3 335.517 1.926 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980611 702141729 /nfs/dbraw/zinc/14/17/29/702141729.db2.gz WQTDQHRSUKXGRR-WMLDXEAASA-N 1 3 335.517 1.926 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995894806 702197842 /nfs/dbraw/zinc/19/78/42/702197842.db2.gz KWWAPQCHDHQZMQ-MRXNPFEDSA-N 1 3 347.507 1.539 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890454 702231673 /nfs/dbraw/zinc/23/16/73/702231673.db2.gz BBSKQVKSEAAGGO-IRXDYDNUSA-N 1 3 330.476 1.748 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995917267 702235164 /nfs/dbraw/zinc/23/51/64/702235164.db2.gz UELFMIREMDUMCD-DOTOQJQBSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917267 702235169 /nfs/dbraw/zinc/23/51/69/702235169.db2.gz UELFMIREMDUMCD-DOTOQJQBSA-N 1 3 347.507 1.621 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC001032186625 702277508 /nfs/dbraw/zinc/27/75/08/702277508.db2.gz ULQAEELINHATIV-GOSISDBHSA-N 1 3 343.471 1.164 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCc3ccc4c(c3)CCO4)C2)C1 ZINC001032186625 702277510 /nfs/dbraw/zinc/27/75/10/702277510.db2.gz ULQAEELINHATIV-GOSISDBHSA-N 1 3 343.471 1.164 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001032185915 702311929 /nfs/dbraw/zinc/31/19/29/702311929.db2.gz FHZGRZYGPDVYFQ-MRXNPFEDSA-N 1 3 335.879 1.882 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCc3ccc(Cl)cc3)C2)C1 ZINC001032185915 702311935 /nfs/dbraw/zinc/31/19/35/702311935.db2.gz FHZGRZYGPDVYFQ-MRXNPFEDSA-N 1 3 335.879 1.882 20 0 EDADHO Cc1cncc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)c1 ZINC000944155765 702449418 /nfs/dbraw/zinc/44/94/18/702449418.db2.gz QANVCRSRBVUOCS-AEFFLSMTSA-N 1 3 342.487 1.812 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCCO2)CC1 ZINC001032665867 706678737 /nfs/dbraw/zinc/67/87/37/706678737.db2.gz JRPRSXFPHFBOOT-GBESFXJTSA-N 1 3 349.519 1.963 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H](NCc3ccns3)C(C)(C)C2)CC1 ZINC000996225140 702634523 /nfs/dbraw/zinc/63/45/23/702634523.db2.gz ZZWVINUQAZMNDO-OAHLLOKOSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300218 702691975 /nfs/dbraw/zinc/69/19/75/702691975.db2.gz KJNCVSLUJWALQV-NVXWUHKLSA-N 1 3 347.507 1.131 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040950924 702708158 /nfs/dbraw/zinc/70/81/58/702708158.db2.gz AZOINUGYHHLNBN-SJORKVTESA-N 1 3 337.508 1.556 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674720 702970008 /nfs/dbraw/zinc/97/00/08/702970008.db2.gz WATMCVPRWKCUCS-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)ncn1 ZINC000996966285 703226299 /nfs/dbraw/zinc/22/62/99/703226299.db2.gz SFKKBWXJZLELFR-QGZVFWFLSA-N 1 3 333.480 1.452 20 0 EDADHO Cc1cncc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996995834 703252736 /nfs/dbraw/zinc/25/27/36/703252736.db2.gz RSBLACXTMBQOHZ-INIZCTEOSA-N 1 3 330.476 1.955 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997009305 703270094 /nfs/dbraw/zinc/27/00/94/703270094.db2.gz ZNJBDHLBKVEHMY-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053107 703402375 /nfs/dbraw/zinc/40/23/75/703402375.db2.gz ORFUKDBAMIAXIU-HNAYVOBHSA-N 1 3 345.487 1.977 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000997359194 703589858 /nfs/dbraw/zinc/58/98/58/703589858.db2.gz GNMZUYJPAZCDQG-ZIAGYGMSSA-N 1 3 334.464 1.936 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606496 703899535 /nfs/dbraw/zinc/89/95/35/703899535.db2.gz LQQDSEFSJBVFPN-KRWDZBQOSA-N 1 3 334.439 1.643 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004201891 703932067 /nfs/dbraw/zinc/93/20/67/703932067.db2.gz SEXFCMYQAOTWFA-HNNXBMFYSA-N 1 3 333.476 1.977 20 0 EDADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032530908 704036527 /nfs/dbraw/zinc/03/65/27/704036527.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 1 3 347.503 1.571 20 0 EDADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032530908 704036531 /nfs/dbraw/zinc/03/65/31/704036531.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 1 3 347.503 1.571 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033099945 704224718 /nfs/dbraw/zinc/22/47/18/704224718.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 1 3 347.507 1.226 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033099945 704224719 /nfs/dbraw/zinc/22/47/19/704224719.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000997831435 704749348 /nfs/dbraw/zinc/74/93/48/704749348.db2.gz RTQOIXGRWCRKEX-RDTXWAMCSA-N 1 3 345.491 1.706 20 0 EDADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2cnn(C)c2)CC1 ZINC000997835851 704753485 /nfs/dbraw/zinc/75/34/85/704753485.db2.gz CFSLHZLWIFFPHK-HNNXBMFYSA-N 1 3 345.491 1.233 20 0 EDADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997866377 704772972 /nfs/dbraw/zinc/77/29/72/704772972.db2.gz SJOBQWZCNWQLFV-KRWDZBQOSA-N 1 3 348.495 1.111 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001032587181 705105372 /nfs/dbraw/zinc/10/53/72/705105372.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCCO2)CC[N@H+]1C ZINC001032587181 705105375 /nfs/dbraw/zinc/10/53/75/705105375.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998265418 705632400 /nfs/dbraw/zinc/63/24/00/705632400.db2.gz MGPQYRFNNOAMNK-ZBFHGGJFSA-N 1 3 331.464 1.318 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998265418 705632402 /nfs/dbraw/zinc/63/24/02/705632402.db2.gz MGPQYRFNNOAMNK-ZBFHGGJFSA-N 1 3 331.464 1.318 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998295218 705696736 /nfs/dbraw/zinc/69/67/36/705696736.db2.gz LNOWPXDSVVQWSM-QWHCGFSZSA-N 1 3 330.354 1.731 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554897 /nfs/dbraw/zinc/55/48/97/706554897.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 1 3 335.492 1.288 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554899 /nfs/dbraw/zinc/55/48/99/706554899.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 1 3 335.492 1.288 20 0 EDADHO CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999347835 706859651 /nfs/dbraw/zinc/85/96/51/706859651.db2.gz LMBUCHNSVPOOBS-AQFXKWCLSA-N 1 3 337.508 1.866 20 0 EDADHO CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cn1 ZINC000999434445 706941557 /nfs/dbraw/zinc/94/15/57/706941557.db2.gz NCUROQSFCQGFIV-ROUUACIJSA-N 1 3 349.523 1.612 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689324 707245263 /nfs/dbraw/zinc/24/52/63/707245263.db2.gz RNEPXCDIVBEHTF-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689324 707245267 /nfs/dbraw/zinc/24/52/67/707245267.db2.gz RNEPXCDIVBEHTF-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999711291 707306358 /nfs/dbraw/zinc/30/63/58/707306358.db2.gz WDQRPKAFLNHGMT-UHFFFAOYSA-N 1 3 348.516 1.935 20 0 EDADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033180086 707337854 /nfs/dbraw/zinc/33/78/54/707337854.db2.gz CXYWEFSROPPHCF-KRWDZBQOSA-N 1 3 349.519 1.964 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870287 707512612 /nfs/dbraw/zinc/51/26/12/707512612.db2.gz DNTLNCVDCLOCBC-QGZVFWFLSA-N 1 3 347.507 1.684 20 0 EDADHO Cn1cc(CN[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999874222 707520071 /nfs/dbraw/zinc/52/00/71/707520071.db2.gz YJSZHIHXGUBSPL-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)C1 ZINC000999975505 707589671 /nfs/dbraw/zinc/58/96/71/707589671.db2.gz UCFYTIKSQQRVJO-IAGOWNOFSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)C1 ZINC000999975505 707589674 /nfs/dbraw/zinc/58/96/74/707589674.db2.gz UCFYTIKSQQRVJO-IAGOWNOFSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354004 707609482 /nfs/dbraw/zinc/60/94/82/707609482.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 1 3 347.507 1.538 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354004 707609485 /nfs/dbraw/zinc/60/94/85/707609485.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 1 3 347.507 1.538 20 0 EDADHO CO[C@H](CN1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001032733898 707748360 /nfs/dbraw/zinc/74/83/60/707748360.db2.gz LZYGUFRNXHQYEK-OKZBNKHCSA-N 1 3 347.503 1.573 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H](NCc3ccccn3)C2)CC1 ZINC001000571440 708052646 /nfs/dbraw/zinc/05/26/46/708052646.db2.gz JCGDDMYUPLTHCS-KRWDZBQOSA-N 1 3 346.475 1.273 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001001419233 708145902 /nfs/dbraw/zinc/14/59/02/708145902.db2.gz RDEKXTBVHOGDFR-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccccn3)CC2)CC[N@H+]1C ZINC001001419233 708145903 /nfs/dbraw/zinc/14/59/03/708145903.db2.gz RDEKXTBVHOGDFR-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001033576099 708251349 /nfs/dbraw/zinc/25/13/49/708251349.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 1 3 325.497 1.556 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001033576099 708251352 /nfs/dbraw/zinc/25/13/52/708251352.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 1 3 325.497 1.556 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001001832998 708358386 /nfs/dbraw/zinc/35/83/86/708358386.db2.gz JJEQATDOUAFPBC-CRAIPNDOSA-N 1 3 330.476 1.608 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001001832998 708358392 /nfs/dbraw/zinc/35/83/92/708358392.db2.gz JJEQATDOUAFPBC-CRAIPNDOSA-N 1 3 330.476 1.608 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043280 708533682 /nfs/dbraw/zinc/53/36/82/708533682.db2.gz MZSTXQHQRCLTLD-UHFFFAOYSA-N 1 3 342.487 1.814 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039400 709272396 /nfs/dbraw/zinc/27/23/96/709272396.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 1 3 347.507 1.374 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039400 709272398 /nfs/dbraw/zinc/27/23/98/709272398.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 1 3 347.507 1.374 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001002859223 709466988 /nfs/dbraw/zinc/46/69/88/709466988.db2.gz LHOKBNLEUSXYDV-ZWKOTPCHSA-N 1 3 347.507 1.274 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001002859223 709466989 /nfs/dbraw/zinc/46/69/89/709466989.db2.gz LHOKBNLEUSXYDV-ZWKOTPCHSA-N 1 3 347.507 1.274 20 0 EDADHO O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321552 709771846 /nfs/dbraw/zinc/77/18/46/709771846.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321552 709771848 /nfs/dbraw/zinc/77/18/48/709771848.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 1 3 347.503 1.620 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001003147622 710046587 /nfs/dbraw/zinc/04/65/87/710046587.db2.gz WWATZSPNCBHJLG-ZWKOTPCHSA-N 1 3 345.491 1.481 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001003147622 710046591 /nfs/dbraw/zinc/04/65/91/710046591.db2.gz WWATZSPNCBHJLG-ZWKOTPCHSA-N 1 3 345.491 1.481 20 0 EDADHO CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333190 710257495 /nfs/dbraw/zinc/25/74/95/710257495.db2.gz PMTFFDCDNWHNBJ-KGXSXCIVSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642535 710318208 /nfs/dbraw/zinc/31/82/08/710318208.db2.gz GUGMYYDMLATIPM-BQFCYCMXSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626100 710455118 /nfs/dbraw/zinc/45/51/18/710455118.db2.gz MAIRWRHORATGDL-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CO[C@@H](C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631803 710460645 /nfs/dbraw/zinc/46/06/45/710460645.db2.gz VHAGWASZNBMMFC-YJBOKZPZSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC001034734041 710915389 /nfs/dbraw/zinc/91/53/89/710915389.db2.gz HVGDTBUDDJUHCK-ZTFGCOKTSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)o1 ZINC001034734971 710918370 /nfs/dbraw/zinc/91/83/70/710918370.db2.gz CTZZOCWNYVFPLZ-BPUTZDHNSA-N 1 3 334.464 1.984 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnc(Cl)c1 ZINC001034881594 711281868 /nfs/dbraw/zinc/28/18/68/711281868.db2.gz KXODZCMRPPPANS-HUUCEWRRSA-N 1 3 336.867 1.910 20 0 EDADHO CN(C)c1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001034881740 711282635 /nfs/dbraw/zinc/28/26/35/711282635.db2.gz NMFLXVKUOMBKHB-MOPGFXCFSA-N 1 3 344.503 1.927 20 0 EDADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936559 711352305 /nfs/dbraw/zinc/35/23/05/711352305.db2.gz RHINBEGYXVBYNM-WBVHZDCISA-N 1 3 348.495 1.251 20 0 EDADHO CCn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936559 711352307 /nfs/dbraw/zinc/35/23/07/711352307.db2.gz RHINBEGYXVBYNM-WBVHZDCISA-N 1 3 348.495 1.251 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001034955561 711423485 /nfs/dbraw/zinc/42/34/85/711423485.db2.gz KEBYARHFHLNZBZ-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001034955561 711423489 /nfs/dbraw/zinc/42/34/89/711423489.db2.gz KEBYARHFHLNZBZ-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395321 711451022 /nfs/dbraw/zinc/45/10/22/711451022.db2.gz VDBMNTDMTOIUHX-MKXGPGLRSA-N 1 3 334.508 1.942 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395321 711451025 /nfs/dbraw/zinc/45/10/25/711451025.db2.gz VDBMNTDMTOIUHX-MKXGPGLRSA-N 1 3 334.508 1.942 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392736 711458211 /nfs/dbraw/zinc/45/82/11/711458211.db2.gz GVJPFPJUUBRXCX-VXIBKDFQSA-N 1 3 349.523 1.446 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392736 711458213 /nfs/dbraw/zinc/45/82/13/711458213.db2.gz GVJPFPJUUBRXCX-VXIBKDFQSA-N 1 3 349.523 1.446 20 0 EDADHO CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621462 711908138 /nfs/dbraw/zinc/90/81/38/711908138.db2.gz ZENUAKDWKBWNGQ-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621462 711908140 /nfs/dbraw/zinc/90/81/40/711908140.db2.gz ZENUAKDWKBWNGQ-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCCN3Cc3ccon3)CC2)C1 ZINC001004618523 712079085 /nfs/dbraw/zinc/07/90/85/712079085.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 1 3 346.475 1.829 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCCN3Cc3ccon3)CC2)C1 ZINC001004618523 712079087 /nfs/dbraw/zinc/07/90/87/712079087.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 1 3 346.475 1.829 20 0 EDADHO CN(C)C[C@H]1CC[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174569 282135911 /nfs/dbraw/zinc/13/59/11/282135911.db2.gz XHXGZYNRFBJAHG-RHSMWYFYSA-N 1 3 329.485 1.488 20 0 EDADHO CN(C)C[C@H]1CC[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174569 282135912 /nfs/dbraw/zinc/13/59/12/282135912.db2.gz XHXGZYNRFBJAHG-RHSMWYFYSA-N 1 3 329.485 1.488 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605553 282170704 /nfs/dbraw/zinc/17/07/04/282170704.db2.gz BPISKADGBNVFES-KVZIAJEVSA-N 1 3 347.503 1.888 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605553 282170705 /nfs/dbraw/zinc/17/07/05/282170705.db2.gz BPISKADGBNVFES-KVZIAJEVSA-N 1 3 347.503 1.888 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@H]1CC(N)=O)c1ccccc1 ZINC000354855220 282238073 /nfs/dbraw/zinc/23/80/73/282238073.db2.gz LSEJJMAAUPRLII-DLBZAZTESA-N 1 3 346.475 1.135 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000348110985 539341972 /nfs/dbraw/zinc/34/19/72/539341972.db2.gz OQYDGBOGOGNKJZ-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)nc1 ZINC000560080061 306260723 /nfs/dbraw/zinc/26/07/23/306260723.db2.gz INZRGPGDSPEJNH-UHFFFAOYSA-N 1 3 328.407 1.759 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000154336775 539625144 /nfs/dbraw/zinc/62/51/44/539625144.db2.gz WFUFMOMXNVDJSZ-MRXNPFEDSA-N 1 3 343.479 1.341 20 0 EDADHO CCCN(C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417759235 283004302 /nfs/dbraw/zinc/00/43/02/283004302.db2.gz WBPXORNFHOCVAI-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)C1 ZINC000563331657 306327743 /nfs/dbraw/zinc/32/77/43/306327743.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 1 3 346.475 1.015 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)C1 ZINC000563331657 306327744 /nfs/dbraw/zinc/32/77/44/306327744.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 1 3 346.475 1.015 20 0 EDADHO C[NH+](C)CCN1CCC(NCCS(=O)(=O)c2ccccc2)CC1 ZINC000563529786 306337349 /nfs/dbraw/zinc/33/73/49/306337349.db2.gz GDZTUWXCMNAHBY-UHFFFAOYSA-N 1 3 339.505 1.076 20 0 EDADHO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564832125 306365913 /nfs/dbraw/zinc/36/59/13/306365913.db2.gz FKQBAGDINGHSGS-UAGQMJEPSA-N 1 3 329.444 1.634 20 0 EDADHO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564832124 306365980 /nfs/dbraw/zinc/36/59/80/306365980.db2.gz FKQBAGDINGHSGS-BHYGNILZSA-N 1 3 329.444 1.634 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COC1CNC1 ZINC000565037337 306373785 /nfs/dbraw/zinc/37/37/85/306373785.db2.gz MMORTLQCKNOVOB-UHFFFAOYSA-N 1 3 332.448 1.135 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000565152258 306376175 /nfs/dbraw/zinc/37/61/75/306376175.db2.gz ZGOKIFZBCRFABF-HOTGVXAUSA-N 1 3 333.476 1.807 20 0 EDADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414699190 304129460 /nfs/dbraw/zinc/12/94/60/304129460.db2.gz JMWATJGVORHINR-JOCBIADPSA-N 1 3 337.508 1.709 20 0 EDADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414699190 304129461 /nfs/dbraw/zinc/12/94/61/304129461.db2.gz JMWATJGVORHINR-JOCBIADPSA-N 1 3 337.508 1.709 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000414723612 304133037 /nfs/dbraw/zinc/13/30/37/304133037.db2.gz PZGXZQRXWFQXER-UHFFFAOYSA-N 1 3 344.459 1.431 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000414999043 304149560 /nfs/dbraw/zinc/14/95/60/304149560.db2.gz UYBBOXBFCKVDJO-UHFFFAOYSA-N 1 3 346.475 1.581 20 0 EDADHO COC(=O)CNC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110143 203339066 /nfs/dbraw/zinc/33/90/66/203339066.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 1 3 347.459 1.120 20 0 EDADHO COC(=O)CNC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110143 203339070 /nfs/dbraw/zinc/33/90/70/203339070.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 1 3 347.459 1.120 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415075395 304157676 /nfs/dbraw/zinc/15/76/76/304157676.db2.gz FALATFIRJBLEHQ-CQSZACIVSA-N 1 3 334.464 1.691 20 0 EDADHO COc1ccc(OC)c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415139899 304163361 /nfs/dbraw/zinc/16/33/61/304163361.db2.gz XNWWOQUHEPPJMW-SJORKVTESA-N 1 3 332.444 1.904 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000236613598 139026963 /nfs/dbraw/zinc/02/69/63/139026963.db2.gz JUOJQNMPTKPDBE-SFHVURJKSA-N 1 3 330.476 1.684 20 0 EDADHO CN(C)CCn1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000237009726 139037966 /nfs/dbraw/zinc/03/79/66/139037966.db2.gz UIOKLVHJKUDKLS-UHFFFAOYSA-N 1 3 341.459 1.705 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604618 139055352 /nfs/dbraw/zinc/05/53/52/139055352.db2.gz GIEQSCLPEKMWRW-JTDSTZFVSA-N 1 3 337.508 1.724 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916841 139126872 /nfs/dbraw/zinc/12/68/72/139126872.db2.gz QLOJQPPXFWMPRD-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916841 139126873 /nfs/dbraw/zinc/12/68/73/139126873.db2.gz QLOJQPPXFWMPRD-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]([NH3+])CCC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248881325 139179023 /nfs/dbraw/zinc/17/90/23/139179023.db2.gz SIEYXJBPICCVLM-JYJNAYRXSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@@H](NC(=O)C1(N)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544003 139208727 /nfs/dbraw/zinc/20/87/27/139208727.db2.gz DLGPPGRXLXABNL-WBVHZDCISA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H](NC(=O)C1(N)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544003 139208728 /nfs/dbraw/zinc/20/87/28/139208728.db2.gz DLGPPGRXLXABNL-WBVHZDCISA-N 1 3 331.460 1.521 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCOCC1 ZINC000261698971 139218607 /nfs/dbraw/zinc/21/86/07/139218607.db2.gz IADOYURCKITIFW-GOEBONIOSA-N 1 3 337.489 1.755 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000261844911 139230925 /nfs/dbraw/zinc/23/09/25/139230925.db2.gz UTVKHZIREKTQSD-GOSISDBHSA-N 1 3 348.466 1.373 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991151 139242258 /nfs/dbraw/zinc/24/22/58/139242258.db2.gz SHZBYGNVQGNWCO-GFCCVEGCSA-N 1 3 333.461 1.425 20 0 EDADHO O=C(CN1CCN(CC2CC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000262006448 139243343 /nfs/dbraw/zinc/24/33/43/139243343.db2.gz URFFVIJOGSDKGG-UHFFFAOYSA-N 1 3 334.439 1.381 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415944528 251036759 /nfs/dbraw/zinc/03/67/59/251036759.db2.gz AEFIPZQXABOWOZ-UHFFFAOYSA-N 1 3 333.480 1.683 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000415978819 251043379 /nfs/dbraw/zinc/04/33/79/251043379.db2.gz VPSIYLBQKWFCPG-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000415978819 251043383 /nfs/dbraw/zinc/04/33/83/251043383.db2.gz VPSIYLBQKWFCPG-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000416997466 251123810 /nfs/dbraw/zinc/12/38/10/251123810.db2.gz AGSDCMMBKXLAMU-ROUUACIJSA-N 1 3 348.491 1.227 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024769 251137998 /nfs/dbraw/zinc/13/79/98/251137998.db2.gz MPIXDIISIMHBOF-HOTGVXAUSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024769 251138002 /nfs/dbraw/zinc/13/80/02/251138002.db2.gz MPIXDIISIMHBOF-HOTGVXAUSA-N 1 3 330.476 1.827 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417499039 251180945 /nfs/dbraw/zinc/18/09/45/251180945.db2.gz DNHBVXLYLMRIBX-SJORKVTESA-N 1 3 334.464 1.439 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417550612 251186539 /nfs/dbraw/zinc/18/65/39/251186539.db2.gz WCFYYZIIAWFZFF-GJZGRUSLSA-N 1 3 340.512 1.502 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000417742650 251252272 /nfs/dbraw/zinc/25/22/72/251252272.db2.gz WHXUDADDBCHMCR-ZWKOTPCHSA-N 1 3 342.487 1.337 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)Cc2ccccc2C1 ZINC000417745290 251252712 /nfs/dbraw/zinc/25/27/12/251252712.db2.gz ZUXVLASXASGVJU-ZWKOTPCHSA-N 1 3 342.487 1.479 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825766 251286994 /nfs/dbraw/zinc/28/69/94/251286994.db2.gz NMCWUKIECBIEQT-JLSDUUJJSA-N 1 3 330.476 1.934 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417841127 251293760 /nfs/dbraw/zinc/29/37/60/251293760.db2.gz SMQPYPXOMHJVGD-YOEHRIQHSA-N 1 3 341.459 1.869 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417800046 251274301 /nfs/dbraw/zinc/27/43/01/251274301.db2.gz BVIAFACVPPTHES-KRWDZBQOSA-N 1 3 342.528 1.891 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000418445955 251371775 /nfs/dbraw/zinc/37/17/75/251371775.db2.gz YQSUSEDETLUAPV-UHFFFAOYSA-N 1 3 326.485 1.258 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148200 251344257 /nfs/dbraw/zinc/34/42/57/251344257.db2.gz REGIFVNRGOZTPI-FUHWJXTLSA-N 1 3 330.476 1.806 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC(C)(C)CCC[NH3+] ZINC000418198530 251354989 /nfs/dbraw/zinc/35/49/89/251354989.db2.gz VOIFTAHDRJAKQB-UHFFFAOYSA-N 1 3 337.468 1.339 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415592419 304234567 /nfs/dbraw/zinc/23/45/67/304234567.db2.gz CDQOYEINRNUJSF-CQSZACIVSA-N 1 3 346.475 1.853 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415592419 304234569 /nfs/dbraw/zinc/23/45/69/304234569.db2.gz CDQOYEINRNUJSF-CQSZACIVSA-N 1 3 346.475 1.853 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cn3c(n2)CCCC3)CC[NH2+]CC1 ZINC000422903998 252017891 /nfs/dbraw/zinc/01/78/91/252017891.db2.gz GHQQLDPDLUWUCF-CQSZACIVSA-N 1 3 334.464 1.630 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773557 252069701 /nfs/dbraw/zinc/06/97/01/252069701.db2.gz JPNQHOYYKCOEEP-ILZDJORESA-N 1 3 345.487 1.639 20 0 EDADHO CC(C)N1CCC(N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130291 252134628 /nfs/dbraw/zinc/13/46/28/252134628.db2.gz HIMAIVKUMPDIBX-OAHLLOKOSA-N 1 3 334.468 1.147 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN[C@@H]2CCO[C@H]2c2cnn(C)c2)cc1 ZINC000424291291 252191282 /nfs/dbraw/zinc/19/12/82/252191282.db2.gz NJSHVCAAQJLHIL-QGTPRVQTSA-N 1 3 330.432 1.591 20 0 EDADHO COc1ccc([C@@H](CN)C[NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)cc1 ZINC000424291291 252191287 /nfs/dbraw/zinc/19/12/87/252191287.db2.gz NJSHVCAAQJLHIL-QGTPRVQTSA-N 1 3 330.432 1.591 20 0 EDADHO C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313552 252195396 /nfs/dbraw/zinc/19/53/96/252195396.db2.gz JIAAVUOLWIGQLL-BBRMVZONSA-N 1 3 333.432 1.425 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000424471158 252242845 /nfs/dbraw/zinc/24/28/45/252242845.db2.gz SJTARLNUIMBBDJ-UHFFFAOYSA-N 1 3 346.475 1.630 20 0 EDADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000424430767 252226969 /nfs/dbraw/zinc/22/69/69/252226969.db2.gz DBRSXOMETIRXKF-QGZVFWFLSA-N 1 3 334.464 1.812 20 0 EDADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000424430767 252226974 /nfs/dbraw/zinc/22/69/74/252226974.db2.gz DBRSXOMETIRXKF-QGZVFWFLSA-N 1 3 334.464 1.812 20 0 EDADHO CCC[NH2+]CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482436 252249945 /nfs/dbraw/zinc/24/99/45/252249945.db2.gz UJKHKDLEYXBNRG-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000349913231 285033520 /nfs/dbraw/zinc/03/35/20/285033520.db2.gz IEYMBNFBFHQOSP-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CNC1 ZINC000415742447 304263363 /nfs/dbraw/zinc/26/33/63/304263363.db2.gz LEFSPDJLGVWRFE-UHFFFAOYSA-N 1 3 344.459 1.084 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994222 285202512 /nfs/dbraw/zinc/20/25/12/285202512.db2.gz LHOXBVBHBBXMPZ-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000487146935 255026909 /nfs/dbraw/zinc/02/69/09/255026909.db2.gz IPUCAHIDPRMGNP-SJORKVTESA-N 1 3 336.524 1.060 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000487146935 255026911 /nfs/dbraw/zinc/02/69/11/255026911.db2.gz IPUCAHIDPRMGNP-SJORKVTESA-N 1 3 336.524 1.060 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827211 255036787 /nfs/dbraw/zinc/03/67/87/255036787.db2.gz ZAHZWMGOOYPBRT-OVWQWFNUSA-N 1 3 334.508 1.842 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827211 255036788 /nfs/dbraw/zinc/03/67/88/255036788.db2.gz ZAHZWMGOOYPBRT-OVWQWFNUSA-N 1 3 334.508 1.842 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492262725 255166089 /nfs/dbraw/zinc/16/60/89/255166089.db2.gz QHYHNLHLBKDZJS-VURMDHGXSA-N 1 3 325.497 1.701 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492262725 255166090 /nfs/dbraw/zinc/16/60/90/255166090.db2.gz QHYHNLHLBKDZJS-VURMDHGXSA-N 1 3 325.497 1.701 20 0 EDADHO CN(C)[C@@]1(CNC(=O)Nc2ccc(OCC[NH3+])cc2)CCSC1 ZINC000415933206 304286313 /nfs/dbraw/zinc/28/63/13/304286313.db2.gz FSSHNZOLQYNABZ-MRXNPFEDSA-N 1 3 338.477 1.583 20 0 EDADHO COC[C@](C)(O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000571498160 306567113 /nfs/dbraw/zinc/56/71/13/306567113.db2.gz LFIVVVWGAGPFDD-FUHWJXTLSA-N 1 3 334.460 1.962 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@@H]2[C@H](C)O)CC1 ZINC000331277657 141002382 /nfs/dbraw/zinc/00/23/82/141002382.db2.gz GHTMAPQLRTXKTQ-HLLBOEOZSA-N 1 3 325.497 1.457 20 0 EDADHO COC(=O)c1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)n(C)c1C ZINC000331643434 141061110 /nfs/dbraw/zinc/06/11/10/141061110.db2.gz JPXCKOOVECXCAS-QZTJIDSGSA-N 1 3 349.475 1.588 20 0 EDADHO Cn1nnc2cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc21 ZINC000333180537 141276768 /nfs/dbraw/zinc/27/67/68/141276768.db2.gz RULKLTNOBFEXMA-YJBOKZPZSA-N 1 3 329.448 1.687 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000333183639 141277373 /nfs/dbraw/zinc/27/73/73/141277373.db2.gz SLHHEZLBQXNXIB-RHSMWYFYSA-N 1 3 331.460 1.741 20 0 EDADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)C2)CC1 ZINC000333441744 141317429 /nfs/dbraw/zinc/31/74/29/141317429.db2.gz WFLBGMHWCULLAJ-GJZGRUSLSA-N 1 3 331.464 1.610 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333579729 141340192 /nfs/dbraw/zinc/34/01/92/141340192.db2.gz NOWGVSUEMQNYHW-WBVHZDCISA-N 1 3 329.448 1.301 20 0 EDADHO FC(F)(F)[C@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641890 141349239 /nfs/dbraw/zinc/34/92/39/141349239.db2.gz XKFQHDLGNSVDJV-WDEREUQCSA-N 1 3 333.358 1.471 20 0 EDADHO CN(CC1CCCC1O)C(=O)C(=O)NCC(c1ccccc1)[NH+](C)C ZINC000339608477 142091733 /nfs/dbraw/zinc/09/17/33/142091733.db2.gz MYAULIDFVQZYLS-BBWFWOEESA-N 1 3 347.459 1.025 20 0 EDADHO C[C@H](Cn1cccn1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000345183425 143062064 /nfs/dbraw/zinc/06/20/64/143062064.db2.gz KDVVZLYWBMKOEY-AEFFLSMTSA-N 1 3 343.475 1.150 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714701 143124753 /nfs/dbraw/zinc/12/47/53/143124753.db2.gz BNKBQNMDOCZNRB-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273975 /nfs/dbraw/zinc/27/39/75/143273975.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273976 /nfs/dbraw/zinc/27/39/76/143273976.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347043106 143275582 /nfs/dbraw/zinc/27/55/82/143275582.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347043106 143275583 /nfs/dbraw/zinc/27/55/83/143275583.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000347183432 143292245 /nfs/dbraw/zinc/29/22/45/143292245.db2.gz XAJDEZKIQUFXSH-OAHLLOKOSA-N 1 3 333.432 1.135 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000416843206 304351025 /nfs/dbraw/zinc/35/10/25/304351025.db2.gz OHLDJAFIXYJHRI-ROUUACIJSA-N 1 3 348.491 1.611 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCO1 ZINC000416844785 304351276 /nfs/dbraw/zinc/35/12/76/304351276.db2.gz QMCJQBBJLSGSET-KBPBESRZSA-N 1 3 338.477 1.254 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199938 286068600 /nfs/dbraw/zinc/06/86/00/286068600.db2.gz MQRYFRUHABHNSJ-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000352793309 149167455 /nfs/dbraw/zinc/16/74/55/149167455.db2.gz MJMHWVALPCXETN-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417040302 304364763 /nfs/dbraw/zinc/36/47/63/304364763.db2.gz KKGBYBNPMKJQRV-UONOGXRCSA-N 1 3 332.439 1.795 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417040302 304364764 /nfs/dbraw/zinc/36/47/64/304364764.db2.gz KKGBYBNPMKJQRV-UONOGXRCSA-N 1 3 332.439 1.795 20 0 EDADHO COCC1(CNC(=O)[C@H](C(C)C)N2CCCCC2)CC[NH2+]CC1 ZINC000262078391 292244665 /nfs/dbraw/zinc/24/46/65/292244665.db2.gz SVWOMIDBYQWSOM-INIZCTEOSA-N 1 3 325.497 1.629 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NCC1(N2CCSCC2)CCCC1 ZINC000417114347 304373486 /nfs/dbraw/zinc/37/34/86/304373486.db2.gz ODJOTDSVPWHXHV-UHFFFAOYSA-N 1 3 340.537 1.789 20 0 EDADHO COc1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000360572833 152103846 /nfs/dbraw/zinc/10/38/46/152103846.db2.gz MPVFCOBCPCFYPV-ZIAGYGMSSA-N 1 3 334.420 1.503 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360742805 152181070 /nfs/dbraw/zinc/18/10/70/152181070.db2.gz AUSNUIATXKAVIJ-HOCLYGCPSA-N 1 3 328.526 1.549 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000417151628 304378406 /nfs/dbraw/zinc/37/84/06/304378406.db2.gz LRGDOOZPJSKBCA-UHFFFAOYSA-N 1 3 345.491 1.107 20 0 EDADHO CCCN(C(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@H]1CC[NH2+]C1 ZINC000417178418 304381008 /nfs/dbraw/zinc/38/10/08/304381008.db2.gz DPFHQENSUZTUEZ-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CC1(CNC(=O)C2CCN(Cc3cccnc3)CC2)CC[NH2+]CC1 ZINC000363653071 153023429 /nfs/dbraw/zinc/02/34/29/153023429.db2.gz SOMXINSQIPJSGC-UHFFFAOYSA-N 1 3 330.476 1.800 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N(C)C ZINC000364548006 153266310 /nfs/dbraw/zinc/26/63/10/153266310.db2.gz SRBLGAGGULNKLN-YYIAUSFCSA-N 1 3 325.497 1.578 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)N(C)C ZINC000364548006 153266312 /nfs/dbraw/zinc/26/63/12/153266312.db2.gz SRBLGAGGULNKLN-YYIAUSFCSA-N 1 3 325.497 1.578 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000417196836 304383577 /nfs/dbraw/zinc/38/35/77/304383577.db2.gz PPOYSEQTPYPTDY-GOSISDBHSA-N 1 3 344.503 1.944 20 0 EDADHO CC1CCN([C@H](CNC(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000417216249 304385131 /nfs/dbraw/zinc/38/51/31/304385131.db2.gz OUYYPQZNXKXNDD-GOSISDBHSA-N 1 3 348.491 1.422 20 0 EDADHO Cc1nccn1CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369393645 155011996 /nfs/dbraw/zinc/01/19/96/155011996.db2.gz NPROQEJPACCASQ-INIZCTEOSA-N 1 3 348.495 1.049 20 0 EDADHO Cc1nccn1CCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369393645 155012001 /nfs/dbraw/zinc/01/20/01/155012001.db2.gz NPROQEJPACCASQ-INIZCTEOSA-N 1 3 348.495 1.049 20 0 EDADHO Cc1nccn1CCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369393645 155012005 /nfs/dbraw/zinc/01/20/05/155012005.db2.gz NPROQEJPACCASQ-INIZCTEOSA-N 1 3 348.495 1.049 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000417506318 304401382 /nfs/dbraw/zinc/40/13/82/304401382.db2.gz LSCQQAQPYDFLFQ-QGZVFWFLSA-N 1 3 346.475 1.195 20 0 EDADHO N[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603406 157342201 /nfs/dbraw/zinc/34/22/01/157342201.db2.gz MSJCAJKNKYJKGV-MOPGFXCFSA-N 1 3 345.487 1.564 20 0 EDADHO N[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603406 157342204 /nfs/dbraw/zinc/34/22/04/157342204.db2.gz MSJCAJKNKYJKGV-MOPGFXCFSA-N 1 3 345.487 1.564 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000354437747 292474489 /nfs/dbraw/zinc/47/44/89/292474489.db2.gz ANOUMTRLKBLSBO-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262718285 287013798 /nfs/dbraw/zinc/01/37/98/287013798.db2.gz HFSDNXPFFUOZAD-CVEARBPZSA-N 1 3 333.480 1.802 20 0 EDADHO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H](c1ccccc1)N(C)C ZINC000418192066 304463305 /nfs/dbraw/zinc/46/33/05/304463305.db2.gz YFHNXTYSVWDAPL-YUTCNCBUSA-N 1 3 328.407 1.960 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536530 287261014 /nfs/dbraw/zinc/26/10/14/287261014.db2.gz CEVBQHGCXZMMCQ-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000111735488 287338500 /nfs/dbraw/zinc/33/85/00/287338500.db2.gz RRPPIFQEHCDOKC-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000111735488 287338502 /nfs/dbraw/zinc/33/85/02/287338502.db2.gz RRPPIFQEHCDOKC-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@@H](O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760643 452329866 /nfs/dbraw/zinc/32/98/66/452329866.db2.gz MBUADKMPADTIAT-XHSDSOJGSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@H](O)C[C@@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760643 452329876 /nfs/dbraw/zinc/32/98/76/452329876.db2.gz MBUADKMPADTIAT-XHSDSOJGSA-N 1 3 328.501 1.203 20 0 EDADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC[C@@H]1C ZINC000665761517 452334262 /nfs/dbraw/zinc/33/42/62/452334262.db2.gz GSHZEQPLELXLFE-JYJNAYRXSA-N 1 3 328.501 1.325 20 0 EDADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC[C@@H]1C ZINC000665761517 452334270 /nfs/dbraw/zinc/33/42/70/452334270.db2.gz GSHZEQPLELXLFE-JYJNAYRXSA-N 1 3 328.501 1.325 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418480453 304500648 /nfs/dbraw/zinc/50/06/48/304500648.db2.gz CPVXJKYFCOFCFU-ILXRZTDVSA-N 1 3 326.485 1.112 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975674 452721209 /nfs/dbraw/zinc/72/12/09/452721209.db2.gz DMTWYGOKKLJCEP-GVDBMIGSSA-N 1 3 325.497 1.629 20 0 EDADHO COC(=O)[C@@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505779 277112708 /nfs/dbraw/zinc/11/27/08/277112708.db2.gz YUCLMAIYZNONMU-DAYGRLMNSA-N 1 3 342.480 1.122 20 0 EDADHO CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000269241185 277300146 /nfs/dbraw/zinc/30/01/46/277300146.db2.gz QWOQTHKUJQBUHW-KRWDZBQOSA-N 1 3 331.460 1.318 20 0 EDADHO CC(C)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000364594706 277302215 /nfs/dbraw/zinc/30/22/15/277302215.db2.gz WSTCBPSKJPDPSV-PXNSSMCTSA-N 1 3 327.472 1.939 20 0 EDADHO C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000417563104 278274474 /nfs/dbraw/zinc/27/44/74/278274474.db2.gz CWCWPWWTZOPLJO-KRWDZBQOSA-N 1 3 347.507 1.101 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000370662378 278341534 /nfs/dbraw/zinc/34/15/34/278341534.db2.gz KYBXPXUVNSVLGR-LJQANCHMSA-N 1 3 339.524 1.720 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000370662378 278341536 /nfs/dbraw/zinc/34/15/36/278341536.db2.gz KYBXPXUVNSVLGR-LJQANCHMSA-N 1 3 339.524 1.720 20 0 EDADHO CC(C)C[C@H](C[NH2+]CC1(O)CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000497084109 279162834 /nfs/dbraw/zinc/16/28/34/279162834.db2.gz SMHNQKLPUJCJIL-OAHLLOKOSA-N 1 3 343.512 1.972 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132279 279302301 /nfs/dbraw/zinc/30/23/01/279302301.db2.gz VHMCXHSBBJYFHO-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132279 279302302 /nfs/dbraw/zinc/30/23/02/279302302.db2.gz VHMCXHSBBJYFHO-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CSCCN1)[NH+]1CCC(C)CC1 ZINC000236726844 279839687 /nfs/dbraw/zinc/83/96/87/279839687.db2.gz WHDXKAATMHWLJJ-HZPDHXFCSA-N 1 3 327.538 1.954 20 0 EDADHO C[C@]1(CNc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112702 280160597 /nfs/dbraw/zinc/16/05/97/280160597.db2.gz DFEOFYIRYZMYFE-APWZRJJASA-N 1 3 330.476 1.795 20 0 EDADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)[NH+](C)C ZINC000369164223 280174694 /nfs/dbraw/zinc/17/46/94/280174694.db2.gz OJYAQNLYFTYDNA-QZTJIDSGSA-N 1 3 332.492 1.996 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000287312669 288207228 /nfs/dbraw/zinc/20/72/28/288207228.db2.gz GXAKLFDUPZGNCM-FUHWJXTLSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287312669 288207230 /nfs/dbraw/zinc/20/72/30/288207230.db2.gz GXAKLFDUPZGNCM-FUHWJXTLSA-N 1 3 332.492 1.800 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287665816 288289594 /nfs/dbraw/zinc/28/95/94/288289594.db2.gz VNDRSXLAKGFTQH-HUUCEWRRSA-N 1 3 327.428 1.889 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287665816 288289596 /nfs/dbraw/zinc/28/95/96/288289596.db2.gz VNDRSXLAKGFTQH-HUUCEWRRSA-N 1 3 327.428 1.889 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000287944123 288362927 /nfs/dbraw/zinc/36/29/27/288362927.db2.gz GFXQRDMFWSARBK-INIZCTEOSA-N 1 3 347.507 1.680 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736442 282036054 /nfs/dbraw/zinc/03/60/54/282036054.db2.gz MPQKVDZMKICNLT-YJBOKZPZSA-N 1 3 344.503 1.902 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119303 /nfs/dbraw/zinc/11/93/03/289119303.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 1 3 342.487 1.998 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119306 /nfs/dbraw/zinc/11/93/06/289119306.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 1 3 342.487 1.998 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)N[C@@H]1CNCCC1(F)F)C1CCCCC1 ZINC000417015245 289358185 /nfs/dbraw/zinc/35/81/85/289358185.db2.gz MFZXNZWUXOLFLH-ZIAGYGMSSA-N 1 3 332.439 1.793 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CNCCC3(F)F)C2)CC1 ZINC000418772901 289891115 /nfs/dbraw/zinc/89/11/15/289891115.db2.gz UZOQTJGLAUERJZ-KGLIPLIRSA-N 1 3 330.423 1.357 20 0 EDADHO CN1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961330 290143035 /nfs/dbraw/zinc/14/30/35/290143035.db2.gz HQOYSYXUZSPRKQ-NVXWUHKLSA-N 1 3 325.416 1.231 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCNS(C)(=O)=O)CC1 ZINC000121272574 290401313 /nfs/dbraw/zinc/40/13/13/290401313.db2.gz LRBPASQRCQPWCL-HOCLYGCPSA-N 1 3 331.526 1.558 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN[C@@H](C)[C@H]2C)cc1 ZINC000333684934 295224233 /nfs/dbraw/zinc/22/42/33/295224233.db2.gz PEKZXAAPNBJVTI-DACLVMHWSA-N 1 3 346.475 1.533 20 0 EDADHO CSC1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCN(C)CC1 ZINC000418193573 295576198 /nfs/dbraw/zinc/57/61/98/295576198.db2.gz BYGFLANNRCUFMQ-UHFFFAOYSA-N 1 3 340.537 1.599 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCN(C)CC1 ZINC000418192916 295576719 /nfs/dbraw/zinc/57/67/19/295576719.db2.gz AWYCZVAXQZXJSZ-MRXNPFEDSA-N 1 3 340.537 1.599 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@]2(N(C)C)CCCSC2)C[C@@H]1[NH+](C)C ZINC000371364469 295648528 /nfs/dbraw/zinc/64/85/28/295648528.db2.gz NROFYVPHNZLVNT-GUTXKFCHSA-N 1 3 331.551 1.318 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418635491 304522952 /nfs/dbraw/zinc/52/29/52/304522952.db2.gz KTEFPUNIJNUKAU-WMZOPIPTSA-N 1 3 334.464 1.317 20 0 EDADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1CC(F)(F)F ZINC000294205272 303077210 /nfs/dbraw/zinc/07/72/10/303077210.db2.gz MCNOGIRLBOQXKI-AWEZNQCLSA-N 1 3 342.365 1.803 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000295210605 303189063 /nfs/dbraw/zinc/18/90/63/303189063.db2.gz ALXPVBGTMNMOFP-SFHVURJKSA-N 1 3 346.519 1.699 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414873782 447337349 /nfs/dbraw/zinc/33/73/49/447337349.db2.gz HAQBUYHNPJYHQS-UHFFFAOYSA-N 1 3 346.353 1.171 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418752887 303897842 /nfs/dbraw/zinc/89/78/42/303897842.db2.gz UQLNWZVYQIQIBY-ZIAGYGMSSA-N 1 3 330.423 1.644 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(F)(F)C1 ZINC000429262922 305026941 /nfs/dbraw/zinc/02/69/41/305026941.db2.gz WIVCOBSHTVLENG-AWEZNQCLSA-N 1 3 332.439 1.842 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CC(F)(F)C1 ZINC000429262922 305026942 /nfs/dbraw/zinc/02/69/42/305026942.db2.gz WIVCOBSHTVLENG-AWEZNQCLSA-N 1 3 332.439 1.842 20 0 EDADHO C[NH2+]CCCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000430877781 305066697 /nfs/dbraw/zinc/06/66/97/305066697.db2.gz KARFQDSGNNDFED-OAHLLOKOSA-N 1 3 332.448 1.322 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380170 305106886 /nfs/dbraw/zinc/10/68/86/305106886.db2.gz ZITPDQRLOYCDRY-ILXRZTDVSA-N 1 3 334.468 1.053 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703646 453528588 /nfs/dbraw/zinc/52/85/88/453528588.db2.gz FTQKZAMYWDYELU-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458410228 447351399 /nfs/dbraw/zinc/35/13/99/447351399.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458410228 447351401 /nfs/dbraw/zinc/35/14/01/447351401.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC3(CCC(O)CC3)CC2)CC1 ZINC000515292806 305718232 /nfs/dbraw/zinc/71/82/32/305718232.db2.gz CDAKCYBSTLHSFG-UHFFFAOYSA-N 1 3 337.508 1.604 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000516458875 305737034 /nfs/dbraw/zinc/73/70/34/305737034.db2.gz OJJGHBNYLIEXTE-WFXMFSGNSA-N 1 3 335.492 1.510 20 0 EDADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000536538488 306021886 /nfs/dbraw/zinc/02/18/86/306021886.db2.gz XTRZEXBYILLRNO-LJQANCHMSA-N 1 3 342.487 1.653 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000557151037 306224986 /nfs/dbraw/zinc/22/49/86/306224986.db2.gz CEKFYJLMNOKQNB-QGZVFWFLSA-N 1 3 348.491 1.550 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000414949225 447370315 /nfs/dbraw/zinc/37/03/15/447370315.db2.gz ZEVCAOFBQOGFLU-CJNGLKHVSA-N 1 3 332.448 1.189 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422170581 447385755 /nfs/dbraw/zinc/38/57/55/447385755.db2.gz FJUHTYXFVOXNQA-QGZVFWFLSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422170581 447385761 /nfs/dbraw/zinc/38/57/61/447385761.db2.gz FJUHTYXFVOXNQA-QGZVFWFLSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@]1(CNc2ccccc2CN2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112703 447390093 /nfs/dbraw/zinc/39/00/93/447390093.db2.gz DFEOFYIRYZMYFE-LPHOPBHVSA-N 1 3 330.476 1.795 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000458501821 447390867 /nfs/dbraw/zinc/39/08/67/447390867.db2.gz JIXWHZNKGBRXHL-ZBFHGGJFSA-N 1 3 328.526 1.548 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000458501821 447390871 /nfs/dbraw/zinc/39/08/71/447390871.db2.gz JIXWHZNKGBRXHL-ZBFHGGJFSA-N 1 3 328.526 1.548 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526775 447400092 /nfs/dbraw/zinc/40/00/92/447400092.db2.gz WMTBGPJENBCYGL-SJORKVTESA-N 1 3 340.537 1.551 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526775 447400099 /nfs/dbraw/zinc/40/00/99/447400099.db2.gz WMTBGPJENBCYGL-SJORKVTESA-N 1 3 340.537 1.551 20 0 EDADHO CCCN(C(=O)C(=O)Nc1ccccc1CCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000415394390 447414441 /nfs/dbraw/zinc/41/44/41/447414441.db2.gz QIELCJCJQDEJDR-MRXNPFEDSA-N 1 3 346.475 1.330 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000109172774 441490744 /nfs/dbraw/zinc/49/07/44/441490744.db2.gz UNRKEBDCPYLIFX-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000109172774 441490746 /nfs/dbraw/zinc/49/07/46/441490746.db2.gz UNRKEBDCPYLIFX-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCOC)CC1 ZINC000113604593 441617976 /nfs/dbraw/zinc/61/79/76/441617976.db2.gz ATMOXBXXCSESGI-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCOC)CC1 ZINC000113604593 441617977 /nfs/dbraw/zinc/61/79/77/441617977.db2.gz ATMOXBXXCSESGI-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000136510894 441702912 /nfs/dbraw/zinc/70/29/12/441702912.db2.gz OPKBMFDEBVPPFV-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000136510894 441702918 /nfs/dbraw/zinc/70/29/18/441702918.db2.gz OPKBMFDEBVPPFV-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000136510894 441702924 /nfs/dbraw/zinc/70/29/24/441702924.db2.gz OPKBMFDEBVPPFV-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000136510894 441702929 /nfs/dbraw/zinc/70/29/29/441702929.db2.gz OPKBMFDEBVPPFV-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408050 441737236 /nfs/dbraw/zinc/73/72/36/441737236.db2.gz DQTZMMAPRSYNMZ-IRXDYDNUSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408050 441737239 /nfs/dbraw/zinc/73/72/39/441737239.db2.gz DQTZMMAPRSYNMZ-IRXDYDNUSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173410133 441740034 /nfs/dbraw/zinc/74/00/34/441740034.db2.gz FBKOXPGFIFVWSJ-ROUUACIJSA-N 1 3 332.492 1.907 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173410133 441740041 /nfs/dbraw/zinc/74/00/41/441740041.db2.gz FBKOXPGFIFVWSJ-ROUUACIJSA-N 1 3 332.492 1.907 20 0 EDADHO COCc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000092615650 441813812 /nfs/dbraw/zinc/81/38/12/441813812.db2.gz BNKOQZWVYGHBOE-UHFFFAOYSA-N 1 3 333.476 1.723 20 0 EDADHO COc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cc(OC)c1 ZINC000092615678 441814012 /nfs/dbraw/zinc/81/40/12/441814012.db2.gz PAXJUQBMOPOWTL-UHFFFAOYSA-N 1 3 349.475 1.594 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474270 442096259 /nfs/dbraw/zinc/09/62/59/442096259.db2.gz IBBCTULQGRNQQG-IIAWOOMASA-N 1 3 325.478 1.283 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000079460624 442050266 /nfs/dbraw/zinc/05/02/66/442050266.db2.gz YYZHSQGXAGGCTE-OAHLLOKOSA-N 1 3 329.448 1.398 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000079460624 442050272 /nfs/dbraw/zinc/05/02/72/442050272.db2.gz YYZHSQGXAGGCTE-OAHLLOKOSA-N 1 3 329.448 1.398 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCC3=CCCOC3)c2)C1 ZINC000127159723 442175828 /nfs/dbraw/zinc/17/58/28/442175828.db2.gz NJYLFBKUNSJQAE-IBGZPJMESA-N 1 3 343.471 1.820 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCC3=CCCOC3)c2)C1 ZINC000127159723 442175833 /nfs/dbraw/zinc/17/58/33/442175833.db2.gz NJYLFBKUNSJQAE-IBGZPJMESA-N 1 3 343.471 1.820 20 0 EDADHO CN(CC[NH+](C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000176198150 442189955 /nfs/dbraw/zinc/18/99/55/442189955.db2.gz NGGPCZPBGAQJEW-UHFFFAOYSA-N 1 3 347.507 1.137 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCNS(C)(=O)=O)CC2)C1 ZINC000121205800 442191599 /nfs/dbraw/zinc/19/15/99/442191599.db2.gz PIVWETUNDPEODI-GOEBONIOSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205800 442191605 /nfs/dbraw/zinc/19/16/05/442191605.db2.gz PIVWETUNDPEODI-GOEBONIOSA-N 1 3 331.526 1.558 20 0 EDADHO CC(=O)N1CC[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152905544 442250791 /nfs/dbraw/zinc/25/07/91/442250791.db2.gz YIOXWIQPVHXHEV-GOSISDBHSA-N 1 3 344.503 1.927 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000176339154 442211545 /nfs/dbraw/zinc/21/15/45/442211545.db2.gz NKCFPOXEAJJJCL-ZACQAIPSSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000176343997 442212563 /nfs/dbraw/zinc/21/25/63/442212563.db2.gz BBDMLQSBYAMMGQ-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000176343997 442212567 /nfs/dbraw/zinc/21/25/67/442212567.db2.gz BBDMLQSBYAMMGQ-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@]1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000168749206 442225430 /nfs/dbraw/zinc/22/54/30/442225430.db2.gz UPWRKGJJBDVWNK-LJQANCHMSA-N 1 3 344.459 1.450 20 0 EDADHO CC(C)n1cc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000168952016 442225626 /nfs/dbraw/zinc/22/56/26/442225626.db2.gz OJYIJACEYHAZBX-QGZVFWFLSA-N 1 3 337.512 1.505 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000169105067 442225967 /nfs/dbraw/zinc/22/59/67/442225967.db2.gz YXKYAUNYMLKVGG-WMZOPIPTSA-N 1 3 331.460 1.174 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1c(F)cccc1F ZINC000153825445 442305431 /nfs/dbraw/zinc/30/54/31/442305431.db2.gz YRCXAEFLRYKLGX-UHFFFAOYSA-N 1 3 342.434 1.642 20 0 EDADHO CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000130541548 442349219 /nfs/dbraw/zinc/34/92/19/442349219.db2.gz UYGDQDHMDFXLTE-JKSUJKDBSA-N 1 3 332.448 1.529 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154967567 442367421 /nfs/dbraw/zinc/36/74/21/442367421.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 1 3 340.512 1.349 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000154967567 442367424 /nfs/dbraw/zinc/36/74/24/442367424.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 1 3 340.512 1.349 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC000130880796 442358954 /nfs/dbraw/zinc/35/89/54/442358954.db2.gz WGHCRBMRDWTMLM-HNNXBMFYSA-N 1 3 331.460 1.259 20 0 EDADHO C[C@@H](O)C1CCN(CCOCC[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000178700223 442458300 /nfs/dbraw/zinc/45/83/00/442458300.db2.gz YAJCXBRLKLWTPP-HZPDHXFCSA-N 1 3 328.497 1.189 20 0 EDADHO COC1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831742 442497117 /nfs/dbraw/zinc/49/71/17/442497117.db2.gz XXEGTPUXQSYWQA-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO CC[C@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000134584416 442497536 /nfs/dbraw/zinc/49/75/36/442497536.db2.gz MNZXILWVSDAQJP-LJQANCHMSA-N 1 3 346.475 1.126 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000178954007 442537605 /nfs/dbraw/zinc/53/76/05/442537605.db2.gz FXWGCYCNRWDUDP-SFHVURJKSA-N 1 3 344.503 1.623 20 0 EDADHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885917 442514730 /nfs/dbraw/zinc/51/47/30/442514730.db2.gz YOEGTZLNPGFDPW-CVEARBPZSA-N 1 3 333.480 1.323 20 0 EDADHO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCN(CCn2cccn2)CC1 ZINC000178885946 442514904 /nfs/dbraw/zinc/51/49/04/442514904.db2.gz YOEGTZLNPGFDPW-JKSUJKDBSA-N 1 3 333.480 1.323 20 0 EDADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000188445788 442750848 /nfs/dbraw/zinc/75/08/48/442750848.db2.gz VMOKVEKILCFDHD-PMACEKPBSA-N 1 3 348.487 1.784 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000188133686 442714819 /nfs/dbraw/zinc/71/48/19/442714819.db2.gz MDXAETDLYGOOCG-DAYGRLMNSA-N 1 3 325.497 1.756 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000188133686 442714821 /nfs/dbraw/zinc/71/48/21/442714821.db2.gz MDXAETDLYGOOCG-DAYGRLMNSA-N 1 3 325.497 1.756 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783070 /nfs/dbraw/zinc/78/30/70/442783070.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783072 /nfs/dbraw/zinc/78/30/72/442783072.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000246944220 442823989 /nfs/dbraw/zinc/82/39/89/442823989.db2.gz HTXNITWKJOJWGA-IKGGRYGDSA-N 1 3 327.538 1.514 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000246944220 442823993 /nfs/dbraw/zinc/82/39/93/442823993.db2.gz HTXNITWKJOJWGA-IKGGRYGDSA-N 1 3 327.538 1.514 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182410455 318505279 /nfs/dbraw/zinc/50/52/79/318505279.db2.gz QKHLWQRTRVZRPT-DLBZAZTESA-N 1 3 345.553 1.350 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000189448801 442955950 /nfs/dbraw/zinc/95/59/50/442955950.db2.gz LNOHLNCJWWRXCG-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)CC[N@H+](C)C1CC1)c1ccccc1 ZINC000184693359 443060460 /nfs/dbraw/zinc/06/04/60/443060460.db2.gz WIROKPWTDNGQHR-GOSISDBHSA-N 1 3 332.492 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)CC[N@@H+](C)C1CC1)c1ccccc1 ZINC000184693359 443060463 /nfs/dbraw/zinc/06/04/63/443060463.db2.gz WIROKPWTDNGQHR-GOSISDBHSA-N 1 3 332.492 1.432 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245390088 443221437 /nfs/dbraw/zinc/22/14/37/443221437.db2.gz KRQJCIGPNHGGLZ-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000245390088 443221440 /nfs/dbraw/zinc/22/14/40/443221440.db2.gz KRQJCIGPNHGGLZ-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269207130 443233367 /nfs/dbraw/zinc/23/33/67/443233367.db2.gz ODZNSAFNFUKVLM-QZTJIDSGSA-N 1 3 344.503 1.703 20 0 EDADHO CN(CCN(C)C1CC1)c1cc(N(C)CC[N@H+](C)C2CC2)ncn1 ZINC000185737177 443248155 /nfs/dbraw/zinc/24/81/55/443248155.db2.gz RLWMRNWMADARIY-UHFFFAOYSA-N 1 3 332.496 1.537 20 0 EDADHO CN(CCN(C)C1CC1)c1cc(N(C)CC[N@@H+](C)C2CC2)ncn1 ZINC000185737177 443248159 /nfs/dbraw/zinc/24/81/59/443248159.db2.gz RLWMRNWMADARIY-UHFFFAOYSA-N 1 3 332.496 1.537 20 0 EDADHO COC(=O)CC1(NCC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1 ZINC000411661907 319193717 /nfs/dbraw/zinc/19/37/17/319193717.db2.gz WHWCOVAKRUKPCV-UHFFFAOYSA-N 1 3 339.480 1.441 20 0 EDADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239021 /nfs/dbraw/zinc/23/90/21/319239021.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 1 3 347.503 1.982 20 0 EDADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239024 /nfs/dbraw/zinc/23/90/24/319239024.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 1 3 347.503 1.982 20 0 EDADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201873 319318789 /nfs/dbraw/zinc/31/87/89/319318789.db2.gz YIBAZZPCTRORMV-UONOGXRCSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201873 319318792 /nfs/dbraw/zinc/31/87/92/319318792.db2.gz YIBAZZPCTRORMV-UONOGXRCSA-N 1 3 325.478 1.717 20 0 EDADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCO1 ZINC000414201933 319319015 /nfs/dbraw/zinc/31/90/15/319319015.db2.gz SYZCXFLNSKTZKM-QZTJIDSGSA-N 1 3 339.524 1.576 20 0 EDADHO Cc1ccncc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203917 319319352 /nfs/dbraw/zinc/31/93/52/319319352.db2.gz VRYXFWFXILLYDL-QGZVFWFLSA-N 1 3 332.492 1.837 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000414682621 319341904 /nfs/dbraw/zinc/34/19/04/319341904.db2.gz RTFDRXPZMDKNAI-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414685685 319342238 /nfs/dbraw/zinc/34/22/38/319342238.db2.gz DIJBSMOUAIONMV-LSDHHAIUSA-N 1 3 337.430 1.961 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415081676 319345832 /nfs/dbraw/zinc/34/58/32/319345832.db2.gz KSZKODJIJGUYMV-UHFFFAOYSA-N 1 3 330.432 1.171 20 0 EDADHO CS[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1N(C)C ZINC000415892744 319382509 /nfs/dbraw/zinc/38/25/09/319382509.db2.gz JJEQMOIKGIEIMR-HOTGVXAUSA-N 1 3 334.489 1.842 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970618 319386124 /nfs/dbraw/zinc/38/61/24/319386124.db2.gz FHDVRAKABJVVDO-OAHLLOKOSA-N 1 3 333.480 1.540 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835465 443266503 /nfs/dbraw/zinc/26/65/03/443266503.db2.gz PBGQIIBMLQJIAA-CVEARBPZSA-N 1 3 341.544 1.288 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000417333132 319492796 /nfs/dbraw/zinc/49/27/96/319492796.db2.gz PLBPMOGAYJPPJY-HUUCEWRRSA-N 1 3 348.491 1.942 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000264653120 443362817 /nfs/dbraw/zinc/36/28/17/443362817.db2.gz GXUUWUNEDCDABR-QGZVFWFLSA-N 1 3 344.503 1.899 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000264653120 443362822 /nfs/dbraw/zinc/36/28/22/443362822.db2.gz GXUUWUNEDCDABR-QGZVFWFLSA-N 1 3 344.503 1.899 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000422735202 319735052 /nfs/dbraw/zinc/73/50/52/319735052.db2.gz DPGVQJRVYUZZBT-APWZRJJASA-N 1 3 347.503 1.500 20 0 EDADHO COc1ccc([C@H](NCC2(O)CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422978669 319744553 /nfs/dbraw/zinc/74/45/53/319744553.db2.gz KBKSGGZBNNYCCK-ROUUACIJSA-N 1 3 333.476 1.535 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000423308484 319763412 /nfs/dbraw/zinc/76/34/12/319763412.db2.gz OLXHMOYGTGZNRR-HNNXBMFYSA-N 1 3 337.489 1.770 20 0 EDADHO CN1CC=C(CNC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000272138033 443537934 /nfs/dbraw/zinc/53/79/34/443537934.db2.gz XSDNODAUKWXUNP-UHFFFAOYSA-N 1 3 346.475 1.688 20 0 EDADHO Cc1nc2sccn2c(=O)c1CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000286291504 443684516 /nfs/dbraw/zinc/68/45/16/443684516.db2.gz GAGZNSWKKNNYFP-CQSZACIVSA-N 1 3 334.489 1.881 20 0 EDADHO Cc1nc2sccn2c(=O)c1CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000286291504 443684517 /nfs/dbraw/zinc/68/45/17/443684517.db2.gz GAGZNSWKKNNYFP-CQSZACIVSA-N 1 3 334.489 1.881 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241483 320617331 /nfs/dbraw/zinc/61/73/31/320617331.db2.gz QHNQBGLJRWBDFB-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)Oc1ccccc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357124 320656825 /nfs/dbraw/zinc/65/68/25/320656825.db2.gz MFMZIJZNFHJICS-UHFFFAOYSA-N 1 3 335.492 1.968 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000561186269 321035697 /nfs/dbraw/zinc/03/56/97/321035697.db2.gz QGDUHFSKGAJYDM-NJAFHUGGSA-N 1 3 346.475 1.266 20 0 EDADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)CC1 ZINC000561271989 321038487 /nfs/dbraw/zinc/03/84/87/321038487.db2.gz CUDPGWNJNAIPGK-TVFCKZIOSA-N 1 3 335.496 1.690 20 0 EDADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000562962641 321084581 /nfs/dbraw/zinc/08/45/81/321084581.db2.gz HEFOZAZKPDAYNM-AWEZNQCLSA-N 1 3 335.473 1.797 20 0 EDADHO CN(CCCNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000563885135 321114302 /nfs/dbraw/zinc/11/43/02/321114302.db2.gz YQYPTXJXZDTWFZ-UHFFFAOYSA-N 1 3 333.476 1.911 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC(C)(C)O)CC2)CC1 ZINC000564594539 321137101 /nfs/dbraw/zinc/13/71/01/321137101.db2.gz HNHIJISNNHTFLN-UHFFFAOYSA-N 1 3 325.497 1.412 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1 ZINC000565315439 321181784 /nfs/dbraw/zinc/18/17/84/321181784.db2.gz NVGHIQHQBMKNIE-UHFFFAOYSA-N 1 3 333.476 1.367 20 0 EDADHO CC(C)N(C)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299610705 444094534 /nfs/dbraw/zinc/09/45/34/444094534.db2.gz XKUAALYRUFBANG-UHFFFAOYSA-N 1 3 333.480 1.050 20 0 EDADHO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000568741139 321304110 /nfs/dbraw/zinc/30/41/10/321304110.db2.gz NTCQCBKDXCVMIG-IBGZPJMESA-N 1 3 335.492 1.310 20 0 EDADHO [NH3+]CCC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000568894425 321310798 /nfs/dbraw/zinc/31/07/98/321310798.db2.gz MLAGMHBTOHKKET-UHFFFAOYSA-N 1 3 344.503 1.786 20 0 EDADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000571326619 321382946 /nfs/dbraw/zinc/38/29/46/321382946.db2.gz IOXAMRNBUGLVQN-CVEARBPZSA-N 1 3 340.439 1.248 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327680 444149261 /nfs/dbraw/zinc/14/92/61/444149261.db2.gz FNARJBIWZDSXBV-YWTNHNAXSA-N 1 3 345.487 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327680 444149264 /nfs/dbraw/zinc/14/92/64/444149264.db2.gz FNARJBIWZDSXBV-YWTNHNAXSA-N 1 3 345.487 1.985 20 0 EDADHO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000304316004 444246672 /nfs/dbraw/zinc/24/66/72/444246672.db2.gz OIBJYZBJHJTUDB-PMACEKPBSA-N 1 3 347.503 1.133 20 0 EDADHO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000304316004 444246675 /nfs/dbraw/zinc/24/66/75/444246675.db2.gz OIBJYZBJHJTUDB-PMACEKPBSA-N 1 3 347.503 1.133 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)CCC(=O)OC ZINC000290139667 444247337 /nfs/dbraw/zinc/24/73/37/444247337.db2.gz ZYSRZEVSBBEZMF-MRXNPFEDSA-N 1 3 335.448 1.425 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1nn(C)c2ccccc12 ZINC000576814304 321598109 /nfs/dbraw/zinc/59/81/09/321598109.db2.gz HQXHAAWOCKPJLR-UHFFFAOYSA-N 1 3 331.464 1.068 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290053113 444235698 /nfs/dbraw/zinc/23/56/98/444235698.db2.gz FFOQYCNXYBMFPY-ROUUACIJSA-N 1 3 333.476 1.877 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000297664788 444315714 /nfs/dbraw/zinc/31/57/14/444315714.db2.gz FGTOGJKSPHMXPO-CRAIPNDOSA-N 1 3 348.491 1.710 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000297664788 444315715 /nfs/dbraw/zinc/31/57/15/444315715.db2.gz FGTOGJKSPHMXPO-CRAIPNDOSA-N 1 3 348.491 1.710 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562022 444301299 /nfs/dbraw/zinc/30/12/99/444301299.db2.gz RYUHGCAFUOBDQP-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562022 444301301 /nfs/dbraw/zinc/30/13/01/444301301.db2.gz RYUHGCAFUOBDQP-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CCN(C)CC1 ZINC000327069108 444380673 /nfs/dbraw/zinc/38/06/73/444380673.db2.gz KUASLJDWUFOLMP-RTBURBONSA-N 1 3 344.503 1.262 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000580307621 322033976 /nfs/dbraw/zinc/03/39/76/322033976.db2.gz YKXCDTSPUOMFSR-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CCOC[C@H](C)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000580723878 322087924 /nfs/dbraw/zinc/08/79/24/322087924.db2.gz MUNYJGXMKAZRRA-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000581180916 322145493 /nfs/dbraw/zinc/14/54/93/322145493.db2.gz XFVPARFFXOJHAT-QGZVFWFLSA-N 1 3 331.464 1.821 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000581820695 322220776 /nfs/dbraw/zinc/22/07/76/322220776.db2.gz RHPZTGTWZLWMNA-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765728 444575210 /nfs/dbraw/zinc/57/52/10/444575210.db2.gz IUPGFDBPJMXSHL-BQRFXZSASA-N 1 3 335.492 1.284 20 0 EDADHO Cc1cnc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000341005926 444627256 /nfs/dbraw/zinc/62/72/56/444627256.db2.gz JGMVITUPSXMGIO-UHFFFAOYSA-N 1 3 328.464 1.425 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341318 444641956 /nfs/dbraw/zinc/64/19/56/444641956.db2.gz SUICPGDVDIZEQK-RHSMWYFYSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333854075 444703170 /nfs/dbraw/zinc/70/31/70/444703170.db2.gz OEBICKNRAWJCQQ-CGTJXYLNSA-N 1 3 337.508 1.852 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333947451 444726596 /nfs/dbraw/zinc/72/65/96/444726596.db2.gz VPDJVQNOMZQXDA-HZPDHXFCSA-N 1 3 338.496 1.128 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2ccnn2C)CC1 ZINC000338548983 444743434 /nfs/dbraw/zinc/74/34/34/444743434.db2.gz KNRZIKNZYKRLGK-UHFFFAOYSA-N 1 3 349.523 1.523 20 0 EDADHO C[C@@H]1C[C@H](CO)CC[N@H+]1CCOCCN1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795803 /nfs/dbraw/zinc/79/58/03/444795803.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOCCN1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795805 /nfs/dbraw/zinc/79/58/05/444795805.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795806 /nfs/dbraw/zinc/79/58/06/444795806.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795809 /nfs/dbraw/zinc/79/58/09/444795809.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 1 3 328.497 1.189 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@H](O)CN1CCC(C)CC1)C(C)C ZINC000344510434 445023024 /nfs/dbraw/zinc/02/30/24/445023024.db2.gz GXTAEPQMQCYTOT-INIZCTEOSA-N 1 3 328.501 1.109 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@H](O)CN1CCC(C)CC1)C(C)C ZINC000344510434 445023027 /nfs/dbraw/zinc/02/30/27/445023027.db2.gz GXTAEPQMQCYTOT-INIZCTEOSA-N 1 3 328.501 1.109 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cncn1C ZINC000339089969 445027883 /nfs/dbraw/zinc/02/78/83/445027883.db2.gz ABFDLBHVIVMOGC-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cncn1C ZINC000339089969 445027886 /nfs/dbraw/zinc/02/78/86/445027886.db2.gz ABFDLBHVIVMOGC-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000344548955 445052333 /nfs/dbraw/zinc/05/23/33/445052333.db2.gz OHSJPXMCIFDTNK-BRWVUGGUSA-N 1 3 338.496 1.005 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000344548955 445052338 /nfs/dbraw/zinc/05/23/38/445052338.db2.gz OHSJPXMCIFDTNK-BRWVUGGUSA-N 1 3 338.496 1.005 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374847 445212161 /nfs/dbraw/zinc/21/21/61/445212161.db2.gz UTOVTVUYFIEHLL-HKUYNNGSSA-N 1 3 349.523 1.505 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229259 /nfs/dbraw/zinc/22/92/59/445229259.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229260 /nfs/dbraw/zinc/22/92/60/445229260.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229261 /nfs/dbraw/zinc/22/92/61/445229261.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229262 /nfs/dbraw/zinc/22/92/62/445229262.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 1 3 340.464 1.389 20 0 EDADHO C[C@H]1[C@H](N(C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147265 445232845 /nfs/dbraw/zinc/23/28/45/445232845.db2.gz MOIVXMUTRSTJEK-JKSUJKDBSA-N 1 3 325.497 1.412 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347694095 445245268 /nfs/dbraw/zinc/24/52/68/445245268.db2.gz QUJHMNFYRZYGSZ-CQSZACIVSA-N 1 3 331.460 1.455 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951995 445257807 /nfs/dbraw/zinc/25/78/07/445257807.db2.gz JMISKOYNQSQSHY-LSDHHAIUSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951995 445257811 /nfs/dbraw/zinc/25/78/11/445257811.db2.gz JMISKOYNQSQSHY-LSDHHAIUSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347951995 445257815 /nfs/dbraw/zinc/25/78/15/445257815.db2.gz JMISKOYNQSQSHY-LSDHHAIUSA-N 1 3 339.480 1.251 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000348108159 445271605 /nfs/dbraw/zinc/27/16/05/445271605.db2.gz JNVLPRWAZKZVQG-MWDXBVQZSA-N 1 3 338.496 1.364 20 0 EDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277422 /nfs/dbraw/zinc/27/74/22/445277422.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 1 3 335.471 1.805 20 0 EDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277424 /nfs/dbraw/zinc/27/74/24/445277424.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 1 3 335.471 1.805 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN(C)C2CC2)C1 ZINC000351790401 445322926 /nfs/dbraw/zinc/32/29/26/445322926.db2.gz PAXJANJKWWGLNV-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000362396771 445359218 /nfs/dbraw/zinc/35/92/18/445359218.db2.gz PUHODEOKAHGMNZ-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCOC1CNC1 ZINC000349008000 445474274 /nfs/dbraw/zinc/47/42/74/445474274.db2.gz VYIMGYFBOZBSNU-CRAIPNDOSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCOC1CNC1 ZINC000349008000 445474278 /nfs/dbraw/zinc/47/42/78/445474278.db2.gz VYIMGYFBOZBSNU-CRAIPNDOSA-N 1 3 331.460 1.392 20 0 EDADHO CCc1nccn1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553949 445436003 /nfs/dbraw/zinc/43/60/03/445436003.db2.gz QXHCMAWPTLPPLP-UONOGXRCSA-N 1 3 342.447 1.723 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000355387215 445457809 /nfs/dbraw/zinc/45/78/09/445457809.db2.gz SQTYETQATIZLQX-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000362665075 445485979 /nfs/dbraw/zinc/48/59/79/445485979.db2.gz COXYYTYRYAAAPA-HOCLYGCPSA-N 1 3 340.512 1.467 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349645577 445633307 /nfs/dbraw/zinc/63/33/07/445633307.db2.gz OJJKZFNYWAGTOK-GVDBMIGSSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000349645577 445633310 /nfs/dbraw/zinc/63/33/10/445633310.db2.gz OJJKZFNYWAGTOK-GVDBMIGSSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357921149 445593613 /nfs/dbraw/zinc/59/36/13/445593613.db2.gz PREFPLMWYVKBCD-DLBZAZTESA-N 1 3 341.544 1.432 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357921149 445593614 /nfs/dbraw/zinc/59/36/14/445593614.db2.gz PREFPLMWYVKBCD-DLBZAZTESA-N 1 3 341.544 1.432 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000360154232 445598530 /nfs/dbraw/zinc/59/85/30/445598530.db2.gz PIXGWKIDTCKYMO-FXAWDEMLSA-N 1 3 330.520 1.864 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358638310 445688318 /nfs/dbraw/zinc/68/83/18/445688318.db2.gz USGFCGICMCFUMY-UHFFFAOYSA-N 1 3 338.540 1.594 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349833339 445692505 /nfs/dbraw/zinc/69/25/05/445692505.db2.gz KXAJIOPALLZQJT-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356403383 445773433 /nfs/dbraw/zinc/77/34/33/445773433.db2.gz UMDTZMYVMNCADB-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865268 445818831 /nfs/dbraw/zinc/81/88/31/445818831.db2.gz MHTPOMSIKMKSJM-GDBMZVCRSA-N 1 3 325.453 1.422 20 0 EDADHO CN(C[C@H](O)Cc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363481548 445823106 /nfs/dbraw/zinc/82/31/06/445823106.db2.gz TUBBSDZEKYPDLE-VQTJNVASSA-N 1 3 331.504 1.690 20 0 EDADHO CN(C[C@H](O)Cc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363481548 445823112 /nfs/dbraw/zinc/82/31/12/445823112.db2.gz TUBBSDZEKYPDLE-VQTJNVASSA-N 1 3 331.504 1.690 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000350686260 445880155 /nfs/dbraw/zinc/88/01/55/445880155.db2.gz VPSCWWXYAARZIA-MRXNPFEDSA-N 1 3 325.497 1.602 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000363520359 445843588 /nfs/dbraw/zinc/84/35/88/445843588.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363520359 445843590 /nfs/dbraw/zinc/84/35/90/445843590.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 1 3 338.496 1.365 20 0 EDADHO COCC[C@]1(C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717835 445895650 /nfs/dbraw/zinc/89/56/50/445895650.db2.gz IZTDGSXXLRSOMJ-HXUWFJFHSA-N 1 3 345.487 1.567 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000364120418 445896114 /nfs/dbraw/zinc/89/61/14/445896114.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 1 3 339.443 1.402 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2[nH]nc3c2CNCC3)C1 ZINC000364120418 445896118 /nfs/dbraw/zinc/89/61/18/445896118.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 1 3 339.443 1.402 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091879 446018872 /nfs/dbraw/zinc/01/88/72/446018872.db2.gz GMQNTJJXMCNYKQ-ZMSDIMECSA-N 1 3 347.507 1.550 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091879 446018878 /nfs/dbraw/zinc/01/88/78/446018878.db2.gz GMQNTJJXMCNYKQ-ZMSDIMECSA-N 1 3 347.507 1.550 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000583206724 326026589 /nfs/dbraw/zinc/02/65/89/326026589.db2.gz HYPVUTMUZSOXOS-CQSZACIVSA-N 1 3 333.480 1.796 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(F)cncc1F ZINC000583953949 326172692 /nfs/dbraw/zinc/17/26/92/326172692.db2.gz ZXXLOQFYRQKYFF-GFCCVEGCSA-N 1 3 343.422 1.556 20 0 EDADHO CCc1cccnc1[C@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000356858471 446077366 /nfs/dbraw/zinc/07/73/66/446077366.db2.gz XROLAXUMTPSTGI-KRWDZBQOSA-N 1 3 334.508 1.685 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnnc1C ZINC000362040665 446173125 /nfs/dbraw/zinc/17/31/25/446173125.db2.gz VYOTUHCJFOVQHI-OAHLLOKOSA-N 1 3 334.468 1.665 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnnc1C ZINC000362040665 446173127 /nfs/dbraw/zinc/17/31/27/446173127.db2.gz VYOTUHCJFOVQHI-OAHLLOKOSA-N 1 3 334.468 1.665 20 0 EDADHO C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000362072093 446193051 /nfs/dbraw/zinc/19/30/51/446193051.db2.gz KLVRGKNILPJARU-LPHOPBHVSA-N 1 3 345.487 1.459 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359371398 446179285 /nfs/dbraw/zinc/17/92/85/446179285.db2.gz CVPDKRRNMCRVRY-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1)C(C)C ZINC000359401811 446202660 /nfs/dbraw/zinc/20/26/60/446202660.db2.gz QSXSZNLUXHWQTF-HOTGVXAUSA-N 1 3 340.512 1.020 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410889191 446351114 /nfs/dbraw/zinc/35/11/14/446351114.db2.gz YDCYCSBOQSRWTK-MRXNPFEDSA-N 1 3 340.512 1.118 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000410889191 446351116 /nfs/dbraw/zinc/35/11/16/446351116.db2.gz YDCYCSBOQSRWTK-MRXNPFEDSA-N 1 3 340.512 1.118 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831972 446374349 /nfs/dbraw/zinc/37/43/49/446374349.db2.gz SQOJMIIVBROSDW-BPQIPLTHSA-N 1 3 330.476 1.887 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417946279 446394462 /nfs/dbraw/zinc/39/44/62/446394462.db2.gz RFHPTBPKPFGXOQ-XSLAGTTESA-N 1 3 328.460 1.825 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000417947659 446395829 /nfs/dbraw/zinc/39/58/29/446395829.db2.gz HYOQNDCSCQWSJG-XYPWUTKMSA-N 1 3 347.463 1.104 20 0 EDADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418100919 446440600 /nfs/dbraw/zinc/44/06/00/446440600.db2.gz FPWOOPWCOMIKKL-XYJFISCASA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418100919 446440603 /nfs/dbraw/zinc/44/06/03/446440603.db2.gz FPWOOPWCOMIKKL-XYJFISCASA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420287524 446452931 /nfs/dbraw/zinc/45/29/31/446452931.db2.gz IAJDKFJJAIWHEF-JQHSSLGASA-N 1 3 332.492 1.465 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418185833 446451356 /nfs/dbraw/zinc/45/13/56/446451356.db2.gz BMLMNVOCIVLZBF-UHFFFAOYSA-N 1 3 349.479 1.211 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414878 /nfs/dbraw/zinc/41/48/78/446414878.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 1 3 344.547 1.919 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418011923 446415641 /nfs/dbraw/zinc/41/56/41/446415641.db2.gz LIFXDAYVSLDVJB-AYBZRNKSSA-N 1 3 330.476 1.887 20 0 EDADHO C[N@H+](CCCN1C(=O)CNC1=O)CC1CCN(c2ccncc2)CC1 ZINC000374847456 446416381 /nfs/dbraw/zinc/41/63/81/446416381.db2.gz RUFLQCFMUDFUCE-UHFFFAOYSA-N 1 3 345.447 1.172 20 0 EDADHO C[N@@H+](CCCN1C(=O)CNC1=O)CC1CCN(c2ccncc2)CC1 ZINC000374847456 446416384 /nfs/dbraw/zinc/41/63/84/446416384.db2.gz RUFLQCFMUDFUCE-UHFFFAOYSA-N 1 3 345.447 1.172 20 0 EDADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N(C)C)cc1 ZINC000418207204 446456896 /nfs/dbraw/zinc/45/68/96/446456896.db2.gz PCUYBRIPJAKSRD-XDNAFOTISA-N 1 3 346.475 1.594 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309160 446472213 /nfs/dbraw/zinc/47/22/13/446472213.db2.gz OJTODYCAOGZXNM-XLAORIBOSA-N 1 3 330.476 1.075 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2nccn2C)cc1 ZINC000420310688 446473989 /nfs/dbraw/zinc/47/39/89/446473989.db2.gz GOYDPNWZLKPCAG-RDJZCZTQSA-N 1 3 329.448 1.118 20 0 EDADHO COC[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000423311763 446482922 /nfs/dbraw/zinc/48/29/22/446482922.db2.gz QMGBUTDBLZLZOJ-FQEVSTJZSA-N 1 3 345.487 1.915 20 0 EDADHO C[C@H]1CCCCN1C(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326155 446493394 /nfs/dbraw/zinc/49/33/94/446493394.db2.gz XDSLKYPHWOBLKQ-ROUUACIJSA-N 1 3 336.524 1.395 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423367163 446503898 /nfs/dbraw/zinc/50/38/98/446503898.db2.gz DCDGSDZLGZKIQL-OAHLLOKOSA-N 1 3 346.475 1.333 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335368 446506120 /nfs/dbraw/zinc/50/61/20/446506120.db2.gz HFBVQLJOYAJMNV-QZTJIDSGSA-N 1 3 327.472 1.893 20 0 EDADHO Cc1cccc2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338236 446508097 /nfs/dbraw/zinc/50/80/97/446508097.db2.gz XOGMDRRJWXDKKE-JKSUJKDBSA-N 1 3 326.444 1.824 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343748 446515729 /nfs/dbraw/zinc/51/57/29/446515729.db2.gz RNGKVTDKOSIXKD-BDXSIMOUSA-N 1 3 337.508 1.629 20 0 EDADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329373 446497352 /nfs/dbraw/zinc/49/73/52/446497352.db2.gz GMRTUKMJNPDRQR-YTQUADARSA-N 1 3 329.488 1.974 20 0 EDADHO COc1ccccc1OCC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420382438 446558791 /nfs/dbraw/zinc/55/87/91/446558791.db2.gz PTQDXOADVZVBPH-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO COc1ccccc1OCC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000420382438 446558794 /nfs/dbraw/zinc/55/87/94/446558794.db2.gz PTQDXOADVZVBPH-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418493372 446565359 /nfs/dbraw/zinc/56/53/59/446565359.db2.gz WFMNDUQYDAYQSG-IEBWSBKVSA-N 1 3 344.459 1.451 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423416838 446524794 /nfs/dbraw/zinc/52/47/94/446524794.db2.gz RHSNNRXEWQDKEB-OAHLLOKOSA-N 1 3 340.512 1.153 20 0 EDADHO O[C@@H]1C[NH2+]C[C@H]1CN[C@H](Cc1ccccc1Br)C1CC1 ZINC000423442481 446539514 /nfs/dbraw/zinc/53/95/14/446539514.db2.gz WOAFZNDPAGXDMG-NUEKZKHPSA-N 1 3 339.277 1.940 20 0 EDADHO CCc1ccccc1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401816 446574207 /nfs/dbraw/zinc/57/42/07/446574207.db2.gz LGLTZGQYXKCCQL-RTBURBONSA-N 1 3 342.487 1.969 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418550201 446589191 /nfs/dbraw/zinc/58/91/91/446589191.db2.gz LFWMAUOYCADKJI-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418550201 446589196 /nfs/dbraw/zinc/58/91/96/446589196.db2.gz LFWMAUOYCADKJI-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1Cc1ccccc1 ZINC000418698045 446652890 /nfs/dbraw/zinc/65/28/90/446652890.db2.gz GZEMUPNCEPXRKP-GPFWEFOESA-N 1 3 342.487 1.899 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000418737147 446660163 /nfs/dbraw/zinc/66/01/63/446660163.db2.gz VHMXGBIMKWONTG-ZIAGYGMSSA-N 1 3 339.509 1.652 20 0 EDADHO CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@@H](c2ccccc2)C1 ZINC000423722576 446660596 /nfs/dbraw/zinc/66/05/96/446660596.db2.gz GJRWJNQRJSZIJI-MAUKXSAKSA-N 1 3 339.443 1.616 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732028 446666869 /nfs/dbraw/zinc/66/68/69/446666869.db2.gz SESMYCJRGSJGIO-BARDWOONSA-N 1 3 325.453 1.131 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732028 446666874 /nfs/dbraw/zinc/66/68/74/446666874.db2.gz SESMYCJRGSJGIO-BARDWOONSA-N 1 3 325.453 1.131 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@@H+]1C ZINC000418643893 446629856 /nfs/dbraw/zinc/62/98/56/446629856.db2.gz UUPYHWHWWZWZBI-HFTRVMKXSA-N 1 3 330.476 1.998 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)CC[N@H+]1C ZINC000418643893 446629860 /nfs/dbraw/zinc/62/98/60/446629860.db2.gz UUPYHWHWWZWZBI-HFTRVMKXSA-N 1 3 330.476 1.998 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418647378 446631946 /nfs/dbraw/zinc/63/19/46/446631946.db2.gz XWWVVOSTMLVODC-SFHVURJKSA-N 1 3 346.475 1.413 20 0 EDADHO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000368202845 446706434 /nfs/dbraw/zinc/70/64/34/446706434.db2.gz QJXFMVHVRPJVLI-PVAVHDDUSA-N 1 3 337.414 1.854 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424456864 446876163 /nfs/dbraw/zinc/87/61/63/446876163.db2.gz YAFCRPMLRHKOHF-IAGOWNOFSA-N 1 3 334.464 1.696 20 0 EDADHO CCc1nc(CN2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC000368471881 446884237 /nfs/dbraw/zinc/88/42/37/446884237.db2.gz UPIUZBMSJUEOOF-WZYMTQMTSA-N 1 3 333.480 1.811 20 0 EDADHO CCc1nc(CN2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)no1 ZINC000368471881 446884240 /nfs/dbraw/zinc/88/42/40/446884240.db2.gz UPIUZBMSJUEOOF-WZYMTQMTSA-N 1 3 333.480 1.811 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419096727 446921474 /nfs/dbraw/zinc/92/14/74/446921474.db2.gz CSSVZZYTUNCKFK-OAHLLOKOSA-N 1 3 338.496 1.145 20 0 EDADHO CN(CCCNC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061676 447001989 /nfs/dbraw/zinc/00/19/89/447001989.db2.gz SDJGOSWTTMCIIR-QGZVFWFLSA-N 1 3 332.492 1.690 20 0 EDADHO CC(C)OC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368826306 447137234 /nfs/dbraw/zinc/13/72/34/447137234.db2.gz UYCDGEMLWNUTDS-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000376046800 447233993 /nfs/dbraw/zinc/23/39/93/447233993.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 1 3 326.481 1.348 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000376046800 447234001 /nfs/dbraw/zinc/23/40/01/447234001.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 1 3 326.481 1.348 20 0 EDADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046193 447285226 /nfs/dbraw/zinc/28/52/26/447285226.db2.gz DFMKNXHCMDOGSP-IAGOWNOFSA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046193 447285228 /nfs/dbraw/zinc/28/52/28/447285228.db2.gz DFMKNXHCMDOGSP-IAGOWNOFSA-N 1 3 336.480 1.119 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369028373 447274136 /nfs/dbraw/zinc/27/41/36/447274136.db2.gz QATMHYODUKGBQP-IAGOWNOFSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458724731 447462014 /nfs/dbraw/zinc/46/20/14/447462014.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458724731 447462020 /nfs/dbraw/zinc/46/20/20/447462020.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@]1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940321 447506581 /nfs/dbraw/zinc/50/65/81/447506581.db2.gz QFTFPAGUOUXYCK-ICSRJNTNSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000427347419 447584531 /nfs/dbraw/zinc/58/45/31/447584531.db2.gz OIRCBRPMOYDZFK-NUJGCVRESA-N 1 3 337.508 1.819 20 0 EDADHO COCCN(C)C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398028099 447554580 /nfs/dbraw/zinc/55/45/80/447554580.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 1 3 349.519 1.426 20 0 EDADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156240 447554719 /nfs/dbraw/zinc/55/47/19/447554719.db2.gz XIUFALCFSYKNJW-MSOLQXFVSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)COC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398123658 447555681 /nfs/dbraw/zinc/55/56/81/447555681.db2.gz HOZDQMIDUQPTPX-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO Cc1cnc(N2C[C@H]3CCN(C)[C@H]3C2)nc1N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000450780405 447573146 /nfs/dbraw/zinc/57/31/46/447573146.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 1 3 342.491 1.066 20 0 EDADHO Cc1cnc(N2C[C@H]3CCN(C)[C@H]3C2)nc1N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000450780405 447573152 /nfs/dbraw/zinc/57/31/52/447573152.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 1 3 342.491 1.066 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCN(C2CC2)C1 ZINC000457845181 447646793 /nfs/dbraw/zinc/64/67/93/447646793.db2.gz AFDHOKUHQXDXMT-HNNXBMFYSA-N 1 3 334.508 1.987 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416816809 447691472 /nfs/dbraw/zinc/69/14/72/447691472.db2.gz HMVMRBBFDPCQRA-FUHWJXTLSA-N 1 3 346.475 1.883 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)C[NH+]1CCCCC1 ZINC000457958592 447684740 /nfs/dbraw/zinc/68/47/40/447684740.db2.gz ZKNHOGJEHFTJFJ-SJORKVTESA-N 1 3 340.512 1.254 20 0 EDADHO C[NH2+]CCCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416808769 447690039 /nfs/dbraw/zinc/69/00/39/447690039.db2.gz ACJHSZINGYIPJV-QGZVFWFLSA-N 1 3 334.464 1.741 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164386 447731245 /nfs/dbraw/zinc/73/12/45/447731245.db2.gz BKVQWRMUWWSSMC-CVEARBPZSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164386 447731249 /nfs/dbraw/zinc/73/12/49/447731249.db2.gz BKVQWRMUWWSSMC-CVEARBPZSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164386 447731254 /nfs/dbraw/zinc/73/12/54/447731254.db2.gz BKVQWRMUWWSSMC-CVEARBPZSA-N 1 3 343.512 1.924 20 0 EDADHO COC[C@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087895 447814349 /nfs/dbraw/zinc/81/43/49/447814349.db2.gz PRNFFVBKIWEBEF-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)CCCC[NH3+])C2=O)c1 ZINC000422919226 447772768 /nfs/dbraw/zinc/77/27/68/447772768.db2.gz JGSZBUYYCIMROZ-GUYCJALGSA-N 1 3 335.448 1.916 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837252 /nfs/dbraw/zinc/83/72/52/447837252.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837254 /nfs/dbraw/zinc/83/72/54/447837254.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496585080 447827107 /nfs/dbraw/zinc/82/71/07/447827107.db2.gz GYMQFFBPBFREPX-SOUVJXGZSA-N 1 3 329.485 1.677 20 0 EDADHO C[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496588603 447827836 /nfs/dbraw/zinc/82/78/36/447827836.db2.gz ZAPHRRDMVWOSRO-RHSMWYFYSA-N 1 3 329.485 1.584 20 0 EDADHO C[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCC1 ZINC000496588603 447827838 /nfs/dbraw/zinc/82/78/38/447827838.db2.gz ZAPHRRDMVWOSRO-RHSMWYFYSA-N 1 3 329.485 1.584 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000530678267 447938639 /nfs/dbraw/zinc/93/86/39/447938639.db2.gz BAPMOLHYKUEIQP-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000570322535 447985648 /nfs/dbraw/zinc/98/56/48/447985648.db2.gz JQPAIARCVOHXPZ-ZWOKBUDYSA-N 1 3 349.519 1.698 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000570322535 447985652 /nfs/dbraw/zinc/98/56/52/447985652.db2.gz JQPAIARCVOHXPZ-ZWOKBUDYSA-N 1 3 349.519 1.698 20 0 EDADHO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000531189054 448035875 /nfs/dbraw/zinc/03/58/75/448035875.db2.gz LLTKULZQPOIJIM-HNNXBMFYSA-N 1 3 348.495 1.922 20 0 EDADHO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000531189054 448035880 /nfs/dbraw/zinc/03/58/80/448035880.db2.gz LLTKULZQPOIJIM-HNNXBMFYSA-N 1 3 348.495 1.922 20 0 EDADHO COc1ccc(O[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531356852 448069489 /nfs/dbraw/zinc/06/94/89/448069489.db2.gz JNEFVWGIAXICCS-OAHLLOKOSA-N 1 3 337.464 1.414 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000576688026 448114118 /nfs/dbraw/zinc/11/41/18/448114118.db2.gz MRJBRQPCFJPABC-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO Cc1c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cnn1CC(C)C ZINC000527132566 448167534 /nfs/dbraw/zinc/16/75/34/448167534.db2.gz UJBIYBRWECNLPK-UHFFFAOYSA-N 1 3 338.500 1.805 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000514871802 448219539 /nfs/dbraw/zinc/21/95/39/448219539.db2.gz DIDBIRJUPYEEDJ-IYBDPMFKSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](CC[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)Cc1ccccc1 ZINC000515347379 448293356 /nfs/dbraw/zinc/29/33/56/448293356.db2.gz DPVRPUDDUPKKDK-ICSRJNTNSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@@H](CCNC[C@H](O)CN1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000515347379 448293365 /nfs/dbraw/zinc/29/33/65/448293365.db2.gz DPVRPUDDUPKKDK-ICSRJNTNSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@@H](CCNC[C@H](O)CN1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515347379 448293369 /nfs/dbraw/zinc/29/33/69/448293369.db2.gz DPVRPUDDUPKKDK-ICSRJNTNSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@H](CC[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)Cc1ccccc1 ZINC000515347381 448293582 /nfs/dbraw/zinc/29/35/82/448293582.db2.gz DPVRPUDDUPKKDK-UYAOXDASSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000515347381 448293587 /nfs/dbraw/zinc/29/35/87/448293587.db2.gz DPVRPUDDUPKKDK-UYAOXDASSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515347381 448293595 /nfs/dbraw/zinc/29/35/95/448293595.db2.gz DPVRPUDDUPKKDK-UYAOXDASSA-N 1 3 348.535 1.095 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)Cc1ccccc1 ZINC000582781716 448337957 /nfs/dbraw/zinc/33/79/57/448337957.db2.gz SLNXWYCWLYCKTI-GOSISDBHSA-N 1 3 329.444 1.715 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCNc1cnccn1 ZINC000564824574 448341001 /nfs/dbraw/zinc/34/10/01/448341001.db2.gz KDSQFZVJBCALKX-QAPCUYQASA-N 1 3 325.416 1.734 20 0 EDADHO COCC1(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843195 448399167 /nfs/dbraw/zinc/39/91/67/448399167.db2.gz LNWQQYWPWNHNLK-OAHLLOKOSA-N 1 3 340.512 1.422 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](O)(CC)C3)CC2)CC1 ZINC000516490364 448427591 /nfs/dbraw/zinc/42/75/91/448427591.db2.gz RAHLPFKWLNAWDF-IBGZPJMESA-N 1 3 337.508 1.556 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516772669 448471446 /nfs/dbraw/zinc/47/14/46/448471446.db2.gz LBOXVQCXPBRRBX-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000516772669 448471451 /nfs/dbraw/zinc/47/14/51/448471451.db2.gz LBOXVQCXPBRRBX-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)C1CCC(O)(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000591749056 448480594 /nfs/dbraw/zinc/48/05/94/448480594.db2.gz CIZNKKNMBHXFAV-NDUQDZPOSA-N 1 3 326.481 1.933 20 0 EDADHO CCOC(=O)C1CCC(O)(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000591749056 448480599 /nfs/dbraw/zinc/48/05/99/448480599.db2.gz CIZNKKNMBHXFAV-NDUQDZPOSA-N 1 3 326.481 1.933 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367400 448500753 /nfs/dbraw/zinc/50/07/53/448500753.db2.gz IUWNXGNPGGFVGD-JZXOWHBKSA-N 1 3 340.508 1.474 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000517225278 448556258 /nfs/dbraw/zinc/55/62/58/448556258.db2.gz SXKVFUCINHNIME-DLBZAZTESA-N 1 3 333.480 1.094 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC1(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770016 448667411 /nfs/dbraw/zinc/66/74/11/448667411.db2.gz YMBQZSQZOWUOFC-FAZHARAESA-N 1 3 340.508 1.806 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC1(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770016 448667417 /nfs/dbraw/zinc/66/74/17/448667417.db2.gz YMBQZSQZOWUOFC-FAZHARAESA-N 1 3 340.508 1.806 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)n(C2CCN(C)CC2)n1 ZINC000528681991 448628581 /nfs/dbraw/zinc/62/85/81/448628581.db2.gz PRXDGFLKYIWRDZ-OAHLLOKOSA-N 1 3 346.479 1.864 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc(OC)n3)CC2)CC1 ZINC000567519960 448710177 /nfs/dbraw/zinc/71/01/77/448710177.db2.gz VQXKFDPWGKQCIA-UHFFFAOYSA-N 1 3 347.463 1.620 20 0 EDADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1SC ZINC000592168839 448721011 /nfs/dbraw/zinc/72/10/11/448721011.db2.gz MRXQUPRUBQXLHC-INMHGKMJSA-N 1 3 341.521 1.228 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)NCCNc3ccncc3)ccc21 ZINC000518972152 448727035 /nfs/dbraw/zinc/72/70/35/448727035.db2.gz ONACYPWEQCAHHZ-UHFFFAOYSA-N 1 3 337.427 1.649 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000579911499 448906545 /nfs/dbraw/zinc/90/65/45/448906545.db2.gz GIOILDVYFGNXOF-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000579911499 448906549 /nfs/dbraw/zinc/90/65/49/448906549.db2.gz GIOILDVYFGNXOF-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CN(CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CC1 ZINC000579934439 448913618 /nfs/dbraw/zinc/91/36/18/448913618.db2.gz KFKTWLZLIOJUJJ-SJORKVTESA-N 1 3 334.439 1.746 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc4c(c3)CNC4)c21 ZINC000592543750 448889612 /nfs/dbraw/zinc/88/96/12/448889612.db2.gz GYNATMGLUUCNSV-CYBMUJFWSA-N 1 3 325.416 1.252 20 0 EDADHO CS[C@H]1CN(C(=O)CCN(C)c2ccncc2)C[C@H]1[NH+]1CCCC1 ZINC000547950226 448953091 /nfs/dbraw/zinc/95/30/91/448953091.db2.gz OTZLCIZLJAUIEQ-SJORKVTESA-N 1 3 348.516 1.946 20 0 EDADHO CC[NH+]1CCN(CCC(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000589185949 448985734 /nfs/dbraw/zinc/98/57/34/448985734.db2.gz MCRTVPUFCMROLN-UHFFFAOYSA-N 1 3 328.420 1.233 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN(c4ccncc4)CC3)c21 ZINC000592961899 449084501 /nfs/dbraw/zinc/08/45/01/449084501.db2.gz UUYMJNIFRWDHFR-CQSZACIVSA-N 1 3 340.431 1.077 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000617505969 449652999 /nfs/dbraw/zinc/65/29/99/449652999.db2.gz WTWKYICAMLVYKN-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000617505969 449653001 /nfs/dbraw/zinc/65/30/01/449653001.db2.gz WTWKYICAMLVYKN-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO COc1cccc(OC)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506723 449655861 /nfs/dbraw/zinc/65/58/61/449655861.db2.gz XEGXBBWLSJUHPU-AWEZNQCLSA-N 1 3 337.464 1.706 20 0 EDADHO COc1cccc(OC)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506723 449655870 /nfs/dbraw/zinc/65/58/70/449655870.db2.gz XEGXBBWLSJUHPU-AWEZNQCLSA-N 1 3 337.464 1.706 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000617502321 449645041 /nfs/dbraw/zinc/64/50/41/449645041.db2.gz LQLLWSCHUQCZMJ-MAUKXSAKSA-N 1 3 327.513 1.706 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(O)CCCC(C)(C)C1 ZINC000617502321 449645045 /nfs/dbraw/zinc/64/50/45/449645045.db2.gz LQLLWSCHUQCZMJ-MAUKXSAKSA-N 1 3 327.513 1.706 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000617504166 449646742 /nfs/dbraw/zinc/64/67/42/449646742.db2.gz INNGZKGKSCHIJX-RLFYNMQTSA-N 1 3 349.475 1.603 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000617504166 449646746 /nfs/dbraw/zinc/64/67/46/449646746.db2.gz INNGZKGKSCHIJX-RLFYNMQTSA-N 1 3 349.475 1.603 20 0 EDADHO CCO[C@H]1C[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000617955051 449948027 /nfs/dbraw/zinc/94/80/27/449948027.db2.gz GYYODFLSZBDORU-SAABIXHNSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000608709077 449916903 /nfs/dbraw/zinc/91/69/03/449916903.db2.gz KKUVOFSVFIEFMJ-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273789 450037830 /nfs/dbraw/zinc/03/78/30/450037830.db2.gz FUSOMQJKZZHLNC-ROUUACIJSA-N 1 3 335.492 1.573 20 0 EDADHO NC(=O)Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517417 450317602 /nfs/dbraw/zinc/31/76/02/450317602.db2.gz UQAZTYVGJDPKJS-GOSISDBHSA-N 1 3 331.460 1.447 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000616781051 450483601 /nfs/dbraw/zinc/48/36/01/450483601.db2.gz DEKJEZUWPCLMGN-FPCVCCKLSA-N 1 3 340.512 1.210 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000616781051 450483605 /nfs/dbraw/zinc/48/36/05/450483605.db2.gz DEKJEZUWPCLMGN-FPCVCCKLSA-N 1 3 340.512 1.210 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000629418169 450663148 /nfs/dbraw/zinc/66/31/48/450663148.db2.gz NAWDTKJGKBDLEJ-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633037734 450634448 /nfs/dbraw/zinc/63/44/48/450634448.db2.gz UNSSOMRDFAVTMZ-KOMQPUFPSA-N 1 3 346.475 1.363 20 0 EDADHO CN(C)CCCS(=O)(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000631677853 450709843 /nfs/dbraw/zinc/70/98/43/450709843.db2.gz IKLNFZJZCHDYLE-UHFFFAOYSA-N 1 3 327.494 1.380 20 0 EDADHO CN(C)CCCS(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000631677853 450709848 /nfs/dbraw/zinc/70/98/48/450709848.db2.gz IKLNFZJZCHDYLE-UHFFFAOYSA-N 1 3 327.494 1.380 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000626415908 450730197 /nfs/dbraw/zinc/73/01/97/450730197.db2.gz AKVPKQQYKSFQEC-QGZVFWFLSA-N 1 3 348.495 1.973 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000626415908 450730205 /nfs/dbraw/zinc/73/02/05/450730205.db2.gz AKVPKQQYKSFQEC-QGZVFWFLSA-N 1 3 348.495 1.973 20 0 EDADHO O[C@H](CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000629554646 450733502 /nfs/dbraw/zinc/73/35/02/450733502.db2.gz LTWBBQXDLSNKBA-IYWMVGAKSA-N 1 3 348.487 1.701 20 0 EDADHO CN(c1ccccc1CNCC1([NH3+])CCOCC1)C1CCN(C)CC1 ZINC000629655163 450772190 /nfs/dbraw/zinc/77/21/90/450772190.db2.gz TUFJDDMXSXJFFR-UHFFFAOYSA-N 1 3 346.519 1.815 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266688 450770733 /nfs/dbraw/zinc/77/07/33/450770733.db2.gz SWJFNVXKEFDOGE-NEWSRXKRSA-N 1 3 332.492 1.602 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266688 450770739 /nfs/dbraw/zinc/77/07/39/450770739.db2.gz SWJFNVXKEFDOGE-NEWSRXKRSA-N 1 3 332.492 1.602 20 0 EDADHO Cn1c2cc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829107 450801300 /nfs/dbraw/zinc/80/13/00/450801300.db2.gz HATXXZPGBYQTBM-DAYGRLMNSA-N 1 3 345.443 1.992 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000626920332 451004036 /nfs/dbraw/zinc/00/40/36/451004036.db2.gz WSQGTGUJYFLKKZ-QGTPRVQTSA-N 1 3 346.475 1.882 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000626922237 451006322 /nfs/dbraw/zinc/00/63/22/451006322.db2.gz ROFLXBKGVSUIRV-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000626934073 451016959 /nfs/dbraw/zinc/01/69/59/451016959.db2.gz AVNNSNYAJLNTRH-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000626997544 451063319 /nfs/dbraw/zinc/06/33/19/451063319.db2.gz AMHFZLLLQCQKGV-RDJZCZTQSA-N 1 3 334.464 1.185 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000626999072 451064870 /nfs/dbraw/zinc/06/48/70/451064870.db2.gz WFGMJIILLDHFNS-RDJZCZTQSA-N 1 3 346.475 1.457 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000627038813 451095172 /nfs/dbraw/zinc/09/51/72/451095172.db2.gz OJGPCJSWWDIDAI-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000627157961 451154072 /nfs/dbraw/zinc/15/40/72/451154072.db2.gz FRBNLMFVAXSTTD-OKZBNKHCSA-N 1 3 346.475 1.193 20 0 EDADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCOCCC[NH3+])CC1 ZINC000627215323 451192013 /nfs/dbraw/zinc/19/20/13/451192013.db2.gz IVTBIZMVJBZFIU-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085004 451250123 /nfs/dbraw/zinc/25/01/23/451250123.db2.gz WIEUOJJDAULRCT-SUMDDJOVSA-N 1 3 331.460 1.694 20 0 EDADHO CCCCN(C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638091239 451256473 /nfs/dbraw/zinc/25/64/73/451256473.db2.gz RTAINZODEONSLH-LLVKDONJSA-N 1 3 344.410 1.212 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638092149 451257685 /nfs/dbraw/zinc/25/76/85/451257685.db2.gz DUBWCXINQIVJJQ-MRXNPFEDSA-N 1 3 344.459 1.322 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000638136859 451310106 /nfs/dbraw/zinc/31/01/06/451310106.db2.gz NYIRGCIAMVERHS-INIZCTEOSA-N 1 3 332.492 1.438 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000638137380 451310517 /nfs/dbraw/zinc/31/05/17/451310517.db2.gz JOQARTONMOLWGU-WMZOPIPTSA-N 1 3 332.492 1.479 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000636578171 451318931 /nfs/dbraw/zinc/31/89/31/451318931.db2.gz DQJJCSFZLNXHTB-YOEHRIQHSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000636578171 451318934 /nfs/dbraw/zinc/31/89/34/451318934.db2.gz DQJJCSFZLNXHTB-YOEHRIQHSA-N 1 3 346.479 1.898 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638158067 451328770 /nfs/dbraw/zinc/32/87/70/451328770.db2.gz OLKGZMIIDWAKTQ-DLBZAZTESA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172319 451335478 /nfs/dbraw/zinc/33/54/78/451335478.db2.gz ZCQSDEGVPKFINK-IBGZPJMESA-N 1 3 340.471 1.433 20 0 EDADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184625 451344747 /nfs/dbraw/zinc/34/47/47/451344747.db2.gz ZGEMSGFGURBNSP-BRSBDYLESA-N 1 3 326.481 1.612 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000630879699 451458937 /nfs/dbraw/zinc/45/89/37/451458937.db2.gz MFOWCCDDCIESQA-MWDXBVQZSA-N 1 3 325.497 1.674 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000630879699 451458943 /nfs/dbraw/zinc/45/89/43/451458943.db2.gz MFOWCCDDCIESQA-MWDXBVQZSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638367732 451465472 /nfs/dbraw/zinc/46/54/72/451465472.db2.gz GRGBRNOFSCAWJD-VXGBXAGGSA-N 1 3 333.436 1.159 20 0 EDADHO [NH3+]C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)c2ccccc21 ZINC000634690898 451467501 /nfs/dbraw/zinc/46/75/01/451467501.db2.gz WMPDKCJXSHTLKN-OAHLLOKOSA-N 1 3 342.487 1.682 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386584 451479685 /nfs/dbraw/zinc/47/96/85/451479685.db2.gz NPLQHVAPLGKITD-HRCADAONSA-N 1 3 325.497 1.709 20 0 EDADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393532 451483502 /nfs/dbraw/zinc/48/35/02/451483502.db2.gz RVYVSDVKHSTSOH-BZUAXINKSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423166 451506754 /nfs/dbraw/zinc/50/67/54/451506754.db2.gz PXEAKJCHANSLOS-NZSAHSFTSA-N 1 3 346.519 1.812 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000638489199 451540613 /nfs/dbraw/zinc/54/06/13/451540613.db2.gz JYLBFLNSESHHJD-IBGZPJMESA-N 1 3 344.503 1.655 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CN1C1CC1 ZINC000636907000 451597288 /nfs/dbraw/zinc/59/72/88/451597288.db2.gz HJBUIHMDFZYLJZ-UONOGXRCSA-N 1 3 346.479 1.897 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717126 451663961 /nfs/dbraw/zinc/66/39/61/451663961.db2.gz FTUZJONYIJVQAU-CZUORRHYSA-N 1 3 326.448 1.302 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635010868 451648239 /nfs/dbraw/zinc/64/82/39/451648239.db2.gz WKZXXSWCVGVGAP-IMJJTQAJSA-N 1 3 336.505 1.477 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000638837062 451706336 /nfs/dbraw/zinc/70/63/36/451706336.db2.gz XMDBEVOMUWSAGJ-QRQLOZEOSA-N 1 3 345.487 1.639 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000638837062 451706337 /nfs/dbraw/zinc/70/63/37/451706337.db2.gz XMDBEVOMUWSAGJ-QRQLOZEOSA-N 1 3 345.487 1.639 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCN1CC[C@H](O)C1)[NH+](C)C ZINC000637138550 451738769 /nfs/dbraw/zinc/73/87/69/451738769.db2.gz QLGAKEUYQLRYTD-BQFCYCMXSA-N 1 3 348.491 1.352 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000638949081 451741949 /nfs/dbraw/zinc/74/19/49/451741949.db2.gz XDYYTCWOLIOLOM-KBAYOESNSA-N 1 3 330.476 1.927 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641214289 451783932 /nfs/dbraw/zinc/78/39/32/451783932.db2.gz CAZVWCOCNUQOLP-IEBWSBKVSA-N 1 3 343.475 1.313 20 0 EDADHO O[C@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641229647 451791374 /nfs/dbraw/zinc/79/13/74/451791374.db2.gz LHQPBZDNJHEYLN-LJQANCHMSA-N 1 3 341.459 1.382 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310580 451820298 /nfs/dbraw/zinc/82/02/98/451820298.db2.gz XWZUDIFUXROJFN-PMACEKPBSA-N 1 3 348.487 1.784 20 0 EDADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313537 451822152 /nfs/dbraw/zinc/82/21/52/451822152.db2.gz XHPFQHNCQOQQGU-HRCADAONSA-N 1 3 327.513 1.309 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000639345271 451837470 /nfs/dbraw/zinc/83/74/70/451837470.db2.gz GBWBRXWLHWNHQM-CYBMUJFWSA-N 1 3 334.386 1.811 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000642440142 451879668 /nfs/dbraw/zinc/87/96/68/451879668.db2.gz XCSJBHOFWIWIOK-WMLDXEAASA-N 1 3 346.475 1.313 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645416 451906800 /nfs/dbraw/zinc/90/68/00/451906800.db2.gz JZZROJODAJJALO-JKSUJKDBSA-N 1 3 338.496 1.016 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC000639549870 451940613 /nfs/dbraw/zinc/94/06/13/451940613.db2.gz ILPKLSIZEOUJIN-QGZVFWFLSA-N 1 3 333.476 1.784 20 0 EDADHO COc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)N2CCCC2)cc1 ZINC000649277199 451947123 /nfs/dbraw/zinc/94/71/23/451947123.db2.gz LWZFDONQKUAZTG-FUHWJXTLSA-N 1 3 347.459 1.184 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589606 451960440 /nfs/dbraw/zinc/96/04/40/451960440.db2.gz POKRCUPZCBCQOM-SZMVWBNQSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649288284 451962359 /nfs/dbraw/zinc/96/23/59/451962359.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 1 3 330.476 1.890 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649288284 451962364 /nfs/dbraw/zinc/96/23/64/451962364.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 1 3 330.476 1.890 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649303002 451979197 /nfs/dbraw/zinc/97/91/97/451979197.db2.gz NIPNFHBVSSWCMC-GJZGRUSLSA-N 1 3 325.403 1.520 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990449 451991327 /nfs/dbraw/zinc/99/13/27/451991327.db2.gz HTKGBGGEQUMRGW-FRQCXROJSA-N 1 3 329.444 1.439 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649313017 451991822 /nfs/dbraw/zinc/99/18/22/451991822.db2.gz YAZKNYKSOQNTOW-MRXNPFEDSA-N 1 3 349.500 1.718 20 0 EDADHO COC[C@@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000649321747 451999948 /nfs/dbraw/zinc/99/99/48/451999948.db2.gz ORJILUPTNIGDCJ-LJQANCHMSA-N 1 3 349.475 1.054 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326544 452006420 /nfs/dbraw/zinc/00/64/20/452006420.db2.gz BJHXVSSOXRVBAD-USXIJHARSA-N 1 3 345.491 1.586 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCOCC1)c1ccccc1 ZINC000649335092 452015922 /nfs/dbraw/zinc/01/59/22/452015922.db2.gz DTYIDNJCRIWAFR-DDBAPUKQSA-N 1 3 343.471 1.753 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnnn1-c1ccccc1 ZINC000651713695 452031239 /nfs/dbraw/zinc/03/12/39/452031239.db2.gz AADPIXMBLSPUAJ-QGZVFWFLSA-N 1 3 329.448 1.594 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnnn1-c1ccccc1 ZINC000651713695 452031245 /nfs/dbraw/zinc/03/12/45/452031245.db2.gz AADPIXMBLSPUAJ-QGZVFWFLSA-N 1 3 329.448 1.594 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418265 452080091 /nfs/dbraw/zinc/08/00/91/452080091.db2.gz RFNBRNUZZUCHIE-BBWFWOEESA-N 1 3 345.491 1.627 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637813613 452096763 /nfs/dbraw/zinc/09/67/63/452096763.db2.gz CWAPTWMCKYKTQC-ZDUSSCGKSA-N 1 3 345.447 1.033 20 0 EDADHO c1cc2c(cc[nH+]c2N[C@H]2CCCN(CCN3CCOCC3)C2)[nH]1 ZINC000641717470 452216261 /nfs/dbraw/zinc/21/62/61/452216261.db2.gz BTIVKXUFCOUMJX-HNNXBMFYSA-N 1 3 329.448 1.771 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221289 452216911 /nfs/dbraw/zinc/21/69/11/452216911.db2.gz LQWMHIGEPZNAKU-GPMSIDNRSA-N 1 3 344.459 1.263 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426703 452269709 /nfs/dbraw/zinc/26/97/09/452269709.db2.gz AZHJJBDXMYQWNR-UUCFBXCCSA-N 1 3 334.489 1.936 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659433630 452279434 /nfs/dbraw/zinc/27/94/34/452279434.db2.gz AFJJWBOUMODIRV-KLHDSHLOSA-N 1 3 328.476 1.825 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000661495492 452297134 /nfs/dbraw/zinc/29/71/34/452297134.db2.gz VRKZINRDNMWPAU-NVXWUHKLSA-N 1 3 325.497 1.458 20 0 EDADHO NC[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C(F)(F)F ZINC000655505203 452301444 /nfs/dbraw/zinc/30/14/44/452301444.db2.gz SCMNQVLSIAEZEC-ZDUSSCGKSA-N 1 3 328.338 1.610 20 0 EDADHO C[C@@H](CCNC(=O)NCc1ccc(OCCN(C)C)cc1)[NH+](C)C ZINC000663585175 452310292 /nfs/dbraw/zinc/31/02/92/452310292.db2.gz ZUGUVCVCBGXJKM-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C/C[NH3+] ZINC000641865086 452331842 /nfs/dbraw/zinc/33/18/42/452331842.db2.gz OYEZRTQZKOSOAE-REMYHPOOSA-N 1 3 331.464 1.592 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCS1 ZINC000665759750 452332720 /nfs/dbraw/zinc/33/27/20/452332720.db2.gz OFAWVJZJAMKXJM-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCS1 ZINC000665759750 452332726 /nfs/dbraw/zinc/33/27/26/452332726.db2.gz OFAWVJZJAMKXJM-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000659481448 452340651 /nfs/dbraw/zinc/34/06/51/452340651.db2.gz YXJPOXGVHAOHHZ-ZWKOTPCHSA-N 1 3 348.491 1.426 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CCO)CC1 ZINC000665763507 452343524 /nfs/dbraw/zinc/34/35/24/452343524.db2.gz CSGHLWHTCWUOQF-IRXDYDNUSA-N 1 3 342.528 1.453 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CCO)CC1 ZINC000665763507 452343533 /nfs/dbraw/zinc/34/35/33/452343533.db2.gz CSGHLWHTCWUOQF-IRXDYDNUSA-N 1 3 342.528 1.453 20 0 EDADHO CCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151090 452344288 /nfs/dbraw/zinc/34/42/88/452344288.db2.gz IQAZLRIJLJBQJR-BBWFWOEESA-N 1 3 340.512 1.646 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652163300 452357901 /nfs/dbraw/zinc/35/79/01/452357901.db2.gz HZADVMVYWAHLNF-UHFFFAOYSA-N 1 3 326.485 1.304 20 0 EDADHO COC[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCCN1 ZINC000638062708 452358079 /nfs/dbraw/zinc/35/80/79/452358079.db2.gz PSJDAIXDWTUNGH-GOSISDBHSA-N 1 3 335.448 1.724 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000638062343 452358939 /nfs/dbraw/zinc/35/89/39/452358939.db2.gz FMRNZISYWQCNTA-FUHWJXTLSA-N 1 3 335.448 1.010 20 0 EDADHO COC[C@@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCCN1 ZINC000638063377 452361085 /nfs/dbraw/zinc/36/10/85/452361085.db2.gz MFMACVYHPFZWJF-LJQANCHMSA-N 1 3 349.475 1.402 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000652182753 452377342 /nfs/dbraw/zinc/37/73/42/452377342.db2.gz AXDUHAGFRSKAFH-MRXNPFEDSA-N 1 3 348.491 1.706 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000638077323 452389481 /nfs/dbraw/zinc/38/94/81/452389481.db2.gz RGSHFJCKEJZVBE-RCCFBDPRSA-N 1 3 331.460 1.692 20 0 EDADHO C[C@@H]1NCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000659589205 452444997 /nfs/dbraw/zinc/44/49/97/452444997.db2.gz MHMBUZDSQBPBCJ-WRFANHODSA-N 1 3 334.439 1.663 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659616344 452473250 /nfs/dbraw/zinc/47/32/50/452473250.db2.gz GJUHXQNWIARFBH-UHFFFAOYSA-N 1 3 330.476 1.820 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345517 452519152 /nfs/dbraw/zinc/51/91/52/452519152.db2.gz DEWNSJRXWDERDJ-BFYDXBDKSA-N 1 3 342.443 1.413 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346761 452523271 /nfs/dbraw/zinc/52/32/71/452523271.db2.gz HEJYZDSGBKSBCC-MWDXBVQZSA-N 1 3 341.496 1.136 20 0 EDADHO C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000655708767 452525938 /nfs/dbraw/zinc/52/59/38/452525938.db2.gz OHABYRPDVJLQIS-IEBWSBKVSA-N 1 3 338.540 1.103 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654471862 452538123 /nfs/dbraw/zinc/53/81/23/452538123.db2.gz JNGIXWAKRDXEHN-WOVMCDHWSA-N 1 3 340.512 1.515 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000645567051 452540822 /nfs/dbraw/zinc/54/08/22/452540822.db2.gz KIRBFPWZMKBLQK-UHFFFAOYSA-N 1 3 349.475 1.530 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815102 452547068 /nfs/dbraw/zinc/54/70/68/452547068.db2.gz PCGHIHOTOQXZAM-LJQANCHMSA-N 1 3 344.503 1.622 20 0 EDADHO [NH3+]CC1(CC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000645597521 452580112 /nfs/dbraw/zinc/58/01/12/452580112.db2.gz HUFACNAZHRNAAF-UHFFFAOYSA-N 1 3 344.503 1.834 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCOC)C3CC3)CC2)CC1 ZINC000654529059 452609423 /nfs/dbraw/zinc/60/94/23/452609423.db2.gz CPSKKXRBYFBLGN-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657918221 452611031 /nfs/dbraw/zinc/61/10/31/452611031.db2.gz BGHBHLCDLCMCRZ-KRWDZBQOSA-N 1 3 331.460 1.779 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1CO ZINC000663891230 452614898 /nfs/dbraw/zinc/61/48/98/452614898.db2.gz WMMFRCOQASKMEI-HNNXBMFYSA-N 1 3 336.480 1.250 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccccc1CO ZINC000663891230 452614901 /nfs/dbraw/zinc/61/49/01/452614901.db2.gz WMMFRCOQASKMEI-HNNXBMFYSA-N 1 3 336.480 1.250 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccn(CCN(C)C)n2)([NH+](C)C)C1 ZINC000654573824 452658519 /nfs/dbraw/zinc/65/85/19/452658519.db2.gz PIFLDGJRULTLPF-CRAIPNDOSA-N 1 3 335.496 1.685 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCCn3nccc32)(N2CCOCC2)CC1 ZINC000658035677 452696183 /nfs/dbraw/zinc/69/61/83/452696183.db2.gz UGPXVUAIUHKHTR-INIZCTEOSA-N 1 3 333.480 1.104 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000658084553 452719803 /nfs/dbraw/zinc/71/98/03/452719803.db2.gz ASYUCQMUVVEKQA-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CCCCOCCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978576 452723174 /nfs/dbraw/zinc/72/31/74/452723174.db2.gz VAFNHXDAYVSJHV-DLBZAZTESA-N 1 3 325.497 1.631 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000661973297 452727644 /nfs/dbraw/zinc/72/76/44/452727644.db2.gz QBQRBUSOGLXLHP-KRWDZBQOSA-N 1 3 340.512 1.658 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000661976001 452729941 /nfs/dbraw/zinc/72/99/41/452729941.db2.gz QOBYYELFZQGXTM-BRWVUGGUSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000661976001 452729947 /nfs/dbraw/zinc/72/99/47/452729947.db2.gz QOBYYELFZQGXTM-BRWVUGGUSA-N 1 3 336.480 1.166 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655959579 452742175 /nfs/dbraw/zinc/74/21/75/452742175.db2.gz UUFRTINCQNIFEY-SJORKVTESA-N 1 3 344.459 1.478 20 0 EDADHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000664077508 452770228 /nfs/dbraw/zinc/77/02/28/452770228.db2.gz HHKQZXXSLOPXQK-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000664077508 452770237 /nfs/dbraw/zinc/77/02/37/452770237.db2.gz HHKQZXXSLOPXQK-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078213 452773022 /nfs/dbraw/zinc/77/30/22/452773022.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CCN1C ZINC000658342507 452856181 /nfs/dbraw/zinc/85/61/81/452856181.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342507 452856198 /nfs/dbraw/zinc/85/61/98/452856198.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342507 452856209 /nfs/dbraw/zinc/85/62/09/452856209.db2.gz NUHYOLQFCKBJJG-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO CN1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](Cc2ccccc2)C1 ZINC000650720268 452950573 /nfs/dbraw/zinc/95/05/73/452950573.db2.gz KDPVPSIERFPWIW-RBUKOAKNSA-N 1 3 344.503 1.042 20 0 EDADHO CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@H](Cc2ccccc2)C1 ZINC000650720268 452950577 /nfs/dbraw/zinc/95/05/77/452950577.db2.gz KDPVPSIERFPWIW-RBUKOAKNSA-N 1 3 344.503 1.042 20 0 EDADHO COc1cc2nccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000656218696 452968216 /nfs/dbraw/zinc/96/82/16/452968216.db2.gz GGGYVVGYVXSMOT-QWHCGFSZSA-N 1 3 329.400 1.507 20 0 EDADHO COc1cc2nccc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000656218696 452968224 /nfs/dbraw/zinc/96/82/24/452968224.db2.gz GGGYVVGYVXSMOT-QWHCGFSZSA-N 1 3 329.400 1.507 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000652813722 452972676 /nfs/dbraw/zinc/97/26/76/452972676.db2.gz KBMASEZRIVDDJA-CEXWTWQISA-N 1 3 345.487 1.829 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000652813722 452972682 /nfs/dbraw/zinc/97/26/82/452972682.db2.gz KBMASEZRIVDDJA-CEXWTWQISA-N 1 3 345.487 1.829 20 0 EDADHO O=C(NC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccc(F)cc1 ZINC000662249153 452972753 /nfs/dbraw/zinc/97/27/53/452972753.db2.gz QWYQUTFPGYDSMG-QGZVFWFLSA-N 1 3 347.434 1.541 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256928 452986383 /nfs/dbraw/zinc/98/63/83/452986383.db2.gz KCNVIXYWJZTUDI-WMZOPIPTSA-N 1 3 343.471 1.649 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256928 452986388 /nfs/dbraw/zinc/98/63/88/452986388.db2.gz KCNVIXYWJZTUDI-WMZOPIPTSA-N 1 3 343.471 1.649 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccncc1 ZINC000664323213 452998077 /nfs/dbraw/zinc/99/80/77/452998077.db2.gz ARRLGCZQCMNYEI-CVEARBPZSA-N 1 3 335.496 1.756 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](C)c1ccncc1 ZINC000664323213 452998087 /nfs/dbraw/zinc/99/80/87/452998087.db2.gz ARRLGCZQCMNYEI-CVEARBPZSA-N 1 3 335.496 1.756 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002750 452999359 /nfs/dbraw/zinc/99/93/59/452999359.db2.gz BPPCCBFCKSNWER-MOPGFXCFSA-N 1 3 344.503 1.705 20 0 EDADHO CN(Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284997 453009181 /nfs/dbraw/zinc/00/91/81/453009181.db2.gz TVPITGDEIFWLMG-LBPRGKRZSA-N 1 3 326.343 1.961 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686186 453063957 /nfs/dbraw/zinc/06/39/57/453063957.db2.gz GCJGMQDOOWOLDT-HUUCEWRRSA-N 1 3 345.443 1.561 20 0 EDADHO C[C@H]1CN(c2ccccc2F)CCN1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699067 453077605 /nfs/dbraw/zinc/07/76/05/453077605.db2.gz IWOQOVXHXRJPLM-JKSUJKDBSA-N 1 3 348.466 1.534 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000666701989 453079149 /nfs/dbraw/zinc/07/91/49/453079149.db2.gz WJIXYOYPVZYRGG-PBHICJAKSA-N 1 3 335.423 1.476 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000666701989 453079157 /nfs/dbraw/zinc/07/91/57/453079157.db2.gz WJIXYOYPVZYRGG-PBHICJAKSA-N 1 3 335.423 1.476 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666702042 453079321 /nfs/dbraw/zinc/07/93/21/453079321.db2.gz PPZXUQMOILALGH-KFWWJZLASA-N 1 3 346.475 1.566 20 0 EDADHO C[C@@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664421877 453082221 /nfs/dbraw/zinc/08/22/21/453082221.db2.gz QPUYWOPAFXQPBW-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664421877 453082227 /nfs/dbraw/zinc/08/22/27/453082227.db2.gz QPUYWOPAFXQPBW-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401815 453113088 /nfs/dbraw/zinc/11/30/88/453113088.db2.gz BNVMSPMCFZFRGI-KGLIPLIRSA-N 1 3 333.480 1.727 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000666746703 453113400 /nfs/dbraw/zinc/11/34/00/453113400.db2.gz ASVMPUILNRUABZ-KRWDZBQOSA-N 1 3 334.464 1.514 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662450177 453158106 /nfs/dbraw/zinc/15/81/06/453158106.db2.gz JFAOHORSQQMAJN-QGZVFWFLSA-N 1 3 342.487 1.532 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662450177 453158113 /nfs/dbraw/zinc/15/81/13/453158113.db2.gz JFAOHORSQQMAJN-QGZVFWFLSA-N 1 3 342.487 1.532 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000666906765 453230224 /nfs/dbraw/zinc/23/02/24/453230224.db2.gz AIDFETAVAQQKQX-HOCLYGCPSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(CN)c3)CC[C@@H]21 ZINC000666906765 453230228 /nfs/dbraw/zinc/23/02/28/453230228.db2.gz AIDFETAVAQQKQX-HOCLYGCPSA-N 1 3 330.432 1.027 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(C)(C)O)CC2)CC1 ZINC000655125558 453241214 /nfs/dbraw/zinc/24/12/14/453241214.db2.gz ODAILUBGJMWSLD-HNNXBMFYSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)N2CCCC2)cc1 ZINC000653113624 453301869 /nfs/dbraw/zinc/30/18/69/453301869.db2.gz JFPCSUZPNIMPHH-BJLQDIEVSA-N 1 3 343.471 1.484 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000653120200 453310040 /nfs/dbraw/zinc/31/00/40/453310040.db2.gz JRJPNEPNJKYREP-OAHLLOKOSA-N 1 3 342.553 1.133 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593687 453320902 /nfs/dbraw/zinc/32/09/02/453320902.db2.gz QAPVQYDXQIKJBX-NXEZDXNNSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593687 453320910 /nfs/dbraw/zinc/32/09/10/453320910.db2.gz QAPVQYDXQIKJBX-NXEZDXNNSA-N 1 3 337.508 1.756 20 0 EDADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000664726181 453354707 /nfs/dbraw/zinc/35/47/07/453354707.db2.gz YOVLNCMTHCGSFW-UHFFFAOYSA-N 1 3 347.459 1.222 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000655247103 453370568 /nfs/dbraw/zinc/37/05/68/453370568.db2.gz SIKWSUXEHATGCC-ZIFCJYIRSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)N1CCC(N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662672827 453388592 /nfs/dbraw/zinc/38/85/92/453388592.db2.gz FZNOGRNXLDUEFL-MRXNPFEDSA-N 1 3 348.495 1.538 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000662687126 453408447 /nfs/dbraw/zinc/40/84/47/453408447.db2.gz UBCQKTQVRUCPHF-CXAGYDPISA-N 1 3 341.415 1.400 20 0 EDADHO COc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648932459 453409976 /nfs/dbraw/zinc/40/99/76/453409976.db2.gz VPXOCQGOVWPRLV-UKRRQHHQSA-N 1 3 335.448 1.914 20 0 EDADHO COc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCCN(C)C ZINC000648932459 453409986 /nfs/dbraw/zinc/40/99/86/453409986.db2.gz VPXOCQGOVWPRLV-UKRRQHHQSA-N 1 3 335.448 1.914 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc3c(c2)CNC3)C1 ZINC000653260014 453441665 /nfs/dbraw/zinc/44/16/65/453441665.db2.gz BHFVMAMTWRQBQU-KURKYZTESA-N 1 3 329.444 1.791 20 0 EDADHO [NH3+]C1(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000662730447 453456551 /nfs/dbraw/zinc/45/65/51/453456551.db2.gz FPASUSMTQLQHDM-UHFFFAOYSA-N 1 3 330.432 1.332 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662760600 453498411 /nfs/dbraw/zinc/49/84/11/453498411.db2.gz XXZOBABYCMAYJL-QGZVFWFLSA-N 1 3 342.487 1.184 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662760600 453498415 /nfs/dbraw/zinc/49/84/15/453498415.db2.gz XXZOBABYCMAYJL-QGZVFWFLSA-N 1 3 342.487 1.184 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834426 453561493 /nfs/dbraw/zinc/56/14/93/453561493.db2.gz HGYKSKVPMBAAJD-ZBFHGGJFSA-N 1 3 332.448 1.888 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000659009633 453579157 /nfs/dbraw/zinc/57/91/57/453579157.db2.gz OPUPEDXXWVYDCH-UHFFFAOYSA-N 1 3 343.475 1.702 20 0 EDADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC2CN(C)C2)CC1 ZINC000660937775 453654870 /nfs/dbraw/zinc/65/48/70/453654870.db2.gz HWVLPXCZLMEPGX-HNNXBMFYSA-N 1 3 345.491 1.810 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000665551463 453743199 /nfs/dbraw/zinc/74/31/99/453743199.db2.gz HYEZSAQFUARWCD-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO Cn1nc(C(F)(F)F)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000657387382 453779868 /nfs/dbraw/zinc/77/98/68/453779868.db2.gz UISIECNMCSODLP-UHFFFAOYSA-N 1 3 333.402 1.555 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[NH2+]C)c(C)c2)CC1 ZINC000414750625 486729586 /nfs/dbraw/zinc/72/95/86/486729586.db2.gz MDHQNNXLWUXDQI-UHFFFAOYSA-N 1 3 333.480 1.820 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415658651 486766081 /nfs/dbraw/zinc/76/60/81/486766081.db2.gz VQWSICZDLCWKBR-GJZGRUSLSA-N 1 3 332.448 1.115 20 0 EDADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673512680 487030586 /nfs/dbraw/zinc/03/05/86/487030586.db2.gz MAFLENLQXROBCX-MOPGFXCFSA-N 1 3 343.471 1.564 20 0 EDADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863559 487185118 /nfs/dbraw/zinc/18/51/18/487185118.db2.gz PRXCGRYPZGCATD-IBGZPJMESA-N 1 3 348.535 1.491 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCN1CCOC ZINC000675189425 487386618 /nfs/dbraw/zinc/38/66/18/487386618.db2.gz YVSGCLBBCSFQFU-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000669550904 485544674 /nfs/dbraw/zinc/54/46/74/485544674.db2.gz BLXIFOQLKAIQHI-INIZCTEOSA-N 1 3 331.464 1.739 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000669418935 486137873 /nfs/dbraw/zinc/13/78/73/486137873.db2.gz IZKCZQWFGMTOLE-HYVNUMGLSA-N 1 3 334.464 1.355 20 0 EDADHO O[C@@H](CN1CCOCC1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000078647517 486189567 /nfs/dbraw/zinc/18/95/67/486189567.db2.gz GTNPZGLYKOWLQL-LJQANCHMSA-N 1 3 339.524 1.268 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000080095307 491170331 /nfs/dbraw/zinc/17/03/31/491170331.db2.gz ZZIQFCQLSOODBW-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000080150849 491171462 /nfs/dbraw/zinc/17/14/62/491171462.db2.gz CNDNYGDZJVYCTN-UHFFFAOYSA-N 1 3 336.484 1.687 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461545 /nfs/dbraw/zinc/46/15/45/536461545.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461548 /nfs/dbraw/zinc/46/15/48/536461548.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000174151307 528026653 /nfs/dbraw/zinc/02/66/53/528026653.db2.gz YKJDHSXBIZPWQG-UHFFFAOYSA-N 1 3 347.507 1.832 20 0 EDADHO CCN(CCO)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000187099043 528540008 /nfs/dbraw/zinc/54/00/08/528540008.db2.gz UXWXYKMXLJPVJO-UHFFFAOYSA-N 1 3 348.491 1.396 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000262583969 535203609 /nfs/dbraw/zinc/20/36/09/535203609.db2.gz SKCBDBULUATFIF-KRWDZBQOSA-N 1 3 344.503 1.946 20 0 EDADHO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262047940 535342842 /nfs/dbraw/zinc/34/28/42/535342842.db2.gz MFKLQLLEHFHMOY-OAHLLOKOSA-N 1 3 325.478 1.511 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339631586 535510834 /nfs/dbraw/zinc/51/08/34/535510834.db2.gz RUDKEBPICHZLJE-UHFFFAOYSA-N 1 3 340.512 1.215 20 0 EDADHO CC[NH+]1CCN(CCC(=O)N2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000261906357 535678889 /nfs/dbraw/zinc/67/88/89/535678889.db2.gz HAOZWCSZMHCOGA-GOSISDBHSA-N 1 3 348.466 1.326 20 0 EDADHO CCN1CCN(CCCCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875507 535689112 /nfs/dbraw/zinc/68/91/12/535689112.db2.gz SLMMRGCCOFNJGG-ROUUACIJSA-N 1 3 338.540 1.546 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc2oc1=O ZINC000236991236 535933216 /nfs/dbraw/zinc/93/32/16/535933216.db2.gz GDEZBHHTTCOSJG-STQMWFEESA-N 1 3 346.431 1.612 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CC[NH2+]C1 ZINC000119621752 536025662 /nfs/dbraw/zinc/02/56/62/536025662.db2.gz CDDBEPQCEUFTQN-LJQANCHMSA-N 1 3 349.475 1.642 20 0 EDADHO CN(C)CCOC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000753724464 578643580 /nfs/dbraw/zinc/64/35/80/578643580.db2.gz MIQWKRXZJXIIGL-UHFFFAOYSA-N 1 3 326.481 1.962 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826378 578659935 /nfs/dbraw/zinc/65/99/35/578659935.db2.gz XAYQAQBLGKPEFN-BRWVUGGUSA-N 1 3 336.480 1.119 20 0 EDADHO C[NH+]1CCC(CNC(=S)N2CCN(c3ccncc3)CC2)CC1 ZINC000760467134 580031442 /nfs/dbraw/zinc/03/14/42/580031442.db2.gz BCSOYYMFEZFOEU-UHFFFAOYSA-N 1 3 333.505 1.420 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734272143 578804105 /nfs/dbraw/zinc/80/41/05/578804105.db2.gz BGNPFMMJYDUQGR-HOCLYGCPSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275116 578804288 /nfs/dbraw/zinc/80/42/88/578804288.db2.gz OVUPBJZLMJPZSX-YOEHRIQHSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275116 578804289 /nfs/dbraw/zinc/80/42/89/578804289.db2.gz OVUPBJZLMJPZSX-YOEHRIQHSA-N 1 3 338.496 1.412 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605874 580124502 /nfs/dbraw/zinc/12/45/02/580124502.db2.gz DYFPNGYEKHOPKS-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605874 580124503 /nfs/dbraw/zinc/12/45/03/580124503.db2.gz DYFPNGYEKHOPKS-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO C[NH+](C)C1CC(NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000773494506 580338871 /nfs/dbraw/zinc/33/88/71/580338871.db2.gz ZYTUREYCKLVJCD-UHFFFAOYSA-N 1 3 330.476 1.408 20 0 EDADHO CNS(=O)(=O)Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000774133493 580354771 /nfs/dbraw/zinc/35/47/71/580354771.db2.gz HQHKZWGMJREKHJ-ALOPSCKCSA-N 1 3 337.489 1.451 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000782911345 580587963 /nfs/dbraw/zinc/58/79/63/580587963.db2.gz YGEJTAWQPAJJBX-HZPDHXFCSA-N 1 3 341.455 1.994 20 0 EDADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)n1 ZINC000784449643 580621205 /nfs/dbraw/zinc/62/12/05/580621205.db2.gz DECUTMPDXJUOOC-UHFFFAOYSA-N 1 3 343.859 1.701 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCC1(SC)CCN(C)CC1 ZINC000891908298 590682760 /nfs/dbraw/zinc/68/27/60/590682760.db2.gz VKNMCRPNCKIRKP-CQSZACIVSA-N 1 3 328.526 1.597 20 0 EDADHO COCCC1(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237292 590880135 /nfs/dbraw/zinc/88/01/35/590880135.db2.gz YWTNVLLNYVKYAN-HZPDHXFCSA-N 1 3 338.496 1.461 20 0 EDADHO [NH3+][C@H](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)Cc1ccccc1 ZINC000892407662 591015108 /nfs/dbraw/zinc/01/51/08/591015108.db2.gz BVWMQABREAODSA-QZTJIDSGSA-N 1 3 348.491 1.093 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1ccncc1 ZINC000892430077 591024915 /nfs/dbraw/zinc/02/49/15/591024915.db2.gz AGZOTSPUBYHXJN-BZUAXINKSA-N 1 3 331.464 1.819 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000892490152 591047309 /nfs/dbraw/zinc/04/73/09/591047309.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000892490152 591047312 /nfs/dbraw/zinc/04/73/12/591047312.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348224 591053876 /nfs/dbraw/zinc/05/38/76/591053876.db2.gz CJGBZYQFNZQVMN-HZPDHXFCSA-N 1 3 338.496 1.319 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000892529956 591060598 /nfs/dbraw/zinc/06/05/98/591060598.db2.gz GMRNUMQIABASJP-QGZVFWFLSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000892530035 591061189 /nfs/dbraw/zinc/06/11/89/591061189.db2.gz IBPJARBRKCVJQR-GVDBMIGSSA-N 1 3 334.439 1.650 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546725 591068182 /nfs/dbraw/zinc/06/81/82/591068182.db2.gz KVDGXSDIYSUVPW-ZIFCJYIRSA-N 1 3 346.475 1.002 20 0 EDADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000891514757 591103721 /nfs/dbraw/zinc/10/37/21/591103721.db2.gz YWZJBVSYLCRSKS-MPGHIAIKSA-N 1 3 338.496 1.256 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3C)CC1 ZINC000892687846 591130953 /nfs/dbraw/zinc/13/09/53/591130953.db2.gz YFPBSRNKMFPJGL-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000892789073 591179164 /nfs/dbraw/zinc/17/91/64/591179164.db2.gz KRVNGYPDBQWHOU-MOPGFXCFSA-N 1 3 342.487 1.875 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892807985 591187065 /nfs/dbraw/zinc/18/70/65/591187065.db2.gz GPBLGYIAAKNWJM-QZTJIDSGSA-N 1 3 330.476 1.873 20 0 EDADHO C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC000891766435 591216824 /nfs/dbraw/zinc/21/68/24/591216824.db2.gz UDQJOCRERCFCLH-DRZSPHRISA-N 1 3 334.386 1.415 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944348 591234650 /nfs/dbraw/zinc/23/46/50/591234650.db2.gz PAMCAPCLKMTUNP-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO COC(=O)c1sccc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000892950751 591236951 /nfs/dbraw/zinc/23/69/51/591236951.db2.gz GRRWZNNUFDABCR-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)c1sccc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000892950751 591236954 /nfs/dbraw/zinc/23/69/54/591236954.db2.gz GRRWZNNUFDABCR-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1(F)F ZINC000894332733 591281393 /nfs/dbraw/zinc/28/13/93/591281393.db2.gz QNZZTPVEANNPCE-XGUBFFRZSA-N 1 3 346.418 1.398 20 0 EDADHO CCC(CC)[NH2+]CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000895851397 591287850 /nfs/dbraw/zinc/28/78/50/591287850.db2.gz OSRSCCGBOXBBLC-MRXNPFEDSA-N 1 3 326.485 1.317 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895855454 591288473 /nfs/dbraw/zinc/28/84/73/591288473.db2.gz SBNXOGLIWIYZGW-OAGGEKHMSA-N 1 3 337.508 1.580 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894987163 591512613 /nfs/dbraw/zinc/51/26/13/591512613.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894987163 591512615 /nfs/dbraw/zinc/51/26/15/591512615.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 1 3 340.512 1.347 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897548716 591547629 /nfs/dbraw/zinc/54/76/29/591547629.db2.gz MQSTYIDZCJBVQS-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897548716 591547631 /nfs/dbraw/zinc/54/76/31/591547631.db2.gz MQSTYIDZCJBVQS-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCN3C(C)(C)C)CC2)CC1 ZINC000896628271 591557555 /nfs/dbraw/zinc/55/75/55/591557555.db2.gz MPXNFAOYRSJVSO-KRWDZBQOSA-N 1 3 336.524 1.345 20 0 EDADHO CCC1([NH+]2CCC2)CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000899554084 591846738 /nfs/dbraw/zinc/84/67/38/591846738.db2.gz WQLCJFMMLLDUGK-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900177761 591939570 /nfs/dbraw/zinc/93/95/70/591939570.db2.gz UAWLVEIEQUVCDZ-UHFFFAOYSA-N 1 3 330.432 1.012 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316701 591976576 /nfs/dbraw/zinc/97/65/76/591976576.db2.gz BXQZDLZJRKOXJS-LSDHHAIUSA-N 1 3 330.476 1.732 20 0 EDADHO CCOC1CC(CN[C@H]2CC[NH2+]CC(C)(C)C2)(N2CCOCC2)C1 ZINC000902378291 591984370 /nfs/dbraw/zinc/98/43/70/591984370.db2.gz YIDLIBNAFTXKEJ-MUYFXNHWSA-N 1 3 339.524 1.624 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363864 591986604 /nfs/dbraw/zinc/98/66/04/591986604.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 1 3 331.504 1.773 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)c2ccnn2CCN(C)C)([NH+](C)C)C1 ZINC000900320311 591990293 /nfs/dbraw/zinc/99/02/93/591990293.db2.gz DRNAOYSORFHICC-MAUKXSAKSA-N 1 3 335.496 1.685 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996506 /nfs/dbraw/zinc/99/65/06/591996506.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996507 /nfs/dbraw/zinc/99/65/07/591996507.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@H]1CCCc3nn(C)cc31)C2 ZINC000903117109 592123338 /nfs/dbraw/zinc/12/33/38/592123338.db2.gz UNQRDVBYOVCOLD-DZRGKWQISA-N 1 3 332.492 1.867 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@H]1CCCc3nn(C)cc31)C2 ZINC000903117109 592123339 /nfs/dbraw/zinc/12/33/39/592123339.db2.gz UNQRDVBYOVCOLD-DZRGKWQISA-N 1 3 332.492 1.867 20 0 EDADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000900840363 592143666 /nfs/dbraw/zinc/14/36/66/592143666.db2.gz KCNHRIIOWACNFX-WCVJEAGWSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@@H](C(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000900840363 592143667 /nfs/dbraw/zinc/14/36/67/592143667.db2.gz KCNHRIIOWACNFX-WCVJEAGWSA-N 1 3 340.512 1.068 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(CO)COCCN1C ZINC000903278823 592150571 /nfs/dbraw/zinc/15/05/71/592150571.db2.gz HPDCMLCHLWDVIR-MISYRCLQSA-N 1 3 347.503 1.180 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(CO)COCCN1C ZINC000903278823 592150572 /nfs/dbraw/zinc/15/05/72/592150572.db2.gz HPDCMLCHLWDVIR-MISYRCLQSA-N 1 3 347.503 1.180 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 ZINC000903562004 592210600 /nfs/dbraw/zinc/21/06/00/592210600.db2.gz UOHPBAXMGLFHCY-JTDSTZFVSA-N 1 3 347.459 1.948 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)c2ccccc2O1 ZINC000901059813 592219783 /nfs/dbraw/zinc/21/97/83/592219783.db2.gz CWPXYHYFJJTFKP-KXBFYZLASA-N 1 3 347.459 1.189 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c2ccccc2O1 ZINC000901059813 592219785 /nfs/dbraw/zinc/21/97/85/592219785.db2.gz CWPXYHYFJJTFKP-KXBFYZLASA-N 1 3 347.459 1.189 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(N)nn1 ZINC000904342637 592234411 /nfs/dbraw/zinc/23/44/11/592234411.db2.gz LXGHDZZPPPBIIV-UHFFFAOYSA-N 1 3 346.523 1.687 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657399 592239108 /nfs/dbraw/zinc/23/91/08/592239108.db2.gz YHLXVMFDEODKBD-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO [NH3+]CCN1CCC(NCc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000904362854 592241242 /nfs/dbraw/zinc/24/12/42/592241242.db2.gz TZGJNIJFMWUYNH-UHFFFAOYSA-N 1 3 332.370 1.535 20 0 EDADHO C[C@]1(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378929 592245043 /nfs/dbraw/zinc/24/50/43/592245043.db2.gz MWGFNTZATSUOJN-APWZRJJASA-N 1 3 346.523 1.388 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904411968 592251285 /nfs/dbraw/zinc/25/12/85/592251285.db2.gz QTPFAHKAWQFLAF-XJKSGUPXSA-N 1 3 336.480 1.868 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904530488 592280114 /nfs/dbraw/zinc/28/01/14/592280114.db2.gz NDQWCKONHRSBIX-MHORFTMASA-N 1 3 344.459 1.564 20 0 EDADHO O=C1C[C@@H](c2ccccc2)N(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723304 592283647 /nfs/dbraw/zinc/28/36/47/592283647.db2.gz UXZFHJPZZUYWHA-MSOLQXFVSA-N 1 3 343.471 1.708 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713523 592291312 /nfs/dbraw/zinc/29/13/12/592291312.db2.gz ULTPLJBIGOLKIM-JHJVBQTASA-N 1 3 337.386 1.273 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761537 592308048 /nfs/dbraw/zinc/30/80/48/592308048.db2.gz VSUZSICIEURFNE-AWEZNQCLSA-N 1 3 325.482 1.286 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761537 592308053 /nfs/dbraw/zinc/30/80/53/592308053.db2.gz VSUZSICIEURFNE-AWEZNQCLSA-N 1 3 325.482 1.286 20 0 EDADHO C[C@@]1(C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)COC(=O)N1 ZINC000903787180 592323002 /nfs/dbraw/zinc/32/30/02/592323002.db2.gz VEHVNNJXNNNLKF-RDJZCZTQSA-N 1 3 337.464 1.356 20 0 EDADHO CCn1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000905004486 592364089 /nfs/dbraw/zinc/36/40/89/592364089.db2.gz MKRNCRGUIDZXCJ-IYBDPMFKSA-N 1 3 332.452 1.336 20 0 EDADHO CCn1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000905004486 592364092 /nfs/dbraw/zinc/36/40/92/592364092.db2.gz MKRNCRGUIDZXCJ-IYBDPMFKSA-N 1 3 332.452 1.336 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNCCOc2ccc(F)cc2F)cnn1C ZINC000903922609 592378444 /nfs/dbraw/zinc/37/84/44/592378444.db2.gz AOBPXYPIROXBLH-CYBMUJFWSA-N 1 3 338.402 1.793 20 0 EDADHO COc1ccc2c(c1)OC[C@H](NC[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903925237 592380094 /nfs/dbraw/zinc/38/00/94/592380094.db2.gz CHUOVFNEWCIZNB-WMLDXEAASA-N 1 3 344.459 1.448 20 0 EDADHO CC(C)[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927809 592381411 /nfs/dbraw/zinc/38/14/11/592381411.db2.gz UDHLUITWVUXEHD-WBVHZDCISA-N 1 3 335.496 1.870 20 0 EDADHO COc1ccc(CC[NH2+]C[C@H](CN)Cc2cnn(C)c2C)cc1OC ZINC000903926450 592381420 /nfs/dbraw/zinc/38/14/20/592381420.db2.gz SGPCDZVPYRBALB-INIZCTEOSA-N 1 3 346.475 1.695 20 0 EDADHO COc1ccc(CCNC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903926450 592381425 /nfs/dbraw/zinc/38/14/25/592381425.db2.gz SGPCDZVPYRBALB-INIZCTEOSA-N 1 3 346.475 1.695 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903931428 592384332 /nfs/dbraw/zinc/38/43/32/592384332.db2.gz DORGOZUPPSKYIO-CRAIPNDOSA-N 1 3 326.448 1.261 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1CN1CCCCC1 ZINC000905340330 592510986 /nfs/dbraw/zinc/51/09/86/592510986.db2.gz MNNKPAPNDCIPKL-INIZCTEOSA-N 1 3 329.510 1.266 20 0 EDADHO FC(F)(F)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nn1 ZINC000905699745 592614048 /nfs/dbraw/zinc/61/40/48/592614048.db2.gz DAYOENLWKKMKGX-BETUJISGSA-N 1 3 341.381 1.900 20 0 EDADHO FC(F)(F)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nn1 ZINC000905699745 592614050 /nfs/dbraw/zinc/61/40/50/592614050.db2.gz DAYOENLWKKMKGX-BETUJISGSA-N 1 3 341.381 1.900 20 0 EDADHO CC(C)C[C@@H](N)C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000906097038 592741354 /nfs/dbraw/zinc/74/13/54/592741354.db2.gz LIPYLWLQNUQZRQ-HUUCEWRRSA-N 1 3 333.480 1.264 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000907747532 592787472 /nfs/dbraw/zinc/78/74/72/592787472.db2.gz UDJKEKDZLPBZAA-SFHVURJKSA-N 1 3 338.540 1.735 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000910281013 592819720 /nfs/dbraw/zinc/81/97/20/592819720.db2.gz GTIQCLIZMNBSGZ-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CC[N@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H](C)C1 ZINC000910281013 592819721 /nfs/dbraw/zinc/81/97/21/592819721.db2.gz GTIQCLIZMNBSGZ-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907951837 592854893 /nfs/dbraw/zinc/85/48/93/592854893.db2.gz APQLNPIPAXEPSG-KRWDZBQOSA-N 1 3 347.507 1.972 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000907951837 592854895 /nfs/dbraw/zinc/85/48/95/592854895.db2.gz APQLNPIPAXEPSG-KRWDZBQOSA-N 1 3 347.507 1.972 20 0 EDADHO N[C@@H](CC(=O)N1CCCC[C@H]1C[NH3+])Cc1cc(F)c(F)cc1F ZINC000911721872 592988519 /nfs/dbraw/zinc/98/85/19/592988519.db2.gz MQJVJLCZWQXNPF-NEPJUHHUSA-N 1 3 329.366 1.704 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000809615301 593350284 /nfs/dbraw/zinc/35/02/84/593350284.db2.gz ADXJCYLGVBSAFT-KGLIPLIRSA-N 1 3 326.510 1.560 20 0 EDADHO COCCCN(C(=S)NCCC[NH+](C)C)C1CCN(C)CC1 ZINC000811715771 593476722 /nfs/dbraw/zinc/47/67/22/593476722.db2.gz BEMVHQCUBHDACU-UHFFFAOYSA-N 1 3 330.542 1.245 20 0 EDADHO C[C@@H](CNC(=O)/C=C/c1ccc(OCCN(C)C)cc1)C[NH+](C)C ZINC000816833202 593552591 /nfs/dbraw/zinc/55/25/91/593552591.db2.gz ARAGLALTKMRDFJ-KXKDPZRNSA-N 1 3 333.476 1.954 20 0 EDADHO CN1C[C@H]2CCN(C(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)[C@H]2C1 ZINC000816953421 593562969 /nfs/dbraw/zinc/56/29/69/593562969.db2.gz HCHQLOAEKIHRLI-NQPDJEJGSA-N 1 3 343.471 1.803 20 0 EDADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2)C1=O ZINC000817929511 593649790 /nfs/dbraw/zinc/64/97/90/593649790.db2.gz PLBVDBUBUUIPTE-FRQCXROJSA-N 1 3 342.443 1.881 20 0 EDADHO CNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)cc1 ZINC000820806457 593894417 /nfs/dbraw/zinc/89/44/17/593894417.db2.gz IVIQVDULEYOWHQ-AYHJJNSGSA-N 1 3 331.460 1.778 20 0 EDADHO COC(=O)[C@@H]1[C@H](CN2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869552 593911306 /nfs/dbraw/zinc/91/13/06/593911306.db2.gz WZHSHCSVEQQBCV-GJZGRUSLSA-N 1 3 346.418 1.618 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1sc(N(C)C)nc1Cl ZINC000823123638 594156906 /nfs/dbraw/zinc/15/69/06/594156906.db2.gz DZJVRUHQKNEQRR-UHFFFAOYSA-N 1 3 347.916 1.428 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)CC1 ZINC000831490788 594641895 /nfs/dbraw/zinc/64/18/95/594641895.db2.gz PFSWUBSRKCGWEA-GOSISDBHSA-N 1 3 334.439 1.857 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000832221192 594736399 /nfs/dbraw/zinc/73/63/99/594736399.db2.gz CDGIRYGKLDJLIV-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000841050430 594844509 /nfs/dbraw/zinc/84/45/09/594844509.db2.gz GYMISHBDVQKDDK-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO O=C1[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386039 595096176 /nfs/dbraw/zinc/09/61/76/595096176.db2.gz BIKBHBADZIHIHL-XYJFISCASA-N 1 3 335.492 1.478 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674360 595298651 /nfs/dbraw/zinc/29/86/51/595298651.db2.gz NDQPFDJSCCCBQK-QGZVFWFLSA-N 1 3 333.480 1.046 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222939 595307125 /nfs/dbraw/zinc/30/71/25/595307125.db2.gz NTKKJCNOYSTNIT-JKSUJKDBSA-N 1 3 346.475 1.521 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000848073025 595315174 /nfs/dbraw/zinc/31/51/74/595315174.db2.gz IBMXXBOEKZQOAI-BBRMVZONSA-N 1 3 337.464 1.003 20 0 EDADHO CN(C)CCOc1cccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)c1 ZINC000844910727 595412016 /nfs/dbraw/zinc/41/20/16/595412016.db2.gz XSKOJCIKHCXFTD-KSSFIOAISA-N 1 3 344.415 1.164 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOCC(F)(F)F)CC2)CC1 ZINC000847588332 595453258 /nfs/dbraw/zinc/45/32/58/595453258.db2.gz MDPSXOLKQAQEEB-UHFFFAOYSA-N 1 3 337.386 1.793 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064288 595477019 /nfs/dbraw/zinc/47/70/19/595477019.db2.gz MBVVMTCFCHFVJJ-KRWDZBQOSA-N 1 3 326.448 1.971 20 0 EDADHO CC[NH+]1CCC(CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508982 595553987 /nfs/dbraw/zinc/55/39/87/595553987.db2.gz KMZLHKSVACKLFX-QZTJIDSGSA-N 1 3 347.507 1.304 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554622 /nfs/dbraw/zinc/55/46/22/595554622.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 1 3 347.507 1.302 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554624 /nfs/dbraw/zinc/55/46/24/595554624.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 1 3 347.507 1.302 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852857989 595579230 /nfs/dbraw/zinc/57/92/30/595579230.db2.gz LZZZPPIRXPNMSL-KRWDZBQOSA-N 1 3 344.459 1.638 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852858279 595580074 /nfs/dbraw/zinc/58/00/74/595580074.db2.gz WUKTWTQECWADQZ-RHSMWYFYSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852858279 595580078 /nfs/dbraw/zinc/58/00/78/595580078.db2.gz WUKTWTQECWADQZ-RHSMWYFYSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870531 595590057 /nfs/dbraw/zinc/59/00/57/595590057.db2.gz DGWXDCIJHKGPDA-KBMXLJTQSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870531 595590061 /nfs/dbraw/zinc/59/00/61/595590061.db2.gz DGWXDCIJHKGPDA-KBMXLJTQSA-N 1 3 330.432 1.117 20 0 EDADHO CC(C)n1cc(C2=CCC[N@H+](C[C@@H](O)CN3CCCC3)CC2)nn1 ZINC000852134438 596057145 /nfs/dbraw/zinc/05/71/45/596057145.db2.gz ZPGWZWJEYAVVED-KRWDZBQOSA-N 1 3 333.480 1.795 20 0 EDADHO CC(C)n1cc(C2=CCC[N@@H+](C[C@@H](O)CN3CCCC3)CC2)nn1 ZINC000852134438 596057151 /nfs/dbraw/zinc/05/71/51/596057151.db2.gz ZPGWZWJEYAVVED-KRWDZBQOSA-N 1 3 333.480 1.795 20 0 EDADHO CC1(C)CC[C@@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)OC1 ZINC000866668702 596285871 /nfs/dbraw/zinc/28/58/71/596285871.db2.gz IMKRSJNSCUIMCW-XHSDSOJGSA-N 1 3 337.464 1.449 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710970 596303796 /nfs/dbraw/zinc/30/37/96/596303796.db2.gz YLVLQPGCEJFKNN-MTSZKFMLSA-N 1 3 337.464 1.449 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000866711334 596305159 /nfs/dbraw/zinc/30/51/59/596305159.db2.gz IGOBIUQRJBOVSQ-OKZBNKHCSA-N 1 3 327.428 1.931 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870879584 596387535 /nfs/dbraw/zinc/38/75/35/596387535.db2.gz DMUUTCLSUMUAAU-WOVMCDHWSA-N 1 3 346.475 1.112 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907497 596398935 /nfs/dbraw/zinc/39/89/35/596398935.db2.gz WSNAKSDRRNSTNM-RISCZKNCSA-N 1 3 334.489 1.823 20 0 EDADHO CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000869237562 596456919 /nfs/dbraw/zinc/45/69/19/596456919.db2.gz USMIDRXPWNLXTC-VUGNNNGISA-N 1 3 325.497 1.580 20 0 EDADHO CCOC1CC2(C[C@H]2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000869237562 596456923 /nfs/dbraw/zinc/45/69/23/596456923.db2.gz USMIDRXPWNLXTC-VUGNNNGISA-N 1 3 325.497 1.580 20 0 EDADHO Cn1ncc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cnc21 ZINC000865496348 596591405 /nfs/dbraw/zinc/59/14/05/596591405.db2.gz VIQSXBZUXXCXNG-SJORKVTESA-N 1 3 329.448 1.436 20 0 EDADHO CC(=O)c1ccccc1C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000870020700 596711948 /nfs/dbraw/zinc/71/19/48/596711948.db2.gz FDVXYBMINIKRLP-HZPDHXFCSA-N 1 3 331.460 1.701 20 0 EDADHO COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[O-] ZINC000870023637 596714017 /nfs/dbraw/zinc/71/40/17/596714017.db2.gz GFZVIFIVSUNVSX-ZIAGYGMSSA-N 1 3 335.448 1.212 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821888 596715296 /nfs/dbraw/zinc/71/52/96/596715296.db2.gz ASBCDFQKKDJAOY-WBVHZDCISA-N 1 3 345.553 1.888 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCOC1 ZINC000872080037 596801703 /nfs/dbraw/zinc/80/17/03/596801703.db2.gz RXISVKDXFFKNGI-QZTJIDSGSA-N 1 3 339.524 1.578 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000876098239 597089106 /nfs/dbraw/zinc/08/91/06/597089106.db2.gz NLSPPECNRSOTLW-IRXDYDNUSA-N 1 3 340.512 1.326 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000873310721 597253021 /nfs/dbraw/zinc/25/30/21/597253021.db2.gz NDYUVAMVNFUUIW-PWSUYJOCSA-N 1 3 348.373 1.046 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC[C@@H](C)C1 ZINC000876723018 597305923 /nfs/dbraw/zinc/30/59/23/597305923.db2.gz KSLMXIURWOHWOP-GDBMZVCRSA-N 1 3 333.480 1.578 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146628 597442729 /nfs/dbraw/zinc/44/27/29/597442729.db2.gz WSMGISNCSWWDMC-HUUCEWRRSA-N 1 3 336.867 1.986 20 0 EDADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](N)Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236043 597473303 /nfs/dbraw/zinc/47/33/03/597473303.db2.gz UOXWBPRWWVPZTR-GBESFXJTSA-N 1 3 339.439 1.518 20 0 EDADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000877247742 597478270 /nfs/dbraw/zinc/47/82/70/597478270.db2.gz WIQKZIHIBDQQJM-OKZBNKHCSA-N 1 3 331.460 1.521 20 0 EDADHO CN1CCN(C2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000877251665 597479971 /nfs/dbraw/zinc/47/99/71/597479971.db2.gz TVAOJKWCZBHVAQ-UHFFFAOYSA-N 1 3 342.487 1.184 20 0 EDADHO NS(=O)(=O)c1cccc(CNCC2CC[NH+](CC3CC3)CC2)c1 ZINC000877642718 597543684 /nfs/dbraw/zinc/54/36/84/597543684.db2.gz RPRBZHVXALPSIR-UHFFFAOYSA-N 1 3 337.489 1.546 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103802 597651351 /nfs/dbraw/zinc/65/13/51/597651351.db2.gz GLUYJPKNCAWLDS-CQSZACIVSA-N 1 3 338.521 1.800 20 0 EDADHO CC(C)(O)[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C(C)(C)O)C3)COC2)C1 ZINC000880148057 597857474 /nfs/dbraw/zinc/85/74/74/597857474.db2.gz PXLSAPLZUWLYSS-HZPDHXFCSA-N 1 3 340.508 1.189 20 0 EDADHO CC(C)(O)[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](C(C)(C)O)C3)COC2)C1 ZINC000880148057 597857476 /nfs/dbraw/zinc/85/74/76/597857476.db2.gz PXLSAPLZUWLYSS-HZPDHXFCSA-N 1 3 340.508 1.189 20 0 EDADHO COC(=O)[C@@]1(O)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000880565202 597965691 /nfs/dbraw/zinc/96/56/91/597965691.db2.gz IZZJEEOGKSMLML-LJQANCHMSA-N 1 3 332.444 1.782 20 0 EDADHO N[C@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000884023638 597971010 /nfs/dbraw/zinc/97/10/10/597971010.db2.gz RQLYIFCHCRWJGL-HZPDHXFCSA-N 1 3 331.416 1.661 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC2CCN(CCOC)CC2)c1 ZINC000884199127 598025394 /nfs/dbraw/zinc/02/53/94/598025394.db2.gz PPSXCMOJAOFNID-UHFFFAOYSA-N 1 3 335.448 1.125 20 0 EDADHO COCC[C@@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000884207138 598028902 /nfs/dbraw/zinc/02/89/02/598028902.db2.gz NGQRCUMJPJFGJH-OAHLLOKOSA-N 1 3 337.489 1.846 20 0 EDADHO C[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])N1CCC(C)CC1 ZINC000884502857 598123487 /nfs/dbraw/zinc/12/34/87/598123487.db2.gz VASMBCDNCLDBDS-MRXNPFEDSA-N 1 3 340.512 1.201 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914268303 695319097 /nfs/dbraw/zinc/31/90/97/695319097.db2.gz WPUGWNLBXDYZBH-ZACQAIPSSA-N 1 3 341.521 1.218 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914268303 695319100 /nfs/dbraw/zinc/31/91/00/695319100.db2.gz WPUGWNLBXDYZBH-ZACQAIPSSA-N 1 3 341.521 1.218 20 0 EDADHO C[C@H](CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)[NH+]1CCCCC1 ZINC000914361099 695374127 /nfs/dbraw/zinc/37/41/27/695374127.db2.gz GICGWQFOUMRSMA-SJORKVTESA-N 1 3 343.537 1.656 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992926706 695457654 /nfs/dbraw/zinc/45/76/54/695457654.db2.gz QFTKVMDEYLMCQC-YTQUADARSA-N 1 3 345.487 1.571 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCc1cnn(C)c1 ZINC000993759474 696352325 /nfs/dbraw/zinc/35/23/25/696352325.db2.gz LHSNJUIKJXPZCX-CRAIPNDOSA-N 1 3 347.507 1.274 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489180 696931313 /nfs/dbraw/zinc/93/13/13/696931313.db2.gz TXFSSSZCJNMVNY-MAUKXSAKSA-N 1 3 333.476 1.977 20 0 EDADHO CC1(C)CO[C@@H](CN2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001031675140 697484751 /nfs/dbraw/zinc/48/47/51/697484751.db2.gz WVLNVYRBCWFIGP-SJORKVTESA-N 1 3 335.492 1.191 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688862 697527543 /nfs/dbraw/zinc/52/75/43/697527543.db2.gz MUDSRSFJVITTLL-RBUKOAKNSA-N 1 3 343.471 1.406 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688862 697527545 /nfs/dbraw/zinc/52/75/45/697527545.db2.gz MUDSRSFJVITTLL-RBUKOAKNSA-N 1 3 343.471 1.406 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713748 697735568 /nfs/dbraw/zinc/73/55/68/697735568.db2.gz DXRXGQRPSQAGSC-GOSISDBHSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCc1cncc(F)c1 ZINC000939055499 699116479 /nfs/dbraw/zinc/11/64/79/699116479.db2.gz ZMURZYDGPGBBQT-DYVFJYSZSA-N 1 3 334.439 1.499 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136871 699223350 /nfs/dbraw/zinc/22/33/50/699223350.db2.gz CPIVSBITQCPKJT-NVXWUHKLSA-N 1 3 337.508 1.581 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cnn(C)c1 ZINC000939256867 699434088 /nfs/dbraw/zinc/43/40/88/699434088.db2.gz FTSNBPDRQNAVPX-YOEHRIQHSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939257085 699434229 /nfs/dbraw/zinc/43/42/29/699434229.db2.gz JFQSHHGXKDQPTQ-KDOFPFPSSA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NCc3cncn3C)C2)CC1 ZINC000939454371 699601036 /nfs/dbraw/zinc/60/10/36/699601036.db2.gz RJAXGFIXRDFHRA-MAUKXSAKSA-N 1 3 347.507 1.477 20 0 EDADHO CCN1CC(N2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941633992 701601245 /nfs/dbraw/zinc/60/12/45/701601245.db2.gz AYTHYPBYENGPHK-HXUWFJFHSA-N 1 3 344.503 1.312 20 0 EDADHO Cc1nsc(C)c1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547155 699689125 /nfs/dbraw/zinc/68/91/25/699689125.db2.gz WFLZFEJGBBGIFM-MLGOLLRUSA-N 1 3 348.516 1.792 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666260 701620700 /nfs/dbraw/zinc/62/07/00/701620700.db2.gz SBZAIMOPCMLLGJ-QGZVFWFLSA-N 1 3 348.535 1.203 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666260 701620701 /nfs/dbraw/zinc/62/07/01/701620701.db2.gz SBZAIMOPCMLLGJ-QGZVFWFLSA-N 1 3 348.535 1.203 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1cnn(C)c1 ZINC000939809774 699958129 /nfs/dbraw/zinc/95/81/29/699958129.db2.gz JLGSFDVZHARVNR-RDJZCZTQSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000940179021 700312974 /nfs/dbraw/zinc/31/29/74/700312974.db2.gz PNHPPJRRNVPMTD-MRXNPFEDSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1nccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995058314 700439445 /nfs/dbraw/zinc/43/94/45/700439445.db2.gz XFLWLHLBNLPCOG-HOTGVXAUSA-N 1 3 347.507 1.669 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000940328422 700507100 /nfs/dbraw/zinc/50/71/00/700507100.db2.gz JUFHQYMOQWRQRP-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000940328422 700507102 /nfs/dbraw/zinc/50/71/02/700507102.db2.gz JUFHQYMOQWRQRP-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000941186208 701390893 /nfs/dbraw/zinc/39/08/93/701390893.db2.gz FSXOWRIIXQTALQ-QGZVFWFLSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)CC1(C)C ZINC000941186208 701390895 /nfs/dbraw/zinc/39/08/95/701390895.db2.gz FSXOWRIIXQTALQ-QGZVFWFLSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170821 706600379 /nfs/dbraw/zinc/60/03/79/706600379.db2.gz SRNLBXLRBJKGIX-NVXWUHKLSA-N 1 3 348.516 1.874 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438506 701540887 /nfs/dbraw/zinc/54/08/87/701540887.db2.gz ZRNHYHLZBIOHSO-SFHVURJKSA-N 1 3 336.524 1.201 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825118 702096229 /nfs/dbraw/zinc/09/62/29/702096229.db2.gz QUNBILUMLNXJQO-SJORKVTESA-N 1 3 345.491 1.089 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001032186425 702325346 /nfs/dbraw/zinc/32/53/46/702325346.db2.gz QBYPHXSOZPNUQS-GJZGRUSLSA-N 1 3 329.435 1.812 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001032186425 702325353 /nfs/dbraw/zinc/32/53/53/702325353.db2.gz QBYPHXSOZPNUQS-GJZGRUSLSA-N 1 3 329.435 1.812 20 0 EDADHO Cc1nn(C)cc1CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167354 702405913 /nfs/dbraw/zinc/40/59/13/702405913.db2.gz DBJPZQFUOKLOIO-YOEHRIQHSA-N 1 3 345.491 1.151 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)nn1C ZINC000996464473 702791846 /nfs/dbraw/zinc/79/18/46/702791846.db2.gz MYDKTZURWYYXBP-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)nn1C ZINC000996464473 702791847 /nfs/dbraw/zinc/79/18/47/702791847.db2.gz MYDKTZURWYYXBP-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO Cc1nocc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476805 702808614 /nfs/dbraw/zinc/80/86/14/702808614.db2.gz HMLURSKLUQGUIA-MAUKXSAKSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1nocc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996476805 702808617 /nfs/dbraw/zinc/80/86/17/702808617.db2.gz HMLURSKLUQGUIA-MAUKXSAKSA-N 1 3 346.475 1.938 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996520571 702856119 /nfs/dbraw/zinc/85/61/19/702856119.db2.gz SQXFQWVTWXHKIT-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996520571 702856122 /nfs/dbraw/zinc/85/61/22/702856122.db2.gz SQXFQWVTWXHKIT-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996663626 702961539 /nfs/dbraw/zinc/96/15/39/702961539.db2.gz HXTJMGOIUWFDHM-HNNXBMFYSA-N 1 3 345.491 1.911 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669520 702970870 /nfs/dbraw/zinc/97/08/70/702970870.db2.gz GPIVLIUXCZONJY-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669802 702971328 /nfs/dbraw/zinc/97/13/28/702971328.db2.gz IAKQUUSAFXLGNB-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996689325 702986734 /nfs/dbraw/zinc/98/67/34/702986734.db2.gz MCCWOQRTPOVRFG-KRWDZBQOSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996689325 702986735 /nfs/dbraw/zinc/98/67/35/702986735.db2.gz MCCWOQRTPOVRFG-KRWDZBQOSA-N 1 3 345.491 1.740 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2cnn(CC)c2)CC1)N(C)C ZINC000996711665 703006373 /nfs/dbraw/zinc/00/63/73/703006373.db2.gz KEPGERWVSJXPHD-QGZVFWFLSA-N 1 3 335.496 1.366 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)n1 ZINC000996716079 703014761 /nfs/dbraw/zinc/01/47/61/703014761.db2.gz IEDXHKMXPITICS-ZWKOTPCHSA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)n1 ZINC000996716079 703014762 /nfs/dbraw/zinc/01/47/62/703014762.db2.gz IEDXHKMXPITICS-ZWKOTPCHSA-N 1 3 345.491 1.518 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730405 703027231 /nfs/dbraw/zinc/02/72/31/703027231.db2.gz SFUQGLHSRPMHLP-KRWDZBQOSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)o1 ZINC000997115362 703369148 /nfs/dbraw/zinc/36/91/48/703369148.db2.gz MGVUVWCGWSBUCU-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1nocc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997115714 703369776 /nfs/dbraw/zinc/36/97/76/703369776.db2.gz QEUMKPQOUDPAKS-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC000997298390 703556460 /nfs/dbraw/zinc/55/64/60/703556460.db2.gz IUQWRSDUPYBMGL-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC000997298390 703556462 /nfs/dbraw/zinc/55/64/62/703556462.db2.gz IUQWRSDUPYBMGL-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1)[NH+](C)C ZINC001032459470 703639315 /nfs/dbraw/zinc/63/93/15/703639315.db2.gz DNPWCBLFHGPLFV-BZSNNMDCSA-N 1 3 337.508 1.674 20 0 EDADHO C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459758 704453521 /nfs/dbraw/zinc/45/35/21/704453521.db2.gz WNJVFLNWADGJOX-DOTOQJQBSA-N 1 3 337.508 1.555 20 0 EDADHO C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459758 704453522 /nfs/dbraw/zinc/45/35/22/704453522.db2.gz WNJVFLNWADGJOX-DOTOQJQBSA-N 1 3 337.508 1.555 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000997823326 704744956 /nfs/dbraw/zinc/74/49/56/704744956.db2.gz LEFLEMDBOZJKLJ-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000997831432 704751490 /nfs/dbraw/zinc/75/14/90/704751490.db2.gz RTQOIXGRWCRKEX-KDOFPFPSSA-N 1 3 345.491 1.706 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)N(C)C ZINC000997843872 704759436 /nfs/dbraw/zinc/75/94/36/704759436.db2.gz JPXHQZKSTGQJIQ-YJBOKZPZSA-N 1 3 347.507 1.952 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(OC)nn2)CC1)N(C)C ZINC000997855538 704764273 /nfs/dbraw/zinc/76/42/73/704764273.db2.gz MXSNGMCTJQHFJS-MRXNPFEDSA-N 1 3 349.479 1.154 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000998067458 705280203 /nfs/dbraw/zinc/28/02/03/705280203.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC000998067458 705280207 /nfs/dbraw/zinc/28/02/07/705280207.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 1 3 335.492 1.573 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080207 705304394 /nfs/dbraw/zinc/30/43/94/705304394.db2.gz YQBRDFZUBXQTDZ-IUODEOHRSA-N 1 3 337.493 1.064 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080207 705304398 /nfs/dbraw/zinc/30/43/98/705304398.db2.gz YQBRDFZUBXQTDZ-IUODEOHRSA-N 1 3 337.493 1.064 20 0 EDADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000998268562 705644514 /nfs/dbraw/zinc/64/45/14/705644514.db2.gz HJHBVBBHZQEEBC-PKOBYXMFSA-N 1 3 335.492 1.337 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000998269320 705652078 /nfs/dbraw/zinc/65/20/78/705652078.db2.gz MIAFERAHANLVIQ-UHFFFAOYSA-N 1 3 336.505 1.876 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)ccn1 ZINC000998549267 705985261 /nfs/dbraw/zinc/98/52/61/705985261.db2.gz KSHHSRQBOKOLSN-UYSNPLJNSA-N 1 3 332.448 1.263 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC000998763844 706198318 /nfs/dbraw/zinc/19/83/18/706198318.db2.gz PMUFWKIBQYCTJY-VJFUWPCTSA-N 1 3 345.491 1.737 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000998763844 706198319 /nfs/dbraw/zinc/19/83/19/706198319.db2.gz PMUFWKIBQYCTJY-VJFUWPCTSA-N 1 3 345.491 1.737 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000998868391 706298237 /nfs/dbraw/zinc/29/82/37/706298237.db2.gz XHDDTQXEQIJHFK-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000998868391 706298242 /nfs/dbraw/zinc/29/82/42/706298242.db2.gz XHDDTQXEQIJHFK-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999341532 706853498 /nfs/dbraw/zinc/85/34/98/706853498.db2.gz HELLWILCVMYTRR-UHFFFAOYSA-N 1 3 331.464 1.206 20 0 EDADHO CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cn1 ZINC000999373606 706867858 /nfs/dbraw/zinc/86/78/58/706867858.db2.gz QUWOQPDZSRVYRW-ROUUACIJSA-N 1 3 347.507 1.366 20 0 EDADHO CCc1onc(C)c1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362323 706875767 /nfs/dbraw/zinc/87/57/67/706875767.db2.gz AKJUVMAXAUJBIH-YJBOKZPZSA-N 1 3 348.491 1.966 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362243 706875773 /nfs/dbraw/zinc/87/57/73/706875773.db2.gz AJABAFSBNZXSBT-FUHWJXTLSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999469336 706978655 /nfs/dbraw/zinc/97/86/55/706978655.db2.gz KOTJKFLQCRPFPR-UHFFFAOYSA-N 1 3 328.416 1.740 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689321 707245339 /nfs/dbraw/zinc/24/53/39/707245339.db2.gz RNEPXCDIVBEHTF-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689321 707245343 /nfs/dbraw/zinc/24/53/43/707245343.db2.gz RNEPXCDIVBEHTF-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033295915 707405265 /nfs/dbraw/zinc/40/52/65/707405265.db2.gz OSWDPSBSRCNHSD-MOPGFXCFSA-N 1 3 349.519 1.820 20 0 EDADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033295915 707405270 /nfs/dbraw/zinc/40/52/70/707405270.db2.gz OSWDPSBSRCNHSD-MOPGFXCFSA-N 1 3 349.519 1.820 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033358894 707684229 /nfs/dbraw/zinc/68/42/29/707684229.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 1 3 347.507 1.226 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033358894 707684231 /nfs/dbraw/zinc/68/42/31/707684231.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 1 3 347.507 1.226 20 0 EDADHO C[C@@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931346 707693632 /nfs/dbraw/zinc/69/36/32/707693632.db2.gz WOVNXZWRXKFCMB-RHSMWYFYSA-N 1 3 348.495 1.016 20 0 EDADHO COCCN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421720 707835797 /nfs/dbraw/zinc/83/57/97/707835797.db2.gz GUNBNBHHBAJZTL-SFHVURJKSA-N 1 3 333.476 1.583 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001033225448 707853681 /nfs/dbraw/zinc/85/36/81/707853681.db2.gz HDOGONOZRYPUHS-IAGOWNOFSA-N 1 3 335.492 1.717 20 0 EDADHO CN(C(=O)[C@H]1CN2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423900 708941807 /nfs/dbraw/zinc/94/18/07/708941807.db2.gz GOZTUYFMTICTPY-ZWKOTPCHSA-N 1 3 335.492 1.573 20 0 EDADHO Cc1nn(C)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034136167 709407206 /nfs/dbraw/zinc/40/72/06/709407206.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1nn(C)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034136167 709407208 /nfs/dbraw/zinc/40/72/08/709407208.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 1 3 333.480 1.293 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953778 709654156 /nfs/dbraw/zinc/65/41/56/709654156.db2.gz CKTOFBWDHGRFPJ-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)C12CCC[NH+]1CCC2 ZINC001003243670 710166728 /nfs/dbraw/zinc/16/67/28/710166728.db2.gz FCHFYGJVXDJQLG-UHFFFAOYSA-N 1 3 331.464 1.092 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423590354 710228835 /nfs/dbraw/zinc/22/88/35/710228835.db2.gz IGPRVQAVZVZFAZ-IACUBPJLSA-N 1 3 329.366 1.760 20 0 EDADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626436 710455528 /nfs/dbraw/zinc/45/55/28/710455528.db2.gz OUDPWDSNURBZOX-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC001034720306 710886820 /nfs/dbraw/zinc/88/68/20/710886820.db2.gz CVGJUHYNTBQPPS-QAQDUYKDSA-N 1 3 347.507 1.587 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034724922 710896886 /nfs/dbraw/zinc/89/68/86/710896886.db2.gz XMKAPTUJKUYWEC-QAQDUYKDSA-N 1 3 347.507 1.762 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1)c1cnccn1 ZINC001034733782 710914364 /nfs/dbraw/zinc/91/43/64/710914364.db2.gz CTFFCPBJDNSJGO-YVSFHVDLSA-N 1 3 345.491 1.896 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735621 710920743 /nfs/dbraw/zinc/92/07/43/710920743.db2.gz JMLCELOBMINFLX-BRWVUGGUSA-N 1 3 333.480 1.384 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792932 711120804 /nfs/dbraw/zinc/12/08/04/711120804.db2.gz PGDCPLCWINCOMN-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792932 711120805 /nfs/dbraw/zinc/12/08/05/711120805.db2.gz PGDCPLCWINCOMN-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001034936533 711381721 /nfs/dbraw/zinc/38/17/21/711381721.db2.gz RCAWELGNNNPREM-QZTJIDSGSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)cn1 ZINC001034936533 711381726 /nfs/dbraw/zinc/38/17/26/711381726.db2.gz RCAWELGNNNPREM-QZTJIDSGSA-N 1 3 345.491 1.738 20 0 EDADHO CCc1nnc(CNC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034957345 711428341 /nfs/dbraw/zinc/42/83/41/711428341.db2.gz PHUBQPXDPGMIGM-CYBMUJFWSA-N 1 3 335.452 1.197 20 0 EDADHO O=C(Cn1ccc(C(F)F)n1)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001034957144 711428461 /nfs/dbraw/zinc/42/84/61/711428461.db2.gz ZGLOTQHUKDVLPL-CQSZACIVSA-N 1 3 349.385 1.997 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388049 711429580 /nfs/dbraw/zinc/42/95/80/711429580.db2.gz NTHQVAGPIRKPQF-OPNNQBFTSA-N 1 3 334.460 1.970 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388049 711429584 /nfs/dbraw/zinc/42/95/84/711429584.db2.gz NTHQVAGPIRKPQF-OPNNQBFTSA-N 1 3 334.460 1.970 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001034939868 711442823 /nfs/dbraw/zinc/44/28/23/711442823.db2.gz PISIHTKVZGWHLC-KBRIMQKVSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001034939868 711442824 /nfs/dbraw/zinc/44/28/24/711442824.db2.gz PISIHTKVZGWHLC-KBRIMQKVSA-N 1 3 331.464 1.206 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394643 711461310 /nfs/dbraw/zinc/46/13/10/711461310.db2.gz PWZNKLDEYUALOF-FPAYPSAMSA-N 1 3 332.492 1.998 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394643 711461312 /nfs/dbraw/zinc/46/13/12/711461312.db2.gz PWZNKLDEYUALOF-FPAYPSAMSA-N 1 3 332.492 1.998 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621461 711908329 /nfs/dbraw/zinc/90/83/29/711908329.db2.gz ZENUAKDWKBWNGQ-YESZJQIVSA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621461 711908330 /nfs/dbraw/zinc/90/83/30/711908330.db2.gz ZENUAKDWKBWNGQ-YESZJQIVSA-N 1 3 337.508 1.676 20 0 EDADHO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633221 712055277 /nfs/dbraw/zinc/05/52/77/712055277.db2.gz NOJXWZOHNNRXEB-BBWFWOEESA-N 1 3 325.497 1.389 20 0 EDADHO COCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633221 712055279 /nfs/dbraw/zinc/05/52/79/712055279.db2.gz NOJXWZOHNNRXEB-BBWFWOEESA-N 1 3 325.497 1.389 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000558722704 306245975 /nfs/dbraw/zinc/24/59/75/306245975.db2.gz OIKMTBQXGQSMGE-JYJNAYRXSA-N 1 3 343.537 1.511 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176001378 231552902 /nfs/dbraw/zinc/55/29/02/231552902.db2.gz BERFSDJKRZSYFQ-JKSUJKDBSA-N 1 3 326.485 1.269 20 0 EDADHO C[N@H+](CCOc1cccc(CNC(=O)C2(N)CC2)c1)C1CCOCC1 ZINC000167347795 529925892 /nfs/dbraw/zinc/92/58/92/529925892.db2.gz SVWGEYNYQUTAAI-UHFFFAOYSA-N 1 3 347.459 1.284 20 0 EDADHO C[N@@H+](CCOc1cccc(CNC(=O)C2(N)CC2)c1)C1CCOCC1 ZINC000167347795 529925893 /nfs/dbraw/zinc/92/58/93/529925893.db2.gz SVWGEYNYQUTAAI-UHFFFAOYSA-N 1 3 347.459 1.284 20 0 EDADHO COc1cc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)ccn1 ZINC000559894905 306259665 /nfs/dbraw/zinc/25/96/65/306259665.db2.gz NTSFZRQCMHENFP-INIZCTEOSA-N 1 3 336.480 1.131 20 0 EDADHO COc1ccc(CCNC(=[NH2+])NCCCN2CCC(O)CC2)cc1 ZINC000066245429 215026843 /nfs/dbraw/zinc/02/68/43/215026843.db2.gz NENXUGHUVLJFMR-UHFFFAOYSA-N 1 3 334.464 1.198 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433343813 539558317 /nfs/dbraw/zinc/55/83/17/539558317.db2.gz PJCUJUHNYVVQFM-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO CN1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000121334241 282707798 /nfs/dbraw/zinc/70/77/98/282707798.db2.gz QFULSKRUHGVPCJ-IAGOWNOFSA-N 1 3 338.496 1.148 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000563117258 306319122 /nfs/dbraw/zinc/31/91/22/306319122.db2.gz XBRWDVYPXZGAFI-YUTCNCBUSA-N 1 3 329.366 1.618 20 0 EDADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1[nH]nc2c1CNCC2 ZINC000372901826 295910540 /nfs/dbraw/zinc/91/05/40/295910540.db2.gz JNIRSPXEZUREMJ-BBRMVZONSA-N 1 3 343.406 1.070 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390154 306331576 /nfs/dbraw/zinc/33/15/76/306331576.db2.gz OKUVJPUWFHNOGO-HYVNUMGLSA-N 1 3 337.533 1.757 20 0 EDADHO Cc1[nH]nc2ncc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cc12 ZINC000563462272 306334782 /nfs/dbraw/zinc/33/47/82/306334782.db2.gz VIDVUMWXMHCNJZ-CVEARBPZSA-N 1 3 327.432 1.467 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2NCCc3ccccc32)CCSC1 ZINC000563588400 306340173 /nfs/dbraw/zinc/34/01/73/306340173.db2.gz GRIJFDHJZKVTAR-AEFFLSMTSA-N 1 3 348.516 1.610 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000564560878 306360808 /nfs/dbraw/zinc/36/08/08/306360808.db2.gz HEHRWLGACUTJKD-HUUCEWRRSA-N 1 3 332.366 1.656 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000564560878 306360809 /nfs/dbraw/zinc/36/08/09/306360809.db2.gz HEHRWLGACUTJKD-HUUCEWRRSA-N 1 3 332.366 1.656 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C2)CC1 ZINC000564726636 306363980 /nfs/dbraw/zinc/36/39/80/306363980.db2.gz PEKXAAVLADFQSR-ZIFCJYIRSA-N 1 3 334.508 1.003 20 0 EDADHO CN[C@H](CC(C)(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000449119014 305307195 /nfs/dbraw/zinc/30/71/95/305307195.db2.gz VTFGZDFQQNVPPC-OAHLLOKOSA-N 1 3 325.497 1.772 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000175713047 237317906 /nfs/dbraw/zinc/31/79/06/237317906.db2.gz RVSOJPHSTKRVMM-KRWDZBQOSA-N 1 3 341.496 1.007 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000564845337 306366952 /nfs/dbraw/zinc/36/69/52/306366952.db2.gz WMHHNIZEHPCNKO-SFHVURJKSA-N 1 3 332.444 1.845 20 0 EDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195174 304105356 /nfs/dbraw/zinc/10/53/56/304105356.db2.gz NUKIZCRRHCDYKH-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO COCc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414476942 304117551 /nfs/dbraw/zinc/11/75/51/304117551.db2.gz APGZCZNWUCIENA-UHFFFAOYSA-N 1 3 337.464 1.312 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414699272 304129185 /nfs/dbraw/zinc/12/91/85/304129185.db2.gz DWDJQZSHRSDVMV-UHFFFAOYSA-N 1 3 348.491 1.910 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000414735927 304134971 /nfs/dbraw/zinc/13/49/71/304134971.db2.gz MERDKIXWAWGNLL-WMLDXEAASA-N 1 3 344.459 1.732 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786163 304140649 /nfs/dbraw/zinc/14/06/49/304140649.db2.gz UFUWVQNRDZSCPH-DLBZAZTESA-N 1 3 347.507 1.387 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000414834510 304146077 /nfs/dbraw/zinc/14/60/77/304146077.db2.gz SJZWPKSZZKKNCH-CJNGLKHVSA-N 1 3 344.459 1.778 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 ZINC000414844822 304147200 /nfs/dbraw/zinc/14/72/00/304147200.db2.gz CYCAWROIRLGQLJ-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO CCOCCC1(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000415091983 304158657 /nfs/dbraw/zinc/15/86/57/304158657.db2.gz RORGGVOTRFBGOJ-MRXNPFEDSA-N 1 3 325.497 1.760 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237184497 139043353 /nfs/dbraw/zinc/04/33/53/139043353.db2.gz IWMHEORQPHEVTQ-UHFFFAOYSA-N 1 3 349.475 1.597 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000415232769 304177452 /nfs/dbraw/zinc/17/74/52/304177452.db2.gz QZTUEJHGMCLRSR-RHSMWYFYSA-N 1 3 344.459 1.430 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248430299 139163465 /nfs/dbraw/zinc/16/34/65/139163465.db2.gz BPBHNYWFHBEXDM-VQIMIIECSA-N 1 3 347.503 1.990 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855775 139177816 /nfs/dbraw/zinc/17/78/16/139177816.db2.gz PGUPJLIPTGEWFL-SZVBFZGTSA-N 1 3 348.491 1.119 20 0 EDADHO COCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539839 139208747 /nfs/dbraw/zinc/20/87/47/139208747.db2.gz BSCRNXXPNDWCFO-QGZVFWFLSA-N 1 3 331.460 1.393 20 0 EDADHO N[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627054 139212485 /nfs/dbraw/zinc/21/24/85/139212485.db2.gz CQEMUMDJADBUDT-IEBWSBKVSA-N 1 3 345.487 1.421 20 0 EDADHO N[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627054 139212486 /nfs/dbraw/zinc/21/24/86/139212486.db2.gz CQEMUMDJADBUDT-IEBWSBKVSA-N 1 3 345.487 1.421 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415491313 304224852 /nfs/dbraw/zinc/22/48/52/304224852.db2.gz DFDSLMNHNGGVSD-DOTOQJQBSA-N 1 3 346.475 1.808 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067864 139248206 /nfs/dbraw/zinc/24/82/06/139248206.db2.gz SEVZKKLNPBUXQT-ZTFGCOKTSA-N 1 3 331.460 1.692 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@H]1c1cccs1 ZINC000262147748 139255238 /nfs/dbraw/zinc/25/52/38/139255238.db2.gz XHUYUQUJEATAAC-NYTXWWLZSA-N 1 3 337.489 1.754 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000262338692 139271341 /nfs/dbraw/zinc/27/13/41/139271341.db2.gz HRNRGFUPPUEFGU-HOTGVXAUSA-N 1 3 345.487 1.858 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1C[NH2+]C1 ZINC000262345104 139271970 /nfs/dbraw/zinc/27/19/70/139271970.db2.gz ILVONTALNMDVEX-CYBMUJFWSA-N 1 3 344.459 1.178 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000417318140 251158103 /nfs/dbraw/zinc/15/81/03/251158103.db2.gz YAYKDZFBJUHPDK-BZSNNMDCSA-N 1 3 330.476 1.849 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000417535398 251184585 /nfs/dbraw/zinc/18/45/85/251184585.db2.gz BSLIZDFWHFQGLW-ZIAGYGMSSA-N 1 3 326.485 1.255 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559719 251187083 /nfs/dbraw/zinc/18/70/83/251187083.db2.gz AFOMSDQVEIENBZ-GOSISDBHSA-N 1 3 348.491 1.310 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)NCC1C[NH2+]C1 ZINC000417598420 251203587 /nfs/dbraw/zinc/20/35/87/251203587.db2.gz ZIXHMYFGJQELOV-UHFFFAOYSA-N 1 3 332.448 1.180 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417800532 251274461 /nfs/dbraw/zinc/27/44/61/251274461.db2.gz BYKFADHDDPUECG-GOEBONIOSA-N 1 3 326.485 1.316 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417800584 251275170 /nfs/dbraw/zinc/27/51/70/251275170.db2.gz CDNROIQTZOUWRS-INIZCTEOSA-N 1 3 340.512 1.646 20 0 EDADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110020 251324377 /nfs/dbraw/zinc/32/43/77/251324377.db2.gz VSVBMNOHNJXWBY-KURKYZTESA-N 1 3 328.460 1.369 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000418108468 251325093 /nfs/dbraw/zinc/32/50/93/251325093.db2.gz RMBSZDLMXGKUQT-FUHWJXTLSA-N 1 3 330.476 1.807 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)CN1C1CC1 ZINC000417854366 251298880 /nfs/dbraw/zinc/29/88/80/251298880.db2.gz JPFQHXZSHADCSD-ZBFHGGJFSA-N 1 3 331.464 1.486 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418429355 251368626 /nfs/dbraw/zinc/36/86/26/251368626.db2.gz RZILNZBDZIAJFA-UHFFFAOYSA-N 1 3 327.517 1.219 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418321833 251359806 /nfs/dbraw/zinc/35/98/06/251359806.db2.gz CRTJNKBEBUAFPC-KRWDZBQOSA-N 1 3 333.480 1.687 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418752573 251412538 /nfs/dbraw/zinc/41/25/38/251412538.db2.gz UFNNGACYTGYUBF-CQSZACIVSA-N 1 3 332.439 1.747 20 0 EDADHO CNC(=O)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502274 306509078 /nfs/dbraw/zinc/50/90/78/306509078.db2.gz JGNPMWVHYQZCMF-ZNMIVQPWSA-N 1 3 337.439 1.599 20 0 EDADHO CCC[C@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680121 139295739 /nfs/dbraw/zinc/29/57/39/139295739.db2.gz WUMHPRKNSFBRJM-INIZCTEOSA-N 1 3 334.464 1.824 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262709262 139297953 /nfs/dbraw/zinc/29/79/53/139297953.db2.gz OUDBIXRNWXSTGT-LJQANCHMSA-N 1 3 333.476 1.777 20 0 EDADHO C[C@@H](CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)C1CC[NH2+]CC1 ZINC000262804589 139304950 /nfs/dbraw/zinc/30/49/50/139304950.db2.gz OGRAPAMBSPUZJX-LBPRGKRZSA-N 1 3 342.447 1.895 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864439 252003387 /nfs/dbraw/zinc/00/33/87/252003387.db2.gz NBOGEQRQVDEBTB-JTDSTZFVSA-N 1 3 333.476 1.995 20 0 EDADHO COc1cc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3CN)C2)cc(OC)c1 ZINC000422864439 252003391 /nfs/dbraw/zinc/00/33/91/252003391.db2.gz NBOGEQRQVDEBTB-JTDSTZFVSA-N 1 3 333.476 1.995 20 0 EDADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCN(CC3CCCC3)C2)nn1 ZINC000423414276 252054077 /nfs/dbraw/zinc/05/40/77/252054077.db2.gz MNPJRPLXYOKGLY-OAHLLOKOSA-N 1 3 334.468 1.011 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795941 252079689 /nfs/dbraw/zinc/07/96/89/252079689.db2.gz KYZNPJWSXXPWDW-IEBWSBKVSA-N 1 3 330.476 1.752 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000263241331 139330335 /nfs/dbraw/zinc/33/03/35/139330335.db2.gz LGZMPHKESBGOFC-WMZOPIPTSA-N 1 3 346.475 1.039 20 0 EDADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000570273845 306535076 /nfs/dbraw/zinc/53/50/76/306535076.db2.gz TUIQZARBZNLVQK-JKSUJKDBSA-N 1 3 331.464 1.727 20 0 EDADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415736786 304263218 /nfs/dbraw/zinc/26/32/18/304263218.db2.gz FYGURLYOQJYVEV-WMLDXEAASA-N 1 3 344.459 1.559 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164387 255359825 /nfs/dbraw/zinc/35/98/25/255359825.db2.gz BKVQWRMUWWSSMC-HOTGVXAUSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164387 255359826 /nfs/dbraw/zinc/35/98/26/255359826.db2.gz BKVQWRMUWWSSMC-HOTGVXAUSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164387 255359827 /nfs/dbraw/zinc/35/98/27/255359827.db2.gz BKVQWRMUWWSSMC-HOTGVXAUSA-N 1 3 343.512 1.924 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)OC1CCOCC1 ZINC000495800039 255327055 /nfs/dbraw/zinc/32/70/55/255327055.db2.gz SADLRYCYLKDCKY-OAHLLOKOSA-N 1 3 327.469 1.650 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)OC1CCOCC1 ZINC000495800039 255327056 /nfs/dbraw/zinc/32/70/56/255327056.db2.gz SADLRYCYLKDCKY-OAHLLOKOSA-N 1 3 327.469 1.650 20 0 EDADHO O=C1O[C@]2(CN1CN1CC[C@H](C[NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000496007076 255340661 /nfs/dbraw/zinc/34/06/61/255340661.db2.gz ACKVXMKJJNJPJK-APWZRJJASA-N 1 3 348.491 1.278 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415800896 304274412 /nfs/dbraw/zinc/27/44/12/304274412.db2.gz DVXRSWGIGBNCAM-GOEBONIOSA-N 1 3 346.475 1.629 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118109307 221120564 /nfs/dbraw/zinc/12/05/64/221120564.db2.gz LHAGKAJBDDVHGV-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000416244436 304300187 /nfs/dbraw/zinc/30/01/87/304300187.db2.gz VVKNUVPMBCEMEJ-ROUUACIJSA-N 1 3 333.476 1.642 20 0 EDADHO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000270942709 140204224 /nfs/dbraw/zinc/20/42/24/140204224.db2.gz WPTQZDAIVKRCBU-OKMWKSJFSA-N 1 3 331.460 1.103 20 0 EDADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000333342000 141302581 /nfs/dbraw/zinc/30/25/81/141302581.db2.gz YHPIRUVLSNVAHP-QKPAOTATSA-N 1 3 333.480 1.640 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333374265 141307789 /nfs/dbraw/zinc/30/77/89/141307789.db2.gz VLCNFOIVYCMTHI-CQSZACIVSA-N 1 3 332.448 1.974 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333374265 141307790 /nfs/dbraw/zinc/30/77/90/141307790.db2.gz VLCNFOIVYCMTHI-CQSZACIVSA-N 1 3 332.448 1.974 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000333392433 141310637 /nfs/dbraw/zinc/31/06/37/141310637.db2.gz PAGXMVXMOKBKAM-AYDFFVQHSA-N 1 3 326.510 1.111 20 0 EDADHO C[C@H]1CN(CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000342453001 142722991 /nfs/dbraw/zinc/72/29/91/142722991.db2.gz XZIHATGAIREUKE-ROUUACIJSA-N 1 3 339.524 1.530 20 0 EDADHO CC(C)(CNC(=O)[C@H]([NH3+])CC(F)F)N1CCc2ccccc2C1 ZINC000345686284 143121367 /nfs/dbraw/zinc/12/13/67/143121367.db2.gz AHZRBIXPUGABAJ-CQSZACIVSA-N 1 3 325.403 1.922 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCOCCN(C)C ZINC000346163215 143173883 /nfs/dbraw/zinc/17/38/83/143173883.db2.gz LHWQVTTXLKIUNX-SJLPKXTDSA-N 1 3 333.476 1.449 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCOCCN(C)C ZINC000346163215 143173884 /nfs/dbraw/zinc/17/38/84/143173884.db2.gz LHWQVTTXLKIUNX-SJLPKXTDSA-N 1 3 333.476 1.449 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000346733448 143239370 /nfs/dbraw/zinc/23/93/70/143239370.db2.gz QBKQCQQVVUFPHM-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)C1 ZINC000346733448 143239369 /nfs/dbraw/zinc/23/93/69/143239369.db2.gz QBKQCQQVVUFPHM-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416782213 304348781 /nfs/dbraw/zinc/34/87/81/304348781.db2.gz FPCKIKZDCRWULS-SQNIBIBYSA-N 1 3 328.460 1.827 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CN(C)C)[C@H](C)C1 ZINC000353434370 286060889 /nfs/dbraw/zinc/06/08/89/286060889.db2.gz DGWKGQLZQMQSLJ-OAGGEKHMSA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CN(C)C)[C@H](C)C1 ZINC000353434370 286060890 /nfs/dbraw/zinc/06/08/90/286060890.db2.gz DGWKGQLZQMQSLJ-OAGGEKHMSA-N 1 3 328.501 1.373 20 0 EDADHO Cc1nc2ccccn2c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000352977233 149236786 /nfs/dbraw/zinc/23/67/86/149236786.db2.gz NYOFYCYXWMUZGH-UHFFFAOYSA-N 1 3 343.475 1.533 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000353014668 149252979 /nfs/dbraw/zinc/25/29/79/149252979.db2.gz JMSNKPLMEUFSRN-INIZCTEOSA-N 1 3 340.512 1.395 20 0 EDADHO [NH3+][C@@H]1CCCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416978421 304360224 /nfs/dbraw/zinc/36/02/24/304360224.db2.gz RCQBWURZAYKNHM-QGZVFWFLSA-N 1 3 330.476 1.826 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000355176728 150153561 /nfs/dbraw/zinc/15/35/61/150153561.db2.gz VVMIMEJQNPLWLL-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417046049 304366328 /nfs/dbraw/zinc/36/63/28/304366328.db2.gz ZDTQVXCWHVQHSH-YJBOKZPZSA-N 1 3 330.476 1.732 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064202 304368195 /nfs/dbraw/zinc/36/81/95/304368195.db2.gz ABYKRWHITJELEE-XWTMOSNGSA-N 1 3 328.460 1.750 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064202 304368197 /nfs/dbraw/zinc/36/81/97/304368197.db2.gz ABYKRWHITJELEE-XWTMOSNGSA-N 1 3 328.460 1.750 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000357404871 151021265 /nfs/dbraw/zinc/02/12/65/151021265.db2.gz KYJYRPXKJLUOJV-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357404871 151021269 /nfs/dbraw/zinc/02/12/69/151021269.db2.gz KYJYRPXKJLUOJV-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccco1 ZINC000357546872 151063719 /nfs/dbraw/zinc/06/37/19/151063719.db2.gz QDCHXSQEHAFEBT-HOCLYGCPSA-N 1 3 345.447 1.937 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357915129 151194644 /nfs/dbraw/zinc/19/46/44/151194644.db2.gz IPRFVIWCZOVCPT-IRXDYDNUSA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357915129 151194646 /nfs/dbraw/zinc/19/46/46/151194646.db2.gz IPRFVIWCZOVCPT-IRXDYDNUSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167456 151293559 /nfs/dbraw/zinc/29/35/59/151293559.db2.gz MNXYWUAMCBZBJS-SOLBZPMBSA-N 1 3 331.460 1.596 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167456 151293562 /nfs/dbraw/zinc/29/35/62/151293562.db2.gz MNXYWUAMCBZBJS-SOLBZPMBSA-N 1 3 331.460 1.596 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000358490843 151392965 /nfs/dbraw/zinc/39/29/65/151392965.db2.gz DMVFVHYLJGWTGU-APWZRJJASA-N 1 3 348.491 1.215 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417092861 304371879 /nfs/dbraw/zinc/37/18/79/304371879.db2.gz AKPBXPUHSDJBET-CQSZACIVSA-N 1 3 328.526 1.631 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897630 152245852 /nfs/dbraw/zinc/24/58/52/152245852.db2.gz MWLKZGHGOGGHAY-HOTGVXAUSA-N 1 3 325.497 1.819 20 0 EDADHO COC(=O)CCCN1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000360953862 152262312 /nfs/dbraw/zinc/26/23/12/152262312.db2.gz JNQRKPVWJQJKRF-IRXDYDNUSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[C@@H](N)C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370160999 155356314 /nfs/dbraw/zinc/35/63/14/155356314.db2.gz KJDZUTQOZDEWEW-CABCVRRESA-N 1 3 333.480 1.501 20 0 EDADHO COCC[C@]1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000370201274 155375013 /nfs/dbraw/zinc/37/50/13/155375013.db2.gz IVHDVZVSJUEZFD-XYJFISCASA-N 1 3 341.496 1.008 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000363609784 153012685 /nfs/dbraw/zinc/01/26/85/153012685.db2.gz AHGAIPQGGWRQJM-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000417201603 304384147 /nfs/dbraw/zinc/38/41/47/304384147.db2.gz WSIBFNXPRHFICE-RYQLBKOJSA-N 1 3 332.492 1.928 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417371847 304395195 /nfs/dbraw/zinc/39/51/95/304395195.db2.gz WCCWVAGKLUGTPC-GOSISDBHSA-N 1 3 334.464 1.507 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1(C)C ZINC000367380626 286504182 /nfs/dbraw/zinc/50/41/82/286504182.db2.gz BFKNKMOJGAOEGL-KBXCAEBGSA-N 1 3 335.423 1.942 20 0 EDADHO C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1=CCN(C)CC1 ZINC000371581910 156015399 /nfs/dbraw/zinc/01/53/99/156015399.db2.gz SMWZJPONEZFKGP-SJLPKXTDSA-N 1 3 349.523 1.058 20 0 EDADHO C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1=CCN(C)CC1 ZINC000371581910 156015401 /nfs/dbraw/zinc/01/54/01/156015401.db2.gz SMWZJPONEZFKGP-SJLPKXTDSA-N 1 3 349.523 1.058 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)C1CC1 ZINC000372381957 156362228 /nfs/dbraw/zinc/36/22/28/156362228.db2.gz AJMJIMTZZLMALC-ZWKOTPCHSA-N 1 3 346.475 1.015 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000372426457 156384396 /nfs/dbraw/zinc/38/43/96/156384396.db2.gz VXDILTBXZTUCNH-JYJNAYRXSA-N 1 3 333.480 1.480 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@@H]4CCC[N@H+]4C)C[C@H]3C2)no1 ZINC000372426457 156384399 /nfs/dbraw/zinc/38/43/99/156384399.db2.gz VXDILTBXZTUCNH-JYJNAYRXSA-N 1 3 333.480 1.480 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417547839 304404572 /nfs/dbraw/zinc/40/45/72/304404572.db2.gz PIIWIGWXNDPYKV-GDBMZVCRSA-N 1 3 340.512 1.693 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000374737027 157383369 /nfs/dbraw/zinc/38/33/69/157383369.db2.gz SGGPZTZHUQGQRU-UHFFFAOYSA-N 1 3 337.508 1.870 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)no1 ZINC000378476461 158185927 /nfs/dbraw/zinc/18/59/27/158185927.db2.gz WFKRLFOPZZVZKE-PMPSAXMXSA-N 1 3 333.480 1.813 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)no1 ZINC000378476461 158185930 /nfs/dbraw/zinc/18/59/30/158185930.db2.gz WFKRLFOPZZVZKE-PMPSAXMXSA-N 1 3 333.480 1.813 20 0 EDADHO COC1(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000408379508 158347686 /nfs/dbraw/zinc/34/76/86/158347686.db2.gz LJIWIVPGHSQKEW-DLBZAZTESA-N 1 3 326.481 1.540 20 0 EDADHO C[NH2+]CCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418338049 304482905 /nfs/dbraw/zinc/48/29/05/304482905.db2.gz YUOFNBCTVGGWRS-GJZGRUSLSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000166619969 226164231 /nfs/dbraw/zinc/16/42/31/226164231.db2.gz QOQSCUPRUJFRGK-GFCCVEGCSA-N 1 3 332.404 1.237 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000665762848 452339761 /nfs/dbraw/zinc/33/97/61/452339761.db2.gz ROHZVBIBIIDUHD-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@H](C(C)(C)C)C1 ZINC000665762848 452339767 /nfs/dbraw/zinc/33/97/67/452339767.db2.gz ROHZVBIBIIDUHD-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000130276086 287489562 /nfs/dbraw/zinc/48/95/62/287489562.db2.gz UBFDXWQAQLKNCD-UHFFFAOYSA-N 1 3 327.856 1.914 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000274771499 268203097 /nfs/dbraw/zinc/20/30/97/268203097.db2.gz CXXMCSMSPHRIRS-UHFFFAOYSA-N 1 3 333.480 1.854 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1N(C)C ZINC000275466091 268346783 /nfs/dbraw/zinc/34/67/83/268346783.db2.gz WKWRKBAJXDSUEA-RHSMWYFYSA-N 1 3 346.475 1.138 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1[NH+](C)C ZINC000275466091 268346785 /nfs/dbraw/zinc/34/67/85/268346785.db2.gz WKWRKBAJXDSUEA-RHSMWYFYSA-N 1 3 346.475 1.138 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000276069117 273146581 /nfs/dbraw/zinc/14/65/81/273146581.db2.gz VWVXCWRCEROKLM-OAHLLOKOSA-N 1 3 346.475 1.139 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000276069117 273146582 /nfs/dbraw/zinc/14/65/82/273146582.db2.gz VWVXCWRCEROKLM-OAHLLOKOSA-N 1 3 346.475 1.139 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262147971 276034892 /nfs/dbraw/zinc/03/48/92/276034892.db2.gz QQUMUZPCWXMGAZ-UYAOXDASSA-N 1 3 346.519 1.999 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415421744 278181744 /nfs/dbraw/zinc/18/17/44/278181744.db2.gz VIRWBNWGSOBJKD-CYBMUJFWSA-N 1 3 332.448 1.067 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415421744 278181747 /nfs/dbraw/zinc/18/17/47/278181747.db2.gz VIRWBNWGSOBJKD-CYBMUJFWSA-N 1 3 332.448 1.067 20 0 EDADHO C[C@@H]1NCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]1C ZINC000333136298 279036225 /nfs/dbraw/zinc/03/62/25/279036225.db2.gz CJNKSVJOLPCYIE-DIECFANBSA-N 1 3 338.496 1.146 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457823494 279128218 /nfs/dbraw/zinc/12/82/18/279128218.db2.gz XRPWQTOGMGEFLZ-HZPDHXFCSA-N 1 3 328.501 1.109 20 0 EDADHO CC(C)N(C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719393 279274111 /nfs/dbraw/zinc/27/41/11/279274111.db2.gz JQFDDFJLTCOGBL-SFHVURJKSA-N 1 3 338.540 1.732 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1(C(=O)OC)CCC1 ZINC000353555154 280186859 /nfs/dbraw/zinc/18/68/59/280186859.db2.gz ZBVSDBPVRGMXFZ-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)CN1C ZINC000347241641 280248941 /nfs/dbraw/zinc/24/89/41/280248941.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)CN1C ZINC000347241641 280248944 /nfs/dbraw/zinc/24/89/44/280248944.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919839 288293575 /nfs/dbraw/zinc/29/35/75/288293575.db2.gz IDFLXYCQGFHSEQ-CRAIPNDOSA-N 1 3 334.508 1.288 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000290064283 288832039 /nfs/dbraw/zinc/83/20/39/288832039.db2.gz FTQVTNWDOCWUIS-MSOLQXFVSA-N 1 3 333.476 1.877 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000290176281 288852856 /nfs/dbraw/zinc/85/28/56/288852856.db2.gz PGFHEHSDDUCMJZ-MOPGFXCFSA-N 1 3 345.487 1.648 20 0 EDADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290589737 288921369 /nfs/dbraw/zinc/92/13/69/288921369.db2.gz OJPAQPSNOXRSHF-MOPGFXCFSA-N 1 3 327.472 1.967 20 0 EDADHO CN(C)CCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897158 289171781 /nfs/dbraw/zinc/17/17/81/289171781.db2.gz JFNBAENDGCEGHG-HSALFYBXSA-N 1 3 347.503 1.874 20 0 EDADHO Cc1cncc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000292244361 289297925 /nfs/dbraw/zinc/29/79/25/289297925.db2.gz LTDBHFTVMUUMDA-UHFFFAOYSA-N 1 3 344.503 1.997 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292262841 289300930 /nfs/dbraw/zinc/30/09/30/289300930.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 1 3 347.459 1.412 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292262841 289300932 /nfs/dbraw/zinc/30/09/32/289300932.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 1 3 347.459 1.412 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)[C@@H]2C1 ZINC000353327371 289399571 /nfs/dbraw/zinc/39/95/71/289399571.db2.gz NQHAIDMJRFSARF-FMKPAKJESA-N 1 3 326.510 1.159 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015496 293290220 /nfs/dbraw/zinc/29/02/20/293290220.db2.gz MOXNZSSVVNXAIK-BFYDXBDKSA-N 1 3 326.485 1.175 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000348131116 293876580 /nfs/dbraw/zinc/87/65/80/293876580.db2.gz ZVIJPBQNVBTCDA-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[NH2+]CC1)CC2 ZINC000422770244 295040266 /nfs/dbraw/zinc/04/02/66/295040266.db2.gz URGORAPDYLNWNM-QGZVFWFLSA-N 1 3 333.476 1.794 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418555440 304512575 /nfs/dbraw/zinc/51/25/75/304512575.db2.gz DTGPAVYISAACSH-WMLDXEAASA-N 1 3 336.455 1.897 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000347957287 297268922 /nfs/dbraw/zinc/26/89/22/297268922.db2.gz CUYPLKHUETVRQE-QLFBSQMISA-N 1 3 340.512 1.068 20 0 EDADHO CN(C)CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574415 304514402 /nfs/dbraw/zinc/51/44/02/304514402.db2.gz VJLFEESETJVSPC-BBRMVZONSA-N 1 3 340.418 1.613 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418610930 304518772 /nfs/dbraw/zinc/51/87/72/304518772.db2.gz ARECDHFOENZJJN-HNNXBMFYSA-N 1 3 333.480 1.937 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000418664343 304527872 /nfs/dbraw/zinc/52/78/72/304527872.db2.gz AWZUOZUIFQOUBR-JREVHRFXSA-N 1 3 334.508 1.746 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418869871 304542126 /nfs/dbraw/zinc/54/21/26/304542126.db2.gz XSWZTKYFBWXNHK-IRXDYDNUSA-N 1 3 346.475 1.135 20 0 EDADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422804000 298793844 /nfs/dbraw/zinc/79/38/44/298793844.db2.gz GSWXRNQEAMUJSC-AYBZRNKSSA-N 1 3 331.460 1.553 20 0 EDADHO Cn1cncc1[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825132 303031411 /nfs/dbraw/zinc/03/14/11/303031411.db2.gz JUTLDYOXRFMBKJ-MAUKXSAKSA-N 1 3 331.464 1.298 20 0 EDADHO COc1nccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000295156094 303181658 /nfs/dbraw/zinc/18/16/58/303181658.db2.gz KCETWKCHLVWNEK-UHFFFAOYSA-N 1 3 342.447 1.182 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000296009574 303289795 /nfs/dbraw/zinc/28/97/95/303289795.db2.gz OUANJGLUMLEXBE-QGZVFWFLSA-N 1 3 333.476 1.616 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000414856597 447330540 /nfs/dbraw/zinc/33/05/40/447330540.db2.gz OMLJMZKDSXHHEK-RHSMWYFYSA-N 1 3 344.459 1.732 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000414860451 447331743 /nfs/dbraw/zinc/33/17/43/447331743.db2.gz VLRQPBRCVGPEPN-GASCZTMLSA-N 1 3 346.475 1.724 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000414858874 447332099 /nfs/dbraw/zinc/33/20/99/447332099.db2.gz SSSVCIIOAHZKKH-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)CN)CC2)cc1 ZINC000414871945 447336311 /nfs/dbraw/zinc/33/63/11/447336311.db2.gz DSLLJUIMAPWYPM-ZDUSSCGKSA-N 1 3 341.477 1.033 20 0 EDADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414881428 447342584 /nfs/dbraw/zinc/34/25/84/447342584.db2.gz SFPAXHUNYCSOEP-STQMWFEESA-N 1 3 332.448 1.937 20 0 EDADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414881428 447342594 /nfs/dbraw/zinc/34/25/94/447342594.db2.gz SFPAXHUNYCSOEP-STQMWFEESA-N 1 3 332.448 1.937 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423048033 304884072 /nfs/dbraw/zinc/88/40/72/304884072.db2.gz HLZJMGGPUXHZKQ-ZFWWWQNUSA-N 1 3 341.452 1.583 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423298385 304891570 /nfs/dbraw/zinc/89/15/70/304891570.db2.gz OFXZSKUEVJEFHB-UONOGXRCSA-N 1 3 327.494 1.963 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NCc1cc(C2CC[NH2+]CC2)no1 ZINC000425897316 304976423 /nfs/dbraw/zinc/97/64/23/304976423.db2.gz TXBUQUKHBUXXRP-HNNXBMFYSA-N 1 3 335.496 1.257 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960321 305021069 /nfs/dbraw/zinc/02/10/69/305021069.db2.gz BHUXWUYOGQGZGS-WMZOPIPTSA-N 1 3 344.503 1.946 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CCNCC3)cn2)CC1 ZINC000429032734 305023247 /nfs/dbraw/zinc/02/32/47/305023247.db2.gz YHXPNYMAOMROOE-UHFFFAOYSA-N 1 3 331.464 1.550 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC([NH3+])CC1 ZINC000430620417 305059662 /nfs/dbraw/zinc/05/96/62/305059662.db2.gz HRXKFLWXSZSZQC-INIZCTEOSA-N 1 3 344.503 1.579 20 0 EDADHO C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCC(C[NH3+])CC1 ZINC000430648792 305061115 /nfs/dbraw/zinc/06/11/15/305061115.db2.gz HQGXZCARROTAOO-GOEBONIOSA-N 1 3 347.459 1.344 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913390 305067571 /nfs/dbraw/zinc/06/75/71/305067571.db2.gz USITYESXUARKNP-SQNIBIBYSA-N 1 3 333.476 1.940 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431016387 305072870 /nfs/dbraw/zinc/07/28/70/305072870.db2.gz ZWLSWCITGUVFRW-KRWDZBQOSA-N 1 3 345.487 1.954 20 0 EDADHO COc1cc(CNC(=O)[C@H](C[NH3+])C(C)C)ccc1OCCN(C)C ZINC000433158121 305101927 /nfs/dbraw/zinc/10/19/27/305101927.db2.gz OULSLKCNELIDOU-OAHLLOKOSA-N 1 3 337.464 1.483 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000433285757 305104877 /nfs/dbraw/zinc/10/48/77/305104877.db2.gz SVDOSRABBYTQHB-QGZVFWFLSA-N 1 3 340.512 1.663 20 0 EDADHO CCN(CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629913 305144071 /nfs/dbraw/zinc/14/40/71/305144071.db2.gz VNUCDEZHXRSUSU-AWEZNQCLSA-N 1 3 341.477 1.177 20 0 EDADHO C[C@@H](NC(=O)NC[C@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234292 305237285 /nfs/dbraw/zinc/23/72/85/305237285.db2.gz FLXFNSGWHWZBDH-CZUORRHYSA-N 1 3 330.542 1.699 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265453 305245034 /nfs/dbraw/zinc/24/50/34/305245034.db2.gz FONQNUXQRHLIET-FCEWJHQRSA-N 1 3 337.508 1.709 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265453 305245035 /nfs/dbraw/zinc/24/50/35/305245035.db2.gz FONQNUXQRHLIET-FCEWJHQRSA-N 1 3 337.508 1.709 20 0 EDADHO CCN(Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712381 305317806 /nfs/dbraw/zinc/31/78/06/305317806.db2.gz RKTOQKFYALBKMH-SFHVURJKSA-N 1 3 331.460 1.779 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000458433285 447363881 /nfs/dbraw/zinc/36/38/81/447363881.db2.gz IXMABPKUXJOMBW-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000458433285 447363887 /nfs/dbraw/zinc/36/38/87/447363887.db2.gz IXMABPKUXJOMBW-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148186 306091526 /nfs/dbraw/zinc/09/15/26/306091526.db2.gz URYNXXMXSQEZHL-MOPGFXCFSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419735719 447382173 /nfs/dbraw/zinc/38/21/73/447382173.db2.gz WFKDQSODXZSKLA-GJZGRUSLSA-N 1 3 346.475 1.039 20 0 EDADHO CN1CCC[C@H]2C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385757 /nfs/dbraw/zinc/38/57/57/447385757.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 1 3 341.496 1.944 20 0 EDADHO CN1CCC[C@H]2C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385762 /nfs/dbraw/zinc/38/57/62/447385762.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 1 3 341.496 1.944 20 0 EDADHO COc1ccc2c(ccn2CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000103212307 441178182 /nfs/dbraw/zinc/17/81/82/441178182.db2.gz RQAOKEGBGAQBCW-UHFFFAOYSA-N 1 3 346.475 1.602 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000105173712 441239885 /nfs/dbraw/zinc/23/98/85/441239885.db2.gz BUVFWOIUFRGVTB-SJLPKXTDSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@H](C(=O)NC(N)=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726509 441201896 /nfs/dbraw/zinc/20/18/96/441201896.db2.gz ULNNIVUEYHXZCS-OAHLLOKOSA-N 1 3 346.475 1.804 20 0 EDADHO COCCN1CCC([NH2+]CC2(N3CCCCC3)CCOCC2)CC1 ZINC000089594330 441561713 /nfs/dbraw/zinc/56/17/13/441561713.db2.gz OONOTRDJVCLGLH-UHFFFAOYSA-N 1 3 339.524 1.722 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136615980 441707897 /nfs/dbraw/zinc/70/78/97/441707897.db2.gz LKWPRWSTKXDHSV-HZPDHXFCSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136615980 441707902 /nfs/dbraw/zinc/70/79/02/441707902.db2.gz LKWPRWSTKXDHSV-HZPDHXFCSA-N 1 3 348.491 1.872 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000173388015 441731014 /nfs/dbraw/zinc/73/10/14/441731014.db2.gz VDHWNZRJQFDIPO-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754763 /nfs/dbraw/zinc/75/47/63/441754763.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 1 3 329.510 1.074 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754768 /nfs/dbraw/zinc/75/47/68/441754768.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 1 3 329.510 1.074 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(Cl)c1 ZINC000077751322 441846625 /nfs/dbraw/zinc/84/66/25/441846625.db2.gz HHHZOAIRBFOLNX-UHFFFAOYSA-N 1 3 326.872 1.975 20 0 EDADHO Cc1nn(C)c2ncc(CN(C)CCN(C)C3CC[NH+](C)CC3)cc12 ZINC000162195149 442072559 /nfs/dbraw/zinc/07/25/59/442072559.db2.gz BPVDVMNVYVFQNI-UHFFFAOYSA-N 1 3 344.507 1.735 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176037979 442164790 /nfs/dbraw/zinc/16/47/90/442164790.db2.gz QCNLBHMPHWTPRA-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000168890855 442225278 /nfs/dbraw/zinc/22/52/78/442225278.db2.gz JPYLNYDUHKPJTI-LJQANCHMSA-N 1 3 335.467 1.793 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171356311 442342924 /nfs/dbraw/zinc/34/29/24/442342924.db2.gz NKJCZWADRRAWRF-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000154598986 442347069 /nfs/dbraw/zinc/34/70/69/442347069.db2.gz IPMVIWLYGQXVFV-SFHVURJKSA-N 1 3 332.492 1.568 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000131334714 442370262 /nfs/dbraw/zinc/37/02/62/442370262.db2.gz ATTPSNOMMPABAS-UHFFFAOYSA-N 1 3 347.463 1.528 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770276 442381958 /nfs/dbraw/zinc/38/19/58/442381958.db2.gz RMHVOSBTIXPWPT-BFYDXBDKSA-N 1 3 339.505 1.424 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000179853329 442512207 /nfs/dbraw/zinc/51/22/07/442512207.db2.gz KRWSBMMMZIXYGV-CRAIPNDOSA-N 1 3 333.476 1.628 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187766246 442691515 /nfs/dbraw/zinc/69/15/15/442691515.db2.gz KAMZOACSVZKVAN-GOSISDBHSA-N 1 3 327.513 1.435 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCC1 ZINC000181818697 442718080 /nfs/dbraw/zinc/71/80/80/442718080.db2.gz IYOMLMYHBSTPNE-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(OC)CCC1 ZINC000181818697 442718081 /nfs/dbraw/zinc/71/80/81/442718081.db2.gz IYOMLMYHBSTPNE-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CN(CCCN1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188267318 442731402 /nfs/dbraw/zinc/73/14/02/442731402.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO CN(CCCN1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188267318 442731405 /nfs/dbraw/zinc/73/14/05/442731405.db2.gz BXWPUVBGEMIEJR-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO COC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000188269509 442731808 /nfs/dbraw/zinc/73/18/08/442731808.db2.gz DLHRNKKVBOCAFB-INIZCTEOSA-N 1 3 333.476 1.884 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)COC1 ZINC000182360493 442760134 /nfs/dbraw/zinc/76/01/34/442760134.db2.gz UGAHRGXXXFJYSQ-BRSBDYLESA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)COC1 ZINC000182360493 442760135 /nfs/dbraw/zinc/76/01/35/442760135.db2.gz UGAHRGXXXFJYSQ-BRSBDYLESA-N 1 3 340.508 1.474 20 0 EDADHO CC(C)OCCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000182375226 442761561 /nfs/dbraw/zinc/76/15/61/442761561.db2.gz ZDHTVACEVSTGKF-UHFFFAOYSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148204 442870580 /nfs/dbraw/zinc/87/05/80/442870580.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148204 442870586 /nfs/dbraw/zinc/87/05/86/442870586.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 1 3 330.476 1.900 20 0 EDADHO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248911762 442937967 /nfs/dbraw/zinc/93/79/67/442937967.db2.gz CFHDVPSDCKGCIQ-SJORKVTESA-N 1 3 334.464 1.045 20 0 EDADHO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000248911762 442937971 /nfs/dbraw/zinc/93/79/71/442937971.db2.gz CFHDVPSDCKGCIQ-SJORKVTESA-N 1 3 334.464 1.045 20 0 EDADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204677 442960736 /nfs/dbraw/zinc/96/07/36/442960736.db2.gz VMOKVEKILCFDHD-UXHICEINSA-N 1 3 348.487 1.784 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000236724296 443145430 /nfs/dbraw/zinc/14/54/30/443145430.db2.gz OFTIDTVOLFRCHV-HZPDHXFCSA-N 1 3 341.496 1.680 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771304 443211598 /nfs/dbraw/zinc/21/15/98/443211598.db2.gz MJSOSYLZQWCDBZ-YVSFHVDLSA-N 1 3 347.507 1.904 20 0 EDADHO C[C@@H](C(=O)N(C)c1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000411741163 319199617 /nfs/dbraw/zinc/19/96/17/319199617.db2.gz ZFTOAQUKXURRQX-KRWDZBQOSA-N 1 3 334.508 1.853 20 0 EDADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414673422 319339701 /nfs/dbraw/zinc/33/97/01/319339701.db2.gz CFYGZOCNXSXDCV-CVEARBPZSA-N 1 3 347.459 1.346 20 0 EDADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414673422 319339702 /nfs/dbraw/zinc/33/97/02/319339702.db2.gz CFYGZOCNXSXDCV-CVEARBPZSA-N 1 3 347.459 1.346 20 0 EDADHO COc1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414674774 319339925 /nfs/dbraw/zinc/33/99/25/319339925.db2.gz FCRSLJMANSOESP-MRXNPFEDSA-N 1 3 331.460 1.857 20 0 EDADHO COc1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414674774 319339927 /nfs/dbraw/zinc/33/99/27/319339927.db2.gz FCRSLJMANSOESP-MRXNPFEDSA-N 1 3 331.460 1.857 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414680404 319341042 /nfs/dbraw/zinc/34/10/42/319341042.db2.gz NDGVIYMORBDDOI-MJGOQNOKSA-N 1 3 344.503 1.309 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)N(C)C ZINC000414683363 319341683 /nfs/dbraw/zinc/34/16/83/319341683.db2.gz SXKQXODOVXIBJU-CZUORRHYSA-N 1 3 334.464 1.737 20 0 EDADHO CN(CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989326 319387806 /nfs/dbraw/zinc/38/78/06/319387806.db2.gz AAHFYWKAZSZLKJ-ZDUSSCGKSA-N 1 3 332.370 1.697 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269272738 443261301 /nfs/dbraw/zinc/26/13/01/443261301.db2.gz UFIYKIPIYXGPAW-NJAFHUGGSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269272738 443261305 /nfs/dbraw/zinc/26/13/05/443261305.db2.gz UFIYKIPIYXGPAW-NJAFHUGGSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272466549 443328102 /nfs/dbraw/zinc/32/81/02/443328102.db2.gz KWZDZZSAIUICFB-HOCLYGCPSA-N 1 3 325.478 1.036 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418690421 319511643 /nfs/dbraw/zinc/51/16/43/319511643.db2.gz WWHLZRUOXLSNKI-ULQDDVLXSA-N 1 3 340.512 1.504 20 0 EDADHO CN(CCC(=O)Nc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000267466008 443467349 /nfs/dbraw/zinc/46/73/49/443467349.db2.gz MBAGCAVYYUEDDC-UHFFFAOYSA-N 1 3 332.492 1.973 20 0 EDADHO CN(CCC(=O)Nc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000267466008 443467354 /nfs/dbraw/zinc/46/73/54/443467354.db2.gz MBAGCAVYYUEDDC-UHFFFAOYSA-N 1 3 332.492 1.973 20 0 EDADHO CCS(=O)(=O)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184780 319755097 /nfs/dbraw/zinc/75/50/97/319755097.db2.gz NJEARGZDQJJLAZ-WBVHZDCISA-N 1 3 338.473 1.657 20 0 EDADHO COC[C@H](NCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423201305 319756398 /nfs/dbraw/zinc/75/63/98/319756398.db2.gz ICBJXIXESQSIOQ-HNNXBMFYSA-N 1 3 331.382 1.888 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000283268024 443582885 /nfs/dbraw/zinc/58/28/85/443582885.db2.gz LCGROGIQVKPTLJ-UHFFFAOYSA-N 1 3 346.519 1.780 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000283268024 443582888 /nfs/dbraw/zinc/58/28/88/443582888.db2.gz LCGROGIQVKPTLJ-UHFFFAOYSA-N 1 3 346.519 1.780 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344240 320045087 /nfs/dbraw/zinc/04/50/87/320045087.db2.gz DUHRTRGKQCRKQC-DLBZAZTESA-N 1 3 325.497 1.770 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000444193045 320119682 /nfs/dbraw/zinc/11/96/82/320119682.db2.gz ZVWYOMZNZXPWSP-BJLQDIEVSA-N 1 3 345.487 1.812 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCC1 ZINC000457441382 320325990 /nfs/dbraw/zinc/32/59/90/320325990.db2.gz QOFIINNSHIBHAJ-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000288594404 443929430 /nfs/dbraw/zinc/92/94/30/443929430.db2.gz TUZQUHRDPKZNNJ-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c(F)c1 ZINC000559582029 321015860 /nfs/dbraw/zinc/01/58/60/321015860.db2.gz PKPNUDSLLMTKCK-UHFFFAOYSA-N 1 3 347.381 1.993 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCn3ccnc3)CC2)CC1 ZINC000561069707 321032397 /nfs/dbraw/zinc/03/23/97/321032397.db2.gz MJPJTTSNYJXSEI-UHFFFAOYSA-N 1 3 347.507 1.586 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)OC[C@H]3C)CC2)CC1 ZINC000561118077 321033696 /nfs/dbraw/zinc/03/36/96/321033696.db2.gz GWZJRXUPADUZNA-HZPDHXFCSA-N 1 3 337.508 1.819 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000561145261 321035078 /nfs/dbraw/zinc/03/50/78/321035078.db2.gz CUJYTLXWFUMCMM-ZWKOTPCHSA-N 1 3 346.475 1.329 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000563972480 321118522 /nfs/dbraw/zinc/11/85/22/321118522.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 1 3 339.524 1.925 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000563972480 321118523 /nfs/dbraw/zinc/11/85/23/321118523.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 1 3 339.524 1.925 20 0 EDADHO Cc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000566123813 321218352 /nfs/dbraw/zinc/21/83/52/321218352.db2.gz PGPKEICHJBAEBZ-MSOLQXFVSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000566123813 321218355 /nfs/dbraw/zinc/21/83/55/321218355.db2.gz PGPKEICHJBAEBZ-MSOLQXFVSA-N 1 3 336.476 1.825 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770195 321305944 /nfs/dbraw/zinc/30/59/44/321305944.db2.gz VNSCHZYXGMTFOE-ZWKOTPCHSA-N 1 3 330.476 1.682 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262692 321343137 /nfs/dbraw/zinc/34/31/37/321343137.db2.gz IFLOXDRYCPMDBH-HNNXBMFYSA-N 1 3 344.459 1.212 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2)CC1 ZINC000570573184 321349231 /nfs/dbraw/zinc/34/92/31/321349231.db2.gz MKZAHPUKVZXRFU-UHFFFAOYSA-N 1 3 330.476 1.782 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949571 321366244 /nfs/dbraw/zinc/36/62/44/321366244.db2.gz LKRUEEURBGXRJX-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000282266491 444131511 /nfs/dbraw/zinc/13/15/11/444131511.db2.gz AGGHATOTCZBTCB-LNLFQRSKSA-N 1 3 345.487 1.986 20 0 EDADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000282266491 444131517 /nfs/dbraw/zinc/13/15/17/444131517.db2.gz AGGHATOTCZBTCB-LNLFQRSKSA-N 1 3 345.487 1.986 20 0 EDADHO O=C(C[NH2+]C1CC1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000572281854 321424717 /nfs/dbraw/zinc/42/47/17/321424717.db2.gz WCYKAYABTLMROG-UHFFFAOYSA-N 1 3 335.423 1.537 20 0 EDADHO Cc1ccccc1-n1cc(CNC2CC[NH+](CCN(C)C)CC2)nn1 ZINC000289784289 444203143 /nfs/dbraw/zinc/20/31/43/444203143.db2.gz QFWCOLIARLOXQX-UHFFFAOYSA-N 1 3 342.491 1.691 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000290134299 444246753 /nfs/dbraw/zinc/24/67/53/444246753.db2.gz ZQRANIVGIIPFEH-QGZVFWFLSA-N 1 3 347.459 1.295 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290024652 444232426 /nfs/dbraw/zinc/23/24/26/444232426.db2.gz RJIZZWROAMIIAU-RVKKMQEKSA-N 1 3 333.476 1.754 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290024652 444232427 /nfs/dbraw/zinc/23/24/27/444232427.db2.gz RJIZZWROAMIIAU-RVKKMQEKSA-N 1 3 333.476 1.754 20 0 EDADHO C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC1 ZINC000577266476 321638027 /nfs/dbraw/zinc/63/80/27/321638027.db2.gz QRSYTQWJUGJORD-GOEBONIOSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426398 444291739 /nfs/dbraw/zinc/29/17/39/444291739.db2.gz PDONYXNHBNXGQC-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426398 444291741 /nfs/dbraw/zinc/29/17/41/444291741.db2.gz PDONYXNHBNXGQC-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000578331570 321758626 /nfs/dbraw/zinc/75/86/26/321758626.db2.gz CBXOHFRJMDLQGU-YJBOKZPZSA-N 1 3 345.491 1.948 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000580329187 322038404 /nfs/dbraw/zinc/03/84/04/322038404.db2.gz OFYNEIXBBGGJFP-VXGBXAGGSA-N 1 3 333.404 1.103 20 0 EDADHO CN1CC[C@@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000580873130 322105954 /nfs/dbraw/zinc/10/59/54/322105954.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 1 3 329.488 1.838 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000338240876 444583215 /nfs/dbraw/zinc/58/32/15/444583215.db2.gz YRNIYVDSESCDJP-IBGZPJMESA-N 1 3 335.467 1.793 20 0 EDADHO CCC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000343851353 444628047 /nfs/dbraw/zinc/62/80/47/444628047.db2.gz OXGHPKNDTJNTNZ-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000333011002 444628726 /nfs/dbraw/zinc/62/87/26/444628726.db2.gz SHQPOHSLLAPDGP-IKGGRYGDSA-N 1 3 338.496 1.100 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)nnn2C ZINC000340951235 444593307 /nfs/dbraw/zinc/59/33/07/444593307.db2.gz BFALLISMVCOMNP-UHFFFAOYSA-N 1 3 330.480 1.426 20 0 EDADHO O=C(NCCN1CCCCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332974124 444617559 /nfs/dbraw/zinc/61/75/59/444617559.db2.gz DXIWMFXHMUYLHA-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000332976314 444618048 /nfs/dbraw/zinc/61/80/48/444618048.db2.gz KQBYOHNFILXJED-JKSUJKDBSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)n2)CC1 ZINC000332976314 444618052 /nfs/dbraw/zinc/61/80/52/444618052.db2.gz KQBYOHNFILXJED-JKSUJKDBSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332995717 444625270 /nfs/dbraw/zinc/62/52/70/444625270.db2.gz FUGRSLBKMCPIOX-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341057044 444656433 /nfs/dbraw/zinc/65/64/33/444656433.db2.gz NOIKOJWOHCHKBW-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCO1 ZINC000341021287 444636511 /nfs/dbraw/zinc/63/65/11/444636511.db2.gz SUQNUEARYRYIGV-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCCO1 ZINC000341021287 444636514 /nfs/dbraw/zinc/63/65/14/444636514.db2.gz SUQNUEARYRYIGV-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO COC[C@H](NCc1ccncc1OCC[NH+](C)C)C1CCOCC1 ZINC000343991509 444714268 /nfs/dbraw/zinc/71/42/68/444714268.db2.gz QLIPGGKRZHVFGE-KRWDZBQOSA-N 1 3 337.464 1.553 20 0 EDADHO FC(F)(F)[C@@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641886 444687366 /nfs/dbraw/zinc/68/73/66/444687366.db2.gz XKFQHDLGNSVDJV-MNOVXSKESA-N 1 3 333.358 1.471 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000342781226 444864269 /nfs/dbraw/zinc/86/42/69/444864269.db2.gz NGAGBVSLCCTWBP-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000342781226 444864273 /nfs/dbraw/zinc/86/42/73/444864273.db2.gz NGAGBVSLCCTWBP-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1 ZINC000343039495 445022672 /nfs/dbraw/zinc/02/26/72/445022672.db2.gz JXUTYRPQNVAELW-MOPGFXCFSA-N 1 3 344.503 1.576 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000339223560 445098947 /nfs/dbraw/zinc/09/89/47/445098947.db2.gz BVHCEURSFVNIQO-HZPDHXFCSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000339223560 445098952 /nfs/dbraw/zinc/09/89/52/445098952.db2.gz BVHCEURSFVNIQO-HZPDHXFCSA-N 1 3 325.497 1.722 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)CC1 ZINC000339460815 445144135 /nfs/dbraw/zinc/14/41/35/445144135.db2.gz JRPAMTJODBEOLZ-IEBWSBKVSA-N 1 3 349.519 1.820 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C1 ZINC000346182825 445207787 /nfs/dbraw/zinc/20/77/87/445207787.db2.gz DXXYGNJBGGBHPH-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000359680810 445372488 /nfs/dbraw/zinc/37/24/88/445372488.db2.gz QQDZABDINMRBAU-SQNIBIBYSA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000359680810 445372492 /nfs/dbraw/zinc/37/24/92/445372492.db2.gz QQDZABDINMRBAU-SQNIBIBYSA-N 1 3 327.513 1.434 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000362482541 445405619 /nfs/dbraw/zinc/40/56/19/445405619.db2.gz GXPRXIQIIUAQIY-KRWDZBQOSA-N 1 3 333.480 1.256 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362523835 445423238 /nfs/dbraw/zinc/42/32/38/445423238.db2.gz GNXHLOMEAIGYPM-UHFFFAOYSA-N 1 3 343.874 1.959 20 0 EDADHO CC[C@H](CNC(=O)CCOC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000349007919 445474046 /nfs/dbraw/zinc/47/40/46/445474046.db2.gz VQXKONSHFGKIER-QGZVFWFLSA-N 1 3 331.460 1.318 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000349007012 445474203 /nfs/dbraw/zinc/47/42/03/445474203.db2.gz UVWMYSHRKTUZJO-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000349007012 445474208 /nfs/dbraw/zinc/47/42/08/445474208.db2.gz UVWMYSHRKTUZJO-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CC[C@H](C(=O)N(C)C1CCN(CCn2cccn2)CC1)[NH+](CC)CC ZINC000359799204 445434475 /nfs/dbraw/zinc/43/44/75/445434475.db2.gz PZCKOPNNONZGFJ-GOSISDBHSA-N 1 3 349.523 1.926 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000355418733 445459384 /nfs/dbraw/zinc/45/93/84/445459384.db2.gz LGQAUOHFESZBQO-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723994 445519349 /nfs/dbraw/zinc/51/93/49/445519349.db2.gz OWBOXOIMTMZULA-YJBOKZPZSA-N 1 3 333.476 1.483 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723994 445519351 /nfs/dbraw/zinc/51/93/51/445519351.db2.gz OWBOXOIMTMZULA-YJBOKZPZSA-N 1 3 333.476 1.483 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000359914589 445485992 /nfs/dbraw/zinc/48/59/92/445485992.db2.gz UWSNKRNDAHCWMS-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000359914589 445485995 /nfs/dbraw/zinc/48/59/95/445485995.db2.gz UWSNKRNDAHCWMS-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923136 445611437 /nfs/dbraw/zinc/61/14/37/445611437.db2.gz QRUXYLCXKPAXQX-CQSZACIVSA-N 1 3 332.423 1.984 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353469267 445615514 /nfs/dbraw/zinc/61/55/14/445615514.db2.gz PUVGWNRNEOSRJN-ZDUSSCGKSA-N 1 3 333.354 1.523 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000349663593 445639476 /nfs/dbraw/zinc/63/94/76/445639476.db2.gz DUDIUOCEPCPTBB-QGZVFWFLSA-N 1 3 342.553 1.941 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000360259772 445663316 /nfs/dbraw/zinc/66/33/16/445663316.db2.gz ZJCYMCGJOKIWIN-CJNGLKHVSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCSC1 ZINC000360259772 445663320 /nfs/dbraw/zinc/66/33/20/445663320.db2.gz ZJCYMCGJOKIWIN-CJNGLKHVSA-N 1 3 326.510 1.207 20 0 EDADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)OC ZINC000360594128 445715607 /nfs/dbraw/zinc/71/56/07/445715607.db2.gz CGQODLZVKCZSNB-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)OC ZINC000360594128 445715610 /nfs/dbraw/zinc/71/56/10/445715610.db2.gz CGQODLZVKCZSNB-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[NH+](CC)CC ZINC000353779037 445751355 /nfs/dbraw/zinc/75/13/55/445751355.db2.gz IACRMMWBMZXERI-SJORKVTESA-N 1 3 326.529 1.497 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000358828549 445797335 /nfs/dbraw/zinc/79/73/35/445797335.db2.gz OTRJEIVFDRYEEB-OAHLLOKOSA-N 1 3 340.512 1.022 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876244 /nfs/dbraw/zinc/87/62/44/445876244.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 1 3 334.508 1.146 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876248 /nfs/dbraw/zinc/87/62/48/445876248.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 1 3 334.508 1.146 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353971274 445834634 /nfs/dbraw/zinc/83/46/34/445834634.db2.gz JICPQFDMMBXFNW-HNNXBMFYSA-N 1 3 331.526 1.653 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000361804262 445958922 /nfs/dbraw/zinc/95/89/22/445958922.db2.gz PMJTVYJVYCGNHJ-BRWVUGGUSA-N 1 3 337.512 1.086 20 0 EDADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000369210226 445996491 /nfs/dbraw/zinc/99/64/91/445996491.db2.gz UUGWJBLSTHQZHR-GOSISDBHSA-N 1 3 347.507 1.935 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C[C@H]1C ZINC000361792591 445950143 /nfs/dbraw/zinc/95/01/43/445950143.db2.gz OBWBWBURDVRITJ-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)C[C@H]1C ZINC000361792591 445950149 /nfs/dbraw/zinc/95/01/49/445950149.db2.gz OBWBWBURDVRITJ-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO COc1cc(F)c([C@@H](C)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000361888240 446042014 /nfs/dbraw/zinc/04/20/14/446042014.db2.gz ITGWSMCDKZYSGZ-GFCCVEGCSA-N 1 3 326.412 1.950 20 0 EDADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)NCc1ccccc1 ZINC000359224300 446053817 /nfs/dbraw/zinc/05/38/17/446053817.db2.gz SBANFZVXGDXYIR-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)N1CCCCC1 ZINC000351484052 446083595 /nfs/dbraw/zinc/08/35/95/446083595.db2.gz CDYVSJKPRWAOLL-KRWDZBQOSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCCCC1 ZINC000351484052 446083599 /nfs/dbraw/zinc/08/35/99/446083599.db2.gz CDYVSJKPRWAOLL-KRWDZBQOSA-N 1 3 325.497 1.412 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000365411883 446195135 /nfs/dbraw/zinc/19/51/35/446195135.db2.gz KWRGJIRJFOTIOE-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000365411883 446195140 /nfs/dbraw/zinc/19/51/40/446195140.db2.gz KWRGJIRJFOTIOE-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCN1CCOCC1 ZINC000362197875 446258000 /nfs/dbraw/zinc/25/80/00/446258000.db2.gz DKUCUTGRPZGHIN-GUDVDZBRSA-N 1 3 339.524 1.578 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC[C@H]3O)CC2)CC1 ZINC000365717004 446312790 /nfs/dbraw/zinc/31/27/90/446312790.db2.gz NKILVWSWJZFSCQ-RHSMWYFYSA-N 1 3 338.496 1.005 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C[C@@H]1CNC(=O)O1 ZINC000366781077 446348535 /nfs/dbraw/zinc/34/85/35/446348535.db2.gz REZGSGWBIFAJHN-KRWDZBQOSA-N 1 3 338.496 1.223 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417501908 446356018 /nfs/dbraw/zinc/35/60/18/446356018.db2.gz ARSBTIBOPNCLCB-QGZVFWFLSA-N 1 3 348.491 1.563 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516662 446360457 /nfs/dbraw/zinc/36/04/57/446360457.db2.gz OHUZRCFNNVKCDF-AEFFLSMTSA-N 1 3 348.491 1.605 20 0 EDADHO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374298204 446361258 /nfs/dbraw/zinc/36/12/58/446361258.db2.gz SDXFZZWFCLFHMZ-IBGZPJMESA-N 1 3 348.539 1.775 20 0 EDADHO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000374298204 446361263 /nfs/dbraw/zinc/36/12/63/446361263.db2.gz SDXFZZWFCLFHMZ-IBGZPJMESA-N 1 3 348.539 1.775 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417532394 446362599 /nfs/dbraw/zinc/36/25/99/446362599.db2.gz VVAJHZZVGFMJHO-YJBOKZPZSA-N 1 3 348.491 1.609 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417831973 446374295 /nfs/dbraw/zinc/37/42/95/446374295.db2.gz SQOJMIIVBROSDW-KBAYOESNSA-N 1 3 330.476 1.887 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000417871422 446375513 /nfs/dbraw/zinc/37/55/13/446375513.db2.gz JLHTXECVNGBUJS-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891236 446390702 /nfs/dbraw/zinc/39/07/02/446390702.db2.gz QPSYXJYKWSEFGA-KBAYOESNSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891236 446390709 /nfs/dbraw/zinc/39/07/09/446390709.db2.gz QPSYXJYKWSEFGA-KBAYOESNSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC(C)(C)CCC[NH3+])ccn1 ZINC000417950315 446395477 /nfs/dbraw/zinc/39/54/77/446395477.db2.gz LOQVNOGYWWOIGM-UHFFFAOYSA-N 1 3 337.468 1.339 20 0 EDADHO OCCCN1CCC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423143353 446440359 /nfs/dbraw/zinc/44/03/59/446440359.db2.gz CRSKXSYRXQROJA-XKGZKEIXSA-N 1 3 345.487 1.679 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000418163471 446444267 /nfs/dbraw/zinc/44/42/67/446444267.db2.gz DLQJRYXPYWSJHF-INMHGKMJSA-N 1 3 334.464 1.355 20 0 EDADHO Cc1c(C(=O)Nc2ccc3c(c2)CNCC3)nnn1C1CC[NH2+]CC1 ZINC000370793000 446445696 /nfs/dbraw/zinc/44/56/96/446445696.db2.gz GCLZYSFGIPNZCS-UHFFFAOYSA-N 1 3 340.431 1.409 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000418189593 446454203 /nfs/dbraw/zinc/45/42/03/446454203.db2.gz HXMGJUREEZCUHY-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]([NH3+])C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000420291752 446455956 /nfs/dbraw/zinc/45/59/56/446455956.db2.gz KRMLGZQEHUNAIY-MAUKXSAKSA-N 1 3 332.492 1.465 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299864 446461976 /nfs/dbraw/zinc/46/19/76/446461976.db2.gz JPUAOQCVLYPXLJ-KBXCAEBGSA-N 1 3 347.459 1.741 20 0 EDADHO CC(C)C[C@@H](CN)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423261773 446468655 /nfs/dbraw/zinc/46/86/55/446468655.db2.gz KUMVAWLFFHUARH-XJKSGUPXSA-N 1 3 325.478 1.674 20 0 EDADHO Cc1cccc(NC(=O)CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1C ZINC000420303941 446468716 /nfs/dbraw/zinc/46/87/16/446468716.db2.gz OAMFCZMXZCJPRM-GOSISDBHSA-N 1 3 344.503 1.859 20 0 EDADHO CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CCOC ZINC000420309747 446472884 /nfs/dbraw/zinc/47/28/84/446472884.db2.gz FEYFFRHEMWDEJT-QZTJIDSGSA-N 1 3 335.492 1.780 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@@H]2c2nccn2C)cc1 ZINC000420310686 446473786 /nfs/dbraw/zinc/47/37/86/446473786.db2.gz GOYDPNWZLKPCAG-DOTOQJQBSA-N 1 3 329.448 1.118 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418283501 446482967 /nfs/dbraw/zinc/48/29/67/446482967.db2.gz KNSNPSLGQVCWGQ-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO Brc1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420323735 446490201 /nfs/dbraw/zinc/49/02/01/446490201.db2.gz URQVLAVAPBURBI-ZDUSSCGKSA-N 1 3 339.281 1.966 20 0 EDADHO O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418301874 446491202 /nfs/dbraw/zinc/49/12/02/446491202.db2.gz AJMXIMXOOOUEQK-ZWKOTPCHSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370180 446505138 /nfs/dbraw/zinc/50/51/38/446505138.db2.gz UHPSMQNSIXQYMK-PMPSAXMXSA-N 1 3 347.507 1.737 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000423375823 446508617 /nfs/dbraw/zinc/50/86/17/446508617.db2.gz IXKCPAJOHCTQMD-JSGCOSHPSA-N 1 3 346.431 1.483 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324002 446499383 /nfs/dbraw/zinc/49/93/83/446499383.db2.gz GKWBJVFIYNWTHJ-IRXDYDNUSA-N 1 3 331.464 1.297 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)N(C)C1 ZINC000418480084 446559723 /nfs/dbraw/zinc/55/97/23/446559723.db2.gz CDWYSBSIMRGVJT-COXVUDFISA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000433169378 446542382 /nfs/dbraw/zinc/54/23/82/446542382.db2.gz QYRYMJGWXYLKPM-QGZVFWFLSA-N 1 3 346.519 1.826 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503477 446570473 /nfs/dbraw/zinc/57/04/73/446570473.db2.gz XVLZFHAPJMTMAU-ZWKOTPCHSA-N 1 3 345.491 1.815 20 0 EDADHO CN(CC1CCN(c2ccncc2)CC1)C(=O)NCC1([NH3+])CCC1 ZINC000418506866 446571329 /nfs/dbraw/zinc/57/13/29/446571329.db2.gz HNBSMXORGLHXMN-UHFFFAOYSA-N 1 3 331.464 1.821 20 0 EDADHO O=C1N[C@H]2CN(CCCc3ccsc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397247 446571844 /nfs/dbraw/zinc/57/18/44/446571844.db2.gz FKGOKZYQGUOWLA-IRXDYDNUSA-N 1 3 348.516 1.901 20 0 EDADHO [NH3+]C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CCCC1 ZINC000418588330 446605096 /nfs/dbraw/zinc/60/50/96/446605096.db2.gz HUZNCDCZQUFFML-KRWDZBQOSA-N 1 3 338.496 1.258 20 0 EDADHO O=C(NCCC[C@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000418756638 446676210 /nfs/dbraw/zinc/67/62/10/446676210.db2.gz YLNIXCCXEIVMND-QGZVFWFLSA-N 1 3 338.496 1.272 20 0 EDADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](CC)CC2)C12CCCC2 ZINC000411721928 446658353 /nfs/dbraw/zinc/65/83/53/446658353.db2.gz PRXFJFASNRMMBH-IAGOWNOFSA-N 1 3 337.508 1.914 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCCOCC1 ZINC000368042756 446621224 /nfs/dbraw/zinc/62/12/24/446621224.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 1 3 325.497 1.188 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCCOCC1 ZINC000368042756 446621229 /nfs/dbraw/zinc/62/12/29/446621229.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 1 3 325.497 1.188 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418634300 446625701 /nfs/dbraw/zinc/62/57/01/446625701.db2.gz JEOHMJHVGCEBPX-CUSZFKRNSA-N 1 3 328.460 1.561 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418652087 446634507 /nfs/dbraw/zinc/63/45/07/446634507.db2.gz MKFNDZRWFFLKHI-YFHUEUNASA-N 1 3 330.476 1.936 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423771649 446698096 /nfs/dbraw/zinc/69/80/96/446698096.db2.gz JRXBXXUVVKSPKO-GJZGRUSLSA-N 1 3 325.840 1.437 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418780760 446699467 /nfs/dbraw/zinc/69/94/67/446699467.db2.gz CGEMTRRQRQTLMY-DLBZAZTESA-N 1 3 339.528 1.173 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000418874091 446765910 /nfs/dbraw/zinc/76/59/10/446765910.db2.gz ZBBJFEHXAUGAQD-HUUCEWRRSA-N 1 3 340.512 1.117 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285697 446743474 /nfs/dbraw/zinc/74/34/74/446743474.db2.gz VQBXTVSAWXCLDM-BZSNNMDCSA-N 1 3 325.497 1.188 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285697 446743483 /nfs/dbraw/zinc/74/34/83/446743483.db2.gz VQBXTVSAWXCLDM-BZSNNMDCSA-N 1 3 325.497 1.188 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424039646 446828253 /nfs/dbraw/zinc/82/82/53/446828253.db2.gz OWVCFGUZANXMMR-MRXNPFEDSA-N 1 3 332.492 1.470 20 0 EDADHO C[C@@H]1C[C@H](N2CCCC2)CN1N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000377007983 446857078 /nfs/dbraw/zinc/85/70/78/446857078.db2.gz RTINMCWBMJWXNU-HVMFNXBNSA-N 1 3 336.524 1.644 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154053 446859838 /nfs/dbraw/zinc/85/98/38/446859838.db2.gz KZLJTIJHOIJIMJ-QKPAOTATSA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154047 446860076 /nfs/dbraw/zinc/86/00/76/446860076.db2.gz KZLJTIJHOIJIMJ-FZKCQIBNSA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H](CNC(=O)NCCc1ccc(OCCN(C)C)cc1)[NH+](C)C ZINC000454425596 446869614 /nfs/dbraw/zinc/86/96/14/446869614.db2.gz DRFIJTGPBIROIO-HNNXBMFYSA-N 1 3 336.480 1.419 20 0 EDADHO C[C@@H](CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000454425596 446869621 /nfs/dbraw/zinc/86/96/21/446869621.db2.gz DRFIJTGPBIROIO-HNNXBMFYSA-N 1 3 336.480 1.419 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000419023473 446870668 /nfs/dbraw/zinc/87/06/68/446870668.db2.gz JPDIYXWSKDDTGQ-OAGGEKHMSA-N 1 3 340.512 1.055 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCCN1C ZINC000412254830 446911461 /nfs/dbraw/zinc/91/14/61/446911461.db2.gz YRHKHUIUCDRNPO-FVQBIDKESA-N 1 3 325.522 1.803 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634262 446939986 /nfs/dbraw/zinc/93/99/86/446939986.db2.gz HIRRKARDPHQBKY-VYIWNADRSA-N 1 3 335.492 1.382 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977494 446948736 /nfs/dbraw/zinc/94/87/36/446948736.db2.gz IGTMAXSKILAFIK-IBGZPJMESA-N 1 3 344.503 1.705 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977494 446948742 /nfs/dbraw/zinc/94/87/42/446948742.db2.gz IGTMAXSKILAFIK-IBGZPJMESA-N 1 3 344.503 1.705 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419148665 446964911 /nfs/dbraw/zinc/96/49/11/446964911.db2.gz DMNKDHNQHGFOBH-OAGGEKHMSA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)([NH3+])CC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000372105096 447003657 /nfs/dbraw/zinc/00/36/57/447003657.db2.gz GPJAHYXPDMMAQH-KRWDZBQOSA-N 1 3 333.476 1.676 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000372105769 447005043 /nfs/dbraw/zinc/00/50/43/447005043.db2.gz QMWPYRKUUDLJSJ-OTWHNJEPSA-N 1 3 345.487 1.676 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000419407157 447156478 /nfs/dbraw/zinc/15/64/78/447156478.db2.gz JRKOXAQGAFCJFH-HUUCEWRRSA-N 1 3 346.475 1.171 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000455654858 447197113 /nfs/dbraw/zinc/19/71/13/447197113.db2.gz HYZMLLDKIORKGN-UHFFFAOYSA-N 1 3 336.484 1.687 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000372737119 447259120 /nfs/dbraw/zinc/25/91/20/447259120.db2.gz DLMSEMPTIHHLAF-SJORKVTESA-N 1 3 339.528 1.137 20 0 EDADHO CO[C@H](CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247373 447451579 /nfs/dbraw/zinc/45/15/79/447451579.db2.gz ZIJRXBPZPMXNRK-BHIYHBOVSA-N 1 3 345.487 1.954 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1CN(C)C ZINC000415509602 447487929 /nfs/dbraw/zinc/48/79/29/447487929.db2.gz WXALWDUYLHDBLG-KRWDZBQOSA-N 1 3 348.491 1.827 20 0 EDADHO O=C(C[NH2+]CC1CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390955953 447508505 /nfs/dbraw/zinc/50/85/05/447508505.db2.gz YOJHGFWQOONUTR-GOSISDBHSA-N 1 3 331.460 1.393 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458759163 447473337 /nfs/dbraw/zinc/47/33/37/447473337.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458759163 447473344 /nfs/dbraw/zinc/47/33/44/447473344.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCCN1CCCO ZINC000457538401 447591619 /nfs/dbraw/zinc/59/16/19/447591619.db2.gz ZFQGMSUJAIHXAL-MRXNPFEDSA-N 1 3 326.485 1.008 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419993372 447533607 /nfs/dbraw/zinc/53/36/07/447533607.db2.gz KFPVBKXZOOYRMS-CQSZACIVSA-N 1 3 340.512 1.199 20 0 EDADHO O=C1C[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCCN1 ZINC000397706133 447551754 /nfs/dbraw/zinc/55/17/54/447551754.db2.gz XJYNGCYKUBIZAB-KRWDZBQOSA-N 1 3 331.460 1.272 20 0 EDADHO COCCN(C)C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554438 /nfs/dbraw/zinc/55/44/38/447554438.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 1 3 349.519 1.426 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048771 447708533 /nfs/dbraw/zinc/70/85/33/447708533.db2.gz OSISOZAZXKIDGT-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422713856 447725578 /nfs/dbraw/zinc/72/55/78/447725578.db2.gz KJGJSCFWHYFIQH-IPMKNSEASA-N 1 3 343.519 1.844 20 0 EDADHO CC(C)C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422801842 447754240 /nfs/dbraw/zinc/75/42/40/447754240.db2.gz GGLGGTWKIHBHAA-NCXUSEDFSA-N 1 3 339.524 1.480 20 0 EDADHO CC(C)C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422801840 447754523 /nfs/dbraw/zinc/75/45/23/447754523.db2.gz GGLGGTWKIHBHAA-AKHDSKFASA-N 1 3 339.524 1.480 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000422802097 447754573 /nfs/dbraw/zinc/75/45/73/447754573.db2.gz AWDFGQNUKUTBIR-KBXCAEBGSA-N 1 3 347.484 1.425 20 0 EDADHO C[N@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000458335734 447772767 /nfs/dbraw/zinc/77/27/67/447772767.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C1CCCC1 ZINC000458335734 447772773 /nfs/dbraw/zinc/77/27/73/447772773.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458340139 447773065 /nfs/dbraw/zinc/77/30/65/447773065.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458340139 447773067 /nfs/dbraw/zinc/77/30/67/447773067.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 1 3 340.512 1.395 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1 ZINC000422939592 447776455 /nfs/dbraw/zinc/77/64/55/447776455.db2.gz MEPXKHMLWSCZJW-HZPDHXFCSA-N 1 3 325.478 1.687 20 0 EDADHO CC[C@H](NC[C@H](O)CN1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963540 447782402 /nfs/dbraw/zinc/78/24/02/447782402.db2.gz GFNORDDHXXBFIC-SLFFLAALSA-N 1 3 331.504 1.916 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2ccc(OC)c(O)c2)CC[NH2+]CC1 ZINC000422975681 447785773 /nfs/dbraw/zinc/78/57/73/447785773.db2.gz UABMMXYGGSLBPQ-CYBMUJFWSA-N 1 3 336.432 1.812 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000423033500 447795497 /nfs/dbraw/zinc/79/54/97/447795497.db2.gz OMQPWVJTFNRXEQ-MNEFBYGVSA-N 1 3 333.476 1.110 20 0 EDADHO Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1C(=O)N[C@@H](C)CN(C)C ZINC000451983349 447795761 /nfs/dbraw/zinc/79/57/61/447795761.db2.gz UQZMNLKTDCEIDL-GJZGRUSLSA-N 1 3 348.491 1.355 20 0 EDADHO Cc1ccc(C(=O)N[C@@H](C)CN(C)C)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000451983349 447795763 /nfs/dbraw/zinc/79/57/63/447795763.db2.gz UQZMNLKTDCEIDL-GJZGRUSLSA-N 1 3 348.491 1.355 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637484 447806208 /nfs/dbraw/zinc/80/62/08/447806208.db2.gz WQUUJEDEJSWFQT-SJLPKXTDSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2CN(C)C)CCCO1 ZINC000487645272 447835691 /nfs/dbraw/zinc/83/56/91/447835691.db2.gz WCACJUZSOXYFEZ-INIZCTEOSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)c2ccccc2CN(C)C)CCCO1 ZINC000487645272 447835692 /nfs/dbraw/zinc/83/56/92/447835692.db2.gz WCACJUZSOXYFEZ-INIZCTEOSA-N 1 3 333.476 1.979 20 0 EDADHO C[N@H+](Cc1ccc2c(c1)CNCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000575874868 447918861 /nfs/dbraw/zinc/91/88/61/447918861.db2.gz KSRCTDCMJZMZRP-UHFFFAOYSA-N 1 3 337.489 1.188 20 0 EDADHO C[N@@H+](Cc1ccc2c(c1)CNCC2)C1CCN(S(C)(=O)=O)CC1 ZINC000575874868 447918867 /nfs/dbraw/zinc/91/88/67/447918867.db2.gz KSRCTDCMJZMZRP-UHFFFAOYSA-N 1 3 337.489 1.188 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814456 447963817 /nfs/dbraw/zinc/96/38/17/447963817.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 1 3 331.460 1.224 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814456 447963821 /nfs/dbraw/zinc/96/38/21/447963821.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 1 3 331.460 1.224 20 0 EDADHO CC(=O)c1cccc(O[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000530880538 447976659 /nfs/dbraw/zinc/97/66/59/447976659.db2.gz UBALACVEZHQAHN-MRXNPFEDSA-N 1 3 349.475 1.608 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000570630048 448038389 /nfs/dbraw/zinc/03/83/89/448038389.db2.gz GSBIAAIPZARGRW-YJBOKZPZSA-N 1 3 346.475 1.492 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531303414 448059831 /nfs/dbraw/zinc/05/98/31/448059831.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303414 448059833 /nfs/dbraw/zinc/05/98/33/448059833.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 1 3 345.487 1.612 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000576558643 448081544 /nfs/dbraw/zinc/08/15/44/448081544.db2.gz IJGUKPHOUDCVTC-MRXNPFEDSA-N 1 3 327.517 1.042 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000576558643 448081551 /nfs/dbraw/zinc/08/15/51/448081551.db2.gz IJGUKPHOUDCVTC-MRXNPFEDSA-N 1 3 327.517 1.042 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482903 448091540 /nfs/dbraw/zinc/09/15/40/448091540.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482903 448091543 /nfs/dbraw/zinc/09/15/43/448091543.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1=CCN(C)CC1 ZINC000576647850 448106468 /nfs/dbraw/zinc/10/64/68/448106468.db2.gz HFNINJUCKZDYSP-RHSMWYFYSA-N 1 3 337.533 1.971 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149345 448111059 /nfs/dbraw/zinc/11/10/59/448111059.db2.gz WCALBRNEGMACPX-QAPCUYQASA-N 1 3 328.460 1.726 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C[C@H](C)O1 ZINC000577052464 448200101 /nfs/dbraw/zinc/20/01/01/448200101.db2.gz GTIKLTIGZAFQMA-NBMJBFSESA-N 1 3 347.503 1.821 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000577731586 448372239 /nfs/dbraw/zinc/37/22/39/448372239.db2.gz IARCIXBNCKMNKJ-CQSZACIVSA-N 1 3 343.406 1.845 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493089093 448369358 /nfs/dbraw/zinc/36/93/58/448369358.db2.gz IPDPRDCVQJAKOJ-GLZCGUJJSA-N 1 3 331.460 1.548 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000582894670 448370684 /nfs/dbraw/zinc/37/06/84/448370684.db2.gz AMVVSVBHLBETGJ-NXHRZFHOSA-N 1 3 346.475 1.409 20 0 EDADHO COCC1(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843194 448399062 /nfs/dbraw/zinc/39/90/62/448399062.db2.gz LNWQQYWPWNHNLK-HNNXBMFYSA-N 1 3 340.512 1.422 20 0 EDADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1cnc2ccccc21 ZINC000533505101 448412446 /nfs/dbraw/zinc/41/24/46/448412446.db2.gz MEMKNZJGOXUOJT-HNNXBMFYSA-N 1 3 331.464 1.549 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000578335829 448520448 /nfs/dbraw/zinc/52/04/48/448520448.db2.gz SGHAQRBASBKPFL-MRXNPFEDSA-N 1 3 333.476 1.975 20 0 EDADHO Cc1cc(N2CC[C@H](N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376083 448577307 /nfs/dbraw/zinc/57/73/07/448577307.db2.gz HIVYKGPSBAXNFS-OAGGEKHMSA-N 1 3 331.464 1.155 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573485274 448638427 /nfs/dbraw/zinc/63/84/27/448638427.db2.gz KXUVRNLMDRKUCB-KSZLIROESA-N 1 3 328.460 1.362 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000579211941 448740827 /nfs/dbraw/zinc/74/08/27/448740827.db2.gz BPMFTVBQLMYXKV-SJORKVTESA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000579211941 448740832 /nfs/dbraw/zinc/74/08/32/448740832.db2.gz BPMFTVBQLMYXKV-SJORKVTESA-N 1 3 342.443 1.014 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000519271117 448756029 /nfs/dbraw/zinc/75/60/29/448756029.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 1 3 328.460 1.600 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000519271117 448756031 /nfs/dbraw/zinc/75/60/31/448756031.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 1 3 328.460 1.600 20 0 EDADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)ncn1 ZINC000574188798 448813280 /nfs/dbraw/zinc/81/32/80/448813280.db2.gz ZQXZNQFPEWDEIV-QSPRXWTASA-N 1 3 333.480 1.350 20 0 EDADHO CC[C@H](C)N1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000519525055 448777319 /nfs/dbraw/zinc/77/73/19/448777319.db2.gz FCPJDKWFJAVJIU-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000529390389 448854500 /nfs/dbraw/zinc/85/45/00/448854500.db2.gz YOOHCHJXMJDOCC-CEXWTWQISA-N 1 3 347.503 1.573 20 0 EDADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000529390389 448854502 /nfs/dbraw/zinc/85/45/02/448854502.db2.gz YOOHCHJXMJDOCC-CEXWTWQISA-N 1 3 347.503 1.573 20 0 EDADHO C[C@H](NC(C)(C)C[NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946863 448917981 /nfs/dbraw/zinc/91/79/81/448917981.db2.gz COKHPRNKLOXDSY-PKOBYXMFSA-N 1 3 348.535 1.314 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC[C@@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946863 448917987 /nfs/dbraw/zinc/91/79/87/448917987.db2.gz COKHPRNKLOXDSY-PKOBYXMFSA-N 1 3 348.535 1.314 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530277514 449101609 /nfs/dbraw/zinc/10/16/09/449101609.db2.gz WBWKMFCFJYZBPK-ZWKOTPCHSA-N 1 3 337.508 1.913 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900833 449242080 /nfs/dbraw/zinc/24/20/80/449242080.db2.gz MVIFYSJWOUPKIM-ZBFHGGJFSA-N 1 3 338.496 1.568 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929629 449260247 /nfs/dbraw/zinc/26/02/47/449260247.db2.gz NSCGDTKINSZGSO-HKUYNNGSSA-N 1 3 342.487 1.459 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095138 449340513 /nfs/dbraw/zinc/34/05/13/449340513.db2.gz DGLQKAXZYKNJPQ-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095138 449340520 /nfs/dbraw/zinc/34/05/20/449340520.db2.gz DGLQKAXZYKNJPQ-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO CS[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1N1CCCC1 ZINC000602136794 449374969 /nfs/dbraw/zinc/37/49/69/449374969.db2.gz UKHKQMFFWKAOCW-HZPDHXFCSA-N 1 3 337.533 1.901 20 0 EDADHO CSC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596692980 449609239 /nfs/dbraw/zinc/60/92/39/449609239.db2.gz OXRTXZIJUVTWPP-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO CSC[C@H]1CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596692980 449609247 /nfs/dbraw/zinc/60/92/47/449609247.db2.gz OXRTXZIJUVTWPP-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2cnccc2s1 ZINC000617507571 449658200 /nfs/dbraw/zinc/65/82/00/449658200.db2.gz AIJHTWUWEZFPTR-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2cnccc2s1 ZINC000617507571 449658205 /nfs/dbraw/zinc/65/82/05/449658205.db2.gz AIJHTWUWEZFPTR-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698804 449631715 /nfs/dbraw/zinc/63/17/15/449631715.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 1 3 330.476 1.752 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698804 449631721 /nfs/dbraw/zinc/63/17/21/449631721.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 1 3 330.476 1.752 20 0 EDADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C(C)(C)C ZINC000617504785 449648786 /nfs/dbraw/zinc/64/87/86/449648786.db2.gz KEPMMOXVHLOKTE-AWEZNQCLSA-N 1 3 337.512 1.948 20 0 EDADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C(C)(C)C ZINC000617504785 449648794 /nfs/dbraw/zinc/64/87/94/449648794.db2.gz KEPMMOXVHLOKTE-AWEZNQCLSA-N 1 3 337.512 1.948 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCn1cnc2ccccc21 ZINC000617504393 449649145 /nfs/dbraw/zinc/64/91/45/449649145.db2.gz UBHPDRYRAWPCHY-INIZCTEOSA-N 1 3 345.491 1.815 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCn1cnc2ccccc21 ZINC000617504393 449649148 /nfs/dbraw/zinc/64/91/48/449649148.db2.gz UBHPDRYRAWPCHY-INIZCTEOSA-N 1 3 345.491 1.815 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215199 449755187 /nfs/dbraw/zinc/75/51/87/449755187.db2.gz UFXQZVTXWWQRSX-GOSISDBHSA-N 1 3 346.475 1.017 20 0 EDADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000615308815 450056878 /nfs/dbraw/zinc/05/68/78/450056878.db2.gz OEVFOGCTMFXDPM-NJAFHUGGSA-N 1 3 330.476 1.845 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4COC[C@@]4(C)C3)CC2)CC1 ZINC000618702424 450275379 /nfs/dbraw/zinc/27/53/79/450275379.db2.gz RCKYRLABFRNMSP-FXAWDEMLSA-N 1 3 349.519 1.678 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000623071354 450390413 /nfs/dbraw/zinc/39/04/13/450390413.db2.gz GIVLKUVWOLNCPC-MRXNPFEDSA-N 1 3 346.475 1.967 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000616784424 450484250 /nfs/dbraw/zinc/48/42/50/450484250.db2.gz KYZZSDLIBVHJMU-IYBDPMFKSA-N 1 3 340.512 1.214 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000616784424 450484252 /nfs/dbraw/zinc/48/42/52/450484252.db2.gz KYZZSDLIBVHJMU-IYBDPMFKSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H](C)N1 ZINC000620898184 450557114 /nfs/dbraw/zinc/55/71/14/450557114.db2.gz QWOQQDBAXZQKIU-NUEKZKHPSA-N 1 3 325.522 1.803 20 0 EDADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000621010796 450572814 /nfs/dbraw/zinc/57/28/14/450572814.db2.gz JMBDIAZDMAXJPC-QGZVFWFLSA-N 1 3 336.455 1.993 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000623837300 450609719 /nfs/dbraw/zinc/60/97/19/450609719.db2.gz VZJDPIUIVPHIQS-QGZVFWFLSA-N 1 3 332.492 1.998 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633012713 450610238 /nfs/dbraw/zinc/61/02/38/450610238.db2.gz IEMVZYDDEIKCNN-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1CN(C)C ZINC000633022552 450617083 /nfs/dbraw/zinc/61/70/83/450617083.db2.gz LWKVBROKUBTJDZ-UKRRQHHQSA-N 1 3 332.448 1.048 20 0 EDADHO CN1CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1(C)C ZINC000623997365 450664597 /nfs/dbraw/zinc/66/45/97/450664597.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CN1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1(C)C ZINC000623997365 450664604 /nfs/dbraw/zinc/66/46/04/450664604.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCCS(=O)(=O)N(CCC[NH+](C)C)Cc1ccccc1 ZINC000631656237 450698532 /nfs/dbraw/zinc/69/85/32/450698532.db2.gz OMYMSLMCTYJBTB-UHFFFAOYSA-N 1 3 341.521 1.722 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@@H]21 ZINC000624116971 450712295 /nfs/dbraw/zinc/71/22/95/450712295.db2.gz CNWKGAIERSXXSP-WCVJEAGWSA-N 1 3 341.463 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@@H]21 ZINC000624116971 450712296 /nfs/dbraw/zinc/71/22/96/450712296.db2.gz CNWKGAIERSXXSP-WCVJEAGWSA-N 1 3 341.463 1.165 20 0 EDADHO O[C@@H](CNC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558652 450734282 /nfs/dbraw/zinc/73/42/82/450734282.db2.gz LIKBIMIPSMMFSG-ZBFHGGJFSA-N 1 3 339.430 1.837 20 0 EDADHO COC1(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647825 450770930 /nfs/dbraw/zinc/77/09/30/450770930.db2.gz BIIIWTDEHGVGMP-CVEARBPZSA-N 1 3 336.480 1.166 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000624411984 450839950 /nfs/dbraw/zinc/83/99/50/450839950.db2.gz CMMKDPIZZNZVAH-CALCHBBNSA-N 1 3 337.489 1.368 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797874 /nfs/dbraw/zinc/79/78/74/450797874.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797879 /nfs/dbraw/zinc/79/78/79/450797879.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797886 /nfs/dbraw/zinc/79/78/86/450797886.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 1 3 343.515 1.943 20 0 EDADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000621699269 450840373 /nfs/dbraw/zinc/84/03/73/450840373.db2.gz QFHRIJSZTPMWJR-PXNSSMCTSA-N 1 3 342.487 1.539 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629954938 450912874 /nfs/dbraw/zinc/91/28/74/450912874.db2.gz VHFPAGIPMBLUPY-IAGOWNOFSA-N 1 3 336.524 1.488 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccccc1 ZINC000635526556 451023314 /nfs/dbraw/zinc/02/33/14/451023314.db2.gz BODMGAIEQPFHAY-KZNAEPCWSA-N 1 3 332.492 1.976 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000626946153 451025885 /nfs/dbraw/zinc/02/58/85/451025885.db2.gz MDBYLFQBHPIFEK-RDJZCZTQSA-N 1 3 334.464 1.357 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000622136824 451061266 /nfs/dbraw/zinc/06/12/66/451061266.db2.gz VAYPAFICCBYIFG-JKSUJKDBSA-N 1 3 325.497 1.769 20 0 EDADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000632300865 451184432 /nfs/dbraw/zinc/18/44/32/451184432.db2.gz FARRAGZLDKZCPL-MRXNPFEDSA-N 1 3 331.526 1.655 20 0 EDADHO CN(C)CCCS(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000632300865 451184438 /nfs/dbraw/zinc/18/44/38/451184438.db2.gz FARRAGZLDKZCPL-MRXNPFEDSA-N 1 3 331.526 1.655 20 0 EDADHO [NH3+]CCCOCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000627213195 451189996 /nfs/dbraw/zinc/18/99/96/451189996.db2.gz XCFNPCIDTVXOBP-UHFFFAOYSA-N 1 3 326.485 1.259 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000630438828 451194741 /nfs/dbraw/zinc/19/47/41/451194741.db2.gz BBMBERSDVGWALR-QGZVFWFLSA-N 1 3 329.448 1.477 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638137089 451311080 /nfs/dbraw/zinc/31/10/80/451311080.db2.gz RFRCJMSOSXGFKD-IBGZPJMESA-N 1 3 342.487 1.488 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253118 451383312 /nfs/dbraw/zinc/38/33/12/451383312.db2.gz YUQHMTMSRGWVGI-HZPDHXFCSA-N 1 3 333.480 1.297 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)N1CCOCC1 ZINC000638180752 451341492 /nfs/dbraw/zinc/34/14/92/451341492.db2.gz KMZYLWOQPMCCBT-BRWVUGGUSA-N 1 3 325.497 1.281 20 0 EDADHO [NH3+]C1(CC(=O)NCc2cnc[nH]2)CCN(Cc2ccccc2)CC1 ZINC000638282690 451401911 /nfs/dbraw/zinc/40/19/11/451401911.db2.gz UIGPOEIFXJZKJO-UHFFFAOYSA-N 1 3 327.432 1.410 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000638286753 451404060 /nfs/dbraw/zinc/40/40/60/451404060.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 1 3 344.503 1.388 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000638286753 451404064 /nfs/dbraw/zinc/40/40/64/451404064.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 1 3 344.503 1.388 20 0 EDADHO COc1cncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000630862324 451445585 /nfs/dbraw/zinc/44/55/85/451445585.db2.gz GYOHFTCVNSPCOW-UHFFFAOYSA-N 1 3 346.475 1.687 20 0 EDADHO CN1CCCC[C@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638343928 451447653 /nfs/dbraw/zinc/44/76/53/451447653.db2.gz OGOICPIFDYAZRD-SFHVURJKSA-N 1 3 344.503 1.580 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000638416274 451500839 /nfs/dbraw/zinc/50/08/39/451500839.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 1 3 330.476 1.187 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000638416274 451500843 /nfs/dbraw/zinc/50/08/43/451500843.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 1 3 330.476 1.187 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638415793 451501629 /nfs/dbraw/zinc/50/16/29/451501629.db2.gz LPHQFKUPGGWMJZ-QUCCMNQESA-N 1 3 345.487 1.517 20 0 EDADHO CO[C@@H](CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586493 451590439 /nfs/dbraw/zinc/59/04/39/451590439.db2.gz UCTYIYKPBUVSRD-OALUTQOASA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@@H](CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586493 451590441 /nfs/dbraw/zinc/59/04/41/451590441.db2.gz UCTYIYKPBUVSRD-OALUTQOASA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@@H](C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586493 451590445 /nfs/dbraw/zinc/59/04/45/451590445.db2.gz UCTYIYKPBUVSRD-OALUTQOASA-N 1 3 345.487 1.899 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922405 451610248 /nfs/dbraw/zinc/61/02/48/451610248.db2.gz RJUYLULLHAHHAH-GUYCJALGSA-N 1 3 346.479 1.754 20 0 EDADHO C[C@H](C(=O)N(C)CCOCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000638674938 451645583 /nfs/dbraw/zinc/64/55/83/451645583.db2.gz NNGHHCLJBQELPB-QGZVFWFLSA-N 1 3 347.503 1.763 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N(C)CCOCC[NH3+])cc2)CC1 ZINC000638676547 451645740 /nfs/dbraw/zinc/64/57/40/451645740.db2.gz YPZGVFLDMLZCFT-UHFFFAOYSA-N 1 3 348.491 1.264 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956023 451668118 /nfs/dbraw/zinc/66/81/18/451668118.db2.gz SQSQRBCUNIJREJ-KGLIPLIRSA-N 1 3 344.381 1.758 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000638729574 451668790 /nfs/dbraw/zinc/66/87/90/451668790.db2.gz RZNWKQLYJPNRDC-SJLPKXTDSA-N 1 3 337.508 1.997 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000632961286 451670439 /nfs/dbraw/zinc/67/04/39/451670439.db2.gz QPWDVQUGHYPLNV-CJNGLKHVSA-N 1 3 334.468 1.789 20 0 EDADHO CO[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)C1CCOCC1 ZINC000639171506 451784403 /nfs/dbraw/zinc/78/44/03/451784403.db2.gz VOAUUUFRJZKVDI-IBGZPJMESA-N 1 3 339.524 1.387 20 0 EDADHO C[NH+](C)C1(CNC(=O)CN2CCCC[C@@H](N)C2=O)CCCCCC1 ZINC000649280350 451953070 /nfs/dbraw/zinc/95/30/70/451953070.db2.gz FGYMXSOFSTXQIP-OAHLLOKOSA-N 1 3 338.496 1.097 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000649288882 451964250 /nfs/dbraw/zinc/96/42/50/451964250.db2.gz SINXHSUMUOGRDF-HNNXBMFYSA-N 1 3 341.402 1.488 20 0 EDADHO COc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649299344 451977107 /nfs/dbraw/zinc/97/71/07/451977107.db2.gz LJMCNDOJIXPVFW-CQSZACIVSA-N 1 3 348.447 1.035 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649311535 451990067 /nfs/dbraw/zinc/99/00/67/451990067.db2.gz YGHBBGUHEURLMT-UHFFFAOYSA-N 1 3 334.464 1.112 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649315732 451994352 /nfs/dbraw/zinc/99/43/52/451994352.db2.gz GJUYQBNCJJMNGS-PIIMJCKOSA-N 1 3 329.444 1.295 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319711 451998117 /nfs/dbraw/zinc/99/81/17/451998117.db2.gz RZUDRGLPVVXGLT-UAGQMJEPSA-N 1 3 333.480 1.022 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637660797 452002624 /nfs/dbraw/zinc/00/26/24/452002624.db2.gz GOFRUFMBHMMDFV-MRXNPFEDSA-N 1 3 334.468 1.708 20 0 EDADHO CC[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649358923 452040105 /nfs/dbraw/zinc/04/01/05/452040105.db2.gz IYEZRUDNCAJUAN-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)C[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090529 452053990 /nfs/dbraw/zinc/05/39/90/452053990.db2.gz LOWWNYUMOXQNSI-QGZVFWFLSA-N 1 3 332.492 1.470 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104686 452154567 /nfs/dbraw/zinc/15/45/67/452154567.db2.gz QSNRVVOKDBIXRS-TVEAVKIZSA-N 1 3 335.492 1.510 20 0 EDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(CCN3CCOCC3)C2)c2ccccc21 ZINC000643455411 452232508 /nfs/dbraw/zinc/23/25/08/452232508.db2.gz DPWSGXWUBGRIHK-IPELMVKDSA-N 1 3 330.476 1.127 20 0 EDADHO [NH3+]C[C@@H]1CN(Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545430 452275279 /nfs/dbraw/zinc/27/52/79/452275279.db2.gz FWOWVMMEHVNZGK-MRXNPFEDSA-N 1 3 327.432 1.455 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000638048528 452318095 /nfs/dbraw/zinc/31/80/95/452318095.db2.gz RLEJWKCJAQNBFA-MJGOQNOKSA-N 1 3 331.460 1.534 20 0 EDADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC[C@H]1C ZINC000665761519 452336481 /nfs/dbraw/zinc/33/64/81/452336481.db2.gz GSHZEQPLELXLFE-PMPSAXMXSA-N 1 3 328.501 1.325 20 0 EDADHO CO[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC[C@H]1C ZINC000665761519 452336494 /nfs/dbraw/zinc/33/64/94/452336494.db2.gz GSHZEQPLELXLFE-PMPSAXMXSA-N 1 3 328.501 1.325 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659478855 452338231 /nfs/dbraw/zinc/33/82/31/452338231.db2.gz VJIGSBPVFPOJRA-UHFFFAOYSA-N 1 3 329.448 1.349 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CCCO)C1 ZINC000665764224 452350109 /nfs/dbraw/zinc/35/01/09/452350109.db2.gz YKUNCDJHRGGBTA-HOTGVXAUSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](CCCO)C1 ZINC000665764224 452350118 /nfs/dbraw/zinc/35/01/18/452350118.db2.gz YKUNCDJHRGGBTA-HOTGVXAUSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067601 452369962 /nfs/dbraw/zinc/36/99/62/452369962.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067601 452369966 /nfs/dbraw/zinc/36/99/66/452369966.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 1 3 346.519 1.682 20 0 EDADHO CN1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434983 452405699 /nfs/dbraw/zinc/40/56/99/452405699.db2.gz WQQYFSDYMDLBFH-QGZVFWFLSA-N 1 3 332.492 1.609 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659566346 452421404 /nfs/dbraw/zinc/42/14/04/452421404.db2.gz JUIFWWFHBVTUIE-YJBOKZPZSA-N 1 3 345.491 1.672 20 0 EDADHO CN(CCN1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659583841 452439184 /nfs/dbraw/zinc/43/91/84/452439184.db2.gz WMAUKUYWRFXGHB-QZTJIDSGSA-N 1 3 330.476 1.869 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654404510 452456873 /nfs/dbraw/zinc/45/68/73/452456873.db2.gz OIEZHFOCSFQBML-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654404510 452456877 /nfs/dbraw/zinc/45/68/77/452456877.db2.gz OIEZHFOCSFQBML-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347409 452522645 /nfs/dbraw/zinc/52/26/45/452522645.db2.gz AHTXTUBZFCVOGZ-QSOKESPWSA-N 1 3 349.519 1.994 20 0 EDADHO Cn1cc(-c2cc(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364037 452543731 /nfs/dbraw/zinc/54/37/31/452543731.db2.gz VWMSCAWNPMFBKR-BMGDILEWSA-N 1 3 345.447 1.936 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814339 452544517 /nfs/dbraw/zinc/54/45/17/452544517.db2.gz JJSSUIVDHPJUNX-UHFFFAOYSA-N 1 3 330.432 1.331 20 0 EDADHO NC(=O)c1ccc(NC(=O)CC[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814339 452544523 /nfs/dbraw/zinc/54/45/23/452544523.db2.gz JJSSUIVDHPJUNX-UHFFFAOYSA-N 1 3 330.432 1.331 20 0 EDADHO NC(=O)c1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647814339 452544528 /nfs/dbraw/zinc/54/45/28/452544528.db2.gz JJSSUIVDHPJUNX-UHFFFAOYSA-N 1 3 330.432 1.331 20 0 EDADHO C[C@H]1CN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCCO1 ZINC000655759973 452561719 /nfs/dbraw/zinc/56/17/19/452561719.db2.gz UVNSJPUZLKTFTE-HKUYNNGSSA-N 1 3 339.524 1.720 20 0 EDADHO C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000657900852 452600284 /nfs/dbraw/zinc/60/02/84/452600284.db2.gz NPVZZSIBGPMORO-HNNXBMFYSA-N 1 3 329.448 1.413 20 0 EDADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900852 452600289 /nfs/dbraw/zinc/60/02/89/452600289.db2.gz NPVZZSIBGPMORO-HNNXBMFYSA-N 1 3 329.448 1.413 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000645634861 452637090 /nfs/dbraw/zinc/63/70/90/452637090.db2.gz FLNVNFUGOTYTJB-IAGOWNOFSA-N 1 3 331.464 1.508 20 0 EDADHO [NH3+]C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000655923962 452689517 /nfs/dbraw/zinc/68/95/17/452689517.db2.gz ZBJGHQIVOHCBIB-ZDUSSCGKSA-N 1 3 345.369 1.487 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702522 /nfs/dbraw/zinc/70/25/22/452702522.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702529 /nfs/dbraw/zinc/70/25/29/452702529.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H](Cn1cccn1)NCC1(C[NH2+][C@@H](C)Cn2cccn2)CCC1 ZINC000647962938 452707837 /nfs/dbraw/zinc/70/78/37/452707837.db2.gz BKCPQOHIDGVKDF-IRXDYDNUSA-N 1 3 330.480 1.906 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658140639 452747622 /nfs/dbraw/zinc/74/76/22/452747622.db2.gz VSMDWCJHKKOALA-IRXDYDNUSA-N 1 3 331.460 1.400 20 0 EDADHO CN(C[C@@H]1CNc2ccnn2C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648035216 452771833 /nfs/dbraw/zinc/77/18/33/452771833.db2.gz WYXWCFKBBIWBCT-DOTOQJQBSA-N 1 3 332.496 1.025 20 0 EDADHO CN(C[C@@H]1CNc2ccnn2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648035216 452771841 /nfs/dbraw/zinc/77/18/41/452771841.db2.gz WYXWCFKBBIWBCT-DOTOQJQBSA-N 1 3 332.496 1.025 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786965 452787274 /nfs/dbraw/zinc/78/72/74/452787274.db2.gz NZANNERZHGNFGD-RTBURBONSA-N 1 3 345.487 1.783 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786965 452787283 /nfs/dbraw/zinc/78/72/83/452787283.db2.gz NZANNERZHGNFGD-RTBURBONSA-N 1 3 345.487 1.783 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652643906 452800726 /nfs/dbraw/zinc/80/07/26/452800726.db2.gz FUDFUYYKHHWGTN-UHFFFAOYSA-N 1 3 332.448 1.193 20 0 EDADHO NCc1ccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000645817345 452814919 /nfs/dbraw/zinc/81/49/19/452814919.db2.gz JTWSLZRCCDCUMY-UHFFFAOYSA-N 1 3 343.431 1.075 20 0 EDADHO NC1(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)Cc2ccccc2C1 ZINC000648177600 452890199 /nfs/dbraw/zinc/89/01/99/452890199.db2.gz IOIOQNJETMBNBS-QZTJIDSGSA-N 1 3 343.471 1.228 20 0 EDADHO O=C([C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1)N1CCOCC1 ZINC000662249378 452975494 /nfs/dbraw/zinc/97/54/94/452975494.db2.gz UOHYKXNCVHCBAL-SFHVURJKSA-N 1 3 343.471 1.403 20 0 EDADHO O=C([C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1)N1CCOCC1 ZINC000662249378 452975502 /nfs/dbraw/zinc/97/55/02/452975502.db2.gz UOHYKXNCVHCBAL-SFHVURJKSA-N 1 3 343.471 1.403 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(N(C)C)n1 ZINC000664315902 452989629 /nfs/dbraw/zinc/98/96/29/452989629.db2.gz WMBXXBMGTTZIBX-AWEZNQCLSA-N 1 3 336.484 1.541 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(N(C)C)n1 ZINC000664315902 452989636 /nfs/dbraw/zinc/98/96/36/452989636.db2.gz WMBXXBMGTTZIBX-AWEZNQCLSA-N 1 3 336.484 1.541 20 0 EDADHO C(CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1)CN1CCOCC1 ZINC000662278952 453005149 /nfs/dbraw/zinc/00/51/49/453005149.db2.gz OKXWDNPHGGSWGE-GOSISDBHSA-N 1 3 337.508 1.332 20 0 EDADHO COCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338964 453055093 /nfs/dbraw/zinc/05/50/93/453055093.db2.gz XSMOSWQBFKWHIY-MRXNPFEDSA-N 1 3 335.496 1.815 20 0 EDADHO COCCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338964 453055098 /nfs/dbraw/zinc/05/50/98/453055098.db2.gz XSMOSWQBFKWHIY-MRXNPFEDSA-N 1 3 335.496 1.815 20 0 EDADHO COCC1(NCC(=O)NC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000662337512 453056539 /nfs/dbraw/zinc/05/65/39/453056539.db2.gz BXTNEZNELMQCPP-UHFFFAOYSA-N 1 3 325.497 1.914 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000664407599 453067740 /nfs/dbraw/zinc/06/77/40/453067740.db2.gz ITSSDCMAMIHDTM-GOEBONIOSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000664407599 453067750 /nfs/dbraw/zinc/06/77/50/453067750.db2.gz ITSSDCMAMIHDTM-GOEBONIOSA-N 1 3 330.542 1.843 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646061877 453075478 /nfs/dbraw/zinc/07/54/78/453075478.db2.gz XOJXFSCIJLBYCZ-UHFFFAOYSA-N 1 3 344.503 1.084 20 0 EDADHO CN(CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662402481 453112705 /nfs/dbraw/zinc/11/27/05/453112705.db2.gz KXZQLEPKLROYTR-OAHLLOKOSA-N 1 3 327.432 1.348 20 0 EDADHO Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000664475502 453127702 /nfs/dbraw/zinc/12/77/02/453127702.db2.gz PHJHLXGFVSMQFV-HIFRSBDPSA-N 1 3 338.500 1.220 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(CC)CCOC3)CC2)CC1 ZINC000655025086 453147136 /nfs/dbraw/zinc/14/71/36/453147136.db2.gz JOAZMFYLTVTCRH-IBGZPJMESA-N 1 3 337.508 1.868 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000664532012 453170718 /nfs/dbraw/zinc/17/07/18/453170718.db2.gz NKPYSWVOOPAQRL-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000664532012 453170729 /nfs/dbraw/zinc/17/07/29/453170729.db2.gz NKPYSWVOOPAQRL-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCNC3)C1 ZINC000666872584 453203587 /nfs/dbraw/zinc/20/35/87/453203587.db2.gz ZEXKFZWYFODMNY-LSDHHAIUSA-N 1 3 344.459 1.260 20 0 EDADHO CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664583779 453219402 /nfs/dbraw/zinc/21/94/02/453219402.db2.gz GCLVADHPVKZORM-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664583779 453219397 /nfs/dbraw/zinc/21/93/97/453219397.db2.gz GCLVADHPVKZORM-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000648783065 453267010 /nfs/dbraw/zinc/26/70/10/453267010.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 1 3 335.496 1.540 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000648783065 453267024 /nfs/dbraw/zinc/26/70/24/453267024.db2.gz OGPXUBSNCWHTIG-INIZCTEOSA-N 1 3 335.496 1.540 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1cc(C2CC[NH2+]CC2)no1 ZINC000662556150 453285432 /nfs/dbraw/zinc/28/54/32/453285432.db2.gz MLCLJSBPACHVEG-UHFFFAOYSA-N 1 3 326.400 1.675 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)N(C)C)cc1 ZINC000653105919 453287742 /nfs/dbraw/zinc/28/77/42/453287742.db2.gz NDVUUTJPDIDEFC-LNLFQRSKSA-N 1 3 331.460 1.204 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594828 453321402 /nfs/dbraw/zinc/32/14/02/453321402.db2.gz SAVDFNXACWCVPT-MDZRGWNJSA-N 1 3 337.508 1.757 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662637497 453353211 /nfs/dbraw/zinc/35/32/11/453353211.db2.gz IXJPLJJUZYMKBM-IEBWSBKVSA-N 1 3 328.460 1.409 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000664759165 453383517 /nfs/dbraw/zinc/38/35/17/453383517.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 1 3 339.528 1.186 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000662698995 453420842 /nfs/dbraw/zinc/42/08/42/453420842.db2.gz NUPCCLIDIIWPDL-UHFFFAOYSA-N 1 3 331.460 1.905 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662791215 453526207 /nfs/dbraw/zinc/52/62/07/453526207.db2.gz OQWYZYZNHQVPQM-MRXNPFEDSA-N 1 3 334.508 1.277 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662791215 453526211 /nfs/dbraw/zinc/52/62/11/453526211.db2.gz OQWYZYZNHQVPQM-MRXNPFEDSA-N 1 3 334.508 1.277 20 0 EDADHO Cc1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)c(OCCN(C)C)c1 ZINC000658997723 453572686 /nfs/dbraw/zinc/57/26/86/453572686.db2.gz DEMAJYVSXXTLLU-UHFFFAOYSA-N 1 3 332.448 1.890 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857468 453573247 /nfs/dbraw/zinc/57/32/47/453573247.db2.gz BJSBADSOSWQRIZ-SQNIBIBYSA-N 1 3 331.460 1.258 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857898 453573695 /nfs/dbraw/zinc/57/36/95/453573695.db2.gz CRNDLRSCVHZTQU-MJGOQNOKSA-N 1 3 331.460 1.402 20 0 EDADHO C[C@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000662859905 453575128 /nfs/dbraw/zinc/57/51/28/453575128.db2.gz UZSFHJISQIRDDE-IBGZPJMESA-N 1 3 330.476 1.800 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270645 453631109 /nfs/dbraw/zinc/63/11/09/453631109.db2.gz LDMFHFSUWPNAGH-IRXDYDNUSA-N 1 3 337.533 1.804 20 0 EDADHO COc1cc2nccc(N3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1OC ZINC000663238415 453742826 /nfs/dbraw/zinc/74/28/26/453742826.db2.gz ATQVWUKFRCMWKH-AWEZNQCLSA-N 1 3 342.443 1.736 20 0 EDADHO CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639106 453778883 /nfs/dbraw/zinc/77/88/83/453778883.db2.gz MMNLTVUHYKVJGF-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CCN(C[C@@H]1CCOC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639106 453778884 /nfs/dbraw/zinc/77/88/84/453778884.db2.gz MMNLTVUHYKVJGF-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680991460 486914635 /nfs/dbraw/zinc/91/46/35/486914635.db2.gz IDMGLIMGERWBBV-DNVCBOLYSA-N 1 3 345.487 1.484 20 0 EDADHO C[C@H](c1ccccc1)[C@H](CO)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680991459 486914837 /nfs/dbraw/zinc/91/48/37/486914837.db2.gz IDMGLIMGERWBBV-BEFAXECRSA-N 1 3 345.487 1.484 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(CO)CCCCC1)c1ccccc1 ZINC000681209930 486973827 /nfs/dbraw/zinc/97/38/27/486973827.db2.gz DSCHGXNXLXMADG-QGZVFWFLSA-N 1 3 333.476 1.690 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccc(F)cn3)CC2)CC1 ZINC000675710984 487437141 /nfs/dbraw/zinc/43/71/41/487437141.db2.gz QXDOBMPGESXJNR-UHFFFAOYSA-N 1 3 349.454 1.579 20 0 EDADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000675771424 487442719 /nfs/dbraw/zinc/44/27/19/487442719.db2.gz QTCWIZZSETUMLK-INIZCTEOSA-N 1 3 347.459 1.385 20 0 EDADHO C[NH+](C)CCCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000683198903 487459550 /nfs/dbraw/zinc/45/95/50/487459550.db2.gz UQSGOHJCCXFQSR-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000669570404 485589530 /nfs/dbraw/zinc/58/95/30/485589530.db2.gz GMPPMFOKTHLZST-ZWKOTPCHSA-N 1 3 346.475 1.268 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000668654337 485999756 /nfs/dbraw/zinc/99/97/56/485999756.db2.gz MCFFUSXISXPFCA-WBAXXEDZSA-N 1 3 348.491 1.609 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388796 486024445 /nfs/dbraw/zinc/02/44/45/486024445.db2.gz QLHBNOZVFVVXAR-IRXDYDNUSA-N 1 3 340.512 1.376 20 0 EDADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000669389590 486025510 /nfs/dbraw/zinc/02/55/10/486025510.db2.gz ZUSWEYDASJTXPB-UONOGXRCSA-N 1 3 326.510 1.337 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669469570 486221050 /nfs/dbraw/zinc/22/10/50/486221050.db2.gz LNAONPHJBSRGNN-AWEZNQCLSA-N 1 3 326.485 1.317 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000669470804 486222863 /nfs/dbraw/zinc/22/28/63/486222863.db2.gz ZRCTWECXIZYDRL-AWEZNQCLSA-N 1 3 326.485 1.447 20 0 EDADHO CCC[NH+]1CCC(N(C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005666 /nfs/dbraw/zinc/00/56/66/491005666.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 1 3 327.513 1.263 20 0 EDADHO CCCN1CCC([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005667 /nfs/dbraw/zinc/00/56/67/491005667.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 1 3 327.513 1.263 20 0 EDADHO CCCN1CCC([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000304721281 491005668 /nfs/dbraw/zinc/00/56/68/491005668.db2.gz OQXVJBJOHWOYFR-SOLBZPMBSA-N 1 3 327.513 1.263 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc2c(c1)NC(=O)CO2 ZINC000668474494 491176510 /nfs/dbraw/zinc/17/65/10/491176510.db2.gz AMQNZTFEZBKVLA-AWEZNQCLSA-N 1 3 334.464 1.379 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490359 491179960 /nfs/dbraw/zinc/17/99/60/491179960.db2.gz QHEFGLFNBLMSMS-ZWKOTPCHSA-N 1 3 341.459 1.281 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000331574467 535752703 /nfs/dbraw/zinc/75/27/03/535752703.db2.gz HWVYJAYAWYTOPP-WMLDXEAASA-N 1 3 331.464 1.639 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)N(CC)CC ZINC000347989922 536090098 /nfs/dbraw/zinc/09/00/98/536090098.db2.gz BFWVHIVBXUWKPH-YESZJQIVSA-N 1 3 325.497 1.819 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388166 /nfs/dbraw/zinc/38/81/66/579388166.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 1 3 339.505 1.681 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388168 /nfs/dbraw/zinc/38/81/68/579388168.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 1 3 339.505 1.681 20 0 EDADHO CC(C)[C@H](C[NH+](C)C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000746258238 578622326 /nfs/dbraw/zinc/62/23/26/578622326.db2.gz FLRMPDHNMUAALI-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011846 579791252 /nfs/dbraw/zinc/79/12/52/579791252.db2.gz PLVCHSFVRWUEED-HOTGVXAUSA-N 1 3 342.553 1.388 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011846 579791253 /nfs/dbraw/zinc/79/12/53/579791253.db2.gz PLVCHSFVRWUEED-HOTGVXAUSA-N 1 3 342.553 1.388 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC(C)(C)[NH2+]C)cc2)CC1 ZINC000775977702 580405655 /nfs/dbraw/zinc/40/56/55/580405655.db2.gz UJUYVUJDVDOUIF-UHFFFAOYSA-N 1 3 333.480 1.948 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726983 /nfs/dbraw/zinc/72/69/83/590726983.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726985 /nfs/dbraw/zinc/72/69/85/590726985.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC000892006604 590740056 /nfs/dbraw/zinc/74/00/56/590740056.db2.gz JTFLPTBFZAHPLI-ZWKOTPCHSA-N 1 3 330.476 1.908 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000892031595 590760807 /nfs/dbraw/zinc/76/08/07/590760807.db2.gz ZHIZACXMTJEDJV-GOSISDBHSA-N 1 3 348.491 1.686 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893302408 590766946 /nfs/dbraw/zinc/76/69/46/590766946.db2.gz FZEJEBZAAUFSIS-GDBMZVCRSA-N 1 3 337.489 1.711 20 0 EDADHO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000892213011 590867514 /nfs/dbraw/zinc/86/75/14/590867514.db2.gz UDGGXLCFJWLPOK-MSOLQXFVSA-N 1 3 332.492 1.895 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892213778 590868165 /nfs/dbraw/zinc/86/81/65/590868165.db2.gz JSNQOTSZCUFQIQ-GOSISDBHSA-N 1 3 332.492 1.978 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892213778 590868167 /nfs/dbraw/zinc/86/81/67/590868167.db2.gz JSNQOTSZCUFQIQ-GOSISDBHSA-N 1 3 332.492 1.978 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H]1OC ZINC000893486587 590904187 /nfs/dbraw/zinc/90/41/87/590904187.db2.gz GANPFIPNQBAWPP-UAFMIMERSA-N 1 3 348.487 1.925 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@H]1OC ZINC000893486587 590904189 /nfs/dbraw/zinc/90/41/89/590904189.db2.gz GANPFIPNQBAWPP-UAFMIMERSA-N 1 3 348.487 1.925 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892331260 590957020 /nfs/dbraw/zinc/95/70/20/590957020.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 1 3 330.476 1.725 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892331260 590957024 /nfs/dbraw/zinc/95/70/24/590957024.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 1 3 330.476 1.725 20 0 EDADHO C[NH+]1CCC(CN[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000893621649 591014397 /nfs/dbraw/zinc/01/43/97/591014397.db2.gz USKGZPVEXCARJO-IBGZPJMESA-N 1 3 345.487 1.388 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000892444948 591030233 /nfs/dbraw/zinc/03/02/33/591030233.db2.gz VIIUGKOKTRDWSK-JCNLHEQBSA-N 1 3 338.496 1.258 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1Cc2ccccc2CN1)[NH+]1CCCCC1 ZINC000891395962 591066846 /nfs/dbraw/zinc/06/68/46/591066846.db2.gz CHHNMQRLMDKNHZ-MAUKXSAKSA-N 1 3 330.476 1.875 20 0 EDADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891514759 591104312 /nfs/dbraw/zinc/10/43/12/591104312.db2.gz YWZJBVSYLCRSKS-VKJFTORMSA-N 1 3 338.496 1.256 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000891648368 591167700 /nfs/dbraw/zinc/16/77/00/591167700.db2.gz URHJSPNNVFHHON-OKZBNKHCSA-N 1 3 330.476 1.873 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C[N@@H+]1C1CC1 ZINC000891658912 591172177 /nfs/dbraw/zinc/17/21/77/591172177.db2.gz AUFBNUIOUCRSPY-XOKHGSTOSA-N 1 3 328.460 1.625 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C[N@H+]1C1CC1 ZINC000891658912 591172178 /nfs/dbraw/zinc/17/21/78/591172178.db2.gz AUFBNUIOUCRSPY-XOKHGSTOSA-N 1 3 328.460 1.625 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892788322 591178829 /nfs/dbraw/zinc/17/88/29/591178829.db2.gz CBGBLWGGAHWDEX-ROUUACIJSA-N 1 3 330.476 1.825 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892788322 591178832 /nfs/dbraw/zinc/17/88/32/591178832.db2.gz CBGBLWGGAHWDEX-ROUUACIJSA-N 1 3 330.476 1.825 20 0 EDADHO C[C@H]1CCN(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835760 591197991 /nfs/dbraw/zinc/19/79/91/591197991.db2.gz DZGUJZGTLJKRAX-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000894164012 591213313 /nfs/dbraw/zinc/21/33/13/591213313.db2.gz NYOKLNFHMQXBJI-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000896131683 591354937 /nfs/dbraw/zinc/35/49/37/591354937.db2.gz BVUKDPMFMVLEGR-GOSISDBHSA-N 1 3 335.492 1.574 20 0 EDADHO CC1(C)CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000898597161 591430028 /nfs/dbraw/zinc/43/00/28/591430028.db2.gz DACSXVSIBGBZEI-UHFFFAOYSA-N 1 3 331.464 1.645 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897545540 591545215 /nfs/dbraw/zinc/54/52/15/591545215.db2.gz PZYUCJPBCPLHRX-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897545540 591545216 /nfs/dbraw/zinc/54/52/16/591545216.db2.gz PZYUCJPBCPLHRX-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897548718 591547558 /nfs/dbraw/zinc/54/75/58/591547558.db2.gz MQSTYIDZCJBVQS-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897548718 591547560 /nfs/dbraw/zinc/54/75/60/591547560.db2.gz MQSTYIDZCJBVQS-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CN(C2CCOCC2)C1 ZINC000899018746 591642893 /nfs/dbraw/zinc/64/28/93/591642893.db2.gz AKNSCVOIWQYRBQ-INIZCTEOSA-N 1 3 335.492 1.335 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CN(C2CCOCC2)C1 ZINC000899018746 591642898 /nfs/dbraw/zinc/64/28/98/591642898.db2.gz AKNSCVOIWQYRBQ-INIZCTEOSA-N 1 3 335.492 1.335 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000895535623 591794819 /nfs/dbraw/zinc/79/48/19/591794819.db2.gz AYYMHRYZQJPWQB-KRWDZBQOSA-N 1 3 340.508 1.787 20 0 EDADHO C[NH+]1CCC(CN2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000897271210 591798490 /nfs/dbraw/zinc/79/84/90/591798490.db2.gz IEMRZHMCQVHKPQ-UHFFFAOYSA-N 1 3 343.537 1.608 20 0 EDADHO CC[NH+]1CCC(NC(=O)CONC(=N)COc2ccccc2)CC1 ZINC000902175742 591932505 /nfs/dbraw/zinc/93/25/05/591932505.db2.gz UXFLBEADGWZXHW-UHFFFAOYSA-N 1 3 334.420 1.164 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180611 592131390 /nfs/dbraw/zinc/13/13/90/592131390.db2.gz GFKYOKBCLLFGTP-INIZCTEOSA-N 1 3 331.460 1.870 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180611 592131392 /nfs/dbraw/zinc/13/13/92/592131392.db2.gz GFKYOKBCLLFGTP-INIZCTEOSA-N 1 3 331.460 1.870 20 0 EDADHO Cc1cccnc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506287 592182410 /nfs/dbraw/zinc/18/24/10/592182410.db2.gz RMQGCKPTLWLJRH-CALCHBBNSA-N 1 3 343.475 1.229 20 0 EDADHO Cc1cccnc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506287 592182412 /nfs/dbraw/zinc/18/24/12/592182412.db2.gz RMQGCKPTLWLJRH-CALCHBBNSA-N 1 3 343.475 1.229 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646377 592232093 /nfs/dbraw/zinc/23/20/93/592232093.db2.gz REBHWUQYLZOACO-GASCZTMLSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646377 592232094 /nfs/dbraw/zinc/23/20/94/592232094.db2.gz REBHWUQYLZOACO-GASCZTMLSA-N 1 3 346.475 1.568 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000904335359 592233788 /nfs/dbraw/zinc/23/37/88/592233788.db2.gz CULTXMGYFWADGE-XBXGTLAGSA-N 1 3 341.452 1.306 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)cn1 ZINC000904360250 592238417 /nfs/dbraw/zinc/23/84/17/592238417.db2.gz JWMRMBJPSBAXQX-HZPDHXFCSA-N 1 3 328.420 1.191 20 0 EDADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906657633 592238889 /nfs/dbraw/zinc/23/88/89/592238889.db2.gz NGFBCLPEJJXKBM-CZUORRHYSA-N 1 3 346.475 1.664 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2ccc(N3CCNCC3)o2)C[C@H]1C(F)(F)F ZINC000904384634 592247483 /nfs/dbraw/zinc/24/74/83/592247483.db2.gz KTPLBAJLULXLNS-WCQYABFASA-N 1 3 332.370 1.258 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669110 592250950 /nfs/dbraw/zinc/25/09/50/592250950.db2.gz QCEICRUEGLIERD-INIZCTEOSA-N 1 3 346.475 1.760 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000901153499 592264088 /nfs/dbraw/zinc/26/40/88/592264088.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000901153499 592264091 /nfs/dbraw/zinc/26/40/91/592264091.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 1 3 325.497 1.317 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157064 592266368 /nfs/dbraw/zinc/26/63/68/592266368.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 1 3 335.492 1.309 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157064 592266369 /nfs/dbraw/zinc/26/63/69/592266369.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 1 3 335.492 1.309 20 0 EDADHO C[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1c1ccccc1 ZINC000904468703 592267702 /nfs/dbraw/zinc/26/77/02/592267702.db2.gz FJEQBCFWSGSPCK-IRXDYDNUSA-N 1 3 330.476 1.394 20 0 EDADHO C[C@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCN1c1ccccc1 ZINC000904468703 592267704 /nfs/dbraw/zinc/26/77/04/592267704.db2.gz FJEQBCFWSGSPCK-IRXDYDNUSA-N 1 3 330.476 1.394 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904484208 592270428 /nfs/dbraw/zinc/27/04/28/592270428.db2.gz FDKACFAYKCNOBW-UHFFFAOYSA-N 1 3 336.484 1.674 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904505007 592273532 /nfs/dbraw/zinc/27/35/32/592273532.db2.gz VRRXOTNHCOFSCN-ROUUACIJSA-N 1 3 344.459 1.395 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000906709153 592281096 /nfs/dbraw/zinc/28/10/96/592281096.db2.gz LFTQUBOAEZRCGI-ROUUACIJSA-N 1 3 336.524 1.347 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000906709153 592281102 /nfs/dbraw/zinc/28/11/02/592281102.db2.gz LFTQUBOAEZRCGI-ROUUACIJSA-N 1 3 336.524 1.347 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725395 592314575 /nfs/dbraw/zinc/31/45/75/592314575.db2.gz VSNLUETYUMOTPL-IJEWVQPXSA-N 1 3 330.432 1.004 20 0 EDADHO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](CN)Cc1cnn(C)c1C ZINC000903899368 592370667 /nfs/dbraw/zinc/37/06/67/592370667.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 1 3 330.480 1.515 20 0 EDADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](CN)Cc1cnn(C)c1C ZINC000903899368 592370670 /nfs/dbraw/zinc/37/06/70/592370670.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 1 3 330.480 1.515 20 0 EDADHO Cc1nccn1C[C@@H]1CCCN1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899368 592370676 /nfs/dbraw/zinc/37/06/76/592370676.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 1 3 330.480 1.515 20 0 EDADHO O=C(c1cccc(O)c1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904485 592373037 /nfs/dbraw/zinc/37/30/37/592373037.db2.gz WETOOVOTECXWBE-ZXFUBFMLSA-N 1 3 329.444 1.681 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922883 592378400 /nfs/dbraw/zinc/37/84/00/592378400.db2.gz GYEMXNNHVZSPKX-MSOLQXFVSA-N 1 3 341.503 1.962 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNC[C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922883 592378405 /nfs/dbraw/zinc/37/84/05/592378405.db2.gz GYEMXNNHVZSPKX-MSOLQXFVSA-N 1 3 341.503 1.962 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@H]1CCN(c2ccccc2)C1 ZINC000903923404 592378581 /nfs/dbraw/zinc/37/85/81/592378581.db2.gz SVSHAVZWTRARKW-DOTOQJQBSA-N 1 3 326.448 1.571 20 0 EDADHO N[C@@H](C[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926836 592380576 /nfs/dbraw/zinc/38/05/76/592380576.db2.gz UTAAWTMATSCJLU-CHWSQXEVSA-N 1 3 327.375 1.238 20 0 EDADHO Cc1nn(C)c(C)c1C[C@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927011 592380682 /nfs/dbraw/zinc/38/06/82/592380682.db2.gz WOOABDGEWXESBT-WFASDCNBSA-N 1 3 331.468 1.274 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)CC2(O)CCCC2)c1 ZINC000905088137 592393158 /nfs/dbraw/zinc/39/31/58/592393158.db2.gz HKOCVHNNWWSFLS-KRWDZBQOSA-N 1 3 336.476 1.773 20 0 EDADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904337181 592475535 /nfs/dbraw/zinc/47/55/35/592475535.db2.gz PZDJZJHOSKWYLA-CALCHBBNSA-N 1 3 330.476 1.597 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496378 592553789 /nfs/dbraw/zinc/55/37/89/592553789.db2.gz SCZFICBYKOLDTC-DZVNLGKHSA-N 1 3 340.508 1.112 20 0 EDADHO Cc1cc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000905560106 592566692 /nfs/dbraw/zinc/56/66/92/592566692.db2.gz INLQOULLIJCOAF-IBGZPJMESA-N 1 3 328.460 1.498 20 0 EDADHO Cc1cc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000905560106 592566696 /nfs/dbraw/zinc/56/66/96/592566696.db2.gz INLQOULLIJCOAF-IBGZPJMESA-N 1 3 328.460 1.498 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000907377252 592617372 /nfs/dbraw/zinc/61/73/72/592617372.db2.gz HTZHOVFSTUZXFR-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO CCn1c([C@@H]2CCCN(C)[C@@H]2C)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908845300 592634869 /nfs/dbraw/zinc/63/48/69/592634869.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 1 3 346.523 1.884 20 0 EDADHO CCn1c([C@@H]2CCCN(C)[C@@H]2C)nnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000908845300 592634871 /nfs/dbraw/zinc/63/48/71/592634871.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 1 3 346.523 1.884 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789530 /nfs/dbraw/zinc/78/95/30/592789530.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789531 /nfs/dbraw/zinc/78/95/31/592789531.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634082 592970801 /nfs/dbraw/zinc/97/08/01/592970801.db2.gz ZGKZTTLDZHECHM-HKUYNNGSSA-N 1 3 333.476 1.690 20 0 EDADHO N[C@@H](CC(=O)NC1CCC([NH3+])CC1)Cc1cc(F)c(F)cc1F ZINC000911727321 592989520 /nfs/dbraw/zinc/98/95/20/592989520.db2.gz JWYLXZXSUOUFFK-MOENNCHZSA-N 1 3 329.366 1.750 20 0 EDADHO CC(C)([NH3+])CNC(=O)C[C@@H](N)Cc1ccc(Br)cc1 ZINC000911845692 593025261 /nfs/dbraw/zinc/02/52/61/593025261.db2.gz KKAXKXDLZOBBRH-LBPRGKRZSA-N 1 3 328.254 1.563 20 0 EDADHO CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1)N(C)C ZINC000912406848 593093707 /nfs/dbraw/zinc/09/37/07/593093707.db2.gz FNXVCUDUHPJLAB-SZMVWBNQSA-N 1 3 349.523 1.992 20 0 EDADHO CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1)N(C)C ZINC000912406848 593093708 /nfs/dbraw/zinc/09/37/08/593093708.db2.gz FNXVCUDUHPJLAB-SZMVWBNQSA-N 1 3 349.523 1.992 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2ccc(F)cn2)ccn1 ZINC000819195371 593743753 /nfs/dbraw/zinc/74/37/53/593743753.db2.gz BKJIHMDPIKBIKF-INIZCTEOSA-N 1 3 334.395 1.379 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000819219677 593744908 /nfs/dbraw/zinc/74/49/08/593744908.db2.gz FOMQTYPJPLSKLG-SUMWQHHRSA-N 1 3 338.473 1.364 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)c1ccco1 ZINC000820074120 593788713 /nfs/dbraw/zinc/78/87/13/593788713.db2.gz GNOZRMMHYFDZGB-WMLDXEAASA-N 1 3 340.468 1.058 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@](C)(O)c1ccco1 ZINC000820074120 593788714 /nfs/dbraw/zinc/78/87/14/593788714.db2.gz GNOZRMMHYFDZGB-WMLDXEAASA-N 1 3 340.468 1.058 20 0 EDADHO [NH3+][C@H](CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000826947111 594607696 /nfs/dbraw/zinc/60/76/96/594607696.db2.gz RWUIHJNPWGVEGV-LJQANCHMSA-N 1 3 344.503 1.438 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000836228153 594940402 /nfs/dbraw/zinc/94/04/02/594940402.db2.gz QOBUEYCPLILIEU-HNNXBMFYSA-N 1 3 333.480 1.900 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283755 594946980 /nfs/dbraw/zinc/94/69/80/594946980.db2.gz NHTKQYXZMHAVEF-SJORKVTESA-N 1 3 336.480 1.166 20 0 EDADHO CCc1ccc2c(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000842474703 595114583 /nfs/dbraw/zinc/11/45/83/595114583.db2.gz CELFTZGRMQRMCI-KRWDZBQOSA-N 1 3 341.455 1.835 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000843489992 595128050 /nfs/dbraw/zinc/12/80/50/595128050.db2.gz VDGJYIAPCFMKHJ-CQSZACIVSA-N 1 3 342.871 1.470 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000844165364 595288307 /nfs/dbraw/zinc/28/83/07/595288307.db2.gz DFKPKSSNSBRPEC-ROUUACIJSA-N 1 3 331.460 1.708 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000844183197 595294796 /nfs/dbraw/zinc/29/47/96/595294796.db2.gz WEMDVLMSDLTQQQ-KRWDZBQOSA-N 1 3 331.460 1.980 20 0 EDADHO CC[NH2+]CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000844190366 595297834 /nfs/dbraw/zinc/29/78/34/595297834.db2.gz KWKBEFFUHZYAAS-KRWDZBQOSA-N 1 3 345.491 1.052 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901474 595410567 /nfs/dbraw/zinc/41/05/67/595410567.db2.gz FSGDSGRDHJAFEJ-KURKYZTESA-N 1 3 341.459 1.986 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc(Cc2ccccc2)no1 ZINC000849065862 595477084 /nfs/dbraw/zinc/47/70/84/595477084.db2.gz DTYYLYXSMKGWMR-HNNXBMFYSA-N 1 3 342.447 1.759 20 0 EDADHO COCCN(C)CCOc1cccc(CNC2=[NH+]CCCN2C)c1 ZINC000849111943 595483878 /nfs/dbraw/zinc/48/38/78/595483878.db2.gz MYBGHDAWIRXALT-UHFFFAOYSA-N 1 3 334.464 1.425 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515948 595556466 /nfs/dbraw/zinc/55/64/66/595556466.db2.gz IAURYHYNERPOTL-FGTMMUONSA-N 1 3 345.491 1.152 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559640 /nfs/dbraw/zinc/55/96/40/595559640.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 1 3 335.496 1.304 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559643 /nfs/dbraw/zinc/55/96/43/595559643.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 1 3 335.496 1.304 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863981 595584709 /nfs/dbraw/zinc/58/47/09/595584709.db2.gz VJVSTNGYNQIJIQ-CQSZACIVSA-N 1 3 348.472 1.586 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592778 /nfs/dbraw/zinc/59/27/78/595592778.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 1 3 333.480 1.008 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592781 /nfs/dbraw/zinc/59/27/81/595592781.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 1 3 333.480 1.008 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594293 /nfs/dbraw/zinc/59/42/93/595594293.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 1 3 349.523 1.550 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594299 /nfs/dbraw/zinc/59/42/99/595594299.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 1 3 349.523 1.550 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)CC1 ZINC000852887239 595599586 /nfs/dbraw/zinc/59/95/86/595599586.db2.gz JBTXODZMBCYRLE-MRXNPFEDSA-N 1 3 345.447 1.259 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000855346322 595680945 /nfs/dbraw/zinc/68/09/45/595680945.db2.gz WUGXXMYGGKUITJ-NSHDSACASA-N 1 3 327.860 1.319 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(N)nc(Cl)c1 ZINC000855346322 595680948 /nfs/dbraw/zinc/68/09/48/595680948.db2.gz WUGXXMYGGKUITJ-NSHDSACASA-N 1 3 327.860 1.319 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c(C)c1 ZINC000853248327 595719067 /nfs/dbraw/zinc/71/90/67/595719067.db2.gz RXGMWAWZWKLFLA-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1cnc(Br)n1)C2 ZINC000852040606 596018829 /nfs/dbraw/zinc/01/88/29/596018829.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 1 3 328.258 1.598 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1cnc(Br)n1)C2 ZINC000852040606 596018830 /nfs/dbraw/zinc/01/88/30/596018830.db2.gz MLYPCJFZUDVBTN-FOSCPWQOSA-N 1 3 328.258 1.598 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000857115726 596161220 /nfs/dbraw/zinc/16/12/20/596161220.db2.gz QRPSZIGHSAGOHZ-LBPRGKRZSA-N 1 3 328.407 1.775 20 0 EDADHO CN(C)C1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC1 ZINC000119411610 596559533 /nfs/dbraw/zinc/55/95/33/596559533.db2.gz RBJHSJMCCNWWGJ-UHFFFAOYSA-N 1 3 346.475 1.079 20 0 EDADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccccc1 ZINC000869778191 596630479 /nfs/dbraw/zinc/63/04/79/596630479.db2.gz AMLSBPHCOHRJEY-DLBZAZTESA-N 1 3 333.476 1.641 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156472 596815819 /nfs/dbraw/zinc/81/58/19/596815819.db2.gz KBRJHJPVZTWPGN-NVXWUHKLSA-N 1 3 345.553 1.935 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872188650 596826583 /nfs/dbraw/zinc/82/65/83/596826583.db2.gz YHPCQADUWFFTQV-HNNXBMFYSA-N 1 3 340.512 1.153 20 0 EDADHO CC(C)(O)C[C@@H](O)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000872202107 596834000 /nfs/dbraw/zinc/83/40/00/596834000.db2.gz UUSBLBWXERQVKV-QGZVFWFLSA-N 1 3 336.476 1.773 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Cl)n1 ZINC000872266535 596861681 /nfs/dbraw/zinc/86/16/81/596861681.db2.gz XPMJOARONWNFFH-RRQGHBQHSA-N 1 3 336.867 1.891 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875693440 596949066 /nfs/dbraw/zinc/94/90/66/596949066.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 1 3 328.501 1.109 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875693440 596949068 /nfs/dbraw/zinc/94/90/68/596949068.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000874432100 597075790 /nfs/dbraw/zinc/07/57/90/597075790.db2.gz GOJGCDDAIPFEMW-JENIJYKNSA-N 1 3 328.460 1.512 20 0 EDADHO CC(C)n1nccc1CNCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873219415 597231017 /nfs/dbraw/zinc/23/10/17/597231017.db2.gz ZYLPEDLEJFLZJS-UHFFFAOYSA-N 1 3 325.420 1.793 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H](C(F)(F)F)O1 ZINC000873228487 597234112 /nfs/dbraw/zinc/23/41/12/597234112.db2.gz FHASRNCRVGBSCS-FRRDWIJNSA-N 1 3 337.386 1.225 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H](C(F)(F)F)O1 ZINC000873228487 597234113 /nfs/dbraw/zinc/23/41/13/597234113.db2.gz FHASRNCRVGBSCS-FRRDWIJNSA-N 1 3 337.386 1.225 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873248300 597239531 /nfs/dbraw/zinc/23/95/31/597239531.db2.gz CTMJOKOIUYYQLC-XPYWIHLFSA-N 1 3 338.473 1.333 20 0 EDADHO CCn1cc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cn1 ZINC000873247931 597239739 /nfs/dbraw/zinc/23/97/39/597239739.db2.gz WGYHONUHPJXCOD-ZDUSSCGKSA-N 1 3 325.420 1.793 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250141 597240339 /nfs/dbraw/zinc/24/03/39/597240339.db2.gz PHWFZVSUCMGJQY-CZUORRHYSA-N 1 3 330.432 1.216 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742286 597317579 /nfs/dbraw/zinc/31/75/79/597317579.db2.gz XARRDXQPSCGFSG-HUUCEWRRSA-N 1 3 333.480 1.605 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742286 597317582 /nfs/dbraw/zinc/31/75/82/597317582.db2.gz XARRDXQPSCGFSG-HUUCEWRRSA-N 1 3 333.480 1.605 20 0 EDADHO Cn1ncc(CN)c1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876756059 597324183 /nfs/dbraw/zinc/32/41/83/597324183.db2.gz YRZWFVGCVPXXRS-UHFFFAOYSA-N 1 3 345.447 1.139 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779458 597338105 /nfs/dbraw/zinc/33/81/05/597338105.db2.gz FUVGJZUTAAHSQF-PKOBYXMFSA-N 1 3 346.475 1.534 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1NCCc2ccccc21 ZINC000876845837 597356858 /nfs/dbraw/zinc/35/68/58/597356858.db2.gz IEHRHINFVWZTQR-FQEVSTJZSA-N 1 3 335.451 1.878 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000876960973 597397107 /nfs/dbraw/zinc/39/71/07/597397107.db2.gz BRFHUKURIHCFKB-IAGOWNOFSA-N 1 3 330.476 1.783 20 0 EDADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000877189274 597456408 /nfs/dbraw/zinc/45/64/08/597456408.db2.gz ONDSLHVCINRNCU-LRYGQEGESA-N 1 3 328.460 1.776 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@@H](N)c1ccccc1 ZINC000877371439 597503891 /nfs/dbraw/zinc/50/38/91/597503891.db2.gz QNMDFXUCZSDGIG-SCUASFONSA-N 1 3 329.366 1.918 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCN(C)CCOCCO)CC2)C1 ZINC000883349428 597721915 /nfs/dbraw/zinc/72/19/15/597721915.db2.gz BBXXXCMLKHBLOD-PKOBYXMFSA-N 1 3 341.540 1.560 20 0 EDADHO COCC[C@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000884330179 598070003 /nfs/dbraw/zinc/07/00/03/598070003.db2.gz GWTUSTBCCFABLQ-DLBZAZTESA-N 1 3 335.448 1.312 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063547 699130349 /nfs/dbraw/zinc/13/03/49/699130349.db2.gz IGFIAVQCXQXRMK-GUYCJALGSA-N 1 3 331.464 1.063 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941566315 701585177 /nfs/dbraw/zinc/58/51/77/701585177.db2.gz BFVYSJRSACJCCT-QGZVFWFLSA-N 1 3 348.535 1.347 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)on1 ZINC000940149639 700282772 /nfs/dbraw/zinc/28/27/72/700282772.db2.gz NBBYXGFTGQCLCA-MRXNPFEDSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000940306914 700489221 /nfs/dbraw/zinc/48/92/21/700489221.db2.gz QAPAIIZVEBBZNA-QGZVFWFLSA-N 1 3 349.523 1.785 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940308000 700489843 /nfs/dbraw/zinc/48/98/43/700489843.db2.gz ZOXCHTUNZBTJJK-QGZVFWFLSA-N 1 3 349.523 1.960 20 0 EDADHO CCn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078642 700671811 /nfs/dbraw/zinc/67/18/11/700671811.db2.gz KLXLTKVLCWZDMC-WBVHZDCISA-N 1 3 347.507 1.619 20 0 EDADHO CC1(C)C[N@H+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000940901063 700975988 /nfs/dbraw/zinc/97/59/88/700975988.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 1 3 347.503 1.476 20 0 EDADHO CC1(C)C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000940901063 700975989 /nfs/dbraw/zinc/97/59/89/700975989.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 1 3 347.503 1.476 20 0 EDADHO CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000940917970 700995351 /nfs/dbraw/zinc/99/53/51/700995351.db2.gz HDTHJMTZJVBSPF-DLBZAZTESA-N 1 3 337.508 1.460 20 0 EDADHO CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000940917970 700995352 /nfs/dbraw/zinc/99/53/52/700995352.db2.gz HDTHJMTZJVBSPF-DLBZAZTESA-N 1 3 337.508 1.460 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000995113019 701023780 /nfs/dbraw/zinc/02/37/80/701023780.db2.gz MWYWRWJSJPSMIC-SJORKVTESA-N 1 3 347.507 1.527 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412290 701527841 /nfs/dbraw/zinc/52/78/41/701527841.db2.gz CFOGHEWQHZSGKR-LZLYRXPVSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412290 701527842 /nfs/dbraw/zinc/52/78/42/701527842.db2.gz CFOGHEWQHZSGKR-LZLYRXPVSA-N 1 3 336.524 1.201 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CCC1 ZINC000995888875 702228499 /nfs/dbraw/zinc/22/84/99/702228499.db2.gz SKSJDESIZYIQPU-MRXNPFEDSA-N 1 3 347.507 1.274 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(C[C@H]3CCCCO3)C2)CC1 ZINC001015929923 702319921 /nfs/dbraw/zinc/31/99/21/702319921.db2.gz FMXWCJUVWCZDNP-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cncs3)C2)CC[N@@H+]1C ZINC000999208492 706661759 /nfs/dbraw/zinc/66/17/59/706661759.db2.gz NOSVEJSPRANBSA-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cncs3)C2)CC[N@H+]1C ZINC000999208492 706661760 /nfs/dbraw/zinc/66/17/60/706661760.db2.gz NOSVEJSPRANBSA-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@H]1CN(Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153625 702441825 /nfs/dbraw/zinc/44/18/25/702441825.db2.gz IKBIMOPDWLFMKB-DOTOQJQBSA-N 1 3 328.460 1.504 20 0 EDADHO CO[C@H](CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1)C1CCC1 ZINC001032665983 706679704 /nfs/dbraw/zinc/67/97/04/706679704.db2.gz PPLFYKJAGKTHGF-GBESFXJTSA-N 1 3 349.519 1.819 20 0 EDADHO Cc1cncc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)c1 ZINC000996520208 702856067 /nfs/dbraw/zinc/85/60/67/702856067.db2.gz OFHJCPHADDSDHL-KRWDZBQOSA-N 1 3 342.487 1.812 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617451 702924379 /nfs/dbraw/zinc/92/43/79/702924379.db2.gz AWFCSCQLYMXXGB-SJORKVTESA-N 1 3 349.500 1.692 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)CCC1 ZINC000996663654 702961728 /nfs/dbraw/zinc/96/17/28/702961728.db2.gz IHTUFPXOOWKSTF-UHFFFAOYSA-N 1 3 345.487 1.744 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996676713 702975464 /nfs/dbraw/zinc/97/54/64/702975464.db2.gz HSJXFYXUKNHWOK-QGZVFWFLSA-N 1 3 333.480 1.324 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996688278 702985616 /nfs/dbraw/zinc/98/56/16/702985616.db2.gz MEPOIMTUZGCJJC-KRWDZBQOSA-N 1 3 336.480 1.958 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690190 702987457 /nfs/dbraw/zinc/98/74/57/702987457.db2.gz PYKZVZKAJQVULO-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996690190 702987459 /nfs/dbraw/zinc/98/74/59/702987459.db2.gz PYKZVZKAJQVULO-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CCOCC2)CC1)N(C)C ZINC000996959549 703229882 /nfs/dbraw/zinc/22/98/82/703229882.db2.gz BMDLPFSKYLNCKR-QGZVFWFLSA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997073580 703313674 /nfs/dbraw/zinc/31/36/74/703313674.db2.gz XZSUGRGIZSKVNM-WBVHZDCISA-N 1 3 325.497 1.458 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090961 703328580 /nfs/dbraw/zinc/32/85/80/703328580.db2.gz CBAGZOMMSUTRNR-ROUUACIJSA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997090961 703328584 /nfs/dbraw/zinc/32/85/84/703328584.db2.gz CBAGZOMMSUTRNR-ROUUACIJSA-N 1 3 345.491 1.518 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181980 703466819 /nfs/dbraw/zinc/46/68/19/703466819.db2.gz FJNQQZIEUTZNGF-GXTWGEPZSA-N 1 3 334.468 1.097 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181980 703466821 /nfs/dbraw/zinc/46/68/21/703466821.db2.gz FJNQQZIEUTZNGF-GXTWGEPZSA-N 1 3 334.468 1.097 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3nccn3C(F)F)CC2)C1 ZINC000997297375 703555944 /nfs/dbraw/zinc/55/59/44/703555944.db2.gz FPWCOFDIIWFYJD-LBPRGKRZSA-N 1 3 341.406 1.311 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3nccn3C(F)F)CC2)C1 ZINC000997297375 703555946 /nfs/dbraw/zinc/55/59/46/703555946.db2.gz FPWCOFDIIWFYJD-LBPRGKRZSA-N 1 3 341.406 1.311 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000997368166 703604921 /nfs/dbraw/zinc/60/49/21/703604921.db2.gz QZOFTTPNNARKDL-UHFFFAOYSA-N 1 3 345.491 1.742 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000997369115 703609403 /nfs/dbraw/zinc/60/94/03/703609403.db2.gz YPQWGEXYAKEFKW-CQSZACIVSA-N 1 3 348.495 1.631 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033099946 704224734 /nfs/dbraw/zinc/22/47/34/704224734.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 1 3 347.507 1.226 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033099946 704224735 /nfs/dbraw/zinc/22/47/35/704224735.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 1 3 347.507 1.226 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029624 704956919 /nfs/dbraw/zinc/95/69/19/704956919.db2.gz UYWXUWDUCISWCU-YJBOKZPZSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029624 704956920 /nfs/dbraw/zinc/95/69/20/704956920.db2.gz UYWXUWDUCISWCU-YJBOKZPZSA-N 1 3 333.476 1.835 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC000998029127 705212517 /nfs/dbraw/zinc/21/25/17/705212517.db2.gz YWIHTZXSZYYYIS-UHFFFAOYSA-N 1 3 334.464 1.653 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998081563 705301956 /nfs/dbraw/zinc/30/19/56/705301956.db2.gz JNNOEWNHKLQACT-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998081563 705301959 /nfs/dbraw/zinc/30/19/59/705301959.db2.gz JNNOEWNHKLQACT-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)C1 ZINC000998082617 705310052 /nfs/dbraw/zinc/31/00/52/705310052.db2.gz RNPANPSLDMNPLP-CQSZACIVSA-N 1 3 336.505 1.813 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC1 ZINC000998174365 705468364 /nfs/dbraw/zinc/46/83/64/705468364.db2.gz AAZDLGNARDBJQK-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998995740 706413425 /nfs/dbraw/zinc/41/34/25/706413425.db2.gz UJUOHPLPFDYUDT-GPANFISMSA-N 1 3 348.495 1.170 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521059 /nfs/dbraw/zinc/52/10/59/706521059.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 1 3 342.487 1.846 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521061 /nfs/dbraw/zinc/52/10/61/706521061.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 1 3 342.487 1.846 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)n[nH]1 ZINC000999356154 706846172 /nfs/dbraw/zinc/84/61/72/706846172.db2.gz YOUSPCRTGGIMIS-HZPDHXFCSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)n[nH]1 ZINC000999356154 706846175 /nfs/dbraw/zinc/84/61/75/706846175.db2.gz YOUSPCRTGGIMIS-HZPDHXFCSA-N 1 3 348.495 1.457 20 0 EDADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H](NCc2cnns2)C1 ZINC000999614002 707131276 /nfs/dbraw/zinc/13/12/76/707131276.db2.gz LIXVZUHNKMXJBY-ZDUSSCGKSA-N 1 3 342.428 1.580 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000999972534 707583895 /nfs/dbraw/zinc/58/38/95/707583895.db2.gz GLGGHTZJHDRGNV-CVEARBPZSA-N 1 3 348.495 1.316 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000999972534 707583898 /nfs/dbraw/zinc/58/38/98/707583898.db2.gz GLGGHTZJHDRGNV-CVEARBPZSA-N 1 3 348.495 1.316 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765300 707771069 /nfs/dbraw/zinc/77/10/69/707771069.db2.gz LSJSNYHZYPGXKV-WNRNVDISSA-N 1 3 339.524 1.778 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765300 707771072 /nfs/dbraw/zinc/77/10/72/707771072.db2.gz LSJSNYHZYPGXKV-WNRNVDISSA-N 1 3 339.524 1.778 20 0 EDADHO C[C@@H](NCc1ccnn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004980677 707823457 /nfs/dbraw/zinc/82/34/57/707823457.db2.gz LBNIFMWJPPGKBF-WBVHZDCISA-N 1 3 345.491 1.375 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128138 708644468 /nfs/dbraw/zinc/64/44/68/708644468.db2.gz VXOAUZSWYRSPGL-HUUCEWRRSA-N 1 3 345.434 1.191 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128138 708644469 /nfs/dbraw/zinc/64/44/69/708644469.db2.gz VXOAUZSWYRSPGL-HUUCEWRRSA-N 1 3 345.434 1.191 20 0 EDADHO C[C@@]12CN(C(=O)C[C@@H]3CNCCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069472 709311800 /nfs/dbraw/zinc/31/18/00/709311800.db2.gz LLTRLYBGERKOCG-NLWGTHIKSA-N 1 3 343.471 1.345 20 0 EDADHO C[C@@]12CN(C(=O)C[C@@H]3CNCCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069472 709311804 /nfs/dbraw/zinc/31/18/04/709311804.db2.gz LLTRLYBGERKOCG-NLWGTHIKSA-N 1 3 343.471 1.345 20 0 EDADHO C[C@@]12CN(C(=O)C[C@H]3CNCCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069471 709311892 /nfs/dbraw/zinc/31/18/92/709311892.db2.gz LLTRLYBGERKOCG-CMKODMSKSA-N 1 3 343.471 1.345 20 0 EDADHO C[C@@]12CN(C(=O)C[C@H]3CNCCO3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069471 709311895 /nfs/dbraw/zinc/31/18/95/709311895.db2.gz LLTRLYBGERKOCG-CMKODMSKSA-N 1 3 343.471 1.345 20 0 EDADHO Cc1noc(CCCN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525687 710176213 /nfs/dbraw/zinc/17/62/13/710176213.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 1 3 349.479 1.233 20 0 EDADHO Cc1noc(CCCN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525687 710176214 /nfs/dbraw/zinc/17/62/14/710176214.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 1 3 349.479 1.233 20 0 EDADHO C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544377 710217963 /nfs/dbraw/zinc/21/79/63/710217963.db2.gz QTFZEJFEKBRLFF-RDJZCZTQSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544377 710217965 /nfs/dbraw/zinc/21/79/65/710217965.db2.gz QTFZEJFEKBRLFF-RDJZCZTQSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732566 710910001 /nfs/dbraw/zinc/91/00/01/710910001.db2.gz FSMYOTMMDFYEJS-ADAWSYLGSA-N 1 3 343.487 1.597 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)on1 ZINC001034735579 710920886 /nfs/dbraw/zinc/92/08/86/710920886.db2.gz IXGXCKWCHUJKOP-BZUAXINKSA-N 1 3 334.464 1.984 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749246 710956629 /nfs/dbraw/zinc/95/66/29/710956629.db2.gz IXWXCPKXPPZOBU-KLHDSHLOSA-N 1 3 338.496 1.140 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034779260 711084523 /nfs/dbraw/zinc/08/45/23/711084523.db2.gz GAHVOGPZJJZUPK-JOCQHMNTSA-N 1 3 344.419 1.361 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034796506 711127673 /nfs/dbraw/zinc/12/76/73/711127673.db2.gz HUYCIBWRZXDXGM-DSPLQEQRSA-N 1 3 347.507 1.810 20 0 EDADHO Cc1oncc1CN1CCC(NC(=O)c2cnccc2N(C)C)CC1 ZINC001003983515 711182610 /nfs/dbraw/zinc/18/26/10/711182610.db2.gz LYCDZYRDSLPCNS-UHFFFAOYSA-N 1 3 343.431 1.838 20 0 EDADHO Cc1oncc1CN1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001003983515 711182612 /nfs/dbraw/zinc/18/26/12/711182612.db2.gz LYCDZYRDSLPCNS-UHFFFAOYSA-N 1 3 343.431 1.838 20 0 EDADHO Cc1cc(CNC[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)sn1 ZINC001034941158 711445682 /nfs/dbraw/zinc/44/56/82/711445682.db2.gz JUMRQHPPBDHJEW-WBVHZDCISA-N 1 3 348.516 1.874 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623356 711922893 /nfs/dbraw/zinc/92/28/93/711922893.db2.gz IWPYRLJTAQEXGW-DZJNRPSUSA-N 1 3 337.508 1.532 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623356 711922894 /nfs/dbraw/zinc/92/28/94/711922894.db2.gz IWPYRLJTAQEXGW-DZJNRPSUSA-N 1 3 337.508 1.532 20 0 EDADHO C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCCCCC1 ZINC000193669892 295725303 /nfs/dbraw/zinc/72/53/03/295725303.db2.gz NCQZDQRYYRARAD-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000103142971 219261540 /nfs/dbraw/zinc/26/15/40/219261540.db2.gz KUIXKKZHCBVHOX-UHFFFAOYSA-N 1 3 344.459 1.382 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2C(=O)CNC2=O)CC1 ZINC000103142971 219261543 /nfs/dbraw/zinc/26/15/43/219261543.db2.gz KUIXKKZHCBVHOX-UHFFFAOYSA-N 1 3 344.459 1.382 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000561231298 306285000 /nfs/dbraw/zinc/28/50/00/306285000.db2.gz ZWLSTPOSSCKGPQ-HKUYNNGSSA-N 1 3 330.476 1.986 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000561231298 306285001 /nfs/dbraw/zinc/28/50/01/306285001.db2.gz ZWLSTPOSSCKGPQ-HKUYNNGSSA-N 1 3 330.476 1.986 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113299 306318768 /nfs/dbraw/zinc/31/87/68/306318768.db2.gz OVXXJBYLVIIZDT-KRWDZBQOSA-N 1 3 328.460 1.648 20 0 EDADHO COC[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000183423111 235064997 /nfs/dbraw/zinc/06/49/97/235064997.db2.gz HQJCTYSDTIZPMJ-LJQANCHMSA-N 1 3 345.487 1.913 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000074252916 138229955 /nfs/dbraw/zinc/22/99/55/138229955.db2.gz BUBDULJOKFPBOR-IBGZPJMESA-N 1 3 344.503 1.995 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 ZINC000563561001 306339005 /nfs/dbraw/zinc/33/90/05/306339005.db2.gz GOOFLVCOQXCGLG-UHFFFAOYSA-N 1 3 332.448 1.022 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCOC3(CNC3)C2)c1 ZINC000563561001 306339006 /nfs/dbraw/zinc/33/90/06/306339006.db2.gz GOOFLVCOQXCGLG-UHFFFAOYSA-N 1 3 332.448 1.022 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578539 306339552 /nfs/dbraw/zinc/33/95/52/306339552.db2.gz ACHDUQBIGSOTIZ-KBAYOESNSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1n[nH]cc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427200 138288744 /nfs/dbraw/zinc/28/87/44/138288744.db2.gz QNLDFFUNKUDWPA-UHFFFAOYSA-N 1 3 335.496 1.634 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1C ZINC000373395217 291125384 /nfs/dbraw/zinc/12/53/84/291125384.db2.gz PYYGLXADNMVYAZ-CVYDXHPNSA-N 1 3 337.508 1.722 20 0 EDADHO COC1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCC1 ZINC000414478751 304117978 /nfs/dbraw/zinc/11/79/78/304117978.db2.gz GEMMKWBKBYEOSX-UHFFFAOYSA-N 1 3 325.497 1.332 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000414698000 304128806 /nfs/dbraw/zinc/12/88/06/304128806.db2.gz HIHZHJDFIRTDMW-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000414698025 304129234 /nfs/dbraw/zinc/12/92/34/304129234.db2.gz HJFYZVGIIYVWEU-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698482 304129313 /nfs/dbraw/zinc/12/93/13/304129313.db2.gz RAKOEOSBAUXICF-HIFRSBDPSA-N 1 3 336.505 1.958 20 0 EDADHO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698482 304129315 /nfs/dbraw/zinc/12/93/15/304129315.db2.gz RAKOEOSBAUXICF-HIFRSBDPSA-N 1 3 336.505 1.958 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)cc1 ZINC000414743208 304136068 /nfs/dbraw/zinc/13/60/68/304136068.db2.gz UNKJWFCYQUMACT-QGZVFWFLSA-N 1 3 346.475 1.581 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)CC1 ZINC000415067047 304156604 /nfs/dbraw/zinc/15/66/04/304156604.db2.gz JXDIQSKIJGSUGQ-HOCLYGCPSA-N 1 3 339.480 1.298 20 0 EDADHO COC(=O)[C@@](C)(O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000343883988 284223728 /nfs/dbraw/zinc/22/37/28/284223728.db2.gz VLKRDTUCAIHKJD-QAPCUYQASA-N 1 3 326.481 1.887 20 0 EDADHO COC(=O)[C@@](C)(O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000343883988 284223730 /nfs/dbraw/zinc/22/37/30/284223730.db2.gz VLKRDTUCAIHKJD-QAPCUYQASA-N 1 3 326.481 1.887 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000415104135 304160640 /nfs/dbraw/zinc/16/06/40/304160640.db2.gz DPOIRRZDCHETMM-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000415118010 304161286 /nfs/dbraw/zinc/16/12/86/304161286.db2.gz XRCZMBDAYYUCLB-QGZVFWFLSA-N 1 3 344.459 1.431 20 0 EDADHO Cc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236657549 139027779 /nfs/dbraw/zinc/02/77/79/139027779.db2.gz IQLXSBXUJFSSAJ-CQSZACIVSA-N 1 3 348.495 1.361 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)C[C@@H]2CSCCN2)cc1 ZINC000237193845 139043601 /nfs/dbraw/zinc/04/36/01/139043601.db2.gz NSGQLJLSSARKKY-OAHLLOKOSA-N 1 3 337.489 1.338 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237666392 139057449 /nfs/dbraw/zinc/05/74/49/139057449.db2.gz IUWMAICFVLLLRF-SOLBZPMBSA-N 1 3 333.476 1.735 20 0 EDADHO NC1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237915175 139063720 /nfs/dbraw/zinc/06/37/20/139063720.db2.gz ANFDJQIYKIDJMN-UHFFFAOYSA-N 1 3 331.460 1.665 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000111823781 220199197 /nfs/dbraw/zinc/19/91/97/220199197.db2.gz OSLGWBNMLWNORZ-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852236 220209641 /nfs/dbraw/zinc/20/96/41/220209641.db2.gz OPPXMWHHHWZFLZ-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COC(=O)[C@@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245402712 139072222 /nfs/dbraw/zinc/07/22/22/139072222.db2.gz JBYUFFSBZMMVJS-OBMMGQTPSA-N 1 3 338.448 1.313 20 0 EDADHO COC(=O)[C@@H]1CCCN(C/C=C/C[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245402712 139072223 /nfs/dbraw/zinc/07/22/23/139072223.db2.gz JBYUFFSBZMMVJS-OBMMGQTPSA-N 1 3 338.448 1.313 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000246284703 139102616 /nfs/dbraw/zinc/10/26/16/139102616.db2.gz MTZPRSFEHDPUMQ-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(NC(=O)NCC[NH3+])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000415313905 304192285 /nfs/dbraw/zinc/19/22/85/304192285.db2.gz IHMAQRJMBNYHOT-INIZCTEOSA-N 1 3 342.447 1.719 20 0 EDADHO CC[NH+](CC)CC1CCN(C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338264085 284582869 /nfs/dbraw/zinc/58/28/69/284582869.db2.gz VMYSZAJQKNXQSY-MRXNPFEDSA-N 1 3 331.526 1.322 20 0 EDADHO C[C@@H](C(=O)NC(N)=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820964 218171772 /nfs/dbraw/zinc/17/17/72/218171772.db2.gz BLXCTSZXUONZLS-ZDUSSCGKSA-N 1 3 333.436 1.203 20 0 EDADHO C[C@H]([NH3+])CCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248881320 139178907 /nfs/dbraw/zinc/17/89/07/139178907.db2.gz SIEYXJBPICCVLM-ARFHVFGLSA-N 1 3 325.497 1.852 20 0 EDADHO CCN1CCN([C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000093132945 218196424 /nfs/dbraw/zinc/19/64/24/218196424.db2.gz HOLBBGWOOJJPKL-KRWDZBQOSA-N 1 3 333.476 1.916 20 0 EDADHO CCN1CCN([C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000093132945 218196425 /nfs/dbraw/zinc/19/64/25/218196425.db2.gz HOLBBGWOOJJPKL-KRWDZBQOSA-N 1 3 333.476 1.916 20 0 EDADHO NS(=O)(=O)c1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261737786 139222000 /nfs/dbraw/zinc/22/20/00/139222000.db2.gz NRBQLLVTGUHWFU-GVDBMIGSSA-N 1 3 337.489 1.387 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765938 139224247 /nfs/dbraw/zinc/22/42/47/139224247.db2.gz WIAXYSRVKOQSGB-SJLPKXTDSA-N 1 3 331.460 1.646 20 0 EDADHO CN1c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091003 139250228 /nfs/dbraw/zinc/25/02/28/139250228.db2.gz GZYDPMMOZOFIFH-KRWDZBQOSA-N 1 3 328.460 1.075 20 0 EDADHO O=C(N1CCCN(C2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262253661 139263882 /nfs/dbraw/zinc/26/38/82/139263882.db2.gz LRNBNUUJVDYTOS-UHFFFAOYSA-N 1 3 345.491 1.439 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415573192 304228896 /nfs/dbraw/zinc/22/88/96/304228896.db2.gz PRSGTDDQVIAZEH-UHFFFAOYSA-N 1 3 346.475 1.235 20 0 EDADHO COCC1(C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262315423 139269455 /nfs/dbraw/zinc/26/94/55/139269455.db2.gz BHBKJLMMFUTJNE-UHFFFAOYSA-N 1 3 345.487 1.567 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417016814 251133900 /nfs/dbraw/zinc/13/39/00/251133900.db2.gz ITDCDIOHZFBVBH-QGZVFWFLSA-N 1 3 347.507 1.183 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417019388 251134343 /nfs/dbraw/zinc/13/43/43/251134343.db2.gz ISGKSCKATXQRGU-WMZOPIPTSA-N 1 3 330.476 1.861 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222836 251148184 /nfs/dbraw/zinc/14/81/84/251148184.db2.gz QUMIUPZMUWKFMB-RANZSIQMSA-N 1 3 328.460 1.825 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417318037 251158382 /nfs/dbraw/zinc/15/83/82/251158382.db2.gz XXBCHMRRLWQWMF-OWCLPIDISA-N 1 3 326.485 1.255 20 0 EDADHO CCCN(C(=O)NC1CCN(CCCOC)CC1)[C@H]1CC[NH2+]C1 ZINC000417435504 251172402 /nfs/dbraw/zinc/17/24/02/251172402.db2.gz BSLPRQWCKMQSSM-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[NH2+]CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417687433 251229936 /nfs/dbraw/zinc/22/99/36/251229936.db2.gz HZXYRLSQWMMPDK-MRXNPFEDSA-N 1 3 348.491 1.747 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417674584 251225119 /nfs/dbraw/zinc/22/51/19/251225119.db2.gz ZVSUKLXEFGPTQI-QRVBRYPASA-N 1 3 342.487 1.902 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719163 251241581 /nfs/dbraw/zinc/24/15/81/251241581.db2.gz WLPLUCZMXNLZQD-MSOLQXFVSA-N 1 3 348.491 1.830 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752391 251255945 /nfs/dbraw/zinc/25/59/45/251255945.db2.gz MMQCWJUIPGAFFS-IXDOHACOSA-N 1 3 339.528 1.029 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417847062 251295660 /nfs/dbraw/zinc/29/56/60/251295660.db2.gz YYQCTVYNXGIZGT-ZBFHGGJFSA-N 1 3 342.447 1.022 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417874259 251309312 /nfs/dbraw/zinc/30/93/12/251309312.db2.gz MVHJJJPNHCTFQB-RDJZCZTQSA-N 1 3 334.464 1.185 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992967 251318927 /nfs/dbraw/zinc/31/89/27/251318927.db2.gz NGBSPFKXCGIZEO-ROUUACIJSA-N 1 3 348.491 1.426 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000418113391 251326401 /nfs/dbraw/zinc/32/64/01/251326401.db2.gz JHZOXOBMPSDHJL-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418425724 251366778 /nfs/dbraw/zinc/36/67/78/251366778.db2.gz KGYMQXDLCDIDNH-HNNXBMFYSA-N 1 3 327.517 1.075 20 0 EDADHO C[NH2+]CCCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159348 251349096 /nfs/dbraw/zinc/34/90/96/251349096.db2.gz DFWLBLOCTZOJPP-UHFFFAOYSA-N 1 3 334.464 1.568 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418198247 251354525 /nfs/dbraw/zinc/35/45/25/251354525.db2.gz VALBUWKVXNIDFU-NXWXRZEISA-N 1 3 342.487 1.900 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)F ZINC000418713193 251393284 /nfs/dbraw/zinc/39/32/84/251393284.db2.gz ONGNRCABXBNMDI-OAHLLOKOSA-N 1 3 340.418 1.886 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418581933 251379243 /nfs/dbraw/zinc/37/92/43/251379243.db2.gz MMCKSJYUYWJYIC-KBPBESRZSA-N 1 3 333.436 1.192 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418584053 251379668 /nfs/dbraw/zinc/37/96/68/251379668.db2.gz XEPBAGYCOBLTLY-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653208 139293324 /nfs/dbraw/zinc/29/33/24/139293324.db2.gz SNNFXLOEGQXOBH-BZUAXINKSA-N 1 3 344.459 1.450 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000262709261 139298067 /nfs/dbraw/zinc/29/80/67/139298067.db2.gz OUDBIXRNWXSTGT-IBGZPJMESA-N 1 3 333.476 1.777 20 0 EDADHO Cc1csc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343369 251686655 /nfs/dbraw/zinc/68/66/55/251686655.db2.gz QVMMYGWBFAFWHS-KBPBESRZSA-N 1 3 332.473 1.886 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262778068 139302857 /nfs/dbraw/zinc/30/28/57/139302857.db2.gz LCJWNNJWLUDTSO-CYBMUJFWSA-N 1 3 347.463 1.968 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000262851684 139307963 /nfs/dbraw/zinc/30/79/63/139307963.db2.gz KDTSKOPULSXEIS-QGZVFWFLSA-N 1 3 335.448 1.193 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422843838 251997779 /nfs/dbraw/zinc/99/77/79/251997779.db2.gz JTOIPHJQOQCOFG-RCCFBDPRSA-N 1 3 336.524 1.487 20 0 EDADHO CC[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)[C@@H]1CCCCN1 ZINC000422904837 252018598 /nfs/dbraw/zinc/01/85/98/252018598.db2.gz YBNQUFOXZIGVOK-BPUTZDHNSA-N 1 3 336.432 1.665 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909652 252020010 /nfs/dbraw/zinc/02/00/10/252020010.db2.gz GMVSTYOWBYTOEU-PKOBYXMFSA-N 1 3 344.503 1.703 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000424033279 252122142 /nfs/dbraw/zinc/12/21/42/252122142.db2.gz XWDILZAGRLAQAX-UIBIWLFHSA-N 1 3 331.435 1.715 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150937 252145017 /nfs/dbraw/zinc/14/50/17/252145017.db2.gz ZYWCJFBGALZXDN-CABCVRRESA-N 1 3 334.468 1.197 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424169148 252151159 /nfs/dbraw/zinc/15/11/59/252151159.db2.gz JIGVXKHHRQNAIW-MRXNPFEDSA-N 1 3 342.447 1.825 20 0 EDADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424173093 252153359 /nfs/dbraw/zinc/15/33/59/252153359.db2.gz LYNWZFIRMAMQFT-KGLIPLIRSA-N 1 3 329.366 1.943 20 0 EDADHO COC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167546930 532973797 /nfs/dbraw/zinc/97/37/97/532973797.db2.gz PDNMQRACNNEKBL-SJLPKXTDSA-N 1 3 345.487 1.924 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415649533 304247329 /nfs/dbraw/zinc/24/73/29/304247329.db2.gz AKPBPWQNYYOFMT-WMLDXEAASA-N 1 3 346.475 1.724 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000374461265 285075225 /nfs/dbraw/zinc/07/52/25/285075225.db2.gz VJCXXNXQBIBVNL-QFBILLFUSA-N 1 3 349.475 1.430 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000374461265 285075226 /nfs/dbraw/zinc/07/52/26/285075226.db2.gz VJCXXNXQBIBVNL-QFBILLFUSA-N 1 3 349.475 1.430 20 0 EDADHO C[NH+]1CCC(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000487525619 255031946 /nfs/dbraw/zinc/03/19/46/255031946.db2.gz LWUPJDUEWPGUIL-UHFFFAOYSA-N 1 3 345.487 1.601 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC2CC(OCc3ccccc3)C2)C1 ZINC000493979447 255229563 /nfs/dbraw/zinc/22/95/63/255229563.db2.gz ZXFXRVQUXSRQDQ-LMDPOFIKSA-N 1 3 345.487 1.911 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC2CC(OCc3ccccc3)C2)C1 ZINC000493979447 255229564 /nfs/dbraw/zinc/22/95/64/255229564.db2.gz ZXFXRVQUXSRQDQ-LMDPOFIKSA-N 1 3 345.487 1.911 20 0 EDADHO COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115810771 220906302 /nfs/dbraw/zinc/90/63/02/220906302.db2.gz XBDTYUFQHYMIES-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000115810771 220906306 /nfs/dbraw/zinc/90/63/06/220906306.db2.gz XBDTYUFQHYMIES-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccnc1 ZINC000263955316 139372032 /nfs/dbraw/zinc/37/20/32/139372032.db2.gz MLRAPPQXGLIULR-MRXNPFEDSA-N 1 3 334.464 1.335 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cccnc1 ZINC000263955316 139372033 /nfs/dbraw/zinc/37/20/33/139372033.db2.gz MLRAPPQXGLIULR-MRXNPFEDSA-N 1 3 334.464 1.335 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000262661494 285323810 /nfs/dbraw/zinc/32/38/10/285323810.db2.gz YJNILWTVCGPFLW-GOSISDBHSA-N 1 3 346.519 1.814 20 0 EDADHO CC[N@H+](C)CCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000264335373 139398176 /nfs/dbraw/zinc/39/81/76/139398176.db2.gz YFCWCIDTQPNXOT-UHFFFAOYSA-N 1 3 336.480 1.420 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000264335373 139398177 /nfs/dbraw/zinc/39/81/77/139398177.db2.gz YFCWCIDTQPNXOT-UHFFFAOYSA-N 1 3 336.480 1.420 20 0 EDADHO CCN(C)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264335373 139398178 /nfs/dbraw/zinc/39/81/78/139398178.db2.gz YFCWCIDTQPNXOT-UHFFFAOYSA-N 1 3 336.480 1.420 20 0 EDADHO C[NH+](C)C/C=C/C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000270942710 140204369 /nfs/dbraw/zinc/20/43/69/140204369.db2.gz WPTQZDAIVKRCBU-TYKASLFTSA-N 1 3 331.460 1.103 20 0 EDADHO FC(F)(F)[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641887 141349284 /nfs/dbraw/zinc/34/92/84/141349284.db2.gz XKFQHDLGNSVDJV-QWRGUYRKSA-N 1 3 333.358 1.471 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000339382531 142032496 /nfs/dbraw/zinc/03/24/96/142032496.db2.gz WEAABXPKOJACOK-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC(C)CC1 ZINC000340212147 142304737 /nfs/dbraw/zinc/30/47/37/142304737.db2.gz MTMHUFVUXYCUFX-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)N(C)C1 ZINC000345966761 143152192 /nfs/dbraw/zinc/15/21/92/143152192.db2.gz BWEDFSHXOXDSAN-IAGOWNOFSA-N 1 3 340.512 1.469 20 0 EDADHO CCN1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344298 143194293 /nfs/dbraw/zinc/19/42/93/143194293.db2.gz DASOVIVZNLCQRM-HOTGVXAUSA-N 1 3 339.528 1.137 20 0 EDADHO CCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347045374 143275881 /nfs/dbraw/zinc/27/58/81/143275881.db2.gz NPNPMTFXPJEPMB-OAHLLOKOSA-N 1 3 335.448 1.381 20 0 EDADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000347258317 143301071 /nfs/dbraw/zinc/30/10/71/143301071.db2.gz CCWKZSWTHJGGCM-RYQLBKOJSA-N 1 3 333.476 1.290 20 0 EDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348080315 143398553 /nfs/dbraw/zinc/39/85/53/143398553.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 1 3 337.487 1.749 20 0 EDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000348080315 143398554 /nfs/dbraw/zinc/39/85/54/143398554.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 1 3 337.487 1.749 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000356084035 286060231 /nfs/dbraw/zinc/06/02/31/286060231.db2.gz DFGDNNHKRZZGST-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N(C)CCN(C)C)[C@H](C)C1 ZINC000356084035 286060232 /nfs/dbraw/zinc/06/02/32/286060232.db2.gz DFGDNNHKRZZGST-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N2CCCC2)c1 ZINC000416857688 304352474 /nfs/dbraw/zinc/35/24/74/304352474.db2.gz SEIVUFJZDBNOEM-INIZCTEOSA-N 1 3 334.464 1.869 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000353424836 149399701 /nfs/dbraw/zinc/39/97/01/149399701.db2.gz GGXFSWZBSLRDRY-QBPKDAKJSA-N 1 3 325.497 1.626 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000416969878 304357204 /nfs/dbraw/zinc/35/72/04/304357204.db2.gz LRRGXATXLLWWKV-MRXNPFEDSA-N 1 3 334.464 1.426 20 0 EDADHO C[C@@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000416969943 304357545 /nfs/dbraw/zinc/35/75/45/304357545.db2.gz MEMOYTGWDVIDLN-WBVHZDCISA-N 1 3 348.491 1.814 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416985705 304361902 /nfs/dbraw/zinc/36/19/02/304361902.db2.gz YYPWBNABWIBVRP-HDICACEKSA-N 1 3 342.487 1.554 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000417068631 304368997 /nfs/dbraw/zinc/36/89/97/304368997.db2.gz NQFMMXQAXXBZAQ-AWEZNQCLSA-N 1 3 326.391 1.545 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000358092151 151267128 /nfs/dbraw/zinc/26/71/28/151267128.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000358092151 151267130 /nfs/dbraw/zinc/26/71/30/151267130.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000358476725 151389774 /nfs/dbraw/zinc/38/97/74/151389774.db2.gz YEOICHIEYOTCAH-KRWDZBQOSA-N 1 3 348.491 1.872 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCCN(C)C)c1 ZINC000358476725 151389777 /nfs/dbraw/zinc/38/97/77/151389777.db2.gz YEOICHIEYOTCAH-KRWDZBQOSA-N 1 3 348.491 1.872 20 0 EDADHO COC1(C[NH2+]CCCCN2CCN(CCO)CC2)CCCCC1 ZINC000359715192 151798140 /nfs/dbraw/zinc/79/81/40/151798140.db2.gz KQDSOHMUZFSLDR-UHFFFAOYSA-N 1 3 327.513 1.315 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000360384344 152015030 /nfs/dbraw/zinc/01/50/30/152015030.db2.gz LWLPKROZTVRQDI-INIZCTEOSA-N 1 3 328.526 1.599 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360670907 152146370 /nfs/dbraw/zinc/14/63/70/152146370.db2.gz ZXZHAHBXXMFEDZ-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360670907 152146371 /nfs/dbraw/zinc/14/63/71/152146371.db2.gz ZXZHAHBXXMFEDZ-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CCSC1 ZINC000360747419 152183026 /nfs/dbraw/zinc/18/30/26/152183026.db2.gz SDTFWCCAYGGKOW-KRWDZBQOSA-N 1 3 342.553 1.797 20 0 EDADHO O=C(CC[NH2+]C1CC1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000574053400 306642070 /nfs/dbraw/zinc/64/20/70/306642070.db2.gz OJPKHBRFGXLZKE-UHFFFAOYSA-N 1 3 344.459 1.593 20 0 EDADHO CC[NH+](CC)CCOC1CCN(CCN2CCCOCC2)CC1 ZINC000361309132 152358559 /nfs/dbraw/zinc/35/85/59/152358559.db2.gz NNWCKHXCRHCMQF-UHFFFAOYSA-N 1 3 327.513 1.532 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417175594 304380340 /nfs/dbraw/zinc/38/03/40/304380340.db2.gz BFOVMLBBCORJCY-MSOLQXFVSA-N 1 3 332.492 1.991 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCCN(CCCOC)CC1)C1CC1 ZINC000363558891 153000676 /nfs/dbraw/zinc/00/06/76/153000676.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCCN(CCCOC)CC1)C1CC1 ZINC000363558891 153000677 /nfs/dbraw/zinc/00/06/77/153000677.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417192794 304382934 /nfs/dbraw/zinc/38/29/34/304382934.db2.gz KWAJUUAVKRNGKD-ROUUACIJSA-N 1 3 332.492 1.848 20 0 EDADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000367527003 154160750 /nfs/dbraw/zinc/16/07/50/154160750.db2.gz LPLKLWRGYDUDHO-OAHLLOKOSA-N 1 3 343.537 1.796 20 0 EDADHO CN(c1ccccc1CN1C[C@H]2[C@H](CO)[C@H]2C1)C1CC[NH+](C)CC1 ZINC000367780069 154267019 /nfs/dbraw/zinc/26/70/19/154267019.db2.gz PDGQZZSVSJLHCA-BWTSREIZSA-N 1 3 329.488 1.887 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984090 154355741 /nfs/dbraw/zinc/35/57/41/154355741.db2.gz TWTSMGJLIYCDKI-OIISXLGYSA-N 1 3 347.459 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984090 154355745 /nfs/dbraw/zinc/35/57/45/154355745.db2.gz TWTSMGJLIYCDKI-OIISXLGYSA-N 1 3 347.459 1.294 20 0 EDADHO [NH3+]C[C@H](NC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000417382950 304395710 /nfs/dbraw/zinc/39/57/10/304395710.db2.gz ONKUOJQUYZURDY-INIZCTEOSA-N 1 3 336.505 1.997 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574919262 306660208 /nfs/dbraw/zinc/66/02/08/306660208.db2.gz STVUCEDBLCWYJR-GOOCMWNKSA-N 1 3 345.443 1.510 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372305394 156322652 /nfs/dbraw/zinc/32/26/52/156322652.db2.gz PWGPSPBLDOJQKZ-QGZVFWFLSA-N 1 3 340.512 1.328 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000372420698 156380752 /nfs/dbraw/zinc/38/07/52/156380752.db2.gz NCRZACSKUUKGLF-JFIYKMOQSA-N 1 3 337.508 1.819 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000417529242 304403618 /nfs/dbraw/zinc/40/36/18/304403618.db2.gz QMPZNNUAJFKOBM-IBGZPJMESA-N 1 3 348.491 1.550 20 0 EDADHO COCCCNC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299360 157232577 /nfs/dbraw/zinc/23/25/77/157232577.db2.gz YBMZYPXBAOXDKB-JKSUJKDBSA-N 1 3 337.508 1.724 20 0 EDADHO COCCCNC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299360 157232581 /nfs/dbraw/zinc/23/25/81/157232581.db2.gz YBMZYPXBAOXDKB-JKSUJKDBSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CN2CCN1CCC2 ZINC000352148411 162012826 /nfs/dbraw/zinc/01/28/26/162012826.db2.gz LIDLKSBFMICCQT-OALUTQOASA-N 1 3 342.487 1.015 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CN2CCN1CCC2 ZINC000352148411 162012830 /nfs/dbraw/zinc/01/28/30/162012830.db2.gz LIDLKSBFMICCQT-OALUTQOASA-N 1 3 342.487 1.015 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352365283 162142701 /nfs/dbraw/zinc/14/27/01/162142701.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 1 3 332.492 1.290 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352365283 162142703 /nfs/dbraw/zinc/14/27/03/162142703.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 1 3 332.492 1.290 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352435741 162180085 /nfs/dbraw/zinc/18/00/85/162180085.db2.gz SUEUOPWTANWLGH-AWEZNQCLSA-N 1 3 329.439 1.511 20 0 EDADHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865544 298645812 /nfs/dbraw/zinc/64/58/12/298645812.db2.gz YLRFNCQGBKAJEV-SUMDDJOVSA-N 1 3 331.460 1.553 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878616 287085931 /nfs/dbraw/zinc/08/59/31/287085931.db2.gz GZNCJJXAGWBPCH-GFCCVEGCSA-N 1 3 348.413 1.964 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074493809 287271195 /nfs/dbraw/zinc/27/11/95/287271195.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074493809 287271196 /nfs/dbraw/zinc/27/11/96/287271196.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000121402256 287370789 /nfs/dbraw/zinc/37/07/89/287370789.db2.gz RRCWHKQARURWGY-UHFFFAOYSA-N 1 3 349.479 1.346 20 0 EDADHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000130606145 287495934 /nfs/dbraw/zinc/49/59/34/287495934.db2.gz KKHRCPNNIRVCHB-UHFFFAOYSA-N 1 3 334.464 1.194 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000130762118 287499159 /nfs/dbraw/zinc/49/91/59/287499159.db2.gz VDYKEIBJUJKHDS-HNNXBMFYSA-N 1 3 344.459 1.450 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000418484493 304501830 /nfs/dbraw/zinc/50/18/30/304501830.db2.gz ZZDFTVYKTIBPHP-PVAVHDDUSA-N 1 3 334.464 1.725 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CCN(C)CC1 ZINC000274381063 268132249 /nfs/dbraw/zinc/13/22/49/268132249.db2.gz AVWWUSXSAVXSML-AWEZNQCLSA-N 1 3 327.428 1.913 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N(C)C1CC1 ZINC000275445676 268343941 /nfs/dbraw/zinc/34/39/41/268343941.db2.gz KXFQLNOSVCXHAN-AWEZNQCLSA-N 1 3 346.475 1.328 20 0 EDADHO CN(C)CCn1ncc(C(=O)NCCC[NH+](C)C)c1-c1ccccc1 ZINC000277518868 273203650 /nfs/dbraw/zinc/20/36/50/273203650.db2.gz QPARCVIVNQWWCQ-UHFFFAOYSA-N 1 3 343.475 1.793 20 0 EDADHO C[C@H](CO)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000280630184 273379768 /nfs/dbraw/zinc/37/97/68/273379768.db2.gz XILYUPADAXBJNA-VQIMIIECSA-N 1 3 347.503 1.888 20 0 EDADHO C[C@H](CO)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000280630184 273379769 /nfs/dbraw/zinc/37/97/69/273379769.db2.gz XILYUPADAXBJNA-VQIMIIECSA-N 1 3 347.503 1.888 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284287813 274147435 /nfs/dbraw/zinc/14/74/35/274147435.db2.gz XSFVPLSZFOFRJT-UHFFFAOYSA-N 1 3 348.491 1.213 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873859 276196660 /nfs/dbraw/zinc/19/66/60/276196660.db2.gz MWLMYWFSKALARB-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CO)[C@H]2CCOC2)CC1 ZINC000360771077 276203635 /nfs/dbraw/zinc/20/36/35/276203635.db2.gz HEIRHUXPMHJOCE-RBUKOAKNSA-N 1 3 347.503 1.563 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000249816937 277105467 /nfs/dbraw/zinc/10/54/67/277105467.db2.gz CMACAZNHMLGOET-RBUKOAKNSA-N 1 3 344.503 1.481 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686944 277140713 /nfs/dbraw/zinc/14/07/13/277140713.db2.gz QDVZYSNAKRMMMI-XMTFNYHQSA-N 1 3 328.460 1.478 20 0 EDADHO COCC1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663872 277197659 /nfs/dbraw/zinc/19/76/59/277197659.db2.gz LDJUZHUYZJXLDW-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000076307177 277759211 /nfs/dbraw/zinc/75/92/11/277759211.db2.gz MLKFURJFEJFODX-DOTOQJQBSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H](C)O1 ZINC000357171666 277888751 /nfs/dbraw/zinc/88/87/51/277888751.db2.gz HBCHCMCVYKVQPV-VXNCWWDNSA-N 1 3 337.508 1.772 20 0 EDADHO CC[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000158089830 279029762 /nfs/dbraw/zinc/02/97/62/279029762.db2.gz YSPUZFANHZFHCH-HNNXBMFYSA-N 1 3 333.480 1.858 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000158089830 279029764 /nfs/dbraw/zinc/02/97/64/279029764.db2.gz YSPUZFANHZFHCH-HNNXBMFYSA-N 1 3 333.480 1.858 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000341994223 279268715 /nfs/dbraw/zinc/26/87/15/279268715.db2.gz LHOXBVBHBBXMPZ-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387441 288119624 /nfs/dbraw/zinc/11/96/24/288119624.db2.gz OHRUASSEGWOEQU-XTPZXTEVSA-N 1 3 346.519 1.922 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)C1 ZINC000361018956 279318590 /nfs/dbraw/zinc/31/85/90/279318590.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)C1 ZINC000361018956 279318593 /nfs/dbraw/zinc/31/85/93/279318593.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370595920 288151315 /nfs/dbraw/zinc/15/13/15/288151315.db2.gz AUWASVYPQLOVEN-CALCHBBNSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C[C@@H](C)O1 ZINC000370296717 288159438 /nfs/dbraw/zinc/15/94/38/288159438.db2.gz DJJQKRPFTSZNKC-BRSBDYLESA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C[C@@H](C)O1 ZINC000370296717 288159439 /nfs/dbraw/zinc/15/94/39/288159439.db2.gz DJJQKRPFTSZNKC-BRSBDYLESA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123502 288163429 /nfs/dbraw/zinc/16/34/29/288163429.db2.gz ZCSWUGHBULKXAW-OAGGEKHMSA-N 1 3 326.485 1.304 20 0 EDADHO CCS(=O)(=O)N(C)CCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862506 280008747 /nfs/dbraw/zinc/00/87/47/280008747.db2.gz PUCPJJRFHGZQRK-ZBFHGGJFSA-N 1 3 327.494 1.206 20 0 EDADHO Cc1ccc2c(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000261749932 281045715 /nfs/dbraw/zinc/04/57/15/281045715.db2.gz URDGTBYGOHKCHQ-MRXNPFEDSA-N 1 3 327.428 1.581 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000290176284 288852729 /nfs/dbraw/zinc/85/27/29/288852729.db2.gz PGFHEHSDDUCMJZ-OALUTQOASA-N 1 3 345.487 1.648 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N(C)C ZINC000290579313 288919685 /nfs/dbraw/zinc/91/96/85/288919685.db2.gz HLQHVQXIQVQTTR-KRWDZBQOSA-N 1 3 336.480 1.615 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CC[C@@H]3CCC[NH2+]3)ccc2oc1=O ZINC000292051870 289249008 /nfs/dbraw/zinc/24/90/08/289249008.db2.gz JHGKHRVRRYZPQJ-ZDUSSCGKSA-N 1 3 346.431 1.627 20 0 EDADHO C[C@H](CN1CCOCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865545 289619543 /nfs/dbraw/zinc/61/95/43/289619543.db2.gz YLRFNCQGBKAJEV-SZVBFZGTSA-N 1 3 331.460 1.553 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332543234 295266472 /nfs/dbraw/zinc/26/64/72/295266472.db2.gz YJQGZASSCOOBCX-SJORKVTESA-N 1 3 338.496 1.258 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861850 304540933 /nfs/dbraw/zinc/54/09/33/304540933.db2.gz NQVDAWBMKMYOGN-IRXDYDNUSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419291746 304587283 /nfs/dbraw/zinc/58/72/83/304587283.db2.gz XCEQLWSYNHGRNX-HNNXBMFYSA-N 1 3 346.475 1.142 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000419670996 304656431 /nfs/dbraw/zinc/65/64/31/304656431.db2.gz XZXMVWJABOBPAN-QGZVFWFLSA-N 1 3 348.491 1.428 20 0 EDADHO C[C@H]1CNCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418112873 300321138 /nfs/dbraw/zinc/32/11/38/300321138.db2.gz ZGXMFHAFPDSCDM-XGNXJENSSA-N 1 3 348.413 1.795 20 0 EDADHO COc1cc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000420319846 304751434 /nfs/dbraw/zinc/75/14/34/304751434.db2.gz PRSLFYUXBUXGAS-MRXNPFEDSA-N 1 3 333.476 1.821 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000666920219 453242945 /nfs/dbraw/zinc/24/29/45/453242945.db2.gz PZKZVGJLSOVYRD-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414753372 447322696 /nfs/dbraw/zinc/32/26/96/447322696.db2.gz MEMHTEHHHUVSIY-OAGGEKHMSA-N 1 3 339.480 1.285 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000294990742 303159932 /nfs/dbraw/zinc/15/99/32/303159932.db2.gz HOEJACRUNCZMOS-HNNXBMFYSA-N 1 3 333.476 1.648 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419658741 447327162 /nfs/dbraw/zinc/32/71/62/447327162.db2.gz YTZSXSUDNGLEAS-HUUCEWRRSA-N 1 3 348.491 1.204 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843645 303274923 /nfs/dbraw/zinc/27/49/23/303274923.db2.gz WARSACJDYGPOQC-AWEZNQCLSA-N 1 3 333.480 1.939 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000296335661 303310500 /nfs/dbraw/zinc/31/05/00/303310500.db2.gz IBLPGNADIVWBAZ-LPHOPBHVSA-N 1 3 344.503 1.622 20 0 EDADHO CO[C@]1(C)C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795912 303915339 /nfs/dbraw/zinc/91/53/39/303915339.db2.gz KBIYJSHXSDPVTH-CRAIPNDOSA-N 1 3 325.497 1.769 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423333969 304892942 /nfs/dbraw/zinc/89/29/42/304892942.db2.gz RZQZHHHBDLNWSU-LSDHHAIUSA-N 1 3 335.496 1.593 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000423692039 304904544 /nfs/dbraw/zinc/90/45/44/304904544.db2.gz BTXDZQYSZJPZHI-AWEZNQCLSA-N 1 3 340.512 1.151 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423732029 304906792 /nfs/dbraw/zinc/90/67/92/304906792.db2.gz SESMYCJRGSJGIO-KBXIAJHMSA-N 1 3 325.453 1.131 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000429106952 305023880 /nfs/dbraw/zinc/02/38/80/305023880.db2.gz NVFWWGPAYRPTIG-GOSISDBHSA-N 1 3 344.503 1.705 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429541882 305031653 /nfs/dbraw/zinc/03/16/53/305031653.db2.gz PPOZUTRLJGEUDS-MSOLQXFVSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429541882 305031654 /nfs/dbraw/zinc/03/16/54/305031654.db2.gz PPOZUTRLJGEUDS-MSOLQXFVSA-N 1 3 336.476 1.989 20 0 EDADHO Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@@](C)(CN)C2CC2)CC1 ZINC000430590043 305057614 /nfs/dbraw/zinc/05/76/14/305057614.db2.gz JTUPVJNCNMQURK-FQEVSTJZSA-N 1 3 344.503 1.356 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCc2c(F)cccc2Cl)C1 ZINC000430610976 305058832 /nfs/dbraw/zinc/05/88/32/305058832.db2.gz MXBVHLDRGBVKDP-LBPRGKRZSA-N 1 3 327.831 1.809 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000430706812 305063140 /nfs/dbraw/zinc/06/31/40/305063140.db2.gz OAVPVZLRTCAGEI-KRWDZBQOSA-N 1 3 331.460 1.920 20 0 EDADHO [NH3+]CC1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCC1 ZINC000430896531 305067153 /nfs/dbraw/zinc/06/71/53/305067153.db2.gz YOGKLTVTHCYSKS-UHFFFAOYSA-N 1 3 345.487 1.779 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430917178 305067913 /nfs/dbraw/zinc/06/79/13/305067913.db2.gz XTZYCIOMPZLUNP-KRWDZBQOSA-N 1 3 346.475 1.492 20 0 EDADHO CC[NH+](CC)CCNC(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000431137141 305075855 /nfs/dbraw/zinc/07/58/55/305075855.db2.gz CPQPUKDOTHNZMU-UHFFFAOYSA-N 1 3 336.484 1.922 20 0 EDADHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106203 /nfs/dbraw/zinc/10/62/03/305106203.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106204 /nfs/dbraw/zinc/10/62/04/305106204.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433412019 305108436 /nfs/dbraw/zinc/10/84/36/305108436.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433412019 305108437 /nfs/dbraw/zinc/10/84/37/305108437.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433454027 305109528 /nfs/dbraw/zinc/10/95/28/305109528.db2.gz MNDXHLHVUJVLFG-QGZVFWFLSA-N 1 3 342.528 1.717 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433454027 305109529 /nfs/dbraw/zinc/10/95/29/305109529.db2.gz MNDXHLHVUJVLFG-QGZVFWFLSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C ZINC000433871481 305114192 /nfs/dbraw/zinc/11/41/92/305114192.db2.gz WVLWWZNDLOBUBG-GDBMZVCRSA-N 1 3 339.505 1.851 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434522043 305124042 /nfs/dbraw/zinc/12/40/42/305124042.db2.gz FHXSBHWHIMQMJN-QZTJIDSGSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000434678965 305127377 /nfs/dbraw/zinc/12/73/77/305127377.db2.gz ANSXFAKWZRVDCV-MRXNPFEDSA-N 1 3 348.491 1.403 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(C)(C)C ZINC000458409970 447351291 /nfs/dbraw/zinc/35/12/91/447351291.db2.gz MSQZULGUQAXDCB-HOTGVXAUSA-N 1 3 342.528 1.499 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000491883176 305580293 /nfs/dbraw/zinc/58/02/93/305580293.db2.gz KOYGIUVUBYGKGD-SREVYHEPSA-N 1 3 325.522 1.972 20 0 EDADHO NC(=O)c1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425904485 447354545 /nfs/dbraw/zinc/35/45/45/447354545.db2.gz YULHJVWULOIYNK-UHFFFAOYSA-N 1 3 328.416 1.573 20 0 EDADHO C[C@H](NC1CC1)C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000519402784 305768216 /nfs/dbraw/zinc/76/82/16/305768216.db2.gz AJNHZCJLXXFRHY-ZFWWWQNUSA-N 1 3 331.464 1.031 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC1 ZINC000527072296 305839778 /nfs/dbraw/zinc/83/97/78/305839778.db2.gz PFZZMGLTAZFGAU-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553805 306022210 /nfs/dbraw/zinc/02/22/10/306022210.db2.gz JXFYSBFIQQZAOM-IAGOWNOFSA-N 1 3 339.528 1.138 20 0 EDADHO CN(CCC(=O)NCCCCN1CCN(C)CC1)c1cc[nH+]cc1 ZINC000540923503 306041646 /nfs/dbraw/zinc/04/16/46/306041646.db2.gz ANZARQZXOCXRAK-UHFFFAOYSA-N 1 3 333.480 1.052 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538504 447404472 /nfs/dbraw/zinc/40/44/72/447404472.db2.gz AABBWWFAQTTWOA-XGXHKWSGSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538504 447404478 /nfs/dbraw/zinc/40/44/78/447404478.db2.gz AABBWWFAQTTWOA-XGXHKWSGSA-N 1 3 342.487 1.995 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426390200 447433131 /nfs/dbraw/zinc/43/31/31/447433131.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426390200 447433136 /nfs/dbraw/zinc/43/31/36/447433136.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 1 3 334.508 1.242 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC000081397184 441263955 /nfs/dbraw/zinc/26/39/55/441263955.db2.gz FKOVCTYSHAKOQR-MRXNPFEDSA-N 1 3 332.492 1.899 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000073444636 441318429 /nfs/dbraw/zinc/31/84/29/441318429.db2.gz FYXGZHCKMZFFLS-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)(C)CN(CCCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106934646 441392238 /nfs/dbraw/zinc/39/22/38/441392238.db2.gz CCHOLANYPPKMJW-UHFFFAOYSA-N 1 3 325.497 1.460 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000074655347 441453076 /nfs/dbraw/zinc/45/30/76/441453076.db2.gz HNRMTJRYNKBQNL-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108567667 441465240 /nfs/dbraw/zinc/46/52/40/441465240.db2.gz YUUILNDQDCJYFZ-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108567667 441465244 /nfs/dbraw/zinc/46/52/44/441465244.db2.gz YUUILNDQDCJYFZ-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173398770 441733671 /nfs/dbraw/zinc/73/36/71/441733671.db2.gz VVZNPKLVCKGFTQ-GDBMZVCRSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173398770 441733677 /nfs/dbraw/zinc/73/36/77/441733677.db2.gz VVZNPKLVCKGFTQ-GDBMZVCRSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000136973235 441736663 /nfs/dbraw/zinc/73/66/63/441736663.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000136973235 441736666 /nfs/dbraw/zinc/73/66/66/441736666.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000137326589 441763499 /nfs/dbraw/zinc/76/34/99/441763499.db2.gz ZEJKEPDJMNPLPD-HNNXBMFYSA-N 1 3 334.464 1.436 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000137326589 441763505 /nfs/dbraw/zinc/76/35/05/441763505.db2.gz ZEJKEPDJMNPLPD-HNNXBMFYSA-N 1 3 334.464 1.436 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000173663940 441819238 /nfs/dbraw/zinc/81/92/38/441819238.db2.gz WPAWAOJNTGJDNV-UHFFFAOYSA-N 1 3 334.445 1.837 20 0 EDADHO CN1CCN(CCCCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000077592911 441810773 /nfs/dbraw/zinc/81/07/73/441810773.db2.gz VWRIVWPLNCEOTM-UHFFFAOYSA-N 1 3 339.528 1.045 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)no1 ZINC000174451283 441925170 /nfs/dbraw/zinc/92/51/70/441925170.db2.gz HKTBJPQDNSSFFG-OAHLLOKOSA-N 1 3 337.468 1.541 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)no1 ZINC000174451283 441925173 /nfs/dbraw/zinc/92/51/73/441925173.db2.gz HKTBJPQDNSSFFG-OAHLLOKOSA-N 1 3 337.468 1.541 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174840503 441974176 /nfs/dbraw/zinc/97/41/76/441974176.db2.gz BCFBVPRGXQDMMW-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174840503 441974178 /nfs/dbraw/zinc/97/41/78/441974178.db2.gz BCFBVPRGXQDMMW-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713178 441955860 /nfs/dbraw/zinc/95/58/60/441955860.db2.gz WFKKJCUIQKTOFA-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000119867080 441967539 /nfs/dbraw/zinc/96/75/39/441967539.db2.gz ZIQJDTRXALQSDB-PKOBYXMFSA-N 1 3 348.491 1.435 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000162149805 442069429 /nfs/dbraw/zinc/06/94/29/442069429.db2.gz BKLKUKBMPQMHGD-IBGZPJMESA-N 1 3 348.491 1.263 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000120636513 442108818 /nfs/dbraw/zinc/10/88/18/442108818.db2.gz DXWVWKKAYGARMN-RHSMWYFYSA-N 1 3 346.475 1.628 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000120636513 442108821 /nfs/dbraw/zinc/10/88/21/442108821.db2.gz DXWVWKKAYGARMN-RHSMWYFYSA-N 1 3 346.475 1.628 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251818 442219659 /nfs/dbraw/zinc/21/96/59/442219659.db2.gz MRWRLUPJSKWVJS-MSOLQXFVSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCN1CCCN(C)CC1 ZINC000128509509 442270939 /nfs/dbraw/zinc/27/09/39/442270939.db2.gz BYPAFWFHBCAQBQ-SFHVURJKSA-N 1 3 338.540 1.785 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171174584 442322862 /nfs/dbraw/zinc/32/28/62/442322862.db2.gz KRQJCIGPNHGGLZ-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171174584 442322865 /nfs/dbraw/zinc/32/28/65/442322865.db2.gz KRQJCIGPNHGGLZ-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000171195891 442325653 /nfs/dbraw/zinc/32/56/53/442325653.db2.gz GBXJKWMIQUJUBC-KRWDZBQOSA-N 1 3 342.528 1.620 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CCOCC3)CC2)CC1 ZINC000171213748 442328722 /nfs/dbraw/zinc/32/87/22/442328722.db2.gz OUTYHGHKGAKJLF-UHFFFAOYSA-N 1 3 338.496 1.271 20 0 EDADHO COc1cccc([C@H](CNC(=O)NCC[NH+](C)C)N2CCCC2)c1 ZINC000133349084 442413580 /nfs/dbraw/zinc/41/35/80/442413580.db2.gz FAUUSFBIFVLPRL-KRWDZBQOSA-N 1 3 334.464 1.693 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4nncn4c3)CC2)CC1 ZINC000156043900 442443994 /nfs/dbraw/zinc/44/39/94/442443994.db2.gz PVQBNVHVJHXVJB-UHFFFAOYSA-N 1 3 342.447 1.018 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000179026295 442554254 /nfs/dbraw/zinc/55/42/54/442554254.db2.gz PWKUSKJGTYBVMB-KRWDZBQOSA-N 1 3 344.503 1.899 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CC[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000157158755 442556014 /nfs/dbraw/zinc/55/60/14/442556014.db2.gz ORGJKSCDPMRVLI-INIZCTEOSA-N 1 3 330.476 1.524 20 0 EDADHO CN(c1ccccc1C[N@H+]1CC[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000157158755 442556019 /nfs/dbraw/zinc/55/60/19/442556019.db2.gz ORGJKSCDPMRVLI-INIZCTEOSA-N 1 3 330.476 1.524 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000178889117 442515254 /nfs/dbraw/zinc/51/52/54/442515254.db2.gz VFQNJMDEKMOWKD-BPUTZDHNSA-N 1 3 336.505 1.489 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000188116975 442713479 /nfs/dbraw/zinc/71/34/79/442713479.db2.gz UQNWLVFRBAGIAR-YJBOKZPZSA-N 1 3 325.497 1.757 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189006927 442860298 /nfs/dbraw/zinc/86/02/98/442860298.db2.gz GVNONDMOQZNLCT-CZUORRHYSA-N 1 3 325.403 1.868 20 0 EDADHO C[C@@H](NC(=O)N(C)CCCN1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000183256098 442912434 /nfs/dbraw/zinc/91/24/34/442912434.db2.gz COQKEJHRIVKXAR-MRXNPFEDSA-N 1 3 341.544 1.242 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748978 442924532 /nfs/dbraw/zinc/92/45/32/442924532.db2.gz GBDOCMFXDRYICI-TYTBLDAYSA-N 1 3 328.497 1.470 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748978 442924535 /nfs/dbraw/zinc/92/45/35/442924535.db2.gz GBDOCMFXDRYICI-TYTBLDAYSA-N 1 3 328.497 1.470 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cnccc2N(C)C)CC1 ZINC000183570729 442942159 /nfs/dbraw/zinc/94/21/59/442942159.db2.gz LXVGUZYCBYUNCN-OAHLLOKOSA-N 1 3 333.480 1.151 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396265 442974618 /nfs/dbraw/zinc/97/46/18/442974618.db2.gz QXXVHMJYROGXEC-BPQIPLTHSA-N 1 3 330.476 1.852 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nn1C ZINC000195118920 442983918 /nfs/dbraw/zinc/98/39/18/442983918.db2.gz COAORVXJSGNRRZ-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nn1C ZINC000195118920 442983924 /nfs/dbraw/zinc/98/39/24/442983924.db2.gz COAORVXJSGNRRZ-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000195128092 442986759 /nfs/dbraw/zinc/98/67/59/442986759.db2.gz MAAKSDVUSJKEDQ-WMZOPIPTSA-N 1 3 331.460 1.948 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190164133 443065796 /nfs/dbraw/zinc/06/57/96/443065796.db2.gz WZEMAJFIIRESED-UHFFFAOYSA-N 1 3 348.491 1.877 20 0 EDADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905275 443142551 /nfs/dbraw/zinc/14/25/51/443142551.db2.gz LQAGSZIPAIWLDM-IIDMSEBBSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905275 443142553 /nfs/dbraw/zinc/14/25/53/443142553.db2.gz LQAGSZIPAIWLDM-IIDMSEBBSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905275 443142555 /nfs/dbraw/zinc/14/25/55/443142555.db2.gz LQAGSZIPAIWLDM-IIDMSEBBSA-N 1 3 333.476 1.897 20 0 EDADHO CCN1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H](C)C1 ZINC000268801638 443112907 /nfs/dbraw/zinc/11/29/07/443112907.db2.gz JLYWPIYPBVOCKQ-QUCCMNQESA-N 1 3 345.535 1.914 20 0 EDADHO O=C(C[NH2+]C1CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000238163214 443196445 /nfs/dbraw/zinc/19/64/45/443196445.db2.gz ZAMIIJZKBDUWJY-UHFFFAOYSA-N 1 3 330.476 1.457 20 0 EDADHO Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000266584504 443176345 /nfs/dbraw/zinc/17/63/45/443176345.db2.gz NBIXDYNDFXWYPA-SFHVURJKSA-N 1 3 333.476 1.418 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000237140334 443161225 /nfs/dbraw/zinc/16/12/25/443161225.db2.gz RUCDMWCWHBHJIQ-MOPGFXCFSA-N 1 3 325.456 1.846 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000262982764 443220299 /nfs/dbraw/zinc/22/02/99/443220299.db2.gz YYLKJFMHAGZQLP-CQSZACIVSA-N 1 3 325.478 1.440 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2CSCCN2)C1 ZINC000262734484 443208940 /nfs/dbraw/zinc/20/89/40/443208940.db2.gz CELYPPPZYSOQCQ-KFWWJZLASA-N 1 3 327.538 1.954 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771298 443211937 /nfs/dbraw/zinc/21/19/37/443211937.db2.gz MJSOSYLZQWCDBZ-TWMKSMIVSA-N 1 3 347.507 1.904 20 0 EDADHO CN1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000269156622 443216305 /nfs/dbraw/zinc/21/63/05/443216305.db2.gz RYWTYSHQJYMZSR-UHFFFAOYSA-N 1 3 336.386 1.901 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000269247310 443249641 /nfs/dbraw/zinc/24/96/41/443249641.db2.gz FCADCBABZULJSI-FRFSOERESA-N 1 3 333.432 1.069 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)C1 ZINC000269247310 443249644 /nfs/dbraw/zinc/24/96/44/443249644.db2.gz FCADCBABZULJSI-FRFSOERESA-N 1 3 333.432 1.069 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000266812824 443252230 /nfs/dbraw/zinc/25/22/30/443252230.db2.gz HYSQIDSZHBPRSA-IBGZPJMESA-N 1 3 342.487 1.505 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000266812824 443252233 /nfs/dbraw/zinc/25/22/33/443252233.db2.gz HYSQIDSZHBPRSA-IBGZPJMESA-N 1 3 342.487 1.505 20 0 EDADHO CCO[C@@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411811119 319206685 /nfs/dbraw/zinc/20/66/85/319206685.db2.gz SJFJLUZNDJKRJA-IAGOWNOFSA-N 1 3 325.497 1.913 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(Cc3cccs3)CC2)C1 ZINC000414674726 319339715 /nfs/dbraw/zinc/33/97/15/319339715.db2.gz FBNXVZGSGCCUGE-HNNXBMFYSA-N 1 3 336.505 1.063 20 0 EDADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414691717 319343217 /nfs/dbraw/zinc/34/32/17/319343217.db2.gz AFWOYKMVXXVNMO-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415736785 319367986 /nfs/dbraw/zinc/36/79/86/319367986.db2.gz FYGURLYOQJYVEV-RHSMWYFYSA-N 1 3 344.459 1.559 20 0 EDADHO C[C@@]1(C(N)=O)CCCCN1CCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917498 443282828 /nfs/dbraw/zinc/28/28/28/443282828.db2.gz FBSNQAUHMMLDBQ-ROUUACIJSA-N 1 3 338.496 1.226 20 0 EDADHO C[C@@]1(C(N)=O)CCCCN1CCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917498 443282833 /nfs/dbraw/zinc/28/28/33/443282833.db2.gz FBSNQAUHMMLDBQ-ROUUACIJSA-N 1 3 338.496 1.226 20 0 EDADHO COC[C@]1(CNC(=O)N(CCN(C)C)Cc2ccco2)CCC[NH2+]1 ZINC000418657757 319508929 /nfs/dbraw/zinc/50/89/29/319508929.db2.gz RTPCLYHEXCXVSR-QGZVFWFLSA-N 1 3 338.452 1.121 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264624667 443351904 /nfs/dbraw/zinc/35/19/04/443351904.db2.gz MFTPOJFKFYKEFX-AATRIKPKSA-N 1 3 330.476 1.880 20 0 EDADHO CN(CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278986302 443482622 /nfs/dbraw/zinc/48/26/22/443482622.db2.gz KMLMCDDTLWXOSA-HNNXBMFYSA-N 1 3 327.432 1.348 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423023136 319746729 /nfs/dbraw/zinc/74/67/29/319746729.db2.gz JCOCDPHSZNGZKG-ZOBUZTSGSA-N 1 3 339.867 1.955 20 0 EDADHO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000273997049 443590554 /nfs/dbraw/zinc/59/05/54/443590554.db2.gz KFQPQKYHOURSIK-BBWFWOEESA-N 1 3 347.503 1.762 20 0 EDADHO COc1ccc(C2=NO[C@H](CNC(=O)CN(C)C(C)C)C2)cc1F ZINC000283463907 443640077 /nfs/dbraw/zinc/64/00/77/443640077.db2.gz IDTYKHBXIPKMAM-ZDUSSCGKSA-N 1 3 337.395 1.784 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000449728003 320202310 /nfs/dbraw/zinc/20/23/10/320202310.db2.gz SPIYHHQDKPFAJO-IAGOWNOFSA-N 1 3 330.476 1.442 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+]C3(C)C)CC2)c1 ZINC000449750406 320204992 /nfs/dbraw/zinc/20/49/92/320204992.db2.gz IYXJHVQKABPIAX-GOSISDBHSA-N 1 3 344.503 1.764 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000452157851 320244916 /nfs/dbraw/zinc/24/49/16/320244916.db2.gz YKEMKPBZIPPVJB-HKUYNNGSSA-N 1 3 337.508 1.724 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458777443 320341029 /nfs/dbraw/zinc/34/10/29/320341029.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 1 3 341.544 1.430 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458777443 320341030 /nfs/dbraw/zinc/34/10/30/320341030.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 1 3 341.544 1.430 20 0 EDADHO CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000298934656 443906783 /nfs/dbraw/zinc/90/67/83/443906783.db2.gz NRAVBWPZYJUFIS-GOSISDBHSA-N 1 3 332.492 1.943 20 0 EDADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000561110447 321032887 /nfs/dbraw/zinc/03/28/87/321032887.db2.gz BSIYQJBVFONVPS-QZTJIDSGSA-N 1 3 346.475 1.501 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000561125554 321034144 /nfs/dbraw/zinc/03/41/44/321034144.db2.gz FTPYWYYUQCBDLN-GOSISDBHSA-N 1 3 330.476 1.745 20 0 EDADHO C[C@@H](CC(=O)Nc1ccc(N2CCNCC2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000561180997 321035248 /nfs/dbraw/zinc/03/52/48/321035248.db2.gz KYSPJGUPOCNBSK-LSDHHAIUSA-N 1 3 331.464 1.456 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1Cc1ccccc1 ZINC000561195462 321036155 /nfs/dbraw/zinc/03/61/55/321036155.db2.gz VGMRDHCGHRDSQQ-XABWRGDLSA-N 1 3 328.460 1.557 20 0 EDADHO COc1ccc2c(c1)OC[C@@H]([NH2+]CCCCN1CCN(C)CC1)C2 ZINC000562775043 321076132 /nfs/dbraw/zinc/07/61/32/321076132.db2.gz XUZHTKPGNURKBG-KRWDZBQOSA-N 1 3 333.476 1.616 20 0 EDADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000562962643 321084589 /nfs/dbraw/zinc/08/45/89/321084589.db2.gz HEFOZAZKPDAYNM-CQSZACIVSA-N 1 3 335.473 1.797 20 0 EDADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CNCCO1 ZINC000567479522 321243496 /nfs/dbraw/zinc/24/34/96/321243496.db2.gz XKMQHQBAHUHPSC-HNNXBMFYSA-N 1 3 326.485 1.319 20 0 EDADHO COCCCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000570938505 321365063 /nfs/dbraw/zinc/36/50/63/321365063.db2.gz GCAHUXUURLWUJF-GOSISDBHSA-N 1 3 338.496 1.272 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135910 321373577 /nfs/dbraw/zinc/37/35/77/321373577.db2.gz RMLKOGVVLWDKGA-MSOLQXFVSA-N 1 3 338.540 1.734 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNCCC(=O)NC(N)=O)CC1 ZINC000574749659 321498801 /nfs/dbraw/zinc/49/88/01/321498801.db2.gz IUQIIDMYBRPXCV-UHFFFAOYSA-N 1 3 332.448 1.593 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000289562573 444172598 /nfs/dbraw/zinc/17/25/98/444172598.db2.gz CTTRRBBYNZCILB-FZKQIMNGSA-N 1 3 349.500 1.785 20 0 EDADHO Cc1ccccc1CNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000289593209 444178462 /nfs/dbraw/zinc/17/84/62/444178462.db2.gz ZRENYJQZUBLNJR-UHFFFAOYSA-N 1 3 334.508 1.427 20 0 EDADHO CC[C@H](O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305093896 444257518 /nfs/dbraw/zinc/25/75/18/444257518.db2.gz ZMDNPRSGZLDWBX-INIZCTEOSA-N 1 3 326.485 1.005 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N2CCCC2)cc1 ZINC000576927001 321607247 /nfs/dbraw/zinc/60/72/47/321607247.db2.gz PLORMMKSQJYFHS-XDNAFOTISA-N 1 3 344.459 1.349 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC(F)(F)F ZINC000577827607 321685067 /nfs/dbraw/zinc/68/50/67/321685067.db2.gz HRVMDLKEMACCMZ-GFCCVEGCSA-N 1 3 326.407 1.710 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000580462068 322055377 /nfs/dbraw/zinc/05/53/77/322055377.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 1 3 349.519 1.520 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000580462068 322055378 /nfs/dbraw/zinc/05/53/78/322055378.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 1 3 349.519 1.520 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000580539098 322063430 /nfs/dbraw/zinc/06/34/30/322063430.db2.gz IPGYSQJRSTVQGT-MSOLQXFVSA-N 1 3 346.475 1.583 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000580555264 322066658 /nfs/dbraw/zinc/06/66/58/322066658.db2.gz LSQXERUFHOSUFN-APWZRJJASA-N 1 3 329.444 1.012 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CNCc2ccccc21 ZINC000580772531 322093432 /nfs/dbraw/zinc/09/34/32/322093432.db2.gz GCXVBHOBSRCQEC-SFHVURJKSA-N 1 3 333.476 1.690 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CNCc2ccccc21 ZINC000580772530 322093501 /nfs/dbraw/zinc/09/35/01/322093501.db2.gz GCXVBHOBSRCQEC-GOSISDBHSA-N 1 3 333.476 1.690 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000580951438 322116758 /nfs/dbraw/zinc/11/67/58/322116758.db2.gz SCBYREQFTOKUKK-RTBURBONSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H](NC(=O)c1ccn(CCN(C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581200636 322149531 /nfs/dbraw/zinc/14/95/31/322149531.db2.gz RATFXJVIFDYOKY-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@@H](NC(=O)c1ccn(CCN(C)C)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581200636 322149533 /nfs/dbraw/zinc/14/95/33/322149533.db2.gz RATFXJVIFDYOKY-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)CC1 ZINC000581249465 322154535 /nfs/dbraw/zinc/15/45/35/322154535.db2.gz DHZDICCWBWVUJH-NLWGTHIKSA-N 1 3 348.535 1.393 20 0 EDADHO NC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000581309662 322162537 /nfs/dbraw/zinc/16/25/37/322162537.db2.gz HLQHCMDKSWMOEK-ZACQAIPSSA-N 1 3 335.423 1.223 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000332596362 444521438 /nfs/dbraw/zinc/52/14/38/444521438.db2.gz HVNGCYPKWPLMDE-LVQVYYBASA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000332596362 444521442 /nfs/dbraw/zinc/52/14/42/444521442.db2.gz HVNGCYPKWPLMDE-LVQVYYBASA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000332596362 444521446 /nfs/dbraw/zinc/52/14/46/444521446.db2.gz HVNGCYPKWPLMDE-LVQVYYBASA-N 1 3 329.510 1.311 20 0 EDADHO CC(C)[C@H](CNC(=O)C1([NH3+])CCOCC1)N1CCc2ccccc2C1 ZINC000338150806 444537950 /nfs/dbraw/zinc/53/79/50/444537950.db2.gz PONVAOQTGDQCQD-SFHVURJKSA-N 1 3 345.487 1.693 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCCN1C ZINC000343713840 444539933 /nfs/dbraw/zinc/53/99/33/444539933.db2.gz NSTWKXJREAUNKU-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H](C(=O)NC1CCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344034560 444740929 /nfs/dbraw/zinc/74/09/29/444740929.db2.gz HCECFJPCNCKVBE-INIZCTEOSA-N 1 3 326.529 1.639 20 0 EDADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054543 444753211 /nfs/dbraw/zinc/75/32/11/444753211.db2.gz JCUREKSRPYDARF-KZNAEPCWSA-N 1 3 340.556 1.743 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCCC3)C2)C[C@@H](C)O1 ZINC000341469119 444847146 /nfs/dbraw/zinc/84/71/46/444847146.db2.gz XBKQIMGGCQQMSK-ZJPYXAASSA-N 1 3 325.497 1.017 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](N3CCCCC3)C2)C[C@@H](C)O1 ZINC000341469119 444847148 /nfs/dbraw/zinc/84/71/48/444847148.db2.gz XBKQIMGGCQQMSK-ZJPYXAASSA-N 1 3 325.497 1.017 20 0 EDADHO CC1(C)NC(=O)N(CCCN2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041603 444913416 /nfs/dbraw/zinc/91/34/16/444913416.db2.gz BKWREOXUQCRVMB-JKSUJKDBSA-N 1 3 344.459 1.381 20 0 EDADHO CC[NH+](CC)CCOC1CCN(CCN2CCOC[C@H]2C)CC1 ZINC000337174192 444973088 /nfs/dbraw/zinc/97/30/88/444973088.db2.gz HQQFJYIHLLHJEV-QGZVFWFLSA-N 1 3 327.513 1.530 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000337193702 444980761 /nfs/dbraw/zinc/98/07/61/444980761.db2.gz UTQWQAHDRHHDNV-MRXNPFEDSA-N 1 3 333.476 1.327 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067506 445017687 /nfs/dbraw/zinc/01/76/87/445017687.db2.gz LBNLHMWBQCTWLM-GJZGRUSLSA-N 1 3 334.464 1.458 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067506 445017690 /nfs/dbraw/zinc/01/76/90/445017690.db2.gz LBNLHMWBQCTWLM-GJZGRUSLSA-N 1 3 334.464 1.458 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000343084673 445050700 /nfs/dbraw/zinc/05/07/00/445050700.db2.gz TUMVHDOVNOIOAF-SFHVURJKSA-N 1 3 348.535 1.681 20 0 EDADHO CCN(CC)CC(=O)NC[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000337386583 445058924 /nfs/dbraw/zinc/05/89/24/445058924.db2.gz DLBICALOYWJFRD-INIZCTEOSA-N 1 3 340.512 1.025 20 0 EDADHO CCN(CC)CC(=O)N1CCC[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000337386583 445058928 /nfs/dbraw/zinc/05/89/28/445058928.db2.gz DLBICALOYWJFRD-INIZCTEOSA-N 1 3 340.512 1.025 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337550260 445133124 /nfs/dbraw/zinc/13/31/24/445133124.db2.gz YXEVORYUCPTDJH-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000345765212 445198764 /nfs/dbraw/zinc/19/87/64/445198764.db2.gz YYZXYJTVFSYYJG-YQQAZPJKSA-N 1 3 340.512 1.203 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1 ZINC000348083456 445265278 /nfs/dbraw/zinc/26/52/78/445265278.db2.gz YHIZTSMMQYLKMR-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354588035 445305080 /nfs/dbraw/zinc/30/50/80/445305080.db2.gz UTYNYMXDXMCNJC-YESZJQIVSA-N 1 3 325.497 1.581 20 0 EDADHO CC[N@H+](CCNC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1)C(C)C ZINC000348129576 445284121 /nfs/dbraw/zinc/28/41/21/445284121.db2.gz TZIMGFWMCTWOPX-DLBZAZTESA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+](CCNC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1)C(C)C ZINC000348129576 445284124 /nfs/dbraw/zinc/28/41/24/445284124.db2.gz TZIMGFWMCTWOPX-DLBZAZTESA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863714 445347022 /nfs/dbraw/zinc/34/70/22/445347022.db2.gz UQUKAPDKPPTVHA-GJZGRUSLSA-N 1 3 344.459 1.811 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)CCOC2C[NH2+]C2)N2CCCC2)cc1 ZINC000349004349 445473021 /nfs/dbraw/zinc/47/30/21/445473021.db2.gz RPBUCSWXGGQVLC-GOSISDBHSA-N 1 3 331.460 1.627 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000355707849 445474729 /nfs/dbraw/zinc/47/47/29/445474729.db2.gz GMKBIGHAYCQXHA-FUHWJXTLSA-N 1 3 338.540 1.780 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000359901274 445479974 /nfs/dbraw/zinc/47/99/74/445479974.db2.gz PWALWSCYVLKPIF-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357107534 445432270 /nfs/dbraw/zinc/43/22/70/445432270.db2.gz RRURWSJQONFEFH-MRXNPFEDSA-N 1 3 341.455 1.994 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557913 445438935 /nfs/dbraw/zinc/43/89/35/445438935.db2.gz DWCMYJITMXKHLK-ZNMIVQPWSA-N 1 3 349.479 1.106 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360124595 445580464 /nfs/dbraw/zinc/58/04/64/445580464.db2.gz LUMUXYHDPXSRCB-CVEARBPZSA-N 1 3 328.501 1.107 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360124595 445580470 /nfs/dbraw/zinc/58/04/70/445580470.db2.gz LUMUXYHDPXSRCB-CVEARBPZSA-N 1 3 328.501 1.107 20 0 EDADHO O=C(NCCN1CCCCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356117030 445630636 /nfs/dbraw/zinc/63/06/36/445630636.db2.gz MIDUQJCVNXUIHW-UHFFFAOYSA-N 1 3 338.496 1.417 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000358534299 445638643 /nfs/dbraw/zinc/63/86/43/445638643.db2.gz VPBFKADTSFWHDG-BPQIPLTHSA-N 1 3 348.491 1.119 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010400 445648288 /nfs/dbraw/zinc/64/82/88/445648288.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010400 445648294 /nfs/dbraw/zinc/64/82/94/445648294.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 1 3 338.496 1.269 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCCC1 ZINC000360248223 445654861 /nfs/dbraw/zinc/65/48/61/445654861.db2.gz GQAYPLCBXWZQJV-IBGZPJMESA-N 1 3 332.492 1.482 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349756987 445667930 /nfs/dbraw/zinc/66/79/30/445667930.db2.gz JMCBTPUVMQRTTQ-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CC(C)OCC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000349903794 445716782 /nfs/dbraw/zinc/71/67/82/445716782.db2.gz BJYOJNMSMMXHMK-FGTMMUONSA-N 1 3 327.513 1.120 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H](O)CN1CCCCC1)C[NH+]1CCCC1 ZINC000358746572 445755476 /nfs/dbraw/zinc/75/54/76/445755476.db2.gz SRUSQLZFBQVGCY-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323690 445766235 /nfs/dbraw/zinc/76/62/35/445766235.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323690 445766237 /nfs/dbraw/zinc/76/62/37/445766237.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000350617241 445855105 /nfs/dbraw/zinc/85/51/05/445855105.db2.gz BLDKQRFAIFYWQR-LSDHHAIUSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCC[C@H]1C ZINC000354016291 445856504 /nfs/dbraw/zinc/85/65/04/445856504.db2.gz YOQADPUGFPQREU-WBVHZDCISA-N 1 3 325.497 1.770 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000369221497 446002846 /nfs/dbraw/zinc/00/28/46/446002846.db2.gz XFBKZGOOUQHKPM-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000369221497 446002853 /nfs/dbraw/zinc/00/28/53/446002853.db2.gz XFBKZGOOUQHKPM-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000583131430 326007967 /nfs/dbraw/zinc/00/79/67/326007967.db2.gz IKBMJZZVFZFQOH-OAHLLOKOSA-N 1 3 348.495 1.969 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)COc1ccccc1 ZINC000583930043 326166736 /nfs/dbraw/zinc/16/67/36/326166736.db2.gz NVKIWGKYPAMUKE-YZGWKJHDSA-N 1 3 348.487 1.784 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000369348613 446091354 /nfs/dbraw/zinc/09/13/54/446091354.db2.gz JLWGICSWNCZNHX-INMHGKMJSA-N 1 3 336.476 1.903 20 0 EDADHO CC[C@H](C)N(C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278860 446114539 /nfs/dbraw/zinc/11/45/39/446114539.db2.gz UAFSSMUXLSZWIB-FHERZECASA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359346569 446165187 /nfs/dbraw/zinc/16/51/87/446165187.db2.gz CECIEAUTFQTWNE-OAHLLOKOSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489955 446229911 /nfs/dbraw/zinc/22/99/11/446229911.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 1 3 330.476 1.145 20 0 EDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489955 446229915 /nfs/dbraw/zinc/22/99/15/446229915.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 1 3 330.476 1.145 20 0 EDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489955 446229919 /nfs/dbraw/zinc/22/99/19/446229919.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 1 3 330.476 1.145 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231448 /nfs/dbraw/zinc/23/14/48/446231448.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 1 3 343.471 1.739 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479516 446231452 /nfs/dbraw/zinc/23/14/52/446231452.db2.gz HEOLTJUPZPZACX-IAGOWNOFSA-N 1 3 343.471 1.739 20 0 EDADHO C[C@H]1CN(C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532413 446251489 /nfs/dbraw/zinc/25/14/89/446251489.db2.gz WSBDFCGCACPVIQ-FXAWDEMLSA-N 1 3 331.504 1.994 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCCNC1=O ZINC000362364168 446335688 /nfs/dbraw/zinc/33/56/88/446335688.db2.gz HABLHFBTIRKRCK-GOSISDBHSA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417364420 446349702 /nfs/dbraw/zinc/34/97/02/446349702.db2.gz MUDAZNXDZYDMEW-QGZVFWFLSA-N 1 3 348.491 1.958 20 0 EDADHO COCCN(C)CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436401 446352048 /nfs/dbraw/zinc/35/20/48/446352048.db2.gz DRUKFNKZQNZSDC-CVEARBPZSA-N 1 3 326.485 1.128 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000376145365 446354456 /nfs/dbraw/zinc/35/44/56/446354456.db2.gz AOWKQQLRNVLJRZ-IBGZPJMESA-N 1 3 345.487 1.785 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523044 446361487 /nfs/dbraw/zinc/36/14/87/446361487.db2.gz HNVQOHOCGMAQDA-WBVHZDCISA-N 1 3 348.491 1.548 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000417524021 446361929 /nfs/dbraw/zinc/36/19/29/446361929.db2.gz ITQWNORABKVJIF-MRXNPFEDSA-N 1 3 334.464 1.221 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843496 446367482 /nfs/dbraw/zinc/36/74/82/446367482.db2.gz LOKKSQZYINUQFK-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365872003 446380942 /nfs/dbraw/zinc/38/09/42/446380942.db2.gz SWXFAGVWPFBBPP-LSDHHAIUSA-N 1 3 326.485 1.221 20 0 EDADHO CN1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000417936832 446390936 /nfs/dbraw/zinc/39/09/36/446390936.db2.gz HUUHDMMOOSQIOU-SQNIBIBYSA-N 1 3 328.460 1.968 20 0 EDADHO CN(C)C(=O)c1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000418066697 446429985 /nfs/dbraw/zinc/42/99/85/446429985.db2.gz LVGXEKGVRWLLAP-UHFFFAOYSA-N 1 3 346.519 1.846 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418187112 446452455 /nfs/dbraw/zinc/45/24/55/446452455.db2.gz CWWDVYYCEYZYSR-LSDHHAIUSA-N 1 3 349.479 1.304 20 0 EDADHO CN(CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000376336222 446437336 /nfs/dbraw/zinc/43/73/36/446437336.db2.gz VBSWNZSXKVYNKS-MOPGFXCFSA-N 1 3 335.467 1.789 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000418144076 446441824 /nfs/dbraw/zinc/44/18/24/446441824.db2.gz MXXROKOTSQDMHM-QRVBRYPASA-N 1 3 342.487 1.900 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418170344 446443954 /nfs/dbraw/zinc/44/39/54/446443954.db2.gz SALHVFMIQVEHLW-ZNMIVQPWSA-N 1 3 338.452 1.387 20 0 EDADHO COC[C@@]1(CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972488 446404530 /nfs/dbraw/zinc/40/45/30/446404530.db2.gz BOBHVMHNCLUFNI-LPHOPBHVSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417988241 446409463 /nfs/dbraw/zinc/40/94/63/446409463.db2.gz ILOXBGAFTXERKZ-JCGIZDLHSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011612 446415133 /nfs/dbraw/zinc/41/51/33/446415133.db2.gz LBZHBRLEWYQKGY-IMFGXOCKSA-N 1 3 342.487 1.902 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCN(C)CC1 ZINC000418199342 446455464 /nfs/dbraw/zinc/45/54/64/446455464.db2.gz NKIQTSXDPUCNKQ-SHTZXODSSA-N 1 3 342.553 1.878 20 0 EDADHO CC(C)C[C@H](CN)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423261771 446467245 /nfs/dbraw/zinc/46/72/45/446467245.db2.gz KUMVAWLFFHUARH-CJNGLKHVSA-N 1 3 325.478 1.674 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423307617 446481961 /nfs/dbraw/zinc/48/19/61/446481961.db2.gz HMBHCNBTLHQTQG-OAHLLOKOSA-N 1 3 341.459 1.868 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418293239 446487856 /nfs/dbraw/zinc/48/78/56/446487856.db2.gz ZVGNMXCHNOPWEQ-IBGZPJMESA-N 1 3 346.475 1.065 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000418338629 446506802 /nfs/dbraw/zinc/50/68/02/446506802.db2.gz LKQRIXBLGDWYMO-GOSISDBHSA-N 1 3 345.491 1.831 20 0 EDADHO CC(C)[C@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000423378860 446510734 /nfs/dbraw/zinc/51/07/34/446510734.db2.gz LEAGSAMZGPLZBH-QAPCUYQASA-N 1 3 335.492 1.905 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383932 446511313 /nfs/dbraw/zinc/51/13/13/446511313.db2.gz FRZQRLCMOYOGTE-RHSMWYFYSA-N 1 3 346.475 1.379 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341515 446512934 /nfs/dbraw/zinc/51/29/34/446512934.db2.gz ORPPWZPQBKJCGM-IRXDYDNUSA-N 1 3 344.459 1.334 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1C[NH2+]C1 ZINC000418481494 446559984 /nfs/dbraw/zinc/55/99/84/446559984.db2.gz CWVIQBQKLYMAHR-UHFFFAOYSA-N 1 3 326.391 1.257 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418486077 446562687 /nfs/dbraw/zinc/56/26/87/446562687.db2.gz INRGSQXVSVLBGP-QAPCUYQASA-N 1 3 330.476 1.887 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418367208 446516757 /nfs/dbraw/zinc/51/67/57/446516757.db2.gz ZFZOYKLXSLOMOT-IRXDYDNUSA-N 1 3 333.480 1.013 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418376303 446519970 /nfs/dbraw/zinc/51/99/70/446519970.db2.gz IJEAHIFCQVBEBT-MJGOQNOKSA-N 1 3 328.460 1.656 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418415576 446535637 /nfs/dbraw/zinc/53/56/37/446535637.db2.gz NWEYKSCWYIEABU-PKOBYXMFSA-N 1 3 348.491 1.296 20 0 EDADHO O=C(NCC1C[NH2+]C1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423468514 446548915 /nfs/dbraw/zinc/54/89/15/446548915.db2.gz CBPWVWDFQYBGBE-HUUCEWRRSA-N 1 3 341.377 1.633 20 0 EDADHO CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC1 ZINC000420369794 446549625 /nfs/dbraw/zinc/54/96/25/446549625.db2.gz IZFBWBZGIMQDQF-UFYCRDLUSA-N 1 3 345.487 1.393 20 0 EDADHO CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC1 ZINC000420369794 446549627 /nfs/dbraw/zinc/54/96/27/446549627.db2.gz IZFBWBZGIMQDQF-UFYCRDLUSA-N 1 3 345.487 1.393 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420377607 446555264 /nfs/dbraw/zinc/55/52/64/446555264.db2.gz PVGRYHIBZVOVMI-HKUYNNGSSA-N 1 3 344.503 1.308 20 0 EDADHO [NH3+]CC1(O)CCN(CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000420406393 446580868 /nfs/dbraw/zinc/58/08/68/446580868.db2.gz QPFKMDJPASMLTE-UHFFFAOYSA-N 1 3 329.803 1.593 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000418587858 446603732 /nfs/dbraw/zinc/60/37/32/446603732.db2.gz RITOQPNCEXPJQN-AOIWGVFYSA-N 1 3 346.475 1.193 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000376693870 446656720 /nfs/dbraw/zinc/65/67/20/446656720.db2.gz CUZCATQZPBGZNO-KBXCAEBGSA-N 1 3 348.422 1.024 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)C1 ZINC000376693870 446656723 /nfs/dbraw/zinc/65/67/23/446656723.db2.gz CUZCATQZPBGZNO-KBXCAEBGSA-N 1 3 348.422 1.024 20 0 EDADHO COCC[C@]1(C(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]C1 ZINC000376695914 446657286 /nfs/dbraw/zinc/65/72/86/446657286.db2.gz SNZGDXPWVYRBPL-LJQANCHMSA-N 1 3 349.475 1.259 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423738906 446670264 /nfs/dbraw/zinc/67/02/64/446670264.db2.gz FNYCDQADNLEJGX-PMPSAXMXSA-N 1 3 339.480 1.380 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423745340 446674216 /nfs/dbraw/zinc/67/42/16/446674216.db2.gz MHABTPUSPZQYPY-JKSUJKDBSA-N 1 3 339.480 1.252 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418643422 446629144 /nfs/dbraw/zinc/62/91/44/446629144.db2.gz UODLPUOYCPCLSY-CRAIPNDOSA-N 1 3 330.476 1.857 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418643422 446629149 /nfs/dbraw/zinc/62/91/49/446629149.db2.gz UODLPUOYCPCLSY-CRAIPNDOSA-N 1 3 330.476 1.857 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418781092 446699102 /nfs/dbraw/zinc/69/91/02/446699102.db2.gz CSWBINNAGMHXCP-HNNXBMFYSA-N 1 3 340.493 1.200 20 0 EDADHO CN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627374 446704163 /nfs/dbraw/zinc/70/41/63/446704163.db2.gz RBENMHRJAXWJNH-KRWDZBQOSA-N 1 3 345.491 1.194 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418940954 446815280 /nfs/dbraw/zinc/81/52/80/446815280.db2.gz UIHOMENHEPZLNE-QGZVFWFLSA-N 1 3 346.475 1.041 20 0 EDADHO CC[N@H+](CCO)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412268791 446918406 /nfs/dbraw/zinc/91/84/06/446918406.db2.gz KKNBGKYQUAFTGU-UHFFFAOYSA-N 1 3 333.476 1.717 20 0 EDADHO CC[N@@H+](CCO)CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412268791 446918413 /nfs/dbraw/zinc/91/84/13/446918413.db2.gz KKNBGKYQUAFTGU-UHFFFAOYSA-N 1 3 333.476 1.717 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000368617195 446983818 /nfs/dbraw/zinc/98/38/18/446983818.db2.gz GSKAYBMGAZDCSJ-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCCCN1CCO ZINC000455231169 447092174 /nfs/dbraw/zinc/09/21/74/447092174.db2.gz QOKAQQISKAXEMH-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H](C)N(C)C)CC2)CC1 ZINC000455424201 447126389 /nfs/dbraw/zinc/12/63/89/447126389.db2.gz CSSCGQXHPRLWKL-INIZCTEOSA-N 1 3 339.528 1.137 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000455673581 447205533 /nfs/dbraw/zinc/20/55/33/447205533.db2.gz YHJVJYFVMYPKTO-UHFFFAOYSA-N 1 3 336.484 1.875 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369048880 447288397 /nfs/dbraw/zinc/28/83/97/447288397.db2.gz YOMDSSWWYBIFIG-MQVJKMGUSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000369048880 447288403 /nfs/dbraw/zinc/28/84/03/447288403.db2.gz YOMDSSWWYBIFIG-MQVJKMGUSA-N 1 3 326.485 1.079 20 0 EDADHO CC(C)(CNC(=O)N[C@H]1CCCN(CCCO)C1)C[NH+]1CCCC1 ZINC000458686111 447452018 /nfs/dbraw/zinc/45/20/18/447452018.db2.gz ABOUNOGWNPWAJZ-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904123 447488572 /nfs/dbraw/zinc/48/85/72/447488572.db2.gz FYRJPYIIOPAUMX-DZGCQCFKSA-N 1 3 344.484 1.895 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CN2CCCCC2)CCCCC1 ZINC000427051481 447535401 /nfs/dbraw/zinc/53/54/01/447535401.db2.gz BVEDBWNQBLARIU-MRXNPFEDSA-N 1 3 325.497 1.462 20 0 EDADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000457547720 447594256 /nfs/dbraw/zinc/59/42/56/447594256.db2.gz YJYRHKGZLOHHJH-KRWDZBQOSA-N 1 3 340.512 1.254 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000459163407 447602520 /nfs/dbraw/zinc/60/25/20/447602520.db2.gz LABVKXVQYHFRPU-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000459163407 447602523 /nfs/dbraw/zinc/60/25/23/447602523.db2.gz LABVKXVQYHFRPU-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459264389 447625964 /nfs/dbraw/zinc/62/59/64/447625964.db2.gz MYQUDWRUIOQKLP-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264389 447625969 /nfs/dbraw/zinc/62/59/69/447625969.db2.gz MYQUDWRUIOQKLP-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048765 447708202 /nfs/dbraw/zinc/70/82/02/447708202.db2.gz OSISOZAZXKIDGT-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831886 447763657 /nfs/dbraw/zinc/76/36/57/447763657.db2.gz KCEILVDUHRLTCR-ICSRJNTNSA-N 1 3 330.520 1.924 20 0 EDADHO c1ccc(CCN2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714739 447725814 /nfs/dbraw/zinc/72/58/14/447725814.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 1 3 343.515 1.908 20 0 EDADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](C)N1CCOCC1 ZINC000422733079 447731980 /nfs/dbraw/zinc/73/19/80/447731980.db2.gz ARYDAJSSJUFSNA-JSFADZTLSA-N 1 3 345.487 1.941 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422738996 447733710 /nfs/dbraw/zinc/73/37/10/447733710.db2.gz KPWVZSJPZLFBKR-QYZOEREBSA-N 1 3 344.503 1.657 20 0 EDADHO CC[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422779633 447748034 /nfs/dbraw/zinc/74/80/34/447748034.db2.gz GCZSTBKNIPDBMR-GJZGRUSLSA-N 1 3 336.480 1.751 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777844 447748383 /nfs/dbraw/zinc/74/83/83/447748383.db2.gz GIVRYZBVJZUCKE-GDBMZVCRSA-N 1 3 328.464 1.902 20 0 EDADHO COc1ccc([C@H](NCCCN2CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795088 447752474 /nfs/dbraw/zinc/75/24/74/447752474.db2.gz ZRGNEGRJHGKKLA-PMACEKPBSA-N 1 3 346.519 1.715 20 0 EDADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)C1 ZINC000422849018 447768989 /nfs/dbraw/zinc/76/89/89/447768989.db2.gz LAJLFPWCZUYGHV-VVLHAWIVSA-N 1 3 333.476 1.863 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422985777 447787594 /nfs/dbraw/zinc/78/75/94/447787594.db2.gz AGSCNXPFUKPLPM-WCQYABFASA-N 1 3 332.366 1.934 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1CNC1 ZINC000422985777 447787596 /nfs/dbraw/zinc/78/75/96/447787596.db2.gz AGSCNXPFUKPLPM-WCQYABFASA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH3+])C1 ZINC000430930404 447788219 /nfs/dbraw/zinc/78/82/19/447788219.db2.gz ALIWYTQAWUZGMA-FUHWJXTLSA-N 1 3 344.503 1.436 20 0 EDADHO C[C@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000423111334 447806797 /nfs/dbraw/zinc/80/67/97/447806797.db2.gz IVOUIIXQMDHCPG-SNVBAGLBSA-N 1 3 337.848 1.474 20 0 EDADHO CCOC(=O)N[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496721959 447856387 /nfs/dbraw/zinc/85/63/87/447856387.db2.gz QMXIPCPENXKHCK-LUKYLMHMSA-N 1 3 341.496 1.894 20 0 EDADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccccc1 ZINC000576029824 447953662 /nfs/dbraw/zinc/95/36/62/447953662.db2.gz BRTJEZBHMAHLLY-ZWKOTPCHSA-N 1 3 331.460 1.983 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COCc2cccs2)CCCO1 ZINC000569920980 447917346 /nfs/dbraw/zinc/91/73/46/447917346.db2.gz OFIFVHQYWYQPFO-JKSUJKDBSA-N 1 3 342.505 1.716 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COCc2cccs2)CCCO1 ZINC000569920980 447917350 /nfs/dbraw/zinc/91/73/50/447917350.db2.gz OFIFVHQYWYQPFO-JKSUJKDBSA-N 1 3 342.505 1.716 20 0 EDADHO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530995124 447996283 /nfs/dbraw/zinc/99/62/83/447996283.db2.gz ORQKSHACUXANPG-IRXDYDNUSA-N 1 3 342.528 1.572 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531056126 448011014 /nfs/dbraw/zinc/01/10/14/448011014.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 1 3 333.476 1.472 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531056126 448011022 /nfs/dbraw/zinc/01/10/22/448011022.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 1 3 333.476 1.472 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000576330203 448027947 /nfs/dbraw/zinc/02/79/47/448027947.db2.gz ANXMHXAGJUMFPF-INIZCTEOSA-N 1 3 334.464 1.507 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409733 448049037 /nfs/dbraw/zinc/04/90/37/448049037.db2.gz AMAJQRYFAPCTME-SJORKVTESA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298316 448058324 /nfs/dbraw/zinc/05/83/24/448058324.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 1 3 345.487 1.565 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298316 448058328 /nfs/dbraw/zinc/05/83/28/448058328.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 1 3 345.487 1.565 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]CCCCN3CCN(C)CC3)cc12 ZINC000555554276 448087043 /nfs/dbraw/zinc/08/70/43/448087043.db2.gz URFUNXWWRXVDOE-UHFFFAOYSA-N 1 3 330.480 1.394 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000571277453 448124699 /nfs/dbraw/zinc/12/46/99/448124699.db2.gz IUYCXVPDBNUJDC-IEBWSBKVSA-N 1 3 348.487 1.825 20 0 EDADHO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531704012 448130525 /nfs/dbraw/zinc/13/05/25/448130525.db2.gz QIRXAQLMTZFCOB-DLBZAZTESA-N 1 3 335.492 1.998 20 0 EDADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000507533775 448145125 /nfs/dbraw/zinc/14/51/25/448145125.db2.gz TZUKRZJFXAHRNW-QRQLOZEOSA-N 1 3 347.503 1.680 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739494 448197780 /nfs/dbraw/zinc/19/77/80/448197780.db2.gz QZXPSVBLMQIXPU-QZTJIDSGSA-N 1 3 330.476 1.434 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532282266 448226264 /nfs/dbraw/zinc/22/62/64/448226264.db2.gz JGHRSSJUICAZGS-OIISXLGYSA-N 1 3 338.496 1.100 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000514932927 448227671 /nfs/dbraw/zinc/22/76/71/448227671.db2.gz NRLBUZVISCYQKH-KSSFIOAISA-N 1 3 332.444 1.869 20 0 EDADHO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000515232780 448279133 /nfs/dbraw/zinc/27/91/33/448279133.db2.gz UBRUXYAXLZITAY-MSXOGSJSSA-N 1 3 337.493 1.936 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791488 448341928 /nfs/dbraw/zinc/34/19/28/448341928.db2.gz YZYIRCOSWVFYTG-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768067 448357279 /nfs/dbraw/zinc/35/72/79/448357279.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768067 448357287 /nfs/dbraw/zinc/35/72/87/448357287.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)n3ccnc3)CC2)CC1 ZINC000572249526 448327378 /nfs/dbraw/zinc/32/73/78/448327378.db2.gz OFMBSTHCSICALD-QGZVFWFLSA-N 1 3 347.507 1.853 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)n3ccnc3)CC2)CC1 ZINC000572249526 448327384 /nfs/dbraw/zinc/32/73/84/448327384.db2.gz OFMBSTHCSICALD-QGZVFWFLSA-N 1 3 347.507 1.853 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000577964232 448427860 /nfs/dbraw/zinc/42/78/60/448427860.db2.gz DCHZZLQMYSTNKH-MSOLQXFVSA-N 1 3 330.476 1.697 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186776 448478889 /nfs/dbraw/zinc/47/88/89/448478889.db2.gz BJLJBTMOGMACBF-RKVPGOIHSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186776 448478897 /nfs/dbraw/zinc/47/88/97/448478897.db2.gz BJLJBTMOGMACBF-RKVPGOIHSA-N 1 3 325.497 1.063 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210867 448486951 /nfs/dbraw/zinc/48/69/51/448486951.db2.gz GNFBETHXOBIHPL-WMZOPIPTSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210867 448486954 /nfs/dbraw/zinc/48/69/54/448486954.db2.gz GNFBETHXOBIHPL-WMZOPIPTSA-N 1 3 338.496 1.149 20 0 EDADHO CC[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000573222819 448575823 /nfs/dbraw/zinc/57/58/23/448575823.db2.gz JSWFVEXQZDRHSX-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)cc1 ZINC000578642560 448602764 /nfs/dbraw/zinc/60/27/64/448602764.db2.gz QOANNGOWCFEVMD-KDOFPFPSSA-N 1 3 332.444 1.869 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2N[C@@H]2CCC[NH2+]CC2)C1 ZINC000518491538 448684050 /nfs/dbraw/zinc/68/40/50/448684050.db2.gz NXNIRDNRSYUOBE-DLBZAZTESA-N 1 3 330.476 1.938 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579211939 448740360 /nfs/dbraw/zinc/74/03/60/448740360.db2.gz BPMFTVBQLMYXKV-IAGOWNOFSA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579211939 448740364 /nfs/dbraw/zinc/74/03/64/448740364.db2.gz BPMFTVBQLMYXKV-IAGOWNOFSA-N 1 3 342.443 1.014 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC000592219286 448753400 /nfs/dbraw/zinc/75/34/00/448753400.db2.gz IRCNOSVCZVWILF-CEXWTWQISA-N 1 3 348.535 1.249 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579493375 448809742 /nfs/dbraw/zinc/80/97/42/448809742.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579493375 448809748 /nfs/dbraw/zinc/80/97/48/448809748.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cnc4c(c3)CNCC4)c21 ZINC000592540771 448888973 /nfs/dbraw/zinc/88/89/73/448888973.db2.gz MSZLOHLCVREGFI-LLVKDONJSA-N 1 3 326.404 1.012 20 0 EDADHO CS[C@@H]1CN(C(=O)CCN(C)c2ccncc2)C[C@@H]1[NH+]1CCCC1 ZINC000547950223 448953307 /nfs/dbraw/zinc/95/33/07/448953307.db2.gz OTZLCIZLJAUIEQ-DLBZAZTESA-N 1 3 348.516 1.946 20 0 EDADHO CN(C[C@H](O)C[NH2+]CC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000582355214 449072345 /nfs/dbraw/zinc/07/23/45/449072345.db2.gz AQEAUKMMOXPFKS-QGZVFWFLSA-N 1 3 341.565 1.783 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H](N4CCCC4)C3)c21 ZINC000592956225 449076559 /nfs/dbraw/zinc/07/65/59/449076559.db2.gz DXKVYLBXIQSWNF-LSDHHAIUSA-N 1 3 331.464 1.420 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958179 449080411 /nfs/dbraw/zinc/08/04/11/449080411.db2.gz VFNQGGQTQQICNR-RBSFLKMASA-N 1 3 333.480 1.569 20 0 EDADHO C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N1CCC(C)CC1 ZINC000592958677 449081871 /nfs/dbraw/zinc/08/18/71/449081871.db2.gz ZWTVOIPCQUDDCC-HUUCEWRRSA-N 1 3 333.480 1.569 20 0 EDADHO CN(C)CCOc1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1 ZINC000589651097 449046977 /nfs/dbraw/zinc/04/69/77/449046977.db2.gz CUBIVFGZFCASII-UHFFFAOYSA-N 1 3 331.464 1.997 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CCN(C)CC1 ZINC000589714588 449056376 /nfs/dbraw/zinc/05/63/76/449056376.db2.gz UIEBFBYRZPCALA-OAHLLOKOSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900398 449241212 /nfs/dbraw/zinc/24/12/12/449241212.db2.gz FDUGLMCEOYJWHP-ZFWWWQNUSA-N 1 3 338.496 1.711 20 0 EDADHO CSCC[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945319 449271575 /nfs/dbraw/zinc/27/15/75/449271575.db2.gz LHQKAPJMZNLIPP-IRXDYDNUSA-N 1 3 335.517 1.842 20 0 EDADHO CSCC[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945319 449271578 /nfs/dbraw/zinc/27/15/78/449271578.db2.gz LHQKAPJMZNLIPP-IRXDYDNUSA-N 1 3 335.517 1.842 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)CC1 ZINC000595949499 449275595 /nfs/dbraw/zinc/27/55/95/449275595.db2.gz WCTCLLVUIOZMDO-QGZVFWFLSA-N 1 3 334.508 1.288 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](Nc3cc(-n4ccnc4)ncn3)C2)CC1 ZINC000607145568 449578659 /nfs/dbraw/zinc/57/86/59/449578659.db2.gz FYQAYRXKSJIIGO-AWEZNQCLSA-N 1 3 327.436 1.243 20 0 EDADHO Cc1ncc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617505729 449653974 /nfs/dbraw/zinc/65/39/74/449653974.db2.gz NTVXCNKCCOKNPE-NSHDSACASA-N 1 3 327.860 1.440 20 0 EDADHO Cc1ncc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617505729 449653981 /nfs/dbraw/zinc/65/39/81/449653981.db2.gz NTVXCNKCCOKNPE-NSHDSACASA-N 1 3 327.860 1.440 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000617507775 449658867 /nfs/dbraw/zinc/65/88/67/449658867.db2.gz IWYSEONPENIWHY-JTQLQIEISA-N 1 3 335.374 1.430 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000617507775 449658870 /nfs/dbraw/zinc/65/88/70/449658870.db2.gz IWYSEONPENIWHY-JTQLQIEISA-N 1 3 335.374 1.430 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000602573605 449681896 /nfs/dbraw/zinc/68/18/96/449681896.db2.gz SQDNBSGZKBGBFW-AWEZNQCLSA-N 1 3 329.510 1.170 20 0 EDADHO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCN(C)C1 ZINC000617551370 449682598 /nfs/dbraw/zinc/68/25/98/449682598.db2.gz PZEFUNXPSUFVBK-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO CN1CCN(CC2CN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000615273469 450038403 /nfs/dbraw/zinc/03/84/03/450038403.db2.gz SJZNDINIKUGLDW-IBGZPJMESA-N 1 3 344.503 1.385 20 0 EDADHO Cc1cn(CC(=O)N(CCN(C)C)CC[NH+](C)C)nc1C(F)(F)F ZINC000625286695 450273926 /nfs/dbraw/zinc/27/39/26/450273926.db2.gz KEQPRKNVTUXAEJ-UHFFFAOYSA-N 1 3 349.401 1.162 20 0 EDADHO CCOC(=O)[C@@](C)(O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613855219 450338761 /nfs/dbraw/zinc/33/87/61/450338761.db2.gz WIYDTJRTSKCHGX-SFHVURJKSA-N 1 3 326.481 1.889 20 0 EDADHO CN(CC[NH2+][C@@H]1CCN(C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467711 450526589 /nfs/dbraw/zinc/52/65/89/450526589.db2.gz UQJZSROSFULQIV-CYBMUJFWSA-N 1 3 345.534 1.831 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000623718753 450571453 /nfs/dbraw/zinc/57/14/53/450571453.db2.gz YZAHZTKNFJEAFB-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000623718753 450571455 /nfs/dbraw/zinc/57/14/55/450571455.db2.gz YZAHZTKNFJEAFB-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnc(C(C)(C)C)o1 ZINC000631443263 450593853 /nfs/dbraw/zinc/59/38/53/450593853.db2.gz MZPHQCKHECCKAT-LBPRGKRZSA-N 1 3 325.457 1.369 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnc(C(C)(C)C)o1 ZINC000631443263 450593855 /nfs/dbraw/zinc/59/38/55/450593855.db2.gz MZPHQCKHECCKAT-LBPRGKRZSA-N 1 3 325.457 1.369 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862307 450618296 /nfs/dbraw/zinc/61/82/96/450618296.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 1 3 327.436 1.105 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623862307 450618300 /nfs/dbraw/zinc/61/83/00/450618300.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 1 3 327.436 1.105 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627332590 450654460 /nfs/dbraw/zinc/65/44/60/450654460.db2.gz DOOCPYCSKTUPMY-OWCLPIDISA-N 1 3 338.496 1.014 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629419343 450664861 /nfs/dbraw/zinc/66/48/61/450664861.db2.gz PAUFWGSFNQOBTR-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000629419343 450664866 /nfs/dbraw/zinc/66/48/66/450664866.db2.gz PAUFWGSFNQOBTR-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000631813806 450793261 /nfs/dbraw/zinc/79/32/61/450793261.db2.gz ZMXZMIICCRUFSH-INIZCTEOSA-N 1 3 331.526 1.512 20 0 EDADHO CC[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000626934596 451016309 /nfs/dbraw/zinc/01/63/09/451016309.db2.gz JSYLMSVLJWMNNK-JCGIZDLHSA-N 1 3 330.476 1.873 20 0 EDADHO C[C@H](CNC(=O)NCC1([NH3+])CCOCC1)N(C)Cc1ccccc1 ZINC000626975100 451043943 /nfs/dbraw/zinc/04/39/43/451043943.db2.gz NSKWZQYKLBHUKA-OAHLLOKOSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CCN1Cc1ccccc1 ZINC000626994871 451060979 /nfs/dbraw/zinc/06/09/79/451060979.db2.gz KWFKTNKRGUAQKV-WMZOPIPTSA-N 1 3 348.491 1.656 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000627034109 451093036 /nfs/dbraw/zinc/09/30/36/451093036.db2.gz YMNSVJMEFZIHRV-RDJZCZTQSA-N 1 3 336.480 1.555 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628213351 451184712 /nfs/dbraw/zinc/18/47/12/451184712.db2.gz HRRGVPUNQHVTSF-INIZCTEOSA-N 1 3 327.476 1.993 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C[NH2+]1 ZINC000627210521 451189027 /nfs/dbraw/zinc/18/90/27/451189027.db2.gz RBWMSIIEBJKKCU-ZTFGCOKTSA-N 1 3 346.475 1.193 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238090 451203535 /nfs/dbraw/zinc/20/35/35/451203535.db2.gz AGWBWNVEIYJIGO-RYQLBKOJSA-N 1 3 345.491 1.828 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000638104351 451272448 /nfs/dbraw/zinc/27/24/48/451272448.db2.gz YJMRGHSRPWWURQ-HKUYNNGSSA-N 1 3 349.475 1.053 20 0 EDADHO CN1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137392 451311309 /nfs/dbraw/zinc/31/13/09/451311309.db2.gz JSKUKARMWCNEEZ-RTBURBONSA-N 1 3 342.487 1.529 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000638137939 451313786 /nfs/dbraw/zinc/31/37/86/451313786.db2.gz RBOVJVZFVDMKPX-SFHVURJKSA-N 1 3 346.519 1.699 20 0 EDADHO COc1cnccc1N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635883058 451329994 /nfs/dbraw/zinc/32/99/94/451329994.db2.gz UKSHHLLJGKZJPQ-UHFFFAOYSA-N 1 3 344.459 1.615 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000638211042 451356721 /nfs/dbraw/zinc/35/67/21/451356721.db2.gz OTXOQCAGMJBUHP-OCCSQVGLSA-N 1 3 331.338 1.870 20 0 EDADHO CO[C@H]1CN[C@](C)(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000638211042 451356723 /nfs/dbraw/zinc/35/67/23/451356723.db2.gz OTXOQCAGMJBUHP-OCCSQVGLSA-N 1 3 331.338 1.870 20 0 EDADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629658 451367356 /nfs/dbraw/zinc/36/73/56/451367356.db2.gz UVHNHSAHGAYBJN-BPQIPLTHSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629658 451367360 /nfs/dbraw/zinc/36/73/60/451367360.db2.gz UVHNHSAHGAYBJN-BPQIPLTHSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)c2cnn(CCN(C)C)c2)([NH+](C)C)C1 ZINC000630804627 451411998 /nfs/dbraw/zinc/41/19/98/451411998.db2.gz SWSILLHOOKFWJR-YJBOKZPZSA-N 1 3 335.496 1.685 20 0 EDADHO CN(CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346303 451449527 /nfs/dbraw/zinc/44/95/27/451449527.db2.gz HSBNHPQGAGIQAL-HOTGVXAUSA-N 1 3 325.497 1.709 20 0 EDADHO CO[C@@]1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCOC1 ZINC000638368260 451466105 /nfs/dbraw/zinc/46/61/05/451466105.db2.gz UJOXEMUFXAZOHM-LJQANCHMSA-N 1 3 333.476 1.329 20 0 EDADHO CO[C@@]1(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)CCOC1 ZINC000638386610 451479390 /nfs/dbraw/zinc/47/93/90/451479390.db2.gz OKKYXDNPDULGDM-HXUWFJFHSA-N 1 3 347.503 1.984 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000634706527 451484294 /nfs/dbraw/zinc/48/42/94/451484294.db2.gz RASJVHRAVILYGR-GOSISDBHSA-N 1 3 340.508 1.666 20 0 EDADHO Cc1ccc(C(=O)NCCNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638407611 451495482 /nfs/dbraw/zinc/49/54/82/451495482.db2.gz BXNXYJOHRXOKCZ-UHFFFAOYSA-N 1 3 333.476 1.550 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000638340826 451444913 /nfs/dbraw/zinc/44/49/13/451444913.db2.gz GHZGUMCEJHGLQG-QZTJIDSGSA-N 1 3 345.491 1.108 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H](N)c3ccccc3)CC2)C1 ZINC000638340826 451444920 /nfs/dbraw/zinc/44/49/20/451444920.db2.gz GHZGUMCEJHGLQG-QZTJIDSGSA-N 1 3 345.491 1.108 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638490295 451542717 /nfs/dbraw/zinc/54/27/17/451542717.db2.gz UQWRURJQAXPKBA-ROUUACIJSA-N 1 3 330.476 1.750 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638490295 451542721 /nfs/dbraw/zinc/54/27/21/451542721.db2.gz UQWRURJQAXPKBA-ROUUACIJSA-N 1 3 330.476 1.750 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000638525682 451558448 /nfs/dbraw/zinc/55/84/48/451558448.db2.gz BCGXKDVEOCIIMR-INIZCTEOSA-N 1 3 344.459 1.306 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)[C@]12CCCO2 ZINC000638588786 451592514 /nfs/dbraw/zinc/59/25/14/451592514.db2.gz NPTKZSKONWBCGN-QXCFHYIPSA-N 1 3 337.508 1.471 20 0 EDADHO C[N@H+](CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 ZINC000631156190 451614942 /nfs/dbraw/zinc/61/49/42/451614942.db2.gz WLHHRODKYJNYEP-UHFFFAOYSA-N 1 3 345.896 1.951 20 0 EDADHO C[N@@H+](CCCCNCc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 ZINC000631156190 451614943 /nfs/dbraw/zinc/61/49/43/451614943.db2.gz WLHHRODKYJNYEP-UHFFFAOYSA-N 1 3 345.896 1.951 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000638640379 451625453 /nfs/dbraw/zinc/62/54/53/451625453.db2.gz ARIUWKQVWVGDMV-MSOLQXFVSA-N 1 3 344.503 1.764 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672529 451643823 /nfs/dbraw/zinc/64/38/23/451643823.db2.gz VFUNDQCDAMETTO-OGWOLHLISA-N 1 3 345.443 1.640 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000636988485 451663592 /nfs/dbraw/zinc/66/35/92/451663592.db2.gz JYIHDXWNAKHCOW-NVXWUHKLSA-N 1 3 334.464 1.739 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000638727101 451667615 /nfs/dbraw/zinc/66/76/15/451667615.db2.gz DPVKDOFFAIXDMB-GOSISDBHSA-N 1 3 345.487 1.832 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NCCN2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000636473123 451726000 /nfs/dbraw/zinc/72/60/00/451726000.db2.gz RPWJIIJIKZYSOZ-ROUUACIJSA-N 1 3 348.491 1.218 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000638974529 451744364 /nfs/dbraw/zinc/74/43/64/451744364.db2.gz AABCDDRLRJCCBM-YZVOILCLSA-N 1 3 337.508 1.852 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639171817 451784185 /nfs/dbraw/zinc/78/41/85/451784185.db2.gz DHPZQNPGBOOSSU-RTBURBONSA-N 1 3 339.524 1.528 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639171817 451784187 /nfs/dbraw/zinc/78/41/87/451784187.db2.gz DHPZQNPGBOOSSU-RTBURBONSA-N 1 3 339.524 1.528 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@H]1CCCCN1CCO ZINC000637469932 451887279 /nfs/dbraw/zinc/88/72/79/451887279.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@H]1CCCCN1CCO ZINC000637469932 451887285 /nfs/dbraw/zinc/88/72/85/451887285.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 1 3 338.496 1.149 20 0 EDADHO OCCCOC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639514212 451917055 /nfs/dbraw/zinc/91/70/55/451917055.db2.gz COOMGPSSOOBSBQ-FQEVSTJZSA-N 1 3 348.487 1.487 20 0 EDADHO OCCCOC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639514212 451917059 /nfs/dbraw/zinc/91/70/59/451917059.db2.gz COOMGPSSOOBSBQ-FQEVSTJZSA-N 1 3 348.487 1.487 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646914958 451933630 /nfs/dbraw/zinc/93/36/30/451933630.db2.gz HAVJSBBHNQQXGH-IEBWSBKVSA-N 1 3 342.487 1.605 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646914958 451933635 /nfs/dbraw/zinc/93/36/35/451933635.db2.gz HAVJSBBHNQQXGH-IEBWSBKVSA-N 1 3 342.487 1.605 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000649276627 451947532 /nfs/dbraw/zinc/94/75/32/451947532.db2.gz SXDIRAHPXJSLMD-MRXNPFEDSA-N 1 3 346.475 1.695 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000649299375 451976928 /nfs/dbraw/zinc/97/69/28/451976928.db2.gz NVHLCJKETGLNIA-UHFFFAOYSA-N 1 3 335.448 1.982 20 0 EDADHO Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649312943 451991546 /nfs/dbraw/zinc/99/15/46/451991546.db2.gz NJPYCLGQKZZISC-GOSISDBHSA-N 1 3 348.516 1.515 20 0 EDADHO Cc1c(CN2CCSCC2)cccc1NC(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649312943 451991550 /nfs/dbraw/zinc/99/15/50/451991550.db2.gz NJPYCLGQKZZISC-GOSISDBHSA-N 1 3 348.516 1.515 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000649371072 452047264 /nfs/dbraw/zinc/04/72/64/452047264.db2.gz IOBIAPLMOQUXKC-SJORKVTESA-N 1 3 332.492 1.749 20 0 EDADHO C[NH+](C)CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000643216715 452076057 /nfs/dbraw/zinc/07/60/57/452076057.db2.gz WDWKSQPBPCLZRI-UHFFFAOYSA-N 1 3 328.526 1.599 20 0 EDADHO CN1CCN(Cc2cccc(-c3nc([C@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151425 452091299 /nfs/dbraw/zinc/09/12/99/452091299.db2.gz FXKZHZGEGDRQDZ-MRXNPFEDSA-N 1 3 327.432 1.909 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000643255267 452099666 /nfs/dbraw/zinc/09/96/66/452099666.db2.gz VUAWICADRQBHJX-UHFFFAOYSA-N 1 3 332.492 1.377 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000643255267 452099671 /nfs/dbraw/zinc/09/96/71/452099671.db2.gz VUAWICADRQBHJX-UHFFFAOYSA-N 1 3 332.492 1.377 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000639763250 452103964 /nfs/dbraw/zinc/10/39/64/452103964.db2.gz PIRDBRYOMXEKEV-FQEVSTJZSA-N 1 3 347.503 1.407 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000639763250 452103968 /nfs/dbraw/zinc/10/39/68/452103968.db2.gz PIRDBRYOMXEKEV-FQEVSTJZSA-N 1 3 347.503 1.407 20 0 EDADHO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000647293596 452169110 /nfs/dbraw/zinc/16/91/10/452169110.db2.gz RATDKYRGGZQDGX-KBPBESRZSA-N 1 3 329.441 1.069 20 0 EDADHO CC1CCN(CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645163181 452187869 /nfs/dbraw/zinc/18/78/69/452187869.db2.gz ZHFCQWWAYWBAKF-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645164340 452189703 /nfs/dbraw/zinc/18/97/03/452189703.db2.gz JLJUSQWULZKBCV-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO COC1CCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460495 452233329 /nfs/dbraw/zinc/23/33/29/452233329.db2.gz ROJZCLNINKMPRR-AZUAARDMSA-N 1 3 345.487 1.943 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(N)nc2)CC1 ZINC000647537780 452272443 /nfs/dbraw/zinc/27/24/43/452272443.db2.gz JHJQYPPCVIAVHX-UHFFFAOYSA-N 1 3 347.507 1.580 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000659444408 452292750 /nfs/dbraw/zinc/29/27/50/452292750.db2.gz HJDCTQOKEHFFBT-HNNXBMFYSA-N 1 3 348.491 1.814 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659444569 452293806 /nfs/dbraw/zinc/29/38/06/452293806.db2.gz KJUAEUGQSNGUQP-UHFFFAOYSA-N 1 3 332.448 1.178 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049007 452316765 /nfs/dbraw/zinc/31/67/65/452316765.db2.gz RKMHGXSKJQFMCG-RTBURBONSA-N 1 3 341.455 1.984 20 0 EDADHO CCC[C@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761348 452336986 /nfs/dbraw/zinc/33/69/86/452336986.db2.gz AEVPYOCZGWEUBM-FUHWJXTLSA-N 1 3 342.528 1.595 20 0 EDADHO CCC[C@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761348 452336994 /nfs/dbraw/zinc/33/69/94/452336994.db2.gz AEVPYOCZGWEUBM-FUHWJXTLSA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@H]1CCO ZINC000665762842 452339542 /nfs/dbraw/zinc/33/95/42/452339542.db2.gz RNWSHXSPQSFWHW-IRXDYDNUSA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCCC[C@H]1CCO ZINC000665762842 452339548 /nfs/dbraw/zinc/33/95/48/452339548.db2.gz RNWSHXSPQSFWHW-IRXDYDNUSA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000665763755 452347429 /nfs/dbraw/zinc/34/74/29/452347429.db2.gz LABVRPVOXYNVBL-XHSDSOJGSA-N 1 3 340.512 1.325 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000665763755 452347433 /nfs/dbraw/zinc/34/74/33/452347433.db2.gz LABVRPVOXYNVBL-XHSDSOJGSA-N 1 3 340.512 1.325 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000638070803 452377891 /nfs/dbraw/zinc/37/78/91/452377891.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 1 3 332.492 1.246 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000638070803 452377903 /nfs/dbraw/zinc/37/79/03/452377903.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 1 3 332.492 1.246 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659534480 452393886 /nfs/dbraw/zinc/39/38/86/452393886.db2.gz AJWLAXTZIAFUND-MSOLQXFVSA-N 1 3 345.491 1.863 20 0 EDADHO CN1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000645434676 452405458 /nfs/dbraw/zinc/40/54/58/452405458.db2.gz QWZPTCAQWIUOQM-GOSISDBHSA-N 1 3 344.503 1.753 20 0 EDADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659554382 452411101 /nfs/dbraw/zinc/41/11/01/452411101.db2.gz MQZHWIZLCCLWES-MSOLQXFVSA-N 1 3 345.491 1.720 20 0 EDADHO O=C(CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095720 452419047 /nfs/dbraw/zinc/41/90/47/452419047.db2.gz PYUYQPBMAOJAIF-SQNIBIBYSA-N 1 3 335.492 1.355 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000659567928 452423083 /nfs/dbraw/zinc/42/30/83/452423083.db2.gz BLZNNUWMPFHPIG-ZOBUZTSGSA-N 1 3 338.496 1.269 20 0 EDADHO [NH3+][C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567871 452424229 /nfs/dbraw/zinc/42/42/29/452424229.db2.gz ZMWREKVEIWSYQX-QGZVFWFLSA-N 1 3 331.464 1.426 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CCCC3)CC2)CC1 ZINC000654407185 452457657 /nfs/dbraw/zinc/45/76/57/452457657.db2.gz HZWRVYWBJSSDFX-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000659633021 452497357 /nfs/dbraw/zinc/49/73/57/452497357.db2.gz AHWHXYWAYGWYEW-QFBILLFUSA-N 1 3 330.476 1.902 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000659646100 452507992 /nfs/dbraw/zinc/50/79/92/452507992.db2.gz LEPWELIEWGRKLW-GFCCVEGCSA-N 1 3 328.407 1.646 20 0 EDADHO CCNC(=O)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655691845 452512875 /nfs/dbraw/zinc/51/28/75/452512875.db2.gz XQRWVBJHVMHLSE-SFHVURJKSA-N 1 3 331.460 1.779 20 0 EDADHO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345475 452520802 /nfs/dbraw/zinc/52/08/02/452520802.db2.gz CKMALHVSCJAZFT-IPMKNSEASA-N 1 3 345.487 1.863 20 0 EDADHO CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788483 452522387 /nfs/dbraw/zinc/52/23/87/452522387.db2.gz KDSGOWGICWYCQK-VNQPRFMTSA-N 1 3 337.489 1.415 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346918 452523118 /nfs/dbraw/zinc/52/31/18/452523118.db2.gz LJRYJSLRHVRYKW-LJIGWXMPSA-N 1 3 325.497 1.898 20 0 EDADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347410 452523874 /nfs/dbraw/zinc/52/38/74/452523874.db2.gz AHTXTUBZFCVOGZ-WMEZAQDKSA-N 1 3 349.519 1.994 20 0 EDADHO C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000663849527 452575417 /nfs/dbraw/zinc/57/54/17/452575417.db2.gz SEXQVRGYQKOMNH-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO COCCOc1cc2c(cc1CNC[C@H]1C[C@@H]([NH+](C)C)C1)OCO2 ZINC000655826953 452600022 /nfs/dbraw/zinc/60/00/22/452600022.db2.gz JPBIIBUMOSFWEA-OTVXOJSOSA-N 1 3 336.432 1.870 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000655830402 452602199 /nfs/dbraw/zinc/60/21/99/452602199.db2.gz WQJFIXXTNXTQKN-GDBMZVCRSA-N 1 3 343.475 1.964 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)Cc1ccccc1 ZINC000655916734 452677226 /nfs/dbraw/zinc/67/72/26/452677226.db2.gz HKAAEWREMXLEOA-AAEUAGOBSA-N 1 3 332.370 1.696 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652677950 452827116 /nfs/dbraw/zinc/82/71/16/452827116.db2.gz MLTLLHQVUNTEOK-OAHLLOKOSA-N 1 3 338.496 1.002 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000648169769 452879960 /nfs/dbraw/zinc/87/99/60/452879960.db2.gz UARKYHXGKCZBEA-XWTMOSNGSA-N 1 3 329.444 1.414 20 0 EDADHO O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)NC1CCN(C2CC2)CC1 ZINC000662293352 453017087 /nfs/dbraw/zinc/01/70/87/453017087.db2.gz QVGVQWVAVWWZPW-QGZVFWFLSA-N 1 3 348.535 1.441 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000644166065 453096665 /nfs/dbraw/zinc/09/66/65/453096665.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000644166065 453096673 /nfs/dbraw/zinc/09/66/73/453096673.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 1 3 338.496 1.100 20 0 EDADHO N[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414031 453123071 /nfs/dbraw/zinc/12/30/71/453123071.db2.gz TYDYAHXTJMZNLX-LSDHHAIUSA-N 1 3 328.420 1.023 20 0 EDADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434402 453142663 /nfs/dbraw/zinc/14/26/63/453142663.db2.gz BBGWDKMOMFOSBT-ZBFHGGJFSA-N 1 3 332.448 1.320 20 0 EDADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434402 453142668 /nfs/dbraw/zinc/14/26/68/453142668.db2.gz BBGWDKMOMFOSBT-ZBFHGGJFSA-N 1 3 332.448 1.320 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804538 453157692 /nfs/dbraw/zinc/15/76/92/453157692.db2.gz RTPNHENSYSUSON-QGZVFWFLSA-N 1 3 346.475 1.855 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCO)CC(F)F)CC2)CC1 ZINC000655043910 453162566 /nfs/dbraw/zinc/16/25/66/453162566.db2.gz PCSTWIDBKMVLAY-UHFFFAOYSA-N 1 3 347.450 1.269 20 0 EDADHO Clc1ccccc1Cn1cc(CNCCN2CC[NH2+]CC2)cn1 ZINC000666814955 453164089 /nfs/dbraw/zinc/16/40/89/453164089.db2.gz WLMYUWQADBCGRJ-UHFFFAOYSA-N 1 3 333.867 1.580 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCn4nccc43)CC2)CC1 ZINC000655065879 453187663 /nfs/dbraw/zinc/18/76/63/453187663.db2.gz MLVWMZDMZNIWEJ-UHFFFAOYSA-N 1 3 331.464 1.426 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)c2cc3c(s2)CCNC3)CCSC1 ZINC000662489970 453206919 /nfs/dbraw/zinc/20/69/19/453206919.db2.gz YLOAYVYSCSRIQW-OAHLLOKOSA-N 1 3 325.503 1.561 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666973710 453289519 /nfs/dbraw/zinc/28/95/19/453289519.db2.gz YTABWIVNFFZXHE-IRXDYDNUSA-N 1 3 338.496 1.412 20 0 EDADHO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)C1 ZINC000662576514 453302907 /nfs/dbraw/zinc/30/29/07/453302907.db2.gz VOYVJHIEFNXQBV-GJZGRUSLSA-N 1 3 349.500 1.752 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc4c(s3)CCNC4)C2)C1 ZINC000662583820 453312312 /nfs/dbraw/zinc/31/23/12/453312312.db2.gz WTDBTCYCAKZIIR-YUELXQCFSA-N 1 3 349.500 1.752 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H](N)CC[NH+](C)C)c2)CC1 ZINC000653156284 453346093 /nfs/dbraw/zinc/34/60/93/453346093.db2.gz XBALYKVFBKXJKM-GOSISDBHSA-N 1 3 347.507 1.435 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638492 453353631 /nfs/dbraw/zinc/35/36/31/453353631.db2.gz RLCBHMZZJGRDDR-ZWKOTPCHSA-N 1 3 330.476 1.798 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000662679430 453398824 /nfs/dbraw/zinc/39/88/24/453398824.db2.gz OQPUCKXJTKIGSQ-UHFFFAOYSA-N 1 3 342.487 1.539 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667095344 453401116 /nfs/dbraw/zinc/40/11/16/453401116.db2.gz BGAYGSNJFZWZME-INIZCTEOSA-N 1 3 330.432 1.217 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@]3(C)CC3(F)F)CC2)CC1 ZINC000660575494 453415078 /nfs/dbraw/zinc/41/50/78/453415078.db2.gz WAKJYULCGQMOLW-INIZCTEOSA-N 1 3 344.450 1.890 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469680 453415530 /nfs/dbraw/zinc/41/55/30/453415530.db2.gz LIVMUSRDMFUXSX-WFEUEMSSSA-N 1 3 335.492 1.652 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662716147 453440364 /nfs/dbraw/zinc/44/03/64/453440364.db2.gz AIAHOJIWTNIIJY-QGZVFWFLSA-N 1 3 333.476 1.674 20 0 EDADHO Cc1ncc2n1C[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000651333918 453479132 /nfs/dbraw/zinc/47/91/32/453479132.db2.gz AYLSTJRHBMUQLN-KRWDZBQOSA-N 1 3 347.507 1.144 20 0 EDADHO CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662754582 453491886 /nfs/dbraw/zinc/49/18/86/453491886.db2.gz RIPVFFPLJVZJPA-GOSISDBHSA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCCC1 ZINC000662785431 453518970 /nfs/dbraw/zinc/51/89/70/453518970.db2.gz HXVLQURBZGKOTO-MRXNPFEDSA-N 1 3 348.495 1.539 20 0 EDADHO Cc1ncsc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664998385 453538659 /nfs/dbraw/zinc/53/86/59/453538659.db2.gz DMJHTCOCHKJSNA-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO Cc1ncsc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664998385 453538662 /nfs/dbraw/zinc/53/86/62/453538662.db2.gz DMJHTCOCHKJSNA-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858713 453573608 /nfs/dbraw/zinc/57/36/08/453573608.db2.gz HQGGEOJWQNLDLB-MSOLQXFVSA-N 1 3 345.487 1.648 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861124 453576305 /nfs/dbraw/zinc/57/63/05/453576305.db2.gz XOIFJJFNDDXRTI-WBAXXEDZSA-N 1 3 333.476 1.489 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@@H](C)[NH3+] ZINC000662861120 453577043 /nfs/dbraw/zinc/57/70/43/453577043.db2.gz XOIFJJFNDDXRTI-OLMNPRSZSA-N 1 3 333.476 1.489 20 0 EDADHO CO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C12CCC2 ZINC000665118987 453581512 /nfs/dbraw/zinc/58/15/12/453581512.db2.gz KERSEMQGYAAMTM-HRCADAONSA-N 1 3 340.512 1.515 20 0 EDADHO CO[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C12CCC2 ZINC000665118987 453581514 /nfs/dbraw/zinc/58/15/14/453581514.db2.gz KERSEMQGYAAMTM-HRCADAONSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccc(Br)cn1 ZINC000665237072 453618979 /nfs/dbraw/zinc/61/89/79/453618979.db2.gz ZMTUXUYDKVTAFT-UWVGGRQHSA-N 1 3 329.242 1.289 20 0 EDADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663453027 453802302 /nfs/dbraw/zinc/80/23/02/453802302.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663453027 453802304 /nfs/dbraw/zinc/80/23/04/453802304.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)N1 ZINC000663467936 453804070 /nfs/dbraw/zinc/80/40/70/453804070.db2.gz IPHNNPBVLUCZMT-SYJJWHGVSA-N 1 3 334.464 1.219 20 0 EDADHO CCc1cnc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000524788505 486653136 /nfs/dbraw/zinc/65/31/36/486653136.db2.gz XJFDQXLILXMDBZ-UHFFFAOYSA-N 1 3 341.525 1.383 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000384940344 486688066 /nfs/dbraw/zinc/68/80/66/486688066.db2.gz CKEAFYNRJALPBS-RTBURBONSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726549 486732445 /nfs/dbraw/zinc/73/24/45/486732445.db2.gz ROOIWZIHLAKCDQ-CQSZACIVSA-N 1 3 340.489 1.682 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415638774 486759233 /nfs/dbraw/zinc/75/92/33/486759233.db2.gz BZHFYKNCVXTFQL-DOTOQJQBSA-N 1 3 346.475 1.853 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417815227 486814777 /nfs/dbraw/zinc/81/47/77/486814777.db2.gz SRIMKNYLRKFYTG-GOEBONIOSA-N 1 3 326.485 1.445 20 0 EDADHO CO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000667642101 486895091 /nfs/dbraw/zinc/89/50/91/486895091.db2.gz OMECPUXYLLZJIE-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640688 487074603 /nfs/dbraw/zinc/07/46/03/487074603.db2.gz JTFKPAFEXKCTTQ-WSTZPKSXSA-N 1 3 343.471 1.366 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640688 487074607 /nfs/dbraw/zinc/07/46/07/487074607.db2.gz JTFKPAFEXKCTTQ-WSTZPKSXSA-N 1 3 343.471 1.366 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000673775900 487110725 /nfs/dbraw/zinc/11/07/25/487110725.db2.gz FIEXCFYVJXOJSK-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000674329383 487238240 /nfs/dbraw/zinc/23/82/40/487238240.db2.gz XPUGLNFFMCSVNS-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561088 485568986 /nfs/dbraw/zinc/56/89/86/485568986.db2.gz FYXVOBNSWSRUDW-ATLSCFEFSA-N 1 3 346.475 1.265 20 0 EDADHO Cc1ccc2nc(CN[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cn2c1 ZINC000671190495 485887768 /nfs/dbraw/zinc/88/77/68/485887768.db2.gz CYYVPKCAWBMUJP-MRXNPFEDSA-N 1 3 327.476 1.901 20 0 EDADHO [NH3+]C/C=C\CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000669349087 485997957 /nfs/dbraw/zinc/99/79/57/485997957.db2.gz DGUVMMOJBASEIF-PLNGDYQASA-N 1 3 345.491 1.008 20 0 EDADHO CN(CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000167703409 486482159 /nfs/dbraw/zinc/48/21/59/486482159.db2.gz DZOZMFJFCMXMFW-UHFFFAOYSA-N 1 3 344.503 1.534 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1CNCCO1 ZINC000164323348 528155347 /nfs/dbraw/zinc/15/53/47/528155347.db2.gz AICUFDHSMODTFK-OAHLLOKOSA-N 1 3 335.448 1.724 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173949940 529201456 /nfs/dbraw/zinc/20/14/56/529201456.db2.gz CBUAVPZJMYWNLO-HNNXBMFYSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173949940 529201457 /nfs/dbraw/zinc/20/14/57/529201457.db2.gz CBUAVPZJMYWNLO-HNNXBMFYSA-N 1 3 336.484 1.831 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN(CCO)CCOC)CC1 ZINC000093005833 534935654 /nfs/dbraw/zinc/93/56/54/534935654.db2.gz IJMHUUAMVWIEQE-UHFFFAOYSA-N 1 3 335.492 1.659 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000333458021 535330308 /nfs/dbraw/zinc/33/03/08/535330308.db2.gz YPQYHZMMOLAYIW-USXIJHARSA-N 1 3 338.496 1.255 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000236917244 535604461 /nfs/dbraw/zinc/60/44/61/535604461.db2.gz YKDYRZUHHQLLSP-GOSISDBHSA-N 1 3 333.476 1.913 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339746143 535715571 /nfs/dbraw/zinc/71/55/71/535715571.db2.gz YHWZZROIYPJNQN-UHFFFAOYSA-N 1 3 348.491 1.165 20 0 EDADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000097257367 536788097 /nfs/dbraw/zinc/78/80/97/536788097.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000097257367 536788104 /nfs/dbraw/zinc/78/81/04/536788104.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO C[C@H]1CN(CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551516 580059141 /nfs/dbraw/zinc/05/91/41/580059141.db2.gz RAOCAGXMKORVBM-HNNXBMFYSA-N 1 3 342.553 1.293 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)on1 ZINC000750735145 579778928 /nfs/dbraw/zinc/77/89/28/579778928.db2.gz UCQZGPUDBSEPTB-OAHLLOKOSA-N 1 3 338.452 1.236 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1cc(C)on1 ZINC000750735145 579778930 /nfs/dbraw/zinc/77/89/30/579778930.db2.gz UCQZGPUDBSEPTB-OAHLLOKOSA-N 1 3 338.452 1.236 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(Br)nn1C ZINC000785483651 580645444 /nfs/dbraw/zinc/64/54/44/580645444.db2.gz AEIMFMZMMOSMCU-LBPRGKRZSA-N 1 3 333.274 1.629 20 0 EDADHO C[NH+](C)CCCNC(=S)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000794992153 580910214 /nfs/dbraw/zinc/91/02/14/580910214.db2.gz VVUCRNYNXRNGKQ-QGZVFWFLSA-N 1 3 334.533 1.924 20 0 EDADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1Cc2ccccc2CN1 ZINC000892086422 590790549 /nfs/dbraw/zinc/79/05/49/590790549.db2.gz LMCXBTISCSCLCL-LJQANCHMSA-N 1 3 336.439 1.804 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150697 590823359 /nfs/dbraw/zinc/82/33/59/590823359.db2.gz KQWOBCNBYIPCLO-LSDHHAIUSA-N 1 3 340.418 1.851 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000890879809 590828950 /nfs/dbraw/zinc/82/89/50/590828950.db2.gz GEUXOYGBQVAZCD-UHFFFAOYSA-N 1 3 340.556 1.839 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC[C@H]3C3CC3)CC2)CC1 ZINC000891037391 590924182 /nfs/dbraw/zinc/92/41/82/590924182.db2.gz CPQPBJKZUNHZLE-RBUKOAKNSA-N 1 3 349.519 1.724 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CCN1C ZINC000892343937 590972160 /nfs/dbraw/zinc/97/21/60/590972160.db2.gz XJACEELBZKELBE-YOEHRIQHSA-N 1 3 330.476 1.956 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000892490149 591046420 /nfs/dbraw/zinc/04/64/20/591046420.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 1 3 330.476 1.984 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000892490149 591046423 /nfs/dbraw/zinc/04/64/23/591046423.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891339446 591049492 /nfs/dbraw/zinc/04/94/92/591049492.db2.gz ATBWOLGKHPSEEY-INIZCTEOSA-N 1 3 339.528 1.090 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000892530508 591059979 /nfs/dbraw/zinc/05/99/79/591059979.db2.gz PXIDVNCHCFUQFE-SFHVURJKSA-N 1 3 348.491 1.447 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000892530196 591061486 /nfs/dbraw/zinc/06/14/86/591061486.db2.gz KOXOHADEDXZSOK-ZWKOTPCHSA-N 1 3 330.476 1.963 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000893743641 591072792 /nfs/dbraw/zinc/07/27/92/591072792.db2.gz QRZZERNVBZFELF-PVAVHDDUSA-N 1 3 338.496 1.005 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892577262 591078694 /nfs/dbraw/zinc/07/86/94/591078694.db2.gz QKRPQBYRWCRKAY-UHFFFAOYSA-N 1 3 335.517 1.435 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584930 591082572 /nfs/dbraw/zinc/08/25/72/591082572.db2.gz RMPMFABOCWSGEB-WCXIOVBPSA-N 1 3 343.475 1.832 20 0 EDADHO CC(C)[NH+](CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C(C)C ZINC000891477292 591084991 /nfs/dbraw/zinc/08/49/91/591084991.db2.gz GSHRQYICBQNYHV-DLBZAZTESA-N 1 3 340.512 1.346 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892789225 591179350 /nfs/dbraw/zinc/17/93/50/591179350.db2.gz MFCRWQYEHUZUQH-MJGOQNOKSA-N 1 3 328.460 1.486 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](N2CC=CC2)C1 ZINC000892805617 591187854 /nfs/dbraw/zinc/18/78/54/591187854.db2.gz UVPSRLLQHGZIMN-QZTJIDSGSA-N 1 3 326.444 1.357 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892810284 591189129 /nfs/dbraw/zinc/18/91/29/591189129.db2.gz JRHYZZNIAYOXBW-ROUUACIJSA-N 1 3 328.460 1.581 20 0 EDADHO CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000891799255 591227569 /nfs/dbraw/zinc/22/75/69/591227569.db2.gz PNOKZJRRTZIGMW-RYQLBKOJSA-N 1 3 330.476 1.900 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C1CN(C2CCOCC2)C1)C(C)(C)C ZINC000896409277 591457028 /nfs/dbraw/zinc/45/70/28/591457028.db2.gz KKBNVFZJVZUKBW-INIZCTEOSA-N 1 3 325.497 1.580 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897208782 591768799 /nfs/dbraw/zinc/76/87/99/591768799.db2.gz DNNJMNXYGXPLOY-JKSUJKDBSA-N 1 3 326.485 1.079 20 0 EDADHO C[NH+](C)CCOc1cccc(-c2cnc(N3CCNCC3)cn2)c1 ZINC000899323099 591774879 /nfs/dbraw/zinc/77/48/79/591774879.db2.gz NGNIMKSMLPTFIR-UHFFFAOYSA-N 1 3 327.432 1.494 20 0 EDADHO CN(C)CCOc1cccc(-c2cnc(N3CC[NH2+]CC3)cn2)c1 ZINC000899323099 591774880 /nfs/dbraw/zinc/77/48/80/591774880.db2.gz NGNIMKSMLPTFIR-UHFFFAOYSA-N 1 3 327.432 1.494 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000902461231 592000155 /nfs/dbraw/zinc/00/01/55/592000155.db2.gz MUDIRRVMQHMTDM-SCLBCKFNSA-N 1 3 329.448 1.939 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522819 592010443 /nfs/dbraw/zinc/01/04/43/592010443.db2.gz YLEDCKZWZNTNAO-TUAOUCFPSA-N 1 3 325.844 1.521 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900416677 592013305 /nfs/dbraw/zinc/01/33/05/592013305.db2.gz CHXAYEYYWKYHHX-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900416677 592013307 /nfs/dbraw/zinc/01/33/07/592013307.db2.gz CHXAYEYYWKYHHX-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CNc1ccc(C)cc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000902596146 592016556 /nfs/dbraw/zinc/01/65/56/592016556.db2.gz MEEJWEICLONVNM-UHFFFAOYSA-N 1 3 346.519 1.923 20 0 EDADHO CN(Cc1ccccc1)C(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807963 592064005 /nfs/dbraw/zinc/06/40/05/592064005.db2.gz YGDHNQLGZXEKGX-JKSUJKDBSA-N 1 3 346.431 1.007 20 0 EDADHO CN(Cc1ccccc1)C(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807963 592064007 /nfs/dbraw/zinc/06/40/07/592064007.db2.gz YGDHNQLGZXEKGX-JKSUJKDBSA-N 1 3 346.431 1.007 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000900708284 592101121 /nfs/dbraw/zinc/10/11/21/592101121.db2.gz IDQDGNZOEMABPK-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000900708284 592101122 /nfs/dbraw/zinc/10/11/22/592101122.db2.gz IDQDGNZOEMABPK-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000903431135 592168396 /nfs/dbraw/zinc/16/83/96/592168396.db2.gz OSVGMYFNBKEYHW-GOEBONIOSA-N 1 3 335.423 1.476 20 0 EDADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432650 592168841 /nfs/dbraw/zinc/16/88/41/592168841.db2.gz ITQKIQPQEHQIBA-CABCVRRESA-N 1 3 340.489 1.918 20 0 EDADHO CCc1ccccc1NC(=O)CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441089 592169792 /nfs/dbraw/zinc/16/97/92/592169792.db2.gz JJTWKSXVTCKEBL-AEFFLSMTSA-N 1 3 344.503 1.933 20 0 EDADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511064 592190481 /nfs/dbraw/zinc/19/04/81/592190481.db2.gz NBBLPSQPIQHGMM-PBWTXFEYSA-N 1 3 348.535 1.677 20 0 EDADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511064 592190482 /nfs/dbraw/zinc/19/04/82/592190482.db2.gz NBBLPSQPIQHGMM-PBWTXFEYSA-N 1 3 348.535 1.677 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000901025815 592203155 /nfs/dbraw/zinc/20/31/55/592203155.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000901025815 592203157 /nfs/dbraw/zinc/20/31/57/592203157.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 1 3 345.487 1.612 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906652125 592235874 /nfs/dbraw/zinc/23/58/74/592235874.db2.gz XSOJYINWTKGZSE-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000906679493 592259987 /nfs/dbraw/zinc/25/99/87/592259987.db2.gz SVHJZZIWIQZRJZ-UHFFFAOYSA-N 1 3 344.459 1.322 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000904511112 592274716 /nfs/dbraw/zinc/27/47/16/592274716.db2.gz VNCWXZXJDSBJTE-QZTJIDSGSA-N 1 3 346.475 1.859 20 0 EDADHO O=C(CC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)NC1CCCC1 ZINC000903725355 592284724 /nfs/dbraw/zinc/28/47/24/592284724.db2.gz BFVAVXXYNURBQK-UYAOXDASSA-N 1 3 349.519 1.916 20 0 EDADHO Cn1cc(C(=O)NCC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903727615 592286253 /nfs/dbraw/zinc/28/62/53/592286253.db2.gz VZEAVXAZQYMRPQ-INIZCTEOSA-N 1 3 333.480 1.252 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000904599432 592292341 /nfs/dbraw/zinc/29/23/41/592292341.db2.gz ZFMDJDYQBVOSFH-MRXNPFEDSA-N 1 3 334.464 1.849 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCOC1CCSCC1 ZINC000903745865 592293382 /nfs/dbraw/zinc/29/33/82/592293382.db2.gz AQEOLPDJQLTTSR-CQSZACIVSA-N 1 3 329.510 1.218 20 0 EDADHO C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@@H]1CN1CCOCC1 ZINC000903735873 592299311 /nfs/dbraw/zinc/29/93/11/592299311.db2.gz DVKGXFMGZHHEPT-QZTJIDSGSA-N 1 3 337.508 1.332 20 0 EDADHO CC(C)C[C@H]([NH3+])Cc1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000904629005 592299913 /nfs/dbraw/zinc/29/99/13/592299913.db2.gz ZEFGKMKUMCFKQB-AWEZNQCLSA-N 1 3 333.436 1.988 20 0 EDADHO CCC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755414 592313987 /nfs/dbraw/zinc/31/39/87/592313987.db2.gz GTZVNZJGTYXGKY-ROUUACIJSA-N 1 3 339.524 1.578 20 0 EDADHO COC(=O)CCN1CCC[C@@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790787 592315939 /nfs/dbraw/zinc/31/59/39/592315939.db2.gz AOQJDSMIAFNOMC-OAHLLOKOSA-N 1 3 339.480 1.237 20 0 EDADHO NCc1cn([C@H]2CC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC000903778604 592319623 /nfs/dbraw/zinc/31/96/23/592319623.db2.gz OZOPWJITIQQTNI-LBPRGKRZSA-N 1 3 339.802 1.855 20 0 EDADHO NCc1cn([C@H]2CC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC000903778604 592319627 /nfs/dbraw/zinc/31/96/27/592319627.db2.gz OZOPWJITIQQTNI-LBPRGKRZSA-N 1 3 339.802 1.855 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000901300297 592321206 /nfs/dbraw/zinc/32/12/06/592321206.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 1 3 336.524 1.489 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC3(CCC[N@H+]3C)CC2)CC1 ZINC000901300297 592321212 /nfs/dbraw/zinc/32/12/12/592321212.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 1 3 336.524 1.489 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)S(=O)(=O)C1CCC(=O)CC1 ZINC000906797300 592348762 /nfs/dbraw/zinc/34/87/62/592348762.db2.gz JALGISOSELBDRR-UHFFFAOYSA-N 1 3 347.525 1.033 20 0 EDADHO CCCCNC(=O)[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888867 592350852 /nfs/dbraw/zinc/35/08/52/592350852.db2.gz LYQAHYQKKUSWIC-IRXDYDNUSA-N 1 3 349.523 1.474 20 0 EDADHO CCCNC(=O)[C@@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889645 592351768 /nfs/dbraw/zinc/35/17/68/592351768.db2.gz UUGZWUGSMRFVOT-JKSUJKDBSA-N 1 3 335.496 1.084 20 0 EDADHO COCCO[C@@H]1C[C@H](CO)CN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915750 592388573 /nfs/dbraw/zinc/38/85/73/592388573.db2.gz PVVVTVPISHNZSI-MAUKXSAKSA-N 1 3 334.460 1.178 20 0 EDADHO COc1c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(C)nn1C ZINC000903980609 592401454 /nfs/dbraw/zinc/40/14/54/592401454.db2.gz VSWNDVQRZMLVQD-IYBDPMFKSA-N 1 3 333.480 1.138 20 0 EDADHO COc1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(C)nn1C ZINC000903980609 592401457 /nfs/dbraw/zinc/40/14/57/592401457.db2.gz VSWNDVQRZMLVQD-IYBDPMFKSA-N 1 3 333.480 1.138 20 0 EDADHO COc1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(C)nn1C ZINC000903980609 592401462 /nfs/dbraw/zinc/40/14/62/592401462.db2.gz VSWNDVQRZMLVQD-IYBDPMFKSA-N 1 3 333.480 1.138 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098494 592404593 /nfs/dbraw/zinc/40/45/93/592404593.db2.gz SWBPVCLQJLLHFO-OALUTQOASA-N 1 3 332.488 1.807 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC[NH2+]1 ZINC000903988594 592407007 /nfs/dbraw/zinc/40/70/07/592407007.db2.gz SZDJQPLSCKJQCY-UONOGXRCSA-N 1 3 329.448 1.779 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCN1CCN(C(C)C)CC1 ZINC000908259052 592409800 /nfs/dbraw/zinc/40/98/00/592409800.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 1 3 326.529 1.639 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCN1CCN(C(C)C)CC1 ZINC000908259052 592409801 /nfs/dbraw/zinc/40/98/01/592409801.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 1 3 326.529 1.639 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433445 /nfs/dbraw/zinc/43/34/45/592433445.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 1 3 336.524 1.203 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433447 /nfs/dbraw/zinc/43/34/47/592433447.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 1 3 336.524 1.203 20 0 EDADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000905197026 592447930 /nfs/dbraw/zinc/44/79/30/592447930.db2.gz TVGIMKKWEUFFQL-GOSISDBHSA-N 1 3 333.476 1.944 20 0 EDADHO CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc1 ZINC000905700778 592614809 /nfs/dbraw/zinc/61/48/09/592614809.db2.gz RFYAQCXOKKJWCI-CALCHBBNSA-N 1 3 343.475 1.236 20 0 EDADHO CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc1 ZINC000905700778 592614811 /nfs/dbraw/zinc/61/48/11/592614811.db2.gz RFYAQCXOKKJWCI-CALCHBBNSA-N 1 3 343.475 1.236 20 0 EDADHO CC(C)NCc1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000905787482 592649264 /nfs/dbraw/zinc/64/92/64/592649264.db2.gz LOPJRJPVZPYQOA-QGZVFWFLSA-N 1 3 344.463 1.195 20 0 EDADHO CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000906093094 592740243 /nfs/dbraw/zinc/74/02/43/592740243.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 1 3 344.503 1.261 20 0 EDADHO CN1CC[N@@H+](C)CC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000906093094 592740247 /nfs/dbraw/zinc/74/02/47/592740247.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 1 3 344.503 1.261 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000907755367 592778827 /nfs/dbraw/zinc/77/88/27/592778827.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000907755367 592778830 /nfs/dbraw/zinc/77/88/30/592778830.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)c2ccn(CCC[NH3+])n2)cc1 ZINC000911766214 593000634 /nfs/dbraw/zinc/00/06/34/593000634.db2.gz ZHISQKJHOVUGEU-MRXNPFEDSA-N 1 3 329.448 1.785 20 0 EDADHO C[C@H]1CN(C(=O)CCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000911823385 593017171 /nfs/dbraw/zinc/01/71/71/593017171.db2.gz YKPAMUUMMNODER-MAUKXSAKSA-N 1 3 333.476 1.755 20 0 EDADHO Cc1ccccc1-n1cc(CNCCCN2CCC[N@@H+](C)CC2)nn1 ZINC000808387656 593256428 /nfs/dbraw/zinc/25/64/28/593256428.db2.gz XLRWBVFSJOOLJP-UHFFFAOYSA-N 1 3 342.491 1.693 20 0 EDADHO Cc1ccccc1-n1cc(CNCCCN2CCC[N@H+](C)CC2)nn1 ZINC000808387656 593256429 /nfs/dbraw/zinc/25/64/29/593256429.db2.gz XLRWBVFSJOOLJP-UHFFFAOYSA-N 1 3 342.491 1.693 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811875061 593485019 /nfs/dbraw/zinc/48/50/19/593485019.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000811875061 593485020 /nfs/dbraw/zinc/48/50/20/593485020.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 1 3 326.485 1.269 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819004288 593733444 /nfs/dbraw/zinc/73/34/44/593733444.db2.gz MTTRYKOIYQVPGK-HOCLYGCPSA-N 1 3 339.867 1.550 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819011310 593733887 /nfs/dbraw/zinc/73/38/87/593733887.db2.gz OQWKKMWIOBOCRH-GOSISDBHSA-N 1 3 333.407 1.984 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819059122 593736337 /nfs/dbraw/zinc/73/63/37/593736337.db2.gz VKNHHUQYWMKOLV-YOEHRIQHSA-N 1 3 341.446 1.861 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819390856 593753222 /nfs/dbraw/zinc/75/32/22/593753222.db2.gz UIOTXDOKJZEEQV-KRWDZBQOSA-N 1 3 325.884 1.989 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000820080788 593789438 /nfs/dbraw/zinc/78/94/38/593789438.db2.gz LCNQVMPKTNJRRZ-DLBZAZTESA-N 1 3 347.507 1.853 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000820080788 593789439 /nfs/dbraw/zinc/78/94/39/593789439.db2.gz LCNQVMPKTNJRRZ-DLBZAZTESA-N 1 3 347.507 1.853 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000820087547 593789911 /nfs/dbraw/zinc/78/99/11/593789911.db2.gz XQMSMPSFKNZKIA-WBAXXEDZSA-N 1 3 348.491 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](O)c2ccccc21 ZINC000820087547 593789912 /nfs/dbraw/zinc/78/99/12/593789912.db2.gz XQMSMPSFKNZKIA-WBAXXEDZSA-N 1 3 348.491 1.736 20 0 EDADHO COc1c(F)nccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824820168 594079783 /nfs/dbraw/zinc/07/97/83/594079783.db2.gz VDBSQWRCYBWRDD-LBPRGKRZSA-N 1 3 326.416 1.231 20 0 EDADHO COc1c(F)nccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824820168 594079785 /nfs/dbraw/zinc/07/97/85/594079785.db2.gz VDBSQWRCYBWRDD-LBPRGKRZSA-N 1 3 326.416 1.231 20 0 EDADHO CN(CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000827877910 594295185 /nfs/dbraw/zinc/29/51/85/594295185.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 1 3 345.443 1.878 20 0 EDADHO CN(CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000827877910 594295187 /nfs/dbraw/zinc/29/51/87/594295187.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 1 3 345.443 1.878 20 0 EDADHO C[C@H](NC1CC1)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847177 594964341 /nfs/dbraw/zinc/96/43/41/594964341.db2.gz RXELJGFBXGMBPH-LBPRGKRZSA-N 1 3 331.416 1.674 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C4(C[NH3+])CC4)n3)cn2)CC1 ZINC000843204649 595033390 /nfs/dbraw/zinc/03/33/90/595033390.db2.gz CYWPWTAGRLZJTI-UHFFFAOYSA-N 1 3 328.420 1.264 20 0 EDADHO CCN(CC)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000844162439 595287997 /nfs/dbraw/zinc/28/79/97/595287997.db2.gz QOIAERASUSVTBC-ZWKOTPCHSA-N 1 3 333.476 1.954 20 0 EDADHO CN(C(=O)c1n[nH]c2c1CNCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183134 595294811 /nfs/dbraw/zinc/29/48/11/595294811.db2.gz TYACVPPKMUIHBD-UHFFFAOYSA-N 1 3 343.431 1.272 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C3(OC)CC[NH2+]CC3)cc2)CC1 ZINC000844191726 595298306 /nfs/dbraw/zinc/29/83/06/595298306.db2.gz QVXLHSBADPHXNH-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521359 595401938 /nfs/dbraw/zinc/40/19/38/595401938.db2.gz SDFFRMJJVASKFY-RHSMWYFYSA-N 1 3 326.387 1.841 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)C3CC3)CC2)CC1 ZINC000847585164 595452908 /nfs/dbraw/zinc/45/29/08/595452908.db2.gz OTPRVAJUUKWLEM-SFHVURJKSA-N 1 3 337.508 1.460 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)COC)c1 ZINC000849061660 595476776 /nfs/dbraw/zinc/47/67/76/595476776.db2.gz WSNRBARNVNBCBW-INIZCTEOSA-N 1 3 347.463 1.370 20 0 EDADHO CN1CCN(CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000849080016 595479007 /nfs/dbraw/zinc/47/90/07/595479007.db2.gz CPRDFURVQHYJGN-UHFFFAOYSA-N 1 3 325.407 1.929 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000849557269 595565912 /nfs/dbraw/zinc/56/59/12/595565912.db2.gz FZISBBFVWJVBFH-OWSLCNJRSA-N 1 3 347.507 1.444 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555644 595566069 /nfs/dbraw/zinc/56/60/69/595566069.db2.gz XTQXPYOJBIFYBF-FGTMMUONSA-N 1 3 347.507 1.398 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852857829 595578563 /nfs/dbraw/zinc/57/85/63/595578563.db2.gz HIQVBYAANFARKR-YOEHRIQHSA-N 1 3 344.459 1.638 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852857829 595578566 /nfs/dbraw/zinc/57/85/66/595578566.db2.gz HIQVBYAANFARKR-YOEHRIQHSA-N 1 3 344.459 1.638 20 0 EDADHO CCCC[N@H+](CCC(=O)NC(N)=O)C1CC(C)(C)NC(C)(C)C1 ZINC000857706509 595579939 /nfs/dbraw/zinc/57/99/39/595579939.db2.gz XKNYHISGCKYVEZ-UHFFFAOYSA-N 1 3 326.485 1.983 20 0 EDADHO CCCC[N@@H+](CCC(=O)NC(N)=O)C1CC(C)(C)NC(C)(C)C1 ZINC000857706509 595579942 /nfs/dbraw/zinc/57/99/42/595579942.db2.gz XKNYHISGCKYVEZ-UHFFFAOYSA-N 1 3 326.485 1.983 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000849608593 595594687 /nfs/dbraw/zinc/59/46/87/595594687.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 1 3 347.507 1.444 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000849608593 595594688 /nfs/dbraw/zinc/59/46/88/595594688.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 1 3 347.507 1.444 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879617 595595058 /nfs/dbraw/zinc/59/50/58/595595058.db2.gz GBLQZFBDEYEPQD-UKRRQHHQSA-N 1 3 327.350 1.532 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853097791 595663989 /nfs/dbraw/zinc/66/39/89/595663989.db2.gz FKBWAHKFROHGPW-FQEVSTJZSA-N 1 3 340.471 1.652 20 0 EDADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000851634522 595862966 /nfs/dbraw/zinc/86/29/66/595862966.db2.gz HMVBYYMPDYIYNG-KRWDZBQOSA-N 1 3 338.411 1.548 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000851666773 595875889 /nfs/dbraw/zinc/87/58/89/595875889.db2.gz IUJVUEVSTHZXMG-GXTWGEPZSA-N 1 3 330.423 1.690 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000851666773 595875890 /nfs/dbraw/zinc/87/58/90/595875890.db2.gz IUJVUEVSTHZXMG-GXTWGEPZSA-N 1 3 330.423 1.690 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CNCCC1(F)F ZINC000851665976 595875923 /nfs/dbraw/zinc/87/59/23/595875923.db2.gz CPMYDOARYUXACJ-AWEZNQCLSA-N 1 3 330.423 1.405 20 0 EDADHO COC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599642 596030644 /nfs/dbraw/zinc/03/06/44/596030644.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 1 3 337.464 1.382 20 0 EDADHO COC[C@H](O)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856599642 596030648 /nfs/dbraw/zinc/03/06/48/596030648.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 1 3 337.464 1.382 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000861570874 596032449 /nfs/dbraw/zinc/03/24/49/596032449.db2.gz ORSOSLLIHFDZSI-OAHLLOKOSA-N 1 3 348.491 1.896 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCN(C)CC1 ZINC000868626624 596251180 /nfs/dbraw/zinc/25/11/80/596251180.db2.gz KKJIEKNDWLDNPW-GJZGRUSLSA-N 1 3 340.537 1.549 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCN(C)CC1 ZINC000868626624 596251182 /nfs/dbraw/zinc/25/11/82/596251182.db2.gz KKJIEKNDWLDNPW-GJZGRUSLSA-N 1 3 340.537 1.549 20 0 EDADHO Cc1cccc(C(=O)NC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000866697294 596297959 /nfs/dbraw/zinc/29/79/59/596297959.db2.gz MGZDYXOHMMUOES-SFHVURJKSA-N 1 3 343.471 1.710 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCCc2cccc(F)c2)C1 ZINC000866714866 596306536 /nfs/dbraw/zinc/30/65/36/596306536.db2.gz ZFKRAZOLFLIZAN-BBWFWOEESA-N 1 3 333.407 1.625 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982058 596429412 /nfs/dbraw/zinc/42/94/12/596429412.db2.gz WSEYKBFDNGORIT-SFHVURJKSA-N 1 3 348.466 1.106 20 0 EDADHO CC[NH+]1CCC(NC[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000865403441 596564113 /nfs/dbraw/zinc/56/41/13/596564113.db2.gz GBYQURIMHWMNBT-OAHLLOKOSA-N 1 3 329.485 1.990 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCOCc2ccccc2)CC1 ZINC000863548404 596614665 /nfs/dbraw/zinc/61/46/65/596614665.db2.gz QKQUMBLGOWQUKI-ZWKOTPCHSA-N 1 3 345.443 1.460 20 0 EDADHO COC(=O)COc1c(C)cc(C[NH2+]CC2(N)CCOCC2)cc1C ZINC000863645122 596642693 /nfs/dbraw/zinc/64/26/93/596642693.db2.gz CCVDREIMZVVFAI-UHFFFAOYSA-N 1 3 336.432 1.453 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000868175261 596711332 /nfs/dbraw/zinc/71/13/32/596711332.db2.gz BDXXJKJTGBASBI-IXDOHACOSA-N 1 3 332.448 1.470 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142764 596809351 /nfs/dbraw/zinc/80/93/51/596809351.db2.gz CNLGHIKEAKPNIZ-TXTZMMAHSA-N 1 3 335.492 1.524 20 0 EDADHO CC[C@@H](c1ccc(F)cc1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000872146082 596809975 /nfs/dbraw/zinc/80/99/75/596809975.db2.gz FEUQIYLIAXWCHS-IBGZPJMESA-N 1 3 334.483 1.800 20 0 EDADHO Cn1c(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156455 596815847 /nfs/dbraw/zinc/81/58/47/596815847.db2.gz JXVFCZKGTBLWTJ-PBHICJAKSA-N 1 3 348.491 1.204 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000872215095 596839024 /nfs/dbraw/zinc/83/90/24/596839024.db2.gz PKAGSOMWYQJVOP-ROUUACIJSA-N 1 3 336.476 1.255 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000872215095 596839028 /nfs/dbraw/zinc/83/90/28/596839028.db2.gz PKAGSOMWYQJVOP-ROUUACIJSA-N 1 3 336.476 1.255 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000872226568 596843755 /nfs/dbraw/zinc/84/37/55/596843755.db2.gz OFBZMPCZPXRLII-WOJBJXKFSA-N 1 3 347.503 1.242 20 0 EDADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000872304988 596875347 /nfs/dbraw/zinc/87/53/47/596875347.db2.gz FCYREHZBWFEMLH-GBESFXJTSA-N 1 3 345.487 1.777 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880997 /nfs/dbraw/zinc/88/09/97/596880997.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 1 3 341.540 1.558 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000874434050 597076240 /nfs/dbraw/zinc/07/62/40/597076240.db2.gz YIRMOSCZDIMCJD-ZVZYQTTQSA-N 1 3 346.475 1.869 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000876109472 597094123 /nfs/dbraw/zinc/09/41/23/597094123.db2.gz MZDAQBMPXUOLQE-UPTPFMHGSA-N 1 3 340.512 1.395 20 0 EDADHO COC(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)n1C ZINC000873079066 597183729 /nfs/dbraw/zinc/18/37/29/597183729.db2.gz BJVLEPVRROUNTH-DOTOQJQBSA-N 1 3 335.448 1.279 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524326 597230183 /nfs/dbraw/zinc/23/01/83/597230183.db2.gz NRAXAWKOEOSJDI-SFHVURJKSA-N 1 3 342.443 1.422 20 0 EDADHO FC(F)(F)C(F)(F)OCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873282198 597248275 /nfs/dbraw/zinc/24/82/75/597248275.db2.gz GIVXFXCOCTWPCT-GARJFASQSA-N 1 3 332.313 1.905 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876719706 597304211 /nfs/dbraw/zinc/30/42/11/597304211.db2.gz SNUSZMFUNNBVJD-YJBOKZPZSA-N 1 3 332.492 1.424 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876719706 597304214 /nfs/dbraw/zinc/30/42/14/597304214.db2.gz SNUSZMFUNNBVJD-YJBOKZPZSA-N 1 3 332.492 1.424 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875157284 597307065 /nfs/dbraw/zinc/30/70/65/597307065.db2.gz SKUJQKHKQOYEJH-UHFFFAOYSA-N 1 3 340.512 1.214 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781366 597338986 /nfs/dbraw/zinc/33/89/86/597338986.db2.gz GTTTYZWIASCAHA-RGDDUWESSA-N 1 3 329.448 1.328 20 0 EDADHO CN(C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000876827553 597353119 /nfs/dbraw/zinc/35/31/19/597353119.db2.gz CFWFEHOKBKLGHJ-OKZBNKHCSA-N 1 3 332.492 1.074 20 0 EDADHO CN(C)C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1 ZINC000876881497 597368441 /nfs/dbraw/zinc/36/84/41/597368441.db2.gz IAXDCHDEBAULRY-AVGNSLFASA-N 1 3 331.794 1.899 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](O)COc2cccc(F)c2)CC1 ZINC000876965942 597400313 /nfs/dbraw/zinc/40/03/13/597400313.db2.gz LPYARDPFVROTDY-MRXNPFEDSA-N 1 3 340.439 1.390 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371543 597404591 /nfs/dbraw/zinc/40/45/91/597404591.db2.gz QPLHIQCZSCEWAF-RDJZCZTQSA-N 1 3 334.508 1.987 20 0 EDADHO NCc1cn(-c2cccc(CNC(=O)CCC3CC[NH2+]CC3)c2)nn1 ZINC000877206616 597461588 /nfs/dbraw/zinc/46/15/88/597461588.db2.gz JNNWXYVTZXZGCW-UHFFFAOYSA-N 1 3 342.447 1.122 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877358840 597500711 /nfs/dbraw/zinc/50/07/11/597500711.db2.gz DOFZZPYPRJXFDG-KBPBESRZSA-N 1 3 329.366 1.957 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000878370643 597598017 /nfs/dbraw/zinc/59/80/17/597598017.db2.gz ZEEBWZFIXJBGPD-VQIMIIECSA-N 1 3 345.487 1.954 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825317 597725311 /nfs/dbraw/zinc/72/53/11/597725311.db2.gz DGLBVOLYOWRZQG-QLFBSQMISA-N 1 3 341.496 1.723 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825317 597725313 /nfs/dbraw/zinc/72/53/13/597725313.db2.gz DGLBVOLYOWRZQG-QLFBSQMISA-N 1 3 341.496 1.723 20 0 EDADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](CO)CN3CCCC3)c2)C1 ZINC000879990688 597799834 /nfs/dbraw/zinc/79/98/34/597799834.db2.gz FTDGSOGKVJSMGP-OALUTQOASA-N 1 3 345.487 1.682 20 0 EDADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](CO)CN3CCCC3)c2)C1 ZINC000879990688 597799836 /nfs/dbraw/zinc/79/98/36/597799836.db2.gz FTDGSOGKVJSMGP-OALUTQOASA-N 1 3 345.487 1.682 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CC[C@]3(C(=O)OC)CCC[C@H]23)CC1 ZINC000880178390 597866390 /nfs/dbraw/zinc/86/63/90/597866390.db2.gz DYLIUUYDGCIREZ-MAUKXSAKSA-N 1 3 337.464 1.005 20 0 EDADHO COCC[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000884223897 598035412 /nfs/dbraw/zinc/03/54/12/598035412.db2.gz BAJZZCFMZZZRHM-SFHVURJKSA-N 1 3 348.491 1.767 20 0 EDADHO CC[C@@H](CNC(=S)NCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000914704092 695627530 /nfs/dbraw/zinc/62/75/30/695627530.db2.gz OBWXQOQSTBKDPU-KRWDZBQOSA-N 1 3 334.533 1.849 20 0 EDADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)C1 ZINC000915694426 695972210 /nfs/dbraw/zinc/97/22/10/695972210.db2.gz LEBPLXIHXQILJB-SJLPKXTDSA-N 1 3 337.508 1.414 20 0 EDADHO C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847169 697322465 /nfs/dbraw/zinc/32/24/65/697322465.db2.gz JEABHBBIWFRMHW-MRXNPFEDSA-N 1 3 337.508 1.414 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)NC2CCN(C)CC2)C1 ZINC000920309771 697419471 /nfs/dbraw/zinc/41/94/71/697419471.db2.gz OAQCVVNMAQZTFI-HUUCEWRRSA-N 1 3 326.554 1.913 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031715610 697741599 /nfs/dbraw/zinc/74/15/99/697741599.db2.gz XKBMEHNZGAOEJN-IAGOWNOFSA-N 1 3 337.508 1.724 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031715610 697741600 /nfs/dbraw/zinc/74/16/00/697741600.db2.gz XKBMEHNZGAOEJN-IAGOWNOFSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC000940119766 700253459 /nfs/dbraw/zinc/25/34/59/700253459.db2.gz IVBJEQGIDPAHIP-GDBMZVCRSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)on1 ZINC000940119766 700253462 /nfs/dbraw/zinc/25/34/62/700253462.db2.gz IVBJEQGIDPAHIP-GDBMZVCRSA-N 1 3 334.464 1.794 20 0 EDADHO C[C@@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+]1CCCCCC1 ZINC000941596055 701587548 /nfs/dbraw/zinc/58/75/48/701587548.db2.gz VBTVEJPTGVQCNK-KRWDZBQOSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cncc(F)c1 ZINC000939257043 699434224 /nfs/dbraw/zinc/43/42/24/699434224.db2.gz IULPSMULOPDVPG-RDTXWAMCSA-N 1 3 348.466 1.889 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1ccccc1F ZINC000939545348 699687359 /nfs/dbraw/zinc/68/73/59/699687359.db2.gz NRBFLXGVPHIENG-YOEHRIQHSA-N 1 3 331.435 1.858 20 0 EDADHO Cc1nsc(C)c1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547151 699689263 /nfs/dbraw/zinc/68/92/63/699689263.db2.gz WFLZFEJGBBGIFM-LRDDRELGSA-N 1 3 348.516 1.792 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941674456 701614424 /nfs/dbraw/zinc/61/44/24/701614424.db2.gz CAJCOQJDEQHYAQ-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941674456 701614425 /nfs/dbraw/zinc/61/44/25/701614425.db2.gz CAJCOQJDEQHYAQ-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)c1ccn2cncc2c1 ZINC000995007843 699913635 /nfs/dbraw/zinc/91/36/35/699913635.db2.gz QJYIETNSLJOJNA-JSGCOSHPSA-N 1 3 340.387 1.406 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccnn1C ZINC000939810543 699958864 /nfs/dbraw/zinc/95/88/64/699958864.db2.gz NNHUOUMDJFQTRK-NVXWUHKLSA-N 1 3 333.480 1.233 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000940176989 700309984 /nfs/dbraw/zinc/30/99/84/700309984.db2.gz UHKFQCXXLVWZKC-HZPDHXFCSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)N(C)C ZINC000940306903 700489261 /nfs/dbraw/zinc/48/92/61/700489261.db2.gz PTLZACAFIDITKC-MRXNPFEDSA-N 1 3 335.496 1.477 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3ccns3)CC2)C1 ZINC000940329696 700509677 /nfs/dbraw/zinc/50/96/77/700509677.db2.gz XKCYJGOJJDKEQX-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000940392128 700568571 /nfs/dbraw/zinc/56/85/71/700568571.db2.gz LAJWQNRQHLKTCY-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000940427167 700621132 /nfs/dbraw/zinc/62/11/32/700621132.db2.gz AWYNDDMUXLUPSB-UHFFFAOYSA-N 1 3 332.448 1.550 20 0 EDADHO Cn1nccc1CN1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221030 701411531 /nfs/dbraw/zinc/41/15/31/701411531.db2.gz KNYGFMGQKLBMAY-INIZCTEOSA-N 1 3 333.480 1.233 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)c1 ZINC000941237138 701427724 /nfs/dbraw/zinc/42/77/24/701427724.db2.gz ITWHKRDUIOSANK-SFHVURJKSA-N 1 3 347.503 1.961 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCCO)CC2(C)C)c1 ZINC000941237138 701427725 /nfs/dbraw/zinc/42/77/25/701427725.db2.gz ITWHKRDUIOSANK-SFHVURJKSA-N 1 3 347.503 1.961 20 0 EDADHO Cc1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)o1 ZINC000946518531 706604177 /nfs/dbraw/zinc/60/41/77/706604177.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1ncc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)o1 ZINC000946518531 706604180 /nfs/dbraw/zinc/60/41/80/706604180.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO CC[C@@H](C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1)N(C)C ZINC000995799756 702041791 /nfs/dbraw/zinc/04/17/91/702041791.db2.gz JPDYICUTUJNVLH-KRWDZBQOSA-N 1 3 346.475 1.029 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823408 702093085 /nfs/dbraw/zinc/09/30/85/702093085.db2.gz GCLJJVGWPPHXGJ-OIISXLGYSA-N 1 3 330.476 1.748 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)CC[N@H+]1C ZINC000995823408 702093092 /nfs/dbraw/zinc/09/30/92/702093092.db2.gz GCLJJVGWPPHXGJ-OIISXLGYSA-N 1 3 330.476 1.748 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889540 702230161 /nfs/dbraw/zinc/23/01/61/702230161.db2.gz WABGZDHZGFQKHO-JKSUJKDBSA-N 1 3 337.508 1.724 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1NCCF ZINC000995891185 702233392 /nfs/dbraw/zinc/23/33/92/702233392.db2.gz CPNFTUQTHLVDMX-JKSUJKDBSA-N 1 3 341.471 1.426 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1NCCF ZINC000995891185 702233396 /nfs/dbraw/zinc/23/33/96/702233396.db2.gz CPNFTUQTHLVDMX-JKSUJKDBSA-N 1 3 341.471 1.426 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@H](NCc3ccns3)C(C)(C)C2)CC1 ZINC000996225136 702634528 /nfs/dbraw/zinc/63/45/28/702634528.db2.gz ZZWVINUQAZMNDO-HNNXBMFYSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996300205 702691552 /nfs/dbraw/zinc/69/15/52/702691552.db2.gz KGZGRXMOWTXMJA-WMLDXEAASA-N 1 3 347.507 1.539 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561500 702875424 /nfs/dbraw/zinc/87/54/24/702875424.db2.gz PTNFQPXFJLDLNR-MLGOLLRUSA-N 1 3 346.479 1.097 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617450 702924454 /nfs/dbraw/zinc/92/44/54/702924454.db2.gz AWFCSCQLYMXXGB-IRXDYDNUSA-N 1 3 349.500 1.692 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC000996661595 702959152 /nfs/dbraw/zinc/95/91/52/702959152.db2.gz MKDRZFZTFQWWQN-KRWDZBQOSA-N 1 3 334.464 1.938 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cc(C)no2)CC1 ZINC000996661595 702959154 /nfs/dbraw/zinc/95/91/54/702959154.db2.gz MKDRZFZTFQWWQN-KRWDZBQOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)ncn1 ZINC000996662221 702959817 /nfs/dbraw/zinc/95/98/17/702959817.db2.gz DPBUSFBANZLKKO-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)C1CCC1 ZINC000996664017 702962052 /nfs/dbraw/zinc/96/20/52/702962052.db2.gz CJQROJILVCIYGC-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)s1 ZINC000996679181 702978217 /nfs/dbraw/zinc/97/82/17/702978217.db2.gz QISSOABBCLMQMD-INIZCTEOSA-N 1 3 336.505 1.872 20 0 EDADHO CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)o1 ZINC000996711034 703005716 /nfs/dbraw/zinc/00/57/16/703005716.db2.gz IMSPSPBWGRXGCO-OAHLLOKOSA-N 1 3 336.480 1.966 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867460 703140353 /nfs/dbraw/zinc/14/03/53/703140353.db2.gz ITIBAVVWJLOAGE-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000996923013 703194073 /nfs/dbraw/zinc/19/40/73/703194073.db2.gz QEYPCLSAVVDTLS-HOTGVXAUSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000996923013 703194075 /nfs/dbraw/zinc/19/40/75/703194075.db2.gz QEYPCLSAVVDTLS-HOTGVXAUSA-N 1 3 345.491 1.596 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC(NCc2cnon2)CC1 ZINC000996936283 703205376 /nfs/dbraw/zinc/20/53/76/703205376.db2.gz RWZKGOUWKCRUIT-UHFFFAOYSA-N 1 3 333.392 1.119 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996936283 703205380 /nfs/dbraw/zinc/20/53/80/703205380.db2.gz RWZKGOUWKCRUIT-UHFFFAOYSA-N 1 3 333.392 1.119 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997004801 703262025 /nfs/dbraw/zinc/26/20/25/703262025.db2.gz GTQBHAHMVHXRCY-OAHLLOKOSA-N 1 3 330.476 1.812 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)sn1 ZINC000997006309 703263485 /nfs/dbraw/zinc/26/34/85/703263485.db2.gz KSKJNYVKWKPECJ-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccnc(OC)c2)CC1)N(C)C ZINC000997010372 703270702 /nfs/dbraw/zinc/27/07/02/703270702.db2.gz URFNWCKVRSEZOZ-INIZCTEOSA-N 1 3 334.464 1.511 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997039459 703290614 /nfs/dbraw/zinc/29/06/14/703290614.db2.gz CVLFKOLFDRNUOX-UHFFFAOYSA-N 1 3 341.459 1.799 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)n1 ZINC001032408765 703436124 /nfs/dbraw/zinc/43/61/24/703436124.db2.gz HEXSGOXHNITMAB-HOTGVXAUSA-N 1 3 331.464 1.144 20 0 EDADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408713 703436178 /nfs/dbraw/zinc/43/61/78/703436178.db2.gz DKROAXNHUYCCFG-OKYOBFRVSA-N 1 3 349.519 1.819 20 0 EDADHO Cc1nonc1C[NH2+]C1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000997189443 703479565 /nfs/dbraw/zinc/47/95/65/703479565.db2.gz YKFJTEUSVMQZRA-UHFFFAOYSA-N 1 3 344.419 1.233 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366906 703600925 /nfs/dbraw/zinc/60/09/25/703600925.db2.gz PGNXIGBZDCBZGX-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997420322 703670270 /nfs/dbraw/zinc/67/02/70/703670270.db2.gz HEZYTIGLLXRVPL-QAPCUYQASA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997420322 703670271 /nfs/dbraw/zinc/67/02/71/703670271.db2.gz HEZYTIGLLXRVPL-QAPCUYQASA-N 1 3 330.476 1.750 20 0 EDADHO CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000997611488 703911327 /nfs/dbraw/zinc/91/13/27/703911327.db2.gz FWDXAWFDLZJGAX-QGZVFWFLSA-N 1 3 333.480 1.325 20 0 EDADHO C[C@H]1[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000922878606 704444553 /nfs/dbraw/zinc/44/45/53/704444553.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 1 3 331.464 1.466 20 0 EDADHO C[C@H]1[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000922878606 704444554 /nfs/dbraw/zinc/44/45/54/704444554.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 1 3 331.464 1.466 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)on1 ZINC000997822471 704742207 /nfs/dbraw/zinc/74/22/07/704742207.db2.gz DXDZXVTTZPQKMQ-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997831471 704749412 /nfs/dbraw/zinc/74/94/12/704749412.db2.gz SWYZWSHNPFAYRN-SFHVURJKSA-N 1 3 348.491 1.960 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccns3)CC2)C1 ZINC000998080921 705300343 /nfs/dbraw/zinc/30/03/43/705300343.db2.gz FWLAQDOGFQUPHP-CQSZACIVSA-N 1 3 336.505 1.813 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)N(C)C ZINC000998084565 705315499 /nfs/dbraw/zinc/31/54/99/705315499.db2.gz CHTQFOHKTNWGRW-KRWDZBQOSA-N 1 3 336.455 1.889 20 0 EDADHO CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000998120111 705378906 /nfs/dbraw/zinc/37/89/06/705378906.db2.gz PVXTUWGEZRYYEX-INIZCTEOSA-N 1 3 334.464 1.596 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000998222764 705549135 /nfs/dbraw/zinc/54/91/35/705549135.db2.gz LNIVYJOZOIGGQV-UHFFFAOYSA-N 1 3 348.516 1.876 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)nn1C ZINC000998268723 705645181 /nfs/dbraw/zinc/64/51/81/705645181.db2.gz IHDKDTDZTHFCOW-UHFFFAOYSA-N 1 3 333.480 1.153 20 0 EDADHO Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348655 706860694 /nfs/dbraw/zinc/86/06/94/706860694.db2.gz OJEQRDNNTSLKKI-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348357 706860714 /nfs/dbraw/zinc/86/07/14/706860714.db2.gz NZAZZCURTYWJSG-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999362287 706875671 /nfs/dbraw/zinc/87/56/71/706875671.db2.gz AKAQXYRUXZPOOZ-ROUUACIJSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999397935 706892247 /nfs/dbraw/zinc/89/22/47/706892247.db2.gz AJXWCFSGTCVNGA-ZWKOTPCHSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999397935 706892248 /nfs/dbraw/zinc/89/22/48/706892248.db2.gz AJXWCFSGTCVNGA-ZWKOTPCHSA-N 1 3 347.507 1.684 20 0 EDADHO Cn1ccnc1CN[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999618361 707137905 /nfs/dbraw/zinc/13/79/05/707137905.db2.gz FVWFAYKRDDGGDF-OAHLLOKOSA-N 1 3 338.415 1.462 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999690057 707246519 /nfs/dbraw/zinc/24/65/19/707246519.db2.gz UVXKBBSGTJHGMG-UQPPLGOBSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999690057 707246524 /nfs/dbraw/zinc/24/65/24/707246524.db2.gz UVXKBBSGTJHGMG-UQPPLGOBSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001000194465 707830985 /nfs/dbraw/zinc/83/09/85/707830985.db2.gz VPWGWHFHCVMROO-QAPCUYQASA-N 1 3 330.476 1.812 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN(CCn2cccn2)C1 ZINC001033475741 707965916 /nfs/dbraw/zinc/96/59/16/707965916.db2.gz QXPIIXWGHSCSMR-KRWDZBQOSA-N 1 3 333.480 1.148 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCC[C@H]1CCOC1 ZINC001032800813 708083597 /nfs/dbraw/zinc/08/35/97/708083597.db2.gz AYZDCHBPDGQTCQ-FHWLQOOXSA-N 1 3 349.519 1.964 20 0 EDADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319593 709769562 /nfs/dbraw/zinc/76/95/62/709769562.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 1 3 335.492 1.476 20 0 EDADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319593 709769564 /nfs/dbraw/zinc/76/95/64/709769564.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 1 3 335.492 1.476 20 0 EDADHO C[C@H](C(=O)N(C)C)N1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003250617 710173470 /nfs/dbraw/zinc/17/34/70/710173470.db2.gz KRUWPPRFWWKCFZ-CYBMUJFWSA-N 1 3 343.431 1.005 20 0 EDADHO C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)c2ccn3cncc3c2)CC1 ZINC001003250617 710173472 /nfs/dbraw/zinc/17/34/72/710173472.db2.gz KRUWPPRFWWKCFZ-CYBMUJFWSA-N 1 3 343.431 1.005 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842943 710402273 /nfs/dbraw/zinc/40/22/73/710402273.db2.gz CCGTVVHOGKDQTC-CGTJXYLNSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842943 710402275 /nfs/dbraw/zinc/40/22/75/710402275.db2.gz CCGTVVHOGKDQTC-CGTJXYLNSA-N 1 3 331.460 1.252 20 0 EDADHO COC[C@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628662 710458515 /nfs/dbraw/zinc/45/85/15/710458515.db2.gz SNWIOTMJFUJEQE-KBXCAEBGSA-N 1 3 343.487 1.814 20 0 EDADHO C[NH+]1CCC(CC(=O)NC2CCN(CCn3cccn3)CC2)CC1 ZINC001003742080 710524803 /nfs/dbraw/zinc/52/48/03/710524803.db2.gz VOSUTPWZINHPDN-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034720312 710886501 /nfs/dbraw/zinc/88/65/01/710886501.db2.gz DEOWYCZPFSMGPR-QAQDUYKDSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)ncn1 ZINC001034734881 710917844 /nfs/dbraw/zinc/91/78/44/710917844.db2.gz BECVJINWIUSWEN-ULQDDVLXSA-N 1 3 345.491 1.786 20 0 EDADHO Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034735858 710921901 /nfs/dbraw/zinc/92/19/01/710921901.db2.gz OBTDIEMJJMFXLU-KBRIMQKVSA-N 1 3 334.464 1.984 20 0 EDADHO CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740724 711274843 /nfs/dbraw/zinc/27/48/43/711274843.db2.gz HMBMBZVZSUQJQH-URSIVYNOSA-N 1 3 335.492 1.573 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001034941843 711447085 /nfs/dbraw/zinc/44/70/85/711447085.db2.gz ZBQXLOXDGXEHJB-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)CC[N@H+]1C ZINC001034941843 711447088 /nfs/dbraw/zinc/44/70/88/711447088.db2.gz ZBQXLOXDGXEHJB-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001004150011 711564617 /nfs/dbraw/zinc/56/46/17/711564617.db2.gz QOBIWIWPLNCMSY-MRXNPFEDSA-N 1 3 331.460 1.598 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001004150011 711564621 /nfs/dbraw/zinc/56/46/21/711564621.db2.gz QOBIWIWPLNCMSY-MRXNPFEDSA-N 1 3 331.460 1.598 20 0 EDADHO Cc1ccc(OCCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004151364 711568991 /nfs/dbraw/zinc/56/89/91/711568991.db2.gz XSPZGKMPEHOUNF-KRWDZBQOSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1ccc(OCCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004151364 711568992 /nfs/dbraw/zinc/56/89/92/711568992.db2.gz XSPZGKMPEHOUNF-KRWDZBQOSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633040 712042187 /nfs/dbraw/zinc/04/21/87/712042187.db2.gz DELGPZKUROZJEW-FJIDUMEYSA-N 1 3 339.524 1.778 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633040 712042188 /nfs/dbraw/zinc/04/21/88/712042188.db2.gz DELGPZKUROZJEW-FJIDUMEYSA-N 1 3 339.524 1.778 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)[C@H]2C1 ZINC000272261033 282109760 /nfs/dbraw/zinc/10/97/60/282109760.db2.gz APORXECWKMWWAQ-HOCLYGCPSA-N 1 3 332.448 1.188 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000262029603 282148367 /nfs/dbraw/zinc/14/83/67/282148367.db2.gz JQDLACWBSCWKAI-KRWDZBQOSA-N 1 3 339.505 1.934 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000360743590 282274233 /nfs/dbraw/zinc/27/42/33/282274233.db2.gz FNYFFYDXHSYMSH-WBVHZDCISA-N 1 3 340.537 1.551 20 0 EDADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000178361539 529835270 /nfs/dbraw/zinc/83/52/70/529835270.db2.gz NXUANVJZJPEKLW-LJQANCHMSA-N 1 3 345.487 1.867 20 0 EDADHO CN1CCC[C@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000559463546 306255357 /nfs/dbraw/zinc/25/53/57/306255357.db2.gz WALQUCPWYZZBFV-OAHLLOKOSA-N 1 3 325.478 1.368 20 0 EDADHO C[C@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457010 305109563 /nfs/dbraw/zinc/10/95/63/305109563.db2.gz OBTXMONPLAIKHA-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000333235394 539626095 /nfs/dbraw/zinc/62/60/95/539626095.db2.gz CXNMBGBSUQBWTL-HOCLYGCPSA-N 1 3 331.526 1.558 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000561231301 306284951 /nfs/dbraw/zinc/28/49/51/306284951.db2.gz ZWLSTPOSSCKGPQ-PKOBYXMFSA-N 1 3 330.476 1.986 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561231301 306284952 /nfs/dbraw/zinc/28/49/52/306284952.db2.gz ZWLSTPOSSCKGPQ-PKOBYXMFSA-N 1 3 330.476 1.986 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699793 /nfs/dbraw/zinc/69/97/93/539699793.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 1 3 344.503 1.694 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699796 /nfs/dbraw/zinc/69/97/96/539699796.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 1 3 344.503 1.694 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000342980091 539769365 /nfs/dbraw/zinc/76/93/65/539769365.db2.gz WZJNMYUWVRWIOK-CYBMUJFWSA-N 1 3 340.512 1.258 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757575 452096349 /nfs/dbraw/zinc/09/63/49/452096349.db2.gz IIKWGZYWILIJHZ-UHFFFAOYSA-N 1 3 325.497 1.583 20 0 EDADHO C[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443676075 305240831 /nfs/dbraw/zinc/24/08/31/305240831.db2.gz UQPNFLNFDMFDTG-HNNXBMFYSA-N 1 3 342.528 1.715 20 0 EDADHO CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357066161 283148609 /nfs/dbraw/zinc/14/86/09/283148609.db2.gz BTCPQVMPPCJENV-ZDUSSCGKSA-N 1 3 339.402 1.475 20 0 EDADHO CCCCOC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195174434 535315826 /nfs/dbraw/zinc/31/58/26/535315826.db2.gz NBKJFTAXDALQJC-ZIFCJYIRSA-N 1 3 342.524 1.985 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129461299 223058526 /nfs/dbraw/zinc/05/85/26/223058526.db2.gz JRKVIZBQXWDQIK-KRWDZBQOSA-N 1 3 348.491 1.720 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000565352549 306382002 /nfs/dbraw/zinc/38/20/02/306382002.db2.gz CAPOPVHDRPBEOA-ROUUACIJSA-N 1 3 346.475 1.410 20 0 EDADHO CSC1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCC1 ZINC000414479032 304117791 /nfs/dbraw/zinc/11/77/91/304117791.db2.gz GTRIHMZAJRBKCX-UHFFFAOYSA-N 1 3 327.538 1.658 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703062 304130004 /nfs/dbraw/zinc/13/00/04/304130004.db2.gz LMKZZBSMBUVHLH-ZDUSSCGKSA-N 1 3 330.432 1.076 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416795120 283933134 /nfs/dbraw/zinc/93/31/34/283933134.db2.gz RZJARQWXZCVYTG-AEFFLSMTSA-N 1 3 328.460 1.654 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000414714977 304131579 /nfs/dbraw/zinc/13/15/79/304131579.db2.gz WWGVHONJAUVSJV-CABCVRRESA-N 1 3 346.475 1.581 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000414740191 304135338 /nfs/dbraw/zinc/13/53/38/304135338.db2.gz JOCXUBHCPXUYIV-HUUCEWRRSA-N 1 3 346.475 1.581 20 0 EDADHO COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414744204 304136122 /nfs/dbraw/zinc/13/61/22/304136122.db2.gz JKZXTFFGTNDVIO-OAHLLOKOSA-N 1 3 331.460 1.293 20 0 EDADHO COc1ccc2c(c1)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414744204 304136124 /nfs/dbraw/zinc/13/61/24/304136124.db2.gz JKZXTFFGTNDVIO-OAHLLOKOSA-N 1 3 331.460 1.293 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773529 304139445 /nfs/dbraw/zinc/13/94/45/304139445.db2.gz DNGHVYKPPNFLJG-CABCVRRESA-N 1 3 327.428 1.604 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000415089260 304158600 /nfs/dbraw/zinc/15/86/00/304158600.db2.gz YRBZHFUVDYCEIX-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO COc1cc(CN2CC[C@H](NC[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000415091365 304158772 /nfs/dbraw/zinc/15/87/72/304158772.db2.gz YZFYYOBLDYLIRD-WBVHZDCISA-N 1 3 333.476 1.867 20 0 EDADHO CC(C)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C1(CO)CCCC1 ZINC000415108372 304160923 /nfs/dbraw/zinc/16/09/23/304160923.db2.gz QATIXINQAMVIDH-RDJZCZTQSA-N 1 3 325.497 1.351 20 0 EDADHO C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116776 304161460 /nfs/dbraw/zinc/16/14/60/304161460.db2.gz IERIYWBGZOYXBN-UXLLHSPISA-N 1 3 330.476 1.794 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000415148174 304165185 /nfs/dbraw/zinc/16/51/85/304165185.db2.gz KNTHHKAEOQOWFT-AWEZNQCLSA-N 1 3 344.459 1.732 20 0 EDADHO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000236966961 139036866 /nfs/dbraw/zinc/03/68/66/139036866.db2.gz PTYKIRIYHWGTPB-GOSISDBHSA-N 1 3 332.492 1.568 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C1CC[NH2+]CC1 ZINC000237152993 139042304 /nfs/dbraw/zinc/04/23/04/139042304.db2.gz JJKOVCPVZMEGLM-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000238055802 139067862 /nfs/dbraw/zinc/06/78/62/139067862.db2.gz AHFHMLWXQHACHF-SJORKVTESA-N 1 3 333.501 1.862 20 0 EDADHO COCC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539836 139208667 /nfs/dbraw/zinc/20/86/67/139208667.db2.gz BSCRNXXPNDWCFO-KRWDZBQOSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670807 139216061 /nfs/dbraw/zinc/21/60/61/139216061.db2.gz BUUQEXIKGFMCFQ-WBVHZDCISA-N 1 3 331.460 1.664 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670807 139216062 /nfs/dbraw/zinc/21/60/62/139216062.db2.gz BUUQEXIKGFMCFQ-WBVHZDCISA-N 1 3 331.460 1.664 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261698756 139218578 /nfs/dbraw/zinc/21/85/78/139218578.db2.gz HXNHRPKIWLZLIR-HOCLYGCPSA-N 1 3 325.497 1.757 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261698756 139218579 /nfs/dbraw/zinc/21/85/79/139218579.db2.gz HXNHRPKIWLZLIR-HOCLYGCPSA-N 1 3 325.497 1.757 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261914624 139236639 /nfs/dbraw/zinc/23/66/39/139236639.db2.gz XZIPPSVCPIWPNE-GOSISDBHSA-N 1 3 349.475 1.387 20 0 EDADHO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000261990869 139242286 /nfs/dbraw/zinc/24/22/86/139242286.db2.gz DVIQCTNSKGLDPY-MRXNPFEDSA-N 1 3 327.494 1.790 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)[C@H]1CCC[NH2+]1 ZINC000262175834 139257527 /nfs/dbraw/zinc/25/75/27/139257527.db2.gz IGEJZTNPQRNCMF-SJLPKXTDSA-N 1 3 343.471 1.702 20 0 EDADHO CN1CCC(CCO)(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416188492 251056159 /nfs/dbraw/zinc/05/61/59/251056159.db2.gz ISYVUUSZONDGOX-KRWDZBQOSA-N 1 3 333.476 1.642 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416788994 251110113 /nfs/dbraw/zinc/11/01/13/251110113.db2.gz CPNUQMPCGVQFLP-MSOLQXFVSA-N 1 3 342.487 1.902 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(F)F ZINC000417086312 251141473 /nfs/dbraw/zinc/14/14/73/251141473.db2.gz FAHKJDRVKUVOHM-LSDHHAIUSA-N 1 3 340.418 1.933 20 0 EDADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000417024772 251138278 /nfs/dbraw/zinc/13/82/78/251138278.db2.gz MPIXDIISIMHBOF-HZPDHXFCSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H]1NCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000417024772 251138282 /nfs/dbraw/zinc/13/82/82/251138282.db2.gz MPIXDIISIMHBOF-HZPDHXFCSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622565 251208769 /nfs/dbraw/zinc/20/87/69/251208769.db2.gz HKVFBAFNECJZHN-ZIAGYGMSSA-N 1 3 328.526 1.773 20 0 EDADHO CC[NH2+]CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622978 251209297 /nfs/dbraw/zinc/20/92/97/251209297.db2.gz ILASVBNOJDMKQL-UHFFFAOYSA-N 1 3 328.526 1.647 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417696463 251233189 /nfs/dbraw/zinc/23/31/89/251233189.db2.gz GTWDHAMFCDCWPS-PMPSAXMXSA-N 1 3 326.485 1.399 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCSC1 ZINC000417826495 251286259 /nfs/dbraw/zinc/28/62/59/251286259.db2.gz MPLPTNXKLKNLBV-IIAWOOMASA-N 1 3 328.526 1.488 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000417835397 251290723 /nfs/dbraw/zinc/29/07/23/251290723.db2.gz VZNGRJUJLVNDEG-JQHSSLGASA-N 1 3 330.476 1.900 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000417802828 251277427 /nfs/dbraw/zinc/27/74/27/251277427.db2.gz FCMWIKZEUBNPPM-ZDUSSCGKSA-N 1 3 336.427 1.158 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000418151500 251345935 /nfs/dbraw/zinc/34/59/35/251345935.db2.gz STIRIPHXUGYQDI-QZTJIDSGSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418709405 251392236 /nfs/dbraw/zinc/39/22/36/251392236.db2.gz RDRLBHJFKALBSS-MAUKXSAKSA-N 1 3 334.464 1.050 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418723367 251399227 /nfs/dbraw/zinc/39/92/27/251399227.db2.gz NVTKNKNAKPEDEK-QAETUUGQSA-N 1 3 338.496 1.399 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418641516 251382665 /nfs/dbraw/zinc/38/26/65/251382665.db2.gz NNLWYBOFMVKFRA-SFHVURJKSA-N 1 3 346.475 1.907 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000262654102 139293352 /nfs/dbraw/zinc/29/33/52/139293352.db2.gz SQUZSYYTHLGXMX-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000419795552 251545867 /nfs/dbraw/zinc/54/58/67/251545867.db2.gz KQIHTJWJHYJLJT-UHFFFAOYSA-N 1 3 346.475 1.141 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415588000 304233807 /nfs/dbraw/zinc/23/38/07/304233807.db2.gz ZLZKRIBXRKRZLZ-ZFWWWQNUSA-N 1 3 332.448 1.191 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000415590263 304234266 /nfs/dbraw/zinc/23/42/66/304234266.db2.gz ZXUFYRFPECCMJI-USXIJHARSA-N 1 3 344.459 1.273 20 0 EDADHO CCCS(=O)(=O)N1CCC(N[C@@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422858781 252002246 /nfs/dbraw/zinc/00/22/46/252002246.db2.gz JFYPIFLESJAOHI-JKSUJKDBSA-N 1 3 331.526 1.701 20 0 EDADHO COC(=O)COc1ccccc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423181267 252043779 /nfs/dbraw/zinc/04/37/79/252043779.db2.gz JMMUHAALNSLAID-HNNXBMFYSA-N 1 3 335.448 1.184 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773562 252068726 /nfs/dbraw/zinc/06/87/26/252068726.db2.gz JPNQHOYYKCOEEP-XKGZKEIXSA-N 1 3 345.487 1.639 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775144 252069154 /nfs/dbraw/zinc/06/91/54/252069154.db2.gz LYTGCHCWFDHHRD-INIZCTEOSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422911776 252020078 /nfs/dbraw/zinc/02/00/78/252020078.db2.gz LLQGTJDIVSKAPV-MSOLQXFVSA-N 1 3 332.492 1.728 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CCN1C ZINC000424149232 252146162 /nfs/dbraw/zinc/14/61/62/252146162.db2.gz VYTRIKJNIOINKB-QLFBSQMISA-N 1 3 333.480 1.442 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1C ZINC000424137935 252137884 /nfs/dbraw/zinc/13/78/84/252137884.db2.gz COLMTKYJBJOWPM-QLFBSQMISA-N 1 3 334.468 1.147 20 0 EDADHO COC(=O)CC1CC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000424277982 252187223 /nfs/dbraw/zinc/18/72/23/252187223.db2.gz HNCOAJUKZJCKRY-UYJHFMRCSA-N 1 3 332.444 1.685 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000424464069 252237756 /nfs/dbraw/zinc/23/77/56/252237756.db2.gz IMVJPNJMEMGNNA-BBRMVZONSA-N 1 3 330.432 1.087 20 0 EDADHO O=C(CN1CCC[C@H]1CCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426208950 252324692 /nfs/dbraw/zinc/32/46/92/252324692.db2.gz FVLDKYHCUFSIEM-IBGZPJMESA-N 1 3 345.487 1.745 20 0 EDADHO COC1(C(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]CC1 ZINC000166179617 532971379 /nfs/dbraw/zinc/97/13/79/532971379.db2.gz YJPRRHPMVUFZIM-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000347042417 285058715 /nfs/dbraw/zinc/05/87/15/285058715.db2.gz KQZKTZWOQXPQIM-ULQDDVLXSA-N 1 3 340.512 1.374 20 0 EDADHO CSCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263293937 139333721 /nfs/dbraw/zinc/33/37/21/139333721.db2.gz XIPPRMSCPCKNCO-AWEZNQCLSA-N 1 3 338.477 1.596 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000415679036 304254983 /nfs/dbraw/zinc/25/49/83/304254983.db2.gz OVHGFMLSEQLZNZ-DZGCQCFKSA-N 1 3 332.448 1.252 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1CN(C)C ZINC000415754669 304265913 /nfs/dbraw/zinc/26/59/13/304265913.db2.gz ZSJPHRFVWNSAOO-GDBMZVCRSA-N 1 3 344.459 1.063 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](CCCNC2CC(OCc3ccccc3)C2)C1 ZINC000493979448 255229358 /nfs/dbraw/zinc/22/93/58/255229358.db2.gz ZXFXRVQUXSRQDQ-VIQWUECVSA-N 1 3 345.487 1.911 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC2CC(OCc3ccccc3)C2)C1 ZINC000493979448 255229359 /nfs/dbraw/zinc/22/93/59/255229359.db2.gz ZXFXRVQUXSRQDQ-VIQWUECVSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496051898 255347022 /nfs/dbraw/zinc/34/70/22/255347022.db2.gz WEWZBOWXVNRWRD-CRAIPNDOSA-N 1 3 347.459 1.754 20 0 EDADHO C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561425 533371821 /nfs/dbraw/zinc/37/18/21/533371821.db2.gz KZXIYRIETPDTGF-IMJJTQAJSA-N 1 3 331.464 1.709 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000332366142 141169772 /nfs/dbraw/zinc/16/97/72/141169772.db2.gz YLHXTLDCARUAMU-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333344698 141302966 /nfs/dbraw/zinc/30/29/66/141302966.db2.gz QIGFRKMHJCGWSN-CJNGLKHVSA-N 1 3 330.432 1.869 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333344698 141302968 /nfs/dbraw/zinc/30/29/68/141302968.db2.gz QIGFRKMHJCGWSN-CJNGLKHVSA-N 1 3 330.432 1.869 20 0 EDADHO Cc1cc(=O)n2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)sc2n1 ZINC000333610016 141344412 /nfs/dbraw/zinc/34/44/12/141344412.db2.gz RVAUAAYFRRLOJM-GFCCVEGCSA-N 1 3 333.461 1.423 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011800 /nfs/dbraw/zinc/01/18/00/142011800.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 1 3 348.491 1.699 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011801 /nfs/dbraw/zinc/01/18/01/142011801.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 1 3 348.491 1.699 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C(F)F)CC2)CC1 ZINC000344708938 143001357 /nfs/dbraw/zinc/00/13/57/143001357.db2.gz LFIGWHJVZJJBFX-OAHLLOKOSA-N 1 3 344.450 1.984 20 0 EDADHO CC[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N(CC)CC ZINC000345286910 143073496 /nfs/dbraw/zinc/07/34/96/143073496.db2.gz FIILFAPJYOMVHC-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714697 143124778 /nfs/dbraw/zinc/12/47/78/143124778.db2.gz BNKBQNMDOCZNRB-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[NH+](C)C)CC2)c1 ZINC000346221298 143180307 /nfs/dbraw/zinc/18/03/07/143180307.db2.gz LHBQBXLYNJQEFD-QGZVFWFLSA-N 1 3 332.492 1.573 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347099247 143282476 /nfs/dbraw/zinc/28/24/76/143282476.db2.gz KPUJERGLIOEYAP-SFHVURJKSA-N 1 3 347.507 1.529 20 0 EDADHO C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147261 143287652 /nfs/dbraw/zinc/28/76/52/143287652.db2.gz MOIVXMUTRSTJEK-HOTGVXAUSA-N 1 3 325.497 1.412 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000416505672 304326265 /nfs/dbraw/zinc/32/62/65/304326265.db2.gz DXAUELDFMIKGQM-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000416505672 304326268 /nfs/dbraw/zinc/32/62/68/304326268.db2.gz DXAUELDFMIKGQM-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO COCCCN1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756465 155163554 /nfs/dbraw/zinc/16/35/54/155163554.db2.gz GEDOQSRDSTYKIE-QGZVFWFLSA-N 1 3 325.497 1.822 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000416843011 304351124 /nfs/dbraw/zinc/35/11/24/304351124.db2.gz OCVCQYBYOBLESH-SFHVURJKSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973845 304358710 /nfs/dbraw/zinc/35/87/10/304358710.db2.gz VYDRJFCZCDEDJO-WMLDXEAASA-N 1 3 334.464 1.424 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416973648 304358467 /nfs/dbraw/zinc/35/84/67/304358467.db2.gz JLSHJHVVDGXMQY-PBHICJAKSA-N 1 3 334.464 1.424 20 0 EDADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000354861529 150000528 /nfs/dbraw/zinc/00/05/28/150000528.db2.gz OOIKWOFESQCJJF-SFHVURJKSA-N 1 3 328.460 1.993 20 0 EDADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(C2CC2)C1=O ZINC000354861529 150000530 /nfs/dbraw/zinc/00/05/30/150000530.db2.gz OOIKWOFESQCJJF-SFHVURJKSA-N 1 3 328.460 1.993 20 0 EDADHO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000358046305 151246750 /nfs/dbraw/zinc/24/67/50/151246750.db2.gz YXWICDGUAILXNZ-LPHOPBHVSA-N 1 3 344.503 1.552 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000358266406 151321937 /nfs/dbraw/zinc/32/19/37/151321937.db2.gz PGVUHRRXTVJHCL-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)C2CC2)[C@@H](C)C1 ZINC000360855896 152230769 /nfs/dbraw/zinc/23/07/69/152230769.db2.gz FVUYXIJSRUUDLK-DOTOQJQBSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)C2CC2)[C@@H](C)C1 ZINC000360855896 152230770 /nfs/dbraw/zinc/23/07/70/152230770.db2.gz FVUYXIJSRUUDLK-DOTOQJQBSA-N 1 3 340.512 1.517 20 0 EDADHO [NH3+][C@@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148592 304378120 /nfs/dbraw/zinc/37/81/20/304378120.db2.gz HCWMRWURJCQGSQ-QGZVFWFLSA-N 1 3 345.491 1.331 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)N2CCN3CCC2CC3)c1 ZINC000367074318 154000577 /nfs/dbraw/zinc/00/05/77/154000577.db2.gz OKOIYVOLYSQYQR-UHFFFAOYSA-N 1 3 346.475 1.617 20 0 EDADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417305268 304391887 /nfs/dbraw/zinc/39/18/87/304391887.db2.gz ADHVIGGXQIAKCR-CEXWTWQISA-N 1 3 342.487 1.902 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H]1C ZINC000417480419 304399256 /nfs/dbraw/zinc/39/92/56/304399256.db2.gz MLXMUDSMMWUQPR-HZPDHXFCSA-N 1 3 348.491 1.909 20 0 EDADHO CC[NH2+]CCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417502153 304400632 /nfs/dbraw/zinc/40/06/32/304400632.db2.gz DATWAKFNCVYRLT-UHFFFAOYSA-N 1 3 334.464 1.052 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000364254699 292351567 /nfs/dbraw/zinc/35/15/67/292351567.db2.gz GLWKEAURXZTYNA-QGZVFWFLSA-N 1 3 342.528 1.717 20 0 EDADHO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374327083 157246168 /nfs/dbraw/zinc/24/61/68/157246168.db2.gz VBNPMJCVQRRSOG-QFBILLFUSA-N 1 3 345.487 1.931 20 0 EDADHO COC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374327083 157246176 /nfs/dbraw/zinc/24/61/76/157246176.db2.gz VBNPMJCVQRRSOG-QFBILLFUSA-N 1 3 345.487 1.931 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585105 157336605 /nfs/dbraw/zinc/33/66/05/157336605.db2.gz NUPVTVUSXINVKM-HKUYNNGSSA-N 1 3 345.487 1.769 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585105 157336607 /nfs/dbraw/zinc/33/66/07/157336607.db2.gz NUPVTVUSXINVKM-HKUYNNGSSA-N 1 3 345.487 1.769 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)C1 ZINC000378200730 158106708 /nfs/dbraw/zinc/10/67/08/158106708.db2.gz MGJZYAJBWLAPKT-ZWKOTPCHSA-N 1 3 330.476 1.315 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)C1 ZINC000378200730 158106710 /nfs/dbraw/zinc/10/67/10/158106710.db2.gz MGJZYAJBWLAPKT-ZWKOTPCHSA-N 1 3 330.476 1.315 20 0 EDADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378203417 158108018 /nfs/dbraw/zinc/10/80/18/158108018.db2.gz QURZIYYAGPLXNO-IAGOWNOFSA-N 1 3 338.540 1.816 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)no1 ZINC000378476456 158185379 /nfs/dbraw/zinc/18/53/79/158185379.db2.gz WFKRLFOPZZVZKE-HRCADAONSA-N 1 3 333.480 1.813 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)no1 ZINC000378476456 158185380 /nfs/dbraw/zinc/18/53/80/158185380.db2.gz WFKRLFOPZZVZKE-HRCADAONSA-N 1 3 333.480 1.813 20 0 EDADHO C[C@]1(C[NH3+])CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000417964036 304439401 /nfs/dbraw/zinc/43/94/01/304439401.db2.gz FLVAWVVBSYDRGO-GOSISDBHSA-N 1 3 331.464 1.678 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000418172775 304459220 /nfs/dbraw/zinc/45/92/20/304459220.db2.gz RVAXYHJAVKVNNU-MRXNPFEDSA-N 1 3 346.475 1.792 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175854 304459950 /nfs/dbraw/zinc/45/99/50/304459950.db2.gz WCQWUMLPUNUPDK-KGLIPLIRSA-N 1 3 334.464 1.695 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCn3ccnc3)CC2)CC1 ZINC000051674798 287221816 /nfs/dbraw/zinc/22/18/16/287221816.db2.gz XEOQAOBCBGWRCX-UHFFFAOYSA-N 1 3 348.495 1.131 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073717212 287263710 /nfs/dbraw/zinc/26/37/10/287263710.db2.gz PGXPOCODVHIHEP-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073717212 287263712 /nfs/dbraw/zinc/26/37/12/287263712.db2.gz PGXPOCODVHIHEP-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000166616463 226163885 /nfs/dbraw/zinc/16/38/85/226163885.db2.gz CJWHGQDKWPUUCM-LBPRGKRZSA-N 1 3 332.404 1.094 20 0 EDADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)CC1 ZINC000169207603 226235026 /nfs/dbraw/zinc/23/50/26/226235026.db2.gz XWUFTKFHPBBYSM-QZTJIDSGSA-N 1 3 346.475 1.126 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000418358370 304485435 /nfs/dbraw/zinc/48/54/35/304485435.db2.gz ZDDZOITZPCKKQK-JKSUJKDBSA-N 1 3 333.480 1.543 20 0 EDADHO COCC[N@H+](C)CCCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000122152446 222026088 /nfs/dbraw/zinc/02/60/88/222026088.db2.gz NSZSODGLRBFNOJ-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000122152446 222026097 /nfs/dbraw/zinc/02/60/97/222026097.db2.gz NSZSODGLRBFNOJ-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237280343 273008756 /nfs/dbraw/zinc/00/87/56/273008756.db2.gz BBELCSAUWNAOGM-QGZVFWFLSA-N 1 3 332.492 1.561 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(C)C ZINC000274320875 268124716 /nfs/dbraw/zinc/12/47/16/268124716.db2.gz APEGAJGVFUJUEO-RBUKOAKNSA-N 1 3 347.503 1.846 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(C)C ZINC000274320875 268124718 /nfs/dbraw/zinc/12/47/18/268124718.db2.gz APEGAJGVFUJUEO-RBUKOAKNSA-N 1 3 347.503 1.846 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274817308 268213475 /nfs/dbraw/zinc/21/34/75/268213475.db2.gz JASQXGGCSIFCGY-HHXXYDBFSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274817308 268213477 /nfs/dbraw/zinc/21/34/77/268213477.db2.gz JASQXGGCSIFCGY-HHXXYDBFSA-N 1 3 334.460 1.801 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)Nc1ccccc1CCN(C)C ZINC000275709846 268371077 /nfs/dbraw/zinc/37/10/77/268371077.db2.gz UNSXZULUHPNUQD-UHFFFAOYSA-N 1 3 336.480 1.881 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1CCN(C)C ZINC000275709846 268371078 /nfs/dbraw/zinc/37/10/78/268371078.db2.gz UNSXZULUHPNUQD-UHFFFAOYSA-N 1 3 336.480 1.881 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000359927263 276232107 /nfs/dbraw/zinc/23/21/07/276232107.db2.gz XDPWFDYEAHPJFS-DLBZAZTESA-N 1 3 342.528 1.499 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000359927263 276232108 /nfs/dbraw/zinc/23/21/08/276232108.db2.gz XDPWFDYEAHPJFS-DLBZAZTESA-N 1 3 342.528 1.499 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864301 277105057 /nfs/dbraw/zinc/10/50/57/277105057.db2.gz GNDOTXDJJRESPE-PKOBYXMFSA-N 1 3 348.466 1.183 20 0 EDADHO CN1CCN(CCCNC(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417015554 277105116 /nfs/dbraw/zinc/10/51/16/277105116.db2.gz HCHPHOWFBNEYFI-SFHVURJKSA-N 1 3 347.507 1.403 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000364850238 277611811 /nfs/dbraw/zinc/61/18/11/277611811.db2.gz KCAAMCFLNBLXJU-RDGPPVDQSA-N 1 3 348.535 1.534 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417021858 278171577 /nfs/dbraw/zinc/17/15/77/278171577.db2.gz NTPKXIIHQMPFDJ-AEFFLSMTSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023943 278182050 /nfs/dbraw/zinc/18/20/50/278182050.db2.gz PSYVLJRVTKDJKQ-SJLPKXTDSA-N 1 3 347.507 1.354 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418624339 278545844 /nfs/dbraw/zinc/54/58/44/278545844.db2.gz YYFCDOLPLKWKHU-JKSUJKDBSA-N 1 3 340.512 1.157 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000355707847 278942255 /nfs/dbraw/zinc/94/22/55/278942255.db2.gz GMKBIGHAYCQXHA-AEFFLSMTSA-N 1 3 338.540 1.780 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211403 288115559 /nfs/dbraw/zinc/11/55/59/288115559.db2.gz PUQDIUHDTWWXQR-QAPCUYQASA-N 1 3 327.472 1.907 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000175980973 279264156 /nfs/dbraw/zinc/26/41/56/279264156.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000175980973 279264157 /nfs/dbraw/zinc/26/41/57/279264157.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000271935184 279303039 /nfs/dbraw/zinc/30/30/39/279303039.db2.gz NQHMUSWORWDPNE-MRXNPFEDSA-N 1 3 334.464 1.584 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000271935184 279303040 /nfs/dbraw/zinc/30/30/40/279303040.db2.gz NQHMUSWORWDPNE-MRXNPFEDSA-N 1 3 334.464 1.584 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@H]1CSCCN1)[NH+]1CCC(C)CC1 ZINC000236726968 279839571 /nfs/dbraw/zinc/83/95/71/279839571.db2.gz WHDXKAATMHWLJJ-JKSUJKDBSA-N 1 3 327.538 1.954 20 0 EDADHO C[C@H]1[C@@H](N(C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050884 280098628 /nfs/dbraw/zinc/09/86/28/280098628.db2.gz SUGHBCALOFIHNI-LPHOPBHVSA-N 1 3 345.487 1.810 20 0 EDADHO Cc1ccc([C@H](N)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000262670124 280988895 /nfs/dbraw/zinc/98/88/95/280988895.db2.gz RFKYCUDTZFHGMO-IBGZPJMESA-N 1 3 344.503 1.670 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119498 /nfs/dbraw/zinc/11/94/98/289119498.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 1 3 342.487 1.998 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119500 /nfs/dbraw/zinc/11/95/00/289119500.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 1 3 342.487 1.998 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC[C@H]2C)CC1 ZINC000333136240 290275041 /nfs/dbraw/zinc/27/50/41/290275041.db2.gz CIZUMIFDZNCTLO-HUUCEWRRSA-N 1 3 331.464 1.610 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770621 295202376 /nfs/dbraw/zinc/20/23/76/295202376.db2.gz DQMIXTXJAUIBDX-BZSNNMDCSA-N 1 3 325.456 1.425 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770621 295202377 /nfs/dbraw/zinc/20/23/77/295202377.db2.gz DQMIXTXJAUIBDX-BZSNNMDCSA-N 1 3 325.456 1.425 20 0 EDADHO COCC1(CNC(=O)N(CCN(C)C)CC(C)C)CC[NH2+]CC1 ZINC000418636452 304523004 /nfs/dbraw/zinc/52/30/04/304523004.db2.gz HEYKCKMLHVSTHL-UHFFFAOYSA-N 1 3 328.501 1.232 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419228075 304579058 /nfs/dbraw/zinc/57/90/58/304579058.db2.gz GGMZYOFDWNWGFU-QGZVFWFLSA-N 1 3 346.475 1.183 20 0 EDADHO [NH3+]CC1(O)CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000420409152 304756293 /nfs/dbraw/zinc/75/62/93/304756293.db2.gz XYPNJDUAGSWYNC-UHFFFAOYSA-N 1 3 336.823 1.718 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414871510 447336148 /nfs/dbraw/zinc/33/61/48/447336148.db2.gz OBFNWUNSFZAVIR-OAHLLOKOSA-N 1 3 344.459 1.289 20 0 EDADHO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000304304842 303752457 /nfs/dbraw/zinc/75/24/57/303752457.db2.gz IXJOBAMADKEKJX-SJORKVTESA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H](NC[C@H](O)COc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000422940028 304880666 /nfs/dbraw/zinc/88/06/66/304880666.db2.gz MXBVZFLCJSSFQT-XQQFMLRXSA-N 1 3 343.265 1.776 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423233252 304890185 /nfs/dbraw/zinc/89/01/85/304890185.db2.gz DFPCSJCARSBTEO-KRWDZBQOSA-N 1 3 346.475 1.046 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423313791 304892283 /nfs/dbraw/zinc/89/22/83/304892283.db2.gz UWCQNXAVOCCADG-SFHVURJKSA-N 1 3 341.459 1.799 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000423379434 304894076 /nfs/dbraw/zinc/89/40/76/304894076.db2.gz LVMOHAWYFWXPEQ-CQSZACIVSA-N 1 3 344.463 1.486 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000423425955 304895656 /nfs/dbraw/zinc/89/56/56/304895656.db2.gz DTCOMWPHFFNNED-HNAYVOBHSA-N 1 3 345.487 1.648 20 0 EDADHO O=C(CN1CCC([NH2+]CC2CC2)CC1)NC1CCN(C2CC2)CC1 ZINC000430544939 305056003 /nfs/dbraw/zinc/05/60/03/305056003.db2.gz PIOOWTHCWDBXGA-UHFFFAOYSA-N 1 3 334.508 1.193 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000430704680 305062816 /nfs/dbraw/zinc/06/28/16/305062816.db2.gz IYECOPWPWZFWPA-SJORKVTESA-N 1 3 331.460 1.905 20 0 EDADHO CC(C)(C[NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000431007166 305072547 /nfs/dbraw/zinc/07/25/47/305072547.db2.gz UGZNXXBIHWKSCD-UHFFFAOYSA-N 1 3 332.492 1.690 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431015217 305072967 /nfs/dbraw/zinc/07/29/67/305072967.db2.gz SNALIUHFXQNBAL-ROUUACIJSA-N 1 3 338.540 1.818 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104767 /nfs/dbraw/zinc/10/47/67/305104767.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104768 /nfs/dbraw/zinc/10/47/68/305104768.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000434887901 305132446 /nfs/dbraw/zinc/13/24/46/305132446.db2.gz QQYCFAPVEMLLOS-ZDUSSCGKSA-N 1 3 329.510 1.087 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000436300854 305155560 /nfs/dbraw/zinc/15/55/60/305155560.db2.gz LFWKPTXNNVGVGW-ZMSDIMECSA-N 1 3 333.476 1.672 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660701348 453525886 /nfs/dbraw/zinc/52/58/86/453525886.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660701348 453525894 /nfs/dbraw/zinc/52/58/94/453525894.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000440171646 305204341 /nfs/dbraw/zinc/20/43/41/305204341.db2.gz BCPMZNARNHECRV-KRWDZBQOSA-N 1 3 333.480 1.725 20 0 EDADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCNc1ccncc1 ZINC000440171646 305204342 /nfs/dbraw/zinc/20/43/42/305204342.db2.gz BCPMZNARNHECRV-KRWDZBQOSA-N 1 3 333.480 1.725 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440979876 305215354 /nfs/dbraw/zinc/21/53/54/305215354.db2.gz MHTPURSQVZAJCJ-UHFFFAOYSA-N 1 3 339.528 1.184 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000443673573 305240878 /nfs/dbraw/zinc/24/08/78/305240878.db2.gz ICZGFIOVQBVYLT-YESZJQIVSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000443673573 305240879 /nfs/dbraw/zinc/24/08/79/305240879.db2.gz ICZGFIOVQBVYLT-YESZJQIVSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[C@H](F)CN1 ZINC000446366076 305263914 /nfs/dbraw/zinc/26/39/14/305263914.db2.gz FQASRCLPJPXTBZ-DOTOQJQBSA-N 1 3 335.423 1.477 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253064 305294540 /nfs/dbraw/zinc/29/45/40/305294540.db2.gz VIJHWMYNYHZRJA-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]CCN2CCCC2(C)C)CC1 ZINC000449778263 305318778 /nfs/dbraw/zinc/31/87/78/305318778.db2.gz BEKPQAWLOCEWTG-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000471656060 305538094 /nfs/dbraw/zinc/53/80/94/305538094.db2.gz AFATZPWCEGDIHF-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO c1cc2c(cc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000518959774 305765329 /nfs/dbraw/zinc/76/53/29/305765329.db2.gz JSTRDSBKKMFTGJ-YESZJQIVSA-N 1 3 332.444 1.747 20 0 EDADHO COCc1cccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000524903710 305820996 /nfs/dbraw/zinc/82/09/96/305820996.db2.gz ANSCYFRCOYSFBW-UHFFFAOYSA-N 1 3 336.480 1.468 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000541893932 306049107 /nfs/dbraw/zinc/04/91/07/306049107.db2.gz LVOIKLBKRPQALW-OAHLLOKOSA-N 1 3 338.496 1.171 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccon1 ZINC000543475955 306064122 /nfs/dbraw/zinc/06/41/22/306064122.db2.gz SYZCZKRWOFICGN-CYBMUJFWSA-N 1 3 335.452 1.593 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000544587834 306077053 /nfs/dbraw/zinc/07/70/53/306077053.db2.gz KMQORRXVKZTILL-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135835 306224940 /nfs/dbraw/zinc/22/49/40/306224940.db2.gz SVUXCCGKBKTFGC-MKXGPGLRSA-N 1 3 342.487 1.948 20 0 EDADHO COCC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665146379 453588992 /nfs/dbraw/zinc/58/89/92/453588992.db2.gz WOMFSEFKMRVMDZ-GTPINHCMSA-N 1 3 342.528 1.763 20 0 EDADHO COCC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665146379 453588996 /nfs/dbraw/zinc/58/89/96/453588996.db2.gz WOMFSEFKMRVMDZ-GTPINHCMSA-N 1 3 342.528 1.763 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244587 447420672 /nfs/dbraw/zinc/42/06/72/447420672.db2.gz MGWJIZQSHJBVFM-JCYILVPMSA-N 1 3 340.512 1.611 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000458637592 447435047 /nfs/dbraw/zinc/43/50/47/447435047.db2.gz GAFSOEYPZSWNRZ-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000458637592 447435052 /nfs/dbraw/zinc/43/50/52/447435052.db2.gz GAFSOEYPZSWNRZ-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000458637592 447435056 /nfs/dbraw/zinc/43/50/56/447435056.db2.gz GAFSOEYPZSWNRZ-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105193210 441241769 /nfs/dbraw/zinc/24/17/69/441241769.db2.gz ZHGANNDGEVROTD-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105193210 441241770 /nfs/dbraw/zinc/24/17/70/441241770.db2.gz ZHGANNDGEVROTD-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCCCC1 ZINC000073243107 441303973 /nfs/dbraw/zinc/30/39/73/441303973.db2.gz LAMMMRVJVCHUPX-QGZVFWFLSA-N 1 3 339.524 1.946 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(O)CCCCC1 ZINC000073243107 441303978 /nfs/dbraw/zinc/30/39/78/441303978.db2.gz LAMMMRVJVCHUPX-QGZVFWFLSA-N 1 3 339.524 1.946 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000050802646 441390557 /nfs/dbraw/zinc/39/05/57/441390557.db2.gz NEIRYTHDMMCLCG-UHFFFAOYSA-N 1 3 344.459 1.074 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000085362916 441433885 /nfs/dbraw/zinc/43/38/85/441433885.db2.gz SWUFXJCSYURAIM-HOTGVXAUSA-N 1 3 341.544 1.145 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511185 441536055 /nfs/dbraw/zinc/53/60/55/441536055.db2.gz MTBWVNQMYBVTEL-QGZVFWFLSA-N 1 3 331.464 1.788 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)CC)[C@@H](C)C1 ZINC000115811773 441781200 /nfs/dbraw/zinc/78/12/00/441781200.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NCCN(C)CC)[C@@H](C)C1 ZINC000115811773 441781204 /nfs/dbraw/zinc/78/12/04/441781204.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO CCn1nc(C)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000092615660 441813840 /nfs/dbraw/zinc/81/38/40/441813840.db2.gz DGNUKWCWHSXLIU-UHFFFAOYSA-N 1 3 335.496 1.410 20 0 EDADHO C[C@H](Cc1ccsc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077785601 441860034 /nfs/dbraw/zinc/86/00/34/441860034.db2.gz RVUMRRAOQOIJJM-CQSZACIVSA-N 1 3 326.510 1.814 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000077751939 441847433 /nfs/dbraw/zinc/84/74/33/441847433.db2.gz KFIXDKJOOHZFHP-MRXNPFEDSA-N 1 3 334.464 1.045 20 0 EDADHO CC(=O)NC1CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000161859352 442038125 /nfs/dbraw/zinc/03/81/25/442038125.db2.gz BQYQKIBWQCENIW-MHJFOBGBSA-N 1 3 345.487 1.790 20 0 EDADHO COCCN(C)CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175634156 442096548 /nfs/dbraw/zinc/09/65/48/442096548.db2.gz QHBPSKBYNMAKCS-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCCN1C ZINC000176085167 442173037 /nfs/dbraw/zinc/17/30/37/442173037.db2.gz AWFLHPRNJQBKTQ-OAHLLOKOSA-N 1 3 332.448 1.206 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000176088209 442173694 /nfs/dbraw/zinc/17/36/94/442173694.db2.gz REYYSBLJKUVRHV-UHFFFAOYSA-N 1 3 346.475 1.453 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3cccnc3)CC2)CC1 ZINC000127479815 442206502 /nfs/dbraw/zinc/20/65/02/442206502.db2.gz XVAWOVDJEYUQPR-UHFFFAOYSA-N 1 3 345.491 1.482 20 0 EDADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000166554289 442216976 /nfs/dbraw/zinc/21/69/76/442216976.db2.gz LZZOPOPSMYSTRY-KRWDZBQOSA-N 1 3 330.476 1.689 20 0 EDADHO O=C(C[NH2+]CC1CC1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000166932021 442219149 /nfs/dbraw/zinc/21/91/49/442219149.db2.gz XLDBPWKEDJMFND-UHFFFAOYSA-N 1 3 331.460 1.829 20 0 EDADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)CC2 ZINC000168907603 442225414 /nfs/dbraw/zinc/22/54/14/442225414.db2.gz IADCDQQEQWMRAM-FQEVSTJZSA-N 1 3 347.503 1.662 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128083858 442243919 /nfs/dbraw/zinc/24/39/19/442243919.db2.gz CMHPFSJESFSQOO-HOCLYGCPSA-N 1 3 347.459 1.696 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000128510153 442271225 /nfs/dbraw/zinc/27/12/25/442271225.db2.gz HEFBHJMCUKJMKJ-ZWKOTPCHSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000128510153 442271227 /nfs/dbraw/zinc/27/12/27/442271227.db2.gz HEFBHJMCUKJMKJ-ZWKOTPCHSA-N 1 3 344.503 1.798 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000153737480 442299651 /nfs/dbraw/zinc/29/96/51/442299651.db2.gz QGORNEJDDAAASH-HNNXBMFYSA-N 1 3 332.448 1.145 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000153737480 442299653 /nfs/dbraw/zinc/29/96/53/442299653.db2.gz QGORNEJDDAAASH-HNNXBMFYSA-N 1 3 332.448 1.145 20 0 EDADHO Cc1cccc(F)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130550631 442349084 /nfs/dbraw/zinc/34/90/84/442349084.db2.gz SPMWEILIMBVAOV-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO CN1CCCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132238928 442389338 /nfs/dbraw/zinc/38/93/38/442389338.db2.gz UPSHLDMPCNYZIV-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000177551768 442356840 /nfs/dbraw/zinc/35/68/40/442356840.db2.gz GPKOLCUCDPORTQ-HNNXBMFYSA-N 1 3 336.484 1.640 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000177551768 442356844 /nfs/dbraw/zinc/35/68/44/442356844.db2.gz GPKOLCUCDPORTQ-HNNXBMFYSA-N 1 3 336.484 1.640 20 0 EDADHO CN(CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000172583606 442496160 /nfs/dbraw/zinc/49/61/60/442496160.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 1 3 346.475 1.676 20 0 EDADHO CN(CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172583606 442496164 /nfs/dbraw/zinc/49/61/64/442496164.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 1 3 346.475 1.676 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000178856697 442505413 /nfs/dbraw/zinc/50/54/13/442505413.db2.gz SWSKSFAPFJGEDB-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cc(CNC(=O)[C@H]2CCCC[NH2+]2)ccc1OCCN(C)C ZINC000178720113 442462274 /nfs/dbraw/zinc/46/22/74/442462274.db2.gz WKFHOAKJYJTBLD-OAHLLOKOSA-N 1 3 335.448 1.394 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179190063 442594112 /nfs/dbraw/zinc/59/41/12/442594112.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179190063 442594116 /nfs/dbraw/zinc/59/41/16/442594116.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 1 3 348.491 1.699 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCCCO)CC2)CC1 ZINC000180698765 442649845 /nfs/dbraw/zinc/64/98/45/442649845.db2.gz RKKPJRVHEZLBGK-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccnc(OCCN(C)C)c1)[N@H+](C)C1CC1 ZINC000135653369 442623515 /nfs/dbraw/zinc/62/35/15/442623515.db2.gz DWOKZTZQBFOHRH-AWEZNQCLSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccnc(OCCN(C)C)c1)[N@@H+](C)C1CC1 ZINC000135653369 442623522 /nfs/dbraw/zinc/62/35/22/442623522.db2.gz DWOKZTZQBFOHRH-AWEZNQCLSA-N 1 3 349.479 1.304 20 0 EDADHO CSCC[C@@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000157922712 442628199 /nfs/dbraw/zinc/62/81/99/442628199.db2.gz ZAETUIPBPYEYFO-XJKSGUPXSA-N 1 3 336.505 1.804 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000193002167 442704352 /nfs/dbraw/zinc/70/43/52/442704352.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 1 3 344.503 1.693 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193002167 442704357 /nfs/dbraw/zinc/70/43/57/442704357.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 1 3 344.503 1.693 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246335384 442773584 /nfs/dbraw/zinc/77/35/84/442773584.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246335384 442773589 /nfs/dbraw/zinc/77/35/89/442773589.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268002851 442814298 /nfs/dbraw/zinc/81/42/98/442814298.db2.gz NWNAYHAFIAXCFO-SJORKVTESA-N 1 3 334.464 1.980 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268002851 442814302 /nfs/dbraw/zinc/81/43/02/442814302.db2.gz NWNAYHAFIAXCFO-SJORKVTESA-N 1 3 334.464 1.980 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616076 442907952 /nfs/dbraw/zinc/90/79/52/442907952.db2.gz YYGPGKRGRGNUJN-PBWTXFEYSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616076 442907958 /nfs/dbraw/zinc/90/79/58/442907958.db2.gz YYGPGKRGRGNUJN-PBWTXFEYSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCCN(C2CCC2)C1 ZINC000248616076 442907963 /nfs/dbraw/zinc/90/79/63/442907963.db2.gz YYGPGKRGRGNUJN-PBWTXFEYSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812434 443115952 /nfs/dbraw/zinc/11/59/52/443115952.db2.gz FHENGVSVUPXUAL-PBHICJAKSA-N 1 3 333.432 1.751 20 0 EDADHO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@H]1C ZINC000262864998 443215535 /nfs/dbraw/zinc/21/55/35/443215535.db2.gz ULWSLOZOYKFVMM-HOTGVXAUSA-N 1 3 330.476 1.256 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738352 319125195 /nfs/dbraw/zinc/12/51/95/319125195.db2.gz KSQRXPRUJKQIEV-XLIONFOSSA-N 1 3 345.487 1.736 20 0 EDADHO C[NH+](C)CC1(C(=O)N[C@@H](CO)CN2CCCCC2)CCCCC1 ZINC000413821795 319292045 /nfs/dbraw/zinc/29/20/45/319292045.db2.gz SKUKRXLZLAFQIZ-MRXNPFEDSA-N 1 3 325.497 1.462 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000266853808 443267760 /nfs/dbraw/zinc/26/77/60/443267760.db2.gz RZWUSDZYWQKLCM-IBGZPJMESA-N 1 3 344.503 1.670 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416813442 319462651 /nfs/dbraw/zinc/46/26/51/319462651.db2.gz UMNQUBGSLOKMGK-FGTMMUONSA-N 1 3 330.476 1.930 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827680 319464864 /nfs/dbraw/zinc/46/48/64/319464864.db2.gz RJWYOCCWPBLNBC-YJBOKZPZSA-N 1 3 346.475 1.741 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418420955 319500821 /nfs/dbraw/zinc/50/08/21/319500821.db2.gz ZUFVSDVINXHUII-DLBZAZTESA-N 1 3 339.528 1.173 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269690565 443398325 /nfs/dbraw/zinc/39/83/25/443398325.db2.gz WPBDAJAWCMYTJA-KMFMINBZSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269690565 443398329 /nfs/dbraw/zinc/39/83/29/443398329.db2.gz WPBDAJAWCMYTJA-KMFMINBZSA-N 1 3 346.475 1.696 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980371 443480916 /nfs/dbraw/zinc/48/09/16/443480916.db2.gz JXLMPYRWKBNVPD-YOEHRIQHSA-N 1 3 327.432 1.519 20 0 EDADHO C[C@@H](C[NH3+])N[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423368847 319768050 /nfs/dbraw/zinc/76/80/50/319768050.db2.gz NRULQTIOUHDPLS-LRDDRELGSA-N 1 3 338.883 1.515 20 0 EDADHO CN(C)C1(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)Cc2ccccc2C1 ZINC000423421803 319773908 /nfs/dbraw/zinc/77/39/08/319773908.db2.gz KMFKQAMMTUSYPC-KRWDZBQOSA-N 1 3 329.488 1.980 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000423749831 319810123 /nfs/dbraw/zinc/81/01/23/319810123.db2.gz CIHUWCCOOVZEDO-SFHVURJKSA-N 1 3 345.487 1.631 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000457584341 320329463 /nfs/dbraw/zinc/32/94/63/320329463.db2.gz TXOZJCHKCXZOAX-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)NC(=O)C1CCCC1 ZINC000531118662 320649455 /nfs/dbraw/zinc/64/94/55/320649455.db2.gz XJYXMMKEWZXBIJ-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OCCCO2 ZINC000531357878 320656763 /nfs/dbraw/zinc/65/67/63/320656763.db2.gz JNPIFJATJOJYJO-UHFFFAOYSA-N 1 3 335.448 1.413 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161344 443923573 /nfs/dbraw/zinc/92/35/73/443923573.db2.gz XBROUTKPVBULKA-BLGFXRMMSA-N 1 3 332.492 1.913 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161344 443923578 /nfs/dbraw/zinc/92/35/78/443923578.db2.gz XBROUTKPVBULKA-BLGFXRMMSA-N 1 3 332.492 1.913 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000299516607 444067647 /nfs/dbraw/zinc/06/76/47/444067647.db2.gz WIJNPIYWUYORCX-UHFFFAOYSA-N 1 3 346.519 1.964 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC000299516607 444067649 /nfs/dbraw/zinc/06/76/49/444067649.db2.gz WIJNPIYWUYORCX-UHFFFAOYSA-N 1 3 346.519 1.964 20 0 EDADHO NS(=O)(=O)CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285727446 444087513 /nfs/dbraw/zinc/08/75/13/444087513.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 1 3 337.489 1.263 20 0 EDADHO NS(=O)(=O)CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285727446 444087517 /nfs/dbraw/zinc/08/75/17/444087517.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 1 3 337.489 1.263 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CCN(C)C ZINC000562915506 321081265 /nfs/dbraw/zinc/08/12/65/321081265.db2.gz QFFLUPGKPHMIHB-LSDHHAIUSA-N 1 3 334.468 1.535 20 0 EDADHO CN(C)CCN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563369753 321106144 /nfs/dbraw/zinc/10/61/44/321106144.db2.gz OKVXMGIZNFMLGW-UHFFFAOYSA-N 1 3 332.492 1.110 20 0 EDADHO CNC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563932222 321116087 /nfs/dbraw/zinc/11/60/87/321116087.db2.gz VCWMABJCIPPLBS-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116714 321217625 /nfs/dbraw/zinc/21/76/25/321217625.db2.gz KKQKUOFHYNZFOI-WMZOPIPTSA-N 1 3 334.460 1.517 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000566205882 321222276 /nfs/dbraw/zinc/22/22/76/321222276.db2.gz JBXICMHKUUZGNB-NSHDSACASA-N 1 3 333.310 1.383 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCSC1 ZINC000566795338 321233826 /nfs/dbraw/zinc/23/38/26/321233826.db2.gz LKBDVFGHJPZTKA-FUHWJXTLSA-N 1 3 348.516 1.691 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000567522650 321244653 /nfs/dbraw/zinc/24/46/53/321244653.db2.gz WPCAUWRCBHEEAX-QZTJIDSGSA-N 1 3 332.492 1.928 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000567647027 321250566 /nfs/dbraw/zinc/25/05/66/321250566.db2.gz LWLROALLXWNKRT-KFWWJZLASA-N 1 3 334.464 1.361 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2NCc1ccc(C[NH3+])cc1 ZINC000567894655 321266803 /nfs/dbraw/zinc/26/68/03/321266803.db2.gz MFJQDGKEVCQZMW-GOSISDBHSA-N 1 3 345.468 1.960 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567983116 321271398 /nfs/dbraw/zinc/27/13/98/321271398.db2.gz OZCHNQVBQXHFSC-PXNSSMCTSA-N 1 3 344.503 1.060 20 0 EDADHO CC[C@@H](O)[C@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568293903 321287048 /nfs/dbraw/zinc/28/70/48/321287048.db2.gz WYAAQYYDAVMQST-ZWKOTPCHSA-N 1 3 339.524 1.848 20 0 EDADHO COc1cc(N[C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570910 321348989 /nfs/dbraw/zinc/34/89/89/321348989.db2.gz NXAFCUIJMUEQCJ-MRXNPFEDSA-N 1 3 348.491 1.485 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000570770051 321356395 /nfs/dbraw/zinc/35/63/95/321356395.db2.gz ALORFSWOZYMJTM-UHFFFAOYSA-N 1 3 333.480 1.918 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000572056742 321412507 /nfs/dbraw/zinc/41/25/07/321412507.db2.gz ZFXVXYLFWBRURL-HZPDHXFCSA-N 1 3 349.523 1.931 20 0 EDADHO CN(C)C[C@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573336313 321449830 /nfs/dbraw/zinc/44/98/30/321449830.db2.gz LWTCYQOKJIAEAN-CVEARBPZSA-N 1 3 325.522 1.757 20 0 EDADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000296063245 444201992 /nfs/dbraw/zinc/20/19/92/444201992.db2.gz WBMIACVQXLLNOV-OHRKKDJYSA-N 1 3 337.489 1.871 20 0 EDADHO C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000304316006 444246601 /nfs/dbraw/zinc/24/66/01/444246601.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 1 3 347.503 1.133 20 0 EDADHO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000304316006 444246602 /nfs/dbraw/zinc/24/66/02/444246602.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 1 3 347.503 1.133 20 0 EDADHO CO[C@@H](CN)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000290063186 444237362 /nfs/dbraw/zinc/23/73/62/444237362.db2.gz UUQOCFFVBUFQOT-KGLIPLIRSA-N 1 3 325.478 1.611 20 0 EDADHO CO[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000290063186 444237364 /nfs/dbraw/zinc/23/73/64/444237364.db2.gz UUQOCFFVBUFQOT-KGLIPLIRSA-N 1 3 325.478 1.611 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000577731585 321677444 /nfs/dbraw/zinc/67/74/44/321677444.db2.gz IARCIXBNCKMNKJ-AWEZNQCLSA-N 1 3 343.406 1.845 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)cc1 ZINC000578207343 321738906 /nfs/dbraw/zinc/73/89/06/321738906.db2.gz UCXLSLJTIWSRQD-LSDHHAIUSA-N 1 3 346.475 1.881 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000337692479 444355823 /nfs/dbraw/zinc/35/58/23/444355823.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000337692479 444355826 /nfs/dbraw/zinc/35/58/26/444355826.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079130 322007129 /nfs/dbraw/zinc/00/71/29/322007129.db2.gz JMGQKDRKSHJGDJ-QUCCMNQESA-N 1 3 342.487 1.896 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000338044546 444498117 /nfs/dbraw/zinc/49/81/17/444498117.db2.gz BSDUEGFFXQLXQX-KZNAEPCWSA-N 1 3 338.540 1.497 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000580420798 322048085 /nfs/dbraw/zinc/04/80/85/322048085.db2.gz QVWJKYZCVWRFBE-YJBOKZPZSA-N 1 3 328.460 1.868 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332596365 444521632 /nfs/dbraw/zinc/52/16/32/444521632.db2.gz HVNGCYPKWPLMDE-QKPAOTATSA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000332596365 444521634 /nfs/dbraw/zinc/52/16/34/444521634.db2.gz HVNGCYPKWPLMDE-QKPAOTATSA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000332596365 444521638 /nfs/dbraw/zinc/52/16/38/444521638.db2.gz HVNGCYPKWPLMDE-QKPAOTATSA-N 1 3 329.510 1.311 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341012109 444631191 /nfs/dbraw/zinc/63/11/91/444631191.db2.gz HPUSPGYWPZTRAG-ULQDDVLXSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341012109 444631195 /nfs/dbraw/zinc/63/11/95/444631195.db2.gz HPUSPGYWPZTRAG-ULQDDVLXSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344032318 444740021 /nfs/dbraw/zinc/74/00/21/444740021.db2.gz PUUJZAPHOLVOGQ-IAGOWNOFSA-N 1 3 326.529 1.497 20 0 EDADHO C[C@@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000341289093 444763672 /nfs/dbraw/zinc/76/36/72/444763672.db2.gz OQLKIYWXSUMTMH-SFHVURJKSA-N 1 3 346.519 1.903 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000341438380 444832444 /nfs/dbraw/zinc/83/24/44/444832444.db2.gz ZQIPFUYCRLDRFL-CQSZACIVSA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000341438380 444832446 /nfs/dbraw/zinc/83/24/46/444832446.db2.gz ZQIPFUYCRLDRFL-CQSZACIVSA-N 1 3 340.512 1.658 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000343086933 445052077 /nfs/dbraw/zinc/05/20/77/445052077.db2.gz XKPFLWGATRCQFD-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547857 445149009 /nfs/dbraw/zinc/14/90/09/445149009.db2.gz VOVRBHZETIOGGA-KYJSFNMBSA-N 1 3 334.508 1.842 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346225544 445208883 /nfs/dbraw/zinc/20/88/83/445208883.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346225544 445208884 /nfs/dbraw/zinc/20/88/84/445208884.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734945 445197834 /nfs/dbraw/zinc/19/78/34/445197834.db2.gz COFWFZVEODAFDP-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734945 445197836 /nfs/dbraw/zinc/19/78/36/445197836.db2.gz COFWFZVEODAFDP-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348102379 445268794 /nfs/dbraw/zinc/26/87/94/445268794.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348102379 445268797 /nfs/dbraw/zinc/26/87/97/445268797.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 1 3 337.487 1.749 20 0 EDADHO CC1CCN(CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000354669256 445333427 /nfs/dbraw/zinc/33/34/27/445333427.db2.gz KIXUQLAFKMFCIW-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO C[NH+](C)CCCC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000362653760 445480786 /nfs/dbraw/zinc/48/07/86/445480786.db2.gz BCHCUVWVZLQIRT-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1n[nH]cc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348895139 445432435 /nfs/dbraw/zinc/43/24/35/445432435.db2.gz PQIJLAJIKKZBBF-UHFFFAOYSA-N 1 3 333.480 1.532 20 0 EDADHO Cn1nnc2cc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)ccc21 ZINC000349034832 445483143 /nfs/dbraw/zinc/48/31/43/445483143.db2.gz GIKAISKQPLKFDR-UHFFFAOYSA-N 1 3 342.491 1.428 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)CCOC3CNC3)cc2)CC1 ZINC000348990632 445468033 /nfs/dbraw/zinc/46/80/33/445468033.db2.gz MBSHLFLDTAWKOI-UHFFFAOYSA-N 1 3 345.487 1.913 20 0 EDADHO O=C(CCOC1CNC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000348995915 445469956 /nfs/dbraw/zinc/46/99/56/445469956.db2.gz WIHTYLDHOQHDRF-UHFFFAOYSA-N 1 3 331.460 1.188 20 0 EDADHO CC(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000348999653 445471361 /nfs/dbraw/zinc/47/13/61/445471361.db2.gz MMSDYHGSOJZLKZ-LJQANCHMSA-N 1 3 345.487 1.564 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870508 445589570 /nfs/dbraw/zinc/58/95/70/445589570.db2.gz DPGWEVLDJLGUKX-MOPGFXCFSA-N 1 3 343.471 1.875 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543861 /nfs/dbraw/zinc/54/38/61/445543861.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543865 /nfs/dbraw/zinc/54/38/65/445543865.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 1 3 345.491 1.687 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481907 445622577 /nfs/dbraw/zinc/62/25/77/445622577.db2.gz LAWZAVPYVFATON-UONOGXRCSA-N 1 3 329.366 1.857 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481907 445622582 /nfs/dbraw/zinc/62/25/82/445622582.db2.gz LAWZAVPYVFATON-UONOGXRCSA-N 1 3 329.366 1.857 20 0 EDADHO COCc1ccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358517881 445628264 /nfs/dbraw/zinc/62/82/64/445628264.db2.gz PZARZKLBJUBIEJ-UHFFFAOYSA-N 1 3 331.460 1.525 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000360249292 445656362 /nfs/dbraw/zinc/65/63/62/445656362.db2.gz KPXWKCKTCOIALJ-QGZVFWFLSA-N 1 3 342.553 1.843 20 0 EDADHO CC(C)[C@H]1C[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)CCO1 ZINC000353671405 445701986 /nfs/dbraw/zinc/70/19/86/445701986.db2.gz KDFXEIUXKICWBO-IAGOWNOFSA-N 1 3 325.497 1.772 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(=O)NC)CC2)CC1 ZINC000349768069 445672260 /nfs/dbraw/zinc/67/22/60/445672260.db2.gz MOLMTIRJKLCDFO-UHFFFAOYSA-N 1 3 344.503 1.787 20 0 EDADHO COCC1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000358851331 445810331 /nfs/dbraw/zinc/81/03/31/445810331.db2.gz TXYKKSNCCDAQOG-KRWDZBQOSA-N 1 3 333.476 1.292 20 0 EDADHO CN1CC[NH+](C[C@H]2CCCN(C[C@H](O)COc3ccccc3)C2)CC1 ZINC000363455446 445811599 /nfs/dbraw/zinc/81/15/99/445811599.db2.gz DDYXGHTYXQGYCT-MOPGFXCFSA-N 1 3 347.503 1.386 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354087358 445894243 /nfs/dbraw/zinc/89/42/43/445894243.db2.gz ZQEVVQGYQWCYCL-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354087358 445894246 /nfs/dbraw/zinc/89/42/46/445894246.db2.gz ZQEVVQGYQWCYCL-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)CCCO1 ZINC000372965929 445949048 /nfs/dbraw/zinc/94/90/48/445949048.db2.gz FDVBHQJXWONJLF-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)CCCO1 ZINC000372965929 445949054 /nfs/dbraw/zinc/94/90/54/445949054.db2.gz FDVBHQJXWONJLF-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO CC1(CNC(=O)c2cnn(CCN3CCCCC3)c2)CC[NH2+]CC1 ZINC000373065036 446002855 /nfs/dbraw/zinc/00/28/55/446002855.db2.gz CXMJDKPRWXEJJC-UHFFFAOYSA-N 1 3 333.480 1.489 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000583021610 325982129 /nfs/dbraw/zinc/98/21/29/325982129.db2.gz HYJBAGUEYKIGFU-MSOLQXFVSA-N 1 3 333.476 1.676 20 0 EDADHO C[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000583084139 325996749 /nfs/dbraw/zinc/99/67/49/325996749.db2.gz YGSZABIIYZDMBC-IAOVAPTHSA-N 1 3 342.447 1.236 20 0 EDADHO C[N@H+](C[C@@H]1CC12CCN(CCN1C(=O)NC(C)(C)C1=O)CC2)C1CC1 ZINC000374299520 446361032 /nfs/dbraw/zinc/36/10/32/446361032.db2.gz YIWMYWZMLPLYND-AWEZNQCLSA-N 1 3 348.491 1.513 20 0 EDADHO C[N@@H+](C[C@@H]1CC12CCN(CCN1C(=O)NC(C)(C)C1=O)CC2)C1CC1 ZINC000374299520 446361034 /nfs/dbraw/zinc/36/10/34/446361034.db2.gz YIWMYWZMLPLYND-AWEZNQCLSA-N 1 3 348.491 1.513 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365877340 446383646 /nfs/dbraw/zinc/38/36/46/446383646.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365877340 446383649 /nfs/dbraw/zinc/38/36/49/446383649.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCc2nccn21 ZINC000365882917 446387292 /nfs/dbraw/zinc/38/72/92/446387292.db2.gz FMURFTVTJXOQMV-INIZCTEOSA-N 1 3 333.480 1.245 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000417941026 446392936 /nfs/dbraw/zinc/39/29/36/446392936.db2.gz ADUOZKYFEMCUOU-HOTGVXAUSA-N 1 3 349.479 1.339 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1CN(C)C ZINC000411229701 446431989 /nfs/dbraw/zinc/43/19/89/446431989.db2.gz VGNXRVKFHQNGIH-OAHLLOKOSA-N 1 3 346.475 1.405 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411129894 446405586 /nfs/dbraw/zinc/40/55/86/446405586.db2.gz GTLDUXSMZBMZJU-OAHLLOKOSA-N 1 3 348.491 1.842 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988122 446409092 /nfs/dbraw/zinc/40/90/92/446409092.db2.gz RNXHUBPHFTYVHD-APWZRJJASA-N 1 3 330.476 1.902 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417995592 446410519 /nfs/dbraw/zinc/41/05/19/446410519.db2.gz QGLHJLFSRYTXRV-QZTJIDSGSA-N 1 3 346.475 1.276 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012437 446415581 /nfs/dbraw/zinc/41/55/81/446415581.db2.gz LXTLCYQYBDOOGD-CWLKWCNXSA-N 1 3 330.476 1.886 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000418029877 446419790 /nfs/dbraw/zinc/41/97/90/446419790.db2.gz IVFOSMLTMORRAH-BZSNNMDCSA-N 1 3 348.491 1.023 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2cccnc2)cc1 ZINC000420301234 446463987 /nfs/dbraw/zinc/46/39/87/446463987.db2.gz AJRLGRGTMXDMHH-HKUYNNGSSA-N 1 3 326.444 1.779 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423268409 446470681 /nfs/dbraw/zinc/47/06/81/446470681.db2.gz DOBDKWIUPOVBGP-RRQGHBQHSA-N 1 3 337.489 1.819 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309677 446471585 /nfs/dbraw/zinc/47/15/85/446471585.db2.gz FALDSEMPWLKSEI-OALUTQOASA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309677 446471592 /nfs/dbraw/zinc/47/15/92/446471592.db2.gz FALDSEMPWLKSEI-OALUTQOASA-N 1 3 347.503 1.924 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418293480 446489148 /nfs/dbraw/zinc/48/91/48/446489148.db2.gz AXDKFJUKSLKBDR-UHFFFAOYSA-N 1 3 333.436 1.064 20 0 EDADHO COc1ccc(NC(=O)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345490 446516241 /nfs/dbraw/zinc/51/62/41/446516241.db2.gz VOSMAAPEQREOLE-OKILXGFUSA-N 1 3 346.431 1.275 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423341512 446496963 /nfs/dbraw/zinc/49/69/63/446496963.db2.gz XZEPAKYNSBTWCC-GJZGRUSLSA-N 1 3 333.480 1.301 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCOC1CCCCC1 ZINC000420329092 446496921 /nfs/dbraw/zinc/49/69/21/446496921.db2.gz GDYKATIWNPZKPF-CALCHBBNSA-N 1 3 337.508 1.773 20 0 EDADHO COc1ccccc1[C@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329045 446497188 /nfs/dbraw/zinc/49/71/88/446497188.db2.gz FZDXQGDBBNNPJP-HRCADAONSA-N 1 3 331.460 1.804 20 0 EDADHO Cc1ccc2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346086 446519424 /nfs/dbraw/zinc/51/94/24/446519424.db2.gz XJYNSEFNMCLGIN-CVEARBPZSA-N 1 3 326.444 1.824 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000418391574 446526101 /nfs/dbraw/zinc/52/61/01/446526101.db2.gz CCCBFGJTRKUPRU-MAUKXSAKSA-N 1 3 330.476 1.887 20 0 EDADHO c1cc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350572 446528257 /nfs/dbraw/zinc/52/82/57/446528257.db2.gz UANVIBRZTYHUPP-OAHLLOKOSA-N 1 3 333.432 1.164 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000418417805 446536861 /nfs/dbraw/zinc/53/68/61/446536861.db2.gz VNIUSOCJAYAORP-ZIAGYGMSSA-N 1 3 326.485 1.255 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000433163521 446540238 /nfs/dbraw/zinc/54/02/38/446540238.db2.gz PBSBDYNANZKAJJ-LJQANCHMSA-N 1 3 346.519 1.479 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc1 ZINC000418462150 446552194 /nfs/dbraw/zinc/55/21/94/446552194.db2.gz MYXVRWILGNIJEK-CKEIUWERSA-N 1 3 334.464 1.303 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552797 /nfs/dbraw/zinc/55/27/97/446552797.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 1 3 341.540 1.560 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000418472813 446556514 /nfs/dbraw/zinc/55/65/14/446556514.db2.gz XBSXTMVNJREZCZ-PBHICJAKSA-N 1 3 334.464 1.352 20 0 EDADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334856 446556808 /nfs/dbraw/zinc/55/68/08/446556808.db2.gz NAJLZOHOJFGDNZ-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000433449181 446574634 /nfs/dbraw/zinc/57/46/34/446574634.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCN(C)C2CC2)CCCO1 ZINC000433449181 446574641 /nfs/dbraw/zinc/57/46/41/446574641.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465000 446577496 /nfs/dbraw/zinc/57/74/96/446577496.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465000 446577503 /nfs/dbraw/zinc/57/75/03/446577503.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418530976 446583170 /nfs/dbraw/zinc/58/31/70/446583170.db2.gz VVMLDURHFWNCLU-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NCCOCC[NH3+])CC1 ZINC000420411491 446585321 /nfs/dbraw/zinc/58/53/21/446585321.db2.gz RQGVBBRFOWKKGE-OAHLLOKOSA-N 1 3 338.471 1.594 20 0 EDADHO CN1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@H](c2ccccc2)C1 ZINC000423722581 446659940 /nfs/dbraw/zinc/65/99/40/446659940.db2.gz GJRWJNQRJSZIJI-YJBOKZPZSA-N 1 3 339.443 1.616 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375257256 446675161 /nfs/dbraw/zinc/67/51/61/446675161.db2.gz XOQOOUGXGQNPOJ-QUCCMNQESA-N 1 3 343.471 1.829 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc2)CC1 ZINC000423990768 446811270 /nfs/dbraw/zinc/81/12/70/446811270.db2.gz ZOUAMFCYHZYSGU-QAPCUYQASA-N 1 3 330.476 1.636 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420791389 446823782 /nfs/dbraw/zinc/82/37/82/446823782.db2.gz ONTMOHDFGUPXHA-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420791389 446823788 /nfs/dbraw/zinc/82/37/88/446823788.db2.gz ONTMOHDFGUPXHA-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO COCc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424301713 446867138 /nfs/dbraw/zinc/86/71/38/446867138.db2.gz YDOBZSVKQCXWRM-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419023475 446870850 /nfs/dbraw/zinc/87/08/50/446870850.db2.gz JPDIYXWSKDDTGQ-PMPSAXMXSA-N 1 3 340.512 1.055 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419025894 446872411 /nfs/dbraw/zinc/87/24/11/446872411.db2.gz ZPHBLNABLLOCMG-HNNXBMFYSA-N 1 3 346.475 1.013 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000424454574 446875401 /nfs/dbraw/zinc/87/54/01/446875401.db2.gz MDAAYPQBXYTTLI-HNNXBMFYSA-N 1 3 346.475 1.629 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419096413 446922047 /nfs/dbraw/zinc/92/20/47/446922047.db2.gz CGDSQTWBTRRFGK-BZUAXINKSA-N 1 3 338.496 1.095 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419126010 446937847 /nfs/dbraw/zinc/93/78/47/446937847.db2.gz VDWMSWIECHUSDV-RDJZCZTQSA-N 1 3 346.475 1.183 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419210470 447012923 /nfs/dbraw/zinc/01/29/23/447012923.db2.gz VAWMBPQZDMZAJQ-OAHLLOKOSA-N 1 3 346.475 1.142 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000377201375 446988519 /nfs/dbraw/zinc/98/85/19/446988519.db2.gz JMWGZDTUGBOCLO-AZUAARDMSA-N 1 3 341.455 1.972 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172466 447087600 /nfs/dbraw/zinc/08/76/00/447087600.db2.gz RLUAKMLOQGUYDL-SQGPQFPESA-N 1 3 347.503 1.808 20 0 EDADHO O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000444182525 447090869 /nfs/dbraw/zinc/09/08/69/447090869.db2.gz MAEKGPARBBKTQV-MRXNPFEDSA-N 1 3 330.432 1.802 20 0 EDADHO C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CCN(C)CC1 ZINC000376040707 447229704 /nfs/dbraw/zinc/22/97/04/447229704.db2.gz BSBYEJMEUNRCHD-CQSZACIVSA-N 1 3 346.479 1.922 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(C2CCN(C)CC2)n1)C[NH+]1CCCC1 ZINC000376049101 447235727 /nfs/dbraw/zinc/23/57/27/447235727.db2.gz YJVCZQWOSUSMMG-HNNXBMFYSA-N 1 3 348.495 2.003 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132278 447236400 /nfs/dbraw/zinc/23/64/00/447236400.db2.gz VHMCXHSBBJYFHO-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132278 447236411 /nfs/dbraw/zinc/23/64/11/447236411.db2.gz VHMCXHSBBJYFHO-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000376080779 447256569 /nfs/dbraw/zinc/25/65/69/447256569.db2.gz KDGMKLJQWSLRFC-KRWDZBQOSA-N 1 3 330.476 1.902 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000376080779 447256576 /nfs/dbraw/zinc/25/65/76/447256576.db2.gz KDGMKLJQWSLRFC-KRWDZBQOSA-N 1 3 330.476 1.902 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN)c1)C1CC1 ZINC000415469834 447460978 /nfs/dbraw/zinc/46/09/78/447460978.db2.gz MXZPOUCXJUNLOD-QGZVFWFLSA-N 1 3 344.459 1.212 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN)c1)C1CC1 ZINC000415469834 447460983 /nfs/dbraw/zinc/46/09/83/447460983.db2.gz MXZPOUCXJUNLOD-QGZVFWFLSA-N 1 3 344.459 1.212 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000458719837 447461354 /nfs/dbraw/zinc/46/13/54/447461354.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 1 3 339.528 1.137 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000458719837 447461357 /nfs/dbraw/zinc/46/13/57/447461357.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 1 3 339.528 1.137 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383344751 447465980 /nfs/dbraw/zinc/46/59/80/447465980.db2.gz LWQKUTHYSLAARS-ZWKOTPCHSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383344751 447465986 /nfs/dbraw/zinc/46/59/86/447465986.db2.gz LWQKUTHYSLAARS-ZWKOTPCHSA-N 1 3 331.460 1.393 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]([NH3+])C(C)C)c2)CC1 ZINC000415502529 447484830 /nfs/dbraw/zinc/48/48/30/447484830.db2.gz TUYQONUTLHVYKF-KRWDZBQOSA-N 1 3 333.480 1.933 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000390896001 447505033 /nfs/dbraw/zinc/50/50/33/447505033.db2.gz KFSDPUFGPAKSTN-ROUUACIJSA-N 1 3 331.460 1.393 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000427145996 447552808 /nfs/dbraw/zinc/55/28/08/447552808.db2.gz CKKIQWVNRYDNJY-DLBZAZTESA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427148625 447553302 /nfs/dbraw/zinc/55/33/02/447553302.db2.gz YPBQBGZMNIZZLR-FGTMMUONSA-N 1 3 337.508 1.963 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000405300534 447608620 /nfs/dbraw/zinc/60/86/20/447608620.db2.gz NMNLEEVRQJOVTF-GBESFXJTSA-N 1 3 345.487 1.911 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000459196509 447612222 /nfs/dbraw/zinc/61/22/22/447612222.db2.gz PBCBOLHEFPQKGF-JKSUJKDBSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000459196509 447612225 /nfs/dbraw/zinc/61/22/25/447612225.db2.gz PBCBOLHEFPQKGF-JKSUJKDBSA-N 1 3 340.512 1.469 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC[NH2+]1 ZINC000416826550 447692484 /nfs/dbraw/zinc/69/24/84/447692484.db2.gz BWHYQICAMRMKLQ-PKOBYXMFSA-N 1 3 348.491 1.227 20 0 EDADHO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(F)F ZINC000416849276 447695482 /nfs/dbraw/zinc/69/54/82/447695482.db2.gz XTOKVBPPGVNSMR-KGLIPLIRSA-N 1 3 326.391 1.543 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000457927304 447673590 /nfs/dbraw/zinc/67/35/90/447673590.db2.gz IGHFCXGVLPSTHE-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000457927304 447673595 /nfs/dbraw/zinc/67/35/95/447673595.db2.gz IGHFCXGVLPSTHE-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[NH2+]CCCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416808767 447689165 /nfs/dbraw/zinc/68/91/65/447689165.db2.gz ACJHSZINGYIPJV-KRWDZBQOSA-N 1 3 334.464 1.741 20 0 EDADHO CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422697163 447718821 /nfs/dbraw/zinc/71/88/21/447718821.db2.gz UBRBETZFKHOWDS-SJORKVTESA-N 1 3 332.496 1.109 20 0 EDADHO C[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422718694 447728152 /nfs/dbraw/zinc/72/81/52/447728152.db2.gz XISOHPBGDVWDHL-HOCLYGCPSA-N 1 3 331.460 1.474 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792110 447751353 /nfs/dbraw/zinc/75/13/53/447751353.db2.gz QOWNDCLZBASGMJ-DOPJRALCSA-N 1 3 332.423 1.896 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792110 447751355 /nfs/dbraw/zinc/75/13/55/447751355.db2.gz QOWNDCLZBASGMJ-DOPJRALCSA-N 1 3 332.423 1.896 20 0 EDADHO O=C(NCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813290 447756815 /nfs/dbraw/zinc/75/68/15/447756815.db2.gz ZHFOYNROOXAEGO-HNAYVOBHSA-N 1 3 341.411 1.855 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458323967 447769406 /nfs/dbraw/zinc/76/94/06/447769406.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458323967 447769409 /nfs/dbraw/zinc/76/94/09/447769409.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422913836 447771365 /nfs/dbraw/zinc/77/13/65/447771365.db2.gz QWAYGSAZERUFLE-JKSUJKDBSA-N 1 3 332.492 1.728 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2N)ccc1OCC(=O)N(C)C ZINC000422947584 447777738 /nfs/dbraw/zinc/77/77/38/447777738.db2.gz YMWOAVJUIPTNCN-HZPDHXFCSA-N 1 3 349.475 1.912 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946518 447777844 /nfs/dbraw/zinc/77/78/44/447777844.db2.gz OZPSBVUSWWIWGN-ZFWWWQNUSA-N 1 3 343.493 1.341 20 0 EDADHO C[C@@H](NC[C@@H](CO)Cc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423079719 447801000 /nfs/dbraw/zinc/80/10/00/447801000.db2.gz YSPIFTSJNSKRAI-YPMHNXCESA-N 1 3 327.266 1.798 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(Br)cc1)C1CNC1 ZINC000423079719 447801002 /nfs/dbraw/zinc/80/10/02/447801002.db2.gz YSPIFTSJNSKRAI-YPMHNXCESA-N 1 3 327.266 1.798 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470801906 447803684 /nfs/dbraw/zinc/80/36/84/447803684.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 1 3 337.487 1.749 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000470801906 447803688 /nfs/dbraw/zinc/80/36/88/447803688.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 1 3 337.487 1.749 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000487684754 447836076 /nfs/dbraw/zinc/83/60/76/447836076.db2.gz CZAWODHPPWPHMF-IAGOWNOFSA-N 1 3 338.496 1.148 20 0 EDADHO CC[N@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859464 /nfs/dbraw/zinc/85/94/64/447859464.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 1 3 331.460 1.224 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859470 /nfs/dbraw/zinc/85/94/70/447859470.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 1 3 331.460 1.224 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000530629882 447930007 /nfs/dbraw/zinc/93/00/07/447930007.db2.gz MDASEDDEPLLJNT-MSOLQXFVSA-N 1 3 348.491 1.651 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993283 /nfs/dbraw/zinc/99/32/83/447993283.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 1 3 341.540 1.512 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993287 /nfs/dbraw/zinc/99/32/87/447993287.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 1 3 341.540 1.512 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3COCC3(C)C)CC2)CC1 ZINC000576201354 447995686 /nfs/dbraw/zinc/99/56/86/447995686.db2.gz BYXZASOLMNFJEM-MRXNPFEDSA-N 1 3 338.496 1.269 20 0 EDADHO O=C([C@@H]1CCCCN1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000576228799 448005977 /nfs/dbraw/zinc/00/59/77/448005977.db2.gz CJIVJROBAGFUSK-INIZCTEOSA-N 1 3 345.491 1.725 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1ccnn1C ZINC000491433050 448027735 /nfs/dbraw/zinc/02/77/35/448027735.db2.gz CIIVBFKVMPSDKO-XZVRFQMRSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1ccnn1C ZINC000491433050 448027741 /nfs/dbraw/zinc/02/77/41/448027741.db2.gz CIIVBFKVMPSDKO-XZVRFQMRSA-N 1 3 333.480 1.308 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000576623631 448099338 /nfs/dbraw/zinc/09/93/38/448099338.db2.gz RQYPFMUJSOHCDC-UHFFFAOYSA-N 1 3 344.507 1.891 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000576623631 448099341 /nfs/dbraw/zinc/09/93/41/448099341.db2.gz RQYPFMUJSOHCDC-UHFFFAOYSA-N 1 3 344.507 1.891 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000502754596 448105198 /nfs/dbraw/zinc/10/51/98/448105198.db2.gz BYJDWCXPWNHZOU-LUKYLMHMSA-N 1 3 338.496 1.364 20 0 EDADHO COC(=O)c1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000576784561 448137696 /nfs/dbraw/zinc/13/76/96/448137696.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 1 3 334.464 1.326 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402232 448147087 /nfs/dbraw/zinc/14/70/87/448147087.db2.gz GRGXHSASRNTCQN-XTLJGILYSA-N 1 3 349.519 1.789 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000491903771 448148749 /nfs/dbraw/zinc/14/87/49/448148749.db2.gz AKDWIUJUBLKGSR-WMHRWZGDSA-N 1 3 345.487 1.666 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547364 448171810 /nfs/dbraw/zinc/17/18/10/448171810.db2.gz JILXWZUBQUVVMF-HNNXBMFYSA-N 1 3 334.468 1.708 20 0 EDADHO C[NH+](C)C/C=C\C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000492172404 448195311 /nfs/dbraw/zinc/19/53/11/448195311.db2.gz VDYPIQJBHDLVKG-DAXSKMNVSA-N 1 3 331.460 1.947 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000514739495 448197744 /nfs/dbraw/zinc/19/77/44/448197744.db2.gz QZXPSVBLMQIXPU-ROUUACIJSA-N 1 3 330.476 1.434 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNCCC(=O)NC(N)=O)C1 ZINC000582415130 448229980 /nfs/dbraw/zinc/22/99/80/448229980.db2.gz ANHKJYXKUZDKJY-GJZGRUSLSA-N 1 3 346.475 1.839 20 0 EDADHO COC[C@]1(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)CCC[NH2+]1 ZINC000514850232 448213717 /nfs/dbraw/zinc/21/37/17/448213717.db2.gz OXCFOBNCEKXUCX-CRAIPNDOSA-N 1 3 338.496 1.271 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000577354646 448271886 /nfs/dbraw/zinc/27/18/86/448271886.db2.gz AQCDTEHCZSCYRP-CABCVRRESA-N 1 3 340.512 1.563 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000566182801 448407280 /nfs/dbraw/zinc/40/72/80/448407280.db2.gz PDUYLZCXCNRGHB-LJQANCHMSA-N 1 3 345.487 1.833 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000566436476 448469802 /nfs/dbraw/zinc/46/98/02/448469802.db2.gz LCTHDWDOGGPPQZ-KRWDZBQOSA-N 1 3 336.524 1.347 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000566436476 448469807 /nfs/dbraw/zinc/46/98/07/448469807.db2.gz LCTHDWDOGGPPQZ-KRWDZBQOSA-N 1 3 336.524 1.347 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000533810652 448423931 /nfs/dbraw/zinc/42/39/31/448423931.db2.gz DRXUSAATDLLRGK-QGZVFWFLSA-N 1 3 339.443 1.339 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000566436904 448468728 /nfs/dbraw/zinc/46/87/28/448468728.db2.gz SSVQUXUREQLUNK-UHFFFAOYSA-N 1 3 335.496 1.637 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000566436904 448468732 /nfs/dbraw/zinc/46/87/32/448468732.db2.gz SSVQUXUREQLUNK-UHFFFAOYSA-N 1 3 335.496 1.637 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000591727502 448474065 /nfs/dbraw/zinc/47/40/65/448474065.db2.gz DRIMXWPZJKWUSB-RHSMWYFYSA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727502 448474070 /nfs/dbraw/zinc/47/40/70/448474070.db2.gz DRIMXWPZJKWUSB-RHSMWYFYSA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727502 448474073 /nfs/dbraw/zinc/47/40/73/448474073.db2.gz DRIMXWPZJKWUSB-RHSMWYFYSA-N 1 3 348.443 1.287 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000517246771 448563400 /nfs/dbraw/zinc/56/34/00/448563400.db2.gz IMRVNMYSECBCBR-OAHLLOKOSA-N 1 3 346.475 1.135 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)nn1C ZINC000578433345 448543216 /nfs/dbraw/zinc/54/32/16/448543216.db2.gz YRSHDLXIXHEYHV-INIZCTEOSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)nn1C ZINC000578433345 448543223 /nfs/dbraw/zinc/54/32/23/448543223.db2.gz YRSHDLXIXHEYHV-INIZCTEOSA-N 1 3 335.496 1.146 20 0 EDADHO CN1CC[NH+](CCCCNC(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000573687439 448690689 /nfs/dbraw/zinc/69/06/89/448690689.db2.gz HVUQIPGOCLOYKA-SFHVURJKSA-N 1 3 330.476 1.017 20 0 EDADHO CN1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025437 448698652 /nfs/dbraw/zinc/69/86/52/448698652.db2.gz CNOHWULMRADSGC-IUODEOHRSA-N 1 3 348.476 1.111 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000567566296 448713906 /nfs/dbraw/zinc/71/39/06/448713906.db2.gz PVIYTOKAFSUKGH-OAHLLOKOSA-N 1 3 348.495 2.003 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)n2)CC1 ZINC000567566296 448713912 /nfs/dbraw/zinc/71/39/12/448713912.db2.gz PVIYTOKAFSUKGH-OAHLLOKOSA-N 1 3 348.495 2.003 20 0 EDADHO c1cc2c(cc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000518959771 448724729 /nfs/dbraw/zinc/72/47/29/448724729.db2.gz JSTRDSBKKMFTGJ-BRWVUGGUSA-N 1 3 332.444 1.747 20 0 EDADHO C[C@@H](CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195368 448814425 /nfs/dbraw/zinc/81/44/25/448814425.db2.gz UZJXUWCBJBWPRX-WNRNVDISSA-N 1 3 327.513 1.311 20 0 EDADHO C[C@@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)N1CCCCC1 ZINC000574195368 448814431 /nfs/dbraw/zinc/81/44/31/448814431.db2.gz UZJXUWCBJBWPRX-WNRNVDISSA-N 1 3 327.513 1.311 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000579463908 448798896 /nfs/dbraw/zinc/79/88/96/448798896.db2.gz QXHMECZLLVTKNZ-WVDLQDBSSA-N 1 3 325.497 1.061 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000579463908 448798900 /nfs/dbraw/zinc/79/89/00/448798900.db2.gz QXHMECZLLVTKNZ-WVDLQDBSSA-N 1 3 325.497 1.061 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)CNCC4)c21 ZINC000592470760 448850505 /nfs/dbraw/zinc/85/05/05/448850505.db2.gz MQLDAIUAIGDPRU-ZDUSSCGKSA-N 1 3 325.416 1.617 20 0 EDADHO CN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000521202727 448960627 /nfs/dbraw/zinc/96/06/27/448960627.db2.gz VNYBZDUWCUBUIQ-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956834 449078618 /nfs/dbraw/zinc/07/86/18/449078618.db2.gz ZPQBCXQLRFMNKN-RDJZCZTQSA-N 1 3 341.459 1.752 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440701 449044416 /nfs/dbraw/zinc/04/44/16/449044416.db2.gz WKPOKXGEQVYWNS-INIZCTEOSA-N 1 3 333.480 1.050 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN(c4ccncc4)CC3)c21 ZINC000592961898 449084487 /nfs/dbraw/zinc/08/44/87/449084487.db2.gz UUYMJNIFRWDHFR-AWEZNQCLSA-N 1 3 340.431 1.077 20 0 EDADHO CC[C@@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000569600726 449055290 /nfs/dbraw/zinc/05/52/90/449055290.db2.gz JSDDULIEIDDPIT-OAHLLOKOSA-N 1 3 334.464 1.013 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055239 /nfs/dbraw/zinc/05/52/39/449055239.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 1 3 327.472 1.987 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055242 /nfs/dbraw/zinc/05/52/42/449055242.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 1 3 327.472 1.987 20 0 EDADHO CCCN1CC[C@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000595634155 449092035 /nfs/dbraw/zinc/09/20/35/449092035.db2.gz CIKJAJRBRICFLC-AWEZNQCLSA-N 1 3 328.526 1.597 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267466 /nfs/dbraw/zinc/26/74/66/449267466.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267472 /nfs/dbraw/zinc/26/74/72/449267472.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 1 3 349.523 1.035 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945825 449271962 /nfs/dbraw/zinc/27/19/62/449271962.db2.gz OOJICILKVAUYLT-IAGOWNOFSA-N 1 3 347.459 1.042 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945825 449271967 /nfs/dbraw/zinc/27/19/67/449271967.db2.gz OOJICILKVAUYLT-IAGOWNOFSA-N 1 3 347.459 1.042 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614069569 449443932 /nfs/dbraw/zinc/44/39/32/449443932.db2.gz ZLCKDYVQUOAVQW-GOSISDBHSA-N 1 3 327.513 1.804 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000611848931 449444589 /nfs/dbraw/zinc/44/45/89/449444589.db2.gz IUIGQLRFDSJNCH-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)CC[NH2+]CC1 ZINC000600707881 449507963 /nfs/dbraw/zinc/50/79/63/449507963.db2.gz BWEOOJHQYVILPO-CZUORRHYSA-N 1 3 345.443 1.461 20 0 EDADHO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504674 449650281 /nfs/dbraw/zinc/65/02/81/449650281.db2.gz FGIIJEZVLHIJGH-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504674 449650285 /nfs/dbraw/zinc/65/02/85/449650285.db2.gz FGIIJEZVLHIJGH-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc2ccncc21 ZINC000617506942 449655234 /nfs/dbraw/zinc/65/52/34/449655234.db2.gz CUSZVAKRPSSMED-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc2ccncc21 ZINC000617506942 449655238 /nfs/dbraw/zinc/65/52/38/449655238.db2.gz CUSZVAKRPSSMED-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)OCCNC4)c21 ZINC000602551239 449669627 /nfs/dbraw/zinc/66/96/27/449669627.db2.gz OMZJZQJGKCKDCG-LBPRGKRZSA-N 1 3 341.415 1.454 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617503384 449647821 /nfs/dbraw/zinc/64/78/21/449647821.db2.gz HCZHFNOHFHCQQK-YOEHRIQHSA-N 1 3 335.448 1.215 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000617503384 449647828 /nfs/dbraw/zinc/64/78/28/449647828.db2.gz HCZHFNOHFHCQQK-YOEHRIQHSA-N 1 3 335.448 1.215 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N(C)C ZINC000617700449 449744432 /nfs/dbraw/zinc/74/44/32/449744432.db2.gz DZPINNLOHRVTIO-ZWKOTPCHSA-N 1 3 333.476 1.456 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N(C)C ZINC000617700449 449744436 /nfs/dbraw/zinc/74/44/36/449744436.db2.gz DZPINNLOHRVTIO-ZWKOTPCHSA-N 1 3 333.476 1.456 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595148540 449902444 /nfs/dbraw/zinc/90/24/44/449902444.db2.gz YJFBEFDDACSQCZ-KRWDZBQOSA-N 1 3 343.475 1.698 20 0 EDADHO C[C@@]1(NC(=O)NC2CCN(CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000612864545 449916671 /nfs/dbraw/zinc/91/66/71/449916671.db2.gz DROYHTLOCUBGFV-LJQANCHMSA-N 1 3 330.476 1.745 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038717 /nfs/dbraw/zinc/03/87/17/450038717.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 1 3 348.535 1.347 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038721 /nfs/dbraw/zinc/03/87/21/450038721.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 1 3 348.535 1.347 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCCCC1 ZINC000620486685 450503680 /nfs/dbraw/zinc/50/36/80/450503680.db2.gz LLQUFJWMJDMVMM-MSOLQXFVSA-N 1 3 337.508 1.555 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCCCC1 ZINC000620486685 450503684 /nfs/dbraw/zinc/50/36/84/450503684.db2.gz LLQUFJWMJDMVMM-MSOLQXFVSA-N 1 3 337.508 1.555 20 0 EDADHO CC1(C)CCC[C@@](CO)([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000625835968 450518369 /nfs/dbraw/zinc/51/83/69/450518369.db2.gz OTYIIYYIWAIJJB-LJQANCHMSA-N 1 3 337.508 1.650 20 0 EDADHO CC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C)N1 ZINC000620898183 450557539 /nfs/dbraw/zinc/55/75/39/450557539.db2.gz QWOQQDBAXZQKIU-IMJJTQAJSA-N 1 3 325.522 1.803 20 0 EDADHO CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(CN(C)C)cc1 ZINC000626062846 450565692 /nfs/dbraw/zinc/56/56/92/450565692.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 1 3 346.519 1.734 20 0 EDADHO CC[N@@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(CN(C)C)cc1 ZINC000626062846 450565694 /nfs/dbraw/zinc/56/56/94/450565694.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 1 3 346.519 1.734 20 0 EDADHO CN(C)CCn1c2cc(NC[C@H](O)C[NH+]3CCCC3)ccc2oc1=O ZINC000629582530 450749025 /nfs/dbraw/zinc/74/90/25/450749025.db2.gz TZRLNSZCJFZXQC-HNNXBMFYSA-N 1 3 348.447 1.025 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000629591347 450752496 /nfs/dbraw/zinc/75/24/96/450752496.db2.gz FPSYQEGVQWAFBC-HNNXBMFYSA-N 1 3 336.484 1.061 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266690 450771400 /nfs/dbraw/zinc/77/14/00/450771400.db2.gz SWJFNVXKEFDOGE-UHOSZYNNSA-N 1 3 332.492 1.602 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266690 450771404 /nfs/dbraw/zinc/77/14/04/450771404.db2.gz SWJFNVXKEFDOGE-UHOSZYNNSA-N 1 3 332.492 1.602 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908708 450867434 /nfs/dbraw/zinc/86/74/34/450867434.db2.gz XTEUTKIQJGNDMH-CVEARBPZSA-N 1 3 329.510 1.266 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000633614087 450942901 /nfs/dbraw/zinc/94/29/01/450942901.db2.gz MIQAUHDUHJKNJI-GJZGRUSLSA-N 1 3 335.496 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000633614087 450942903 /nfs/dbraw/zinc/94/29/03/450942903.db2.gz MIQAUHDUHJKNJI-GJZGRUSLSA-N 1 3 335.496 1.467 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851891 450958623 /nfs/dbraw/zinc/95/86/23/450958623.db2.gz XRRKLXMZYWEJCZ-INIZCTEOSA-N 1 3 344.459 1.396 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000626916568 451002147 /nfs/dbraw/zinc/00/21/47/451002147.db2.gz KUZUBEHHKJVJAV-KRWDZBQOSA-N 1 3 334.464 1.440 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000632101171 451036896 /nfs/dbraw/zinc/03/68/96/451036896.db2.gz QOYCTMVAYSVZDO-HZPDHXFCSA-N 1 3 348.495 1.143 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000632101171 451036901 /nfs/dbraw/zinc/03/69/01/451036901.db2.gz QOYCTMVAYSVZDO-HZPDHXFCSA-N 1 3 348.495 1.143 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000622136823 451061533 /nfs/dbraw/zinc/06/15/33/451061533.db2.gz VAYPAFICCBYIFG-HZPDHXFCSA-N 1 3 325.497 1.769 20 0 EDADHO CN(CCOCC[NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000626978471 451046972 /nfs/dbraw/zinc/04/69/72/451046972.db2.gz FGRSCLQALZULBR-SFHVURJKSA-N 1 3 348.491 1.830 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000624997482 451101237 /nfs/dbraw/zinc/10/12/37/451101237.db2.gz XRVPEQOSQAROKD-ZWKOTPCHSA-N 1 3 341.459 1.729 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000624997482 451101239 /nfs/dbraw/zinc/10/12/39/451101239.db2.gz XRVPEQOSQAROKD-ZWKOTPCHSA-N 1 3 341.459 1.729 20 0 EDADHO O=C([C@@H]1CCN1C1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000635694844 451177655 /nfs/dbraw/zinc/17/76/55/451177655.db2.gz OFTLBUKXRWYKMC-ROUUACIJSA-N 1 3 335.492 1.717 20 0 EDADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000638087381 451251631 /nfs/dbraw/zinc/25/16/31/451251631.db2.gz RVUGMWQTVYAZQO-CRAIPNDOSA-N 1 3 348.447 1.282 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111255 451279656 /nfs/dbraw/zinc/27/96/56/451279656.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 1 3 346.519 1.540 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111255 451279660 /nfs/dbraw/zinc/27/96/60/451279660.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 1 3 346.519 1.540 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630750009 451383142 /nfs/dbraw/zinc/38/31/42/451383142.db2.gz MGVBBKPQZLLGIQ-IAGOWNOFSA-N 1 3 349.523 1.933 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)N1CCOCC1 ZINC000638180755 451341942 /nfs/dbraw/zinc/34/19/42/451341942.db2.gz KMZYLWOQPMCCBT-IXDOHACOSA-N 1 3 325.497 1.281 20 0 EDADHO CO[C@@]1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCOC1 ZINC000638272681 451392141 /nfs/dbraw/zinc/39/21/41/451392141.db2.gz AOARHHUDNJTFTM-LJQANCHMSA-N 1 3 334.460 1.538 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000638289327 451406816 /nfs/dbraw/zinc/40/68/16/451406816.db2.gz NTDHXMDGDFRMLW-SJLPKXTDSA-N 1 3 332.448 1.181 20 0 EDADHO O[C@H](CNCc1ccc(C[NH+]2CCCC2)cc1)CC1(O)CCOCC1 ZINC000634639705 451431437 /nfs/dbraw/zinc/43/14/37/451431437.db2.gz NXTVKMFJTYVSEA-IBGZPJMESA-N 1 3 348.487 1.665 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000638407555 451495335 /nfs/dbraw/zinc/49/53/35/451495335.db2.gz BICLMGKTWNFXMY-HKUYNNGSSA-N 1 3 346.475 1.177 20 0 EDADHO CC(C)COC[C@@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719358 451500395 /nfs/dbraw/zinc/50/03/95/451500395.db2.gz SLKAULOCRIFDNP-OALUTQOASA-N 1 3 336.476 1.247 20 0 EDADHO CC(C)COC[C@@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719358 451500401 /nfs/dbraw/zinc/50/04/01/451500401.db2.gz SLKAULOCRIFDNP-OALUTQOASA-N 1 3 336.476 1.247 20 0 EDADHO OC[C@H](CN1CCCCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722613 451503269 /nfs/dbraw/zinc/50/32/69/451503269.db2.gz RRLBDMOAAVTUJB-VQTJNVASSA-N 1 3 347.503 1.060 20 0 EDADHO OC[C@H](CN1CCCCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722613 451503273 /nfs/dbraw/zinc/50/32/73/451503273.db2.gz RRLBDMOAAVTUJB-VQTJNVASSA-N 1 3 347.503 1.060 20 0 EDADHO C[N@H+](C[C@@H](O)CNCCC1(O)CCN(c2ccccc2)CC1)C1CC1 ZINC000634725828 451506796 /nfs/dbraw/zinc/50/67/96/451506796.db2.gz DXACRINLJUCJRQ-IBGZPJMESA-N 1 3 347.503 1.453 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCCC1(O)CCN(c2ccccc2)CC1)C1CC1 ZINC000634725828 451506800 /nfs/dbraw/zinc/50/68/00/451506800.db2.gz DXACRINLJUCJRQ-IBGZPJMESA-N 1 3 347.503 1.453 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000634745361 451522437 /nfs/dbraw/zinc/52/24/37/451522437.db2.gz FHKHQQMLOMEGRG-RLLQIKCJSA-N 1 3 342.487 1.752 20 0 EDADHO CN(CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562076 /nfs/dbraw/zinc/56/20/76/451562076.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 1 3 347.503 1.847 20 0 EDADHO CN(CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562083 /nfs/dbraw/zinc/56/20/83/451562083.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 1 3 347.503 1.847 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)CC[C@@H]1C(F)(F)F ZINC000638561834 451577759 /nfs/dbraw/zinc/57/77/59/451577759.db2.gz XEPXCLNGYJUKGQ-KBPBESRZSA-N 1 3 327.350 1.889 20 0 EDADHO CCn1ncnc1C[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000638720022 451664995 /nfs/dbraw/zinc/66/49/95/451664995.db2.gz PZSPTIOEMNGREJ-UHFFFAOYSA-N 1 3 336.484 1.014 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677687 /nfs/dbraw/zinc/67/76/87/451677687.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 1 3 348.491 1.447 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677689 /nfs/dbraw/zinc/67/76/89/451677689.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 1 3 348.491 1.447 20 0 EDADHO O=C([C@H]1CNCc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786257 451692409 /nfs/dbraw/zinc/69/24/09/451692409.db2.gz ROGZUKYPAAJHHW-MJGOQNOKSA-N 1 3 343.471 1.491 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985366 451746295 /nfs/dbraw/zinc/74/62/95/451746295.db2.gz FMUJMLXNWATADZ-CQSZACIVSA-N 1 3 342.447 1.840 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639025903 451754128 /nfs/dbraw/zinc/75/41/28/451754128.db2.gz VFSIMMYEZZJXMF-DLBZAZTESA-N 1 3 335.492 1.622 20 0 EDADHO CCO[C@H]1C[C@](CO)(NC2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084811 451765171 /nfs/dbraw/zinc/76/51/71/451765171.db2.gz BJHQUPJAZFRPPS-MAUKXSAKSA-N 1 3 328.497 1.377 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)[C@]12CCCO2 ZINC000639135304 451774278 /nfs/dbraw/zinc/77/42/78/451774278.db2.gz CKWHRXAVIOILKT-JFIYKMOQSA-N 1 3 325.497 1.329 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000644562126 451863008 /nfs/dbraw/zinc/86/30/08/451863008.db2.gz XGGLXZDYUXYZIQ-AZUAARDMSA-N 1 3 347.503 1.322 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCn2ccc(C(F)(F)F)n2)CC1 ZINC000639398929 451864059 /nfs/dbraw/zinc/86/40/59/451864059.db2.gz SRHFIANRYDZJLD-UHFFFAOYSA-N 1 3 334.386 1.727 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCO1 ZINC000646846096 451883154 /nfs/dbraw/zinc/88/31/54/451883154.db2.gz NXPXKKSRKCXGSE-BLLLJJGKSA-N 1 3 331.416 1.683 20 0 EDADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649305322 451982162 /nfs/dbraw/zinc/98/21/62/451982162.db2.gz MMJUIJBWQZSVFS-ROUUACIJSA-N 1 3 331.460 1.393 20 0 EDADHO COCCC1(C(=O)NCCN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649306048 451983837 /nfs/dbraw/zinc/98/38/37/451983837.db2.gz WTSWZMWTQHRGPJ-UHFFFAOYSA-N 1 3 333.476 1.641 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])N[C@H](C)c1ccccc1 ZINC000642909891 451986692 /nfs/dbraw/zinc/98/66/92/451986692.db2.gz WPBYPHPGWFHYHU-ZMSDIMECSA-N 1 3 348.491 1.332 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649310481 451988158 /nfs/dbraw/zinc/98/81/58/451988158.db2.gz MJKSCWOKIWDPOJ-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649310481 451988160 /nfs/dbraw/zinc/98/81/60/451988160.db2.gz MJKSCWOKIWDPOJ-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO CC(C)[C@H]([NH3+])CC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000649312075 451990047 /nfs/dbraw/zinc/99/00/47/451990047.db2.gz MFTFXKUVBSYBES-GOSISDBHSA-N 1 3 332.492 1.920 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@](C)(O)CCN(C)C)CC1 ZINC000642948529 451997133 /nfs/dbraw/zinc/99/71/33/451997133.db2.gz MAKKGGAUKIDRQR-IBGZPJMESA-N 1 3 348.491 1.425 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(N)CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331706 452013284 /nfs/dbraw/zinc/01/32/84/452013284.db2.gz PFJVYVHJKMJRRW-OXQOHEQNSA-N 1 3 344.503 1.799 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336687 452018170 /nfs/dbraw/zinc/01/81/70/452018170.db2.gz MPMZBYXFTGJDOJ-NXHRZFHOSA-N 1 3 331.460 1.249 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000649374314 452049255 /nfs/dbraw/zinc/04/92/55/452049255.db2.gz JZQRVFQUDROAFK-KRWDZBQOSA-N 1 3 345.491 1.324 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637804688 452092884 /nfs/dbraw/zinc/09/28/84/452092884.db2.gz SABUIZOOJXWYCT-SFHVURJKSA-N 1 3 339.439 1.700 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(CN(C)C)C2)c1 ZINC000639763569 452104129 /nfs/dbraw/zinc/10/41/29/452104129.db2.gz DXRAKZGGAQSENW-HKUYNNGSSA-N 1 3 336.476 1.432 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(CN(C)C)C2)c1 ZINC000639763569 452104131 /nfs/dbraw/zinc/10/41/31/452104131.db2.gz DXRAKZGGAQSENW-HKUYNNGSSA-N 1 3 336.476 1.432 20 0 EDADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCCO1 ZINC000653878432 452158439 /nfs/dbraw/zinc/15/84/39/452158439.db2.gz ZWHBFTDCRMYNRF-IAGOWNOFSA-N 1 3 325.497 1.913 20 0 EDADHO C[C@@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000645190093 452203312 /nfs/dbraw/zinc/20/33/12/452203312.db2.gz UCSGYQKKYVDLSH-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442646 452291276 /nfs/dbraw/zinc/29/12/76/452291276.db2.gz RBQULSYHISTBGJ-CKXIEVRYSA-N 1 3 328.460 1.873 20 0 EDADHO CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000641822261 452303676 /nfs/dbraw/zinc/30/36/76/452303676.db2.gz QOMRFMJVNCMDSC-UHFFFAOYSA-N 1 3 346.475 1.855 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)N(C)C)cc1 ZINC000638048941 452316799 /nfs/dbraw/zinc/31/67/99/452316799.db2.gz ARXVZWBQZDAJIS-IEBWSBKVSA-N 1 3 333.476 1.723 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659469268 452325603 /nfs/dbraw/zinc/32/56/03/452325603.db2.gz LOVHENYKGYVQER-KYJSFNMBSA-N 1 3 334.508 1.890 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000638053061 452329403 /nfs/dbraw/zinc/32/94/03/452329403.db2.gz GAQKGSKALSCHBQ-LJQANCHMSA-N 1 3 341.455 1.943 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSCC[C@@H]1C ZINC000665761768 452336163 /nfs/dbraw/zinc/33/61/63/452336163.db2.gz PKPMCHQQJCYXEC-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSCC[C@@H]1C ZINC000665761768 452336169 /nfs/dbraw/zinc/33/61/69/452336169.db2.gz PKPMCHQQJCYXEC-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000665762482 452338380 /nfs/dbraw/zinc/33/83/80/452338380.db2.gz FYWOFCWORUNPIP-DOTOQJQBSA-N 1 3 328.501 1.205 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@](C)(O)CC1 ZINC000665762482 452338388 /nfs/dbraw/zinc/33/83/88/452338388.db2.gz FYWOFCWORUNPIP-DOTOQJQBSA-N 1 3 328.501 1.205 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000638062289 452356038 /nfs/dbraw/zinc/35/60/38/452356038.db2.gz DUSAVQLQDINUSZ-ICSRJNTNSA-N 1 3 345.487 1.843 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC000652163243 452356596 /nfs/dbraw/zinc/35/65/96/452356596.db2.gz FPGKYVJIWITIQN-BPUTZDHNSA-N 1 3 326.510 1.194 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484293 452455208 /nfs/dbraw/zinc/45/52/08/452455208.db2.gz DBIRJKZAZDBRBU-KRWDZBQOSA-N 1 3 330.476 1.761 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000659608315 452464165 /nfs/dbraw/zinc/46/41/65/452464165.db2.gz MQHXTPBMRRWYOI-MXASKKJJSA-N 1 3 336.480 1.009 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000663762530 452490135 /nfs/dbraw/zinc/49/01/35/452490135.db2.gz DAPRPBAEICGDKB-ZWKOTPCHSA-N 1 3 332.492 1.943 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000663762530 452490138 /nfs/dbraw/zinc/49/01/38/452490138.db2.gz DAPRPBAEICGDKB-ZWKOTPCHSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652384556 452576789 /nfs/dbraw/zinc/57/67/89/452576789.db2.gz DFBLNNHNAZNPDE-UHFFFAOYSA-N 1 3 325.478 1.416 20 0 EDADHO CN1CCN(c2ncc(CN[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857394 452610687 /nfs/dbraw/zinc/61/06/87/452610687.db2.gz UDXXGTPKFBLVEO-QZTJIDSGSA-N 1 3 344.507 1.335 20 0 EDADHO CN1CCN(c2ncc(CN[C@@H]3CCC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857394 452610698 /nfs/dbraw/zinc/61/06/98/452610698.db2.gz UDXXGTPKFBLVEO-QZTJIDSGSA-N 1 3 344.507 1.335 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000652486672 452680533 /nfs/dbraw/zinc/68/05/33/452680533.db2.gz SWYWPIHOAGSXQS-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000652486672 452680544 /nfs/dbraw/zinc/68/05/44/452680544.db2.gz SWYWPIHOAGSXQS-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655930775 452700737 /nfs/dbraw/zinc/70/07/37/452700737.db2.gz BRRLOGLOGIYDRL-LLVKDONJSA-N 1 3 338.399 1.711 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654665933 452780400 /nfs/dbraw/zinc/78/04/00/452780400.db2.gz SAWUVRZKANVFAP-LESCRADOSA-N 1 3 348.491 1.937 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2COC[C@@H]2C1)c1ccccc1 ZINC000662029562 452781850 /nfs/dbraw/zinc/78/18/50/452781850.db2.gz BCQBNXNRXXWYCE-OKZBNKHCSA-N 1 3 331.460 1.374 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000654740562 452873343 /nfs/dbraw/zinc/87/33/43/452873343.db2.gz JFCNCBHKMHFZGI-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000645884766 452877961 /nfs/dbraw/zinc/87/79/61/452877961.db2.gz QFRRUPRDVQBTJE-GOSISDBHSA-N 1 3 331.460 1.491 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCSc2ccc(F)cc2F)C1 ZINC000662243514 452969355 /nfs/dbraw/zinc/96/93/55/452969355.db2.gz MLRWTSIRUNYKCS-GFCCVEGCSA-N 1 3 343.443 1.844 20 0 EDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(CCc2ccccn2)CC1 ZINC000662259919 452987919 /nfs/dbraw/zinc/98/79/19/452987919.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 1 3 344.503 1.541 20 0 EDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(CCc2ccccn2)CC1 ZINC000662259919 452987923 /nfs/dbraw/zinc/98/79/23/452987923.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 1 3 344.503 1.541 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002829 452997356 /nfs/dbraw/zinc/99/73/56/452997356.db2.gz GTPQVNRVPQHFBN-RCCFBDPRSA-N 1 3 336.524 1.523 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)ncn3)CC2)CC1 ZINC000654965611 453083204 /nfs/dbraw/zinc/08/32/04/453083204.db2.gz GCMHYBFLOJGEPK-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000658541369 453099190 /nfs/dbraw/zinc/09/91/90/453099190.db2.gz LTAZHSUUMXAVNU-KRWDZBQOSA-N 1 3 344.459 1.194 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)N2CCCC2)cc1 ZINC000662426305 453132828 /nfs/dbraw/zinc/13/28/28/453132828.db2.gz WWPXHMHHFXZSRM-QGZVFWFLSA-N 1 3 342.447 1.112 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000646124978 453140194 /nfs/dbraw/zinc/14/01/94/453140194.db2.gz BCPCFLMCWQPOIH-AWEZNQCLSA-N 1 3 332.448 1.133 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@H](O)C3)CC2)CC1 ZINC000655023100 453146374 /nfs/dbraw/zinc/14/63/74/453146374.db2.gz RXJJYMLFVLOILH-QAPCUYQASA-N 1 3 337.508 1.460 20 0 EDADHO C[N@H+](CCNC(=O)C(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000666804279 453157628 /nfs/dbraw/zinc/15/76/28/453157628.db2.gz KTGNVYHOXUUKDD-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CN)c1)C1CCCCC1 ZINC000666804279 453157634 /nfs/dbraw/zinc/15/76/34/453157634.db2.gz KTGNVYHOXUUKDD-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@@H](CCNC(=O)NCc1ccnc(OCCN(C)C)c1)[NH+](C)C ZINC000664550855 453187802 /nfs/dbraw/zinc/18/78/02/453187802.db2.gz JDKQPIXUWKRVQM-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(CN)c3)C2)CC1 ZINC000666922897 453246054 /nfs/dbraw/zinc/24/60/54/453246054.db2.gz MHALEAMFJVNGRK-MRXNPFEDSA-N 1 3 344.459 1.274 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666973295 453289585 /nfs/dbraw/zinc/28/95/85/453289585.db2.gz TZJIKMNAHHXKGX-QGZVFWFLSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114012 453301947 /nfs/dbraw/zinc/30/19/47/453301947.db2.gz VTVQGEOOMPHBCY-VKJFTORMSA-N 1 3 349.500 1.312 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000664676318 453310339 /nfs/dbraw/zinc/31/03/39/453310339.db2.gz ZMQCXBRPIOGDIH-XIRDDKMYSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000664676318 453310342 /nfs/dbraw/zinc/31/03/42/453310342.db2.gz ZMQCXBRPIOGDIH-XIRDDKMYSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125341 453320059 /nfs/dbraw/zinc/32/00/59/453320059.db2.gz WPZMYNQEQCCYFX-QGZVFWFLSA-N 1 3 330.476 1.040 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660171 453373495 /nfs/dbraw/zinc/37/34/95/453373495.db2.gz YZFKINXCQYWALX-KBPBESRZSA-N 1 3 329.366 1.651 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660171 453373506 /nfs/dbraw/zinc/37/35/06/453373506.db2.gz YZFKINXCQYWALX-KBPBESRZSA-N 1 3 329.366 1.651 20 0 EDADHO NC1(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)Cc2ccccc2C1 ZINC000653190472 453380376 /nfs/dbraw/zinc/38/03/76/453380376.db2.gz KMLCNBDLOGMPLC-KSZLIROESA-N 1 3 343.471 1.228 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)N)no1 ZINC000662691460 453412404 /nfs/dbraw/zinc/41/24/04/453412404.db2.gz RRBNOTSVEFCIRA-CQSZACIVSA-N 1 3 330.432 1.771 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000662709899 453434848 /nfs/dbraw/zinc/43/48/48/453434848.db2.gz UQSKPSLJNZYJSX-ICSRJNTNSA-N 1 3 343.471 1.287 20 0 EDADHO C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147327 453438468 /nfs/dbraw/zinc/43/84/68/453438468.db2.gz ZOPCNPRBZMATNG-BBRMVZONSA-N 1 3 330.432 1.169 20 0 EDADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)n1 ZINC000662748623 453478123 /nfs/dbraw/zinc/47/81/23/453478123.db2.gz CHMGQKIHUYXLBZ-ZDUSSCGKSA-N 1 3 335.452 1.335 20 0 EDADHO [NH3+]CC1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCCC1 ZINC000662860969 453576756 /nfs/dbraw/zinc/57/67/56/453576756.db2.gz WHNMHSQHLNXRSI-QGZVFWFLSA-N 1 3 331.460 1.389 20 0 EDADHO CN1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000660821808 453587497 /nfs/dbraw/zinc/58/74/97/453587497.db2.gz KEFFZMUAGKROSS-UHFFFAOYSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnccc1N ZINC000665240318 453620146 /nfs/dbraw/zinc/62/01/46/453620146.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 1 3 326.444 1.912 20 0 EDADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cnccc1N ZINC000665240318 453620148 /nfs/dbraw/zinc/62/01/48/453620148.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 1 3 326.444 1.912 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659092709 453625993 /nfs/dbraw/zinc/62/59/93/453625993.db2.gz YMNXOXUWWILEKF-CYBMUJFWSA-N 1 3 344.459 1.465 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659092709 453625996 /nfs/dbraw/zinc/62/59/96/453625996.db2.gz YMNXOXUWWILEKF-CYBMUJFWSA-N 1 3 344.459 1.465 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000659095328 453627539 /nfs/dbraw/zinc/62/75/39/453627539.db2.gz CEOWNHGRGXXELQ-AWEZNQCLSA-N 1 3 332.448 1.381 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000659307086 453708573 /nfs/dbraw/zinc/70/85/73/453708573.db2.gz LCTDGTMYVVRRMC-RDJZCZTQSA-N 1 3 344.459 1.067 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000659307085 453708867 /nfs/dbraw/zinc/70/88/67/453708867.db2.gz LCTDGTMYVVRRMC-NVXWUHKLSA-N 1 3 344.459 1.067 20 0 EDADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1CNCCC1(F)F ZINC000659355252 453726245 /nfs/dbraw/zinc/72/62/45/453726245.db2.gz MHBMXOQFDSBTAA-KKUMJFAQSA-N 1 3 341.377 1.632 20 0 EDADHO [NH3+]C1CCC(OCC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659371080 453731783 /nfs/dbraw/zinc/73/17/83/453731783.db2.gz YPDJLDSECDQOQA-BDVYOWHSSA-N 1 3 333.432 1.573 20 0 EDADHO COCc1csc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000657349475 453771515 /nfs/dbraw/zinc/77/15/15/453771515.db2.gz IGBVBOBGYZQOSM-CQSZACIVSA-N 1 3 325.478 1.572 20 0 EDADHO CC[C@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416844 453784273 /nfs/dbraw/zinc/78/42/73/453784273.db2.gz XTACPZDHOJUWET-SQNIBIBYSA-N 1 3 333.476 1.433 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000683369926 486698628 /nfs/dbraw/zinc/69/86/28/486698628.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000683369926 486698631 /nfs/dbraw/zinc/69/86/31/486698631.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C[C@@H]1CCOC1 ZINC000681208995 486973484 /nfs/dbraw/zinc/97/34/84/486973484.db2.gz QUUUBBVEUZBXJR-FUHWJXTLSA-N 1 3 333.476 1.764 20 0 EDADHO CC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C[C@@H]1CCOC1 ZINC000681208995 486973489 /nfs/dbraw/zinc/97/34/89/486973489.db2.gz QUUUBBVEUZBXJR-FUHWJXTLSA-N 1 3 333.476 1.764 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000684391525 487047407 /nfs/dbraw/zinc/04/74/07/487047407.db2.gz XVQFXENDULCRMM-OAHLLOKOSA-N 1 3 347.463 1.406 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000684391525 487047411 /nfs/dbraw/zinc/04/74/11/487047411.db2.gz XVQFXENDULCRMM-OAHLLOKOSA-N 1 3 347.463 1.406 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[NH+](C)C ZINC000673864675 487138210 /nfs/dbraw/zinc/13/82/10/487138210.db2.gz CXDSQKJXYLYWDL-MRXNPFEDSA-N 1 3 338.500 1.933 20 0 EDADHO C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044882 487220584 /nfs/dbraw/zinc/22/05/84/487220584.db2.gz RVZMCIPDWLKINU-CRAIPNDOSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405732 486077442 /nfs/dbraw/zinc/07/74/42/486077442.db2.gz XGTBPEWVSZMSJV-ONIAQPFYSA-N 1 3 346.475 1.580 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391772 486094535 /nfs/dbraw/zinc/09/45/35/486094535.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391772 486094539 /nfs/dbraw/zinc/09/45/39/486094539.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 1 3 338.496 1.269 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000669420301 486139956 /nfs/dbraw/zinc/13/99/56/486139956.db2.gz IPQHHGMATCYARH-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000669496432 486270508 /nfs/dbraw/zinc/27/05/08/486270508.db2.gz OGNLJSOFTRXIQJ-CRAIPNDOSA-N 1 3 342.487 1.479 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375567 491012540 /nfs/dbraw/zinc/01/25/40/491012540.db2.gz DRWUXPOPXCEGEJ-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(C)C ZINC000248390371 535420796 /nfs/dbraw/zinc/42/07/96/535420796.db2.gz TZPVVZNSUKHYQX-ROUUACIJSA-N 1 3 333.476 1.600 20 0 EDADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(C)C ZINC000248390371 535420800 /nfs/dbraw/zinc/42/08/00/535420800.db2.gz TZPVVZNSUKHYQX-ROUUACIJSA-N 1 3 333.476 1.600 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262276378 535605002 /nfs/dbraw/zinc/60/50/02/535605002.db2.gz TZFGAPROKWRNED-SFHVURJKSA-N 1 3 348.491 1.244 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000331574468 535752845 /nfs/dbraw/zinc/75/28/45/535752845.db2.gz HWVYJAYAWYTOPP-YOEHRIQHSA-N 1 3 331.464 1.639 20 0 EDADHO CN1CCC(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000332546610 536340668 /nfs/dbraw/zinc/34/06/68/536340668.db2.gz NHHOWMOJMZSRDU-SJORKVTESA-N 1 3 334.439 1.746 20 0 EDADHO COCCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261874460 536731698 /nfs/dbraw/zinc/73/16/98/536731698.db2.gz DLIGASFMGCAKBT-KZNAEPCWSA-N 1 3 334.460 1.959 20 0 EDADHO COCC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261548776 536808059 /nfs/dbraw/zinc/80/80/59/536808059.db2.gz DOOGLFRMMGYQOO-UHFFFAOYSA-N 1 3 345.487 1.783 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734271952 578803955 /nfs/dbraw/zinc/80/39/55/578803955.db2.gz NXWASIZMTWDHDE-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734271952 578803957 /nfs/dbraw/zinc/80/39/57/578803957.db2.gz NXWASIZMTWDHDE-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000750771534 579780617 /nfs/dbraw/zinc/78/06/17/579780617.db2.gz HJFZTLGHJJNTMY-KRWDZBQOSA-N 1 3 332.492 1.562 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000756815402 579957547 /nfs/dbraw/zinc/95/75/47/579957547.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 1 3 326.554 1.913 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815402 579957548 /nfs/dbraw/zinc/95/75/48/579957548.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 1 3 326.554 1.913 20 0 EDADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000764249227 580116516 /nfs/dbraw/zinc/11/65/16/580116516.db2.gz ZRAWAGWMMBSGPW-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCCCC1 ZINC000764249227 580116517 /nfs/dbraw/zinc/11/65/17/580116517.db2.gz ZRAWAGWMMBSGPW-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO O[C@@H](CN1CCC[C@H]1Cn1cnc2ccccc21)C[NH+]1CCCC1 ZINC000769919404 580248537 /nfs/dbraw/zinc/24/85/37/580248537.db2.gz KYRDKXPZAJWPFV-DLBZAZTESA-N 1 3 328.460 1.957 20 0 EDADHO O=C(CN[C@H](CCO)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000771798107 580294328 /nfs/dbraw/zinc/29/43/28/580294328.db2.gz FCPAUBAXQZRIMS-LJQANCHMSA-N 1 3 345.487 1.649 20 0 EDADHO CN(C)Cc1cnc(CNCCC[N@@H+]2CCCN(C)CC2)s1 ZINC000796291073 580950122 /nfs/dbraw/zinc/95/01/22/580950122.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 1 3 325.526 1.322 20 0 EDADHO CN(C)Cc1cnc(CNCCC[N@H+]2CCCN(C)CC2)s1 ZINC000796291073 580950123 /nfs/dbraw/zinc/95/01/23/580950123.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 1 3 325.526 1.322 20 0 EDADHO CN(C)Cc1cnc(CNCCCN2CCC[N@H+](C)CC2)s1 ZINC000796291073 580950124 /nfs/dbraw/zinc/95/01/24/580950124.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 1 3 325.526 1.322 20 0 EDADHO CN(C)Cc1cnc(CNCCCN2CCC[N@@H+](C)CC2)s1 ZINC000796291073 580950125 /nfs/dbraw/zinc/95/01/25/580950125.db2.gz SRIZGOUITKVUDP-UHFFFAOYSA-N 1 3 325.526 1.322 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322276 581025526 /nfs/dbraw/zinc/02/55/26/581025526.db2.gz LSJAZOLMGBSWLL-QILLFSRXSA-N 1 3 339.455 1.981 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000891816095 590634410 /nfs/dbraw/zinc/63/44/10/590634410.db2.gz MJYPJXZUVIEHFW-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000891816095 590634416 /nfs/dbraw/zinc/63/44/16/590634416.db2.gz MJYPJXZUVIEHFW-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857709 590659893 /nfs/dbraw/zinc/65/98/93/590659893.db2.gz DQFLCFHUSMNGQS-KBPBESRZSA-N 1 3 348.438 1.031 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](c1ccccc1)N(C)C ZINC000891894102 590676966 /nfs/dbraw/zinc/67/69/66/590676966.db2.gz AULZULNMXMYFRD-ITQYTPKQSA-N 1 3 330.476 1.929 20 0 EDADHO CN1CCC(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000891949074 590702367 /nfs/dbraw/zinc/70/23/67/590702367.db2.gz LLKNCXXOZVGKAU-UHFFFAOYSA-N 1 3 336.524 1.204 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)CCSC1 ZINC000893416968 590856854 /nfs/dbraw/zinc/85/68/54/590856854.db2.gz NHXRZJNAOILOIV-QGZVFWFLSA-N 1 3 340.537 1.740 20 0 EDADHO [NH3+][C@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000892400648 591011596 /nfs/dbraw/zinc/01/15/96/591011596.db2.gz UGSCDVPJRCLAHM-MSOLQXFVSA-N 1 3 328.460 1.602 20 0 EDADHO CCCN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000892477502 591041129 /nfs/dbraw/zinc/04/11/29/591041129.db2.gz CTYLQQVVEUQVQS-MRXNPFEDSA-N 1 3 334.468 1.756 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489816 591046533 /nfs/dbraw/zinc/04/65/33/591046533.db2.gz MLOAXMNLSDBPNU-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891349474 591054450 /nfs/dbraw/zinc/05/44/50/591054450.db2.gz IJZDFFAADRFYDP-JHJVBQTASA-N 1 3 336.402 1.639 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000891516039 591102321 /nfs/dbraw/zinc/10/23/21/591102321.db2.gz CNNRHSNFCWBDBW-QGZVFWFLSA-N 1 3 346.475 1.276 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891528734 591108627 /nfs/dbraw/zinc/10/86/27/591108627.db2.gz JZDJOGRZOKJRNG-HNNXBMFYSA-N 1 3 340.512 1.789 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000891534181 591110739 /nfs/dbraw/zinc/11/07/39/591110739.db2.gz LCOBSUKNCNQQSP-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000891534181 591110742 /nfs/dbraw/zinc/11/07/42/591110742.db2.gz LCOBSUKNCNQQSP-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876988 591125757 /nfs/dbraw/zinc/12/57/57/591125757.db2.gz DHGCYDXXIQLEOY-XDNAFOTISA-N 1 3 328.460 1.635 20 0 EDADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876988 591125758 /nfs/dbraw/zinc/12/57/58/591125758.db2.gz DHGCYDXXIQLEOY-XDNAFOTISA-N 1 3 328.460 1.635 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576709 591132848 /nfs/dbraw/zinc/13/28/48/591132848.db2.gz NMGJJFXLAHWTQW-HZPDHXFCSA-N 1 3 338.496 1.319 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643864 591165151 /nfs/dbraw/zinc/16/51/51/591165151.db2.gz IQQVMWGGDYNUHS-LEUOFYLZSA-N 1 3 328.460 1.653 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892789742 591180128 /nfs/dbraw/zinc/18/01/28/591180128.db2.gz SNPMFGCUHOMBES-MJGOQNOKSA-N 1 3 328.460 1.486 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000892817412 591192822 /nfs/dbraw/zinc/19/28/22/591192822.db2.gz DIGYHLMCBGDDLJ-YESZJQIVSA-N 1 3 338.496 1.223 20 0 EDADHO COC(=O)[C@@H]1[C@@H](CNCc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190738 591222914 /nfs/dbraw/zinc/22/29/14/591222914.db2.gz WYHLFSMXVLAQKL-CABCVRRESA-N 1 3 342.386 1.771 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798377 591227878 /nfs/dbraw/zinc/22/78/78/591227878.db2.gz MOUCVKNKGOSEDX-NRSFXHEJSA-N 1 3 328.460 1.653 20 0 EDADHO O=C1CC[C@@H]([NH2+]CCC2(O)CCN(Cc3ccccc3)CC2)CCN1 ZINC000895650549 591237963 /nfs/dbraw/zinc/23/79/63/591237963.db2.gz WJNZWMVZHLLWLT-GOSISDBHSA-N 1 3 345.487 1.662 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000895665589 591246221 /nfs/dbraw/zinc/24/62/21/591246221.db2.gz DIWKWZQSNIXRMO-YESZJQIVSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000895666973 591247441 /nfs/dbraw/zinc/24/74/41/591247441.db2.gz UWMPYSDHTYGYCJ-LCMLCXGQSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC2(C1)CO[C@H](C)C2 ZINC000895666973 591247442 /nfs/dbraw/zinc/24/74/42/591247442.db2.gz UWMPYSDHTYGYCJ-LCMLCXGQSA-N 1 3 340.512 1.515 20 0 EDADHO CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCN(C)C1 ZINC000893014829 591254254 /nfs/dbraw/zinc/25/42/54/591254254.db2.gz ZYNALVCCOMVCRS-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN(CC2CCCCC2)CC1 ZINC000895837325 591285310 /nfs/dbraw/zinc/28/53/10/591285310.db2.gz MBGPUYHZAGMDHC-UHFFFAOYSA-N 1 3 349.519 1.822 20 0 EDADHO CN1CCCN(CCC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000894377508 591295385 /nfs/dbraw/zinc/29/53/85/591295385.db2.gz ABQCITRQUFTKFK-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO C[NH2+][C@@H](C)Cc1noc(CCc2ccc(OCCN(C)C)cc2)n1 ZINC000900010451 591866856 /nfs/dbraw/zinc/86/68/56/591866856.db2.gz ROUJEKGWIHDVJU-AWEZNQCLSA-N 1 3 332.448 1.946 20 0 EDADHO CN(C)CCn1nccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000900106906 591909896 /nfs/dbraw/zinc/90/98/96/591909896.db2.gz VTZZOLNWYDEBAK-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CN(C)CCn1nccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000900106906 591909899 /nfs/dbraw/zinc/90/98/99/591909899.db2.gz VTZZOLNWYDEBAK-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CNCC(=O)Nc1cccc(-c2cn(C[C@@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899740550 591928276 /nfs/dbraw/zinc/92/82/76/591928276.db2.gz HNCGIVBTRKGJKY-CQSZACIVSA-N 1 3 342.447 1.493 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900214335 591945073 /nfs/dbraw/zinc/94/50/73/591945073.db2.gz CDIJAKLVNAUFCP-MRXNPFEDSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900214335 591945075 /nfs/dbraw/zinc/94/50/75/591945075.db2.gz CDIJAKLVNAUFCP-MRXNPFEDSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@@H](CN1CCN(c2ccccn2)CC1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331954 591980008 /nfs/dbraw/zinc/98/00/08/591980008.db2.gz XCWWAWPDLWIHOL-ROUUACIJSA-N 1 3 345.535 1.960 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000902362911 591987111 /nfs/dbraw/zinc/98/71/11/591987111.db2.gz JBSDYYBPERFUCU-MRXNPFEDSA-N 1 3 345.553 1.804 20 0 EDADHO c1cc(N[C@H]2CCCOC2)nc(NCCCCC[NH+]2CCNCC2)n1 ZINC000900357986 591994170 /nfs/dbraw/zinc/99/41/70/591994170.db2.gz GJMXYYKIVDCWEC-INIZCTEOSA-N 1 3 348.495 1.555 20 0 EDADHO COC(=O)c1cc(CONC(=N)[C@H]2CN3CCC[C@H]3CO2)oc1C ZINC000902811175 592068469 /nfs/dbraw/zinc/06/84/69/592068469.db2.gz MLBUKGLJZLKEKT-SMDDNHRTSA-N 1 3 337.376 1.236 20 0 EDADHO COC(=O)c1cc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)oc1C ZINC000902811175 592068472 /nfs/dbraw/zinc/06/84/72/592068472.db2.gz MLBUKGLJZLKEKT-SMDDNHRTSA-N 1 3 337.376 1.236 20 0 EDADHO COC(=O)c1cc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)oc1C ZINC000902811175 592068475 /nfs/dbraw/zinc/06/84/75/592068475.db2.gz MLBUKGLJZLKEKT-SMDDNHRTSA-N 1 3 337.376 1.236 20 0 EDADHO CCN1CCN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900686474 592094871 /nfs/dbraw/zinc/09/48/71/592094871.db2.gz MELLDLONHLIIGZ-UHFFFAOYSA-N 1 3 343.475 1.658 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000900720947 592104139 /nfs/dbraw/zinc/10/41/39/592104139.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000900720947 592104141 /nfs/dbraw/zinc/10/41/41/592104141.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903137273 592126174 /nfs/dbraw/zinc/12/61/74/592126174.db2.gz KEWZLDHEZUKXDI-IBWRZXHSSA-N 1 3 341.521 1.404 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277813 592150033 /nfs/dbraw/zinc/15/00/33/592150033.db2.gz CHOUCTLHNIMFFG-MISYRCLQSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277813 592150034 /nfs/dbraw/zinc/15/00/34/592150034.db2.gz CHOUCTLHNIMFFG-MISYRCLQSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1CN(Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1CC[NH3+] ZINC000903496810 592187811 /nfs/dbraw/zinc/18/78/11/592187811.db2.gz FOTCDZKCLGIBNN-DGCLKSJQSA-N 1 3 330.388 1.882 20 0 EDADHO COCCOc1cccc(CNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496748 592187910 /nfs/dbraw/zinc/18/79/10/592187910.db2.gz BOWQYVJENGDFSC-NVXWUHKLSA-N 1 3 349.475 1.245 20 0 EDADHO Cn1ccc(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)n1 ZINC000903564467 592211491 /nfs/dbraw/zinc/21/14/91/592211491.db2.gz WKUNPGCMUGGLRZ-HKUYNNGSSA-N 1 3 328.460 1.530 20 0 EDADHO Brc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCO2 ZINC000903565018 592212379 /nfs/dbraw/zinc/21/23/79/592212379.db2.gz CJKKRWJMTUAGGK-AWEZNQCLSA-N 1 3 340.265 1.768 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000906649929 592234765 /nfs/dbraw/zinc/23/47/65/592234765.db2.gz BPBCWWDSGZZWNK-INIZCTEOSA-N 1 3 344.459 1.419 20 0 EDADHO CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651575 592234962 /nfs/dbraw/zinc/23/49/62/592234962.db2.gz SDHQWIBAIZKCCB-CYBMUJFWSA-N 1 3 332.448 1.277 20 0 EDADHO Cc1cc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])n(C2CCN(C)CC2)n1 ZINC000904366813 592242440 /nfs/dbraw/zinc/24/24/40/592242440.db2.gz PYYVFEVYARLEMY-KSSFIOAISA-N 1 3 346.479 1.803 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906679657 592260743 /nfs/dbraw/zinc/26/07/43/592260743.db2.gz WHWGXIPZPTWIMC-CYBMUJFWSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906679657 592260745 /nfs/dbraw/zinc/26/07/45/592260745.db2.gz WHWGXIPZPTWIMC-CYBMUJFWSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906658713 592269013 /nfs/dbraw/zinc/26/90/13/592269013.db2.gz OHNSXXUSWKONBE-HNNXBMFYSA-N 1 3 346.475 1.568 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906658713 592269017 /nfs/dbraw/zinc/26/90/17/592269017.db2.gz OHNSXXUSWKONBE-HNNXBMFYSA-N 1 3 346.475 1.568 20 0 EDADHO O=C(NC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903718329 592280585 /nfs/dbraw/zinc/28/05/85/592280585.db2.gz KUIFBNXLLGUTLA-AZUAARDMSA-N 1 3 343.471 1.649 20 0 EDADHO O=S(=O)(CCN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749667 592294783 /nfs/dbraw/zinc/29/47/83/592294783.db2.gz ODWGCAGZKFUOOX-CVEARBPZSA-N 1 3 337.489 1.750 20 0 EDADHO NCc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000904649783 592304004 /nfs/dbraw/zinc/30/40/04/592304004.db2.gz WWNCZRKVOLRHJB-SJORKVTESA-N 1 3 332.448 1.645 20 0 EDADHO Cc1cnc(OC2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903766644 592309717 /nfs/dbraw/zinc/30/97/17/592309717.db2.gz BLBTYLQTZKHTNR-QGZVFWFLSA-N 1 3 346.475 1.787 20 0 EDADHO Cc1noc(C[C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824430 592334691 /nfs/dbraw/zinc/33/46/91/592334691.db2.gz QPFRNYWWIFRFNQ-CVEARBPZSA-N 1 3 334.464 1.791 20 0 EDADHO CN1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928150 592381513 /nfs/dbraw/zinc/38/15/13/592381513.db2.gz WJJGYDDBXNOHGD-INIZCTEOSA-N 1 3 326.448 1.655 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1ccccc1 ZINC000903930300 592382189 /nfs/dbraw/zinc/38/21/89/592382189.db2.gz WQJQXBYBPMFDOB-WMZOPIPTSA-N 1 3 326.448 1.349 20 0 EDADHO CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000908238677 592400140 /nfs/dbraw/zinc/40/01/40/592400140.db2.gz BMGIXPPNAXSREH-LJQANCHMSA-N 1 3 339.524 1.948 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905073579 592403179 /nfs/dbraw/zinc/40/31/79/592403179.db2.gz DTCIXENIYXIGAE-QYZOEREBSA-N 1 3 334.460 1.407 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000905073579 592403182 /nfs/dbraw/zinc/40/31/82/592403182.db2.gz DTCIXENIYXIGAE-QYZOEREBSA-N 1 3 334.460 1.407 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908327808 592462633 /nfs/dbraw/zinc/46/26/33/592462633.db2.gz GGQPVMBNSBZMJL-SFHVURJKSA-N 1 3 334.464 1.889 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908327808 592462638 /nfs/dbraw/zinc/46/26/38/592462638.db2.gz GGQPVMBNSBZMJL-SFHVURJKSA-N 1 3 334.464 1.889 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000904295424 592470618 /nfs/dbraw/zinc/47/06/18/592470618.db2.gz POIYSFLXJJTION-RDTXWAMCSA-N 1 3 332.448 1.972 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000905356641 592505517 /nfs/dbraw/zinc/50/55/17/592505517.db2.gz PVXNYOHWQRREOA-MRXNPFEDSA-N 1 3 343.537 1.512 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334268 592509045 /nfs/dbraw/zinc/50/90/45/592509045.db2.gz OKXCVSWMZHQNPD-AWEZNQCLSA-N 1 3 331.526 1.416 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C(C)(C)N1CCCCC1 ZINC000907090031 592516107 /nfs/dbraw/zinc/51/61/07/592516107.db2.gz HOQRCPVFCOSGKP-IKGGRYGDSA-N 1 3 337.508 1.961 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000908605899 592551292 /nfs/dbraw/zinc/55/12/92/592551292.db2.gz BNDMRYGJRGKPJC-SFHVURJKSA-N 1 3 343.487 1.550 20 0 EDADHO Cc1ccc(NC(=O)C23CCN(CC2)C3)cc1NC(=O)CC[NH+](C)C ZINC000907420298 592641467 /nfs/dbraw/zinc/64/14/67/592641467.db2.gz GQVFCGGXZNQCIE-UHFFFAOYSA-N 1 3 344.459 1.920 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)N(C)C ZINC000910860309 592897630 /nfs/dbraw/zinc/89/76/30/592897630.db2.gz AYOXBILOFKIFOT-KRWDZBQOSA-N 1 3 327.513 1.514 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)N(C)C ZINC000910860309 592897631 /nfs/dbraw/zinc/89/76/31/592897631.db2.gz AYOXBILOFKIFOT-KRWDZBQOSA-N 1 3 327.513 1.514 20 0 EDADHO COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc2n1CCN[C@H]2C ZINC000911664189 592973259 /nfs/dbraw/zinc/97/32/59/592973259.db2.gz IXPWTOLKWPZDJH-GXTWGEPZSA-N 1 3 328.416 1.591 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911310410 592985817 /nfs/dbraw/zinc/98/58/17/592985817.db2.gz VHXQIVRAAIHVJO-CSLYMUCUSA-N 1 3 338.496 1.143 20 0 EDADHO CNC1(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CCC1 ZINC000911734759 592992562 /nfs/dbraw/zinc/99/25/62/592992562.db2.gz CHIVVHFIWONGRM-UHFFFAOYSA-N 1 3 331.416 1.676 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927823 593649606 /nfs/dbraw/zinc/64/96/06/593649606.db2.gz NHHVSQOSGZCYJK-QWFCFKBJSA-N 1 3 345.487 1.782 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccccc2Cl)C1 ZINC000819004908 593733513 /nfs/dbraw/zinc/73/35/13/593733513.db2.gz VECGSYZHMMNBSM-BBRMVZONSA-N 1 3 339.867 1.550 20 0 EDADHO COc1cccc([C@@H](O)CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000819062722 593736788 /nfs/dbraw/zinc/73/67/88/593736788.db2.gz SNTWJSYYIROURX-MOPGFXCFSA-N 1 3 334.460 1.962 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000821501611 593847889 /nfs/dbraw/zinc/84/78/89/593847889.db2.gz ZVXQZKOJAHWWMB-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000821501611 593847890 /nfs/dbraw/zinc/84/78/90/593847890.db2.gz ZVXQZKOJAHWWMB-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821188659 593986152 /nfs/dbraw/zinc/98/61/52/593986152.db2.gz BIIZGEOKDCLNRV-QGZVFWFLSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821188659 593986153 /nfs/dbraw/zinc/98/61/53/593986153.db2.gz BIIZGEOKDCLNRV-QGZVFWFLSA-N 1 3 344.463 1.799 20 0 EDADHO CCO[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+](C)C ZINC000831756752 594699899 /nfs/dbraw/zinc/69/98/99/594699899.db2.gz KYQBQTOFTXVRRB-MSOLQXFVSA-N 1 3 348.491 1.377 20 0 EDADHO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841009983 594838371 /nfs/dbraw/zinc/83/83/71/594838371.db2.gz RTJNPGGCDYINPD-WMZOPIPTSA-N 1 3 333.476 1.548 20 0 EDADHO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841009983 594838373 /nfs/dbraw/zinc/83/83/73/594838373.db2.gz RTJNPGGCDYINPD-WMZOPIPTSA-N 1 3 333.476 1.548 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000841018559 594840106 /nfs/dbraw/zinc/84/01/06/594840106.db2.gz WOJCWIPVBBHAMD-YOEHRIQHSA-N 1 3 331.464 1.782 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841018399 594840120 /nfs/dbraw/zinc/84/01/20/594840120.db2.gz VACOCGOEDUHTIB-INIZCTEOSA-N 1 3 331.464 1.702 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841018907 594840237 /nfs/dbraw/zinc/84/02/37/594840237.db2.gz ZIDVMNLRXYEOAW-QGZVFWFLSA-N 1 3 330.476 1.314 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841386212 594891236 /nfs/dbraw/zinc/89/12/36/594891236.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 1 3 343.471 1.414 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841386212 594891239 /nfs/dbraw/zinc/89/12/39/594891239.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 1 3 343.471 1.414 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000836226600 594940315 /nfs/dbraw/zinc/94/03/15/594940315.db2.gz HSUZBLOYZJUGMN-INIZCTEOSA-N 1 3 345.491 1.902 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000836226600 594940317 /nfs/dbraw/zinc/94/03/17/594940317.db2.gz HSUZBLOYZJUGMN-INIZCTEOSA-N 1 3 345.491 1.902 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841801300 594955301 /nfs/dbraw/zinc/95/53/01/594955301.db2.gz PRBUAVBZIXEFDQ-QGZVFWFLSA-N 1 3 334.464 1.098 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)N2CCN(c3ccncc3)CC2)cc1 ZINC000841924704 594983013 /nfs/dbraw/zinc/98/30/13/594983013.db2.gz BXKMEIQDXYEFRC-UHFFFAOYSA-N 1 3 339.443 1.615 20 0 EDADHO COc1cc(-c2noc(C3(C[NH3+])CC3)n2)ccc1OCCN(C)C ZINC000843202371 595032125 /nfs/dbraw/zinc/03/21/25/595032125.db2.gz RCISLIWPGOXTEM-UHFFFAOYSA-N 1 3 332.404 1.676 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000843062667 595277648 /nfs/dbraw/zinc/27/76/48/595277648.db2.gz QZWYOHRTZACCOT-DZGCQCFKSA-N 1 3 348.365 1.665 20 0 EDADHO [NH3+]CCCCCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000844185631 595295930 /nfs/dbraw/zinc/29/59/30/595295930.db2.gz QUJBVRFCQWXCFF-UHFFFAOYSA-N 1 3 346.475 1.970 20 0 EDADHO Cc1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000844185267 595296060 /nfs/dbraw/zinc/29/60/60/595296060.db2.gz FBYFABMBHAVFFP-HNNXBMFYSA-N 1 3 335.452 1.165 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)c3ccco3)CC2)CC1 ZINC000847573713 595450904 /nfs/dbraw/zinc/45/09/04/595450904.db2.gz CXYPFUNGNLAMBN-KRWDZBQOSA-N 1 3 349.475 1.626 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065089 595477092 /nfs/dbraw/zinc/47/70/92/595477092.db2.gz OPDFKMZHBCNETF-GDBMZVCRSA-N 1 3 349.454 1.068 20 0 EDADHO [NH2+]=C(NCC1(CO)CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849079772 595478994 /nfs/dbraw/zinc/47/89/94/595478994.db2.gz LPKYSJIRSUMMBA-UHFFFAOYSA-N 1 3 330.476 1.928 20 0 EDADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@]2(O)CCN(C)C2)c1 ZINC000849084949 595479488 /nfs/dbraw/zinc/47/94/88/595479488.db2.gz FAUIWIUVGIOXNO-KRWDZBQOSA-N 1 3 336.436 1.487 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000849093602 595480357 /nfs/dbraw/zinc/48/03/57/595480357.db2.gz BLJZMXXRRUEKNN-AEFFLSMTSA-N 1 3 346.475 1.523 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096569 595481386 /nfs/dbraw/zinc/48/13/86/595481386.db2.gz VSNYQHYBFRIECQ-LSDHHAIUSA-N 1 3 332.448 1.815 20 0 EDADHO CN1CCC[NH+]=C1NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000849111718 595484068 /nfs/dbraw/zinc/48/40/68/595484068.db2.gz BSCXSEFJOAHXOH-KRWDZBQOSA-N 1 3 343.475 1.165 20 0 EDADHO CN1CCC[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000845444764 595498570 /nfs/dbraw/zinc/49/85/70/595498570.db2.gz FOTCNKXXDKGTTO-KBPBESRZSA-N 1 3 342.484 1.042 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCN(C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554521 /nfs/dbraw/zinc/55/45/21/595554521.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NCCN(C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554523 /nfs/dbraw/zinc/55/45/23/595554523.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 1 3 347.507 1.444 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541607 595560563 /nfs/dbraw/zinc/56/05/63/595560563.db2.gz PKQNZFMAKDHNIF-BHYGNILZSA-N 1 3 335.496 1.302 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562168 /nfs/dbraw/zinc/56/21/68/595562168.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 1 3 347.507 1.256 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562171 /nfs/dbraw/zinc/56/21/71/595562171.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 1 3 347.507 1.256 20 0 EDADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000852829325 595563934 /nfs/dbraw/zinc/56/39/34/595563934.db2.gz HYHTZFMCAYWKKT-CWRNSKLLSA-N 1 3 325.416 1.054 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C1=NO[C@H](CN)C1)Cc1ccccc1 ZINC000852859073 595580991 /nfs/dbraw/zinc/58/09/91/595580991.db2.gz NUPUNHQCNDHECT-HOTGVXAUSA-N 1 3 332.448 1.159 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888221 595600565 /nfs/dbraw/zinc/60/05/65/595600565.db2.gz VNVQCWDYFHHLQE-CWRNSKLLSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888221 595600566 /nfs/dbraw/zinc/60/05/66/595600566.db2.gz VNVQCWDYFHHLQE-CWRNSKLLSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000853741446 595868603 /nfs/dbraw/zinc/86/86/03/595868603.db2.gz ICXGHNBULFZZRO-HOCLYGCPSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941124 /nfs/dbraw/zinc/94/11/24/595941124.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941126 /nfs/dbraw/zinc/94/11/26/595941126.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 1 3 349.523 1.692 20 0 EDADHO CCOC(=O)N1CCC([C@@H](C)NC[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956707 595985732 /nfs/dbraw/zinc/98/57/32/595985732.db2.gz ZVYXHIMMNJFGMB-ZBFHGGJFSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956707 595985739 /nfs/dbraw/zinc/98/57/39/595985739.db2.gz ZVYXHIMMNJFGMB-ZBFHGGJFSA-N 1 3 329.485 1.534 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000861670093 596061884 /nfs/dbraw/zinc/06/18/84/596061884.db2.gz JCQHGXLLZSOFLJ-UHFFFAOYSA-N 1 3 348.491 1.310 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000852629484 596212870 /nfs/dbraw/zinc/21/28/70/596212870.db2.gz CJNMXHOEABDYEX-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000852629484 596212877 /nfs/dbraw/zinc/21/28/77/596212877.db2.gz CJNMXHOEABDYEX-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO COC(=O)/C=C\c1ccc(OCCN2CCC(O)(C[NH3+])CC2)cc1 ZINC000866667508 596285466 /nfs/dbraw/zinc/28/54/66/596285466.db2.gz OJIFMFJDBHNWSB-DAXSKMNVSA-N 1 3 334.416 1.037 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908689 596399943 /nfs/dbraw/zinc/39/99/43/596399943.db2.gz URYAPPXYDVVISR-GLJUWKHASA-N 1 3 337.414 1.982 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1(C)C ZINC000870993722 596432551 /nfs/dbraw/zinc/43/25/51/596432551.db2.gz KZSDDKVEUCKMAK-JEBQAFNWSA-N 1 3 325.497 1.742 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000868096552 596684535 /nfs/dbraw/zinc/68/45/35/596684535.db2.gz QCTXPAAAUVOZOE-CALCHBBNSA-N 1 3 343.475 1.797 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000868167852 596708241 /nfs/dbraw/zinc/70/82/41/596708241.db2.gz NBJLJENJSQUFMT-HNNXBMFYSA-N 1 3 348.447 1.135 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000868167852 596708243 /nfs/dbraw/zinc/70/82/43/596708243.db2.gz NBJLJENJSQUFMT-HNNXBMFYSA-N 1 3 348.447 1.135 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CN1CCN(C)CC1 ZINC000868185698 596715299 /nfs/dbraw/zinc/71/52/99/596715299.db2.gz YRYWQZOQQKHNCP-JCGIZDLHSA-N 1 3 345.491 1.506 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000872257728 596857147 /nfs/dbraw/zinc/85/71/47/596857147.db2.gz VEPZVHMMTCXUQM-RYQLBKOJSA-N 1 3 327.428 1.542 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000876349190 597175732 /nfs/dbraw/zinc/17/57/32/597175732.db2.gz ACBDCLIHGITZTP-OWCLPIDISA-N 1 3 326.485 1.079 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(C)CC1 ZINC000874998245 597236987 /nfs/dbraw/zinc/23/69/87/597236987.db2.gz AQLBTYRIYKXJKG-UHFFFAOYSA-N 1 3 326.485 1.080 20 0 EDADHO Cn1ncc(CN)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721856 597304854 /nfs/dbraw/zinc/30/48/54/597304854.db2.gz XKLPGXINCXWAEA-UHFFFAOYSA-N 1 3 327.432 1.405 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725086 597306765 /nfs/dbraw/zinc/30/67/65/597306765.db2.gz DTTWMYJJAKFHGV-DLBZAZTESA-N 1 3 331.460 1.955 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875346950 597394052 /nfs/dbraw/zinc/39/40/52/597394052.db2.gz TZUORMDQUUHJCX-SOUVJXGZSA-N 1 3 326.485 1.004 20 0 EDADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876978899 597404074 /nfs/dbraw/zinc/40/40/74/597404074.db2.gz QNTDLIBVFPIWOZ-VXGBXAGGSA-N 1 3 326.441 1.430 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000877450909 597517340 /nfs/dbraw/zinc/51/73/40/597517340.db2.gz HVDLYAKOSOEVHF-PMPSAXMXSA-N 1 3 331.464 1.425 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451220 597517375 /nfs/dbraw/zinc/51/73/75/597517375.db2.gz KQFMXDILALVGSW-HUUCEWRRSA-N 1 3 334.489 1.919 20 0 EDADHO CN(CCN1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000883423389 597742026 /nfs/dbraw/zinc/74/20/26/597742026.db2.gz JXVZMRPAMWWBJM-OALUTQOASA-N 1 3 334.483 1.436 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510049 597782231 /nfs/dbraw/zinc/78/22/31/597782231.db2.gz HCJFREWMSSPCGG-RKVPGOIHSA-N 1 3 343.475 1.784 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000883770173 597895299 /nfs/dbraw/zinc/89/52/99/597895299.db2.gz LVOUMVGUDAKADV-BBWFWOEESA-N 1 3 342.528 1.763 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000883770173 597895301 /nfs/dbraw/zinc/89/53/01/597895301.db2.gz LVOUMVGUDAKADV-BBWFWOEESA-N 1 3 342.528 1.763 20 0 EDADHO CCCN(C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882379331 597950942 /nfs/dbraw/zinc/95/09/42/597950942.db2.gz WJGXZJOWGYTIFJ-UHFFFAOYSA-N 1 3 347.503 1.862 20 0 EDADHO CCN1CC[C@H]1CNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000882491036 597975781 /nfs/dbraw/zinc/97/57/81/597975781.db2.gz ADHSIXUTCFQDMG-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H]2NCCc3ccccc32)c1 ZINC000884284750 598054147 /nfs/dbraw/zinc/05/41/47/598054147.db2.gz RJYCBBPFJMRGND-LJQANCHMSA-N 1 3 339.439 1.902 20 0 EDADHO COCC[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000884325614 598068105 /nfs/dbraw/zinc/06/81/05/598068105.db2.gz VZAWXKGAKILBDC-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO COCC[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884325614 598068109 /nfs/dbraw/zinc/06/81/09/598068109.db2.gz VZAWXKGAKILBDC-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO CCCc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000130566316 598115286 /nfs/dbraw/zinc/11/52/86/598115286.db2.gz NEEXYCFSFAJAIY-UHFFFAOYSA-N 1 3 348.491 1.529 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C(C)C ZINC000916160594 696631434 /nfs/dbraw/zinc/63/14/34/696631434.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C(C)C ZINC000916160594 696631435 /nfs/dbraw/zinc/63/14/35/696631435.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940008330 700109903 /nfs/dbraw/zinc/10/99/03/700109903.db2.gz JCDRGZIPMYLJSA-MRXNPFEDSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000940008535 700110427 /nfs/dbraw/zinc/11/04/27/700110427.db2.gz ROSYCHCMDYSSGI-INIZCTEOSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C)cn1 ZINC000939397905 699547469 /nfs/dbraw/zinc/54/74/69/699547469.db2.gz NJMYQKBADOJWOB-YJBOKZPZSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166152 701620020 /nfs/dbraw/zinc/62/00/20/701620020.db2.gz GFTRSCXHLQHZTE-HUUCEWRRSA-N 1 3 332.448 1.453 20 0 EDADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118777 701623523 /nfs/dbraw/zinc/62/35/23/701623523.db2.gz UDOLHPGRYWYLDO-KXBFYZLASA-N 1 3 349.519 1.724 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000940154068 700284261 /nfs/dbraw/zinc/28/42/61/700284261.db2.gz NXWNULGHLREDSI-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940159764 700292953 /nfs/dbraw/zinc/29/29/53/700292953.db2.gz UANMBASLKYTPSS-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000940159764 700292957 /nfs/dbraw/zinc/29/29/57/700292957.db2.gz UANMBASLKYTPSS-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)ncn1 ZINC000940179479 700313257 /nfs/dbraw/zinc/31/32/57/700313257.db2.gz VOPVKCJINDAFIX-QGZVFWFLSA-N 1 3 345.491 1.740 20 0 EDADHO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)cn1 ZINC000995051603 700356952 /nfs/dbraw/zinc/35/69/52/700356952.db2.gz BTJTZJBBWYTAMB-NVXWUHKLSA-N 1 3 347.507 1.669 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328079 700505891 /nfs/dbraw/zinc/50/58/91/700505891.db2.gz FGXKIERFVQBIBU-LSDHHAIUSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328079 700505893 /nfs/dbraw/zinc/50/58/93/700505893.db2.gz FGXKIERFVQBIBU-LSDHHAIUSA-N 1 3 333.480 1.089 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472532 700657788 /nfs/dbraw/zinc/65/77/88/700657788.db2.gz BVRIZJFQFDNLNP-KRWDZBQOSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1oncc1CN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625700 700787738 /nfs/dbraw/zinc/78/77/38/700787738.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1oncc1CN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625700 700787739 /nfs/dbraw/zinc/78/77/39/700787739.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 1 3 334.464 1.794 20 0 EDADHO Cn1nccc1CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842639 700938578 /nfs/dbraw/zinc/93/85/78/700938578.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842639 700938579 /nfs/dbraw/zinc/93/85/79/700938579.db2.gz LBPRFWKBSVKBLD-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943707 701010002 /nfs/dbraw/zinc/01/00/02/701010002.db2.gz NAGSAKXFQOEVQK-CABCVRRESA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943707 701010004 /nfs/dbraw/zinc/01/00/04/701010004.db2.gz NAGSAKXFQOEVQK-CABCVRRESA-N 1 3 325.497 1.458 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943710 701010066 /nfs/dbraw/zinc/01/00/66/701010066.db2.gz NAGSAKXFQOEVQK-LSDHHAIUSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943710 701010068 /nfs/dbraw/zinc/01/00/68/701010068.db2.gz NAGSAKXFQOEVQK-LSDHHAIUSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1nocc1CN1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214845 701401206 /nfs/dbraw/zinc/40/12/06/701401206.db2.gz FABYYIJDWFLPDZ-INIZCTEOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170824 706600301 /nfs/dbraw/zinc/60/03/01/706600301.db2.gz SRNLBXLRBJKGIX-RDJZCZTQSA-N 1 3 348.516 1.874 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205855 702107987 /nfs/dbraw/zinc/10/79/87/702107987.db2.gz KOCQSOMRJFDNGT-QZTJIDSGSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891170 702233709 /nfs/dbraw/zinc/23/37/09/702233709.db2.gz CMLFLLBDEACVOE-DLBZAZTESA-N 1 3 330.476 1.748 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)C1CCC1 ZINC000995920209 702241395 /nfs/dbraw/zinc/24/13/95/702241395.db2.gz TYQAHUWAECPITL-QGZVFWFLSA-N 1 3 347.507 1.274 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@H](NCc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000995929967 702260526 /nfs/dbraw/zinc/26/05/26/702260526.db2.gz XRIORNQRZJPQEL-IRXDYDNUSA-N 1 3 332.492 1.994 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)N(C)C ZINC000996251229 702653116 /nfs/dbraw/zinc/65/31/16/702653116.db2.gz ZYBFWMWJFDINTK-IAGOWNOFSA-N 1 3 349.523 1.375 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H](NCc3cncc(F)c3)C(C)(C)C2)CC1 ZINC000996251620 702653462 /nfs/dbraw/zinc/65/34/62/702653462.db2.gz ZBTWGDPCDQWRQQ-QGZVFWFLSA-N 1 3 348.466 1.889 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996300536 702692357 /nfs/dbraw/zinc/69/23/57/702692357.db2.gz NPEXQXKIJNHHFU-PBHICJAKSA-N 1 3 347.507 1.397 20 0 EDADHO Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996307319 702695157 /nfs/dbraw/zinc/69/51/57/702695157.db2.gz ASRTVYWKBBUJIY-MRXNPFEDSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610820 702916181 /nfs/dbraw/zinc/91/61/81/702916181.db2.gz KVLFOXMFVFBIJL-UKRRQHHQSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610820 702916183 /nfs/dbraw/zinc/91/61/83/702916183.db2.gz KVLFOXMFVFBIJL-UKRRQHHQSA-N 1 3 336.505 1.730 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665251 702967897 /nfs/dbraw/zinc/96/78/97/702967897.db2.gz AQXFTLDAXRNIHR-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1)C1CC1 ZINC000996677537 702976594 /nfs/dbraw/zinc/97/65/94/702976594.db2.gz KQXLFABSSAZTJG-SFHVURJKSA-N 1 3 345.491 1.250 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996688318 702985741 /nfs/dbraw/zinc/98/57/41/702985741.db2.gz IADWCCLWDNZEDU-SFHVURJKSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000996688318 702985744 /nfs/dbraw/zinc/98/57/44/702985744.db2.gz IADWCCLWDNZEDU-SFHVURJKSA-N 1 3 347.507 1.858 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711903 703006971 /nfs/dbraw/zinc/00/69/71/703006971.db2.gz MZDXFWLJCQXGEH-SJORKVTESA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000996711903 703006972 /nfs/dbraw/zinc/00/69/72/703006972.db2.gz MZDXFWLJCQXGEH-SJORKVTESA-N 1 3 345.491 1.518 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1)N(C)C ZINC000996713313 703008193 /nfs/dbraw/zinc/00/81/93/703008193.db2.gz TXRFQGTWUCSGJG-RHSMWYFYSA-N 1 3 333.480 1.767 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996822234 703112234 /nfs/dbraw/zinc/11/22/34/703112234.db2.gz KRCJSCPYPJWOHL-RMXPPQQLSA-N 1 3 333.476 1.230 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)CC1 ZINC000996955257 703224799 /nfs/dbraw/zinc/22/47/99/703224799.db2.gz OJOJBYVCTSSHAZ-UHFFFAOYSA-N 1 3 345.491 1.252 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)nn1 ZINC000996996158 703251830 /nfs/dbraw/zinc/25/18/30/703251830.db2.gz VQAUAYVZJMREDC-AWEZNQCLSA-N 1 3 347.463 1.050 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000996995744 703252503 /nfs/dbraw/zinc/25/25/03/703252503.db2.gz QBUXAIDKWPXAAI-ZDUSSCGKSA-N 1 3 334.464 1.714 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996995929 703252970 /nfs/dbraw/zinc/25/29/70/703252970.db2.gz UJRILUGKNUYVPH-CQSZACIVSA-N 1 3 348.495 1.171 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997004692 703261577 /nfs/dbraw/zinc/26/15/77/703261577.db2.gz FZJYZIKPQBIQLD-CQSZACIVSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)sn1 ZINC000997006304 703263361 /nfs/dbraw/zinc/26/33/61/703263361.db2.gz KSKJNYVKWKPECJ-CYBMUJFWSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057565 703303018 /nfs/dbraw/zinc/30/30/18/703303018.db2.gz KOKMXQUCBHWOHL-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO CC(C)n1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997307013 703565459 /nfs/dbraw/zinc/56/54/59/703565459.db2.gz KZJSOGZWXCXDLX-UHFFFAOYSA-N 1 3 333.480 1.640 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nn1C ZINC000997359253 703589866 /nfs/dbraw/zinc/58/98/66/703589866.db2.gz HJNAMIJGTMPMOB-GJZGRUSLSA-N 1 3 347.507 1.682 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366711 703600826 /nfs/dbraw/zinc/60/08/26/703600826.db2.gz JZRJRTVOWPVMEF-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000997605046 703901109 /nfs/dbraw/zinc/90/11/09/703901109.db2.gz CNVVPCVCUGEQRD-KRWDZBQOSA-N 1 3 346.475 1.513 20 0 EDADHO CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997608326 703905334 /nfs/dbraw/zinc/90/53/34/703905334.db2.gz UYZOVXGFUTURMJ-GOSISDBHSA-N 1 3 348.491 1.968 20 0 EDADHO Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997616126 703915251 /nfs/dbraw/zinc/91/52/51/703915251.db2.gz YSNWAAOYSUZWBC-AWEZNQCLSA-N 1 3 337.493 1.269 20 0 EDADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084027 704153095 /nfs/dbraw/zinc/15/30/95/704153095.db2.gz DQSQBXYLXWSJLG-INIZCTEOSA-N 1 3 333.480 1.557 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033100463 704217948 /nfs/dbraw/zinc/21/79/48/704217948.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 1 3 337.508 1.819 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033100463 704217950 /nfs/dbraw/zinc/21/79/50/704217950.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 1 3 337.508 1.819 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997791928 704700359 /nfs/dbraw/zinc/70/03/59/704700359.db2.gz BMRNMQCZLRDYST-GDBMZVCRSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997791928 704700360 /nfs/dbraw/zinc/70/03/60/704700360.db2.gz BMRNMQCZLRDYST-GDBMZVCRSA-N 1 3 334.464 1.651 20 0 EDADHO C[C@H](NCC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830234 704748802 /nfs/dbraw/zinc/74/88/02/704748802.db2.gz FUGYHVDBTQMVRA-BBRMVZONSA-N 1 3 348.495 1.045 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000997831548 704749870 /nfs/dbraw/zinc/74/98/70/704749870.db2.gz VAKIJSYQOCFDRX-SFHVURJKSA-N 1 3 347.507 1.397 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000997854620 704766688 /nfs/dbraw/zinc/76/66/88/704766688.db2.gz HBLFAKCVMKKSFL-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@@H+]1C ZINC000998004663 705166578 /nfs/dbraw/zinc/16/65/78/705166578.db2.gz MHPPKMZNAUZGAF-RDJZCZTQSA-N 1 3 347.507 1.479 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@H+]1C ZINC000998004663 705166581 /nfs/dbraw/zinc/16/65/81/705166581.db2.gz MHPPKMZNAUZGAF-RDJZCZTQSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000998040256 705229085 /nfs/dbraw/zinc/22/90/85/705229085.db2.gz NMLJKXVRCHLROC-GOSISDBHSA-N 1 3 349.523 1.643 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNCc3ccn(C)n3)CC2)C1 ZINC000998083819 705313031 /nfs/dbraw/zinc/31/30/31/705313031.db2.gz XTTQKPVRPAEGGF-OAHLLOKOSA-N 1 3 333.480 1.090 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3ccn(C)n3)CC2)C1 ZINC000998083819 705313034 /nfs/dbraw/zinc/31/30/34/705313034.db2.gz XTTQKPVRPAEGGF-OAHLLOKOSA-N 1 3 333.480 1.090 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(CNCc3cc(C4CC4)no3)CC2)C1 ZINC000998265376 705632424 /nfs/dbraw/zinc/63/24/24/705632424.db2.gz LTEXNRFRPUPTEL-INIZCTEOSA-N 1 3 346.475 1.832 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(CNCc3cc(C4CC4)no3)CC2)C1 ZINC000998265376 705632426 /nfs/dbraw/zinc/63/24/26/705632426.db2.gz LTEXNRFRPUPTEL-INIZCTEOSA-N 1 3 346.475 1.832 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519305 /nfs/dbraw/zinc/51/93/05/706519305.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519308 /nfs/dbraw/zinc/51/93/08/706519308.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 1 3 349.519 1.820 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999145547 706559089 /nfs/dbraw/zinc/55/90/89/706559089.db2.gz SJDCBIAESQEIPQ-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999145547 706559093 /nfs/dbraw/zinc/55/90/93/706559093.db2.gz SJDCBIAESQEIPQ-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349243 706861434 /nfs/dbraw/zinc/86/14/34/706861434.db2.gz RYWZQTOVQCYZRQ-CVEARBPZSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349243 706861437 /nfs/dbraw/zinc/86/14/37/706861437.db2.gz RYWZQTOVQCYZRQ-CVEARBPZSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999349456 706861551 /nfs/dbraw/zinc/86/15/51/706861551.db2.gz STIAMEOSKCYCGR-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999469370 706978684 /nfs/dbraw/zinc/97/86/84/706978684.db2.gz KYYVGAFPRHWNHK-UHFFFAOYSA-N 1 3 341.459 1.797 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)cc2C)C1)N(C)C ZINC000999490498 707026615 /nfs/dbraw/zinc/02/66/15/707026615.db2.gz QNIXEKNFJWZERX-DLBZAZTESA-N 1 3 335.496 1.421 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946784890 707316083 /nfs/dbraw/zinc/31/60/83/707316083.db2.gz ZDUGAVJCNXOOGG-BDXSIMOUSA-N 1 3 337.508 1.534 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946784890 707316088 /nfs/dbraw/zinc/31/60/88/707316088.db2.gz ZDUGAVJCNXOOGG-BDXSIMOUSA-N 1 3 337.508 1.534 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000999876577 707524130 /nfs/dbraw/zinc/52/41/30/707524130.db2.gz OJRWBUYNMSLZCJ-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000999876577 707524135 /nfs/dbraw/zinc/52/41/35/707524135.db2.gz OJRWBUYNMSLZCJ-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO Cn1cc(CN2CCC(C3(NC(=O)[C@H]4CC[N@H+](C)C4)CC3)CC2)cn1 ZINC001000331071 707990661 /nfs/dbraw/zinc/99/06/61/707990661.db2.gz AKURUVZWZCDZFP-INIZCTEOSA-N 1 3 345.491 1.233 20 0 EDADHO Cn1cc(CN2CCC(C3(NC(=O)[C@H]4CC[N@@H+](C)C4)CC3)CC2)cn1 ZINC001000331071 707990663 /nfs/dbraw/zinc/99/06/63/707990663.db2.gz AKURUVZWZCDZFP-INIZCTEOSA-N 1 3 345.491 1.233 20 0 EDADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001032800709 708083385 /nfs/dbraw/zinc/08/33/85/708083385.db2.gz VUMHKTPBNXQCFG-NJAFHUGGSA-N 1 3 343.471 1.683 20 0 EDADHO CCOC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)C1 ZINC001032802001 708085055 /nfs/dbraw/zinc/08/50/55/708085055.db2.gz OUYSWBXWWOLNAL-YBXZHIRMSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCCN(CCF)C2 ZINC001040532711 708111537 /nfs/dbraw/zinc/11/15/37/708111537.db2.gz ZJEBGNTTZONUOP-AEFFLSMTSA-N 1 3 341.471 1.239 20 0 EDADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCF)C2 ZINC001040532711 708111538 /nfs/dbraw/zinc/11/15/38/708111538.db2.gz ZJEBGNTTZONUOP-AEFFLSMTSA-N 1 3 341.471 1.239 20 0 EDADHO C[C@H](CN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCF)C2 ZINC001040532711 708111540 /nfs/dbraw/zinc/11/15/40/708111540.db2.gz ZJEBGNTTZONUOP-AEFFLSMTSA-N 1 3 341.471 1.239 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(CCCO)C1 ZINC001033576105 708251055 /nfs/dbraw/zinc/25/10/55/708251055.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 1 3 325.497 1.556 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(CCCO)C1 ZINC001033576105 708251057 /nfs/dbraw/zinc/25/10/57/708251057.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 1 3 325.497 1.556 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835458 708339953 /nfs/dbraw/zinc/33/99/53/708339953.db2.gz WSHIXFUDJBNTQY-BEFAXECRSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835458 708339956 /nfs/dbraw/zinc/33/99/56/708339956.db2.gz WSHIXFUDJBNTQY-BEFAXECRSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C)c1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664275 708446027 /nfs/dbraw/zinc/44/60/27/708446027.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664275 708446028 /nfs/dbraw/zinc/44/60/28/708446028.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 1 3 344.503 1.737 20 0 EDADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCn2cccn2)C1 ZINC001033830617 708852988 /nfs/dbraw/zinc/85/29/88/708852988.db2.gz LNAFBUPAMNVVJJ-ROUUACIJSA-N 1 3 345.491 1.148 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034044434 709296635 /nfs/dbraw/zinc/29/66/35/709296635.db2.gz BABVXDGDAPLWJQ-MAUKXSAKSA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034044434 709296636 /nfs/dbraw/zinc/29/66/36/709296636.db2.gz BABVXDGDAPLWJQ-MAUKXSAKSA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001034046156 709298861 /nfs/dbraw/zinc/29/88/61/709298861.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 1 3 345.487 1.940 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001034046156 709298864 /nfs/dbraw/zinc/29/88/64/709298864.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 1 3 345.487 1.940 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001002859217 709467079 /nfs/dbraw/zinc/46/70/79/709467079.db2.gz KZOMKKPIOMKISV-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOC3CCC3)CC2)CC[N@H+]1C ZINC001002859217 709467081 /nfs/dbraw/zinc/46/70/81/709467081.db2.gz KZOMKKPIOMKISV-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001002873366 709493776 /nfs/dbraw/zinc/49/37/76/709493776.db2.gz BIPHTEWNCXXMDP-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340465 709804843 /nfs/dbraw/zinc/80/48/43/709804843.db2.gz NWVOJELLJAZGIQ-JKSUJKDBSA-N 1 3 325.497 1.866 20 0 EDADHO COC[C@H](C)[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340465 709804846 /nfs/dbraw/zinc/80/48/46/709804846.db2.gz NWVOJELLJAZGIQ-JKSUJKDBSA-N 1 3 325.497 1.866 20 0 EDADHO C[NH+]1CCC(C(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)CC1 ZINC001003544274 710412449 /nfs/dbraw/zinc/41/24/49/710412449.db2.gz NXMBCAIXAZQSAR-UHFFFAOYSA-N 1 3 345.487 1.601 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628500 710458673 /nfs/dbraw/zinc/45/86/73/710458673.db2.gz RBDGSIAXVPEWAS-DYVFJYSZSA-N 1 3 329.460 1.160 20 0 EDADHO CO[C@H](C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631795 710460675 /nfs/dbraw/zinc/46/06/75/710460675.db2.gz VHAGWASZNBMMFC-MAUKXSAKSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)on1 ZINC001034734803 710917931 /nfs/dbraw/zinc/91/79/31/710917931.db2.gz ZJNHMWQJRWBDLF-FVQBIDKESA-N 1 3 334.464 1.842 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034775497 711048895 /nfs/dbraw/zinc/04/88/95/711048895.db2.gz AYCXWHXLDXVWDW-JYJNAYRXSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775497 711048901 /nfs/dbraw/zinc/04/89/01/711048901.db2.gz AYCXWHXLDXVWDW-JYJNAYRXSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034792391 711119039 /nfs/dbraw/zinc/11/90/39/711119039.db2.gz ILDYHXHXBRNUAW-JYJNAYRXSA-N 1 3 333.480 1.197 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034792391 711119043 /nfs/dbraw/zinc/11/90/43/711119043.db2.gz ILDYHXHXBRNUAW-JYJNAYRXSA-N 1 3 333.480 1.197 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001004052319 711340371 /nfs/dbraw/zinc/34/03/71/711340371.db2.gz GTNXFMTVGUJMQO-INIZCTEOSA-N 1 3 334.464 1.800 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742720 711365030 /nfs/dbraw/zinc/36/50/30/711365030.db2.gz TZIJICOCXGPZQS-HQVVEAJESA-N 1 3 339.455 1.132 20 0 EDADHO COc1ccnc(CNC[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001034958516 711432402 /nfs/dbraw/zinc/43/24/02/711432402.db2.gz JWLDREFPKCACSI-AEFFLSMTSA-N 1 3 346.475 1.511 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1CNCc1ccc(F)cn1)C1CC1 ZINC001034959285 711433806 /nfs/dbraw/zinc/43/38/06/711433806.db2.gz WFOCOOCWDRPBIP-SJORKVTESA-N 1 3 334.439 1.642 20 0 EDADHO Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939827 711442830 /nfs/dbraw/zinc/44/28/30/711442830.db2.gz NKUGAGLSPZPDSE-FVQBIDKESA-N 1 3 334.464 1.712 20 0 EDADHO Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939827 711442833 /nfs/dbraw/zinc/44/28/33/711442833.db2.gz NKUGAGLSPZPDSE-FVQBIDKESA-N 1 3 334.464 1.712 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001034940251 711443410 /nfs/dbraw/zinc/44/34/10/711443410.db2.gz ANGYHODYECWOEJ-QZTJIDSGSA-N 1 3 343.475 1.207 20 0 EDADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004142921 711543007 /nfs/dbraw/zinc/54/30/07/711543007.db2.gz KVWBPSYUAXRIRL-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004142921 711543009 /nfs/dbraw/zinc/54/30/09/711543009.db2.gz KVWBPSYUAXRIRL-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000412208314 303983757 /nfs/dbraw/zinc/98/37/57/303983757.db2.gz ORHHNCHQTHIPKT-LJQANCHMSA-N 1 3 333.476 1.715 20 0 EDADHO O=C(C[NH2+]CC1Cc2ccccc2C1)NCCN1CCCCCC1 ZINC000560547216 306274074 /nfs/dbraw/zinc/27/40/74/306274074.db2.gz OYPRRFXFHRJTJZ-UHFFFAOYSA-N 1 3 329.488 1.983 20 0 EDADHO c1cnc(N2CCN(CCN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970742 306281351 /nfs/dbraw/zinc/28/13/51/306281351.db2.gz TXQGYLDFGGCULA-KURKYZTESA-N 1 3 344.507 1.109 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000371055237 282714714 /nfs/dbraw/zinc/71/47/14/282714714.db2.gz OFKSDYIXOLBNLT-MRXNPFEDSA-N 1 3 334.508 1.987 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc12 ZINC000562329039 306295730 /nfs/dbraw/zinc/29/57/30/306295730.db2.gz CEMGHWNKZTVMDL-ZWKOTPCHSA-N 1 3 343.475 1.744 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000562808604 306309976 /nfs/dbraw/zinc/30/99/76/306309976.db2.gz DYIOERSDYZSDEF-GOEBONIOSA-N 1 3 331.464 1.738 20 0 EDADHO CCC[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000412782795 304037119 /nfs/dbraw/zinc/03/71/19/304037119.db2.gz XNSRTHMEEMPQAQ-GOSISDBHSA-N 1 3 347.503 1.860 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000355066268 295934132 /nfs/dbraw/zinc/93/41/32/295934132.db2.gz SYBVTQIPSIKHEJ-OAGGEKHMSA-N 1 3 340.512 1.109 20 0 EDADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153788 /nfs/dbraw/zinc/15/37/88/452153788.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 1 3 325.419 1.646 20 0 EDADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818749 452153792 /nfs/dbraw/zinc/15/37/92/452153792.db2.gz CWUBCHQATSLDHO-ZIAGYGMSSA-N 1 3 325.419 1.646 20 0 EDADHO [NH3+]CCC1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000564803222 306365633 /nfs/dbraw/zinc/36/56/33/306365633.db2.gz PSKLGDQSBPLPHK-UHFFFAOYSA-N 1 3 344.503 1.392 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837926 306366398 /nfs/dbraw/zinc/36/63/98/306366398.db2.gz SEXSGXYRODXWOR-YVWKXTFCSA-N 1 3 327.472 1.860 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000565646562 306388756 /nfs/dbraw/zinc/38/87/56/306388756.db2.gz FASKSCQOLFUGCJ-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565954165 306395660 /nfs/dbraw/zinc/39/56/60/306395660.db2.gz MZDOKOVCHZEDSR-SJLPKXTDSA-N 1 3 328.460 1.647 20 0 EDADHO Cc1cccc(CC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414480759 304117992 /nfs/dbraw/zinc/11/79/92/304117992.db2.gz JPXRTKKYYCBBSS-UHFFFAOYSA-N 1 3 331.504 1.924 20 0 EDADHO CN(C)c1ccccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414487096 304118992 /nfs/dbraw/zinc/11/89/92/304118992.db2.gz RXNOZOVARKDXIC-UHFFFAOYSA-N 1 3 346.519 1.639 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000414696547 304128740 /nfs/dbraw/zinc/12/87/40/304128740.db2.gz GKMJEUFPAFGKGR-ZIAGYGMSSA-N 1 3 332.448 1.493 20 0 EDADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414700202 304129510 /nfs/dbraw/zinc/12/95/10/304129510.db2.gz JEOCLFAETYJUKQ-UHFFFAOYSA-N 1 3 330.432 1.076 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000414740187 304135122 /nfs/dbraw/zinc/13/51/22/304135122.db2.gz JOCXUBHCPXUYIV-CABCVRRESA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414747044 304136642 /nfs/dbraw/zinc/13/66/42/304136642.db2.gz GQAUWCMUCDMUOQ-CZUORRHYSA-N 1 3 334.464 1.737 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765211 304138713 /nfs/dbraw/zinc/13/87/13/304138713.db2.gz ZNBBQLNWSDEELU-HOTGVXAUSA-N 1 3 348.466 1.770 20 0 EDADHO COc1ccc(OC)c(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414991484 304148586 /nfs/dbraw/zinc/14/85/86/304148586.db2.gz QHVLANLFBCIEAB-APWZRJJASA-N 1 3 347.459 1.440 20 0 EDADHO CC([NH2+]C(C)C1CCCN(C(=O)OC(C)(C)C)C1)C(=O)NC(N)=O ZINC000495271959 296143703 /nfs/dbraw/zinc/14/37/03/296143703.db2.gz WIRMRWNIMLTDGU-GRYCIOLGSA-N 1 3 342.440 1.195 20 0 EDADHO COc1cc(CN2CC[C@@H](NC[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077083 304157732 /nfs/dbraw/zinc/15/77/32/304157732.db2.gz DSMBJZIBQJWPLL-APWZRJJASA-N 1 3 333.476 1.867 20 0 EDADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156534 304167047 /nfs/dbraw/zinc/16/70/47/304167047.db2.gz ZUVVKKLJBBUJGX-DLBZAZTESA-N 1 3 344.459 1.430 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236661677 139027973 /nfs/dbraw/zinc/02/79/73/139027973.db2.gz CTORYYKPQJXBHK-KZNAEPCWSA-N 1 3 331.460 1.299 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)(C)N)cc1OC ZINC000236870554 139033939 /nfs/dbraw/zinc/03/39/39/139033939.db2.gz YJUJRMWTAARBBL-UHFFFAOYSA-N 1 3 337.464 1.769 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000236951291 139036278 /nfs/dbraw/zinc/03/62/78/139036278.db2.gz BQCDLXWFNQLYSS-QAPCUYQASA-N 1 3 332.492 1.424 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000236959802 139036527 /nfs/dbraw/zinc/03/65/27/139036527.db2.gz JHKCTJBMWGRZBG-SFHVURJKSA-N 1 3 330.476 1.192 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237068540 139039628 /nfs/dbraw/zinc/03/96/28/139039628.db2.gz MZGIBOFXOITWPW-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H](C)C1 ZINC000237486624 139052369 /nfs/dbraw/zinc/05/23/69/139052369.db2.gz NZDIWIFMVNSIHV-KGLIPLIRSA-N 1 3 334.468 1.053 20 0 EDADHO Cc1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)n(C2CCN(C)CC2)n1 ZINC000415252366 304179447 /nfs/dbraw/zinc/17/94/47/304179447.db2.gz ODPMOIOLDUOLNL-CQSZACIVSA-N 1 3 336.484 1.953 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247482521 139150043 /nfs/dbraw/zinc/15/00/43/139150043.db2.gz JWBBJBNFHYRBJS-BRWVUGGUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247482521 139150044 /nfs/dbraw/zinc/15/00/44/139150044.db2.gz JWBBJBNFHYRBJS-BRWVUGGUSA-N 1 3 340.512 1.517 20 0 EDADHO OCC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)COC1 ZINC000248400199 139162032 /nfs/dbraw/zinc/16/20/32/139162032.db2.gz KREKNQSFSPUVIG-CEXWTWQISA-N 1 3 330.472 1.886 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415404747 304214722 /nfs/dbraw/zinc/21/47/22/304214722.db2.gz BRVTUQKLEPESHG-HNNXBMFYSA-N 1 3 346.475 1.501 20 0 EDADHO CC[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112214565 220264465 /nfs/dbraw/zinc/26/44/65/220264465.db2.gz FDUGOWZGPOJSIY-UHFFFAOYSA-N 1 3 342.553 1.989 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000112214565 220264469 /nfs/dbraw/zinc/26/44/69/220264469.db2.gz FDUGOWZGPOJSIY-UHFFFAOYSA-N 1 3 342.553 1.989 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)N1CCO[C@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284603 296294164 /nfs/dbraw/zinc/29/41/64/296294164.db2.gz DHEAFWZWNVTYJS-ZACQAIPSSA-N 1 3 335.492 1.620 20 0 EDADHO CN(C)c1ccccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261892429 139234563 /nfs/dbraw/zinc/23/45/63/139234563.db2.gz QRUFIYJKLZFCMK-SJLPKXTDSA-N 1 3 344.503 1.833 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000262064788 139247948 /nfs/dbraw/zinc/24/79/48/139247948.db2.gz OISDOGRMOXBDJB-UKRRQHHQSA-N 1 3 325.478 1.496 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)CC1 ZINC000262129159 139253482 /nfs/dbraw/zinc/25/34/82/139253482.db2.gz ICISCUQOSJYVQK-UHFFFAOYSA-N 1 3 344.503 1.712 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CNCCC1(F)F ZINC000415554873 251007792 /nfs/dbraw/zinc/00/77/92/251007792.db2.gz BKYKLXIUKDFDAY-CQSZACIVSA-N 1 3 326.391 1.909 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415967486 251040493 /nfs/dbraw/zinc/04/04/93/251040493.db2.gz WRKIZGWIUAJMDS-HNNXBMFYSA-N 1 3 333.480 1.949 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000262256765 139264159 /nfs/dbraw/zinc/26/41/59/139264159.db2.gz FLJYUPZHIFEHEC-CRAIPNDOSA-N 1 3 345.487 1.777 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519681 251183142 /nfs/dbraw/zinc/18/31/42/251183142.db2.gz VQWCEGUWEYFASY-ZWKOTPCHSA-N 1 3 348.491 1.747 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417542856 251184870 /nfs/dbraw/zinc/18/48/70/251184870.db2.gz FBHHCPSEYVQOIQ-ZFWWWQNUSA-N 1 3 326.485 1.173 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594641 251201985 /nfs/dbraw/zinc/20/19/85/251201985.db2.gz WOIBDSKUOVBTID-QFBILLFUSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H](C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262456766 139280355 /nfs/dbraw/zinc/28/03/55/139280355.db2.gz IESUYVWFLIYKIN-RVKKMQEKSA-N 1 3 333.476 1.532 20 0 EDADHO CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@H](N)c1ccccc1 ZINC000417836436 251292751 /nfs/dbraw/zinc/29/27/51/251292751.db2.gz ORSZRWFQBBREFB-DLBZAZTESA-N 1 3 345.487 1.927 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000417804964 251276068 /nfs/dbraw/zinc/27/60/68/251276068.db2.gz GZHXDXVAKKWLKB-ZBFHGGJFSA-N 1 3 326.485 1.302 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417801797 251276400 /nfs/dbraw/zinc/27/64/00/251276400.db2.gz DDUGOUHYJRIQIR-HOCLYGCPSA-N 1 3 326.485 1.173 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417808328 251279287 /nfs/dbraw/zinc/27/92/87/251279287.db2.gz LDQBKERERDUGLM-OAHLLOKOSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418110489 251324962 /nfs/dbraw/zinc/32/49/62/251324962.db2.gz FESZAZMDZKPUBA-OWCLPIDISA-N 1 3 326.485 1.256 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113653 251326590 /nfs/dbraw/zinc/32/65/90/251326590.db2.gz JXBQHGLVPKYFFS-ULQDDVLXSA-N 1 3 340.512 1.552 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000418111111 251326799 /nfs/dbraw/zinc/32/67/99/251326799.db2.gz GJMDVUXGWYXHEN-CABCVRRESA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000418197551 251355333 /nfs/dbraw/zinc/35/53/33/251355333.db2.gz TWWRZCZATKOWEX-BGTYHANMSA-N 1 3 328.460 1.653 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418408649 251365807 /nfs/dbraw/zinc/36/58/07/251365807.db2.gz NQRZYSOFODIVRK-MRXNPFEDSA-N 1 3 327.517 1.029 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000262638672 139292195 /nfs/dbraw/zinc/29/21/95/139292195.db2.gz JETMZSKZINLCEO-IAGOWNOFSA-N 1 3 331.460 1.957 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653211 139293309 /nfs/dbraw/zinc/29/33/09/139293309.db2.gz SNNFXLOEGQXOBH-XHSDSOJGSA-N 1 3 344.459 1.450 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262653106 139293406 /nfs/dbraw/zinc/29/34/06/139293406.db2.gz SDGFDHGGJUHSMN-FUHWJXTLSA-N 1 3 332.492 1.466 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262659085 139293883 /nfs/dbraw/zinc/29/38/83/139293883.db2.gz FLJOHVMPCLUJOZ-ZDUSSCGKSA-N 1 3 347.463 1.696 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646392 139292870 /nfs/dbraw/zinc/29/28/70/139292870.db2.gz ODBKQNKTWMYSBT-HOTGVXAUSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262850954 139308014 /nfs/dbraw/zinc/30/80/14/139308014.db2.gz SHIQUHPTBDUDLJ-AEFFLSMTSA-N 1 3 332.492 1.609 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902278 252016622 /nfs/dbraw/zinc/01/66/22/252016622.db2.gz MPUXAODWFXYPGI-YQQAZPJKSA-N 1 3 347.459 1.418 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902278 252016624 /nfs/dbraw/zinc/01/66/24/252016624.db2.gz MPUXAODWFXYPGI-YQQAZPJKSA-N 1 3 347.459 1.418 20 0 EDADHO COc1cc(CN2CC[C@H]([NH2+][C@@H]3CNCC[C@@H]3C)C2)cc(OC)c1 ZINC000422860349 252002040 /nfs/dbraw/zinc/00/20/40/252002040.db2.gz IDBQAUYTYWJWPZ-URLQWDBASA-N 1 3 333.476 1.866 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423790433 252075329 /nfs/dbraw/zinc/07/53/29/252075329.db2.gz GOWSBKHCHFQACA-NLWGTHIKSA-N 1 3 342.487 1.752 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000424443368 252233671 /nfs/dbraw/zinc/23/36/71/252233671.db2.gz XPCUHOWTSRVJAY-OAHLLOKOSA-N 1 3 346.475 1.773 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000424443368 252233673 /nfs/dbraw/zinc/23/36/73/252233673.db2.gz XPCUHOWTSRVJAY-OAHLLOKOSA-N 1 3 346.475 1.773 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000424449937 252235710 /nfs/dbraw/zinc/23/57/10/252235710.db2.gz UXRTWMMCCRJWBN-AWEZNQCLSA-N 1 3 332.448 1.240 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000424449937 252235714 /nfs/dbraw/zinc/23/57/14/252235714.db2.gz UXRTWMMCCRJWBN-AWEZNQCLSA-N 1 3 332.448 1.240 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)CCN2CCCC2)CC1 ZINC000112748168 220396920 /nfs/dbraw/zinc/39/69/20/220396920.db2.gz SEYVFEDUUZUXSQ-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccnn1CCN(C)C ZINC000455662896 254850072 /nfs/dbraw/zinc/85/00/72/254850072.db2.gz WPXIRIFXOPMFCW-UHFFFAOYSA-N 1 3 336.484 1.784 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000471643572 255015459 /nfs/dbraw/zinc/01/54/59/255015459.db2.gz RFFYAIWAZCTTPB-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000154304599 224234392 /nfs/dbraw/zinc/23/43/92/224234392.db2.gz DEXQYQKXPLLMBI-HNNXBMFYSA-N 1 3 334.464 1.837 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000154304599 224234393 /nfs/dbraw/zinc/23/43/93/224234393.db2.gz DEXQYQKXPLLMBI-HNNXBMFYSA-N 1 3 334.464 1.837 20 0 EDADHO C[NH+](C)C/C=C/C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000491889511 255154154 /nfs/dbraw/zinc/15/41/54/255154154.db2.gz VZZIWOBVMRJSNT-DHINHOHASA-N 1 3 344.459 1.440 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCC(=O)NC1(C)C ZINC000495026210 255266151 /nfs/dbraw/zinc/26/61/51/255266151.db2.gz IZVMPVUMGMTFIP-INIZCTEOSA-N 1 3 334.464 1.559 20 0 EDADHO CN(C[C@@H](O)CN1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496231830 255367495 /nfs/dbraw/zinc/36/74/95/255367495.db2.gz ZXCYFLRECRSVQK-OAHLLOKOSA-N 1 3 329.485 1.488 20 0 EDADHO COC(=O)c1cc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000264274743 139392451 /nfs/dbraw/zinc/39/24/51/139392451.db2.gz CCABVCRKIMINSD-ZDUSSCGKSA-N 1 3 338.448 1.899 20 0 EDADHO CN(C)CCN1C[C@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1=O ZINC000266183898 139520032 /nfs/dbraw/zinc/52/00/32/139520032.db2.gz VORMKBNSUHINCS-MRXNPFEDSA-N 1 3 346.475 1.139 20 0 EDADHO c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000271458901 140298343 /nfs/dbraw/zinc/29/83/43/140298343.db2.gz WRXRLLZKGXBHDI-PMACEKPBSA-N 1 3 329.488 1.915 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000271458901 140298345 /nfs/dbraw/zinc/29/83/45/140298345.db2.gz WRXRLLZKGXBHDI-PMACEKPBSA-N 1 3 329.488 1.915 20 0 EDADHO CCO[C@@H](CCN(C)C)C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810306 140354545 /nfs/dbraw/zinc/35/45/45/140354545.db2.gz NASQBDORJZNMMZ-HOTGVXAUSA-N 1 3 342.505 1.795 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810306 140354546 /nfs/dbraw/zinc/35/45/46/140354546.db2.gz NASQBDORJZNMMZ-HOTGVXAUSA-N 1 3 342.505 1.795 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615196 141057312 /nfs/dbraw/zinc/05/73/12/141057312.db2.gz SJBUCSYUAYGGJX-JOCBIADPSA-N 1 3 330.476 1.886 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000333186062 141277802 /nfs/dbraw/zinc/27/78/02/141277802.db2.gz SXMAJMKQUGWTKD-QZTJIDSGSA-N 1 3 343.475 1.995 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000333433976 141316675 /nfs/dbraw/zinc/31/66/75/141316675.db2.gz VCPFIJKGMYPULE-KSZLIROESA-N 1 3 342.487 1.464 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000339608573 142091860 /nfs/dbraw/zinc/09/18/60/142091860.db2.gz QJJZHPFVYJYTIF-MRXNPFEDSA-N 1 3 340.512 1.212 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCC1 ZINC000340184697 142295597 /nfs/dbraw/zinc/29/55/97/142295597.db2.gz ZHAHDWBVGQXVTH-QGZVFWFLSA-N 1 3 337.489 1.787 20 0 EDADHO CCCN1CCC([NH2+]C2CCN(CCCC(=O)OC)CC2)CC1 ZINC000342557795 142732178 /nfs/dbraw/zinc/73/21/78/142732178.db2.gz PRMAOMAHDZASNA-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345706274 143123602 /nfs/dbraw/zinc/12/36/02/143123602.db2.gz GXINTQAUDGWBBY-CABCVRRESA-N 1 3 325.403 1.650 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345706274 143123603 /nfs/dbraw/zinc/12/36/03/143123603.db2.gz GXINTQAUDGWBBY-CABCVRRESA-N 1 3 325.403 1.650 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)N(C)C1 ZINC000345852268 143139706 /nfs/dbraw/zinc/13/97/06/143139706.db2.gz LFDKFVIYBPELEK-HUUCEWRRSA-N 1 3 326.485 1.221 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000346000107 143155915 /nfs/dbraw/zinc/15/59/15/143155915.db2.gz YMRMNGYEBHTKFT-SJORKVTESA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000346000107 143155916 /nfs/dbraw/zinc/15/59/16/143155916.db2.gz YMRMNGYEBHTKFT-SJORKVTESA-N 1 3 335.492 1.765 20 0 EDADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347007877 143270563 /nfs/dbraw/zinc/27/05/63/143270563.db2.gz DPZGEZBTTVLXEE-INIZCTEOSA-N 1 3 341.459 1.672 20 0 EDADHO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000347281639 143303476 /nfs/dbraw/zinc/30/34/76/143303476.db2.gz YLCAKNOIUPENPJ-QYZOEREBSA-N 1 3 347.503 1.680 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)N(C)C1 ZINC000347766556 143360416 /nfs/dbraw/zinc/36/04/16/143360416.db2.gz CAIYNQNBPVEBIA-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351710195 143598008 /nfs/dbraw/zinc/59/80/08/143598008.db2.gz OETRTOBBBULPDF-OAHLLOKOSA-N 1 3 340.512 1.469 20 0 EDADHO COC[C@@]1(CNC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000572825421 306599809 /nfs/dbraw/zinc/59/98/09/306599809.db2.gz HBFRADUZJAFYGK-YOEHRIQHSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000572941198 306604341 /nfs/dbraw/zinc/60/43/41/306604341.db2.gz UVWWHQWPEJZQKM-CJNGLKHVSA-N 1 3 330.432 1.342 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000416841247 304350427 /nfs/dbraw/zinc/35/04/27/304350427.db2.gz LVNKRSUQTSZZQO-KSZLIROESA-N 1 3 330.476 1.410 20 0 EDADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)C1(C(=O)OC)CCC1 ZINC000353336682 149370863 /nfs/dbraw/zinc/37/08/63/149370863.db2.gz NJRHHERNNVENNM-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000416969942 304357354 /nfs/dbraw/zinc/35/73/54/304357354.db2.gz MEMOYTGWDVIDLN-RDJZCZTQSA-N 1 3 348.491 1.814 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000417031061 304362884 /nfs/dbraw/zinc/36/28/84/304362884.db2.gz QGMFPTSBKHLRIT-DLBZAZTESA-N 1 3 332.448 1.193 20 0 EDADHO Cc1ncncc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000573697497 306630665 /nfs/dbraw/zinc/63/06/65/306630665.db2.gz SPENQFSZIMALFY-HNNXBMFYSA-N 1 3 333.480 1.232 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCn2cnnc2C2CC2)[C@@H](C)C1 ZINC000358049340 151247114 /nfs/dbraw/zinc/24/71/14/151247114.db2.gz RCMWQIWPOUYQQJ-RDJZCZTQSA-N 1 3 335.496 1.882 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCn2cnnc2C2CC2)[C@@H](C)C1 ZINC000358049340 151247115 /nfs/dbraw/zinc/24/71/15/151247115.db2.gz RCMWQIWPOUYQQJ-RDJZCZTQSA-N 1 3 335.496 1.882 20 0 EDADHO CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000358050265 151247788 /nfs/dbraw/zinc/24/77/88/151247788.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000358050265 151247790 /nfs/dbraw/zinc/24/77/90/151247790.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000360692000 152155687 /nfs/dbraw/zinc/15/56/87/152155687.db2.gz INGFINNOYLLMGK-UHFFFAOYSA-N 1 3 330.542 1.797 20 0 EDADHO CCn1ccnc1CN(C(=O)CN(C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370165294 155358735 /nfs/dbraw/zinc/35/87/35/155358735.db2.gz VCDCRMIXVSAPCG-INIZCTEOSA-N 1 3 347.507 1.714 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000364945383 153379688 /nfs/dbraw/zinc/37/96/88/153379688.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 1 3 334.508 1.985 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000364945383 153379690 /nfs/dbraw/zinc/37/96/90/153379690.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 1 3 334.508 1.985 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000364945384 153379921 /nfs/dbraw/zinc/37/99/21/153379921.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 1 3 334.508 1.985 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000364945384 153379926 /nfs/dbraw/zinc/37/99/26/153379926.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 1 3 334.508 1.985 20 0 EDADHO CN(C(=O)/C=C/C[NH+](C)C)C1CCN(CCc2ccncc2)CC1 ZINC000365401882 153507662 /nfs/dbraw/zinc/50/76/62/153507662.db2.gz XVMSBNIHKSGFSR-SNAWJCMRSA-N 1 3 330.476 1.665 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)N2CCCC2)cc1 ZINC000417351325 304393983 /nfs/dbraw/zinc/39/39/83/304393983.db2.gz CEZZPNNXUNEEDG-FGTMMUONSA-N 1 3 346.475 1.011 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CCCCC2)C1 ZINC000369559724 155087584 /nfs/dbraw/zinc/08/75/84/155087584.db2.gz HXBFYQTVZOYWRL-IRXDYDNUSA-N 1 3 345.491 1.898 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000183084749 292335199 /nfs/dbraw/zinc/33/51/99/292335199.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183084749 292335202 /nfs/dbraw/zinc/33/52/02/292335202.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO CCC[C@@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)N(C)C ZINC000374258351 157218381 /nfs/dbraw/zinc/21/83/81/157218381.db2.gz VGGADLSYKOMJTA-KRWDZBQOSA-N 1 3 335.496 1.536 20 0 EDADHO CCCN1CCN(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377933427 158032381 /nfs/dbraw/zinc/03/23/81/158032381.db2.gz RFCAGABQJGJCBD-UHFFFAOYSA-N 1 3 348.535 1.633 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417961502 304438899 /nfs/dbraw/zinc/43/88/99/304438899.db2.gz BJYUGZCNEDDULE-ZBFHGGJFSA-N 1 3 331.464 1.677 20 0 EDADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])N(C)C)cc1 ZINC000418210146 304464608 /nfs/dbraw/zinc/46/46/08/304464608.db2.gz SIFHTIBVRMHKKU-RHSMWYFYSA-N 1 3 336.480 1.971 20 0 EDADHO COC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000165897900 226139617 /nfs/dbraw/zinc/13/96/17/226139617.db2.gz QAXJDJOSMVNJEB-GOSISDBHSA-N 1 3 345.487 1.926 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000130543723 287494675 /nfs/dbraw/zinc/49/46/75/287494675.db2.gz PCZOYNKSYAHCFO-UHFFFAOYSA-N 1 3 345.447 1.058 20 0 EDADHO C[NH+](C)CCOc1cc(CNC(=O)NCCN2CCCCC2)ccn1 ZINC000134508348 287556210 /nfs/dbraw/zinc/55/62/10/287556210.db2.gz UYHVPRGBXRUUCF-UHFFFAOYSA-N 1 3 349.479 1.307 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719646 273012329 /nfs/dbraw/zinc/01/23/29/273012329.db2.gz QVLWXZHNGHIMOX-QGZVFWFLSA-N 1 3 330.476 1.375 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1(O)CCN(C)CC1 ZINC000274464439 268142885 /nfs/dbraw/zinc/14/28/85/268142885.db2.gz VULIGUCJXCXJCJ-AWEZNQCLSA-N 1 3 345.443 1.108 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274817310 268213319 /nfs/dbraw/zinc/21/33/19/268213319.db2.gz JASQXGGCSIFCGY-KVSKMBFKSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274817310 268213322 /nfs/dbraw/zinc/21/33/22/268213322.db2.gz JASQXGGCSIFCGY-KVSKMBFKSA-N 1 3 334.460 1.801 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000274919045 268238510 /nfs/dbraw/zinc/23/85/10/268238510.db2.gz JBIUNGRTCZVIEQ-CRAIPNDOSA-N 1 3 347.503 1.689 20 0 EDADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(OC)c1C ZINC000103210738 272918801 /nfs/dbraw/zinc/91/88/01/272918801.db2.gz HUODHXAESIAOKA-UHFFFAOYSA-N 1 3 337.464 1.578 20 0 EDADHO CN(CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916850 273271329 /nfs/dbraw/zinc/27/13/29/273271329.db2.gz COWXROQFODJBDQ-INIZCTEOSA-N 1 3 341.459 1.739 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000658001883 452674348 /nfs/dbraw/zinc/67/43/48/452674348.db2.gz HIPFXKMIMKPABS-KRWDZBQOSA-N 1 3 327.513 1.434 20 0 EDADHO CN(CCCN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccco1 ZINC000655927998 452696606 /nfs/dbraw/zinc/69/66/06/452696606.db2.gz JWIRAJXIXWYWOU-LBPRGKRZSA-N 1 3 336.358 1.633 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)CNC4)C2)C1 ZINC000418581694 277070838 /nfs/dbraw/zinc/07/08/38/277070838.db2.gz MISSVZNKHVHLBH-LJQANCHMSA-N 1 3 328.460 1.917 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)CNC4)C2)C1 ZINC000418581694 277070840 /nfs/dbraw/zinc/07/08/40/277070840.db2.gz MISSVZNKHVHLBH-LJQANCHMSA-N 1 3 328.460 1.917 20 0 EDADHO CN1C[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202440 /nfs/dbraw/zinc/20/24/40/277202440.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 1 3 329.444 1.891 20 0 EDADHO CN1C[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)OC1=O ZINC000496766395 277202441 /nfs/dbraw/zinc/20/24/41/277202441.db2.gz KHMMJEAEQCRMDD-OKZBNKHCSA-N 1 3 329.444 1.891 20 0 EDADHO C[C@H](CN1CCN(C)CC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860204 278192012 /nfs/dbraw/zinc/19/20/12/278192012.db2.gz MAUOMMOJEUJRFQ-KPFFTGBYSA-N 1 3 344.503 1.468 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1N(C)C ZINC000354165691 278257397 /nfs/dbraw/zinc/25/73/97/278257397.db2.gz XKNBZVKWCWHZNO-SFHVURJKSA-N 1 3 348.535 1.793 20 0 EDADHO C[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CCN1Cc1ccccc1 ZINC000269250882 278358060 /nfs/dbraw/zinc/35/80/60/278358060.db2.gz GWOUXMAZOKZAEI-PKOBYXMFSA-N 1 3 345.487 1.878 20 0 EDADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247526785 279029886 /nfs/dbraw/zinc/02/98/86/279029886.db2.gz OPGSNXSPSIZBEM-HZPDHXFCSA-N 1 3 326.485 1.005 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000347072605 279268989 /nfs/dbraw/zinc/26/89/89/279268989.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000347072605 279268993 /nfs/dbraw/zinc/26/89/93/279268993.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000288214773 288433102 /nfs/dbraw/zinc/43/31/02/288433102.db2.gz QMIRJBRTWFBVOX-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000333393012 289400391 /nfs/dbraw/zinc/40/03/91/289400391.db2.gz PAGXMVXMOKBKAM-CTASWTNQSA-N 1 3 326.510 1.111 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CNCCC3(F)F)C2)CC1 ZINC000418772900 289895576 /nfs/dbraw/zinc/89/55/76/289895576.db2.gz UZOQTJGLAUERJZ-KBPBESRZSA-N 1 3 330.423 1.357 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000333407564 290274882 /nfs/dbraw/zinc/27/48/82/290274882.db2.gz QWEFSMRVZVDZRR-BZUAXINKSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000262131253 290391016 /nfs/dbraw/zinc/39/10/16/290391016.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000262131253 290391017 /nfs/dbraw/zinc/39/10/17/290391017.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO COc1c(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c(C)nn1C ZINC000377706921 447306009 /nfs/dbraw/zinc/30/60/09/447306009.db2.gz UQTBWXSFGOQFEB-MRXNPFEDSA-N 1 3 335.496 1.339 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418609087 304518443 /nfs/dbraw/zinc/51/84/43/304518443.db2.gz SGCBYIOKWDTQBA-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843761 304540208 /nfs/dbraw/zinc/54/02/08/304540208.db2.gz SLTKNQDYZZGJQH-GJZGRUSLSA-N 1 3 338.496 1.095 20 0 EDADHO c1cc(N2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)ccn1 ZINC000294285550 303087048 /nfs/dbraw/zinc/08/70/48/303087048.db2.gz TVLKMOFKFNUUEM-KRWDZBQOSA-N 1 3 333.432 1.562 20 0 EDADHO C[C@H](N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)O ZINC000295136631 303177540 /nfs/dbraw/zinc/17/75/40/303177540.db2.gz KKHKUWBKUKHYEH-INIZCTEOSA-N 1 3 347.503 1.990 20 0 EDADHO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2c1CNCC2 ZINC000074532928 303802373 /nfs/dbraw/zinc/80/23/73/303802373.db2.gz GUQPFINQUZJYRB-QGZVFWFLSA-N 1 3 339.443 1.622 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423333968 304892985 /nfs/dbraw/zinc/89/29/85/304892985.db2.gz RZQZHHHBDLNWSU-HUUCEWRRSA-N 1 3 335.496 1.593 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000423375827 304893872 /nfs/dbraw/zinc/89/38/72/304893872.db2.gz IXKCPAJOHCTQMD-OCCSQVGLSA-N 1 3 346.431 1.483 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424008404 304924632 /nfs/dbraw/zinc/92/46/32/304924632.db2.gz HYLUJNWSGHSRLU-DEORAPPZSA-N 1 3 331.435 2.000 20 0 EDADHO C[C@H](C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCCCCC1 ZINC000424007928 304924642 /nfs/dbraw/zinc/92/46/42/304924642.db2.gz GYWRECQRQQKSGW-BPQIPLTHSA-N 1 3 337.508 1.996 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429541884 305031643 /nfs/dbraw/zinc/03/16/43/305031643.db2.gz PPOZUTRLJGEUDS-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429541884 305031644 /nfs/dbraw/zinc/03/16/44/305031644.db2.gz PPOZUTRLJGEUDS-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000430104525 305045649 /nfs/dbraw/zinc/04/56/49/305045649.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 1 3 333.476 1.736 20 0 EDADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000430104525 305045650 /nfs/dbraw/zinc/04/56/50/305045650.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 1 3 333.476 1.736 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581877 305056916 /nfs/dbraw/zinc/05/69/16/305056916.db2.gz IJSSMTRUHQVWMT-HOCLYGCPSA-N 1 3 332.448 1.462 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000430706813 305063046 /nfs/dbraw/zinc/06/30/46/305063046.db2.gz OAVPVZLRTCAGEI-QGZVFWFLSA-N 1 3 331.460 1.920 20 0 EDADHO COCC[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430848027 305065836 /nfs/dbraw/zinc/06/58/36/305065836.db2.gz OHEMMNKUVQWUOA-HXUWFJFHSA-N 1 3 345.487 1.783 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876710 305066804 /nfs/dbraw/zinc/06/68/04/305066804.db2.gz GSBCQUYKXIRJLT-NUEKZKHPSA-N 1 3 344.459 1.450 20 0 EDADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431034321 305073376 /nfs/dbraw/zinc/07/33/76/305073376.db2.gz VZHFRCCOBJBUKQ-HNNXBMFYSA-N 1 3 333.451 1.948 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286092 305104964 /nfs/dbraw/zinc/10/49/64/305104964.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286092 305104965 /nfs/dbraw/zinc/10/49/65/305104965.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388133 305107540 /nfs/dbraw/zinc/10/75/40/305107540.db2.gz LQFIWGNWVUTOEW-HOTGVXAUSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109976 /nfs/dbraw/zinc/10/99/76/305109976.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109977 /nfs/dbraw/zinc/10/99/77/305109977.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439472699 305198242 /nfs/dbraw/zinc/19/82/42/305198242.db2.gz TZRLZDVCMKLHGB-GVDBMIGSSA-N 1 3 325.497 1.412 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439472699 305198243 /nfs/dbraw/zinc/19/82/43/305198243.db2.gz TZRLZDVCMKLHGB-GVDBMIGSSA-N 1 3 325.497 1.412 20 0 EDADHO NCc1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000444265554 305244902 /nfs/dbraw/zinc/24/49/02/305244902.db2.gz APYLCLPBQOZFOB-UHFFFAOYSA-N 1 3 343.431 1.075 20 0 EDADHO CCC[C@]1(COC)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390802 305279802 /nfs/dbraw/zinc/27/98/02/305279802.db2.gz HLZFGMQVKCXFMP-GOSISDBHSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449332391 305311760 /nfs/dbraw/zinc/31/17/60/305311760.db2.gz DBVABKLDCMPUFL-IBGZPJMESA-N 1 3 331.460 1.145 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000458410227 447351098 /nfs/dbraw/zinc/35/10/98/447351098.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000458410227 447351104 /nfs/dbraw/zinc/35/11/04/447351104.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CN1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000535434166 306013617 /nfs/dbraw/zinc/01/36/17/306013617.db2.gz CJSRTISICZRKQH-QZTJIDSGSA-N 1 3 339.443 1.660 20 0 EDADHO CN(C)C1(CNC(=O)N(C)CCC[NH+](C)C)Cc2ccccc2C1 ZINC000542746035 306057304 /nfs/dbraw/zinc/05/73/04/306057304.db2.gz ONRQFWAHSFSZFE-UHFFFAOYSA-N 1 3 332.492 1.679 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCCOC)CC2)CC1 ZINC000553061347 306182383 /nfs/dbraw/zinc/18/23/83/306182383.db2.gz YWMHUOGEWZXABP-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000554515944 306194210 /nfs/dbraw/zinc/19/42/10/306194210.db2.gz YEGDWTUVFQUWIO-UHFFFAOYSA-N 1 3 331.416 1.358 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000555415830 306202262 /nfs/dbraw/zinc/20/22/62/306202262.db2.gz PXLZHFPJDKWYRT-INIZCTEOSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000557137972 306224948 /nfs/dbraw/zinc/22/49/48/306224948.db2.gz QLSSOPXIPJTUKM-XMTFNYHQSA-N 1 3 330.476 1.977 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449708228 447388450 /nfs/dbraw/zinc/38/84/50/447388450.db2.gz GAYIICRLPIWZPM-CYBMUJFWSA-N 1 3 331.416 1.603 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458541228 447405149 /nfs/dbraw/zinc/40/51/49/447405149.db2.gz SBCRASDUGVCQGX-IAGOWNOFSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458541228 447405155 /nfs/dbraw/zinc/40/51/55/447405155.db2.gz SBCRASDUGVCQGX-IAGOWNOFSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000493960437 447420586 /nfs/dbraw/zinc/42/05/86/447420586.db2.gz LWVLHPUCODTOJW-KCQAQPDRSA-N 1 3 332.448 1.306 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458588807 447423825 /nfs/dbraw/zinc/42/38/25/447423825.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458588807 447423829 /nfs/dbraw/zinc/42/38/29/447423829.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808528 447426417 /nfs/dbraw/zinc/42/64/17/447426417.db2.gz UVQODJIZLJDUCX-GASCZTMLSA-N 1 3 338.496 1.143 20 0 EDADHO CN(C)S(=O)(=O)CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057872348 441139773 /nfs/dbraw/zinc/13/97/73/441139773.db2.gz AYHIVZWGESSETI-UHFFFAOYSA-N 1 3 345.553 1.856 20 0 EDADHO CCC[N@H+](C)CC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000063755974 441349879 /nfs/dbraw/zinc/34/98/79/441349879.db2.gz RBDZCBNGNYFPDS-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CCC[N@@H+](C)CC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000063755974 441349883 /nfs/dbraw/zinc/34/98/83/441349883.db2.gz RBDZCBNGNYFPDS-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077574833 441808207 /nfs/dbraw/zinc/80/82/07/441808207.db2.gz UMOFWNYECOXQTQ-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CC(CN1CCCC[C@@H]1CC(N)=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000124234728 441912592 /nfs/dbraw/zinc/91/25/92/441912592.db2.gz PERFRLIKWIXMRE-HZPDHXFCSA-N 1 3 338.496 1.082 20 0 EDADHO CC(CN1CCCC[C@@H]1CC(N)=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000124234728 441912596 /nfs/dbraw/zinc/91/25/96/441912596.db2.gz PERFRLIKWIXMRE-HZPDHXFCSA-N 1 3 338.496 1.082 20 0 EDADHO CC[C@@H](C(=O)NC1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1)N(C)C ZINC000161800317 442034279 /nfs/dbraw/zinc/03/42/79/442034279.db2.gz XKSOQCVXJPMFIR-CKUJCDMFSA-N 1 3 340.512 1.210 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000126566786 442122415 /nfs/dbraw/zinc/12/24/15/442122415.db2.gz IFSLAPOHWMGMRA-XHSDSOJGSA-N 1 3 340.512 1.022 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000152439901 442213160 /nfs/dbraw/zinc/21/31/60/442213160.db2.gz QNNRQTDYIDZDRY-ZIAGYGMSSA-N 1 3 337.489 1.730 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000167231294 442219533 /nfs/dbraw/zinc/21/95/33/442219533.db2.gz JRNWJZFYZWNYCH-QGZVFWFLSA-N 1 3 349.475 1.259 20 0 EDADHO C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000153164879 442265465 /nfs/dbraw/zinc/26/54/65/442265465.db2.gz FINCNRAZXPWTEY-ROUUACIJSA-N 1 3 346.475 1.015 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177060731 442292403 /nfs/dbraw/zinc/29/24/03/442292403.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177060731 442292406 /nfs/dbraw/zinc/29/24/06/442292406.db2.gz SQFPZYBOOAVIEQ-JQHSSLGASA-N 1 3 336.476 1.987 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000153677231 442295535 /nfs/dbraw/zinc/29/55/35/442295535.db2.gz BSAFHCOQXWETLY-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000171196184 442326054 /nfs/dbraw/zinc/32/60/54/442326054.db2.gz FJKKTHFTWAQPJA-INIZCTEOSA-N 1 3 340.512 1.518 20 0 EDADHO COc1ccc(F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000132863857 442401985 /nfs/dbraw/zinc/40/19/85/442401985.db2.gz GBCYPEFKJYTPJE-UHFFFAOYSA-N 1 3 326.416 1.791 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]1 ZINC000134613817 442501334 /nfs/dbraw/zinc/50/13/34/442501334.db2.gz XBVVWQAZXHVOSB-FQEVSTJZSA-N 1 3 345.487 1.792 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872973 442509904 /nfs/dbraw/zinc/50/99/04/442509904.db2.gz KGFLHRLIESWEBV-GOSISDBHSA-N 1 3 330.476 1.050 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000178949056 442535207 /nfs/dbraw/zinc/53/52/07/442535207.db2.gz JLOQDOCJCFBGCL-INIZCTEOSA-N 1 3 330.476 1.558 20 0 EDADHO C[N@H+](CCCC(=O)NC(N)=O)CCC1CCN(c2ccncc2)CC1 ZINC000179388986 442638905 /nfs/dbraw/zinc/63/89/05/442638905.db2.gz PZSQEPBJWWLHRQ-UHFFFAOYSA-N 1 3 347.463 1.595 20 0 EDADHO C[N@@H+](CCCC(=O)NC(N)=O)CCC1CCN(c2ccncc2)CC1 ZINC000179388986 442638910 /nfs/dbraw/zinc/63/89/10/442638910.db2.gz PZSQEPBJWWLHRQ-UHFFFAOYSA-N 1 3 347.463 1.595 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000157923130 442627613 /nfs/dbraw/zinc/62/76/13/442627613.db2.gz ZAETUIPBPYEYFO-CJNGLKHVSA-N 1 3 336.505 1.804 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000188237428 442728139 /nfs/dbraw/zinc/72/81/39/442728139.db2.gz HCYBALWAFPHJJR-HDMKZQKVSA-N 1 3 325.497 1.852 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000188237428 442728141 /nfs/dbraw/zinc/72/81/41/442728141.db2.gz HCYBALWAFPHJJR-HDMKZQKVSA-N 1 3 325.497 1.852 20 0 EDADHO CCOC1CC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398857 442738838 /nfs/dbraw/zinc/73/88/38/442738838.db2.gz OQLVBBQTSORKGJ-FKAKGIQBSA-N 1 3 337.508 1.473 20 0 EDADHO CCOC1CC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398857 442738839 /nfs/dbraw/zinc/73/88/39/442738839.db2.gz OQLVBBQTSORKGJ-FKAKGIQBSA-N 1 3 337.508 1.473 20 0 EDADHO C(N1CC[C@]2(CCOC2)C1)C1(C[N@@H+]2CC[C@]3(CCOC3)C2)COC1 ZINC000182227738 442747864 /nfs/dbraw/zinc/74/78/64/442747864.db2.gz JVOXMVFMBUMKRA-ROUUACIJSA-N 1 3 336.476 1.228 20 0 EDADHO C(N1CC[C@]2(CCOC2)C1)C1(C[N@H+]2CC[C@]3(CCOC3)C2)COC1 ZINC000182227738 442747865 /nfs/dbraw/zinc/74/78/65/442747865.db2.gz JVOXMVFMBUMKRA-ROUUACIJSA-N 1 3 336.476 1.228 20 0 EDADHO O[C@@H](COC[C@H]1CCCO1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080727 442711477 /nfs/dbraw/zinc/71/14/77/442711477.db2.gz YZIFIYBQROMTLG-QZTJIDSGSA-N 1 3 326.481 1.351 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000246581655 442794714 /nfs/dbraw/zinc/79/47/14/442794714.db2.gz VPRPYHQOXBRMCW-KFWWJZLASA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)CO1 ZINC000182538014 442783531 /nfs/dbraw/zinc/78/35/31/442783531.db2.gz GMGFOEFRQCWNST-HUUCEWRRSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000164261962 318428792 /nfs/dbraw/zinc/42/87/92/318428792.db2.gz PZDCKBIHLATTTH-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO CCOC[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247997066 442876842 /nfs/dbraw/zinc/87/68/42/442876842.db2.gz JXSHGONEYJMAEH-MAUKXSAKSA-N 1 3 333.476 1.899 20 0 EDADHO CCOC[C@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247997066 442876846 /nfs/dbraw/zinc/87/68/46/442876846.db2.gz JXSHGONEYJMAEH-MAUKXSAKSA-N 1 3 333.476 1.899 20 0 EDADHO CN(c1ccccc1CNCCn1cncn1)C1CC[NH+](C)CC1 ZINC000268315499 442944670 /nfs/dbraw/zinc/94/46/70/442944670.db2.gz DAVYFNWHUMYPSL-UHFFFAOYSA-N 1 3 328.464 1.598 20 0 EDADHO C[C@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000194939163 442970154 /nfs/dbraw/zinc/97/01/54/442970154.db2.gz JVFLIQRELSGXLB-WFASDCNBSA-N 1 3 329.366 1.904 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nn1C ZINC000195118933 442984300 /nfs/dbraw/zinc/98/43/00/442984300.db2.gz COAORVXJSGNRRZ-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nn1C ZINC000195118933 442984302 /nfs/dbraw/zinc/98/43/02/442984302.db2.gz COAORVXJSGNRRZ-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CN(C)CCN1C[C@@H](C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1=O ZINC000266183897 443049145 /nfs/dbraw/zinc/04/91/45/443049145.db2.gz VORMKBNSUHINCS-INIZCTEOSA-N 1 3 346.475 1.139 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC1CCN(CCOC)CC1 ZINC000190142177 443063112 /nfs/dbraw/zinc/06/31/12/443063112.db2.gz QRSRVJMVTNAUKJ-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000261891205 443173289 /nfs/dbraw/zinc/17/32/89/443173289.db2.gz CFBGXGLQHAYTGQ-JFIYKMOQSA-N 1 3 349.519 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337091 319134255 /nfs/dbraw/zinc/13/42/55/319134255.db2.gz BJVCOJTVOQHKHE-QLFBSQMISA-N 1 3 327.469 1.552 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337091 319134256 /nfs/dbraw/zinc/13/42/56/319134256.db2.gz BJVCOJTVOQHKHE-QLFBSQMISA-N 1 3 327.469 1.552 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343530 319134314 /nfs/dbraw/zinc/13/43/14/319134314.db2.gz WWVHTROXBLLFPI-HZSPNIEDSA-N 1 3 341.477 1.018 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000414682727 319341793 /nfs/dbraw/zinc/34/17/93/319341793.db2.gz AIANMPIQZVWCFD-RTBURBONSA-N 1 3 345.487 1.865 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000414682727 319341794 /nfs/dbraw/zinc/34/17/94/319341794.db2.gz AIANMPIQZVWCFD-RTBURBONSA-N 1 3 345.487 1.865 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415824493 319375347 /nfs/dbraw/zinc/37/53/47/319375347.db2.gz VNQBETWMQSAJCF-QGZVFWFLSA-N 1 3 346.475 1.629 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958639 319384874 /nfs/dbraw/zinc/38/48/74/319384874.db2.gz XGIQNIPXUFFQOT-AWEZNQCLSA-N 1 3 349.483 1.128 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958639 319384875 /nfs/dbraw/zinc/38/48/75/319384875.db2.gz XGIQNIPXUFFQOT-AWEZNQCLSA-N 1 3 349.483 1.128 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827677 319464716 /nfs/dbraw/zinc/46/47/16/319464716.db2.gz RJWYOCCWPBLNBC-CRAIPNDOSA-N 1 3 346.475 1.741 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417368051 319494728 /nfs/dbraw/zinc/49/47/28/319494728.db2.gz QIWTZOOUWVLPGD-OAHLLOKOSA-N 1 3 334.464 1.426 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419125994 319558724 /nfs/dbraw/zinc/55/87/24/319558724.db2.gz VAYUSBVJOKWHNH-CQSZACIVSA-N 1 3 326.485 1.001 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391433 319769763 /nfs/dbraw/zinc/76/97/63/319769763.db2.gz PLJQAMKPWPYXPA-OLZOCXBDSA-N 1 3 338.418 1.059 20 0 EDADHO [NH3+]CC[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000286024442 443627988 /nfs/dbraw/zinc/62/79/88/443627988.db2.gz JWUAGAIPWMKTEE-LJQANCHMSA-N 1 3 344.503 1.929 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000432508895 319954726 /nfs/dbraw/zinc/95/47/26/319954726.db2.gz HCEBLYFJVRZOMC-HKUYNNGSSA-N 1 3 344.503 1.703 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)N1CCCCC1 ZINC000444358750 320127701 /nfs/dbraw/zinc/12/77/01/320127701.db2.gz ARNLTMAQJUMUIG-FUHWJXTLSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)N1CCCCC1 ZINC000444358750 320127704 /nfs/dbraw/zinc/12/77/04/320127704.db2.gz ARNLTMAQJUMUIG-FUHWJXTLSA-N 1 3 339.524 1.801 20 0 EDADHO CN(C)CCOCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455841694 320304454 /nfs/dbraw/zinc/30/44/54/320304454.db2.gz FDVUCKPWHSBHHM-QGZVFWFLSA-N 1 3 334.464 1.935 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000276449669 443709774 /nfs/dbraw/zinc/70/97/74/443709774.db2.gz WFUQOTAOMYOUKT-CQSZACIVSA-N 1 3 334.464 1.533 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000530895393 320642533 /nfs/dbraw/zinc/64/25/33/320642533.db2.gz IEJWMLOQQLECLB-GDBMZVCRSA-N 1 3 326.510 1.303 20 0 EDADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)nnn1-c1ccccc1 ZINC000531357649 320656772 /nfs/dbraw/zinc/65/67/72/320656772.db2.gz PBTMGLISAPXEST-UHFFFAOYSA-N 1 3 344.463 1.141 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000557241795 321001098 /nfs/dbraw/zinc/00/10/98/321001098.db2.gz HMMLYVMKSXGFCQ-NXOAAHMSSA-N 1 3 338.496 1.127 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)C3CC3)CC2)CC1 ZINC000565431835 321186177 /nfs/dbraw/zinc/18/61/77/321186177.db2.gz KPSWLZZBUMAYAG-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041214 321239969 /nfs/dbraw/zinc/23/99/69/321239969.db2.gz ANXWNSLBEBWDIS-DOTOQJQBSA-N 1 3 338.540 1.591 20 0 EDADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000282288722 444138885 /nfs/dbraw/zinc/13/88/85/444138885.db2.gz LLOZPRLFAAWIAW-OAHLLOKOSA-N 1 3 343.479 1.339 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778898 444202186 /nfs/dbraw/zinc/20/21/86/444202186.db2.gz IYHTVTSEMPHCQZ-IAGOWNOFSA-N 1 3 347.459 1.247 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778898 444202187 /nfs/dbraw/zinc/20/21/87/444202187.db2.gz IYHTVTSEMPHCQZ-IAGOWNOFSA-N 1 3 347.459 1.247 20 0 EDADHO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000576864624 321602727 /nfs/dbraw/zinc/60/27/27/321602727.db2.gz XYJMXFPEJNPJPI-IBGZPJMESA-N 1 3 336.476 1.519 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC3=[NH+]CCCN3)CC2)c1 ZINC000303268192 444236119 /nfs/dbraw/zinc/23/61/19/444236119.db2.gz YKXCLETXJSTNLJ-UHFFFAOYSA-N 1 3 329.492 1.836 20 0 EDADHO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)N1CCN(C)CC1 ZINC000326337402 444373968 /nfs/dbraw/zinc/37/39/68/444373968.db2.gz JRCNQDGKLJNUCY-GOSISDBHSA-N 1 3 330.476 1.292 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)CN1 ZINC000333423241 444665991 /nfs/dbraw/zinc/66/59/91/444665991.db2.gz SWKCARLQFMLBJI-MUIFIZLQSA-N 1 3 338.496 1.146 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343973809 444703494 /nfs/dbraw/zinc/70/34/94/444703494.db2.gz GYXFBBGFSXMNAN-HOJAQTOUSA-N 1 3 331.504 1.548 20 0 EDADHO CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341171519 444709499 /nfs/dbraw/zinc/70/94/99/444709499.db2.gz XCXVJEYQQZEHFW-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](COC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000341171519 444709501 /nfs/dbraw/zinc/70/95/01/444709501.db2.gz XCXVJEYQQZEHFW-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000333939292 444724217 /nfs/dbraw/zinc/72/42/17/444724217.db2.gz NDMIYOOVJYWXSD-GJZGRUSLSA-N 1 3 338.496 1.127 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333948636 444727239 /nfs/dbraw/zinc/72/72/39/444727239.db2.gz WMNYHFCLIRYKEI-LSDHHAIUSA-N 1 3 340.537 1.775 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CCN1CCOC[C@H]1C ZINC000344131037 444798704 /nfs/dbraw/zinc/79/87/04/444798704.db2.gz NEYYNHJCQJSHEJ-GOSISDBHSA-N 1 3 326.529 1.057 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCN1CCOC[C@H]1C ZINC000344131037 444798707 /nfs/dbraw/zinc/79/87/07/444798707.db2.gz NEYYNHJCQJSHEJ-GOSISDBHSA-N 1 3 326.529 1.057 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341437866 444831219 /nfs/dbraw/zinc/83/12/19/444831219.db2.gz FBHOUJHLADVBJN-GOSISDBHSA-N 1 3 345.535 1.662 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000341524585 444875464 /nfs/dbraw/zinc/87/54/64/444875464.db2.gz JSULOBGHZPPPGR-AWEZNQCLSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000339060511 445013388 /nfs/dbraw/zinc/01/33/88/445013388.db2.gz ZJVYDJARBKOGKI-LSTHTHJFSA-N 1 3 349.494 1.687 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1CCCC1 ZINC000337568218 445141226 /nfs/dbraw/zinc/14/12/26/445141226.db2.gz BBWFLXJSQHYYHY-INIZCTEOSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1CCCC1 ZINC000337568218 445141232 /nfs/dbraw/zinc/14/12/32/445141232.db2.gz BBWFLXJSQHYYHY-INIZCTEOSA-N 1 3 325.497 1.820 20 0 EDADHO CN1CCC(CNC(=O)[C@H](N)CC(F)F)([NH+]2CCCCC2)CC1 ZINC000345693829 445196826 /nfs/dbraw/zinc/19/68/26/445196826.db2.gz OZZXNJOVQUXABH-CYBMUJFWSA-N 1 3 332.439 1.035 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C1 ZINC000347542816 445242003 /nfs/dbraw/zinc/24/20/03/445242003.db2.gz MOXHEDWQMCYZBH-SOUVJXGZSA-N 1 3 328.501 1.323 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000348323751 445257007 /nfs/dbraw/zinc/25/70/07/445257007.db2.gz WYMIVTDSVGSYOE-IKGGRYGDSA-N 1 3 345.553 1.758 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987899 445260574 /nfs/dbraw/zinc/26/05/74/445260574.db2.gz FDMHNPGMGBBNIZ-QZTJIDSGSA-N 1 3 335.492 1.573 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000351789671 445322461 /nfs/dbraw/zinc/32/24/61/445322461.db2.gz MESFMUQUIYSAJL-NVXWUHKLSA-N 1 3 338.496 1.365 20 0 EDADHO Cc1ccc2nc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)n2c1 ZINC000357105141 445431223 /nfs/dbraw/zinc/43/12/23/445431223.db2.gz NCFRAAOUIDUHGQ-INIZCTEOSA-N 1 3 326.444 1.824 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362495093 445411741 /nfs/dbraw/zinc/41/17/41/445411741.db2.gz VACGIUVICYQTBZ-IJEWVQPXSA-N 1 3 328.526 1.452 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362495093 445411744 /nfs/dbraw/zinc/41/17/44/445411744.db2.gz VACGIUVICYQTBZ-IJEWVQPXSA-N 1 3 328.526 1.452 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359719035 445391140 /nfs/dbraw/zinc/39/11/40/445391140.db2.gz PQFKDUKMDXSRQR-UHFFFAOYSA-N 1 3 331.913 1.881 20 0 EDADHO COCCCOc1cccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000348961061 445456397 /nfs/dbraw/zinc/45/63/97/445456397.db2.gz DTVSXHPMKAZGAX-GOSISDBHSA-N 1 3 333.476 1.581 20 0 EDADHO CCN(C)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cn1 ZINC000349070280 445493909 /nfs/dbraw/zinc/49/39/09/445493909.db2.gz BDZWARHTAXDIEG-UHFFFAOYSA-N 1 3 333.524 1.996 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000349439912 445587973 /nfs/dbraw/zinc/58/79/73/445587973.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000349439912 445587978 /nfs/dbraw/zinc/58/79/78/445587978.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 1 3 340.512 1.214 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544057 /nfs/dbraw/zinc/54/40/57/445544057.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544063 /nfs/dbraw/zinc/54/40/63/445544063.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 1 3 345.491 1.687 20 0 EDADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000360171372 445610355 /nfs/dbraw/zinc/61/03/55/445610355.db2.gz OJXUSLSFWRKULW-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000362936442 445616766 /nfs/dbraw/zinc/61/67/66/445616766.db2.gz VNFKWBXWEPFUHS-FRFSOERESA-N 1 3 335.448 1.124 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@H](O)CN(C)C)cc1 ZINC000362936442 445616770 /nfs/dbraw/zinc/61/67/70/445616770.db2.gz VNFKWBXWEPFUHS-FRFSOERESA-N 1 3 335.448 1.124 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)NCCNc2ccncc2)([NH+](C)C)C1 ZINC000356235550 445690892 /nfs/dbraw/zinc/69/08/92/445690892.db2.gz XQLMLEDYAASWLJ-QAPCUYQASA-N 1 3 333.480 1.725 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353696787 445713973 /nfs/dbraw/zinc/71/39/73/445713973.db2.gz OELACPMOHKHEDP-MRXNPFEDSA-N 1 3 344.503 1.131 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000353705919 445717415 /nfs/dbraw/zinc/71/74/15/445717415.db2.gz OMXUXFQQBPCKLE-MOPGFXCFSA-N 1 3 347.503 1.848 20 0 EDADHO C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)CN1 ZINC000356378199 445760398 /nfs/dbraw/zinc/76/03/98/445760398.db2.gz YUSAOPUORGAOPH-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373038788 445989273 /nfs/dbraw/zinc/98/92/73/445989273.db2.gz WRMJZQAKKWARAU-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000373038788 445989277 /nfs/dbraw/zinc/98/92/77/445989277.db2.gz WRMJZQAKKWARAU-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083473 446015780 /nfs/dbraw/zinc/01/57/80/446015780.db2.gz HRQXZCDRGAGVOV-ZWKOTPCHSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083473 446015785 /nfs/dbraw/zinc/01/57/85/446015785.db2.gz HRQXZCDRGAGVOV-ZWKOTPCHSA-N 1 3 335.492 1.763 20 0 EDADHO CN1CC[NH+](C[C@H]2CCCN(CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119484 446042726 /nfs/dbraw/zinc/04/27/26/446042726.db2.gz ZAALHAGIASLYEE-ZWKOTPCHSA-N 1 3 325.497 1.489 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)NCCN3CCCCC3)n2)CC1 ZINC000369654787 446140422 /nfs/dbraw/zinc/14/04/22/446140422.db2.gz MRERADFVYZPPJT-UHFFFAOYSA-N 1 3 334.468 1.757 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000365277290 446121773 /nfs/dbraw/zinc/12/17/73/446121773.db2.gz TTXRBPAEJZNDPZ-ZACQAIPSSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000365277290 446121780 /nfs/dbraw/zinc/12/17/80/446121780.db2.gz TTXRBPAEJZNDPZ-ZACQAIPSSA-N 1 3 335.492 1.430 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351567710 446165055 /nfs/dbraw/zinc/16/50/55/446165055.db2.gz MIGBOXSAEVXBMU-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544462 446146118 /nfs/dbraw/zinc/14/61/18/446146118.db2.gz UXOWHKKGANSCLM-GOEBONIOSA-N 1 3 346.475 1.100 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369683112 446146569 /nfs/dbraw/zinc/14/65/69/446146569.db2.gz IYJLDSADZXEPHN-AWEZNQCLSA-N 1 3 336.484 2.002 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369683112 446146574 /nfs/dbraw/zinc/14/65/74/446146574.db2.gz IYJLDSADZXEPHN-AWEZNQCLSA-N 1 3 336.484 2.002 20 0 EDADHO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000365325664 446148070 /nfs/dbraw/zinc/14/80/70/446148070.db2.gz KPIMINGKLWANIO-NSHGMRRFSA-N 1 3 343.471 1.224 20 0 EDADHO C[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310939 /nfs/dbraw/zinc/31/09/39/446310939.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 1 3 325.497 1.553 20 0 EDADHO C[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310944 /nfs/dbraw/zinc/31/09/44/446310944.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 1 3 325.497 1.553 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373844661 446336411 /nfs/dbraw/zinc/33/64/11/446336411.db2.gz KSZKSKBCNLZGFV-MRXNPFEDSA-N 1 3 332.452 1.324 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516591 446359939 /nfs/dbraw/zinc/35/99/39/446359939.db2.gz OBUFLGHXYJEEJI-MSOLQXFVSA-N 1 3 348.491 1.747 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418107094 446440876 /nfs/dbraw/zinc/44/08/76/446440876.db2.gz OKMLGUNXTVBOCJ-ITSCGTHASA-N 1 3 336.402 1.827 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000420268978 446441662 /nfs/dbraw/zinc/44/16/62/446441662.db2.gz HHVUADUHUUEJRJ-ZDUSSCGKSA-N 1 3 333.432 1.149 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789271 446442734 /nfs/dbraw/zinc/44/27/34/446442734.db2.gz WMOUUZOKFHXTHO-DLBZAZTESA-N 1 3 333.501 1.814 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417972862 446404535 /nfs/dbraw/zinc/40/45/35/446404535.db2.gz BUPLKIZNGNUGQJ-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417984144 446407377 /nfs/dbraw/zinc/40/73/77/446407377.db2.gz CRNNZVBIQYOHAY-RHSMWYFYSA-N 1 3 334.464 1.050 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)CN1 ZINC000417989375 446408645 /nfs/dbraw/zinc/40/86/45/446408645.db2.gz JKYXJRPYELBLLK-VKJFTORMSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)CN1 ZINC000417989375 446408649 /nfs/dbraw/zinc/40/86/49/446408649.db2.gz JKYXJRPYELBLLK-VKJFTORMSA-N 1 3 346.475 1.145 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000418006859 446413622 /nfs/dbraw/zinc/41/36/22/446413622.db2.gz FMPGLYAMXGJCOG-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418009179 446414532 /nfs/dbraw/zinc/41/45/32/446414532.db2.gz HVSHWWFTDDHKKI-BGTYHANMSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014356 446416386 /nfs/dbraw/zinc/41/63/86/446416386.db2.gz OEGZCGYDOKQFLV-CRAIPNDOSA-N 1 3 330.476 1.900 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418294573 446489258 /nfs/dbraw/zinc/48/92/58/446489258.db2.gz GDNWGZUEXONSOB-UHFFFAOYSA-N 1 3 347.507 1.101 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420334391 446504051 /nfs/dbraw/zinc/50/40/51/446504051.db2.gz UISVRYLMXBZGAV-OWSLCNJRSA-N 1 3 335.492 1.478 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418368566 446516161 /nfs/dbraw/zinc/51/61/61/446516161.db2.gz MVNYEDJAWVOWGS-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO CN(CCCOc1ccccc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330989 446500624 /nfs/dbraw/zinc/50/06/24/446500624.db2.gz IORUFJHTPDQHJW-HDICACEKSA-N 1 3 345.487 1.845 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000375070062 446559795 /nfs/dbraw/zinc/55/97/95/446559795.db2.gz KYVRMUIMWPFHHU-CYBMUJFWSA-N 1 3 343.406 1.845 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000420345450 446517225 /nfs/dbraw/zinc/51/72/25/446517225.db2.gz VLCIKWQAVFLLHP-BBWFWOEESA-N 1 3 329.444 1.038 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CCCCC1 ZINC000418377700 446520707 /nfs/dbraw/zinc/52/07/07/446520707.db2.gz JFOAWEMBQDJGGC-HZPDHXFCSA-N 1 3 326.485 1.040 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423422397 446528492 /nfs/dbraw/zinc/52/84/92/446528492.db2.gz CQHPVMGAMMFEIU-MRXNPFEDSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420354703 446534148 /nfs/dbraw/zinc/53/41/48/446534148.db2.gz BIHRFRBFTKDLDA-FXRXJOCMSA-N 1 3 332.492 1.382 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@H]1c1ccccc1 ZINC000420395463 446569797 /nfs/dbraw/zinc/56/97/97/446569797.db2.gz DIJQIPRCSCCTET-UFYCRDLUSA-N 1 3 325.456 1.564 20 0 EDADHO O=C1N[C@H]2CN(CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397243 446571598 /nfs/dbraw/zinc/57/15/98/446571598.db2.gz FKGOKZYQGUOWLA-DLBZAZTESA-N 1 3 348.516 1.901 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418589857 446605120 /nfs/dbraw/zinc/60/51/20/446605120.db2.gz JNXJUYMCPYFIAJ-OAGGEKHMSA-N 1 3 340.512 1.515 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423745337 446673873 /nfs/dbraw/zinc/67/38/73/446673873.db2.gz MHABTPUSPZQYPY-CVEARBPZSA-N 1 3 339.480 1.252 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000411631295 446628641 /nfs/dbraw/zinc/62/86/41/446628641.db2.gz MBSHMPITDCWSBR-JKSUJKDBSA-N 1 3 325.497 1.770 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368157005 446675833 /nfs/dbraw/zinc/67/58/33/446675833.db2.gz UYGIGVJUWIVZEA-HOTGVXAUSA-N 1 3 334.439 1.015 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418645858 446630077 /nfs/dbraw/zinc/63/00/77/446630077.db2.gz WQJIIQXLMZDGSJ-WMZOPIPTSA-N 1 3 330.476 1.998 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418645858 446630085 /nfs/dbraw/zinc/63/00/85/446630085.db2.gz WQJIIQXLMZDGSJ-WMZOPIPTSA-N 1 3 330.476 1.998 20 0 EDADHO O=S1(=O)CCCN1C1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000371110172 446634977 /nfs/dbraw/zinc/63/49/77/446634977.db2.gz XPURKTHOYILAAM-MYBQVCMBSA-N 1 3 341.521 1.550 20 0 EDADHO O=S1(=O)CCCN1C1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000371110172 446634981 /nfs/dbraw/zinc/63/49/81/446634981.db2.gz XPURKTHOYILAAM-MYBQVCMBSA-N 1 3 341.521 1.550 20 0 EDADHO O=S1(=O)CCCN1C1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000371110172 446634986 /nfs/dbraw/zinc/63/49/86/446634986.db2.gz XPURKTHOYILAAM-MYBQVCMBSA-N 1 3 341.521 1.550 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000423751408 446681520 /nfs/dbraw/zinc/68/15/20/446681520.db2.gz FIMKGQOLTQCFSC-KRWDZBQOSA-N 1 3 344.459 1.393 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000423990769 446811122 /nfs/dbraw/zinc/81/11/22/446811122.db2.gz ZOUAMFCYHZYSGU-YJBOKZPZSA-N 1 3 330.476 1.636 20 0 EDADHO CCCC[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018493 446824728 /nfs/dbraw/zinc/82/47/28/446824728.db2.gz JFHOPHYQQCXBCD-QGZVFWFLSA-N 1 3 332.492 1.614 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccn1 ZINC000424637643 446914289 /nfs/dbraw/zinc/91/42/89/446914289.db2.gz KBZMRSQKWKZJPT-IRXDYDNUSA-N 1 3 335.496 1.709 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1cccn1 ZINC000424637643 446914292 /nfs/dbraw/zinc/91/42/92/446914292.db2.gz KBZMRSQKWKZJPT-IRXDYDNUSA-N 1 3 335.496 1.709 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960162 /nfs/dbraw/zinc/96/01/62/446960162.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 1 3 338.496 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960170 /nfs/dbraw/zinc/96/01/70/446960170.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 1 3 338.496 1.080 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990310 /nfs/dbraw/zinc/99/03/10/446990310.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000421018007 446990318 /nfs/dbraw/zinc/99/03/18/446990318.db2.gz WBJFLNRMJAOVEH-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098755 447000408 /nfs/dbraw/zinc/00/04/08/447000408.db2.gz NCOZNFWADOKHCY-FJIDUMEYSA-N 1 3 334.508 1.146 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000372103329 447002902 /nfs/dbraw/zinc/00/29/02/447002902.db2.gz SZOZJIUDZNLJBW-IBGZPJMESA-N 1 3 348.466 1.142 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000372105768 447004980 /nfs/dbraw/zinc/00/49/80/447004980.db2.gz QMWPYRKUUDLJSJ-IPMKNSEASA-N 1 3 345.487 1.676 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCc4cccnc43)CC2)CC1 ZINC000425154567 447034992 /nfs/dbraw/zinc/03/49/92/447034992.db2.gz IKKSINNTIOQYOQ-SFHVURJKSA-N 1 3 342.487 1.786 20 0 EDADHO C[NH+](C)CCCN[C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000375854908 447102579 /nfs/dbraw/zinc/10/25/79/447102579.db2.gz XAQJNVYAXNHWES-HZPDHXFCSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@H]1CN(C[C@@H](O)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425416877 447153619 /nfs/dbraw/zinc/15/36/19/447153619.db2.gz GYXFBBGFSXMNAN-YSIASYRMSA-N 1 3 331.504 1.548 20 0 EDADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046194 447285186 /nfs/dbraw/zinc/28/51/86/447285186.db2.gz DFMKNXHCMDOGSP-IRXDYDNUSA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046194 447285189 /nfs/dbraw/zinc/28/51/89/447285189.db2.gz DFMKNXHCMDOGSP-IRXDYDNUSA-N 1 3 336.480 1.119 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379682563 447453577 /nfs/dbraw/zinc/45/35/77/447453577.db2.gz XVYSCZTVCMUEBT-WMZOPIPTSA-N 1 3 330.476 1.061 20 0 EDADHO COCCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388919358 447481906 /nfs/dbraw/zinc/48/19/06/447481906.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 1 3 349.519 1.522 20 0 EDADHO COCCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388919358 447481908 /nfs/dbraw/zinc/48/19/08/447481908.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 1 3 349.519 1.522 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000389926178 447488940 /nfs/dbraw/zinc/48/89/40/447488940.db2.gz WKCJTCQREOOKNW-OIISXLGYSA-N 1 3 333.501 1.718 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390925371 447506006 /nfs/dbraw/zinc/50/60/06/447506006.db2.gz JEFWZXWZEGGOSZ-IPMKNSEASA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000398123651 447556100 /nfs/dbraw/zinc/55/61/00/447556100.db2.gz HOZDQMIDUQPTPX-NVXWUHKLSA-N 1 3 331.460 1.534 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427271212 447572119 /nfs/dbraw/zinc/57/21/19/447572119.db2.gz CBOHXNRXIVHFLO-QGZVFWFLSA-N 1 3 344.503 1.440 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000420155152 447643739 /nfs/dbraw/zinc/64/37/39/447643739.db2.gz FCYUKQCKNHHMCF-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416839137 447694502 /nfs/dbraw/zinc/69/45/02/447694502.db2.gz JKONWYDZUOZNAT-GOSISDBHSA-N 1 3 344.503 1.944 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000457982892 447689391 /nfs/dbraw/zinc/68/93/91/447689391.db2.gz KRQGPBKMNXELHN-GOSISDBHSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457982892 447689394 /nfs/dbraw/zinc/68/93/94/447689394.db2.gz KRQGPBKMNXELHN-GOSISDBHSA-N 1 3 338.496 1.225 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835944 447764333 /nfs/dbraw/zinc/76/43/33/447764333.db2.gz ZKWNLOVXBSAHFL-IAGOWNOFSA-N 1 3 332.496 1.096 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794083 447751247 /nfs/dbraw/zinc/75/12/47/447751247.db2.gz GHHOJPVQQSXWIX-GMIGKAJZSA-N 1 3 344.858 1.972 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794083 447751249 /nfs/dbraw/zinc/75/12/49/447751249.db2.gz GHHOJPVQQSXWIX-GMIGKAJZSA-N 1 3 344.858 1.972 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422929095 447774302 /nfs/dbraw/zinc/77/43/02/447774302.db2.gz OGCZPTKOKYQZFK-WBVHZDCISA-N 1 3 339.505 1.934 20 0 EDADHO CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)[C@H]1CCCCN1 ZINC000422960117 447781554 /nfs/dbraw/zinc/78/15/54/447781554.db2.gz AVEHVDLFZTXQFT-OWCLPIDISA-N 1 3 332.496 1.997 20 0 EDADHO CC[C@@H](NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422963776 447782309 /nfs/dbraw/zinc/78/23/09/447782309.db2.gz JLYMXEXSUMHREY-IAGOWNOFSA-N 1 3 345.553 1.947 20 0 EDADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000423111603 447807545 /nfs/dbraw/zinc/80/75/45/447807545.db2.gz QRAZYODNWYCJLZ-XIRDDKMYSA-N 1 3 339.505 1.349 20 0 EDADHO CSC1(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCN(C)CC1 ZINC000575973466 447940483 /nfs/dbraw/zinc/94/04/83/447940483.db2.gz VDMPYUKGJUTRRC-OAHLLOKOSA-N 1 3 328.526 1.503 20 0 EDADHO C[C@@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C(=O)NCCN1CCCCC1 ZINC000575921429 447928038 /nfs/dbraw/zinc/92/80/38/447928038.db2.gz ZUILBUIMXHSCJH-BZUAXINKSA-N 1 3 338.496 1.001 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531064905 448013091 /nfs/dbraw/zinc/01/30/91/448013091.db2.gz SCOZGFKLAGUHLK-UYAOXDASSA-N 1 3 345.487 1.566 20 0 EDADHO CC[C@@H](CCO)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553189617 447976354 /nfs/dbraw/zinc/97/63/54/447976354.db2.gz BEVQHHNWXSZUAR-INIZCTEOSA-N 1 3 339.524 1.708 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399974 448004662 /nfs/dbraw/zinc/00/46/62/448004662.db2.gz VPKDODJFIJTZID-OAHLLOKOSA-N 1 3 344.459 1.451 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000576335475 448029257 /nfs/dbraw/zinc/02/92/57/448029257.db2.gz ILEHXQNUJYZXMY-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C1 ZINC000501728623 448096053 /nfs/dbraw/zinc/09/60/53/448096053.db2.gz MOXHEDWQMCYZBH-ILXRZTDVSA-N 1 3 328.501 1.323 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571169306 448116994 /nfs/dbraw/zinc/11/69/94/448116994.db2.gz MQLUUJBKKGOPJE-QZTJIDSGSA-N 1 3 349.519 1.870 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000571277455 448124605 /nfs/dbraw/zinc/12/46/05/448124605.db2.gz IUYCXVPDBNUJDC-PKOBYXMFSA-N 1 3 348.487 1.825 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626099 448181067 /nfs/dbraw/zinc/18/10/67/448181067.db2.gz SPOJXRZVMXUSFQ-FUHWJXTLSA-N 1 3 338.496 1.272 20 0 EDADHO CN1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532010738 448182681 /nfs/dbraw/zinc/18/26/81/448182681.db2.gz SUHLTYAORQWHIP-OIISXLGYSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532077684 448196464 /nfs/dbraw/zinc/19/64/64/448196464.db2.gz VFVOHYMAKXWCNI-AYBZRNKSSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532077684 448196470 /nfs/dbraw/zinc/19/64/70/448196470.db2.gz VFVOHYMAKXWCNI-AYBZRNKSSA-N 1 3 342.487 1.893 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000572102926 448285550 /nfs/dbraw/zinc/28/55/50/448285550.db2.gz BALZSRGRQVLQBI-UHFFFAOYSA-N 1 3 347.507 1.314 20 0 EDADHO COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000591272098 448302912 /nfs/dbraw/zinc/30/29/12/448302912.db2.gz NDTSGYDENPITOM-KRWDZBQOSA-N 1 3 347.459 1.249 20 0 EDADHO COC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000591272098 448302913 /nfs/dbraw/zinc/30/29/13/448302913.db2.gz NDTSGYDENPITOM-KRWDZBQOSA-N 1 3 347.459 1.249 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000577606366 448340220 /nfs/dbraw/zinc/34/02/20/448340220.db2.gz DUWLPOPNEDLWJZ-GOSISDBHSA-N 1 3 347.507 1.781 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768070 448357232 /nfs/dbraw/zinc/35/72/32/448357232.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768070 448357236 /nfs/dbraw/zinc/35/72/36/448357236.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1OCCN(C)C ZINC000591447029 448366236 /nfs/dbraw/zinc/36/62/36/448366236.db2.gz TYXVXHBEKQQHOQ-OAHLLOKOSA-N 1 3 335.448 1.204 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccc1OCCN(C)C ZINC000591447029 448366239 /nfs/dbraw/zinc/36/62/39/448366239.db2.gz TYXVXHBEKQQHOQ-OAHLLOKOSA-N 1 3 335.448 1.204 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)n3ccnc3)CC2)CC1 ZINC000572249525 448326750 /nfs/dbraw/zinc/32/67/50/448326750.db2.gz OFMBSTHCSICALD-KRWDZBQOSA-N 1 3 347.507 1.853 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)C[C@H](C)n3ccnc3)CC2)CC1 ZINC000572249525 448326752 /nfs/dbraw/zinc/32/67/52/448326752.db2.gz OFMBSTHCSICALD-KRWDZBQOSA-N 1 3 347.507 1.853 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000572264117 448332897 /nfs/dbraw/zinc/33/28/97/448332897.db2.gz XCFXBZAWEIWOOM-HZSPNIEDSA-N 1 3 330.423 1.547 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516263441 448405882 /nfs/dbraw/zinc/40/58/82/448405882.db2.gz OZWGECAUAYPVBC-BDXSIMOUSA-N 1 3 343.475 1.295 20 0 EDADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1cccnc1 ZINC000582900674 448373631 /nfs/dbraw/zinc/37/36/31/448373631.db2.gz RMEOXCFNDGLLNB-IAGOWNOFSA-N 1 3 332.448 1.378 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)N1CCCCC1 ZINC000566294626 448438269 /nfs/dbraw/zinc/43/82/69/448438269.db2.gz ASRDIAJIGTZUFF-SQNIBIBYSA-N 1 3 337.508 1.852 20 0 EDADHO NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759457 448483512 /nfs/dbraw/zinc/48/35/12/448483512.db2.gz RFRCYZRKNCKKDG-GVDBMIGSSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759457 448483517 /nfs/dbraw/zinc/48/35/17/448483517.db2.gz RFRCYZRKNCKKDG-GVDBMIGSSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759457 448483522 /nfs/dbraw/zinc/48/35/22/448483522.db2.gz RFRCYZRKNCKKDG-GVDBMIGSSA-N 1 3 344.459 1.462 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000566524381 448499103 /nfs/dbraw/zinc/49/91/03/448499103.db2.gz NCOLVYPFBNCQET-UHFFFAOYSA-N 1 3 345.535 1.663 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(=O)OC)CC2)CC1 ZINC000516980402 448516174 /nfs/dbraw/zinc/51/61/74/448516174.db2.gz ZSAYCGYFVZMYQT-UHFFFAOYSA-N 1 3 339.480 1.251 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545057 448576206 /nfs/dbraw/zinc/57/62/06/448576206.db2.gz CMOGZASKESTQSZ-GJZGRUSLSA-N 1 3 344.459 1.954 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1COc2ccccc2O1 ZINC000566895557 448578554 /nfs/dbraw/zinc/57/85/54/448578554.db2.gz PWENIDYIYQDJPD-OAHLLOKOSA-N 1 3 335.448 1.168 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584518313 448554223 /nfs/dbraw/zinc/55/42/23/448554223.db2.gz IRAQTACSRZARSQ-MRXNPFEDSA-N 1 3 330.432 1.871 20 0 EDADHO CN(CCC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000539418090 448611357 /nfs/dbraw/zinc/61/13/57/448611357.db2.gz QHYGIMHCTOGJIC-UHFFFAOYSA-N 1 3 346.519 1.999 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495979 448586521 /nfs/dbraw/zinc/58/65/21/448586521.db2.gz XTBNLZWXVPNEPM-ROUUACIJSA-N 1 3 339.524 1.578 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495979 448586530 /nfs/dbraw/zinc/58/65/30/448586530.db2.gz XTBNLZWXVPNEPM-ROUUACIJSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907943 448653588 /nfs/dbraw/zinc/65/35/88/448653588.db2.gz MRZSCSJQHPNEGS-JZXOWHBKSA-N 1 3 337.508 1.819 20 0 EDADHO CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CCN(C)C1 ZINC000592024677 448633433 /nfs/dbraw/zinc/63/34/33/448633433.db2.gz TYZNXGRJRWNCDF-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720847 448687017 /nfs/dbraw/zinc/68/70/17/448687017.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720847 448687023 /nfs/dbraw/zinc/68/70/23/448687023.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000573799005 448715872 /nfs/dbraw/zinc/71/58/72/448715872.db2.gz UWHZGPHRWODVQV-ZWKOTPCHSA-N 1 3 330.476 1.048 20 0 EDADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@@H]1O ZINC000574052297 448781024 /nfs/dbraw/zinc/78/10/24/448781024.db2.gz ZTWICSZZDKMIIL-QAPCUYQASA-N 1 3 337.508 1.412 20 0 EDADHO O=C1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C2CC2)N1 ZINC000568252739 448846253 /nfs/dbraw/zinc/84/62/53/448846253.db2.gz NZVODGXDNLSHAO-FIYPYCPBSA-N 1 3 341.455 1.889 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000519762458 448838369 /nfs/dbraw/zinc/83/83/69/448838369.db2.gz JABMYNIKDPHTNK-BQFCYCMXSA-N 1 3 331.460 1.773 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000519762458 448838375 /nfs/dbraw/zinc/83/83/75/448838375.db2.gz JABMYNIKDPHTNK-BQFCYCMXSA-N 1 3 331.460 1.773 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640602 448922698 /nfs/dbraw/zinc/92/26/98/448922698.db2.gz LRFTYXQJRSKHRD-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548189871 449001534 /nfs/dbraw/zinc/00/15/34/449001534.db2.gz JLWMEWLIUQDHIS-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N(C)C ZINC000617112231 449463709 /nfs/dbraw/zinc/46/37/09/449463709.db2.gz TXMLPKGSGKLEHU-KRWDZBQOSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@@H](NC(=O)N1CCC(OCCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606703446 449512681 /nfs/dbraw/zinc/51/26/81/449512681.db2.gz URZWIBYRALEXDV-OAHLLOKOSA-N 1 3 340.512 1.469 20 0 EDADHO CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CCN(CC)C1 ZINC000596604879 449570316 /nfs/dbraw/zinc/57/03/16/449570316.db2.gz MCUHIIALLANJHZ-HNNXBMFYSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccncc1Cl ZINC000617507746 449659853 /nfs/dbraw/zinc/65/98/53/449659853.db2.gz IAHPXXIVPUPOHQ-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccncc1Cl ZINC000617507746 449659858 /nfs/dbraw/zinc/65/98/58/449659858.db2.gz IAHPXXIVPUPOHQ-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO O=C(NC1CCN(CCO)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000601329802 449837800 /nfs/dbraw/zinc/83/78/00/449837800.db2.gz IPDLRXUVTNWWSP-QGZVFWFLSA-N 1 3 338.496 1.103 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692693 449911649 /nfs/dbraw/zinc/91/16/49/449911649.db2.gz MZURXUXAVJEQNU-NVXWUHKLSA-N 1 3 340.512 1.469 20 0 EDADHO COC(=O)CCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000599371899 449925693 /nfs/dbraw/zinc/92/56/93/449925693.db2.gz RODCVKGQCCNABU-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975860 449967364 /nfs/dbraw/zinc/96/73/64/449967364.db2.gz OPLIPJAVIPIGIR-BBWFWOEESA-N 1 3 328.460 1.873 20 0 EDADHO CN1CC[C@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523733 450212597 /nfs/dbraw/zinc/21/25/97/450212597.db2.gz YPOBUNBXKWAVFB-MJGOQNOKSA-N 1 3 331.460 1.049 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3Cc4cncn4C3)CC2)CC1 ZINC000623259229 450467404 /nfs/dbraw/zinc/46/74/04/450467404.db2.gz VVDPPNLMBCSNAY-MRXNPFEDSA-N 1 3 345.491 1.120 20 0 EDADHO CN(C)CCn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000625865618 450524342 /nfs/dbraw/zinc/52/43/42/450524342.db2.gz UIRIMVLXLKQOIX-DLBZAZTESA-N 1 3 342.447 1.322 20 0 EDADHO Cc1noc([C@H]2OCC[C@H]2NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000623814214 450600581 /nfs/dbraw/zinc/60/05/81/450600581.db2.gz DCPSSAUGVURPCB-SJORKVTESA-N 1 3 346.431 1.938 20 0 EDADHO Cc1cc(Br)cn2c(CNCCOCCC[NH3+])cnc12 ZINC000629400209 450649305 /nfs/dbraw/zinc/64/93/05/450649305.db2.gz QJAXPXSUICXNSB-UHFFFAOYSA-N 1 3 341.253 1.860 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081828 450668013 /nfs/dbraw/zinc/66/80/13/450668013.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081828 450668017 /nfs/dbraw/zinc/66/80/17/450668017.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 1 3 330.476 1.963 20 0 EDADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCCOCCC[NH3+])cc1 ZINC000629542495 450729487 /nfs/dbraw/zinc/72/94/87/450729487.db2.gz ZGRCROAHQDHPOQ-ZDUSSCGKSA-N 1 3 329.466 1.464 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629567626 450741376 /nfs/dbraw/zinc/74/13/76/450741376.db2.gz YXZKONXLUYTVDH-AZUAARDMSA-N 1 3 346.519 1.243 20 0 EDADHO CN(CCOCC[NH3+])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835278 450803849 /nfs/dbraw/zinc/80/38/49/450803849.db2.gz QDRWMWDDQHBJDQ-CYBMUJFWSA-N 1 3 337.247 1.640 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000633614084 450943127 /nfs/dbraw/zinc/94/31/27/450943127.db2.gz MIQAUHDUHJKNJI-CABCVRRESA-N 1 3 335.496 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000633614084 450943130 /nfs/dbraw/zinc/94/31/30/450943130.db2.gz MIQAUHDUHJKNJI-CABCVRRESA-N 1 3 335.496 1.467 20 0 EDADHO COc1cc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1OCCN(C)C ZINC000635463642 450963658 /nfs/dbraw/zinc/96/36/58/450963658.db2.gz BOTNJCIMUXJACH-INIZCTEOSA-N 1 3 349.475 1.594 20 0 EDADHO COc1cc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1OCCN(C)C ZINC000635463642 450963663 /nfs/dbraw/zinc/96/36/63/450963663.db2.gz BOTNJCIMUXJACH-INIZCTEOSA-N 1 3 349.475 1.594 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635524911 451022771 /nfs/dbraw/zinc/02/27/71/451022771.db2.gz CNBNAXCTPLBMAP-HDICACEKSA-N 1 3 328.460 1.797 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000622132993 451058543 /nfs/dbraw/zinc/05/85/43/451058543.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000622132993 451058551 /nfs/dbraw/zinc/05/85/51/451058551.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)C[N@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000635658356 451142700 /nfs/dbraw/zinc/14/27/00/451142700.db2.gz JNWMFWYYYAJMOG-HOTGVXAUSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000635658356 451142706 /nfs/dbraw/zinc/14/27/06/451142706.db2.gz JNWMFWYYYAJMOG-HOTGVXAUSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000627214343 451190898 /nfs/dbraw/zinc/19/08/98/451190898.db2.gz JJVICGNJDKEYOI-QGZVFWFLSA-N 1 3 348.491 1.658 20 0 EDADHO CN(CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)CC(C)(C)C ZINC000635723183 451199323 /nfs/dbraw/zinc/19/93/23/451199323.db2.gz ZDIZTJOJMXAXOQ-HRCADAONSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635750421 451218213 /nfs/dbraw/zinc/21/82/13/451218213.db2.gz RYAYZWYOPJUXNO-DLBZAZTESA-N 1 3 338.540 1.449 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095505 451261713 /nfs/dbraw/zinc/26/17/13/451261713.db2.gz UKVIEZGEHHYHHP-MSOLQXFVSA-N 1 3 330.476 1.142 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000638117835 451286944 /nfs/dbraw/zinc/28/69/44/451286944.db2.gz PDOUGQOZNDPZDN-MSOLQXFVSA-N 1 3 348.535 1.928 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109942 451276284 /nfs/dbraw/zinc/27/62/84/451276284.db2.gz XWJWFNBBSPEVJD-WMZOPIPTSA-N 1 3 335.448 1.723 20 0 EDADHO CO[C@H]1CN[C@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111108 451278378 /nfs/dbraw/zinc/27/83/78/451278378.db2.gz BZTCDHGPOUWRAE-AEFFLSMTSA-N 1 3 335.448 1.723 20 0 EDADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635866043 451312827 /nfs/dbraw/zinc/31/28/27/451312827.db2.gz AUURTDMMESYJCL-QAPCUYQASA-N 1 3 335.492 1.715 20 0 EDADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CCN1C1CCCC1 ZINC000635866043 451312832 /nfs/dbraw/zinc/31/28/32/451312832.db2.gz AUURTDMMESYJCL-QAPCUYQASA-N 1 3 335.492 1.715 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](N)c2cccc(OC)c2)CC1 ZINC000638138212 451313380 /nfs/dbraw/zinc/31/33/80/451313380.db2.gz XWYULVCYKLAUAR-SFHVURJKSA-N 1 3 348.491 1.229 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000636580283 451321014 /nfs/dbraw/zinc/32/10/14/451321014.db2.gz BKQUNUSFPBTJQO-CQSZACIVSA-N 1 3 346.479 1.756 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CC[N@H+](C4CC4)C3)cn2)CC1 ZINC000636580283 451321017 /nfs/dbraw/zinc/32/10/17/451321017.db2.gz BKQUNUSFPBTJQO-CQSZACIVSA-N 1 3 346.479 1.756 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638158823 451328745 /nfs/dbraw/zinc/32/87/45/451328745.db2.gz MAHAWCAJUTZNGT-QWHCGFSZSA-N 1 3 345.447 1.126 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630722869 451362774 /nfs/dbraw/zinc/36/27/74/451362774.db2.gz GFIDEIXVHSPCAQ-UHFFFAOYSA-N 1 3 345.447 1.767 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269512 451389554 /nfs/dbraw/zinc/38/95/54/451389554.db2.gz PUVWHQXHFANQGI-JSGCOSHPSA-N 1 3 345.447 1.161 20 0 EDADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184629 451344619 /nfs/dbraw/zinc/34/46/19/451344619.db2.gz ZGEMSGFGURBNSP-WNRNVDISSA-N 1 3 326.481 1.612 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288423 451404660 /nfs/dbraw/zinc/40/46/60/451404660.db2.gz PZQKKDQLSMKHQB-ACBHZAAOSA-N 1 3 344.503 1.579 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000638304324 451418494 /nfs/dbraw/zinc/41/84/94/451418494.db2.gz FMZBOSTYHTTWEF-DKSSEZFCSA-N 1 3 346.475 1.490 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638328494 451437465 /nfs/dbraw/zinc/43/74/65/451437465.db2.gz JMBRZNVXWLXZPB-GBESFXJTSA-N 1 3 344.503 1.436 20 0 EDADHO CCNC(=O)c1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1 ZINC000638363487 451461686 /nfs/dbraw/zinc/46/16/86/451461686.db2.gz NEIWQSUUCLBGRQ-UHFFFAOYSA-N 1 3 333.476 1.761 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000638373883 451469862 /nfs/dbraw/zinc/46/98/62/451469862.db2.gz VJEVZKAKAZKIAL-MOPGFXCFSA-N 1 3 339.439 1.650 20 0 EDADHO C[C@@](O)(C[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000634709552 451487817 /nfs/dbraw/zinc/48/78/17/451487817.db2.gz KUDSFDXVXFNFCB-RTBURBONSA-N 1 3 333.476 1.800 20 0 EDADHO O=C(N1CCC(N2CCCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636022040 451443277 /nfs/dbraw/zinc/44/32/77/451443277.db2.gz NYUNJDPEUUERNT-UHFFFAOYSA-N 1 3 335.492 1.576 20 0 EDADHO O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719656 451499284 /nfs/dbraw/zinc/49/92/84/451499284.db2.gz WQMLFHUSYRCLOS-RTBURBONSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719656 451499292 /nfs/dbraw/zinc/49/92/92/451499292.db2.gz WQMLFHUSYRCLOS-RTBURBONSA-N 1 3 334.460 1.001 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)CC[C@@H]1C(F)(F)F ZINC000638561017 451577450 /nfs/dbraw/zinc/57/74/50/451577450.db2.gz FTHUVKTWEIIIRE-QWRGUYRKSA-N 1 3 347.406 1.993 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634954127 451621954 /nfs/dbraw/zinc/62/19/54/451621954.db2.gz ULVNLRUPDGWZBU-INIZCTEOSA-N 1 3 340.489 1.684 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2cccn(C(F)F)c2=O)CC1 ZINC000638877912 451717068 /nfs/dbraw/zinc/71/70/68/451717068.db2.gz ROIPWIXJFJRSRB-UHFFFAOYSA-N 1 3 328.407 1.359 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000638835335 451705680 /nfs/dbraw/zinc/70/56/80/451705680.db2.gz KSPJINYXWKTNGT-SNPRPXQTSA-N 1 3 325.403 1.853 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000638835335 451705683 /nfs/dbraw/zinc/70/56/83/451705683.db2.gz KSPJINYXWKTNGT-SNPRPXQTSA-N 1 3 325.403 1.853 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000638727044 451667656 /nfs/dbraw/zinc/66/76/56/451667656.db2.gz DAOYVYVDBBXMTQ-DLBZAZTESA-N 1 3 335.492 1.620 20 0 EDADHO CCN1CCN(CCC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877755 451716855 /nfs/dbraw/zinc/71/68/55/451716855.db2.gz OLRFLRGKRXGDGU-GOSISDBHSA-N 1 3 332.492 1.090 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000632962107 451671275 /nfs/dbraw/zinc/67/12/75/451671275.db2.gz XHHASKLPNMIBDR-SOUVJXGZSA-N 1 3 346.479 1.659 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000638977271 451744093 /nfs/dbraw/zinc/74/40/93/451744093.db2.gz QICXXBBXZZOSKN-ATZDWAIDSA-N 1 3 345.487 1.790 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176928 451786422 /nfs/dbraw/zinc/78/64/22/451786422.db2.gz MTOWYWLMWHCEPP-MRXNPFEDSA-N 1 3 337.489 1.498 20 0 EDADHO COc1ncc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)s1 ZINC000639262624 451801138 /nfs/dbraw/zinc/80/11/38/451801138.db2.gz ZZIQBNNCEUDOMZ-UHFFFAOYSA-N 1 3 340.493 1.038 20 0 EDADHO CC[NH+](CC)CC1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639451616 451874861 /nfs/dbraw/zinc/87/48/61/451874861.db2.gz FLNLMECWDAUKMI-KRWDZBQOSA-N 1 3 328.497 1.333 20 0 EDADHO O[C@]1(C[N@@H+]2CC[C@H](N3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000639469742 451881577 /nfs/dbraw/zinc/88/15/77/451881577.db2.gz ACWWOYBHWVBPGQ-PMACEKPBSA-N 1 3 329.488 1.794 20 0 EDADHO O[C@]1(C[N@H+]2CC[C@H](N3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000639469742 451881586 /nfs/dbraw/zinc/88/15/86/451881586.db2.gz ACWWOYBHWVBPGQ-PMACEKPBSA-N 1 3 329.488 1.794 20 0 EDADHO CCN1CCC[C@H]1CNc1nccnc1NC[C@@H]1CCC[N@@H+]1CC ZINC000649223588 451914836 /nfs/dbraw/zinc/91/48/36/451914836.db2.gz RGEHYOHCCFSLJT-HOTGVXAUSA-N 1 3 332.496 1.113 20 0 EDADHO CCN1CCC[C@H]1CNc1nccnc1NC[C@@H]1CCC[N@H+]1CC ZINC000649223588 451914840 /nfs/dbraw/zinc/91/48/40/451914840.db2.gz RGEHYOHCCFSLJT-HOTGVXAUSA-N 1 3 332.496 1.113 20 0 EDADHO C[N@H+](CCCNC(=O)[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000649281496 451953949 /nfs/dbraw/zinc/95/39/49/451953949.db2.gz NMEYJPHEMLVWIC-OAHLLOKOSA-N 1 3 325.403 1.870 20 0 EDADHO C[N@@H+](CCCNC(=O)[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000649281496 451953953 /nfs/dbraw/zinc/95/39/53/451953953.db2.gz NMEYJPHEMLVWIC-OAHLLOKOSA-N 1 3 325.403 1.870 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000651607666 451956393 /nfs/dbraw/zinc/95/63/93/451956393.db2.gz KFTOHDSYGCLMHV-FUHWJXTLSA-N 1 3 331.460 1.870 20 0 EDADHO CC1(OCC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[NH2+]C1 ZINC000649293655 451968858 /nfs/dbraw/zinc/96/88/58/451968858.db2.gz CHFGNXWEXLGMAE-QGZVFWFLSA-N 1 3 331.460 1.708 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646990020 451989709 /nfs/dbraw/zinc/98/97/09/451989709.db2.gz GFNUJKIARNDALX-KRWDZBQOSA-N 1 3 325.416 1.341 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[NH2+]CCOC1 ZINC000649315856 451994738 /nfs/dbraw/zinc/99/47/38/451994738.db2.gz UMBGZGHUFOTKIT-KRWDZBQOSA-N 1 3 347.459 1.065 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000649320077 451998018 /nfs/dbraw/zinc/99/80/18/451998018.db2.gz NOYORVLHPUJZFC-PKOBYXMFSA-N 1 3 345.487 1.635 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637651633 451999117 /nfs/dbraw/zinc/99/91/17/451999117.db2.gz MBHOOZDUXCHSIZ-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)N(C)Cc1ccccc1 ZINC000649332315 452013379 /nfs/dbraw/zinc/01/33/79/452013379.db2.gz RRQOVMFEVREVNG-GOEBONIOSA-N 1 3 342.447 1.063 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606638 452038061 /nfs/dbraw/zinc/03/80/61/452038061.db2.gz VYUHORIHTRDYPV-HNAYVOBHSA-N 1 3 346.475 1.770 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606638 452038066 /nfs/dbraw/zinc/03/80/66/452038066.db2.gz VYUHORIHTRDYPV-HNAYVOBHSA-N 1 3 346.475 1.770 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000647083857 452051382 /nfs/dbraw/zinc/05/13/82/452051382.db2.gz YYBPBJJKTCXAEW-ZIAGYGMSSA-N 1 3 344.381 1.690 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2[nH]ccc21 ZINC000637758068 452060069 /nfs/dbraw/zinc/06/00/69/452060069.db2.gz DLQSHJBLQXJANR-UHFFFAOYSA-N 1 3 331.464 1.803 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643210152 452072818 /nfs/dbraw/zinc/07/28/18/452072818.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 1 3 339.528 1.137 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000643210152 452072822 /nfs/dbraw/zinc/07/28/22/452072822.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 1 3 339.528 1.137 20 0 EDADHO CC[C@@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000649416865 452079588 /nfs/dbraw/zinc/07/95/88/452079588.db2.gz OEBDWBZOHFEYEV-SJORKVTESA-N 1 3 345.491 1.180 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)[C@H](N)CN(C)Cc2ccccc2)c1 ZINC000637808858 452093873 /nfs/dbraw/zinc/09/38/73/452093873.db2.gz HCSWXVVKJQTTQS-GOSISDBHSA-N 1 3 326.444 1.804 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000647181853 452110636 /nfs/dbraw/zinc/11/06/36/452110636.db2.gz VYYOWULBZVIJAK-OLMNPRSZSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000647181853 452110643 /nfs/dbraw/zinc/11/06/43/452110643.db2.gz VYYOWULBZVIJAK-OLMNPRSZSA-N 1 3 331.460 1.651 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCCC[C@@H]1CO)c1ccccc1 ZINC000653783486 452114175 /nfs/dbraw/zinc/11/41/75/452114175.db2.gz LXLSMHTUHDTXIQ-MSOLQXFVSA-N 1 3 333.476 1.642 20 0 EDADHO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637850730 452115219 /nfs/dbraw/zinc/11/52/19/452115219.db2.gz BYRBDPRQLCNZTL-SFHVURJKSA-N 1 3 347.463 1.407 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000637881887 452135117 /nfs/dbraw/zinc/13/51/17/452135117.db2.gz RXCYWQSPTAZJCN-GOSISDBHSA-N 1 3 346.519 1.826 20 0 EDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639881208 452216793 /nfs/dbraw/zinc/21/67/93/452216793.db2.gz VAAVAOPTYJBWEK-IRXDYDNUSA-N 1 3 327.513 1.263 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639881208 452216799 /nfs/dbraw/zinc/21/67/99/452216799.db2.gz VAAVAOPTYJBWEK-IRXDYDNUSA-N 1 3 327.513 1.263 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462977 452235339 /nfs/dbraw/zinc/23/53/39/452235339.db2.gz VFVMNIAJDCYXLF-ATVPRXPUSA-N 1 3 325.403 1.885 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1CCO ZINC000661497401 452297730 /nfs/dbraw/zinc/29/77/30/452297730.db2.gz IVVUNPCOZOPKOR-NZSAHSFTSA-N 1 3 347.503 1.888 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659451980 452302950 /nfs/dbraw/zinc/30/29/50/452302950.db2.gz WPUUWXZSPYLZAN-UHFFFAOYSA-N 1 3 346.475 1.221 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000665760636 452330634 /nfs/dbraw/zinc/33/06/34/452330634.db2.gz MAIWFZYVPPDQCH-BBWFWOEESA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000665760636 452330647 /nfs/dbraw/zinc/33/06/47/452330647.db2.gz MAIWFZYVPPDQCH-BBWFWOEESA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659478678 452339341 /nfs/dbraw/zinc/33/93/41/452339341.db2.gz DBNCOSGHYJOUCL-OCVGTWLNSA-N 1 3 326.460 1.720 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659478678 452339347 /nfs/dbraw/zinc/33/93/47/452339347.db2.gz DBNCOSGHYJOUCL-OCVGTWLNSA-N 1 3 326.460 1.720 20 0 EDADHO Cc1cc(C)n2c(CN[C@@H](C)CN(C)CCC[NH+](C)C)cnc2n1 ZINC000657574333 452342353 /nfs/dbraw/zinc/34/23/53/452342353.db2.gz WLAWGVIYRHWUFN-HNNXBMFYSA-N 1 3 332.496 1.708 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150482 452343500 /nfs/dbraw/zinc/34/35/00/452343500.db2.gz YADWIDKQUXCUMV-OAHLLOKOSA-N 1 3 338.427 1.194 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000665763112 452343931 /nfs/dbraw/zinc/34/39/31/452343931.db2.gz ZAHGGQFNWDBKEK-WMZOPIPTSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(C1)CCCOC2 ZINC000665763112 452343935 /nfs/dbraw/zinc/34/39/35/452343935.db2.gz ZAHGGQFNWDBKEK-WMZOPIPTSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638059575 452349332 /nfs/dbraw/zinc/34/93/32/452349332.db2.gz NISKFPACBWGZHT-IBGZPJMESA-N 1 3 346.519 1.777 20 0 EDADHO COc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000665764168 452350601 /nfs/dbraw/zinc/35/06/01/452350601.db2.gz WOUCXQOXDXKCRT-HNNXBMFYSA-N 1 3 348.491 1.992 20 0 EDADHO COc1ccc2c(c1)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000665764168 452350606 /nfs/dbraw/zinc/35/06/06/452350606.db2.gz WOUCXQOXDXKCRT-HNNXBMFYSA-N 1 3 348.491 1.992 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000638059860 452352115 /nfs/dbraw/zinc/35/21/15/452352115.db2.gz OJWHXXDANBFKLH-LJQANCHMSA-N 1 3 341.455 1.943 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638064871 452363999 /nfs/dbraw/zinc/36/39/99/452363999.db2.gz PEJVBENGKDKKIV-STEAMIEHSA-N 1 3 345.487 1.897 20 0 EDADHO COC[C@@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCCN1 ZINC000638068138 452371433 /nfs/dbraw/zinc/37/14/33/452371433.db2.gz VKCLNEYEZLXTTH-SJLPKXTDSA-N 1 3 325.497 1.916 20 0 EDADHO COC[C@@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCCCN1 ZINC000638068138 452371446 /nfs/dbraw/zinc/37/14/46/452371446.db2.gz VKCLNEYEZLXTTH-SJLPKXTDSA-N 1 3 325.497 1.916 20 0 EDADHO CN(C)[C@@]1(CNC(=O)Cc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000638068644 452374112 /nfs/dbraw/zinc/37/41/12/452374112.db2.gz JQIIJMIRBTXLNF-GOSISDBHSA-N 1 3 333.501 1.428 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000659511480 452375450 /nfs/dbraw/zinc/37/54/50/452375450.db2.gz QGWVFXQWZHBTMQ-MSOLQXFVSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075396 452385780 /nfs/dbraw/zinc/38/57/80/452385780.db2.gz QVMMECHEGXJXBH-WMZOPIPTSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659536650 452396062 /nfs/dbraw/zinc/39/60/62/452396062.db2.gz ISETVADXQFUWPX-CRAIPNDOSA-N 1 3 345.491 1.591 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCN(C)C)cc1 ZINC000659587499 452443604 /nfs/dbraw/zinc/44/36/04/452443604.db2.gz ILXWMEIHNWZPIZ-IRXDYDNUSA-N 1 3 334.464 1.392 20 0 EDADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345386 452517165 /nfs/dbraw/zinc/51/71/65/452517165.db2.gz AWVZDFIMMRHUIX-BBWFWOEESA-N 1 3 325.497 1.850 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345449 452520637 /nfs/dbraw/zinc/52/06/37/452520637.db2.gz CCXHXKJNYIYFCW-ADHGMGHFSA-N 1 3 337.508 1.994 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347070 452521946 /nfs/dbraw/zinc/52/19/46/452521946.db2.gz QCPWROAYEGJPCH-CAOSSQGBSA-N 1 3 325.497 1.898 20 0 EDADHO CN(CCCc1nc(-c2ccccc2)no1)CCN1CC[NH2+]CC1 ZINC000647835238 452570483 /nfs/dbraw/zinc/57/04/83/452570483.db2.gz RTTQXDQKLNMYMR-UHFFFAOYSA-N 1 3 329.448 1.506 20 0 EDADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000655775998 452571436 /nfs/dbraw/zinc/57/14/36/452571436.db2.gz GDUZWSHKNNMPMM-HZPDHXFCSA-N 1 3 327.538 1.657 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000640293844 452589246 /nfs/dbraw/zinc/58/92/46/452589246.db2.gz BRNKVENAVGAUMB-GOSISDBHSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000645621507 452615598 /nfs/dbraw/zinc/61/55/98/452615598.db2.gz FYWUHXQHFZSMNE-RDJZCZTQSA-N 1 3 344.459 1.158 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000652427410 452619940 /nfs/dbraw/zinc/61/99/40/452619940.db2.gz UFBHYJNFGGQMFU-KURKYZTESA-N 1 3 337.508 1.674 20 0 EDADHO CN1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000666159444 452652707 /nfs/dbraw/zinc/65/27/07/452652707.db2.gz WPZZAOUJBYQVEO-UHFFFAOYSA-N 1 3 345.491 1.641 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924873 452691916 /nfs/dbraw/zinc/69/19/16/452691916.db2.gz SCXBPUBKZFRGER-KWCYVHTRSA-N 1 3 344.381 1.696 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701952 /nfs/dbraw/zinc/70/19/52/452701952.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701960 /nfs/dbraw/zinc/70/19/60/452701960.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953139 452716485 /nfs/dbraw/zinc/71/64/85/452716485.db2.gz MGJCHECHZGVHNL-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139081 452747010 /nfs/dbraw/zinc/74/70/10/452747010.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 1 3 329.488 1.826 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659878538 452755058 /nfs/dbraw/zinc/75/50/58/452755058.db2.gz LUWRNBCNICBSMR-ROUUACIJSA-N 1 3 338.540 1.450 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000648163008 452872384 /nfs/dbraw/zinc/87/23/84/452872384.db2.gz PKJNDICNYIHQOC-UHFFFAOYSA-N 1 3 345.487 1.442 20 0 EDADHO O=C(C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1)N1CCOCC1 ZINC000662249097 452972418 /nfs/dbraw/zinc/97/24/18/452972418.db2.gz OUZGYUWZPHNBMF-UHFFFAOYSA-N 1 3 343.471 1.403 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000662282376 453007260 /nfs/dbraw/zinc/00/72/60/453007260.db2.gz UGQHDFZEQFMHCB-HOCLYGCPSA-N 1 3 336.484 1.189 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN)c1)C[NH+]1CCCCC1 ZINC000666693942 453071414 /nfs/dbraw/zinc/07/14/14/453071414.db2.gz LZCVDZJIGMWZDY-CQSZACIVSA-N 1 3 332.448 1.322 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664410258 453072041 /nfs/dbraw/zinc/07/20/41/453072041.db2.gz UGDCMSNSQNNJHO-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCCO)C3CC3)CC2)CC1 ZINC000654972284 453091739 /nfs/dbraw/zinc/09/17/39/453091739.db2.gz LTBRWGANPDJAEG-UHFFFAOYSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655011659 453132081 /nfs/dbraw/zinc/13/20/81/453132081.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 1 3 345.487 1.424 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655011659 453132091 /nfs/dbraw/zinc/13/20/91/453132091.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 1 3 345.487 1.424 20 0 EDADHO CC(C)([NH3+])CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662424707 453133379 /nfs/dbraw/zinc/13/33/79/453133379.db2.gz YAZJYVDURWDIDE-SFHVURJKSA-N 1 3 341.455 1.989 20 0 EDADHO CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(CC)C1 ZINC000664537060 453175406 /nfs/dbraw/zinc/17/54/06/453175406.db2.gz FPVYKASVHKXIQO-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[N@@H+]1C ZINC000648731761 453219563 /nfs/dbraw/zinc/21/95/63/453219563.db2.gz NOSAYUTZGOFAOK-CZUORRHYSA-N 1 3 332.448 1.257 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CC[N@H+]1C ZINC000648731761 453219573 /nfs/dbraw/zinc/21/95/73/453219573.db2.gz NOSAYUTZGOFAOK-CZUORRHYSA-N 1 3 332.448 1.257 20 0 EDADHO C[NH+](C)CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662518006 453236512 /nfs/dbraw/zinc/23/65/12/453236512.db2.gz YOOXRYRLKPTJHU-IBGZPJMESA-N 1 3 341.455 1.813 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112966 453298823 /nfs/dbraw/zinc/29/88/23/453298823.db2.gz OEYHSKOEYSKUCT-IRXDYDNUSA-N 1 3 331.460 1.774 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1Cc1ccccc1 ZINC000653117730 453307463 /nfs/dbraw/zinc/30/74/63/453307463.db2.gz UQMPAOINISKQSC-HYJFEMIMSA-N 1 3 343.471 1.392 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588867 453315718 /nfs/dbraw/zinc/31/57/18/453315718.db2.gz FRYJVLHXEBVFJP-FRQCXROJSA-N 1 3 337.508 1.757 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597033 453322621 /nfs/dbraw/zinc/32/26/21/453322621.db2.gz VYQXOPSMWPBCFG-LJCCNALRSA-N 1 3 349.519 1.757 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597035 453322935 /nfs/dbraw/zinc/32/29/35/453322935.db2.gz VYQXOPSMWPBCFG-YZLZLFLDSA-N 1 3 349.519 1.757 20 0 EDADHO NC(=O)[C@@H](Cc1ccccc1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000656679597 453363143 /nfs/dbraw/zinc/36/31/43/453363143.db2.gz YNASCNCTCJAALK-LJQANCHMSA-N 1 3 345.487 1.564 20 0 EDADHO CN(C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664263 453377241 /nfs/dbraw/zinc/37/72/41/453377241.db2.gz VYWWGNFWGKCYRL-GOEBONIOSA-N 1 3 343.393 1.818 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668899 453381971 /nfs/dbraw/zinc/38/19/71/453381971.db2.gz SDBHOAJHNPOHQD-HUUCEWRRSA-N 1 3 346.479 1.167 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673500 453388273 /nfs/dbraw/zinc/38/82/73/453388273.db2.gz LMEITLPMAQWIOO-ROUUACIJSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000660572298 453410932 /nfs/dbraw/zinc/41/09/32/453410932.db2.gz ANQWEIBPWYTYPG-AWEZNQCLSA-N 1 3 348.495 1.339 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660587132 453429241 /nfs/dbraw/zinc/42/92/41/453429241.db2.gz NSYRDNWDBUVULR-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660587132 453429244 /nfs/dbraw/zinc/42/92/44/453429244.db2.gz NSYRDNWDBUVULR-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO COC1CCN(C2(CNC(=O)[C@H]3[NH2+]CCC3(C)C)CCCC2)CC1 ZINC000662726124 453452185 /nfs/dbraw/zinc/45/21/85/453452185.db2.gz LLRRSCZUOQCDCP-MRXNPFEDSA-N 1 3 337.508 1.914 20 0 EDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)NC1CCN(C3CC3)CC1)C2 ZINC000660656781 453493754 /nfs/dbraw/zinc/49/37/54/453493754.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 1 3 334.508 1.147 20 0 EDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)NC1CCN(C3CC3)CC1)C2 ZINC000660656781 453493759 /nfs/dbraw/zinc/49/37/59/453493759.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 1 3 334.508 1.147 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662791631 453525556 /nfs/dbraw/zinc/52/55/56/453525556.db2.gz WWHWZSYHSWNLBF-UHFFFAOYSA-N 1 3 330.476 1.042 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655443971 453531770 /nfs/dbraw/zinc/53/17/70/453531770.db2.gz FMXWCVNQWVIWDJ-MJGOQNOKSA-N 1 3 331.460 1.633 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000665043818 453550691 /nfs/dbraw/zinc/55/06/91/453550691.db2.gz MUHBAQMGUCOZRD-WMLDXEAASA-N 1 3 334.464 1.003 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cccc4c3CCNC4)C2)C1 ZINC000662829009 453555742 /nfs/dbraw/zinc/55/57/42/453555742.db2.gz OEWGEOVTHBWJIY-FRQCXROJSA-N 1 3 343.471 1.691 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662860127 453575309 /nfs/dbraw/zinc/57/53/09/453575309.db2.gz QORDKLQFUDKMDI-RBUKOAKNSA-N 1 3 347.503 1.881 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660822529 453586881 /nfs/dbraw/zinc/58/68/81/453586881.db2.gz DILACLGCMJZGBG-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899810 453594558 /nfs/dbraw/zinc/59/45/58/453594558.db2.gz HDXOLMGCNSZIAR-HKUYNNGSSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899810 453594560 /nfs/dbraw/zinc/59/45/60/453594560.db2.gz HDXOLMGCNSZIAR-HKUYNNGSSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899810 453594564 /nfs/dbraw/zinc/59/45/64/453594564.db2.gz HDXOLMGCNSZIAR-HKUYNNGSSA-N 1 3 344.503 1.622 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659043127 453596627 /nfs/dbraw/zinc/59/66/27/453596627.db2.gz XEHKSKXYEHUPKM-XKQJLSEDSA-N 1 3 332.448 1.809 20 0 EDADHO CCc1nnc([C@@H](C)N2CCCN(C3CC[NH+](CC)CC3)CC2)[nH]1 ZINC000660834726 453597480 /nfs/dbraw/zinc/59/74/80/453597480.db2.gz QGTDZVUMNDYJMB-OAHLLOKOSA-N 1 3 334.512 1.920 20 0 EDADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620181 /nfs/dbraw/zinc/62/01/81/453620181.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 1 3 347.459 1.306 20 0 EDADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000660863319 453620184 /nfs/dbraw/zinc/62/01/84/453620184.db2.gz IFDDYEIQQGZJEW-OAHLLOKOSA-N 1 3 347.459 1.306 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003278 453643727 /nfs/dbraw/zinc/64/37/27/453643727.db2.gz LGCBJXYZTHKSPP-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003278 453643731 /nfs/dbraw/zinc/64/37/31/453643731.db2.gz LGCBJXYZTHKSPP-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657386298 453779898 /nfs/dbraw/zinc/77/98/98/453779898.db2.gz DISWYRSITQXVGZ-HXUWFJFHSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000676682454 486841837 /nfs/dbraw/zinc/84/18/37/486841837.db2.gz AWPNCDVPVRRJAH-HNNXBMFYSA-N 1 3 333.480 1.858 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667933997 487023397 /nfs/dbraw/zinc/02/33/97/487023397.db2.gz YZNCABPVMAUFHC-QZTJIDSGSA-N 1 3 331.460 1.635 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(C)c1C(F)F ZINC000682240191 487328701 /nfs/dbraw/zinc/32/87/01/487328701.db2.gz NRJVAHDOEBTSLF-UHFFFAOYSA-N 1 3 332.399 1.315 20 0 EDADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1F ZINC000679290627 487409694 /nfs/dbraw/zinc/40/96/94/487409694.db2.gz XRVQPPLBEBIKQK-YOEHRIQHSA-N 1 3 340.487 1.935 20 0 EDADHO CCN(C[C@H]1CCOC1)CC1(C[N@H+](CC)C[C@H]2CCOC2)COC1 ZINC000679850316 487468612 /nfs/dbraw/zinc/46/86/12/487468612.db2.gz CTWOFQUGPREOHQ-QZTJIDSGSA-N 1 3 340.508 1.720 20 0 EDADHO CCN(C[C@H]1CCOC1)CC1(C[N@@H+](CC)C[C@H]2CCOC2)COC1 ZINC000679850316 487468614 /nfs/dbraw/zinc/46/86/14/487468614.db2.gz CTWOFQUGPREOHQ-QZTJIDSGSA-N 1 3 340.508 1.720 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561061 485568890 /nfs/dbraw/zinc/56/88/90/485568890.db2.gz AYGYQRVXPSPKLJ-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(-c2cccnc2)n1 ZINC000668302755 485580821 /nfs/dbraw/zinc/58/08/21/485580821.db2.gz OWRMZLBJGVHZHS-UHFFFAOYSA-N 1 3 331.420 1.302 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000669583439 485632465 /nfs/dbraw/zinc/63/24/65/485632465.db2.gz BLNIFYFBYLUJFU-LAQRGFTBSA-N 1 3 348.491 1.744 20 0 EDADHO CC[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000668649576 485994407 /nfs/dbraw/zinc/99/44/07/485994407.db2.gz VFTTWMBOJZISGU-KURKYZTESA-N 1 3 332.492 1.928 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669389497 486024705 /nfs/dbraw/zinc/02/47/05/486024705.db2.gz DZROKUCBOGTJLX-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC/C=C/C[NH3+])N2CCCC2)c1 ZINC000668678430 486032758 /nfs/dbraw/zinc/03/27/58/486032758.db2.gz VDKRMVFIBVAJRE-YATRRXNKSA-N 1 3 332.448 1.646 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420205 486139223 /nfs/dbraw/zinc/13/92/23/486139223.db2.gz DOXXXEVPJFVVCR-QZTJIDSGSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669462365 486215470 /nfs/dbraw/zinc/21/54/70/486215470.db2.gz IUHKKTYPGJLFCN-UHFFFAOYSA-N 1 3 348.491 1.692 20 0 EDADHO CC1(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CNC1 ZINC000325906753 491249832 /nfs/dbraw/zinc/24/98/32/491249832.db2.gz QPOSUKVDTXDZQM-UHFFFAOYSA-N 1 3 331.460 1.667 20 0 EDADHO CC(=O)N(C)c1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000120012101 490996523 /nfs/dbraw/zinc/99/65/23/490996523.db2.gz AEBTUIHQTJBQJQ-UHFFFAOYSA-N 1 3 349.479 1.626 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000154416309 527881534 /nfs/dbraw/zinc/88/15/34/527881534.db2.gz HTXNITWKJOJWGA-IXDOHACOSA-N 1 3 327.538 1.514 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000154416309 527881539 /nfs/dbraw/zinc/88/15/39/527881539.db2.gz HTXNITWKJOJWGA-IXDOHACOSA-N 1 3 327.538 1.514 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000124865109 535132119 /nfs/dbraw/zinc/13/21/19/535132119.db2.gz AQXSPUUQCFNFEO-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(CCN(C)C)n2)C1 ZINC000124865109 535132123 /nfs/dbraw/zinc/13/21/23/535132123.db2.gz AQXSPUUQCFNFEO-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000041892457 536035667 /nfs/dbraw/zinc/03/56/67/536035667.db2.gz XXMZKKALRCIMAS-HNNXBMFYSA-N 1 3 344.459 1.287 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000041892457 536035672 /nfs/dbraw/zinc/03/56/72/536035672.db2.gz XXMZKKALRCIMAS-HNNXBMFYSA-N 1 3 344.459 1.287 20 0 EDADHO CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727057583 578512176 /nfs/dbraw/zinc/51/21/76/578512176.db2.gz ALKPHWQDSCWPOS-OAHLLOKOSA-N 1 3 334.464 1.128 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000734276905 578804526 /nfs/dbraw/zinc/80/45/26/578804526.db2.gz UBEQGSPJMWWQEB-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CC1 ZINC000734276905 578804528 /nfs/dbraw/zinc/80/45/28/578804528.db2.gz UBEQGSPJMWWQEB-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCC(NC(=S)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000746551150 579600653 /nfs/dbraw/zinc/60/06/53/579600653.db2.gz MSWUZSMUNYEWOU-OWCLPIDISA-N 1 3 340.537 1.139 20 0 EDADHO CN1CCC(NC(=S)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000746551146 579600672 /nfs/dbraw/zinc/60/06/72/579600672.db2.gz MSWUZSMUNYEWOU-BZUAXINKSA-N 1 3 340.537 1.139 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000747554070 579648684 /nfs/dbraw/zinc/64/86/84/579648684.db2.gz CTFGGDWVUDRWHH-LSDHHAIUSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000747554070 579648685 /nfs/dbraw/zinc/64/86/85/579648685.db2.gz CTFGGDWVUDRWHH-LSDHHAIUSA-N 1 3 336.484 1.687 20 0 EDADHO CN1CCC(NC(=S)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000749004086 579709786 /nfs/dbraw/zinc/70/97/86/579709786.db2.gz CLWMXERLENZYPM-UHFFFAOYSA-N 1 3 342.553 1.388 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000749491327 579728614 /nfs/dbraw/zinc/72/86/14/579728614.db2.gz WWWOXTFNYOMNCC-BZUAXINKSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000749491327 579728616 /nfs/dbraw/zinc/72/86/16/579728616.db2.gz WWWOXTFNYOMNCC-BZUAXINKSA-N 1 3 341.496 1.821 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133934 580093688 /nfs/dbraw/zinc/09/36/88/580093688.db2.gz KZRJNVDABFBBKT-LEOMRAHMSA-N 1 3 338.496 1.149 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290969 580766170 /nfs/dbraw/zinc/76/61/70/580766170.db2.gz RJPMLMMVNITIPM-JKSUJKDBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857147 590658072 /nfs/dbraw/zinc/65/80/72/590658072.db2.gz ZAIZIDHIFFXWOY-HZPDHXFCSA-N 1 3 340.512 1.565 20 0 EDADHO Cc1cc(N(C)CCN2CCN(Cc3ccccc3)CC2)nc(N)n1 ZINC000804787443 590769261 /nfs/dbraw/zinc/76/92/61/590769261.db2.gz MVRCWWCYOLYFNN-UHFFFAOYSA-N 1 3 340.475 1.621 20 0 EDADHO Cc1cc(N(C)CCN2CCN(Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000804787443 590769266 /nfs/dbraw/zinc/76/92/66/590769266.db2.gz MVRCWWCYOLYFNN-UHFFFAOYSA-N 1 3 340.475 1.621 20 0 EDADHO C[NH+](C)C1CCN(CCN[C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893360775 590802772 /nfs/dbraw/zinc/80/27/72/590802772.db2.gz QDCONLLNLGILSU-HOTGVXAUSA-N 1 3 329.460 1.236 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891340663 591050296 /nfs/dbraw/zinc/05/02/96/591050296.db2.gz RBMQVIUDCABRPN-MRXNPFEDSA-N 1 3 339.528 1.090 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000892575326 591078185 /nfs/dbraw/zinc/07/81/85/591078185.db2.gz SUOZQQXLGJQGLG-MRXNPFEDSA-N 1 3 333.476 1.897 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000892575325 591078346 /nfs/dbraw/zinc/07/83/46/591078346.db2.gz SUOZQQXLGJQGLG-INIZCTEOSA-N 1 3 333.476 1.897 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891528766 591108656 /nfs/dbraw/zinc/10/86/56/591108656.db2.gz KVISSRBWUPJFRQ-SHTZXODSSA-N 1 3 340.512 1.693 20 0 EDADHO CCC1([NH3+])CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000891597467 591142450 /nfs/dbraw/zinc/14/24/50/591142450.db2.gz QQDVEVQACSLZSL-UHFFFAOYSA-N 1 3 344.503 1.999 20 0 EDADHO C[C@H](CNC(=O)N(C)CCCCCC[NH3+])CN1CCN(C)CC1 ZINC000891603924 591145198 /nfs/dbraw/zinc/14/51/98/591145198.db2.gz SSPZDZKVGGTPLZ-MRXNPFEDSA-N 1 3 327.517 1.030 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C3CCN(C)CC3)CC2)[C@H]1OC ZINC000892759232 591164769 /nfs/dbraw/zinc/16/47/69/591164769.db2.gz HPNNAZXRNCPEJG-RCCFBDPRSA-N 1 3 325.497 1.327 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891673583 591180019 /nfs/dbraw/zinc/18/00/19/591180019.db2.gz QCWPACKEUSDXTJ-HNNXBMFYSA-N 1 3 326.485 1.319 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000892883752 591216348 /nfs/dbraw/zinc/21/63/48/591216348.db2.gz FCLDHHSYKUWSKF-OAHLLOKOSA-N 1 3 340.512 1.659 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000892883752 591216349 /nfs/dbraw/zinc/21/63/49/591216349.db2.gz FCLDHHSYKUWSKF-OAHLLOKOSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895656195 591241738 /nfs/dbraw/zinc/24/17/38/591241738.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)C1 ZINC000895656195 591241741 /nfs/dbraw/zinc/24/17/41/591241741.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 1 3 338.496 1.100 20 0 EDADHO CN1CCC(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424865 591308364 /nfs/dbraw/zinc/30/83/64/591308364.db2.gz AODAFIFOOUUBBF-SJORKVTESA-N 1 3 339.480 1.698 20 0 EDADHO CN1CCC(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424865 591308367 /nfs/dbraw/zinc/30/83/67/591308367.db2.gz AODAFIFOOUUBBF-SJORKVTESA-N 1 3 339.480 1.698 20 0 EDADHO COc1nccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000894459258 591317732 /nfs/dbraw/zinc/31/77/32/591317732.db2.gz GGXWQABUXNLHDC-INIZCTEOSA-N 1 3 336.455 1.830 20 0 EDADHO CO[C@]1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCSC1 ZINC000896005087 591321618 /nfs/dbraw/zinc/32/16/18/591321618.db2.gz YFMVBNSOMYMWDT-QGZVFWFLSA-N 1 3 341.521 1.183 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509900 /nfs/dbraw/zinc/50/99/00/591509900.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509905 /nfs/dbraw/zinc/50/99/05/591509905.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897208779 591768720 /nfs/dbraw/zinc/76/87/20/591768720.db2.gz DNNJMNXYGXPLOY-CVEARBPZSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900214569 591945247 /nfs/dbraw/zinc/94/52/47/591945247.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900214569 591945250 /nfs/dbraw/zinc/94/52/50/591945250.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900219602 591947176 /nfs/dbraw/zinc/94/71/76/591947176.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 1 3 325.497 1.317 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900219602 591947179 /nfs/dbraw/zinc/94/71/79/591947179.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 1 3 325.497 1.317 20 0 EDADHO C[C@H](CCCC[NH3+])N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455404 591999419 /nfs/dbraw/zinc/99/94/19/591999419.db2.gz LTGBAWBRNSMKIN-SKDRFNHKSA-N 1 3 341.253 1.814 20 0 EDADHO CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3CCCCN3C[C@H]2C)CC1 ZINC000900745084 592115860 /nfs/dbraw/zinc/11/58/60/592115860.db2.gz IWDKEKVMZZWZAG-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000901024252 592202625 /nfs/dbraw/zinc/20/26/25/592202625.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 1 3 338.540 1.638 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000901024252 592202627 /nfs/dbraw/zinc/20/26/27/592202627.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 1 3 338.540 1.638 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000906654506 592237511 /nfs/dbraw/zinc/23/75/11/592237511.db2.gz XJALVFSXRGIUIK-MRXNPFEDSA-N 1 3 344.459 1.561 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663401 592245766 /nfs/dbraw/zinc/24/57/66/592245766.db2.gz DRKFUGXPEBDGKG-CABCVRRESA-N 1 3 330.432 1.169 20 0 EDADHO CC(C)(CNC(=O)C(=O)Nc1ccccc1CN)C[NH+]1CCCC1 ZINC000906665898 592248297 /nfs/dbraw/zinc/24/82/97/592248297.db2.gz GXVOQXNEPRBSQQ-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000906677121 592258338 /nfs/dbraw/zinc/25/83/38/592258338.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 1 3 338.540 1.498 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000906677121 592258340 /nfs/dbraw/zinc/25/83/40/592258340.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 1 3 338.540 1.498 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C34CCN(CC3)C4)CC2)CC1 ZINC000901145439 592259410 /nfs/dbraw/zinc/25/94/10/592259410.db2.gz ITVYBEUDZQOBCQ-UHFFFAOYSA-N 1 3 334.508 1.099 20 0 EDADHO CN(C[C@H](O)COCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727148 592286103 /nfs/dbraw/zinc/28/61/03/592286103.db2.gz RDAXZMQQQNJKFP-OTWHNJEPSA-N 1 3 334.460 1.265 20 0 EDADHO CCOC(=O)N(C)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753957 592303444 /nfs/dbraw/zinc/30/34/44/592303444.db2.gz ZKDIWNRSZIJKMO-INIZCTEOSA-N 1 3 339.480 1.698 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095489 592312907 /nfs/dbraw/zinc/31/29/07/592312907.db2.gz WTHGKBCOINLIND-MJGOQNOKSA-N 1 3 349.475 1.261 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095489 592312912 /nfs/dbraw/zinc/31/29/12/592312912.db2.gz WTHGKBCOINLIND-MJGOQNOKSA-N 1 3 349.475 1.261 20 0 EDADHO COc1ccc([C@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782688 592320964 /nfs/dbraw/zinc/32/09/64/592320964.db2.gz QPNVTKLVNSQSIA-RBUKOAKNSA-N 1 3 345.487 1.800 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccncc1 ZINC000903783146 592321220 /nfs/dbraw/zinc/32/12/20/592321220.db2.gz VCTUILZERVVMTI-AEFFLSMTSA-N 1 3 330.476 1.751 20 0 EDADHO CCOC(=O)[C@@H]1CNCC[C@@H]1N(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000903796576 592325253 /nfs/dbraw/zinc/32/52/53/592325253.db2.gz XGTZWOMPMXJZMR-QRVBRYPASA-N 1 3 345.487 1.639 20 0 EDADHO COc1ccc(CN(CCCO)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831357 592336930 /nfs/dbraw/zinc/33/69/30/592336930.db2.gz IRTAQTCNWYXJCC-RBUKOAKNSA-N 1 3 334.460 1.648 20 0 EDADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cscn1 ZINC000903925509 592379363 /nfs/dbraw/zinc/37/93/63/592379363.db2.gz GGQPCFMFQAIRPE-AVOUXACISA-N 1 3 334.489 1.820 20 0 EDADHO COc1ccc2c(c1)OC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903926684 592380960 /nfs/dbraw/zinc/38/09/60/592380960.db2.gz NSIMYMSTVBAOGD-LSDHHAIUSA-N 1 3 343.431 1.305 20 0 EDADHO CN(C)[C@@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926335 592381402 /nfs/dbraw/zinc/38/14/02/592381402.db2.gz KVILZDBRNPTAHB-WMZOPIPTSA-N 1 3 328.464 1.595 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905294940 592487110 /nfs/dbraw/zinc/48/71/10/592487110.db2.gz NAVJRPWOCVBGLM-RTBURBONSA-N 1 3 335.492 1.087 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)c1cccc(F)c1 ZINC000905390674 592515293 /nfs/dbraw/zinc/51/52/93/592515293.db2.gz JWTWAYHOPANFHE-KRWDZBQOSA-N 1 3 336.455 1.038 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)c1cccc(F)c1 ZINC000905390674 592515294 /nfs/dbraw/zinc/51/52/94/592515294.db2.gz JWTWAYHOPANFHE-KRWDZBQOSA-N 1 3 336.455 1.038 20 0 EDADHO CCN1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502904 592546323 /nfs/dbraw/zinc/54/63/23/592546323.db2.gz LWWOQGYUOZKPMJ-HSFUPAIVSA-N 1 3 328.497 1.232 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909918740 592713818 /nfs/dbraw/zinc/71/38/18/592713818.db2.gz RDUVHRBZNDBSIQ-KRWDZBQOSA-N 1 3 339.505 1.485 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000909918740 592713822 /nfs/dbraw/zinc/71/38/22/592713822.db2.gz RDUVHRBZNDBSIQ-KRWDZBQOSA-N 1 3 339.505 1.485 20 0 EDADHO CN1CCN(C)CC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000906391300 592808410 /nfs/dbraw/zinc/80/84/10/592808410.db2.gz BGKRTDAQGRWAGZ-UHFFFAOYSA-N 1 3 344.503 1.757 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000910870193 592898634 /nfs/dbraw/zinc/89/86/34/592898634.db2.gz UACWDSDGQFFTIB-UHFFFAOYSA-N 1 3 339.524 1.660 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000910870193 592898635 /nfs/dbraw/zinc/89/86/35/592898635.db2.gz UACWDSDGQFFTIB-UHFFFAOYSA-N 1 3 339.524 1.660 20 0 EDADHO C[C@@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000911827003 593017742 /nfs/dbraw/zinc/01/77/42/593017742.db2.gz VLXOTSCJGIETAR-OSQNNJELSA-N 1 3 329.366 1.560 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913335 593036233 /nfs/dbraw/zinc/03/62/33/593036233.db2.gz CLLIBIXZGBSAGY-PMACEKPBSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913335 593036235 /nfs/dbraw/zinc/03/62/35/593036235.db2.gz CLLIBIXZGBSAGY-PMACEKPBSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000912302623 593084305 /nfs/dbraw/zinc/08/43/05/593084305.db2.gz FFTFWABCDQCLOC-ZDUSSCGKSA-N 1 3 347.463 1.057 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000912302623 593084306 /nfs/dbraw/zinc/08/43/06/593084306.db2.gz FFTFWABCDQCLOC-ZDUSSCGKSA-N 1 3 347.463 1.057 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000912584941 593106368 /nfs/dbraw/zinc/10/63/68/593106368.db2.gz UZJBYXCUXBGTAH-KRWDZBQOSA-N 1 3 337.508 1.602 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc2c(c1)CCC2 ZINC000103211477 593220421 /nfs/dbraw/zinc/22/04/21/593220421.db2.gz CSZWWNYXAVMHJI-UHFFFAOYSA-N 1 3 333.476 1.506 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1COC2=O ZINC000808913131 593298456 /nfs/dbraw/zinc/29/84/56/593298456.db2.gz JBPCDTHLRRKICM-UHFFFAOYSA-N 1 3 334.420 1.314 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810542213 593410847 /nfs/dbraw/zinc/41/08/47/593410847.db2.gz KTGUELAVUDPNRO-GOSISDBHSA-N 1 3 343.487 1.550 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+]C[C@@H](O)C3CC3)c2)C1 ZINC000819040603 593735009 /nfs/dbraw/zinc/73/50/09/593735009.db2.gz ODUOCFUOFCULOE-QZTJIDSGSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@@H](O)C3CC3)c2)C1 ZINC000819040603 593735010 /nfs/dbraw/zinc/73/50/10/593735010.db2.gz ODUOCFUOFCULOE-QZTJIDSGSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@@H](O)C3CC3)c2)C1 ZINC000819040603 593735011 /nfs/dbraw/zinc/73/50/11/593735011.db2.gz ODUOCFUOFCULOE-QZTJIDSGSA-N 1 3 331.460 1.244 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000822655092 594080230 /nfs/dbraw/zinc/08/02/30/594080230.db2.gz WNZFKJMOCRUGRW-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn(C)c1C1CC1 ZINC000822655092 594080231 /nfs/dbraw/zinc/08/02/31/594080231.db2.gz WNZFKJMOCRUGRW-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1CC1CC1 ZINC000822732019 594092796 /nfs/dbraw/zinc/09/27/96/594092796.db2.gz JEQLAQNEODIIIG-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnn1CC1CC1 ZINC000822732019 594092798 /nfs/dbraw/zinc/09/27/98/594092798.db2.gz JEQLAQNEODIIIG-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000826667970 594550422 /nfs/dbraw/zinc/55/04/22/594550422.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 1 3 334.508 1.290 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000826667970 594550424 /nfs/dbraw/zinc/55/04/24/594550424.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 1 3 334.508 1.290 20 0 EDADHO CN(CCC(=O)N1CCC(N2CCN(C)CC2)CC1)c1cc[nH+]cc1 ZINC000827445468 594672766 /nfs/dbraw/zinc/67/27/66/594672766.db2.gz QEHMOVBPRGAMLN-UHFFFAOYSA-N 1 3 345.491 1.146 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673538 /nfs/dbraw/zinc/67/35/38/594673538.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 1 3 348.535 1.632 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673539 /nfs/dbraw/zinc/67/35/39/594673539.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 1 3 348.535 1.632 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000841017341 594839680 /nfs/dbraw/zinc/83/96/80/594839680.db2.gz DKIRUWDBWMBKRM-UHFFFAOYSA-N 1 3 331.464 1.702 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841017620 594839900 /nfs/dbraw/zinc/83/99/00/594839900.db2.gz GXBGBYFFPRFSFR-IYBDPMFKSA-N 1 3 343.475 1.512 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017541 594839934 /nfs/dbraw/zinc/83/99/34/594839934.db2.gz FRFJTZKFLHWYIK-MRXNPFEDSA-N 1 3 345.491 1.950 20 0 EDADHO C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000841024353 594841224 /nfs/dbraw/zinc/84/12/24/594841224.db2.gz SCGBQFCNAMNKSX-UHFFFAOYSA-N 1 3 346.475 1.857 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1)N(C)C ZINC000841279750 594880611 /nfs/dbraw/zinc/88/06/11/594880611.db2.gz GCOZXLJZDPRJCB-BBRMVZONSA-N 1 3 348.447 1.667 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847375 594964755 /nfs/dbraw/zinc/96/47/55/594964755.db2.gz VTYINCNAPFMITG-MLGOLLRUSA-N 1 3 331.416 1.674 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000841850674 594965198 /nfs/dbraw/zinc/96/51/98/594965198.db2.gz BYDLQCUECUNIKZ-KRWDZBQOSA-N 1 3 336.505 1.424 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927099 594983386 /nfs/dbraw/zinc/98/33/86/594983386.db2.gz FQEFJAHOISBCQA-IBGZPJMESA-N 1 3 346.475 1.017 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842007227 595000820 /nfs/dbraw/zinc/00/08/20/595000820.db2.gz WZKYHYSFUDEUHQ-MGPQQGTHSA-N 1 3 330.423 1.405 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000843489869 595127800 /nfs/dbraw/zinc/12/78/00/595127800.db2.gz CYYWKNVVLGSXIT-QGZVFWFLSA-N 1 3 332.448 1.183 20 0 EDADHO O=C(CCCC[NH+]1CCCC1)Nc1ccc(N2CCNCC2)cn1 ZINC000844165224 595288360 /nfs/dbraw/zinc/28/83/60/595288360.db2.gz VLZUBVUCJMZYGF-UHFFFAOYSA-N 1 3 331.464 1.696 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319442 /nfs/dbraw/zinc/31/94/42/595319442.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319444 /nfs/dbraw/zinc/31/94/44/595319444.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 1 3 341.496 1.632 20 0 EDADHO NC[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000848596957 595414060 /nfs/dbraw/zinc/41/40/60/595414060.db2.gz BTPUAIALGRXDTA-BPCQOVAHSA-N 1 3 336.402 1.972 20 0 EDADHO COC[C@@H](C)NC(=[NH2+])NCc1ccc(OCCN2CCCC2)cc1 ZINC000849100608 595481806 /nfs/dbraw/zinc/48/18/06/595481806.db2.gz MOSKNMIVDCMJRX-OAHLLOKOSA-N 1 3 334.464 1.810 20 0 EDADHO OCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765197 595532947 /nfs/dbraw/zinc/53/29/47/595532947.db2.gz OASMKMBYSNEKQB-MRXNPFEDSA-N 1 3 335.496 1.551 20 0 EDADHO OCCCCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765197 595532948 /nfs/dbraw/zinc/53/29/48/595532948.db2.gz OASMKMBYSNEKQB-MRXNPFEDSA-N 1 3 335.496 1.551 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852857504 595578955 /nfs/dbraw/zinc/57/89/55/595578955.db2.gz VQWYGQWUZDAELJ-OAHLLOKOSA-N 1 3 334.420 1.449 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 ZINC000852859369 595580972 /nfs/dbraw/zinc/58/09/72/595580972.db2.gz SOKCBBAAIJNWJA-MRXNPFEDSA-N 1 3 348.447 1.127 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849583029 595581732 /nfs/dbraw/zinc/58/17/32/595581732.db2.gz QYCQEFXQZVSQRB-DLBZAZTESA-N 1 3 347.507 1.398 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873206 595592323 /nfs/dbraw/zinc/59/23/23/595592323.db2.gz QNRYFOWRFUKQGJ-SJORKVTESA-N 1 3 332.448 1.131 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CCN([C@H]2CCOC2)CC1 ZINC000853029232 595645388 /nfs/dbraw/zinc/64/53/88/595645388.db2.gz KTUUZIOUEGOPGS-CVEARBPZSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC1CCN([C@H]2CCOC2)CC1 ZINC000853029232 595645391 /nfs/dbraw/zinc/64/53/91/595645391.db2.gz KTUUZIOUEGOPGS-CVEARBPZSA-N 1 3 340.537 1.188 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CCCCC1 ZINC000853465222 595758604 /nfs/dbraw/zinc/75/86/04/595758604.db2.gz CWPQVIFRGVHYHL-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000854221671 596006608 /nfs/dbraw/zinc/00/66/08/596006608.db2.gz RIDDROOLSQXJOA-ZWKOTPCHSA-N 1 3 346.475 1.177 20 0 EDADHO CC(=O)[C@@](C)(O)CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604474 596032019 /nfs/dbraw/zinc/03/20/19/596032019.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 1 3 349.475 1.715 20 0 EDADHO CC(=O)[C@@](C)(O)CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604474 596032021 /nfs/dbraw/zinc/03/20/21/596032021.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 1 3 349.475 1.715 20 0 EDADHO CN1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180243 596177782 /nfs/dbraw/zinc/17/77/82/596177782.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 1 3 331.460 1.292 20 0 EDADHO CN1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180243 596177783 /nfs/dbraw/zinc/17/77/83/596177783.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 1 3 331.460 1.292 20 0 EDADHO C[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000865176090 596500787 /nfs/dbraw/zinc/50/07/87/596500787.db2.gz LXWRFCALSHOGLM-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865508584 596594157 /nfs/dbraw/zinc/59/41/57/596594157.db2.gz PEURZCCOICZURF-BLDCVEFLSA-N 1 3 327.469 1.288 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000869777192 596627809 /nfs/dbraw/zinc/62/78/09/596627809.db2.gz BFVPKANKOVHWNP-XHSDSOJGSA-N 1 3 346.427 1.252 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000869777192 596627813 /nfs/dbraw/zinc/62/78/13/596627813.db2.gz BFVPKANKOVHWNP-XHSDSOJGSA-N 1 3 346.427 1.252 20 0 EDADHO C[C@]1(CN2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654279 596645437 /nfs/dbraw/zinc/64/54/37/596645437.db2.gz VSGFMXZOZGDSBD-ADVQIIOHSA-N 1 3 345.409 1.717 20 0 EDADHO Cc1cc(NC(=O)N2C3CCC2(C[NH3+])CC3)n(C2CCN(C)CC2)n1 ZINC000868129508 596695784 /nfs/dbraw/zinc/69/57/84/596695784.db2.gz DREJBVAOPCQLRL-UHFFFAOYSA-N 1 3 346.479 1.946 20 0 EDADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000872153677 596814733 /nfs/dbraw/zinc/81/47/33/596814733.db2.gz GOLMKZYEYDVFSM-HZPDHXFCSA-N 1 3 331.416 1.465 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875743372 596970004 /nfs/dbraw/zinc/97/00/04/596970004.db2.gz QUAOXHBVKYLPKQ-CVEARBPZSA-N 1 3 340.512 1.251 20 0 EDADHO Cn1c(Cl)ncc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000874256947 596988964 /nfs/dbraw/zinc/98/89/64/596988964.db2.gz OODOXLWAFJNVEI-UHFFFAOYSA-N 1 3 339.871 1.362 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970879 597051858 /nfs/dbraw/zinc/05/18/58/597051858.db2.gz IDRABBBZMUTWLF-HOTGVXAUSA-N 1 3 339.484 1.209 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970879 597051863 /nfs/dbraw/zinc/05/18/63/597051863.db2.gz IDRABBBZMUTWLF-HOTGVXAUSA-N 1 3 339.484 1.209 20 0 EDADHO CC(C)[NH+]1CCC(NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873218304 597231544 /nfs/dbraw/zinc/23/15/44/597231544.db2.gz BYLQRDBYFOJAIE-UHFFFAOYSA-N 1 3 328.464 1.688 20 0 EDADHO CC(C)N1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873218304 597231548 /nfs/dbraw/zinc/23/15/48/597231548.db2.gz BYLQRDBYFOJAIE-UHFFFAOYSA-N 1 3 328.464 1.688 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC[C@H](C)C1 ZINC000876723020 597305903 /nfs/dbraw/zinc/30/59/03/597305903.db2.gz KSLMXIURWOHWOP-HOCLYGCPSA-N 1 3 333.480 1.578 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000876723655 597306821 /nfs/dbraw/zinc/30/68/21/597306821.db2.gz WJCMWNXALORVFC-JKSUJKDBSA-N 1 3 333.480 1.720 20 0 EDADHO CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000876729485 597310053 /nfs/dbraw/zinc/31/00/53/597310053.db2.gz OLYRUNQBJWVMNO-OALUTQOASA-N 1 3 346.519 1.779 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1 ZINC000876881498 597368393 /nfs/dbraw/zinc/36/83/93/597368393.db2.gz IAXDCHDEBAULRY-XQQFMLRXSA-N 1 3 331.794 1.899 20 0 EDADHO Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1Cl ZINC000888631149 597377424 /nfs/dbraw/zinc/37/74/24/597377424.db2.gz WDAJBFBBWFZWNR-NSHDSACASA-N 1 3 344.891 1.775 20 0 EDADHO Cc1nn(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1Cl ZINC000888631149 597377427 /nfs/dbraw/zinc/37/74/27/597377427.db2.gz WDAJBFBBWFZWNR-NSHDSACASA-N 1 3 344.891 1.775 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CCNC3)C[C@H]1C(F)(F)F ZINC000877355629 597499791 /nfs/dbraw/zinc/49/97/91/597499791.db2.gz NZGWQFHVQHVPSL-SMDDNHRTSA-N 1 3 327.350 1.542 20 0 EDADHO CC(C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1)S(C)(=O)=O ZINC000877446335 597516456 /nfs/dbraw/zinc/51/64/56/597516456.db2.gz HBYXQKDIYYCACU-IPYPFGDCSA-N 1 3 330.494 1.566 20 0 EDADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451218 597517249 /nfs/dbraw/zinc/51/72/49/597517249.db2.gz KQFMXDILALVGSW-CABCVRRESA-N 1 3 334.489 1.919 20 0 EDADHO COC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCOC1 ZINC000883191356 597682029 /nfs/dbraw/zinc/68/20/29/597682029.db2.gz ZRSOLKDUYFNAMU-NUJGCVRESA-N 1 3 326.481 1.519 20 0 EDADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000879709539 597697380 /nfs/dbraw/zinc/69/73/80/597697380.db2.gz MMLDVAPFFRPQQE-UHFFFAOYSA-N 1 3 327.513 1.530 20 0 EDADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000879709539 597697381 /nfs/dbraw/zinc/69/73/81/597697381.db2.gz MMLDVAPFFRPQQE-UHFFFAOYSA-N 1 3 327.513 1.530 20 0 EDADHO N[C@@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000884023636 597970849 /nfs/dbraw/zinc/97/08/49/597970849.db2.gz RQLYIFCHCRWJGL-CVEARBPZSA-N 1 3 331.416 1.661 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664156 597991026 /nfs/dbraw/zinc/99/10/26/597991026.db2.gz MPIDGNOPYOSKJG-KEYYUXOJSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664156 597991028 /nfs/dbraw/zinc/99/10/28/597991028.db2.gz MPIDGNOPYOSKJG-KEYYUXOJSA-N 1 3 335.496 1.464 20 0 EDADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](N)CCOC ZINC000884176233 598015336 /nfs/dbraw/zinc/01/53/36/598015336.db2.gz AEWTUSVHFRHSJD-CQSZACIVSA-N 1 3 347.463 1.680 20 0 EDADHO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000884229693 598037357 /nfs/dbraw/zinc/03/73/57/598037357.db2.gz YAVBXMYHFRUQPQ-SFHVURJKSA-N 1 3 345.487 1.505 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)Nc2cnc3c(c2)CNCC3)c1 ZINC000884243848 598041557 /nfs/dbraw/zinc/04/15/57/598041557.db2.gz QSLYPVBYGXFSGW-UHFFFAOYSA-N 1 3 326.400 1.578 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000881388451 598137562 /nfs/dbraw/zinc/13/75/62/598137562.db2.gz NQLPVKZXFMASQV-INIZCTEOSA-N 1 3 325.497 1.722 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)C[C@H]1C ZINC000914171666 695250354 /nfs/dbraw/zinc/25/03/54/695250354.db2.gz KXCSBUFIRUGAPA-IKGGRYGDSA-N 1 3 343.537 1.607 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)C[C@H]1C ZINC000914171666 695250356 /nfs/dbraw/zinc/25/03/56/695250356.db2.gz KXCSBUFIRUGAPA-IKGGRYGDSA-N 1 3 343.537 1.607 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)[C@H](C)C1 ZINC000914179171 695258939 /nfs/dbraw/zinc/25/89/39/695258939.db2.gz CNRMWGOUGJDZPU-IKGGRYGDSA-N 1 3 343.537 1.464 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)[C@H](C)C1 ZINC000914179171 695258941 /nfs/dbraw/zinc/25/89/41/695258941.db2.gz CNRMWGOUGJDZPU-IKGGRYGDSA-N 1 3 343.537 1.464 20 0 EDADHO C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000915208342 695763363 /nfs/dbraw/zinc/76/33/63/695763363.db2.gz FMIVOXJAYUDJBK-OWCLPIDISA-N 1 3 348.491 1.861 20 0 EDADHO CN1CCC[C@@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000919657233 697311642 /nfs/dbraw/zinc/31/16/42/697311642.db2.gz HRUFECWLGXNUGE-GOSISDBHSA-N 1 3 332.492 1.897 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)NC1CCN(C)CC1 ZINC000920312178 697422191 /nfs/dbraw/zinc/42/21/91/697422191.db2.gz XBSMZAWNLGHFJH-ZNMIVQPWSA-N 1 3 326.554 1.911 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)NC1CCN(C)CC1 ZINC000920312178 697422193 /nfs/dbraw/zinc/42/21/93/697422193.db2.gz XBSMZAWNLGHFJH-ZNMIVQPWSA-N 1 3 326.554 1.911 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031714745 697737583 /nfs/dbraw/zinc/73/75/83/697737583.db2.gz LYOATJKFLKKDED-HNNXBMFYSA-N 1 3 329.435 1.954 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031714745 697737586 /nfs/dbraw/zinc/73/75/86/697737586.db2.gz LYOATJKFLKKDED-HNNXBMFYSA-N 1 3 329.435 1.954 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(C)(NCc3nccs3)CC2)CC[N@@H+]1C ZINC000940120264 700253820 /nfs/dbraw/zinc/25/38/20/700253820.db2.gz LPKXLKIBFDVBHB-ZIAGYGMSSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(C)(NCc3nccs3)CC2)CC[N@H+]1C ZINC000940120264 700253826 /nfs/dbraw/zinc/25/38/26/700253826.db2.gz LPKXLKIBFDVBHB-ZIAGYGMSSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941567599 701579911 /nfs/dbraw/zinc/57/99/11/701579911.db2.gz YGGBDPLXXXAYRF-MRXNPFEDSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941567599 701579912 /nfs/dbraw/zinc/57/99/12/701579912.db2.gz YGGBDPLXXXAYRF-MRXNPFEDSA-N 1 3 334.508 1.099 20 0 EDADHO Cc1noc(C)c1CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939258555 699436233 /nfs/dbraw/zinc/43/62/33/699436233.db2.gz RBLDBZAXNQHPEZ-UGSOOPFHSA-N 1 3 348.491 1.960 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000939546817 699688948 /nfs/dbraw/zinc/68/89/48/699688948.db2.gz UKJFRKCNJKOFCD-WFASDCNBSA-N 1 3 334.489 1.484 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000940148910 700281758 /nfs/dbraw/zinc/28/17/58/700281758.db2.gz FURIEVHPJIHDMS-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cn1 ZINC000940163296 700297896 /nfs/dbraw/zinc/29/78/96/700297896.db2.gz YOVSSCMCMODFSH-KRWDZBQOSA-N 1 3 347.507 1.842 20 0 EDADHO CCn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995166677 701629516 /nfs/dbraw/zinc/62/95/16/701629516.db2.gz GVNRJOYOSBQVRI-CVEARBPZSA-N 1 3 345.491 1.373 20 0 EDADHO Cn1cc(CNC2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1 ZINC000940247562 700412251 /nfs/dbraw/zinc/41/22/51/700412251.db2.gz IWSFOLZGWCGPBX-UHFFFAOYSA-N 1 3 348.495 1.160 20 0 EDADHO Cc1nocc1C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000940328905 700507605 /nfs/dbraw/zinc/50/76/05/700507605.db2.gz MYBONJWDJVYEEY-CQSZACIVSA-N 1 3 334.464 1.796 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncc(OC)n2)CC1)N(C)C ZINC000940335360 700515826 /nfs/dbraw/zinc/51/58/26/700515826.db2.gz ZOEPTQFPWBOUOF-HNNXBMFYSA-N 1 3 349.479 1.296 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076016 700641508 /nfs/dbraw/zinc/64/15/08/700641508.db2.gz BTSHGRFCLRGWFX-HOCLYGCPSA-N 1 3 334.464 1.699 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940471976 700657293 /nfs/dbraw/zinc/65/72/93/700657293.db2.gz DTPBNIMWSLFZPG-HUUCEWRRSA-N 1 3 348.495 1.159 20 0 EDADHO Cc1cc(CNC[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079154 700683589 /nfs/dbraw/zinc/68/35/89/700683589.db2.gz MLILJKGHWSBVCI-WBVHZDCISA-N 1 3 347.507 1.445 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@@H](CC)OC)C2)C1 ZINC001031919224 701044475 /nfs/dbraw/zinc/04/44/75/701044475.db2.gz OZXWLAOEDYPHSK-IAGOWNOFSA-N 1 3 325.497 1.581 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@@H](CC)OC)C2)C1 ZINC001031919224 701044476 /nfs/dbraw/zinc/04/44/76/701044476.db2.gz OZXWLAOEDYPHSK-IAGOWNOFSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@H](c1cnccn1)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220482 701410903 /nfs/dbraw/zinc/41/09/03/701410903.db2.gz DYUQSMWFYXNATO-WBVHZDCISA-N 1 3 345.491 1.850 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236901 701427410 /nfs/dbraw/zinc/42/74/10/701427410.db2.gz CNVZHJFUZMMEMH-QAPCUYQASA-N 1 3 347.503 1.959 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236901 701427411 /nfs/dbraw/zinc/42/74/11/701427411.db2.gz CNVZHJFUZMMEMH-QAPCUYQASA-N 1 3 347.503 1.959 20 0 EDADHO C[C@@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518410 706602501 /nfs/dbraw/zinc/60/25/01/706602501.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 1 3 325.472 1.999 20 0 EDADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518410 706602505 /nfs/dbraw/zinc/60/25/05/706602505.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 1 3 325.472 1.999 20 0 EDADHO Cc1cc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000999174399 706606062 /nfs/dbraw/zinc/60/60/62/706606062.db2.gz OSKRFKHMSFXVJM-RDJZCZTQSA-N 1 3 348.516 1.874 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001032206025 702122941 /nfs/dbraw/zinc/12/29/41/702122941.db2.gz PRHPEWUJXXBWGX-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)c1 ZINC001032207694 702209027 /nfs/dbraw/zinc/20/90/27/702209027.db2.gz XQRSRQMBMYKJRY-MRXNPFEDSA-N 1 3 331.460 1.446 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC000999204233 706649853 /nfs/dbraw/zinc/64/98/53/706649853.db2.gz DLBCZQACFDZYBC-OKZBNKHCSA-N 1 3 347.507 1.539 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cn(C)nc3C)C2)CC[N@H+]1C ZINC000999204233 706649855 /nfs/dbraw/zinc/64/98/55/706649855.db2.gz DLBCZQACFDZYBC-OKZBNKHCSA-N 1 3 347.507 1.539 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994421 702372406 /nfs/dbraw/zinc/37/24/06/702372406.db2.gz DKJGZTAFMPCYRL-INIZCTEOSA-N 1 3 345.491 1.375 20 0 EDADHO C[C@H]1CN(CCC(F)(F)F)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169663 702411812 /nfs/dbraw/zinc/41/18/12/702411812.db2.gz PCSODHJDLAGIHE-STQMWFEESA-N 1 3 333.398 1.861 20 0 EDADHO CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996074693 702464375 /nfs/dbraw/zinc/46/43/75/702464375.db2.gz WRIMJSLMFPNJNA-IOSXPMGOSA-N 1 3 335.492 1.332 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072560 702484651 /nfs/dbraw/zinc/48/46/51/702484651.db2.gz QEZARLBCSBPTOD-BHEGOAEISA-N 1 3 333.476 1.086 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996250165 702651941 /nfs/dbraw/zinc/65/19/41/702651941.db2.gz STKFTSCHXCUULC-INIZCTEOSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300650 702692253 /nfs/dbraw/zinc/69/22/53/702692253.db2.gz NYSBMIFPPZNSJR-HOCLYGCPSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cn1 ZINC000996676375 702975516 /nfs/dbraw/zinc/97/55/16/702975516.db2.gz HGTLBRHIMPMXPV-KDOFPFPSSA-N 1 3 345.491 1.767 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)cn1 ZINC000996725136 703019607 /nfs/dbraw/zinc/01/96/07/703019607.db2.gz SCILXWGPXLUKAG-QGZVFWFLSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1nn(C)cc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598058 703112767 /nfs/dbraw/zinc/11/27/67/703112767.db2.gz QTRKLSRTDKLSOC-RDTXWAMCSA-N 1 3 347.507 1.397 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC000996997642 703254544 /nfs/dbraw/zinc/25/45/44/703254544.db2.gz FFESDVWMRPSQNM-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000997002636 703259228 /nfs/dbraw/zinc/25/92/28/703259228.db2.gz XQPUCHCXGZAINS-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1)N(C)C ZINC000997016248 703274905 /nfs/dbraw/zinc/27/49/05/703274905.db2.gz UFFQLGMAPOXZDE-ROUUACIJSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001060822150 703537431 /nfs/dbraw/zinc/53/74/31/703537431.db2.gz SNOANXVTUGGBMP-SHTZXODSSA-N 1 3 349.479 1.004 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366709 703600811 /nfs/dbraw/zinc/60/08/11/703600811.db2.gz JZRJRTVOWPVMEF-KRWDZBQOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000997604746 703900943 /nfs/dbraw/zinc/90/09/43/703900943.db2.gz CFQXESNTDSTZDL-INIZCTEOSA-N 1 3 336.505 1.874 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997612023 703909563 /nfs/dbraw/zinc/90/95/63/703909563.db2.gz IXHUEGHQMBINHF-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999303690 706797382 /nfs/dbraw/zinc/79/73/82/706797382.db2.gz IGOYQRUPGUVGEK-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999303690 706797385 /nfs/dbraw/zinc/79/73/85/706797385.db2.gz IGOYQRUPGUVGEK-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457356 704450731 /nfs/dbraw/zinc/45/07/31/704450731.db2.gz KEIQMLWSHLGHME-ZWKOTPCHSA-N 1 3 337.508 1.412 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457356 704450733 /nfs/dbraw/zinc/45/07/33/704450733.db2.gz KEIQMLWSHLGHME-ZWKOTPCHSA-N 1 3 337.508 1.412 20 0 EDADHO Cn1cncc1C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000998082486 705309305 /nfs/dbraw/zinc/30/93/05/705309305.db2.gz PWJANGMZNBVRQE-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC000998221036 705545791 /nfs/dbraw/zinc/54/57/91/705545791.db2.gz ADWDXKIGQULXHU-UHFFFAOYSA-N 1 3 345.491 1.153 20 0 EDADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998269293 705643299 /nfs/dbraw/zinc/64/32/99/705643299.db2.gz LYDSPMUHUOLQSF-UHFFFAOYSA-N 1 3 334.439 1.645 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998797480 706244698 /nfs/dbraw/zinc/24/46/98/706244698.db2.gz XBYVGNNBSGACTM-LHUBUQBQSA-N 1 3 346.475 1.509 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998797480 706244701 /nfs/dbraw/zinc/24/47/01/706244701.db2.gz XBYVGNNBSGACTM-LHUBUQBQSA-N 1 3 346.475 1.509 20 0 EDADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)on1 ZINC000946517195 706520607 /nfs/dbraw/zinc/52/06/07/706520607.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)on1 ZINC000946517195 706520610 /nfs/dbraw/zinc/52/06/10/706520610.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1cccnc1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999342750 706854668 /nfs/dbraw/zinc/85/46/68/706854668.db2.gz NLXJKCGUFXSFNI-UHFFFAOYSA-N 1 3 330.476 1.811 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999347245 706858513 /nfs/dbraw/zinc/85/85/13/706858513.db2.gz HUDVKIFGLPRRNF-MSOLQXFVSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999347245 706858516 /nfs/dbraw/zinc/85/85/16/706858516.db2.gz HUDVKIFGLPRRNF-MSOLQXFVSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)n1 ZINC000999373159 706867890 /nfs/dbraw/zinc/86/78/90/706867890.db2.gz FMIKHUZSQFPGNB-KRWDZBQOSA-N 1 3 347.507 1.565 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnoc3C)C[C@H]2CC1)N(C)C ZINC000946784256 707283454 /nfs/dbraw/zinc/28/34/54/707283454.db2.gz FCUKBVFZFZQEBS-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnoc3C)C[C@H]2CC1)N(C)C ZINC000946784256 707283456 /nfs/dbraw/zinc/28/34/56/707283456.db2.gz FCUKBVFZFZQEBS-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946784374 707309348 /nfs/dbraw/zinc/30/93/48/707309348.db2.gz HXUIBGVTVTUGOF-NXOAAHMSSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946784374 707309354 /nfs/dbraw/zinc/30/93/54/707309354.db2.gz HXUIBGVTVTUGOF-NXOAAHMSSA-N 1 3 325.497 1.532 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033317583 707504685 /nfs/dbraw/zinc/50/46/85/707504685.db2.gz BOBZHUYMYWBBTE-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001033317583 707504688 /nfs/dbraw/zinc/50/46/88/707504688.db2.gz BOBZHUYMYWBBTE-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871497 707514814 /nfs/dbraw/zinc/51/48/14/707514814.db2.gz MBPCHSFXDSLZHA-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000999875866 707522090 /nfs/dbraw/zinc/52/20/90/707522090.db2.gz BYMZOKXPKXCENL-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000999875866 707522094 /nfs/dbraw/zinc/52/20/94/707522094.db2.gz BYMZOKXPKXCENL-VMWRSERWSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000999876575 707523933 /nfs/dbraw/zinc/52/39/33/707523933.db2.gz OJRWBUYNMSLZCJ-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000999876575 707523938 /nfs/dbraw/zinc/52/39/38/707523938.db2.gz OJRWBUYNMSLZCJ-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004879943 707553085 /nfs/dbraw/zinc/55/30/85/707553085.db2.gz TWWYXHKXIKRNRT-CRAIPNDOSA-N 1 3 347.507 1.764 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986957 707658714 /nfs/dbraw/zinc/65/87/14/707658714.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 1 3 348.495 1.424 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986957 707658716 /nfs/dbraw/zinc/65/87/16/707658716.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 1 3 348.495 1.424 20 0 EDADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892403 708507854 /nfs/dbraw/zinc/50/78/54/708507854.db2.gz PELKFNPKNDPAPZ-SFHVURJKSA-N 1 3 335.492 1.763 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033904309 709032328 /nfs/dbraw/zinc/03/23/28/709032328.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033904309 709032331 /nfs/dbraw/zinc/03/23/31/709032331.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037723 709270338 /nfs/dbraw/zinc/27/03/38/709270338.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 1 3 347.507 1.320 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037723 709270342 /nfs/dbraw/zinc/27/03/42/709270342.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 1 3 347.507 1.320 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001034215307 709568641 /nfs/dbraw/zinc/56/86/41/709568641.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001034215307 709568645 /nfs/dbraw/zinc/56/86/45/709568645.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 1 3 347.507 1.274 20 0 EDADHO CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319110 709769114 /nfs/dbraw/zinc/76/91/14/709769114.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319110 709769118 /nfs/dbraw/zinc/76/91/18/709769118.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034395733 709933884 /nfs/dbraw/zinc/93/38/84/709933884.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 1 3 329.460 1.162 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N[C@H]2CCCCN(CCO)C2)C1 ZINC001034395733 709933890 /nfs/dbraw/zinc/93/38/90/709933890.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 1 3 329.460 1.162 20 0 EDADHO Cn1cc(CN2CCC(NC(=O)c3ccn4c[nH+]cc4c3)CC2)cn1 ZINC001003251970 710175453 /nfs/dbraw/zinc/17/54/53/710175453.db2.gz GYMRSNRLCLVIAU-UHFFFAOYSA-N 1 3 338.415 1.462 20 0 EDADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333243 710257319 /nfs/dbraw/zinc/25/73/19/710257319.db2.gz QIUBSIBQXFKQPI-PSPFXIJKSA-N 1 3 335.492 1.476 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628675 710458711 /nfs/dbraw/zinc/45/87/11/710458711.db2.gz SRXWFPUAFQSQFW-KBXCAEBGSA-N 1 3 343.487 1.814 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001034722005 710888812 /nfs/dbraw/zinc/88/88/12/710888812.db2.gz UPIRWOZRYFDSOW-RCBQFDQVSA-N 1 3 348.495 1.533 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC001034777800 711054446 /nfs/dbraw/zinc/05/44/46/711054446.db2.gz BDNMPHDDJRMYSW-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC001034777800 711054450 /nfs/dbraw/zinc/05/44/50/711054450.db2.gz BDNMPHDDJRMYSW-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001034777772 711057097 /nfs/dbraw/zinc/05/70/97/711057097.db2.gz KPXOOANNQAUEHJ-WKILWMFISA-N 1 3 345.491 1.516 20 0 EDADHO Cc1nnsc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792128 711118387 /nfs/dbraw/zinc/11/83/87/711118387.db2.gz FSFNNFBBNZZEDK-IHRRRGAJSA-N 1 3 337.493 1.315 20 0 EDADHO Cc1nnsc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792128 711118392 /nfs/dbraw/zinc/11/83/92/711118392.db2.gz FSFNNFBBNZZEDK-IHRRRGAJSA-N 1 3 337.493 1.315 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792048 711118562 /nfs/dbraw/zinc/11/85/62/711118562.db2.gz CUVRZRWNNLBOKA-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792048 711118566 /nfs/dbraw/zinc/11/85/66/711118566.db2.gz CUVRZRWNNLBOKA-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cn1 ZINC001034881290 711281321 /nfs/dbraw/zinc/28/13/21/711281321.db2.gz GRMYXCNOAXFALM-CVEARBPZSA-N 1 3 332.448 1.265 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005742885 711366364 /nfs/dbraw/zinc/36/63/64/711366364.db2.gz XADKBRDYGVSHLU-IPCDKGFNSA-N 1 3 347.503 1.573 20 0 EDADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cn1 ZINC001034957831 711430755 /nfs/dbraw/zinc/43/07/55/711430755.db2.gz LFJACDWHJCEJEH-QGZVFWFLSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1ccccc1OCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004149198 711563544 /nfs/dbraw/zinc/56/35/44/711563544.db2.gz FZTXVDMCFBUMTF-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1ccccc1OCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004149198 711563546 /nfs/dbraw/zinc/56/35/46/711563546.db2.gz FZTXVDMCFBUMTF-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946633093 712054052 /nfs/dbraw/zinc/05/40/52/712054052.db2.gz HXDMHHDZUNVSGQ-NCOADZHNSA-N 1 3 325.497 1.124 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]2CC1)N(C)C ZINC000946633093 712054057 /nfs/dbraw/zinc/05/40/57/712054057.db2.gz HXDMHHDZUNVSGQ-NCOADZHNSA-N 1 3 325.497 1.124 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174201942 282116329 /nfs/dbraw/zinc/11/63/29/282116329.db2.gz GVAAWWIGKUMCOC-RTBURBONSA-N 1 3 342.487 1.815 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000173924434 231071730 /nfs/dbraw/zinc/07/17/30/231071730.db2.gz VXZNFDWYGJFMQR-UHFFFAOYSA-N 1 3 336.484 1.829 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000178875643 232566070 /nfs/dbraw/zinc/56/60/70/232566070.db2.gz ZDXORBUUAFGQSN-IBGZPJMESA-N 1 3 344.503 1.847 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000180996079 234055638 /nfs/dbraw/zinc/05/56/38/234055638.db2.gz LQQQYPSERHCJKU-IBGZPJMESA-N 1 3 346.475 1.126 20 0 EDADHO CC(C)C[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563114336 306318797 /nfs/dbraw/zinc/31/87/97/306318797.db2.gz YWARVOBFIOQGJJ-INIZCTEOSA-N 1 3 347.507 1.956 20 0 EDADHO CCOCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758404 138135394 /nfs/dbraw/zinc/13/53/94/138135394.db2.gz CFCIGAQPGKLIBN-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CN1CCN(C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000093204700 138292525 /nfs/dbraw/zinc/29/25/25/138292525.db2.gz YYGTVVOWQTYHBR-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422792197 296002238 /nfs/dbraw/zinc/00/22/38/296002238.db2.gz QXSAGPJINUDPNU-ROUUACIJSA-N 1 3 338.540 1.293 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000565420697 306383633 /nfs/dbraw/zinc/38/36/33/306383633.db2.gz NCVUVZBAUQIKQK-DLBZAZTESA-N 1 3 338.540 1.638 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000566016924 306396642 /nfs/dbraw/zinc/39/66/42/306396642.db2.gz JWZBIQJCEOUIJN-QGZVFWFLSA-N 1 3 333.476 1.940 20 0 EDADHO COc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414480668 304117721 /nfs/dbraw/zinc/11/77/21/304117721.db2.gz JGUFFAWRWPLUHA-UHFFFAOYSA-N 1 3 333.476 1.581 20 0 EDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000414488484 304118895 /nfs/dbraw/zinc/11/88/95/304118895.db2.gz UIJAWWAMJDMROJ-SJORKVTESA-N 1 3 341.565 1.903 20 0 EDADHO COc1cccc2c1CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414746201 304136345 /nfs/dbraw/zinc/13/63/45/304136345.db2.gz RUEMLUUOKYLOFP-OAHLLOKOSA-N 1 3 331.460 1.293 20 0 EDADHO COc1cccc2c1CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414746201 304136346 /nfs/dbraw/zinc/13/63/46/304136346.db2.gz RUEMLUUOKYLOFP-OAHLLOKOSA-N 1 3 331.460 1.293 20 0 EDADHO COCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCSC1 ZINC000414761601 304138366 /nfs/dbraw/zinc/13/83/66/304138366.db2.gz JOXPLMPLVNMSOH-GJZGRUSLSA-N 1 3 329.510 1.028 20 0 EDADHO COCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCCSC1 ZINC000414761601 304138368 /nfs/dbraw/zinc/13/83/68/304138368.db2.gz JOXPLMPLVNMSOH-GJZGRUSLSA-N 1 3 329.510 1.028 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773534 304139493 /nfs/dbraw/zinc/13/94/93/304139493.db2.gz DNGHVYKPPNFLJG-HUUCEWRRSA-N 1 3 327.428 1.604 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773532 304139308 /nfs/dbraw/zinc/13/93/08/304139308.db2.gz DNGHVYKPPNFLJG-GJZGRUSLSA-N 1 3 327.428 1.604 20 0 EDADHO Cc1nn(-c2cccc(F)c2)cc1CNCCCN1CC[NH2+]CC1 ZINC000414797720 304141974 /nfs/dbraw/zinc/14/19/74/304141974.db2.gz PLLVSNKAQAPHEY-UHFFFAOYSA-N 1 3 331.439 1.705 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC(N)(CC)CC)CC1 ZINC000414804960 304142950 /nfs/dbraw/zinc/14/29/50/304142950.db2.gz FVAFFKYVXWCEMY-AWEZNQCLSA-N 1 3 341.496 1.674 20 0 EDADHO COc1ccc(CCN[C@@H](C)C[C@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091216 304158768 /nfs/dbraw/zinc/15/87/68/304158768.db2.gz PYXJLXFXSJRFQW-GXTWGEPZSA-N 1 3 341.477 1.005 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236613994 139027015 /nfs/dbraw/zinc/02/70/15/139027015.db2.gz XXQVMMCMCSWGLH-KRWDZBQOSA-N 1 3 330.476 1.699 20 0 EDADHO COc1ccc([C@H]2[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCCN2C)cc1 ZINC000237384943 139049794 /nfs/dbraw/zinc/04/97/94/139049794.db2.gz GHFXQTWIFPDMBI-SZMVWBNQSA-N 1 3 331.460 1.946 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826852 220199324 /nfs/dbraw/zinc/19/93/24/220199324.db2.gz VYHDVVBVXKRRPW-JKSUJKDBSA-N 1 3 328.501 1.373 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000246994990 139130121 /nfs/dbraw/zinc/13/01/21/139130121.db2.gz PKSIBYDXMRVMRO-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000246994990 139130122 /nfs/dbraw/zinc/13/01/22/139130122.db2.gz PKSIBYDXMRVMRO-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000247293552 139143741 /nfs/dbraw/zinc/14/37/41/139143741.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000247293552 139143742 /nfs/dbraw/zinc/14/37/42/139143742.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 1 3 340.512 1.517 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247969983 139156331 /nfs/dbraw/zinc/15/63/31/139156331.db2.gz IWZGTVVVADOEAQ-BHIYHBOVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247969983 139156332 /nfs/dbraw/zinc/15/63/32/139156332.db2.gz IWZGTVVVADOEAQ-BHIYHBOVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247969983 139156333 /nfs/dbraw/zinc/15/63/33/139156333.db2.gz IWZGTVVVADOEAQ-BHIYHBOVSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247969983 139156334 /nfs/dbraw/zinc/15/63/34/139156334.db2.gz IWZGTVVVADOEAQ-BHIYHBOVSA-N 1 3 348.487 1.989 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000248430297 139163381 /nfs/dbraw/zinc/16/33/81/139163381.db2.gz BPBHNYWFHBEXDM-QFBILLFUSA-N 1 3 347.503 1.990 20 0 EDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCN1C(=O)NC(C)(C)C1=O ZINC000360958870 284728274 /nfs/dbraw/zinc/72/82/74/284728274.db2.gz RNTZKFVQGISFBH-CABCVRRESA-N 1 3 338.496 1.807 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415411653 304216540 /nfs/dbraw/zinc/21/65/40/304216540.db2.gz BJIVXGAQNUEEIP-HNNXBMFYSA-N 1 3 346.475 1.663 20 0 EDADHO Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674549 139216312 /nfs/dbraw/zinc/21/63/12/139216312.db2.gz MCOMGOCVZMJFAN-HUUCEWRRSA-N 1 3 332.448 1.176 20 0 EDADHO Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674549 139216313 /nfs/dbraw/zinc/21/63/13/139216313.db2.gz MCOMGOCVZMJFAN-HUUCEWRRSA-N 1 3 332.448 1.176 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261869692 139232848 /nfs/dbraw/zinc/23/28/48/139232848.db2.gz NYJPKLJEJIHHFJ-UHFFFAOYSA-N 1 3 346.475 1.271 20 0 EDADHO C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000261872350 139232917 /nfs/dbraw/zinc/23/29/17/139232917.db2.gz SMSNKDWKDLNEDY-MJGOQNOKSA-N 1 3 344.503 1.785 20 0 EDADHO N[C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046405 139246452 /nfs/dbraw/zinc/24/64/52/139246452.db2.gz QPFZBCRMXDCLEG-UONOGXRCSA-N 1 3 344.381 1.029 20 0 EDADHO Fc1ccc(-c2n[nH]cc2CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262089338 139249978 /nfs/dbraw/zinc/24/99/78/139249978.db2.gz GOUGOBRZRLIXCN-KRWDZBQOSA-N 1 3 329.423 1.695 20 0 EDADHO COc1ccc(-c2n[nH]cc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262110174 139251668 /nfs/dbraw/zinc/25/16/68/139251668.db2.gz KHNGQPNLQAMTCP-QGZVFWFLSA-N 1 3 341.459 1.565 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128159 139253334 /nfs/dbraw/zinc/25/33/34/139253334.db2.gz CUEMRZGXOQOIOV-CRAIPNDOSA-N 1 3 349.450 1.785 20 0 EDADHO c1cnc(Oc2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129473 139253372 /nfs/dbraw/zinc/25/33/72/139253372.db2.gz NSJUDLKFHFASIN-QGZVFWFLSA-N 1 3 339.443 1.748 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000262131242 139253617 /nfs/dbraw/zinc/25/36/17/139253617.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)N2CCNCC2)C1 ZINC000262131242 139253618 /nfs/dbraw/zinc/25/36/18/139253618.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 1 3 336.524 1.395 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415572951 304228736 /nfs/dbraw/zinc/22/87/36/304228736.db2.gz VAJSKTBOBAITJB-HIFRSBDPSA-N 1 3 332.448 1.191 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416795510 251110745 /nfs/dbraw/zinc/11/07/45/251110745.db2.gz UFPGIDVIRICVIQ-ROUUACIJSA-N 1 3 342.487 1.902 20 0 EDADHO CC1CCN(CCNC(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000417008734 251129291 /nfs/dbraw/zinc/12/92/91/251129291.db2.gz JETBAJORKGVRRJ-UHFFFAOYSA-N 1 3 326.485 1.258 20 0 EDADHO CC[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417020159 251134108 /nfs/dbraw/zinc/13/41/08/251134108.db2.gz RRRFTIDZBWKLQH-YJBOKZPZSA-N 1 3 330.476 1.814 20 0 EDADHO CN(C(=O)NCCCN1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417020460 251136233 /nfs/dbraw/zinc/13/62/33/251136233.db2.gz JBWBNOKOPSHSTK-UHFFFAOYSA-N 1 3 330.476 1.828 20 0 EDADHO COCC1(CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002639 251126967 /nfs/dbraw/zinc/12/69/67/251126967.db2.gz AUAACJOAUYQUKT-HOTGVXAUSA-N 1 3 340.512 1.422 20 0 EDADHO C[C@H]1CNCCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417090140 251140734 /nfs/dbraw/zinc/14/07/34/251140734.db2.gz UUNOCERTEFCRHQ-HNNXBMFYSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H]1CNCCN1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000417090140 251140738 /nfs/dbraw/zinc/14/07/38/251140738.db2.gz UUNOCERTEFCRHQ-HNNXBMFYSA-N 1 3 330.476 1.827 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417543657 251185503 /nfs/dbraw/zinc/18/55/03/251185503.db2.gz GBUWLSLMSGKYNP-KGLIPLIRSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000417595211 251202357 /nfs/dbraw/zinc/20/23/57/251202357.db2.gz XRAORLDUTDTDKU-RDJZCZTQSA-N 1 3 334.464 1.185 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000417647082 251211881 /nfs/dbraw/zinc/21/18/81/251211881.db2.gz DYALWVGJSJHMJP-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO COCC1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262394293 139275923 /nfs/dbraw/zinc/27/59/23/139275923.db2.gz QASJGTQCOXFNPW-IYBDPMFKSA-N 1 3 341.496 1.008 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417633378 251210195 /nfs/dbraw/zinc/21/01/95/251210195.db2.gz YBFDUOQQLSNLHL-AWEZNQCLSA-N 1 3 328.526 1.727 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CCNC(C)(C)C2)Cc2ccccc2C1 ZINC000417735670 251248415 /nfs/dbraw/zinc/24/84/15/251248415.db2.gz LPWVKRZSBZPOEG-UHFFFAOYSA-N 1 3 330.476 1.479 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417802787 251277386 /nfs/dbraw/zinc/27/73/86/251277386.db2.gz DXSNZNQEEKZOCG-JKSUJKDBSA-N 1 3 340.512 1.502 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000417813084 251280955 /nfs/dbraw/zinc/28/09/55/251280955.db2.gz QTNVBOHFHAODNX-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128212 251336694 /nfs/dbraw/zinc/33/66/94/251336694.db2.gz AGJMIGFVRPQQCU-CEXWTWQISA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H](C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)[C@H](C)[NH3+] ZINC000262523704 139284218 /nfs/dbraw/zinc/28/42/18/139284218.db2.gz JQIQKZMKZORZLA-CVEARBPZSA-N 1 3 348.491 1.259 20 0 EDADHO C[C@@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)[NH3+] ZINC000262524849 139284262 /nfs/dbraw/zinc/28/42/62/139284262.db2.gz KGTPTQWICHJBAD-VNHYZAJKSA-N 1 3 332.448 1.306 20 0 EDADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000418202076 251355680 /nfs/dbraw/zinc/35/56/80/251355680.db2.gz IMDBKZUTQUNBAB-IAOVAPTHSA-N 1 3 334.464 1.390 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418199232 251355712 /nfs/dbraw/zinc/35/57/12/251355712.db2.gz WPVSAOLEORGRNM-MRXNPFEDSA-N 1 3 349.479 1.353 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000262793827 139304067 /nfs/dbraw/zinc/30/40/67/139304067.db2.gz DKJWYCWQYSFMFQ-MRXNPFEDSA-N 1 3 335.448 1.772 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCNS(C)(=O)=O)CC1 ZINC000121272422 296329470 /nfs/dbraw/zinc/32/94/70/296329470.db2.gz LRBPASQRCQPWCL-ZBFHGGJFSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000422892676 252013592 /nfs/dbraw/zinc/01/35/92/252013592.db2.gz ZEFJLWSSTDIQNS-KBXCAEBGSA-N 1 3 331.460 1.966 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902277 252017304 /nfs/dbraw/zinc/01/73/04/252017304.db2.gz MPUXAODWFXYPGI-UXLLHSPISA-N 1 3 347.459 1.418 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902277 252017308 /nfs/dbraw/zinc/01/73/08/252017308.db2.gz MPUXAODWFXYPGI-UXLLHSPISA-N 1 3 347.459 1.418 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000424464588 252239001 /nfs/dbraw/zinc/23/90/01/252239001.db2.gz ITLLZMJPKGCHMN-XJKSGUPXSA-N 1 3 332.448 1.333 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458370429 285022994 /nfs/dbraw/zinc/02/29/94/285022994.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458370429 285022997 /nfs/dbraw/zinc/02/29/97/285022997.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 1 3 338.496 1.225 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073217068 285204238 /nfs/dbraw/zinc/20/42/38/285204238.db2.gz UHNONSVLGFUGEI-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491848817 255152172 /nfs/dbraw/zinc/15/21/72/255152172.db2.gz UGZRPGKSDDMLRB-YFHOEESVSA-N 1 3 344.503 1.558 20 0 EDADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(Cc2ccccc2)CC1 ZINC000495155338 255270846 /nfs/dbraw/zinc/27/08/46/255270846.db2.gz ZHTCBDIFHPCNEG-OAOYMFHYSA-N 1 3 327.472 1.664 20 0 EDADHO O=C(CNC[C@H]1CCCO1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000296176971 258011034 /nfs/dbraw/zinc/01/10/34/258011034.db2.gz MQSDQNLDKVKAQX-ZWKOTPCHSA-N 1 3 346.475 1.321 20 0 EDADHO O=C(CCN1CCc2ccccc2C1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000416179537 304293249 /nfs/dbraw/zinc/29/32/49/304293249.db2.gz PZMIZGZCVCEDNE-IBGZPJMESA-N 1 3 345.487 1.398 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481116 141324364 /nfs/dbraw/zinc/32/43/64/141324364.db2.gz CBXQCJMYNORVAY-ZOBUZTSGSA-N 1 3 338.496 1.269 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCSCC2)[C@@H](C)C1 ZINC000346620965 143222924 /nfs/dbraw/zinc/22/29/24/143222924.db2.gz RVAYAVPRDOIWKM-DLBZAZTESA-N 1 3 329.554 1.762 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCSCC2)[C@@H](C)C1 ZINC000346620965 143222925 /nfs/dbraw/zinc/22/29/25/143222925.db2.gz RVAYAVPRDOIWKM-DLBZAZTESA-N 1 3 329.554 1.762 20 0 EDADHO CN(C)C(=O)COc1ccccc1CN1CCC(OCCC[NH3+])CC1 ZINC000346653783 143226859 /nfs/dbraw/zinc/22/68/59/143226859.db2.gz FIZQRSJOGNSTCO-UHFFFAOYSA-N 1 3 349.475 1.483 20 0 EDADHO COc1cc2c(c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142644 143287081 /nfs/dbraw/zinc/28/70/81/143287081.db2.gz WYHKZDBJGXVGSE-UONOGXRCSA-N 1 3 347.459 1.306 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318308 /nfs/dbraw/zinc/31/83/08/143318308.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 1 3 331.504 1.943 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000347983598 143387352 /nfs/dbraw/zinc/38/73/52/143387352.db2.gz BRSJBOVCRMQQBN-PMPSAXMXSA-N 1 3 325.497 1.865 20 0 EDADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cn1 ZINC000352784371 149164735 /nfs/dbraw/zinc/16/47/35/149164735.db2.gz TVRARBGVZDDZIY-KRWDZBQOSA-N 1 3 338.471 1.652 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000416968659 304357071 /nfs/dbraw/zinc/35/70/71/304357071.db2.gz JLTJSTWSZOISPK-HZPDHXFCSA-N 1 3 334.464 1.554 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000416970808 304357575 /nfs/dbraw/zinc/35/75/75/304357575.db2.gz OFMAVMNDCKSEPD-RDJZCZTQSA-N 1 3 348.491 1.896 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416980216 304360533 /nfs/dbraw/zinc/36/05/33/304360533.db2.gz YICBVESTSBVXSX-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000354861528 150000024 /nfs/dbraw/zinc/00/00/24/150000024.db2.gz OOIKWOFESQCJJF-GOSISDBHSA-N 1 3 328.460 1.993 20 0 EDADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(C2CC2)C1=O ZINC000354861528 150000026 /nfs/dbraw/zinc/00/00/26/150000026.db2.gz OOIKWOFESQCJJF-GOSISDBHSA-N 1 3 328.460 1.993 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000355082499 150108001 /nfs/dbraw/zinc/10/80/01/150108001.db2.gz MQWAFJWTQOLTFJ-PBHICJAKSA-N 1 3 334.464 1.003 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416984911 304361395 /nfs/dbraw/zinc/36/13/95/304361395.db2.gz YDVQNOOEINRJDK-INIZCTEOSA-N 1 3 332.492 1.848 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417030987 304362820 /nfs/dbraw/zinc/36/28/20/304362820.db2.gz PXPYWTDNWOEZLA-CRAIPNDOSA-N 1 3 330.476 1.861 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417038064 304364298 /nfs/dbraw/zinc/36/42/98/304364298.db2.gz UJOKFCUYJFSDHH-JKSUJKDBSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417038064 304364299 /nfs/dbraw/zinc/36/42/99/304364299.db2.gz UJOKFCUYJFSDHH-JKSUJKDBSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417045108 304365955 /nfs/dbraw/zinc/36/59/55/304365955.db2.gz YVQLGWXWUSVWMZ-MJBXVCDLSA-N 1 3 332.439 1.651 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417045108 304365957 /nfs/dbraw/zinc/36/59/57/304365957.db2.gz YVQLGWXWUSVWMZ-MJBXVCDLSA-N 1 3 332.439 1.651 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCN(C)CC1 ZINC000357873447 151179912 /nfs/dbraw/zinc/17/99/12/151179912.db2.gz UEKDIMYNHHUAKL-LSDHHAIUSA-N 1 3 342.553 1.842 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CCN(C)CC1 ZINC000357873447 151179913 /nfs/dbraw/zinc/17/99/13/151179913.db2.gz UEKDIMYNHHUAKL-LSDHHAIUSA-N 1 3 342.553 1.842 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358132696 151283259 /nfs/dbraw/zinc/28/32/59/151283259.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 1 3 340.512 1.166 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000358132696 151283260 /nfs/dbraw/zinc/28/32/60/151283260.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360343919 152000912 /nfs/dbraw/zinc/00/09/12/152000912.db2.gz DRGOBAOCTFRAHN-OAHLLOKOSA-N 1 3 333.567 1.615 20 0 EDADHO CSC1(CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000360694197 152157563 /nfs/dbraw/zinc/15/75/63/152157563.db2.gz MAARIYCMEBCIII-UONOGXRCSA-N 1 3 328.526 1.405 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000360743738 152180815 /nfs/dbraw/zinc/18/08/15/152180815.db2.gz GHPHDTQFTZCWIJ-NVXWUHKLSA-N 1 3 340.537 1.694 20 0 EDADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1(C)C ZINC000361238615 152342710 /nfs/dbraw/zinc/34/27/10/152342710.db2.gz VBZKOGQLIBKFOV-ROUUACIJSA-N 1 3 341.540 1.558 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417181122 304381334 /nfs/dbraw/zinc/38/13/34/304381334.db2.gz HQWZGEFMBPKVKK-MJGOQNOKSA-N 1 3 330.476 1.554 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000363595183 153008788 /nfs/dbraw/zinc/00/87/88/153008788.db2.gz MAEOEIWVUBIOSY-INIZCTEOSA-N 1 3 347.507 1.728 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363683798 153028297 /nfs/dbraw/zinc/02/82/97/153028297.db2.gz UFYZILINSCRPKE-IXDOHACOSA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnn(CCN2CCCCC2)c1 ZINC000364872943 153357814 /nfs/dbraw/zinc/35/78/14/153357814.db2.gz SVUWZOBATIQUGL-INIZCTEOSA-N 1 3 333.480 1.489 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000367283583 154066608 /nfs/dbraw/zinc/06/66/08/154066608.db2.gz XGDQHJQKSPFBMV-QAQDUYKDSA-N 1 3 337.508 1.903 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417300537 304390927 /nfs/dbraw/zinc/39/09/27/304390927.db2.gz UJZWHLISDJTJKS-OAHLLOKOSA-N 1 3 326.485 1.175 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574809661 306657136 /nfs/dbraw/zinc/65/71/36/306657136.db2.gz PQUQBVKTXBJPLT-KURKYZTESA-N 1 3 331.460 1.301 20 0 EDADHO COCCN1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000370483319 155513080 /nfs/dbraw/zinc/51/30/80/155513080.db2.gz JBSOEDXIMDVJEZ-UHFFFAOYSA-N 1 3 338.496 1.413 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1(C)C ZINC000372495838 156422076 /nfs/dbraw/zinc/42/20/76/156422076.db2.gz ISAGCNBVHAZOAW-MKSNKDDYSA-N 1 3 349.450 1.611 20 0 EDADHO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029936 /nfs/dbraw/zinc/02/99/36/157029936.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 1 3 344.503 1.699 20 0 EDADHO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029938 /nfs/dbraw/zinc/02/99/38/157029938.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 1 3 344.503 1.699 20 0 EDADHO COCCCNC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299174 157229983 /nfs/dbraw/zinc/22/99/83/157229983.db2.gz YBMZYPXBAOXDKB-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO COCCCNC(=O)[C@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299174 157229985 /nfs/dbraw/zinc/22/99/85/157229985.db2.gz YBMZYPXBAOXDKB-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1CCN(CCCN2CCc3ccccc3[C@H]2C(N)=O)CC1 ZINC000374320896 157242812 /nfs/dbraw/zinc/24/28/12/157242812.db2.gz NRYUHJOTBPNITR-IBGZPJMESA-N 1 3 344.503 1.487 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C)CC(C)(C)C[NH3+])ccn1 ZINC000417950748 304436471 /nfs/dbraw/zinc/43/64/71/304436471.db2.gz MGQZVHHLUMZADE-UHFFFAOYSA-N 1 3 337.468 1.148 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352208398 162050036 /nfs/dbraw/zinc/05/00/36/162050036.db2.gz NGOHWHSKOCREEV-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418182095 304460958 /nfs/dbraw/zinc/46/09/58/304460958.db2.gz MDCFEJBLXDJWNO-WBVHZDCISA-N 1 3 336.480 1.521 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OC2CCC2)c1 ZINC000090042463 287329377 /nfs/dbraw/zinc/32/93/77/287329377.db2.gz VACNTXGNWCQQAC-UHFFFAOYSA-N 1 3 334.464 1.578 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000418310262 304478168 /nfs/dbraw/zinc/47/81/68/304478168.db2.gz OPWQEXOTARGFEU-UHFFFAOYSA-N 1 3 332.492 1.944 20 0 EDADHO CC(=O)Nc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000122186858 287378541 /nfs/dbraw/zinc/37/85/41/287378541.db2.gz ZFRVTOACKIUOSV-UHFFFAOYSA-N 1 3 335.452 1.602 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N(C)C ZINC000121981376 287376481 /nfs/dbraw/zinc/37/64/81/287376481.db2.gz PNCWOJNRDVVYLV-ULQDDVLXSA-N 1 3 325.497 1.457 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000166219780 226152005 /nfs/dbraw/zinc/15/20/05/226152005.db2.gz HEZBCOCZBXFAGW-KRWDZBQOSA-N 1 3 331.460 1.633 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000166453314 226158720 /nfs/dbraw/zinc/15/87/20/226158720.db2.gz YIWVITKXLWTBNG-IRXDYDNUSA-N 1 3 346.475 1.112 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[NH2+]CC3CC3)ccc2oc1=O ZINC000166618335 226164253 /nfs/dbraw/zinc/16/42/53/226164253.db2.gz TVOQBSGUUVQXFF-UHFFFAOYSA-N 1 3 332.404 1.094 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418353410 304484399 /nfs/dbraw/zinc/48/43/99/304484399.db2.gz NJMNSTMWOMVJES-IRXDYDNUSA-N 1 3 334.464 1.488 20 0 EDADHO O=C1CCN(CNCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000273062224 273026718 /nfs/dbraw/zinc/02/67/18/273026718.db2.gz JEQVSKRIGYSJTI-UHFFFAOYSA-N 1 3 344.503 1.801 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CCO1 ZINC000275638592 268367062 /nfs/dbraw/zinc/36/70/62/268367062.db2.gz LLOMVSVDYSYZDY-INIZCTEOSA-N 1 3 334.464 1.585 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189607 273076121 /nfs/dbraw/zinc/07/61/21/273076121.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189607 273076122 /nfs/dbraw/zinc/07/61/22/273076122.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 1 3 330.476 1.854 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655921764 452683715 /nfs/dbraw/zinc/68/37/15/452683715.db2.gz PNVSTLXWYFLSCO-NWDGAFQWSA-N 1 3 340.390 1.018 20 0 EDADHO CCC[C@@H](C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000367454791 276020749 /nfs/dbraw/zinc/02/07/49/276020749.db2.gz WPEREMXRTRDSTF-SFHVURJKSA-N 1 3 338.540 1.593 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000236885805 276196643 /nfs/dbraw/zinc/19/66/43/276196643.db2.gz MMWRTGQRVDSDOB-INIZCTEOSA-N 1 3 332.492 1.296 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218527 /nfs/dbraw/zinc/21/85/27/276218527.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218528 /nfs/dbraw/zinc/21/85/28/276218528.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 1 3 349.519 1.963 20 0 EDADHO C[NH2+]CCCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000237161316 277266600 /nfs/dbraw/zinc/26/66/00/277266600.db2.gz WUAWGAIFKZYCRV-GOSISDBHSA-N 1 3 332.492 1.481 20 0 EDADHO C[NH2+]CCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000286319988 287981319 /nfs/dbraw/zinc/98/13/19/287981319.db2.gz YIYCGQQOLVFBKP-KRWDZBQOSA-N 1 3 345.491 1.052 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034847 /nfs/dbraw/zinc/03/48/47/278034847.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034850 /nfs/dbraw/zinc/03/48/50/278034850.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 1 3 334.508 1.985 20 0 EDADHO CC[NH+]1CCC(N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000358839036 279257582 /nfs/dbraw/zinc/25/75/82/279257582.db2.gz YWLSFORGGUDQKU-LJQANCHMSA-N 1 3 346.519 1.822 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000496306949 279306444 /nfs/dbraw/zinc/30/64/44/279306444.db2.gz KNSNIBNQADYUQG-HZSPNIEDSA-N 1 3 341.500 1.886 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358927161 279311029 /nfs/dbraw/zinc/31/10/29/279311029.db2.gz OCADFRBDQIUUML-CQSZACIVSA-N 1 3 328.526 1.597 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094985 279370903 /nfs/dbraw/zinc/37/09/03/279370903.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 1 3 349.523 1.058 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094985 279370908 /nfs/dbraw/zinc/37/09/08/279370908.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 1 3 349.523 1.058 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)CC[NH3+])c(C)c2)CC1 ZINC000414752839 279375140 /nfs/dbraw/zinc/37/51/40/279375140.db2.gz PLMRNUXBHZASTF-HNNXBMFYSA-N 1 3 333.480 1.996 20 0 EDADHO CC[C@@H](CNC(=[NH2+])NC[C@H]1CCCN1CC)NC(=O)OC(C)(C)C ZINC000496177607 280141373 /nfs/dbraw/zinc/14/13/73/280141373.db2.gz IKGYKGBDHPFVLX-UONOGXRCSA-N 1 3 341.500 1.888 20 0 EDADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344983 288215203 /nfs/dbraw/zinc/21/52/03/288215203.db2.gz GNNOGYAZYHQTEZ-CQSZACIVSA-N 1 3 346.475 1.694 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290043486 288827330 /nfs/dbraw/zinc/82/73/30/288827330.db2.gz GRUGYPQFEYDYBQ-MSOLQXFVSA-N 1 3 342.487 1.267 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292262833 289300755 /nfs/dbraw/zinc/30/07/55/289300755.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 1 3 347.459 1.412 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292262833 289300759 /nfs/dbraw/zinc/30/07/59/289300759.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 1 3 347.459 1.412 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000333379196 290274690 /nfs/dbraw/zinc/27/46/90/290274690.db2.gz NKAARJLQLJCVEV-HRCADAONSA-N 1 3 345.491 1.999 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000377124499 295267362 /nfs/dbraw/zinc/26/73/62/295267362.db2.gz FQGNGUOULCFZTG-WBVHZDCISA-N 1 3 333.480 1.616 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000418163480 302203505 /nfs/dbraw/zinc/20/35/05/302203505.db2.gz DLQJRYXPYWSJHF-ZOBUZTSGSA-N 1 3 334.464 1.355 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094465 303408723 /nfs/dbraw/zinc/40/87/23/303408723.db2.gz BXFIUTNUIGAIDS-GXTWGEPZSA-N 1 3 345.896 1.725 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423119614 304887606 /nfs/dbraw/zinc/88/76/06/304887606.db2.gz FEAOMUAVLRSIOT-JHJVBQTASA-N 1 3 331.507 1.617 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000423938433 304919755 /nfs/dbraw/zinc/91/97/55/304919755.db2.gz JEMGGWOYWQWEDQ-GDBMZVCRSA-N 1 3 342.447 1.195 20 0 EDADHO Cc1cccc(CN2CCN(C(=O)CN3CCC(C[NH3+])CC3)CC2)c1 ZINC000430598094 305057801 /nfs/dbraw/zinc/05/78/01/305057801.db2.gz BQVKHDOXXZIUDV-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647716 305061198 /nfs/dbraw/zinc/06/11/98/305061198.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 1 3 345.491 1.322 20 0 EDADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647716 305061199 /nfs/dbraw/zinc/06/11/99/305061199.db2.gz QLGFQXIBRVCXIF-IAGOWNOFSA-N 1 3 345.491 1.322 20 0 EDADHO CSc1ccc(OCCN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660432 305061548 /nfs/dbraw/zinc/06/15/48/305061548.db2.gz DHGKJRNKPZCUPM-AWEZNQCLSA-N 1 3 337.489 1.574 20 0 EDADHO CSCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430704470 305062877 /nfs/dbraw/zinc/06/28/77/305062877.db2.gz XSSPDGKTEVZVND-MRXNPFEDSA-N 1 3 337.489 1.662 20 0 EDADHO NC1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000430865985 305066460 /nfs/dbraw/zinc/06/64/60/305066460.db2.gz FKHGCYLNXOKUTK-UHFFFAOYSA-N 1 3 330.432 1.931 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876707 305066651 /nfs/dbraw/zinc/06/66/51/305066651.db2.gz GSBCQUYKXIRJLT-BMFZPTHFSA-N 1 3 344.459 1.450 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1 ZINC000430917272 305067935 /nfs/dbraw/zinc/06/79/35/305067935.db2.gz YGENKYLLEIGTLG-ZWKOTPCHSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1 ZINC000430917272 305067936 /nfs/dbraw/zinc/06/79/36/305067936.db2.gz YGENKYLLEIGTLG-ZWKOTPCHSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059694 305074067 /nfs/dbraw/zinc/07/40/67/305074067.db2.gz CXDMQGLDCRSHFR-YVWKXTFCSA-N 1 3 345.487 1.954 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105894 /nfs/dbraw/zinc/10/58/94/305105894.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105895 /nfs/dbraw/zinc/10/58/95/305105895.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433348506 305106129 /nfs/dbraw/zinc/10/61/29/305106129.db2.gz AAZQYUHIFAWHHC-INIZCTEOSA-N 1 3 332.492 1.504 20 0 EDADHO [NH3+]C[C@@H](NC(=O)CNC[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668624 305127002 /nfs/dbraw/zinc/12/70/02/305127002.db2.gz BMVCIHGQQOWECZ-QZTJIDSGSA-N 1 3 327.428 1.724 20 0 EDADHO CN(CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435616271 305143511 /nfs/dbraw/zinc/14/35/11/305143511.db2.gz KHAYSWVRKDJZSP-INIZCTEOSA-N 1 3 332.448 1.476 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000436300853 305155542 /nfs/dbraw/zinc/15/55/42/305155542.db2.gz LFWKPTXNNVGVGW-YQQAZPJKSA-N 1 3 333.476 1.672 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000436300851 305155621 /nfs/dbraw/zinc/15/56/21/305155621.db2.gz LFWKPTXNNVGVGW-BFYDXBDKSA-N 1 3 333.476 1.672 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CCN(C)C)[C@@H](C)C1 ZINC000436487152 305158599 /nfs/dbraw/zinc/15/85/99/305158599.db2.gz KEQIQWHJXLGJCV-LSDHHAIUSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CCN(C)C)[C@@H](C)C1 ZINC000436487152 305158600 /nfs/dbraw/zinc/15/86/00/305158600.db2.gz KEQIQWHJXLGJCV-LSDHHAIUSA-N 1 3 336.484 1.639 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000446366441 305263749 /nfs/dbraw/zinc/26/37/49/305263749.db2.gz JPYFLYZFFVMFEM-YYAJDYIMSA-N 1 3 335.492 1.463 20 0 EDADHO COc1cc(F)cc(C[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000449145970 305307831 /nfs/dbraw/zinc/30/78/31/305307831.db2.gz ASUUNOSHXQTGRQ-UHFFFAOYSA-N 1 3 339.455 1.314 20 0 EDADHO COCCN1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000457989247 305498183 /nfs/dbraw/zinc/49/81/83/305498183.db2.gz RIKSOZWLBYAIKE-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419694476 447353891 /nfs/dbraw/zinc/35/38/91/447353891.db2.gz JMTUBGUQABACJH-OAHLLOKOSA-N 1 3 340.512 1.247 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520368285 305778685 /nfs/dbraw/zinc/77/86/85/305778685.db2.gz JCQAMOUSRHUNPN-ZWKOTPCHSA-N 1 3 330.476 1.715 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000533734803 306002777 /nfs/dbraw/zinc/00/27/77/306002777.db2.gz WPCNBRXZCQOMDH-UHFFFAOYSA-N 1 3 348.495 1.031 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000536353643 306020268 /nfs/dbraw/zinc/02/02/68/306020268.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 1 3 346.475 1.015 20 0 EDADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000536353643 306020269 /nfs/dbraw/zinc/02/02/69/306020269.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 1 3 346.475 1.015 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000458450731 447375298 /nfs/dbraw/zinc/37/52/98/447375298.db2.gz GJGQLVXBJOSGCM-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000415109408 447389153 /nfs/dbraw/zinc/38/91/53/447389153.db2.gz PKJVYQOERCZMDB-UONOGXRCSA-N 1 3 335.448 1.552 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)CC1 ZINC000426306490 447415717 /nfs/dbraw/zinc/41/57/17/447415717.db2.gz GEUUDRXAGSLURC-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC[C@H](C)C1 ZINC000419806239 447424566 /nfs/dbraw/zinc/42/45/66/447424566.db2.gz RCZDFCAKKYGEKU-GJZGRUSLSA-N 1 3 338.496 1.001 20 0 EDADHO CC1CCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000046370713 441104706 /nfs/dbraw/zinc/10/47/06/441104706.db2.gz RBJWDCWOUQKYNR-UHFFFAOYSA-N 1 3 331.464 1.645 20 0 EDADHO C[N@@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073013051 441286358 /nfs/dbraw/zinc/28/63/58/441286358.db2.gz RNBZJCGWSSAPNG-KRWDZBQOSA-N 1 3 330.476 1.267 20 0 EDADHO C[N@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073013051 441286362 /nfs/dbraw/zinc/28/63/62/441286362.db2.gz RNBZJCGWSSAPNG-KRWDZBQOSA-N 1 3 330.476 1.267 20 0 EDADHO CC(C)[N@@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000073334081 441309776 /nfs/dbraw/zinc/30/97/76/441309776.db2.gz SSMFOYGBBPXIIZ-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)[N@H+]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000073334081 441309778 /nfs/dbraw/zinc/30/97/78/441309778.db2.gz SSMFOYGBBPXIIZ-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646423 /nfs/dbraw/zinc/64/64/23/441646423.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 1 3 331.504 1.942 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646427 /nfs/dbraw/zinc/64/64/27/441646427.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 1 3 331.504 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646430 /nfs/dbraw/zinc/64/64/30/441646430.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 1 3 331.504 1.942 20 0 EDADHO CN(C)[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000114381743 441650922 /nfs/dbraw/zinc/65/09/22/441650922.db2.gz QPFBCSVXFJQPLX-IBGZPJMESA-N 1 3 346.519 1.679 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN1CCOCC1 ZINC000158822477 441767359 /nfs/dbraw/zinc/76/73/59/441767359.db2.gz DKUCUTGRPZGHIN-QYZOEREBSA-N 1 3 339.524 1.578 20 0 EDADHO CNC(=O)NC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396318 441921258 /nfs/dbraw/zinc/92/12/58/441921258.db2.gz VIAPGEAITHTPMW-MRXNPFEDSA-N 1 3 332.448 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396318 441921264 /nfs/dbraw/zinc/92/12/64/441921264.db2.gz VIAPGEAITHTPMW-MRXNPFEDSA-N 1 3 332.448 1.286 20 0 EDADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)CCCN1CCN(C)CC1 ZINC000174723343 441958470 /nfs/dbraw/zinc/95/84/70/441958470.db2.gz KBOAVUIMKTXTQF-KRWDZBQOSA-N 1 3 344.503 1.534 20 0 EDADHO C[C@@H](C(=O)N1CCc2ccccc21)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723343 441958477 /nfs/dbraw/zinc/95/84/77/441958477.db2.gz KBOAVUIMKTXTQF-KRWDZBQOSA-N 1 3 344.503 1.534 20 0 EDADHO CN(CCCN1CCN(C)CC1)CC(=O)N1CCc2ccccc21 ZINC000174720711 441959730 /nfs/dbraw/zinc/95/97/30/441959730.db2.gz YYFVBQPJLUDQJL-UHFFFAOYSA-N 1 3 330.476 1.145 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000126419672 442110868 /nfs/dbraw/zinc/11/08/68/442110868.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000126419672 442110870 /nfs/dbraw/zinc/11/08/70/442110870.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO COC1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000164627120 442200272 /nfs/dbraw/zinc/20/02/72/442200272.db2.gz FEIKVUTVUXWIEW-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO CSCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168849057 442225657 /nfs/dbraw/zinc/22/56/57/442225657.db2.gz ASRRPZZIXFUWDB-CQSZACIVSA-N 1 3 329.510 1.218 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000153490987 442285495 /nfs/dbraw/zinc/28/54/95/442285495.db2.gz SWQMEZCMVHTASN-MRXNPFEDSA-N 1 3 340.512 1.207 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000153490987 442285497 /nfs/dbraw/zinc/28/54/97/442285497.db2.gz SWQMEZCMVHTASN-MRXNPFEDSA-N 1 3 340.512 1.207 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000153677304 442295221 /nfs/dbraw/zinc/29/52/21/442295221.db2.gz BSAFHCOQXWETLY-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000129206095 442306172 /nfs/dbraw/zinc/30/61/72/442306172.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000129206095 442306176 /nfs/dbraw/zinc/30/61/76/442306176.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 1 3 334.508 1.987 20 0 EDADHO COc1cc(C[NH+]2CCC(CN3CCOCC3)CC2)cc2c1OCO2 ZINC000134058506 442448242 /nfs/dbraw/zinc/44/82/42/442448242.db2.gz LBKKBLRYCJHJLG-UHFFFAOYSA-N 1 3 348.443 1.968 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000178768411 442479482 /nfs/dbraw/zinc/47/94/82/442479482.db2.gz KIXIHHFGEKXDSH-KRWDZBQOSA-N 1 3 330.476 1.375 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1 ZINC000179026284 442554267 /nfs/dbraw/zinc/55/42/67/442554267.db2.gz PWKUSKJGTYBVMB-QGZVFWFLSA-N 1 3 344.503 1.899 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000180017729 442529190 /nfs/dbraw/zinc/52/91/90/442529190.db2.gz WADMXBFEXVJLLU-IAGOWNOFSA-N 1 3 343.537 1.653 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000180017729 442529197 /nfs/dbraw/zinc/52/91/97/442529197.db2.gz WADMXBFEXVJLLU-IAGOWNOFSA-N 1 3 343.537 1.653 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000180017729 442529200 /nfs/dbraw/zinc/52/92/00/442529200.db2.gz WADMXBFEXVJLLU-IAGOWNOFSA-N 1 3 343.537 1.653 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192810680 442688701 /nfs/dbraw/zinc/68/87/01/442688701.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 1 3 344.503 1.693 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192810680 442688705 /nfs/dbraw/zinc/68/87/05/442688705.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 1 3 344.503 1.693 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000187952327 442700075 /nfs/dbraw/zinc/70/00/75/442700075.db2.gz AFDLGNPFZCWHDP-YJBOKZPZSA-N 1 3 325.497 1.458 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000187967458 442700915 /nfs/dbraw/zinc/70/09/15/442700915.db2.gz CQXGTLYUYGQSKK-TTZDDIAXSA-N 1 3 337.489 1.624 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(CC)CCO)C1 ZINC000187267999 442665953 /nfs/dbraw/zinc/66/59/53/442665953.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 1 3 342.528 1.500 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(CC)CCO)C1 ZINC000187267999 442665955 /nfs/dbraw/zinc/66/59/55/442665955.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 1 3 342.528 1.500 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194449976 442898605 /nfs/dbraw/zinc/89/86/05/442898605.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 1 3 348.491 1.122 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194449976 442898609 /nfs/dbraw/zinc/89/86/09/442898609.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 1 3 348.491 1.122 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000195138597 442988245 /nfs/dbraw/zinc/98/82/45/442988245.db2.gz QYKOGQKMRYXEQQ-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000195138597 442988251 /nfs/dbraw/zinc/98/82/51/442988251.db2.gz QYKOGQKMRYXEQQ-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[N@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000266121746 443025205 /nfs/dbraw/zinc/02/52/05/443025205.db2.gz HZJSJRRQFFQNEM-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO C[N@@H+](CCNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000266121746 443025207 /nfs/dbraw/zinc/02/52/07/443025207.db2.gz HZJSJRRQFFQNEM-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236997092 443155307 /nfs/dbraw/zinc/15/53/07/443155307.db2.gz DLATVZUGJGMIIC-SJLPKXTDSA-N 1 3 330.476 1.686 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000185473126 443204638 /nfs/dbraw/zinc/20/46/38/443204638.db2.gz DBTLKEKPVQSADS-MRXNPFEDSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000382919014 319125207 /nfs/dbraw/zinc/12/52/07/319125207.db2.gz ZYTKLWALJIFLJH-HZPDHXFCSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000382919014 319125208 /nfs/dbraw/zinc/12/52/08/319125208.db2.gz ZYTKLWALJIFLJH-HZPDHXFCSA-N 1 3 340.512 1.469 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522927 319135235 /nfs/dbraw/zinc/13/52/35/319135235.db2.gz VMFMNWPQUWQNLH-LSDHHAIUSA-N 1 3 341.496 1.726 20 0 EDADHO C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412252736 319228560 /nfs/dbraw/zinc/22/85/60/319228560.db2.gz QPMRSBFCTCZMFX-IBGZPJMESA-N 1 3 331.460 1.469 20 0 EDADHO C[N@H+]1CC[C@](O)(CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412252736 319228562 /nfs/dbraw/zinc/22/85/62/319228562.db2.gz QPMRSBFCTCZMFX-IBGZPJMESA-N 1 3 331.460 1.469 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000269270745 443260330 /nfs/dbraw/zinc/26/03/30/443260330.db2.gz SHHPVOSUEPVFDZ-CQSZACIVSA-N 1 3 335.423 1.395 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000414674617 319339807 /nfs/dbraw/zinc/33/98/07/319339807.db2.gz KVKCSRSLQKSNTA-HOTGVXAUSA-N 1 3 346.475 1.768 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679924 319340632 /nfs/dbraw/zinc/34/06/32/319340632.db2.gz MFAOJJZAORYSEP-SJORKVTESA-N 1 3 327.476 1.840 20 0 EDADHO COc1cc(C)c(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684180 319341529 /nfs/dbraw/zinc/34/15/29/319341529.db2.gz UXXNPPVFUJGLNP-OAHLLOKOSA-N 1 3 349.475 1.641 20 0 EDADHO COc1cc(C)c(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000414684180 319341531 /nfs/dbraw/zinc/34/15/31/319341531.db2.gz UXXNPPVFUJGLNP-OAHLLOKOSA-N 1 3 349.475 1.641 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000414693545 319343200 /nfs/dbraw/zinc/34/32/00/319343200.db2.gz CCPHFAHPAWQWHK-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000415196556 319349189 /nfs/dbraw/zinc/34/91/89/319349189.db2.gz SAPPCVIQLUCUMZ-INIZCTEOSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1CN(C)C ZINC000415687028 319363845 /nfs/dbraw/zinc/36/38/45/319363845.db2.gz IKMRFZDQKVCGRR-SFHVURJKSA-N 1 3 332.448 1.192 20 0 EDADHO O=C(NC[C@H]1CCCCN1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892324 319381825 /nfs/dbraw/zinc/38/18/25/319381825.db2.gz IFJQMDPPYNSFMA-QGZVFWFLSA-N 1 3 332.448 1.301 20 0 EDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000269308591 443276778 /nfs/dbraw/zinc/27/67/78/443276778.db2.gz VBOIKGYKPVZZQP-QGZVFWFLSA-N 1 3 332.448 1.146 20 0 EDADHO C[N@H+]1CCCN(c2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000269308591 443276783 /nfs/dbraw/zinc/27/67/83/443276783.db2.gz VBOIKGYKPVZZQP-QGZVFWFLSA-N 1 3 332.448 1.146 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191328567 443278978 /nfs/dbraw/zinc/27/89/78/443278978.db2.gz LUGAJSFFUHTXON-KRWDZBQOSA-N 1 3 325.497 1.317 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208381 443279412 /nfs/dbraw/zinc/27/94/12/443279412.db2.gz JZSAGDYSKNMEJP-FUHWJXTLSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208381 443279415 /nfs/dbraw/zinc/27/94/15/443279415.db2.gz JZSAGDYSKNMEJP-FUHWJXTLSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000416851890 319466779 /nfs/dbraw/zinc/46/67/79/319466779.db2.gz RWVHNXRWQYMKJP-MSOLQXFVSA-N 1 3 332.492 1.800 20 0 EDADHO COC[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000272715180 443418292 /nfs/dbraw/zinc/41/82/92/443418292.db2.gz WGFUBDKYWNCOCA-GOSISDBHSA-N 1 3 335.492 1.968 20 0 EDADHO CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCN(C)CC1 ZINC000264948947 443487963 /nfs/dbraw/zinc/48/79/63/443487963.db2.gz XQTOMVLLTUCQHT-LJQANCHMSA-N 1 3 346.519 1.750 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@@]2(COC)CC[NH2+]C2)N(C)C)cc1 ZINC000423307441 319763058 /nfs/dbraw/zinc/76/30/58/319763058.db2.gz NEHSGTAUCMMPJK-HKUYNNGSSA-N 1 3 333.476 1.594 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700084 320332431 /nfs/dbraw/zinc/33/24/31/320332431.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700084 320332432 /nfs/dbraw/zinc/33/24/32/320332432.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000475045039 320353562 /nfs/dbraw/zinc/35/35/62/320353562.db2.gz IKUQQVJYQDGUMI-MHORFTMASA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000475045039 320353563 /nfs/dbraw/zinc/35/35/63/320353563.db2.gz IKUQQVJYQDGUMI-MHORFTMASA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000475045041 320353652 /nfs/dbraw/zinc/35/36/52/320353652.db2.gz IKUQQVJYQDGUMI-XSLAGTTESA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000475045041 320353653 /nfs/dbraw/zinc/35/36/53/320353653.db2.gz IKUQQVJYQDGUMI-XSLAGTTESA-N 1 3 335.471 1.549 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812258 443749124 /nfs/dbraw/zinc/74/91/24/443749124.db2.gz MDMIGDXARVNIKH-UYAOXDASSA-N 1 3 327.472 1.941 20 0 EDADHO CC[NH+]1CCC(CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000557860260 321008137 /nfs/dbraw/zinc/00/81/37/321008137.db2.gz XYJOOSCALVAAJO-UHFFFAOYSA-N 1 3 334.464 1.484 20 0 EDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641482 321139653 /nfs/dbraw/zinc/13/96/53/321139653.db2.gz WDPZOPSIOVIJOS-GOEBONIOSA-N 1 3 343.537 1.843 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H]3CCOC3)CC2)CC1 ZINC000566441881 321230969 /nfs/dbraw/zinc/23/09/69/321230969.db2.gz LNAJXSBIINHZSB-INIZCTEOSA-N 1 3 337.508 1.678 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000567881196 321264974 /nfs/dbraw/zinc/26/49/74/321264974.db2.gz UQSBLYCJYZWVOH-HUUCEWRRSA-N 1 3 340.512 1.199 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000568739800 321303840 /nfs/dbraw/zinc/30/38/40/321303840.db2.gz SBVPJIRZMKDNOZ-OKZBNKHCSA-N 1 3 349.500 1.689 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCN(C)CC1 ZINC000569048053 321315627 /nfs/dbraw/zinc/31/56/27/321315627.db2.gz KRVFDHGLGTVGKN-CQSZACIVSA-N 1 3 328.526 1.455 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCN(C)CC1 ZINC000569048053 321315629 /nfs/dbraw/zinc/31/56/29/321315629.db2.gz KRVFDHGLGTVGKN-CQSZACIVSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000571668886 321396041 /nfs/dbraw/zinc/39/60/41/321396041.db2.gz YWWWLOHPQOOJOF-KRWDZBQOSA-N 1 3 342.491 1.946 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000571675994 321396858 /nfs/dbraw/zinc/39/68/58/321396858.db2.gz NQXWQKCCSJMVHP-KBXCAEBGSA-N 1 3 331.460 1.258 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000295177876 444168533 /nfs/dbraw/zinc/16/85/33/444168533.db2.gz MJCORAJYFNMVJZ-GOSISDBHSA-N 1 3 346.519 1.651 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000290023345 444232179 /nfs/dbraw/zinc/23/21/79/444232179.db2.gz RGXZBYUFFJVJIZ-ZIAGYGMSSA-N 1 3 346.431 1.483 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000304023246 444240793 /nfs/dbraw/zinc/24/07/93/444240793.db2.gz YPIFMIYGKWRZOG-KRWDZBQOSA-N 1 3 340.512 1.253 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000304023246 444240796 /nfs/dbraw/zinc/24/07/96/444240796.db2.gz YPIFMIYGKWRZOG-KRWDZBQOSA-N 1 3 340.512 1.253 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731163 444289909 /nfs/dbraw/zinc/28/99/09/444289909.db2.gz PDJOTNMFTHDGEU-SJORKVTESA-N 1 3 333.501 1.720 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731163 444289910 /nfs/dbraw/zinc/28/99/10/444289910.db2.gz PDJOTNMFTHDGEU-SJORKVTESA-N 1 3 333.501 1.720 20 0 EDADHO C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000340469561 444390955 /nfs/dbraw/zinc/39/09/55/444390955.db2.gz KSAUTQJTAVMWHV-FUHWJXTLSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@@H](CC(N)=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469561 444390958 /nfs/dbraw/zinc/39/09/58/444390958.db2.gz KSAUTQJTAVMWHV-FUHWJXTLSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@@H](CC(N)=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469561 444390962 /nfs/dbraw/zinc/39/09/62/444390962.db2.gz KSAUTQJTAVMWHV-FUHWJXTLSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@H](CC(N)=O)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000340469557 444391024 /nfs/dbraw/zinc/39/10/24/444391024.db2.gz KSAUTQJTAVMWHV-AEFFLSMTSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@H](CC(N)=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469557 444391027 /nfs/dbraw/zinc/39/10/27/444391027.db2.gz KSAUTQJTAVMWHV-AEFFLSMTSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@H](CC(N)=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469557 444391029 /nfs/dbraw/zinc/39/10/29/444391029.db2.gz KSAUTQJTAVMWHV-AEFFLSMTSA-N 1 3 345.487 1.769 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCC2CC[NH+](CC)CC2)c1C ZINC000580151066 322014344 /nfs/dbraw/zinc/01/43/44/322014344.db2.gz WUOAKIJTAPDTCW-UHFFFAOYSA-N 1 3 336.480 1.885 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)Cc1ccccc1 ZINC000580545198 322064171 /nfs/dbraw/zinc/06/41/71/322064171.db2.gz IALZFAGNABCKPB-LEWJYISDSA-N 1 3 340.467 1.946 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000580832239 322101047 /nfs/dbraw/zinc/10/10/47/322101047.db2.gz TXPJSRDZJDTCGR-RLFYNMQTSA-N 1 3 334.464 1.048 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000581308414 322162144 /nfs/dbraw/zinc/16/21/44/322162144.db2.gz MUGLZWFASDUUDO-KRWDZBQOSA-N 1 3 346.475 1.920 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)nnn3C)C[C@@H](C)O1 ZINC000343782277 444588023 /nfs/dbraw/zinc/58/80/23/444588023.db2.gz NRTTUJVQKSRZLL-HUUCEWRRSA-N 1 3 331.464 1.947 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596842 /nfs/dbraw/zinc/59/68/42/444596842.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 1 3 333.476 1.327 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596843 /nfs/dbraw/zinc/59/68/43/444596843.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 1 3 333.476 1.327 20 0 EDADHO CC[C@@H](O)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341082828 444664427 /nfs/dbraw/zinc/66/44/27/444664427.db2.gz IDXOFSGDMJNGSM-QGZVFWFLSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H]1CCCN1C(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919648 444668437 /nfs/dbraw/zinc/66/84/37/444668437.db2.gz GXELZUDWBDMLJE-SQNIBIBYSA-N 1 3 336.524 1.345 20 0 EDADHO CC(=O)Nc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333891198 444709967 /nfs/dbraw/zinc/70/99/67/444709967.db2.gz XDFGCCJVZXGDJW-MSOLQXFVSA-N 1 3 329.444 1.845 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333926220 444720066 /nfs/dbraw/zinc/72/00/66/444720066.db2.gz VGKABDOXTOFQHZ-IECFSIQFSA-N 1 3 328.460 1.511 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NCCN(C)CCCOC)CC1 ZINC000341199390 444723916 /nfs/dbraw/zinc/72/39/16/444723916.db2.gz KIYXLEJAIHPVNN-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333948633 444726750 /nfs/dbraw/zinc/72/67/50/444726750.db2.gz WMNYHFCLIRYKEI-CABCVRRESA-N 1 3 340.537 1.775 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781409 444696900 /nfs/dbraw/zinc/69/69/00/444696900.db2.gz KWPCYUXHRKBDSH-ULQDDVLXSA-N 1 3 332.448 1.191 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)NCCN(C)C)CCCC2)CC1 ZINC000342676347 444809151 /nfs/dbraw/zinc/80/91/51/444809151.db2.gz IMYNNNBQDIIERG-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2(O)CCC2)CC1 ZINC000341400646 444811637 /nfs/dbraw/zinc/81/16/37/444811637.db2.gz RSTJPEVNKTVSED-UHFFFAOYSA-N 1 3 333.476 1.664 20 0 EDADHO CO[C@@H](C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000338836522 444880439 /nfs/dbraw/zinc/88/04/39/444880439.db2.gz RRTJGAWXZOUPSW-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO CN(c1ccccc1C[NH2+]C[C@@H](O)[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000344478509 444999865 /nfs/dbraw/zinc/99/98/65/444999865.db2.gz IJYGVAMITCVXID-YLJYHZDGSA-N 1 3 347.503 1.704 20 0 EDADHO CN(c1ccccc1CNC[C@@H](O)[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000344478509 444999869 /nfs/dbraw/zinc/99/98/69/444999869.db2.gz IJYGVAMITCVXID-YLJYHZDGSA-N 1 3 347.503 1.704 20 0 EDADHO CCOC(=O)COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344554537 445056021 /nfs/dbraw/zinc/05/60/21/445056021.db2.gz PTGFSSXYGQFIPP-UHFFFAOYSA-N 1 3 336.432 1.175 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343176313 445116529 /nfs/dbraw/zinc/11/65/29/445116529.db2.gz ZXDVNLROUKYPBH-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343177390 445118250 /nfs/dbraw/zinc/11/82/50/445118250.db2.gz KCFBQWAGEKAOJC-JKSUJKDBSA-N 1 3 340.512 1.071 20 0 EDADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000343439712 445222874 /nfs/dbraw/zinc/22/28/74/445222874.db2.gz FUOFNZCEBUVMQR-YOEHRIQHSA-N 1 3 349.450 1.999 20 0 EDADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000343517957 445237420 /nfs/dbraw/zinc/23/74/20/445237420.db2.gz XNUAPXUHOZEFMT-CZUORRHYSA-N 1 3 349.450 1.999 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C1 ZINC000347534462 445242253 /nfs/dbraw/zinc/24/22/53/445242253.db2.gz AAMWXXATCONZFM-ZJIFWQFVSA-N 1 3 326.485 1.220 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000359742454 445402864 /nfs/dbraw/zinc/40/28/64/445402864.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000359742454 445402869 /nfs/dbraw/zinc/40/28/69/445402869.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 1 3 325.497 1.866 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000352073618 445473741 /nfs/dbraw/zinc/47/37/41/445473741.db2.gz HTBOWDSBQISTOP-HNNXBMFYSA-N 1 3 326.485 1.294 20 0 EDADHO CCN1C[C@H](C)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000355067786 445442514 /nfs/dbraw/zinc/44/25/14/445442514.db2.gz YNIIAIRKDXOGGX-ZIFCJYIRSA-N 1 3 346.519 1.820 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000360002215 445522163 /nfs/dbraw/zinc/52/21/63/445522163.db2.gz ANOOFHZQNROBOO-IAGOWNOFSA-N 1 3 337.489 1.415 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000359927267 445492612 /nfs/dbraw/zinc/49/26/12/445492612.db2.gz XDPWFDYEAHPJFS-IAGOWNOFSA-N 1 3 342.528 1.499 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000359927267 445492615 /nfs/dbraw/zinc/49/26/15/445492615.db2.gz XDPWFDYEAHPJFS-IAGOWNOFSA-N 1 3 342.528 1.499 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759311 445536177 /nfs/dbraw/zinc/53/61/77/445536177.db2.gz ZBNLHMNXQVCXSC-INMHGKMJSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759311 445536179 /nfs/dbraw/zinc/53/61/79/445536179.db2.gz ZBNLHMNXQVCXSC-INMHGKMJSA-N 1 3 340.537 1.549 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108109 445574979 /nfs/dbraw/zinc/57/49/79/445574979.db2.gz FHLAKCTVHZDCNO-GVDBMIGSSA-N 1 3 338.496 1.365 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000349439913 445588045 /nfs/dbraw/zinc/58/80/45/445588045.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000349439913 445588049 /nfs/dbraw/zinc/58/80/49/445588049.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 1 3 340.512 1.214 20 0 EDADHO Cc1nn2c(CNCCOCC[NH+](C)C)c(C(C)C)nc2s1 ZINC000349249524 445546510 /nfs/dbraw/zinc/54/65/10/445546510.db2.gz CYURRSNBQGQDTO-UHFFFAOYSA-N 1 3 325.482 1.890 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000353502889 445632469 /nfs/dbraw/zinc/63/24/69/445632469.db2.gz MQSIPXBORHEYDN-HJWJTTGWSA-N 1 3 348.443 1.617 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000353502889 445632473 /nfs/dbraw/zinc/63/24/73/445632473.db2.gz MQSIPXBORHEYDN-HJWJTTGWSA-N 1 3 348.443 1.617 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000353502889 445632477 /nfs/dbraw/zinc/63/24/77/445632477.db2.gz MQSIPXBORHEYDN-HJWJTTGWSA-N 1 3 348.443 1.617 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349915982 445720678 /nfs/dbraw/zinc/72/06/78/445720678.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349915982 445720683 /nfs/dbraw/zinc/72/06/83/445720683.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO CC(C)OCC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000349900277 445716186 /nfs/dbraw/zinc/71/61/86/445716186.db2.gz XQHLIROCCQVKQS-SFHVURJKSA-N 1 3 341.540 1.512 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000349757019 445668101 /nfs/dbraw/zinc/66/81/01/445668101.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000349757019 445668107 /nfs/dbraw/zinc/66/81/07/445668107.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)c2ccccc2O1 ZINC000361699271 445883698 /nfs/dbraw/zinc/88/36/98/445883698.db2.gz FNRJHAZFKVTTQX-HUUCEWRRSA-N 1 3 329.444 1.732 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CN2CCC1CC2 ZINC000582555915 325873307 /nfs/dbraw/zinc/87/33/07/325873307.db2.gz RWYBSXFKHWNJGV-DLBZAZTESA-N 1 3 337.533 1.757 20 0 EDADHO Cn1cncc1CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000582972966 325972660 /nfs/dbraw/zinc/97/26/60/325972660.db2.gz XLILGVDSYIJSAK-UHFFFAOYSA-N 1 3 333.524 1.702 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000361891672 446045357 /nfs/dbraw/zinc/04/53/57/446045357.db2.gz XYFLCADDQZWFRO-CYBMUJFWSA-N 1 3 341.477 1.165 20 0 EDADHO C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000583203664 326026314 /nfs/dbraw/zinc/02/63/14/326026314.db2.gz QCQWDLJEBARKRG-PILAGYSTSA-N 1 3 331.460 1.677 20 0 EDADHO CC[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000583682520 326117047 /nfs/dbraw/zinc/11/70/47/326117047.db2.gz ZFTNECUENGUHCO-QZTJIDSGSA-N 1 3 330.476 1.875 20 0 EDADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000356874459 446088349 /nfs/dbraw/zinc/08/83/49/446088349.db2.gz QGXNZCRGWPIHEK-OKZBNKHCSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000356874459 446088354 /nfs/dbraw/zinc/08/83/54/446088354.db2.gz QGXNZCRGWPIHEK-OKZBNKHCSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000356874459 446088359 /nfs/dbraw/zinc/08/83/59/446088359.db2.gz QGXNZCRGWPIHEK-OKZBNKHCSA-N 1 3 325.460 1.858 20 0 EDADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407869 446183762 /nfs/dbraw/zinc/18/37/62/446183762.db2.gz KTTGFVAYQFNHCT-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO CCN1CCC[C@@H](Nc2nc(C)nc(N[C@@H]3CCC[N@H+](CC)C3)n2)C1 ZINC000359589549 446307505 /nfs/dbraw/zinc/30/75/05/446307505.db2.gz JRCOXFQPOAGAMY-HZPDHXFCSA-N 1 3 347.511 1.972 20 0 EDADHO CCN1CCC[C@@H](Nc2nc(C)nc(N[C@@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000359589549 446307509 /nfs/dbraw/zinc/30/75/09/446307509.db2.gz JRCOXFQPOAGAMY-HZPDHXFCSA-N 1 3 347.511 1.972 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@H]4CCCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000370503525 446308626 /nfs/dbraw/zinc/30/86/26/446308626.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 1 3 347.507 1.870 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@H]4CCCC[N@H+]4C)C[C@H]3C2)no1 ZINC000370503525 446308629 /nfs/dbraw/zinc/30/86/29/446308629.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 1 3 347.507 1.870 20 0 EDADHO COc1ccc([C@@H]2[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)CCCN2C)cc1 ZINC000365709615 446309916 /nfs/dbraw/zinc/30/99/16/446309916.db2.gz DZUBOXJAOVHALK-HHXXYDBFSA-N 1 3 349.475 1.558 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1SC ZINC000362322205 446319501 /nfs/dbraw/zinc/31/95/01/446319501.db2.gz MCVNYWNBOZEBAD-BYNSBNAKSA-N 1 3 329.510 1.072 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H]1SC ZINC000362322205 446319506 /nfs/dbraw/zinc/31/95/06/446319506.db2.gz MCVNYWNBOZEBAD-BYNSBNAKSA-N 1 3 329.510 1.072 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417369489 446349393 /nfs/dbraw/zinc/34/93/93/446349393.db2.gz SGHWOXHDLMODEB-DOTOQJQBSA-N 1 3 348.491 1.944 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417369913 446349406 /nfs/dbraw/zinc/34/94/06/446349406.db2.gz RYVCPMBZXLLKBZ-CJNGLKHVSA-N 1 3 336.505 1.997 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770652 446429039 /nfs/dbraw/zinc/42/90/39/446429039.db2.gz DVNXHRJWRNHYNK-OLMNPRSZSA-N 1 3 331.460 1.765 20 0 EDADHO O=C1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141169 446438394 /nfs/dbraw/zinc/43/83/94/446438394.db2.gz OIBREEQNXYRTOC-ABFRBSLYSA-N 1 3 347.434 1.678 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789274 446442760 /nfs/dbraw/zinc/44/27/60/446442760.db2.gz WMOUUZOKFHXTHO-SJORKVTESA-N 1 3 333.501 1.814 20 0 EDADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCCN1 ZINC000423170124 446445595 /nfs/dbraw/zinc/44/55/95/446445595.db2.gz LASIUYDVQGHAIN-DLBZAZTESA-N 1 3 325.497 1.378 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175934 446446992 /nfs/dbraw/zinc/44/69/92/446446992.db2.gz GINQIIISYUZSPK-CQSZACIVSA-N 1 3 334.464 1.696 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989595 446408672 /nfs/dbraw/zinc/40/86/72/446408672.db2.gz TYONWTKGYRRYST-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(CC[NH3+])CCO ZINC000418040438 446423105 /nfs/dbraw/zinc/42/31/05/446423105.db2.gz VRSPJSACTJYTBL-KRWDZBQOSA-N 1 3 336.480 1.106 20 0 EDADHO COC(=O)c1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301354 446463103 /nfs/dbraw/zinc/46/31/03/446463103.db2.gz VPADYQHRCXHZJZ-LBPRGKRZSA-N 1 3 339.461 1.130 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420310504 446473705 /nfs/dbraw/zinc/47/37/05/446473705.db2.gz GDAOXECAAZASEF-MSOLQXFVSA-N 1 3 330.476 1.232 20 0 EDADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000367030698 446476457 /nfs/dbraw/zinc/47/64/57/446476457.db2.gz RRNLQSJOQFCYAK-QFBILLFUSA-N 1 3 344.503 1.504 20 0 EDADHO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000367030698 446476464 /nfs/dbraw/zinc/47/64/64/446476464.db2.gz RRNLQSJOQFCYAK-QFBILLFUSA-N 1 3 344.503 1.504 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418284074 446484500 /nfs/dbraw/zinc/48/45/00/446484500.db2.gz ASKNAVDXZYISES-KRWDZBQOSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CCN(C2CC2)C1 ZINC000418328313 446501088 /nfs/dbraw/zinc/50/10/88/446501088.db2.gz NPUDYXACVPUUQN-MRXNPFEDSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@H]21 ZINC000418330047 446501868 /nfs/dbraw/zinc/50/18/68/446501868.db2.gz PGXAXLCDJMZHOR-ZWKOTPCHSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@H]21 ZINC000418330047 446501877 /nfs/dbraw/zinc/50/18/77/446501877.db2.gz PGXAXLCDJMZHOR-ZWKOTPCHSA-N 1 3 345.491 1.687 20 0 EDADHO Cc1cccc2nc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)n12 ZINC000420335601 446505830 /nfs/dbraw/zinc/50/58/30/446505830.db2.gz KOKPBESIKWRNEF-QGZVFWFLSA-N 1 3 326.444 1.967 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418359042 446514096 /nfs/dbraw/zinc/51/40/96/446514096.db2.gz RXPWBAYSBCOAAX-IRXDYDNUSA-N 1 3 334.464 1.569 20 0 EDADHO CC[NH+]1CCC(NC(=O)CNC(CC)(CC)CC(=O)OC)CC1 ZINC000411390498 446514883 /nfs/dbraw/zinc/51/48/83/446514883.db2.gz NIKWVQDVTYIECQ-UHFFFAOYSA-N 1 3 327.469 1.298 20 0 EDADHO CN(CCN1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1)Cc1ccccc1 ZINC000423394389 446515191 /nfs/dbraw/zinc/51/51/91/446515191.db2.gz ZOTSOWJGPXUGOX-QUCCMNQESA-N 1 3 342.487 1.015 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418476795 446558087 /nfs/dbraw/zinc/55/80/87/446558087.db2.gz XJWCPPIRVVEVRT-HOTGVXAUSA-N 1 3 339.528 1.314 20 0 EDADHO O=C(NCC1C[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418480657 446559606 /nfs/dbraw/zinc/55/96/06/446559606.db2.gz CCAWHOZSRPLGBA-MSOLQXFVSA-N 1 3 328.460 1.369 20 0 EDADHO CN(C)CCn1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000433348644 446559659 /nfs/dbraw/zinc/55/96/59/446559659.db2.gz WLLBWNSHDCQSBF-MRXNPFEDSA-N 1 3 329.448 2.076 20 0 EDADHO CCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420369738 446549434 /nfs/dbraw/zinc/54/94/34/446549434.db2.gz CAAIXKWUWSHSKF-MRXNPFEDSA-N 1 3 345.447 1.851 20 0 EDADHO CCOc1ccc(OCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000420369738 446549438 /nfs/dbraw/zinc/54/94/38/446549438.db2.gz CAAIXKWUWSHSKF-MRXNPFEDSA-N 1 3 345.447 1.851 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000423473392 446550619 /nfs/dbraw/zinc/55/06/19/446550619.db2.gz YFECCFTZNWXQSC-BWDFJHHZSA-N 1 3 335.492 1.652 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC000433450340 446574447 /nfs/dbraw/zinc/57/44/47/446574447.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC000433450340 446574455 /nfs/dbraw/zinc/57/44/55/446574455.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524464 446582504 /nfs/dbraw/zinc/58/25/04/446582504.db2.gz AWDCXEYBBZJVIU-KBPBESRZSA-N 1 3 327.469 1.153 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658142 446637542 /nfs/dbraw/zinc/63/75/42/446637542.db2.gz JCSBGXCWBJRSDI-GCDKYVQMSA-N 1 3 334.508 1.746 20 0 EDADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000434351847 446637862 /nfs/dbraw/zinc/63/78/62/446637862.db2.gz LTKCMVDMYPXSPE-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000434351849 446637971 /nfs/dbraw/zinc/63/79/71/446637971.db2.gz LTKCMVDMYPXSPE-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418684651 446646689 /nfs/dbraw/zinc/64/66/89/446646689.db2.gz LKEAAQHPVCQIJO-OKZBNKHCSA-N 1 3 330.476 1.868 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418737680 446661177 /nfs/dbraw/zinc/66/11/77/446661177.db2.gz YKZPPQVZEAUIGA-OAGGEKHMSA-N 1 3 326.485 1.256 20 0 EDADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418757337 446677531 /nfs/dbraw/zinc/67/75/31/446677531.db2.gz YYLZAYMBLNYSKD-AWEZNQCLSA-N 1 3 326.391 1.544 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375257259 446674000 /nfs/dbraw/zinc/67/40/00/446674000.db2.gz XOQOOUGXGQNPOJ-UYAOXDASSA-N 1 3 343.471 1.829 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418633316 446625423 /nfs/dbraw/zinc/62/54/23/446625423.db2.gz DDEGLKIMROWEBS-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO COCC1(CNC(=O)N(C)CC2(N(C)C)CCC2)CC[NH2+]CC1 ZINC000418636417 446626793 /nfs/dbraw/zinc/62/67/93/446626793.db2.gz HCTVBJKVRMJISZ-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418803095 446711776 /nfs/dbraw/zinc/71/17/76/446711776.db2.gz YPBKFNBTDCGBOT-UNEWFSDZSA-N 1 3 334.464 1.725 20 0 EDADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418815495 446720701 /nfs/dbraw/zinc/72/07/01/446720701.db2.gz KOCMMYYSXJSJND-IBGZPJMESA-N 1 3 346.475 1.011 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423753731 446684337 /nfs/dbraw/zinc/68/43/37/446684337.db2.gz XTUUVHBIADWXEX-HZPDHXFCSA-N 1 3 339.480 1.395 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419020136 446869489 /nfs/dbraw/zinc/86/94/89/446869489.db2.gz RKMVRDFLTQFQCH-OAHLLOKOSA-N 1 3 346.475 1.142 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419017483 446869810 /nfs/dbraw/zinc/86/98/10/446869810.db2.gz AWDRYFYOKYVJIA-XUWVNRHRSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029290 446875582 /nfs/dbraw/zinc/87/55/82/446875582.db2.gz RLUFQZLSAOMTHE-HUUCEWRRSA-N 1 3 338.496 1.001 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2C[C@@H](O)C2)CC1 ZINC000420941772 446913338 /nfs/dbraw/zinc/91/33/38/446913338.db2.gz UGNHJMNJVOFPTA-CALCHBBNSA-N 1 3 333.476 1.520 20 0 EDADHO CSCCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000375645710 446947882 /nfs/dbraw/zinc/94/78/82/446947882.db2.gz VJYKVZUBTMSRGR-UHFFFAOYSA-N 1 3 342.553 1.940 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983377 446959146 /nfs/dbraw/zinc/95/91/46/446959146.db2.gz QXCRWHVFLLMVTR-HNNXBMFYSA-N 1 3 337.430 1.792 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983377 446959149 /nfs/dbraw/zinc/95/91/49/446959149.db2.gz QXCRWHVFLLMVTR-HNNXBMFYSA-N 1 3 337.430 1.792 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983377 446959156 /nfs/dbraw/zinc/95/91/56/446959156.db2.gz QXCRWHVFLLMVTR-HNNXBMFYSA-N 1 3 337.430 1.792 20 0 EDADHO CCCCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420986091 446962982 /nfs/dbraw/zinc/96/29/82/446962982.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CCCCNC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420986091 446962989 /nfs/dbraw/zinc/96/29/89/446962989.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCOC(C)(C)C1 ZINC000372065130 446984383 /nfs/dbraw/zinc/98/43/83/446984383.db2.gz NKEPPEGEWXLKLA-SQNIBIBYSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCN1CCOC(C)(C)C1 ZINC000372065130 446984388 /nfs/dbraw/zinc/98/43/88/446984388.db2.gz NKEPPEGEWXLKLA-SQNIBIBYSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@H]1CSCCN1 ZINC000372095347 446998863 /nfs/dbraw/zinc/99/88/63/446998863.db2.gz MXNWMIQGXQWTIB-UGUYLWEFSA-N 1 3 341.521 1.087 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@H]1CSCCN1 ZINC000372095347 446998868 /nfs/dbraw/zinc/99/88/68/446998868.db2.gz MXNWMIQGXQWTIB-UGUYLWEFSA-N 1 3 341.521 1.087 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059072 446999807 /nfs/dbraw/zinc/99/98/07/446999807.db2.gz LXVNYGDMADEDRX-DLBZAZTESA-N 1 3 333.476 1.939 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059587 447001642 /nfs/dbraw/zinc/00/16/42/447001642.db2.gz NENVVAGZVAURQU-CABCVRRESA-N 1 3 349.475 1.769 20 0 EDADHO COc1cccc(OC)c1CN[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375785892 447045760 /nfs/dbraw/zinc/04/57/60/447045760.db2.gz LOXFQICDWLUACN-HNNXBMFYSA-N 1 3 333.476 1.962 20 0 EDADHO COc1cccc(OC)c1CN[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375785892 447045766 /nfs/dbraw/zinc/04/57/66/447045766.db2.gz LOXFQICDWLUACN-HNNXBMFYSA-N 1 3 333.476 1.962 20 0 EDADHO COc1cccc(OC)c1CN[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375785892 447045772 /nfs/dbraw/zinc/04/57/72/447045772.db2.gz LOXFQICDWLUACN-HNNXBMFYSA-N 1 3 333.476 1.962 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712120 447060444 /nfs/dbraw/zinc/06/04/44/447060444.db2.gz KIJUZYOEGZHCHZ-CQSZACIVSA-N 1 3 326.404 1.101 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000421301104 447114430 /nfs/dbraw/zinc/11/44/30/447114430.db2.gz PNFBDVMBOJDRKT-QGZVFWFLSA-N 1 3 346.475 1.282 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444180958 447090857 /nfs/dbraw/zinc/09/08/57/447090857.db2.gz HQFCBBGJTBYGGZ-AZUAARDMSA-N 1 3 343.471 1.777 20 0 EDADHO Cc1c(Cl)c(CNCC2CC[NH+](CCN(C)C)CC2)nn1C ZINC000421322991 447130701 /nfs/dbraw/zinc/13/07/01/447130701.db2.gz HMZDLABVHDTDQH-UHFFFAOYSA-N 1 3 327.904 1.745 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000375973089 447185781 /nfs/dbraw/zinc/18/57/81/447185781.db2.gz HIIAKIFBUFSXKW-VYDXJSESSA-N 1 3 333.480 1.485 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455655303 447197819 /nfs/dbraw/zinc/19/78/19/447197819.db2.gz ISBKLLOPYGAAAZ-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000447594954 447280409 /nfs/dbraw/zinc/28/04/09/447280409.db2.gz JUEUTJQLZRIWJP-MJGOQNOKSA-N 1 3 335.492 1.616 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000422326696 447478898 /nfs/dbraw/zinc/47/88/98/447478898.db2.gz NWXDICJFWKRHHC-HUUCEWRRSA-N 1 3 340.512 1.022 20 0 EDADHO C[C@@H](O)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000450466002 447499523 /nfs/dbraw/zinc/49/95/23/447499523.db2.gz FIXREZASPUIZPU-QGZVFWFLSA-N 1 3 347.503 1.718 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390879762 447504290 /nfs/dbraw/zinc/50/42/90/447504290.db2.gz USYMPXNGLKOTCK-JQHSSLGASA-N 1 3 333.476 1.767 20 0 EDADHO CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC1CC[NH+](C)CC1 ZINC000394395375 447536510 /nfs/dbraw/zinc/53/65/10/447536510.db2.gz AHTOAOLMZSKXMM-HNNXBMFYSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnccc1C ZINC000459015624 447540346 /nfs/dbraw/zinc/54/03/46/447540346.db2.gz GNNFCVSUTWRFRE-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cnccc1C ZINC000459015624 447540351 /nfs/dbraw/zinc/54/03/51/447540351.db2.gz GNNFCVSUTWRFRE-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000427269400 447572420 /nfs/dbraw/zinc/57/24/20/447572420.db2.gz JOUWAKSLBJRNEW-SFHVURJKSA-N 1 3 344.503 1.705 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420117116 447612459 /nfs/dbraw/zinc/61/24/59/447612459.db2.gz HOHMRYXQWMZLPN-HNNXBMFYSA-N 1 3 346.475 1.265 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000420128734 447621119 /nfs/dbraw/zinc/62/11/19/447621119.db2.gz QBIRGKXMOXGEKP-CQSZACIVSA-N 1 3 340.512 1.070 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CC2)N2CCCC2)cc1 ZINC000416814112 447691389 /nfs/dbraw/zinc/69/13/89/447691389.db2.gz FONHGKUASBSPBA-MSOLQXFVSA-N 1 3 346.475 1.869 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)[NH+]1CCC(C)CC1 ZINC000458053526 447710170 /nfs/dbraw/zinc/71/01/70/447710170.db2.gz SKWPIPIURSKFCZ-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428876112 447719307 /nfs/dbraw/zinc/71/93/07/447719307.db2.gz YRFHIPSSLBEVNM-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO CC[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417022653 447731398 /nfs/dbraw/zinc/73/13/98/447731398.db2.gz VLJCPAPXXSALQF-MAUKXSAKSA-N 1 3 330.476 1.732 20 0 EDADHO CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)NC(=O)OC(C)(C)C ZINC000496177605 447733481 /nfs/dbraw/zinc/73/34/81/447733481.db2.gz IKGYKGBDHPFVLX-KBPBESRZSA-N 1 3 341.500 1.888 20 0 EDADHO C[C@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496229741 447745943 /nfs/dbraw/zinc/74/59/43/447745943.db2.gz SJENWJGWULAIIM-HZPDHXFCSA-N 1 3 343.512 1.926 20 0 EDADHO C[C@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CN1CCCCC1 ZINC000496229741 447745945 /nfs/dbraw/zinc/74/59/45/447745945.db2.gz SJENWJGWULAIIM-HZPDHXFCSA-N 1 3 343.512 1.926 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803012 447754513 /nfs/dbraw/zinc/75/45/13/447754513.db2.gz CGBRVQLLDNBPIG-VQIMIIECSA-N 1 3 334.483 1.925 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000422986774 447788396 /nfs/dbraw/zinc/78/83/96/447788396.db2.gz HHTNZONYMBDFQW-SZMVWBNQSA-N 1 3 325.460 1.994 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000431020317 447789213 /nfs/dbraw/zinc/78/92/13/447789213.db2.gz YUGGSFSFTAYCEN-UHFFFAOYSA-N 1 3 332.492 1.425 20 0 EDADHO CN(CC[NH2+][C@H]1CCCCC[C@@H]1N)S(=O)(=O)c1cccs1 ZINC000422998408 447789673 /nfs/dbraw/zinc/78/96/73/447789673.db2.gz QHYNTSQNGJFVHW-STQMWFEESA-N 1 3 331.507 1.618 20 0 EDADHO COc1cccc(COCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423000640 447790387 /nfs/dbraw/zinc/79/03/87/447790387.db2.gz GZYBZDLXNQDJRC-IPMKNSEASA-N 1 3 334.460 1.959 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)NCCN2CCCCC2)CCCO1 ZINC000431202815 447793179 /nfs/dbraw/zinc/79/31/79/447793179.db2.gz LDMZTXRFNREEQN-INIZCTEOSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)NCCN2CCCCC2)CCCO1 ZINC000431202815 447793182 /nfs/dbraw/zinc/79/31/82/447793182.db2.gz LDMZTXRFNREEQN-INIZCTEOSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000423077146 447800209 /nfs/dbraw/zinc/80/02/09/447800209.db2.gz SQHNXXUMRACNQK-CRAIPNDOSA-N 1 3 325.460 1.994 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000487404778 447831776 /nfs/dbraw/zinc/83/17/76/447831776.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 1 3 345.487 1.280 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000487404778 447831777 /nfs/dbraw/zinc/83/17/77/447831777.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 1 3 345.487 1.280 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663973 447844017 /nfs/dbraw/zinc/84/40/17/447844017.db2.gz YBIWNVWURWFVBI-WMLDXEAASA-N 1 3 329.485 1.536 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663973 447844018 /nfs/dbraw/zinc/84/40/18/447844018.db2.gz YBIWNVWURWFVBI-WMLDXEAASA-N 1 3 329.485 1.536 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747636 447878233 /nfs/dbraw/zinc/87/82/33/447878233.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 1 3 341.496 1.773 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747636 447878238 /nfs/dbraw/zinc/87/82/38/447878238.db2.gz FSSNGJZVYRZSFC-INIZCTEOSA-N 1 3 341.496 1.773 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)n(C2CCN(C)CC2)n1 ZINC000575774591 447896341 /nfs/dbraw/zinc/89/63/41/447896341.db2.gz HBQLKIGFOGESMY-CQSZACIVSA-N 1 3 334.468 1.720 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H](O)CC(F)(F)F)(N2CCCCC2)CC1 ZINC000575981471 447941646 /nfs/dbraw/zinc/94/16/46/447941646.db2.gz NSJCJPHUSVGFMW-AWEZNQCLSA-N 1 3 337.430 1.840 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000530702470 447942825 /nfs/dbraw/zinc/94/28/25/447942825.db2.gz NOVOCPZGGPJFDR-JFIYKMOQSA-N 1 3 337.508 1.676 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000530702470 447942831 /nfs/dbraw/zinc/94/28/31/447942831.db2.gz NOVOCPZGGPJFDR-JFIYKMOQSA-N 1 3 337.508 1.676 20 0 EDADHO CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955649 /nfs/dbraw/zinc/95/56/49/447955649.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 1 3 348.466 1.139 20 0 EDADHO C[NH+]1CCC(CCNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530571284 447917302 /nfs/dbraw/zinc/91/73/02/447917302.db2.gz FIFCFQLBWGKTRD-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO CCN(C)C(=O)c1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000530641283 447932490 /nfs/dbraw/zinc/93/24/90/447932490.db2.gz WCCWZXPIPVSLQT-UHFFFAOYSA-N 1 3 348.491 1.344 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000570322533 447985852 /nfs/dbraw/zinc/98/58/52/447985852.db2.gz JQPAIARCVOHXPZ-HLIPFELVSA-N 1 3 349.519 1.698 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000570322533 447985856 /nfs/dbraw/zinc/98/58/56/447985856.db2.gz JQPAIARCVOHXPZ-HLIPFELVSA-N 1 3 349.519 1.698 20 0 EDADHO C[C@@H]1CC2(CN1CCN1C(=O)c3ccccc3C1=O)CC[NH2+]CC2 ZINC000576338237 448030933 /nfs/dbraw/zinc/03/09/33/448030933.db2.gz MACHLFIUBLNJGU-CQSZACIVSA-N 1 3 327.428 1.747 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000531357669 448069114 /nfs/dbraw/zinc/06/91/14/448069114.db2.gz UAPNSZLQUGHLFY-ICSRJNTNSA-N 1 3 329.488 1.842 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000576513766 448072828 /nfs/dbraw/zinc/07/28/28/448072828.db2.gz FBGYEPXPPJSDSH-UHFFFAOYSA-N 1 3 344.503 1.569 20 0 EDADHO CC[C@H](C)n1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000526169831 448109829 /nfs/dbraw/zinc/10/98/29/448109829.db2.gz GSUHJNWXGYNBBU-AWEZNQCLSA-N 1 3 338.500 2.120 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000502745427 448103426 /nfs/dbraw/zinc/10/34/26/448103426.db2.gz YHIZTSMMQYLKMR-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571059475 448103629 /nfs/dbraw/zinc/10/36/29/448103629.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 1 3 339.528 1.171 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000571059475 448103631 /nfs/dbraw/zinc/10/36/31/448103631.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 1 3 339.528 1.171 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844768 448154089 /nfs/dbraw/zinc/15/40/89/448154089.db2.gz FHVYXOHCQQPZPY-MRXNPFEDSA-N 1 3 338.415 1.828 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844768 448154097 /nfs/dbraw/zinc/15/40/97/448154097.db2.gz FHVYXOHCQQPZPY-MRXNPFEDSA-N 1 3 338.415 1.828 20 0 EDADHO CN1CCN(CCCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531684977 448128714 /nfs/dbraw/zinc/12/87/14/448128714.db2.gz CCHDMSPJZAMTGV-UHFFFAOYSA-N 1 3 332.496 1.063 20 0 EDADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000556926207 448172224 /nfs/dbraw/zinc/17/22/24/448172224.db2.gz KNBOPHLTCOAYBY-HNNXBMFYSA-N 1 3 346.475 1.363 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000571817930 448211377 /nfs/dbraw/zinc/21/13/77/448211377.db2.gz CPOIROJPRGELHD-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000571817930 448211382 /nfs/dbraw/zinc/21/13/82/448211382.db2.gz CPOIROJPRGELHD-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CC[NH2+]C2)CN1Cc1ccccc1 ZINC000577047144 448199300 /nfs/dbraw/zinc/19/93/00/448199300.db2.gz BFLXLHDSXYITKX-JFIYKMOQSA-N 1 3 330.476 1.948 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532214833 448216017 /nfs/dbraw/zinc/21/60/17/448216017.db2.gz PXJBYGPYDDUMFF-UHFFFAOYSA-N 1 3 332.496 1.063 20 0 EDADHO CC[NH+]1CCC(CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000562336935 448247855 /nfs/dbraw/zinc/24/78/55/448247855.db2.gz AJSRYEDFEPTQGA-UHFFFAOYSA-N 1 3 348.495 2.003 20 0 EDADHO CNc1ccc(Cl)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000577485986 448309738 /nfs/dbraw/zinc/30/97/38/448309738.db2.gz VEHSIQPKSBHVHU-UHFFFAOYSA-N 1 3 326.872 1.947 20 0 EDADHO C[NH+](C)CCCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000591538859 448384510 /nfs/dbraw/zinc/38/45/10/448384510.db2.gz NIZLHQYWLUKIAC-UHFFFAOYSA-N 1 3 348.491 1.394 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869601 448487053 /nfs/dbraw/zinc/48/70/53/448487053.db2.gz LVBDMINRBQOAJC-IBGZPJMESA-N 1 3 330.476 1.905 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000566618876 448521270 /nfs/dbraw/zinc/52/12/70/448521270.db2.gz MIKCAOGRLVJPRD-MRXNPFEDSA-N 1 3 342.447 1.022 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000566629701 448525573 /nfs/dbraw/zinc/52/55/73/448525573.db2.gz VZUFFHGPBAHEJM-QGZVFWFLSA-N 1 3 346.519 1.547 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000567042779 448602704 /nfs/dbraw/zinc/60/27/04/448602704.db2.gz VZKWYNMMFBPBNH-GOSISDBHSA-N 1 3 327.513 1.168 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000573578148 448664198 /nfs/dbraw/zinc/66/41/98/448664198.db2.gz HNVJRYKEHISBGB-IRXDYDNUSA-N 1 3 339.505 1.874 20 0 EDADHO CCC[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567500700 448704110 /nfs/dbraw/zinc/70/41/10/448704110.db2.gz FDEFWSUGDALQCD-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO CCC[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500700 448704116 /nfs/dbraw/zinc/70/41/16/448704116.db2.gz FDEFWSUGDALQCD-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO CCN(C)C[C@@H](O)C[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000567624516 448726590 /nfs/dbraw/zinc/72/65/90/448726590.db2.gz REJKRMUCIGCFQE-GOSISDBHSA-N 1 3 327.513 1.123 20 0 EDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000567624516 448726595 /nfs/dbraw/zinc/72/65/95/448726595.db2.gz REJKRMUCIGCFQE-GOSISDBHSA-N 1 3 327.513 1.123 20 0 EDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(CCCN2CCOCC2)CC1 ZINC000567624516 448726599 /nfs/dbraw/zinc/72/65/99/448726599.db2.gz REJKRMUCIGCFQE-GOSISDBHSA-N 1 3 327.513 1.123 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000573850332 448729325 /nfs/dbraw/zinc/72/93/25/448729325.db2.gz HCPKRCORXJZVSJ-SOUVJXGZSA-N 1 3 330.432 1.060 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000567779368 448759713 /nfs/dbraw/zinc/75/97/13/448759713.db2.gz MWNDGXQRKVKDEJ-CRAIPNDOSA-N 1 3 330.476 1.048 20 0 EDADHO CNC(=O)c1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000568728271 448909096 /nfs/dbraw/zinc/90/90/96/448909096.db2.gz JZEQUUNXMNGXER-ZWKOTPCHSA-N 1 3 331.460 1.765 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956853 449078534 /nfs/dbraw/zinc/07/85/34/449078534.db2.gz ZZQBHNWZYIXIGD-WBVHZDCISA-N 1 3 341.459 1.752 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000590860009 449324795 /nfs/dbraw/zinc/32/47/95/449324795.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 1 3 344.503 1.944 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000590860009 449324798 /nfs/dbraw/zinc/32/47/98/449324798.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 1 3 344.503 1.944 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)CC1 ZINC000595949497 449275936 /nfs/dbraw/zinc/27/59/36/449275936.db2.gz WCTCLLVUIOZMDO-KRWDZBQOSA-N 1 3 334.508 1.288 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1SC ZINC000590956643 449359342 /nfs/dbraw/zinc/35/93/42/449359342.db2.gz SZGUVPZESRUYGG-LLLHUVSDSA-N 1 3 327.538 1.654 20 0 EDADHO C[NH+](C)C1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000605401530 449374178 /nfs/dbraw/zinc/37/41/78/449374178.db2.gz ZJMNARAWLFSGBY-IBGZPJMESA-N 1 3 331.460 1.176 20 0 EDADHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000594606047 449592554 /nfs/dbraw/zinc/59/25/54/449592554.db2.gz APIOJLIIZGHDAP-UHFFFAOYSA-N 1 3 327.856 1.914 20 0 EDADHO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504711 449649739 /nfs/dbraw/zinc/64/97/39/449649739.db2.gz GVPVLGLISWCGNY-UONOGXRCSA-N 1 3 337.512 1.529 20 0 EDADHO Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504711 449649746 /nfs/dbraw/zinc/64/97/46/449649746.db2.gz GVPVLGLISWCGNY-UONOGXRCSA-N 1 3 337.512 1.529 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000617505498 449652816 /nfs/dbraw/zinc/65/28/16/449652816.db2.gz FIRIJMONLXSNKT-IKGGRYGDSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000617505498 449652821 /nfs/dbraw/zinc/65/28/21/449652821.db2.gz FIRIJMONLXSNKT-IKGGRYGDSA-N 1 3 327.513 1.970 20 0 EDADHO Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)s1 ZINC000617506688 449657204 /nfs/dbraw/zinc/65/72/04/449657204.db2.gz WGCAFQFMMRGRTJ-LBPRGKRZSA-N 1 3 326.510 1.691 20 0 EDADHO Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)s1 ZINC000617506688 449657207 /nfs/dbraw/zinc/65/72/07/449657207.db2.gz WGCAFQFMMRGRTJ-LBPRGKRZSA-N 1 3 326.510 1.691 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(OC(F)F)c1 ZINC000617508152 449659823 /nfs/dbraw/zinc/65/98/23/449659823.db2.gz UYBNQWKIYDKIBC-LBPRGKRZSA-N 1 3 344.406 1.685 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(OC(F)F)c1 ZINC000617508152 449659829 /nfs/dbraw/zinc/65/98/29/449659829.db2.gz UYBNQWKIYDKIBC-LBPRGKRZSA-N 1 3 344.406 1.685 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602538277 449660828 /nfs/dbraw/zinc/66/08/28/449660828.db2.gz BWFLWNKZZLTYML-AWEZNQCLSA-N 1 3 339.505 1.898 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612481688 449730882 /nfs/dbraw/zinc/73/08/82/449730882.db2.gz DVTMETVGWBGHDM-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597050259 449785814 /nfs/dbraw/zinc/78/58/14/449785814.db2.gz LGHWRQRRVNJJKX-AWEZNQCLSA-N 1 3 337.439 1.728 20 0 EDADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)no1 ZINC000608315797 449805276 /nfs/dbraw/zinc/80/52/76/449805276.db2.gz UHCGRBJZUCWBNE-AWEZNQCLSA-N 1 3 337.468 2.117 20 0 EDADHO CCc1cc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)no1 ZINC000608315797 449805280 /nfs/dbraw/zinc/80/52/80/449805280.db2.gz UHCGRBJZUCWBNE-AWEZNQCLSA-N 1 3 337.468 2.117 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601307110 449816688 /nfs/dbraw/zinc/81/66/88/449816688.db2.gz QGMPIVOKHJZRFA-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H](C)[NH+](C)C)CC2)c1 ZINC000617753483 449817649 /nfs/dbraw/zinc/81/76/49/449817649.db2.gz DKXIHDLMVAGYSM-GOSISDBHSA-N 1 3 346.519 1.964 20 0 EDADHO CN(C)C[C@@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000614852131 449846569 /nfs/dbraw/zinc/84/65/69/449846569.db2.gz OKAITSYNIQGYSU-KRWDZBQOSA-N 1 3 333.476 1.327 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000608709076 449917174 /nfs/dbraw/zinc/91/71/74/449917174.db2.gz KKUVOFSVFIEFMJ-IAGOWNOFSA-N 1 3 339.528 1.042 20 0 EDADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928858 449924215 /nfs/dbraw/zinc/92/42/15/449924215.db2.gz XQQQYVYILHALJF-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928858 449924220 /nfs/dbraw/zinc/92/42/20/449924220.db2.gz XQQQYVYILHALJF-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612961857 449957594 /nfs/dbraw/zinc/95/75/94/449957594.db2.gz CLNITQHRXHWTBJ-QGZVFWFLSA-N 1 3 346.475 1.568 20 0 EDADHO CC[NH+](CC)CC1CCN([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595291034 450006956 /nfs/dbraw/zinc/00/69/56/450006956.db2.gz PTTNMHZBLOBSEI-MRXNPFEDSA-N 1 3 339.480 1.204 20 0 EDADHO COC(=O)C[C@]1(NCc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000613334416 450138090 /nfs/dbraw/zinc/13/80/90/450138090.db2.gz HAGIVVKDYGHQSC-GOSISDBHSA-N 1 3 336.432 1.439 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000603354273 450260170 /nfs/dbraw/zinc/26/01/70/450260170.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000603354273 450260174 /nfs/dbraw/zinc/26/01/74/450260174.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 1 3 330.476 1.846 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503860 /nfs/dbraw/zinc/50/38/60/450503860.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 1 3 331.504 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503862 /nfs/dbraw/zinc/50/38/62/450503862.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 1 3 331.504 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503863 /nfs/dbraw/zinc/50/38/63/450503863.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 1 3 331.504 1.868 20 0 EDADHO C[N@@H+]1CC[C@@H](NC[C@@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000623372216 450507942 /nfs/dbraw/zinc/50/79/42/450507942.db2.gz KJRMNYXGQVLSLX-WBVHZDCISA-N 1 3 327.538 1.657 20 0 EDADHO C[N@H+]1CC[C@@H](NC[C@@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000623372216 450507946 /nfs/dbraw/zinc/50/79/46/450507946.db2.gz KJRMNYXGQVLSLX-WBVHZDCISA-N 1 3 327.538 1.657 20 0 EDADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000620748045 450538649 /nfs/dbraw/zinc/53/86/49/450538649.db2.gz WYUOZJPZNASEOV-GEEKYZPCSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)[C@H]1C)N(C)C ZINC000620748045 450538651 /nfs/dbraw/zinc/53/86/51/450538651.db2.gz WYUOZJPZNASEOV-GEEKYZPCSA-N 1 3 340.512 1.115 20 0 EDADHO CN(C)CCn1c2cc(NC[C@@H](O)C[NH+]3CCCC3)ccc2oc1=O ZINC000629582531 450748804 /nfs/dbraw/zinc/74/88/04/450748804.db2.gz TZRLNSZCJFZXQC-OAHLLOKOSA-N 1 3 348.447 1.025 20 0 EDADHO CN(CCOCC[NH3+])Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629665954 450774216 /nfs/dbraw/zinc/77/42/16/450774216.db2.gz YWDAVNRFDHYOSP-UHFFFAOYSA-N 1 3 332.404 1.255 20 0 EDADHO Cn1c2cc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829109 450800575 /nfs/dbraw/zinc/80/05/75/450800575.db2.gz HATXXZPGBYQTBM-IIDMSEBBSA-N 1 3 345.443 1.992 20 0 EDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830081 450802525 /nfs/dbraw/zinc/80/25/25/450802525.db2.gz IXOVCWBMPFYEBU-JYJNAYRXSA-N 1 3 333.480 1.424 20 0 EDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830081 450802529 /nfs/dbraw/zinc/80/25/29/450802529.db2.gz IXOVCWBMPFYEBU-JYJNAYRXSA-N 1 3 333.480 1.424 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000631943025 450900087 /nfs/dbraw/zinc/90/00/87/450900087.db2.gz LFHCMYPGGNRJAD-JKSUJKDBSA-N 1 3 329.510 1.409 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930155 /nfs/dbraw/zinc/93/01/55/450930155.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 1 3 331.460 1.354 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930162 /nfs/dbraw/zinc/93/01/62/450930162.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 1 3 331.460 1.354 20 0 EDADHO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)C1CCC1 ZINC000629983037 450933241 /nfs/dbraw/zinc/93/32/41/450933241.db2.gz NRXYFGMCKRLBFM-HXUWFJFHSA-N 1 3 345.487 1.566 20 0 EDADHO CN(CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450936016 /nfs/dbraw/zinc/93/60/16/450936016.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 1 3 345.487 1.878 20 0 EDADHO CN(CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450936021 /nfs/dbraw/zinc/93/60/21/450936021.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 1 3 345.487 1.878 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000626854979 450962219 /nfs/dbraw/zinc/96/22/19/450962219.db2.gz PMNXPDMTXBACQY-UHFFFAOYSA-N 1 3 346.475 1.664 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1CN(C)C ZINC000626892884 450989487 /nfs/dbraw/zinc/98/94/87/450989487.db2.gz IXLUXUDMKHGKCY-BBRMVZONSA-N 1 3 332.448 1.252 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000626930472 451013517 /nfs/dbraw/zinc/01/35/17/451013517.db2.gz APEATYQZIMWCGW-UHFFFAOYSA-N 1 3 348.491 1.229 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000626984775 451051864 /nfs/dbraw/zinc/05/18/64/451051864.db2.gz KSYIWOIPCHNYQG-KRWDZBQOSA-N 1 3 342.487 1.669 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635559007 451055306 /nfs/dbraw/zinc/05/53/06/451055306.db2.gz OUVBGYAUBIEPKN-GOSISDBHSA-N 1 3 336.524 1.393 20 0 EDADHO [NH3+]C1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000627009437 451073798 /nfs/dbraw/zinc/07/37/98/451073798.db2.gz QUWDKCRIIXLCGP-UHFFFAOYSA-N 1 3 347.463 1.105 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000627012413 451076730 /nfs/dbraw/zinc/07/67/30/451076730.db2.gz AFPMQOXNMNGKGZ-DOTOQJQBSA-N 1 3 334.464 1.042 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211858 451188768 /nfs/dbraw/zinc/18/87/68/451188768.db2.gz PYWWMQDHNYMZML-UHFFFAOYSA-N 1 3 348.491 1.578 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000638098701 451264024 /nfs/dbraw/zinc/26/40/24/451264024.db2.gz DJENTDAZZIVPNX-KRWDZBQOSA-N 1 3 332.492 1.261 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000638099531 451265435 /nfs/dbraw/zinc/26/54/35/451265435.db2.gz HESJAYSZGHPFNT-AZUAARDMSA-N 1 3 345.487 1.876 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638102551 451269459 /nfs/dbraw/zinc/26/94/59/451269459.db2.gz IWWUKXKCCZOJGN-LJQANCHMSA-N 1 3 349.475 1.041 20 0 EDADHO COCCNCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640337352 451269600 /nfs/dbraw/zinc/26/96/00/451269600.db2.gz AKPXGJIKGLNMPL-UHFFFAOYSA-N 1 3 340.512 1.520 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638103479 451270293 /nfs/dbraw/zinc/27/02/93/451270293.db2.gz OTBSNQPJGLJTHA-POAQFYNOSA-N 1 3 345.487 1.911 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCN1 ZINC000638309796 451423923 /nfs/dbraw/zinc/42/39/23/451423923.db2.gz NNGUWJXVZJODFQ-WDYCEAGBSA-N 1 3 335.492 1.620 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCN1 ZINC000638309796 451423928 /nfs/dbraw/zinc/42/39/28/451423928.db2.gz NNGUWJXVZJODFQ-WDYCEAGBSA-N 1 3 335.492 1.620 20 0 EDADHO O[C@]1(CN2CCN(CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642532 451435875 /nfs/dbraw/zinc/43/58/75/451435875.db2.gz LPRLLOXXXIGZQQ-FQEVSTJZSA-N 1 3 329.488 1.651 20 0 EDADHO O[C@]1(CN2CCN(CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642532 451435881 /nfs/dbraw/zinc/43/58/81/451435881.db2.gz LPRLLOXXXIGZQQ-FQEVSTJZSA-N 1 3 329.488 1.651 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638337787 451441940 /nfs/dbraw/zinc/44/19/40/451441940.db2.gz JZQDUQKFAAJFLC-GBESFXJTSA-N 1 3 343.471 1.249 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638337787 451441945 /nfs/dbraw/zinc/44/19/45/451441945.db2.gz JZQDUQKFAAJFLC-GBESFXJTSA-N 1 3 343.471 1.249 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638415791 451500578 /nfs/dbraw/zinc/50/05/78/451500578.db2.gz LPHQFKUPGGWMJZ-ICSRJNTNSA-N 1 3 345.487 1.517 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000638458479 451525882 /nfs/dbraw/zinc/52/58/82/451525882.db2.gz DOERNFQMGNELFC-NVXWUHKLSA-N 1 3 336.524 1.582 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1sc2ncccc2c1N ZINC000636162387 451556707 /nfs/dbraw/zinc/55/67/07/451556707.db2.gz ZEAIJICWGBCEKV-LBPRGKRZSA-N 1 3 349.504 1.880 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1sc2ncccc2c1N ZINC000636162387 451556709 /nfs/dbraw/zinc/55/67/09/451556709.db2.gz ZEAIJICWGBCEKV-LBPRGKRZSA-N 1 3 349.504 1.880 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccccc3F)CC2)C1 ZINC000634999035 451641331 /nfs/dbraw/zinc/64/13/31/451641331.db2.gz PBGIQCINGWMDNU-OAHLLOKOSA-N 1 3 349.450 1.866 20 0 EDADHO CCN1CCC(NC(=O)Cn2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000640867520 451654227 /nfs/dbraw/zinc/65/42/27/451654227.db2.gz SKIKLDCGJQDJSH-UHFFFAOYSA-N 1 3 342.447 1.004 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000636988072 451663635 /nfs/dbraw/zinc/66/36/35/451663635.db2.gz GCBULHBFXLGWTK-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638786060 451691246 /nfs/dbraw/zinc/69/12/46/451691246.db2.gz IYGLWVPVRTWWOC-PKOBYXMFSA-N 1 3 343.471 1.838 20 0 EDADHO NCc1ccc2c(c1)N(C(=O)c1cc(C3CC[NH2+]CC3)no1)CCO2 ZINC000638808683 451697439 /nfs/dbraw/zinc/69/74/39/451697439.db2.gz ZQURSKPZCNAMMV-UHFFFAOYSA-N 1 3 342.399 1.640 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000638834921 451705765 /nfs/dbraw/zinc/70/57/65/451705765.db2.gz IFFKSRAOOKTCIX-WBVHZDCISA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000638834921 451705769 /nfs/dbraw/zinc/70/57/69/451705769.db2.gz IFFKSRAOOKTCIX-WBVHZDCISA-N 1 3 331.460 1.249 20 0 EDADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850040 451710402 /nfs/dbraw/zinc/71/04/02/451710402.db2.gz AYMDKBJGVJLHBP-RBUKOAKNSA-N 1 3 345.487 1.926 20 0 EDADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850040 451710404 /nfs/dbraw/zinc/71/04/04/451710404.db2.gz AYMDKBJGVJLHBP-RBUKOAKNSA-N 1 3 345.487 1.926 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000638871416 451715135 /nfs/dbraw/zinc/71/51/35/451715135.db2.gz AVRWCVNSSCRKOK-QZTJIDSGSA-N 1 3 349.475 1.119 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CNCCC3(F)F)cn2)CC1 ZINC000638976627 451744158 /nfs/dbraw/zinc/74/41/58/451744158.db2.gz BHSGXWBPHJYMKX-ZDUSSCGKSA-N 1 3 327.379 1.333 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006780 451751683 /nfs/dbraw/zinc/75/16/83/451751683.db2.gz ZCVYVPWAFCPKRP-DLBZAZTESA-N 1 3 333.501 1.781 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020391 451753236 /nfs/dbraw/zinc/75/32/36/451753236.db2.gz FGVSGLPAGGALLS-GUDVDZBRSA-N 1 3 342.487 1.894 20 0 EDADHO CN(C)CCn1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cn1 ZINC000639028296 451754711 /nfs/dbraw/zinc/75/47/11/451754711.db2.gz YMJLHMZERLPTNC-CQSZACIVSA-N 1 3 327.432 1.223 20 0 EDADHO C[C@@H](C[C@@H]1CCCC(=O)N1)NCc1ccncc1OCCC[NH+](C)C ZINC000639186052 451787977 /nfs/dbraw/zinc/78/79/77/451787977.db2.gz XWXZPYUJQYZWCQ-RDJZCZTQSA-N 1 3 348.491 1.949 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000644525667 451841769 /nfs/dbraw/zinc/84/17/69/451841769.db2.gz UBKPJZUROWKPJC-FQEVSTJZSA-N 1 3 331.504 1.943 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000644618491 451897663 /nfs/dbraw/zinc/89/76/63/451897663.db2.gz OGGKCARYWNGRFG-OALUTQOASA-N 1 3 336.476 1.519 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000637469279 451885122 /nfs/dbraw/zinc/88/51/22/451885122.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000637469279 451885128 /nfs/dbraw/zinc/88/51/28/451885128.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 1 3 338.496 1.149 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639511918 451915918 /nfs/dbraw/zinc/91/59/18/451915918.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 1 3 331.504 1.897 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639511918 451915921 /nfs/dbraw/zinc/91/59/21/451915921.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 1 3 331.504 1.897 20 0 EDADHO Cn1cncc1CCN1CCC[C@@H]([N@H+](C)CCc2cncn2C)CC1 ZINC000639547310 451938702 /nfs/dbraw/zinc/93/87/02/451938702.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 1 3 344.507 1.725 20 0 EDADHO Cn1cncc1CCN1CCC[C@@H]([N@@H+](C)CCc2cncn2C)CC1 ZINC000639547310 451938711 /nfs/dbraw/zinc/93/87/11/451938711.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 1 3 344.507 1.725 20 0 EDADHO CN(CCc1cncn1C)[C@@H]1CCC[N@H+](CCc2cncn2C)CC1 ZINC000639547310 451938719 /nfs/dbraw/zinc/93/87/19/451938719.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 1 3 344.507 1.725 20 0 EDADHO CN(CCc1cncn1C)[C@@H]1CCC[N@@H+](CCc2cncn2C)CC1 ZINC000639547310 451938723 /nfs/dbraw/zinc/93/87/23/451938723.db2.gz SDBQJNQBWARPSG-QGZVFWFLSA-N 1 3 344.507 1.725 20 0 EDADHO COc1cc(CNC(=O)C2CCC([NH3+])CC2)ccc1OCCN(C)C ZINC000649302050 451978691 /nfs/dbraw/zinc/97/86/91/451978691.db2.gz OPWITQJRXUBQSW-UHFFFAOYSA-N 1 3 349.475 1.769 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649302470 451978938 /nfs/dbraw/zinc/97/89/38/451978938.db2.gz RIGUEXUFZGIHPX-MGPQQGTHSA-N 1 3 333.423 1.237 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649309108 451987279 /nfs/dbraw/zinc/98/72/79/451987279.db2.gz YXVUEBAXCXNBDY-HNNXBMFYSA-N 1 3 337.489 1.312 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326542 452006855 /nfs/dbraw/zinc/00/68/55/452006855.db2.gz BJHXVSSOXRVBAD-OIISXLGYSA-N 1 3 345.491 1.586 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649338899 452018898 /nfs/dbraw/zinc/01/88/98/452018898.db2.gz KQDQJFNUPIWGRI-PIIMJCKOSA-N 1 3 347.434 1.251 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649378637 452052335 /nfs/dbraw/zinc/05/23/35/452052335.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 1 3 336.524 1.523 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649378637 452052336 /nfs/dbraw/zinc/05/23/36/452052336.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 1 3 336.524 1.523 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2cnnn2-c2ccccc2)CC1 ZINC000651753584 452055581 /nfs/dbraw/zinc/05/55/81/452055581.db2.gz WPRFDIWBSYBMBF-UHFFFAOYSA-N 1 3 328.464 1.383 20 0 EDADHO CN(C[C@@H]1CCCN1C)c1nccnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000643197845 452063938 /nfs/dbraw/zinc/06/39/38/452063938.db2.gz DPURJPWMOJKSNS-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@@H]1CCCN1C)c1nccnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000643197845 452063947 /nfs/dbraw/zinc/06/39/47/452063947.db2.gz DPURJPWMOJKSNS-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637807118 452092594 /nfs/dbraw/zinc/09/25/94/452092594.db2.gz RRKHGVIPXCPPJE-GOSISDBHSA-N 1 3 342.443 1.256 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637831750 452105484 /nfs/dbraw/zinc/10/54/84/452105484.db2.gz BZUQAGQUXWZQOP-CYBMUJFWSA-N 1 3 345.447 1.033 20 0 EDADHO O=C1CCCN1CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651993721 452210444 /nfs/dbraw/zinc/21/04/44/452210444.db2.gz RVJSFTDXPWOUKL-UHFFFAOYSA-N 1 3 331.460 1.873 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000645221464 452217304 /nfs/dbraw/zinc/21/73/04/452217304.db2.gz NMZSDFDTGVPSRO-QAPCUYQASA-N 1 3 332.448 1.263 20 0 EDADHO NC(=O)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643452185 452229629 /nfs/dbraw/zinc/22/96/29/452229629.db2.gz LDLJEHKZILAOCI-CWLKWCNXSA-N 1 3 342.487 1.875 20 0 EDADHO CN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659426654 452268239 /nfs/dbraw/zinc/26/82/39/452268239.db2.gz ZQUPVJSTOFPGTN-IAGOWNOFSA-N 1 3 334.439 1.665 20 0 EDADHO O=C(NC1CC1)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541269 452273318 /nfs/dbraw/zinc/27/33/18/452273318.db2.gz VPPUHSWRDXXCPQ-SFHVURJKSA-N 1 3 328.460 1.058 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000647545170 452273759 /nfs/dbraw/zinc/27/37/59/452273759.db2.gz CNFRCUYNJJFBMJ-AEFFLSMTSA-N 1 3 327.432 1.596 20 0 EDADHO CCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000663583639 452310617 /nfs/dbraw/zinc/31/06/17/452310617.db2.gz BYJBLXWYLQEDMM-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000665745616 452314253 /nfs/dbraw/zinc/31/42/53/452314253.db2.gz KCNHRIIOWACNFX-JJXSEGSLSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000665745616 452314260 /nfs/dbraw/zinc/31/42/60/452314260.db2.gz KCNHRIIOWACNFX-JJXSEGSLSA-N 1 3 340.512 1.068 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652119740 452314731 /nfs/dbraw/zinc/31/47/31/452314731.db2.gz XGPIWZFXWWFFIF-GOSISDBHSA-N 1 3 332.492 1.848 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659460822 452316423 /nfs/dbraw/zinc/31/64/23/452316423.db2.gz UIMQOPLBIONPBC-VDHUWJSZSA-N 1 3 330.476 1.914 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000665759520 452325818 /nfs/dbraw/zinc/32/58/18/452325818.db2.gz JERWNPBKKYZBIU-XYJFISCASA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000665759520 452325831 /nfs/dbraw/zinc/32/58/31/452325831.db2.gz JERWNPBKKYZBIU-XYJFISCASA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC(C)(C)C1 ZINC000665759473 452326996 /nfs/dbraw/zinc/32/69/96/452326996.db2.gz IETAMFGWIDSGCB-AWEZNQCLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC(C)(C)C1 ZINC000665759473 452327001 /nfs/dbraw/zinc/32/70/01/452327001.db2.gz IETAMFGWIDSGCB-AWEZNQCLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638054252 452334626 /nfs/dbraw/zinc/33/46/26/452334626.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638054252 452334632 /nfs/dbraw/zinc/33/46/32/452334632.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 1 3 346.519 1.826 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C[C@H]1C[NH3+] ZINC000652141470 452335879 /nfs/dbraw/zinc/33/58/79/452335879.db2.gz QMXGGEDFONUZGX-KZNAEPCWSA-N 1 3 348.491 1.603 20 0 EDADHO C[C@@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762580 452339851 /nfs/dbraw/zinc/33/98/51/452339851.db2.gz JECFUXDASDAIPI-BBWFWOEESA-N 1 3 342.528 1.593 20 0 EDADHO C[C@@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762580 452339857 /nfs/dbraw/zinc/33/98/57/452339857.db2.gz JECFUXDASDAIPI-BBWFWOEESA-N 1 3 342.528 1.593 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000652150310 452342126 /nfs/dbraw/zinc/34/21/26/452342126.db2.gz SAZQMCJFSLJOSM-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652148073 452343334 /nfs/dbraw/zinc/34/33/34/452343334.db2.gz MUOSFYIVUVDTLK-QKPAOTATSA-N 1 3 326.485 1.255 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490045 452351369 /nfs/dbraw/zinc/35/13/69/452351369.db2.gz NEVIYRFGDCWSGT-BRWVUGGUSA-N 1 3 334.439 1.589 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490045 452351381 /nfs/dbraw/zinc/35/13/81/452351381.db2.gz NEVIYRFGDCWSGT-BRWVUGGUSA-N 1 3 334.439 1.589 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000638068184 452374742 /nfs/dbraw/zinc/37/47/42/452374742.db2.gz HJXUPXJVQOPOQL-WBVHZDCISA-N 1 3 337.489 1.119 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663640073 452383435 /nfs/dbraw/zinc/38/34/35/452383435.db2.gz BJOOKQVOQOOWKU-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659522646 452386900 /nfs/dbraw/zinc/38/69/00/452386900.db2.gz FDSWSXLQSBVLKR-QZTJIDSGSA-N 1 3 348.491 1.570 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(COC)CCCCN2)c1 ZINC000638078659 452393135 /nfs/dbraw/zinc/39/31/35/452393135.db2.gz DYSJUZUAGLHHAS-LJQANCHMSA-N 1 3 333.476 1.913 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(COC)CCCCN2)c1 ZINC000638078659 452393137 /nfs/dbraw/zinc/39/31/37/452393137.db2.gz DYSJUZUAGLHHAS-LJQANCHMSA-N 1 3 333.476 1.913 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659611636 452467219 /nfs/dbraw/zinc/46/72/19/452467219.db2.gz SRAVFHPUSSZXRK-VVLHAWIVSA-N 1 3 338.496 1.399 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657752846 452501524 /nfs/dbraw/zinc/50/15/24/452501524.db2.gz SOLGEHHKALEVED-IBGZPJMESA-N 1 3 341.459 1.919 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752846 452501531 /nfs/dbraw/zinc/50/15/31/452501531.db2.gz SOLGEHHKALEVED-IBGZPJMESA-N 1 3 341.459 1.919 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000659644877 452506798 /nfs/dbraw/zinc/50/67/98/452506798.db2.gz HMWKBFHZWVLZQI-QGZVFWFLSA-N 1 3 347.507 1.054 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345520 452520080 /nfs/dbraw/zinc/52/00/80/452520080.db2.gz DEWNSJRXWDERDJ-ZMSDIMECSA-N 1 3 342.443 1.413 20 0 EDADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346888 452522476 /nfs/dbraw/zinc/52/24/76/452522476.db2.gz LALHMWATXHRVNC-QAETUUGQSA-N 1 3 325.497 1.756 20 0 EDADHO CCCN(CCC)C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347217 452523447 /nfs/dbraw/zinc/52/34/47/452523447.db2.gz VYJVUUIXTXFYOT-GVDBMIGSSA-N 1 3 325.497 1.853 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccn1 ZINC000654512266 452587066 /nfs/dbraw/zinc/58/70/66/452587066.db2.gz SZLGJOLILKJBFH-IYBDPMFKSA-N 1 3 349.479 1.161 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657918225 452610966 /nfs/dbraw/zinc/61/09/66/452610966.db2.gz BGHBHLCDLCMCRZ-QGZVFWFLSA-N 1 3 331.460 1.779 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000648106894 452825295 /nfs/dbraw/zinc/82/52/95/452825295.db2.gz GRIVDKLLKYWWFS-HNNXBMFYSA-N 1 3 326.404 1.101 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccoc1 ZINC000666481580 452898319 /nfs/dbraw/zinc/89/83/19/452898319.db2.gz XHLHUXHWUFVMCA-QGZVFWFLSA-N 1 3 336.480 1.880 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1ccoc1 ZINC000666481580 452898330 /nfs/dbraw/zinc/89/83/30/452898330.db2.gz XHLHUXHWUFVMCA-QGZVFWFLSA-N 1 3 336.480 1.880 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662252632 452981344 /nfs/dbraw/zinc/98/13/44/452981344.db2.gz CIYXHSZGZJTYNN-KRWDZBQOSA-N 1 3 335.492 1.668 20 0 EDADHO CCN1C[C@H](CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261200 452990955 /nfs/dbraw/zinc/99/09/55/452990955.db2.gz UPVHMCWNQHPFBG-CVEARBPZSA-N 1 3 331.460 1.727 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000662315422 453032610 /nfs/dbraw/zinc/03/26/10/453032610.db2.gz FIFIHNASPHEJRN-WBVHZDCISA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000662315422 453032616 /nfs/dbraw/zinc/03/26/16/453032616.db2.gz FIFIHNASPHEJRN-WBVHZDCISA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000662315422 453032623 /nfs/dbraw/zinc/03/26/23/453032623.db2.gz FIFIHNASPHEJRN-WBVHZDCISA-N 1 3 331.460 1.682 20 0 EDADHO Nc1cc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000662337902 453055160 /nfs/dbraw/zinc/05/51/60/453055160.db2.gz NQWHOYBEZNAULE-HNNXBMFYSA-N 1 3 341.463 1.176 20 0 EDADHO CO[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000660141072 453071693 /nfs/dbraw/zinc/07/16/93/453071693.db2.gz QZLYLSRHFMXROV-RYQLBKOJSA-N 1 3 325.497 1.138 20 0 EDADHO CO[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000660141072 453071701 /nfs/dbraw/zinc/07/17/01/453071701.db2.gz QZLYLSRHFMXROV-RYQLBKOJSA-N 1 3 325.497 1.138 20 0 EDADHO CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000644153831 453085964 /nfs/dbraw/zinc/08/59/64/453085964.db2.gz VQZWCSYQWPSKHC-HOTGVXAUSA-N 1 3 337.414 1.964 20 0 EDADHO COc1ccc(C)nc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666722638 453097187 /nfs/dbraw/zinc/09/71/87/453097187.db2.gz WQBFWVPSINNHRB-AWEZNQCLSA-N 1 3 337.468 1.792 20 0 EDADHO COc1ccc(C)nc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666722638 453097192 /nfs/dbraw/zinc/09/71/92/453097192.db2.gz WQBFWVPSINNHRB-AWEZNQCLSA-N 1 3 337.468 1.792 20 0 EDADHO CC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CCO1 ZINC000648488489 453107601 /nfs/dbraw/zinc/10/76/01/453107601.db2.gz XPRHGQNUEIDTRM-FHWLQOOXSA-N 1 3 347.503 1.823 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000666770770 453136240 /nfs/dbraw/zinc/13/62/40/453136240.db2.gz VRNPMZBGNSRDJJ-WBMJQRKESA-N 1 3 330.432 1.245 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000655014692 453137096 /nfs/dbraw/zinc/13/70/96/453137096.db2.gz ZPEZTCVJVMOXCH-SFHVURJKSA-N 1 3 335.492 1.620 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666837647 453180676 /nfs/dbraw/zinc/18/06/76/453180676.db2.gz HUQWFEXVQXOCSE-OAHLLOKOSA-N 1 3 332.448 1.274 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000648648728 453185267 /nfs/dbraw/zinc/18/52/67/453185267.db2.gz QPVVUIPZRJVOMI-GOSISDBHSA-N 1 3 335.492 1.563 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000646214761 453226528 /nfs/dbraw/zinc/22/65/28/453226528.db2.gz IZNKMLBCUKLETK-CABCVRRESA-N 1 3 336.480 1.894 20 0 EDADHO [NH3+][C@H]1CCc2nc(NC(=O)c3cn[n-]c3[C@H]3CC[NH2+]C3)sc2C1 ZINC000662519740 453238374 /nfs/dbraw/zinc/23/83/74/453238374.db2.gz YNTDGQBIDHIPRL-IUCAKERBSA-N 1 3 332.433 1.011 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920222 453242333 /nfs/dbraw/zinc/24/23/33/453242333.db2.gz PZKZVGJLSOVYRD-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648780404 453263257 /nfs/dbraw/zinc/26/32/57/453263257.db2.gz HTDWTIHWNWTRDG-HOTGVXAUSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648780404 453263262 /nfs/dbraw/zinc/26/32/62/453263262.db2.gz HTDWTIHWNWTRDG-HOTGVXAUSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648780404 453263266 /nfs/dbraw/zinc/26/32/66/453263266.db2.gz HTDWTIHWNWTRDG-HOTGVXAUSA-N 1 3 347.507 1.681 20 0 EDADHO COc1cc(CNC(=O)[C@H]2CCC[NH2+]CC2)ccc1OCCN(C)C ZINC000653111252 453297710 /nfs/dbraw/zinc/29/77/10/453297710.db2.gz KAHQEBAWYSYGLV-INIZCTEOSA-N 1 3 349.475 1.642 20 0 EDADHO CN(C)C1(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120810 453311123 /nfs/dbraw/zinc/31/11/23/453311123.db2.gz BGBALOMMXKKULQ-MSOLQXFVSA-N 1 3 327.472 1.732 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000667176530 453454386 /nfs/dbraw/zinc/45/43/86/453454386.db2.gz UKEIONUKKFAFAT-KGLIPLIRSA-N 1 3 334.468 1.850 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)ccn1 ZINC000655352667 453471669 /nfs/dbraw/zinc/47/16/69/453471669.db2.gz OAAYTBPPTPLXLK-IAGOWNOFSA-N 1 3 346.475 1.769 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662778265 453512990 /nfs/dbraw/zinc/51/29/90/453512990.db2.gz ZEKAYDVHBQRDOW-CQSZACIVSA-N 1 3 331.313 1.952 20 0 EDADHO CN(C)CCN(C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCCC1 ZINC000662785429 453519161 /nfs/dbraw/zinc/51/91/61/453519161.db2.gz HXVLQURBZGKOTO-INIZCTEOSA-N 1 3 348.495 1.539 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662784904 453519378 /nfs/dbraw/zinc/51/93/78/453519378.db2.gz FORGOKWJKSPISP-OAHLLOKOSA-N 1 3 336.484 1.253 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858060 453573595 /nfs/dbraw/zinc/57/35/95/453573595.db2.gz DRMABYCWTSDLJT-IAGOWNOFSA-N 1 3 331.460 1.258 20 0 EDADHO O=C(Nc1cccc2c1CC[NH2+]C2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659018750 453582758 /nfs/dbraw/zinc/58/27/58/453582758.db2.gz TWVFJANHCMKGRS-MRXNPFEDSA-N 1 3 344.459 1.707 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C ZINC000665146263 453588924 /nfs/dbraw/zinc/58/89/24/453588924.db2.gz UPQNXMFZCFPJRL-XUWVNRHRSA-N 1 3 328.501 1.371 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C ZINC000665146263 453588927 /nfs/dbraw/zinc/58/89/27/453588927.db2.gz UPQNXMFZCFPJRL-XUWVNRHRSA-N 1 3 328.501 1.371 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659034556 453591345 /nfs/dbraw/zinc/59/13/45/453591345.db2.gz OGGLPFDYCZCKAH-WMLDXEAASA-N 1 3 332.448 1.811 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659034556 453591348 /nfs/dbraw/zinc/59/13/48/453591348.db2.gz OGGLPFDYCZCKAH-WMLDXEAASA-N 1 3 332.448 1.811 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659092443 453626227 /nfs/dbraw/zinc/62/62/27/453626227.db2.gz XBUCVPWOQODFJC-AWEZNQCLSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659092443 453626231 /nfs/dbraw/zinc/62/62/31/453626231.db2.gz XBUCVPWOQODFJC-AWEZNQCLSA-N 1 3 346.475 1.629 20 0 EDADHO CC[C@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636659 453778049 /nfs/dbraw/zinc/77/80/49/453778049.db2.gz FMFVFJLPZZKDOA-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636659 453778053 /nfs/dbraw/zinc/77/80/53/453778053.db2.gz FMFVFJLPZZKDOA-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000661335932 453794931 /nfs/dbraw/zinc/79/49/31/453794931.db2.gz FXIGREVEELPILR-PREGVCBESA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271320 486776228 /nfs/dbraw/zinc/77/62/28/486776228.db2.gz HVMJMMJLKYSCIO-YJNKEBTESA-N 1 3 343.537 1.699 20 0 EDADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271320 486776230 /nfs/dbraw/zinc/77/62/30/486776230.db2.gz HVMJMMJLKYSCIO-YJNKEBTESA-N 1 3 343.537 1.699 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000417969587 486819260 /nfs/dbraw/zinc/81/92/60/486819260.db2.gz OMYGZVQFMWEYKH-HOTGVXAUSA-N 1 3 331.464 1.867 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684117057 486949942 /nfs/dbraw/zinc/94/99/42/486949942.db2.gz WDIWQOUHYKZQLF-HNNXBMFYSA-N 1 3 336.484 1.687 20 0 EDADHO COC1CCN(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000684163376 486962984 /nfs/dbraw/zinc/96/29/84/486962984.db2.gz PTUVSTRJPASLJM-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO COC1CCN(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000684163376 486962987 /nfs/dbraw/zinc/96/29/87/486962987.db2.gz PTUVSTRJPASLJM-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000667793882 486967982 /nfs/dbraw/zinc/96/79/82/486967982.db2.gz QQWRSMDAVPSFLH-CQSZACIVSA-N 1 3 331.464 1.969 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684202556 486985042 /nfs/dbraw/zinc/98/50/42/486985042.db2.gz XBOLXGLDLDVQCE-QGZVFWFLSA-N 1 3 346.523 1.274 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673669314 487084691 /nfs/dbraw/zinc/08/46/91/487084691.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 1 3 336.524 1.486 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669314 487084694 /nfs/dbraw/zinc/08/46/94/487084694.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 1 3 336.524 1.486 20 0 EDADHO CN(CCCC[NH+](C)C)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000673841373 487129653 /nfs/dbraw/zinc/12/96/53/487129653.db2.gz UVOVBJQPCCEGMR-IBGZPJMESA-N 1 3 333.476 1.424 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000673871181 487141749 /nfs/dbraw/zinc/14/17/49/487141749.db2.gz XZGWTHWBNHTXLC-UHFFFAOYSA-N 1 3 334.468 1.441 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979701 487175801 /nfs/dbraw/zinc/17/58/01/487175801.db2.gz IXXFCEMCDMCVJT-GOEBONIOSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979701 487175805 /nfs/dbraw/zinc/17/58/05/487175805.db2.gz IXXFCEMCDMCVJT-GOEBONIOSA-N 1 3 326.510 1.207 20 0 EDADHO CCN1CCCN(c2nccnc2N2CCC[N@H+](CC)CC2)CC1 ZINC000679391186 487421235 /nfs/dbraw/zinc/42/12/35/487421235.db2.gz OECQIZOUTBWWEG-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CCN1CCCN(c2nccnc2N2CCC[N@@H+](CC)CC2)CC1 ZINC000679391186 487421236 /nfs/dbraw/zinc/42/12/36/487421236.db2.gz OECQIZOUTBWWEG-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CC[C@H]1CN(C(=O)NC2CCN(CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000669513900 485479056 /nfs/dbraw/zinc/47/90/56/485479056.db2.gz PKJZKCYSJFTIMW-RDJZCZTQSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561207 485568916 /nfs/dbraw/zinc/56/89/16/485568916.db2.gz YXUXEQIPVYTNGK-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])N(C)C)cc1 ZINC000669586765 485637597 /nfs/dbraw/zinc/63/75/97/485637597.db2.gz SXNMFPYTBCIWNR-OSJSJHBBSA-N 1 3 334.464 1.891 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000669132408 485719025 /nfs/dbraw/zinc/71/90/25/485719025.db2.gz AQNJGNRGUPZOFG-AEFFLSMTSA-N 1 3 346.475 1.520 20 0 EDADHO C[C@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145284 485733705 /nfs/dbraw/zinc/73/37/05/485733705.db2.gz JPLBPSFSUOFWFJ-KBPBESRZSA-N 1 3 340.512 1.068 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669401003 486065268 /nfs/dbraw/zinc/06/52/68/486065268.db2.gz ZXNFXODAKSHYQT-BZSNNMDCSA-N 1 3 330.476 1.553 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420240 486139290 /nfs/dbraw/zinc/13/92/90/486139290.db2.gz FXKMBMGPNPJEMH-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000178875696 534590255 /nfs/dbraw/zinc/59/02/55/534590255.db2.gz NCLHBNPPIUCPJT-UHFFFAOYSA-N 1 3 344.503 1.705 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158749527 528288795 /nfs/dbraw/zinc/28/87/95/528288795.db2.gz WPSXWDZOKCHIEF-OALUTQOASA-N 1 3 346.519 1.822 20 0 EDADHO CCN1CC[C@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037149 535768433 /nfs/dbraw/zinc/76/84/33/535768433.db2.gz NYRJHICQCWHVIQ-HKUYNNGSSA-N 1 3 344.503 1.655 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261631042 535889940 /nfs/dbraw/zinc/88/99/40/535889940.db2.gz BSXMRCSYRZYVAM-DOTOQJQBSA-N 1 3 346.475 1.112 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261656560 535916783 /nfs/dbraw/zinc/91/67/83/535916783.db2.gz HXGGPSFRPFBWTN-INIZCTEOSA-N 1 3 346.475 1.028 20 0 EDADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000097257368 536786394 /nfs/dbraw/zinc/78/63/94/536786394.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO COCCN(C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000097257368 536786398 /nfs/dbraw/zinc/78/63/98/536786398.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO CN(C)CCN1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727075029 578515405 /nfs/dbraw/zinc/51/54/05/578515405.db2.gz WSCMJADJJVKOEH-UHFFFAOYSA-N 1 3 343.585 1.064 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC1(C)CCC1 ZINC000746149440 579574094 /nfs/dbraw/zinc/57/40/94/579574094.db2.gz FHGGCLLFRMBLQU-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC1(C)CCC1 ZINC000746149440 579574095 /nfs/dbraw/zinc/57/40/95/579574095.db2.gz FHGGCLLFRMBLQU-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CCOCCNC(=S)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751012644 579791332 /nfs/dbraw/zinc/79/13/32/579791332.db2.gz YAIVIDSVYWYBLR-HNNXBMFYSA-N 1 3 330.542 1.245 20 0 EDADHO CCOCCNC(=S)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000751012644 579791334 /nfs/dbraw/zinc/79/13/34/579791334.db2.gz YAIVIDSVYWYBLR-HNNXBMFYSA-N 1 3 330.542 1.245 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000891856907 590657043 /nfs/dbraw/zinc/65/70/43/590657043.db2.gz UXDYJZVHVCOGAD-JYJNAYRXSA-N 1 3 326.485 1.304 20 0 EDADHO CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCCN(C)C1 ZINC000893190112 590702276 /nfs/dbraw/zinc/70/22/76/590702276.db2.gz BDTMQIFCFGIHQX-GOSISDBHSA-N 1 3 344.503 1.821 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000174 590736947 /nfs/dbraw/zinc/73/69/47/590736947.db2.gz PTEXCNDAZBOCPL-SJLPKXTDSA-N 1 3 330.476 1.868 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1ccncc1 ZINC000892060435 590779030 /nfs/dbraw/zinc/77/90/30/590779030.db2.gz PNCHCIQNRJSOCZ-CRAIPNDOSA-N 1 3 331.464 1.691 20 0 EDADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000892157575 590829171 /nfs/dbraw/zinc/82/91/71/590829171.db2.gz ZANNCLPPDDNPBX-CYBMUJFWSA-N 1 3 330.423 1.644 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000890896327 590838004 /nfs/dbraw/zinc/83/80/04/590838004.db2.gz ASFYWHOQSCJNIV-KSZLIROESA-N 1 3 349.523 1.548 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCCN2CCCC[C@H]12 ZINC000892234943 590879615 /nfs/dbraw/zinc/87/96/15/590879615.db2.gz AJLMWCZNRDNNTE-MELADBBJSA-N 1 3 330.423 1.547 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1c1ccncc1 ZINC000892267127 590899756 /nfs/dbraw/zinc/89/97/56/590899756.db2.gz RVDCBXGNPNMEBU-HOCLYGCPSA-N 1 3 329.448 1.444 20 0 EDADHO CN1CC[C@]2(CCN(C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407698 591015279 /nfs/dbraw/zinc/01/52/79/591015279.db2.gz CRAHPMMEGCRDEY-MJGOQNOKSA-N 1 3 330.476 1.684 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000891321750 591045908 /nfs/dbraw/zinc/04/59/08/591045908.db2.gz BJERAXBLCOTYGM-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)COC(C)=O)CC1 ZINC000892597795 591087825 /nfs/dbraw/zinc/08/78/25/591087825.db2.gz VIKATNMQFHDMJK-INIZCTEOSA-N 1 3 333.476 1.865 20 0 EDADHO CC1(C)OC[C@H](C[NH2+]CCCN2CCN(c3ccncc3)CC2)O1 ZINC000892758404 591162569 /nfs/dbraw/zinc/16/25/69/591162569.db2.gz OHKUOOHHKQAIPR-KRWDZBQOSA-N 1 3 334.464 1.335 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776058 591171465 /nfs/dbraw/zinc/17/14/65/591171465.db2.gz LXWCNLHDVPIKFU-HZPDHXFCSA-N 1 3 338.496 1.128 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776059 591171494 /nfs/dbraw/zinc/17/14/94/591171494.db2.gz LXWCNLHDVPIKFU-JKSUJKDBSA-N 1 3 338.496 1.128 20 0 EDADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(C2CC2)C1 ZINC000892776450 591171802 /nfs/dbraw/zinc/17/18/02/591171802.db2.gz OBFCOTPPIRLKII-HOTGVXAUSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892786339 591176778 /nfs/dbraw/zinc/17/67/78/591176778.db2.gz UNJBFARBKLJPGO-AZUAARDMSA-N 1 3 342.487 1.876 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892804169 591183305 /nfs/dbraw/zinc/18/33/05/591183305.db2.gz AHSFTBRCHTWRGM-ROUUACIJSA-N 1 3 330.476 1.827 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722496 591198755 /nfs/dbraw/zinc/19/87/55/591198755.db2.gz CWFPPZVODUCLKU-LSTDLKDCSA-N 1 3 328.460 1.683 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000893010883 591254957 /nfs/dbraw/zinc/25/49/57/591254957.db2.gz JOQIPRQORKAPBU-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000893010883 591254959 /nfs/dbraw/zinc/25/49/59/591254959.db2.gz JOQIPRQORKAPBU-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CO[C@@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000894854257 591444656 /nfs/dbraw/zinc/44/46/56/591444656.db2.gz FBWXCXLUGLUVOR-DLBZAZTESA-N 1 3 325.497 1.916 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000897497863 591500861 /nfs/dbraw/zinc/50/08/61/591500861.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000897497863 591500864 /nfs/dbraw/zinc/50/08/64/591500864.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO CC1(C)COC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000895013019 591522596 /nfs/dbraw/zinc/52/25/96/591522596.db2.gz VXUYASSYRUZVPU-GOSISDBHSA-N 1 3 345.487 1.899 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)C3CN(C4CCOCC4)C3)n2)CC1 ZINC000897594866 591573734 /nfs/dbraw/zinc/57/37/34/591573734.db2.gz WESQNFQVCZHONX-UHFFFAOYSA-N 1 3 347.463 1.199 20 0 EDADHO CN(C)C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)cc1 ZINC000897765747 591649196 /nfs/dbraw/zinc/64/91/96/591649196.db2.gz KXAMNSNBLRUIAT-GOSISDBHSA-N 1 3 349.450 1.655 20 0 EDADHO COC(=O)C[C@@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000898297588 591862383 /nfs/dbraw/zinc/86/23/83/591862383.db2.gz QGFGFACVMKPKJL-GOSISDBHSA-N 1 3 348.487 1.986 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522780 592010355 /nfs/dbraw/zinc/01/03/55/592010355.db2.gz XWGJFMIMZFQZEN-WOPDTQHZSA-N 1 3 325.844 1.392 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000900539102 592051354 /nfs/dbraw/zinc/05/13/54/592051354.db2.gz BHFVVTQNWXGVMM-INIZCTEOSA-N 1 3 333.480 1.535 20 0 EDADHO CN(C)CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900660899 592084188 /nfs/dbraw/zinc/08/41/88/592084188.db2.gz XOOWGXGJMDHLJS-SFHVURJKSA-N 1 3 325.497 1.556 20 0 EDADHO CN(C)CCN(C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900660899 592084190 /nfs/dbraw/zinc/08/41/90/592084190.db2.gz XOOWGXGJMDHLJS-SFHVURJKSA-N 1 3 325.497 1.556 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900684584 592093275 /nfs/dbraw/zinc/09/32/75/592093275.db2.gz DAGGAAKSWWBYCJ-IBGZPJMESA-N 1 3 349.475 1.549 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900684584 592093277 /nfs/dbraw/zinc/09/32/77/592093277.db2.gz DAGGAAKSWWBYCJ-IBGZPJMESA-N 1 3 349.475 1.549 20 0 EDADHO CN(C)c1ccnc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)c1 ZINC000903202109 592134864 /nfs/dbraw/zinc/13/48/64/592134864.db2.gz WUFPNATYHSJULT-UHFFFAOYSA-N 1 3 347.507 1.034 20 0 EDADHO CN(C)c1ccnc(CNC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000903202109 592134865 /nfs/dbraw/zinc/13/48/65/592134865.db2.gz WUFPNATYHSJULT-UHFFFAOYSA-N 1 3 347.507 1.034 20 0 EDADHO CCN1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191173 592136468 /nfs/dbraw/zinc/13/64/68/592136468.db2.gz PAYLQMOYOJQXJW-GJZGRUSLSA-N 1 3 345.553 1.947 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903495939 592187670 /nfs/dbraw/zinc/18/76/70/592187670.db2.gz CMMOTMPRYORWHK-IXDOHACOSA-N 1 3 333.476 1.795 20 0 EDADHO CC(C)CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510918 592190454 /nfs/dbraw/zinc/19/04/54/592190454.db2.gz UNNJJAYGGRYUIV-NXHRZFHOSA-N 1 3 336.524 1.438 20 0 EDADHO CC(C)CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510918 592190455 /nfs/dbraw/zinc/19/04/55/592190455.db2.gz UNNJJAYGGRYUIV-NXHRZFHOSA-N 1 3 336.524 1.438 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000906646104 592231472 /nfs/dbraw/zinc/23/14/72/592231472.db2.gz XXZJSECTGDJHOB-UHFFFAOYSA-N 1 3 332.448 1.466 20 0 EDADHO CCOC1CC(CNC[C@]2(C)CCC[NH2+]C2)(N2CCOCC2)C1 ZINC000904369567 592240193 /nfs/dbraw/zinc/24/01/93/592240193.db2.gz YKBOPLITMYNAIG-LXPRWKDFSA-N 1 3 325.497 1.236 20 0 EDADHO CCOC1CC(C[NH2+]C[C@]2(C)CCCNC2)(N2CCOCC2)C1 ZINC000904369567 592240195 /nfs/dbraw/zinc/24/01/95/592240195.db2.gz YKBOPLITMYNAIG-LXPRWKDFSA-N 1 3 325.497 1.236 20 0 EDADHO CC[C@@H](C(=O)N[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000907973726 592243545 /nfs/dbraw/zinc/24/35/45/592243545.db2.gz NWMNUAIDNIGZGP-SOUVJXGZSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000907973726 592243548 /nfs/dbraw/zinc/24/35/48/592243548.db2.gz NWMNUAIDNIGZGP-SOUVJXGZSA-N 1 3 342.528 1.314 20 0 EDADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000906664615 592246716 /nfs/dbraw/zinc/24/67/16/592246716.db2.gz NCLSBXLHBMRMLG-INIZCTEOSA-N 1 3 344.459 1.561 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1CN ZINC000906666134 592247721 /nfs/dbraw/zinc/24/77/21/592247721.db2.gz MEFWJTRABFUCEF-UHFFFAOYSA-N 1 3 334.464 1.664 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904458298 592266096 /nfs/dbraw/zinc/26/60/96/592266096.db2.gz WPVWLWGBKSZOEU-GUYCJALGSA-N 1 3 332.452 1.495 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3CN)CC[C@H]21 ZINC000906658498 592268078 /nfs/dbraw/zinc/26/80/78/592268078.db2.gz INPAGLCYBJBJTP-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3CN)CC[C@H]21 ZINC000906658498 592268081 /nfs/dbraw/zinc/26/80/81/592268081.db2.gz INPAGLCYBJBJTP-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO c1cc(-c2nc(CC3=N[C@H]4CCCC[C@@H]4N3)no2)nc2c1CC[NH2+]C2 ZINC000904645880 592303522 /nfs/dbraw/zinc/30/35/22/592303522.db2.gz DVZRYOYZISPWHY-STQMWFEESA-N 1 3 338.415 1.633 20 0 EDADHO CCOC(=O)[C@@H]1CNCC[C@@H]1N(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000903796574 592325430 /nfs/dbraw/zinc/32/54/30/592325430.db2.gz XGTZWOMPMXJZMR-OTWHNJEPSA-N 1 3 345.487 1.639 20 0 EDADHO FC(F)(F)c1ccnc([C@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825904 592335600 /nfs/dbraw/zinc/33/56/00/592335600.db2.gz DORCEWPZUHPIFS-RYUDHWBXSA-N 1 3 342.365 1.663 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893252 592365579 /nfs/dbraw/zinc/36/55/79/592365579.db2.gz TVEZNVFTPWFANT-IRXDYDNUSA-N 1 3 347.507 1.180 20 0 EDADHO CC1CCC(N2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000903893247 592365784 /nfs/dbraw/zinc/36/57/84/592365784.db2.gz SVJLAGXDWDFCND-DAWZGUTISA-N 1 3 346.523 1.899 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN(CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902604 592371613 /nfs/dbraw/zinc/37/16/13/592371613.db2.gz KHYQPMOCWPLLIS-SFHVURJKSA-N 1 3 330.476 1.649 20 0 EDADHO COc1cc(CN2CC[C@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922719 592378155 /nfs/dbraw/zinc/37/81/55/592378155.db2.gz COQSOOPHOKYNTF-KBPBESRZSA-N 1 3 343.418 1.850 20 0 EDADHO CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1nc(C2CC2)no1 ZINC000903925879 592380046 /nfs/dbraw/zinc/38/00/46/592380046.db2.gz INBGKLPRTPVTRZ-YPAMNDHTSA-N 1 3 331.464 1.766 20 0 EDADHO CC(C)[C@@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927803 592380938 /nfs/dbraw/zinc/38/09/38/592380938.db2.gz UDHLUITWVUXEHD-DOTOQJQBSA-N 1 3 335.496 1.870 20 0 EDADHO Cc1cccc([C@@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000905105220 592408082 /nfs/dbraw/zinc/40/80/82/592408082.db2.gz JUXHBZLZNMKKHR-SFHVURJKSA-N 1 3 333.476 1.561 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905122485 592417589 /nfs/dbraw/zinc/41/75/89/592417589.db2.gz PHFVUWJQVHIOBG-VQIMIIECSA-N 1 3 348.487 1.704 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[NH+]1CCC(O)CC1)C(F)F ZINC000905143810 592435459 /nfs/dbraw/zinc/43/54/59/592435459.db2.gz CQOLBDXAPGXYBU-QGZVFWFLSA-N 1 3 328.403 1.749 20 0 EDADHO C[C@@](O)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C(F)F ZINC000905143810 592435465 /nfs/dbraw/zinc/43/54/65/592435465.db2.gz CQOLBDXAPGXYBU-QGZVFWFLSA-N 1 3 328.403 1.749 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905175100 592454737 /nfs/dbraw/zinc/45/47/37/592454737.db2.gz MQEQRZBUYJKMFP-YESZJQIVSA-N 1 3 326.481 1.010 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905176446 592455616 /nfs/dbraw/zinc/45/56/16/592455616.db2.gz ROVCPRVECNIXFS-BZSNNMDCSA-N 1 3 340.508 1.400 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C1(O)CCC1 ZINC000905208494 592465835 /nfs/dbraw/zinc/46/58/35/592465835.db2.gz KPKUBRIXIWJGFL-NCXUSEDFSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1(O)CCC1 ZINC000905208494 592465838 /nfs/dbraw/zinc/46/58/38/592465838.db2.gz KPKUBRIXIWJGFL-NCXUSEDFSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1(O)CCC1 ZINC000905208494 592465840 /nfs/dbraw/zinc/46/58/40/592465840.db2.gz KPKUBRIXIWJGFL-NCXUSEDFSA-N 1 3 330.472 1.763 20 0 EDADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C1(O)CCCC1 ZINC000905357795 592505763 /nfs/dbraw/zinc/50/57/63/592505763.db2.gz BUAPVTQEDSCVRN-FHWLQOOXSA-N 1 3 348.487 1.125 20 0 EDADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)C1(O)CCCC1 ZINC000905357795 592505766 /nfs/dbraw/zinc/50/57/66/592505766.db2.gz BUAPVTQEDSCVRN-FHWLQOOXSA-N 1 3 348.487 1.125 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905399973 592520897 /nfs/dbraw/zinc/52/08/97/592520897.db2.gz ORJLWJOZWBALRK-MDNKFWRPSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905399973 592520900 /nfs/dbraw/zinc/52/09/00/592520900.db2.gz ORJLWJOZWBALRK-MDNKFWRPSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905399973 592520901 /nfs/dbraw/zinc/52/09/01/592520901.db2.gz ORJLWJOZWBALRK-MDNKFWRPSA-N 1 3 348.487 1.247 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503042 592546068 /nfs/dbraw/zinc/54/60/68/592546068.db2.gz MUEXGYNFVXPWHT-ZSXDVEMLSA-N 1 3 336.451 1.928 20 0 EDADHO CC(C)NCc1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000905787481 592649361 /nfs/dbraw/zinc/64/93/61/592649361.db2.gz LOPJRJPVZPYQOA-KRWDZBQOSA-N 1 3 344.463 1.195 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N1CCCC1 ZINC000906645785 592865724 /nfs/dbraw/zinc/86/57/24/592865724.db2.gz NSYHEFZUUZTSPY-ZDUSSCGKSA-N 1 3 332.448 1.419 20 0 EDADHO N[C@H](CC(=O)N[C@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911674251 592978792 /nfs/dbraw/zinc/97/87/92/592978792.db2.gz RMAJAZYILJIPBT-KBPBESRZSA-N 1 3 340.265 1.577 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720905 592988151 /nfs/dbraw/zinc/98/81/51/592988151.db2.gz KDIVOWXFZORXKS-VGMNTSGFSA-N 1 3 331.460 1.980 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)c2ccc3c(c2)OCCNC3)c1 ZINC000911761047 593006569 /nfs/dbraw/zinc/00/65/69/593006569.db2.gz JGKKXGDVNLFKQQ-UHFFFAOYSA-N 1 3 327.384 1.758 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000911884480 593030656 /nfs/dbraw/zinc/03/06/56/593030656.db2.gz QLZIKYOVQGBESZ-CRAIPNDOSA-N 1 3 349.475 1.134 20 0 EDADHO C[NH+]1CCC(N(CCO)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000911941445 593036843 /nfs/dbraw/zinc/03/68/43/593036843.db2.gz AGFFMURGDXCZAM-KRWDZBQOSA-N 1 3 329.460 1.114 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000912590273 593106858 /nfs/dbraw/zinc/10/68/58/593106858.db2.gz TYKDUVGZIAZTOM-UHFFFAOYSA-N 1 3 325.497 1.317 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000839602995 593348054 /nfs/dbraw/zinc/34/80/54/593348054.db2.gz WBEBARVZSKXTGE-PMACEKPBSA-N 1 3 347.503 1.935 20 0 EDADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896834 593646735 /nfs/dbraw/zinc/64/67/35/593646735.db2.gz WBIVZPOFFFKVCT-DDTOSNHZSA-N 1 3 326.824 1.732 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000818637834 593709711 /nfs/dbraw/zinc/70/97/11/593709711.db2.gz KLIGRYWPVGVQGK-CQSZACIVSA-N 1 3 332.448 1.383 20 0 EDADHO COc1cccc([C@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819062729 593736731 /nfs/dbraw/zinc/73/67/31/593736731.db2.gz SNTWJSYYIROURX-RBUKOAKNSA-N 1 3 334.460 1.962 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000819172857 593742714 /nfs/dbraw/zinc/74/27/14/593742714.db2.gz GNZXOTFYDFRGPT-KZNAEPCWSA-N 1 3 340.414 1.966 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000819219673 593744866 /nfs/dbraw/zinc/74/48/66/593744866.db2.gz FOMQTYPJPLSKLG-DYVFJYSZSA-N 1 3 338.473 1.364 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827924737 594304281 /nfs/dbraw/zinc/30/42/81/594304281.db2.gz JDNJUWHMJLYSHX-INIZCTEOSA-N 1 3 325.453 1.778 20 0 EDADHO CC[C@@H](C[C@@H](C)O)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000831311438 594605281 /nfs/dbraw/zinc/60/52/81/594605281.db2.gz OMMSJRLMGNHDSX-WBVHZDCISA-N 1 3 339.524 1.848 20 0 EDADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841790451 594953468 /nfs/dbraw/zinc/95/34/68/594953468.db2.gz WPEPKFOCMUCGIM-DLBZAZTESA-N 1 3 338.496 1.400 20 0 EDADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841790454 594953474 /nfs/dbraw/zinc/95/34/74/594953474.db2.gz WPEPKFOCMUCGIM-SJORKVTESA-N 1 3 338.496 1.400 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841791219 594953733 /nfs/dbraw/zinc/95/37/33/594953733.db2.gz PPELQSAGFVOTMX-ROUUACIJSA-N 1 3 346.475 1.063 20 0 EDADHO O=C(CNCC1CC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846964 594964398 /nfs/dbraw/zinc/96/43/98/594964398.db2.gz DZYVJGFRWLOGSM-UHFFFAOYSA-N 1 3 331.416 1.534 20 0 EDADHO COC[C@]1(CNC(=O)C[C@@H](N)c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850919 594965291 /nfs/dbraw/zinc/96/52/91/594965291.db2.gz IVBLXBWIMQEMIF-CZUORRHYSA-N 1 3 340.855 1.318 20 0 EDADHO C[NH2+]CCCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000843206469 595034542 /nfs/dbraw/zinc/03/45/42/595034542.db2.gz YCULJZQKEUVATO-UHFFFAOYSA-N 1 3 330.436 1.426 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842244084 595052355 /nfs/dbraw/zinc/05/23/55/595052355.db2.gz GOCITCDNTZFDSJ-KRWDZBQOSA-N 1 3 348.491 1.196 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057060 595276485 /nfs/dbraw/zinc/27/64/85/595276485.db2.gz FWUVIICZEJKYSK-QFBILLFUSA-N 1 3 343.471 1.797 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844169981 595290443 /nfs/dbraw/zinc/29/04/43/595290443.db2.gz DNUVFGINLIRVAX-MSOLQXFVSA-N 1 3 331.460 1.489 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000844172434 595290892 /nfs/dbraw/zinc/29/08/92/595290892.db2.gz XWEUUPMIIAIQGP-RYRKJORJSA-N 1 3 337.508 1.772 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000844187229 595296385 /nfs/dbraw/zinc/29/63/85/595296385.db2.gz HCRQNAGXBPFMRI-ROUUACIJSA-N 1 3 331.460 1.536 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674333 595298511 /nfs/dbraw/zinc/29/85/11/595298511.db2.gz MMCGYTIFIFGDOT-KRWDZBQOSA-N 1 3 333.480 1.046 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847311527 595393734 /nfs/dbraw/zinc/39/37/34/595393734.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847311527 595393737 /nfs/dbraw/zinc/39/37/37/595393737.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406173 595412702 /nfs/dbraw/zinc/41/27/02/595412702.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 1 3 343.471 1.488 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406173 595412704 /nfs/dbraw/zinc/41/27/04/595412704.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 1 3 343.471 1.488 20 0 EDADHO CN(CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000849058533 595476739 /nfs/dbraw/zinc/47/67/39/595476739.db2.gz INVXAWPGZVIPTD-UHFFFAOYSA-N 1 3 345.495 1.387 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101942 595482340 /nfs/dbraw/zinc/48/23/40/595482340.db2.gz AUTACCLZGPGZDJ-OAHLLOKOSA-N 1 3 339.528 1.474 20 0 EDADHO CNC(=O)C(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849110894 595483617 /nfs/dbraw/zinc/48/36/17/595483617.db2.gz OXCBEQIOQGXBMW-UHFFFAOYSA-N 1 3 345.491 1.537 20 0 EDADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488474 595549240 /nfs/dbraw/zinc/54/92/40/595549240.db2.gz OQWJPDNAFARXRL-QZTJIDSGSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495930 595550916 /nfs/dbraw/zinc/55/09/16/595550916.db2.gz GXQHVZKTDQSJOE-DJIMGWMZSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495930 595550919 /nfs/dbraw/zinc/55/09/19/595550919.db2.gz GXQHVZKTDQSJOE-DJIMGWMZSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553291 /nfs/dbraw/zinc/55/32/91/595553291.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 1 3 347.507 1.302 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553292 /nfs/dbraw/zinc/55/32/92/595553292.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 1 3 347.507 1.302 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849521665 595558458 /nfs/dbraw/zinc/55/84/58/595558458.db2.gz USWLBGAOKIWAKP-SJORKVTESA-N 1 3 333.480 1.010 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849541571 595560858 /nfs/dbraw/zinc/56/08/58/595560858.db2.gz PFQAHBOPPCVEIJ-DJIMGWMZSA-N 1 3 335.496 1.302 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557271 595566167 /nfs/dbraw/zinc/56/61/67/595566167.db2.gz FZISBBFVWJVBFH-ZJPYXAASSA-N 1 3 347.507 1.444 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852865907 595585757 /nfs/dbraw/zinc/58/57/57/595585757.db2.gz CADFYKHMKITKGN-BBRMVZONSA-N 1 3 330.432 1.432 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852865908 595586005 /nfs/dbraw/zinc/58/60/05/595586005.db2.gz CADFYKHMKITKGN-CJNGLKHVSA-N 1 3 330.432 1.432 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)C2=NO[C@H](CN)C2)CCCC1)c1ccccc1 ZINC000852867996 595587485 /nfs/dbraw/zinc/58/74/85/595587485.db2.gz KCVRJFUTVOGNOG-ZBFHGGJFSA-N 1 3 344.459 1.870 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870532 595590195 /nfs/dbraw/zinc/59/01/95/595590195.db2.gz DGWXDCIJHKGPDA-VNQPRFMTSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870532 595590199 /nfs/dbraw/zinc/59/01/99/595590199.db2.gz DGWXDCIJHKGPDA-VNQPRFMTSA-N 1 3 330.432 1.117 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103905 595665687 /nfs/dbraw/zinc/66/56/87/595665687.db2.gz CRPXVESMIRMXDR-PKOBYXMFSA-N 1 3 327.428 1.471 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103905 595665689 /nfs/dbraw/zinc/66/56/89/595665689.db2.gz CRPXVESMIRMXDR-PKOBYXMFSA-N 1 3 327.428 1.471 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000855345505 595680098 /nfs/dbraw/zinc/68/00/98/595680098.db2.gz CEBJMKFNUGIDQT-YOEHRIQHSA-N 1 3 347.459 1.676 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000855345505 595680103 /nfs/dbraw/zinc/68/01/03/595680103.db2.gz CEBJMKFNUGIDQT-YOEHRIQHSA-N 1 3 347.459 1.676 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)N1CCc2ccccc21 ZINC000855346278 595680437 /nfs/dbraw/zinc/68/04/37/595680437.db2.gz VCANTVQAMPCKIR-IRXDYDNUSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)N1CCc2ccccc21 ZINC000855346278 595680440 /nfs/dbraw/zinc/68/04/40/595680440.db2.gz VCANTVQAMPCKIR-IRXDYDNUSA-N 1 3 346.519 1.826 20 0 EDADHO COC(CCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000851764894 595914824 /nfs/dbraw/zinc/91/48/24/595914824.db2.gz NTEXNWFOBZCGTQ-UHFFFAOYSA-N 1 3 335.492 1.745 20 0 EDADHO COC(CCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000851764894 595914827 /nfs/dbraw/zinc/91/48/27/595914827.db2.gz NTEXNWFOBZCGTQ-UHFFFAOYSA-N 1 3 335.492 1.745 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952174 /nfs/dbraw/zinc/95/21/74/595952174.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 1 3 343.471 1.308 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952175 /nfs/dbraw/zinc/95/21/75/595952175.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 1 3 343.471 1.308 20 0 EDADHO CCN(C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+](CC)CC)C2)ccn1 ZINC000856633502 596039815 /nfs/dbraw/zinc/03/98/15/596039815.db2.gz XYQFYDJXEWVTDN-SFHVURJKSA-N 1 3 348.491 1.855 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852174829 596070848 /nfs/dbraw/zinc/07/08/48/596070848.db2.gz MVOBIUGKBMXOFM-OAHLLOKOSA-N 1 3 341.496 1.822 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852174829 596070852 /nfs/dbraw/zinc/07/08/52/596070852.db2.gz MVOBIUGKBMXOFM-OAHLLOKOSA-N 1 3 341.496 1.822 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000857102987 596158055 /nfs/dbraw/zinc/15/80/55/596158055.db2.gz YJPCLRJSUROXCE-AWEZNQCLSA-N 1 3 334.464 1.180 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCC2SCCS2)C1 ZINC000866711831 596305320 /nfs/dbraw/zinc/30/53/20/596305320.db2.gz OWHILTBQZFWNGP-GRYCIOLGSA-N 1 3 329.491 1.050 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000868215710 596728006 /nfs/dbraw/zinc/72/80/06/596728006.db2.gz FNVRHZFMZZLXEU-NDUQDZPOSA-N 1 3 338.496 1.412 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC000868299092 596774153 /nfs/dbraw/zinc/77/41/53/596774153.db2.gz ZXAPQPSEEOZLKV-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000872252570 596854294 /nfs/dbraw/zinc/85/42/94/596854294.db2.gz TXYLJZQAVKXZOI-HBUWYVDXSA-N 1 3 338.448 1.172 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000872254885 596855796 /nfs/dbraw/zinc/85/57/96/596855796.db2.gz FRBUCBDRGSMCOX-BPQIPLTHSA-N 1 3 338.411 1.602 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccns1 ZINC000875712941 596957065 /nfs/dbraw/zinc/95/70/65/596957065.db2.gz DSDHLJHXLFAEBY-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccns1 ZINC000875712941 596957067 /nfs/dbraw/zinc/95/70/67/596957067.db2.gz DSDHLJHXLFAEBY-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n1C ZINC000873055371 597173659 /nfs/dbraw/zinc/17/36/59/597173659.db2.gz HYPXTLZQZHMZGA-GJZGRUSLSA-N 1 3 337.464 1.791 20 0 EDADHO Cc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)n(C)n1 ZINC000873245267 597237985 /nfs/dbraw/zinc/23/79/85/597237985.db2.gz YKVBEZIHJZBJTE-ZDUSSCGKSA-N 1 3 325.420 1.619 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247061 597238978 /nfs/dbraw/zinc/23/89/78/597238978.db2.gz HMVDJXXQYRCABO-SCLBCKFNSA-N 1 3 326.448 1.298 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876722434 597306071 /nfs/dbraw/zinc/30/60/71/597306071.db2.gz UTBAIVYULUVDCY-BXWFABGCSA-N 1 3 346.519 1.670 20 0 EDADHO CC1(C)[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000876728123 597308821 /nfs/dbraw/zinc/30/88/21/597308821.db2.gz GJALQOMZUXPISN-KBPBESRZSA-N 1 3 325.522 1.838 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876897421 597375577 /nfs/dbraw/zinc/37/55/77/597375577.db2.gz RXIIPUHTAXXQOG-CQDKDKBSSA-N 1 3 338.402 1.563 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876904287 597378541 /nfs/dbraw/zinc/37/85/41/597378541.db2.gz XYJIHHZKQLGTGL-BPQIPLTHSA-N 1 3 349.450 1.896 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[N@@H+]1C ZINC000877206809 597462109 /nfs/dbraw/zinc/46/21/09/597462109.db2.gz QOVARGJRVIBRKM-DLBZAZTESA-N 1 3 342.447 1.073 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc(CN)nn3)c2)CC[N@H+]1C ZINC000877206809 597462111 /nfs/dbraw/zinc/46/21/11/597462111.db2.gz QOVARGJRVIBRKM-DLBZAZTESA-N 1 3 342.447 1.073 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000878363941 597597864 /nfs/dbraw/zinc/59/78/64/597597864.db2.gz LRZOSZAEILSZJY-VQIMIIECSA-N 1 3 331.460 1.564 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879591824 597648471 /nfs/dbraw/zinc/64/84/71/597648471.db2.gz UKZFFWSYAUDSLU-IBGZPJMESA-N 1 3 347.503 1.447 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C1(C[NH3+])CCCCC1)c1ccccc1 ZINC000883454126 597754011 /nfs/dbraw/zinc/75/40/11/597754011.db2.gz PYGSYGGAFRYDPA-SFHVURJKSA-N 1 3 346.519 1.999 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCNCCC23CCC3)cc1 ZINC000883478879 597767753 /nfs/dbraw/zinc/76/77/53/597767753.db2.gz DAUVRDPOKGRRGZ-UHFFFAOYSA-N 1 3 337.489 1.655 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)N3CCOC[C@@H]3C3CC3)CC2)CC1 ZINC000879249997 597864711 /nfs/dbraw/zinc/86/47/11/597864711.db2.gz JFGQJTZDEQIYBE-QGZVFWFLSA-N 1 3 335.492 1.432 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884187686 598019580 /nfs/dbraw/zinc/01/95/80/598019580.db2.gz MEZHTJQHJMTINJ-KRWDZBQOSA-N 1 3 346.475 1.824 20 0 EDADHO COCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000884207278 598029190 /nfs/dbraw/zinc/02/91/90/598029190.db2.gz QZUYUKPTAVPVHO-INIZCTEOSA-N 1 3 337.489 1.580 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CCOC)cc1 ZINC000884404379 598095282 /nfs/dbraw/zinc/09/52/82/598095282.db2.gz KGUBOYJITMMPNM-BBWFWOEESA-N 1 3 335.448 1.011 20 0 EDADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278508 598115911 /nfs/dbraw/zinc/11/59/11/598115911.db2.gz WVWFSGXOAJPYNW-LZWOXQAQSA-N 1 3 342.447 1.250 20 0 EDADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000914169525 695255592 /nfs/dbraw/zinc/25/55/92/695255592.db2.gz VJYAYYRYAMMDJS-SJORKVTESA-N 1 3 341.521 1.220 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@H]2C1 ZINC000992826071 695386455 /nfs/dbraw/zinc/38/64/55/695386455.db2.gz AAGXDVCVSUJZNH-RCBQFDQVSA-N 1 3 345.472 1.826 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1ccnn1C ZINC000994252541 696648789 /nfs/dbraw/zinc/64/87/89/696648789.db2.gz MEPCHNYLNRGATK-RDJZCZTQSA-N 1 3 345.491 1.028 20 0 EDADHO COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000940008467 700110348 /nfs/dbraw/zinc/11/03/48/700110348.db2.gz OBJNNZXBDFKZRU-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CN(CCOC1CCSCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000930114513 697392320 /nfs/dbraw/zinc/39/23/20/697392320.db2.gz SIQCCXVLVWDZQN-UHFFFAOYSA-N 1 3 329.554 1.856 20 0 EDADHO CN(CCOC1CCSCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000930114513 697392322 /nfs/dbraw/zinc/39/23/22/697392322.db2.gz SIQCCXVLVWDZQN-UHFFFAOYSA-N 1 3 329.554 1.856 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667017 697447921 /nfs/dbraw/zinc/44/79/21/697447921.db2.gz VNPSOLSQSQVJBH-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031674066 697482321 /nfs/dbraw/zinc/48/23/21/697482321.db2.gz COBSNNZFUNHMDH-LJQANCHMSA-N 1 3 327.472 1.885 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674633 697483396 /nfs/dbraw/zinc/48/33/96/697483396.db2.gz NAYYDZSUDYGMMS-QGZVFWFLSA-N 1 3 333.501 1.680 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715611 697741748 /nfs/dbraw/zinc/74/17/48/697741748.db2.gz XKBMEHNZGAOEJN-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715611 697741751 /nfs/dbraw/zinc/74/17/51/697741751.db2.gz XKBMEHNZGAOEJN-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604411 701593693 /nfs/dbraw/zinc/59/36/93/701593693.db2.gz YXQOXXXXDOOCMZ-HKUYNNGSSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941604411 701593694 /nfs/dbraw/zinc/59/36/94/701593694.db2.gz YXQOXXXXDOOCMZ-HKUYNNGSSA-N 1 3 348.535 1.488 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C3C[NH+](CC4CCC4)C3)CC2)CC1 ZINC000941615046 701597135 /nfs/dbraw/zinc/59/71/35/701597135.db2.gz OXUBGFUOZYSGJU-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939398650 699547727 /nfs/dbraw/zinc/54/77/27/699547727.db2.gz PPYCNBVDJOOFBB-QAPCUYQASA-N 1 3 348.466 1.889 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810405 699958640 /nfs/dbraw/zinc/95/86/40/699958640.db2.gz MXBOQMCSBIBJRG-YJBOKZPZSA-N 1 3 347.507 1.541 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CC1 ZINC000940148652 700281626 /nfs/dbraw/zinc/28/16/26/700281626.db2.gz CCWGGCOFKGJIAN-CQSZACIVSA-N 1 3 337.493 1.349 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)C1CC1 ZINC000940149320 700282180 /nfs/dbraw/zinc/28/21/80/700282180.db2.gz JMHPJTIXBUAPEZ-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000940329665 700509192 /nfs/dbraw/zinc/50/91/92/700509192.db2.gz WIJLAIBZQSNQDN-AWEZNQCLSA-N 1 3 334.464 1.938 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329516 700509198 /nfs/dbraw/zinc/50/91/98/700509198.db2.gz UYAPHQKMHCJWHM-INIZCTEOSA-N 1 3 330.476 1.894 20 0 EDADHO Cn1nccc1CN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842637 700938495 /nfs/dbraw/zinc/93/84/95/700938495.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842637 700938497 /nfs/dbraw/zinc/93/84/97/700938497.db2.gz LBPRFWKBSVKBLD-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945174 701010772 /nfs/dbraw/zinc/01/07/72/701010772.db2.gz XSSAUKVKQNTXAW-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945174 701010774 /nfs/dbraw/zinc/01/07/74/701010774.db2.gz XSSAUKVKQNTXAW-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1cccnc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189843 706632123 /nfs/dbraw/zinc/63/21/23/706632123.db2.gz NOBVNIGUGJFPES-IXDOHACOSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1cccnc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189843 706632126 /nfs/dbraw/zinc/63/21/26/706632126.db2.gz NOBVNIGUGJFPES-IXDOHACOSA-N 1 3 330.476 1.811 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)C1CCC1 ZINC000995916086 702276482 /nfs/dbraw/zinc/27/64/82/702276482.db2.gz IFYUWQOSHSZDSD-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072565 702484632 /nfs/dbraw/zinc/48/46/32/702484632.db2.gz QEZARLBCSBPTOD-IOSXPMGOSA-N 1 3 333.476 1.086 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996354948 702732900 /nfs/dbraw/zinc/73/29/00/702732900.db2.gz JZBFMNVNAIARCV-HZPDHXFCSA-N 1 3 334.464 1.738 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996475600 702807909 /nfs/dbraw/zinc/80/79/09/702807909.db2.gz CLWAHCLMLJYMEJ-WBVHZDCISA-N 1 3 345.491 1.375 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996475600 702807911 /nfs/dbraw/zinc/80/79/11/702807911.db2.gz CLWAHCLMLJYMEJ-WBVHZDCISA-N 1 3 345.491 1.375 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500573 702839391 /nfs/dbraw/zinc/83/93/91/702839391.db2.gz GXZKAFIALZQRGG-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996500573 702839393 /nfs/dbraw/zinc/83/93/93/702839393.db2.gz GXZKAFIALZQRGG-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1ccns1 ZINC000996522489 702858008 /nfs/dbraw/zinc/85/80/08/702858008.db2.gz XCZOWNGNZZYHRT-AWEZNQCLSA-N 1 3 334.489 1.566 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N[C@@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996602945 702912563 /nfs/dbraw/zinc/91/25/63/702912563.db2.gz IWYQQIUYQCRTIN-VBNZEHGJSA-N 1 3 348.495 1.485 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N[C@@H](C)c3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC000996602945 702912565 /nfs/dbraw/zinc/91/25/65/702912565.db2.gz IWYQQIUYQCRTIN-VBNZEHGJSA-N 1 3 348.495 1.485 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616445 702923375 /nfs/dbraw/zinc/92/33/75/702923375.db2.gz SBGGSBRPVIJGNN-RDJZCZTQSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616445 702923377 /nfs/dbraw/zinc/92/33/77/702923377.db2.gz SBGGSBRPVIJGNN-RDJZCZTQSA-N 1 3 330.476 1.668 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000996664066 702962345 /nfs/dbraw/zinc/96/23/45/702962345.db2.gz DJMPYBNHZFDDDP-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996672398 702973362 /nfs/dbraw/zinc/97/33/62/702973362.db2.gz MUMNCZZDMPPDJZ-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000996692569 702989696 /nfs/dbraw/zinc/98/96/96/702989696.db2.gz NSBSYIVZQOAKRN-VJFUWPCTSA-N 1 3 339.524 1.968 20 0 EDADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000996715376 703010234 /nfs/dbraw/zinc/01/02/34/703010234.db2.gz FSZKRBRFUFTCDG-ZBFHGGJFSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000996715376 703010237 /nfs/dbraw/zinc/01/02/37/703010237.db2.gz FSZKRBRFUFTCDG-ZBFHGGJFSA-N 1 3 349.504 1.636 20 0 EDADHO CC(C)(C(=O)N1CCC(NCc2cnns2)CC1)[NH+]1CCCC1 ZINC000996868708 703141237 /nfs/dbraw/zinc/14/12/37/703141237.db2.gz XZHOFKDMBITDIY-UHFFFAOYSA-N 1 3 337.493 1.493 20 0 EDADHO CN1CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cn2)CC1 ZINC000921521631 703357412 /nfs/dbraw/zinc/35/74/12/703357412.db2.gz LKTHQTYDUDKGHC-UHFFFAOYSA-N 1 3 332.427 1.289 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)CC[N@@H+]1C ZINC001032414006 703466023 /nfs/dbraw/zinc/46/60/23/703466023.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 1 3 349.519 1.819 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)CC[N@H+]1C ZINC001032414006 703466024 /nfs/dbraw/zinc/46/60/24/703466024.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 1 3 349.519 1.819 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181983 703466856 /nfs/dbraw/zinc/46/68/56/703466856.db2.gz FJNQQZIEUTZNGF-TZMCWYRMSA-N 1 3 334.468 1.097 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181983 703466857 /nfs/dbraw/zinc/46/68/57/703466857.db2.gz FJNQQZIEUTZNGF-TZMCWYRMSA-N 1 3 334.468 1.097 20 0 EDADHO CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997228089 703503758 /nfs/dbraw/zinc/50/37/58/703503758.db2.gz FXVKXAQLSOQPGD-RXHUYCNISA-N 1 3 335.492 1.475 20 0 EDADHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001060822115 703537259 /nfs/dbraw/zinc/53/72/59/703537259.db2.gz RNRSALFUINZPFR-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360655 703591154 /nfs/dbraw/zinc/59/11/54/703591154.db2.gz QFKYCBXPISGYHD-IYBDPMFKSA-N 1 3 347.507 1.856 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360655 703591156 /nfs/dbraw/zinc/59/11/56/703591156.db2.gz QFKYCBXPISGYHD-IYBDPMFKSA-N 1 3 347.507 1.856 20 0 EDADHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076805 704125771 /nfs/dbraw/zinc/12/57/71/704125771.db2.gz PJDUSNIHEAOSIP-JKSUJKDBSA-N 1 3 325.497 1.819 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999302937 706806317 /nfs/dbraw/zinc/80/63/17/706806317.db2.gz GSODRPCPZREKPV-WBVHZDCISA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999302937 706806318 /nfs/dbraw/zinc/80/63/18/706806318.db2.gz GSODRPCPZREKPV-WBVHZDCISA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999302932 706806417 /nfs/dbraw/zinc/80/64/17/706806417.db2.gz GSODRPCPZREKPV-RDJZCZTQSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999302932 706806419 /nfs/dbraw/zinc/80/64/19/706806419.db2.gz GSODRPCPZREKPV-RDJZCZTQSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)CCC1 ZINC000997822456 704742178 /nfs/dbraw/zinc/74/21/78/704742178.db2.gz DOOXOZTUDKWVSQ-QGZVFWFLSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997830242 704748678 /nfs/dbraw/zinc/74/86/78/704748678.db2.gz FWOGZWXKFWWISO-GOSISDBHSA-N 1 3 345.491 1.453 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1)C1CCC1 ZINC000997830267 704749205 /nfs/dbraw/zinc/74/92/05/704749205.db2.gz GSWPKCIVKPRGIT-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000997831433 704749506 /nfs/dbraw/zinc/74/95/06/704749506.db2.gz RTQOIXGRWCRKEX-KSSFIOAISA-N 1 3 345.491 1.706 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)N(C)C ZINC000997844901 704758532 /nfs/dbraw/zinc/75/85/32/704758532.db2.gz RFQIOVIMWKFVMP-SFHVURJKSA-N 1 3 332.492 1.996 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998067456 705280302 /nfs/dbraw/zinc/28/03/02/705280302.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998067456 705280305 /nfs/dbraw/zinc/28/03/05/705280305.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 1 3 335.492 1.573 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998083571 705312401 /nfs/dbraw/zinc/31/24/01/705312401.db2.gz WGBRHGZTDSVOLO-HNNXBMFYSA-N 1 3 345.491 1.598 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC1 ZINC000998175580 705471049 /nfs/dbraw/zinc/47/10/49/705471049.db2.gz MGXMVYYBJVQRBE-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998216292 705537726 /nfs/dbraw/zinc/53/77/26/705537726.db2.gz GJPQFXIOKBOCDO-QGZVFWFLSA-N 1 3 345.491 1.455 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998216292 705537730 /nfs/dbraw/zinc/53/77/30/705537730.db2.gz GJPQFXIOKBOCDO-QGZVFWFLSA-N 1 3 345.491 1.455 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998550866 705987423 /nfs/dbraw/zinc/98/74/23/705987423.db2.gz PMMOYHKPIWGGMW-FAFZWHIHSA-N 1 3 344.503 1.926 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999035167 706450019 /nfs/dbraw/zinc/45/00/19/706450019.db2.gz IWKAFBUDVLVFAM-DQPZFDDXSA-N 1 3 348.495 1.015 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999035167 706450022 /nfs/dbraw/zinc/45/00/22/706450022.db2.gz IWKAFBUDVLVFAM-DQPZFDDXSA-N 1 3 348.495 1.015 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC(NCc3ccc(F)cn3)C2)C1 ZINC000999410557 706920230 /nfs/dbraw/zinc/92/02/30/706920230.db2.gz YUQPXYBSIZBRDK-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC(NCc3ccc(F)cn3)C2)C1 ZINC000999410557 706920233 /nfs/dbraw/zinc/92/02/33/706920233.db2.gz YUQPXYBSIZBRDK-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999832191 707462672 /nfs/dbraw/zinc/46/26/72/707462672.db2.gz AAXIOXQORWLHTK-UHFFFAOYSA-N 1 3 342.896 1.971 20 0 EDADHO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004878072 707549759 /nfs/dbraw/zinc/54/97/59/707549759.db2.gz PLTKEKMJSHONFJ-CRAIPNDOSA-N 1 3 347.507 1.764 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCc3cncn3C)C2)C1 ZINC000999973381 707586195 /nfs/dbraw/zinc/58/61/95/707586195.db2.gz KMCUTGULZLMYAG-DLBZAZTESA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCc3cncn3C)C2)C1 ZINC000999973381 707586198 /nfs/dbraw/zinc/58/61/98/707586198.db2.gz KMCUTGULZLMYAG-DLBZAZTESA-N 1 3 347.507 1.623 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183394 708133611 /nfs/dbraw/zinc/13/36/11/708133611.db2.gz HWPLOTOMIXWGIT-MRXNPFEDSA-N 1 3 336.505 1.703 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001001832842 708358569 /nfs/dbraw/zinc/35/85/69/708358569.db2.gz IEBROBOYVXBBBP-TZMCWYRMSA-N 1 3 335.414 1.965 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001001832842 708358571 /nfs/dbraw/zinc/35/85/71/708358571.db2.gz IEBROBOYVXBBBP-TZMCWYRMSA-N 1 3 335.414 1.965 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684340 708496289 /nfs/dbraw/zinc/49/62/89/708496289.db2.gz MXICVSBGJRVAPH-MAUKXSAKSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684340 708496292 /nfs/dbraw/zinc/49/62/92/708496292.db2.gz MXICVSBGJRVAPH-MAUKXSAKSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684342 708496812 /nfs/dbraw/zinc/49/68/12/708496812.db2.gz MXICVSBGJRVAPH-YJBOKZPZSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684342 708496814 /nfs/dbraw/zinc/49/68/14/708496814.db2.gz MXICVSBGJRVAPH-YJBOKZPZSA-N 1 3 333.476 1.929 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033855408 708918107 /nfs/dbraw/zinc/91/81/07/708918107.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 1 3 325.497 1.270 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033855408 708918109 /nfs/dbraw/zinc/91/81/09/708918109.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 1 3 325.497 1.270 20 0 EDADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(CCOC)C1 ZINC001034011975 709225213 /nfs/dbraw/zinc/22/52/13/709225213.db2.gz LBGSYAQMRZEEOC-GOSISDBHSA-N 1 3 337.508 1.678 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034212969 709564600 /nfs/dbraw/zinc/56/46/00/709564600.db2.gz SMYIGDSWPKTRRQ-MSOLQXFVSA-N 1 3 345.491 1.196 20 0 EDADHO CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341060 709779531 /nfs/dbraw/zinc/77/95/31/709779531.db2.gz ZIKCEJVDSZYSLL-HZPDHXFCSA-N 1 3 325.497 1.866 20 0 EDADHO CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341060 709779534 /nfs/dbraw/zinc/77/95/34/709779534.db2.gz ZIKCEJVDSZYSLL-HZPDHXFCSA-N 1 3 325.497 1.866 20 0 EDADHO Cc1noc(CCCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525689 710176143 /nfs/dbraw/zinc/17/61/43/710176143.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 1 3 349.479 1.233 20 0 EDADHO Cc1noc(CCCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525689 710176145 /nfs/dbraw/zinc/17/61/45/710176145.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 1 3 349.479 1.233 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034642178 710317667 /nfs/dbraw/zinc/31/76/67/710317667.db2.gz AWAIFHUTTSORNG-BQFCYCMXSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034642178 710317672 /nfs/dbraw/zinc/31/76/72/710317672.db2.gz AWAIFHUTTSORNG-BQFCYCMXSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@H](C(=O)NC1CCN(CCn2cccn2)CC1)[NH+]1CCCCCC1 ZINC001003734961 710517007 /nfs/dbraw/zinc/51/70/07/710517007.db2.gz FFCNLWXJUWABIZ-QGZVFWFLSA-N 1 3 347.507 1.728 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734977 710918680 /nfs/dbraw/zinc/91/86/80/710918680.db2.gz CYFJTKJJULYCDS-KBAYOESNSA-N 1 3 347.507 1.464 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001034737796 710950872 /nfs/dbraw/zinc/95/08/72/710950872.db2.gz MVXPDLFBIJQLSH-OWIUFQIYSA-N 1 3 347.507 1.443 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC001034737796 710950875 /nfs/dbraw/zinc/95/08/75/710950875.db2.gz MVXPDLFBIJQLSH-OWIUFQIYSA-N 1 3 347.507 1.443 20 0 EDADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC1)C(N)=O ZINC001034795483 711113429 /nfs/dbraw/zinc/11/34/29/711113429.db2.gz JJEXWHVWWZBUKU-BPUTZDHNSA-N 1 3 346.475 1.253 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969403 711116022 /nfs/dbraw/zinc/11/60/22/711116022.db2.gz WWKNNKLRXHNKCB-FUHWJXTLSA-N 1 3 347.507 1.584 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792154 711118775 /nfs/dbraw/zinc/11/87/75/711118775.db2.gz GFMZAWJDVVNYMM-NMFUWQPSSA-N 1 3 334.468 1.143 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792154 711118778 /nfs/dbraw/zinc/11/87/78/711118778.db2.gz GFMZAWJDVVNYMM-NMFUWQPSSA-N 1 3 334.468 1.143 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)n[nH]1 ZINC001034958790 711432701 /nfs/dbraw/zinc/43/27/01/711432701.db2.gz MBBHTKZJIKTOLJ-HZPDHXFCSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)n[nH]1 ZINC001034958790 711432703 /nfs/dbraw/zinc/43/27/03/711432703.db2.gz MBBHTKZJIKTOLJ-HZPDHXFCSA-N 1 3 348.495 1.172 20 0 EDADHO COCc1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004146700 711557742 /nfs/dbraw/zinc/55/77/42/711557742.db2.gz ZXQQHGZUBJXXJA-GOSISDBHSA-N 1 3 345.487 1.865 20 0 EDADHO COCc1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004146700 711557745 /nfs/dbraw/zinc/55/77/45/711557745.db2.gz ZXQQHGZUBJXXJA-GOSISDBHSA-N 1 3 345.487 1.865 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126424 711889764 /nfs/dbraw/zinc/88/97/64/711889764.db2.gz NBFIZOMGWHWGCY-QZTJIDSGSA-N 1 3 337.508 1.820 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033126424 711889766 /nfs/dbraw/zinc/88/97/66/711889766.db2.gz NBFIZOMGWHWGCY-QZTJIDSGSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@H]1CCN(CCCF)C1 ZINC001033139663 711935816 /nfs/dbraw/zinc/93/58/16/711935816.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 1 3 341.471 1.522 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@H]1CCN(CCCF)C1 ZINC001033139663 711935818 /nfs/dbraw/zinc/93/58/18/711935818.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 1 3 341.471 1.522 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)N(C)C ZINC001004539596 711963757 /nfs/dbraw/zinc/96/37/57/711963757.db2.gz LRMGNFGFCJBVQC-IAGOWNOFSA-N 1 3 325.497 1.268 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1)N(C)C ZINC001004539596 711963758 /nfs/dbraw/zinc/96/37/58/711963758.db2.gz LRMGNFGFCJBVQC-IAGOWNOFSA-N 1 3 325.497 1.268 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033147403 712040480 /nfs/dbraw/zinc/04/04/80/712040480.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 1 3 347.507 1.679 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033147403 712040482 /nfs/dbraw/zinc/04/04/82/712040482.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 1 3 347.507 1.679 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1)N(C)C ZINC000946642972 712129991 /nfs/dbraw/zinc/12/99/91/712129991.db2.gz XUPVVXHEMQSKQX-SOLBZPMBSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1)N(C)C ZINC000946642972 712129994 /nfs/dbraw/zinc/12/99/94/712129994.db2.gz XUPVVXHEMQSKQX-SOLBZPMBSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2CC1)N(C)C ZINC000946642941 712130130 /nfs/dbraw/zinc/13/01/30/712130130.db2.gz WZTRTQWRRUCYJJ-XWTMOSNGSA-N 1 3 339.524 1.922 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2CC1)N(C)C ZINC000946642941 712130132 /nfs/dbraw/zinc/13/01/32/712130132.db2.gz WZTRTQWRRUCYJJ-XWTMOSNGSA-N 1 3 339.524 1.922 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000558722703 306245920 /nfs/dbraw/zinc/24/59/20/306245920.db2.gz OIKMTBQXGQSMGE-HRCADAONSA-N 1 3 343.537 1.511 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(F)ccc1F ZINC000180958345 529903807 /nfs/dbraw/zinc/90/38/07/529903807.db2.gz CUDNXLCVTJWMDK-SFHVURJKSA-N 1 3 341.446 1.956 20 0 EDADHO N[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290137 539627171 /nfs/dbraw/zinc/62/71/71/539627171.db2.gz OMTIGUUNTKLDME-ROUUACIJSA-N 1 3 331.460 1.602 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000561316608 306287061 /nfs/dbraw/zinc/28/70/61/306287061.db2.gz UYRGKYHMHLOEAS-IYBDPMFKSA-N 1 3 337.508 1.819 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000342982662 539770246 /nfs/dbraw/zinc/77/02/46/539770246.db2.gz FBVNCDRJHZGNGP-QQFBHYJXSA-N 1 3 340.512 1.070 20 0 EDADHO FC(F)(F)[C@H](CNCc1cccc2c[nH]nc21)N1CC[NH2+]CC1 ZINC000562748541 306307730 /nfs/dbraw/zinc/30/77/30/306307730.db2.gz HCBKBRINCNRHLS-ZDUSSCGKSA-N 1 3 327.354 1.489 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000562808605 306309965 /nfs/dbraw/zinc/30/99/65/306309965.db2.gz DYIOERSDYZSDEF-HOCLYGCPSA-N 1 3 331.464 1.738 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CSc3ccncc3)CC2)CC1 ZINC000050802342 138132786 /nfs/dbraw/zinc/13/27/86/138132786.db2.gz DXFYAKMZLGNVMJ-UHFFFAOYSA-N 1 3 348.516 1.849 20 0 EDADHO CCN(C)CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000066987483 138183541 /nfs/dbraw/zinc/18/35/41/138183541.db2.gz MPRQISMSLHTWKS-UHFFFAOYSA-N 1 3 332.492 1.944 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000249861604 535322723 /nfs/dbraw/zinc/32/27/23/535322723.db2.gz ALEPCXCUQFTWGK-DLBZAZTESA-N 1 3 325.497 1.868 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563559515 306338851 /nfs/dbraw/zinc/33/88/51/306338851.db2.gz ROJKEPPMSRIIIZ-KZNAEPCWSA-N 1 3 330.476 1.936 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107844942 138304698 /nfs/dbraw/zinc/30/46/98/138304698.db2.gz YSNAXFWSYYDLNT-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133095448 138388386 /nfs/dbraw/zinc/38/83/86/138388386.db2.gz SSDMVFBRHRNLGX-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000186948710 236074627 /nfs/dbraw/zinc/07/46/27/236074627.db2.gz ZGCVTRWZPMRNGL-GOSISDBHSA-N 1 3 346.519 1.822 20 0 EDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1cccc2[nH]ccc21 ZINC000564210882 306357091 /nfs/dbraw/zinc/35/70/91/306357091.db2.gz KXUOXEXAAYBIBB-INIZCTEOSA-N 1 3 347.459 1.344 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321460 306358362 /nfs/dbraw/zinc/35/83/62/306358362.db2.gz KZFGMBKIUOUPND-LSDHHAIUSA-N 1 3 336.432 1.477 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000564727318 306364107 /nfs/dbraw/zinc/36/41/07/306364107.db2.gz ZQUDUTRMNHSLPY-XYJFISCASA-N 1 3 348.491 1.703 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422792199 296000913 /nfs/dbraw/zinc/00/09/13/296000913.db2.gz QXSAGPJINUDPNU-ZWKOTPCHSA-N 1 3 338.540 1.293 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565823081 306392143 /nfs/dbraw/zinc/39/21/43/306392143.db2.gz KHGUPCQJTWQCIQ-JZXOWHBKSA-N 1 3 330.476 1.890 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000414712857 304131762 /nfs/dbraw/zinc/13/17/62/304131762.db2.gz VKZJEIBKDZSUAN-CABCVRRESA-N 1 3 346.475 1.724 20 0 EDADHO C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414748091 304136728 /nfs/dbraw/zinc/13/67/28/304136728.db2.gz UCNZXZBDKKWBIQ-BEFAXECRSA-N 1 3 333.451 1.986 20 0 EDADHO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414748091 304136731 /nfs/dbraw/zinc/13/67/31/304136731.db2.gz UCNZXZBDKKWBIQ-BEFAXECRSA-N 1 3 333.451 1.986 20 0 EDADHO CN(C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749230 304137046 /nfs/dbraw/zinc/13/70/46/304137046.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 1 3 338.540 1.770 20 0 EDADHO COc1cc(Br)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414779736 304139841 /nfs/dbraw/zinc/13/98/41/304139841.db2.gz KCBGCXPDAIITAK-UHFFFAOYSA-N 1 3 342.281 1.843 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000414830401 304145755 /nfs/dbraw/zinc/14/57/55/304145755.db2.gz AZEYYCGGIBTUNR-HOCLYGCPSA-N 1 3 341.496 1.530 20 0 EDADHO CC(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414841602 304146810 /nfs/dbraw/zinc/14/68/10/304146810.db2.gz YIVMBUGONLUPEV-MAUKXSAKSA-N 1 3 332.492 1.597 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733714 306426841 /nfs/dbraw/zinc/42/68/41/306426841.db2.gz HCZQLEVQISAXJH-MBOZVWFJSA-N 1 3 349.519 1.350 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000415039115 304153530 /nfs/dbraw/zinc/15/35/30/304153530.db2.gz IUEKOVOWQQHOOF-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415075073 304157737 /nfs/dbraw/zinc/15/77/37/304157737.db2.gz AZAMNZVXSOAKIT-HLLBOEOZSA-N 1 3 325.497 1.615 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118126 304161325 /nfs/dbraw/zinc/16/13/25/304161325.db2.gz DRMZKIBYGSBYAU-INIZCTEOSA-N 1 3 329.404 1.361 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000415139044 304163626 /nfs/dbraw/zinc/16/36/26/304163626.db2.gz HSKAIYYJPPGRHE-BBRMVZONSA-N 1 3 330.432 1.040 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)c1 ZINC000415153205 304166150 /nfs/dbraw/zinc/16/61/50/304166150.db2.gz CMMBDIUDHQTQHK-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO COCCNCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237202314 139043856 /nfs/dbraw/zinc/04/38/56/139043856.db2.gz LTKFIWSSMAWRMS-INIZCTEOSA-N 1 3 333.476 1.771 20 0 EDADHO COCCNCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237202314 139043857 /nfs/dbraw/zinc/04/38/57/139043857.db2.gz LTKFIWSSMAWRMS-INIZCTEOSA-N 1 3 333.476 1.771 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237602525 139055434 /nfs/dbraw/zinc/05/54/34/139055434.db2.gz CJHYMDLFRRHHLA-HOTGVXAUSA-N 1 3 337.508 1.996 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237901876 139063334 /nfs/dbraw/zinc/06/33/34/139063334.db2.gz AJYXSDQTUHELDH-MOPGFXCFSA-N 1 3 345.487 1.436 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000237901876 139063335 /nfs/dbraw/zinc/06/33/35/139063335.db2.gz AJYXSDQTUHELDH-MOPGFXCFSA-N 1 3 345.487 1.436 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111841963 220205472 /nfs/dbraw/zinc/20/54/72/220205472.db2.gz YDTPFFMFYSYXIM-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000111841996 220205530 /nfs/dbraw/zinc/20/55/30/220205530.db2.gz USZSBYMBTTYGOV-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000111841996 220205533 /nfs/dbraw/zinc/20/55/33/220205533.db2.gz USZSBYMBTTYGOV-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246962786 139128752 /nfs/dbraw/zinc/12/87/52/139128752.db2.gz IEDJNPWTPLNFOD-HOCLYGCPSA-N 1 3 332.448 1.331 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246962786 139128753 /nfs/dbraw/zinc/12/87/53/139128753.db2.gz IEDJNPWTPLNFOD-HOCLYGCPSA-N 1 3 332.448 1.331 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000247400438 139147472 /nfs/dbraw/zinc/14/74/72/139147472.db2.gz LKWPRWSTKXDHSV-HOTGVXAUSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000247400438 139147473 /nfs/dbraw/zinc/14/74/73/139147473.db2.gz LKWPRWSTKXDHSV-HOTGVXAUSA-N 1 3 348.491 1.872 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000261745666 139222584 /nfs/dbraw/zinc/22/25/84/139222584.db2.gz GXJKVZNBFNFOIL-KRWDZBQOSA-N 1 3 345.487 1.649 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000261817730 139228637 /nfs/dbraw/zinc/22/86/37/139228637.db2.gz HNQJEEPRZIBAPK-HNNXBMFYSA-N 1 3 331.460 1.972 20 0 EDADHO COCC1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000333635643 284818276 /nfs/dbraw/zinc/81/82/76/284818276.db2.gz HHQHZLJZBBULAJ-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000262110708 139251705 /nfs/dbraw/zinc/25/17/05/139251705.db2.gz VPQJENWHFLRZMB-IBGZPJMESA-N 1 3 330.476 1.639 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415565433 251017631 /nfs/dbraw/zinc/01/76/31/251017631.db2.gz IJIIUHHECVWPRZ-UHFFFAOYSA-N 1 3 333.480 1.208 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416009535 251046084 /nfs/dbraw/zinc/04/60/84/251046084.db2.gz PIQJOTHDJMBFFF-RYUDHWBXSA-N 1 3 340.390 1.018 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415573601 304229096 /nfs/dbraw/zinc/22/90/96/304229096.db2.gz QEBXUKYWSNZPRR-LJQANCHMSA-N 1 3 346.475 1.235 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417015921 251131821 /nfs/dbraw/zinc/13/18/21/251131821.db2.gz NGXYRZNYTYJOAC-YHUYYLMFSA-N 1 3 326.485 1.255 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417317098 251156485 /nfs/dbraw/zinc/15/64/85/251156485.db2.gz VNYCGIMCMKYYNZ-HKUYNNGSSA-N 1 3 330.476 1.993 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417555126 251186700 /nfs/dbraw/zinc/18/67/00/251186700.db2.gz XMRNPGPGOIGVRL-SFHVURJKSA-N 1 3 348.491 1.426 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000417595553 251201585 /nfs/dbraw/zinc/20/15/85/251201585.db2.gz XTBXEFUWWOSRBJ-NJAFHUGGSA-N 1 3 330.476 1.758 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754929 251256581 /nfs/dbraw/zinc/25/65/81/251256581.db2.gz QJSCRQTVFJUKGD-HZPDHXFCSA-N 1 3 327.517 1.077 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417833759 251289774 /nfs/dbraw/zinc/28/97/74/251289774.db2.gz URDZFLWFRIUCIZ-JLSDUUJJSA-N 1 3 330.476 1.934 20 0 EDADHO CCCN(C(=O)NC1CCN(CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000417808372 251279126 /nfs/dbraw/zinc/27/91/26/251279126.db2.gz LJNOHWSMAASRAH-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1Cc1ccccc1 ZINC000417873899 251308834 /nfs/dbraw/zinc/30/88/34/251308834.db2.gz MJDRQRJNDTXFAG-LULLPPNCSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418105959 251323632 /nfs/dbraw/zinc/32/36/32/251323632.db2.gz MGVXLHVZQONVRY-PKSQDBQZSA-N 1 3 336.402 1.686 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCCC[C@H]2CCC[NH2+]2)CCCO1 ZINC000418119458 251332248 /nfs/dbraw/zinc/33/22/48/251332248.db2.gz VAGKORWSUQSWPM-HZPDHXFCSA-N 1 3 326.485 1.319 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000262530814 139284673 /nfs/dbraw/zinc/28/46/73/139284673.db2.gz NJBMBKRBZIZNBV-MSOLQXFVSA-N 1 3 346.519 1.997 20 0 EDADHO COCC1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000418639596 251382123 /nfs/dbraw/zinc/38/21/23/251382123.db2.gz NAVZNGLSFFFOPW-KRWDZBQOSA-N 1 3 346.475 1.189 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422885968 252012091 /nfs/dbraw/zinc/01/20/91/252012091.db2.gz ZTKLJJDOBRJVEA-MJGOQNOKSA-N 1 3 344.503 1.962 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009295 252025820 /nfs/dbraw/zinc/02/58/20/252025820.db2.gz CNFCBNRHWISOBK-SRVKXCTJSA-N 1 3 333.354 1.821 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424149653 252145197 /nfs/dbraw/zinc/14/51/97/252145197.db2.gz WZTQVBRBARNGEJ-OAHLLOKOSA-N 1 3 342.447 1.825 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000424442458 252233128 /nfs/dbraw/zinc/23/31/28/252233128.db2.gz VLOYFWXTMIXOTG-AWEZNQCLSA-N 1 3 332.448 1.383 20 0 EDADHO O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424477574 252247072 /nfs/dbraw/zinc/24/70/72/252247072.db2.gz LVLGWAPDOKEGGJ-RBUKOAKNSA-N 1 3 340.471 1.822 20 0 EDADHO COCC[NH2+]CCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482671 252249851 /nfs/dbraw/zinc/24/98/51/252249851.db2.gz UZQCFZHVAQQVRU-ZWKOTPCHSA-N 1 3 346.475 1.138 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)CC1 ZINC000422025977 285187491 /nfs/dbraw/zinc/18/74/91/285187491.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 1 3 348.535 1.632 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CSC ZINC000175085683 285245333 /nfs/dbraw/zinc/24/53/33/285245333.db2.gz NQGHEOZQSDOABZ-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CSC ZINC000175085683 285245335 /nfs/dbraw/zinc/24/53/35/285245335.db2.gz NQGHEOZQSDOABZ-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788417 224305865 /nfs/dbraw/zinc/30/58/65/224305865.db2.gz FYBSIZMWMOUNKF-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO COC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000119299801 221288726 /nfs/dbraw/zinc/28/87/26/221288726.db2.gz XUNXVMGIZLBKQH-KRWDZBQOSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271993427 140384563 /nfs/dbraw/zinc/38/45/63/140384563.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271993427 140384564 /nfs/dbraw/zinc/38/45/64/140384564.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333501428 141327566 /nfs/dbraw/zinc/32/75/66/141327566.db2.gz DJFXIZKVZNUXRU-IRXDYDNUSA-N 1 3 343.475 1.549 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CNC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333587484 141341197 /nfs/dbraw/zinc/34/11/97/141341197.db2.gz OEHOLWTUHZZKBL-LSDHHAIUSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CNC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333587484 141341199 /nfs/dbraw/zinc/34/11/99/141341199.db2.gz OEHOLWTUHZZKBL-LSDHHAIUSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333806186 141385084 /nfs/dbraw/zinc/38/50/84/141385084.db2.gz IOIAFQBNYFEIGN-BFYDXBDKSA-N 1 3 338.496 1.399 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000339608572 142091998 /nfs/dbraw/zinc/09/19/98/142091998.db2.gz QJJZHPFVYJYTIF-INIZCTEOSA-N 1 3 340.512 1.212 20 0 EDADHO CCN1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000341430812 142561655 /nfs/dbraw/zinc/56/16/55/142561655.db2.gz MAGYREWMEWBGFB-MRXNPFEDSA-N 1 3 325.522 1.804 20 0 EDADHO CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C ZINC000344919489 143026931 /nfs/dbraw/zinc/02/69/31/143026931.db2.gz GQVQATHYMLCJHN-HZPDHXFCSA-N 1 3 342.528 1.076 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000345641298 143115442 /nfs/dbraw/zinc/11/54/42/143115442.db2.gz ONZGZQQIIKKIQW-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000345647802 143116216 /nfs/dbraw/zinc/11/62/16/143116216.db2.gz YCJJDKFVAATBNG-RDJZCZTQSA-N 1 3 342.553 1.987 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000345836545 143138248 /nfs/dbraw/zinc/13/82/48/143138248.db2.gz CWOLUZOPCLPSFM-QZTJIDSGSA-N 1 3 344.503 1.833 20 0 EDADHO C[C@H](CN(C)C)NC(=O)c1cccc(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346185491 143176512 /nfs/dbraw/zinc/17/65/12/143176512.db2.gz DTRBHCVXNWMMQR-ZIAGYGMSSA-N 1 3 334.464 1.046 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344313 143194308 /nfs/dbraw/zinc/19/43/08/143194308.db2.gz DASOVIVZNLCQRM-JKSUJKDBSA-N 1 3 339.528 1.137 20 0 EDADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416788445 304349112 /nfs/dbraw/zinc/34/91/12/304349112.db2.gz QGEFIUZERRRZFZ-FGTMMUONSA-N 1 3 328.460 1.684 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCNC(C)(C)C2)[C@H](C)C1 ZINC000417670595 286058598 /nfs/dbraw/zinc/05/85/98/286058598.db2.gz OJUKUQJRKAZFGC-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCNC(C)(C)C2)[C@H](C)C1 ZINC000417670595 286058599 /nfs/dbraw/zinc/05/85/99/286058599.db2.gz OJUKUQJRKAZFGC-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO CCCN(C(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000416859429 304352489 /nfs/dbraw/zinc/35/24/89/304352489.db2.gz ZXUWLNRWUSTFKU-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000369919330 155232684 /nfs/dbraw/zinc/23/26/84/155232684.db2.gz KWHGTASESDYCJZ-OAFZBRQQSA-N 1 3 337.508 1.613 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000369919330 155232685 /nfs/dbraw/zinc/23/26/85/155232685.db2.gz KWHGTASESDYCJZ-OAFZBRQQSA-N 1 3 337.508 1.613 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000353358467 149378907 /nfs/dbraw/zinc/37/89/07/149378907.db2.gz XVNUVTQAJURNJW-CMJOXMDJSA-N 1 3 338.517 1.949 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930179 155241187 /nfs/dbraw/zinc/24/11/87/155241187.db2.gz XBXGJPNFGLOULT-SJORKVTESA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930179 155241188 /nfs/dbraw/zinc/24/11/88/155241188.db2.gz XBXGJPNFGLOULT-SJORKVTESA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000416981294 304360824 /nfs/dbraw/zinc/36/08/24/304360824.db2.gz ZWBBUUKLUZUWTH-WBVHZDCISA-N 1 3 348.491 1.814 20 0 EDADHO C[C@]1(C[NH3+])CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417040963 304365077 /nfs/dbraw/zinc/36/50/77/304365077.db2.gz VVXLOGZOQVHFDR-LJQANCHMSA-N 1 3 330.476 1.815 20 0 EDADHO CC[C@@H](C)N[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccco1 ZINC000357546867 151063599 /nfs/dbraw/zinc/06/35/99/151063599.db2.gz QDCHXSQEHAFEBT-GDBMZVCRSA-N 1 3 345.447 1.937 20 0 EDADHO CSC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCN(C)CC1 ZINC000357873445 151179965 /nfs/dbraw/zinc/17/99/65/151179965.db2.gz UEKDIMYNHHUAKL-GJZGRUSLSA-N 1 3 342.553 1.842 20 0 EDADHO CSC1(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CCN(C)CC1 ZINC000357873445 151179967 /nfs/dbraw/zinc/17/99/67/151179967.db2.gz UEKDIMYNHHUAKL-GJZGRUSLSA-N 1 3 342.553 1.842 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357972942 151216313 /nfs/dbraw/zinc/21/63/13/151216313.db2.gz KQEUFOCOCDBVCF-GOEBONIOSA-N 1 3 330.542 1.843 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357972942 151216318 /nfs/dbraw/zinc/21/63/18/151216318.db2.gz KQEUFOCOCDBVCF-GOEBONIOSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CCN1 ZINC000417085199 304371542 /nfs/dbraw/zinc/37/15/42/304371542.db2.gz BQZXHYNYGSTJSQ-OAHLLOKOSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CCN1 ZINC000417085199 304371543 /nfs/dbraw/zinc/37/15/43/304371543.db2.gz BQZXHYNYGSTJSQ-OAHLLOKOSA-N 1 3 330.476 1.827 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)N1CCC[NH2+]CC1 ZINC000417093136 304371987 /nfs/dbraw/zinc/37/19/87/304371987.db2.gz AXGZOZNXUHSDEY-UHFFFAOYSA-N 1 3 326.510 1.353 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417119696 304374433 /nfs/dbraw/zinc/37/44/33/304374433.db2.gz UEEZWPLOYWFIDK-LSDHHAIUSA-N 1 3 340.537 1.740 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417122813 304374952 /nfs/dbraw/zinc/37/49/52/304374952.db2.gz YEHCLEOKQBXSTA-CQSZACIVSA-N 1 3 328.526 1.503 20 0 EDADHO C[C@@H](CNC(=O)NCCCNCc1cccnc1)C[NH+]1CCCC1 ZINC000417129933 304375796 /nfs/dbraw/zinc/37/57/96/304375796.db2.gz AIKVRORCUBNIRS-INIZCTEOSA-N 1 3 333.480 1.592 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748770 152184838 /nfs/dbraw/zinc/18/48/38/152184838.db2.gz XRUSBEQIRBFURI-DOTOQJQBSA-N 1 3 340.537 1.694 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360874452 152237733 /nfs/dbraw/zinc/23/77/33/152237733.db2.gz TZVSATQMYZUXLB-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1(C)C ZINC000361238614 152343137 /nfs/dbraw/zinc/34/31/37/152343137.db2.gz VBZKOGQLIBKFOV-QZTJIDSGSA-N 1 3 341.540 1.558 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(CCN(C)C)CC1 ZINC000361268176 152349608 /nfs/dbraw/zinc/34/96/08/152349608.db2.gz GPTWBRUNVBBAHL-UHFFFAOYSA-N 1 3 340.556 1.985 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000574055786 306642200 /nfs/dbraw/zinc/64/22/00/306642200.db2.gz XAPZOUGQJJTPPY-CQSZACIVSA-N 1 3 334.455 1.947 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000361425010 152390958 /nfs/dbraw/zinc/39/09/58/152390958.db2.gz MFOSJGWEBHSMKR-HZPDHXFCSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000361425010 152390960 /nfs/dbraw/zinc/39/09/60/152390960.db2.gz MFOSJGWEBHSMKR-HZPDHXFCSA-N 1 3 340.512 1.347 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417179482 304381029 /nfs/dbraw/zinc/38/10/29/304381029.db2.gz FUPSTFFKFIIKOR-FGTMMUONSA-N 1 3 330.476 1.553 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364721652 153314399 /nfs/dbraw/zinc/31/43/99/153314399.db2.gz BFDBPOUHRXJZDB-TXPKVOOTSA-N 1 3 337.508 1.756 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052842 286416404 /nfs/dbraw/zinc/41/64/04/286416404.db2.gz SCYXFZQKZAIIDR-QAPCUYQASA-N 1 3 325.497 1.756 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273130 154062402 /nfs/dbraw/zinc/06/24/02/154062402.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273130 154062403 /nfs/dbraw/zinc/06/24/03/154062403.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367273130 154062405 /nfs/dbraw/zinc/06/24/05/154062405.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367273130 154062406 /nfs/dbraw/zinc/06/24/06/154062406.db2.gz AJQUMYRFCXONIR-SJLPKXTDSA-N 1 3 334.508 1.099 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000369658808 155123114 /nfs/dbraw/zinc/12/31/14/155123114.db2.gz DUTNYMJQVRPGHC-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000369658808 155123115 /nfs/dbraw/zinc/12/31/15/155123115.db2.gz DUTNYMJQVRPGHC-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000417533754 304403987 /nfs/dbraw/zinc/40/39/87/304403987.db2.gz YGSHVWPHWKVNPG-DOTOQJQBSA-N 1 3 348.491 1.548 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000417547194 304404524 /nfs/dbraw/zinc/40/45/24/304404524.db2.gz NSRHXQJKMBCQCV-KBPBESRZSA-N 1 3 326.485 1.268 20 0 EDADHO C[C@H]1CN(CC[N@H+](C)C2CCN(C3CCOCC3)CC2)CCO1 ZINC000374290992 157228719 /nfs/dbraw/zinc/22/87/19/157228719.db2.gz AORUAOOQRWXUND-INIZCTEOSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@H]1CN(CC[N@@H+](C)C2CCN(C3CCOCC3)CC2)CCO1 ZINC000374290992 157228725 /nfs/dbraw/zinc/22/87/25/157228725.db2.gz AORUAOOQRWXUND-INIZCTEOSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000378527257 158200162 /nfs/dbraw/zinc/20/01/62/158200162.db2.gz ULZBOVPUJXLQRY-GJZGRUSLSA-N 1 3 325.497 1.865 20 0 EDADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCOC1 ZINC000352433168 162178557 /nfs/dbraw/zinc/17/85/57/162178557.db2.gz XVTFWOWYYYHKOW-KRWDZBQOSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418178650 304460129 /nfs/dbraw/zinc/46/01/29/304460129.db2.gz ZAHYZBBKVQUVRG-KSSFIOAISA-N 1 3 346.475 1.791 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418311784 304478484 /nfs/dbraw/zinc/47/84/84/304478484.db2.gz GGZNHGPMVOJLBT-HNNXBMFYSA-N 1 3 336.455 1.899 20 0 EDADHO COc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ncn1 ZINC000122281978 222051606 /nfs/dbraw/zinc/05/16/06/222051606.db2.gz LQMVZSRJNGOALF-UHFFFAOYSA-N 1 3 348.451 1.165 20 0 EDADHO CO[C@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122723794 222144581 /nfs/dbraw/zinc/14/45/81/222144581.db2.gz AKSBNKVCBYGDSC-IRXDYDNUSA-N 1 3 338.496 1.412 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000123445757 222278161 /nfs/dbraw/zinc/27/81/61/222278161.db2.gz PMGYYHZKPVNQKG-HNNXBMFYSA-N 1 3 332.448 1.145 20 0 EDADHO CO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665761082 452337330 /nfs/dbraw/zinc/33/73/30/452337330.db2.gz WKGOWZACHISEPC-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CO[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665761082 452337356 /nfs/dbraw/zinc/33/73/56/452337356.db2.gz WKGOWZACHISEPC-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO C[N@H+](CCN1CCN(CCC2OCCO2)CC1)Cc1ccccc1 ZINC000124247262 222398573 /nfs/dbraw/zinc/39/85/73/222398573.db2.gz CVCXDVZXNCYOBD-UHFFFAOYSA-N 1 3 333.476 1.499 20 0 EDADHO C[N@@H+](CCN1CCN(CCC2OCCO2)CC1)Cc1ccccc1 ZINC000124247262 222398576 /nfs/dbraw/zinc/39/85/76/222398576.db2.gz CVCXDVZXNCYOBD-UHFFFAOYSA-N 1 3 333.476 1.499 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418416984 304493865 /nfs/dbraw/zinc/49/38/65/304493865.db2.gz UTGCJEBIXFBFSM-OWCLPIDISA-N 1 3 326.485 1.256 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418433277 304495406 /nfs/dbraw/zinc/49/54/06/304495406.db2.gz CVICJNZSDCQDFY-JYJNAYRXSA-N 1 3 326.485 1.255 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCCN1 ZINC000638069531 452372872 /nfs/dbraw/zinc/37/28/72/452372872.db2.gz QAMQNAYFCGRUEL-SJLPKXTDSA-N 1 3 325.497 1.772 20 0 EDADHO O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188742573 272958961 /nfs/dbraw/zinc/95/89/61/272958961.db2.gz XQZXIZGTSZIUEQ-DZGCQCFKSA-N 1 3 325.453 1.776 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236997573 267922930 /nfs/dbraw/zinc/92/29/30/267922930.db2.gz DLATVZUGJGMIIC-AEFFLSMTSA-N 1 3 330.476 1.686 20 0 EDADHO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274783170 268205670 /nfs/dbraw/zinc/20/56/70/268205670.db2.gz PRBWEENHXURJEL-DOTOQJQBSA-N 1 3 341.459 1.640 20 0 EDADHO C[C@H](NCCNC(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274783170 268205673 /nfs/dbraw/zinc/20/56/73/268205673.db2.gz PRBWEENHXURJEL-DOTOQJQBSA-N 1 3 341.459 1.640 20 0 EDADHO C[C@H](NCCNC(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274783170 268205674 /nfs/dbraw/zinc/20/56/74/268205674.db2.gz PRBWEENHXURJEL-DOTOQJQBSA-N 1 3 341.459 1.640 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cc(F)ccc1F ZINC000103213155 272918831 /nfs/dbraw/zinc/91/88/31/272918831.db2.gz JPSPOYOXDMTHHL-UHFFFAOYSA-N 1 3 327.419 1.849 20 0 EDADHO CCN(C(=O)CNCCOC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453922 276061785 /nfs/dbraw/zinc/06/17/85/276061785.db2.gz NJOVKQRLUOZKLQ-SJLPKXTDSA-N 1 3 333.476 1.906 20 0 EDADHO CCN(C(=O)CNCCOC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453922 276061786 /nfs/dbraw/zinc/06/17/86/276061786.db2.gz NJOVKQRLUOZKLQ-SJLPKXTDSA-N 1 3 333.476 1.906 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000416995222 276196964 /nfs/dbraw/zinc/19/69/64/276196964.db2.gz SQWUEQSYXBQXBG-JKSUJKDBSA-N 1 3 347.507 1.359 20 0 EDADHO CCO[C@H]1C[C@](CO)([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000337476497 276366753 /nfs/dbraw/zinc/36/67/53/276366753.db2.gz SKLATODKRCOMAY-PKOBYXMFSA-N 1 3 341.540 1.558 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000433450987 276370913 /nfs/dbraw/zinc/37/09/13/276370913.db2.gz AXAPUVZKNACQFA-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000433450987 276370916 /nfs/dbraw/zinc/37/09/16/276370916.db2.gz AXAPUVZKNACQFA-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415946052 277085631 /nfs/dbraw/zinc/08/56/31/277085631.db2.gz MOBPVGUDDJRVRI-SFHVURJKSA-N 1 3 332.448 1.974 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369028038 277150457 /nfs/dbraw/zinc/15/04/57/277150457.db2.gz NDYPKEYTZUSUJM-JKSUJKDBSA-N 1 3 338.496 1.412 20 0 EDADHO COCCCN(C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790786 277205615 /nfs/dbraw/zinc/20/56/15/277205615.db2.gz XYOFULPXMUCNER-HKUYNNGSSA-N 1 3 333.476 1.800 20 0 EDADHO CS(=O)(=O)c1ccc(OCCCN[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424277432 278120394 /nfs/dbraw/zinc/12/03/94/278120394.db2.gz AILLWUGLWRHXMY-HZPDHXFCSA-N 1 3 326.462 1.719 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358317081 279071272 /nfs/dbraw/zinc/07/12/72/279071272.db2.gz KDUNTFBDPYSWGW-BHYGNILZSA-N 1 3 325.497 1.601 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000344551503 279130225 /nfs/dbraw/zinc/13/02/25/279130225.db2.gz RNJRCWLGJQYGMK-JKSUJKDBSA-N 1 3 328.501 1.109 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000372750856 279181411 /nfs/dbraw/zinc/18/14/11/279181411.db2.gz LEUOYAQKTBUFFE-GOSISDBHSA-N 1 3 337.508 1.964 20 0 EDADHO CCN1CCCN(c2cncc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000342205515 279291840 /nfs/dbraw/zinc/29/18/40/279291840.db2.gz MSWZVIICZRCMQB-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CCN1CCCN(c2cncc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000342205515 279291841 /nfs/dbraw/zinc/29/18/41/279291841.db2.gz MSWZVIICZRCMQB-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237603947 288151749 /nfs/dbraw/zinc/15/17/49/288151749.db2.gz LYHCRDQTHQJEME-CYGHRXIMSA-N 1 3 337.508 1.852 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834550 288152778 /nfs/dbraw/zinc/15/27/78/288152778.db2.gz WGSUHYKPPNDTOH-FCEWJHQRSA-N 1 3 349.519 1.676 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360748575 288301926 /nfs/dbraw/zinc/30/19/26/288301926.db2.gz WZGQYPLGMXPOOV-IIAWOOMASA-N 1 3 326.510 1.302 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360748575 288301928 /nfs/dbraw/zinc/30/19/28/288301928.db2.gz WZGQYPLGMXPOOV-IIAWOOMASA-N 1 3 326.510 1.302 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000362945499 289226110 /nfs/dbraw/zinc/22/61/10/289226110.db2.gz SOZZYWVNNRWXME-KRWDZBQOSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000362945499 289226112 /nfs/dbraw/zinc/22/61/12/289226112.db2.gz SOZZYWVNNRWXME-KRWDZBQOSA-N 1 3 333.476 1.715 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000454714031 290234267 /nfs/dbraw/zinc/23/42/67/290234267.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 1 3 328.460 1.777 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000454714031 290234268 /nfs/dbraw/zinc/23/42/68/290234268.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 1 3 328.460 1.777 20 0 EDADHO COCC[NH2+]CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000418508007 304505726 /nfs/dbraw/zinc/50/57/26/304505726.db2.gz LRJWDVMNLQETBO-UHFFFAOYSA-N 1 3 349.479 1.175 20 0 EDADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1ccc(F)cc1 ZINC000375921982 295323954 /nfs/dbraw/zinc/32/39/54/295323954.db2.gz LGMGZCAJTOKOGF-ITQYTPKQSA-N 1 3 331.435 1.859 20 0 EDADHO N[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290358 295343198 /nfs/dbraw/zinc/34/31/98/295343198.db2.gz OMTIGUUNTKLDME-ZWKOTPCHSA-N 1 3 331.460 1.602 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000420475425 304763414 /nfs/dbraw/zinc/76/34/14/304763414.db2.gz WRWKNKYRSITYTE-CABCVRRESA-N 1 3 325.478 1.544 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000293957250 303044144 /nfs/dbraw/zinc/04/41/44/303044144.db2.gz STOGYEIMZDUEQT-GOSISDBHSA-N 1 3 332.448 1.190 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccn1 ZINC000293957250 303044145 /nfs/dbraw/zinc/04/41/45/303044145.db2.gz STOGYEIMZDUEQT-GOSISDBHSA-N 1 3 332.448 1.190 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228943 304890036 /nfs/dbraw/zinc/89/00/36/304890036.db2.gz GAJDFPPSWKJMOQ-CQSZACIVSA-N 1 3 326.448 1.826 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423733864 304906895 /nfs/dbraw/zinc/90/68/95/304906895.db2.gz ABTBWJLMEOLTRG-SFHVURJKSA-N 1 3 348.491 1.196 20 0 EDADHO COCCN(C)CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428947569 305020712 /nfs/dbraw/zinc/02/07/12/305020712.db2.gz PGGJCLRYYGYNAQ-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CCOC[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000430180851 305047190 /nfs/dbraw/zinc/04/71/90/305047190.db2.gz SBUAAMOULKSKOP-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCOC[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000430180851 305047191 /nfs/dbraw/zinc/04/71/91/305047191.db2.gz SBUAAMOULKSKOP-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COc1cc(CN(C)C2CC(O)C2)cc(C[N@H+](C)C2CC(O)C2)c1 ZINC000432866006 305096429 /nfs/dbraw/zinc/09/64/29/305096429.db2.gz QQIDDDVYJOLIMM-UHFFFAOYSA-N 1 3 334.460 1.605 20 0 EDADHO COc1cc(CN(C)C2CC(O)C2)cc(C[N@@H+](C)C2CC(O)C2)c1 ZINC000432866006 305096430 /nfs/dbraw/zinc/09/64/30/305096430.db2.gz QQIDDDVYJOLIMM-UHFFFAOYSA-N 1 3 334.460 1.605 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241957 305154810 /nfs/dbraw/zinc/15/48/10/305154810.db2.gz UFNXCRJPUWYUNB-ZDUSSCGKSA-N 1 3 332.423 1.984 20 0 EDADHO CCCN(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC000441455416 305222275 /nfs/dbraw/zinc/22/22/75/305222275.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC000441455416 305222276 /nfs/dbraw/zinc/22/22/76/305222276.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC000441455416 305222277 /nfs/dbraw/zinc/22/22/77/305222277.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC000441455416 305222278 /nfs/dbraw/zinc/22/22/78/305222278.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1C(=O)NC[C@H](C)N(C)C ZINC000448679367 305301242 /nfs/dbraw/zinc/30/12/42/305301242.db2.gz CJDCMNJSFBXOHL-GJZGRUSLSA-N 1 3 348.491 1.355 20 0 EDADHO Cc1ccc(C(=O)NC[C@H](C)N(C)C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000448679367 305301243 /nfs/dbraw/zinc/30/12/43/305301243.db2.gz CJDCMNJSFBXOHL-GJZGRUSLSA-N 1 3 348.491 1.355 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419694475 447353801 /nfs/dbraw/zinc/35/38/01/447353801.db2.gz JMTUBGUQABACJH-HNNXBMFYSA-N 1 3 340.512 1.247 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000515026506 305712557 /nfs/dbraw/zinc/71/25/57/305712557.db2.gz XGAGXAQQICFOQI-UHFFFAOYSA-N 1 3 347.503 1.991 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543712323 306067587 /nfs/dbraw/zinc/06/75/87/306067587.db2.gz LTLQWVYOSKUQGI-KRWDZBQOSA-N 1 3 334.464 1.477 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545176406 306081132 /nfs/dbraw/zinc/08/11/32/306081132.db2.gz KACVIRSDRVFRLY-RKVPGOIHSA-N 1 3 340.512 1.109 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC[C@H]1CCCCO1 ZINC000545493957 306085319 /nfs/dbraw/zinc/08/53/19/306085319.db2.gz KKLGKRJCWVRPQC-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNCCC(=O)NC(N)=O)cc2)C1 ZINC000554596873 306196080 /nfs/dbraw/zinc/19/60/80/306196080.db2.gz PJOYEVRQPMIXNM-GASCZTMLSA-N 1 3 346.475 1.839 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNCCC(=O)NC(N)=O)cc2)C1 ZINC000554596873 306196081 /nfs/dbraw/zinc/19/60/81/306196081.db2.gz PJOYEVRQPMIXNM-GASCZTMLSA-N 1 3 346.475 1.839 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816528 447370573 /nfs/dbraw/zinc/37/05/73/447370573.db2.gz HYNGMNONFPRLTL-CEXWTWQISA-N 1 3 329.488 1.911 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419771748 447403059 /nfs/dbraw/zinc/40/30/59/447403059.db2.gz GYGNIMAZUPDZBC-GJZGRUSLSA-N 1 3 340.512 1.055 20 0 EDADHO CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663470159 453803932 /nfs/dbraw/zinc/80/39/32/453803932.db2.gz SPHHFOLAHMCDAS-OAHLLOKOSA-N 1 3 329.510 1.122 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105205416 441242296 /nfs/dbraw/zinc/24/22/96/441242296.db2.gz MWBKXZCFJOUCSR-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000074110120 441395490 /nfs/dbraw/zinc/39/54/90/441395490.db2.gz ZYUOYBLLVLGFMT-INIZCTEOSA-N 1 3 338.496 1.415 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415439063 447441128 /nfs/dbraw/zinc/44/11/28/447441128.db2.gz CFHHPISJJNPCFG-CABCVRRESA-N 1 3 332.448 1.239 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000137260516 441760379 /nfs/dbraw/zinc/76/03/79/441760379.db2.gz GGZRCEWRNLWBCX-UHFFFAOYSA-N 1 3 348.491 1.874 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000158928199 441773326 /nfs/dbraw/zinc/77/33/26/441773326.db2.gz PQJXQKCIFFKELW-FQEVSTJZSA-N 1 3 342.487 1.654 20 0 EDADHO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000121934002 441814111 /nfs/dbraw/zinc/81/41/11/441814111.db2.gz FNYXKWDFFSQKBB-KRWDZBQOSA-N 1 3 327.476 1.809 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173949925 441867749 /nfs/dbraw/zinc/86/77/49/441867749.db2.gz CBUAVPZJMYWNLO-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173949925 441867754 /nfs/dbraw/zinc/86/77/54/441867754.db2.gz CBUAVPZJMYWNLO-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccnc1 ZINC000173694918 441825667 /nfs/dbraw/zinc/82/56/67/441825667.db2.gz ZSCSPVWNIJFXNJ-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1cccnc1 ZINC000173694918 441825674 /nfs/dbraw/zinc/82/56/74/441825674.db2.gz ZSCSPVWNIJFXNJ-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO COCCN(C)CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175719767 442110948 /nfs/dbraw/zinc/11/09/48/442110948.db2.gz HNXFCXNULVHIKM-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000175772032 442119371 /nfs/dbraw/zinc/11/93/71/442119371.db2.gz PLZXNQPWNIBUSL-QGZVFWFLSA-N 1 3 341.544 1.099 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000176085711 442173512 /nfs/dbraw/zinc/17/35/12/442173512.db2.gz HZAQQFCLBKEWQL-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000176085711 442173515 /nfs/dbraw/zinc/17/35/15/442173515.db2.gz HZAQQFCLBKEWQL-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)cc1C ZINC000127131253 442174328 /nfs/dbraw/zinc/17/43/28/442174328.db2.gz SVAHMDCOXWQLQH-OAHLLOKOSA-N 1 3 334.464 1.171 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1c[nH]c(=O)cc1C ZINC000127131253 442174331 /nfs/dbraw/zinc/17/43/31/442174331.db2.gz SVAHMDCOXWQLQH-OAHLLOKOSA-N 1 3 334.464 1.171 20 0 EDADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)N1CCN(C)CC1 ZINC000127328023 442193871 /nfs/dbraw/zinc/19/38/71/442193871.db2.gz RKLKTDPQFYPMCS-MSOLQXFVSA-N 1 3 348.535 1.914 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000153491107 442285260 /nfs/dbraw/zinc/28/52/60/442285260.db2.gz SWQMEZCMVHTASN-INIZCTEOSA-N 1 3 340.512 1.207 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000153491107 442285261 /nfs/dbraw/zinc/28/52/61/442285261.db2.gz SWQMEZCMVHTASN-INIZCTEOSA-N 1 3 340.512 1.207 20 0 EDADHO COCC[N@H+](C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000171210956 442329115 /nfs/dbraw/zinc/32/91/15/442329115.db2.gz RAKDHFXXOPRQIE-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO COCC[N@@H+](C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000171210956 442329117 /nfs/dbraw/zinc/32/91/17/442329117.db2.gz RAKDHFXXOPRQIE-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO CC(=O)NCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484864 442347858 /nfs/dbraw/zinc/34/78/58/442347858.db2.gz SFGUAKZAAQSUEM-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2c1OCO2 ZINC000153954510 442312963 /nfs/dbraw/zinc/31/29/63/442312963.db2.gz PSVFAPJRTRHZRU-UHFFFAOYSA-N 1 3 336.436 1.050 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221078 442315372 /nfs/dbraw/zinc/31/53/72/442315372.db2.gz NGZGEEOETQHASF-CVEARBPZSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221078 442315375 /nfs/dbraw/zinc/31/53/75/442315375.db2.gz NGZGEEOETQHASF-CVEARBPZSA-N 1 3 335.492 1.763 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccn1 ZINC000155124128 442376879 /nfs/dbraw/zinc/37/68/79/442376879.db2.gz HHLUSDJRELRTPL-UHFFFAOYSA-N 1 3 346.475 1.722 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000155256643 442384090 /nfs/dbraw/zinc/38/40/90/442384090.db2.gz RMRDYQACTBKDNH-QGZVFWFLSA-N 1 3 346.519 1.926 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000171982277 442395858 /nfs/dbraw/zinc/39/58/58/442395858.db2.gz GZWXRGWZEXCHPE-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178873973 442510044 /nfs/dbraw/zinc/51/00/44/442510044.db2.gz SMIIUMMPIYXMPZ-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC1=CC[NH2+]CC1 ZINC000186310893 442509555 /nfs/dbraw/zinc/50/95/55/442509555.db2.gz UGEJWEPVDGHTTF-UHFFFAOYSA-N 1 3 342.487 1.625 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000178777013 442481438 /nfs/dbraw/zinc/48/14/38/442481438.db2.gz ARIFRZVQZMCUCS-UHFFFAOYSA-N 1 3 345.535 1.663 20 0 EDADHO CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC1CC[NH2+]CC1 ZINC000178955398 442537475 /nfs/dbraw/zinc/53/74/75/442537475.db2.gz JQAORVNNBCYHKE-UHFFFAOYSA-N 1 3 333.432 1.718 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156730785 442514872 /nfs/dbraw/zinc/51/48/72/442514872.db2.gz NHUWKCOPVXLOCF-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cn1cccn1 ZINC000179393412 442639406 /nfs/dbraw/zinc/63/94/06/442639406.db2.gz PYUVFCVZIRIYBR-IBGZPJMESA-N 1 3 343.475 1.878 20 0 EDADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H](O)Cn1cccn1 ZINC000179393412 442639412 /nfs/dbraw/zinc/63/94/12/442639412.db2.gz PYUVFCVZIRIYBR-IBGZPJMESA-N 1 3 343.475 1.878 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000192776699 442685249 /nfs/dbraw/zinc/68/52/49/442685249.db2.gz LKHKURRZONBJCV-GOSISDBHSA-N 1 3 334.512 1.406 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000192776699 442685252 /nfs/dbraw/zinc/68/52/52/442685252.db2.gz LKHKURRZONBJCV-GOSISDBHSA-N 1 3 334.512 1.406 20 0 EDADHO COC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000187882076 442696412 /nfs/dbraw/zinc/69/64/12/442696412.db2.gz GYTUJLMUQAWLSF-JZXOWHBKSA-N 1 3 328.497 1.907 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000193399857 442738817 /nfs/dbraw/zinc/73/88/17/442738817.db2.gz MYYLONNYAFOKOH-TXQGORRRSA-N 1 3 339.524 1.576 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000193399857 442738818 /nfs/dbraw/zinc/73/88/18/442738818.db2.gz MYYLONNYAFOKOH-TXQGORRRSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@H](CCNC(=O)c1[nH]nc2c1CNCC2)[N@H+](C)Cc1ccccc1 ZINC000188791242 442814182 /nfs/dbraw/zinc/81/41/82/442814182.db2.gz GYWQRTOQZIYWBY-CQSZACIVSA-N 1 3 341.459 1.696 20 0 EDADHO C[C@H](CCNC(=O)c1[nH]nc2c1CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000188791242 442814186 /nfs/dbraw/zinc/81/41/86/442814186.db2.gz GYWQRTOQZIYWBY-CQSZACIVSA-N 1 3 341.459 1.696 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000247648796 442863492 /nfs/dbraw/zinc/86/34/92/442863492.db2.gz VZBMMWNJUZMQBN-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO C[NH+](C)C/C=C/C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000265676650 442875714 /nfs/dbraw/zinc/87/57/14/442875714.db2.gz IKFZSZIDPKQTTP-ONEGZZNKSA-N 1 3 331.460 1.377 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274406 443174081 /nfs/dbraw/zinc/17/40/81/443174081.db2.gz TZCMFNSBQPJNCI-JKIFEVAISA-N 1 3 336.455 1.876 20 0 EDADHO N[C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046406 443181739 /nfs/dbraw/zinc/18/17/39/443181739.db2.gz QPFZBCRMXDCLEG-ZIAGYGMSSA-N 1 3 344.381 1.029 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)N3CCNCC3)C2)CC1 ZINC000262158522 443184726 /nfs/dbraw/zinc/18/47/26/443184726.db2.gz PRFOUDRLDUYRRY-GOSISDBHSA-N 1 3 336.524 1.252 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649104 443197316 /nfs/dbraw/zinc/19/73/16/443197316.db2.gz FDXGCKHRLFYMIZ-RBUKOAKNSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649104 443197320 /nfs/dbraw/zinc/19/73/20/443197320.db2.gz FDXGCKHRLFYMIZ-RBUKOAKNSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649104 443197327 /nfs/dbraw/zinc/19/73/27/443197327.db2.gz FDXGCKHRLFYMIZ-RBUKOAKNSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266649104 443197332 /nfs/dbraw/zinc/19/73/32/443197332.db2.gz FDXGCKHRLFYMIZ-RBUKOAKNSA-N 1 3 340.471 1.917 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236995681 443156033 /nfs/dbraw/zinc/15/60/33/443156033.db2.gz ZBWFLLMPIZZXPK-QGZVFWFLSA-N 1 3 344.503 1.948 20 0 EDADHO CC[C@H](N)C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000269228230 443242039 /nfs/dbraw/zinc/24/20/39/443242039.db2.gz FZKGZCXLFIDVTN-HNNXBMFYSA-N 1 3 337.464 1.769 20 0 EDADHO CCN(C)c1ccc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)cn1 ZINC000190952958 443213960 /nfs/dbraw/zinc/21/39/60/443213960.db2.gz MKJXCRBIEOXEDT-KRWDZBQOSA-N 1 3 333.524 1.901 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269249726 443250737 /nfs/dbraw/zinc/25/07/37/443250737.db2.gz GQOXVHMHLCISNP-BHIYHBOVSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269249726 443250740 /nfs/dbraw/zinc/25/07/40/443250740.db2.gz GQOXVHMHLCISNP-BHIYHBOVSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269250828 443250913 /nfs/dbraw/zinc/25/09/13/443250913.db2.gz GQOXVHMHLCISNP-NZSAHSFTSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269250828 443250915 /nfs/dbraw/zinc/25/09/15/443250915.db2.gz GQOXVHMHLCISNP-NZSAHSFTSA-N 1 3 345.487 1.782 20 0 EDADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000397493101 319134989 /nfs/dbraw/zinc/13/49/89/319134989.db2.gz BFZHBYXJLPYYFX-OAHLLOKOSA-N 1 3 343.512 1.830 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)[C@H]2CCC[C@@H]2C)CC1 ZINC000411628655 319190927 /nfs/dbraw/zinc/19/09/27/319190927.db2.gz WZEZBJOIEFXGOD-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321130 319324774 /nfs/dbraw/zinc/32/47/74/319324774.db2.gz DNOYMDGFNKYHMT-IBGZPJMESA-N 1 3 345.487 1.899 20 0 EDADHO CC(C)(CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCCCC1 ZINC000414664025 319338527 /nfs/dbraw/zinc/33/85/27/319338527.db2.gz SROVWGWDAMFRME-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000416827679 319464602 /nfs/dbraw/zinc/46/46/02/319464602.db2.gz RJWYOCCWPBLNBC-QAPCUYQASA-N 1 3 346.475 1.741 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)CCCO1 ZINC000278420308 443325154 /nfs/dbraw/zinc/32/51/54/443325154.db2.gz GCTZMRHXFSBSOU-INIZCTEOSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)CCCO1 ZINC000278420308 443325157 /nfs/dbraw/zinc/32/51/57/443325157.db2.gz GCTZMRHXFSBSOU-INIZCTEOSA-N 1 3 333.476 1.979 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000418447227 319501426 /nfs/dbraw/zinc/50/14/26/319501426.db2.gz QEIDYBRQBCOBIG-NVXWUHKLSA-N 1 3 336.480 1.971 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418793638 319512405 /nfs/dbraw/zinc/51/24/05/319512405.db2.gz ORNRNTATHUIFBO-BZUAXINKSA-N 1 3 334.464 1.741 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590243 443375393 /nfs/dbraw/zinc/37/53/93/443375393.db2.gz RVJCWPVCWSQHNO-NVXWUHKLSA-N 1 3 341.459 1.640 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590243 443375395 /nfs/dbraw/zinc/37/53/95/443375395.db2.gz RVJCWPVCWSQHNO-NVXWUHKLSA-N 1 3 341.459 1.640 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278708807 443409602 /nfs/dbraw/zinc/40/96/02/443409602.db2.gz PQCVJBJRQSOMQO-QGZVFWFLSA-N 1 3 348.491 1.594 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278708807 443409608 /nfs/dbraw/zinc/40/96/08/443409608.db2.gz PQCVJBJRQSOMQO-QGZVFWFLSA-N 1 3 348.491 1.594 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](CO)c2ccsc2)CC[NH2+]CC1 ZINC000423049644 319749250 /nfs/dbraw/zinc/74/92/50/319749250.db2.gz KCEOFKQCBVLIIA-TZMCWYRMSA-N 1 3 326.462 1.693 20 0 EDADHO N[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423403446 319771798 /nfs/dbraw/zinc/77/17/98/319771798.db2.gz HRFIEZHOAKQMNG-SFHVURJKSA-N 1 3 331.460 1.905 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H](C)[NH3+] ZINC000423452975 319777596 /nfs/dbraw/zinc/77/75/96/319777596.db2.gz ZTMUYCDDQJEWTI-HNAYVOBHSA-N 1 3 347.503 1.879 20 0 EDADHO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000273401606 443570405 /nfs/dbraw/zinc/57/04/05/443570405.db2.gz KOYUHDYALHMART-LJQANCHMSA-N 1 3 338.455 1.984 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000440225301 320065315 /nfs/dbraw/zinc/06/53/15/320065315.db2.gz IOVHFSWAKJYNCS-SJORKVTESA-N 1 3 340.512 1.346 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CCSC1 ZINC000440843672 320082974 /nfs/dbraw/zinc/08/29/74/320082974.db2.gz LPNQWMAHAVCAOZ-VMBOVVBDSA-N 1 3 342.553 1.843 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449727271 320202422 /nfs/dbraw/zinc/20/24/22/320202422.db2.gz PCQZSQXIWNFKSN-RDJZCZTQSA-N 1 3 330.476 1.686 20 0 EDADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc(F)c(F)c1 ZINC000298218915 443723130 /nfs/dbraw/zinc/72/31/30/443723130.db2.gz AFRAYQVHPZVPSS-AWEZNQCLSA-N 1 3 326.387 1.921 20 0 EDADHO Cn1nnc2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC000530249053 320617939 /nfs/dbraw/zinc/61/79/39/320617939.db2.gz TUWKETJMKXKHLE-MRXNPFEDSA-N 1 3 329.448 1.559 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561013275 321031332 /nfs/dbraw/zinc/03/13/32/321031332.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 1 3 340.512 1.166 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561013275 321031333 /nfs/dbraw/zinc/03/13/33/321031333.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000563897418 321115031 /nfs/dbraw/zinc/11/50/31/321115031.db2.gz PKNUNKGCJWPHOY-QZTJIDSGSA-N 1 3 337.508 1.555 20 0 EDADHO [NH3+][C@H]1CCCCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824068 321150143 /nfs/dbraw/zinc/15/01/43/321150143.db2.gz SUSTWGKRGNYOJX-DLBZAZTESA-N 1 3 345.491 1.370 20 0 EDADHO CN(C)CCn1c2cc(NC[C@@H](O)C[N@H+](C)C3CC3)ccc2oc1=O ZINC000564863139 321152860 /nfs/dbraw/zinc/15/28/60/321152860.db2.gz IFNKGTOIWRHARO-OAHLLOKOSA-N 1 3 348.447 1.023 20 0 EDADHO CN(C)CCn1c2cc(NC[C@@H](O)C[N@@H+](C)C3CC3)ccc2oc1=O ZINC000564863139 321152861 /nfs/dbraw/zinc/15/28/61/321152861.db2.gz IFNKGTOIWRHARO-OAHLLOKOSA-N 1 3 348.447 1.023 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000565312874 321181339 /nfs/dbraw/zinc/18/13/39/321181339.db2.gz MVHIKEHYOSZFGS-UHFFFAOYSA-N 1 3 346.519 1.500 20 0 EDADHO Cn1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccncc2)n1 ZINC000566974028 321238160 /nfs/dbraw/zinc/23/81/60/321238160.db2.gz UAOPHSLVSXSCGG-QGZVFWFLSA-N 1 3 341.459 1.669 20 0 EDADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1CNCCO1 ZINC000567479523 321243467 /nfs/dbraw/zinc/24/34/67/321243467.db2.gz XKMQHQBAHUHPSC-OAHLLOKOSA-N 1 3 326.485 1.319 20 0 EDADHO C[NH+](C)CCc1ccc(CNC[C@@H](O)COC2CCOCC2)cc1 ZINC000567892454 321266338 /nfs/dbraw/zinc/26/63/38/321266338.db2.gz ZEKXJPRAMGCPBH-GOSISDBHSA-N 1 3 336.476 1.437 20 0 EDADHO C[C@]1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000570815142 321360097 /nfs/dbraw/zinc/36/00/97/321360097.db2.gz ANXQIVFMZKEFTK-IBGZPJMESA-N 1 3 345.491 1.987 20 0 EDADHO COCCCNC(=O)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000571648218 321394825 /nfs/dbraw/zinc/39/48/25/321394825.db2.gz HBJYFZPMNKWTMX-UHFFFAOYSA-N 1 3 345.487 1.697 20 0 EDADHO C[C@H](C(=O)NCc1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289351343 444114783 /nfs/dbraw/zinc/11/47/83/444114783.db2.gz GEHYKCDXXCELKB-QGZVFWFLSA-N 1 3 334.508 1.507 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000289451363 444147990 /nfs/dbraw/zinc/14/79/90/444147990.db2.gz NDVHMOBNSDEULD-ULQDDVLXSA-N 1 3 334.460 1.768 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000289451363 444147995 /nfs/dbraw/zinc/14/79/95/444147995.db2.gz NDVHMOBNSDEULD-ULQDDVLXSA-N 1 3 334.460 1.768 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)CN2CCOCC2)c1 ZINC000574684661 321495625 /nfs/dbraw/zinc/49/56/25/321495625.db2.gz QMLBCKGMURXBSO-LJQANCHMSA-N 1 3 335.492 1.311 20 0 EDADHO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000304316007 444246690 /nfs/dbraw/zinc/24/66/90/444246690.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 1 3 347.503 1.133 20 0 EDADHO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000304316007 444246693 /nfs/dbraw/zinc/24/66/93/444246693.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 1 3 347.503 1.133 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000290153164 444248637 /nfs/dbraw/zinc/24/86/37/444248637.db2.gz NKNXZZBNPVQIOZ-RTBURBONSA-N 1 3 344.503 1.438 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000576758333 321593790 /nfs/dbraw/zinc/59/37/90/321593790.db2.gz NBWMZICYAZQQEL-GJZGRUSLSA-N 1 3 331.464 1.680 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CO)COC2)CC1 ZINC000305177929 444263037 /nfs/dbraw/zinc/26/30/37/444263037.db2.gz GTHPWXRVVBRGGQ-UHFFFAOYSA-N 1 3 333.476 1.317 20 0 EDADHO COC(=O)COC[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296520943 444236126 /nfs/dbraw/zinc/23/61/26/444236126.db2.gz SCEJCFHEHOTYIJ-INIZCTEOSA-N 1 3 349.475 1.102 20 0 EDADHO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000304304841 444245845 /nfs/dbraw/zinc/24/58/45/444245845.db2.gz IXJOBAMADKEKJX-IRXDYDNUSA-N 1 3 325.497 1.460 20 0 EDADHO Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000577720890 321676159 /nfs/dbraw/zinc/67/61/59/321676159.db2.gz ZSBDCEGUUFNSKL-CQSZACIVSA-N 1 3 334.468 1.722 20 0 EDADHO C[N@H+]1CC=C(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796304 444324081 /nfs/dbraw/zinc/32/40/81/444324081.db2.gz VCIJFYCCKHEGMP-KRWDZBQOSA-N 1 3 335.473 1.563 20 0 EDADHO C[N@@H+]1CC=C(CN[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796304 444324083 /nfs/dbraw/zinc/32/40/83/444324083.db2.gz VCIJFYCCKHEGMP-KRWDZBQOSA-N 1 3 335.473 1.563 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N2CCN[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000578171646 321732779 /nfs/dbraw/zinc/73/27/79/321732779.db2.gz OPKMTCNNYSBFSN-CRAIPNDOSA-N 1 3 346.475 1.835 20 0 EDADHO C[C@]1(C[NH3+])CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000337978830 444478282 /nfs/dbraw/zinc/47/82/82/444478282.db2.gz KVGGQTXPXDRMRW-HXUWFJFHSA-N 1 3 344.503 1.786 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c2)CC1 ZINC000580821235 322099352 /nfs/dbraw/zinc/09/93/52/322099352.db2.gz KNKOEWQTFNHOSS-VQFNDLOPSA-N 1 3 343.475 1.476 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000580832236 322101274 /nfs/dbraw/zinc/10/12/74/322101274.db2.gz TXPJSRDZJDTCGR-DAYGRLMNSA-N 1 3 334.464 1.048 20 0 EDADHO CC[NH+]1CCC(NC(=O)CNC2(CC(=O)OC)CCCCC2)CC1 ZINC000581653428 322203786 /nfs/dbraw/zinc/20/37/86/322203786.db2.gz SOCITTQCHKOVMX-UHFFFAOYSA-N 1 3 339.480 1.443 20 0 EDADHO O=C(NC1CCN(C2CCCC2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343769609 444578137 /nfs/dbraw/zinc/57/81/37/444578137.db2.gz ANJWSVHEKDWFEE-GOOCMWNKSA-N 1 3 333.476 1.324 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000343856812 444630497 /nfs/dbraw/zinc/63/04/97/444630497.db2.gz ZDYYTTSBHFJWDW-HOCLYGCPSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000341187155 444717629 /nfs/dbraw/zinc/71/76/29/444717629.db2.gz CGNCYVIZQDBDQF-HUUCEWRRSA-N 1 3 326.485 1.221 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000341188713 444718486 /nfs/dbraw/zinc/71/84/86/444718486.db2.gz YCMUGFDGFXXRGE-FUHWJXTLSA-N 1 3 348.491 1.143 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341207602 444729624 /nfs/dbraw/zinc/72/96/24/444729624.db2.gz UFGVUAUBBOXRBI-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000344061536 444758464 /nfs/dbraw/zinc/75/84/64/444758464.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 1 3 344.503 1.403 20 0 EDADHO C[C@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000344061536 444758467 /nfs/dbraw/zinc/75/84/67/444758467.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 1 3 344.503 1.403 20 0 EDADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344063323 444759601 /nfs/dbraw/zinc/75/96/01/444759601.db2.gz NKAWEBNFQKEGSY-KURKYZTESA-N 1 3 340.556 1.885 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341437868 444831543 /nfs/dbraw/zinc/83/15/43/444831543.db2.gz FBHOUJHLADVBJN-SFHVURJKSA-N 1 3 345.535 1.662 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000344235890 444855656 /nfs/dbraw/zinc/85/56/56/444855656.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@H+]1C ZINC000344235890 444855658 /nfs/dbraw/zinc/85/56/58/444855658.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 1 3 345.487 1.600 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000337320530 445031983 /nfs/dbraw/zinc/03/19/83/445031983.db2.gz PEYLTSWAINDHOK-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000337320530 445031985 /nfs/dbraw/zinc/03/19/85/445031985.db2.gz PEYLTSWAINDHOK-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000342050425 445145186 /nfs/dbraw/zinc/14/51/86/445145186.db2.gz QXQLQEVULZVZBD-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000342050425 445145192 /nfs/dbraw/zinc/14/51/92/445145192.db2.gz QXQLQEVULZVZBD-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547856 445149445 /nfs/dbraw/zinc/14/94/45/445149445.db2.gz VOVRBHZETIOGGA-HFTRVMKXSA-N 1 3 334.508 1.842 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)CN1CCCC1=O ZINC000348323710 445256966 /nfs/dbraw/zinc/25/69/66/445256966.db2.gz SKACPXSVKHTLRX-BBWFWOEESA-N 1 3 325.497 1.460 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000348323710 445256971 /nfs/dbraw/zinc/25/69/71/445256971.db2.gz SKACPXSVKHTLRX-BBWFWOEESA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000343680075 445299124 /nfs/dbraw/zinc/29/91/24/445299124.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000343680075 445299128 /nfs/dbraw/zinc/29/91/28/445299128.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000343680075 445299132 /nfs/dbraw/zinc/29/91/32/445299132.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000343680075 445299135 /nfs/dbraw/zinc/29/91/35/445299135.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO OCCN1CCN(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237426 445324875 /nfs/dbraw/zinc/32/48/75/445324875.db2.gz CZLBLDSLYYIMIX-VQTJNVASSA-N 1 3 331.504 1.770 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000352124948 445508560 /nfs/dbraw/zinc/50/85/60/445508560.db2.gz CAENSIZAEVNWLX-FQEVSTJZSA-N 1 3 347.503 1.718 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126381 445510071 /nfs/dbraw/zinc/51/00/71/445510071.db2.gz SHDOKXJWQPYRIU-UYAOXDASSA-N 1 3 347.503 1.718 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126381 445510075 /nfs/dbraw/zinc/51/00/75/445510075.db2.gz SHDOKXJWQPYRIU-UYAOXDASSA-N 1 3 347.503 1.718 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000349060666 445491733 /nfs/dbraw/zinc/49/17/33/445491733.db2.gz VLLJJCFNULTYLM-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000349060666 445491736 /nfs/dbraw/zinc/49/17/36/445491736.db2.gz VLLJJCFNULTYLM-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000357236529 445499045 /nfs/dbraw/zinc/49/90/45/445499045.db2.gz FLGDEGXEJVOXOV-GUYCJALGSA-N 1 3 325.416 1.103 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000357876886 445588222 /nfs/dbraw/zinc/58/82/22/445588222.db2.gz YXDOVWQATARMFO-GJZGRUSLSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111335 445604822 /nfs/dbraw/zinc/60/48/22/445604822.db2.gz LPDUAXKZZKKSQR-CVEARBPZSA-N 1 3 345.491 1.868 20 0 EDADHO C[C@@H](NC(=O)NCCNc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111335 445604825 /nfs/dbraw/zinc/60/48/25/445604825.db2.gz LPDUAXKZZKKSQR-CVEARBPZSA-N 1 3 345.491 1.868 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)N(C)CCN(C)C)CCCC2)CC1 ZINC000356102628 445622894 /nfs/dbraw/zinc/62/28/94/445622894.db2.gz XKZJMQSRWAIKBP-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353497584 445628485 /nfs/dbraw/zinc/62/84/85/445628485.db2.gz DIUMTVLFIGUWTB-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO CO[C@@H](CN)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000353506699 445634847 /nfs/dbraw/zinc/63/48/47/445634847.db2.gz DJJHGTWRAIADHZ-INIZCTEOSA-N 1 3 348.447 1.413 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353403154 445592648 /nfs/dbraw/zinc/59/26/48/445592648.db2.gz LLNPSQBWHAKMER-QYZOEREBSA-N 1 3 348.535 1.393 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353403154 445592652 /nfs/dbraw/zinc/59/26/52/445592652.db2.gz LLNPSQBWHAKMER-QYZOEREBSA-N 1 3 348.535 1.393 20 0 EDADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575786 445662526 /nfs/dbraw/zinc/66/25/26/445662526.db2.gz DIXNBSKJVKERCR-GDBMZVCRSA-N 1 3 325.497 1.900 20 0 EDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000353576325 445663324 /nfs/dbraw/zinc/66/33/24/445663324.db2.gz FPBAIGUQXOEAIA-DOTOQJQBSA-N 1 3 346.475 1.840 20 0 EDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000353576325 445663330 /nfs/dbraw/zinc/66/33/30/445663330.db2.gz FPBAIGUQXOEAIA-DOTOQJQBSA-N 1 3 346.475 1.840 20 0 EDADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCNc1ccncc1 ZINC000356202934 445673496 /nfs/dbraw/zinc/67/34/96/445673496.db2.gz IJPFASCZIGOIII-OWCLPIDISA-N 1 3 333.480 1.581 20 0 EDADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCNc1ccncc1 ZINC000356202934 445673499 /nfs/dbraw/zinc/67/34/99/445673499.db2.gz IJPFASCZIGOIII-OWCLPIDISA-N 1 3 333.480 1.581 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000353618996 445679060 /nfs/dbraw/zinc/67/90/60/445679060.db2.gz HOTBUZXFUUPYSC-UHFFFAOYSA-N 1 3 345.487 1.905 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000356216432 445679621 /nfs/dbraw/zinc/67/96/21/445679621.db2.gz BEQGUQZXJSSZQT-IRXDYDNUSA-N 1 3 342.528 1.574 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358695763 445722397 /nfs/dbraw/zinc/72/23/97/445722397.db2.gz ADWHGKFSADBJER-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358695763 445722401 /nfs/dbraw/zinc/72/24/01/445722401.db2.gz ADWHGKFSADBJER-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCN1C(=O)NC(C)(C)C1=O ZINC000360958871 445740455 /nfs/dbraw/zinc/74/04/55/445740455.db2.gz RNTZKFVQGISFBH-GJZGRUSLSA-N 1 3 338.496 1.807 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000363358624 445779957 /nfs/dbraw/zinc/77/99/57/445779957.db2.gz HYZJEAXBTQNCQM-ZWKOTPCHSA-N 1 3 347.507 1.972 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000363655098 445863854 /nfs/dbraw/zinc/86/38/54/445863854.db2.gz AVXUEGBOKWUAIB-GOSISDBHSA-N 1 3 336.524 1.491 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000361774409 445933745 /nfs/dbraw/zinc/93/37/45/445933745.db2.gz SGOCQYMDGHMYKE-WBVHZDCISA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000361774409 445933748 /nfs/dbraw/zinc/93/37/48/445933748.db2.gz SGOCQYMDGHMYKE-WBVHZDCISA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000354137630 445936280 /nfs/dbraw/zinc/93/62/80/445936280.db2.gz FWVDTLGBMKYVBR-INIZCTEOSA-N 1 3 327.494 1.742 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000361820428 445976493 /nfs/dbraw/zinc/97/64/93/445976493.db2.gz ZGQUKUMELLTVEW-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)n1 ZINC000361820428 445976496 /nfs/dbraw/zinc/97/64/96/445976496.db2.gz ZGQUKUMELLTVEW-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000582726101 325913125 /nfs/dbraw/zinc/91/31/25/325913125.db2.gz NEGCNLKZKUYZPE-XHSDSOJGSA-N 1 3 340.512 1.101 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000373102506 446028952 /nfs/dbraw/zinc/02/89/52/446028952.db2.gz AHYRENMZJIQGOX-SJORKVTESA-N 1 3 336.480 1.023 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000583132972 326007846 /nfs/dbraw/zinc/00/78/46/326007846.db2.gz OZQWWYIKRRMYGH-LPHOPBHVSA-N 1 3 344.503 1.991 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569695 326097764 /nfs/dbraw/zinc/09/77/64/326097764.db2.gz JPEHJSMRRWNEFO-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CNCc2ccccc21 ZINC000583750897 326132539 /nfs/dbraw/zinc/13/25/39/326132539.db2.gz RZWHNMUJLBGYDO-HNAYVOBHSA-N 1 3 343.471 1.491 20 0 EDADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000356848926 446068696 /nfs/dbraw/zinc/06/86/96/446068696.db2.gz PIOKNRGENPWNDV-QAPCUYQASA-N 1 3 333.476 1.883 20 0 EDADHO COC(=O)c1coc([C@@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174179 446074145 /nfs/dbraw/zinc/07/41/45/446074145.db2.gz SRBMJQCFCGZJCL-HIFRSBDPSA-N 1 3 335.448 1.885 20 0 EDADHO COC(=O)c1coc([C@H](C)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174182 446074481 /nfs/dbraw/zinc/07/44/81/446074481.db2.gz SRBMJQCFCGZJCL-ZFWWWQNUSA-N 1 3 335.448 1.885 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000373182165 446081654 /nfs/dbraw/zinc/08/16/54/446081654.db2.gz ZQABNHSZIFBCRI-WWGRRREGSA-N 1 3 325.478 1.611 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)C[C@H](C)O1 ZINC000369348612 446091450 /nfs/dbraw/zinc/09/14/50/446091450.db2.gz JLWGICSWNCZNHX-HLLBOEOZSA-N 1 3 336.476 1.903 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390769 446184400 /nfs/dbraw/zinc/18/44/00/446184400.db2.gz KOXNBNTVQYLFKT-FUHWJXTLSA-N 1 3 347.507 1.781 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390769 446184404 /nfs/dbraw/zinc/18/44/04/446184404.db2.gz KOXNBNTVQYLFKT-FUHWJXTLSA-N 1 3 347.507 1.781 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000366328803 446155145 /nfs/dbraw/zinc/15/51/45/446155145.db2.gz WJSVHKJSNIZFHS-SFHVURJKSA-N 1 3 330.476 1.800 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000373423628 446211457 /nfs/dbraw/zinc/21/14/57/446211457.db2.gz VHPIBVNDZAGINP-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516839 446360822 /nfs/dbraw/zinc/36/08/22/446360822.db2.gz OVOSNLJKCULPKO-SJORKVTESA-N 1 3 334.464 1.357 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000417741401 446372049 /nfs/dbraw/zinc/37/20/49/446372049.db2.gz UCHFBNYILZZWRB-QGZVFWFLSA-N 1 3 330.476 1.479 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417824643 446374367 /nfs/dbraw/zinc/37/43/67/446374367.db2.gz BHJNWOHPXYBDCH-IMJJTQAJSA-N 1 3 339.480 1.715 20 0 EDADHO CC(C)(C[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418070703 446430944 /nfs/dbraw/zinc/43/09/44/446430944.db2.gz HHPOTLDVXHMNRD-INIZCTEOSA-N 1 3 334.464 1.314 20 0 EDADHO [NH3+]CCCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418071451 446431572 /nfs/dbraw/zinc/43/15/72/446431572.db2.gz ITCXSGATDRAYLC-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370781044 446438865 /nfs/dbraw/zinc/43/88/65/446438865.db2.gz OWKHKAHOSVSPHF-DLBZAZTESA-N 1 3 330.476 1.722 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418095535 446439262 /nfs/dbraw/zinc/43/92/62/446439262.db2.gz GKKDBIHKUPNTKP-MRXNPFEDSA-N 1 3 340.512 1.646 20 0 EDADHO [NH3+]Cc1ccc(C(=O)NC2CCN(CCc3ccncc3)CC2)cc1 ZINC000370782784 446439618 /nfs/dbraw/zinc/43/96/18/446439618.db2.gz UUXWHHORCSXNNL-UHFFFAOYSA-N 1 3 338.455 1.977 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418109799 446440720 /nfs/dbraw/zinc/44/07/20/446440720.db2.gz DDJYCUMOZDBMPA-JKSUJKDBSA-N 1 3 328.501 1.502 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014357 446416415 /nfs/dbraw/zinc/41/64/15/446416415.db2.gz OEGZCGYDOKQFLV-MAUKXSAKSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@]1(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000418047533 446424579 /nfs/dbraw/zinc/42/45/79/446424579.db2.gz SSRHRBOWTYCJKL-NSHGMRRFSA-N 1 3 342.487 1.902 20 0 EDADHO COCC[C@@]1(C(=O)N2CCN(CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000370767062 446425538 /nfs/dbraw/zinc/42/55/38/446425538.db2.gz QZABDAMJLAFHRW-IBGZPJMESA-N 1 3 337.508 1.727 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000418197552 446455458 /nfs/dbraw/zinc/45/54/58/446455458.db2.gz TWWRZCZATKOWEX-DDBAPUKQSA-N 1 3 328.460 1.653 20 0 EDADHO CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420309407 446472088 /nfs/dbraw/zinc/47/20/88/446472088.db2.gz LIGVIQAGXAKOFJ-MOPGFXCFSA-N 1 3 346.519 1.870 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314996 446480107 /nfs/dbraw/zinc/48/01/07/446480107.db2.gz RIVLMVXLADQDKO-QZTJIDSGSA-N 1 3 332.492 1.479 20 0 EDADHO CCO[C@@H]1C[C@H](O)C12CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000420315104 446480251 /nfs/dbraw/zinc/48/02/51/446480251.db2.gz ZQYDCZYDEXSHTP-YTQUADARSA-N 1 3 348.487 1.989 20 0 EDADHO CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](CN)c1ccc(OC)cc1)CC2 ZINC000420315104 446480253 /nfs/dbraw/zinc/48/02/53/446480253.db2.gz ZQYDCZYDEXSHTP-YTQUADARSA-N 1 3 348.487 1.989 20 0 EDADHO COC[C@@]1(C(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000423338612 446495094 /nfs/dbraw/zinc/49/50/94/446495094.db2.gz WHLCATDGOXKTLV-MRXNPFEDSA-N 1 3 341.521 1.090 20 0 EDADHO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336410 446505896 /nfs/dbraw/zinc/50/58/96/446505896.db2.gz MIDJIYDZPCNVQE-SOUVJXGZSA-N 1 3 347.459 1.962 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)[C@H](N)c2ccccc2)n1 ZINC000423375751 446509064 /nfs/dbraw/zinc/50/90/64/446509064.db2.gz IVCMUOWIOOLXSP-MRXNPFEDSA-N 1 3 329.448 2.109 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378182 446509701 /nfs/dbraw/zinc/50/97/01/446509701.db2.gz ZKQUZDDYOLYDID-DOTOQJQBSA-N 1 3 331.460 1.707 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329722 446499756 /nfs/dbraw/zinc/49/97/56/446499756.db2.gz OVOOHIXTJXLLGX-GJZGRUSLSA-N 1 3 337.414 1.903 20 0 EDADHO CC[NH2+]CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000418328473 446501073 /nfs/dbraw/zinc/50/10/73/446501073.db2.gz SHAWAKOPLIMKPR-KRWDZBQOSA-N 1 3 333.480 1.687 20 0 EDADHO c1ccc(OCCOCCN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000420391689 446566550 /nfs/dbraw/zinc/56/65/50/446566550.db2.gz TVBYMULWYSEAOG-MOPGFXCFSA-N 1 3 346.471 1.782 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423400689 446518554 /nfs/dbraw/zinc/51/85/54/446518554.db2.gz WTKZFBOSGICWHP-MSOLQXFVSA-N 1 3 333.476 1.940 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423400689 446518557 /nfs/dbraw/zinc/51/85/57/446518557.db2.gz WTKZFBOSGICWHP-MSOLQXFVSA-N 1 3 333.476 1.940 20 0 EDADHO c1ccc(-c2noc(CCCN3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348855 446525686 /nfs/dbraw/zinc/52/56/86/446525686.db2.gz NAACGXFEBCCUFS-KRWDZBQOSA-N 1 3 341.459 1.649 20 0 EDADHO CCOC(=O)c1ccc(CN(C)CCC[NH+]2CCN(C)CC2)nc1 ZINC000411421099 446533639 /nfs/dbraw/zinc/53/36/39/446533639.db2.gz IAVNVLTWQCBLJL-UHFFFAOYSA-N 1 3 334.464 1.328 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418411720 446533974 /nfs/dbraw/zinc/53/39/74/446533974.db2.gz QNGVVGLGQLDTDJ-HLLBOEOZSA-N 1 3 340.512 1.501 20 0 EDADHO CN(C)C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106261 446545275 /nfs/dbraw/zinc/54/52/75/446545275.db2.gz YLVUWZAHIHJTJF-UAFMIMERSA-N 1 3 331.504 1.942 20 0 EDADHO COc1cccc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420369101 446548351 /nfs/dbraw/zinc/54/83/51/446548351.db2.gz BNZXDSRGZXXTNV-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO COc1cccc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000420369101 446548356 /nfs/dbraw/zinc/54/83/56/446548356.db2.gz BNZXDSRGZXXTNV-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000420369027 446549459 /nfs/dbraw/zinc/54/94/59/446549459.db2.gz BFSHVZKQMGQDLY-QGZVFWFLSA-N 1 3 345.447 1.469 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000420369027 446549464 /nfs/dbraw/zinc/54/94/64/446549464.db2.gz BFSHVZKQMGQDLY-QGZVFWFLSA-N 1 3 345.447 1.469 20 0 EDADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000453202075 446551046 /nfs/dbraw/zinc/55/10/46/446551046.db2.gz YEUACLVVTHMDMV-LPHOPBHVSA-N 1 3 348.487 1.927 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000423637244 446620234 /nfs/dbraw/zinc/62/02/34/446620234.db2.gz BZIXWRRXXMQVDI-CRAIPNDOSA-N 1 3 330.476 1.779 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418520863 446578625 /nfs/dbraw/zinc/57/86/25/446578625.db2.gz HYYVECXLCLNHFY-QRVBRYPASA-N 1 3 342.487 1.759 20 0 EDADHO Cc1ccc(CCN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405967 446580013 /nfs/dbraw/zinc/58/00/13/446580013.db2.gz QFRBQHOJRBAGMD-MOPGFXCFSA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418547563 446589623 /nfs/dbraw/zinc/58/96/23/446589623.db2.gz JFMHEURDPZKOGZ-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000418586748 446603506 /nfs/dbraw/zinc/60/35/06/446603506.db2.gz AGWMWBBSYQUTIR-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423725592 446662285 /nfs/dbraw/zinc/66/22/85/446662285.db2.gz JESQOMPWSGUWKL-APWZRJJASA-N 1 3 333.476 1.897 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000376644093 446624819 /nfs/dbraw/zinc/62/48/19/446624819.db2.gz ZLXFULBILNZMGD-QGZVFWFLSA-N 1 3 330.476 1.649 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418652081 446634429 /nfs/dbraw/zinc/63/44/29/446634429.db2.gz MKFNDZRWFFLKHI-KYHPRHEASA-N 1 3 330.476 1.936 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423757581 446687518 /nfs/dbraw/zinc/68/75/18/446687518.db2.gz LOPFAAPUUFXWDW-QAPCUYQASA-N 1 3 339.480 1.285 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418836033 446740333 /nfs/dbraw/zinc/74/03/33/446740333.db2.gz OTKPYSOTWPFPPJ-HNNXBMFYSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)CCOC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000423905863 446756360 /nfs/dbraw/zinc/75/63/60/446756360.db2.gz PSARSKFXAXHALB-SJLPKXTDSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)CCOC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000423905863 446756367 /nfs/dbraw/zinc/75/63/67/446756367.db2.gz PSARSKFXAXHALB-SJLPKXTDSA-N 1 3 345.487 1.782 20 0 EDADHO [NH3+]C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423935635 446787444 /nfs/dbraw/zinc/78/74/44/446787444.db2.gz ALECVEFOLFUSLE-IBGZPJMESA-N 1 3 344.503 1.832 20 0 EDADHO CC(=O)c1ncc(C(=O)N(CCCN(C)C)CCC[NH+](C)C)s1 ZINC000412117197 446870402 /nfs/dbraw/zinc/87/04/02/446870402.db2.gz AUNOQTZMFGNTKY-UHFFFAOYSA-N 1 3 340.493 1.691 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454533546 446903523 /nfs/dbraw/zinc/90/35/23/446903523.db2.gz WMZKECUFUDYIQU-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO COC(=O)c1ccc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)nc1 ZINC000375714625 446995445 /nfs/dbraw/zinc/99/54/45/446995445.db2.gz PKMMXIYZWNAPDD-SFHVURJKSA-N 1 3 346.475 1.470 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000372569760 447149922 /nfs/dbraw/zinc/14/99/22/447149922.db2.gz CEYRWHBUUXWLPL-SFHVURJKSA-N 1 3 344.503 1.799 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000455656674 447199165 /nfs/dbraw/zinc/19/91/65/447199165.db2.gz KTZOHPXEXILKLP-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000455656674 447199170 /nfs/dbraw/zinc/19/91/70/447199170.db2.gz KTZOHPXEXILKLP-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000455667791 447203831 /nfs/dbraw/zinc/20/38/31/447203831.db2.gz JVYMESRPAZYJQA-UHFFFAOYSA-N 1 3 336.484 1.832 20 0 EDADHO C[N@H+](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000446258627 447247532 /nfs/dbraw/zinc/24/75/32/447247532.db2.gz NVNFQQBUEQFDMA-FRQCXROJSA-N 1 3 337.508 1.900 20 0 EDADHO C[N@@H+](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000446258627 447247537 /nfs/dbraw/zinc/24/75/37/447247537.db2.gz NVNFQQBUEQFDMA-FRQCXROJSA-N 1 3 337.508 1.900 20 0 EDADHO CN(C(=O)NC1CCN(C)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368954141 447223095 /nfs/dbraw/zinc/22/30/95/447223095.db2.gz FEKMHPFBVPOIOY-UHFFFAOYSA-N 1 3 331.464 1.786 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265093 /nfs/dbraw/zinc/26/50/93/447265093.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 1 3 334.508 1.987 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265097 /nfs/dbraw/zinc/26/50/97/447265097.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]([NH2+][C@H]1CCc2nnnn2CC1)c1cccc(OCCN(C)C)c1 ZINC000421882971 447266814 /nfs/dbraw/zinc/26/68/14/447266814.db2.gz SHKPHIHSCAPNTG-ZBFHGGJFSA-N 1 3 344.463 1.669 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1CN(C)C ZINC000415452976 447449267 /nfs/dbraw/zinc/44/92/67/447449267.db2.gz UINQHSUWWWGDMR-CJNGLKHVSA-N 1 3 332.448 1.191 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707199 447458411 /nfs/dbraw/zinc/45/84/11/447458411.db2.gz NXHHNILPFMXBMY-QGZVFWFLSA-N 1 3 338.496 1.007 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415506321 447485679 /nfs/dbraw/zinc/48/56/79/447485679.db2.gz ZUCRXFXSUOSLCV-MRXNPFEDSA-N 1 3 334.464 1.363 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCC1 ZINC000390920086 447505909 /nfs/dbraw/zinc/50/59/09/447505909.db2.gz HIMYZGQGTZCFBP-GOSISDBHSA-N 1 3 345.487 1.913 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033973 447510099 /nfs/dbraw/zinc/51/00/99/447510099.db2.gz XVSYBLXBBKIQLE-MOPGFXCFSA-N 1 3 345.487 1.926 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420006649 447541785 /nfs/dbraw/zinc/54/17/85/447541785.db2.gz ZLGVAWIPPSEGNM-QGZVFWFLSA-N 1 3 348.491 1.196 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN1CCCO ZINC000457820279 447640887 /nfs/dbraw/zinc/64/08/87/447640887.db2.gz VFXPUAAOWRYVMQ-JKSUJKDBSA-N 1 3 328.501 1.109 20 0 EDADHO O[C@]1(C[NH2+]C2CCN(C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000459419416 447658695 /nfs/dbraw/zinc/65/86/95/447658695.db2.gz AMRBCDCTRDJZEN-FQEVSTJZSA-N 1 3 329.488 1.840 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457932424 447676564 /nfs/dbraw/zinc/67/65/64/447676564.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457932424 447676567 /nfs/dbraw/zinc/67/65/67/447676567.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NCCCNCc2cccnc2)CC1 ZINC000416939705 447717355 /nfs/dbraw/zinc/71/73/55/447717355.db2.gz NJZCEZSAZKLABD-UHFFFAOYSA-N 1 3 347.507 1.981 20 0 EDADHO CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422697162 447718809 /nfs/dbraw/zinc/71/88/09/447718809.db2.gz UBRBETZFKHOWDS-IRXDYDNUSA-N 1 3 332.496 1.109 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CCNCC2)s1 ZINC000422717078 447726749 /nfs/dbraw/zinc/72/67/49/447726749.db2.gz ODMAUSKDJWGEPU-UHFFFAOYSA-N 1 3 345.534 1.663 20 0 EDADHO COCCN(C)CCOc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719312 447727814 /nfs/dbraw/zinc/72/78/14/447727814.db2.gz YKJZZSCCNZPVBO-QFBILLFUSA-N 1 3 335.492 1.731 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000416958377 447727930 /nfs/dbraw/zinc/72/79/30/447727930.db2.gz OZHZCXHZCYNDFQ-CVEARBPZSA-N 1 3 327.517 1.075 20 0 EDADHO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N1CCN(C)CC1 ZINC000422963379 447782328 /nfs/dbraw/zinc/78/23/28/447782328.db2.gz IICBTSWWPWNULF-HOJAQTOUSA-N 1 3 332.536 1.807 20 0 EDADHO CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCN(C)CC1 ZINC000422963379 447782330 /nfs/dbraw/zinc/78/23/30/447782330.db2.gz IICBTSWWPWNULF-HOJAQTOUSA-N 1 3 332.536 1.807 20 0 EDADHO COc1ccc([C@@H](NCC2(O)CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977416 447785992 /nfs/dbraw/zinc/78/59/92/447785992.db2.gz KBKSGGZBNNYCCK-QZTJIDSGSA-N 1 3 333.476 1.535 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949185 /nfs/dbraw/zinc/94/91/85/447949185.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949193 /nfs/dbraw/zinc/94/91/93/447949193.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 1 3 345.487 1.327 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530574975 447917387 /nfs/dbraw/zinc/91/73/87/447917387.db2.gz OQBFNURSMIGBKF-IBGZPJMESA-N 1 3 333.476 1.327 20 0 EDADHO CC[N@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000530814800 447963744 /nfs/dbraw/zinc/96/37/44/447963744.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 1 3 333.476 1.470 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000530814800 447963748 /nfs/dbraw/zinc/96/37/48/447963748.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 1 3 333.476 1.470 20 0 EDADHO O=C1OCCN1CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000496866635 447984980 /nfs/dbraw/zinc/98/49/80/447984980.db2.gz QSOOELZDKKSHRC-MAUKXSAKSA-N 1 3 331.416 1.674 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](COC)C(C)C ZINC000525304129 447992761 /nfs/dbraw/zinc/99/27/61/447992761.db2.gz ZKYQZWLDIHFOAS-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](COC)C(C)C ZINC000525304129 447992767 /nfs/dbraw/zinc/99/27/67/447992767.db2.gz ZKYQZWLDIHFOAS-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000576463022 448061440 /nfs/dbraw/zinc/06/14/40/448061440.db2.gz FBCUKMXCAABJTN-UOVPBQLFSA-N 1 3 348.491 1.294 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000576460414 448060385 /nfs/dbraw/zinc/06/03/85/448060385.db2.gz VWKCTBGEYVMRJP-RBUKOAKNSA-N 1 3 336.476 1.376 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000570836388 448072988 /nfs/dbraw/zinc/07/29/88/448072988.db2.gz GUOXWIYQLIUBAI-QAPCUYQASA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836388 448072996 /nfs/dbraw/zinc/07/29/96/448072996.db2.gz GUOXWIYQLIUBAI-QAPCUYQASA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836388 448073002 /nfs/dbraw/zinc/07/30/02/448073002.db2.gz GUOXWIYQLIUBAI-QAPCUYQASA-N 1 3 347.459 1.459 20 0 EDADHO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000531704577 448130915 /nfs/dbraw/zinc/13/09/15/448130915.db2.gz KMCNIAVFZHCONO-SJORKVTESA-N 1 3 335.492 1.998 20 0 EDADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H]1CCOC1 ZINC000577075180 448206274 /nfs/dbraw/zinc/20/62/74/448206274.db2.gz AUXBIVUYTGFOTB-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n(C(C)(C)C)n1 ZINC000527126707 448164787 /nfs/dbraw/zinc/16/47/87/448164787.db2.gz LQTOVLRKUVMFHV-UHFFFAOYSA-N 1 3 338.500 1.904 20 0 EDADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000582415429 448230269 /nfs/dbraw/zinc/23/02/69/448230269.db2.gz UOGQPMMGDIPZFW-QGZVFWFLSA-N 1 3 335.448 1.459 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CN1C1CC1 ZINC000515504729 448324399 /nfs/dbraw/zinc/32/43/99/448324399.db2.gz DELDBAUTSSNORH-UKPHBRMFSA-N 1 3 337.533 1.945 20 0 EDADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000577372912 448279853 /nfs/dbraw/zinc/27/98/53/448279853.db2.gz YYYBSHPTNCAFDT-WMZOPIPTSA-N 1 3 348.466 1.058 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CN2CCN(C)CC2)c1 ZINC000515347149 448294161 /nfs/dbraw/zinc/29/41/61/448294161.db2.gz SUMXOBPWZDIUIP-FQEVSTJZSA-N 1 3 348.535 1.226 20 0 EDADHO CN1CCN(CCCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350076 448294527 /nfs/dbraw/zinc/29/45/27/448294527.db2.gz ZETWCAAKYFFYKK-HXUWFJFHSA-N 1 3 344.503 1.062 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493089095 448369685 /nfs/dbraw/zinc/36/96/85/448369685.db2.gz IPDPRDCVQJAKOJ-PVJKAEHXSA-N 1 3 331.460 1.548 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857456 448404803 /nfs/dbraw/zinc/40/48/03/448404803.db2.gz IUHROKHDYIZQKG-DOTOQJQBSA-N 1 3 343.471 1.570 20 0 EDADHO COc1cc(CNC(=O)[C@H](C)NC2CC2)ccc1OCC[NH+](C)C ZINC000516070459 448376889 /nfs/dbraw/zinc/37/68/89/448376889.db2.gz FNKWOUHBBDTEDC-ZDUSSCGKSA-N 1 3 335.448 1.392 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380597 /nfs/dbraw/zinc/38/05/97/448380597.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380605 /nfs/dbraw/zinc/38/06/05/448380605.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380610 /nfs/dbraw/zinc/38/06/10/448380610.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 1 3 343.515 1.868 20 0 EDADHO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000578122740 448465974 /nfs/dbraw/zinc/46/59/74/448465974.db2.gz JSZGETMOILDYBJ-IEBWSBKVSA-N 1 3 348.491 1.113 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000584459604 448533707 /nfs/dbraw/zinc/53/37/07/448533707.db2.gz ZWTIDZKXFZSTKD-OIISXLGYSA-N 1 3 336.480 1.151 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146967 448543836 /nfs/dbraw/zinc/54/38/36/448543836.db2.gz RDJSNRGXZWQUHY-STQMWFEESA-N 1 3 333.461 1.281 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC000578728913 448619540 /nfs/dbraw/zinc/61/95/40/448619540.db2.gz VOVGICJLUOAJBE-IRXDYDNUSA-N 1 3 332.448 1.193 20 0 EDADHO C[N@H+](C[C@H](O)CNc1cccc(CN2CCC(O)CC2)c1)C1CC1 ZINC000567262938 448652335 /nfs/dbraw/zinc/65/23/35/448652335.db2.gz HYOAXBPSYRSHHZ-LJQANCHMSA-N 1 3 333.476 1.510 20 0 EDADHO C[N@@H+](C[C@H](O)CNc1cccc(CN2CCC(O)CC2)c1)C1CC1 ZINC000567262938 448652340 /nfs/dbraw/zinc/65/23/40/448652340.db2.gz HYOAXBPSYRSHHZ-LJQANCHMSA-N 1 3 333.476 1.510 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCC(C)CC2)c1 ZINC000584782888 448631227 /nfs/dbraw/zinc/63/12/27/448631227.db2.gz VDHQSGCGUFZQLM-ZWKOTPCHSA-N 1 3 336.476 1.417 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000579005162 448694309 /nfs/dbraw/zinc/69/43/09/448694309.db2.gz FYWBXQXKSHECEK-OKZBNKHCSA-N 1 3 331.460 1.301 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574159799 448805927 /nfs/dbraw/zinc/80/59/27/448805927.db2.gz KIEZEBWPOMMQEI-SJLPKXTDSA-N 1 3 339.443 1.506 20 0 EDADHO C[C@]1(CO)CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000545400836 448794017 /nfs/dbraw/zinc/79/40/17/448794017.db2.gz AUTOHHJUBYNGFB-HXUWFJFHSA-N 1 3 345.487 1.745 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC000567990651 448794647 /nfs/dbraw/zinc/79/46/47/448794647.db2.gz RUWXYJCPYKEBIR-IBGZPJMESA-N 1 3 344.503 1.323 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000519705856 448823942 /nfs/dbraw/zinc/82/39/42/448823942.db2.gz MMWLRBGDIMXEMH-OWCLPIDISA-N 1 3 339.480 1.251 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000547339788 448870476 /nfs/dbraw/zinc/87/04/76/448870476.db2.gz QYJUITOYGUMVDZ-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520415535 448896776 /nfs/dbraw/zinc/89/67/76/448896776.db2.gz PKNRGWJKIXNHRM-SFHVURJKSA-N 1 3 348.491 1.659 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)C(C)C)CC2)CC1 ZINC000520836338 448936530 /nfs/dbraw/zinc/93/65/30/448936530.db2.gz LTRFXGFNVVFRDP-GOSISDBHSA-N 1 3 339.524 1.706 20 0 EDADHO C[C@@H](NC(C)(C)C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946862 448917241 /nfs/dbraw/zinc/91/72/41/448917241.db2.gz COKHPRNKLOXDSY-MJGOQNOKSA-N 1 3 348.535 1.314 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946862 448917245 /nfs/dbraw/zinc/91/72/45/448917245.db2.gz COKHPRNKLOXDSY-MJGOQNOKSA-N 1 3 348.535 1.314 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000574622572 448918034 /nfs/dbraw/zinc/91/80/34/448918034.db2.gz KDTYYFRDHKZQSO-ICSRJNTNSA-N 1 3 344.503 1.944 20 0 EDADHO CC(C)OCCOC[C@H](O)CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967440 448924155 /nfs/dbraw/zinc/92/41/55/448924155.db2.gz JTXYFXLIDJMPDI-LJQANCHMSA-N 1 3 336.476 1.567 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC000568856248 448927053 /nfs/dbraw/zinc/92/70/53/448927053.db2.gz PDVAOSMKFUVGEE-KFWWJZLASA-N 1 3 336.480 1.009 20 0 EDADHO CC[NH+]1CCC(CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000521386594 448977654 /nfs/dbraw/zinc/97/76/54/448977654.db2.gz AXNMGSUUUCFDNZ-AWEZNQCLSA-N 1 3 339.505 1.977 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120822 449016737 /nfs/dbraw/zinc/01/67/37/449016737.db2.gz UGJSSWSNSYPHAJ-OALUTQOASA-N 1 3 344.503 1.356 20 0 EDADHO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000530220007 449084139 /nfs/dbraw/zinc/08/41/39/449084139.db2.gz AXAOJYLSXPCOOA-ROUUACIJSA-N 1 3 347.438 1.771 20 0 EDADHO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000530220007 449084146 /nfs/dbraw/zinc/08/41/46/449084146.db2.gz AXAOJYLSXPCOOA-ROUUACIJSA-N 1 3 347.438 1.771 20 0 EDADHO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000595893083 449237101 /nfs/dbraw/zinc/23/71/01/449237101.db2.gz OVUMDEMKDUVJRY-NVXWUHKLSA-N 1 3 332.444 1.819 20 0 EDADHO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(CNC2)O1 ZINC000595893083 449237104 /nfs/dbraw/zinc/23/71/04/449237104.db2.gz OVUMDEMKDUVJRY-NVXWUHKLSA-N 1 3 332.444 1.819 20 0 EDADHO CC(C)(C)OC(=O)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963789 449248983 /nfs/dbraw/zinc/24/89/83/449248983.db2.gz GPQFGOAWLIVBLG-IBGZPJMESA-N 1 3 334.460 1.945 20 0 EDADHO CC(C)(C)OC(=O)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963789 449248985 /nfs/dbraw/zinc/24/89/85/449248985.db2.gz GPQFGOAWLIVBLG-IBGZPJMESA-N 1 3 334.460 1.945 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929630 449259565 /nfs/dbraw/zinc/25/95/65/449259565.db2.gz NSCGDTKINSZGSO-IEBWSBKVSA-N 1 3 342.487 1.459 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1SC ZINC000590956645 449358889 /nfs/dbraw/zinc/35/88/89/449358889.db2.gz SZGUVPZESRUYGG-XBVQOTNRSA-N 1 3 327.538 1.654 20 0 EDADHO CS[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1N1CCCC1 ZINC000602136792 449374880 /nfs/dbraw/zinc/37/48/80/449374880.db2.gz UKHKQMFFWKAOCW-HOTGVXAUSA-N 1 3 337.533 1.901 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425576 449381116 /nfs/dbraw/zinc/38/11/16/449381116.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 1 3 343.471 1.224 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425576 449381120 /nfs/dbraw/zinc/38/11/20/449381120.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 1 3 343.471 1.224 20 0 EDADHO O=C(NCC12CCC[NH+]1CCC2)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000614226945 449515662 /nfs/dbraw/zinc/51/56/62/449515662.db2.gz MNONGJKFSWVQCD-HXUWFJFHSA-N 1 3 343.471 1.368 20 0 EDADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CCC2 ZINC000594502068 449558280 /nfs/dbraw/zinc/55/82/80/449558280.db2.gz CKVCUCBAYDWBSV-WMZOPIPTSA-N 1 3 332.444 1.897 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cnccc1Cl ZINC000617507588 449657989 /nfs/dbraw/zinc/65/79/89/449657989.db2.gz BHMSOTWAWZMKAF-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cnccc1Cl ZINC000617507588 449657997 /nfs/dbraw/zinc/65/79/97/449657997.db2.gz BHMSOTWAWZMKAF-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO Cc1ccn2cnc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2c1 ZINC000617502686 449647453 /nfs/dbraw/zinc/64/74/53/449647453.db2.gz YSCBBLAXNOMJJD-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1ccn2cnc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2c1 ZINC000617502686 449647458 /nfs/dbraw/zinc/64/74/58/449647458.db2.gz YSCBBLAXNOMJJD-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO C[N@H+](CCCNC(=O)NC1CCN(CCO)CC1)C1CCCCC1 ZINC000601243096 449769431 /nfs/dbraw/zinc/76/94/31/449769431.db2.gz JUPJTACQXGMYMG-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO C[N@@H+](CCCNC(=O)NC1CCN(CCO)CC1)C1CCCCC1 ZINC000601243096 449769437 /nfs/dbraw/zinc/76/94/37/449769437.db2.gz JUPJTACQXGMYMG-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO COC(=O)c1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000597060054 449790652 /nfs/dbraw/zinc/79/06/52/449790652.db2.gz BYBMEXDADNZEAZ-UHFFFAOYSA-N 1 3 338.423 1.937 20 0 EDADHO C[NH+](C)CC1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000615509398 450118628 /nfs/dbraw/zinc/11/86/28/450118628.db2.gz MILQCYVRZUHPCH-UHFFFAOYSA-N 1 3 330.476 1.219 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000595404192 450118737 /nfs/dbraw/zinc/11/87/37/450118737.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 1 3 342.487 1.894 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000595404192 450118741 /nfs/dbraw/zinc/11/87/41/450118741.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 1 3 342.487 1.894 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCOCC4)CC2)CC1 ZINC000613342739 450142335 /nfs/dbraw/zinc/14/23/35/450142335.db2.gz NRBVPZGYFPVOMJ-UHFFFAOYSA-N 1 3 349.519 1.822 20 0 EDADHO CO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000625287626 450275040 /nfs/dbraw/zinc/27/50/40/450275040.db2.gz LKJUONNKWSBHHZ-MRXNPFEDSA-N 1 3 325.428 1.465 20 0 EDADHO CCc1oc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000619844861 450345130 /nfs/dbraw/zinc/34/51/30/450345130.db2.gz IFKHOGPUXNTMBH-AWEZNQCLSA-N 1 3 349.475 1.887 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000623716069 450570936 /nfs/dbraw/zinc/57/09/36/450570936.db2.gz DZANWMDVDRIMAZ-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000623716069 450570937 /nfs/dbraw/zinc/57/09/37/450570937.db2.gz DZANWMDVDRIMAZ-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000623716069 450570939 /nfs/dbraw/zinc/57/09/39/450570939.db2.gz DZANWMDVDRIMAZ-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[N@@H+]1CC[C@@H](NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546591 450540545 /nfs/dbraw/zinc/54/05/45/450540545.db2.gz IOURXFWQRAKHJS-MRXNPFEDSA-N 1 3 325.497 1.330 20 0 EDADHO C[N@H+]1CC[C@@H](NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546591 450540548 /nfs/dbraw/zinc/54/05/48/450540548.db2.gz IOURXFWQRAKHJS-MRXNPFEDSA-N 1 3 325.497 1.330 20 0 EDADHO COC1CCN(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626023165 450555985 /nfs/dbraw/zinc/55/59/85/450555985.db2.gz ZFIBUVBILAVBSO-RBUKOAKNSA-N 1 3 345.487 1.559 20 0 EDADHO COC1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626023165 450555987 /nfs/dbraw/zinc/55/59/87/450555987.db2.gz ZFIBUVBILAVBSO-RBUKOAKNSA-N 1 3 345.487 1.559 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NCCCN(C)CCOC)CC1 ZINC000633077099 450663078 /nfs/dbraw/zinc/66/30/78/450663078.db2.gz QSSKYEYLPFLCNZ-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC(CC4CC4)C3)CC2)CC1 ZINC000621449269 450728922 /nfs/dbraw/zinc/72/89/22/450728922.db2.gz KSWCRUDQJCPIGN-UHFFFAOYSA-N 1 3 334.508 1.987 20 0 EDADHO O[C@@H](CNCc1ccccc1CN1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629562703 450737588 /nfs/dbraw/zinc/73/75/88/450737588.db2.gz COHILJTZWNSFQZ-FQEVSTJZSA-N 1 3 347.503 1.190 20 0 EDADHO O=C1C[C@@H](CNC[C@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573910 450744599 /nfs/dbraw/zinc/74/45/99/450744599.db2.gz GDTFNOKRFPXORL-ROUUACIJSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCCN(C)C)C1 ZINC000631787824 450776845 /nfs/dbraw/zinc/77/68/45/450776845.db2.gz HHHMOYVVTNMMHK-GJZGRUSLSA-N 1 3 333.542 1.614 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890172 450850144 /nfs/dbraw/zinc/85/01/44/450850144.db2.gz NBSUPOZRKWJUEA-GBESFXJTSA-N 1 3 344.503 1.479 20 0 EDADHO C[N@H+](CCC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCCC1 ZINC000633481208 450872212 /nfs/dbraw/zinc/87/22/12/450872212.db2.gz BBXYMGIDRHOOOY-QGZVFWFLSA-N 1 3 325.497 1.604 20 0 EDADHO C[N@@H+](CCC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCCC1 ZINC000633481208 450872218 /nfs/dbraw/zinc/87/22/18/450872218.db2.gz BBXYMGIDRHOOOY-QGZVFWFLSA-N 1 3 325.497 1.604 20 0 EDADHO CCc1c[nH]c(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000635465451 450964717 /nfs/dbraw/zinc/96/47/17/450964717.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 1 3 335.496 1.389 20 0 EDADHO CCc1c[nH]c(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000635465451 450964722 /nfs/dbraw/zinc/96/47/22/450964722.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 1 3 335.496 1.389 20 0 EDADHO CC[C@H](CNC(=O)N(C)CCOCC[NH3+])N1CCc2ccccc2C1 ZINC000626935120 451017393 /nfs/dbraw/zinc/01/73/93/451017393.db2.gz XTABFLBIZQMDKW-GOSISDBHSA-N 1 3 348.491 1.440 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012435 451077601 /nfs/dbraw/zinc/07/76/01/451077601.db2.gz AVAPYTYNWFXJLF-RDJZCZTQSA-N 1 3 334.464 1.172 20 0 EDADHO Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC2 ZINC000628050829 451105788 /nfs/dbraw/zinc/10/57/88/451105788.db2.gz NHXDXHDLPCUAMC-HOCLYGCPSA-N 1 3 335.496 1.142 20 0 EDADHO Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC2 ZINC000628050829 451105790 /nfs/dbraw/zinc/10/57/90/451105790.db2.gz NHXDXHDLPCUAMC-HOCLYGCPSA-N 1 3 335.496 1.142 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn2ccccc12 ZINC000640368459 451285684 /nfs/dbraw/zinc/28/56/84/451285684.db2.gz FRBAUVQQYWENCA-AWEZNQCLSA-N 1 3 332.452 1.728 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn2ccccc12 ZINC000640368459 451285689 /nfs/dbraw/zinc/28/56/89/451285689.db2.gz FRBAUVQQYWENCA-AWEZNQCLSA-N 1 3 332.452 1.728 20 0 EDADHO CN(CCN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101676 451267744 /nfs/dbraw/zinc/26/77/44/451267744.db2.gz QQOMGGHPPJHOMI-LJQANCHMSA-N 1 3 342.487 1.310 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638103477 451270704 /nfs/dbraw/zinc/27/07/04/451270704.db2.gz OTBSNQPJGLJTHA-IMFGXOCKSA-N 1 3 345.487 1.911 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638111665 451279386 /nfs/dbraw/zinc/27/93/86/451279386.db2.gz PEHOCTWIMKRAIP-LJQANCHMSA-N 1 3 346.519 1.684 20 0 EDADHO CN(C)CCn1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)cn1 ZINC000630681699 451336572 /nfs/dbraw/zinc/33/65/72/451336572.db2.gz LTTUJNIOGPMJCY-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CN(C)CCn1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cn1 ZINC000630681699 451336576 /nfs/dbraw/zinc/33/65/76/451336576.db2.gz LTTUJNIOGPMJCY-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO O=C(CCC1C[NH2+]C1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000638137899 451312283 /nfs/dbraw/zinc/31/22/83/451312283.db2.gz QJDQHBVUBRGSML-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195161 451349804 /nfs/dbraw/zinc/34/98/04/451349804.db2.gz RFBMDAOIHIEHFQ-LJQANCHMSA-N 1 3 338.455 1.365 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)c2cnn(CCN(C)C)c2)([NH+](C)C)C1 ZINC000630804626 451411327 /nfs/dbraw/zinc/41/13/27/451411327.db2.gz SWSILLHOOKFWJR-QAPCUYQASA-N 1 3 335.496 1.685 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc2[nH]c1=O ZINC000638334267 451440133 /nfs/dbraw/zinc/44/01/33/451440133.db2.gz AFTAFXJUXJCOSA-OAHLLOKOSA-N 1 3 347.463 1.407 20 0 EDADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000630848674 451437245 /nfs/dbraw/zinc/43/72/45/451437245.db2.gz IHCGPZNAFYOLMJ-UHFFFAOYSA-N 1 3 347.507 1.829 20 0 EDADHO N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1ccccc1F ZINC000638348142 451450219 /nfs/dbraw/zinc/45/02/19/451450219.db2.gz CBLJEFVCFCQNNL-DOTOQJQBSA-N 1 3 331.435 1.955 20 0 EDADHO Cc1cncn1CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638347554 451450691 /nfs/dbraw/zinc/45/06/91/451450691.db2.gz SVZBTLPNEZZHHW-UHFFFAOYSA-N 1 3 341.459 1.301 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367946 451467314 /nfs/dbraw/zinc/46/73/14/451467314.db2.gz RKNWMTOZRJKRIW-XFKSJGNHSA-N 1 3 343.471 1.486 20 0 EDADHO O[C@]1(CNCCN2CCSCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704200 451479078 /nfs/dbraw/zinc/47/90/78/451479078.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 1 3 335.517 1.262 20 0 EDADHO O[C@]1(CNCCN2CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704200 451479086 /nfs/dbraw/zinc/47/90/86/451479086.db2.gz HMFYSUVHVJGFNJ-SFHVURJKSA-N 1 3 335.517 1.262 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2ccccc2F)CC1 ZINC000638402926 451490738 /nfs/dbraw/zinc/49/07/38/451490738.db2.gz FVFYEVZWEXJTRB-UHFFFAOYSA-N 1 3 337.439 1.380 20 0 EDADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000630862330 451446145 /nfs/dbraw/zinc/44/61/45/451446145.db2.gz GZUFLJOGMAVBFJ-OAHLLOKOSA-N 1 3 330.476 1.860 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636097132 451513625 /nfs/dbraw/zinc/51/36/25/451513625.db2.gz DZNFGZLLFHRISL-CALCHBBNSA-N 1 3 335.492 1.765 20 0 EDADHO CO[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCOCC1 ZINC000638459493 451526447 /nfs/dbraw/zinc/52/64/47/451526447.db2.gz KEWSJUSYKXGOMW-IBGZPJMESA-N 1 3 339.524 1.576 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1 ZINC000638718604 451664724 /nfs/dbraw/zinc/66/47/24/451664724.db2.gz JDLRFJZJAXLQLE-ICSRJNTNSA-N 1 3 348.487 1.784 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000638667977 451640625 /nfs/dbraw/zinc/64/06/25/451640625.db2.gz HLAGDJRYQSYLIE-UHFFFAOYSA-N 1 3 341.415 1.083 20 0 EDADHO CC[NH+]1CCC(NC(=O)Cn2cc(CNC3CCCCC3)nn2)CC1 ZINC000640870262 451658646 /nfs/dbraw/zinc/65/86/46/451658646.db2.gz WMCZKCNEOKGHAB-UHFFFAOYSA-N 1 3 348.495 1.301 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1(C)C ZINC000638977325 451744245 /nfs/dbraw/zinc/74/42/45/451744245.db2.gz KUDPUBPGLUGYDB-QAPCUYQASA-N 1 3 349.479 1.621 20 0 EDADHO C[C@H]1CN(CCC[NH2+]C2CCN(CC(C)(C)O)CC2)CCCO1 ZINC000639122209 451771927 /nfs/dbraw/zinc/77/19/27/451771927.db2.gz RRTODUAZIDJHOO-INIZCTEOSA-N 1 3 327.513 1.312 20 0 EDADHO O[C@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230360 451791394 /nfs/dbraw/zinc/79/13/94/451791394.db2.gz PWYOUXKELWMHHP-IEBWSBKVSA-N 1 3 341.459 1.382 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642021599 451806099 /nfs/dbraw/zinc/80/60/99/451806099.db2.gz HPBGJCZULGNPJD-ROUUACIJSA-N 1 3 346.475 1.138 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CNCCO1 ZINC000642021599 451806106 /nfs/dbraw/zinc/80/61/06/451806106.db2.gz HPBGJCZULGNPJD-ROUUACIJSA-N 1 3 346.475 1.138 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000644562113 451862724 /nfs/dbraw/zinc/86/27/24/451862724.db2.gz WIXAYSWDBOWERZ-ICSRJNTNSA-N 1 3 331.504 1.738 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000644575226 451870338 /nfs/dbraw/zinc/87/03/38/451870338.db2.gz XTSXYBJIOICZIJ-XOKHGSTOSA-N 1 3 335.448 1.457 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000644575226 451870344 /nfs/dbraw/zinc/87/03/44/451870344.db2.gz XTSXYBJIOICZIJ-XOKHGSTOSA-N 1 3 335.448 1.457 20 0 EDADHO C[C@@H](NC(=O)C(=O)N(C)CCN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000653412527 451925071 /nfs/dbraw/zinc/92/50/71/451925071.db2.gz WZXYMDCQQSUBOM-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653419061 451931132 /nfs/dbraw/zinc/93/11/32/451931132.db2.gz QUICEINLAYHELM-UHFFFAOYSA-N 1 3 343.435 1.194 20 0 EDADHO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CNCCC2(F)F)c1 ZINC000649287949 451963407 /nfs/dbraw/zinc/96/34/07/451963407.db2.gz SDAKKMIIDOJZNY-CQSZACIVSA-N 1 3 327.375 1.810 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651676460 452007819 /nfs/dbraw/zinc/00/78/19/452007819.db2.gz AHLYCCFJRDVIQF-UHFFFAOYSA-N 1 3 342.491 1.775 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094189 452057286 /nfs/dbraw/zinc/05/72/86/452057286.db2.gz XQMLHRSDVGEELG-QGZVFWFLSA-N 1 3 345.491 1.581 20 0 EDADHO Cc1cccc(OCCNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759611 452098003 /nfs/dbraw/zinc/09/80/03/452098003.db2.gz DPVJRWHMBMHWNJ-UHFFFAOYSA-N 1 3 345.487 1.908 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000639758641 452098372 /nfs/dbraw/zinc/09/83/72/452098372.db2.gz WUMHEFSVFADEHL-IRXDYDNUSA-N 1 3 335.492 1.574 20 0 EDADHO COCCn1cc(C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)cn1 ZINC000647248832 452145669 /nfs/dbraw/zinc/14/56/69/452145669.db2.gz JPCVJLYDWBHUJC-MOPGFXCFSA-N 1 3 328.460 1.965 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)n2)CC1 ZINC000647475915 452224444 /nfs/dbraw/zinc/22/44/44/452224444.db2.gz GQTIPDUGCVJGBQ-HNNXBMFYSA-N 1 3 346.479 1.946 20 0 EDADHO NC(=O)c1ccccc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643452183 452229809 /nfs/dbraw/zinc/22/98/09/452229809.db2.gz LDLJEHKZILAOCI-BURFUSLBSA-N 1 3 342.487 1.875 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC[C@H]1CCOC1 ZINC000643464428 452234683 /nfs/dbraw/zinc/23/46/83/452234683.db2.gz WJHOSEYJXAFDHW-VDZJLULYSA-N 1 3 332.444 1.885 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000663560242 452274949 /nfs/dbraw/zinc/27/49/49/452274949.db2.gz JZRIJFAAGIXYLY-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000659436826 452283268 /nfs/dbraw/zinc/28/32/68/452283268.db2.gz ZOHQSRCKBPBVJO-QGZVFWFLSA-N 1 3 347.507 1.101 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659453656 452302061 /nfs/dbraw/zinc/30/20/61/452302061.db2.gz YAJCUWFKQMDVBF-UHFFFAOYSA-N 1 3 326.485 1.447 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000659465415 452320862 /nfs/dbraw/zinc/32/08/62/452320862.db2.gz KUKVHQODJIYPPH-AWEZNQCLSA-N 1 3 334.464 1.050 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000665757853 452327057 /nfs/dbraw/zinc/32/70/57/452327057.db2.gz YHPQTKJECQOVOH-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCCOC1 ZINC000665757853 452327061 /nfs/dbraw/zinc/32/70/61/452327061.db2.gz YHPQTKJECQOVOH-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659472554 452329828 /nfs/dbraw/zinc/32/98/28/452329828.db2.gz NZRDPUZKMPRXAO-XVTSOASTSA-N 1 3 343.475 1.740 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659472545 452330981 /nfs/dbraw/zinc/33/09/81/452330981.db2.gz NQZBWNJTRJREDQ-KBRIMQKVSA-N 1 3 349.454 1.688 20 0 EDADHO [NH3+]C1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCCC1 ZINC000659476685 452336474 /nfs/dbraw/zinc/33/64/74/452336474.db2.gz DQHXQSLDGDUKFV-UHFFFAOYSA-N 1 3 331.464 1.869 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000665762403 452341514 /nfs/dbraw/zinc/34/15/14/452341514.db2.gz CRUMYFVLWMPNSD-HOTGVXAUSA-N 1 3 336.484 1.112 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000665762403 452341523 /nfs/dbraw/zinc/34/15/23/452341523.db2.gz CRUMYFVLWMPNSD-HOTGVXAUSA-N 1 3 336.484 1.112 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000665763815 452349107 /nfs/dbraw/zinc/34/91/07/452349107.db2.gz MRGQKSONUNPKNJ-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000665763815 452349115 /nfs/dbraw/zinc/34/91/15/452349115.db2.gz MRGQKSONUNPKNJ-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596948 452365044 /nfs/dbraw/zinc/36/50/44/452365044.db2.gz PQTMSJUBYHBKPI-SFHVURJKSA-N 1 3 327.428 1.947 20 0 EDADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596948 452365056 /nfs/dbraw/zinc/36/50/56/452365056.db2.gz PQTMSJUBYHBKPI-SFHVURJKSA-N 1 3 327.428 1.947 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3N)cc2)C1 ZINC000638065225 452366740 /nfs/dbraw/zinc/36/67/40/452366740.db2.gz SKXGQWMNVASTFH-VVWQDTPRSA-N 1 3 345.487 1.897 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659516395 452379677 /nfs/dbraw/zinc/37/96/77/452379677.db2.gz QNSNTSIITPRPQS-QGZVFWFLSA-N 1 3 331.464 1.345 20 0 EDADHO CC1CCN([C@@H](CNC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638077529 452389048 /nfs/dbraw/zinc/38/90/48/452389048.db2.gz TZPBHWXRLBMYBN-IBGZPJMESA-N 1 3 344.503 1.481 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659566609 452420631 /nfs/dbraw/zinc/42/06/31/452420631.db2.gz NDRPBPSHHDEBMU-QGZVFWFLSA-N 1 3 331.464 1.426 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000659579937 452435803 /nfs/dbraw/zinc/43/58/03/452435803.db2.gz MRFGZTMIVLLXLY-GUDVDZBRSA-N 1 3 340.471 1.788 20 0 EDADHO CN(CC1CN(C)C1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661665147 452476436 /nfs/dbraw/zinc/47/64/36/452476436.db2.gz HRQZTCOLKJDKGV-UHFFFAOYSA-N 1 3 345.491 1.497 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000655680475 452506274 /nfs/dbraw/zinc/50/62/74/452506274.db2.gz MHYPEQNWWQGONN-HZPDHXFCSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn(C)c(=O)c1 ZINC000640207991 452515635 /nfs/dbraw/zinc/51/56/35/452515635.db2.gz OOMMJMXLZQXVSJ-MRXNPFEDSA-N 1 3 349.479 1.265 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccn(C)c(=O)c1 ZINC000640207991 452515645 /nfs/dbraw/zinc/51/56/45/452515645.db2.gz OOMMJMXLZQXVSJ-MRXNPFEDSA-N 1 3 349.479 1.265 20 0 EDADHO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345474 452520520 /nfs/dbraw/zinc/52/05/20/452520520.db2.gz CKMALHVSCJAZFT-GBESFXJTSA-N 1 3 345.487 1.863 20 0 EDADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347494 452522384 /nfs/dbraw/zinc/52/23/84/452522384.db2.gz CFEOSCFVMREFLM-JZXOWHBKSA-N 1 3 337.508 1.852 20 0 EDADHO CNC(=O)c1cccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349033 452527135 /nfs/dbraw/zinc/52/71/35/452527135.db2.gz ZISVIYNSKPCQPQ-OKZBNKHCSA-N 1 3 331.460 1.765 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360871 452541196 /nfs/dbraw/zinc/54/11/96/452541196.db2.gz SMYFWMSUNNCHKN-DJIMGWMZSA-N 1 3 342.443 1.555 20 0 EDADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835435 452573455 /nfs/dbraw/zinc/57/34/55/452573455.db2.gz YLWCXXWVYGROTD-IBGZPJMESA-N 1 3 344.503 1.407 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1CN)C(C)C ZINC000659704254 452592738 /nfs/dbraw/zinc/59/27/38/452592738.db2.gz IXCOAZRMZFPRCB-CVEARBPZSA-N 1 3 340.512 1.197 20 0 EDADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000657969231 452648975 /nfs/dbraw/zinc/64/89/75/452648975.db2.gz KPFMCOCFLHVJDN-CRAIPNDOSA-N 1 3 329.448 1.413 20 0 EDADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000657969231 452648981 /nfs/dbraw/zinc/64/89/81/452648981.db2.gz KPFMCOCFLHVJDN-CRAIPNDOSA-N 1 3 329.448 1.413 20 0 EDADHO CC(C)[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000647929096 452668019 /nfs/dbraw/zinc/66/80/19/452668019.db2.gz JRMNJLDBVZUNLG-MSOLQXFVSA-N 1 3 332.492 1.335 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000655913231 452672620 /nfs/dbraw/zinc/67/26/20/452672620.db2.gz SRFKKKHMJLBECH-CQSZACIVSA-N 1 3 344.381 1.794 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927176 452695082 /nfs/dbraw/zinc/69/50/82/452695082.db2.gz GNJLMNWUDWBNFX-XQQFMLRXSA-N 1 3 330.354 1.621 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000647960757 452705648 /nfs/dbraw/zinc/70/56/48/452705648.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 1 3 327.513 1.704 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000647960757 452705653 /nfs/dbraw/zinc/70/56/53/452705653.db2.gz HITIOWHUCSBSTM-BBWFWOEESA-N 1 3 327.513 1.704 20 0 EDADHO FC(F)(F)COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941151 452712671 /nfs/dbraw/zinc/71/26/71/452712671.db2.gz NEJUHMKTYZJTFE-TXEJJXNPSA-N 1 3 330.354 1.849 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976158 452721336 /nfs/dbraw/zinc/72/13/36/452721336.db2.gz KZXMXZOFZBZTPD-UONOGXRCSA-N 1 3 347.488 1.671 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000647977433 452723613 /nfs/dbraw/zinc/72/36/13/452723613.db2.gz BFMHMLGXDUDEHV-YDZRNGNQSA-N 1 3 349.519 1.868 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659878536 452755322 /nfs/dbraw/zinc/75/53/22/452755322.db2.gz LUWRNBCNICBSMR-HDICACEKSA-N 1 3 338.540 1.450 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659878536 452755327 /nfs/dbraw/zinc/75/53/27/452755327.db2.gz LUWRNBCNICBSMR-HDICACEKSA-N 1 3 338.540 1.450 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770444 /nfs/dbraw/zinc/77/04/44/452770444.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770455 /nfs/dbraw/zinc/77/04/55/452770455.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726530 452840859 /nfs/dbraw/zinc/84/08/59/452840859.db2.gz ULTXGCQYAOGOKL-QZTJIDSGSA-N 1 3 343.475 1.930 20 0 EDADHO COc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000656194185 452953250 /nfs/dbraw/zinc/95/32/50/452953250.db2.gz BZGPCCUBLPDZHR-HIFRSBDPSA-N 1 3 333.432 1.306 20 0 EDADHO CC(C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198818 452955941 /nfs/dbraw/zinc/95/59/41/452955941.db2.gz ZNPAEUYINJWGAE-KEYYUXOJSA-N 1 3 348.495 1.067 20 0 EDADHO O=C(Nc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662257979 452985473 /nfs/dbraw/zinc/98/54/73/452985473.db2.gz RSVQUOFBXRMGKH-KRWDZBQOSA-N 1 3 347.434 1.997 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC(CC[NH2+]C)CC2)cc1 ZINC000662266008 452996612 /nfs/dbraw/zinc/99/66/12/452996612.db2.gz VMNONIIFHZSGLJ-UHFFFAOYSA-N 1 3 325.478 1.416 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654890274 453009988 /nfs/dbraw/zinc/00/99/88/453009988.db2.gz PDBIHXUGQKJQHE-FZNQNYSPSA-N 1 3 346.475 1.186 20 0 EDADHO COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000666614137 453012109 /nfs/dbraw/zinc/01/21/09/453012109.db2.gz RHYJTTMSYKNRSL-HNNXBMFYSA-N 1 3 335.448 1.333 20 0 EDADHO COc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000666614137 453012113 /nfs/dbraw/zinc/01/21/13/453012113.db2.gz RHYJTTMSYKNRSL-HNNXBMFYSA-N 1 3 335.448 1.333 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCC(C)CC1 ZINC000666714999 453091013 /nfs/dbraw/zinc/09/10/13/453091013.db2.gz DECGGYWBPBGDKV-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160229 453091694 /nfs/dbraw/zinc/09/16/94/453091694.db2.gz VBAFQTLWNLCWTP-BMFZPTHFSA-N 1 3 337.414 1.868 20 0 EDADHO CN1CCN(CCOc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000646116596 453129045 /nfs/dbraw/zinc/12/90/45/453129045.db2.gz RNNKLPNTUPDCAK-UHFFFAOYSA-N 1 3 334.464 1.379 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000662475761 453189639 /nfs/dbraw/zinc/18/96/39/453189639.db2.gz OSAKSRQJZQWVID-IAGOWNOFSA-N 1 3 346.475 1.789 20 0 EDADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000646243938 453252602 /nfs/dbraw/zinc/25/26/02/453252602.db2.gz IUIPVHYVAPGIAV-MRXNPFEDSA-N 1 3 333.480 1.924 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC[N@@H+]1C ZINC000648785030 453269061 /nfs/dbraw/zinc/26/90/61/453269061.db2.gz PUXDCKXFXOYOMR-NVXWUHKLSA-N 1 3 345.491 1.132 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC[N@H+]1C ZINC000648785030 453269070 /nfs/dbraw/zinc/26/90/70/453269070.db2.gz PUXDCKXFXOYOMR-NVXWUHKLSA-N 1 3 345.491 1.132 20 0 EDADHO [NH3+]C/C=C/CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000666990257 453314996 /nfs/dbraw/zinc/31/49/96/453314996.db2.gz IEDIPENDNBOAHP-OWOJBTEDSA-N 1 3 334.489 1.914 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613699 453331773 /nfs/dbraw/zinc/33/17/73/453331773.db2.gz HYQAGJFSUPOBHK-LJQANCHMSA-N 1 3 345.487 1.564 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CC[N@@H+]1C ZINC000648857573 453335369 /nfs/dbraw/zinc/33/53/69/453335369.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CC[N@H+]1C ZINC000648857573 453335372 /nfs/dbraw/zinc/33/53/72/453335372.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 1 3 345.487 1.600 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)c1 ZINC000667048421 453364895 /nfs/dbraw/zinc/36/48/95/453364895.db2.gz QFFAYNSIQRAPOX-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000662651391 453365484 /nfs/dbraw/zinc/36/54/84/453365484.db2.gz ZTUCNWYJJBHSNG-UHFFFAOYSA-N 1 3 330.476 1.830 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CO2 ZINC000651228299 453378170 /nfs/dbraw/zinc/37/81/70/453378170.db2.gz OFTMFYLRQPKVFR-SJORKVTESA-N 1 3 345.487 1.757 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662683597 453403966 /nfs/dbraw/zinc/40/39/66/453403966.db2.gz QHAHNNYQIJGMSA-UHFFFAOYSA-N 1 3 330.432 1.204 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662687625 453408948 /nfs/dbraw/zinc/40/89/48/453408948.db2.gz HPLJMKRJXWCEDO-ZNMIVQPWSA-N 1 3 349.479 1.106 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662694313 453414745 /nfs/dbraw/zinc/41/47/45/453414745.db2.gz OXXQQFAVXWWXAV-CABCVRRESA-N 1 3 334.468 1.053 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]1CN1CCCC1 ZINC000662697385 453418562 /nfs/dbraw/zinc/41/85/62/453418562.db2.gz FZAIZQHIXIBAOC-HZPDHXFCSA-N 1 3 346.479 1.293 20 0 EDADHO COC1CCN(C2(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)CCCC2)CC1 ZINC000662726123 453452722 /nfs/dbraw/zinc/45/27/22/453452722.db2.gz LLRRSCZUOQCDCP-INIZCTEOSA-N 1 3 337.508 1.914 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000662733689 453459364 /nfs/dbraw/zinc/45/93/64/453459364.db2.gz VJYQYOLTYAMIFP-CABCVRRESA-N 1 3 341.521 1.218 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC[C@@H]1C ZINC000664882978 453462204 /nfs/dbraw/zinc/46/22/04/453462204.db2.gz VMZBYCAFPFMUQD-HRCADAONSA-N 1 3 328.501 1.230 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC[C@@H]1C ZINC000664882978 453462213 /nfs/dbraw/zinc/46/22/13/453462213.db2.gz VMZBYCAFPFMUQD-HRCADAONSA-N 1 3 328.501 1.230 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662792935 453527009 /nfs/dbraw/zinc/52/70/09/453527009.db2.gz ZLVQVUALSRBGLM-KRWDZBQOSA-N 1 3 334.508 1.290 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662792935 453527016 /nfs/dbraw/zinc/52/70/16/453527016.db2.gz ZLVQVUALSRBGLM-KRWDZBQOSA-N 1 3 334.508 1.290 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000660734167 453553770 /nfs/dbraw/zinc/55/37/70/453553770.db2.gz HZEYQJSTGDDOIA-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000660734167 453553772 /nfs/dbraw/zinc/55/37/72/453553772.db2.gz HZEYQJSTGDDOIA-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659015300 453581198 /nfs/dbraw/zinc/58/11/98/453581198.db2.gz LKWJWIURVHZFHD-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO CC[N@H+](CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CCCCC1 ZINC000665219084 453611514 /nfs/dbraw/zinc/61/15/14/453611514.db2.gz LBJQXSGGGRTKDU-IRXDYDNUSA-N 1 3 340.512 1.347 20 0 EDADHO CC[N@@H+](CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C1CCCCC1 ZINC000665219084 453611519 /nfs/dbraw/zinc/61/15/19/453611519.db2.gz LBJQXSGGGRTKDU-IRXDYDNUSA-N 1 3 340.512 1.347 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000665232840 453617533 /nfs/dbraw/zinc/61/75/33/453617533.db2.gz VOUUSVHVBYVPJR-SZVBFZGTSA-N 1 3 336.476 1.593 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236166 453618912 /nfs/dbraw/zinc/61/89/12/453618912.db2.gz IRKNOFHSNLBEAD-ZYHUDNBSSA-N 1 3 341.253 1.291 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236166 453618916 /nfs/dbraw/zinc/61/89/16/453618916.db2.gz IRKNOFHSNLBEAD-ZYHUDNBSSA-N 1 3 341.253 1.291 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000665242682 453622034 /nfs/dbraw/zinc/62/20/34/453622034.db2.gz GYCZXCYCDUJSRN-KKUMJFAQSA-N 1 3 327.428 1.935 20 0 EDADHO Cc1cnc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000665256040 453626960 /nfs/dbraw/zinc/62/69/60/453626960.db2.gz MORACKJUOSJONC-KRWDZBQOSA-N 1 3 349.523 1.812 20 0 EDADHO Cc1cnc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000665256040 453626963 /nfs/dbraw/zinc/62/69/63/453626963.db2.gz MORACKJUOSJONC-KRWDZBQOSA-N 1 3 349.523 1.812 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1(C)C ZINC000662973149 453630515 /nfs/dbraw/zinc/63/05/15/453630515.db2.gz OQGXFDOBAFSUEC-HDMKZQKVSA-N 1 3 341.496 1.088 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282808 453633908 /nfs/dbraw/zinc/63/39/08/453633908.db2.gz CFBKGLSECSFLCY-RLLQIKCJSA-N 1 3 330.520 1.780 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC000665291156 453638292 /nfs/dbraw/zinc/63/82/92/453638292.db2.gz VPKKEIZHCNGMRL-CJNGLKHVSA-N 1 3 333.480 1.774 20 0 EDADHO C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292960 453639201 /nfs/dbraw/zinc/63/92/01/453639201.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 1 3 341.459 1.641 20 0 EDADHO C[C@@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292960 453639203 /nfs/dbraw/zinc/63/92/03/453639203.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 1 3 341.459 1.641 20 0 EDADHO CC(C)([NH3+])CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013224 453647170 /nfs/dbraw/zinc/64/71/70/453647170.db2.gz BMCMMUCDAUUZTK-CQSZACIVSA-N 1 3 348.495 1.043 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000663401397 453790090 /nfs/dbraw/zinc/79/00/90/453790090.db2.gz NALZQWOLBJFSJL-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO COc1c2ccccc2[nH]c1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576965030 486772246 /nfs/dbraw/zinc/77/22/46/486772246.db2.gz LOYJAFLGIWEGQS-UHFFFAOYSA-N 1 3 332.448 1.742 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000667526195 486823265 /nfs/dbraw/zinc/82/32/65/486823265.db2.gz HWTIYJBEZKUFEX-ZIAGYGMSSA-N 1 3 348.447 1.081 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000683943667 486875376 /nfs/dbraw/zinc/87/53/76/486875376.db2.gz IJYMSXYZKOINQT-INIZCTEOSA-N 1 3 337.489 1.511 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257036 487003842 /nfs/dbraw/zinc/00/38/42/487003842.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257036 487003847 /nfs/dbraw/zinc/00/38/47/487003847.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979702 487175640 /nfs/dbraw/zinc/17/56/40/487175640.db2.gz IXXFCEMCDMCVJT-HOCLYGCPSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979702 487175650 /nfs/dbraw/zinc/17/56/50/487175650.db2.gz IXXFCEMCDMCVJT-HOCLYGCPSA-N 1 3 326.510 1.207 20 0 EDADHO C[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000682192895 487318538 /nfs/dbraw/zinc/31/85/38/487318538.db2.gz QBPKNJANVKGMNI-CQSZACIVSA-N 1 3 346.475 1.533 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCCN1CCN(C)CC1 ZINC000675191629 487387074 /nfs/dbraw/zinc/38/70/74/487387074.db2.gz TWZBAIWXBJQZLN-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682703075 487407524 /nfs/dbraw/zinc/40/75/24/487407524.db2.gz FNFCGLBXVPWDHN-GOSISDBHSA-N 1 3 337.895 1.991 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)CC1 ZINC000675874633 487455226 /nfs/dbraw/zinc/45/52/26/487455226.db2.gz PCWVFMLCKUFBGP-NPCAHTBFSA-N 1 3 349.441 1.981 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000679735541 487462476 /nfs/dbraw/zinc/46/24/76/487462476.db2.gz DHQVHXBPVAFKMP-UHFFFAOYSA-N 1 3 337.537 1.729 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000669518561 485484327 /nfs/dbraw/zinc/48/43/27/485484327.db2.gz XLNBSZUIBMKRKU-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)C ZINC000669583458 485632337 /nfs/dbraw/zinc/63/23/37/485632337.db2.gz DDJKFXNDWHZDCS-RYRKJORJSA-N 1 3 348.491 1.664 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184426 485785116 /nfs/dbraw/zinc/78/51/16/485785116.db2.gz ZAPATGBPVPOPGX-MRXNPFEDSA-N 1 3 340.512 1.212 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000668518720 485836165 /nfs/dbraw/zinc/83/61/65/485836165.db2.gz LJDNNRJVDFZWFL-QGZVFWFLSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707289 486009243 /nfs/dbraw/zinc/00/92/43/486009243.db2.gz HEXMXYWEQJTMHE-HNAYVOBHSA-N 1 3 345.487 1.864 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707289 486009249 /nfs/dbraw/zinc/00/92/49/486009249.db2.gz HEXMXYWEQJTMHE-HNAYVOBHSA-N 1 3 345.487 1.864 20 0 EDADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000669389588 486025851 /nfs/dbraw/zinc/02/58/51/486025851.db2.gz ZUSWEYDASJTXPB-KBPBESRZSA-N 1 3 326.510 1.337 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCNCC1 ZINC000669420565 486141320 /nfs/dbraw/zinc/14/13/20/486141320.db2.gz QFPXXTGGAMBRGJ-SFHVURJKSA-N 1 3 330.476 1.904 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCNCC1 ZINC000669420565 486141327 /nfs/dbraw/zinc/14/13/27/486141327.db2.gz QFPXXTGGAMBRGJ-SFHVURJKSA-N 1 3 330.476 1.904 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1OCCN(C)C ZINC000178719982 486174795 /nfs/dbraw/zinc/17/47/95/486174795.db2.gz JSTJNKSDEMDCMA-CABCVRRESA-N 1 3 335.448 1.379 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669469592 486221031 /nfs/dbraw/zinc/22/10/31/486221031.db2.gz ZTNVQBGWMCDMBX-GOEBONIOSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669473266 486226957 /nfs/dbraw/zinc/22/69/57/486226957.db2.gz ILLRBCZBNXWMDZ-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO CN(C)CCOc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)ccn1 ZINC000136781653 491232254 /nfs/dbraw/zinc/23/22/54/491232254.db2.gz FWIJOGYSZOABLJ-UHFFFAOYSA-N 1 3 346.435 1.032 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000126495175 491014889 /nfs/dbraw/zinc/01/48/89/491014889.db2.gz QICBUGFOPDMQJA-UHFFFAOYSA-N 1 3 333.358 1.061 20 0 EDADHO COC1CCN(CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000080078247 491170222 /nfs/dbraw/zinc/17/02/22/491170222.db2.gz KLUWANJCWRAKBC-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000081354857 491177469 /nfs/dbraw/zinc/17/74/69/491177469.db2.gz BQOAGZBFIPJNTR-UHFFFAOYSA-N 1 3 349.410 1.441 20 0 EDADHO COc1cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)ccc1OCCN(C)C ZINC000180992006 533864479 /nfs/dbraw/zinc/86/44/79/533864479.db2.gz ZNLNPGHLSAZTAP-IBGZPJMESA-N 1 3 349.475 1.784 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000159335607 533947963 /nfs/dbraw/zinc/94/79/63/533947963.db2.gz CGRJTXUHQXRYOV-UYAOXDASSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335607 533947969 /nfs/dbraw/zinc/94/79/69/533947969.db2.gz CGRJTXUHQXRYOV-UYAOXDASSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335607 533947971 /nfs/dbraw/zinc/94/79/71/533947971.db2.gz CGRJTXUHQXRYOV-UYAOXDASSA-N 1 3 330.520 1.877 20 0 EDADHO CNC(=O)c1cccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239678 517971280 /nfs/dbraw/zinc/97/12/80/517971280.db2.gz GYHHOTLZQONGOZ-GOSISDBHSA-N 1 3 331.460 1.637 20 0 EDADHO [NH3+]C[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000131140612 534679934 /nfs/dbraw/zinc/67/99/34/534679934.db2.gz CMHFJNCXZDDKIW-SFHVURJKSA-N 1 3 330.476 1.539 20 0 EDADHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@H](C)C1 ZINC000130469842 527881367 /nfs/dbraw/zinc/88/13/67/527881367.db2.gz VHUNRLNWQFZXOM-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@H](C)C1 ZINC000130469842 527881374 /nfs/dbraw/zinc/88/13/74/527881374.db2.gz VHUNRLNWQFZXOM-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)[C@H](C)C1 ZINC000130469842 527881381 /nfs/dbraw/zinc/88/13/81/527881381.db2.gz VHUNRLNWQFZXOM-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000261879144 534934602 /nfs/dbraw/zinc/93/46/02/534934602.db2.gz TZLIRQCMAOSYMG-UHFFFAOYSA-N 1 3 348.491 1.359 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655894 535595032 /nfs/dbraw/zinc/59/50/32/535595032.db2.gz VGLMFEINZWPEON-HNNXBMFYSA-N 1 3 334.464 1.584 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655894 535595038 /nfs/dbraw/zinc/59/50/38/535595038.db2.gz VGLMFEINZWPEON-HNNXBMFYSA-N 1 3 334.464 1.584 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262679123 535689773 /nfs/dbraw/zinc/68/97/73/535689773.db2.gz SDLPPMFWOIHEGI-UHFFFAOYSA-N 1 3 338.540 1.820 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000332279123 536020079 /nfs/dbraw/zinc/02/00/79/536020079.db2.gz QYYCRZFINYVRIP-SJORKVTESA-N 1 3 337.489 1.653 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000332279123 536020085 /nfs/dbraw/zinc/02/00/85/536020085.db2.gz QYYCRZFINYVRIP-SJORKVTESA-N 1 3 337.489 1.653 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC(C)C)CC2)N(C)C1 ZINC000346356650 536778060 /nfs/dbraw/zinc/77/80/60/536778060.db2.gz WACHTIJLWBHQFO-IRXDYDNUSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C1 ZINC000348032866 536778585 /nfs/dbraw/zinc/77/85/85/536778585.db2.gz PHIDPNMKDONNGL-IRXDYDNUSA-N 1 3 338.496 1.221 20 0 EDADHO COCCCN1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760475956 580031629 /nfs/dbraw/zinc/03/16/29/580031629.db2.gz GRNCSCJWVPAXHL-UHFFFAOYSA-N 1 3 342.553 1.293 20 0 EDADHO CN(C)CCOC1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000732624214 578721204 /nfs/dbraw/zinc/72/12/04/578721204.db2.gz HQYZKPAGDVPRIQ-UHFFFAOYSA-N 1 3 344.569 1.491 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734272625 578804109 /nfs/dbraw/zinc/80/41/09/578804109.db2.gz GGHPGCSLSLQMNV-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO C[NH+]1CCC2(CCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000748324931 579679592 /nfs/dbraw/zinc/67/95/92/579679592.db2.gz UTRNOZQZWDQXKK-SFHVURJKSA-N 1 3 342.487 1.990 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434557 579726728 /nfs/dbraw/zinc/72/67/28/579726728.db2.gz ATVFQSHXEVSPQU-MAUKXSAKSA-N 1 3 341.496 1.726 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000750287175 579758323 /nfs/dbraw/zinc/75/83/23/579758323.db2.gz AFAXKMBLUSOBNT-JKSUJKDBSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000750287175 579758324 /nfs/dbraw/zinc/75/83/24/579758324.db2.gz AFAXKMBLUSOBNT-JKSUJKDBSA-N 1 3 341.496 1.680 20 0 EDADHO COC(=O)COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000767873463 580202531 /nfs/dbraw/zinc/20/25/31/580202531.db2.gz CHCTVXDYBCFDKO-HOCLYGCPSA-N 1 3 336.432 1.346 20 0 EDADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000776637871 580425078 /nfs/dbraw/zinc/42/50/78/580425078.db2.gz HDHISAPHJCSIAO-VTGFLYEISA-N 1 3 343.471 1.993 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801487 580679661 /nfs/dbraw/zinc/67/96/61/580679661.db2.gz RJCSPYNVEAOEEA-YOEHRIQHSA-N 1 3 332.448 1.324 20 0 EDADHO COc1cnccc1N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000795034611 580910875 /nfs/dbraw/zinc/91/08/75/580910875.db2.gz OBPJTBBNRDVSBH-UHFFFAOYSA-N 1 3 337.493 1.038 20 0 EDADHO COC(=O)C[C@]1([NH2+]CCCN2CCN(C(C)C)CC2)CCCOC1 ZINC000800371802 581051455 /nfs/dbraw/zinc/05/14/55/581051455.db2.gz HTLFPWADMGOOMB-GOSISDBHSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCCO1 ZINC000891855055 590656171 /nfs/dbraw/zinc/65/61/71/590656171.db2.gz HSLRSQRWTWVSJR-HOTGVXAUSA-N 1 3 340.512 1.565 20 0 EDADHO CSC1(CNC(=O)N2CCNCCC23CCC3)CC[NH+](C)CC1 ZINC000891905381 590680945 /nfs/dbraw/zinc/68/09/45/590680945.db2.gz HJNPCYCBEJIBDR-UHFFFAOYSA-N 1 3 340.537 1.741 20 0 EDADHO C[NH+](C)CCOC1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892005569 590739495 /nfs/dbraw/zinc/73/94/95/590739495.db2.gz WQCRQJOBPIGAPB-HZPDHXFCSA-N 1 3 330.444 1.663 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000892040489 590766402 /nfs/dbraw/zinc/76/64/02/590766402.db2.gz CHBADJUMCMXYJJ-BBRMVZONSA-N 1 3 334.464 1.351 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000892221545 590872262 /nfs/dbraw/zinc/87/22/62/590872262.db2.gz ZKPAEPLBBQUYRO-UHFFFAOYSA-N 1 3 326.485 1.115 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546724 591067929 /nfs/dbraw/zinc/06/79/29/591067929.db2.gz KVDGXSDIYSUVPW-SCTDSRPQSA-N 1 3 346.475 1.002 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563199 591074171 /nfs/dbraw/zinc/07/41/71/591074171.db2.gz PZWFPDMNLBNCOZ-DLBZAZTESA-N 1 3 343.487 1.627 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000891541396 591114530 /nfs/dbraw/zinc/11/45/30/591114530.db2.gz JUJYEMYJOUOUMF-QAQDUYKDSA-N 1 3 346.475 1.698 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(N)ccn2)CC1 ZINC000891636878 591160943 /nfs/dbraw/zinc/16/09/43/591160943.db2.gz UVUZYSGQLUSKDM-UHFFFAOYSA-N 1 3 335.452 1.352 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988866 591160901 /nfs/dbraw/zinc/16/09/01/591160901.db2.gz CZRSTLQILUHNHG-SJLPKXTDSA-N 1 3 343.475 1.644 20 0 EDADHO CN(CCN1CCCCC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755496 591163429 /nfs/dbraw/zinc/16/34/29/591163429.db2.gz INZVMCWEWNZQOG-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642858 591164378 /nfs/dbraw/zinc/16/43/78/591164378.db2.gz AALSZADIGDBCBT-VDHUWJSZSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C[N@@H+]1C1CC1 ZINC000891658911 591172243 /nfs/dbraw/zinc/17/22/43/591172243.db2.gz AUFBNUIOUCRSPY-KBRIMQKVSA-N 1 3 328.460 1.625 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C[N@H+]1C1CC1 ZINC000891658911 591172246 /nfs/dbraw/zinc/17/22/46/591172246.db2.gz AUFBNUIOUCRSPY-KBRIMQKVSA-N 1 3 328.460 1.625 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892789743 591179729 /nfs/dbraw/zinc/17/97/29/591179729.db2.gz SNPMFGCUHOMBES-PKOBYXMFSA-N 1 3 328.460 1.486 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892810291 591189108 /nfs/dbraw/zinc/18/91/08/591189108.db2.gz JRHYZZNIAYOXBW-ZWKOTPCHSA-N 1 3 328.460 1.581 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835762 591197804 /nfs/dbraw/zinc/19/78/04/591197804.db2.gz DZGUJZGTLJKRAX-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835730 591198064 /nfs/dbraw/zinc/19/80/64/591198064.db2.gz DCAHNNUURIQQHZ-MRXNPFEDSA-N 1 3 338.496 1.415 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000892923840 591226368 /nfs/dbraw/zinc/22/63/68/591226368.db2.gz NRGHEPNIPLNLEK-HNNXBMFYSA-N 1 3 326.485 1.352 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccoc2)C1 ZINC000895665431 591246269 /nfs/dbraw/zinc/24/62/69/591246269.db2.gz CQOASHSXCKYYQP-HNNXBMFYSA-N 1 3 336.480 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccoc2)C1 ZINC000895665431 591246270 /nfs/dbraw/zinc/24/62/70/591246270.db2.gz CQOASHSXCKYYQP-HNNXBMFYSA-N 1 3 336.480 1.736 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C2(O)CCC2)CC1 ZINC000895666011 591246801 /nfs/dbraw/zinc/24/68/01/591246801.db2.gz IXCYFCCQFPWBGW-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C2(O)CCC2)CC1 ZINC000895666011 591246803 /nfs/dbraw/zinc/24/68/03/591246803.db2.gz IXCYFCCQFPWBGW-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1OC[C@]2(CC[C@H](CNC3CC[NH+](CC(C)(C)O)CC3)O2)[C@H]1C ZINC000895818641 591280640 /nfs/dbraw/zinc/28/06/40/591280640.db2.gz FEFGIUZIRSSOIB-MFWIUYSUSA-N 1 3 340.508 1.784 20 0 EDADHO CN1CCC(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000895932279 591306596 /nfs/dbraw/zinc/30/65/96/591306596.db2.gz MAMUNEOYCDDRNA-KZNAEPCWSA-N 1 3 337.508 1.460 20 0 EDADHO CN1CCC(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000895932279 591306598 /nfs/dbraw/zinc/30/65/98/591306598.db2.gz MAMUNEOYCDDRNA-KZNAEPCWSA-N 1 3 337.508 1.460 20 0 EDADHO CN(CCN(C)[C@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453079 591315950 /nfs/dbraw/zinc/31/59/50/591315950.db2.gz AMOAYYJLYBIYIR-IRXDYDNUSA-N 1 3 343.487 1.578 20 0 EDADHO Cc1cnc(F)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000896004762 591321514 /nfs/dbraw/zinc/32/15/14/591321514.db2.gz NYMLFSRZBVZNDH-UHFFFAOYSA-N 1 3 334.439 1.818 20 0 EDADHO Cn1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C2CC2)n1 ZINC000894894491 591462844 /nfs/dbraw/zinc/46/28/44/591462844.db2.gz MAQLASLHKXALIF-UHFFFAOYSA-N 1 3 347.507 1.184 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000896498865 591482317 /nfs/dbraw/zinc/48/23/17/591482317.db2.gz DTNODJKWQLCCLH-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000896498865 591482318 /nfs/dbraw/zinc/48/23/18/591482318.db2.gz DTNODJKWQLCCLH-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000897481679 591487426 /nfs/dbraw/zinc/48/74/26/591487426.db2.gz HIAWTNGMUAXBBL-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000897481679 591487431 /nfs/dbraw/zinc/48/74/31/591487431.db2.gz HIAWTNGMUAXBBL-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000897483681 591489294 /nfs/dbraw/zinc/48/92/94/591489294.db2.gz SNZWSDRQOWNUDZ-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000897483681 591489298 /nfs/dbraw/zinc/48/92/98/591489298.db2.gz SNZWSDRQOWNUDZ-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517544 591517457 /nfs/dbraw/zinc/51/74/57/591517457.db2.gz AZQVVCVPVHBFTE-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+](CC)CCC(N)=O)CC1 ZINC000896715360 591592008 /nfs/dbraw/zinc/59/20/08/591592008.db2.gz RIXKWLIKSOQGSI-UHFFFAOYSA-N 1 3 332.492 1.916 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+](CC)CCC(N)=O)CC1 ZINC000896715360 591592010 /nfs/dbraw/zinc/59/20/10/591592010.db2.gz RIXKWLIKSOQGSI-UHFFFAOYSA-N 1 3 332.492 1.916 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749846 591602609 /nfs/dbraw/zinc/60/26/09/591602609.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896749846 591602613 /nfs/dbraw/zinc/60/26/13/591602613.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)(C)OC(=O)N1CC(O)(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895206457 591655982 /nfs/dbraw/zinc/65/59/82/591655982.db2.gz FELWMEFMVHOKLJ-KBPBESRZSA-N 1 3 325.453 1.185 20 0 EDADHO CC(C)(C)OC(=O)N1CC(O)(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000895206457 591655984 /nfs/dbraw/zinc/65/59/84/591655984.db2.gz FELWMEFMVHOKLJ-KBPBESRZSA-N 1 3 325.453 1.185 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@H](O)C2(O)CCOCC2)cc1 ZINC000899868258 591966183 /nfs/dbraw/zinc/96/61/83/591966183.db2.gz XBDIYDPNVXVYFO-SFHVURJKSA-N 1 3 336.476 1.520 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC[C@H](O)C2(O)CCOCC2)CC1 ZINC000899871110 591966835 /nfs/dbraw/zinc/96/68/35/591966835.db2.gz OEVSMPQPLXMCKS-IBGZPJMESA-N 1 3 348.487 1.451 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)c1=O ZINC000902378441 591984034 /nfs/dbraw/zinc/98/40/34/591984034.db2.gz ZTTGCFPTVMJDLQ-MRXNPFEDSA-N 1 3 347.507 1.600 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900336598 591987976 /nfs/dbraw/zinc/98/79/76/591987976.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 1 3 339.524 1.706 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900336598 591987979 /nfs/dbraw/zinc/98/79/79/591987979.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 1 3 339.524 1.706 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1CCN(C(C)C)CC1 ZINC000900705560 592099870 /nfs/dbraw/zinc/09/98/70/592099870.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 1 3 338.540 1.783 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCN1CCN(C(C)C)CC1 ZINC000900705560 592099871 /nfs/dbraw/zinc/09/98/71/592099871.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000903226070 592137188 /nfs/dbraw/zinc/13/71/88/592137188.db2.gz DHIDCJPJTUSLTN-QGZVFWFLSA-N 1 3 335.492 2.000 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)NC1CCCCCC1)C2 ZINC000903490636 592184396 /nfs/dbraw/zinc/18/43/96/592184396.db2.gz BHCDBNLIAZZPMU-IYOUNJFTSA-N 1 3 337.464 1.038 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493100 592185731 /nfs/dbraw/zinc/18/57/31/592185731.db2.gz UHCXHPATVAGXFE-ZDXGLAPJSA-N 1 3 343.427 1.004 20 0 EDADHO CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc1 ZINC000903525211 592197965 /nfs/dbraw/zinc/19/79/65/592197965.db2.gz DRSYUTAPMMIYMS-AEFFLSMTSA-N 1 3 332.448 1.217 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900990883 592198909 /nfs/dbraw/zinc/19/89/09/592198909.db2.gz CQIJTQUBWUSAFI-KRWDZBQOSA-N 1 3 339.505 1.485 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900990883 592198911 /nfs/dbraw/zinc/19/89/11/592198911.db2.gz CQIJTQUBWUSAFI-KRWDZBQOSA-N 1 3 339.505 1.485 20 0 EDADHO Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC000903527368 592205842 /nfs/dbraw/zinc/20/58/42/592205842.db2.gz WZJXHSHQSNDGMV-ZBFHGGJFSA-N 1 3 336.867 1.780 20 0 EDADHO Cn1ccc([C@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000903563476 592211123 /nfs/dbraw/zinc/21/11/23/592211123.db2.gz DRNXXZAOCFOCHM-LNLFQRSKSA-N 1 3 328.460 1.530 20 0 EDADHO Cn1ccc([C@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)n1 ZINC000903563476 592211126 /nfs/dbraw/zinc/21/11/26/592211126.db2.gz DRNXXZAOCFOCHM-LNLFQRSKSA-N 1 3 328.460 1.530 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC([C@]3(C)COC(=O)N3)CC2)cc1 ZINC000903564529 592211607 /nfs/dbraw/zinc/21/16/07/592211607.db2.gz YTHHMANBPFTGCO-BEFAXECRSA-N 1 3 347.459 1.948 20 0 EDADHO O=c1[nH]c2cccc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)c2[nH]1 ZINC000903577707 592228656 /nfs/dbraw/zinc/22/86/56/592228656.db2.gz RWRIBSNENCVILF-AWEZNQCLSA-N 1 3 329.448 1.780 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665559 592248253 /nfs/dbraw/zinc/24/82/53/592248253.db2.gz ZECRFUQGLGDOII-XJKSGUPXSA-N 1 3 346.475 1.618 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000904607896 592295114 /nfs/dbraw/zinc/29/51/14/592295114.db2.gz VRLUFHGERRXYTL-DLBZAZTESA-N 1 3 346.475 1.943 20 0 EDADHO C[NH+](C)CCOc1cc(-c2noc(C34CCC(CC3)N4)n2)ccn1 ZINC000904626649 592298384 /nfs/dbraw/zinc/29/83/84/592298384.db2.gz NSYNDQQLYNMUPU-UHFFFAOYSA-N 1 3 329.404 1.813 20 0 EDADHO Cc1cc(C2(NC[C@@H]3CC4(CO3)CC[NH2+]CC4)CCOCC2)on1 ZINC000903775314 592318097 /nfs/dbraw/zinc/31/80/97/592318097.db2.gz KIVJKBNOQCCINJ-HNNXBMFYSA-N 1 3 335.448 1.737 20 0 EDADHO NC(=O)Cc1cccc2c1CCN(C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903777521 592319458 /nfs/dbraw/zinc/31/94/58/592319458.db2.gz BXVNCEKNYTUWER-QGZVFWFLSA-N 1 3 343.471 1.231 20 0 EDADHO CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903781936 592321452 /nfs/dbraw/zinc/32/14/52/592321452.db2.gz XRDUHQHHKZQZFA-YQVWRLOYSA-N 1 3 345.443 1.712 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889640 592350999 /nfs/dbraw/zinc/35/09/99/592350999.db2.gz URYHKKGHJPOTSB-IRXDYDNUSA-N 1 3 342.491 1.675 20 0 EDADHO CCc1noc([C@@H](C)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903892643 592366512 /nfs/dbraw/zinc/36/65/12/592366512.db2.gz VNASJHDERGHXAZ-WZYMTQMTSA-N 1 3 333.480 1.841 20 0 EDADHO CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H](N)CC(F)F)CC1 ZINC000903919275 592377077 /nfs/dbraw/zinc/37/70/77/592377077.db2.gz CGZSAORUXNUHBN-OAHLLOKOSA-N 1 3 340.418 1.427 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202078 592379760 /nfs/dbraw/zinc/37/97/60/592379760.db2.gz IFEWPQOGSGVXLK-QZTJIDSGSA-N 1 3 331.460 1.081 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202078 592379763 /nfs/dbraw/zinc/37/97/63/592379763.db2.gz IFEWPQOGSGVXLK-QZTJIDSGSA-N 1 3 331.460 1.081 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC000903978492 592399418 /nfs/dbraw/zinc/39/94/18/592399418.db2.gz HHSOPLMRFQYVGG-KHYOSLBOSA-N 1 3 348.491 1.967 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098495 592404427 /nfs/dbraw/zinc/40/44/27/592404427.db2.gz SWBPVCLQJLLHFO-RBUKOAKNSA-N 1 3 332.488 1.807 20 0 EDADHO O[C@@H](CCC1(O)CCC1)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000905128613 592428232 /nfs/dbraw/zinc/42/82/32/592428232.db2.gz SQISYUYGEGJJKQ-RDJZCZTQSA-N 1 3 326.481 1.133 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000908524698 592520675 /nfs/dbraw/zinc/52/06/75/592520675.db2.gz HNGXUMRWCBQXKJ-FUHWJXTLSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000905734900 592631920 /nfs/dbraw/zinc/63/19/20/592631920.db2.gz XWYSBIXQFTULPV-ALKREAHSSA-N 1 3 342.443 1.038 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906450461 592824421 /nfs/dbraw/zinc/82/44/21/592824421.db2.gz DGXFTNMWZRZMJH-SOLBZPMBSA-N 1 3 336.524 1.344 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906450461 592824423 /nfs/dbraw/zinc/82/44/23/592824423.db2.gz DGXFTNMWZRZMJH-SOLBZPMBSA-N 1 3 336.524 1.344 20 0 EDADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1NCC[C@H]2CCCC[C@H]21 ZINC000911734485 592992421 /nfs/dbraw/zinc/99/24/21/592992421.db2.gz CJOWRYIQKPWRTD-QGPMSJSTSA-N 1 3 343.475 1.598 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000911884481 593030536 /nfs/dbraw/zinc/03/05/36/593030536.db2.gz QLZIKYOVQGBESZ-MAUKXSAKSA-N 1 3 349.475 1.134 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303548 593085115 /nfs/dbraw/zinc/08/51/15/593085115.db2.gz KMLBZRZCRGSDOT-KKUMJFAQSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303548 593085116 /nfs/dbraw/zinc/08/51/16/593085116.db2.gz KMLBZRZCRGSDOT-KKUMJFAQSA-N 1 3 335.496 1.464 20 0 EDADHO N[C@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859060 593641734 /nfs/dbraw/zinc/64/17/34/593641734.db2.gz OQWKVESHNNOKMS-HOTGVXAUSA-N 1 3 331.416 1.661 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000819004629 593733587 /nfs/dbraw/zinc/73/35/87/593733587.db2.gz RDHQSONOFGOWNB-XJKSGUPXSA-N 1 3 341.402 1.175 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052848 593735801 /nfs/dbraw/zinc/73/58/01/593735801.db2.gz FNDJRQUDEHLOCD-KSSFIOAISA-N 1 3 339.430 1.756 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1csc(C2CC2)n1 ZINC000824402075 594003147 /nfs/dbraw/zinc/00/31/47/594003147.db2.gz TWJSPERPAMQYBA-ZDUSSCGKSA-N 1 3 338.521 1.951 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1csc(C2CC2)n1 ZINC000824402075 594003149 /nfs/dbraw/zinc/00/31/49/594003149.db2.gz TWJSPERPAMQYBA-ZDUSSCGKSA-N 1 3 338.521 1.951 20 0 EDADHO COc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1 ZINC000824820431 594079712 /nfs/dbraw/zinc/07/97/12/594079712.db2.gz YREZERHCBCKUQV-INIZCTEOSA-N 1 3 335.492 1.934 20 0 EDADHO COc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1 ZINC000824820431 594079713 /nfs/dbraw/zinc/07/97/13/594079713.db2.gz YREZERHCBCKUQV-INIZCTEOSA-N 1 3 335.492 1.934 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)c(F)c1 ZINC000824826764 594080665 /nfs/dbraw/zinc/08/06/65/594080665.db2.gz PAGQFRDWQAFCCN-ZDUSSCGKSA-N 1 3 343.418 1.732 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)c(F)c1 ZINC000824826764 594080667 /nfs/dbraw/zinc/08/06/67/594080667.db2.gz PAGQFRDWQAFCCN-ZDUSSCGKSA-N 1 3 343.418 1.732 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000827023497 594625527 /nfs/dbraw/zinc/62/55/27/594625527.db2.gz CCNXCWXAKBPSAR-LJQANCHMSA-N 1 3 344.503 1.568 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1C ZINC000841004708 594837692 /nfs/dbraw/zinc/83/76/92/594837692.db2.gz NGGBFVDPLCOLJL-SFHVURJKSA-N 1 3 344.503 1.623 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841926927 594983364 /nfs/dbraw/zinc/98/33/64/594983364.db2.gz MKTQIDMRGSEFOS-GOSISDBHSA-N 1 3 332.492 1.802 20 0 EDADHO Cc1ccc2c(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475657 595115064 /nfs/dbraw/zinc/11/50/64/595115064.db2.gz XMVSQERLMLCYBH-QGZVFWFLSA-N 1 3 341.455 1.889 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000844169985 595290393 /nfs/dbraw/zinc/29/03/93/595290393.db2.gz DNUVFGINLIRVAX-ZWKOTPCHSA-N 1 3 331.460 1.489 20 0 EDADHO CN(C(=O)CNC[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183171 595294787 /nfs/dbraw/zinc/29/47/87/595294787.db2.gz UZNFHSDTRMMWGV-QGZVFWFLSA-N 1 3 335.448 1.358 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000848024886 595306198 /nfs/dbraw/zinc/30/61/98/595306198.db2.gz KRHXWLOIWOEDFE-BRWVUGGUSA-N 1 3 348.443 1.500 20 0 EDADHO [NH2+]=C(NCCNC(=O)C1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849055905 595476049 /nfs/dbraw/zinc/47/60/49/595476049.db2.gz KMJLWKKZNCRVFL-UHFFFAOYSA-N 1 3 343.475 1.291 20 0 EDADHO COC(=O)[C@@H](C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849074059 595478285 /nfs/dbraw/zinc/47/82/85/595478285.db2.gz BLYUVQBPGGSIIR-AWEZNQCLSA-N 1 3 332.448 1.574 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074151 595478292 /nfs/dbraw/zinc/47/82/92/595478292.db2.gz BBFPPWMGCKKFEJ-INIZCTEOSA-N 1 3 331.464 1.405 20 0 EDADHO COC[C@@H](C)NC(=[NH2+])NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000849117602 595484792 /nfs/dbraw/zinc/48/47/92/595484792.db2.gz MZDKPRZPRUSJKR-OAHLLOKOSA-N 1 3 334.464 1.162 20 0 EDADHO CCCNC(=[NH2+])NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000849117482 595485019 /nfs/dbraw/zinc/48/50/19/595485019.db2.gz GYMJVHJGEPBEMI-UHFFFAOYSA-N 1 3 331.464 1.408 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4C[C@@]4(CO)C3)CC2)CC1 ZINC000847851712 595492823 /nfs/dbraw/zinc/49/28/23/595492823.db2.gz XDPMCUVWDGJALJ-APWZRJJASA-N 1 3 335.492 1.024 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486799 595547974 /nfs/dbraw/zinc/54/79/74/595547974.db2.gz JAKVYKLJGBDUTC-MSOLQXFVSA-N 1 3 347.507 1.448 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522091 595558332 /nfs/dbraw/zinc/55/83/32/595558332.db2.gz JHXQXXHSQJIBOR-DJIMGWMZSA-N 1 3 333.480 1.056 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540373 595559559 /nfs/dbraw/zinc/55/95/59/595559559.db2.gz FIGCIYOEPXEPNE-ZWKOTPCHSA-N 1 3 349.523 1.692 20 0 EDADHO COc1ccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852854860 595577189 /nfs/dbraw/zinc/57/71/89/595577189.db2.gz RPLPDPKPOVBQOZ-RDJZCZTQSA-N 1 3 346.431 1.052 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602807 595590146 /nfs/dbraw/zinc/59/01/46/595590146.db2.gz QWCQGWJUOXYSRH-IRXDYDNUSA-N 1 3 347.507 1.446 20 0 EDADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106019 595701550 /nfs/dbraw/zinc/70/15/50/595701550.db2.gz QVYCRRPPNYIBQC-INIZCTEOSA-N 1 3 339.505 1.568 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000853250099 595720231 /nfs/dbraw/zinc/72/02/31/595720231.db2.gz ZWDMZKCCIKJNFK-HOTGVXAUSA-N 1 3 333.480 1.425 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000853250099 595720234 /nfs/dbraw/zinc/72/02/34/595720234.db2.gz ZWDMZKCCIKJNFK-HOTGVXAUSA-N 1 3 333.480 1.425 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852107877 596046995 /nfs/dbraw/zinc/04/69/95/596046995.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852107877 596046997 /nfs/dbraw/zinc/04/69/97/596046997.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 1 3 334.397 1.989 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000861630998 596052477 /nfs/dbraw/zinc/05/24/77/596052477.db2.gz XHYJYSZJXMGVNX-WDYCEAGBSA-N 1 3 330.476 1.948 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000861717807 596079136 /nfs/dbraw/zinc/07/91/36/596079136.db2.gz TZZYNAZSKGLNND-ROUUACIJSA-N 1 3 331.460 1.072 20 0 EDADHO CN1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180245 596177584 /nfs/dbraw/zinc/17/75/84/596177584.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 1 3 331.460 1.292 20 0 EDADHO CN1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180245 596177586 /nfs/dbraw/zinc/17/75/86/596177586.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 1 3 331.460 1.292 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)ccc2oc1=O ZINC000870876069 596385961 /nfs/dbraw/zinc/38/59/61/596385961.db2.gz WEUFGSOFPJEHEO-SOZUMNATSA-N 1 3 344.415 1.222 20 0 EDADHO COCC[C@H](C[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000865522241 596599406 /nfs/dbraw/zinc/59/94/06/596599406.db2.gz MDMIROJHDGEPQK-OAHLLOKOSA-N 1 3 327.469 1.768 20 0 EDADHO CC(C)(C)OC(=O)N(CC[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000863552754 596616008 /nfs/dbraw/zinc/61/60/08/596616008.db2.gz PEBYFMVFIKEMQW-OAHLLOKOSA-N 1 3 327.469 1.432 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664062 596649167 /nfs/dbraw/zinc/64/91/67/596649167.db2.gz QELLQEDITCELLZ-JSGCOSHPSA-N 1 3 335.383 1.692 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC000868156105 596704783 /nfs/dbraw/zinc/70/47/83/596704783.db2.gz VRQHSBCISSKAFX-GJZGRUSLSA-N 1 3 332.452 1.508 20 0 EDADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@@H]21 ZINC000868168777 596708698 /nfs/dbraw/zinc/70/86/98/596708698.db2.gz RXKUIDOHYDYEKN-BBRMVZONSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@@H]21 ZINC000868168777 596708701 /nfs/dbraw/zinc/70/87/01/596708701.db2.gz RXKUIDOHYDYEKN-BBRMVZONSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@H]21 ZINC000868168783 596708729 /nfs/dbraw/zinc/70/87/29/596708729.db2.gz RXKUIDOHYDYEKN-XJKSGUPXSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@H]21 ZINC000868168783 596708733 /nfs/dbraw/zinc/70/87/33/596708733.db2.gz RXKUIDOHYDYEKN-XJKSGUPXSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCCNC4)CC[C@@H]21 ZINC000868171513 596710054 /nfs/dbraw/zinc/71/00/54/596710054.db2.gz AIEZUSXUESDCFC-HOCLYGCPSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCCNC4)CC[C@@H]21 ZINC000868171513 596710055 /nfs/dbraw/zinc/71/00/55/596710055.db2.gz AIEZUSXUESDCFC-HOCLYGCPSA-N 1 3 330.432 1.727 20 0 EDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000872144908 596809916 /nfs/dbraw/zinc/80/99/16/596809916.db2.gz IGQGPOUUDJLFCV-OAGGEKHMSA-N 1 3 333.480 1.424 20 0 EDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000872144908 596809920 /nfs/dbraw/zinc/80/99/20/596809920.db2.gz IGQGPOUUDJLFCV-OAGGEKHMSA-N 1 3 333.480 1.424 20 0 EDADHO CCOC(=O)C1=CC[C@@H](NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216022 596839997 /nfs/dbraw/zinc/83/99/97/596839997.db2.gz MBYMONSIWOHOFJ-UYAOXDASSA-N 1 3 344.455 1.865 20 0 EDADHO CCOC(=O)C1=CC[C@@H](NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216022 596839999 /nfs/dbraw/zinc/83/99/99/596839999.db2.gz MBYMONSIWOHOFJ-UYAOXDASSA-N 1 3 344.455 1.865 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000874830030 597188182 /nfs/dbraw/zinc/18/81/82/597188182.db2.gz PYXOXLHVOQZFAI-BRWVUGGUSA-N 1 3 337.533 1.899 20 0 EDADHO NCc1cn(-c2cccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000873215959 597230596 /nfs/dbraw/zinc/23/05/96/597230596.db2.gz HNTHNHVPODARKU-GBESFXJTSA-N 1 3 340.475 1.736 20 0 EDADHO NCc1cn(-c2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)nn1 ZINC000873244681 597238219 /nfs/dbraw/zinc/23/82/19/597238219.db2.gz UTHVDXTVBGFKDZ-UHFFFAOYSA-N 1 3 343.431 1.501 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCCC[C@H]1C ZINC000875071808 597269572 /nfs/dbraw/zinc/26/95/72/597269572.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 1 3 340.512 1.394 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCCC[C@H]1C ZINC000875071808 597269575 /nfs/dbraw/zinc/26/95/75/597269575.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 1 3 340.512 1.394 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CN(C)C ZINC000876776762 597336340 /nfs/dbraw/zinc/33/63/40/597336340.db2.gz QKYDUWGGSOZNMU-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CN(C)C ZINC000876776762 597336342 /nfs/dbraw/zinc/33/63/42/597336342.db2.gz QKYDUWGGSOZNMU-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876782452 597338406 /nfs/dbraw/zinc/33/84/06/597338406.db2.gz RKDZBNHKYQZLBC-AEFFLSMTSA-N 1 3 329.448 1.304 20 0 EDADHO CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206289 597462082 /nfs/dbraw/zinc/46/20/82/597462082.db2.gz GFJMFVBXDNHMBJ-INIZCTEOSA-N 1 3 342.447 1.120 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)C[C@H]1C(F)(F)F ZINC000877355108 597499555 /nfs/dbraw/zinc/49/95/55/597499555.db2.gz GSXANYWBYQBJPU-MRVWCRGKSA-N 1 3 327.350 1.817 20 0 EDADHO CC(=O)Oc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000879593642 597649815 /nfs/dbraw/zinc/64/98/15/597649815.db2.gz IQUARVCVFQXSNX-UHFFFAOYSA-N 1 3 331.460 1.824 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427270 597743274 /nfs/dbraw/zinc/74/32/74/597743274.db2.gz MTGPJRZFCKGJIM-HOTGVXAUSA-N 1 3 339.480 1.034 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000889332982 597942027 /nfs/dbraw/zinc/94/20/27/597942027.db2.gz PVXZDMUJODVVBK-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000889332982 597942029 /nfs/dbraw/zinc/94/20/29/597942029.db2.gz PVXZDMUJODVVBK-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000884194024 598022809 /nfs/dbraw/zinc/02/28/09/598022809.db2.gz WZUYJXVMGMGGBR-CQSZACIVSA-N 1 3 325.522 1.710 20 0 EDADHO COCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000884222012 598033951 /nfs/dbraw/zinc/03/39/51/598033951.db2.gz GATAMPQNQOTLOG-NVXWUHKLSA-N 1 3 349.475 1.366 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914075980 695071692 /nfs/dbraw/zinc/07/16/92/695071692.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914075980 695071696 /nfs/dbraw/zinc/07/16/96/695071696.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857007 700008136 /nfs/dbraw/zinc/00/81/36/700008136.db2.gz OQPOQJXPIMENLE-URSIVYNOSA-N 1 3 335.492 1.334 20 0 EDADHO C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)C1 ZINC000915694424 695972304 /nfs/dbraw/zinc/97/23/04/695972304.db2.gz LEBPLXIHXQILJB-AEFFLSMTSA-N 1 3 337.508 1.414 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948064415 696598578 /nfs/dbraw/zinc/59/85/78/696598578.db2.gz CDVBWPUWANAXDR-NVXWUHKLSA-N 1 3 333.476 1.977 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC000948064415 696598579 /nfs/dbraw/zinc/59/85/79/696598579.db2.gz CDVBWPUWANAXDR-NVXWUHKLSA-N 1 3 333.476 1.977 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCO ZINC000994493472 696933790 /nfs/dbraw/zinc/93/37/90/696933790.db2.gz DGLXBBJBWXTVQR-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCO ZINC000994493472 696933791 /nfs/dbraw/zinc/93/37/91/696933791.db2.gz DGLXBBJBWXTVQR-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2)N(C)C ZINC001040835732 697232855 /nfs/dbraw/zinc/23/28/55/697232855.db2.gz NXNFGLOGKWCOEM-HZPDHXFCSA-N 1 3 325.497 1.268 20 0 EDADHO C[NH+]1CCC(NC(=S)N2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000920309648 697419494 /nfs/dbraw/zinc/41/94/94/697419494.db2.gz JKJXRXMCALPFFC-INIZCTEOSA-N 1 3 340.537 1.142 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031689342 697531016 /nfs/dbraw/zinc/53/10/16/697531016.db2.gz TXDKJHMRVIRNCZ-MSOLQXFVSA-N 1 3 333.476 1.398 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031689342 697531018 /nfs/dbraw/zinc/53/10/18/697531018.db2.gz TXDKJHMRVIRNCZ-MSOLQXFVSA-N 1 3 333.476 1.398 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940110293 700223876 /nfs/dbraw/zinc/22/38/76/700223876.db2.gz WBGXORIKQQBTTF-INIZCTEOSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940110293 700223879 /nfs/dbraw/zinc/22/38/79/700223879.db2.gz WBGXORIKQQBTTF-INIZCTEOSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000940117426 700250001 /nfs/dbraw/zinc/25/00/01/700250001.db2.gz RYVZYABAMZYKIC-CZUORRHYSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000940117426 700250002 /nfs/dbraw/zinc/25/00/02/700250002.db2.gz RYVZYABAMZYKIC-CZUORRHYSA-N 1 3 334.464 1.794 20 0 EDADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213483 699363478 /nfs/dbraw/zinc/36/34/78/699363478.db2.gz DPULPXUQAXUZIQ-PXAZEXFGSA-N 1 3 348.397 1.910 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941676881 701615576 /nfs/dbraw/zinc/61/55/76/701615576.db2.gz GKRUPDYGPLJSET-IYBDPMFKSA-N 1 3 334.508 1.098 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941676881 701615577 /nfs/dbraw/zinc/61/55/77/701615577.db2.gz GKRUPDYGPLJSET-IYBDPMFKSA-N 1 3 334.508 1.098 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012120 699953424 /nfs/dbraw/zinc/95/34/24/699953424.db2.gz DSERHOXAJMJWFW-JKSUJKDBSA-N 1 3 346.475 1.986 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1ccns1 ZINC000939809891 699958308 /nfs/dbraw/zinc/95/83/08/699958308.db2.gz KIKYNZSBPFFBME-HOCLYGCPSA-N 1 3 336.505 1.956 20 0 EDADHO Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000940179075 700312721 /nfs/dbraw/zinc/31/27/21/700312721.db2.gz QRYGYXBGAHOIEC-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001031875373 700352942 /nfs/dbraw/zinc/35/29/42/700352942.db2.gz PHIBQZPYNUCDCA-SFHVURJKSA-N 1 3 347.503 1.877 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(C)(NCc3nccn3C)CC2)CC[N@@H+]1C ZINC000940282056 700470740 /nfs/dbraw/zinc/47/07/40/700470740.db2.gz FWOKTESLWINKOV-HOTGVXAUSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(C)(NCc3nccn3C)CC2)CC[N@H+]1C ZINC000940282056 700470743 /nfs/dbraw/zinc/47/07/43/700470743.db2.gz FWOKTESLWINKOV-HOTGVXAUSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940329528 700508885 /nfs/dbraw/zinc/50/88/85/700508885.db2.gz VEECTIMIDMIRHA-GXTWGEPZSA-N 1 3 337.493 1.207 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940329528 700508887 /nfs/dbraw/zinc/50/88/87/700508887.db2.gz VEECTIMIDMIRHA-GXTWGEPZSA-N 1 3 337.493 1.207 20 0 EDADHO Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000940329666 700509096 /nfs/dbraw/zinc/50/90/96/700509096.db2.gz WIJLAIBZQSNQDN-CQSZACIVSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000940329882 700509462 /nfs/dbraw/zinc/50/94/62/700509462.db2.gz ZEFUMMKYZOGIBG-OAHLLOKOSA-N 1 3 345.491 1.740 20 0 EDADHO CC(C)n1ccc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457730 700661539 /nfs/dbraw/zinc/66/15/39/700661539.db2.gz ROVYCWFDKCLAPH-INIZCTEOSA-N 1 3 347.507 1.886 20 0 EDADHO CC(C)n1ccc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457730 700661540 /nfs/dbraw/zinc/66/15/40/700661540.db2.gz ROVYCWFDKCLAPH-INIZCTEOSA-N 1 3 347.507 1.886 20 0 EDADHO CC(C)n1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940461764 700664927 /nfs/dbraw/zinc/66/49/27/700664927.db2.gz JQMBJZIUNSRDGH-HNNXBMFYSA-N 1 3 348.495 1.281 20 0 EDADHO CC(C)n1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940461764 700664928 /nfs/dbraw/zinc/66/49/28/700664928.db2.gz JQMBJZIUNSRDGH-HNNXBMFYSA-N 1 3 348.495 1.281 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCCC1 ZINC000940746856 700873008 /nfs/dbraw/zinc/87/30/08/700873008.db2.gz CIHZAVCNXHZMQP-MRXNPFEDSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCCC1 ZINC000940746856 700873009 /nfs/dbraw/zinc/87/30/09/700873009.db2.gz CIHZAVCNXHZMQP-MRXNPFEDSA-N 1 3 339.524 1.850 20 0 EDADHO Cn1nccc1CN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221032 701411484 /nfs/dbraw/zinc/41/14/84/701411484.db2.gz KNYGFMGQKLBMAY-MRXNPFEDSA-N 1 3 333.480 1.233 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345316 701480875 /nfs/dbraw/zinc/48/08/75/701480875.db2.gz RMYIFBAYRLVWJR-SFHVURJKSA-N 1 3 348.535 1.345 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2ccns2)C1 ZINC000999177359 706619782 /nfs/dbraw/zinc/61/97/82/706619782.db2.gz XZPVDHSHYDVZRF-HOCLYGCPSA-N 1 3 334.489 1.566 20 0 EDADHO Cc1ncsc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190818 706633583 /nfs/dbraw/zinc/63/35/83/706633583.db2.gz UKXYDTPNTSSLAW-QLFBSQMISA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncsc1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190818 706633586 /nfs/dbraw/zinc/63/35/86/706633586.db2.gz UKXYDTPNTSSLAW-QLFBSQMISA-N 1 3 336.505 1.872 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1cncs1 ZINC000995822303 702091657 /nfs/dbraw/zinc/09/16/57/702091657.db2.gz JZNMEXQAJZFDKO-JKSUJKDBSA-N 1 3 348.516 1.812 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001032207382 702185004 /nfs/dbraw/zinc/18/50/04/702185004.db2.gz OZADFOJNBWJHAH-BEFAXECRSA-N 1 3 345.487 1.977 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995916751 702278299 /nfs/dbraw/zinc/27/82/99/702278299.db2.gz JWCMJWDGSWLWHJ-QGZVFWFLSA-N 1 3 347.507 1.539 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(C[C@@H]3CCCCO3)C2)CC1 ZINC001015929922 702319983 /nfs/dbraw/zinc/31/99/83/702319983.db2.gz FMXWCJUVWCZDNP-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996243103 702647145 /nfs/dbraw/zinc/64/71/45/702647145.db2.gz CCNHZAVLJPPKTO-JKSUJKDBSA-N 1 3 335.496 1.333 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293003 702685032 /nfs/dbraw/zinc/68/50/32/702685032.db2.gz AEFCBTRPPDQPIA-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301976 702694166 /nfs/dbraw/zinc/69/41/66/702694166.db2.gz VRKJZXFJNQVFGX-NVXWUHKLSA-N 1 3 347.507 1.274 20 0 EDADHO Cc1nc(CN[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)n[nH]1 ZINC000996385881 702749879 /nfs/dbraw/zinc/74/98/79/702749879.db2.gz LXCLGYRVKJRWLG-HNNXBMFYSA-N 1 3 348.495 1.172 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCOC)CC2 ZINC001040952972 702779183 /nfs/dbraw/zinc/77/91/83/702779183.db2.gz HJQWBSBPSDHVKX-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000996618353 702925074 /nfs/dbraw/zinc/92/50/74/702925074.db2.gz FLFWVMOXAMRKJI-ROUUACIJSA-N 1 3 349.519 1.866 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623060 702928328 /nfs/dbraw/zinc/92/83/28/702928328.db2.gz UZOUCYYDFJSWQX-MSOLQXFVSA-N 1 3 344.459 1.025 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669519 702971081 /nfs/dbraw/zinc/97/10/81/702971081.db2.gz GPIVLIUXCZONJY-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996679029 702977761 /nfs/dbraw/zinc/97/77/61/702977761.db2.gz POKKHTMANYPQNY-QGZVFWFLSA-N 1 3 331.464 1.206 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000996692489 702989764 /nfs/dbraw/zinc/98/97/64/702989764.db2.gz NFXGQDLRJLJWFF-RDJZCZTQSA-N 1 3 325.497 1.580 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(OC)ns2)CC1)N(C)C ZINC000996710398 703003007 /nfs/dbraw/zinc/00/30/07/703003007.db2.gz CYEHCGNWMUKNBO-CQSZACIVSA-N 1 3 340.493 1.573 20 0 EDADHO COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC000996727136 703022126 /nfs/dbraw/zinc/02/21/26/703022126.db2.gz DSGZBGMGGIZXRG-INIZCTEOSA-N 1 3 347.463 1.050 20 0 EDADHO C[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558586 703063117 /nfs/dbraw/zinc/06/31/17/703063117.db2.gz YSINGMLYRRGNHZ-SJORKVTESA-N 1 3 347.507 1.584 20 0 EDADHO C[C@@H]1C[N@@H+](CCn2cccn2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558586 703063120 /nfs/dbraw/zinc/06/31/20/703063120.db2.gz YSINGMLYRRGNHZ-SJORKVTESA-N 1 3 347.507 1.584 20 0 EDADHO CCN1CC[NH+](C2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000996789978 703082491 /nfs/dbraw/zinc/08/24/91/703082491.db2.gz TXMHOBBGKGPXND-AOCRQIFASA-N 1 3 336.524 1.536 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998341 703255330 /nfs/dbraw/zinc/25/53/30/703255330.db2.gz IKDOGCOFASIGPK-AWEZNQCLSA-N 1 3 336.505 1.751 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996936 703260421 /nfs/dbraw/zinc/26/04/21/703260421.db2.gz CDDMRDOULBCWDX-HNNXBMFYSA-N 1 3 333.480 1.028 20 0 EDADHO Cc1ncsc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997006338 703263302 /nfs/dbraw/zinc/26/33/02/703263302.db2.gz KZCMIBBKDAHSGB-CYBMUJFWSA-N 1 3 336.505 1.874 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997363415 703597169 /nfs/dbraw/zinc/59/71/69/703597169.db2.gz FQOGBUFWFVJFGD-UHFFFAOYSA-N 1 3 347.507 1.860 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N[C@@H](C)c2nncn2C)CC1 ZINC000997366700 703600336 /nfs/dbraw/zinc/60/03/36/703600336.db2.gz JTPBUHZUVIDQJA-GOEBONIOSA-N 1 3 348.495 1.331 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N[C@@H](C)c2nncn2C)CC1 ZINC000997366700 703600338 /nfs/dbraw/zinc/60/03/38/703600338.db2.gz JTPBUHZUVIDQJA-GOEBONIOSA-N 1 3 348.495 1.331 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615482 703914901 /nfs/dbraw/zinc/91/49/01/703914901.db2.gz XGZGUXDXXHOWSX-RDJZCZTQSA-N 1 3 325.497 1.460 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033080190 704145516 /nfs/dbraw/zinc/14/55/16/704145516.db2.gz FDVFXERSGMJNNJ-FUHWJXTLSA-N 1 3 335.492 1.430 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H]2CCCOC2)CC1 ZINC001032710722 706799468 /nfs/dbraw/zinc/79/94/68/706799468.db2.gz NPSGEBIXNDERNS-NEWSRXKRSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CC1 ZINC000997824499 704744025 /nfs/dbraw/zinc/74/40/25/704744025.db2.gz SZHBSXCZUQWBQR-SFHVURJKSA-N 1 3 337.508 1.581 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932342 705041698 /nfs/dbraw/zinc/04/16/98/705041698.db2.gz VKZIRJWBQPLMSR-TVRKMHQQSA-N 1 3 333.476 1.088 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001032587358 705113108 /nfs/dbraw/zinc/11/31/08/705113108.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)CC[N@H+]1C ZINC001032587358 705113109 /nfs/dbraw/zinc/11/31/09/705113109.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 1 3 335.492 1.428 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCC(CNCc3nccs3)CC2)CC1 ZINC000998027061 705214234 /nfs/dbraw/zinc/21/42/34/705214234.db2.gz FMPOJVCKICWJCX-UHFFFAOYSA-N 1 3 336.505 1.813 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082088 705308620 /nfs/dbraw/zinc/30/86/20/705308620.db2.gz NNHQOZQBZLFGDJ-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000998221890 705548056 /nfs/dbraw/zinc/54/80/56/705548056.db2.gz JCMXIEKYGCLSJJ-UHFFFAOYSA-N 1 3 332.448 1.407 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547954 705982593 /nfs/dbraw/zinc/98/25/93/705982593.db2.gz CXOIJWNIVYNEER-YMAMQOFZSA-N 1 3 336.867 1.908 20 0 EDADHO COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)ccn1 ZINC000998725735 706160462 /nfs/dbraw/zinc/16/04/62/706160462.db2.gz XWNJNVRRBAWXOT-JKSUJKDBSA-N 1 3 332.448 1.265 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998780571 706221503 /nfs/dbraw/zinc/22/15/03/706221503.db2.gz QCZSVAJWUDFPKG-VJFUWPCTSA-N 1 3 343.475 1.206 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC000998790791 706237511 /nfs/dbraw/zinc/23/75/11/706237511.db2.gz GBEPNPXASMKKCG-ZGUYJTEBSA-N 1 3 345.491 1.594 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000998790791 706237513 /nfs/dbraw/zinc/23/75/13/706237513.db2.gz GBEPNPXASMKKCG-ZGUYJTEBSA-N 1 3 345.491 1.594 20 0 EDADHO Cc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518148 706550742 /nfs/dbraw/zinc/55/07/42/706550742.db2.gz OQERZOIVNGLGGD-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518148 706550743 /nfs/dbraw/zinc/55/07/43/706550743.db2.gz OQERZOIVNGLGGD-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999146084 706559979 /nfs/dbraw/zinc/55/99/79/706559979.db2.gz UWKWGBGMXMIHDU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999374853 706869135 /nfs/dbraw/zinc/86/91/35/706869135.db2.gz SCBSYZQKSWEZNM-ZWKOTPCHSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000999379553 706873438 /nfs/dbraw/zinc/87/34/38/706873438.db2.gz ZHYRUZIWWQKKPJ-ROUUACIJSA-N 1 3 347.507 1.421 20 0 EDADHO Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999363420 706876855 /nfs/dbraw/zinc/87/68/55/706876855.db2.gz HJEUYGMYORDGRT-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)N(C)C ZINC000999419757 706914344 /nfs/dbraw/zinc/91/43/44/706914344.db2.gz FXZZSCIGWVIKPQ-IRXDYDNUSA-N 1 3 335.496 1.129 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406845 706916147 /nfs/dbraw/zinc/91/61/47/706916147.db2.gz SNRINFJFRSVWMU-IUDNXUCKSA-N 1 3 331.464 1.348 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406845 706916148 /nfs/dbraw/zinc/91/61/48/706916148.db2.gz SNRINFJFRSVWMU-IUDNXUCKSA-N 1 3 331.464 1.348 20 0 EDADHO Cc1nc(CC[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cs1 ZINC000999468696 706977842 /nfs/dbraw/zinc/97/78/42/706977842.db2.gz HZLOCWCHUPDGQA-UHFFFAOYSA-N 1 3 333.461 1.539 20 0 EDADHO CC[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1)OC ZINC000946784843 707315897 /nfs/dbraw/zinc/31/58/97/707315897.db2.gz WZTRTQWRRUCYJJ-MHORFTMASA-N 1 3 339.524 1.922 20 0 EDADHO CC[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1)OC ZINC000946784843 707315902 /nfs/dbraw/zinc/31/59/02/707315902.db2.gz WZTRTQWRRUCYJJ-MHORFTMASA-N 1 3 339.524 1.922 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276668 707341206 /nfs/dbraw/zinc/34/12/06/707341206.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276668 707341209 /nfs/dbraw/zinc/34/12/09/707341209.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 1 3 349.519 1.819 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946800576 707452090 /nfs/dbraw/zinc/45/20/90/707452090.db2.gz FOCHQOVKLAWQEF-SOLBZPMBSA-N 1 3 346.475 1.692 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946800576 707452092 /nfs/dbraw/zinc/45/20/92/707452092.db2.gz FOCHQOVKLAWQEF-SOLBZPMBSA-N 1 3 346.475 1.692 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999832853 707463965 /nfs/dbraw/zinc/46/39/65/707463965.db2.gz JJTWXUJHWSSCDS-UHFFFAOYSA-N 1 3 331.460 1.354 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999833655 707465671 /nfs/dbraw/zinc/46/56/71/707465671.db2.gz OTRROUZXICKPIJ-ABHNRTSZSA-N 1 3 337.508 1.602 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001000018689 707644996 /nfs/dbraw/zinc/64/49/96/707644996.db2.gz CVVIXUKFHNZVFV-JCGIZDLHSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC001000018689 707644999 /nfs/dbraw/zinc/64/49/99/707644999.db2.gz CVVIXUKFHNZVFV-JCGIZDLHSA-N 1 3 345.491 1.596 20 0 EDADHO CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCN(CCCO)C1 ZINC001033440667 707870202 /nfs/dbraw/zinc/87/02/02/707870202.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 1 3 345.487 1.247 20 0 EDADHO CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1CCN(CCCO)C1 ZINC001033440667 707870206 /nfs/dbraw/zinc/87/02/06/707870206.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 1 3 345.487 1.247 20 0 EDADHO COC[C@@H](C)N1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574950 708249101 /nfs/dbraw/zinc/24/91/01/708249101.db2.gz NYYOVAPHRWKDDP-CRAIPNDOSA-N 1 3 337.508 1.676 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001833964 708360102 /nfs/dbraw/zinc/36/01/02/708360102.db2.gz NEWGRZYLAWUIBR-CXAGYDPISA-N 1 3 348.491 1.817 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001833964 708360105 /nfs/dbraw/zinc/36/01/05/708360105.db2.gz NEWGRZYLAWUIBR-CXAGYDPISA-N 1 3 348.491 1.817 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892399 708507758 /nfs/dbraw/zinc/50/77/58/708507758.db2.gz PELKFNPKNDPAPZ-GOSISDBHSA-N 1 3 335.492 1.763 20 0 EDADHO CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033835639 708863169 /nfs/dbraw/zinc/86/31/69/708863169.db2.gz CBYPQHDBHJQTDR-KRWDZBQOSA-N 1 3 347.507 1.947 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@@H+]1C ZINC001002858737 709466442 /nfs/dbraw/zinc/46/64/42/709466442.db2.gz FQHRLVCBWICKEO-DLBZAZTESA-N 1 3 333.480 1.194 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@H+]1C ZINC001002858737 709466444 /nfs/dbraw/zinc/46/64/44/709466444.db2.gz FQHRLVCBWICKEO-DLBZAZTESA-N 1 3 333.480 1.194 20 0 EDADHO O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321554 709771992 /nfs/dbraw/zinc/77/19/92/709771992.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321554 709771997 /nfs/dbraw/zinc/77/19/97/709771997.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 1 3 347.503 1.620 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001034339482 709801602 /nfs/dbraw/zinc/80/16/02/709801602.db2.gz GZPBATQIIFUXPJ-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001034339482 709801607 /nfs/dbraw/zinc/80/16/07/709801607.db2.gz GZPBATQIIFUXPJ-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491391 710111422 /nfs/dbraw/zinc/11/14/22/710111422.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 1 3 347.507 1.275 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491391 710111426 /nfs/dbraw/zinc/11/14/26/710111426.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 1 3 347.507 1.275 20 0 EDADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282396 /nfs/dbraw/zinc/28/23/96/710282396.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 1 3 349.450 1.534 20 0 EDADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282400 /nfs/dbraw/zinc/28/24/00/710282400.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 1 3 349.450 1.534 20 0 EDADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282402 /nfs/dbraw/zinc/28/24/02/710282402.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 1 3 349.450 1.534 20 0 EDADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032839777 710282405 /nfs/dbraw/zinc/28/24/05/710282405.db2.gz ZNHWJMRLRYCYDU-SQNIBIBYSA-N 1 3 349.450 1.534 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626438 710455533 /nfs/dbraw/zinc/45/55/33/710455533.db2.gz OUDPWDSNURBZOX-MRXNPFEDSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628431 710458138 /nfs/dbraw/zinc/45/81/38/710458138.db2.gz PNINWGVKKJYLBU-HNNXBMFYSA-N 1 3 333.480 1.028 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034717216 710864184 /nfs/dbraw/zinc/86/41/84/710864184.db2.gz LBQFYSMXVSGSCY-HDJSIYSDSA-N 1 3 347.419 1.555 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001034721930 710888956 /nfs/dbraw/zinc/88/89/56/710888956.db2.gz RUEANLZMADCIMB-QAQDUYKDSA-N 1 3 347.507 1.762 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001034777414 711056346 /nfs/dbraw/zinc/05/63/46/711056346.db2.gz KDLNMZAXTZROAL-BPLDGKMQSA-N 1 3 346.479 1.287 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)C1 ZINC001003969407 711116162 /nfs/dbraw/zinc/11/61/62/711116162.db2.gz WWKNNKLRXHNKCB-SJLPKXTDSA-N 1 3 347.507 1.584 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034792410 711119361 /nfs/dbraw/zinc/11/93/61/711119361.db2.gz JCKDASCCRFSKPN-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034792410 711119365 /nfs/dbraw/zinc/11/93/65/711119365.db2.gz JCKDASCCRFSKPN-BZUAXINKSA-N 1 3 331.464 1.254 20 0 EDADHO CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792367 711119565 /nfs/dbraw/zinc/11/95/65/711119565.db2.gz HEYQXHQYMAFMQF-ULQDDVLXSA-N 1 3 347.507 1.933 20 0 EDADHO CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792367 711119567 /nfs/dbraw/zinc/11/95/67/711119567.db2.gz HEYQXHQYMAFMQF-ULQDDVLXSA-N 1 3 347.507 1.933 20 0 EDADHO Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001034958132 711431295 /nfs/dbraw/zinc/43/12/95/711431295.db2.gz AYVCFRSYPATTJP-MSOLQXFVSA-N 1 3 330.476 1.811 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4n3CCC4)C2)[C@H]1C(C)C ZINC000922393931 711459817 /nfs/dbraw/zinc/45/98/17/711459817.db2.gz LQGXYKGUUIFVQE-PSBWJHGTSA-N 1 3 332.492 1.789 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4n3CCC4)C2)[C@H]1C(C)C ZINC000922393931 711459820 /nfs/dbraw/zinc/45/98/20/711459820.db2.gz LQGXYKGUUIFVQE-PSBWJHGTSA-N 1 3 332.492 1.789 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395537 711469055 /nfs/dbraw/zinc/46/90/55/711469055.db2.gz SSBRURNINFRVIU-OWYHZJEWSA-N 1 3 332.492 1.789 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395537 711469056 /nfs/dbraw/zinc/46/90/56/711469056.db2.gz SSBRURNINFRVIU-OWYHZJEWSA-N 1 3 332.492 1.789 20 0 EDADHO CN(CCCN(C)CC(=O)N(C)C1CCCCC1)CC[NH+](C)C ZINC000344072340 282091500 /nfs/dbraw/zinc/09/15/00/282091500.db2.gz SLNJCWLBVJKZDM-UHFFFAOYSA-N 1 3 326.529 1.593 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000051758575 214104283 /nfs/dbraw/zinc/10/42/83/214104283.db2.gz DXKBFSZUMYZKMR-GASCZTMLSA-N 1 3 338.496 1.364 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906278 282105357 /nfs/dbraw/zinc/10/53/57/282105357.db2.gz JLCGCTCVUUZKCD-ZWKOTPCHSA-N 1 3 332.492 1.728 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)c1ccc(F)cc1F ZINC000180940609 529903636 /nfs/dbraw/zinc/90/36/36/529903636.db2.gz FYMMEXDGCAYEQM-SFHVURJKSA-N 1 3 341.446 1.956 20 0 EDADHO CCCN(CC)CC(=O)N1CCN(C(=O)C[N@H+](CC)CCC)CC1 ZINC000434829160 305131309 /nfs/dbraw/zinc/13/13/09/305131309.db2.gz PCCSFCYJYFCMDV-UHFFFAOYSA-N 1 3 340.512 1.121 20 0 EDADHO CCCN(CC)CC(=O)N1CCN(C(=O)C[N@@H+](CC)CCC)CC1 ZINC000434829160 305131310 /nfs/dbraw/zinc/13/13/10/305131310.db2.gz PCCSFCYJYFCMDV-UHFFFAOYSA-N 1 3 340.512 1.121 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989718 539772159 /nfs/dbraw/zinc/77/21/59/539772159.db2.gz PKRKPIYPHXSKLM-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000561978875 306291766 /nfs/dbraw/zinc/29/17/66/306291766.db2.gz NWWGSJNIRSXEPU-MRXNPFEDSA-N 1 3 348.491 1.033 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000562707367 306306563 /nfs/dbraw/zinc/30/65/63/306306563.db2.gz LQRQAQAVFVODCG-KBAYOESNSA-N 1 3 337.508 1.769 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000562939935 306313037 /nfs/dbraw/zinc/31/30/37/306313037.db2.gz UBZXSVPPTCAGKD-UHFFFAOYSA-N 1 3 342.491 1.902 20 0 EDADHO CCCN(C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000417742573 283001992 /nfs/dbraw/zinc/00/19/92/283001992.db2.gz VYMBBKCSBWEOJG-SFHVURJKSA-N 1 3 344.503 1.869 20 0 EDADHO CN1CC[C@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623824 283166794 /nfs/dbraw/zinc/16/67/94/283166794.db2.gz ZYBOOPVOCPVTBF-SWGHUGEVSA-N 1 3 346.519 1.877 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644815 306361674 /nfs/dbraw/zinc/36/16/74/306361674.db2.gz LUPHSTQMIUDXJI-HZPDHXFCSA-N 1 3 326.510 1.209 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020275 306396826 /nfs/dbraw/zinc/39/68/26/306396826.db2.gz KTONQMUSIDLDQX-QZTJIDSGSA-N 1 3 344.503 1.975 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000566171399 306401691 /nfs/dbraw/zinc/40/16/91/306401691.db2.gz BTLDWBGOTUXUFI-UHFFFAOYSA-N 1 3 335.448 1.852 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000566179033 306402129 /nfs/dbraw/zinc/40/21/29/306402129.db2.gz MFCCTTVVCUTVFH-FUHWJXTLSA-N 1 3 331.460 1.082 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000414722842 304132894 /nfs/dbraw/zinc/13/28/94/304132894.db2.gz APFUGJVCVKWQAZ-UHFFFAOYSA-N 1 3 332.448 1.145 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000414743992 304135991 /nfs/dbraw/zinc/13/59/91/304135991.db2.gz WCRKQTJVXZZJFI-KRWDZBQOSA-N 1 3 344.459 1.431 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810955 296109510 /nfs/dbraw/zinc/10/95/10/296109510.db2.gz MLZZRCDWEQEFDL-FUHWJXTLSA-N 1 3 335.492 1.478 20 0 EDADHO FC(F)Oc1cc2c(cc1CNCCCN1CC[NH2+]CC1)OCO2 ZINC000414779748 304139789 /nfs/dbraw/zinc/13/97/89/304139789.db2.gz KEJYWUYGAVFLTG-UHFFFAOYSA-N 1 3 343.374 1.402 20 0 EDADHO CN(c1ccccc1CNC[C@@H]1C[NH2+]CCCO1)C1CCN(C)CC1 ZINC000415049338 304154666 /nfs/dbraw/zinc/15/46/66/304154666.db2.gz XYEJJGQUGNSSLM-IBGZPJMESA-N 1 3 346.519 1.685 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@@H](C)O1 ZINC000194829872 139000924 /nfs/dbraw/zinc/00/09/24/139000924.db2.gz GTGRLLIOPMFVOX-CHWSQXEVSA-N 1 3 340.493 1.264 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)cc1 ZINC000415139070 304163523 /nfs/dbraw/zinc/16/35/23/304163523.db2.gz HXXIWCBJRPOGEB-XEZPLFJOSA-N 1 3 330.432 1.340 20 0 EDADHO COc1cc(CNC(=O)[C@@H](N)CC(C)C)ccc1OCC[NH+](C)C ZINC000237130799 139041591 /nfs/dbraw/zinc/04/15/91/139041591.db2.gz BMXKFEOWILNIDV-HNNXBMFYSA-N 1 3 337.464 1.625 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834693 220201445 /nfs/dbraw/zinc/20/14/45/220201445.db2.gz JHIRJDVAQKZWIU-INIZCTEOSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000238018446 139066754 /nfs/dbraw/zinc/06/67/54/139066754.db2.gz MRTUQLGZAUUAJD-LJQANCHMSA-N 1 3 344.503 1.453 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000238052550 139067696 /nfs/dbraw/zinc/06/76/96/139067696.db2.gz USTRELVXCDRREI-QGZVFWFLSA-N 1 3 333.501 1.646 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000111848001 220208258 /nfs/dbraw/zinc/20/82/58/220208258.db2.gz TWOXZJVLFMLOBH-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000111866550 220214193 /nfs/dbraw/zinc/21/41/93/220214193.db2.gz CZHFTDPTFZJBBZ-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283166 304184806 /nfs/dbraw/zinc/18/48/06/304184806.db2.gz RZTAQBUSGKYOQS-UHFFFAOYSA-N 1 3 346.475 1.773 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C1CCOCC1)Cc1ccccc1 ZINC000261634336 139213104 /nfs/dbraw/zinc/21/31/04/139213104.db2.gz DBBIMUARIINWLQ-MOPGFXCFSA-N 1 3 347.503 1.810 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000415490795 304224537 /nfs/dbraw/zinc/22/45/37/304224537.db2.gz NTDMGJXKEVBUSJ-UHFFFAOYSA-N 1 3 334.464 1.629 20 0 EDADHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099439 139250870 /nfs/dbraw/zinc/25/08/70/139250870.db2.gz IKGKFCQQVPEVJV-GOSISDBHSA-N 1 3 331.508 1.947 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417014717 251132630 /nfs/dbraw/zinc/13/26/30/251132630.db2.gz FTPVNMZOVUINHK-KRWDZBQOSA-N 1 3 347.507 1.088 20 0 EDADHO CCN1CCN(CCCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417026269 251139562 /nfs/dbraw/zinc/13/95/62/251139562.db2.gz ABXFFAJQDAYLMT-KRWDZBQOSA-N 1 3 341.544 1.419 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417204236 251145931 /nfs/dbraw/zinc/14/59/31/251145931.db2.gz ZWNPTKYJQSVGGM-SQNIBIBYSA-N 1 3 330.476 1.410 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417542851 251184363 /nfs/dbraw/zinc/18/43/63/251184363.db2.gz FBHHCPSEYVQOIQ-HIFRSBDPSA-N 1 3 326.485 1.173 20 0 EDADHO Cc1ccc(N)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000262366349 139273516 /nfs/dbraw/zinc/27/35/16/139273516.db2.gz LGTJFTPONPKODR-UHFFFAOYSA-N 1 3 330.476 1.866 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573697 251192025 /nfs/dbraw/zinc/19/20/25/251192025.db2.gz XPIIASUQSRYBMT-RHSMWYFYSA-N 1 3 334.464 1.616 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000417880067 251310631 /nfs/dbraw/zinc/31/06/31/251310631.db2.gz SJRPSECCPNDSGM-YSHGAJCASA-N 1 3 342.487 1.900 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418104170 251323714 /nfs/dbraw/zinc/32/37/14/251323714.db2.gz JYANTSGYLVDLIV-FHWLQOOXSA-N 1 3 342.487 1.902 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CCN(C)CC1 ZINC000418196735 251354557 /nfs/dbraw/zinc/35/45/57/251354557.db2.gz IEXHXGSCRMVOJA-KGLIPLIRSA-N 1 3 328.526 1.440 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000262654104 139293399 /nfs/dbraw/zinc/29/33/99/139293399.db2.gz SQUZSYYTHLGXMX-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)CN1Cc1ccccc1 ZINC000262798756 139304470 /nfs/dbraw/zinc/30/44/70/139304470.db2.gz OSCXJLOPQACOFC-PVAVHDDUSA-N 1 3 333.501 1.861 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875337 252007825 /nfs/dbraw/zinc/00/78/25/252007825.db2.gz DULRFNKQXWXMGR-OALUTQOASA-N 1 3 344.503 1.681 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902279 252016792 /nfs/dbraw/zinc/01/67/92/252016792.db2.gz MPUXAODWFXYPGI-ZMSDIMECSA-N 1 3 347.459 1.418 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902279 252016794 /nfs/dbraw/zinc/01/67/94/252016794.db2.gz MPUXAODWFXYPGI-ZMSDIMECSA-N 1 3 347.459 1.418 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415603309 304237112 /nfs/dbraw/zinc/23/71/12/304237112.db2.gz UFTOFCSCURLPFL-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415603309 304237114 /nfs/dbraw/zinc/23/71/14/304237114.db2.gz UFTOFCSCURLPFL-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796909 252078810 /nfs/dbraw/zinc/07/88/10/252078810.db2.gz MFBLOQLLZOFKQN-KRWDZBQOSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC(C)CC1 ZINC000424155240 252147556 /nfs/dbraw/zinc/14/75/56/252147556.db2.gz MPNZWBLHDVYSGQ-LSDHHAIUSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC(C)CC1 ZINC000424155239 252147991 /nfs/dbraw/zinc/14/79/91/252147991.db2.gz MPNZWBLHDVYSGQ-HUUCEWRRSA-N 1 3 334.468 1.053 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424474855 252244932 /nfs/dbraw/zinc/24/49/32/252244932.db2.gz JAIJOLPGRVDIQO-RCCFBDPRSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358507004 296344475 /nfs/dbraw/zinc/34/44/75/296344475.db2.gz MLRQPOZBTYWMGR-SJORKVTESA-N 1 3 337.508 1.773 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCOCCN(C)C)C1 ZINC000471646272 255015315 /nfs/dbraw/zinc/01/53/15/255015315.db2.gz ULJJPEZWXWQQJT-HZPDHXFCSA-N 1 3 328.501 1.232 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNCC(F)(F)F ZINC000353730072 285243569 /nfs/dbraw/zinc/24/35/69/285243569.db2.gz OZBHRWUSIWRAGJ-CYBMUJFWSA-N 1 3 338.418 1.013 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNCC(F)(F)F ZINC000353730072 285243570 /nfs/dbraw/zinc/24/35/70/285243570.db2.gz OZBHRWUSIWRAGJ-CYBMUJFWSA-N 1 3 338.418 1.013 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118115074 221119865 /nfs/dbraw/zinc/11/98/65/221119865.db2.gz GESKAIQKIMCMOF-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118115074 221119867 /nfs/dbraw/zinc/11/98/67/221119867.db2.gz GESKAIQKIMCMOF-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000570863143 306553045 /nfs/dbraw/zinc/55/30/45/306553045.db2.gz WLGSOYPEKPDQEO-IAGOWNOFSA-N 1 3 349.523 1.933 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000415907372 304284968 /nfs/dbraw/zinc/28/49/68/304284968.db2.gz MQEQFVANJGELAT-MRXNPFEDSA-N 1 3 347.507 1.801 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000415921858 304285450 /nfs/dbraw/zinc/28/54/50/304285450.db2.gz SIXAEGTYKCYPDQ-KRWDZBQOSA-N 1 3 334.464 1.981 20 0 EDADHO CSCC[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000164614632 533604070 /nfs/dbraw/zinc/60/40/70/533604070.db2.gz BCJWPEOQPMODLF-OAHLLOKOSA-N 1 3 325.478 1.324 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)CC[N@H+]2CCc3ccccc3C2)N(C)C1 ZINC000416240496 304299658 /nfs/dbraw/zinc/29/96/58/304299658.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 1 3 345.487 1.612 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299591 /nfs/dbraw/zinc/29/95/91/304299591.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 1 3 343.471 1.366 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299592 /nfs/dbraw/zinc/29/95/92/304299592.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 1 3 343.471 1.366 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)N(C)C1 ZINC000416240496 304299656 /nfs/dbraw/zinc/29/96/56/304299656.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 1 3 345.487 1.612 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331638134 141060423 /nfs/dbraw/zinc/06/04/23/141060423.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 1 3 337.468 1.113 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000331638134 141060424 /nfs/dbraw/zinc/06/04/24/141060424.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 1 3 337.468 1.113 20 0 EDADHO C[C@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000333627518 141347044 /nfs/dbraw/zinc/34/70/44/141347044.db2.gz GBBGZHXKFPDSEG-YQYZPQCESA-N 1 3 348.466 1.911 20 0 EDADHO CN1CC[C@@H](C[N@H+](C)C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000416408616 304316321 /nfs/dbraw/zinc/31/63/21/304316321.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 1 3 347.459 1.195 20 0 EDADHO CN1CC[C@@H](C[N@@H+](C)C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000416408616 304316322 /nfs/dbraw/zinc/31/63/22/304316322.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 1 3 347.459 1.195 20 0 EDADHO CCN1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000339667269 142113005 /nfs/dbraw/zinc/11/30/05/142113005.db2.gz ICHYEMQTPNEBSU-HNNXBMFYSA-N 1 3 340.512 1.070 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340120083 142272061 /nfs/dbraw/zinc/27/20/61/142272061.db2.gz QIZIDBWEVQEZHQ-SJLPKXTDSA-N 1 3 345.491 1.085 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000340213118 142305865 /nfs/dbraw/zinc/30/58/65/142305865.db2.gz SZAACQCROZMBLE-MRXNPFEDSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000345100070 143050362 /nfs/dbraw/zinc/05/03/62/143050362.db2.gz FSKJXZDJVMUXHQ-VYDXJSESSA-N 1 3 340.537 1.692 20 0 EDADHO Cc1nccn1CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000346303966 143189388 /nfs/dbraw/zinc/18/93/88/143189388.db2.gz GOELDDHSJIANPR-UHFFFAOYSA-N 1 3 349.523 1.608 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnc(-c3ccccn3)s2)C1 ZINC000347037788 143275058 /nfs/dbraw/zinc/27/50/58/143275058.db2.gz FZEKUNVVBDPYBL-CYBMUJFWSA-N 1 3 345.472 1.492 20 0 EDADHO CC1CCN([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)CC1 ZINC000573092374 306611529 /nfs/dbraw/zinc/61/15/29/306611529.db2.gz NXTSWNIYHLNWEP-HCXYKTFWSA-N 1 3 342.487 1.977 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416788447 304349067 /nfs/dbraw/zinc/34/90/67/304349067.db2.gz QGEFIUZERRRZFZ-KSZLIROESA-N 1 3 328.460 1.684 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000416822555 304350068 /nfs/dbraw/zinc/35/00/68/304350068.db2.gz NCTMJCCUHFAZCD-RHSMWYFYSA-N 1 3 334.464 1.869 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000416841317 304350579 /nfs/dbraw/zinc/35/05/79/304350579.db2.gz MBJPCECDDABSLP-CGTJXYLNSA-N 1 3 332.492 1.928 20 0 EDADHO CN(C)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000416855714 304352200 /nfs/dbraw/zinc/35/22/00/304352200.db2.gz WNEOFDFBCBQMJD-SFHVURJKSA-N 1 3 330.476 1.768 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353243660 149337237 /nfs/dbraw/zinc/33/72/37/149337237.db2.gz MPBNAFKWSMYGNA-OAHLLOKOSA-N 1 3 349.479 1.652 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353403150 149393328 /nfs/dbraw/zinc/39/33/28/149393328.db2.gz LLNPSQBWHAKMER-CEXWTWQISA-N 1 3 348.535 1.393 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353403150 149393331 /nfs/dbraw/zinc/39/33/31/149393331.db2.gz LLNPSQBWHAKMER-CEXWTWQISA-N 1 3 348.535 1.393 20 0 EDADHO NC(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000353464096 149415646 /nfs/dbraw/zinc/41/56/46/149415646.db2.gz XHCJFPIPHGKYTB-GFCCVEGCSA-N 1 3 335.395 1.966 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000416978939 304360212 /nfs/dbraw/zinc/36/02/12/304360212.db2.gz WJZFSSKAAZTRPW-LJQANCHMSA-N 1 3 348.491 1.816 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360983 150233784 /nfs/dbraw/zinc/23/37/84/150233784.db2.gz HJKKCTSQYYUDJI-ROUUACIJSA-N 1 3 331.460 1.683 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000416986100 304361930 /nfs/dbraw/zinc/36/19/30/304361930.db2.gz ISUZWVWJBIFVPV-INIZCTEOSA-N 1 3 347.507 1.361 20 0 EDADHO [NH3+]CC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000417033127 304363335 /nfs/dbraw/zinc/36/33/35/304363335.db2.gz RJBKDBLWRICGJQ-UHFFFAOYSA-N 1 3 330.476 1.815 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417040962 304365070 /nfs/dbraw/zinc/36/50/70/304365070.db2.gz VVXLOGZOQVHFDR-IBGZPJMESA-N 1 3 330.476 1.815 20 0 EDADHO C[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044350 304365502 /nfs/dbraw/zinc/36/55/02/304365502.db2.gz XWBBXCPNAJZYMN-MAUKXSAKSA-N 1 3 330.476 1.814 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1)C1CC1 ZINC000358058106 151251764 /nfs/dbraw/zinc/25/17/64/151251764.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 1 3 331.460 1.467 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1)C1CC1 ZINC000358058106 151251765 /nfs/dbraw/zinc/25/17/65/151251765.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 1 3 331.460 1.467 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509087 151399782 /nfs/dbraw/zinc/39/97/82/151399782.db2.gz MRHVDJZDTLVDIY-KRWDZBQOSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120500 304374713 /nfs/dbraw/zinc/37/47/13/304374713.db2.gz VNVNJRBUDGBAEP-LSDHHAIUSA-N 1 3 340.537 1.727 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083381 152297809 /nfs/dbraw/zinc/29/78/09/152297809.db2.gz GWLBRFGRCRQFRM-NJAFHUGGSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417158447 304379185 /nfs/dbraw/zinc/37/91/85/304379185.db2.gz WEQOKSRPEOVCAY-QGZVFWFLSA-N 1 3 347.507 1.483 20 0 EDADHO CCN(C[C@@H](C)OC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000361992065 152578897 /nfs/dbraw/zinc/57/88/97/152578897.db2.gz FDHLNYJIEFTGFY-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417179485 304381183 /nfs/dbraw/zinc/38/11/83/304381183.db2.gz FUPSTFFKFIIKOR-SQNIBIBYSA-N 1 3 330.476 1.553 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000113 /nfs/dbraw/zinc/00/01/13/153000113.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 1 3 334.508 1.844 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000115 /nfs/dbraw/zinc/00/01/15/153000115.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 1 3 334.508 1.844 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827196 153068375 /nfs/dbraw/zinc/06/83/75/153068375.db2.gz RUMSVCFQOOQBPX-FUHWJXTLSA-N 1 3 333.476 1.500 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000417198589 304383826 /nfs/dbraw/zinc/38/38/26/304383826.db2.gz RQLIYHLFQXZSKL-MSOLQXFVSA-N 1 3 332.492 1.800 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364734811 153319196 /nfs/dbraw/zinc/31/91/96/153319196.db2.gz LGKBTGKAIRVLKG-YKTARERQSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364734811 153319199 /nfs/dbraw/zinc/31/91/99/153319199.db2.gz LGKBTGKAIRVLKG-YKTARERQSA-N 1 3 337.508 1.756 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000367294301 154069962 /nfs/dbraw/zinc/06/99/62/154069962.db2.gz JNEFYLXQOVIKFG-NVXWUHKLSA-N 1 3 345.491 1.180 20 0 EDADHO CN(CC(=O)NC[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887568 154313498 /nfs/dbraw/zinc/31/34/98/154313498.db2.gz UXFOHODLXINLSF-GOSISDBHSA-N 1 3 346.475 1.525 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCCO1 ZINC000368067167 154394634 /nfs/dbraw/zinc/39/46/34/154394634.db2.gz VEPPVDNRPQGISU-AEFFLSMTSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCCO1 ZINC000368067167 154394636 /nfs/dbraw/zinc/39/46/36/154394636.db2.gz VEPPVDNRPQGISU-AEFFLSMTSA-N 1 3 338.496 1.225 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000574706351 306655875 /nfs/dbraw/zinc/65/58/75/306655875.db2.gz HMKBTFYSLDYQNB-IBGZPJMESA-N 1 3 348.535 1.488 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000417360762 304394830 /nfs/dbraw/zinc/39/48/30/304394830.db2.gz JWCLLZVYVOVPJA-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000417533409 304403810 /nfs/dbraw/zinc/40/38/10/304403810.db2.gz XODKEVRLQOJPBW-KRWDZBQOSA-N 1 3 348.491 1.611 20 0 EDADHO COCCCN1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352236 /nfs/dbraw/zinc/35/22/36/292352236.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 1 3 325.497 1.819 20 0 EDADHO COCCCN1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352238 /nfs/dbraw/zinc/35/22/38/292352238.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 1 3 325.497 1.819 20 0 EDADHO NC(=O)NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374056377 157125263 /nfs/dbraw/zinc/12/52/63/157125263.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 1 3 344.459 1.560 20 0 EDADHO NC(=O)NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374056377 157125268 /nfs/dbraw/zinc/12/52/68/157125268.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 1 3 344.459 1.560 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378247904 158119951 /nfs/dbraw/zinc/11/99/51/158119951.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378247904 158119953 /nfs/dbraw/zinc/11/99/53/158119953.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000417998731 304444396 /nfs/dbraw/zinc/44/43/96/304444396.db2.gz UYTSWYUYVOSKFY-KRWDZBQOSA-N 1 3 346.475 1.365 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418074633 304455116 /nfs/dbraw/zinc/45/51/16/304455116.db2.gz XWXLDTYIHVTBNW-GOSISDBHSA-N 1 3 344.459 1.717 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000418172774 304459165 /nfs/dbraw/zinc/45/91/65/304459165.db2.gz RVAXYHJAVKVNNU-INIZCTEOSA-N 1 3 346.475 1.792 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCn3cccn3)CC2)CC1 ZINC000051758803 287221833 /nfs/dbraw/zinc/22/18/33/287221833.db2.gz KDJSYZPXEJKGQR-UHFFFAOYSA-N 1 3 348.495 1.131 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073477756 287260711 /nfs/dbraw/zinc/26/07/11/287260711.db2.gz FBCNWZTTYYXAJL-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000073477756 287260712 /nfs/dbraw/zinc/26/07/12/287260712.db2.gz FBCNWZTTYYXAJL-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000073721357 287264223 /nfs/dbraw/zinc/26/42/23/287264223.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000073721357 287264226 /nfs/dbraw/zinc/26/42/26/287264226.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418339884 304482943 /nfs/dbraw/zinc/48/29/43/304482943.db2.gz FOVBNQDCSCYBLR-MAUKXSAKSA-N 1 3 348.491 1.987 20 0 EDADHO Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000130535622 287494736 /nfs/dbraw/zinc/49/47/36/287494736.db2.gz ZOCFVLPZFNGSHC-UHFFFAOYSA-N 1 3 334.464 1.194 20 0 EDADHO C[C@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@H](C)O1 ZINC000188746971 272959049 /nfs/dbraw/zinc/95/90/49/272959049.db2.gz NTSGPSUWNMQOSG-DARAHFNDSA-N 1 3 327.444 1.034 20 0 EDADHO CN(C)C1(CNC(=O)NCC2([NH+](C)C)CCC2)Cc2ccccc2C1 ZINC000275407270 268338295 /nfs/dbraw/zinc/33/82/95/268338295.db2.gz FVITTWGNVAIACO-UHFFFAOYSA-N 1 3 344.503 1.869 20 0 EDADHO CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000275482543 268349497 /nfs/dbraw/zinc/34/94/97/268349497.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 1 3 348.487 1.831 20 0 EDADHO CC(=O)CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000275482543 268349499 /nfs/dbraw/zinc/34/94/99/268349499.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 1 3 348.487 1.831 20 0 EDADHO CCN1CCN(CCC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275805479 273129192 /nfs/dbraw/zinc/12/91/92/273129192.db2.gz ICODZKLECWLBLJ-UHFFFAOYSA-N 1 3 332.492 1.757 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H](C)C[NH2+]C)cc2)CC1 ZINC000236885973 276196592 /nfs/dbraw/zinc/19/65/92/276196592.db2.gz MMWRTGQRVDSDOB-MRXNPFEDSA-N 1 3 332.492 1.296 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccncc1 ZINC000080565237 276371045 /nfs/dbraw/zinc/37/10/45/276371045.db2.gz UZZMJRDZESPUMI-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccncc1 ZINC000080565237 276371046 /nfs/dbraw/zinc/37/10/46/276371046.db2.gz UZZMJRDZESPUMI-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000655967590 452747359 /nfs/dbraw/zinc/74/73/59/452747359.db2.gz YFUZYJJEVXDRJM-KRWDZBQOSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237315138 277029983 /nfs/dbraw/zinc/02/99/83/277029983.db2.gz VLPGRXUMEUVHDM-KRWDZBQOSA-N 1 3 332.492 1.166 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000457891548 277150487 /nfs/dbraw/zinc/15/04/87/277150487.db2.gz BBBWISMGYIOXSL-MRXNPFEDSA-N 1 3 340.512 1.395 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000332633392 277221600 /nfs/dbraw/zinc/22/16/00/277221600.db2.gz ZLRVIXVLOWUMFF-HOTGVXAUSA-N 1 3 343.537 1.796 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332633392 277221601 /nfs/dbraw/zinc/22/16/01/277221601.db2.gz ZLRVIXVLOWUMFF-HOTGVXAUSA-N 1 3 343.537 1.796 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332633392 277221602 /nfs/dbraw/zinc/22/16/02/277221602.db2.gz ZLRVIXVLOWUMFF-HOTGVXAUSA-N 1 3 343.537 1.796 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025440 279287291 /nfs/dbraw/zinc/28/72/91/279287291.db2.gz RCLWRNLRDYXARG-SJLPKXTDSA-N 1 3 347.507 1.259 20 0 EDADHO C[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000373073977 288180422 /nfs/dbraw/zinc/18/04/22/288180422.db2.gz IKNVDDBBLPAVMI-SQNIBIBYSA-N 1 3 325.497 1.487 20 0 EDADHO C[C@@H]1C[N@@H+](CCO[C@H]2CCCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000373073977 288180425 /nfs/dbraw/zinc/18/04/25/288180425.db2.gz IKNVDDBBLPAVMI-SQNIBIBYSA-N 1 3 325.497 1.487 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333847634 280283051 /nfs/dbraw/zinc/28/30/51/280283051.db2.gz MTBRGBIEZJSJOA-OAHLLOKOSA-N 1 3 334.464 1.315 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030665 289243597 /nfs/dbraw/zinc/24/35/97/289243597.db2.gz GTNZYINUMSVZOU-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419706175 304667788 /nfs/dbraw/zinc/66/77/88/304667788.db2.gz CBPNGMZMGCQWEJ-CABCVRRESA-N 1 3 326.485 1.001 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000303974766 303746133 /nfs/dbraw/zinc/74/61/33/303746133.db2.gz AZEQPXXTUPWRMU-GOSISDBHSA-N 1 3 348.491 1.963 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458386822 447339443 /nfs/dbraw/zinc/33/94/43/447339443.db2.gz WVYPKBAMMIGVBV-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458386822 447339447 /nfs/dbraw/zinc/33/94/47/447339447.db2.gz WVYPKBAMMIGVBV-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414879611 447340252 /nfs/dbraw/zinc/34/02/52/447340252.db2.gz PHFAKBLFCAMNQV-KRWDZBQOSA-N 1 3 346.475 1.855 20 0 EDADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000493574224 447345259 /nfs/dbraw/zinc/34/52/59/447345259.db2.gz ABWDZNTUOSXPHW-PMBGHPPTSA-N 1 3 345.487 1.758 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958842 304880947 /nfs/dbraw/zinc/88/09/47/304880947.db2.gz QEHUAZGCGWZPCA-GXTWGEPZSA-N 1 3 325.840 1.789 20 0 EDADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101773 304886270 /nfs/dbraw/zinc/88/62/70/304886270.db2.gz JHOHOQYWYRIQNO-IHMNZUQTSA-N 1 3 348.487 1.990 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424039339 304925905 /nfs/dbraw/zinc/92/59/05/304925905.db2.gz NPEGWNCTBWTRLV-RYQLBKOJSA-N 1 3 327.403 1.649 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430934089 305069054 /nfs/dbraw/zinc/06/90/54/305069054.db2.gz KTCOKILOGBDNJS-UONOGXRCSA-N 1 3 349.475 1.768 20 0 EDADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)CCCOc2ccccc2)CC1 ZINC000430953368 305070537 /nfs/dbraw/zinc/07/05/37/305070537.db2.gz SZDWBKAAJQYSHO-MRXNPFEDSA-N 1 3 333.476 1.973 20 0 EDADHO CN(c1ccccc1CNC[C@@H]1CCCC(=O)N1)C1CC[NH+](C)CC1 ZINC000433188759 305102476 /nfs/dbraw/zinc/10/24/76/305102476.db2.gz QVHDQYSDORERGF-KRWDZBQOSA-N 1 3 344.503 1.975 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338600 305106108 /nfs/dbraw/zinc/10/61/08/305106108.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 1 3 328.501 1.517 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338600 305106109 /nfs/dbraw/zinc/10/61/09/305106109.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 1 3 328.501 1.517 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385516 305107321 /nfs/dbraw/zinc/10/73/21/305107321.db2.gz BHRQVDRLJLMXLK-HOTGVXAUSA-N 1 3 348.495 1.587 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433385694 305107382 /nfs/dbraw/zinc/10/73/82/305107382.db2.gz YSKOEDCZGMVHQR-HUUCEWRRSA-N 1 3 348.495 1.443 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956981 305214652 /nfs/dbraw/zinc/21/46/52/305214652.db2.gz LQFKCBWVXYHLRN-WMZOPIPTSA-N 1 3 336.524 1.536 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956981 305214653 /nfs/dbraw/zinc/21/46/53/305214653.db2.gz LQFKCBWVXYHLRN-WMZOPIPTSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000442856763 305230286 /nfs/dbraw/zinc/23/02/86/305230286.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000442856763 305230287 /nfs/dbraw/zinc/23/02/87/305230287.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000442856763 305230288 /nfs/dbraw/zinc/23/02/88/305230288.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000442856763 305230289 /nfs/dbraw/zinc/23/02/89/305230289.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 1 3 340.512 1.022 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365060 305263841 /nfs/dbraw/zinc/26/38/41/305263841.db2.gz YUDTVJFOVFJIIC-MIALQEHNSA-N 1 3 349.519 1.709 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365060 305263842 /nfs/dbraw/zinc/26/38/42/305263842.db2.gz YUDTVJFOVFJIIC-MIALQEHNSA-N 1 3 349.519 1.709 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCN(C)CC1 ZINC000517719998 305755388 /nfs/dbraw/zinc/75/53/88/305755388.db2.gz QTWOVJIERARHHJ-MELADBBJSA-N 1 3 326.510 1.193 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000520818626 305783447 /nfs/dbraw/zinc/78/34/47/305783447.db2.gz VQMZVQPXPSATQN-HNNXBMFYSA-N 1 3 325.522 1.996 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534209176 306004422 /nfs/dbraw/zinc/00/44/22/306004422.db2.gz JUMKGXHSEMBLFG-GOSISDBHSA-N 1 3 333.476 1.756 20 0 EDADHO CN1CCN(CCCCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548388096 306126152 /nfs/dbraw/zinc/12/61/52/306126152.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CN1CCN(CCCCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548388096 306126153 /nfs/dbraw/zinc/12/61/53/306126153.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552040887 306174349 /nfs/dbraw/zinc/17/43/49/306174349.db2.gz FUWXGODZGRZYHJ-KURKYZTESA-N 1 3 331.460 1.774 20 0 EDADHO CNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552040887 306174350 /nfs/dbraw/zinc/17/43/50/306174350.db2.gz FUWXGODZGRZYHJ-KURKYZTESA-N 1 3 331.460 1.774 20 0 EDADHO CNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)c1 ZINC000552040887 306174351 /nfs/dbraw/zinc/17/43/51/306174351.db2.gz FUWXGODZGRZYHJ-KURKYZTESA-N 1 3 331.460 1.774 20 0 EDADHO Cc1cccnc1C(C)(C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555233020 306200591 /nfs/dbraw/zinc/20/05/91/306200591.db2.gz OJMWOXRBHYBDFQ-UHFFFAOYSA-N 1 3 349.523 1.802 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660833948 453595841 /nfs/dbraw/zinc/59/58/41/453595841.db2.gz JSFBCTNCSLXRCD-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO COCC1(CN[C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC000414970709 447380039 /nfs/dbraw/zinc/38/00/39/447380039.db2.gz HTUFSWOQUGCVGO-OAHLLOKOSA-N 1 3 340.489 1.455 20 0 EDADHO COc1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1C ZINC000414987656 447386357 /nfs/dbraw/zinc/38/63/57/447386357.db2.gz KVXLBMDYTKNKSJ-APWZRJJASA-N 1 3 331.460 1.740 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426067510 447385845 /nfs/dbraw/zinc/38/58/45/447385845.db2.gz SBJIIYJEBRVLDJ-HRCADAONSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426067510 447385848 /nfs/dbraw/zinc/38/58/48/447385848.db2.gz SBJIIYJEBRVLDJ-HRCADAONSA-N 1 3 338.496 1.364 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCN3C3CC3)CC2)CC1 ZINC000426116108 447390757 /nfs/dbraw/zinc/39/07/57/447390757.db2.gz SVMQHIGOASAHIY-SFHVURJKSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538499 447404296 /nfs/dbraw/zinc/40/42/96/447404296.db2.gz AABBWWFAQTTWOA-GDAAHCPNSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538499 447404302 /nfs/dbraw/zinc/40/43/02/447404302.db2.gz AABBWWFAQTTWOA-GDAAHCPNSA-N 1 3 342.487 1.995 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419779057 447406600 /nfs/dbraw/zinc/40/66/00/447406600.db2.gz PDPJAYPKLJUIIZ-HZPDHXFCSA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458544918 447407044 /nfs/dbraw/zinc/40/70/44/447407044.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458544918 447407047 /nfs/dbraw/zinc/40/70/47/447407047.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415422131 447420825 /nfs/dbraw/zinc/42/08/25/447420825.db2.gz WBICLLMXHAQHTI-CQSZACIVSA-N 1 3 332.448 1.417 20 0 EDADHO COC(=O)CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000114455739 441658185 /nfs/dbraw/zinc/65/81/85/441658185.db2.gz FRKFBVDNMFWBLW-UHFFFAOYSA-N 1 3 341.496 1.497 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1CCCC1 ZINC000076599251 441663504 /nfs/dbraw/zinc/66/35/04/441663504.db2.gz GXKQVPKZPUDZTI-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173410145 441738773 /nfs/dbraw/zinc/73/87/73/441738773.db2.gz FBKOXPGFIFVWSJ-MSOLQXFVSA-N 1 3 332.492 1.907 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000173410145 441738777 /nfs/dbraw/zinc/73/87/77/441738777.db2.gz FBKOXPGFIFVWSJ-MSOLQXFVSA-N 1 3 332.492 1.907 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000117027352 441862780 /nfs/dbraw/zinc/86/27/80/441862780.db2.gz XMDRXDLILBIIDA-KRWDZBQOSA-N 1 3 334.464 1.220 20 0 EDADHO COCCN1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000140211582 441835054 /nfs/dbraw/zinc/83/50/54/441835054.db2.gz UGSRCIGESDOMOI-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754207 442116432 /nfs/dbraw/zinc/11/64/32/442116432.db2.gz BHVZKLFYZUBLEX-KRWDZBQOSA-N 1 3 339.528 1.186 20 0 EDADHO O=C(CN1CCN(C2CCCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000162870832 442128024 /nfs/dbraw/zinc/12/80/24/442128024.db2.gz WLHKMTAIERXKHR-UHFFFAOYSA-N 1 3 348.535 1.680 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350203 442160402 /nfs/dbraw/zinc/16/04/02/442160402.db2.gz NPYAEDSWKHYMAN-LMMKCTJWSA-N 1 3 344.503 1.654 20 0 EDADHO CN(CCN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000130700329 442354025 /nfs/dbraw/zinc/35/40/25/442354025.db2.gz QHHUGDMALGCLOK-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384955 /nfs/dbraw/zinc/38/49/55/442384955.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 1 3 331.526 1.464 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384958 /nfs/dbraw/zinc/38/49/58/442384958.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 1 3 331.526 1.464 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562496 442475510 /nfs/dbraw/zinc/47/55/10/442475510.db2.gz JUJQICRCPRVZNL-HUUCEWRRSA-N 1 3 329.485 1.942 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562496 442475513 /nfs/dbraw/zinc/47/55/13/442475513.db2.gz JUJQICRCPRVZNL-HUUCEWRRSA-N 1 3 329.485 1.942 20 0 EDADHO CCOC[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156941253 442535590 /nfs/dbraw/zinc/53/55/90/442535590.db2.gz JXSHGONEYJMAEH-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO CCOC[C@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156941253 442535592 /nfs/dbraw/zinc/53/55/92/442535592.db2.gz JXSHGONEYJMAEH-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO CCO[C@H](C)c1noc(CN2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000178982205 442543756 /nfs/dbraw/zinc/54/37/56/442543756.db2.gz KZSUQQUQIVDCCI-CQSZACIVSA-N 1 3 337.468 1.284 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000186724294 442601721 /nfs/dbraw/zinc/60/17/21/442601721.db2.gz UQVSLVHOPMDKDV-AEFFLSMTSA-N 1 3 330.476 1.313 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000157993875 442635224 /nfs/dbraw/zinc/63/52/24/442635224.db2.gz INVNAFAVHMYBKX-AEFFLSMTSA-N 1 3 330.476 1.442 20 0 EDADHO CCc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc(=O)[nH]1 ZINC000181576345 442705032 /nfs/dbraw/zinc/70/50/32/442705032.db2.gz KXUMFCZPPWJFCR-KRWDZBQOSA-N 1 3 348.491 1.425 20 0 EDADHO CCc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc(=O)[nH]1 ZINC000181576345 442705034 /nfs/dbraw/zinc/70/50/34/442705034.db2.gz KXUMFCZPPWJFCR-KRWDZBQOSA-N 1 3 348.491 1.425 20 0 EDADHO C[C@@H](CCNC(=O)c1[nH]nc2c1CNCC2)[N@H+](C)Cc1ccccc1 ZINC000188791221 442814018 /nfs/dbraw/zinc/81/40/18/442814018.db2.gz GYWQRTOQZIYWBY-AWEZNQCLSA-N 1 3 341.459 1.696 20 0 EDADHO C[C@@H](CCNC(=O)c1[nH]nc2c1CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000188791221 442814023 /nfs/dbraw/zinc/81/40/23/442814023.db2.gz GYWQRTOQZIYWBY-AWEZNQCLSA-N 1 3 341.459 1.696 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189006994 442859859 /nfs/dbraw/zinc/85/98/59/442859859.db2.gz GVNONDMOQZNLCT-BBRMVZONSA-N 1 3 325.403 1.868 20 0 EDADHO COC(=O)c1cc(CN(C)CCC[NH+]2CCN(C)CC2)c(C)s1 ZINC000182955939 442854858 /nfs/dbraw/zinc/85/48/58/442854858.db2.gz ICTGOOCVBPVYSW-UHFFFAOYSA-N 1 3 339.505 1.912 20 0 EDADHO CC(C)[NH2+]C1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000184600541 443047737 /nfs/dbraw/zinc/04/77/37/443047737.db2.gz LYLWGSGMFWWMEI-LJQANCHMSA-N 1 3 346.519 1.868 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCN(CC2CC2)CC1)c1ccccc1 ZINC000184950329 443105074 /nfs/dbraw/zinc/10/50/74/443105074.db2.gz HGCQTNRWGUMKCI-IBGZPJMESA-N 1 3 344.503 1.433 20 0 EDADHO CCN1CCC([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012413 443172377 /nfs/dbraw/zinc/17/23/77/443172377.db2.gz NDVJGOGMWVAEKT-UYAOXDASSA-N 1 3 331.504 1.943 20 0 EDADHO CC[NH+]1CCC(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012413 443172382 /nfs/dbraw/zinc/17/23/82/443172382.db2.gz NDVJGOGMWVAEKT-UYAOXDASSA-N 1 3 331.504 1.943 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237889464 443186338 /nfs/dbraw/zinc/18/63/38/443186338.db2.gz XKPNWLZMVGJVNO-SFHVURJKSA-N 1 3 337.508 1.870 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237889464 443186342 /nfs/dbraw/zinc/18/63/42/443186342.db2.gz XKPNWLZMVGJVNO-SFHVURJKSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000266763129 443232586 /nfs/dbraw/zinc/23/25/86/443232586.db2.gz DUQIUQAWAUHDMS-HNNXBMFYSA-N 1 3 344.503 1.868 20 0 EDADHO C[C@@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000266763129 443232590 /nfs/dbraw/zinc/23/25/90/443232590.db2.gz DUQIUQAWAUHDMS-HNNXBMFYSA-N 1 3 344.503 1.868 20 0 EDADHO CCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262707253 443208338 /nfs/dbraw/zinc/20/83/38/443208338.db2.gz NFZAEFJQWPAADV-IAGOWNOFSA-N 1 3 346.475 1.128 20 0 EDADHO CCC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262707253 443208343 /nfs/dbraw/zinc/20/83/43/443208343.db2.gz NFZAEFJQWPAADV-IAGOWNOFSA-N 1 3 346.475 1.128 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262771306 443211791 /nfs/dbraw/zinc/21/17/91/443211791.db2.gz MJSOSYLZQWCDBZ-YYIAUSFCSA-N 1 3 347.507 1.904 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522900 319135560 /nfs/dbraw/zinc/13/55/60/319135560.db2.gz VMFMNWPQUWQNLH-CABCVRRESA-N 1 3 341.496 1.726 20 0 EDADHO CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000413859751 319294443 /nfs/dbraw/zinc/29/44/43/319294443.db2.gz NKVQVGOTPYDJJZ-WBVHZDCISA-N 1 3 334.464 1.691 20 0 EDADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCO1 ZINC000414201939 319318781 /nfs/dbraw/zinc/31/87/81/319318781.db2.gz SYZCXFLNSKTZKM-ZWKOTPCHSA-N 1 3 339.524 1.576 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269265601 443257791 /nfs/dbraw/zinc/25/77/91/443257791.db2.gz YOVLNMVTBBYBBF-GOSISDBHSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690623 319342965 /nfs/dbraw/zinc/34/29/65/319342965.db2.gz NEDLWZBHLUDWLX-ZIAGYGMSSA-N 1 3 327.423 1.784 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000414693088 319343347 /nfs/dbraw/zinc/34/33/47/319343347.db2.gz BSUGQOASYKUWTJ-ZIAGYGMSSA-N 1 3 332.448 1.635 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415726935 319367026 /nfs/dbraw/zinc/36/70/26/319367026.db2.gz QBARBSVKCPAGKV-IBGZPJMESA-N 1 3 344.459 1.289 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269308705 443276704 /nfs/dbraw/zinc/27/67/04/443276704.db2.gz VKBFUJNWHCDMLU-IBGZPJMESA-N 1 3 330.476 1.762 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000185810079 443261928 /nfs/dbraw/zinc/26/19/28/443261928.db2.gz GHXWATWAXYEQOC-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000267345536 443425965 /nfs/dbraw/zinc/42/59/65/443425965.db2.gz QPCQVPSJPFFOLL-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732277 319734653 /nfs/dbraw/zinc/73/46/53/319734653.db2.gz NXVHSOJNYSPAPQ-DOTOQJQBSA-N 1 3 327.432 1.739 20 0 EDADHO CC1CCN(CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423341048 319765605 /nfs/dbraw/zinc/76/56/05/319765605.db2.gz WKLZZPOGEOHUJE-HNNXBMFYSA-N 1 3 333.480 1.349 20 0 EDADHO CC(C)CN(C(=O)COC1CCC([NH3+])CC1)C1CCN(C)CC1 ZINC000423761837 319812407 /nfs/dbraw/zinc/81/24/07/319812407.db2.gz PGMJQYSQKFFMLI-UHFFFAOYSA-N 1 3 325.497 1.852 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449361386 320184325 /nfs/dbraw/zinc/18/43/25/320184325.db2.gz JGJNNOGHFCDRPX-NVXWUHKLSA-N 1 3 325.497 1.900 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC(=O)N(CC)C2)CC1 ZINC000449516505 320193254 /nfs/dbraw/zinc/19/32/54/320193254.db2.gz GMZXXPLLGOHPHK-SFHVURJKSA-N 1 3 344.503 1.929 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275193 320261722 /nfs/dbraw/zinc/26/17/22/320261722.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 1 3 341.540 1.560 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275193 320261723 /nfs/dbraw/zinc/26/17/23/320261723.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 1 3 341.540 1.560 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275193 320261724 /nfs/dbraw/zinc/26/17/24/320261724.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 1 3 341.540 1.560 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063322 320431030 /nfs/dbraw/zinc/43/10/30/320431030.db2.gz RZANZHHWXLDHPB-IRXDYDNUSA-N 1 3 336.524 1.392 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC[C@H](O)Cc1ccc(F)cc1 ZINC000517360879 320448751 /nfs/dbraw/zinc/44/87/51/320448751.db2.gz BMBXDZFINHODMA-GOSISDBHSA-N 1 3 347.434 1.854 20 0 EDADHO CCC(=O)N1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824358 321150145 /nfs/dbraw/zinc/15/01/45/321150145.db2.gz IZGSEXMQRCFSDT-QOKNQOGYSA-N 1 3 329.444 1.843 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)N3C[C@H]4CCC[C@@H](C3)N4)CC2)CC1 ZINC000565764916 321199791 /nfs/dbraw/zinc/19/97/91/321199791.db2.gz WGDRYURRGKWZTG-CALCHBBNSA-N 1 3 349.523 1.081 20 0 EDADHO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000568741140 321303946 /nfs/dbraw/zinc/30/39/46/321303946.db2.gz NTCQCBKDXCVMIG-LJQANCHMSA-N 1 3 335.492 1.310 20 0 EDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000570934120 321364675 /nfs/dbraw/zinc/36/46/75/321364675.db2.gz GKKWNSMVHGCDMX-BEFAXECRSA-N 1 3 344.503 1.424 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCCN2CCC(C)CC2)CC1 ZINC000571096340 321371055 /nfs/dbraw/zinc/37/10/55/321371055.db2.gz WNASUASKUGULDH-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)ccc1C[NH+](C)C ZINC000571263123 321380753 /nfs/dbraw/zinc/38/07/53/321380753.db2.gz JQYSUMMBLYWXNX-OAHLLOKOSA-N 1 3 346.475 1.596 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572054656 321412368 /nfs/dbraw/zinc/41/23/68/321412368.db2.gz ZIQOIUCVNUNKIQ-HUUCEWRRSA-N 1 3 341.496 1.591 20 0 EDADHO C[C@H](C[NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285875087 444137635 /nfs/dbraw/zinc/13/76/35/444137635.db2.gz BSFLHLSEFSEYME-IAGOWNOFSA-N 1 3 345.491 1.037 20 0 EDADHO COC(=O)c1cc(CN(C)CCCN(C)CC[NH+](C)C)oc1C ZINC000289435539 444143302 /nfs/dbraw/zinc/14/33/02/444143302.db2.gz OAUUUVWEAIFNON-UHFFFAOYSA-N 1 3 325.453 1.690 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000289485456 444155427 /nfs/dbraw/zinc/15/54/27/444155427.db2.gz SCWWRPFOXFUEAS-UHFFFAOYSA-N 1 3 334.508 1.704 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000289485456 444155428 /nfs/dbraw/zinc/15/54/28/444155428.db2.gz SCWWRPFOXFUEAS-UHFFFAOYSA-N 1 3 334.508 1.704 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289630826 444183106 /nfs/dbraw/zinc/18/31/06/444183106.db2.gz BNIUXFIOJDWAGZ-KRWDZBQOSA-N 1 3 347.459 1.934 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000290176287 444251583 /nfs/dbraw/zinc/25/15/83/444251583.db2.gz PGFHEHSDDUCMJZ-RBUKOAKNSA-N 1 3 345.487 1.648 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577083474 321621998 /nfs/dbraw/zinc/62/19/98/321621998.db2.gz YSAQRHVIGQOOIJ-OKYOBFRVSA-N 1 3 344.503 1.847 20 0 EDADHO C[C@H](C(=O)N1CCCCC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303319561 444236599 /nfs/dbraw/zinc/23/65/99/444236599.db2.gz USRWMJFKGHQYAH-JKSUJKDBSA-N 1 3 325.497 1.412 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000303397153 444237009 /nfs/dbraw/zinc/23/70/09/444237009.db2.gz INANFKSARADLML-SJORKVTESA-N 1 3 338.496 1.148 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000290080912 444239664 /nfs/dbraw/zinc/23/96/64/444239664.db2.gz WDLLLCSXAWYZRA-CVEARBPZSA-N 1 3 349.475 1.640 20 0 EDADHO C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC1 ZINC000577266478 321637854 /nfs/dbraw/zinc/63/78/54/321637854.db2.gz QRSYTQWJUGJORD-ZBFHGGJFSA-N 1 3 325.522 1.804 20 0 EDADHO COCCOC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292647 /nfs/dbraw/zinc/29/26/47/444292647.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 1 3 348.487 1.464 20 0 EDADHO COCCOC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292649 /nfs/dbraw/zinc/29/26/49/444292649.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 1 3 348.487 1.464 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027887 444364842 /nfs/dbraw/zinc/36/48/42/444364842.db2.gz WJBNNGPJOORIDL-XHSDSOJGSA-N 1 3 325.497 1.599 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497657 321783756 /nfs/dbraw/zinc/78/37/56/321783756.db2.gz RUUPTNCJNBAONW-IAGOWNOFSA-N 1 3 345.491 1.098 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000327526548 444383081 /nfs/dbraw/zinc/38/30/81/444383081.db2.gz IYDJLHOLWFEYOR-WDSOQIARSA-N 1 3 346.519 1.711 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1=CCN(C)CC1 ZINC000340537616 444429664 /nfs/dbraw/zinc/42/96/64/444429664.db2.gz VOXXRMHSUYXPJR-LBPRGKRZSA-N 1 3 340.265 1.851 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580572453 322070313 /nfs/dbraw/zinc/07/03/13/322070313.db2.gz XCSPYTKHWKYNMS-QGZVFWFLSA-N 1 3 347.507 1.981 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000581306150 322161685 /nfs/dbraw/zinc/16/16/85/322161685.db2.gz SGBXBMLHFHAVML-GOSISDBHSA-N 1 3 349.519 1.659 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000340822583 444527112 /nfs/dbraw/zinc/52/71/12/444527112.db2.gz NPMJTWFMCZTBNB-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000340822583 444527115 /nfs/dbraw/zinc/52/71/15/444527115.db2.gz NPMJTWFMCZTBNB-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CCCN(C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC000343707549 444533897 /nfs/dbraw/zinc/53/38/97/444533897.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)NC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000343707549 444533900 /nfs/dbraw/zinc/53/39/00/444533900.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC000343707549 444533903 /nfs/dbraw/zinc/53/39/03/444533903.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000343707549 444533906 /nfs/dbraw/zinc/53/39/06/444533906.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CN1CCN(C)CC1 ZINC000340848665 444541960 /nfs/dbraw/zinc/54/19/60/444541960.db2.gz IVSRAMQKPOVHDX-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014339 444629549 /nfs/dbraw/zinc/62/95/49/444629549.db2.gz WBDUFPHXDWJXRE-MVJTYMMSSA-N 1 3 337.508 1.743 20 0 EDADHO CN(C)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000333013389 444629623 /nfs/dbraw/zinc/62/96/23/444629623.db2.gz BORQYNRXUZHFEQ-UHFFFAOYSA-N 1 3 345.491 1.436 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000340956089 444596370 /nfs/dbraw/zinc/59/63/70/444596370.db2.gz QXJNGHMSAKGWDG-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000340956089 444596374 /nfs/dbraw/zinc/59/63/74/444596374.db2.gz QXJNGHMSAKGWDG-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N(C)C1CC1 ZINC000333439098 444671172 /nfs/dbraw/zinc/67/11/72/444671172.db2.gz VUHHRMOTYVCNNO-XOKHGSTOSA-N 1 3 338.496 1.397 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000341187152 444716917 /nfs/dbraw/zinc/71/69/17/444716917.db2.gz CGNCYVIZQDBDQF-CABCVRRESA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344023120 444733726 /nfs/dbraw/zinc/73/37/26/444733726.db2.gz HMMFJSKMPNJZIT-KRWDZBQOSA-N 1 3 326.529 1.449 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000341199392 444724007 /nfs/dbraw/zinc/72/40/07/444724007.db2.gz KJLHJXBXEXAYEG-UHFFFAOYSA-N 1 3 342.528 1.718 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000341199392 444724010 /nfs/dbraw/zinc/72/40/10/444724010.db2.gz KJLHJXBXEXAYEG-UHFFFAOYSA-N 1 3 342.528 1.718 20 0 EDADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000344050143 444750869 /nfs/dbraw/zinc/75/08/69/444750869.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 1 3 335.492 1.683 20 0 EDADHO COc1ccc2nc(CN(C)CCCN(C)CC[NH+](C)C)[nH]c2n1 ZINC000344078799 444769483 /nfs/dbraw/zinc/76/94/83/444769483.db2.gz XOLCPPAKAFEVMA-UHFFFAOYSA-N 1 3 334.468 1.282 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)N(C)C1 ZINC000346533522 445217840 /nfs/dbraw/zinc/21/78/40/445217840.db2.gz NQDGOJSYJSVPTI-BZUAXINKSA-N 1 3 328.501 1.323 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000343490555 445233251 /nfs/dbraw/zinc/23/32/51/445233251.db2.gz AQHYFJVVJVZJGK-DOTOQJQBSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@H](CN1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333392 445260263 /nfs/dbraw/zinc/26/02/63/445260263.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 1 3 329.488 1.771 20 0 EDADHO C[C@H](CN1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333392 445260265 /nfs/dbraw/zinc/26/02/65/445260265.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 1 3 329.488 1.771 20 0 EDADHO CC[NH+]1CCN(CCCCNC(=O)CCn2ccnc2C(C)C)CC1 ZINC000343656899 445286620 /nfs/dbraw/zinc/28/66/20/445286620.db2.gz JQRXBNRMDULIRV-UHFFFAOYSA-N 1 3 349.523 1.931 20 0 EDADHO CCc1nccn1[C@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553947 445436037 /nfs/dbraw/zinc/43/60/37/445436037.db2.gz QXHCMAWPTLPPLP-KBPBESRZSA-N 1 3 342.447 1.723 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)CCOC3C[NH2+]C3)c(C)c2)CC1 ZINC000348992153 445468821 /nfs/dbraw/zinc/46/88/21/445468821.db2.gz HSFXPYJYZUKALC-UHFFFAOYSA-N 1 3 346.475 1.454 20 0 EDADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000362706921 445510834 /nfs/dbraw/zinc/51/08/34/445510834.db2.gz RNMOQJXZRJVQFQ-GOSISDBHSA-N 1 3 348.466 1.106 20 0 EDADHO CSC1(CN[C@@H](Cc2ccc(F)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000357299958 445534135 /nfs/dbraw/zinc/53/41/35/445534135.db2.gz PKZKOJMILYTRPB-HNNXBMFYSA-N 1 3 339.480 1.639 20 0 EDADHO COC[C@H](CCO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000362822397 445565140 /nfs/dbraw/zinc/56/51/40/445565140.db2.gz GZLJJEOHAVSLGS-KRWDZBQOSA-N 1 3 335.492 1.704 20 0 EDADHO CC(C)N1CCc2nc(CNCCOCC[NH+](C)C)sc2C1 ZINC000349250827 445547131 /nfs/dbraw/zinc/54/71/31/445547131.db2.gz HLONGYMMDNXPCY-UHFFFAOYSA-N 1 3 326.510 1.577 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353449647 445606842 /nfs/dbraw/zinc/60/68/42/445606842.db2.gz OCESQCDNXAZUQH-ATLSCFEFSA-N 1 3 337.508 1.722 20 0 EDADHO COc1cc(CNC(=O)C(N)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000353526697 445642836 /nfs/dbraw/zinc/64/28/36/445642836.db2.gz RXYBQDBSSARHAT-CYBMUJFWSA-N 1 3 349.353 1.141 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000362993059 445641419 /nfs/dbraw/zinc/64/14/19/445641419.db2.gz CNKICRXEGIMBGB-SJLPKXTDSA-N 1 3 347.507 1.933 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358495324 445622609 /nfs/dbraw/zinc/62/26/09/445622609.db2.gz HXUKZYVBEGOGEQ-IKGGRYGDSA-N 1 3 339.528 1.137 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 ZINC000358544084 445643889 /nfs/dbraw/zinc/64/38/89/445643889.db2.gz VJTAWJWJKAPARL-NVXWUHKLSA-N 1 3 335.423 1.224 20 0 EDADHO CC[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353555242 445654704 /nfs/dbraw/zinc/65/47/04/445654704.db2.gz ZHGKEXMXDSGAQP-HZPDHXFCSA-N 1 3 326.481 1.791 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)NCCNc2ccncc2)([NH+](C)C)C1 ZINC000356235549 445690942 /nfs/dbraw/zinc/69/09/42/445690942.db2.gz XQLMLEDYAASWLJ-MAUKXSAKSA-N 1 3 333.480 1.725 20 0 EDADHO CC(C)OCC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000349905074 445717951 /nfs/dbraw/zinc/71/79/51/445717951.db2.gz DOEMMZGDKKDIOB-IBGZPJMESA-N 1 3 341.540 1.653 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938021 445726996 /nfs/dbraw/zinc/72/69/96/445726996.db2.gz SRXBAUNJPXXIQP-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938023 445727254 /nfs/dbraw/zinc/72/72/54/445727254.db2.gz SRXBAUNJPXXIQP-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752364 445738942 /nfs/dbraw/zinc/73/89/42/445738942.db2.gz GEQFBHPDVWLGLP-SJLPKXTDSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752364 445738946 /nfs/dbraw/zinc/73/89/46/445738946.db2.gz GEQFBHPDVWLGLP-SJLPKXTDSA-N 1 3 345.487 1.911 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323687 445766087 /nfs/dbraw/zinc/76/60/87/445766087.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 1 3 336.524 1.395 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323687 445766090 /nfs/dbraw/zinc/76/60/90/445766090.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 1 3 336.524 1.395 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865270 445818822 /nfs/dbraw/zinc/81/88/22/445818822.db2.gz MHTPOMSIKMKSJM-HOCLYGCPSA-N 1 3 325.453 1.422 20 0 EDADHO COc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000361483030 445782752 /nfs/dbraw/zinc/78/27/52/445782752.db2.gz ZYZQHCVDJXSZFW-IBGZPJMESA-N 1 3 347.503 1.662 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000361710101 445891490 /nfs/dbraw/zinc/89/14/90/445891490.db2.gz CYJRCJJITSWFKP-LJQANCHMSA-N 1 3 348.466 1.407 20 0 EDADHO COCCNCC(=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361727466 445900494 /nfs/dbraw/zinc/90/04/94/445900494.db2.gz LXDWVSKELVSFQP-UHFFFAOYSA-N 1 3 347.503 1.983 20 0 EDADHO CCCN1CCN(C2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000369149271 445954256 /nfs/dbraw/zinc/95/42/56/445954256.db2.gz FZLIAKZQJUEVOX-GOSISDBHSA-N 1 3 341.540 1.654 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C ZINC000361793338 445951424 /nfs/dbraw/zinc/95/14/24/445951424.db2.gz WZSNHIQSUNKMPQ-VYDXJSESSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1C ZINC000361793338 445951431 /nfs/dbraw/zinc/95/14/31/445951431.db2.gz WZSNHIQSUNKMPQ-VYDXJSESSA-N 1 3 342.553 1.938 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091878 446018335 /nfs/dbraw/zinc/01/83/35/446018335.db2.gz GMQNTJJXMCNYKQ-YQQAZPJKSA-N 1 3 347.507 1.550 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091878 446018340 /nfs/dbraw/zinc/01/83/40/446018340.db2.gz GMQNTJJXMCNYKQ-YQQAZPJKSA-N 1 3 347.507 1.550 20 0 EDADHO [NH3+]C1(CNC2CCN(CCN3CCOCC3)CC2)CCCCCC1 ZINC000583091758 326000048 /nfs/dbraw/zinc/00/00/48/326000048.db2.gz MGYOOABERBFIOQ-UHFFFAOYSA-N 1 3 338.540 1.424 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COCc2ccccc2)CCCO1 ZINC000583495501 326083390 /nfs/dbraw/zinc/08/33/90/326083390.db2.gz IKYKFVVJCRQRCH-HKUYNNGSSA-N 1 3 336.476 1.655 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COCc2ccccc2)CCCO1 ZINC000583495501 326083394 /nfs/dbraw/zinc/08/33/94/326083394.db2.gz IKYKFVVJCRQRCH-HKUYNNGSSA-N 1 3 336.476 1.655 20 0 EDADHO CC[N@H+](CCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1)CC1CC1 ZINC000356895645 446102861 /nfs/dbraw/zinc/10/28/61/446102861.db2.gz QFAKNWLLDULEEY-CQSZACIVSA-N 1 3 344.521 1.780 20 0 EDADHO CC[N@@H+](CCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1)CC1CC1 ZINC000356895645 446102866 /nfs/dbraw/zinc/10/28/66/446102866.db2.gz QFAKNWLLDULEEY-CQSZACIVSA-N 1 3 344.521 1.780 20 0 EDADHO CCCN1CCN(C2CC[NH+](CC3(OC)CCOCC3)CC2)CC1 ZINC000365436118 446205632 /nfs/dbraw/zinc/20/56/32/446205632.db2.gz KATOELKVRBQJBB-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO CN(C)C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000417731074 446371659 /nfs/dbraw/zinc/37/16/59/446371659.db2.gz FHIKUAVVVRIPKX-SFHVURJKSA-N 1 3 344.503 1.917 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417950738 446396858 /nfs/dbraw/zinc/39/68/58/446396858.db2.gz MGJVCZFISHPEKX-GDBMZVCRSA-N 1 3 349.479 1.291 20 0 EDADHO CCN1CCN(CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431897827 446439487 /nfs/dbraw/zinc/43/94/87/446439487.db2.gz GTMXPMUPEREMOU-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000370787711 446443295 /nfs/dbraw/zinc/44/32/95/446443295.db2.gz NWLBSJIUQGZBCZ-INIZCTEOSA-N 1 3 343.537 1.431 20 0 EDADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418178646 446447958 /nfs/dbraw/zinc/44/79/58/446447958.db2.gz ZAHYZBBKVQUVRG-KBXCAEBGSA-N 1 3 346.475 1.791 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417994665 446410261 /nfs/dbraw/zinc/41/02/61/446410261.db2.gz OZNFNTLSZFMYRQ-QZTJIDSGSA-N 1 3 348.491 1.570 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019767 446417869 /nfs/dbraw/zinc/41/78/69/446417869.db2.gz YHELSMFCLIQYHS-NRSFXHEJSA-N 1 3 328.460 1.368 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCN(C)CC1 ZINC000418201812 446455261 /nfs/dbraw/zinc/45/52/61/446455261.db2.gz SOQNCEQAXMRRDH-ZIAGYGMSSA-N 1 3 326.510 1.065 20 0 EDADHO c1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCCN2)ncc1N1CC[NH2+]CC1 ZINC000423234752 446460910 /nfs/dbraw/zinc/46/09/10/446460910.db2.gz QAWGBPVNVJSOBR-ZACQAIPSSA-N 1 3 331.464 1.060 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299871 446461209 /nfs/dbraw/zinc/46/12/09/446461209.db2.gz JPUAOQCVLYPXLJ-RDTXWAMCSA-N 1 3 347.459 1.741 20 0 EDADHO COC(=O)c1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301353 446464450 /nfs/dbraw/zinc/46/44/50/446464450.db2.gz VPADYQHRCXHZJZ-GFCCVEGCSA-N 1 3 339.461 1.130 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)N(CC[NH3+])CCO)CCC1 ZINC000418241613 446469700 /nfs/dbraw/zinc/46/97/00/446469700.db2.gz KKLVFPYPFKTBMZ-UHFFFAOYSA-N 1 3 334.464 1.004 20 0 EDADHO CC(C)[C@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H](C)[NH3+] ZINC000423364566 446502143 /nfs/dbraw/zinc/50/21/43/446502143.db2.gz AVXLZKWFOORKKQ-LRDDRELGSA-N 1 3 348.447 1.714 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCCNCc3cccnc3)C[C@@H]21 ZINC000418331321 446502681 /nfs/dbraw/zinc/50/26/81/446502681.db2.gz RFYITANQYHXXKE-IXDOHACOSA-N 1 3 331.464 1.330 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337933 446507898 /nfs/dbraw/zinc/50/78/98/446507898.db2.gz KJFPJXMIVVBDSJ-IAGOWNOFSA-N 1 3 331.460 1.503 20 0 EDADHO CC(C)N(C(=O)[C@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000420329686 446498857 /nfs/dbraw/zinc/49/88/57/446498857.db2.gz ORRJUTCUGDXSLP-UAGQMJEPSA-N 1 3 325.497 1.849 20 0 EDADHO CC[NH2+]CCNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418323830 446499011 /nfs/dbraw/zinc/49/90/11/446499011.db2.gz ILERGOOIHCLITA-UHFFFAOYSA-N 1 3 328.407 1.648 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358995 446499548 /nfs/dbraw/zinc/49/95/48/446499548.db2.gz CORVJNCABMVKCX-HNNXBMFYSA-N 1 3 344.459 1.451 20 0 EDADHO CSc1ccccc1NC(=O)CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349042 446524681 /nfs/dbraw/zinc/52/46/81/446524681.db2.gz NPOAXFMNAMXBEA-HNNXBMFYSA-N 1 3 348.516 1.717 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418432697 446541940 /nfs/dbraw/zinc/54/19/40/446541940.db2.gz ZZLMVPRSMIEKFG-CQSZACIVSA-N 1 3 326.485 1.399 20 0 EDADHO CCOC(=O)C1CCN(C(=O)CN(C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420366902 446546242 /nfs/dbraw/zinc/54/62/42/446546242.db2.gz VDHZSZZEWMVBHY-HNNXBMFYSA-N 1 3 339.480 1.110 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000423473085 446549871 /nfs/dbraw/zinc/54/98/71/446549871.db2.gz IJENFHJXMQNUPT-XHSDSOJGSA-N 1 3 333.467 1.958 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433336212 446555952 /nfs/dbraw/zinc/55/59/52/446555952.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433336212 446555954 /nfs/dbraw/zinc/55/59/54/446555954.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000367702658 446577856 /nfs/dbraw/zinc/57/78/56/446577856.db2.gz HVWNNGUVNVWLDI-INIZCTEOSA-N 1 3 344.503 1.914 20 0 EDADHO CN(c1ccccc1C[N@H+]1CC[C@@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000367702658 446577863 /nfs/dbraw/zinc/57/78/63/446577863.db2.gz HVWNNGUVNVWLDI-INIZCTEOSA-N 1 3 344.503 1.914 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418550987 446590944 /nfs/dbraw/zinc/59/09/44/446590944.db2.gz UHROJURXDDFHRR-GOSISDBHSA-N 1 3 333.480 1.545 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000423730341 446665001 /nfs/dbraw/zinc/66/50/01/446665001.db2.gz PNXLDQDYYVTSCT-QXSJWSMHSA-N 1 3 325.522 1.945 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000423730341 446665007 /nfs/dbraw/zinc/66/50/07/446665007.db2.gz PNXLDQDYYVTSCT-QXSJWSMHSA-N 1 3 325.522 1.945 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418746225 446666623 /nfs/dbraw/zinc/66/66/23/446666623.db2.gz HTDSONJPRBISQA-MRXNPFEDSA-N 1 3 333.480 1.687 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000418750409 446670358 /nfs/dbraw/zinc/67/03/58/446670358.db2.gz OHVUXCUXCBJRLO-OAHLLOKOSA-N 1 3 344.450 1.891 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000368151628 446672022 /nfs/dbraw/zinc/67/20/22/446672022.db2.gz KINVUTSXFBTEMF-IRXDYDNUSA-N 1 3 348.466 1.647 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418754956 446674765 /nfs/dbraw/zinc/67/47/65/446674765.db2.gz WUUYQBBYNPLZDC-KGLIPLIRSA-N 1 3 330.423 1.644 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764687 446693176 /nfs/dbraw/zinc/69/31/76/446693176.db2.gz XTOKNYIRRQDLDK-HXUWFJFHSA-N 1 3 344.503 1.014 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418781853 446700472 /nfs/dbraw/zinc/70/04/72/446700472.db2.gz DLCQXOALXSPFPN-ZIAGYGMSSA-N 1 3 333.436 1.049 20 0 EDADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438708657 446796905 /nfs/dbraw/zinc/79/69/05/446796905.db2.gz NLRFCSIJKULLNX-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO COC(=O)[C@]1(C)CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000412059849 446821131 /nfs/dbraw/zinc/82/11/31/446821131.db2.gz DCICXYAYWQEWJE-GOSISDBHSA-N 1 3 325.497 1.678 20 0 EDADHO COC(=O)[C@]1(C)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000412059849 446821135 /nfs/dbraw/zinc/82/11/35/446821135.db2.gz DCICXYAYWQEWJE-GOSISDBHSA-N 1 3 325.497 1.678 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420791390 446823304 /nfs/dbraw/zinc/82/33/04/446823304.db2.gz ONTMOHDFGUPXHA-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420791390 446823311 /nfs/dbraw/zinc/82/33/11/446823311.db2.gz ONTMOHDFGUPXHA-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000419023474 446871280 /nfs/dbraw/zinc/87/12/80/446871280.db2.gz JPDIYXWSKDDTGQ-OWCLPIDISA-N 1 3 340.512 1.055 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(F)F ZINC000454444789 446876757 /nfs/dbraw/zinc/87/67/57/446876757.db2.gz CXPMDVCTHBOARA-GFCCVEGCSA-N 1 3 332.439 1.888 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419084094 446913481 /nfs/dbraw/zinc/91/34/81/446913481.db2.gz XZKWSYKMHSMWLZ-BZUAXINKSA-N 1 3 338.496 1.095 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371556787 446930367 /nfs/dbraw/zinc/93/03/67/446930367.db2.gz FJIJVWGSCPOPNU-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419147672 446963441 /nfs/dbraw/zinc/96/34/41/446963441.db2.gz CEWYGQPFSDKSMG-BZUAXINKSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)N(C)CCN)cc1 ZINC000419187687 447000145 /nfs/dbraw/zinc/00/01/45/447000145.db2.gz JLWSMZQUKQJIKU-HNNXBMFYSA-N 1 3 346.475 1.094 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N(C)CCN)cc1 ZINC000419187687 447000150 /nfs/dbraw/zinc/00/01/50/447000150.db2.gz JLWSMZQUKQJIKU-HNNXBMFYSA-N 1 3 346.475 1.094 20 0 EDADHO CC(C)(O)CN1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000368703128 447052727 /nfs/dbraw/zinc/05/27/27/447052727.db2.gz YTEFYHGPSCUANG-UHFFFAOYSA-N 1 3 340.512 1.351 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000421307217 447121192 /nfs/dbraw/zinc/12/11/92/447121192.db2.gz XAAVMMLMZQPWCA-INIZCTEOSA-N 1 3 346.475 1.548 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444174318 447087928 /nfs/dbraw/zinc/08/79/28/447087928.db2.gz FPXDKKOJDUDYKT-JHDROBOHSA-N 1 3 335.492 1.334 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397060 447141846 /nfs/dbraw/zinc/14/18/46/447141846.db2.gz QUIKULUSAODWJQ-HOCLYGCPSA-N 1 3 325.497 1.410 20 0 EDADHO O=C(c1[nH]nc2c1CNCC2)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000372613536 447184259 /nfs/dbraw/zinc/18/42/59/447184259.db2.gz ZFBUNODYZJQQGP-HNNXBMFYSA-N 1 3 339.443 1.450 20 0 EDADHO CN1CCN(C[C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983704 447191718 /nfs/dbraw/zinc/19/17/18/447191718.db2.gz FNNBIAIYIUEWQW-INIZCTEOSA-N 1 3 326.444 1.687 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455643343 447194996 /nfs/dbraw/zinc/19/49/96/447194996.db2.gz AEWLXOJYRGOJAA-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455643343 447195003 /nfs/dbraw/zinc/19/50/03/447195003.db2.gz AEWLXOJYRGOJAA-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000455657436 447198621 /nfs/dbraw/zinc/19/86/21/447198621.db2.gz LSSJIORXEZDQRQ-HNNXBMFYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000455657436 447198628 /nfs/dbraw/zinc/19/86/28/447198628.db2.gz LSSJIORXEZDQRQ-HNNXBMFYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445861959 447198598 /nfs/dbraw/zinc/19/85/98/447198598.db2.gz OFAMTGRYIODIAS-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000376041141 447228620 /nfs/dbraw/zinc/22/86/20/447228620.db2.gz FIUXXKIFNNZVOW-ZBFHGGJFSA-N 1 3 346.479 1.708 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656275 447496534 /nfs/dbraw/zinc/49/65/34/447496534.db2.gz WMFCUKWGFMRDLC-BZUAXINKSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656275 447496539 /nfs/dbraw/zinc/49/65/39/447496539.db2.gz WMFCUKWGFMRDLC-BZUAXINKSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426809940 447503802 /nfs/dbraw/zinc/50/38/02/447503802.db2.gz GWFROYDWKSTOKA-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424278 447577479 /nfs/dbraw/zinc/57/74/79/447577479.db2.gz QFNSIRDZZIQRNL-ROUUACIJSA-N 1 3 348.491 1.435 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424278 447577483 /nfs/dbraw/zinc/57/74/83/447577483.db2.gz QFNSIRDZZIQRNL-ROUUACIJSA-N 1 3 348.491 1.435 20 0 EDADHO COCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000457524608 447586902 /nfs/dbraw/zinc/58/69/02/447586902.db2.gz VCNAYCZQAXWUMZ-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH+](C)CC(C)(C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000457207754 447541569 /nfs/dbraw/zinc/54/15/69/447541569.db2.gz NFOSYYKZHCFGCG-UHFFFAOYSA-N 1 3 332.492 1.655 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCCN1CCO ZINC000416245372 447546394 /nfs/dbraw/zinc/54/63/94/447546394.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 1 3 345.487 1.398 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCCN1CCO ZINC000416245372 447546403 /nfs/dbraw/zinc/54/64/03/447546403.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 1 3 345.487 1.398 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427148628 447552710 /nfs/dbraw/zinc/55/27/10/447552710.db2.gz YPBQBGZMNIZZLR-KZNAEPCWSA-N 1 3 337.508 1.963 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000398106569 447556921 /nfs/dbraw/zinc/55/69/21/447556921.db2.gz BOGNSVHBUDHWAC-AYBZRNKSSA-N 1 3 331.460 1.392 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034008 447557482 /nfs/dbraw/zinc/55/74/82/447557482.db2.gz BVRUKDAAYFRBCE-INIZCTEOSA-N 1 3 338.496 1.016 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)C ZINC000420047300 447566304 /nfs/dbraw/zinc/56/63/04/447566304.db2.gz CISZRIUPSYYMQR-MRXNPFEDSA-N 1 3 340.512 1.197 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264797 447571857 /nfs/dbraw/zinc/57/18/57/447571857.db2.gz IZMHUVXNOFWEMB-HZPDHXFCSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361162 447572416 /nfs/dbraw/zinc/57/24/16/447572416.db2.gz QETSGYRDNQOHAX-GJZGRUSLSA-N 1 3 329.485 1.800 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420114321 447610510 /nfs/dbraw/zinc/61/05/10/447610510.db2.gz DLCPLFIDXAWFLR-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416837513 447694300 /nfs/dbraw/zinc/69/43/00/447694300.db2.gz HWXPBGCIQFJKAR-ILXRZTDVSA-N 1 3 334.489 1.888 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCCCC[NH3+])N2CCCC2)c1 ZINC000416853954 447696715 /nfs/dbraw/zinc/69/67/15/447696715.db2.gz OQDMXFZPFWPHSM-QGZVFWFLSA-N 1 3 334.464 1.870 20 0 EDADHO CN(CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000457921205 447672725 /nfs/dbraw/zinc/67/27/25/447672725.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 1 3 348.491 1.264 20 0 EDADHO CN(CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000457921205 447672731 /nfs/dbraw/zinc/67/27/31/447672731.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 1 3 348.491 1.264 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000457927305 447674385 /nfs/dbraw/zinc/67/43/85/447674385.db2.gz IGHFCXGVLPSTHE-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000457927305 447674389 /nfs/dbraw/zinc/67/43/89/447674389.db2.gz IGHFCXGVLPSTHE-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048772 447708582 /nfs/dbraw/zinc/70/85/82/447708582.db2.gz OSISOZAZXKIDGT-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416812547 447690210 /nfs/dbraw/zinc/69/02/10/447690210.db2.gz DLZVSXPUXZAUFL-KRWDZBQOSA-N 1 3 334.464 1.741 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422716393 447727097 /nfs/dbraw/zinc/72/70/97/447727097.db2.gz UMLQKKHNNLWMRJ-FXAWDEMLSA-N 1 3 330.520 1.912 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777845 447748232 /nfs/dbraw/zinc/74/82/32/447748232.db2.gz GIVRYZBVJZUCKE-GOEBONIOSA-N 1 3 328.464 1.902 20 0 EDADHO COc1ccc([C@@H](NCCCN2CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422795091 447752604 /nfs/dbraw/zinc/75/26/04/447752604.db2.gz ZRGNEGRJHGKKLA-WOJBJXKFSA-N 1 3 346.519 1.715 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000422800197 447753271 /nfs/dbraw/zinc/75/32/71/447753271.db2.gz ZNQJVRHCLNGNQB-WCQYABFASA-N 1 3 332.366 1.934 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)C1CNC1 ZINC000422800197 447753274 /nfs/dbraw/zinc/75/32/74/447753274.db2.gz ZNQJVRHCLNGNQB-WCQYABFASA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000422956009 447780154 /nfs/dbraw/zinc/78/01/54/447780154.db2.gz ODJZJNUOETXJCZ-GHMZBOCLSA-N 1 3 328.254 1.894 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430708654 447783242 /nfs/dbraw/zinc/78/32/42/447783242.db2.gz ULLRZZSMXYCRFC-GOSISDBHSA-N 1 3 347.459 1.156 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc(C(F)(F)F)cn1 ZINC000422985749 447787553 /nfs/dbraw/zinc/78/75/53/447787553.db2.gz ADVDWOODUVZQAK-CYZMBNFOSA-N 1 3 333.354 1.821 20 0 EDADHO COc1cc(NC(=O)CCN2CC[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000430930267 447788188 /nfs/dbraw/zinc/78/81/88/447788188.db2.gz XVYXKAWZEMHGQK-LBPRGKRZSA-N 1 3 337.420 1.322 20 0 EDADHO COc1ccc(COCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422996049 447788860 /nfs/dbraw/zinc/78/88/60/447788860.db2.gz SBGDAEQZSZXULS-IPMKNSEASA-N 1 3 334.460 1.959 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522924904 447864222 /nfs/dbraw/zinc/86/42/22/447864222.db2.gz MNTLXTGBEYGQFY-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522924904 447864224 /nfs/dbraw/zinc/86/42/24/447864224.db2.gz MNTLXTGBEYGQFY-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO CC(C)N(C)CC(=O)NC(C)(C)CCNC(=O)C[N@H+](C)C(C)C ZINC000452566334 447823563 /nfs/dbraw/zinc/82/35/63/447823563.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 1 3 328.501 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC(C)(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000452566334 447823564 /nfs/dbraw/zinc/82/35/64/447823564.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 1 3 328.501 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NCCC(C)(C)NC(=O)C[N@H+](C)C(C)C ZINC000452566334 447823565 /nfs/dbraw/zinc/82/35/65/447823565.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 1 3 328.501 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NCCC(C)(C)NC(=O)C[N@@H+](C)C(C)C ZINC000452566334 447823566 /nfs/dbraw/zinc/82/35/66/447823566.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 1 3 328.501 1.068 20 0 EDADHO CC(C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCCC1 ZINC000496862391 447980454 /nfs/dbraw/zinc/98/04/54/447980454.db2.gz HSUZMVSPBKTBTO-AWEZNQCLSA-N 1 3 341.500 1.745 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530912922 447983642 /nfs/dbraw/zinc/98/36/42/447983642.db2.gz CDVZSNQADPAJKO-QWFCFKBJSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576211664 447999102 /nfs/dbraw/zinc/99/91/02/447999102.db2.gz UGEONEBNXUUMEB-NXHRZFHOSA-N 1 3 345.491 1.025 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220271 448002505 /nfs/dbraw/zinc/00/25/05/448002505.db2.gz KRBLISKZMHDDAN-DZGCQCFKSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220271 448002508 /nfs/dbraw/zinc/00/25/08/448002508.db2.gz KRBLISKZMHDDAN-DZGCQCFKSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220271 448002515 /nfs/dbraw/zinc/00/25/15/448002515.db2.gz KRBLISKZMHDDAN-DZGCQCFKSA-N 1 3 334.416 1.229 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000525692909 448011961 /nfs/dbraw/zinc/01/19/61/448011961.db2.gz KUJAUBRBBAOPIS-IBGZPJMESA-N 1 3 331.460 1.176 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000525692909 448011964 /nfs/dbraw/zinc/01/19/64/448011964.db2.gz KUJAUBRBBAOPIS-IBGZPJMESA-N 1 3 331.460 1.176 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000531118529 448021970 /nfs/dbraw/zinc/02/19/70/448021970.db2.gz RZBGUQRVEDRVQH-UHFFFAOYSA-N 1 3 330.432 1.907 20 0 EDADHO C[C@@H]1CC[C@H](NC[C@@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286434 448041149 /nfs/dbraw/zinc/04/11/49/448041149.db2.gz XNOHHBMYRMBVOE-KEYYUXOJSA-N 1 3 327.469 1.431 20 0 EDADHO C[C@@H]1CC[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286434 448041151 /nfs/dbraw/zinc/04/11/51/448041151.db2.gz XNOHHBMYRMBVOE-KEYYUXOJSA-N 1 3 327.469 1.431 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299908 448058085 /nfs/dbraw/zinc/05/80/85/448058085.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 1 3 345.487 1.424 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299908 448058090 /nfs/dbraw/zinc/05/80/90/448058090.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 1 3 345.487 1.424 20 0 EDADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](c1ccccc1)N(C)C ZINC000570823931 448069879 /nfs/dbraw/zinc/06/98/79/448069879.db2.gz NZAMKSPOWHTWDG-CRAIPNDOSA-N 1 3 343.475 1.866 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000571053851 448102063 /nfs/dbraw/zinc/10/20/63/448102063.db2.gz ICUKMJOXKITRBF-CHWSQXEVSA-N 1 3 342.281 1.931 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000571053851 448102070 /nfs/dbraw/zinc/10/20/70/448102070.db2.gz ICUKMJOXKITRBF-CHWSQXEVSA-N 1 3 342.281 1.931 20 0 EDADHO COC[C@@]1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871971 448158619 /nfs/dbraw/zinc/15/86/19/448158619.db2.gz MQRJOZCTKFZLHO-MJGOQNOKSA-N 1 3 346.475 1.178 20 0 EDADHO C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000571184066 448120777 /nfs/dbraw/zinc/12/07/77/448120777.db2.gz YRFNDXDWHBYLHP-YJBOKZPZSA-N 1 3 344.503 1.773 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccncc3)CC2)CC1 ZINC000571906378 448233500 /nfs/dbraw/zinc/23/35/00/448233500.db2.gz TYAAZKNGXVDWGF-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000582900677 448372697 /nfs/dbraw/zinc/37/26/97/448372697.db2.gz RMEOXCFNDGLLNB-SJORKVTESA-N 1 3 332.448 1.378 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000582894904 448370639 /nfs/dbraw/zinc/37/06/39/448370639.db2.gz ZZTOTXJKOXJQCG-HNNXBMFYSA-N 1 3 326.485 1.269 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000577589724 448333526 /nfs/dbraw/zinc/33/35/26/448333526.db2.gz JXWCOJASMAPCJZ-NVXWUHKLSA-N 1 3 341.459 1.480 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000577589724 448333534 /nfs/dbraw/zinc/33/35/34/448333534.db2.gz JXWCOJASMAPCJZ-NVXWUHKLSA-N 1 3 341.459 1.480 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584350366 448493719 /nfs/dbraw/zinc/49/37/19/448493719.db2.gz FYWBXQXKSHECEK-RCCFBDPRSA-N 1 3 331.460 1.301 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584351487 448495645 /nfs/dbraw/zinc/49/56/45/448495645.db2.gz LQULKOQAZNNNTO-HUUCEWRRSA-N 1 3 348.491 1.339 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528445645 448532085 /nfs/dbraw/zinc/53/20/85/448532085.db2.gz NWQWOIODRPVRAY-KRWDZBQOSA-N 1 3 339.524 1.002 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000584459603 448533191 /nfs/dbraw/zinc/53/31/91/448533191.db2.gz ZWTIDZKXFZSTKD-DJIMGWMZSA-N 1 3 336.480 1.151 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)CC1 ZINC000584538813 448564208 /nfs/dbraw/zinc/56/42/08/448564208.db2.gz BPWRKHPHQDOMAP-RTBURBONSA-N 1 3 349.519 1.866 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000584464560 448535457 /nfs/dbraw/zinc/53/54/57/448535457.db2.gz YJECSHVDEABFGU-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000584464560 448535464 /nfs/dbraw/zinc/53/54/64/448535464.db2.gz YJECSHVDEABFGU-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000584464560 448535468 /nfs/dbraw/zinc/53/54/68/448535468.db2.gz YJECSHVDEABFGU-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153930 448545565 /nfs/dbraw/zinc/54/55/65/448545565.db2.gz LAGIBDZUFJLJOG-JYJNAYRXSA-N 1 3 331.464 1.237 20 0 EDADHO C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000539438909 448612681 /nfs/dbraw/zinc/61/26/81/448612681.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 1 3 328.460 1.672 20 0 EDADHO C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000539438909 448612684 /nfs/dbraw/zinc/61/26/84/448612684.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 1 3 328.460 1.672 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCN1Cc1ccccc1 ZINC000566904479 448581318 /nfs/dbraw/zinc/58/13/18/448581318.db2.gz BPFMPIGARHYNRI-FZCLSBEQSA-N 1 3 330.476 1.947 20 0 EDADHO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000517473886 448583896 /nfs/dbraw/zinc/58/38/96/448583896.db2.gz FMKSMWZWXGMXRI-GOSISDBHSA-N 1 3 345.487 1.790 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267051 448584903 /nfs/dbraw/zinc/58/49/03/448584903.db2.gz YJGUYUHEMWSTQC-IAGOWNOFSA-N 1 3 332.496 1.238 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573485276 448638733 /nfs/dbraw/zinc/63/87/33/448638733.db2.gz KXUVRNLMDRKUCB-KZNAEPCWSA-N 1 3 328.460 1.362 20 0 EDADHO CN(C)CCN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000518540526 448691028 /nfs/dbraw/zinc/69/10/28/448691028.db2.gz QMHWDHOWPBBHAF-HNNXBMFYSA-N 1 3 342.447 1.239 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000568371757 448862323 /nfs/dbraw/zinc/86/23/23/448862323.db2.gz UIUGFKGBUBGEOW-KSZLIROESA-N 1 3 349.450 1.613 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763083 448917884 /nfs/dbraw/zinc/91/78/84/448917884.db2.gz CZTSHLDAFCGNNE-RDJZCZTQSA-N 1 3 348.466 1.676 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccccc1 ZINC000547787126 448929144 /nfs/dbraw/zinc/92/91/44/448929144.db2.gz GBCVNZYFJAKHEX-FJIDUMEYSA-N 1 3 331.460 1.108 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCN2C)CC1 ZINC000520782352 448929697 /nfs/dbraw/zinc/92/96/97/448929697.db2.gz JSHGRYMAJHRZFL-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000574504370 448888157 /nfs/dbraw/zinc/88/81/57/448888157.db2.gz CXQUXPQAJDVKJU-QAPCUYQASA-N 1 3 330.476 1.905 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000574504370 448888164 /nfs/dbraw/zinc/88/81/64/448888164.db2.gz CXQUXPQAJDVKJU-QAPCUYQASA-N 1 3 330.476 1.905 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120824 449016683 /nfs/dbraw/zinc/01/66/83/449016683.db2.gz UGJSSWSNSYPHAJ-RTBURBONSA-N 1 3 344.503 1.356 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C4CC4)C3)CC2)CC1 ZINC000569503824 449035669 /nfs/dbraw/zinc/03/56/69/449035669.db2.gz SRTSKTHEXNXSOE-LJQANCHMSA-N 1 3 349.519 1.820 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530215860 449083744 /nfs/dbraw/zinc/08/37/44/449083744.db2.gz JTUVTWDOMLFEOC-DRZSPHRISA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215860 449083752 /nfs/dbraw/zinc/08/37/52/449083752.db2.gz JTUVTWDOMLFEOC-DRZSPHRISA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530215859 449084613 /nfs/dbraw/zinc/08/46/13/449084613.db2.gz JTUVTWDOMLFEOC-CYZMBNFOSA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215859 449084618 /nfs/dbraw/zinc/08/46/18/449084618.db2.gz JTUVTWDOMLFEOC-CYZMBNFOSA-N 1 3 328.359 1.893 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)cc1 ZINC000582289569 449057305 /nfs/dbraw/zinc/05/73/05/449057305.db2.gz VPWKPLRZOKDEAX-UHFFFAOYSA-N 1 3 342.447 2.513 20 0 EDADHO COC(=O)CCNC(=O)CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000600711622 449510420 /nfs/dbraw/zinc/51/04/20/449510420.db2.gz SOZJULAKIKTAQC-JKSUJKDBSA-N 1 3 333.432 1.139 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1C(F)F ZINC000617505063 449649950 /nfs/dbraw/zinc/64/99/50/449649950.db2.gz WAKWCYXTZCJLBT-NSHDSACASA-N 1 3 331.411 1.360 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1C(F)F ZINC000617505063 449649953 /nfs/dbraw/zinc/64/99/53/449649953.db2.gz WAKWCYXTZCJLBT-NSHDSACASA-N 1 3 331.411 1.360 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508012 449638617 /nfs/dbraw/zinc/63/86/17/449638617.db2.gz YSWJBGVPFCQNNG-CVEARBPZSA-N 1 3 337.464 1.300 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612980527 449969506 /nfs/dbraw/zinc/96/95/06/449969506.db2.gz SKQNXWLAWXXMAH-KRWDZBQOSA-N 1 3 343.475 1.739 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000623063149 450387138 /nfs/dbraw/zinc/38/71/38/450387138.db2.gz AOGJTRBLJHLQNN-KRWDZBQOSA-N 1 3 331.464 1.260 20 0 EDADHO COC[C@H](CCC[NH3+])NCc1cc(Br)cnc1OC ZINC000629524643 450725124 /nfs/dbraw/zinc/72/51/24/450725124.db2.gz RVVDLTVKJMKTPA-LBPRGKRZSA-N 1 3 332.242 1.696 20 0 EDADHO O[C@H](C[NH2+]CCOc1cccc(Br)c1)CN1CCCC1 ZINC000629557864 450735291 /nfs/dbraw/zinc/73/52/91/450735291.db2.gz HEHBZQXKMPUCSM-CQSZACIVSA-N 1 3 343.265 1.874 20 0 EDADHO Cc1ccc(C(=O)NC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000631877667 450840833 /nfs/dbraw/zinc/84/08/33/450840833.db2.gz FWHBOJQTFIBNNU-GOSISDBHSA-N 1 3 343.471 1.710 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652277 450816119 /nfs/dbraw/zinc/81/61/19/450816119.db2.gz XRSFRPHYMITVPB-MRXNPFEDSA-N 1 3 325.497 1.772 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC1CCC1 ZINC000633614589 450944320 /nfs/dbraw/zinc/94/43/20/450944320.db2.gz RQMYXJKHUYJXAZ-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC1CCC1 ZINC000633614589 450944325 /nfs/dbraw/zinc/94/43/25/450944325.db2.gz RQMYXJKHUYJXAZ-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO COc1cc(CNC(=O)C2(C[NH+](C)C)CC2)ccc1OCCN(C)C ZINC000635464465 450965136 /nfs/dbraw/zinc/96/51/36/450965136.db2.gz IRBAFZYHFNSGGN-UHFFFAOYSA-N 1 3 349.475 1.594 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NCC2([NH3+])CCOCC2)N(C)C)cc1 ZINC000626922387 451006074 /nfs/dbraw/zinc/00/60/74/451006074.db2.gz VPTSADBOFBPIRM-KRWDZBQOSA-N 1 3 348.491 1.659 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000627005917 451070452 /nfs/dbraw/zinc/07/04/52/451070452.db2.gz NXGBGKPZIFUOPR-IRXDYDNUSA-N 1 3 334.464 1.309 20 0 EDADHO [NH3+]CC1(NC(=O)NCC2CCN(c3ccncc3)CC2)CCOCC1 ZINC000627009649 451073835 /nfs/dbraw/zinc/07/38/35/451073835.db2.gz RMPBPJIEBCVDAS-UHFFFAOYSA-N 1 3 347.463 1.105 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nn(C)c2ccccc21 ZINC000628050618 451105764 /nfs/dbraw/zinc/10/57/64/451105764.db2.gz IKDDTLKZPADBCP-AWEZNQCLSA-N 1 3 331.464 1.575 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nn(C)c2ccccc21 ZINC000628050618 451105765 /nfs/dbraw/zinc/10/57/65/451105765.db2.gz IKDDTLKZPADBCP-AWEZNQCLSA-N 1 3 331.464 1.575 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115425 451131329 /nfs/dbraw/zinc/13/13/29/451131329.db2.gz ASFXGKOEHHVMLO-AGIUHOORSA-N 1 3 336.402 1.639 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116808 451132311 /nfs/dbraw/zinc/13/23/11/451132311.db2.gz NNHUEBLNBMSIGR-SJORKVTESA-N 1 3 338.496 1.271 20 0 EDADHO CN(CCN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101674 451266439 /nfs/dbraw/zinc/26/64/39/451266439.db2.gz QQOMGGHPPJHOMI-IBGZPJMESA-N 1 3 342.487 1.310 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCCC1)c1ccccc1 ZINC000638112529 451281127 /nfs/dbraw/zinc/28/11/27/451281127.db2.gz UDNSNUSZONEIBU-BHYGNILZSA-N 1 3 331.460 1.882 20 0 EDADHO C[C@H]1CCN(C(=O)[C@]2(C)CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131531 451303736 /nfs/dbraw/zinc/30/37/36/451303736.db2.gz RHRQRWQKHPOONT-LPHOPBHVSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@H]1CCN(C(=O)[C@]2(C)CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131531 451303739 /nfs/dbraw/zinc/30/37/39/451303739.db2.gz RHRQRWQKHPOONT-LPHOPBHVSA-N 1 3 331.460 1.488 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636588072 451328945 /nfs/dbraw/zinc/32/89/45/451328945.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636588072 451328951 /nfs/dbraw/zinc/32/89/51/451328951.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 1 3 346.475 1.017 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000638232215 451371788 /nfs/dbraw/zinc/37/17/88/451371788.db2.gz FNSLGFQJJQCAEF-LJQANCHMSA-N 1 3 346.519 1.813 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638277066 451395234 /nfs/dbraw/zinc/39/52/34/451395234.db2.gz XUUBDGPQGYSMDC-HKUYNNGSSA-N 1 3 333.476 1.864 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632560880 451401948 /nfs/dbraw/zinc/40/19/48/451401948.db2.gz BZUYFKRMXNYUHW-INIZCTEOSA-N 1 3 331.526 1.512 20 0 EDADHO C[C@@H]1CN(C(C)(C)CNC2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000638319990 451430570 /nfs/dbraw/zinc/43/05/70/451430570.db2.gz VSAAGLANEZWNRS-HZPDHXFCSA-N 1 3 341.540 1.699 20 0 EDADHO COC[C@]1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCCN1 ZINC000638350604 451451894 /nfs/dbraw/zinc/45/18/94/451451894.db2.gz DJJROCDZCGMJNI-CAWLCXJGSA-N 1 3 335.492 1.415 20 0 EDADHO C[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N(C)C ZINC000638356560 451457064 /nfs/dbraw/zinc/45/70/64/451457064.db2.gz RMCHOCVBNLSGJU-CYBMUJFWSA-N 1 3 333.480 1.533 20 0 EDADHO COCCN1CCC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634703286 451479406 /nfs/dbraw/zinc/47/94/06/451479406.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 1 3 347.503 1.324 20 0 EDADHO COCCN1CCC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634703286 451479411 /nfs/dbraw/zinc/47/94/11/451479411.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 1 3 347.503 1.324 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000638438141 451516861 /nfs/dbraw/zinc/51/68/61/451516861.db2.gz HFEVTQNQMOPASV-UHFFFAOYSA-N 1 3 345.487 1.904 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(C(F)(F)F)n1 ZINC000636160812 451555108 /nfs/dbraw/zinc/55/51/08/451555108.db2.gz HPYNFZGEIKKXIR-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(C(F)(F)F)n1 ZINC000636160812 451555110 /nfs/dbraw/zinc/55/51/10/451555110.db2.gz HPYNFZGEIKKXIR-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)CC[C@H]1C(F)(F)F ZINC000638561837 451577632 /nfs/dbraw/zinc/57/76/32/451577632.db2.gz XEPXCLNGYJUKGQ-ZIAGYGMSSA-N 1 3 327.350 1.889 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)CC[C@@H]1C(F)(F)F ZINC000638561012 451577746 /nfs/dbraw/zinc/57/77/46/451577746.db2.gz FTHUVKTWEIIIRE-MNOVXSKESA-N 1 3 347.406 1.993 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)CC[C@H]1C(F)(F)F ZINC000638561836 451577786 /nfs/dbraw/zinc/57/77/86/451577786.db2.gz XEPXCLNGYJUKGQ-UONOGXRCSA-N 1 3 327.350 1.889 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)[C@]12CCCO2 ZINC000638588783 451592993 /nfs/dbraw/zinc/59/29/93/451592993.db2.gz NPTKZSKONWBCGN-GDAAHCPNSA-N 1 3 337.508 1.471 20 0 EDADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000634959611 451623585 /nfs/dbraw/zinc/62/35/85/451623585.db2.gz WWTFSVBPQPAJHL-KRWDZBQOSA-N 1 3 349.475 1.402 20 0 EDADHO O=C1CC[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCN1 ZINC000634984654 451636165 /nfs/dbraw/zinc/63/61/65/451636165.db2.gz YGVKTOVSTIZEJV-KRWDZBQOSA-N 1 3 331.460 1.272 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cc(C2CC[NH2+]CC2)no1 ZINC000638672463 451643306 /nfs/dbraw/zinc/64/33/06/451643306.db2.gz ZDLYRENTOLZNDP-UHFFFAOYSA-N 1 3 342.399 1.876 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000632935160 451658762 /nfs/dbraw/zinc/65/87/62/451658762.db2.gz ZDHJLJWKDTZAFC-GJZGRUSLSA-N 1 3 331.464 1.782 20 0 EDADHO NC[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000638783988 451691008 /nfs/dbraw/zinc/69/10/08/451691008.db2.gz QCHDSFGAKNDXGN-ZWKOTPCHSA-N 1 3 349.450 1.485 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000638729575 451669064 /nfs/dbraw/zinc/66/90/64/451669064.db2.gz RZNWKQLYJPNRDC-WMZOPIPTSA-N 1 3 337.508 1.997 20 0 EDADHO C[C@@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000632960345 451669368 /nfs/dbraw/zinc/66/93/68/451669368.db2.gz GFUVCFYYZCLQJC-KGLIPLIRSA-N 1 3 334.468 1.659 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000632961471 451670511 /nfs/dbraw/zinc/67/05/11/451670511.db2.gz RDZMENIIXJQDEV-IAOVAPTHSA-N 1 3 346.479 1.741 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641041354 451739990 /nfs/dbraw/zinc/73/99/90/451739990.db2.gz BBVFRCRDKJEGRJ-AWEZNQCLSA-N 1 3 333.436 1.064 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000638974520 451744227 /nfs/dbraw/zinc/74/42/27/451744227.db2.gz AABCDDRLRJCCBM-QMTMVMCOSA-N 1 3 337.508 1.852 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000638977273 451744435 /nfs/dbraw/zinc/74/44/35/451744435.db2.gz QICXXBBXZZOSKN-LZQZEXGQSA-N 1 3 345.487 1.790 20 0 EDADHO [NH3+]CC1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000638996610 451750069 /nfs/dbraw/zinc/75/00/69/451750069.db2.gz LWXTXUFSDOZRAQ-UHFFFAOYSA-N 1 3 344.503 1.977 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000642021600 451806236 /nfs/dbraw/zinc/80/62/36/451806236.db2.gz HPBGJCZULGNPJD-ZWKOTPCHSA-N 1 3 346.475 1.138 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CNCCO1 ZINC000642021600 451806243 /nfs/dbraw/zinc/80/62/43/451806243.db2.gz HPBGJCZULGNPJD-ZWKOTPCHSA-N 1 3 346.475 1.138 20 0 EDADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000639312231 451821994 /nfs/dbraw/zinc/82/19/94/451821994.db2.gz UEEMFYPDSAROEH-OALUTQOASA-N 1 3 333.476 1.935 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639584572 451957826 /nfs/dbraw/zinc/95/78/26/451957826.db2.gz ZJXIKOBZNAXRAU-MRXNPFEDSA-N 1 3 332.496 1.115 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649299441 451977233 /nfs/dbraw/zinc/97/72/33/451977233.db2.gz VQLDHYUSXWJNSS-CYBMUJFWSA-N 1 3 344.419 1.135 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000649318930 451997712 /nfs/dbraw/zinc/99/77/12/451997712.db2.gz WHAAJRTVSSYSKP-LJQANCHMSA-N 1 3 349.475 1.402 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649323771 452003436 /nfs/dbraw/zinc/00/34/36/452003436.db2.gz YLVDBVBJSGNJEV-RDJZCZTQSA-N 1 3 331.460 1.564 20 0 EDADHO COC[C@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CCCN1 ZINC000649332769 452014889 /nfs/dbraw/zinc/01/48/89/452014889.db2.gz DHOAMBMOMXWNQT-SFHVURJKSA-N 1 3 335.448 1.724 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000649334909 452016673 /nfs/dbraw/zinc/01/66/73/452016673.db2.gz WCKQRQDQUYGPKP-INIZCTEOSA-N 1 3 325.497 1.773 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340983 452020937 /nfs/dbraw/zinc/02/09/37/452020937.db2.gz FHXHIPYPGWFRTK-IJEWVQPXSA-N 1 3 337.489 1.483 20 0 EDADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053941 452032283 /nfs/dbraw/zinc/03/22/83/452032283.db2.gz ZHOQVEYYNPKSJF-ITQYTPKQSA-N 1 3 343.471 1.887 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](c2ccccc2)C1 ZINC000649350610 452032749 /nfs/dbraw/zinc/03/27/49/452032749.db2.gz SBQHTKVZVQZBLF-YRXWBPOGSA-N 1 3 342.487 1.232 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)nc1 ZINC000649374026 452048758 /nfs/dbraw/zinc/04/87/58/452048758.db2.gz DPZKZFJRKHDDQH-DLBZAZTESA-N 1 3 345.491 1.167 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN(c3ccncc3)CC2)cc1 ZINC000649414716 452075625 /nfs/dbraw/zinc/07/56/25/452075625.db2.gz SNKBHSXESQOFEJ-QGZVFWFLSA-N 1 3 326.444 1.955 20 0 EDADHO CC[C@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416862 452080251 /nfs/dbraw/zinc/08/02/51/452080251.db2.gz OEBDWBZOHFEYEV-DLBZAZTESA-N 1 3 345.491 1.180 20 0 EDADHO C[NH+]1CCC(CCNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179484 452108731 /nfs/dbraw/zinc/10/87/31/452108731.db2.gz ACEYDGHTISEQCN-UHFFFAOYSA-N 1 3 329.441 1.295 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)cc1 ZINC000637861025 452119563 /nfs/dbraw/zinc/11/95/63/452119563.db2.gz QXQVTQCAUPTJFP-BEFAXECRSA-N 1 3 340.471 1.782 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000637867863 452124645 /nfs/dbraw/zinc/12/46/45/452124645.db2.gz XCRWFADKIORXBO-INIZCTEOSA-N 1 3 326.485 1.304 20 0 EDADHO CN(c1ccccc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000651939309 452180549 /nfs/dbraw/zinc/18/05/49/452180549.db2.gz AJFZPJCOFTUALW-IYBDPMFKSA-N 1 3 330.476 1.571 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000645172725 452192915 /nfs/dbraw/zinc/19/29/15/452192915.db2.gz NEZNHMXMUGVOMW-CVEARBPZSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000645172725 452192921 /nfs/dbraw/zinc/19/29/21/452192921.db2.gz NEZNHMXMUGVOMW-CVEARBPZSA-N 1 3 336.480 1.119 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(N2CCOCC2)CCCCC1 ZINC000643455781 452232748 /nfs/dbraw/zinc/23/27/48/452232748.db2.gz ZRIAFJTYSUXBKE-GVDBMIGSSA-N 1 3 325.497 1.363 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000643455781 452232752 /nfs/dbraw/zinc/23/27/52/452232752.db2.gz ZRIAFJTYSUXBKE-GVDBMIGSSA-N 1 3 325.497 1.363 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655470099 452264137 /nfs/dbraw/zinc/26/41/37/452264137.db2.gz JSNQEDDVGWWJEQ-MJGOQNOKSA-N 1 3 328.460 1.804 20 0 EDADHO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000641808394 452287703 /nfs/dbraw/zinc/28/77/03/452287703.db2.gz NCTRNVHKTMPMFQ-PSBWJHGTSA-N 1 3 346.519 1.853 20 0 EDADHO CC(C)Oc1cncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000654155577 452297324 /nfs/dbraw/zinc/29/73/24/452297324.db2.gz NBKXNIFBGYASLG-UHFFFAOYSA-N 1 3 338.456 1.221 20 0 EDADHO [NH3+]CC1(CCNC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000652127964 452324551 /nfs/dbraw/zinc/32/45/51/452324551.db2.gz KIPSLMJOGKSJOE-UHFFFAOYSA-N 1 3 330.476 1.863 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638060838 452351302 /nfs/dbraw/zinc/35/13/02/452351302.db2.gz SJSNXHIWAYGXEX-IBGZPJMESA-N 1 3 346.519 1.682 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000649890141 452366437 /nfs/dbraw/zinc/36/64/37/452366437.db2.gz ZDVKXVNSVOQGEB-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511677 452375950 /nfs/dbraw/zinc/37/59/50/452375950.db2.gz ZHUNDTUQEDBLBC-GOSISDBHSA-N 1 3 330.476 1.697 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659516394 452379508 /nfs/dbraw/zinc/37/95/08/452379508.db2.gz QNSNTSIITPRPQS-KRWDZBQOSA-N 1 3 331.464 1.345 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000659515609 452380638 /nfs/dbraw/zinc/38/06/38/452380638.db2.gz CKHMDHRDIYTBBE-KRWDZBQOSA-N 1 3 331.464 1.345 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663644711 452388209 /nfs/dbraw/zinc/38/82/09/452388209.db2.gz ZSOXJXQTFXSYLC-WBVHZDCISA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663644711 452388216 /nfs/dbraw/zinc/38/82/16/452388216.db2.gz ZSOXJXQTFXSYLC-WBVHZDCISA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545327 452402923 /nfs/dbraw/zinc/40/29/23/452402923.db2.gz ZSKNWVIVWVHUHV-JLSDUUJJSA-N 1 3 346.475 1.193 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654382487 452435057 /nfs/dbraw/zinc/43/50/57/452435057.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654382487 452435063 /nfs/dbraw/zinc/43/50/63/452435063.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652318946 452491465 /nfs/dbraw/zinc/49/14/65/452491465.db2.gz HFLURJAZQPRQLU-UHFFFAOYSA-N 1 3 339.528 1.091 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000655920970 452683900 /nfs/dbraw/zinc/68/39/00/452683900.db2.gz VCMKNYGEKIMBFB-CYBMUJFWSA-N 1 3 344.381 1.274 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655958514 452738498 /nfs/dbraw/zinc/73/84/98/452738498.db2.gz LXQGPQFEKYYGHN-IAOVAPTHSA-N 1 3 344.459 1.778 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973863 452756072 /nfs/dbraw/zinc/75/60/72/452756072.db2.gz JSZOTWSJCVIHJB-IAGOWNOFSA-N 1 3 338.496 1.543 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652612610 452771539 /nfs/dbraw/zinc/77/15/39/452771539.db2.gz XDDIQVUFDNIEAH-LSDHHAIUSA-N 1 3 334.468 1.298 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000652612648 452771688 /nfs/dbraw/zinc/77/16/88/452771688.db2.gz YJVJMOVIQFJAKR-HNNXBMFYSA-N 1 3 334.468 1.298 20 0 EDADHO COCCC1(C(=O)Nc2ccc3c(c2F)CCNC3)CC[NH2+]CC1 ZINC000648132450 452846093 /nfs/dbraw/zinc/84/60/93/452846093.db2.gz RGWMJPOXOYFMFP-UHFFFAOYSA-N 1 3 335.423 1.816 20 0 EDADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000648167874 452877999 /nfs/dbraw/zinc/87/79/99/452877999.db2.gz BNPQUJZYBCEEKD-QEJZJMRPSA-N 1 3 327.419 1.707 20 0 EDADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000648167874 452878005 /nfs/dbraw/zinc/87/80/05/452878005.db2.gz BNPQUJZYBCEEKD-QEJZJMRPSA-N 1 3 327.419 1.707 20 0 EDADHO Cc1nc(-c2ccncc2)nc(NCC[N@@H+](C)CCCN(C)C)c1C ZINC000664247840 452927538 /nfs/dbraw/zinc/92/75/38/452927538.db2.gz SKRRXPGWQIGWTH-UHFFFAOYSA-N 1 3 342.491 1.873 20 0 EDADHO Cc1nc(-c2ccncc2)nc(NCC[N@H+](C)CCCN(C)C)c1C ZINC000664247840 452927545 /nfs/dbraw/zinc/92/75/45/452927545.db2.gz SKRRXPGWQIGWTH-UHFFFAOYSA-N 1 3 342.491 1.873 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658424422 452949354 /nfs/dbraw/zinc/94/93/54/452949354.db2.gz NQNNZPZYOFTNQU-CQSZACIVSA-N 1 3 334.464 1.452 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000660054988 452970046 /nfs/dbraw/zinc/97/00/46/452970046.db2.gz ATICNMTYTHWXFV-CALCHBBNSA-N 1 3 338.540 1.354 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000660054988 452970052 /nfs/dbraw/zinc/97/00/52/452970052.db2.gz ATICNMTYTHWXFV-CALCHBBNSA-N 1 3 338.540 1.354 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCSc2ccc(F)cc2F)C1 ZINC000662243515 452970585 /nfs/dbraw/zinc/97/05/85/452970585.db2.gz MLRWTSIRUNYKCS-LBPRGKRZSA-N 1 3 343.443 1.844 20 0 EDADHO OCCN(CCOCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662258968 452987598 /nfs/dbraw/zinc/98/75/98/452987598.db2.gz ZIEQGLNLTPDGBU-UHFFFAOYSA-N 1 3 332.366 1.706 20 0 EDADHO c1cnn(CCN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327322 453046956 /nfs/dbraw/zinc/04/69/56/453046956.db2.gz NGBNTWJNJGZESR-UHFFFAOYSA-N 1 3 328.464 1.953 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664410635 453071908 /nfs/dbraw/zinc/07/19/08/453071908.db2.gz YBJURFWXJJCNRH-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H](N2CCCC2)C1 ZINC000662396433 453106668 /nfs/dbraw/zinc/10/66/68/453106668.db2.gz AVCGZLQLNPGTBS-HNNXBMFYSA-N 1 3 332.448 1.842 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000666754340 453117736 /nfs/dbraw/zinc/11/77/36/453117736.db2.gz LGFXKKNLJZYARJ-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO [NH3+]CCOCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000646140210 453147990 /nfs/dbraw/zinc/14/79/90/453147990.db2.gz ALFOEYCEDQCWAY-IBGZPJMESA-N 1 3 331.460 1.476 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000646189609 453202094 /nfs/dbraw/zinc/20/20/94/453202094.db2.gz XOXXQYHBMMCELL-SJLPKXTDSA-N 1 3 328.460 1.738 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000646189609 453202098 /nfs/dbraw/zinc/20/20/98/453202098.db2.gz XOXXQYHBMMCELL-SJLPKXTDSA-N 1 3 328.460 1.738 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655121726 453239288 /nfs/dbraw/zinc/23/92/88/453239288.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655121726 453239291 /nfs/dbraw/zinc/23/92/91/453239291.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CC12CCOCC2 ZINC000662572000 453297922 /nfs/dbraw/zinc/29/79/22/453297922.db2.gz VNESRFGSYMWICC-NVXWUHKLSA-N 1 3 329.444 1.435 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000662659580 453374151 /nfs/dbraw/zinc/37/41/51/453374151.db2.gz SQLUQMAKQFZFKM-ZWKOTPCHSA-N 1 3 347.528 1.857 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000662659580 453374160 /nfs/dbraw/zinc/37/41/60/453374160.db2.gz SQLUQMAKQFZFKM-ZWKOTPCHSA-N 1 3 347.528 1.857 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000662661890 453375250 /nfs/dbraw/zinc/37/52/50/453375250.db2.gz WMDWWXGMMYFNON-OKZBNKHCSA-N 1 3 347.459 1.312 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192207 453382080 /nfs/dbraw/zinc/38/20/80/453382080.db2.gz ITRCBHQWEPOMQI-XWTMOSNGSA-N 1 3 331.460 1.301 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@H]1C ZINC000662679163 453398579 /nfs/dbraw/zinc/39/85/79/453398579.db2.gz KYUOSQYRQTWGBC-PMPSAXMXSA-N 1 3 348.495 1.585 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000662687128 453407859 /nfs/dbraw/zinc/40/78/59/453407859.db2.gz UBCQKTQVRUCPHF-GUYCJALGSA-N 1 3 341.415 1.400 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1(C)C ZINC000662686944 453408643 /nfs/dbraw/zinc/40/86/43/453408643.db2.gz RPTBWUZCHJQFRB-MDZRGWNJSA-N 1 3 347.459 1.819 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000662690486 453409821 /nfs/dbraw/zinc/40/98/21/453409821.db2.gz ABKDQXWSTJMUFI-KSZLIROESA-N 1 3 331.460 1.379 20 0 EDADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419888 /nfs/dbraw/zinc/41/98/88/453419888.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 1 3 343.471 1.176 20 0 EDADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419898 /nfs/dbraw/zinc/41/98/98/453419898.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 1 3 343.471 1.176 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)C3(NC4CC4)CCC3)CC2)CC1 ZINC000662699677 453420572 /nfs/dbraw/zinc/42/05/72/453420572.db2.gz FOIVRGVZBYTXMX-UHFFFAOYSA-N 1 3 334.508 1.336 20 0 EDADHO O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000653248007 453434567 /nfs/dbraw/zinc/43/45/67/453434567.db2.gz WILDNHHDDOEWJT-UHFFFAOYSA-N 1 3 343.475 1.930 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664895436 453470255 /nfs/dbraw/zinc/47/02/55/453470255.db2.gz FVCWHSOIGOBNAD-AWEZNQCLSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000664898438 453470483 /nfs/dbraw/zinc/47/04/83/453470483.db2.gz ZUVXYZXCIQGSKQ-FUHWJXTLSA-N 1 3 332.492 1.895 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000664898438 453470496 /nfs/dbraw/zinc/47/04/96/453470496.db2.gz ZUVXYZXCIQGSKQ-FUHWJXTLSA-N 1 3 332.492 1.895 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662814060 453546500 /nfs/dbraw/zinc/54/65/00/453546500.db2.gz NUCNTFBZYNLDNR-MOPGFXCFSA-N 1 3 343.471 1.691 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1ccccc1F ZINC000662817225 453549122 /nfs/dbraw/zinc/54/91/22/453549122.db2.gz RUNNXADIWOXHSD-NJZAAPMLSA-N 1 3 345.340 1.621 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836739 453562289 /nfs/dbraw/zinc/56/22/89/453562289.db2.gz DBPIFIYQSZGYEJ-CVEARBPZSA-N 1 3 331.464 1.095 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N(C)CC(C)(C)[NH3+])CC2)c1 ZINC000662845862 453567019 /nfs/dbraw/zinc/56/70/19/453567019.db2.gz XWVYKQVCQJYVOQ-UHFFFAOYSA-N 1 3 332.492 1.703 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000658997079 453572623 /nfs/dbraw/zinc/57/26/23/453572623.db2.gz UFARUCKHAIXLTR-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857895 453573326 /nfs/dbraw/zinc/57/33/26/453573326.db2.gz CRNDLRSCVHZTQU-HKUYNNGSSA-N 1 3 331.460 1.402 20 0 EDADHO C[NH+](C)CC1(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CCC1 ZINC000659041787 453596211 /nfs/dbraw/zinc/59/62/11/453596211.db2.gz IZFSZZJIDCEPBM-INIZCTEOSA-N 1 3 332.448 1.953 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282889 453634395 /nfs/dbraw/zinc/63/43/95/453634395.db2.gz DLBAFDJXNSBASN-RNQOJCNYSA-N 1 3 346.519 1.145 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000659295257 453705837 /nfs/dbraw/zinc/70/58/37/453705837.db2.gz SMHQLMJMCSUZAK-QGZVFWFLSA-N 1 3 337.427 1.664 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553875 453745407 /nfs/dbraw/zinc/74/54/07/453745407.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553875 453745410 /nfs/dbraw/zinc/74/54/10/453745410.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000665637424 453777657 /nfs/dbraw/zinc/77/76/57/453777657.db2.gz CLAOIBCBGHRADO-HOTGVXAUSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000665637424 453777660 /nfs/dbraw/zinc/77/76/60/453777660.db2.gz CLAOIBCBGHRADO-HOTGVXAUSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000665640003 453778820 /nfs/dbraw/zinc/77/88/20/453778820.db2.gz LJTCPWBRRDRCLK-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000665640003 453778822 /nfs/dbraw/zinc/77/88/22/453778822.db2.gz LJTCPWBRRDRCLK-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO Cn1ncc(C(F)(F)F)c1CNCCN1CCC([NH+](C)C)CC1 ZINC000657387101 453779721 /nfs/dbraw/zinc/77/97/21/453779721.db2.gz QCAZLFLSFIOZNQ-UHFFFAOYSA-N 1 3 333.402 1.555 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(N)=O)c1 ZINC000663456252 453802995 /nfs/dbraw/zinc/80/29/95/453802995.db2.gz ZUSXEXIQINNPMO-ZDUSSCGKSA-N 1 3 335.452 1.179 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C(N)=O)c1 ZINC000663456252 453802996 /nfs/dbraw/zinc/80/29/96/453802996.db2.gz ZUSXEXIQINNPMO-ZDUSSCGKSA-N 1 3 335.452 1.179 20 0 EDADHO C[C@@H](NCCNc1ccc(-c2ccccc2)nn1)[C@H]1CCC[NH2+]C1 ZINC000515164895 486734966 /nfs/dbraw/zinc/73/49/66/486734966.db2.gz XTVYNMFANFZXKW-WBVHZDCISA-N 1 3 325.460 2.533 20 0 EDADHO COC[C@H](C)OC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683665237 486783110 /nfs/dbraw/zinc/78/31/10/486783110.db2.gz WEOAKLMSLOAUAA-HKUYNNGSSA-N 1 3 342.524 1.987 20 0 EDADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000667642209 486895488 /nfs/dbraw/zinc/89/54/88/486895488.db2.gz SIQBHJOZDKNGSX-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000667809133 486975882 /nfs/dbraw/zinc/97/58/82/486975882.db2.gz IXOFUYHIPZRYEE-CABCVRRESA-N 1 3 331.464 1.894 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000673706340 487096888 /nfs/dbraw/zinc/09/68/88/487096888.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 1 3 334.508 1.844 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000673706340 487096893 /nfs/dbraw/zinc/09/68/93/487096893.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 1 3 334.508 1.844 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1(C)C ZINC000685042563 487220120 /nfs/dbraw/zinc/22/01/20/487220120.db2.gz DLAVAUPXIZSBOK-UHFFFAOYSA-N 1 3 344.503 1.694 20 0 EDADHO Cc1ncc2n1CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C3CCN(C)CC3)C1)C2 ZINC000685734454 487316319 /nfs/dbraw/zinc/31/63/19/487316319.db2.gz YVXIWPCKHUPACV-CVEARBPZSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1CC[C@@H](C(=O)N[C@H]1CC[N@H+](C3CCN(C)CC3)C1)C2 ZINC000685734454 487316322 /nfs/dbraw/zinc/31/63/22/487316322.db2.gz YVXIWPCKHUPACV-CVEARBPZSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1CC[C@@H](C(=O)N[C@H]1CCN(C3CC[NH+](C)CC3)C1)C2 ZINC000685734454 487316326 /nfs/dbraw/zinc/31/63/26/487316326.db2.gz YVXIWPCKHUPACV-CVEARBPZSA-N 1 3 345.491 1.039 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679721788 487461603 /nfs/dbraw/zinc/46/16/03/487461603.db2.gz RRPRHYCPKCDFMI-KZNAEPCWSA-N 1 3 340.475 1.643 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679721788 487461604 /nfs/dbraw/zinc/46/16/04/487461604.db2.gz RRPRHYCPKCDFMI-KZNAEPCWSA-N 1 3 340.475 1.643 20 0 EDADHO Cn1nnnc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000679721788 487461605 /nfs/dbraw/zinc/46/16/05/487461605.db2.gz RRPRHYCPKCDFMI-KZNAEPCWSA-N 1 3 340.475 1.643 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570466 485589437 /nfs/dbraw/zinc/58/94/37/485589437.db2.gz WBWMXVUSRLMYRD-GOSISDBHSA-N 1 3 346.475 1.329 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573736 485605813 /nfs/dbraw/zinc/60/58/13/485605813.db2.gz CHSIWPFSBGATFR-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669573791 485606131 /nfs/dbraw/zinc/60/61/31/485606131.db2.gz YINQGPPANHOHOM-OTWHNJEPSA-N 1 3 342.487 1.902 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000669583457 485632162 /nfs/dbraw/zinc/63/21/62/485632162.db2.gz DDJKFXNDWHZDCS-NUJGCVRESA-N 1 3 348.491 1.664 20 0 EDADHO C[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000672947046 485742146 /nfs/dbraw/zinc/74/21/46/485742146.db2.gz RKRFQPGPNNZBMN-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000669618878 485826374 /nfs/dbraw/zinc/82/63/74/485826374.db2.gz XYVHAISPKKIZKE-OAHLLOKOSA-N 1 3 343.479 1.339 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(N[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000584523906 485869988 /nfs/dbraw/zinc/86/99/88/485869988.db2.gz KCIUSGLNTBGWIL-AEFFLSMTSA-N 1 3 330.476 1.923 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668649536 485994498 /nfs/dbraw/zinc/99/44/98/485994498.db2.gz QLXFKIDMPOOMMV-BZSNNMDCSA-N 1 3 330.476 1.553 20 0 EDADHO CC1(NC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]CC1 ZINC000669389526 486025425 /nfs/dbraw/zinc/02/54/25/486025425.db2.gz KSHAIHQZXBTDDF-UHFFFAOYSA-N 1 3 340.537 1.789 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000151557617 486106926 /nfs/dbraw/zinc/10/69/26/486106926.db2.gz DPIJGPJOJLHWBB-UHFFFAOYSA-N 1 3 330.476 1.375 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787446 486220129 /nfs/dbraw/zinc/22/01/29/486220129.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 1 3 327.432 1.233 20 0 EDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787446 486220131 /nfs/dbraw/zinc/22/01/31/486220131.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 1 3 327.432 1.233 20 0 EDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787446 486220133 /nfs/dbraw/zinc/22/01/33/486220133.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 1 3 327.432 1.233 20 0 EDADHO CC(=O)NCC[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000347666051 534448298 /nfs/dbraw/zinc/44/82/98/534448298.db2.gz GGNXHHUTLVMJGI-IBGZPJMESA-N 1 3 338.540 1.641 20 0 EDADHO CC(=O)NCC[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000347666051 534448304 /nfs/dbraw/zinc/44/83/04/534448304.db2.gz GGNXHHUTLVMJGI-IBGZPJMESA-N 1 3 338.540 1.641 20 0 EDADHO CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000339497428 535467799 /nfs/dbraw/zinc/46/77/99/535467799.db2.gz HLADZETVKBIYMJ-GOSISDBHSA-N 1 3 332.492 1.943 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339946986 535587689 /nfs/dbraw/zinc/58/76/89/535587689.db2.gz SCZSJRDUTYEWRD-DLBZAZTESA-N 1 3 341.544 1.288 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)C1CCOCC1 ZINC000261860580 535611033 /nfs/dbraw/zinc/61/10/33/535611033.db2.gz SEIPYSMBYIFQPQ-GOSISDBHSA-N 1 3 333.476 1.899 20 0 EDADHO CCc1noc(C)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261660026 535877009 /nfs/dbraw/zinc/87/70/09/535877009.db2.gz BDBZMIGTFMMSEE-YOEHRIQHSA-N 1 3 334.464 1.626 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393113 535952047 /nfs/dbraw/zinc/95/20/47/535952047.db2.gz FUXMHTYBZXVRGT-RDJZCZTQSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393113 535952050 /nfs/dbraw/zinc/95/20/50/535952050.db2.gz FUXMHTYBZXVRGT-RDJZCZTQSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)C[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739751 535953044 /nfs/dbraw/zinc/95/30/44/535953044.db2.gz JCSVJVMRNSSEDU-AEFFLSMTSA-N 1 3 341.459 1.840 20 0 EDADHO CN(C(=O)C1(C[NH3+])CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC000261589229 535960021 /nfs/dbraw/zinc/96/00/21/535960021.db2.gz WCYPHNZBMSPPFB-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000261762694 536019011 /nfs/dbraw/zinc/01/90/11/536019011.db2.gz XWTXPNKUBVKPID-UHFFFAOYSA-N 1 3 345.468 1.830 20 0 EDADHO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CC3)cc2)CC1 ZINC000262708658 536342458 /nfs/dbraw/zinc/34/24/58/536342458.db2.gz OJBWCFFXIWRKGM-UHFFFAOYSA-N 1 3 331.420 1.332 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261880084 536433225 /nfs/dbraw/zinc/43/32/25/536433225.db2.gz PCMATPFXMKTWHK-KRWDZBQOSA-N 1 3 331.460 1.475 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261880084 536433226 /nfs/dbraw/zinc/43/32/26/536433226.db2.gz PCMATPFXMKTWHK-KRWDZBQOSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000262832166 536564740 /nfs/dbraw/zinc/56/47/40/536564740.db2.gz HYGDFIMJPWWJTI-SFHVURJKSA-N 1 3 348.491 1.069 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)N(C)C1 ZINC000348027832 536774579 /nfs/dbraw/zinc/77/45/79/536774579.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)N(C)C1 ZINC000348027832 536774581 /nfs/dbraw/zinc/77/45/81/536774581.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)N(C)C1 ZINC000346533525 536777912 /nfs/dbraw/zinc/77/79/12/536777912.db2.gz NQDGOJSYJSVPTI-OWCLPIDISA-N 1 3 328.501 1.323 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908375 578491657 /nfs/dbraw/zinc/49/16/57/578491657.db2.gz YFPCBCAHNONPBW-INIZCTEOSA-N 1 3 342.553 1.436 20 0 EDADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000733165263 578745609 /nfs/dbraw/zinc/74/56/09/578745609.db2.gz AKEVUKFOWXRXKB-ZWKOTPCHSA-N 1 3 332.492 1.996 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734275679 578804302 /nfs/dbraw/zinc/80/43/02/578804302.db2.gz AZJCVMGQTTWGEF-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734275679 578804303 /nfs/dbraw/zinc/80/43/03/578804303.db2.gz AZJCVMGQTTWGEF-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO C[NH+]1CCC(CNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000734274928 578804330 /nfs/dbraw/zinc/80/43/30/578804330.db2.gz FMTAKXANQAODAA-KRWDZBQOSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](CCN1CCC2(CC1)OCCO2)[NH+]1CCC2(CC1)OCCO2 ZINC000746499431 579598563 /nfs/dbraw/zinc/59/85/63/579598563.db2.gz KGZAQUXWIAOACU-MRXNPFEDSA-N 1 3 340.464 1.443 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCSC1=O ZINC000750734715 579779046 /nfs/dbraw/zinc/77/90/46/579779046.db2.gz MDQMNHYMULXWMX-CQSZACIVSA-N 1 3 342.509 1.030 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CN1CCSC1=O ZINC000750734715 579779047 /nfs/dbraw/zinc/77/90/47/579779047.db2.gz MDQMNHYMULXWMX-CQSZACIVSA-N 1 3 342.509 1.030 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605164 580124525 /nfs/dbraw/zinc/12/45/25/580124525.db2.gz DYFPNGYEKHOPKS-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605164 580124526 /nfs/dbraw/zinc/12/45/26/580124526.db2.gz DYFPNGYEKHOPKS-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000770430841 580260285 /nfs/dbraw/zinc/26/02/85/580260285.db2.gz DJAKHKJZJIUKOP-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774296174 580359033 /nfs/dbraw/zinc/35/90/33/580359033.db2.gz FNNKKNXBNJWSEB-BHYGNILZSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774296174 580359034 /nfs/dbraw/zinc/35/90/34/580359034.db2.gz FNNKKNXBNJWSEB-BHYGNILZSA-N 1 3 330.428 1.919 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OCC(N)=O)cc1 ZINC000774731005 580372367 /nfs/dbraw/zinc/37/23/67/580372367.db2.gz RRYNRJCMBHQPBP-UHFFFAOYSA-N 1 3 348.491 1.009 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726975 581035472 /nfs/dbraw/zinc/03/54/72/581035472.db2.gz UEXRPERYAWXXAI-ILXRZTDVSA-N 1 3 329.579 1.982 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818801 590636107 /nfs/dbraw/zinc/63/61/07/590636107.db2.gz YKDYNLDMGKOEEK-KBAYOESNSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC000892000135 590737132 /nfs/dbraw/zinc/73/71/32/590737132.db2.gz QKASKKLKJGKLSD-NLWGTHIKSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620508 591013376 /nfs/dbraw/zinc/01/33/76/591013376.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620508 591013382 /nfs/dbraw/zinc/01/33/82/591013382.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 1 3 342.487 1.852 20 0 EDADHO CCCN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000892477501 591041101 /nfs/dbraw/zinc/04/11/01/591041101.db2.gz CTYLQQVVEUQVQS-INIZCTEOSA-N 1 3 334.468 1.756 20 0 EDADHO CCOCc1nc(C)cc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000892483161 591043484 /nfs/dbraw/zinc/04/34/84/591043484.db2.gz YFSBQVYHFVOAJM-KRWDZBQOSA-N 1 3 347.507 1.926 20 0 EDADHO CO[C@H]1CC[C@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521891 591057723 /nfs/dbraw/zinc/05/77/23/591057723.db2.gz IPUHZEFZSXHKEU-SJORKVTESA-N 1 3 338.496 1.364 20 0 EDADHO CCC1([NH3+])CCN(C(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000891491688 591091684 /nfs/dbraw/zinc/09/16/84/591091684.db2.gz BILJGQTWOSQFHI-UHFFFAOYSA-N 1 3 326.485 1.400 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000891515056 591102464 /nfs/dbraw/zinc/10/24/64/591102464.db2.gz IGWNVHFLXPDTIH-UHFFFAOYSA-N 1 3 336.480 1.596 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000891518380 591104902 /nfs/dbraw/zinc/10/49/02/591104902.db2.gz PWWLOXBXHHEQIH-RHSMWYFYSA-N 1 3 346.475 1.274 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891536058 591111684 /nfs/dbraw/zinc/11/16/84/591111684.db2.gz CBOZETMPDVYEGN-MSOLQXFVSA-N 1 3 348.491 1.357 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000893915303 591136449 /nfs/dbraw/zinc/13/64/49/591136449.db2.gz XICMNPANTIPOFX-OAHLLOKOSA-N 1 3 349.479 1.163 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000893915303 591136450 /nfs/dbraw/zinc/13/64/50/591136450.db2.gz XICMNPANTIPOFX-OAHLLOKOSA-N 1 3 349.479 1.163 20 0 EDADHO CCC1([NH3+])CCN(C(=O)NC2CCN(CCOC(C)C)CC2)CC1 ZINC000891634011 591160285 /nfs/dbraw/zinc/16/02/85/591160285.db2.gz COQKFAPRYZPYDK-UHFFFAOYSA-N 1 3 340.512 1.789 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CCSC1 ZINC000891639753 591162744 /nfs/dbraw/zinc/16/27/44/591162744.db2.gz SSGWKSKKMUJCOI-FUHWJXTLSA-N 1 3 348.516 1.437 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672431 591178339 /nfs/dbraw/zinc/17/83/39/591178339.db2.gz ANCPRFRHBGSPOO-DNIRFERGSA-N 1 3 334.386 1.248 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892804168 591183743 /nfs/dbraw/zinc/18/37/43/591183743.db2.gz AHSFTBRCHTWRGM-QZTJIDSGSA-N 1 3 330.476 1.827 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892808203 591186967 /nfs/dbraw/zinc/18/69/67/591186967.db2.gz LZBKNCGVZNGFIU-QAPCUYQASA-N 1 3 330.476 1.684 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892808203 591186969 /nfs/dbraw/zinc/18/69/69/591186969.db2.gz LZBKNCGVZNGFIU-QAPCUYQASA-N 1 3 330.476 1.684 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105434 591195646 /nfs/dbraw/zinc/19/56/46/591195646.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105434 591195648 /nfs/dbraw/zinc/19/56/48/591195648.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000891766850 591217514 /nfs/dbraw/zinc/21/75/14/591217514.db2.gz YEIUZLSRMRJTCB-GDBMZVCRSA-N 1 3 336.480 1.095 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000892943109 591232647 /nfs/dbraw/zinc/23/26/47/591232647.db2.gz DHWIUIMOSJQIPX-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892992744 591249103 /nfs/dbraw/zinc/24/91/03/591249103.db2.gz YFAVZSLFTUDTJF-MVCQKVDPSA-N 1 3 343.519 1.807 20 0 EDADHO C[C@H](CN1CCN(c2ccccn2)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892992744 591249104 /nfs/dbraw/zinc/24/91/04/591249104.db2.gz YFAVZSLFTUDTJF-MVCQKVDPSA-N 1 3 343.519 1.807 20 0 EDADHO C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255956 /nfs/dbraw/zinc/25/59/56/591255956.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 1 3 342.487 1.868 20 0 EDADHO C[N@H+]1C[C@@H](CNC(=O)N[C@@H]2CCN(C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255959 /nfs/dbraw/zinc/25/59/59/591255959.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 1 3 342.487 1.868 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894815334 591428047 /nfs/dbraw/zinc/42/80/47/591428047.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 1 3 338.496 1.101 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894815334 591428052 /nfs/dbraw/zinc/42/80/52/591428052.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 1 3 338.496 1.101 20 0 EDADHO c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCOCC3)CC2)ccn1 ZINC000897227365 591778563 /nfs/dbraw/zinc/77/85/63/591778563.db2.gz CRSITMYVRGXYDU-LJQANCHMSA-N 1 3 330.476 1.893 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000899991304 591859763 /nfs/dbraw/zinc/85/97/63/591859763.db2.gz HDDDZOVCGNCIBN-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000900013685 591872667 /nfs/dbraw/zinc/87/26/67/591872667.db2.gz OAIZEDCJICOIST-QUCCMNQESA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000900013685 591872670 /nfs/dbraw/zinc/87/26/70/591872670.db2.gz OAIZEDCJICOIST-QUCCMNQESA-N 1 3 345.487 1.787 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316699 591976560 /nfs/dbraw/zinc/97/65/60/591976560.db2.gz BXQZDLZJRKOXJS-GJZGRUSLSA-N 1 3 330.476 1.732 20 0 EDADHO C[NH+]1CCC2(CCN2C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000899911199 591979483 /nfs/dbraw/zinc/97/94/83/591979483.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 1 3 329.488 1.576 20 0 EDADHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336545 591980705 /nfs/dbraw/zinc/98/07/05/591980705.db2.gz NIIMDDBHAVJTDJ-QGZVFWFLSA-N 1 3 331.508 1.701 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900335922 591988049 /nfs/dbraw/zinc/98/80/49/591988049.db2.gz NJXNITSLUKZTIS-HOTGVXAUSA-N 1 3 349.523 1.931 20 0 EDADHO CN(C)CCn1nccc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000900413370 592011781 /nfs/dbraw/zinc/01/17/81/592011781.db2.gz VKLVKCOCPYZNHF-UHFFFAOYSA-N 1 3 335.496 1.781 20 0 EDADHO CN(C)CCn1nccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000900413370 592011783 /nfs/dbraw/zinc/01/17/83/592011783.db2.gz VKLVKCOCPYZNHF-UHFFFAOYSA-N 1 3 335.496 1.781 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccccn1 ZINC000900482064 592030687 /nfs/dbraw/zinc/03/06/87/592030687.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 1 3 333.480 1.368 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNc1ccccn1 ZINC000900482064 592030688 /nfs/dbraw/zinc/03/06/88/592030688.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 1 3 333.480 1.368 20 0 EDADHO CN(C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470829 592175286 /nfs/dbraw/zinc/17/52/86/592175286.db2.gz DQQHINULKZEDPN-SJORKVTESA-N 1 3 330.476 1.280 20 0 EDADHO CCCCC[C@H](C)NC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491764 592184869 /nfs/dbraw/zinc/18/48/69/592184869.db2.gz ABOWISMIVIWZMI-AFIMGQEJSA-N 1 3 339.480 1.284 20 0 EDADHO C[C@@H]1CN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903496905 592188298 /nfs/dbraw/zinc/18/82/98/592188298.db2.gz JORIXJSFTRQYON-KZNAEPCWSA-N 1 3 344.503 1.546 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC1CCCC1 ZINC000903509194 592189862 /nfs/dbraw/zinc/18/98/62/592189862.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 1 3 334.508 1.336 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC1CCCC1 ZINC000903509194 592189864 /nfs/dbraw/zinc/18/98/64/592189864.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 1 3 334.508 1.336 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)NC1CCCC1 ZINC000903509194 592189866 /nfs/dbraw/zinc/18/98/66/592189866.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 1 3 334.508 1.336 20 0 EDADHO CC(C)N(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)C(C)C ZINC000903510835 592190508 /nfs/dbraw/zinc/19/05/08/592190508.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 1 3 336.524 1.532 20 0 EDADHO CC(C)N(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)C(C)C ZINC000903510835 592190509 /nfs/dbraw/zinc/19/05/09/592190509.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 1 3 336.524 1.532 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532667 592208579 /nfs/dbraw/zinc/20/85/79/592208579.db2.gz IZZJHMUKDXPKDQ-UHFFFAOYSA-N 1 3 339.505 1.260 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000904353838 592237770 /nfs/dbraw/zinc/23/77/70/592237770.db2.gz SJSZGCDPQHPWIL-UHFFFAOYSA-N 1 3 336.484 1.674 20 0 EDADHO CN(C)C(=O)c1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000904373425 592240931 /nfs/dbraw/zinc/24/09/31/592240931.db2.gz QKPLIFFKTYKGIP-MSOLQXFVSA-N 1 3 343.471 1.589 20 0 EDADHO O=C1C[C@@H](c2ccccc2)N(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723306 592283836 /nfs/dbraw/zinc/28/38/36/592283836.db2.gz UXZFHJPZZUYWHA-ROUUACIJSA-N 1 3 343.471 1.708 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)N3CCCCC3)CC2)C1 ZINC000906713016 592284213 /nfs/dbraw/zinc/28/42/13/592284213.db2.gz WHGSBRXYORQQNG-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)N3CCCCC3)CC2)C1 ZINC000906713016 592284216 /nfs/dbraw/zinc/28/42/16/592284216.db2.gz WHGSBRXYORQQNG-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO O=C(NC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726961 592286122 /nfs/dbraw/zinc/28/61/22/592286122.db2.gz PPXAWFZKIYVOPT-AZUAARDMSA-N 1 3 349.519 1.916 20 0 EDADHO COc1ccc([C@@H](CO)N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728920 592286347 /nfs/dbraw/zinc/28/63/47/592286347.db2.gz HMPUEUIPEUUELO-ZWKOTPCHSA-N 1 3 334.460 1.819 20 0 EDADHO CC(C)C(=O)NC[C@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727640 592286448 /nfs/dbraw/zinc/28/64/48/592286448.db2.gz WKBJTJPADTVOFC-IAGOWNOFSA-N 1 3 337.508 1.629 20 0 EDADHO COC(=O)[C@H](C)[C@H](NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760144 592306695 /nfs/dbraw/zinc/30/66/95/592306695.db2.gz VDBWFGNYGYWJBS-QSOKESPWSA-N 1 3 332.444 1.895 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761538 592308014 /nfs/dbraw/zinc/30/80/14/592308014.db2.gz VSUZSICIEURFNE-CQSZACIVSA-N 1 3 325.482 1.286 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761538 592308016 /nfs/dbraw/zinc/30/80/16/592308016.db2.gz VSUZSICIEURFNE-CQSZACIVSA-N 1 3 325.482 1.286 20 0 EDADHO COc1cccc([C@@H]2CNCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903783195 592321340 /nfs/dbraw/zinc/32/13/40/592321340.db2.gz WCZLIZYOFOMIDG-QYZOEREBSA-N 1 3 331.460 1.410 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](CNc3ccccn3)C2)cnn1C ZINC000903889641 592351319 /nfs/dbraw/zinc/35/13/19/592351319.db2.gz URYHKKGHJPOTSB-SJORKVTESA-N 1 3 342.491 1.675 20 0 EDADHO CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000903913518 592376433 /nfs/dbraw/zinc/37/64/33/592376433.db2.gz DNTBMPHZFXLMJE-JGGQBBKZSA-N 1 3 329.439 1.717 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+]CCc2cn3c(cccc3C)n2)cnn1C ZINC000903931190 592384045 /nfs/dbraw/zinc/38/40/45/592384045.db2.gz AOPCEXQDAKFAFR-INIZCTEOSA-N 1 3 340.475 1.634 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCCc2cn3c(cccc3C)n2)cnn1C ZINC000903931190 592384051 /nfs/dbraw/zinc/38/40/51/592384051.db2.gz AOPCEXQDAKFAFR-INIZCTEOSA-N 1 3 340.475 1.634 20 0 EDADHO C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000903937844 592387172 /nfs/dbraw/zinc/38/71/72/592387172.db2.gz SKPVQGLFULQLHB-WBVHZDCISA-N 1 3 341.463 1.308 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917530 592390814 /nfs/dbraw/zinc/39/08/14/592390814.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 1 3 330.480 1.237 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917530 592390818 /nfs/dbraw/zinc/39/08/18/592390818.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 1 3 330.480 1.237 20 0 EDADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC1(O)CCCC1 ZINC000905197027 592448400 /nfs/dbraw/zinc/44/84/00/592448400.db2.gz TVGIMKKWEUFFQL-SFHVURJKSA-N 1 3 333.476 1.944 20 0 EDADHO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000905294948 592487068 /nfs/dbraw/zinc/48/70/68/592487068.db2.gz MIDXTTHPFSKJAJ-IYBDPMFKSA-N 1 3 345.447 1.523 20 0 EDADHO COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000905294948 592487069 /nfs/dbraw/zinc/48/70/69/592487069.db2.gz MIDXTTHPFSKJAJ-IYBDPMFKSA-N 1 3 345.447 1.523 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538022 592529598 /nfs/dbraw/zinc/52/95/98/592529598.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538022 592529601 /nfs/dbraw/zinc/52/96/01/592529601.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503690 592546802 /nfs/dbraw/zinc/54/68/02/592546802.db2.gz SHQZUTKLPOATLW-JKEDJMADSA-N 1 3 342.524 1.479 20 0 EDADHO CN1CCC(NC(=S)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905660789 592600063 /nfs/dbraw/zinc/60/00/63/592600063.db2.gz MOVZCQHZTCOHQM-MRXNPFEDSA-N 1 3 335.521 1.633 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905907697 592676422 /nfs/dbraw/zinc/67/64/22/592676422.db2.gz MTBCFOYREXHQSX-RBUKOAKNSA-N 1 3 335.492 1.088 20 0 EDADHO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C12CCN(CC1)C2 ZINC000907877721 592826076 /nfs/dbraw/zinc/82/60/76/592826076.db2.gz MLBOWGWASVMLIS-HDICACEKSA-N 1 3 325.456 1.673 20 0 EDADHO O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C12CCN(CC1)C2 ZINC000907877721 592826079 /nfs/dbraw/zinc/82/60/79/592826079.db2.gz MLBOWGWASVMLIS-HDICACEKSA-N 1 3 325.456 1.673 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnn(C4CC4)c3N)CC2)CC1 ZINC000906464364 592828721 /nfs/dbraw/zinc/82/87/21/592828721.db2.gz ARGQPPPAHAYGIR-UHFFFAOYSA-N 1 3 346.479 1.089 20 0 EDADHO CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)N1CCCCC1 ZINC000910960872 592904502 /nfs/dbraw/zinc/90/45/02/592904502.db2.gz XGHYOWNUVMPFFB-HNNXBMFYSA-N 1 3 338.496 1.016 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634083 592970805 /nfs/dbraw/zinc/97/08/05/592970805.db2.gz ZGKZTTLDZHECHM-IEBWSBKVSA-N 1 3 333.476 1.690 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000911714097 592986350 /nfs/dbraw/zinc/98/63/50/592986350.db2.gz NTOQZGQAHJNHHY-NLZINVLXSA-N 1 3 331.460 1.899 20 0 EDADHO C[NH2+]C1CCN(C(=O)CCc2ccc(OCCN(C)C)cc2)CC1 ZINC000911787868 593008503 /nfs/dbraw/zinc/00/85/03/593008503.db2.gz XMBRLYMASWBJSS-UHFFFAOYSA-N 1 3 333.476 1.770 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C)CC1 ZINC000912489309 593098722 /nfs/dbraw/zinc/09/87/22/593098722.db2.gz IBNULQFPLAZJSG-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000803202767 593309271 /nfs/dbraw/zinc/30/92/71/593309271.db2.gz YYQAHKNPOKQKMX-OAHLLOKOSA-N 1 3 348.491 1.163 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000839602997 593348083 /nfs/dbraw/zinc/34/80/83/593348083.db2.gz WBEBARVZSKXTGE-VQTJNVASSA-N 1 3 347.503 1.935 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000809672052 593353941 /nfs/dbraw/zinc/35/39/41/593353941.db2.gz KBPMKPOKQJALAC-IKGGRYGDSA-N 1 3 328.412 1.891 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000809672052 593353942 /nfs/dbraw/zinc/35/39/42/593353942.db2.gz KBPMKPOKQJALAC-IKGGRYGDSA-N 1 3 328.412 1.891 20 0 EDADHO CCNc1nc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc(NC(C)(C)C)n1 ZINC000804397134 593411818 /nfs/dbraw/zinc/41/18/18/593411818.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 1 3 349.483 1.789 20 0 EDADHO CCNc1nc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc(NC(C)(C)C)n1 ZINC000804397134 593411819 /nfs/dbraw/zinc/41/18/19/593411819.db2.gz TZKOHYOZZQNEEF-STQMWFEESA-N 1 3 349.483 1.789 20 0 EDADHO Cn1c2ccc(C[NH2+]CCCCN3CCN(C)CC3)cc2oc1=O ZINC000816535336 593530501 /nfs/dbraw/zinc/53/05/01/593530501.db2.gz MFXBHAHJFZLQIY-UHFFFAOYSA-N 1 3 332.448 1.249 20 0 EDADHO CNS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000817948112 593650986 /nfs/dbraw/zinc/65/09/86/593650986.db2.gz VYMCKIDEMRBCNF-CQSZACIVSA-N 1 3 347.484 1.947 20 0 EDADHO CON(C)C(=O)CC[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000818986410 593732501 /nfs/dbraw/zinc/73/25/01/593732501.db2.gz NOJJHLSBYZQAMG-UHFFFAOYSA-N 1 3 325.478 1.960 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287957 593748530 /nfs/dbraw/zinc/74/85/30/593748530.db2.gz SPXUCOSGHAEORV-INIZCTEOSA-N 1 3 327.419 1.614 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000820828694 593899305 /nfs/dbraw/zinc/89/93/05/593899305.db2.gz AMKPGLQQWSXBOJ-MRXNPFEDSA-N 1 3 326.481 1.887 20 0 EDADHO C[C@@H]([NH2+]CCOc1ccc(-c2nnn[n-]2)cc1)C1CC[NH+](C)CC1 ZINC000824599281 594045698 /nfs/dbraw/zinc/04/56/98/594045698.db2.gz NQMZRCDKKFZIPI-CYBMUJFWSA-N 1 3 330.436 1.565 20 0 EDADHO C[C@@H]([NH2+]CCOc1ccc(-c2nn[n-]n2)cc1)C1CC[NH+](C)CC1 ZINC000824599281 594045700 /nfs/dbraw/zinc/04/57/00/594045700.db2.gz NQMZRCDKKFZIPI-CYBMUJFWSA-N 1 3 330.436 1.565 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691453 594057283 /nfs/dbraw/zinc/05/72/83/594057283.db2.gz DGKNZHLXBCRHTR-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951265 594127404 /nfs/dbraw/zinc/12/74/04/594127404.db2.gz ONRMJOKYTLMUOM-ZFWWWQNUSA-N 1 3 342.447 1.739 20 0 EDADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825576292 594202614 /nfs/dbraw/zinc/20/26/14/594202614.db2.gz DCYAAEYRPSIDFX-XJKSGUPXSA-N 1 3 332.452 1.874 20 0 EDADHO O=[S@@](CC[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000826868346 594591149 /nfs/dbraw/zinc/59/11/49/594591149.db2.gz RGXAEUZYMZIXLP-QFIPXVFZSA-N 1 3 335.395 1.951 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831756402 594700035 /nfs/dbraw/zinc/70/00/35/594700035.db2.gz HSHAZKCYCCVUDX-RTBURBONSA-N 1 3 347.503 1.982 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831756402 594700036 /nfs/dbraw/zinc/70/00/36/594700036.db2.gz HSHAZKCYCCVUDX-RTBURBONSA-N 1 3 347.503 1.982 20 0 EDADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1n[nH]c2c1CNCC2 ZINC000831786450 594703028 /nfs/dbraw/zinc/70/30/28/594703028.db2.gz DTJDWKUTXJCYJQ-UHFFFAOYSA-N 1 3 325.416 1.904 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018145 594839625 /nfs/dbraw/zinc/83/96/25/594839625.db2.gz PXLWLNDBTFDAIY-KRWDZBQOSA-N 1 3 333.480 1.933 20 0 EDADHO O=C(CNCC1CC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846357 594963746 /nfs/dbraw/zinc/96/37/46/594963746.db2.gz IOFIZGFVGPZKCX-MRXNPFEDSA-N 1 3 331.416 1.534 20 0 EDADHO COc1cc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)ccc1OCCN(C)C ZINC000843201743 595032286 /nfs/dbraw/zinc/03/22/86/595032286.db2.gz GKBVNEHWWOBHKK-BETUJISGSA-N 1 3 332.404 1.890 20 0 EDADHO CN(C)C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000843494214 595129799 /nfs/dbraw/zinc/12/97/99/595129799.db2.gz PVANZGGEPZGFJN-HZPDHXFCSA-N 1 3 339.867 1.828 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000844178203 595293394 /nfs/dbraw/zinc/29/33/94/595293394.db2.gz WJJLBYPRVBLAAT-OALUTQOASA-N 1 3 345.487 1.926 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)COC2CC[NH2+]CC2)cc1 ZINC000844183153 595294885 /nfs/dbraw/zinc/29/48/85/595294885.db2.gz UMKYCSXBCQUDFQ-UHFFFAOYSA-N 1 3 335.448 1.358 20 0 EDADHO O=C1O[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000844301425 595319545 /nfs/dbraw/zinc/31/95/45/595319545.db2.gz VMPCOHQEOYWUHR-KRWDZBQOSA-N 1 3 337.464 1.546 20 0 EDADHO CN(C)C[C@H]1CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809003 595319648 /nfs/dbraw/zinc/31/96/48/595319648.db2.gz OKQMTHARNHEDEK-PBHICJAKSA-N 1 3 327.469 1.242 20 0 EDADHO CN(C)C[C@H]1CC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809003 595319652 /nfs/dbraw/zinc/31/96/52/595319652.db2.gz OKQMTHARNHEDEK-PBHICJAKSA-N 1 3 327.469 1.242 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)C3CC3)CC2)CC1 ZINC000847585882 595452866 /nfs/dbraw/zinc/45/28/66/595452866.db2.gz VJGXDNGBYQAWHW-IBGZPJMESA-N 1 3 337.508 1.460 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=[NH2+])N2CCSCC2)cc1 ZINC000849069013 595477534 /nfs/dbraw/zinc/47/75/34/595477534.db2.gz ZKESIBMWMNTNRH-UHFFFAOYSA-N 1 3 336.505 1.743 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000849080135 595478989 /nfs/dbraw/zinc/47/89/89/595478989.db2.gz XCMLGPTVOVHCHM-UHFFFAOYSA-N 1 3 334.464 1.762 20 0 EDADHO [NH2+]=C(NCCc1cn[nH]c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849084404 595479573 /nfs/dbraw/zinc/47/95/73/595479573.db2.gz OXSANLNAXAKCOI-UHFFFAOYSA-N 1 3 326.448 1.731 20 0 EDADHO COc1ccc(OC)c(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)c1 ZINC000849108472 595482917 /nfs/dbraw/zinc/48/29/17/595482917.db2.gz USCCHNYXAWHPJN-UHFFFAOYSA-N 1 3 349.479 1.666 20 0 EDADHO O[C@H]1C[C@H](NC2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529496 595529428 /nfs/dbraw/zinc/52/94/28/595529428.db2.gz QRVWCCFMKWOXQB-PMACEKPBSA-N 1 3 345.487 1.551 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572596 595575586 /nfs/dbraw/zinc/57/55/86/595575586.db2.gz CFKOLTQIOKDGDR-IAGOWNOFSA-N 1 3 347.507 1.304 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585368 /nfs/dbraw/zinc/58/53/68/595585368.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 1 3 349.523 1.692 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585370 /nfs/dbraw/zinc/58/53/70/595585370.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587618 /nfs/dbraw/zinc/58/76/18/595587618.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587620 /nfs/dbraw/zinc/58/76/20/595587620.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 1 3 349.523 1.692 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602809 595589929 /nfs/dbraw/zinc/58/99/29/595589929.db2.gz QWCQGWJUOXYSRH-SJORKVTESA-N 1 3 347.507 1.446 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908446 595609819 /nfs/dbraw/zinc/60/98/19/595609819.db2.gz XQNYRKZZWZOJSB-MOPGFXCFSA-N 1 3 345.487 1.530 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853098104 595664276 /nfs/dbraw/zinc/66/42/76/595664276.db2.gz FRNRHVLGAYDIGS-LJQANCHMSA-N 1 3 329.444 1.888 20 0 EDADHO CN(C)Cc1ccc(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211815 596005324 /nfs/dbraw/zinc/00/53/24/596005324.db2.gz ALWJMXBADQIUON-KRWDZBQOSA-N 1 3 339.505 1.462 20 0 EDADHO CN(C)Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211815 596005326 /nfs/dbraw/zinc/00/53/26/596005326.db2.gz ALWJMXBADQIUON-KRWDZBQOSA-N 1 3 339.505 1.462 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000852064841 596030073 /nfs/dbraw/zinc/03/00/73/596030073.db2.gz RXAHTIHSKOJIBK-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C(C)C ZINC000852064841 596030078 /nfs/dbraw/zinc/03/00/78/596030078.db2.gz RXAHTIHSKOJIBK-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN(C)CCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857101544 596157920 /nfs/dbraw/zinc/15/79/20/596157920.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 1 3 333.476 1.804 20 0 EDADHO COCCN(C)CCNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857101544 596157922 /nfs/dbraw/zinc/15/79/22/596157922.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 1 3 333.476 1.804 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000866714378 596306283 /nfs/dbraw/zinc/30/62/83/596306283.db2.gz NMKLJZBWUKVALC-XYJFISCASA-N 1 3 343.427 1.031 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)nc1 ZINC000119283415 596508966 /nfs/dbraw/zinc/50/89/66/596508966.db2.gz ROCJJCLOLMIEQO-UHFFFAOYSA-N 1 3 341.887 1.412 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000869779321 596631462 /nfs/dbraw/zinc/63/14/62/596631462.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 1 3 337.508 1.745 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000869779321 596631465 /nfs/dbraw/zinc/63/14/65/596631465.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 1 3 337.508 1.745 20 0 EDADHO COc1ccc([O-])c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024335 596713818 /nfs/dbraw/zinc/71/38/18/596713818.db2.gz YZLHJZXXDIHAMJ-ZIAGYGMSSA-N 1 3 335.448 1.212 20 0 EDADHO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000872057768 596800247 /nfs/dbraw/zinc/80/02/47/596800247.db2.gz ICVPDYUYUWJNRL-BBWFWOEESA-N 1 3 327.513 1.874 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC2)CC1 ZINC000872292737 596870736 /nfs/dbraw/zinc/87/07/36/596870736.db2.gz PGFSZCVYDGPNBP-MSOLQXFVSA-N 1 3 336.524 1.380 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CCCCCC[NH3+])c1 ZINC000873110156 597199046 /nfs/dbraw/zinc/19/90/46/597199046.db2.gz LEQULDDGAFCRSD-UHFFFAOYSA-N 1 3 334.464 1.664 20 0 EDADHO c1c(C[N@H+](CCN2CCOCC2)CC2CC2)sc2c1CNCC2 ZINC000873212629 597229702 /nfs/dbraw/zinc/22/97/02/597229702.db2.gz QKKVMHFFNJPVOK-UHFFFAOYSA-N 1 3 335.517 1.938 20 0 EDADHO c1c(C[N@@H+](CCN2CCOCC2)CC2CC2)sc2c1CNCC2 ZINC000873212629 597229703 /nfs/dbraw/zinc/22/97/03/597229703.db2.gz QKKVMHFFNJPVOK-UHFFFAOYSA-N 1 3 335.517 1.938 20 0 EDADHO COCCC1([NH2+]Cc2ccc(OCC(=O)OC)cc2)CCNCC1 ZINC000873225358 597232545 /nfs/dbraw/zinc/23/25/45/597232545.db2.gz WRLCRSBRVTVWLR-UHFFFAOYSA-N 1 3 336.432 1.487 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226968 597234150 /nfs/dbraw/zinc/23/41/50/597234150.db2.gz FIVJRIONEOWQRQ-JXFKEZNVSA-N 1 3 327.472 1.774 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226968 597234152 /nfs/dbraw/zinc/23/41/52/597234152.db2.gz FIVJRIONEOWQRQ-JXFKEZNVSA-N 1 3 327.472 1.774 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876850133 597358918 /nfs/dbraw/zinc/35/89/18/597358918.db2.gz IQMNXHFNIRBDOG-FZMZJTMJSA-N 1 3 347.356 1.695 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc2c(c1)CNC2 ZINC000876867014 597362800 /nfs/dbraw/zinc/36/28/00/597362800.db2.gz OLRRGLSDXNKALR-MRXNPFEDSA-N 1 3 325.416 1.972 20 0 EDADHO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CNC[C@H]1CCCO1 ZINC000877030953 597417420 /nfs/dbraw/zinc/41/74/20/597417420.db2.gz OCTMSIYOQYBSKY-SZVBFZGTSA-N 1 3 343.471 1.898 20 0 EDADHO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CNC[C@H]1CCCO1 ZINC000877030953 597417422 /nfs/dbraw/zinc/41/74/22/597417422.db2.gz OCTMSIYOQYBSKY-SZVBFZGTSA-N 1 3 343.471 1.898 20 0 EDADHO CC[C@H](C(=O)NCc1cccc(-n2cc(CN)nn2)c1)[NH+](CC)CC ZINC000877207386 597462363 /nfs/dbraw/zinc/46/23/63/597462363.db2.gz UVTCRZSKKYGKMD-QGZVFWFLSA-N 1 3 344.463 1.463 20 0 EDADHO C[NH+]1CCC(CNC(=O)[C@H](N)CC(F)F)(c2ccccc2)CC1 ZINC000877223769 597466434 /nfs/dbraw/zinc/46/64/34/597466434.db2.gz AHXXVMUQBAGGJA-CQSZACIVSA-N 1 3 325.403 1.749 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000877284013 597486447 /nfs/dbraw/zinc/48/64/47/597486447.db2.gz RNWKYCMKOBBRNZ-MOPGFXCFSA-N 1 3 342.487 1.795 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877341172 597495923 /nfs/dbraw/zinc/49/59/23/597495923.db2.gz VBJVJOPXSWVWPR-MJGOQNOKSA-N 1 3 339.439 1.396 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000877357076 597500069 /nfs/dbraw/zinc/50/00/69/597500069.db2.gz QXYNNYRNZQHZLI-XBFCOCLRSA-N 1 3 327.350 1.469 20 0 EDADHO C[NH+]1CCC2(CCN(Cc3ccc(OCC(N)=O)cc3)CC2)CC1 ZINC000877684925 597547319 /nfs/dbraw/zinc/54/73/19/597547319.db2.gz DAFCKUWWWMBGRE-UHFFFAOYSA-N 1 3 331.460 1.859 20 0 EDADHO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000877727451 597551600 /nfs/dbraw/zinc/55/16/00/597551600.db2.gz VUFBUQNXERMTNX-NVXWUHKLSA-N 1 3 336.432 1.295 20 0 EDADHO Cn1cnc2cc(C[NH+]3CCC(N4CCN(C)CC4)CC3)ccc21 ZINC000877746260 597552682 /nfs/dbraw/zinc/55/26/82/597552682.db2.gz KAAGWAPPNCEUFL-UHFFFAOYSA-N 1 3 327.476 1.785 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000880663806 597990545 /nfs/dbraw/zinc/99/05/45/597990545.db2.gz FUSGGWZBURINJM-HOTGVXAUSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC000880663806 597990549 /nfs/dbraw/zinc/99/05/49/597990549.db2.gz FUSGGWZBURINJM-HOTGVXAUSA-N 1 3 327.513 1.970 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186043 598018239 /nfs/dbraw/zinc/01/82/39/598018239.db2.gz OPIJNPSBKVPGEF-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186043 598018240 /nfs/dbraw/zinc/01/82/40/598018240.db2.gz OPIJNPSBKVPGEF-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3C[C@@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365401 598082241 /nfs/dbraw/zinc/08/22/41/598082241.db2.gz INXIVAHXQLXKKX-CABCVRRESA-N 1 3 345.447 1.159 20 0 EDADHO CC(C)c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000130553622 598113423 /nfs/dbraw/zinc/11/34/23/598113423.db2.gz KOGZHTWYIXMHCA-UHFFFAOYSA-N 1 3 348.491 1.700 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000914150896 695162385 /nfs/dbraw/zinc/16/23/85/695162385.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000914150896 695162386 /nfs/dbraw/zinc/16/23/86/695162386.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCN1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243823 695303452 /nfs/dbraw/zinc/30/34/52/695303452.db2.gz UTABGROSJMLNEJ-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914335521 695360373 /nfs/dbraw/zinc/36/03/73/695360373.db2.gz OIOKRHSMNAAHOO-WBVHZDCISA-N 1 3 343.537 1.464 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992831150 695394390 /nfs/dbraw/zinc/39/43/90/695394390.db2.gz HWSCVOHOMYSEGJ-SZMVWBNQSA-N 1 3 339.443 1.764 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000914671158 695615025 /nfs/dbraw/zinc/61/50/25/695615025.db2.gz BNNXYEHQIXLFAD-IJLUTSLNSA-N 1 3 336.354 1.861 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000914671158 695615028 /nfs/dbraw/zinc/61/50/28/695615028.db2.gz BNNXYEHQIXLFAD-IJLUTSLNSA-N 1 3 336.354 1.861 20 0 EDADHO C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)C1 ZINC000915694425 695972270 /nfs/dbraw/zinc/97/22/70/695972270.db2.gz LEBPLXIHXQILJB-FUHWJXTLSA-N 1 3 337.508 1.414 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2sccc2CN(C)C)CCC[N@@H+]1CCO ZINC000993398793 696047438 /nfs/dbraw/zinc/04/74/38/696047438.db2.gz SNQSSUOVOFRGHC-GXTWGEPZSA-N 1 3 325.478 1.385 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2sccc2CN(C)C)CCC[N@H+]1CCO ZINC000993398793 696047439 /nfs/dbraw/zinc/04/74/39/696047439.db2.gz SNQSSUOVOFRGHC-GXTWGEPZSA-N 1 3 325.478 1.385 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916360504 696655305 /nfs/dbraw/zinc/65/53/05/696655305.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916360504 696655307 /nfs/dbraw/zinc/65/53/07/696655307.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000940008287 700109940 /nfs/dbraw/zinc/10/99/40/700109940.db2.gz HPNSMXSVTYHHIR-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000940008309 700109961 /nfs/dbraw/zinc/10/99/61/700109961.db2.gz IKAKKNJAPOLPSJ-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCO ZINC000994482945 696923398 /nfs/dbraw/zinc/92/33/98/696923398.db2.gz FUSDULCCQNPWCZ-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCO ZINC000994482945 696923400 /nfs/dbraw/zinc/92/34/00/696923400.db2.gz FUSDULCCQNPWCZ-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000917897846 697099647 /nfs/dbraw/zinc/09/96/47/697099647.db2.gz DNJORLPJZFIJNQ-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000917897846 697099650 /nfs/dbraw/zinc/09/96/50/697099650.db2.gz DNJORLPJZFIJNQ-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940115831 700231258 /nfs/dbraw/zinc/23/12/58/700231258.db2.gz YZDLOWDLJMVFEZ-KRWDZBQOSA-N 1 3 346.475 1.796 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1ccnn1C ZINC000939256682 699433617 /nfs/dbraw/zinc/43/36/17/699433617.db2.gz DOEMUUAAGWTNOC-YOEHRIQHSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cnn(C)c1 ZINC000939256864 699433931 /nfs/dbraw/zinc/43/39/31/699433931.db2.gz FTSNBPDRQNAVPX-PBHICJAKSA-N 1 3 333.480 1.089 20 0 EDADHO CC1(C)CO[C@H](CN2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001031813533 699502328 /nfs/dbraw/zinc/50/23/28/699502328.db2.gz XSIWEAPIXPQETD-INIZCTEOSA-N 1 3 335.492 1.478 20 0 EDADHO Cc1nc(C)c(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164525 701603474 /nfs/dbraw/zinc/60/34/74/701603474.db2.gz AKOACTMGBKVGFZ-JKSUJKDBSA-N 1 3 346.475 1.762 20 0 EDADHO CCn1ccnc1CNC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165411 701610761 /nfs/dbraw/zinc/61/07/61/701610761.db2.gz DQJIIKFDAJITGH-HOTGVXAUSA-N 1 3 345.491 1.373 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)CCC1 ZINC000940148628 700281355 /nfs/dbraw/zinc/28/13/55/700281355.db2.gz BMMJZCJZDWCYHJ-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000940149667 700282704 /nfs/dbraw/zinc/28/27/04/700282704.db2.gz NSLZWCNZSPHXFR-MRXNPFEDSA-N 1 3 334.464 1.794 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426734 700620741 /nfs/dbraw/zinc/62/07/41/700620741.db2.gz ZPYQXCVAEMRXGY-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426734 700620743 /nfs/dbraw/zinc/62/07/43/700620743.db2.gz ZPYQXCVAEMRXGY-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CC1(NCc2nccs2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427205 700621148 /nfs/dbraw/zinc/62/11/48/700621148.db2.gz CKYMXFLILYWUAI-UHFFFAOYSA-N 1 3 334.489 1.710 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940472782 700658203 /nfs/dbraw/zinc/65/82/03/700658203.db2.gz XQNSBZUEEGPGSO-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)N1CCCCC1 ZINC000940748067 700873951 /nfs/dbraw/zinc/87/39/51/700873951.db2.gz UTDCEPLDHWILPK-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)N1CCCCC1 ZINC000940748067 700873953 /nfs/dbraw/zinc/87/39/53/700873953.db2.gz UTDCEPLDHWILPK-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977071 /nfs/dbraw/zinc/97/70/71/700977071.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 1 3 335.492 1.475 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977072 /nfs/dbraw/zinc/97/70/72/700977072.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 1 3 335.492 1.475 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076286 701103974 /nfs/dbraw/zinc/10/39/74/701103974.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076286 701103975 /nfs/dbraw/zinc/10/39/75/701103975.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 1 3 339.524 1.848 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167551 706594625 /nfs/dbraw/zinc/59/46/25/706594625.db2.gz ASVFCIKUBREZKJ-MSOLQXFVSA-N 1 3 342.487 1.812 20 0 EDADHO Cc1cc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)ncn1 ZINC000941221647 701412600 /nfs/dbraw/zinc/41/26/00/701412600.db2.gz ZNLUHQQQNXBUDE-QGZVFWFLSA-N 1 3 345.491 1.598 20 0 EDADHO CC(C)CC[NH+]1CC(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000941436801 701540142 /nfs/dbraw/zinc/54/01/42/701540142.db2.gz GZILHYLPBYJSDA-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1NCCF ZINC000995891183 702233516 /nfs/dbraw/zinc/23/35/16/702233516.db2.gz CPNFTUQTHLVDMX-HOTGVXAUSA-N 1 3 341.471 1.426 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1NCCF ZINC000995891183 702233521 /nfs/dbraw/zinc/23/35/21/702233521.db2.gz CPNFTUQTHLVDMX-HOTGVXAUSA-N 1 3 341.471 1.426 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)N(C)C ZINC000995928380 702258107 /nfs/dbraw/zinc/25/81/07/702258107.db2.gz TXYAHFMQWCJZDJ-HOTGVXAUSA-N 1 3 335.496 1.296 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995912502 702270940 /nfs/dbraw/zinc/27/09/40/702270940.db2.gz FMEVQZPIZXXRLG-RDJZCZTQSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995912502 702270944 /nfs/dbraw/zinc/27/09/44/702270944.db2.gz FMEVQZPIZXXRLG-RDJZCZTQSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302607 702694588 /nfs/dbraw/zinc/69/45/88/702694588.db2.gz XWQSVXVFUSTJJE-DOTOQJQBSA-N 1 3 337.508 1.581 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)N(C)C ZINC000996313552 702701783 /nfs/dbraw/zinc/70/17/83/702701783.db2.gz DVKGALYZFZDRMH-JKSUJKDBSA-N 1 3 335.496 1.129 20 0 EDADHO CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1NCCF ZINC000996501722 702840588 /nfs/dbraw/zinc/84/05/88/702840588.db2.gz MERPUQYZUGWYEB-INIZCTEOSA-N 1 3 325.472 1.905 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996662149 702959646 /nfs/dbraw/zinc/95/96/46/702959646.db2.gz PINMGCMARQHOCF-SFHVURJKSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996662149 702959648 /nfs/dbraw/zinc/95/96/48/702959648.db2.gz PINMGCMARQHOCF-SFHVURJKSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000996676367 702975614 /nfs/dbraw/zinc/97/56/14/702975614.db2.gz HGTLBRHIMPMXPV-KBXCAEBGSA-N 1 3 345.491 1.767 20 0 EDADHO COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996679873 702978524 /nfs/dbraw/zinc/97/85/24/702978524.db2.gz QZBXNFHFTIQTRL-QGZVFWFLSA-N 1 3 346.475 1.511 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996681304 702979762 /nfs/dbraw/zinc/97/97/62/702979762.db2.gz YZPCJZMFSLLVSN-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996681304 702979763 /nfs/dbraw/zinc/97/97/63/702979763.db2.gz YZPCJZMFSLLVSN-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO CCN1CC[NH+](C2CCC(NC(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000996789979 703082329 /nfs/dbraw/zinc/08/23/29/703082329.db2.gz TXMHOBBGKGPXND-WWDZGPRUSA-N 1 3 336.524 1.536 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000996999074 703255918 /nfs/dbraw/zinc/25/59/18/703255918.db2.gz LTYZAMLFPFLELB-CQSZACIVSA-N 1 3 331.464 1.350 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996867 703260286 /nfs/dbraw/zinc/26/02/86/703260286.db2.gz AGSAKRFILKEKQI-CQSZACIVSA-N 1 3 334.439 1.643 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000997007097 703264594 /nfs/dbraw/zinc/26/45/94/703264594.db2.gz OKLJJTWSJXXLPB-AWEZNQCLSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000997007097 703264595 /nfs/dbraw/zinc/26/45/95/703264595.db2.gz OKLJJTWSJXXLPB-AWEZNQCLSA-N 1 3 333.480 1.151 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008506 703266608 /nfs/dbraw/zinc/26/66/08/703266608.db2.gz MXOZRZGREDDAJR-KDOFPFPSSA-N 1 3 345.491 1.108 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008506 703266609 /nfs/dbraw/zinc/26/66/09/703266609.db2.gz MXOZRZGREDDAJR-KDOFPFPSSA-N 1 3 345.491 1.108 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC1 ZINC000997114437 703366920 /nfs/dbraw/zinc/36/69/20/703366920.db2.gz BYVMMLNJLIEWJR-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997185140 703473946 /nfs/dbraw/zinc/47/39/46/703473946.db2.gz QMKRCYZZQDRJHS-HNNXBMFYSA-N 1 3 348.491 1.968 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997185140 703473949 /nfs/dbraw/zinc/47/39/49/703473949.db2.gz QMKRCYZZQDRJHS-HNNXBMFYSA-N 1 3 348.491 1.968 20 0 EDADHO CN(C)c1ccncc1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997188903 703478987 /nfs/dbraw/zinc/47/89/87/703478987.db2.gz VIHHFPRFOUKANG-UHFFFAOYSA-N 1 3 340.431 1.332 20 0 EDADHO C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229222 703504892 /nfs/dbraw/zinc/50/48/92/703504892.db2.gz VAPPKROVWUIGJJ-JWPJJUSYSA-N 1 3 347.503 1.476 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000997306229 703565127 /nfs/dbraw/zinc/56/51/27/703565127.db2.gz APTHCKCMJGFQJM-UHFFFAOYSA-N 1 3 336.867 1.911 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366630 703600443 /nfs/dbraw/zinc/60/04/43/703600443.db2.gz IBNGLBSVLADHLV-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443769 703620605 /nfs/dbraw/zinc/62/06/05/703620605.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443769 703620606 /nfs/dbraw/zinc/62/06/06/703620606.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)s1 ZINC000997615778 703914753 /nfs/dbraw/zinc/91/47/53/703914753.db2.gz WWEALIKUZQMLSI-HNNXBMFYSA-N 1 3 336.505 1.874 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999301790 706804933 /nfs/dbraw/zinc/80/49/33/706804933.db2.gz CHFGPVRYQOFGMU-RDJZCZTQSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999301790 706804936 /nfs/dbraw/zinc/80/49/36/706804936.db2.gz CHFGPVRYQOFGMU-RDJZCZTQSA-N 1 3 333.480 1.375 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCN1C1CCOCC1)C1CC1 ZINC000922810250 704377645 /nfs/dbraw/zinc/37/76/45/704377645.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCN1C1CCOCC1)C1CC1 ZINC000922810250 704377646 /nfs/dbraw/zinc/37/76/46/704377646.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)C1CC1 ZINC000997831063 704751372 /nfs/dbraw/zinc/75/13/72/704751372.db2.gz POCXZNJQVITDAM-OAHLLOKOSA-N 1 3 337.493 1.207 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CCC1 ZINC000997831018 704751517 /nfs/dbraw/zinc/75/15/17/704751517.db2.gz OPVOZKLVAVJDRW-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080213 705305314 /nfs/dbraw/zinc/30/53/14/705305314.db2.gz YQBRDFZUBXQTDZ-WFASDCNBSA-N 1 3 337.493 1.064 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080213 705305315 /nfs/dbraw/zinc/30/53/15/705305315.db2.gz YQBRDFZUBXQTDZ-WFASDCNBSA-N 1 3 337.493 1.064 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083023 705310704 /nfs/dbraw/zinc/31/07/04/705310704.db2.gz SVQMVYJOZQADFF-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000998083905 705313780 /nfs/dbraw/zinc/31/37/80/705313780.db2.gz YKDDRYWYBMVOLA-HNNXBMFYSA-N 1 3 347.507 1.399 20 0 EDADHO COc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000998268396 705643792 /nfs/dbraw/zinc/64/37/92/705643792.db2.gz FQXJXGOPLMVVAC-UHFFFAOYSA-N 1 3 346.475 1.514 20 0 EDADHO CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)n1 ZINC000998548927 705984651 /nfs/dbraw/zinc/98/46/51/705984651.db2.gz IQAZQRWMKJRWOD-OFLPRAFFSA-N 1 3 346.475 1.654 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC000998549241 705985199 /nfs/dbraw/zinc/98/51/99/705985199.db2.gz KSHHSRQBOKOLSN-GPANFISMSA-N 1 3 332.448 1.263 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722085 706153822 /nfs/dbraw/zinc/15/38/22/706153822.db2.gz ODRONNFDSYLMEO-HUUCEWRRSA-N 1 3 336.867 1.910 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998724542 706156322 /nfs/dbraw/zinc/15/63/22/706156322.db2.gz UNKTWHXDBSBZCR-HZPDHXFCSA-N 1 3 332.448 1.265 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733854 706167454 /nfs/dbraw/zinc/16/74/54/706167454.db2.gz UQONELQCTRAWOA-IRXDYDNUSA-N 1 3 347.507 1.813 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3nccnc3C)C2)CC[N@@H+]1C ZINC000998792813 706239535 /nfs/dbraw/zinc/23/95/35/706239535.db2.gz BUFXXPHVRZRLGP-UNGSAITNSA-N 1 3 345.491 1.594 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3nccnc3C)C2)CC[N@H+]1C ZINC000998792813 706239539 /nfs/dbraw/zinc/23/95/39/706239539.db2.gz BUFXXPHVRZRLGP-UNGSAITNSA-N 1 3 345.491 1.594 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152790 706582041 /nfs/dbraw/zinc/58/20/41/706582041.db2.gz LZTVHQTWRFWMQO-INIZCTEOSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999374828 706869224 /nfs/dbraw/zinc/86/92/24/706869224.db2.gz SCBSYZQKSWEZNM-QZTJIDSGSA-N 1 3 330.476 1.811 20 0 EDADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999375952 706870047 /nfs/dbraw/zinc/87/00/47/706870047.db2.gz UABRAYYODGZVHF-RDJZCZTQSA-N 1 3 348.495 1.027 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)C1CCC1 ZINC000999379467 706873429 /nfs/dbraw/zinc/87/34/29/706873429.db2.gz RPPRPBILSXABLV-IEBWSBKVSA-N 1 3 345.487 1.785 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC000999407120 706916737 /nfs/dbraw/zinc/91/67/37/706916737.db2.gz DFVSSWIXICAIJK-KTAKPFMOSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)ncn1 ZINC000999407120 706916740 /nfs/dbraw/zinc/91/67/40/706916740.db2.gz DFVSSWIXICAIJK-KTAKPFMOSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707651 707298876 /nfs/dbraw/zinc/29/88/76/707298876.db2.gz JOUHLOHROOJKFP-UHFFFAOYSA-N 1 3 335.477 1.021 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCc2cccc(Cl)n2)C1 ZINC000999837770 707408833 /nfs/dbraw/zinc/40/88/33/707408833.db2.gz SCFPMFHHJBOHAC-GRTSSRMGSA-N 1 3 336.867 1.766 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cccc(Cl)n2)C1 ZINC000999837770 707408835 /nfs/dbraw/zinc/40/88/35/707408835.db2.gz SCFPMFHHJBOHAC-GRTSSRMGSA-N 1 3 336.867 1.766 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946808706 707507790 /nfs/dbraw/zinc/50/77/90/707507790.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 1 3 337.508 1.412 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946808706 707507792 /nfs/dbraw/zinc/50/77/92/707507792.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 1 3 337.508 1.412 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000999971549 707581721 /nfs/dbraw/zinc/58/17/21/707581721.db2.gz BPGYORNMLBPHSD-ZWKOTPCHSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000999971549 707581727 /nfs/dbraw/zinc/58/17/27/707581727.db2.gz BPGYORNMLBPHSD-ZWKOTPCHSA-N 1 3 347.507 1.623 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001033396884 707736448 /nfs/dbraw/zinc/73/64/48/707736448.db2.gz PTFUJFWEDSCIAW-IRXDYDNUSA-N 1 3 337.508 1.676 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008410 708082141 /nfs/dbraw/zinc/08/21/41/708082141.db2.gz PVDCRHJENMDALH-ROUUACIJSA-N 1 3 347.507 1.418 20 0 EDADHO Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033662169 708477294 /nfs/dbraw/zinc/47/72/94/708477294.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 1 3 336.505 1.478 20 0 EDADHO Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033662169 708477296 /nfs/dbraw/zinc/47/72/96/708477296.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 1 3 336.505 1.478 20 0 EDADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033941309 709147763 /nfs/dbraw/zinc/14/77/63/709147763.db2.gz PFYCDMZEEQWFPN-GOSISDBHSA-N 1 3 347.507 1.227 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212970 709564173 /nfs/dbraw/zinc/56/41/73/709564173.db2.gz SMYIGDSWPKTRRQ-QZTJIDSGSA-N 1 3 345.491 1.196 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397335 709938031 /nfs/dbraw/zinc/93/80/31/709938031.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 1 3 343.487 1.816 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397335 709938032 /nfs/dbraw/zinc/93/80/32/709938032.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 1 3 343.487 1.816 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034649483 710325850 /nfs/dbraw/zinc/32/58/50/710325850.db2.gz YGFZVFZCXOYCPS-BQFCYCMXSA-N 1 3 345.491 1.279 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001003493260 710375904 /nfs/dbraw/zinc/37/59/04/710375904.db2.gz UNTFVMLUFQKNBQ-RDJZCZTQSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001003493260 710375906 /nfs/dbraw/zinc/37/59/06/710375906.db2.gz UNTFVMLUFQKNBQ-RDJZCZTQSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630026 710459560 /nfs/dbraw/zinc/45/95/60/710459560.db2.gz HXYREEQDTJEPIN-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735708 710921966 /nfs/dbraw/zinc/92/19/66/710921966.db2.gz MKZOMXUMPBROPK-BZUAXINKSA-N 1 3 333.480 1.421 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738856 710932419 /nfs/dbraw/zinc/93/24/19/710932419.db2.gz WNRUJGBKCMWGLI-ANQUJSFKSA-N 1 3 333.480 1.135 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738856 710932424 /nfs/dbraw/zinc/93/24/24/710932424.db2.gz WNRUJGBKCMWGLI-ANQUJSFKSA-N 1 3 333.480 1.135 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1)C(N)=O ZINC001034748703 710955429 /nfs/dbraw/zinc/95/54/29/710955429.db2.gz BANFNWGRXRUYIB-QKPAOTATSA-N 1 3 338.496 1.142 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034775684 711049470 /nfs/dbraw/zinc/04/94/70/711049470.db2.gz GDUZTDVSIAXVGJ-BRWVUGGUSA-N 1 3 347.507 1.587 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034775684 711049473 /nfs/dbraw/zinc/04/94/73/711049473.db2.gz GDUZTDVSIAXVGJ-BRWVUGGUSA-N 1 3 347.507 1.587 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034775718 711049603 /nfs/dbraw/zinc/04/96/03/711049603.db2.gz HHJIDQNMANIZCR-BRWVUGGUSA-N 1 3 347.507 1.762 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034775718 711049606 /nfs/dbraw/zinc/04/96/06/711049606.db2.gz HHJIDQNMANIZCR-BRWVUGGUSA-N 1 3 347.507 1.762 20 0 EDADHO COc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC001034793156 711122053 /nfs/dbraw/zinc/12/20/53/711122053.db2.gz QPMOFICFROEZHL-MGPQQGTHSA-N 1 3 336.436 1.152 20 0 EDADHO COc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC001034793156 711122058 /nfs/dbraw/zinc/12/20/58/711122058.db2.gz QPMOFICFROEZHL-MGPQQGTHSA-N 1 3 336.436 1.152 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1ccccn1 ZINC001034942330 711395373 /nfs/dbraw/zinc/39/53/73/711395373.db2.gz UMZJONXFFYWVTE-MSOLQXFVSA-N 1 3 328.460 1.504 20 0 EDADHO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)ccn1 ZINC001034956638 711426702 /nfs/dbraw/zinc/42/67/02/711426702.db2.gz CTXVWZQHZWGRCW-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)C[C@H]1CSCCN1 ZINC000237186852 282111135 /nfs/dbraw/zinc/11/11/35/282111135.db2.gz POJCZUHQODTNRN-HNNXBMFYSA-N 1 3 337.489 1.338 20 0 EDADHO CC(C)N(CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000077323618 535036619 /nfs/dbraw/zinc/03/66/19/535036619.db2.gz JWVIIKKFDCIOAV-UHFFFAOYSA-N 1 3 325.497 1.865 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cnn(CC(F)(F)F)c2)CC1 ZINC000344635013 539813628 /nfs/dbraw/zinc/81/36/28/539813628.db2.gz DRROMMMVKHQBKS-UHFFFAOYSA-N 1 3 334.386 1.770 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000355955547 539961356 /nfs/dbraw/zinc/96/13/56/539961356.db2.gz OBQCQYVDKGOMTL-INIZCTEOSA-N 1 3 342.528 1.905 20 0 EDADHO CS(=O)(=O)N(CCN1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000563275589 306325914 /nfs/dbraw/zinc/32/59/14/306325914.db2.gz OSLURCNBUKZFIH-UHFFFAOYSA-N 1 3 339.505 1.509 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCO1 ZINC000563590397 306340319 /nfs/dbraw/zinc/34/03/19/306340319.db2.gz DOEBWCTUNOECLR-SJORKVTESA-N 1 3 332.448 1.020 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209341 306357060 /nfs/dbraw/zinc/35/70/60/306357060.db2.gz NRTQLBMDXICSEU-GMBSWORKSA-N 1 3 345.443 1.640 20 0 EDADHO Cc1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000565634368 306387964 /nfs/dbraw/zinc/38/79/64/306387964.db2.gz GPRHPJREBLGVAF-UHFFFAOYSA-N 1 3 334.512 1.741 20 0 EDADHO CCN(CC)CC[N@H+](CC(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414716887 304131954 /nfs/dbraw/zinc/13/19/54/304131954.db2.gz YTPRHUIDSKQFCK-QGZVFWFLSA-N 1 3 326.529 1.484 20 0 EDADHO CCN(CC)CC[N@@H+](CC(C)C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414716887 304131956 /nfs/dbraw/zinc/13/19/56/304131956.db2.gz YTPRHUIDSKQFCK-QGZVFWFLSA-N 1 3 326.529 1.484 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717743 304132147 /nfs/dbraw/zinc/13/21/47/304132147.db2.gz ZYCHRQDPBAGCLN-SFHVURJKSA-N 1 3 346.519 1.684 20 0 EDADHO COC(=O)CCn1nc(C)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000414773149 304139431 /nfs/dbraw/zinc/13/94/31/304139431.db2.gz WKWUFFGRSKIUKJ-IYBDPMFKSA-N 1 3 334.464 1.494 20 0 EDADHO O=C1CC[C@@H](NCc2cc(F)c(F)c(F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414996283 304149313 /nfs/dbraw/zinc/14/93/13/304149313.db2.gz XJUYTNCAGMQLAH-PBHICJAKSA-N 1 3 341.377 1.840 20 0 EDADHO c1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c2c(c1)OCCO2 ZINC000415125801 304162191 /nfs/dbraw/zinc/16/21/91/304162191.db2.gz FLGAZYABVZOBQR-CVEARBPZSA-N 1 3 330.428 1.658 20 0 EDADHO COc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(OC)c1 ZINC000415134248 304162589 /nfs/dbraw/zinc/16/25/89/304162589.db2.gz OGUASIRSACZEKJ-SJORKVTESA-N 1 3 332.444 1.904 20 0 EDADHO CCOCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195276039 139012091 /nfs/dbraw/zinc/01/20/91/139012091.db2.gz IWVDWIXISKVCTN-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146093 304164725 /nfs/dbraw/zinc/16/47/25/304164725.db2.gz GCBDSHBOJFPHBQ-CVEARBPZSA-N 1 3 330.432 1.169 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267766 306445130 /nfs/dbraw/zinc/44/51/30/306445130.db2.gz LKAQFRZULQBZSI-MDZRGWNJSA-N 1 3 335.492 1.510 20 0 EDADHO C[NH2+]C1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000237109933 139040964 /nfs/dbraw/zinc/04/09/64/139040964.db2.gz RXGMRPNNKBKPLF-UHFFFAOYSA-N 1 3 344.503 1.718 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237215307 139044647 /nfs/dbraw/zinc/04/46/47/139044647.db2.gz LLMQGKXLDOZOAB-IBGZPJMESA-N 1 3 330.476 1.050 20 0 EDADHO CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269440 139046179 /nfs/dbraw/zinc/04/61/79/139046179.db2.gz IHXNPCPVLXGADL-RTBURBONSA-N 1 3 345.487 1.878 20 0 EDADHO COC(=O)[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337485529 284364951 /nfs/dbraw/zinc/36/49/51/284364951.db2.gz YLYGGCFTMVBGTB-SJORKVTESA-N 1 3 325.497 1.534 20 0 EDADHO COC(=O)[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337485529 284364954 /nfs/dbraw/zinc/36/49/54/284364954.db2.gz YLYGGCFTMVBGTB-SJORKVTESA-N 1 3 325.497 1.534 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](C)NC[C@H]3C)CC2)c1 ZINC000237729134 139058971 /nfs/dbraw/zinc/05/89/71/139058971.db2.gz VJWLVLAMMOPUPD-ZWKOTPCHSA-N 1 3 344.503 1.716 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246959792 139128496 /nfs/dbraw/zinc/12/84/96/139128496.db2.gz HZDRUSHFRAJKFR-GOEBONIOSA-N 1 3 334.464 1.434 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246959792 139128497 /nfs/dbraw/zinc/12/84/97/139128497.db2.gz HZDRUSHFRAJKFR-GOEBONIOSA-N 1 3 334.464 1.434 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246962821 139128831 /nfs/dbraw/zinc/12/88/31/139128831.db2.gz IEDJNPWTPLNFOD-ZBFHGGJFSA-N 1 3 332.448 1.331 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000246962821 139128832 /nfs/dbraw/zinc/12/88/32/139128832.db2.gz IEDJNPWTPLNFOD-ZBFHGGJFSA-N 1 3 332.448 1.331 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000639876336 452213917 /nfs/dbraw/zinc/21/39/17/452213917.db2.gz DIWWAXAXYDHJFQ-IAGOWNOFSA-N 1 3 325.497 1.017 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000639876336 452213921 /nfs/dbraw/zinc/21/39/21/452213921.db2.gz DIWWAXAXYDHJFQ-IAGOWNOFSA-N 1 3 325.497 1.017 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCOCC1 ZINC000261698968 139218625 /nfs/dbraw/zinc/21/86/25/139218625.db2.gz IADOYURCKITIFW-GDBMZVCRSA-N 1 3 337.489 1.755 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)O1 ZINC000261796687 139226939 /nfs/dbraw/zinc/22/69/39/139226939.db2.gz GTDCAOZBYBGIKH-SJORKVTESA-N 1 3 333.432 1.088 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCOCC1 ZINC000261774395 139224953 /nfs/dbraw/zinc/22/49/53/139224953.db2.gz MPTZPTVSBDLZRI-QZTJIDSGSA-N 1 3 331.460 1.694 20 0 EDADHO Cn1cc(-c2ccc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cn1 ZINC000261941867 139238918 /nfs/dbraw/zinc/23/89/18/139238918.db2.gz MVZZPZWJZGJMEA-CYBMUJFWSA-N 1 3 347.488 1.436 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415503635 304225352 /nfs/dbraw/zinc/22/53/52/304225352.db2.gz OUKDXGADGANDPC-INIZCTEOSA-N 1 3 334.464 1.519 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416789000 251110614 /nfs/dbraw/zinc/11/06/14/251110614.db2.gz CPNUQMPCGVQFLP-QZTJIDSGSA-N 1 3 342.487 1.902 20 0 EDADHO COCC1(CNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002641 251127380 /nfs/dbraw/zinc/12/73/80/251127380.db2.gz AUAACJOAUYQUKT-JKSUJKDBSA-N 1 3 340.512 1.422 20 0 EDADHO CC[C@H](CNC(=O)N1CCN[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417007177 251128118 /nfs/dbraw/zinc/12/81/18/251128118.db2.gz GVBOKAGKOXUKDK-MAUKXSAKSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@H](CNC(=O)N1CCN[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417007177 251128120 /nfs/dbraw/zinc/12/81/20/251128120.db2.gz GVBOKAGKOXUKDK-MAUKXSAKSA-N 1 3 330.476 1.827 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417014499 251132327 /nfs/dbraw/zinc/13/23/27/251132327.db2.gz DLJPEJJDDBFMEJ-MRXNPFEDSA-N 1 3 330.476 1.734 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000417000255 251125318 /nfs/dbraw/zinc/12/53/18/251125318.db2.gz YUAUOYFBMKSACS-INIZCTEOSA-N 1 3 347.507 1.218 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000417498693 251181520 /nfs/dbraw/zinc/18/15/20/251181520.db2.gz DITAAXZWQLGSBG-ROUUACIJSA-N 1 3 348.491 1.829 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494122 251179470 /nfs/dbraw/zinc/17/94/70/251179470.db2.gz OYIOWZUGQHBRBL-VYDXJSESSA-N 1 3 336.480 1.731 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417625495 251208171 /nfs/dbraw/zinc/20/81/71/251208171.db2.gz MOMKMPWMHOVYIL-CQSZACIVSA-N 1 3 328.526 1.775 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417687867 251229280 /nfs/dbraw/zinc/22/92/80/251229280.db2.gz IGHCHTWOUWUIHD-HNNXBMFYSA-N 1 3 334.464 1.175 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417847059 251295194 /nfs/dbraw/zinc/29/51/94/251295194.db2.gz YYQCTVYNXGIZGT-GDBMZVCRSA-N 1 3 342.447 1.022 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417800116 251274074 /nfs/dbraw/zinc/27/40/74/251274074.db2.gz BYKFADHDDPUECG-GDBMZVCRSA-N 1 3 326.485 1.316 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417861137 251301655 /nfs/dbraw/zinc/30/16/55/251301655.db2.gz ZZRMVIHDKHQNHJ-GOSISDBHSA-N 1 3 348.491 1.426 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418476973 251373710 /nfs/dbraw/zinc/37/37/10/251373710.db2.gz UHWSCBWRSYWSTB-BZUAXINKSA-N 1 3 340.512 1.502 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000418128741 251336999 /nfs/dbraw/zinc/33/69/99/251336999.db2.gz AWHBUYNLHZQJHV-XDNAFOTISA-N 1 3 328.460 1.414 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418196497 251354794 /nfs/dbraw/zinc/35/47/94/251354794.db2.gz RDLNTKCHZPCXGD-UHFFFAOYSA-N 1 3 347.463 1.131 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418714548 251392945 /nfs/dbraw/zinc/39/29/45/251392945.db2.gz YQTLOLWHPNWAGP-ZOBUZTSGSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418582775 251379515 /nfs/dbraw/zinc/37/95/15/251379515.db2.gz VUFVEXAOIJGBIG-WMLDXEAASA-N 1 3 336.455 1.897 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000418685762 251385892 /nfs/dbraw/zinc/38/58/92/251385892.db2.gz ZTJDYQWMWDJALD-KGLIPLIRSA-N 1 3 326.391 1.763 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CNCCC1(F)F)c1ccccc1 ZINC000418685761 251386678 /nfs/dbraw/zinc/38/66/78/251386678.db2.gz ZTJDYQWMWDJALD-KBPBESRZSA-N 1 3 326.391 1.763 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000262662807 139294166 /nfs/dbraw/zinc/29/41/66/139294166.db2.gz OIFAAZPUTKAMTI-SFHVURJKSA-N 1 3 332.492 1.529 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715750 139298408 /nfs/dbraw/zinc/29/84/08/139298408.db2.gz VJHOHRBHFRGQQL-DAYGRLMNSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@H]1NCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000262804171 139304766 /nfs/dbraw/zinc/30/47/66/139304766.db2.gz PPJOMOBAWGJDJF-SJORKVTESA-N 1 3 330.476 1.408 20 0 EDADHO CN(C)CCOc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897160 252014806 /nfs/dbraw/zinc/01/48/06/252014806.db2.gz JFNBAENDGCEGHG-VAMGGRTRSA-N 1 3 347.503 1.874 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422900022 252017123 /nfs/dbraw/zinc/01/71/23/252017123.db2.gz IQWJVOGPENFJTR-HOTGVXAUSA-N 1 3 325.478 1.484 20 0 EDADHO COc1ncc(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423155309 252040000 /nfs/dbraw/zinc/04/00/00/252040000.db2.gz IVTWENBMTDAUDJ-NWANDNLSSA-N 1 3 325.840 1.990 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000423777656 252070115 /nfs/dbraw/zinc/07/01/15/252070115.db2.gz RUAPTBRUXYAKFO-KFWWJZLASA-N 1 3 325.840 1.565 20 0 EDADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424144844 252143645 /nfs/dbraw/zinc/14/36/45/252143645.db2.gz MFQDOTHZWKZTMV-JKSUJKDBSA-N 1 3 346.479 1.197 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415606208 304237785 /nfs/dbraw/zinc/23/77/85/304237785.db2.gz RAVLJMQYCBDZRJ-LJQANCHMSA-N 1 3 344.459 1.207 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000424464578 252238778 /nfs/dbraw/zinc/23/87/78/252238778.db2.gz ITLLZMJPKGCHMN-BBRMVZONSA-N 1 3 332.448 1.333 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000424434839 252228426 /nfs/dbraw/zinc/22/84/26/252228426.db2.gz DRKOXKGOXDLLCU-AWEZNQCLSA-N 1 3 332.448 1.240 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834694 285023661 /nfs/dbraw/zinc/02/36/61/285023661.db2.gz JHIRJDVAQKZWIU-MRXNPFEDSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)N1CCCCC1 ZINC000114416099 220681704 /nfs/dbraw/zinc/68/17/04/220681704.db2.gz VTWDGAGEKAJSDE-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458338104 254909252 /nfs/dbraw/zinc/90/92/52/254909252.db2.gz BYOUZQRKXKAEHL-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)N1 ZINC000154083893 224200266 /nfs/dbraw/zinc/20/02/66/224200266.db2.gz RASMUYBRPGQQJZ-IAGOWNOFSA-N 1 3 330.476 1.408 20 0 EDADHO CC(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000154170656 224213687 /nfs/dbraw/zinc/21/36/87/224213687.db2.gz IXVZFYCXFMFSNR-CQSZACIVSA-N 1 3 330.494 1.534 20 0 EDADHO CC(C)[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CS1 ZINC000488420240 255043730 /nfs/dbraw/zinc/04/37/30/255043730.db2.gz QHMWNQNCYODISP-DLBZAZTESA-N 1 3 329.554 1.496 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000496174914 255361217 /nfs/dbraw/zinc/36/12/17/255361217.db2.gz QZCKBHNGTNBHBL-ARFHVFGLSA-N 1 3 341.496 1.867 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1CC1 ZINC000496174914 255361218 /nfs/dbraw/zinc/36/12/18/255361218.db2.gz QZCKBHNGTNBHBL-ARFHVFGLSA-N 1 3 341.496 1.867 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415797168 304273362 /nfs/dbraw/zinc/27/33/62/304273362.db2.gz YHTHQOOVGOBIOQ-ZIAGYGMSSA-N 1 3 332.448 1.463 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118095351 221114751 /nfs/dbraw/zinc/11/47/51/221114751.db2.gz XMCRPXZNKWYLGP-UHFFFAOYSA-N 1 3 348.491 1.925 20 0 EDADHO CN(C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000118094603 221115241 /nfs/dbraw/zinc/11/52/41/221115241.db2.gz JGWFRLSPNAGXJG-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO C[C@@H](NC1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132815393 533336252 /nfs/dbraw/zinc/33/62/52/533336252.db2.gz JHBHZBUWUZPPHH-CYBMUJFWSA-N 1 3 325.478 1.730 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)c1 ZINC000415928376 304285870 /nfs/dbraw/zinc/28/58/70/304285870.db2.gz FJLXGPUSDLHCTA-IRXDYDNUSA-N 1 3 334.464 1.979 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381206 533646878 /nfs/dbraw/zinc/64/68/78/533646878.db2.gz IAGROUHFJLQPFY-IRXDYDNUSA-N 1 3 335.517 1.748 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381206 533646883 /nfs/dbraw/zinc/64/68/83/533646883.db2.gz IAGROUHFJLQPFY-IRXDYDNUSA-N 1 3 335.517 1.748 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000269915843 140017817 /nfs/dbraw/zinc/01/78/17/140017817.db2.gz OVYCIPWRRFXOPZ-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO C[NH+](C)CCCCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271070294 140230517 /nfs/dbraw/zinc/23/05/17/140230517.db2.gz YABWJPJFAQDRQJ-UHFFFAOYSA-N 1 3 347.503 1.963 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NC[C@@H](O)C[NH+]1CCCC1 ZINC000274390148 140550676 /nfs/dbraw/zinc/55/06/76/140550676.db2.gz PAXDNCZIYRJFQH-HUUCEWRRSA-N 1 3 345.443 1.108 20 0 EDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000333281231 141292296 /nfs/dbraw/zinc/29/22/96/141292296.db2.gz MMHOXBJIFQGFQL-ZFWWWQNUSA-N 1 3 331.526 1.557 20 0 EDADHO [NH3+]C1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000333389588 141310210 /nfs/dbraw/zinc/31/02/10/141310210.db2.gz ONQWEWDDQAAVGS-UHFFFAOYSA-N 1 3 340.537 1.871 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000333570980 141338713 /nfs/dbraw/zinc/33/87/13/141338713.db2.gz MKZOKXMGPDOCDB-YOEHRIQHSA-N 1 3 331.464 1.677 20 0 EDADHO C[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333672673 141354122 /nfs/dbraw/zinc/35/41/22/141354122.db2.gz NKPIRGZKBRLSMR-NVXWUHKLSA-N 1 3 338.496 1.128 20 0 EDADHO C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701009 141361201 /nfs/dbraw/zinc/36/12/01/141361201.db2.gz QUYTXKNXMLGDET-ARFHVFGLSA-N 1 3 338.496 1.269 20 0 EDADHO CC1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC000333842911 141392430 /nfs/dbraw/zinc/39/24/30/141392430.db2.gz OPCBXDVMOCBBFL-UHFFFAOYSA-N 1 3 338.496 1.130 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569688 141835071 /nfs/dbraw/zinc/83/50/71/141835071.db2.gz LIOCZGYFGOGPJM-HZPDHXFCSA-N 1 3 325.497 1.534 20 0 EDADHO CCN1CCC(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000339668411 142113551 /nfs/dbraw/zinc/11/35/51/142113551.db2.gz HLFQMLGRSDGAFZ-UHFFFAOYSA-N 1 3 340.512 1.164 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339922448 142200858 /nfs/dbraw/zinc/20/08/58/142200858.db2.gz NFRXDTJPHCFBOC-UHFFFAOYSA-N 1 3 340.512 1.071 20 0 EDADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccco1 ZINC000345112337 143051889 /nfs/dbraw/zinc/05/18/89/143051889.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 1 3 334.464 1.980 20 0 EDADHO CN(CCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccco1 ZINC000345112337 143051890 /nfs/dbraw/zinc/05/18/90/143051890.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 1 3 334.464 1.980 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCC2CCOCC2)CC1 ZINC000345157173 143059027 /nfs/dbraw/zinc/05/90/27/143059027.db2.gz WMAOVYVZCVAVOW-UHFFFAOYSA-N 1 3 325.497 1.583 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000345328943 143078767 /nfs/dbraw/zinc/07/87/67/143078767.db2.gz UZNXNUPLXYHXDY-MJGOQNOKSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CCC[N@H+]1C ZINC000345328943 143078768 /nfs/dbraw/zinc/07/87/68/143078768.db2.gz UZNXNUPLXYHXDY-MJGOQNOKSA-N 1 3 344.503 1.798 20 0 EDADHO Cn1cc(CN2CCC(OCCC[NH3+])CC2)c(-c2ccncc2)n1 ZINC000346681088 143231069 /nfs/dbraw/zinc/23/10/69/143231069.db2.gz OFTVOUWMETUXKB-UHFFFAOYSA-N 1 3 329.448 1.812 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000347032254 143274259 /nfs/dbraw/zinc/27/42/59/143274259.db2.gz ZQRHIVQBDRUASK-OAHLLOKOSA-N 1 3 348.466 1.713 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000347648565 143345195 /nfs/dbraw/zinc/34/51/95/143345195.db2.gz PKYFGKQTEPKVBZ-HUUCEWRRSA-N 1 3 331.460 1.909 20 0 EDADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000348094812 143399929 /nfs/dbraw/zinc/39/99/29/143399929.db2.gz HNOYFRMBDDFLAJ-UHFFFAOYSA-N 1 3 338.448 1.734 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416842817 304351129 /nfs/dbraw/zinc/35/11/29/304351129.db2.gz KEEZEWNBBSYCKR-MAUKXSAKSA-N 1 3 348.491 1.987 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000352639966 149098089 /nfs/dbraw/zinc/09/80/89/149098089.db2.gz JXPMXKMHSBUNRY-MJGOQNOKSA-N 1 3 347.503 1.791 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000352639966 149098091 /nfs/dbraw/zinc/09/80/91/149098091.db2.gz JXPMXKMHSBUNRY-MJGOQNOKSA-N 1 3 347.503 1.791 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416963756 304356036 /nfs/dbraw/zinc/35/60/36/304356036.db2.gz BRXVVJADHPJUMK-YOEHRIQHSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930177 155241030 /nfs/dbraw/zinc/24/10/30/155241030.db2.gz XBXGJPNFGLOULT-IAGOWNOFSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930177 155241034 /nfs/dbraw/zinc/24/10/34/155241034.db2.gz XBXGJPNFGLOULT-IAGOWNOFSA-N 1 3 335.492 1.717 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000416971395 304357704 /nfs/dbraw/zinc/35/77/04/304357704.db2.gz GQUQCSNOKNRHED-INIZCTEOSA-N 1 3 327.517 1.027 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416972733 304358246 /nfs/dbraw/zinc/35/82/46/304358246.db2.gz STBMDBPIRLDBQB-MRXNPFEDSA-N 1 3 336.480 1.800 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416973923 304358623 /nfs/dbraw/zinc/35/86/23/304358623.db2.gz KEVOWACEVQAZTD-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000355351908 150228576 /nfs/dbraw/zinc/22/85/76/150228576.db2.gz UVYLKQHGOPRVPY-ROUUACIJSA-N 1 3 331.460 1.683 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357404876 151021294 /nfs/dbraw/zinc/02/12/94/151021294.db2.gz KYJYRPXKJLUOJV-SJORKVTESA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357404876 151021297 /nfs/dbraw/zinc/02/12/97/151021297.db2.gz KYJYRPXKJLUOJV-SJORKVTESA-N 1 3 337.508 1.963 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417073071 304369625 /nfs/dbraw/zinc/36/96/25/304369625.db2.gz HPWSJSDRAXVURQ-JZXOWHBKSA-N 1 3 328.460 1.799 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000417073071 304369627 /nfs/dbraw/zinc/36/96/27/304369627.db2.gz HPWSJSDRAXVURQ-JZXOWHBKSA-N 1 3 328.460 1.799 20 0 EDADHO CN1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000358254775 151318098 /nfs/dbraw/zinc/31/80/98/151318098.db2.gz QDJGWJCXJWLPKK-NXEWRWPSSA-N 1 3 329.488 1.838 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000358269065 151321503 /nfs/dbraw/zinc/32/15/03/151321503.db2.gz SSIFDBYLULNNCP-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000358269065 151321505 /nfs/dbraw/zinc/32/15/05/151321505.db2.gz SSIFDBYLULNNCP-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000358286871 151326459 /nfs/dbraw/zinc/32/64/59/151326459.db2.gz BQSQSHDBTVTHPT-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000358286871 151326462 /nfs/dbraw/zinc/32/64/62/151326462.db2.gz BQSQSHDBTVTHPT-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417091188 304371682 /nfs/dbraw/zinc/37/16/82/304371682.db2.gz JDPFKFUFHDBGHH-UHFFFAOYSA-N 1 3 326.485 1.130 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360376568 152011938 /nfs/dbraw/zinc/01/19/38/152011938.db2.gz JFFLJCIYFSXTKA-RDJZCZTQSA-N 1 3 342.553 1.987 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360376568 152011941 /nfs/dbraw/zinc/01/19/41/152011941.db2.gz JFFLJCIYFSXTKA-RDJZCZTQSA-N 1 3 342.553 1.987 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCOCC2)[C@H](C)C1 ZINC000361337851 152365706 /nfs/dbraw/zinc/36/57/06/152365706.db2.gz YXJANIBNSBCOHO-QZTJIDSGSA-N 1 3 327.513 1.435 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCOCC2)[C@H](C)C1 ZINC000361337851 152365707 /nfs/dbraw/zinc/36/57/07/152365707.db2.gz YXJANIBNSBCOHO-QZTJIDSGSA-N 1 3 327.513 1.435 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417182805 304381340 /nfs/dbraw/zinc/38/13/40/304381340.db2.gz JKHFTINXFUHDAP-ROUUACIJSA-N 1 3 332.492 1.976 20 0 EDADHO CN(C)CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000363857718 153076971 /nfs/dbraw/zinc/07/69/71/153076971.db2.gz ZZJWUSWKDKUNDW-RCCFBDPRSA-N 1 3 330.476 1.758 20 0 EDADHO CN(C)CCNC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000363857718 153076974 /nfs/dbraw/zinc/07/69/74/153076974.db2.gz ZZJWUSWKDKUNDW-RCCFBDPRSA-N 1 3 330.476 1.758 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367188178 154034414 /nfs/dbraw/zinc/03/44/14/154034414.db2.gz UHENNZOWOZJBLG-FCGDIQPGSA-N 1 3 343.471 1.502 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367188178 154034416 /nfs/dbraw/zinc/03/44/16/154034416.db2.gz UHENNZOWOZJBLG-FCGDIQPGSA-N 1 3 343.471 1.502 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367283617 154066177 /nfs/dbraw/zinc/06/61/77/154066177.db2.gz XPVIDUQGZAITRW-MRXNPFEDSA-N 1 3 345.443 1.452 20 0 EDADHO COC1(C[NH+]2CCC(CN3CCN(C)CC3)CC2)CCOCC1 ZINC000367692237 154232053 /nfs/dbraw/zinc/23/20/53/154232053.db2.gz YQXMMHZCXBJMGH-UHFFFAOYSA-N 1 3 325.497 1.141 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417357127 304394362 /nfs/dbraw/zinc/39/43/62/304394362.db2.gz GEGLYRAFNKKKHP-KRWDZBQOSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395573 155011623 /nfs/dbraw/zinc/01/16/23/155011623.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395573 155011625 /nfs/dbraw/zinc/01/16/25/155011625.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 1 3 338.496 1.269 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000575049098 306663255 /nfs/dbraw/zinc/66/32/55/306663255.db2.gz PRRYQJLVOBTMDL-UHFFFAOYSA-N 1 3 344.503 1.765 20 0 EDADHO COC(=O)[C@]1(C)C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000374326721 157245451 /nfs/dbraw/zinc/24/54/51/157245451.db2.gz PHSLGZACAGUWBI-SJLPKXTDSA-N 1 3 325.497 1.534 20 0 EDADHO COC(=O)[C@]1(C)C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000374326721 157245453 /nfs/dbraw/zinc/24/54/53/157245453.db2.gz PHSLGZACAGUWBI-SJLPKXTDSA-N 1 3 325.497 1.534 20 0 EDADHO C[N@H+](CCC(=O)N1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374776090 157397594 /nfs/dbraw/zinc/39/75/94/157397594.db2.gz FBSIDODUFBADSP-UHFFFAOYSA-N 1 3 346.475 1.479 20 0 EDADHO C[N@@H+](CCC(=O)N1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000374776090 157397596 /nfs/dbraw/zinc/39/75/96/157397596.db2.gz FBSIDODUFBADSP-UHFFFAOYSA-N 1 3 346.475 1.479 20 0 EDADHO COCC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000378212946 158112125 /nfs/dbraw/zinc/11/21/25/158112125.db2.gz XNLDTIRWYIXWQW-IBGZPJMESA-N 1 3 349.475 1.259 20 0 EDADHO CCCN(C(=O)NCc1ccnc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000417952947 304437529 /nfs/dbraw/zinc/43/75/29/304437529.db2.gz OYMSCJBHLBMZCA-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H](O)CC(C)(C)C)CC2)CC1 ZINC000365999788 162366665 /nfs/dbraw/zinc/36/66/65/162366665.db2.gz MIOPNXROVMGUKC-QGZVFWFLSA-N 1 3 339.524 1.848 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418182093 304460725 /nfs/dbraw/zinc/46/07/25/304460725.db2.gz MDCFEJBLXDJWNO-NVXWUHKLSA-N 1 3 336.480 1.521 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCSCC1 ZINC000073976173 287266768 /nfs/dbraw/zinc/26/67/68/287266768.db2.gz WXOJBXPMLIHDMN-MRXNPFEDSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCSCC1 ZINC000073976173 287266770 /nfs/dbraw/zinc/26/67/70/287266770.db2.gz WXOJBXPMLIHDMN-MRXNPFEDSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000418498958 304504032 /nfs/dbraw/zinc/50/40/32/304504032.db2.gz NHIKYZFHTUEHCU-CPUCHLNUSA-N 1 3 338.496 1.255 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000237052996 273007195 /nfs/dbraw/zinc/00/71/95/273007195.db2.gz HOMYMZKAAOJIHL-HOTGVXAUSA-N 1 3 325.497 1.772 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000237052996 273007197 /nfs/dbraw/zinc/00/71/97/273007197.db2.gz HOMYMZKAAOJIHL-HOTGVXAUSA-N 1 3 325.497 1.772 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000103213327 272918856 /nfs/dbraw/zinc/91/88/56/272918856.db2.gz AKYGPDHJFGWDLC-UHFFFAOYSA-N 1 3 340.537 1.935 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590252 274355131 /nfs/dbraw/zinc/35/51/31/274355131.db2.gz RVJCWPVCWSQHNO-WBVHZDCISA-N 1 3 341.459 1.640 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590252 274355132 /nfs/dbraw/zinc/35/51/32/274355132.db2.gz RVJCWPVCWSQHNO-WBVHZDCISA-N 1 3 341.459 1.640 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1ccccc1 ZINC000249416249 287799085 /nfs/dbraw/zinc/79/90/85/287799085.db2.gz ZJKDXNWGBYRJJY-BRWVUGGUSA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000364665810 275512636 /nfs/dbraw/zinc/51/26/36/275512636.db2.gz UBOOFSDXHHQGAQ-ZDUSSCGKSA-N 1 3 333.480 1.397 20 0 EDADHO CC(C)c1nnc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000367624197 276073569 /nfs/dbraw/zinc/07/35/69/276073569.db2.gz TZWLHEOVSGPKNW-MRXNPFEDSA-N 1 3 334.512 1.539 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458382308 276160620 /nfs/dbraw/zinc/16/06/20/276160620.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458382308 276160621 /nfs/dbraw/zinc/16/06/21/276160621.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000339581103 276326734 /nfs/dbraw/zinc/32/67/34/276326734.db2.gz KYWDIGKKJXDIKI-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO CN1CCN(CCCNC(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417026811 277105004 /nfs/dbraw/zinc/10/50/04/277105004.db2.gz SPJPWGJHRGDNPG-MSOLQXFVSA-N 1 3 345.491 1.108 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000367604404 277170875 /nfs/dbraw/zinc/17/08/75/277170875.db2.gz BKJOBTKLLRGFCC-SQNIBIBYSA-N 1 3 344.507 1.061 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000367604404 277170876 /nfs/dbraw/zinc/17/08/76/277170876.db2.gz BKJOBTKLLRGFCC-SQNIBIBYSA-N 1 3 344.507 1.061 20 0 EDADHO C[NH+](C)C[C@@H]1CN(CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000286532524 288028803 /nfs/dbraw/zinc/02/88/03/288028803.db2.gz SZPGJKKCFAWJFE-HXUWFJFHSA-N 1 3 346.519 1.461 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415421745 278246247 /nfs/dbraw/zinc/24/62/47/278246247.db2.gz VIRWBNWGSOBJKD-ZDUSSCGKSA-N 1 3 332.448 1.067 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000415421745 278246248 /nfs/dbraw/zinc/24/62/48/278246248.db2.gz VIRWBNWGSOBJKD-ZDUSSCGKSA-N 1 3 332.448 1.067 20 0 EDADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107506 288090188 /nfs/dbraw/zinc/09/01/88/288090188.db2.gz PYZXMBVVCORLOE-RDJZCZTQSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000360134294 279374927 /nfs/dbraw/zinc/37/49/27/279374927.db2.gz GCBQPPVUZKDUAF-INIZCTEOSA-N 1 3 335.496 1.884 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000360134294 279374930 /nfs/dbraw/zinc/37/49/30/279374930.db2.gz GCBQPPVUZKDUAF-INIZCTEOSA-N 1 3 335.496 1.884 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@@H](C)O1 ZINC000237400536 288156377 /nfs/dbraw/zinc/15/63/77/288156377.db2.gz HSPLCFHGTIPXGK-HZPDHXFCSA-N 1 3 337.508 1.996 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000659980108 452888646 /nfs/dbraw/zinc/88/86/46/452888646.db2.gz QPQXZASMVGOLQU-KZNAEPCWSA-N 1 3 327.513 1.528 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000287926673 288358463 /nfs/dbraw/zinc/35/84/63/288358463.db2.gz DJIGCSNPLMPXHE-ZDUSSCGKSA-N 1 3 342.434 1.988 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050451 289249233 /nfs/dbraw/zinc/24/92/33/289249233.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050451 289249234 /nfs/dbraw/zinc/24/92/34/289249234.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 1 3 344.503 1.433 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000183212064 289298116 /nfs/dbraw/zinc/29/81/16/289298116.db2.gz XYFBTPASLDVVAP-IAGOWNOFSA-N 1 3 339.528 1.138 20 0 EDADHO [NH3+]CC1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000333933705 295224301 /nfs/dbraw/zinc/22/43/01/295224301.db2.gz HXYHOUWSXHBIQI-UHFFFAOYSA-N 1 3 340.537 1.728 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418544157 304510677 /nfs/dbraw/zinc/51/06/77/304510677.db2.gz UFVZIPPMAMJCSX-UHFFFAOYSA-N 1 3 334.439 1.819 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418571961 304514067 /nfs/dbraw/zinc/51/40/67/304514067.db2.gz KCHMZUXLEGQNKE-CRAIPNDOSA-N 1 3 348.491 1.766 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419644496 304649419 /nfs/dbraw/zinc/64/94/19/304649419.db2.gz HJLUKJQSLYFGLZ-GOEBONIOSA-N 1 3 346.475 1.182 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000414750175 447321345 /nfs/dbraw/zinc/32/13/45/447321345.db2.gz KXWNAODAZFHDTP-HUUCEWRRSA-N 1 3 333.480 1.994 20 0 EDADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372861261 447321728 /nfs/dbraw/zinc/32/17/28/447321728.db2.gz XEQXOFBFPANPAQ-SFHVURJKSA-N 1 3 348.466 1.106 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000419656151 447325695 /nfs/dbraw/zinc/32/56/95/447325695.db2.gz IIRXHWVDISAQER-BFYDXBDKSA-N 1 3 346.475 1.009 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)c1 ZINC000414882926 447341656 /nfs/dbraw/zinc/34/16/56/447341656.db2.gz SNXBUMZHEKOPCN-INIZCTEOSA-N 1 3 332.448 1.191 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117160 304887332 /nfs/dbraw/zinc/88/73/32/304887332.db2.gz UCHOTDXBVNUKRG-HIFRSBDPSA-N 1 3 334.464 1.709 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(F)(F)C3)CC2)CC1 ZINC000428559023 305011825 /nfs/dbraw/zinc/01/18/25/305011825.db2.gz MRFBOPKXWDZIIZ-UHFFFAOYSA-N 1 3 330.423 1.642 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430569543 305056462 /nfs/dbraw/zinc/05/64/62/305056462.db2.gz LOSFJPKJMRDFCD-MRXNPFEDSA-N 1 3 343.493 1.279 20 0 EDADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430649436 305061107 /nfs/dbraw/zinc/06/11/07/305061107.db2.gz IMTSJBMHAJKEQK-QGZVFWFLSA-N 1 3 344.459 1.955 20 0 EDADHO NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000430649436 305061108 /nfs/dbraw/zinc/06/11/08/305061108.db2.gz IMTSJBMHAJKEQK-QGZVFWFLSA-N 1 3 344.459 1.955 20 0 EDADHO Cc1cc(NC(=O)CNC[C@@H]2CCCO2)n(C2CC[NH+](C)CC2)n1 ZINC000430816437 305065210 /nfs/dbraw/zinc/06/52/10/305065210.db2.gz MISCVXABKISRFC-HNNXBMFYSA-N 1 3 335.452 1.165 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000430879396 305066700 /nfs/dbraw/zinc/06/67/00/305066700.db2.gz NYRONWAMNSJOLA-HIFRSBDPSA-N 1 3 332.448 1.178 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913387 305067669 /nfs/dbraw/zinc/06/76/69/305067669.db2.gz USITYESXUARKNP-BZSNNMDCSA-N 1 3 333.476 1.940 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411719 305108460 /nfs/dbraw/zinc/10/84/60/305108460.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411719 305108461 /nfs/dbraw/zinc/10/84/61/305108461.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 1 3 326.485 1.269 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCCN2C2CC2)ccn1 ZINC000434446980 305122758 /nfs/dbraw/zinc/12/27/58/305122758.db2.gz SFNQHYQVHXKHEM-KRWDZBQOSA-N 1 3 346.475 1.769 20 0 EDADHO CCCN(C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435576932 305142859 /nfs/dbraw/zinc/14/28/59/305142859.db2.gz XSDIHLYSQUBHQT-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760895 305229767 /nfs/dbraw/zinc/22/97/67/305229767.db2.gz AUKHAPKLFLAJHE-GJZGRUSLSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760895 305229768 /nfs/dbraw/zinc/22/97/68/305229768.db2.gz AUKHAPKLFLAJHE-GJZGRUSLSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760895 305229769 /nfs/dbraw/zinc/22/97/69/305229769.db2.gz AUKHAPKLFLAJHE-GJZGRUSLSA-N 1 3 344.459 1.811 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449349920 305312286 /nfs/dbraw/zinc/31/22/86/305312286.db2.gz SBUKNYUTTJFENI-HOCLYGCPSA-N 1 3 325.497 1.900 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414908635 447353907 /nfs/dbraw/zinc/35/39/07/447353907.db2.gz QKSPYVLKFRBBIX-AWEZNQCLSA-N 1 3 332.448 1.145 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414908635 447353913 /nfs/dbraw/zinc/35/39/13/447353913.db2.gz QKSPYVLKFRBBIX-AWEZNQCLSA-N 1 3 332.448 1.145 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000458416227 447355384 /nfs/dbraw/zinc/35/53/84/447355384.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000458416227 447355388 /nfs/dbraw/zinc/35/53/88/447355388.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 1 3 338.496 1.149 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414922030 447357755 /nfs/dbraw/zinc/35/77/55/447357755.db2.gz GCDWOZOGYGKKDM-CZUORRHYSA-N 1 3 332.448 1.588 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(F)c(F)c1 ZINC000526046646 305833151 /nfs/dbraw/zinc/83/31/51/305833151.db2.gz MUFHWXRYRGJZSG-UHFFFAOYSA-N 1 3 342.434 1.642 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000422133155 447364481 /nfs/dbraw/zinc/36/44/81/447364481.db2.gz KWJPEFWBTNQDFI-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@H]1N1CCN(C)CC1 ZINC000535013495 306010556 /nfs/dbraw/zinc/01/05/56/306010556.db2.gz WXVXURWHYQLLFH-KZNAEPCWSA-N 1 3 325.497 1.140 20 0 EDADHO C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@H]1N1CCN(C)CC1 ZINC000535013495 306010557 /nfs/dbraw/zinc/01/05/57/306010557.db2.gz WXVXURWHYQLLFH-KZNAEPCWSA-N 1 3 325.497 1.140 20 0 EDADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538650238 306031311 /nfs/dbraw/zinc/03/13/11/306031311.db2.gz PKSZVMZVWGXPBA-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538650238 306031312 /nfs/dbraw/zinc/03/13/12/306031312.db2.gz PKSZVMZVWGXPBA-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)C1(C(=O)OC)CCC1 ZINC000541849769 306047935 /nfs/dbraw/zinc/04/79/35/306047935.db2.gz WSLNLZGCEIKIDE-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000543708863 306067432 /nfs/dbraw/zinc/06/74/32/306067432.db2.gz PAIDBVQQSJHFKL-AWEZNQCLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@@H+]1C ZINC000548102791 306119941 /nfs/dbraw/zinc/11/99/41/306119941.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@H+]1C ZINC000548102791 306119942 /nfs/dbraw/zinc/11/99/42/306119942.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2c(F)cccc2c1 ZINC000550721228 306153925 /nfs/dbraw/zinc/15/39/25/306153925.db2.gz KQJLNPIFLIBPNZ-UHFFFAOYSA-N 1 3 332.423 1.939 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000556850433 306220110 /nfs/dbraw/zinc/22/01/10/306220110.db2.gz ALSXPVRXZRFXRM-FQEVSTJZSA-N 1 3 345.487 1.715 20 0 EDADHO CC(C)C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)NCCN(C)C ZINC000449208343 447370321 /nfs/dbraw/zinc/37/03/21/447370321.db2.gz SHDRKGJZWWVQSI-HOTGVXAUSA-N 1 3 325.497 1.770 20 0 EDADHO CC[C@@H]([NH3+])CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414980540 447383816 /nfs/dbraw/zinc/38/38/16/447383816.db2.gz AJRDMXHMJPXTSS-CQSZACIVSA-N 1 3 325.478 1.475 20 0 EDADHO CN1CCNC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414980750 447382809 /nfs/dbraw/zinc/38/28/09/447382809.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 1 3 328.504 1.675 20 0 EDADHO CN1CCNC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414980750 447382814 /nfs/dbraw/zinc/38/28/14/447382814.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 1 3 328.504 1.675 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449708781 447389026 /nfs/dbraw/zinc/38/90/26/447389026.db2.gz WNMSARQHHBHFIM-SFHVURJKSA-N 1 3 344.503 1.946 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415421004 447418943 /nfs/dbraw/zinc/41/89/43/447418943.db2.gz UMBQYASDUTYHTJ-LSDHHAIUSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415421004 447418949 /nfs/dbraw/zinc/41/89/49/447418949.db2.gz UMBQYASDUTYHTJ-LSDHHAIUSA-N 1 3 346.475 1.663 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CCCC2)CCCCC1 ZINC000419808997 447426219 /nfs/dbraw/zinc/42/62/19/447426219.db2.gz HABHTYKPSGZJLD-HNNXBMFYSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105113796 441234376 /nfs/dbraw/zinc/23/43/76/441234376.db2.gz CQUINMHKTDDANG-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000072996474 441284165 /nfs/dbraw/zinc/28/41/65/441284165.db2.gz OIMXMWLFUAJRBA-IBGZPJMESA-N 1 3 344.503 1.655 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063744205 441348800 /nfs/dbraw/zinc/34/88/00/441348800.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 1 3 347.503 1.983 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063744205 441348803 /nfs/dbraw/zinc/34/88/03/441348803.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 1 3 347.503 1.983 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000074498941 441440802 /nfs/dbraw/zinc/44/08/02/441440802.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000074498941 441440806 /nfs/dbraw/zinc/44/08/06/441440806.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)CC1 ZINC000173966195 441871396 /nfs/dbraw/zinc/87/13/96/441871396.db2.gz IFAYJPMJAMFWOL-UHFFFAOYSA-N 1 3 344.503 1.392 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2ccccc2n1 ZINC000077830293 441873391 /nfs/dbraw/zinc/87/33/91/441873391.db2.gz HHICGZHJXBYXKP-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000174408621 441922428 /nfs/dbraw/zinc/92/24/28/441922428.db2.gz VRXZCJBCFSUQCZ-UHFFFAOYSA-N 1 3 331.460 1.781 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175608085 442092584 /nfs/dbraw/zinc/09/25/84/442092584.db2.gz HPDWFZAQVSJQPT-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCNC(C)(C)C3)cc2)CC1 ZINC000175443325 442065038 /nfs/dbraw/zinc/06/50/38/442065038.db2.gz ZDBYRUGNIWALMA-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000152890885 442250270 /nfs/dbraw/zinc/25/02/70/442250270.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000152890885 442250272 /nfs/dbraw/zinc/25/02/72/442250272.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CN(CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000152420552 442211025 /nfs/dbraw/zinc/21/10/25/442211025.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 1 3 338.477 1.449 20 0 EDADHO CN(CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152420552 442211027 /nfs/dbraw/zinc/21/10/27/442211027.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 1 3 338.477 1.449 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189349 442325156 /nfs/dbraw/zinc/32/51/56/442325156.db2.gz JWFBKTNZDMQMBU-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000171199391 442326334 /nfs/dbraw/zinc/32/63/34/442326334.db2.gz AUJOWSDFNFRCMH-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H](Cc1ccccc1F)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153992918 442315408 /nfs/dbraw/zinc/31/54/08/442315408.db2.gz WTWKCBAEQNPEIW-OAHLLOKOSA-N 1 3 338.471 1.892 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CC(F)F)n1 ZINC000132722620 442399112 /nfs/dbraw/zinc/39/91/12/442399112.db2.gz MTUYZLGFEHICQR-UHFFFAOYSA-N 1 3 332.399 1.105 20 0 EDADHO Cn1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000179892543 442516393 /nfs/dbraw/zinc/51/63/93/442516393.db2.gz KHQWAQGJTFMYAI-UHFFFAOYSA-N 1 3 349.523 1.607 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@](C)(N)c2ccccc2)CC1 ZINC000192522753 442657096 /nfs/dbraw/zinc/65/70/96/442657096.db2.gz OYXVPDBNLUGHCV-LJQANCHMSA-N 1 3 332.492 1.250 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@](C)(N)c2ccccc2)CC1 ZINC000192522753 442657099 /nfs/dbraw/zinc/65/70/99/442657099.db2.gz OYXVPDBNLUGHCV-LJQANCHMSA-N 1 3 332.492 1.250 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000187345124 442671176 /nfs/dbraw/zinc/67/11/76/442671176.db2.gz KCKUNUDKWVYTIJ-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2c1CNCC2)c1ccccc1 ZINC000188181633 442721297 /nfs/dbraw/zinc/72/12/97/442721297.db2.gz OMMIKSURQGTUPP-QGZVFWFLSA-N 1 3 341.459 1.868 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@@H](C)C1 ZINC000246395859 442779085 /nfs/dbraw/zinc/77/90/85/442779085.db2.gz JPEBXSWDIRIZDJ-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@@H](C)C1 ZINC000246395859 442779088 /nfs/dbraw/zinc/77/90/88/442779088.db2.gz JPEBXSWDIRIZDJ-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO CN1CCC(O)(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000266646011 443196253 /nfs/dbraw/zinc/19/62/53/443196253.db2.gz VEBCQWVRXOIOIR-UHFFFAOYSA-N 1 3 328.416 1.815 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)CNC2CC2)CCOCC1)c1ccccc1 ZINC000237525053 443175469 /nfs/dbraw/zinc/17/54/69/443175469.db2.gz BKGYBMDKFQUTIO-HNNXBMFYSA-N 1 3 331.460 1.755 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc2)CC1 ZINC000236894879 443150596 /nfs/dbraw/zinc/15/05/96/443150596.db2.gz WSVJOBVSEUWNLT-IBGZPJMESA-N 1 3 332.492 1.932 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000236951621 443153620 /nfs/dbraw/zinc/15/36/20/443153620.db2.gz BKIUGNPHUATQFD-VQIMIIECSA-N 1 3 344.503 1.263 20 0 EDADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194010 319318977 /nfs/dbraw/zinc/31/89/77/319318977.db2.gz UHIIBYUHJBVXFL-AKHDSKFASA-N 1 3 341.459 1.424 20 0 EDADHO O[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194010 319318979 /nfs/dbraw/zinc/31/89/79/319318979.db2.gz UHIIBYUHJBVXFL-AKHDSKFASA-N 1 3 341.459 1.424 20 0 EDADHO COc1ccc(Cl)cc1CN(C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683811 319341763 /nfs/dbraw/zinc/34/17/63/319341763.db2.gz UQNSTZZWWGMRAN-ZDUSSCGKSA-N 1 3 339.867 1.978 20 0 EDADHO COc1ccc(Cl)cc1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683811 319341766 /nfs/dbraw/zinc/34/17/66/319341766.db2.gz UQNSTZZWWGMRAN-ZDUSSCGKSA-N 1 3 339.867 1.978 20 0 EDADHO COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414683811 319341767 /nfs/dbraw/zinc/34/17/67/319341767.db2.gz UQNSTZZWWGMRAN-ZDUSSCGKSA-N 1 3 339.867 1.978 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N(C)C ZINC000414683364 319341840 /nfs/dbraw/zinc/34/18/40/319341840.db2.gz SXKQXODOVXIBJU-XJKSGUPXSA-N 1 3 334.464 1.737 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(OC3CCCCC3)CC2)C1 ZINC000414690769 319343164 /nfs/dbraw/zinc/34/31/64/319343164.db2.gz IJBKSKSZVRMHRI-MRXNPFEDSA-N 1 3 337.508 1.997 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1 ZINC000415219223 319352864 /nfs/dbraw/zinc/35/28/64/319352864.db2.gz MXZMTVUXRBBNFL-GRDNDAEWSA-N 1 3 344.459 1.730 20 0 EDADHO CN(C)[C@]1(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000416169822 319397169 /nfs/dbraw/zinc/39/71/69/319397169.db2.gz HGCRZUAUECSJHL-IBGZPJMESA-N 1 3 347.528 1.988 20 0 EDADHO CN(C)[C@]1(CNC(=O)CC[N@H+]2CCc3ccccc3C2)CCSC1 ZINC000416169822 319397170 /nfs/dbraw/zinc/39/71/70/319397170.db2.gz HGCRZUAUECSJHL-IBGZPJMESA-N 1 3 347.528 1.988 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)c1 ZINC000416852735 319467193 /nfs/dbraw/zinc/46/71/93/319467193.db2.gz MWSWSQLGSFVYIV-RHSMWYFYSA-N 1 3 334.464 1.869 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418586534 319506846 /nfs/dbraw/zinc/50/68/46/319506846.db2.gz FUGCRAIDDIMNTJ-MRXNPFEDSA-N 1 3 326.485 1.256 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264763495 443413279 /nfs/dbraw/zinc/41/32/79/443413279.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 1 3 328.460 1.751 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264763495 443413281 /nfs/dbraw/zinc/41/32/81/443413281.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 1 3 328.460 1.751 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000279021578 443493554 /nfs/dbraw/zinc/49/35/54/443493554.db2.gz ORBMBARAWZLBRE-MAUKXSAKSA-N 1 3 341.459 1.828 20 0 EDADHO C[NH+](C)CCN1CCC(CN[C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844178 443459809 /nfs/dbraw/zinc/45/98/09/443459809.db2.gz VAIRYHURDSGTSJ-GOSISDBHSA-N 1 3 342.491 1.757 20 0 EDADHO COc1cc([C@H](C)NCCN2CC[NH2+]CC2)ccc1OC(F)F ZINC000423199032 319756079 /nfs/dbraw/zinc/75/60/79/319756079.db2.gz AFQZHFIKYDZDNY-LBPRGKRZSA-N 1 3 329.391 1.852 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCc3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000272282525 443579561 /nfs/dbraw/zinc/57/95/61/443579561.db2.gz BVOQZKGQORUEEP-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO CNC(=O)c1cccc(CCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425904287 319875366 /nfs/dbraw/zinc/87/53/66/319875366.db2.gz YAVAGPBYHFZPLJ-UHFFFAOYSA-N 1 3 342.443 1.834 20 0 EDADHO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000442000760 320105051 /nfs/dbraw/zinc/10/50/51/320105051.db2.gz MRZRPLZBXVASDY-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000443691294 320109146 /nfs/dbraw/zinc/10/91/46/320109146.db2.gz RIJMODUJDAHMLO-YCPHGPKFSA-N 1 3 328.526 1.405 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000443691294 320109148 /nfs/dbraw/zinc/10/91/48/320109148.db2.gz RIJMODUJDAHMLO-YCPHGPKFSA-N 1 3 328.526 1.405 20 0 EDADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC000449058678 320176909 /nfs/dbraw/zinc/17/69/09/320176909.db2.gz LGDQLQWUIOYZJA-OAHLLOKOSA-N 1 3 339.505 1.221 20 0 EDADHO [NH3+]CC[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(F)(F)F ZINC000449723556 320202099 /nfs/dbraw/zinc/20/20/99/320202099.db2.gz FWLYMTPMTICTAJ-LBPRGKRZSA-N 1 3 337.386 1.417 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453638872 320265564 /nfs/dbraw/zinc/26/55/64/320265564.db2.gz DMYIVBWIZXOYHO-KRWDZBQOSA-N 1 3 346.475 1.632 20 0 EDADHO CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCC2 ZINC000459738441 320349226 /nfs/dbraw/zinc/34/92/26/320349226.db2.gz AHKXMHGXKVMCMU-RCCFBDPRSA-N 1 3 345.487 1.953 20 0 EDADHO [NH3+][C@H]1C[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000519161932 320463412 /nfs/dbraw/zinc/46/34/12/320463412.db2.gz SYDFBROMHMJWSM-OTVXOJSOSA-N 1 3 335.423 1.522 20 0 EDADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H](N4CCCC4)C3)cc2C1 ZINC000519631806 320469586 /nfs/dbraw/zinc/46/95/86/320469586.db2.gz GHLTWKQFCCPHBK-ZBFHGGJFSA-N 1 3 329.448 1.600 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000288111932 443774422 /nfs/dbraw/zinc/77/44/22/443774422.db2.gz VPBFKADTSFWHDG-JQHSSLGASA-N 1 3 348.491 1.119 20 0 EDADHO O=C(N[C@H](CO)CN1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000288394385 443867238 /nfs/dbraw/zinc/86/72/38/443867238.db2.gz FRIIFSZBJSCYIX-IBGZPJMESA-N 1 3 345.487 1.859 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000288742176 443969780 /nfs/dbraw/zinc/96/97/80/443969780.db2.gz MJKPQMJXMFRHQM-PVAVHDDUSA-N 1 3 347.459 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000288742176 443969781 /nfs/dbraw/zinc/96/97/81/443969781.db2.gz MJKPQMJXMFRHQM-PVAVHDDUSA-N 1 3 347.459 1.294 20 0 EDADHO CN(C)[C@]1(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCSC1 ZINC000561055447 321032039 /nfs/dbraw/zinc/03/20/39/321032039.db2.gz FSRLTSXUZXVPJS-DYVFJYSZSA-N 1 3 349.504 1.456 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000563379101 321106921 /nfs/dbraw/zinc/10/69/21/321106921.db2.gz VHLDXMUXNVWLKK-UHFFFAOYSA-N 1 3 336.524 1.204 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]1 ZINC000563406005 321109284 /nfs/dbraw/zinc/10/92/84/321109284.db2.gz ZNZBYCVXCCPYNM-SJLPKXTDSA-N 1 3 345.487 1.964 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000564942607 321158798 /nfs/dbraw/zinc/15/87/98/321158798.db2.gz YHQJCFFFKKVOLQ-INIZCTEOSA-N 1 3 330.436 1.050 20 0 EDADHO CN1CCN(CCCNC(=O)CC[NH2+]C2CC2)[C@@H](c2ccccc2)C1 ZINC000565435133 321186528 /nfs/dbraw/zinc/18/65/28/321186528.db2.gz YKUCWPGJLZWTRW-LJQANCHMSA-N 1 3 344.503 1.624 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000567690684 321252816 /nfs/dbraw/zinc/25/28/16/321252816.db2.gz HDRXOVDKFUQTDB-IBGZPJMESA-N 1 3 337.483 1.736 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCN1C ZINC000569320840 321323882 /nfs/dbraw/zinc/32/38/82/321323882.db2.gz HDWLBTTYQBFEOT-INIZCTEOSA-N 1 3 332.448 1.973 20 0 EDADHO CN(CCCN(C)CC(=O)N1CCc2ccccc2C1)CC[NH+](C)C ZINC000289422983 444139400 /nfs/dbraw/zinc/13/94/00/444139400.db2.gz MXGHKVFVOGMOOI-UHFFFAOYSA-N 1 3 346.519 1.387 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000289822600 444207652 /nfs/dbraw/zinc/20/76/52/444207652.db2.gz CYGXJKCRUSEXDY-MOPGFXCFSA-N 1 3 344.503 1.935 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758334 321593834 /nfs/dbraw/zinc/59/38/34/321593834.db2.gz NBWMZICYAZQQEL-HUUCEWRRSA-N 1 3 331.464 1.680 20 0 EDADHO C[C@H](O)[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000305672236 444271952 /nfs/dbraw/zinc/27/19/52/444271952.db2.gz XSWNEXXMQJOBCA-WNRNVDISSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@H](O)[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000305672236 444271955 /nfs/dbraw/zinc/27/19/55/444271955.db2.gz XSWNEXXMQJOBCA-WNRNVDISSA-N 1 3 328.497 1.189 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290100675 444242630 /nfs/dbraw/zinc/24/26/30/444242630.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 1 3 328.460 1.960 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290100675 444242631 /nfs/dbraw/zinc/24/26/31/444242631.db2.gz WVNUBNPVEKKUBO-HOCLYGCPSA-N 1 3 328.460 1.960 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000323320936 444342633 /nfs/dbraw/zinc/34/26/33/444342633.db2.gz TXQCZFGEUSXCMU-ATNYBXOESA-N 1 3 325.497 1.611 20 0 EDADHO CC[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCc2ccccc2C1 ZINC000337812841 444419766 /nfs/dbraw/zinc/41/97/66/444419766.db2.gz MJPHEMOISLMTMY-RTBURBONSA-N 1 3 345.487 1.693 20 0 EDADHO C[C@H]1C[C@H](N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329003095 444441353 /nfs/dbraw/zinc/44/13/53/444441353.db2.gz HJQQOHBONXLORR-XWESNNAXSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@H]1C[C@H](N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329003095 444441355 /nfs/dbraw/zinc/44/13/55/444441355.db2.gz HJQQOHBONXLORR-XWESNNAXSA-N 1 3 345.491 1.687 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580432716 322050237 /nfs/dbraw/zinc/05/02/37/322050237.db2.gz WGJSZAMLSAOJMJ-MSOLQXFVSA-N 1 3 331.460 1.717 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580832255 322101134 /nfs/dbraw/zinc/10/11/34/322101134.db2.gz USNFMBPOHSMZHV-LISAXSMJSA-N 1 3 328.460 1.642 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@H]21 ZINC000580908334 322111371 /nfs/dbraw/zinc/11/13/71/322111371.db2.gz IOONCURCKOEPJN-YESZJQIVSA-N 1 3 334.485 1.979 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122664 /nfs/dbraw/zinc/12/26/64/322122664.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 1 3 345.491 1.106 20 0 EDADHO CC(C)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)N1CCC(C)CC1 ZINC000343794995 444596106 /nfs/dbraw/zinc/59/61/06/444596106.db2.gz UTOOJZBYCFALLR-HQSKLWIPSA-N 1 3 349.519 1.674 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341207600 444729653 /nfs/dbraw/zinc/72/96/53/444729653.db2.gz UFGVUAUBBOXRBI-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000341209528 444730460 /nfs/dbraw/zinc/73/04/60/444730460.db2.gz GPQIFNPHVUNANW-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCC[C@H](C)C1 ZINC000334084167 444775335 /nfs/dbraw/zinc/77/53/35/444775335.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCC[C@H](C)C1 ZINC000334084167 444775341 /nfs/dbraw/zinc/77/53/41/444775341.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@@H+]1C ZINC000341367908 444798269 /nfs/dbraw/zinc/79/82/69/444798269.db2.gz GGNYPFFDNDGQHU-GDBMZVCRSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@H+]1C ZINC000341367908 444798272 /nfs/dbraw/zinc/79/82/72/444798272.db2.gz GGNYPFFDNDGQHU-GDBMZVCRSA-N 1 3 349.479 1.304 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CCN1CCO[C@@H](C)C1 ZINC000344141799 444803541 /nfs/dbraw/zinc/80/35/41/444803541.db2.gz ANIVFKGTPGSWEH-SFHVURJKSA-N 1 3 326.529 1.057 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCN1CCO[C@@H](C)C1 ZINC000344141799 444803545 /nfs/dbraw/zinc/80/35/45/444803545.db2.gz ANIVFKGTPGSWEH-SFHVURJKSA-N 1 3 326.529 1.057 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342764510 444855127 /nfs/dbraw/zinc/85/51/27/444855127.db2.gz IONNNQBQHAIRRL-KGLIPLIRSA-N 1 3 327.469 1.284 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342764510 444855133 /nfs/dbraw/zinc/85/51/33/444855133.db2.gz IONNNQBQHAIRRL-KGLIPLIRSA-N 1 3 327.469 1.284 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993291 /nfs/dbraw/zinc/99/32/91/444993291.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 1 3 344.503 1.960 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993294 /nfs/dbraw/zinc/99/32/94/444993294.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 1 3 344.503 1.960 20 0 EDADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000337273109 445011130 /nfs/dbraw/zinc/01/11/30/445011130.db2.gz OWUBNDSXIRWHCS-UHFFFAOYSA-N 1 3 332.448 1.532 20 0 EDADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000337273109 445011134 /nfs/dbraw/zinc/01/11/34/445011134.db2.gz OWUBNDSXIRWHCS-UHFFFAOYSA-N 1 3 332.448 1.532 20 0 EDADHO C[C@@H]1CN(C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061304 445014281 /nfs/dbraw/zinc/01/42/81/445014281.db2.gz HMUKWPXXGNMFPT-OXQOHEQNSA-N 1 3 349.494 1.829 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047135 /nfs/dbraw/zinc/04/71/35/445047135.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357923 445047136 /nfs/dbraw/zinc/04/71/36/445047136.db2.gz CYMLIDUADAGXMT-NZSAHSFTSA-N 1 3 332.492 1.727 20 0 EDADHO COCCN(C)CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339313738 445131827 /nfs/dbraw/zinc/13/18/27/445131827.db2.gz FBACFZLDKOYPOK-HOTGVXAUSA-N 1 3 328.501 1.232 20 0 EDADHO C[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000341986429 445108818 /nfs/dbraw/zinc/10/88/18/445108818.db2.gz UUMALLXBKZKUJK-ZFWWWQNUSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339497575 445146424 /nfs/dbraw/zinc/14/64/24/445146424.db2.gz HMPIBPJTYZIEOZ-UHFFFAOYSA-N 1 3 340.512 1.210 20 0 EDADHO CCN1C[C@H]([NH2+]Cc2ccc(N3CCN(CC)CC3)nc2)[C@@H](C)C1 ZINC000343564091 445244809 /nfs/dbraw/zinc/24/48/09/445244809.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3C[N@H+](CC)C[C@@H]3C)cn2)CC1 ZINC000343564091 445244810 /nfs/dbraw/zinc/24/48/10/445244810.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3C[N@@H+](CC)C[C@@H]3C)cn2)CC1 ZINC000343564091 445244811 /nfs/dbraw/zinc/24/48/11/445244811.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348126517 445282665 /nfs/dbraw/zinc/28/26/65/445282665.db2.gz JQTIZFSRUPGIAC-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348126517 445282667 /nfs/dbraw/zinc/28/26/67/445282667.db2.gz JQTIZFSRUPGIAC-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+](CCNC(=O)N[C@H](C)CCN1CCN(C)CC1)C(C)C ZINC000351734609 445298970 /nfs/dbraw/zinc/29/89/70/445298970.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 1 3 327.517 1.042 20 0 EDADHO CC[N@@H+](CCNC(=O)N[C@H](C)CCN1CCN(C)CC1)C(C)C ZINC000351734609 445298973 /nfs/dbraw/zinc/29/89/73/445298973.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 1 3 327.517 1.042 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C2CCOCC2)CC1 ZINC000348950429 445452311 /nfs/dbraw/zinc/45/23/11/445452311.db2.gz QCTHIPFAMUIWBB-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000362682812 445498404 /nfs/dbraw/zinc/49/84/04/445498404.db2.gz GUJACRVOSMLICB-HOCLYGCPSA-N 1 3 349.475 1.450 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000362682812 445498407 /nfs/dbraw/zinc/49/84/07/445498407.db2.gz GUJACRVOSMLICB-HOCLYGCPSA-N 1 3 349.475 1.450 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360124598 445580370 /nfs/dbraw/zinc/58/03/70/445580370.db2.gz LUMUXYHDPXSRCB-HOTGVXAUSA-N 1 3 328.501 1.107 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360124598 445580374 /nfs/dbraw/zinc/58/03/74/445580374.db2.gz LUMUXYHDPXSRCB-HOTGVXAUSA-N 1 3 328.501 1.107 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356217858 445681088 /nfs/dbraw/zinc/68/10/88/445681088.db2.gz DMILTYLKGKGVEK-IRXDYDNUSA-N 1 3 347.507 1.973 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356229476 445687190 /nfs/dbraw/zinc/68/71/90/445687190.db2.gz RGKUMMKEWXDTPP-HNNXBMFYSA-N 1 3 333.480 1.725 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356229476 445687193 /nfs/dbraw/zinc/68/71/93/445687193.db2.gz RGKUMMKEWXDTPP-HNNXBMFYSA-N 1 3 333.480 1.725 20 0 EDADHO C[C@H](CC1CCOCC1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353677743 445703560 /nfs/dbraw/zinc/70/35/60/445703560.db2.gz ZTBGRUNLLHYGDF-MRXNPFEDSA-N 1 3 325.497 1.773 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353696785 445713957 /nfs/dbraw/zinc/71/39/57/445713957.db2.gz OELACPMOHKHEDP-INIZCTEOSA-N 1 3 344.503 1.131 20 0 EDADHO C[C@H]1C[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000358694324 445721459 /nfs/dbraw/zinc/72/14/59/445721459.db2.gz QCKFNMJXRWGNRD-DLBZAZTESA-N 1 3 345.491 1.098 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695231 445722908 /nfs/dbraw/zinc/72/29/08/445722908.db2.gz OFJVDZGTFUGCKX-LSDHHAIUSA-N 1 3 340.537 1.549 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000361111023 445749774 /nfs/dbraw/zinc/74/97/74/445749774.db2.gz IPIMQIFIYLMDEH-ROUUACIJSA-N 1 3 346.523 1.309 20 0 EDADHO CC(C)N1CCC[C@H](N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477994 445820507 /nfs/dbraw/zinc/82/05/07/445820507.db2.gz FDPFFUCEDPMKKY-MSOLQXFVSA-N 1 3 336.524 1.486 20 0 EDADHO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)N1CCc2ccccc2C1 ZINC000356499061 445824760 /nfs/dbraw/zinc/82/47/60/445824760.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 1 3 346.519 1.433 20 0 EDADHO C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N1CCc2ccccc2C1 ZINC000356499061 445824763 /nfs/dbraw/zinc/82/47/63/445824763.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 1 3 346.519 1.433 20 0 EDADHO C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000356499061 445824766 /nfs/dbraw/zinc/82/47/66/445824766.db2.gz APCKGKGWWOQVSC-KRWDZBQOSA-N 1 3 346.519 1.433 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390713 445785399 /nfs/dbraw/zinc/78/53/99/445785399.db2.gz VNOMFKFEBSVVEK-LSDHHAIUSA-N 1 3 338.496 1.458 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000363437039 445801573 /nfs/dbraw/zinc/80/15/73/445801573.db2.gz NVKWXCYINOMKBZ-INIZCTEOSA-N 1 3 348.495 1.640 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN(C)CC[C@@H]2C)CC1 ZINC000356531509 445844988 /nfs/dbraw/zinc/84/49/88/445844988.db2.gz LVMQOSPUDXWOOE-INIZCTEOSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[C@H]1OCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000373004253 445968769 /nfs/dbraw/zinc/96/87/69/445968769.db2.gz BIIMRUARHSNHSA-ZWKOTPCHSA-N 1 3 337.508 1.722 20 0 EDADHO O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccnc1 ZINC000361826773 445984315 /nfs/dbraw/zinc/98/43/15/445984315.db2.gz CCEDOMUWPIRGTI-UHFFFAOYSA-N 1 3 346.475 1.987 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000361793340 445950957 /nfs/dbraw/zinc/95/09/57/445950957.db2.gz WZSNHIQSUNKMPQ-ZOBUZTSGSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@@H]1C ZINC000361793340 445950962 /nfs/dbraw/zinc/95/09/62/445950962.db2.gz WZSNHIQSUNKMPQ-ZOBUZTSGSA-N 1 3 342.553 1.938 20 0 EDADHO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000365097457 446022382 /nfs/dbraw/zinc/02/23/82/446022382.db2.gz ZBYCCEWRDHAERQ-AEFFLSMTSA-N 1 3 335.492 1.751 20 0 EDADHO CN(CCC(=O)Nc1cccnc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000361869188 446024382 /nfs/dbraw/zinc/02/43/82/446024382.db2.gz RWEWFFZDTLBGPH-UHFFFAOYSA-N 1 3 333.480 1.368 20 0 EDADHO CN(CCC(=O)Nc1cccnc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000361869188 446024388 /nfs/dbraw/zinc/02/43/88/446024388.db2.gz RWEWFFZDTLBGPH-UHFFFAOYSA-N 1 3 333.480 1.368 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569694 326097790 /nfs/dbraw/zinc/09/77/90/326097790.db2.gz JPEHJSMRRWNEFO-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CNCc2ccccc21 ZINC000583750895 326132902 /nfs/dbraw/zinc/13/29/02/326132902.db2.gz RZWHNMUJLBGYDO-BEFAXECRSA-N 1 3 343.471 1.491 20 0 EDADHO O=C(COC1CNC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584114274 326202846 /nfs/dbraw/zinc/20/28/46/326202846.db2.gz SWDFYHIKUZKKET-OAHLLOKOSA-N 1 3 335.473 1.207 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654415 446139575 /nfs/dbraw/zinc/13/95/75/446139575.db2.gz LIVCSTXTOOFYHB-ZBFHGGJFSA-N 1 3 348.495 2.000 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654415 446139579 /nfs/dbraw/zinc/13/95/79/446139579.db2.gz LIVCSTXTOOFYHB-ZBFHGGJFSA-N 1 3 348.495 2.000 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000351616602 446210911 /nfs/dbraw/zinc/21/09/11/446210911.db2.gz ULEURRHYBDTCQL-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CN1C1CC1 ZINC000370323250 446229930 /nfs/dbraw/zinc/22/99/30/446229930.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CN1C1CC1 ZINC000370323250 446229937 /nfs/dbraw/zinc/22/99/37/446229937.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 1 3 349.523 1.033 20 0 EDADHO CN1CC[C@@H](CNC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1cccnc1 ZINC000373546848 446256317 /nfs/dbraw/zinc/25/63/17/446256317.db2.gz QWAXHVRMGHCPNK-RDJZCZTQSA-N 1 3 331.464 1.468 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCNCC1 ZINC000417504314 446356555 /nfs/dbraw/zinc/35/65/55/446356555.db2.gz MYPALNMGRVNTEA-GOSISDBHSA-N 1 3 330.476 1.556 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCNCC1 ZINC000417504314 446356560 /nfs/dbraw/zinc/35/65/60/446356560.db2.gz MYPALNMGRVNTEA-GOSISDBHSA-N 1 3 330.476 1.556 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN[C@H](C)[C@H]2C)CC1 ZINC000417545793 446363969 /nfs/dbraw/zinc/36/39/69/446363969.db2.gz KOUUBWUWIYSGCY-ZIAGYGMSSA-N 1 3 326.485 1.268 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000417547674 446364289 /nfs/dbraw/zinc/36/42/89/446364289.db2.gz OYZUIIGCVDSVFA-HIFRSBDPSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@H](C[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417593421 446366321 /nfs/dbraw/zinc/36/63/21/446366321.db2.gz ZSEYFFKCTPPJKF-CQSZACIVSA-N 1 3 326.485 1.447 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCn1cc(Br)ccc1=O ZINC000423145685 446440689 /nfs/dbraw/zinc/44/06/89/446440689.db2.gz MABINAIDTGFATJ-AAEUAGOBSA-N 1 3 328.254 1.718 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423145685 446440691 /nfs/dbraw/zinc/44/06/91/446440691.db2.gz MABINAIDTGFATJ-AAEUAGOBSA-N 1 3 328.254 1.718 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418101693 446440777 /nfs/dbraw/zinc/44/07/77/446440777.db2.gz GHTNXQGLYXYOBK-OTWHNJEPSA-N 1 3 342.487 1.759 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418011615 446415080 /nfs/dbraw/zinc/41/50/80/446415080.db2.gz LBZHBRLEWYQKGY-KPFFTGBYSA-N 1 3 342.487 1.902 20 0 EDADHO CSC1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CCN(C)CC1 ZINC000418203923 446456784 /nfs/dbraw/zinc/45/67/84/446456784.db2.gz WSTOHXZGGBPDGG-AWEZNQCLSA-N 1 3 326.510 1.350 20 0 EDADHO CSc1ccc([C@@H](CNC(=O)NC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418237614 446467701 /nfs/dbraw/zinc/46/77/01/446467701.db2.gz VYGUNSKRYHVTOH-XJKSGUPXSA-N 1 3 336.505 1.920 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000420309253 446472233 /nfs/dbraw/zinc/47/22/33/446472233.db2.gz DTYCMXSXZXWQBI-DOTOQJQBSA-N 1 3 329.448 1.741 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000420309253 446472235 /nfs/dbraw/zinc/47/22/35/446472235.db2.gz DTYCMXSXZXWQBI-DOTOQJQBSA-N 1 3 329.448 1.741 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311636 446476186 /nfs/dbraw/zinc/47/61/86/446476186.db2.gz HHLDVHRFLBGNLL-HKUYNNGSSA-N 1 3 347.503 1.782 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311636 446476190 /nfs/dbraw/zinc/47/61/90/446476190.db2.gz HHLDVHRFLBGNLL-HKUYNNGSSA-N 1 3 347.503 1.782 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311636 446476195 /nfs/dbraw/zinc/47/61/95/446476195.db2.gz HHLDVHRFLBGNLL-HKUYNNGSSA-N 1 3 347.503 1.782 20 0 EDADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420316642 446481759 /nfs/dbraw/zinc/48/17/59/446481759.db2.gz MWHLIAKSOAKWMS-OAHLLOKOSA-N 1 3 340.489 1.790 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)ccc1OCCN(C)C ZINC000423337016 446494196 /nfs/dbraw/zinc/49/41/96/446494196.db2.gz HAVSSCYXHLSKAV-GOEBONIOSA-N 1 3 349.475 1.640 20 0 EDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCCNCc1cccnc1 ZINC000418334511 446503923 /nfs/dbraw/zinc/50/39/23/446503923.db2.gz XQMKQCXFRJLPDD-RYTJFDOTSA-N 1 3 331.464 1.376 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000423375818 446508240 /nfs/dbraw/zinc/50/82/40/446508240.db2.gz IXKCPAJOHCTQMD-GXTWGEPZSA-N 1 3 346.431 1.483 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418367202 446516429 /nfs/dbraw/zinc/51/64/29/446516429.db2.gz ZFZOYKLXSLOMOT-DLBZAZTESA-N 1 3 333.480 1.013 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[NH2+][C@H](C)C1 ZINC000420343052 446515786 /nfs/dbraw/zinc/51/57/86/446515786.db2.gz YKIDPSCESKRKLL-IAGOWNOFSA-N 1 3 344.503 1.449 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373815 446565764 /nfs/dbraw/zinc/56/57/64/446565764.db2.gz HKVDETIMRZRCRP-HZPDHXFCSA-N 1 3 342.447 1.235 20 0 EDADHO NC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C2CC3CC(C2)CC1C3 ZINC000423533355 446565941 /nfs/dbraw/zinc/56/59/41/446565941.db2.gz XMCCYQFIOCJMKI-BHKQZPHESA-N 1 3 333.520 1.887 20 0 EDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H](Cc1ccccc1Br)C1CC1 ZINC000423442482 446539555 /nfs/dbraw/zinc/53/95/55/446539555.db2.gz WOAFZNDPAGXDMG-VNQPRFMTSA-N 1 3 339.277 1.940 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000418431823 446541847 /nfs/dbraw/zinc/54/18/47/446541847.db2.gz RNXBOUVXBMQSGO-GASCZTMLSA-N 1 3 340.512 1.645 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418440152 446544478 /nfs/dbraw/zinc/54/44/78/446544478.db2.gz KOEVNYPBHNURSR-CQSZACIVSA-N 1 3 335.452 1.295 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418469157 446555275 /nfs/dbraw/zinc/55/52/75/446555275.db2.gz JVRGXZYYSPSQCZ-WBVHZDCISA-N 1 3 333.480 1.672 20 0 EDADHO CC(C)N(C(=O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393383 446568994 /nfs/dbraw/zinc/56/89/94/446568994.db2.gz QJMKMHSLRZRENQ-SJORKVTESA-N 1 3 325.497 1.850 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418504908 446570547 /nfs/dbraw/zinc/57/05/47/446570547.db2.gz BNTSSYDTIZXXFY-GJZGRUSLSA-N 1 3 326.485 1.256 20 0 EDADHO [NH3+]CC1(O)CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000420399553 446572937 /nfs/dbraw/zinc/57/29/37/446572937.db2.gz CBWHTJBXGFEOFS-UHFFFAOYSA-N 1 3 336.823 1.718 20 0 EDADHO CC(C)N1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576145 /nfs/dbraw/zinc/57/61/45/446576145.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)N1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576153 /nfs/dbraw/zinc/57/61/53/446576153.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515570 446576670 /nfs/dbraw/zinc/57/66/70/446576670.db2.gz BQHLSLIWJJIZEX-DOTOQJQBSA-N 1 3 333.480 1.815 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418520864 446578426 /nfs/dbraw/zinc/57/84/26/446578426.db2.gz HYYVECXLCLNHFY-QYZOEREBSA-N 1 3 342.487 1.759 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418535652 446583675 /nfs/dbraw/zinc/58/36/75/446583675.db2.gz DYCQHPBWILMMPG-UHFFFAOYSA-N 1 3 334.439 1.819 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418538663 446585082 /nfs/dbraw/zinc/58/50/82/446585082.db2.gz DWKXBYFVHBMIGW-RDJZCZTQSA-N 1 3 333.480 1.815 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000420418601 446592929 /nfs/dbraw/zinc/59/29/29/446592929.db2.gz XAKAHGMINGVPAM-KBAYOESNSA-N 1 3 332.492 1.322 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418755120 446673871 /nfs/dbraw/zinc/67/38/71/446673871.db2.gz XEXOTKLZOKAZDH-UONOGXRCSA-N 1 3 330.423 1.644 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000423758967 446688673 /nfs/dbraw/zinc/68/86/73/446688673.db2.gz KYQLPUAPIRVKJH-QYZOEREBSA-N 1 3 348.535 1.393 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000423754977 446683814 /nfs/dbraw/zinc/68/38/14/446683814.db2.gz ZZUATWCXFAZECF-AWEZNQCLSA-N 1 3 329.391 1.219 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418855152 446753945 /nfs/dbraw/zinc/75/39/45/446753945.db2.gz CWZDIHUHCFRSNC-AWEZNQCLSA-N 1 3 338.496 1.001 20 0 EDADHO C[NH2+]CCNC(=O)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000418865673 446761646 /nfs/dbraw/zinc/76/16/46/446761646.db2.gz MNCVWCYBIAVTCO-HNNXBMFYSA-N 1 3 346.475 1.102 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418910287 446791689 /nfs/dbraw/zinc/79/16/89/446791689.db2.gz BHCVMMVESLEWKU-HDMKZQKVSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423972012 446802198 /nfs/dbraw/zinc/80/21/98/446802198.db2.gz HOAYPHVPIFPTIZ-FUHWJXTLSA-N 1 3 330.476 1.394 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000424453504 446875067 /nfs/dbraw/zinc/87/50/67/446875067.db2.gz KHFVBJLXDQWURA-HNNXBMFYSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000424453504 446875075 /nfs/dbraw/zinc/87/50/75/446875075.db2.gz KHFVBJLXDQWURA-HNNXBMFYSA-N 1 3 346.475 1.629 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076986 446907408 /nfs/dbraw/zinc/90/74/08/446907408.db2.gz ILDRRWCWPYITCB-HNNXBMFYSA-N 1 3 338.496 1.145 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)C1 ZINC000412337230 446940504 /nfs/dbraw/zinc/94/05/04/446940504.db2.gz PVFJZONRBXIACD-ZBRFXRBCSA-N 1 3 337.508 1.959 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCN1Cc1ccccc1 ZINC000454967085 447015314 /nfs/dbraw/zinc/01/53/14/447015314.db2.gz WJETZXGFFLZOFL-DSLXNQLJSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCN1Cc1ccccc1 ZINC000454967085 447015317 /nfs/dbraw/zinc/01/53/17/447015317.db2.gz WJETZXGFFLZOFL-DSLXNQLJSA-N 1 3 342.487 1.995 20 0 EDADHO CS[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1N(C)C ZINC000368601979 446972983 /nfs/dbraw/zinc/97/29/83/446972983.db2.gz HXDBAPDCDYNJEH-BNEGEGKKSA-N 1 3 325.522 1.644 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H](N)c1ccccc1 ZINC000372099440 447000933 /nfs/dbraw/zinc/00/09/33/447000933.db2.gz UVYDISXFPHYMQE-QXAKKESOSA-N 1 3 344.503 1.561 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H](N)c1ccccc1 ZINC000372099440 447000938 /nfs/dbraw/zinc/00/09/38/447000938.db2.gz UVYDISXFPHYMQE-QXAKKESOSA-N 1 3 344.503 1.561 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000419191353 447002729 /nfs/dbraw/zinc/00/27/29/447002729.db2.gz OAGCPVQJRFYSRZ-CABCVRRESA-N 1 3 346.475 1.141 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000419191353 447002732 /nfs/dbraw/zinc/00/27/32/447002732.db2.gz OAGCPVQJRFYSRZ-CABCVRRESA-N 1 3 346.475 1.141 20 0 EDADHO CCCN(CCC)C(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372366778 447049715 /nfs/dbraw/zinc/04/97/15/447049715.db2.gz CIFJLFIQTJTJDY-SFHVURJKSA-N 1 3 338.540 1.735 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)N1CCCCCC1 ZINC000444383007 447096869 /nfs/dbraw/zinc/09/68/69/447096869.db2.gz QTSWQCSXBDYNFG-JKSUJKDBSA-N 1 3 325.497 1.555 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)N1CCCCCC1 ZINC000444383007 447096872 /nfs/dbraw/zinc/09/68/72/447096872.db2.gz QTSWQCSXBDYNFG-JKSUJKDBSA-N 1 3 325.497 1.555 20 0 EDADHO CN1CCN(CC2(C)CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)CC1 ZINC000368820724 447133478 /nfs/dbraw/zinc/13/34/78/447133478.db2.gz GCDPCUVBDGKNFQ-PMACEKPBSA-N 1 3 343.515 1.994 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000455657991 447199083 /nfs/dbraw/zinc/19/90/83/447199083.db2.gz MOEWANXIVHHJOK-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000455657991 447199092 /nfs/dbraw/zinc/19/90/92/447199092.db2.gz MOEWANXIVHHJOK-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000377564665 447208054 /nfs/dbraw/zinc/20/80/54/447208054.db2.gz PMBVOCLFMZVAOK-INIZCTEOSA-N 1 3 339.480 1.382 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000377564665 447208057 /nfs/dbraw/zinc/20/80/57/447208057.db2.gz PMBVOCLFMZVAOK-INIZCTEOSA-N 1 3 339.480 1.382 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000376046462 447233094 /nfs/dbraw/zinc/23/30/94/447233094.db2.gz ZKLWXODZKVRLCH-BPQIPLTHSA-N 1 3 333.476 1.719 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCCC3CC[NH+](C)CC3)n2)CC1 ZINC000376048413 447235244 /nfs/dbraw/zinc/23/52/44/447235244.db2.gz YOOXBEUAWIQYJV-UHFFFAOYSA-N 1 3 348.495 2.003 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046246 447285199 /nfs/dbraw/zinc/28/51/99/447285199.db2.gz FDKKZRIRRFMRQN-ZACQAIPSSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379682560 447453637 /nfs/dbraw/zinc/45/36/37/447453637.db2.gz XVYSCZTVCMUEBT-AEFFLSMTSA-N 1 3 330.476 1.061 20 0 EDADHO CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000419897542 447476417 /nfs/dbraw/zinc/47/64/17/447476417.db2.gz OLHNHMYCVGPWDZ-WBVHZDCISA-N 1 3 346.475 1.006 20 0 EDADHO C[C@H]1CN(C(=O)[C@H]2CCCN2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938667 447518943 /nfs/dbraw/zinc/51/89/43/447518943.db2.gz BIUQNEKECTVNRA-MAUKXSAKSA-N 1 3 334.508 1.240 20 0 EDADHO C[C@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232758 447564093 /nfs/dbraw/zinc/56/40/93/447564093.db2.gz GYWSOYBVQCUHDV-GJZGRUSLSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000420111438 447609060 /nfs/dbraw/zinc/60/90/60/447609060.db2.gz CKKWJARZAYJIHF-KEYYUXOJSA-N 1 3 344.459 1.018 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000427914053 447668618 /nfs/dbraw/zinc/66/86/18/447668618.db2.gz PTTPNKGZIGKHAR-INIZCTEOSA-N 1 3 337.508 1.819 20 0 EDADHO CC[C@H](NCCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422713845 447725380 /nfs/dbraw/zinc/72/53/80/447725380.db2.gz KIPVMBXJVVYADT-ROUUACIJSA-N 1 3 346.523 1.499 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000422776389 447747606 /nfs/dbraw/zinc/74/76/06/447747606.db2.gz ALIITCCDTKQERT-RBUKOAKNSA-N 1 3 335.492 1.712 20 0 EDADHO O=C(NCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813288 447756478 /nfs/dbraw/zinc/75/64/78/447756478.db2.gz ZHFOYNROOXAEGO-BEFAXECRSA-N 1 3 341.411 1.855 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000422989038 447788124 /nfs/dbraw/zinc/78/81/24/447788124.db2.gz LLGWHGQVGVGEDM-NWDGAFQWSA-N 1 3 327.375 1.414 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccc(N(C)C)n2)CC[NH2+]CC1 ZINC000423009103 447791009 /nfs/dbraw/zinc/79/10/09/447791009.db2.gz CEIYROGSYMFVOF-CQSZACIVSA-N 1 3 334.464 1.559 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)CC[NH2+]CC1 ZINC000423025494 447793243 /nfs/dbraw/zinc/79/32/43/447793243.db2.gz OLUBWHHKAFVNFW-OLZOCXBDSA-N 1 3 337.468 1.900 20 0 EDADHO CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[n-]2)CC[NH2+]CC1 ZINC000423025494 447793246 /nfs/dbraw/zinc/79/32/46/447793246.db2.gz OLUBWHHKAFVNFW-OLZOCXBDSA-N 1 3 337.468 1.900 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574992 447916901 /nfs/dbraw/zinc/91/69/01/447916901.db2.gz QAYZLEHLTWORFK-UYAOXDASSA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574992 447916907 /nfs/dbraw/zinc/91/69/07/447916907.db2.gz QAYZLEHLTWORFK-UYAOXDASSA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CCN(C)CC1 ZINC000576210411 447999953 /nfs/dbraw/zinc/99/99/53/447999953.db2.gz KKUVALUKHZAJOB-GOSISDBHSA-N 1 3 345.491 1.683 20 0 EDADHO Cc1cc(OCC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000531118394 448021566 /nfs/dbraw/zinc/02/15/66/448021566.db2.gz UBNQGQABIWBDEA-UHFFFAOYSA-N 1 3 341.883 1.979 20 0 EDADHO COc1cnccc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525852725 448039722 /nfs/dbraw/zinc/03/97/22/448039722.db2.gz JZWBQYJGEPHAMB-AWEZNQCLSA-N 1 3 337.468 1.286 20 0 EDADHO CC(C)CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CCN(C)CC1 ZINC000570451847 448017392 /nfs/dbraw/zinc/01/73/92/448017392.db2.gz BFCCKINLTQJUTM-CQSZACIVSA-N 1 3 333.480 1.679 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000526041169 448085472 /nfs/dbraw/zinc/08/54/72/448085472.db2.gz WJPGDEUNZUZNED-LSDHHAIUSA-N 1 3 339.505 1.943 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)N(C)C1 ZINC000501768961 448097597 /nfs/dbraw/zinc/09/75/97/448097597.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)N(C)C1 ZINC000501768961 448097603 /nfs/dbraw/zinc/09/76/03/448097603.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 1 3 326.485 1.076 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000571303908 448134156 /nfs/dbraw/zinc/13/41/56/448134156.db2.gz HFWRDONXTVGJAP-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882835 448143624 /nfs/dbraw/zinc/14/36/24/448143624.db2.gz KOQFVRMUHRKREN-JTHGQSKGSA-N 1 3 337.508 1.844 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882835 448143629 /nfs/dbraw/zinc/14/36/29/448143629.db2.gz KOQFVRMUHRKREN-JTHGQSKGSA-N 1 3 337.508 1.844 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532089181 448199675 /nfs/dbraw/zinc/19/96/75/448199675.db2.gz ZDOUJOLWTGDBIV-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532089181 448199678 /nfs/dbraw/zinc/19/96/78/448199678.db2.gz ZDOUJOLWTGDBIV-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056820 448250908 /nfs/dbraw/zinc/25/09/08/448250908.db2.gz KJXUCARNSFNVHO-CVEARBPZSA-N 1 3 328.501 1.421 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056820 448250911 /nfs/dbraw/zinc/25/09/11/448250911.db2.gz KJXUCARNSFNVHO-CVEARBPZSA-N 1 3 328.501 1.421 20 0 EDADHO C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC1 ZINC000577266477 448251016 /nfs/dbraw/zinc/25/10/16/448251016.db2.gz QRSYTQWJUGJORD-HOCLYGCPSA-N 1 3 325.522 1.804 20 0 EDADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306264 448262877 /nfs/dbraw/zinc/26/28/77/448262877.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 1 3 338.540 1.103 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@@H](OC)C3)CC2)CC1 ZINC000572176508 448307253 /nfs/dbraw/zinc/30/72/53/448307253.db2.gz CEFDRTIOEHFZMP-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603430 448339042 /nfs/dbraw/zinc/33/90/42/448339042.db2.gz CLTULZXYAHRZSW-OALUTQOASA-N 1 3 348.487 1.655 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603430 448339048 /nfs/dbraw/zinc/33/90/48/448339048.db2.gz CLTULZXYAHRZSW-OALUTQOASA-N 1 3 348.487 1.655 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831573 448396248 /nfs/dbraw/zinc/39/62/48/448396248.db2.gz CMVDDJMOAAPMOP-NUJGCVRESA-N 1 3 330.476 1.806 20 0 EDADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000572498793 448396292 /nfs/dbraw/zinc/39/62/92/448396292.db2.gz NPPMLSFHFPKBRX-CEXWTWQISA-N 1 3 342.487 1.948 20 0 EDADHO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000572596065 448416579 /nfs/dbraw/zinc/41/65/79/448416579.db2.gz FNQATNRBFSRNSN-MAUKXSAKSA-N 1 3 334.460 1.813 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647608 448432158 /nfs/dbraw/zinc/43/21/58/448432158.db2.gz UCPAGDTZSLLMNF-FGTMMUONSA-N 1 3 349.475 1.189 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000572845370 448478833 /nfs/dbraw/zinc/47/88/33/448478833.db2.gz PLUDNGCUJPOSBI-HDICACEKSA-N 1 3 330.476 1.178 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497659 448560621 /nfs/dbraw/zinc/56/06/21/448560621.db2.gz RUUPTNCJNBAONW-SJORKVTESA-N 1 3 345.491 1.098 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000584516020 448552883 /nfs/dbraw/zinc/55/28/83/448552883.db2.gz WYLVJQWVRLQPPF-UHFFFAOYSA-N 1 3 349.519 1.364 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278510 448586564 /nfs/dbraw/zinc/58/65/64/448586564.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278510 448586569 /nfs/dbraw/zinc/58/65/69/448586569.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000566981179 448596788 /nfs/dbraw/zinc/59/67/88/448596788.db2.gz ZYWNRHHXUSVSAG-LSDHHAIUSA-N 1 3 326.485 1.175 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000566981179 448596792 /nfs/dbraw/zinc/59/67/92/448596792.db2.gz ZYWNRHHXUSVSAG-LSDHHAIUSA-N 1 3 326.485 1.175 20 0 EDADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000573318331 448596808 /nfs/dbraw/zinc/59/68/08/448596808.db2.gz WDENHQKRJPXPKP-GOSISDBHSA-N 1 3 349.519 1.659 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)[C@H](CO)C3)CC2)CC1 ZINC000578641903 448602632 /nfs/dbraw/zinc/60/26/32/448602632.db2.gz OMZHWCJSXUBENA-WBVHZDCISA-N 1 3 337.508 1.270 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000518179381 448652012 /nfs/dbraw/zinc/65/20/12/448652012.db2.gz ZJWAYMVCMQMPNU-CQSZACIVSA-N 1 3 329.510 1.041 20 0 EDADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(=O)N(C)C ZINC000518217488 448657341 /nfs/dbraw/zinc/65/73/41/448657341.db2.gz SLWDTPRUAMNSDR-LSDHHAIUSA-N 1 3 335.448 1.522 20 0 EDADHO CCOC(=O)CC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000573596557 448668170 /nfs/dbraw/zinc/66/81/70/448668170.db2.gz SZWCYMQGNAXUIU-KRWDZBQOSA-N 1 3 335.448 1.592 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592261 448719274 /nfs/dbraw/zinc/71/92/74/448719274.db2.gz UCPAGDTZSLLMNF-RCCFBDPRSA-N 1 3 349.475 1.189 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000519120144 448742923 /nfs/dbraw/zinc/74/29/23/448742923.db2.gz SXVTXGADQWMNPN-RYRKJORJSA-N 1 3 330.476 1.948 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000545238386 448779675 /nfs/dbraw/zinc/77/96/75/448779675.db2.gz GEXCAOXIAITVMG-MSOLQXFVSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000545238386 448779681 /nfs/dbraw/zinc/77/96/81/448779681.db2.gz GEXCAOXIAITVMG-MSOLQXFVSA-N 1 3 331.460 1.211 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000574056483 448782301 /nfs/dbraw/zinc/78/23/01/448782301.db2.gz NRGACBWJVLDGQM-MAUKXSAKSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195366 448814627 /nfs/dbraw/zinc/81/46/27/448814627.db2.gz UZJXUWCBJBWPRX-BRSBDYLESA-N 1 3 327.513 1.311 20 0 EDADHO C[C@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)N1CCCCC1 ZINC000574195366 448814635 /nfs/dbraw/zinc/81/46/35/448814635.db2.gz UZJXUWCBJBWPRX-BRSBDYLESA-N 1 3 327.513 1.311 20 0 EDADHO [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CCCN3C3CCOCC3)cc2C1 ZINC000568271021 448847892 /nfs/dbraw/zinc/84/78/92/448847892.db2.gz PGSWFJSEMKZWDN-KSSFIOAISA-N 1 3 344.459 1.480 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000574336900 448848200 /nfs/dbraw/zinc/84/82/00/448848200.db2.gz LTWHAKQKNPBHLE-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000574336900 448848205 /nfs/dbraw/zinc/84/82/05/448848205.db2.gz LTWHAKQKNPBHLE-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000579928378 448911338 /nfs/dbraw/zinc/91/13/38/448911338.db2.gz JGZMPIVAZFFGFT-STQMWFEESA-N 1 3 337.386 1.227 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000579928378 448911340 /nfs/dbraw/zinc/91/13/40/448911340.db2.gz JGZMPIVAZFFGFT-STQMWFEESA-N 1 3 337.386 1.227 20 0 EDADHO C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCNC1 ZINC000574683611 448932114 /nfs/dbraw/zinc/93/21/14/448932114.db2.gz UUPDJOZZHCVTGH-CABCVRRESA-N 1 3 336.480 1.609 20 0 EDADHO C[C@H]1CN(C(=O)Nc2ccn(CCN(C)C)n2)CC[N@@H+](C2CCC2)C1 ZINC000581406988 448974113 /nfs/dbraw/zinc/97/41/13/448974113.db2.gz NBPDETIWMBLZME-OAHLLOKOSA-N 1 3 348.495 1.783 20 0 EDADHO C[C@H]1CN(C(=O)Nc2ccn(CCN(C)C)n2)CC[N@H+](C2CCC2)C1 ZINC000581406988 448974117 /nfs/dbraw/zinc/97/41/17/448974117.db2.gz NBPDETIWMBLZME-OAHLLOKOSA-N 1 3 348.495 1.783 20 0 EDADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)cc2)CC1 ZINC000575038258 449018209 /nfs/dbraw/zinc/01/82/09/449018209.db2.gz FAOKNRGUEIWQOS-RBUKOAKNSA-N 1 3 344.503 1.824 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231732 449089133 /nfs/dbraw/zinc/08/91/33/449089133.db2.gz LHKCUKTTXKASPN-GOSISDBHSA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231732 449089139 /nfs/dbraw/zinc/08/91/39/449089139.db2.gz LHKCUKTTXKASPN-GOSISDBHSA-N 1 3 347.503 1.924 20 0 EDADHO COC(=O)c1coc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000597942996 449152705 /nfs/dbraw/zinc/15/27/05/449152705.db2.gz SEUZBIOGQDLCSD-LBPRGKRZSA-N 1 3 325.409 1.068 20 0 EDADHO COC(=O)c1coc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000597942996 449152708 /nfs/dbraw/zinc/15/27/08/449152708.db2.gz SEUZBIOGQDLCSD-LBPRGKRZSA-N 1 3 325.409 1.068 20 0 EDADHO COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000597943354 449153462 /nfs/dbraw/zinc/15/34/62/449153462.db2.gz YZDSTXUBVWOHQE-JYJNAYRXSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000597943354 449153465 /nfs/dbraw/zinc/15/34/65/449153465.db2.gz YZDSTXUBVWOHQE-JYJNAYRXSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@H]1C[C@@H](N(C)C/C=C\C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851066 449206433 /nfs/dbraw/zinc/20/64/33/449206433.db2.gz UQSPQLKYEIAWLS-RNDSNWHESA-N 1 3 338.448 1.309 20 0 EDADHO COC(=O)[C@H]1C[C@@H](N(C)C/C=C\C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851066 449206441 /nfs/dbraw/zinc/20/64/41/449206441.db2.gz UQSPQLKYEIAWLS-RNDSNWHESA-N 1 3 338.448 1.309 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267059 /nfs/dbraw/zinc/26/70/59/449267059.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267062 /nfs/dbraw/zinc/26/70/62/449267062.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 1 3 349.523 1.035 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007017 449271956 /nfs/dbraw/zinc/27/19/56/449271956.db2.gz UTFDGPUOECPVFW-UHFFFAOYSA-N 1 3 336.480 1.319 20 0 EDADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000614336601 449565914 /nfs/dbraw/zinc/56/59/14/449565914.db2.gz ZJPRSDJLBIZYCF-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000614336601 449565917 /nfs/dbraw/zinc/56/59/17/449565917.db2.gz ZJPRSDJLBIZYCF-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000596691614 449609531 /nfs/dbraw/zinc/60/95/31/449609531.db2.gz OPKJZRAIUQQTGJ-UHFFFAOYSA-N 1 3 329.448 1.595 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000596691614 449609536 /nfs/dbraw/zinc/60/95/36/449609536.db2.gz OPKJZRAIUQQTGJ-UHFFFAOYSA-N 1 3 329.448 1.595 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000617505904 449653623 /nfs/dbraw/zinc/65/36/23/449653623.db2.gz UYUNVQRNNPGHCM-ZWOKBUDYSA-N 1 3 349.519 1.929 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000617505904 449653629 /nfs/dbraw/zinc/65/36/29/449653629.db2.gz UYUNVQRNNPGHCM-ZWOKBUDYSA-N 1 3 349.519 1.929 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000612331495 449646945 /nfs/dbraw/zinc/64/69/45/449646945.db2.gz IXGOXTKKIFYOPP-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601248583 449773107 /nfs/dbraw/zinc/77/31/07/449773107.db2.gz MIDFNIBLPYHJHO-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601248583 449773114 /nfs/dbraw/zinc/77/31/14/449773114.db2.gz MIDFNIBLPYHJHO-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000594926610 449810375 /nfs/dbraw/zinc/81/03/75/449810375.db2.gz UKJCHWSOCNKWCH-AYOQOUSVSA-N 1 3 345.487 1.721 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000616782382 450483797 /nfs/dbraw/zinc/48/37/97/450483797.db2.gz DEKJEZUWPCLMGN-YHUYYLMFSA-N 1 3 340.512 1.210 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000616782382 450483799 /nfs/dbraw/zinc/48/37/99/450483799.db2.gz DEKJEZUWPCLMGN-YHUYYLMFSA-N 1 3 340.512 1.210 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000633031350 450626681 /nfs/dbraw/zinc/62/66/81/450626681.db2.gz KAFMLIBAGANDPV-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@@H]21 ZINC000624116970 450712302 /nfs/dbraw/zinc/71/23/02/450712302.db2.gz CNWKGAIERSXXSP-UGUYLWEFSA-N 1 3 341.463 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@@H]21 ZINC000624116970 450712303 /nfs/dbraw/zinc/71/23/03/450712303.db2.gz CNWKGAIERSXXSP-UGUYLWEFSA-N 1 3 341.463 1.165 20 0 EDADHO CN1CCO[C@H]([C@@H](NCCOCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000629541120 450726820 /nfs/dbraw/zinc/72/68/20/450726820.db2.gz XKFXUZUZGQMSNI-IRXDYDNUSA-N 1 3 341.883 1.667 20 0 EDADHO CCC(C)(C)[C@@H](O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000635458075 450957664 /nfs/dbraw/zinc/95/76/64/450957664.db2.gz QPZXRUHOEZAEJX-INIZCTEOSA-N 1 3 325.497 1.458 20 0 EDADHO CCOc1cc2[nH+]ccc(NCCN3CC[C@H](O)C3)c2cc1OCC ZINC000624774544 450991369 /nfs/dbraw/zinc/99/13/69/450991369.db2.gz QXMUSBYWVOJOGQ-AWEZNQCLSA-N 1 3 345.443 1.933 20 0 EDADHO C[C@@](O)(C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043804 450977978 /nfs/dbraw/zinc/97/79/78/450977978.db2.gz YFLQDJMCNRDHCD-IEBWSBKVSA-N 1 3 340.508 1.475 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000626916569 451002657 /nfs/dbraw/zinc/00/26/57/451002657.db2.gz KUZUBEHHKJVJAV-QGZVFWFLSA-N 1 3 334.464 1.440 20 0 EDADHO CN(CCOCC[NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000626934711 451017721 /nfs/dbraw/zinc/01/77/21/451017721.db2.gz LZCMDELNBRMAFS-KRWDZBQOSA-N 1 3 334.464 1.440 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000626994795 451061062 /nfs/dbraw/zinc/06/10/62/451061062.db2.gz KBGDJJOUOQKAOX-AEFFLSMTSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012723 451077463 /nfs/dbraw/zinc/07/74/63/451077463.db2.gz HHMJGWJKRLZYDG-NVXWUHKLSA-N 1 3 334.464 1.124 20 0 EDADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114127 451130309 /nfs/dbraw/zinc/13/03/09/451130309.db2.gz YQEPYZAHIMVGLI-GVDBMIGSSA-N 1 3 334.439 1.665 20 0 EDADHO CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627152234 451150652 /nfs/dbraw/zinc/15/06/52/451150652.db2.gz UPQVECJWONWYSS-KRWDZBQOSA-N 1 3 346.475 1.410 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212884 /nfs/dbraw/zinc/21/28/84/451212884.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 1 3 345.487 1.327 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212888 /nfs/dbraw/zinc/21/28/88/451212888.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 1 3 345.487 1.327 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638124668 451295474 /nfs/dbraw/zinc/29/54/74/451295474.db2.gz GHQQUXBDCXBYOU-QGZVFWFLSA-N 1 3 325.497 1.853 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638126298 451297336 /nfs/dbraw/zinc/29/73/36/451297336.db2.gz SXNLAHIZGXUFPB-OALUTQOASA-N 1 3 346.519 1.636 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127626 451298562 /nfs/dbraw/zinc/29/85/62/451298562.db2.gz WXTCSKWZAGMBCZ-IEBWSBKVSA-N 1 3 331.460 1.475 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142492 451316672 /nfs/dbraw/zinc/31/66/72/451316672.db2.gz CHWNXTOEOIRNRK-QYZOEREBSA-N 1 3 344.503 1.436 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638271273 451390800 /nfs/dbraw/zinc/39/08/00/451390800.db2.gz OAIJGOWXEORJBP-SFHVURJKSA-N 1 3 332.492 1.435 20 0 EDADHO C[C@@H]1CCCN(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634643107 451436174 /nfs/dbraw/zinc/43/61/74/451436174.db2.gz WJBPJIBHWMIOOU-UYAOXDASSA-N 1 3 331.504 1.945 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350252 451451347 /nfs/dbraw/zinc/45/13/47/451451347.db2.gz FEDWESUFMHXIOM-MSOLQXFVSA-N 1 3 338.455 1.362 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367941 451467056 /nfs/dbraw/zinc/46/70/56/451467056.db2.gz RKNWMTOZRJKRIW-JRBPQWBISA-N 1 3 343.471 1.486 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000638373886 451470734 /nfs/dbraw/zinc/47/07/34/451470734.db2.gz VJEVZKAKAZKIAL-RTBURBONSA-N 1 3 339.439 1.650 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638374154 451470970 /nfs/dbraw/zinc/47/09/70/451470970.db2.gz XFNMIXYXBZPDLC-HXUWFJFHSA-N 1 3 335.451 1.960 20 0 EDADHO C[C@H](NC[C@H](O)CC1(O)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710997 451490166 /nfs/dbraw/zinc/49/01/66/451490166.db2.gz HSNBPNUOEDSZMY-LZLYRXPVSA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H](NC[C@H](O)CC1(O)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710997 451490171 /nfs/dbraw/zinc/49/01/71/451490171.db2.gz HSNBPNUOEDSZMY-LZLYRXPVSA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000634710997 451490176 /nfs/dbraw/zinc/49/01/76/451490176.db2.gz HSNBPNUOEDSZMY-LZLYRXPVSA-N 1 3 340.508 1.522 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000634745362 451521980 /nfs/dbraw/zinc/52/19/80/451521980.db2.gz FHKHQQMLOMEGRG-YSIASYRMSA-N 1 3 342.487 1.752 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@]34CCC[C@@H]3C[NH2+]C4)cc2)CC1 ZINC000634768453 451537051 /nfs/dbraw/zinc/53/70/51/451537051.db2.gz KVIHAEXHMCLKHP-XLIONFOSSA-N 1 3 342.487 1.700 20 0 EDADHO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000634768794 451537314 /nfs/dbraw/zinc/53/73/14/451537314.db2.gz YXKRIUTTXKSRAR-LMMKCTJWSA-N 1 3 328.460 1.552 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000638526541 451558277 /nfs/dbraw/zinc/55/82/77/451558277.db2.gz MFWDYXWOQVRCPG-HUUCEWRRSA-N 1 3 332.448 1.434 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000638526132 451558850 /nfs/dbraw/zinc/55/88/50/451558850.db2.gz FHTXXHAOIIZHNZ-GOSISDBHSA-N 1 3 332.448 1.306 20 0 EDADHO NC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559332 451577135 /nfs/dbraw/zinc/57/71/35/451577135.db2.gz PWPCYIGPQQINOE-FPMFFAJLSA-N 1 3 347.356 1.854 20 0 EDADHO CNC(C)(C)c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836775 451622958 /nfs/dbraw/zinc/62/29/58/451622958.db2.gz KBCCYLNEIHRTRY-HNNXBMFYSA-N 1 3 344.463 1.152 20 0 EDADHO COc1ccc(C[C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cn1 ZINC000635011707 451648009 /nfs/dbraw/zinc/64/80/09/451648009.db2.gz OXLYCZMKJJXSEL-CQSZACIVSA-N 1 3 327.432 1.938 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC3(C[NH3+])CCCCC3)n2)CC1 ZINC000632940195 451661639 /nfs/dbraw/zinc/66/16/39/451661639.db2.gz GHYPTXIARAKNTA-UHFFFAOYSA-N 1 3 334.468 1.933 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000638746560 451673991 /nfs/dbraw/zinc/67/39/91/451673991.db2.gz HTXSWWJIDJYROG-KRWDZBQOSA-N 1 3 337.508 1.602 20 0 EDADHO C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CCN(C)CC1 ZINC000637035040 451690211 /nfs/dbraw/zinc/69/02/11/451690211.db2.gz UGFIYWSBKGPBJV-CQSZACIVSA-N 1 3 346.479 1.922 20 0 EDADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784669 451690621 /nfs/dbraw/zinc/69/06/21/451690621.db2.gz IYURTZNIXOJWHS-MSOLQXFVSA-N 1 3 337.508 1.901 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000638834920 451705635 /nfs/dbraw/zinc/70/56/35/451705635.db2.gz IFFKSRAOOKTCIX-RDJZCZTQSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000638834920 451705637 /nfs/dbraw/zinc/70/56/37/451705637.db2.gz IFFKSRAOOKTCIX-RDJZCZTQSA-N 1 3 331.460 1.249 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cn2)CC1 ZINC000632960082 451669412 /nfs/dbraw/zinc/66/94/12/451669412.db2.gz BQMBTXZMOJENNJ-BBRMVZONSA-N 1 3 332.452 1.366 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000631416635 451730598 /nfs/dbraw/zinc/73/05/98/451730598.db2.gz XNYDYUOSMHNQAP-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000631416635 451730601 /nfs/dbraw/zinc/73/06/01/451730601.db2.gz XNYDYUOSMHNQAP-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000638977015 451744328 /nfs/dbraw/zinc/74/43/28/451744328.db2.gz NVSGXLFPEVYVDF-GBESFXJTSA-N 1 3 334.460 1.394 20 0 EDADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@@]12CCCO2 ZINC000639058840 451759811 /nfs/dbraw/zinc/75/98/11/451759811.db2.gz GKNCDPLIDYHMJT-NUJGCVRESA-N 1 3 326.481 1.538 20 0 EDADHO CCNCc1ccn(Cc2cn(C[C@@H]3CCCC[N@@H+]3C(C)C)nn2)n1 ZINC000641167798 451767582 /nfs/dbraw/zinc/76/75/82/451767582.db2.gz ZAZMICCEXWATEL-SFHVURJKSA-N 1 3 345.495 1.895 20 0 EDADHO CCNCc1ccn(Cc2cn(C[C@@H]3CCCC[N@H+]3C(C)C)nn2)n1 ZINC000641167798 451767584 /nfs/dbraw/zinc/76/75/84/451767584.db2.gz ZAZMICCEXWATEL-SFHVURJKSA-N 1 3 345.495 1.895 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cn2)CC1 ZINC000637257285 451771648 /nfs/dbraw/zinc/77/16/48/451771648.db2.gz VLIVCNMKOLXFLO-AKAXFMLLSA-N 1 3 334.468 1.612 20 0 EDADHO O[C@@]1(Cn2cc([C@H]3CCC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230359 451791166 /nfs/dbraw/zinc/79/11/66/451791166.db2.gz PWYOUXKELWMHHP-HKUYNNGSSA-N 1 3 341.459 1.382 20 0 EDADHO COc1cc(C[C@@H](C)NCC(=O)NCC[NH+]2CCCCCC2)ccn1 ZINC000639204493 451791425 /nfs/dbraw/zinc/79/14/25/451791425.db2.gz APWMVCLWQIXVAB-MRXNPFEDSA-N 1 3 348.491 1.603 20 0 EDADHO COc1ccc([C@H](CO)CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639259979 451799761 /nfs/dbraw/zinc/79/97/61/451799761.db2.gz YRTKXCOALVFGJV-INIZCTEOSA-N 1 3 336.476 1.596 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000644561566 451860745 /nfs/dbraw/zinc/86/07/45/451860745.db2.gz AXIPPKZJEXYZNF-IEBWSBKVSA-N 1 3 347.503 1.493 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000644562187 451863402 /nfs/dbraw/zinc/86/34/02/451863402.db2.gz ALEATWVSCPSVJW-IBGZPJMESA-N 1 3 348.535 1.095 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000644562115 451863536 /nfs/dbraw/zinc/86/35/36/451863536.db2.gz WIXAYSWDBOWERZ-UYAOXDASSA-N 1 3 331.504 1.738 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]C[C@H](O)CN(C)Cc2ccccc2)CCCO1 ZINC000644632258 451907229 /nfs/dbraw/zinc/90/72/29/451907229.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 1 3 349.519 1.570 20 0 EDADHO COc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)N2CCCC2)cc1 ZINC000649277200 451947161 /nfs/dbraw/zinc/94/71/61/451947161.db2.gz LWZFDONQKUAZTG-SJLPKXTDSA-N 1 3 347.459 1.184 20 0 EDADHO C[N@@H+]1C[C@H]2CCN(CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000644733020 451958185 /nfs/dbraw/zinc/95/81/85/451958185.db2.gz VQFPNDSYWQLLRC-UYAOXDASSA-N 1 3 328.504 1.835 20 0 EDADHO C[N@H+]1C[C@H]2CCN(CCCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000644733020 451958190 /nfs/dbraw/zinc/95/81/90/451958190.db2.gz VQFPNDSYWQLLRC-UYAOXDASSA-N 1 3 328.504 1.835 20 0 EDADHO CC[C@H](CNC(=O)COC1(C)C[NH2+]C1)N1CCc2ccccc2C1 ZINC000649292977 451968875 /nfs/dbraw/zinc/96/88/75/451968875.db2.gz RLZPROYAAFNRSX-QGZVFWFLSA-N 1 3 331.460 1.318 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293983 451969691 /nfs/dbraw/zinc/96/96/91/451969691.db2.gz VUQCSNDINGHPBT-INIZCTEOSA-N 1 3 337.414 1.796 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000649327768 452007968 /nfs/dbraw/zinc/00/79/68/452007968.db2.gz JYCTZKZVJMIONU-UHFFFAOYSA-N 1 3 346.475 1.112 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649334076 452014343 /nfs/dbraw/zinc/01/43/43/452014343.db2.gz GZTOIGUQSPNXDA-HNNXBMFYSA-N 1 3 341.521 1.090 20 0 EDADHO COc1cc(OC)c(CNCCN2CCC([NH+](C)C)CC2)cc1F ZINC000651753196 452055317 /nfs/dbraw/zinc/05/53/17/452055317.db2.gz IGWLKLXLSOZOLQ-UHFFFAOYSA-N 1 3 339.455 1.959 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000637755282 452058162 /nfs/dbraw/zinc/05/81/62/452058162.db2.gz SYDLDUYACGUWSW-MRXNPFEDSA-N 1 3 342.434 1.971 20 0 EDADHO Cn1ccc(N2CCC[C@@H](N3CCC4(C3)CC[NH+](C)CC4)C2=O)n1 ZINC000639757611 452096871 /nfs/dbraw/zinc/09/68/71/452096871.db2.gz JJUVQZSGIHCNQN-OAHLLOKOSA-N 1 3 331.464 1.333 20 0 EDADHO COC[C@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830291 452102860 /nfs/dbraw/zinc/10/28/60/452102860.db2.gz KCCLVHJVDDHLAZ-KRWDZBQOSA-N 1 3 341.540 1.824 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000639765109 452104980 /nfs/dbraw/zinc/10/49/80/452104980.db2.gz ZYLQFRBTWBFHCG-FQEVSTJZSA-N 1 3 347.503 1.407 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000639765109 452104984 /nfs/dbraw/zinc/10/49/84/452104984.db2.gz ZYLQFRBTWBFHCG-FQEVSTJZSA-N 1 3 347.503 1.407 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833339 452106841 /nfs/dbraw/zinc/10/68/41/452106841.db2.gz RZEGMGHBCXCMEE-ZWKOTPCHSA-N 1 3 326.444 1.262 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000645016292 452114809 /nfs/dbraw/zinc/11/48/09/452114809.db2.gz ICRTYSPLYAOCLP-HNNXBMFYSA-N 1 3 348.495 1.783 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2cnn(CCN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000645016292 452114816 /nfs/dbraw/zinc/11/48/16/452114816.db2.gz ICRTYSPLYAOCLP-HNNXBMFYSA-N 1 3 348.495 1.783 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637859062 452117768 /nfs/dbraw/zinc/11/77/68/452117768.db2.gz QJDSCDYTUNJDBK-UHFFFAOYSA-N 1 3 347.463 1.551 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639881207 452216443 /nfs/dbraw/zinc/21/64/43/452216443.db2.gz VAAVAOPTYJBWEK-IAGOWNOFSA-N 1 3 327.513 1.263 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639881207 452216446 /nfs/dbraw/zinc/21/64/46/452216446.db2.gz VAAVAOPTYJBWEK-IAGOWNOFSA-N 1 3 327.513 1.263 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(N2CCOCC2)CCCCC1 ZINC000643455780 452232406 /nfs/dbraw/zinc/23/24/06/452232406.db2.gz ZRIAFJTYSUXBKE-BBWFWOEESA-N 1 3 325.497 1.363 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000643455780 452232409 /nfs/dbraw/zinc/23/24/09/452232409.db2.gz ZRIAFJTYSUXBKE-BBWFWOEESA-N 1 3 325.497 1.363 20 0 EDADHO CC(C)N1CCC([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641788665 452267358 /nfs/dbraw/zinc/26/73/58/452267358.db2.gz UEVVMLUXSBNQPB-IBGZPJMESA-N 1 3 338.540 1.245 20 0 EDADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641788665 452267365 /nfs/dbraw/zinc/26/73/65/452267365.db2.gz UEVVMLUXSBNQPB-IBGZPJMESA-N 1 3 338.540 1.245 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544221 452275068 /nfs/dbraw/zinc/27/50/68/452275068.db2.gz YIJHCFCPKZZBKY-HOTGVXAUSA-N 1 3 341.455 1.994 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2C[C@H](N)C2(C)C)cc1 ZINC000641805451 452282359 /nfs/dbraw/zinc/28/23/59/452282359.db2.gz OESHCYCSWKPDDP-LSDHHAIUSA-N 1 3 341.477 1.031 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659441174 452288302 /nfs/dbraw/zinc/28/83/02/452288302.db2.gz CMXQQAZITHXDTH-BYNSBNAKSA-N 1 3 328.476 1.824 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC000652119392 452314784 /nfs/dbraw/zinc/31/47/84/452314784.db2.gz AAMNMBGECUJINT-NSHGMRRFSA-N 1 3 344.503 1.930 20 0 EDADHO COCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757564 452324913 /nfs/dbraw/zinc/32/49/13/452324913.db2.gz OGXXHKWJGKRGCJ-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO COCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757564 452324917 /nfs/dbraw/zinc/32/49/17/452324917.db2.gz OGXXHKWJGKRGCJ-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@@H](C)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652141026 452333979 /nfs/dbraw/zinc/33/39/79/452333979.db2.gz CNEPZKBGJLXMEU-BZUAXINKSA-N 1 3 326.485 1.112 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000659485464 452346723 /nfs/dbraw/zinc/34/67/23/452346723.db2.gz QMOOSNAMRNBBNT-QGZVFWFLSA-N 1 3 348.491 1.656 20 0 EDADHO COC[C@@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCCCN1 ZINC000638065669 452367636 /nfs/dbraw/zinc/36/76/36/452367636.db2.gz BWNINPBVERZODK-GOSISDBHSA-N 1 3 325.497 1.773 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067602 452371256 /nfs/dbraw/zinc/37/12/56/452371256.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067602 452371266 /nfs/dbraw/zinc/37/12/66/452371266.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070536 452378996 /nfs/dbraw/zinc/37/89/96/452378996.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070536 452379002 /nfs/dbraw/zinc/37/90/02/452379002.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 1 3 346.519 1.825 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535855 452395601 /nfs/dbraw/zinc/39/56/01/452395601.db2.gz LGJGJSCBZQILNH-ROUUACIJSA-N 1 3 346.475 1.195 20 0 EDADHO O=C(CN1CC[C@H](O)[C@@H]2CCCC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095719 452418818 /nfs/dbraw/zinc/41/88/18/452418818.db2.gz PYUYQPBMAOJAIF-KURKYZTESA-N 1 3 335.492 1.355 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CCN(C2CC2)C1 ZINC000652269984 452459086 /nfs/dbraw/zinc/45/90/86/452459086.db2.gz PPCJFNYBOMQYRW-ZDUSSCGKSA-N 1 3 334.439 1.910 20 0 EDADHO CC(C)([NH3+])CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000645569107 452544297 /nfs/dbraw/zinc/54/42/97/452544297.db2.gz DCEWXYWZIAYSEB-UHFFFAOYSA-N 1 3 332.448 1.450 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H](N2CCCC2)C1 ZINC000645634863 452636847 /nfs/dbraw/zinc/63/68/47/452636847.db2.gz FLNVNFUGOTYTJB-SJORKVTESA-N 1 3 331.464 1.508 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](CN)C(F)(F)F)CC(C)C ZINC000655911884 452668730 /nfs/dbraw/zinc/66/87/30/452668730.db2.gz IFBAETJAKDVVKM-RYUDHWBXSA-N 1 3 326.407 1.932 20 0 EDADHO Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000664010170 452713008 /nfs/dbraw/zinc/71/30/08/452713008.db2.gz INYWLGZCBYYAGJ-LBPRGKRZSA-N 1 3 340.472 1.184 20 0 EDADHO Cc1nc(C(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000664010170 452713014 /nfs/dbraw/zinc/71/30/14/452713014.db2.gz INYWLGZCBYYAGJ-LBPRGKRZSA-N 1 3 340.472 1.184 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658140640 452748782 /nfs/dbraw/zinc/74/87/82/452748782.db2.gz VSMDWCJHKKOALA-SJORKVTESA-N 1 3 331.460 1.400 20 0 EDADHO CN(C[C@H]1CNc2ccnn2C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648035217 452772319 /nfs/dbraw/zinc/77/23/19/452772319.db2.gz WYXWCFKBBIWBCT-NVXWUHKLSA-N 1 3 332.496 1.025 20 0 EDADHO CN(C[C@H]1CNc2ccnn2C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648035217 452772327 /nfs/dbraw/zinc/77/23/27/452772327.db2.gz WYXWCFKBBIWBCT-NVXWUHKLSA-N 1 3 332.496 1.025 20 0 EDADHO CN1CCC(C[NH2+]Cc2cnc3ccccn23)(N2CCOCC2)CC1 ZINC000666407224 452847511 /nfs/dbraw/zinc/84/75/11/452847511.db2.gz AYCGLPPGAUNIJF-UHFFFAOYSA-N 1 3 343.475 1.221 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648160013 452869611 /nfs/dbraw/zinc/86/96/11/452869611.db2.gz NOPNDQMACXVDLH-WWDZGPRUSA-N 1 3 330.476 1.879 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000654740561 452872468 /nfs/dbraw/zinc/87/24/68/452872468.db2.gz JFCNCBHKMHFZGI-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000648169724 452879979 /nfs/dbraw/zinc/87/99/79/452879979.db2.gz OPSLBNGYNWZIJO-QGZVFWFLSA-N 1 3 347.459 1.327 20 0 EDADHO C[C@@H](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+](C)C ZINC000664211447 452885329 /nfs/dbraw/zinc/88/53/29/452885329.db2.gz OJKBOJAFBYCCIT-HNNXBMFYSA-N 1 3 332.492 1.725 20 0 EDADHO O=C(Nc1ccccc1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662248630 452972355 /nfs/dbraw/zinc/97/23/55/452972355.db2.gz IFLJIMZBWOXUAG-KRWDZBQOSA-N 1 3 329.444 1.858 20 0 EDADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248488 452972728 /nfs/dbraw/zinc/97/27/28/452972728.db2.gz DCDNYMDOHAJDMB-YOEHRIQHSA-N 1 3 327.432 1.781 20 0 EDADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248488 452972735 /nfs/dbraw/zinc/97/27/35/452972735.db2.gz DCDNYMDOHAJDMB-YOEHRIQHSA-N 1 3 327.432 1.781 20 0 EDADHO C[N@H+](Cc1cccc2c1CCNC2)C1CCN(S(C)(=O)=O)CC1 ZINC000662258023 452986000 /nfs/dbraw/zinc/98/60/00/452986000.db2.gz HJOUIYAJZLKXNE-UHFFFAOYSA-N 1 3 337.489 1.188 20 0 EDADHO C[N@@H+](Cc1cccc2c1CCNC2)C1CCN(S(C)(=O)=O)CC1 ZINC000662258023 452986005 /nfs/dbraw/zinc/98/60/05/452986005.db2.gz HJOUIYAJZLKXNE-UHFFFAOYSA-N 1 3 337.489 1.188 20 0 EDADHO CCN1C[C@@H](CN(C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261202 452991387 /nfs/dbraw/zinc/99/13/87/452991387.db2.gz UPVHMCWNQHPFBG-HZPDHXFCSA-N 1 3 331.460 1.727 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CN)c3ccc(F)cc3)CC2)C1 ZINC000646003035 452998456 /nfs/dbraw/zinc/99/84/56/452998456.db2.gz OGKMNFMVGDXKQC-MSOLQXFVSA-N 1 3 348.466 1.106 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](CN)c3ccc(F)cc3)CC2)C1 ZINC000646003035 452998466 /nfs/dbraw/zinc/99/84/66/452998466.db2.gz OGKMNFMVGDXKQC-MSOLQXFVSA-N 1 3 348.466 1.106 20 0 EDADHO CN(C)Cc1cccc(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000664331018 453006492 /nfs/dbraw/zinc/00/64/92/453006492.db2.gz NHTBDTOMXHZGLD-UHFFFAOYSA-N 1 3 335.496 1.753 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000662284556 453007160 /nfs/dbraw/zinc/00/71/60/453007160.db2.gz NLQJCNHSTUMOGG-KFWWJZLASA-N 1 3 336.484 1.331 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000646040960 453042441 /nfs/dbraw/zinc/04/24/41/453042441.db2.gz AWMFAWASZGHIDR-UHFFFAOYSA-N 1 3 347.463 1.968 20 0 EDADHO CC(C)N1CCN(CCCN2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662324009 453043842 /nfs/dbraw/zinc/04/38/42/453043842.db2.gz SNIFPJOJXWHGIH-LJQANCHMSA-N 1 3 340.556 1.445 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666674024 453059225 /nfs/dbraw/zinc/05/92/25/453059225.db2.gz XHVSKLVPXRYBPM-UHFFFAOYSA-N 1 3 346.475 1.664 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000662389727 453100976 /nfs/dbraw/zinc/10/09/76/453100976.db2.gz ZTOMGJZCFCOJNE-UHFFFAOYSA-N 1 3 332.492 1.438 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106149 453109517 /nfs/dbraw/zinc/10/95/17/453109517.db2.gz PZFPHXWRUJEXKI-HKUYNNGSSA-N 1 3 331.460 1.345 20 0 EDADHO CC[NH+](CC)CCCC1CCN(CCN2C(=O)CN(C)C2=O)CC1 ZINC000660244576 453151986 /nfs/dbraw/zinc/15/19/86/453151986.db2.gz QRFSBZRKKHAPQJ-UHFFFAOYSA-N 1 3 338.496 1.714 20 0 EDADHO CN(CCN1CCCCC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000650994897 453171889 /nfs/dbraw/zinc/17/18/89/453171889.db2.gz VTYLNLNDLCTHDM-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655073829 453198259 /nfs/dbraw/zinc/19/82/59/453198259.db2.gz GLERMLKLSBLNES-FXAWDEMLSA-N 1 3 343.471 1.081 20 0 EDADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655073829 453198264 /nfs/dbraw/zinc/19/82/64/453198264.db2.gz GLERMLKLSBLNES-FXAWDEMLSA-N 1 3 343.471 1.081 20 0 EDADHO C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CN)C1CC[NH+](C)CC1 ZINC000646189437 453202013 /nfs/dbraw/zinc/20/20/13/453202013.db2.gz IVKLKIWWTNXHQF-KBXCAEBGSA-N 1 3 330.476 1.984 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334755 453222528 /nfs/dbraw/zinc/22/25/28/453222528.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 1 3 349.519 1.256 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334755 453222533 /nfs/dbraw/zinc/22/25/33/453222533.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 1 3 349.519 1.256 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCCCO1 ZINC000664598250 453232845 /nfs/dbraw/zinc/23/28/45/453232845.db2.gz GGHCJVYGVUDUNQ-XHSDSOJGSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCCCO1 ZINC000664598250 453232853 /nfs/dbraw/zinc/23/28/53/453232853.db2.gz GGHCJVYGVUDUNQ-XHSDSOJGSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662559288 453287698 /nfs/dbraw/zinc/28/76/98/453287698.db2.gz WNMUYYHLSPLVCN-KDOFPFPSSA-N 1 3 327.428 1.599 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)CC12CCOCC2 ZINC000662572006 453297781 /nfs/dbraw/zinc/29/77/81/453297781.db2.gz VNESRFGSYMWICC-WBVHZDCISA-N 1 3 329.444 1.435 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648867911 453343197 /nfs/dbraw/zinc/34/31/97/453343197.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 1 3 345.487 1.422 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648867911 453343203 /nfs/dbraw/zinc/34/32/03/453343203.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 1 3 345.487 1.422 20 0 EDADHO CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000664754917 453376209 /nfs/dbraw/zinc/37/62/09/453376209.db2.gz MPQKUXFGOMDOHI-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000664754917 453376218 /nfs/dbraw/zinc/37/62/18/453376218.db2.gz MPQKUXFGOMDOHI-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO O=C1C[C@@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536288 453381481 /nfs/dbraw/zinc/38/14/81/453381481.db2.gz GAJXUFKWIZTFRS-MOPGFXCFSA-N 1 3 342.487 1.015 20 0 EDADHO O=C1C[C@@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536288 453381491 /nfs/dbraw/zinc/38/14/91/453381491.db2.gz GAJXUFKWIZTFRS-MOPGFXCFSA-N 1 3 342.487 1.015 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000653214068 453403519 /nfs/dbraw/zinc/40/35/19/453403519.db2.gz FMBUEKFXJVMNCA-FRQCXROJSA-N 1 3 331.460 1.555 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662687740 453408414 /nfs/dbraw/zinc/40/84/14/453408414.db2.gz JKKQGGCXOOYCJF-HOTGVXAUSA-N 1 3 345.487 1.952 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692580 453412812 /nfs/dbraw/zinc/41/28/12/453412812.db2.gz PSSYBWQUNFXZAN-IPMKNSEASA-N 1 3 345.487 1.940 20 0 EDADHO C[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@H]1CC[NH3+] ZINC000653240442 453423757 /nfs/dbraw/zinc/42/37/57/453423757.db2.gz NXUNCDWWYLSGSL-IRXDYDNUSA-N 1 3 337.508 1.997 20 0 EDADHO [NH3+][C@H]1C[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000662742349 453469947 /nfs/dbraw/zinc/46/99/47/453469947.db2.gz SYDFBROMHMJWSM-CTYIDZIISA-N 1 3 335.423 1.522 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678485 453508297 /nfs/dbraw/zinc/50/82/97/453508297.db2.gz VFEBFQNEDNNMFX-IBGZPJMESA-N 1 3 335.492 1.180 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445688 453532200 /nfs/dbraw/zinc/53/22/00/453532200.db2.gz ISKDTZBNNGDMGG-LPHOPBHVSA-N 1 3 331.460 1.633 20 0 EDADHO CC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000660786240 453573974 /nfs/dbraw/zinc/57/39/74/453573974.db2.gz IUPNKPBSMBVWFE-HKUYNNGSSA-N 1 3 346.519 1.822 20 0 EDADHO CC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000660786240 453573978 /nfs/dbraw/zinc/57/39/78/453573978.db2.gz IUPNKPBSMBVWFE-HKUYNNGSSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000660822809 453587471 /nfs/dbraw/zinc/58/74/71/453587471.db2.gz AFMAGBXFVFHYBW-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659034557 453591681 /nfs/dbraw/zinc/59/16/81/453591681.db2.gz OGGLPFDYCZCKAH-YOEHRIQHSA-N 1 3 332.448 1.811 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659034557 453591685 /nfs/dbraw/zinc/59/16/85/453591685.db2.gz OGGLPFDYCZCKAH-YOEHRIQHSA-N 1 3 332.448 1.811 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659105601 453637852 /nfs/dbraw/zinc/63/78/52/453637852.db2.gz RRSIPGQCMJKEFJ-UHFFFAOYSA-N 1 3 344.459 1.335 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036116 453688897 /nfs/dbraw/zinc/68/88/97/453688897.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036116 453688901 /nfs/dbraw/zinc/68/89/01/453688901.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035876 453689355 /nfs/dbraw/zinc/68/93/55/453689355.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035876 453689360 /nfs/dbraw/zinc/68/93/60/453689360.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1ccccc1 ZINC000665637427 453777776 /nfs/dbraw/zinc/77/77/76/453777776.db2.gz CQSDFQOWUYVGFT-RDJZCZTQSA-N 1 3 336.480 1.291 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)c1ccccc1 ZINC000665637427 453777778 /nfs/dbraw/zinc/77/77/78/453777778.db2.gz CQSDFQOWUYVGFT-RDJZCZTQSA-N 1 3 336.480 1.291 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000684048410 486924930 /nfs/dbraw/zinc/92/49/30/486924930.db2.gz SJKXCHCTYVYNMU-SFHVURJKSA-N 1 3 349.475 1.420 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684117058 486950067 /nfs/dbraw/zinc/95/00/67/486950067.db2.gz WDIWQOUHYKZQLF-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO COCCN1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000684164017 486963629 /nfs/dbraw/zinc/96/36/29/486963629.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000684164017 486963632 /nfs/dbraw/zinc/96/36/32/486963632.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO C[NH+](C)CC1(CNC(=O)Nc2cnc3c(c2)CNCC3)CCCC1 ZINC000667803956 486973642 /nfs/dbraw/zinc/97/36/42/486973642.db2.gz SSOYYWBXNAIADU-UHFFFAOYSA-N 1 3 331.464 1.971 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951423 487028345 /nfs/dbraw/zinc/02/83/45/487028345.db2.gz SRASLNNRDOJSIV-MSOLQXFVSA-N 1 3 333.476 1.906 20 0 EDADHO CN1CCC(O)(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000674040719 487190583 /nfs/dbraw/zinc/19/05/83/487190583.db2.gz QHWXKWVCINUKQB-UHFFFAOYSA-N 1 3 338.496 1.149 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C ZINC000674745696 487307866 /nfs/dbraw/zinc/30/78/66/487307866.db2.gz WWKSDCBXXVQUHA-GOEBONIOSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C ZINC000674745696 487307870 /nfs/dbraw/zinc/30/78/70/487307870.db2.gz WWKSDCBXXVQUHA-GOEBONIOSA-N 1 3 336.484 1.781 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528964 485503545 /nfs/dbraw/zinc/50/35/45/485503545.db2.gz XXXVWUUDBVBCSQ-BVPBIZIASA-N 1 3 328.460 1.524 20 0 EDADHO CC[C@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000669139192 485728709 /nfs/dbraw/zinc/72/87/09/485728709.db2.gz FRHBOSXGIHMBNI-FUHWJXTLSA-N 1 3 348.491 1.896 20 0 EDADHO [NH3+]C/C=C\CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000669397624 486056616 /nfs/dbraw/zinc/05/66/16/486056616.db2.gz MTCUADMWSCZALM-PLNGDYQASA-N 1 3 345.491 1.403 20 0 EDADHO COc1cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)ccc1OCCN(C)C ZINC000180991988 533860445 /nfs/dbraw/zinc/86/04/45/533860445.db2.gz ZNLNPGHLSAZTAP-LJQANCHMSA-N 1 3 349.475 1.784 20 0 EDADHO C[C@@H](N)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169223671 534286523 /nfs/dbraw/zinc/28/65/23/534286523.db2.gz NPOKCZDQPBPFFJ-GFCCVEGCSA-N 1 3 325.840 1.647 20 0 EDADHO C[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000169223671 534286525 /nfs/dbraw/zinc/28/65/25/534286525.db2.gz NPOKCZDQPBPFFJ-GFCCVEGCSA-N 1 3 325.840 1.647 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000168750601 534326301 /nfs/dbraw/zinc/32/63/01/534326301.db2.gz ORDOYXBAJDXUTQ-GOSISDBHSA-N 1 3 348.422 1.152 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638097 536448712 /nfs/dbraw/zinc/44/87/12/536448712.db2.gz ITJAHAIKSQDWQH-UKRRQHHQSA-N 1 3 332.448 1.178 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000164606519 528833774 /nfs/dbraw/zinc/83/37/74/528833774.db2.gz FPIILFQSOSVVRR-GOSISDBHSA-N 1 3 333.476 1.912 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000164606519 528833778 /nfs/dbraw/zinc/83/37/78/528833778.db2.gz FPIILFQSOSVVRR-GOSISDBHSA-N 1 3 333.476 1.912 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333410140 535481321 /nfs/dbraw/zinc/48/13/21/535481321.db2.gz RCFHYLBWKFFLHB-ZACQAIPSSA-N 1 3 338.496 1.399 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212244 535592275 /nfs/dbraw/zinc/59/22/75/535592275.db2.gz OFEQBKSZYCHMNP-BBVFFXRHSA-N 1 3 347.507 1.616 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212244 535592279 /nfs/dbraw/zinc/59/22/79/535592279.db2.gz OFEQBKSZYCHMNP-BBVFFXRHSA-N 1 3 347.507 1.616 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352755193 535698505 /nfs/dbraw/zinc/69/85/05/535698505.db2.gz MCESOVDVIXQNCK-UHFFFAOYSA-N 1 3 332.448 1.249 20 0 EDADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CCNC[C@H]3C)c2)CC1 ZINC000333270293 535752658 /nfs/dbraw/zinc/75/26/58/535752658.db2.gz GADUEWKRXYWKAN-OAHLLOKOSA-N 1 3 331.464 1.654 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262048412 535905834 /nfs/dbraw/zinc/90/58/34/535905834.db2.gz ZICKFLPCLXPLPU-ZCNNSNEGSA-N 1 3 347.503 1.874 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908390 578491708 /nfs/dbraw/zinc/49/17/08/578491708.db2.gz YFPCBCAHNONPBW-MRXNPFEDSA-N 1 3 342.553 1.436 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000746306106 579586127 /nfs/dbraw/zinc/58/61/27/579586127.db2.gz HAHKPGZEEAMFAG-UHFFFAOYSA-N 1 3 346.519 1.959 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@H]1CCCO1 ZINC000751011849 579791175 /nfs/dbraw/zinc/79/11/75/579791175.db2.gz PLVCHSFVRWUEED-JKSUJKDBSA-N 1 3 342.553 1.388 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@H]1CCCO1 ZINC000751011849 579791177 /nfs/dbraw/zinc/79/11/77/579791177.db2.gz PLVCHSFVRWUEED-JKSUJKDBSA-N 1 3 342.553 1.388 20 0 EDADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099514 580113344 /nfs/dbraw/zinc/11/33/44/580113344.db2.gz AEKJHUKZIUUHRP-CYBMUJFWSA-N 1 3 339.509 1.673 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151423 /nfs/dbraw/zinc/15/14/23/580151423.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 1 3 339.524 1.576 20 0 EDADHO CN(CCCN(C)C(=S)NCCC[NH+](C)C)Cc1ccco1 ZINC000795163633 580914838 /nfs/dbraw/zinc/91/48/38/580914838.db2.gz IMBPZDYGFGMVMY-UHFFFAOYSA-N 1 3 326.510 1.860 20 0 EDADHO Cc1cc(N)nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000893119597 590669556 /nfs/dbraw/zinc/66/95/56/590669556.db2.gz VZLULSRNQSLDDU-INIZCTEOSA-N 1 3 327.432 1.936 20 0 EDADHO Cc1cc(N)nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000893119597 590669560 /nfs/dbraw/zinc/66/95/60/590669560.db2.gz VZLULSRNQSLDDU-INIZCTEOSA-N 1 3 327.432 1.936 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1)C1CC1 ZINC000891954757 590705686 /nfs/dbraw/zinc/70/56/86/590705686.db2.gz UURYXNWOSADYOG-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@H]1Cc2ccccc2CN1)C1CC1 ZINC000891954757 590705687 /nfs/dbraw/zinc/70/56/87/590705687.db2.gz UURYXNWOSADYOG-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892098092 590798002 /nfs/dbraw/zinc/79/80/02/590798002.db2.gz XFBYOPGGSQKCCN-GDBMZVCRSA-N 1 3 326.485 1.127 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)N[C@H]3CNCCC3(F)F)CC2)CC1 ZINC000892157491 590829479 /nfs/dbraw/zinc/82/94/79/590829479.db2.gz STMLGWYTQDQWLI-ZDUSSCGKSA-N 1 3 330.423 1.501 20 0 EDADHO CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000892157576 590829567 /nfs/dbraw/zinc/82/95/67/590829567.db2.gz ZANNCLPPDDNPBX-ZDUSSCGKSA-N 1 3 330.423 1.644 20 0 EDADHO CN1CCN(C)CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000888985416 590955963 /nfs/dbraw/zinc/95/59/63/590955963.db2.gz XJNBNLKUFIAKLN-GOSISDBHSA-N 1 3 332.492 1.385 20 0 EDADHO CN1CCC[C@H](CNc2nccc(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421898 591021580 /nfs/dbraw/zinc/02/15/80/591021580.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 1 3 332.496 1.984 20 0 EDADHO CN1CCC[C@H](CNc2nccc(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421898 591021584 /nfs/dbraw/zinc/02/15/84/591021584.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 1 3 332.496 1.984 20 0 EDADHO CN(C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@H]1CCCN(C)C1 ZINC000893742931 591072929 /nfs/dbraw/zinc/07/29/29/591072929.db2.gz MZYCROINRMLWMW-YESZJQIVSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000891659335 591172098 /nfs/dbraw/zinc/17/20/98/591172098.db2.gz DTBOQEXZGOEGAU-HYVNUMGLSA-N 1 3 330.476 1.871 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C[N@@H+]1C1CC1 ZINC000891658913 591172321 /nfs/dbraw/zinc/17/23/21/591172321.db2.gz AUFBNUIOUCRSPY-XYPHTWIQSA-N 1 3 328.460 1.625 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C[N@H+]1C1CC1 ZINC000891658913 591172322 /nfs/dbraw/zinc/17/23/22/591172322.db2.gz AUFBNUIOUCRSPY-XYPHTWIQSA-N 1 3 328.460 1.625 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892797931 591181549 /nfs/dbraw/zinc/18/15/49/591181549.db2.gz UGOJPOCNUFBLFV-LZQZEXGQSA-N 1 3 342.487 1.969 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000892809244 591189003 /nfs/dbraw/zinc/18/90/03/591189003.db2.gz UMGSOWQFXYGEOF-OALUTQOASA-N 1 3 342.487 1.971 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000892817146 591190426 /nfs/dbraw/zinc/19/04/26/591190426.db2.gz AGPCDXOKQMZHQP-HUUCEWRRSA-N 1 3 326.485 1.079 20 0 EDADHO CC1(C)CC[N@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895851820 591287667 /nfs/dbraw/zinc/28/76/67/591287667.db2.gz WRKXIUKYFALXKV-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO CC1(C)CC[N@@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000895851820 591287669 /nfs/dbraw/zinc/28/76/69/591287669.db2.gz WRKXIUKYFALXKV-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900326 591300072 /nfs/dbraw/zinc/30/00/72/591300072.db2.gz FGFOGHHIQJODRZ-QZTJIDSGSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000896117315 591349359 /nfs/dbraw/zinc/34/93/59/591349359.db2.gz LVAOVBUHLLUKCA-IRXDYDNUSA-N 1 3 346.479 1.850 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483237 591489643 /nfs/dbraw/zinc/48/96/43/591489643.db2.gz MRHKKMPRGLBQCP-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO O=C([C@@H]1CCN1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110102 591785867 /nfs/dbraw/zinc/78/58/67/591785867.db2.gz NZLGSYLRXOZYOV-KRWDZBQOSA-N 1 3 335.492 1.356 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000900106622 591909148 /nfs/dbraw/zinc/90/91/48/591909148.db2.gz PHPAEOUMQHZYPE-QUCCMNQESA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000900106622 591909150 /nfs/dbraw/zinc/90/91/50/591909150.db2.gz PHPAEOUMQHZYPE-QUCCMNQESA-N 1 3 345.487 1.787 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900191733 591935288 /nfs/dbraw/zinc/93/52/88/591935288.db2.gz DKJMUKCNVGDUOY-UHFFFAOYSA-N 1 3 342.487 1.858 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940858 /nfs/dbraw/zinc/94/08/58/591940858.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940860 /nfs/dbraw/zinc/94/08/60/591940860.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO Cc1ccc(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000902811264 592069211 /nfs/dbraw/zinc/06/92/11/592069211.db2.gz OYRMSKCUAMUBCZ-JKSUJKDBSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1ccc(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000902811264 592069213 /nfs/dbraw/zinc/06/92/13/592069213.db2.gz OYRMSKCUAMUBCZ-JKSUJKDBSA-N 1 3 346.431 1.604 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCO[C@@]23CCOC3)(N2CCCCC2)CC1 ZINC000903104760 592120991 /nfs/dbraw/zinc/12/09/91/592120991.db2.gz XMLNBTHAWCMYOC-PKOBYXMFSA-N 1 3 337.508 1.474 20 0 EDADHO CCN1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191175 592136558 /nfs/dbraw/zinc/13/65/58/592136558.db2.gz PAYLQMOYOJQXJW-LSDHHAIUSA-N 1 3 345.553 1.947 20 0 EDADHO Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441520 592170703 /nfs/dbraw/zinc/17/07/03/592170703.db2.gz WFBHZCGQWDLMCX-MSOLQXFVSA-N 1 3 344.503 1.987 20 0 EDADHO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903442007 592172334 /nfs/dbraw/zinc/17/23/34/592172334.db2.gz FOJQMSMRCFMLDM-MHORFTMASA-N 1 3 336.524 1.426 20 0 EDADHO C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495885 592187574 /nfs/dbraw/zinc/18/75/74/592187574.db2.gz AZWZDHIURABJKN-MGPQQGTHSA-N 1 3 330.432 1.277 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906646854 592231860 /nfs/dbraw/zinc/23/18/60/592231860.db2.gz YKBBBANCXFZXPC-CQSZACIVSA-N 1 3 346.475 1.667 20 0 EDADHO CCNC(=O)COc1ccc(CN2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904405083 592250365 /nfs/dbraw/zinc/25/03/65/592250365.db2.gz IVSMNQYZVCTYOR-CQSZACIVSA-N 1 3 335.448 1.381 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252230 /nfs/dbraw/zinc/25/22/30/592252230.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252237 /nfs/dbraw/zinc/25/22/37/592252237.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 1 3 336.524 1.345 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904432931 592255984 /nfs/dbraw/zinc/25/59/84/592255984.db2.gz JBYOMIKEBLOJLJ-FUHWJXTLSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904432931 592255989 /nfs/dbraw/zinc/25/59/89/592255989.db2.gz JBYOMIKEBLOJLJ-FUHWJXTLSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904432931 592255992 /nfs/dbraw/zinc/25/59/92/592255992.db2.gz JBYOMIKEBLOJLJ-FUHWJXTLSA-N 1 3 334.508 1.985 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908010152 592261616 /nfs/dbraw/zinc/26/16/16/592261616.db2.gz SJFAKWLGTPXLFP-JXMROGBWSA-N 1 3 331.460 1.849 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904509707 592273339 /nfs/dbraw/zinc/27/33/39/592273339.db2.gz JYWINTUYHBGAKO-DLBZAZTESA-N 1 3 332.448 1.469 20 0 EDADHO CN1CC[C@H](NC(=O)c2ccnn2CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000901236887 592297494 /nfs/dbraw/zinc/29/74/94/592297494.db2.gz ZFHGHJVXUIYALN-FUHWJXTLSA-N 1 3 341.459 1.620 20 0 EDADHO CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763226 592307257 /nfs/dbraw/zinc/30/72/57/592307257.db2.gz IWMPJGGTMCJOKV-DOMZBBRYSA-N 1 3 349.397 1.146 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884637 592362218 /nfs/dbraw/zinc/36/22/18/592362218.db2.gz FMFOIYMHPDPCTD-MAUKXSAKSA-N 1 3 330.476 1.729 20 0 EDADHO Cc1cnn([C@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893278 592366593 /nfs/dbraw/zinc/36/65/93/592366593.db2.gz UIXILZNTAGNSKJ-AEFFLSMTSA-N 1 3 330.480 1.688 20 0 EDADHO Cc1nnc([C@@H]2CCCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898083 592369742 /nfs/dbraw/zinc/36/97/42/592369742.db2.gz IQSMZVCMDOXXRM-ZIAGYGMSSA-N 1 3 330.440 1.009 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199541 592377574 /nfs/dbraw/zinc/37/75/74/592377574.db2.gz GIIFNJYKGSPXSC-IRXDYDNUSA-N 1 3 342.443 1.572 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199541 592377579 /nfs/dbraw/zinc/37/75/79/592377579.db2.gz GIIFNJYKGSPXSC-IRXDYDNUSA-N 1 3 342.443 1.572 20 0 EDADHO CNC(=O)c1cccc(CC[NH2+]C[C@H](CN)Cc2cnn(C)c2C)c1 ZINC000903926854 592380431 /nfs/dbraw/zinc/38/04/31/592380431.db2.gz UYGDISUXEAMQJK-INIZCTEOSA-N 1 3 343.475 1.038 20 0 EDADHO CNC(=O)c1cccc(CCNC[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903926854 592380435 /nfs/dbraw/zinc/38/04/35/592380435.db2.gz UYGDISUXEAMQJK-INIZCTEOSA-N 1 3 343.475 1.038 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931973 592383405 /nfs/dbraw/zinc/38/34/05/592383405.db2.gz KOWBITOIQFDWQB-PBHICJAKSA-N 1 3 343.475 1.212 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931973 592383407 /nfs/dbraw/zinc/38/34/07/592383407.db2.gz KOWBITOIQFDWQB-PBHICJAKSA-N 1 3 343.475 1.212 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+]CCc2cn3c(cccc3C)n2)cnn1C ZINC000903931191 592383883 /nfs/dbraw/zinc/38/38/83/592383883.db2.gz AOPCEXQDAKFAFR-MRXNPFEDSA-N 1 3 340.475 1.634 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNCCc2cn3c(cccc3C)n2)cnn1C ZINC000903931191 592383888 /nfs/dbraw/zinc/38/38/88/592383888.db2.gz AOPCEXQDAKFAFR-MRXNPFEDSA-N 1 3 340.475 1.634 20 0 EDADHO [NH3+]C1CCN(Cc2cn([C@H]3CCN(Cc4ccccc4)C3)nn2)CC1 ZINC000905057872 592395085 /nfs/dbraw/zinc/39/50/85/592395085.db2.gz ZSDHRHVHBXVLGT-IBGZPJMESA-N 1 3 340.475 1.648 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1c[nH]nc1-c1ccsc1)C2 ZINC000903977056 592398910 /nfs/dbraw/zinc/39/89/10/592398910.db2.gz HXSYOVIBQJFANG-VBQJREDUSA-N 1 3 346.456 1.851 20 0 EDADHO CN1CCN(C)CC(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906929726 592413265 /nfs/dbraw/zinc/41/32/65/592413265.db2.gz VSLMTVJNLKNCBN-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000904294883 592470512 /nfs/dbraw/zinc/47/05/12/592470512.db2.gz JSUCYMNSHCTBQK-KSSFIOAISA-N 1 3 332.448 1.891 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000904295421 592470586 /nfs/dbraw/zinc/47/05/86/592470586.db2.gz POIYSFLXJJTION-KBXCAEBGSA-N 1 3 332.448 1.972 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000908524699 592520532 /nfs/dbraw/zinc/52/05/32/592520532.db2.gz HNGXUMRWCBQXKJ-WMZOPIPTSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503251 592546165 /nfs/dbraw/zinc/54/61/65/592546165.db2.gz OESYEJQTWBDUTA-DUQPFJRNSA-N 1 3 328.497 1.089 20 0 EDADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504803 592546818 /nfs/dbraw/zinc/54/68/18/592546818.db2.gz YGJIVLORWBNZDN-IEWDOMPSSA-N 1 3 342.524 1.623 20 0 EDADHO C[C@H](NC(=O)C1CN(C)CCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286461 592584712 /nfs/dbraw/zinc/58/47/12/592584712.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 1 3 336.524 1.249 20 0 EDADHO C[C@H](NC(=O)C1CN(C)CCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286461 592584714 /nfs/dbraw/zinc/58/47/14/592584714.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 1 3 336.524 1.249 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000907878316 592826157 /nfs/dbraw/zinc/82/61/57/592826157.db2.gz QINTYOXMUDCHNJ-QGZVFWFLSA-N 1 3 326.529 1.639 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000906489360 592831083 /nfs/dbraw/zinc/83/10/83/592831083.db2.gz SQERBSKWGPHGNG-ZACQAIPSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000906489360 592831085 /nfs/dbraw/zinc/83/10/85/592831085.db2.gz SQERBSKWGPHGNG-ZACQAIPSSA-N 1 3 325.497 1.676 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000911670474 592975425 /nfs/dbraw/zinc/97/54/25/592975425.db2.gz MHLZNKTUKNSRDL-YVMONPNESA-N 1 3 331.460 1.838 20 0 EDADHO C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000838303005 593153787 /nfs/dbraw/zinc/15/37/87/593153787.db2.gz RCLSASWPZQALDJ-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO CCOC(=O)CC(C)(C)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853113 593225734 /nfs/dbraw/zinc/22/57/34/593225734.db2.gz IVLBDEUHCUAWMO-IRXDYDNUSA-N 1 3 339.524 1.924 20 0 EDADHO CN(C)C[C@@H](NC(=S)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000802721479 593272326 /nfs/dbraw/zinc/27/23/26/593272326.db2.gz VAVLJQNTDUIVMA-CQSZACIVSA-N 1 3 328.913 1.968 20 0 EDADHO COc1ccc([C@H](O)C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)cc1 ZINC000812858051 593511094 /nfs/dbraw/zinc/51/10/94/593511094.db2.gz WSUMAKNDCARKIU-ICSRJNTNSA-N 1 3 348.487 1.897 20 0 EDADHO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000813325835 593526500 /nfs/dbraw/zinc/52/65/00/593526500.db2.gz LPNGQBUWCLOSFA-MAUKXSAKSA-N 1 3 345.487 1.790 20 0 EDADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2)C1=O ZINC000817929519 593649675 /nfs/dbraw/zinc/64/96/75/593649675.db2.gz PLBVDBUBUUIPTE-TXPKVOOTSA-N 1 3 342.443 1.881 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1F ZINC000819172861 593742899 /nfs/dbraw/zinc/74/28/99/593742899.db2.gz GNZXOTFYDFRGPT-RCCFBDPRSA-N 1 3 340.414 1.966 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819387537 593753115 /nfs/dbraw/zinc/75/31/15/593753115.db2.gz AHSQUDBXJMMWST-KRWDZBQOSA-N 1 3 327.419 1.614 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccncc1 ZINC000820068099 593788183 /nfs/dbraw/zinc/78/81/83/593788183.db2.gz HMVZFRKGFSQGJV-INIZCTEOSA-N 1 3 335.496 1.538 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1ccncc1 ZINC000820068099 593788184 /nfs/dbraw/zinc/78/81/84/593788184.db2.gz HMVZFRKGFSQGJV-INIZCTEOSA-N 1 3 335.496 1.538 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189630 593986036 /nfs/dbraw/zinc/98/60/36/593986036.db2.gz QQAKKFFCVBKTTO-KRWDZBQOSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189630 593986038 /nfs/dbraw/zinc/98/60/38/593986038.db2.gz QQAKKFFCVBKTTO-KRWDZBQOSA-N 1 3 344.463 1.799 20 0 EDADHO Cc1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1OCCN(C)C ZINC000822463831 594052449 /nfs/dbraw/zinc/05/24/49/594052449.db2.gz PGTMTSIKMYOFFE-UHFFFAOYSA-N 1 3 349.475 1.985 20 0 EDADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825576290 594202845 /nfs/dbraw/zinc/20/28/45/594202845.db2.gz DCYAAEYRPSIDFX-CZUORRHYSA-N 1 3 332.452 1.874 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956268 594537273 /nfs/dbraw/zinc/53/72/73/594537273.db2.gz LFDBPAIRTLJMNQ-ZIAGYGMSSA-N 1 3 340.855 1.270 20 0 EDADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCN1c1ccncc1 ZINC000829214484 594582587 /nfs/dbraw/zinc/58/25/87/594582587.db2.gz CYAGRBHWITUPLF-OAHLLOKOSA-N 1 3 332.448 1.230 20 0 EDADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@]1(F)CCNC1 ZINC000829225063 594584253 /nfs/dbraw/zinc/58/42/53/594584253.db2.gz BKIUSBNCILDRSF-RGPMPMONSA-N 1 3 331.435 2.000 20 0 EDADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@]1(F)CCNC1 ZINC000829225063 594584255 /nfs/dbraw/zinc/58/42/55/594584255.db2.gz BKIUSBNCILDRSF-RGPMPMONSA-N 1 3 331.435 2.000 20 0 EDADHO C[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674469 /nfs/dbraw/zinc/67/44/69/594674469.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 1 3 336.524 1.486 20 0 EDADHO C[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674470 /nfs/dbraw/zinc/67/44/70/594674470.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 1 3 336.524 1.486 20 0 EDADHO C[C@]1(CNC(=O)NCC[NH2+]C2CC2)CCN(Cc2ccccc2)C1 ZINC000841895294 594975927 /nfs/dbraw/zinc/97/59/27/594975927.db2.gz BZPSPYBYCWYRFA-LJQANCHMSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000841971974 594992736 /nfs/dbraw/zinc/99/27/36/594992736.db2.gz RATJNPHOCAZXHI-UHFFFAOYSA-N 1 3 330.476 1.722 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842012303 595002245 /nfs/dbraw/zinc/00/22/45/595002245.db2.gz ZWJZZAULAHWSDF-ZWKOTPCHSA-N 1 3 332.492 1.930 20 0 EDADHO CN(Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC([NH3+])CC1 ZINC000843354998 595085584 /nfs/dbraw/zinc/08/55/84/595085584.db2.gz IFVYNPPWSKCZMY-UHFFFAOYSA-N 1 3 341.477 1.766 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000834848917 595230330 /nfs/dbraw/zinc/23/03/30/595230330.db2.gz KSVSULIFBMFVGF-AEFFLSMTSA-N 1 3 325.497 1.853 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844202003 595301413 /nfs/dbraw/zinc/30/14/13/595301413.db2.gz HQYVEQZKYROMSB-GOSISDBHSA-N 1 3 334.439 1.848 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406175 595412568 /nfs/dbraw/zinc/41/25/68/595412568.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 1 3 343.471 1.488 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406175 595412571 /nfs/dbraw/zinc/41/25/71/595412571.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 1 3 343.471 1.488 20 0 EDADHO CC(C)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000849055541 595476167 /nfs/dbraw/zinc/47/61/67/595476167.db2.gz JEPSDDBCMHLYHC-UHFFFAOYSA-N 1 3 345.495 1.387 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)COC)c1 ZINC000849061661 595476669 /nfs/dbraw/zinc/47/66/69/595476669.db2.gz WSNRBARNVNBCBW-MRXNPFEDSA-N 1 3 347.463 1.370 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(C)c1 ZINC000849068167 595477513 /nfs/dbraw/zinc/47/75/13/595477513.db2.gz LRAYWZZBHCXSIQ-JKSUJKDBSA-N 1 3 334.464 1.333 20 0 EDADHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)N1CCSCC1 ZINC000849073236 595478209 /nfs/dbraw/zinc/47/82/09/595478209.db2.gz YGJKZTWMNWKFOK-UHFFFAOYSA-N 1 3 348.520 1.167 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501802 595553428 /nfs/dbraw/zinc/55/34/28/595553428.db2.gz AUOGJSBCWSJNQX-KBAYOESNSA-N 1 3 347.507 1.304 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852870527 595590531 /nfs/dbraw/zinc/59/05/31/595590531.db2.gz DGWXDCIJHKGPDA-BMFZPTHFSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852870527 595590533 /nfs/dbraw/zinc/59/05/33/595590533.db2.gz DGWXDCIJHKGPDA-BMFZPTHFSA-N 1 3 330.432 1.117 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873202 595592291 /nfs/dbraw/zinc/59/22/91/595592291.db2.gz QNRYFOWRFUKQGJ-IAGOWNOFSA-N 1 3 332.448 1.131 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NC2CC([NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849613404 595596465 /nfs/dbraw/zinc/59/64/65/595596465.db2.gz QRKVMWRKLDPHHQ-OPQOLIRYSA-N 1 3 347.507 1.443 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@H](CN)C2)C[N@@H+]1Cc1ccccc1 ZINC000852888022 595599546 /nfs/dbraw/zinc/59/95/46/595599546.db2.gz GYLHJKKHAKZHEP-PVAVHDDUSA-N 1 3 344.459 1.507 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@H](CN)C2)C[N@H+]1Cc1ccccc1 ZINC000852888022 595599547 /nfs/dbraw/zinc/59/95/47/595599547.db2.gz GYLHJKKHAKZHEP-PVAVHDDUSA-N 1 3 344.459 1.507 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852893167 595602855 /nfs/dbraw/zinc/60/28/55/595602855.db2.gz GCGUAQAWVMRTGC-MRXNPFEDSA-N 1 3 345.447 1.250 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855346727 595681648 /nfs/dbraw/zinc/68/16/48/595681648.db2.gz KEUSAVKORNXYAN-BBRMVZONSA-N 1 3 341.883 1.762 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000855346727 595681651 /nfs/dbraw/zinc/68/16/51/595681651.db2.gz KEUSAVKORNXYAN-BBRMVZONSA-N 1 3 341.883 1.762 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000858192586 595725426 /nfs/dbraw/zinc/72/54/26/595725426.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000858192586 595725430 /nfs/dbraw/zinc/72/54/30/595725430.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 1 3 336.480 1.166 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccnc(CO)c2)CC1 ZINC000858348000 595771007 /nfs/dbraw/zinc/77/10/07/595771007.db2.gz BZMOYJVIZAQABF-UHFFFAOYSA-N 1 3 348.491 1.638 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851677025 595880864 /nfs/dbraw/zinc/88/08/64/595880864.db2.gz RZFRGOGQCVGOPS-AEFFLSMTSA-N 1 3 336.480 1.025 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000861630118 596051750 /nfs/dbraw/zinc/05/17/50/596051750.db2.gz OXVCEQXXJSWYSX-IBGZPJMESA-N 1 3 348.491 1.434 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000861630760 596052452 /nfs/dbraw/zinc/05/24/52/596052452.db2.gz OXYFFBIMNROATL-QFWMXSHPSA-N 1 3 336.402 1.780 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059584 /nfs/dbraw/zinc/05/95/84/596059584.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 1 3 326.481 1.695 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059588 /nfs/dbraw/zinc/05/95/88/596059588.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 1 3 326.481 1.695 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000866705048 596301329 /nfs/dbraw/zinc/30/13/29/596301329.db2.gz ZSJNAPFNEJZXBC-SFHVURJKSA-N 1 3 346.519 1.449 20 0 EDADHO CCc1ccc(CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866714678 596306492 /nfs/dbraw/zinc/30/64/92/596306492.db2.gz VBELBUXNUBCXHP-KSZLIROESA-N 1 3 329.444 1.658 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC000866723539 596310278 /nfs/dbraw/zinc/31/02/78/596310278.db2.gz FJGHOUUVNIQIRQ-KZNAEPCWSA-N 1 3 330.476 1.232 20 0 EDADHO C[NH+](C)C1(C)CCC(NS(=O)(=O)CCCN2CCCC2)CC1 ZINC000867742253 596528025 /nfs/dbraw/zinc/52/80/25/596528025.db2.gz FVAKKKQIFUWLIM-UHFFFAOYSA-N 1 3 331.526 1.655 20 0 EDADHO Cc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)n(C2CCN(C)CC2)n1 ZINC000868130826 596697241 /nfs/dbraw/zinc/69/72/41/596697241.db2.gz SLHGQVWWKDSZGS-JKSUJKDBSA-N 1 3 346.479 1.816 20 0 EDADHO Cc1[nH]c(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)c(C)c1C=O ZINC000870016279 596708738 /nfs/dbraw/zinc/70/87/38/596708738.db2.gz HFIQUWWBEROHHI-HUUCEWRRSA-N 1 3 334.464 1.255 20 0 EDADHO CC(=O)[C@@H]1C[C@H](C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870020023 596711407 /nfs/dbraw/zinc/71/14/07/596711407.db2.gz ZFZHDRIWIFMSFN-WCXIOVBPSA-N 1 3 337.508 1.436 20 0 EDADHO CC1([NH+]2CCCC2)CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000864062506 596748933 /nfs/dbraw/zinc/74/89/33/596748933.db2.gz RDNZUYJIHBCJMV-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000868298183 596774501 /nfs/dbraw/zinc/77/45/01/596774501.db2.gz QEXHYFAEIKFSAJ-ZDUSSCGKSA-N 1 3 332.448 1.588 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144129 596808844 /nfs/dbraw/zinc/80/88/44/596808844.db2.gz VJTHUAVBARTEMG-BBWFWOEESA-N 1 3 335.492 1.526 20 0 EDADHO C(N[C@]12CCC[C@H]1OCC2)C1(C[NH2+][C@]23CCC[C@H]2OCC3)COC1 ZINC000872314675 596878729 /nfs/dbraw/zinc/87/87/29/596878729.db2.gz BBWVIZLIMKLEQN-FPAYPSAMSA-N 1 3 336.476 1.605 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(Br)n1 ZINC000874382990 597050442 /nfs/dbraw/zinc/05/04/42/597050442.db2.gz YLKAOEJLVROPCT-UHFFFAOYSA-N 1 3 349.298 1.471 20 0 EDADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CN1C1CC1 ZINC000873247068 597238661 /nfs/dbraw/zinc/23/86/61/597238661.db2.gz HSYXOQXBTZQLMT-ZFWWWQNUSA-N 1 3 326.448 1.441 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000873310718 597253164 /nfs/dbraw/zinc/25/31/64/597253164.db2.gz NDYUVAMVNFUUIW-CMPLNLGQSA-N 1 3 348.373 1.046 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)CC1 ZINC000876719363 597303515 /nfs/dbraw/zinc/30/35/15/597303515.db2.gz JIALCGSVHOZEKU-SFHVURJKSA-N 1 3 332.492 1.424 20 0 EDADHO CC1(C)[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C[C@@H]1[NH3+] ZINC000876725088 597306889 /nfs/dbraw/zinc/30/68/89/597306889.db2.gz DTTWMYJJAKFHGV-IRXDYDNUSA-N 1 3 331.460 1.955 20 0 EDADHO CN(CCNC1CC[NH+](CC(C)(C)O)CC1)C(=O)OC(C)(C)C ZINC000876995499 597407244 /nfs/dbraw/zinc/40/72/44/597407244.db2.gz DSOTVRQZYYFHNF-UHFFFAOYSA-N 1 3 329.485 1.678 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877031236 597417263 /nfs/dbraw/zinc/41/72/63/597417263.db2.gz SCZKFNUUUZUVIE-YXJHDRRASA-N 1 3 329.444 1.508 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000879535320 597623795 /nfs/dbraw/zinc/62/37/95/597623795.db2.gz BMDFMRROZSTQHZ-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000879535320 597623797 /nfs/dbraw/zinc/62/37/97/597623797.db2.gz BMDFMRROZSTQHZ-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO CCC1([NH+]2CCCCC2)CCN(CCC(=O)N2CCNCC2)CC1 ZINC000883448167 597750989 /nfs/dbraw/zinc/75/09/89/597750989.db2.gz WCASDXVIIDNYHL-UHFFFAOYSA-N 1 3 336.524 1.539 20 0 EDADHO CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000883628077 597836322 /nfs/dbraw/zinc/83/63/22/597836322.db2.gz ZKPSZGDAJSTZNS-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO O[C@]1(CN2CCC3(CC2)COCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000880548799 597961089 /nfs/dbraw/zinc/96/10/89/597961089.db2.gz CYDGXOVQLPWTES-IBGZPJMESA-N 1 3 346.471 1.505 20 0 EDADHO O[C@]1(CN2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000880548799 597961092 /nfs/dbraw/zinc/96/10/92/597961092.db2.gz CYDGXOVQLPWTES-IBGZPJMESA-N 1 3 346.471 1.505 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3C[NH2+]CC3(C)C)ccc2oc1=O ZINC000884206388 598028192 /nfs/dbraw/zinc/02/81/92/598028192.db2.gz UERAGSVJOPSVLA-CYBMUJFWSA-N 1 3 346.431 1.340 20 0 EDADHO COCCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994132651 696530244 /nfs/dbraw/zinc/53/02/44/696530244.db2.gz KHVQETZIZHCKGX-WBVHZDCISA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCOC1CCC1 ZINC000994250136 696642178 /nfs/dbraw/zinc/64/21/78/696642178.db2.gz IKRQGDJFSDWDSW-WBVHZDCISA-N 1 3 335.492 1.620 20 0 EDADHO Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940007995 700109482 /nfs/dbraw/zinc/10/94/82/700109482.db2.gz CVNDMYQVBLSBFW-CYBMUJFWSA-N 1 3 337.493 1.411 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634488 697307873 /nfs/dbraw/zinc/30/78/73/697307873.db2.gz JLGXMYKDGMPHLJ-PQUAAJSLSA-N 1 3 338.496 1.413 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000940124490 700258304 /nfs/dbraw/zinc/25/83/04/700258304.db2.gz FJUXREHXHNYSPX-IAGOWNOFSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941553589 701578664 /nfs/dbraw/zinc/57/86/64/701578664.db2.gz PCODBMJKKMBKIZ-GOSISDBHSA-N 1 3 338.540 1.447 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1ccccn1 ZINC000939259422 699437274 /nfs/dbraw/zinc/43/72/74/699437274.db2.gz UOVQKXDROLYYHS-MAUKXSAKSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165000 701604876 /nfs/dbraw/zinc/60/48/76/701604876.db2.gz CMNQNBHOLAQMEC-GJZGRUSLSA-N 1 3 332.448 1.453 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC(C)(C)C)C3)CC2)C1 ZINC000941665566 701619508 /nfs/dbraw/zinc/61/95/08/701619508.db2.gz JVMJRTOADSBHCA-MRXNPFEDSA-N 1 3 336.524 1.203 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC(C)(C)C)C3)CC2)C1 ZINC000941665566 701619511 /nfs/dbraw/zinc/61/95/11/701619511.db2.gz JVMJRTOADSBHCA-MRXNPFEDSA-N 1 3 336.524 1.203 20 0 EDADHO CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000940178871 700312875 /nfs/dbraw/zinc/31/28/75/700312875.db2.gz ODYKRKHMHFRGJF-QGZVFWFLSA-N 1 3 347.507 1.858 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)N(C)C ZINC000940307661 700489506 /nfs/dbraw/zinc/48/95/06/700489506.db2.gz WJFBBGVASFULRD-JKSUJKDBSA-N 1 3 325.497 1.580 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328020 700505824 /nfs/dbraw/zinc/50/58/24/700505824.db2.gz CNSPKUZDPHGUEN-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328020 700505825 /nfs/dbraw/zinc/50/58/25/700505825.db2.gz CNSPKUZDPHGUEN-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO Cc1cncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000940356760 700518497 /nfs/dbraw/zinc/51/84/97/700518497.db2.gz XQHRMYQZEDZMOF-UHFFFAOYSA-N 1 3 327.432 1.827 20 0 EDADHO Cc1cc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC000995168908 701667444 /nfs/dbraw/zinc/66/74/44/701667444.db2.gz PUHZVYBOQUFTFP-JKSUJKDBSA-N 1 3 345.491 1.199 20 0 EDADHO Cn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)n1 ZINC000995100968 700890546 /nfs/dbraw/zinc/89/05/46/700890546.db2.gz DUBOHDSZMXNJKQ-JKSUJKDBSA-N 1 3 347.507 1.527 20 0 EDADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975257 /nfs/dbraw/zinc/97/52/57/700975257.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 1 3 349.519 1.866 20 0 EDADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975258 /nfs/dbraw/zinc/97/52/58/700975258.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 1 3 349.519 1.866 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941238243 701428684 /nfs/dbraw/zinc/42/86/84/701428684.db2.gz VXIDRWSMXXQXIU-QGZVFWFLSA-N 1 3 333.476 1.571 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941238243 701428685 /nfs/dbraw/zinc/42/86/85/701428685.db2.gz VXIDRWSMXXQXIU-QGZVFWFLSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1ncoc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518580 706604803 /nfs/dbraw/zinc/60/48/03/706604803.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 1 3 346.475 1.748 20 0 EDADHO Cc1ncoc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518580 706604806 /nfs/dbraw/zinc/60/48/06/706604806.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 1 3 346.475 1.748 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1C ZINC000944442569 702024408 /nfs/dbraw/zinc/02/44/08/702024408.db2.gz DOVVTIOUXXMUKJ-CJNGLKHVSA-N 1 3 334.464 1.514 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1C ZINC000944442569 702024416 /nfs/dbraw/zinc/02/44/16/702024416.db2.gz DOVVTIOUXXMUKJ-CJNGLKHVSA-N 1 3 334.464 1.514 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802759 702047285 /nfs/dbraw/zinc/04/72/85/702047285.db2.gz OHLFZUIPBFHTPA-IAGOWNOFSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802759 702047291 /nfs/dbraw/zinc/04/72/91/702047291.db2.gz OHLFZUIPBFHTPA-IAGOWNOFSA-N 1 3 347.507 1.620 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)c1 ZINC001032207219 702116630 /nfs/dbraw/zinc/11/66/30/702116630.db2.gz HVQJAGRIBGYCMA-LJQANCHMSA-N 1 3 345.487 1.979 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895610 702199133 /nfs/dbraw/zinc/19/91/33/702199133.db2.gz LWSLJDUIULBUSL-DLBZAZTESA-N 1 3 345.491 1.452 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302596 702694850 /nfs/dbraw/zinc/69/48/50/702694850.db2.gz XPABTAHEDALOID-WBVHZDCISA-N 1 3 347.507 1.274 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)N(C)C ZINC000996313550 702701895 /nfs/dbraw/zinc/70/18/95/702701895.db2.gz DVKGALYZFZDRMH-HOTGVXAUSA-N 1 3 335.496 1.129 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)cn1 ZINC001032675791 706694877 /nfs/dbraw/zinc/69/48/77/706694877.db2.gz OOYLCBYTNVCKNI-IRXDYDNUSA-N 1 3 331.464 1.144 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522011 702857539 /nfs/dbraw/zinc/85/75/39/702857539.db2.gz XLJDTTQYEVXIQN-DOTOQJQBSA-N 1 3 330.476 1.750 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522011 702857541 /nfs/dbraw/zinc/85/75/41/702857541.db2.gz XLJDTTQYEVXIQN-DOTOQJQBSA-N 1 3 330.476 1.750 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625216 702928832 /nfs/dbraw/zinc/92/88/32/702928832.db2.gz ZSVQHKOVGAFWMV-OALUTQOASA-N 1 3 343.471 1.630 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625222 702928904 /nfs/dbraw/zinc/92/89/04/702928904.db2.gz ZSVQHKOVGAFWMV-RTBURBONSA-N 1 3 343.471 1.630 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ocnc2C)CC1 ZINC000996647095 702948951 /nfs/dbraw/zinc/94/89/51/702948951.db2.gz XDGNERBPIJUAMS-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ocnc2C)CC1 ZINC000996647095 702948953 /nfs/dbraw/zinc/94/89/53/702948953.db2.gz XDGNERBPIJUAMS-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO COc1cncc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000996667750 702965002 /nfs/dbraw/zinc/96/50/02/702965002.db2.gz XYIWMOMQOIWXRC-UHFFFAOYSA-N 1 3 347.463 1.050 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]CCc3ccns3)CC2)CCC1 ZINC000996666175 702968511 /nfs/dbraw/zinc/96/85/11/702968511.db2.gz PCHYQWBAZHMNOW-UHFFFAOYSA-N 1 3 336.505 1.751 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)on1 ZINC000996859439 703143466 /nfs/dbraw/zinc/14/34/66/703143466.db2.gz SICVPEMHLPJNNG-GOSISDBHSA-N 1 3 346.475 1.938 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997005433 703262696 /nfs/dbraw/zinc/26/26/96/703262696.db2.gz IJNLCPQMFNPBBJ-CQSZACIVSA-N 1 3 348.495 1.029 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCN1C ZINC000921531585 703391911 /nfs/dbraw/zinc/39/19/11/703391911.db2.gz KDVNMKIGFSJEKH-SIXLDLHFSA-N 1 3 338.496 1.146 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000997306633 703565281 /nfs/dbraw/zinc/56/52/81/703565281.db2.gz HDAGRMXIHFAWFF-UHFFFAOYSA-N 1 3 336.867 1.911 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366948 703601135 /nfs/dbraw/zinc/60/11/35/703601135.db2.gz QVYZBJWEADBURI-MAUKXSAKSA-N 1 3 345.491 1.993 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC000997367655 703602209 /nfs/dbraw/zinc/60/22/09/703602209.db2.gz LJSPZZVBPQNKOV-UHFFFAOYSA-N 1 3 334.464 1.940 20 0 EDADHO C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2ccncc2)n1 ZINC001032514211 703907212 /nfs/dbraw/zinc/90/72/12/703907212.db2.gz MXUOPPGUVXMKGP-BPUTZDHNSA-N 1 3 343.406 1.914 20 0 EDADHO C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2ccncc2)n1 ZINC001032514211 703907214 /nfs/dbraw/zinc/90/72/14/703907214.db2.gz MXUOPPGUVXMKGP-BPUTZDHNSA-N 1 3 343.406 1.914 20 0 EDADHO CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997608620 703907533 /nfs/dbraw/zinc/90/75/33/703907533.db2.gz VGQOBBYSNVNWJS-MRXNPFEDSA-N 1 3 348.495 1.029 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803897 704715753 /nfs/dbraw/zinc/71/57/53/704715753.db2.gz NZILDFQYQLEQMQ-ROUUACIJSA-N 1 3 335.492 1.478 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803898 704715758 /nfs/dbraw/zinc/71/57/58/704715758.db2.gz NZILDFQYQLEQMQ-ZWKOTPCHSA-N 1 3 335.492 1.478 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830646 704747805 /nfs/dbraw/zinc/74/78/05/704747805.db2.gz KZXFJXYKFNAHAQ-KRWDZBQOSA-N 1 3 333.480 1.089 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)C1CC1 ZINC000997829766 704748274 /nfs/dbraw/zinc/74/82/74/704748274.db2.gz BZNUESDCDVRVLN-GOSISDBHSA-N 1 3 348.466 1.889 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1)C1CC1 ZINC000997831559 704749719 /nfs/dbraw/zinc/74/97/19/704749719.db2.gz VJFZZJAMPWJKCB-KRWDZBQOSA-N 1 3 333.480 1.089 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092155 705061801 /nfs/dbraw/zinc/06/18/01/705061801.db2.gz PPZGVUVEDXMIPF-QAPCUYQASA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092155 705061804 /nfs/dbraw/zinc/06/18/04/705061804.db2.gz PPZGVUVEDXMIPF-QAPCUYQASA-N 1 3 333.476 1.835 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)ncn1 ZINC000998045949 705241791 /nfs/dbraw/zinc/24/17/91/705241791.db2.gz HILMTYDGDARHFF-GOSISDBHSA-N 1 3 347.507 1.699 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998082502 705309848 /nfs/dbraw/zinc/30/98/48/705309848.db2.gz PZZLIQYQGURSJV-WMZOPIPTSA-N 1 3 337.508 1.726 20 0 EDADHO CCOC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)C1 ZINC001032603287 705427744 /nfs/dbraw/zinc/42/77/44/705427744.db2.gz VSCGOIYVSFUVKG-YCHGYYGWSA-N 1 3 335.492 1.428 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998216652 705539011 /nfs/dbraw/zinc/53/90/11/705539011.db2.gz JNGADWCPFXKEGD-KRWDZBQOSA-N 1 3 347.507 1.399 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998216652 705539017 /nfs/dbraw/zinc/53/90/17/705539017.db2.gz JNGADWCPFXKEGD-KRWDZBQOSA-N 1 3 347.507 1.399 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998284530 705679366 /nfs/dbraw/zinc/67/93/66/705679366.db2.gz DOUBCMMZLSYDAL-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998284530 705679368 /nfs/dbraw/zinc/67/93/68/705679368.db2.gz DOUBCMMZLSYDAL-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000998866631 706296488 /nfs/dbraw/zinc/29/64/88/706296488.db2.gz MSCWXLPPGGVGEF-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000998866631 706296490 /nfs/dbraw/zinc/29/64/90/706296490.db2.gz MSCWXLPPGGVGEF-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC000999834771 707468191 /nfs/dbraw/zinc/46/81/91/707468191.db2.gz VXCYHDUJFXMUKW-UHFFFAOYSA-N 1 3 344.503 1.927 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999050921 706471903 /nfs/dbraw/zinc/47/19/03/706471903.db2.gz OUQSHOSHLDPBMK-UHFFFAOYSA-N 1 3 349.504 1.554 20 0 EDADHO C[C@H](NC1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1cnccn1 ZINC000999052621 706473543 /nfs/dbraw/zinc/47/35/43/706473543.db2.gz ZNEUCTRAANEPKA-FHERZECASA-N 1 3 343.475 1.745 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1)N1CCCCC1 ZINC000999154362 706584414 /nfs/dbraw/zinc/58/44/14/706584414.db2.gz UQCYDRLUESBDJJ-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376390 706870773 /nfs/dbraw/zinc/87/07/73/706870773.db2.gz WBEBXYROGXAZIP-SJORKVTESA-N 1 3 331.464 1.206 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC000999402622 706911082 /nfs/dbraw/zinc/91/10/82/706911082.db2.gz HOXWATPRSWEUMP-ODIFPOPNSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999409764 706919909 /nfs/dbraw/zinc/91/99/09/706919909.db2.gz SMJBJMJOHHVXNG-XGNXJENSSA-N 1 3 337.493 1.267 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999409764 706919910 /nfs/dbraw/zinc/91/99/10/706919910.db2.gz SMJBJMJOHHVXNG-XGNXJENSSA-N 1 3 337.493 1.267 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000999469415 706978395 /nfs/dbraw/zinc/97/83/95/706978395.db2.gz NKGMROYMDQGNPF-UHFFFAOYSA-N 1 3 328.416 1.740 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999469387 706978453 /nfs/dbraw/zinc/97/84/53/706978453.db2.gz LQNONOWNXIWLFD-PREGVCBESA-N 1 3 334.464 1.472 20 0 EDADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276716 707341278 /nfs/dbraw/zinc/34/12/78/707341278.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276716 707341280 /nfs/dbraw/zinc/34/12/80/707341280.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 1 3 335.492 1.428 20 0 EDADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)c2ccccc2CN(C)C)C1)C(N)=O ZINC000999871691 707515046 /nfs/dbraw/zinc/51/50/46/707515046.db2.gz YRCYAFTXZNPAFD-DQPZFDDXSA-N 1 3 346.475 1.205 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2ocnc2C)C1 ZINC000999876510 707523872 /nfs/dbraw/zinc/52/38/72/707523872.db2.gz MTKDWFXJFZPVEH-GPANFISMSA-N 1 3 334.464 1.936 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2ocnc2C)C1 ZINC000999876510 707523875 /nfs/dbraw/zinc/52/38/75/707523875.db2.gz MTKDWFXJFZPVEH-GPANFISMSA-N 1 3 334.464 1.936 20 0 EDADHO CO[C@H](C)CN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423922 707840558 /nfs/dbraw/zinc/84/05/58/707840558.db2.gz VRWADPLNFVABKI-APWZRJJASA-N 1 3 347.503 1.972 20 0 EDADHO CCc1[nH]nc(Cl)c1CN[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921733382 707921175 /nfs/dbraw/zinc/92/11/75/707921175.db2.gz NZPGQBCCPJDREU-GFCCVEGCSA-N 1 3 325.888 1.884 20 0 EDADHO CO[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1)C1CCC1 ZINC001005184567 708111243 /nfs/dbraw/zinc/11/12/43/708111243.db2.gz ODHMVITXZZRLDK-QZTJIDSGSA-N 1 3 337.508 1.819 20 0 EDADHO Cc1noc(CCCN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582393 708265842 /nfs/dbraw/zinc/26/58/42/708265842.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 1 3 349.479 1.185 20 0 EDADHO Cc1noc(CCCN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582393 708265844 /nfs/dbraw/zinc/26/58/44/708265844.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 1 3 349.479 1.185 20 0 EDADHO Cc1cncc(CN2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001002042733 708532841 /nfs/dbraw/zinc/53/28/41/708532841.db2.gz HXCQOBXEHRFPBN-UHFFFAOYSA-N 1 3 342.487 1.814 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005474386 709110500 /nfs/dbraw/zinc/11/05/00/709110500.db2.gz DCVKMNZBIFUPCK-QGZVFWFLSA-N 1 3 348.495 1.075 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005474386 709110501 /nfs/dbraw/zinc/11/05/01/709110501.db2.gz DCVKMNZBIFUPCK-QGZVFWFLSA-N 1 3 348.495 1.075 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439654 710016051 /nfs/dbraw/zinc/01/60/51/710016051.db2.gz WNMREMJTEGCQQR-IRXDYDNUSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439654 710016056 /nfs/dbraw/zinc/01/60/56/710016056.db2.gz WNMREMJTEGCQQR-IRXDYDNUSA-N 1 3 325.497 1.868 20 0 EDADHO COCC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001034439654 710016060 /nfs/dbraw/zinc/01/60/60/710016060.db2.gz WNMREMJTEGCQQR-IRXDYDNUSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626103 710455366 /nfs/dbraw/zinc/45/53/66/710455366.db2.gz MAIRWRHORATGDL-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737026 710948434 /nfs/dbraw/zinc/94/84/34/710948434.db2.gz GUVAMHSCRSMOFG-NBOOPKSLSA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737026 710948435 /nfs/dbraw/zinc/94/84/35/710948435.db2.gz GUVAMHSCRSMOFG-NBOOPKSLSA-N 1 3 347.507 1.618 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001003976980 711147209 /nfs/dbraw/zinc/14/72/09/711147209.db2.gz UWCNOHDDDHZRML-SFHVURJKSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001003976980 711147214 /nfs/dbraw/zinc/14/72/14/711147214.db2.gz UWCNOHDDDHZRML-SFHVURJKSA-N 1 3 345.487 1.601 20 0 EDADHO CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)ccn1 ZINC001034882344 711283184 /nfs/dbraw/zinc/28/31/84/711283184.db2.gz VCXGAVNYMIQZCY-SJORKVTESA-N 1 3 345.491 1.322 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034958866 711432798 /nfs/dbraw/zinc/43/27/98/711432798.db2.gz MVUIUFXYLBLUQS-ZWKOTPCHSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034958866 711432800 /nfs/dbraw/zinc/43/28/00/711432800.db2.gz MVUIUFXYLBLUQS-ZWKOTPCHSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCOC3)C2 ZINC000922385570 711445410 /nfs/dbraw/zinc/44/54/10/711445410.db2.gz JFMZGBDJUAJGAI-NXWXRZEISA-N 1 3 348.491 1.062 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCOC3)C2 ZINC000922385570 711445412 /nfs/dbraw/zinc/44/54/12/711445412.db2.gz JFMZGBDJUAJGAI-NXWXRZEISA-N 1 3 348.491 1.062 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390455 711453921 /nfs/dbraw/zinc/45/39/21/711453921.db2.gz MUPICEFTWJMLMA-GBOPCIDUSA-N 1 3 346.397 1.998 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390455 711453923 /nfs/dbraw/zinc/45/39/23/711453923.db2.gz MUPICEFTWJMLMA-GBOPCIDUSA-N 1 3 346.397 1.998 20 0 EDADHO CC1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004587169 712021568 /nfs/dbraw/zinc/02/15/68/712021568.db2.gz XNHUWVOSCRJMNS-GOSISDBHSA-N 1 3 337.508 1.414 20 0 EDADHO CC1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CCO)CC2)CC1 ZINC001004587169 712021571 /nfs/dbraw/zinc/02/15/71/712021571.db2.gz XNHUWVOSCRJMNS-GOSISDBHSA-N 1 3 337.508 1.414 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458505461 282193081 /nfs/dbraw/zinc/19/30/81/282193081.db2.gz NDKOFRDVAUGTGH-ARFHVFGLSA-N 1 3 326.485 1.005 20 0 EDADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132174383 530032779 /nfs/dbraw/zinc/03/27/79/530032779.db2.gz OUIIAKJKAGXMEJ-ZDUSSCGKSA-N 1 3 327.494 1.833 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000101979680 219177765 /nfs/dbraw/zinc/17/77/65/219177765.db2.gz NNVLSXCKZKGNSN-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000101979680 219177767 /nfs/dbraw/zinc/17/77/67/219177767.db2.gz NNVLSXCKZKGNSN-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316346 539922843 /nfs/dbraw/zinc/92/28/43/539922843.db2.gz QJFNFWLLWYLVQT-GVDBMIGSSA-N 1 3 325.522 1.411 20 0 EDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316346 539922846 /nfs/dbraw/zinc/92/28/46/539922846.db2.gz QJFNFWLLWYLVQT-GVDBMIGSSA-N 1 3 325.522 1.411 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563586761 306340178 /nfs/dbraw/zinc/34/01/78/306340178.db2.gz CMAYAVNBNYPXIX-GOSISDBHSA-N 1 3 343.475 1.834 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)COC)CC2)CC1 ZINC000563823453 306348778 /nfs/dbraw/zinc/34/87/78/306348778.db2.gz TZRHOAZXCUJIIA-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCCN(CCCO)C1 ZINC000563873782 306350962 /nfs/dbraw/zinc/35/09/62/306350962.db2.gz UEIKEJDMYPRBHL-HNNXBMFYSA-N 1 3 332.448 1.301 20 0 EDADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362131 /nfs/dbraw/zinc/36/21/31/306362131.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362132 /nfs/dbraw/zinc/36/21/32/306362132.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+](C[C@H](O)CNC[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723746 306363631 /nfs/dbraw/zinc/36/36/31/306363631.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 1 3 349.544 1.649 20 0 EDADHO C[N@@H+](C[C@H](O)CNC[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723746 306363632 /nfs/dbraw/zinc/36/36/32/306363632.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 1 3 349.544 1.649 20 0 EDADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723746 306363633 /nfs/dbraw/zinc/36/36/33/306363633.db2.gz QSWUYIYPXNQWSC-RTBURBONSA-N 1 3 349.544 1.649 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947671 306370996 /nfs/dbraw/zinc/37/09/96/306370996.db2.gz WNAGDZXLNZDNJA-FCEWJHQRSA-N 1 3 346.475 1.210 20 0 EDADHO COCC[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693562 304128602 /nfs/dbraw/zinc/12/86/02/304128602.db2.gz CFSACCLLTTZHME-SFHVURJKSA-N 1 3 333.476 1.375 20 0 EDADHO COCC[N@@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693562 304128604 /nfs/dbraw/zinc/12/86/04/304128604.db2.gz CFSACCLLTTZHME-SFHVURJKSA-N 1 3 333.476 1.375 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000414699600 304129222 /nfs/dbraw/zinc/12/92/22/304129222.db2.gz JEMYZJODGKUDRX-AWEZNQCLSA-N 1 3 332.448 1.193 20 0 EDADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702416 304129983 /nfs/dbraw/zinc/12/99/83/304129983.db2.gz WXUZLFIWKKPHQI-OWCLPIDISA-N 1 3 339.480 1.108 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707556 304130735 /nfs/dbraw/zinc/13/07/35/304130735.db2.gz PUMMRTQLGWZUDW-ZDUSSCGKSA-N 1 3 330.432 1.219 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000414794541 304141206 /nfs/dbraw/zinc/14/12/06/304141206.db2.gz FXIQXHMEBDJVQA-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415107137 304160542 /nfs/dbraw/zinc/16/05/42/304160542.db2.gz KJIIURNPDYNPMJ-IBGZPJMESA-N 1 3 346.519 1.768 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000415143216 304164030 /nfs/dbraw/zinc/16/40/30/304164030.db2.gz SGQPVAONKSQUAV-GDBMZVCRSA-N 1 3 334.439 1.191 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000415145176 304164838 /nfs/dbraw/zinc/16/48/38/304164838.db2.gz VWZVVWHHOOPHTF-UKRRQHHQSA-N 1 3 330.432 1.040 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000236793864 139031697 /nfs/dbraw/zinc/03/16/97/139031697.db2.gz OQEMVYXARSZLCN-IBGZPJMESA-N 1 3 346.519 1.828 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602692 139055478 /nfs/dbraw/zinc/05/54/78/139055478.db2.gz ZZIMEWQCEXFNAT-IYBDPMFKSA-N 1 3 337.508 1.724 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CCc1ccccc1 ZINC000248547402 139167139 /nfs/dbraw/zinc/16/71/39/139167139.db2.gz FEIUHHSRWKHXIX-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CCc1ccccc1 ZINC000248547402 139167140 /nfs/dbraw/zinc/16/71/40/139167140.db2.gz FEIUHHSRWKHXIX-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415412300 304216668 /nfs/dbraw/zinc/21/66/68/304216668.db2.gz MOMKPTSLCBPTBI-OAHLLOKOSA-N 1 3 346.475 1.235 20 0 EDADHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCCO1 ZINC000249271789 139190024 /nfs/dbraw/zinc/19/00/24/139190024.db2.gz BJZJGEOQZYILHC-RCCFBDPRSA-N 1 3 333.476 1.953 20 0 EDADHO Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000261637943 139213310 /nfs/dbraw/zinc/21/33/10/139213310.db2.gz DPNYUYBDHIXJHY-GJZGRUSLSA-N 1 3 336.505 1.840 20 0 EDADHO CCN(CC)[C@H](CNC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000261631293 139212780 /nfs/dbraw/zinc/21/27/80/139212780.db2.gz HJKXOHYKGYLQCH-GOSISDBHSA-N 1 3 333.476 1.954 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 ZINC000261687340 139217552 /nfs/dbraw/zinc/21/75/52/139217552.db2.gz IQSXVSFCXPFABV-CYBMUJFWSA-N 1 3 329.366 1.992 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCOCC1 ZINC000261774393 139224976 /nfs/dbraw/zinc/22/49/76/139224976.db2.gz MPTZPTVSBDLZRI-MSOLQXFVSA-N 1 3 331.460 1.694 20 0 EDADHO Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)n(C2CCN(C)CC2)n1 ZINC000261956676 139239974 /nfs/dbraw/zinc/23/99/74/139239974.db2.gz QXEOJBHPZZFXPQ-OAHLLOKOSA-N 1 3 331.464 1.786 20 0 EDADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262044844 139246231 /nfs/dbraw/zinc/24/62/31/139246231.db2.gz YYUSSUMHCPFQFT-VAMGGRTRSA-N 1 3 347.503 1.874 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000262298384 139267840 /nfs/dbraw/zinc/26/78/40/139267840.db2.gz WZAVURFDPYURML-RDJZCZTQSA-N 1 3 349.450 1.785 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1CCc2ccccc2C1 ZINC000417004533 251126714 /nfs/dbraw/zinc/12/67/14/251126714.db2.gz CNPDEYIMPJFVMY-QGTPRVQTSA-N 1 3 330.476 1.954 20 0 EDADHO CC[C@@H](CNC(=O)N1CCNC[C@@H]1C)N1CCc2ccccc2C1 ZINC000417026213 251139379 /nfs/dbraw/zinc/13/93/79/251139379.db2.gz YOVJDARCXKYYJC-YJBOKZPZSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@@H](CNC(=O)N1CCNC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417026213 251139384 /nfs/dbraw/zinc/13/93/84/251139384.db2.gz YOVJDARCXKYYJC-YJBOKZPZSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@@H](CNC(=O)N1CCNC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000417026213 251139387 /nfs/dbraw/zinc/13/93/87/251139387.db2.gz YOVJDARCXKYYJC-YJBOKZPZSA-N 1 3 330.476 1.827 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417204073 251146636 /nfs/dbraw/zinc/14/66/36/251146636.db2.gz ZRFSTDLGTCGSGH-FGTMMUONSA-N 1 3 332.492 1.976 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417555143 251186803 /nfs/dbraw/zinc/18/68/03/251186803.db2.gz XOMKQAHGTRVWOO-INIZCTEOSA-N 1 3 334.464 1.180 20 0 EDADHO COCC1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262413156 139277393 /nfs/dbraw/zinc/27/73/93/139277393.db2.gz SXCSLZDKADRADZ-INIZCTEOSA-N 1 3 333.476 1.639 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827803 251287134 /nfs/dbraw/zinc/28/71/34/251287134.db2.gz OCVBUXMWQHURJW-ZBFHGGJFSA-N 1 3 328.526 1.631 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418165196 251350933 /nfs/dbraw/zinc/35/09/33/251350933.db2.gz IFDAJMDREDYKIK-GOSISDBHSA-N 1 3 348.491 1.942 20 0 EDADHO C[C@H](NC(=O)NCc1ccncc1OCCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000418196283 251354832 /nfs/dbraw/zinc/35/48/32/251354832.db2.gz RAGPFLRBCBGQAD-LSDHHAIUSA-N 1 3 349.479 1.209 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418406657 251365587 /nfs/dbraw/zinc/36/55/87/251365587.db2.gz SAWRBYLZUFSJTK-UHFFFAOYSA-N 1 3 339.528 1.315 20 0 EDADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418526837 251375767 /nfs/dbraw/zinc/37/57/67/251375767.db2.gz OREAUBDVJCHPKU-QGZVFWFLSA-N 1 3 345.491 1.959 20 0 EDADHO CN(C(=O)CCCCCC[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000262652232 139293195 /nfs/dbraw/zinc/29/31/95/139293195.db2.gz RPXPAHIOKAVBMP-UHFFFAOYSA-N 1 3 335.496 1.715 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000262655754 139293627 /nfs/dbraw/zinc/29/36/27/139293627.db2.gz UISSBYDVFHJTCX-AHCXZYCDSA-N 1 3 337.508 1.852 20 0 EDADHO C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262665938 139294664 /nfs/dbraw/zinc/29/46/64/139294664.db2.gz JQWBDHQJBFHYTR-LPHOPBHVSA-N 1 3 345.487 1.893 20 0 EDADHO COCc1cccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331615 251677529 /nfs/dbraw/zinc/67/75/29/251677529.db2.gz RAULGZJDUAUDLC-RTBURBONSA-N 1 3 345.487 1.771 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262885627 139310520 /nfs/dbraw/zinc/31/05/20/139310520.db2.gz WKHBVRZQWDQFRP-GOSISDBHSA-N 1 3 346.519 1.828 20 0 EDADHO CCN1CCN(Cc2ccc(CN[C@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888656 252011995 /nfs/dbraw/zinc/01/19/95/252011995.db2.gz DMSJMTMQIFITPT-XLIONFOSSA-N 1 3 330.520 1.912 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422897752 252015169 /nfs/dbraw/zinc/01/51/69/252015169.db2.gz COPHPJXGWARLMB-IAGOWNOFSA-N 1 3 339.505 1.731 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000423074163 252035385 /nfs/dbraw/zinc/03/53/85/252035385.db2.gz KVGQSNAPQBWAPN-DGCLKSJQSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1CNC1 ZINC000423074163 252035388 /nfs/dbraw/zinc/03/53/88/252035388.db2.gz KVGQSNAPQBWAPN-DGCLKSJQSA-N 1 3 327.266 1.798 20 0 EDADHO CN(CCN[C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094569 252036989 /nfs/dbraw/zinc/03/69/89/252036989.db2.gz KKMBGBZOTQKVSF-DOMZBBRYSA-N 1 3 329.441 1.163 20 0 EDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423179337 252044386 /nfs/dbraw/zinc/04/43/86/252044386.db2.gz MALNMKLQLIHIRJ-KRWDZBQOSA-N 1 3 327.476 1.877 20 0 EDADHO CC[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907973 252018487 /nfs/dbraw/zinc/01/84/87/252018487.db2.gz CMUCODGUHBQUHW-RTBURBONSA-N 1 3 346.519 1.988 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423787905 252074263 /nfs/dbraw/zinc/07/42/63/252074263.db2.gz RIJSHHUUXRLIOR-IBGZPJMESA-N 1 3 338.455 1.984 20 0 EDADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000424147638 252143624 /nfs/dbraw/zinc/14/36/24/252143624.db2.gz RXINHKDXVUOPGE-JKSUJKDBSA-N 1 3 337.851 1.647 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424150634 252145136 /nfs/dbraw/zinc/14/51/36/252145136.db2.gz DOXLOVAMPQEEHD-AWEZNQCLSA-N 1 3 325.416 1.410 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424229488 252172429 /nfs/dbraw/zinc/17/24/29/252172429.db2.gz XIDRHIQTPGIOPP-DLBZAZTESA-N 1 3 335.496 1.575 20 0 EDADHO COc1ccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285210 252190667 /nfs/dbraw/zinc/19/06/67/252190667.db2.gz FOVBCVOPLBXJTG-HNNXBMFYSA-N 1 3 331.460 1.775 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424479838 252248246 /nfs/dbraw/zinc/24/82/46/252248246.db2.gz OXWJNJVTWCVJBF-OKZBNKHCSA-N 1 3 328.460 1.512 20 0 EDADHO [NH3+][C@H](CC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000263338596 139336844 /nfs/dbraw/zinc/33/68/44/139336844.db2.gz OGWLGVAYXKQPLU-GOSISDBHSA-N 1 3 331.460 1.647 20 0 EDADHO COC[C@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000153744213 533112542 /nfs/dbraw/zinc/11/25/42/533112542.db2.gz ZDCRCDJPCBIHAG-GOSISDBHSA-N 1 3 335.492 1.704 20 0 EDADHO CC1CCC(N2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471644649 255015238 /nfs/dbraw/zinc/01/52/38/255015238.db2.gz NRMQZELLZMQXGC-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637542 285244254 /nfs/dbraw/zinc/24/42/54/285244254.db2.gz YTXVOOCXWUVWQA-QWHCGFSZSA-N 1 3 338.418 1.995 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637542 285244255 /nfs/dbraw/zinc/24/42/55/285244255.db2.gz YTXVOOCXWUVWQA-QWHCGFSZSA-N 1 3 338.418 1.995 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000489494924 255068760 /nfs/dbraw/zinc/06/87/60/255068760.db2.gz IEDDIFGJCFGNJY-IIAWOOMASA-N 1 3 328.526 1.596 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@@H](C)C1 ZINC000494485302 255252371 /nfs/dbraw/zinc/25/23/71/255252371.db2.gz LUWDTSXGIPQPQT-MAUKXSAKSA-N 1 3 335.492 1.920 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000264306756 139395637 /nfs/dbraw/zinc/39/56/37/139395637.db2.gz YJLQKMZPFXRDOR-KRWDZBQOSA-N 1 3 336.480 1.509 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000271768011 140346981 /nfs/dbraw/zinc/34/69/81/140346981.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 1 3 336.480 1.384 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000271768011 140346982 /nfs/dbraw/zinc/34/69/82/140346982.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 1 3 336.480 1.384 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000333186066 141277917 /nfs/dbraw/zinc/27/79/17/141277917.db2.gz SXMAJMKQUGWTKD-ZWKOTPCHSA-N 1 3 343.475 1.995 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333260052 141289078 /nfs/dbraw/zinc/28/90/78/141289078.db2.gz ISGYSONTLDAWQJ-IXDOHACOSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481111 141324419 /nfs/dbraw/zinc/32/44/19/141324419.db2.gz CBXQCJMYNORVAY-HLLBOEOZSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333521244 141331116 /nfs/dbraw/zinc/33/11/16/141331116.db2.gz GRPAADYLNCAEOR-AEFFLSMTSA-N 1 3 343.475 1.691 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333853423 141394557 /nfs/dbraw/zinc/39/45/57/141394557.db2.gz OBEJVEJSIIVRAN-ATLSCFEFSA-N 1 3 337.508 1.994 20 0 EDADHO CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339610822 142092894 /nfs/dbraw/zinc/09/28/94/142092894.db2.gz HMXJDIXEAUSIHD-JKSUJKDBSA-N 1 3 340.512 1.066 20 0 EDADHO CCN1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000339669068 142114031 /nfs/dbraw/zinc/11/40/31/142114031.db2.gz NRKMSDJNLDAGOE-UHFFFAOYSA-N 1 3 340.512 1.212 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339851168 142177434 /nfs/dbraw/zinc/17/74/34/142177434.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 1 3 341.544 1.288 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339851168 142177436 /nfs/dbraw/zinc/17/74/36/142177436.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 1 3 341.544 1.288 20 0 EDADHO C[C@H]1CN(CCC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000340693992 142460865 /nfs/dbraw/zinc/46/08/65/142460865.db2.gz CKEGMZOMNNXBQT-ROUUACIJSA-N 1 3 339.524 1.530 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)N(C)C1 ZINC000346619259 143222586 /nfs/dbraw/zinc/22/25/86/143222586.db2.gz KRRYUQYLABCTOX-GVDBMIGSSA-N 1 3 340.512 1.469 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986798 143268759 /nfs/dbraw/zinc/26/87/59/143268759.db2.gz LMWWCWHZSDGXGG-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO Cn1c(CN2CCC[C@H](C(=O)NCC[NH3+])C2)nc2ccc(Cl)cc21 ZINC000347014895 143271562 /nfs/dbraw/zinc/27/15/62/143271562.db2.gz AMZNWKJHXWOHIL-LBPRGKRZSA-N 1 3 349.866 1.514 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416848821 304351793 /nfs/dbraw/zinc/35/17/93/304351793.db2.gz WZZQWLZOZSVELY-MSOLQXFVSA-N 1 3 348.491 1.747 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104757 286064361 /nfs/dbraw/zinc/06/43/61/286064361.db2.gz YQJYIOGRWMJXCO-ZACQAIPSSA-N 1 3 327.513 1.970 20 0 EDADHO CCC[NH+]1CCC(N2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 ZINC000369929502 155238537 /nfs/dbraw/zinc/23/85/37/155238537.db2.gz UCFZYBLLPXLTQQ-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416968509 304357044 /nfs/dbraw/zinc/35/70/44/304357044.db2.gz JHECJSRRACOYIK-DLBZAZTESA-N 1 3 348.491 1.944 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000416971694 304357773 /nfs/dbraw/zinc/35/77/73/304357773.db2.gz DPBGDBFQTNDGFO-WBVHZDCISA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000416977404 304359594 /nfs/dbraw/zinc/35/95/94/304359594.db2.gz SWPHNNALBBTIDO-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416976433 304359336 /nfs/dbraw/zinc/35/93/36/304359336.db2.gz OCMZJBPPWUIHRL-GOSISDBHSA-N 1 3 330.476 1.826 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]1 ZINC000416980717 304360894 /nfs/dbraw/zinc/36/08/94/304360894.db2.gz ZFHWZLSEXPKAQD-GOEBONIOSA-N 1 3 334.464 1.567 20 0 EDADHO CCOC(=O)[C@@](C)(O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355068570 150102366 /nfs/dbraw/zinc/10/23/66/150102366.db2.gz ZVSKFTZMTVWQIF-SFHVURJKSA-N 1 3 326.481 1.889 20 0 EDADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000355176727 150153403 /nfs/dbraw/zinc/15/34/03/150153403.db2.gz VVMIMEJQNPLWLL-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO COCC1(CNC(=O)N[C@@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000417028584 304362151 /nfs/dbraw/zinc/36/21/51/304362151.db2.gz OPFAXOZHDTZDSL-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000416986216 304361920 /nfs/dbraw/zinc/36/19/20/304361920.db2.gz IYHAGGPITSEFKT-INIZCTEOSA-N 1 3 347.507 1.313 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000417044672 304366025 /nfs/dbraw/zinc/36/60/25/304366025.db2.gz NIJFGWICQILFGV-KBPBESRZSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CNCCC1(F)F ZINC000417044672 304366026 /nfs/dbraw/zinc/36/60/26/304366026.db2.gz NIJFGWICQILFGV-KBPBESRZSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@@H]1CNCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417118791 304374300 /nfs/dbraw/zinc/37/43/00/304374300.db2.gz SCXHBADDSRFFSN-CQSZACIVSA-N 1 3 326.510 1.351 20 0 EDADHO CSC1(CNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC[NH+](C)CC1 ZINC000360699687 152159586 /nfs/dbraw/zinc/15/95/86/152159586.db2.gz ZCXLFYWXWDPDAJ-HNNXBMFYSA-N 1 3 340.537 1.692 20 0 EDADHO c1ccc(C[NH+]2C[C@@H]3CN(CCN4CCCOCC4)C[C@H]3C2)cc1 ZINC000361397925 152382063 /nfs/dbraw/zinc/38/20/63/152382063.db2.gz ZHCDOBNMJSQQAB-PMACEKPBSA-N 1 3 329.488 1.773 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160190 304379168 /nfs/dbraw/zinc/37/91/68/304379168.db2.gz YCYILUHFYHLQGJ-KRWDZBQOSA-N 1 3 347.507 1.625 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC000362884765 152844592 /nfs/dbraw/zinc/84/45/92/152844592.db2.gz DHNWALXTBVYULI-UHFFFAOYSA-N 1 3 333.476 1.713 20 0 EDADHO N[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000364196789 153170482 /nfs/dbraw/zinc/17/04/82/153170482.db2.gz RMQAKGKFTDRQMC-LDBAOPIBSA-N 1 3 331.435 2.000 20 0 EDADHO CN(CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232848 304386361 /nfs/dbraw/zinc/38/63/61/304386361.db2.gz QRAFHDYJJPOGEH-KSZLIROESA-N 1 3 330.476 1.887 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273131 154061830 /nfs/dbraw/zinc/06/18/30/154061830.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273131 154061832 /nfs/dbraw/zinc/06/18/32/154061832.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367273131 154061838 /nfs/dbraw/zinc/06/18/38/154061838.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367273131 154061842 /nfs/dbraw/zinc/06/18/42/154061842.db2.gz AJQUMYRFCXONIR-WMZOPIPTSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000417359310 304394956 /nfs/dbraw/zinc/39/49/56/304394956.db2.gz ILSSMXDAFWBQER-HOCLYGCPSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H](C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)N1CCN(C)CC1 ZINC000372060005 156229702 /nfs/dbraw/zinc/22/97/02/156229702.db2.gz CHWVTPLERGSIMQ-YDZRNGNQSA-N 1 3 338.540 1.101 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000417524779 304403270 /nfs/dbraw/zinc/40/32/70/304403270.db2.gz KTUDLHUVCYSJPF-MRXNPFEDSA-N 1 3 334.464 1.302 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000417547245 304404682 /nfs/dbraw/zinc/40/46/82/304404682.db2.gz ODQYGULLHVFKFY-CYBMUJFWSA-N 1 3 348.438 1.172 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000377963326 158040936 /nfs/dbraw/zinc/04/09/36/158040936.db2.gz UZXRQEKOHIBIGQ-UHFFFAOYSA-N 1 3 341.496 1.106 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000377963326 158040938 /nfs/dbraw/zinc/04/09/38/158040938.db2.gz UZXRQEKOHIBIGQ-UHFFFAOYSA-N 1 3 341.496 1.106 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000378422085 158169433 /nfs/dbraw/zinc/16/94/33/158169433.db2.gz AQZUXZLZDXEOFI-ZBFHGGJFSA-N 1 3 335.496 1.528 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000126566544 286740095 /nfs/dbraw/zinc/74/00/95/286740095.db2.gz IFSLAPOHWMGMRA-JYJNAYRXSA-N 1 3 340.512 1.022 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000352141037 162008729 /nfs/dbraw/zinc/00/87/29/162008729.db2.gz PWVKYGQMUNPACW-GDBMZVCRSA-N 1 3 326.485 1.127 20 0 EDADHO CC[NH2+]CCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418177980 304460231 /nfs/dbraw/zinc/46/02/31/304460231.db2.gz IDCXYKXOGXLBEX-UHFFFAOYSA-N 1 3 334.464 1.568 20 0 EDADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000072759269 287256618 /nfs/dbraw/zinc/25/66/18/287256618.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 1 3 346.475 1.920 20 0 EDADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000072759269 287256619 /nfs/dbraw/zinc/25/66/19/287256619.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 1 3 346.475 1.920 20 0 EDADHO [NH3+]C1(CNC(=O)NCCCNCc2cccnc2)CCCCCC1 ZINC000418287855 304474780 /nfs/dbraw/zinc/47/47/80/304474780.db2.gz VFOHHEINGVFSIQ-UHFFFAOYSA-N 1 3 333.480 1.912 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000166453192 226159212 /nfs/dbraw/zinc/15/92/12/226159212.db2.gz YIWVITKXLWTBNG-SJORKVTESA-N 1 3 346.475 1.112 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418390422 304489929 /nfs/dbraw/zinc/48/99/29/304489929.db2.gz XGJMWEKBNLALEX-GOSISDBHSA-N 1 3 332.492 1.944 20 0 EDADHO CCC(=O)Nc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131428854 287510092 /nfs/dbraw/zinc/51/00/92/287510092.db2.gz LUELJXHMGOAMBY-UHFFFAOYSA-N 1 3 349.479 1.992 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000237186735 267925821 /nfs/dbraw/zinc/92/58/21/267925821.db2.gz IIBKNDXIWZUSIH-INIZCTEOSA-N 1 3 332.492 1.802 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](CN)C(F)(F)F)CC(C)C ZINC000655911883 452667201 /nfs/dbraw/zinc/66/72/01/452667201.db2.gz IFBAETJAKDVVKM-NWDGAFQWSA-N 1 3 326.407 1.932 20 0 EDADHO C[C@H](NCC1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280902452 273412874 /nfs/dbraw/zinc/41/28/74/273412874.db2.gz FVBRHFGVILSDOM-AWEZNQCLSA-N 1 3 340.489 1.855 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CCN(C)C ZINC000284462322 274210698 /nfs/dbraw/zinc/21/06/98/274210698.db2.gz NMNHAQKCGMVLGY-UHFFFAOYSA-N 1 3 348.491 1.163 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CCN(C)C ZINC000284462322 274210699 /nfs/dbraw/zinc/21/06/99/274210699.db2.gz NMNHAQKCGMVLGY-UHFFFAOYSA-N 1 3 348.491 1.163 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000347499355 276198004 /nfs/dbraw/zinc/19/80/04/276198004.db2.gz KFEQXDJPJRYHMV-GOSISDBHSA-N 1 3 328.460 1.142 20 0 EDADHO CCN(CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000337535852 276322359 /nfs/dbraw/zinc/32/23/59/276322359.db2.gz VVTYGUWDCJUWJM-HZPDHXFCSA-N 1 3 340.512 1.118 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000351815901 276327991 /nfs/dbraw/zinc/32/79/91/276327991.db2.gz STRPTJYHQVIWRV-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383653 /nfs/dbraw/zinc/38/36/53/276383653.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383655 /nfs/dbraw/zinc/38/36/55/276383655.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])OC)N2CCCC2)cc1 ZINC000262819063 277426595 /nfs/dbraw/zinc/42/65/95/277426595.db2.gz GQIHKMIFLTUTHO-DLBZAZTESA-N 1 3 335.448 1.312 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298214 278258032 /nfs/dbraw/zinc/25/80/32/278258032.db2.gz XFDDHFJPGDOZAJ-JKSUJKDBSA-N 1 3 332.492 1.991 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418624336 278547375 /nfs/dbraw/zinc/54/73/75/278547375.db2.gz YYFCDOLPLKWKHU-CVEARBPZSA-N 1 3 340.512 1.157 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417742601 278977376 /nfs/dbraw/zinc/97/73/76/278977376.db2.gz WCOMBVXUOBPBDH-KRWDZBQOSA-N 1 3 332.492 1.758 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361719454 279110162 /nfs/dbraw/zinc/11/01/62/279110162.db2.gz TUVYGGQKLQWFOE-SFHVURJKSA-N 1 3 345.487 1.442 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417758065 279358570 /nfs/dbraw/zinc/35/85/70/279358570.db2.gz UPMQWUAOUGVEEJ-HNNXBMFYSA-N 1 3 327.517 1.077 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCC1 ZINC000361288021 280246108 /nfs/dbraw/zinc/24/61/08/280246108.db2.gz NSKMWYQLUMDNQM-ZACQAIPSSA-N 1 3 338.496 1.269 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287525343 288257684 /nfs/dbraw/zinc/25/76/84/288257684.db2.gz DKOYWRSTVUDGRW-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO C[C@@H](C(=O)NC(N)=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291380680 289047436 /nfs/dbraw/zinc/04/74/36/289047436.db2.gz AZLLGUOUMHEGAK-HNNXBMFYSA-N 1 3 344.459 1.558 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319952 289059050 /nfs/dbraw/zinc/05/90/50/289059050.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319952 289059054 /nfs/dbraw/zinc/05/90/54/289059054.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000339495319 297268325 /nfs/dbraw/zinc/26/83/25/297268325.db2.gz WZEWVEHTPYXFTL-OLZOCXBDSA-N 1 3 338.496 1.011 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418607028 304518354 /nfs/dbraw/zinc/51/83/54/304518354.db2.gz ZXHHTWSRYVRYJD-RHSMWYFYSA-N 1 3 336.455 1.897 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCCCC[NH3+])c1ccccc1 ZINC000419651976 304650803 /nfs/dbraw/zinc/65/08/03/304650803.db2.gz PFHFPSCYFRTRFM-CQSZACIVSA-N 1 3 334.464 1.087 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419656076 304652233 /nfs/dbraw/zinc/65/22/33/304652233.db2.gz UQQJGLQEWUUCJF-GDBMZVCRSA-N 1 3 346.475 1.100 20 0 EDADHO COc1cc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)ccc1O ZINC000414753004 447322556 /nfs/dbraw/zinc/32/25/56/447322556.db2.gz VSWBSRVKQIHOFH-HNNXBMFYSA-N 1 3 347.459 1.563 20 0 EDADHO COc1cc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)ccc1O ZINC000414753004 447322563 /nfs/dbraw/zinc/32/25/63/447322563.db2.gz VSWBSRVKQIHOFH-HNNXBMFYSA-N 1 3 347.459 1.563 20 0 EDADHO CCN1CCN(c2ccccc2CN2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000414766637 447324307 /nfs/dbraw/zinc/32/43/07/447324307.db2.gz IBSGILWAIUTUSY-IBGZPJMESA-N 1 3 334.483 1.962 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CO2 ZINC000296485109 303320014 /nfs/dbraw/zinc/32/00/14/303320014.db2.gz PHABDAFKZWCGHJ-INIZCTEOSA-N 1 3 333.476 1.614 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458377729 447334711 /nfs/dbraw/zinc/33/47/11/447334711.db2.gz WLFCPNKRNULELF-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1(C[NH3+])CC1 ZINC000423648711 304903308 /nfs/dbraw/zinc/90/33/08/304903308.db2.gz RSEHGMJVETXXJC-UHFFFAOYSA-N 1 3 325.403 1.984 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989012 305003080 /nfs/dbraw/zinc/00/30/80/305003080.db2.gz RDBCYUQXPHEJRM-PBHICJAKSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989012 305003081 /nfs/dbraw/zinc/00/30/81/305003081.db2.gz RDBCYUQXPHEJRM-PBHICJAKSA-N 1 3 343.537 1.511 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC[C@H]2CCCO2)[C@@H](C)C1 ZINC000430702921 305062901 /nfs/dbraw/zinc/06/29/01/305062901.db2.gz DEXMIPLHERFDDO-BBWFWOEESA-N 1 3 341.496 1.008 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC[C@H]2CCCO2)[C@@H](C)C1 ZINC000430702921 305062902 /nfs/dbraw/zinc/06/29/02/305062902.db2.gz DEXMIPLHERFDDO-BBWFWOEESA-N 1 3 341.496 1.008 20 0 EDADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034224 305073304 /nfs/dbraw/zinc/07/33/04/305073304.db2.gz NJCSQKXEWDAOOT-OAHLLOKOSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453803 305109454 /nfs/dbraw/zinc/10/94/54/305109454.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453803 305109455 /nfs/dbraw/zinc/10/94/55/305109455.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443066160 305234430 /nfs/dbraw/zinc/23/44/30/305234430.db2.gz DMZNDKDYDUBGNE-CABCVRRESA-N 1 3 349.475 1.942 20 0 EDADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000449243465 305309348 /nfs/dbraw/zinc/30/93/48/305309348.db2.gz KZSCHZZGKAGNNP-FXAWDEMLSA-N 1 3 331.504 1.738 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000449334544 305311905 /nfs/dbraw/zinc/31/19/05/305311905.db2.gz FHIYHZLSUDQPTC-DNVCBOLYSA-N 1 3 345.487 1.879 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000414913019 447354535 /nfs/dbraw/zinc/35/45/35/447354535.db2.gz VNEQLMFODNXCOU-CQSZACIVSA-N 1 3 344.459 1.071 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000414913019 447354542 /nfs/dbraw/zinc/35/45/42/447354542.db2.gz VNEQLMFODNXCOU-CQSZACIVSA-N 1 3 344.459 1.071 20 0 EDADHO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)N(C)C ZINC000516857098 305742874 /nfs/dbraw/zinc/74/28/74/305742874.db2.gz QWLCZGLFLWUVCR-UAGQMJEPSA-N 1 3 334.464 1.356 20 0 EDADHO C[NH+]1CCC(CCNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000103320319 441180520 /nfs/dbraw/zinc/18/05/20/441180520.db2.gz MRXSFXCJIUPPMY-UHFFFAOYSA-N 1 3 331.464 1.645 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(O)CC1 ZINC000080565235 441180536 /nfs/dbraw/zinc/18/05/36/441180536.db2.gz UIQADMYDCVPAEU-CGZBRXJRSA-N 1 3 340.512 1.347 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(O)CC1 ZINC000080565235 441180537 /nfs/dbraw/zinc/18/05/37/441180537.db2.gz UIQADMYDCVPAEU-CGZBRXJRSA-N 1 3 340.512 1.347 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000073653544 441339977 /nfs/dbraw/zinc/33/99/77/441339977.db2.gz IGXODDVCFCGUNO-IAGOWNOFSA-N 1 3 341.544 1.290 20 0 EDADHO COCCN(C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073288319 441307452 /nfs/dbraw/zinc/30/74/52/441307452.db2.gz MHAKKBTZZQYBRJ-UHFFFAOYSA-N 1 3 334.464 1.301 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074846665 441471764 /nfs/dbraw/zinc/47/17/64/441471764.db2.gz PEVABOYYEIOVAV-INIZCTEOSA-N 1 3 334.508 1.987 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074846665 441471766 /nfs/dbraw/zinc/47/17/66/441471766.db2.gz PEVABOYYEIOVAV-INIZCTEOSA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000159028928 441781908 /nfs/dbraw/zinc/78/19/08/441781908.db2.gz NAZGDNYXRNUFJA-MRXNPFEDSA-N 1 3 340.512 1.469 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000077574200 441808295 /nfs/dbraw/zinc/80/82/95/441808295.db2.gz PGKQALGZJHMJAT-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@](C)(CO)C2CCCCC2)CC1 ZINC000077656303 441823609 /nfs/dbraw/zinc/82/36/09/441823609.db2.gz DXAWMENHQVCZHL-LJQANCHMSA-N 1 3 339.524 1.896 20 0 EDADHO CN1CCC(O)(CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000077838508 441876277 /nfs/dbraw/zinc/87/62/77/441876277.db2.gz RRGJIRCPYSKWHT-UHFFFAOYSA-N 1 3 340.512 1.399 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC000174181631 441899866 /nfs/dbraw/zinc/89/98/66/441899866.db2.gz NEQPEANABKBDKY-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC000174181631 441899871 /nfs/dbraw/zinc/89/98/71/441899871.db2.gz NEQPEANABKBDKY-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO O=C(NCCNC1CC[NH+](CCc2ccccc2)CC1)c1ccn[nH]1 ZINC000162289533 442080984 /nfs/dbraw/zinc/08/09/84/442080984.db2.gz DKCPATUSLCVSRX-UHFFFAOYSA-N 1 3 341.459 1.436 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175736180 442113368 /nfs/dbraw/zinc/11/33/68/442113368.db2.gz OIQHQNRKZYKNQI-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000126658109 442130893 /nfs/dbraw/zinc/13/08/93/442130893.db2.gz DTIBQONDEHUUCK-UHFFFAOYSA-N 1 3 345.491 1.067 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)nc1 ZINC000126366409 442104300 /nfs/dbraw/zinc/10/43/00/442104300.db2.gz YWHICONJYKBFKJ-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCN1CCCC1 ZINC000176084962 442172792 /nfs/dbraw/zinc/17/27/92/442172792.db2.gz FHESUTZBLIEKHW-UHFFFAOYSA-N 1 3 332.448 1.207 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000163307712 442157893 /nfs/dbraw/zinc/15/78/93/442157893.db2.gz GLTXDILLFCBSCW-KBPBESRZSA-N 1 3 325.478 1.587 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000166932962 442219135 /nfs/dbraw/zinc/21/91/35/442219135.db2.gz PQQKSNRKYKXPDQ-QGZVFWFLSA-N 1 3 331.460 1.972 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC000128679535 442281788 /nfs/dbraw/zinc/28/17/88/442281788.db2.gz BZIPAHVMDVQIRJ-RTBURBONSA-N 1 3 344.503 1.893 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153788676 442303289 /nfs/dbraw/zinc/30/32/89/442303289.db2.gz MMXLJFCXBDTEQM-INIZCTEOSA-N 1 3 346.475 1.453 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000153788676 442303293 /nfs/dbraw/zinc/30/32/93/442303293.db2.gz MMXLJFCXBDTEQM-INIZCTEOSA-N 1 3 346.475 1.453 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000171200913 442327031 /nfs/dbraw/zinc/32/70/31/442327031.db2.gz USRCNEDCDWQBEA-HOTGVXAUSA-N 1 3 342.528 1.620 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3cscn3)CC2)CC1 ZINC000171291568 442339190 /nfs/dbraw/zinc/33/91/90/442339190.db2.gz ZUDVOEBKNIWOPB-UHFFFAOYSA-N 1 3 336.505 1.751 20 0 EDADHO COc1cc(CNC(=O)C[C@@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000130495944 442347503 /nfs/dbraw/zinc/34/75/03/442347503.db2.gz INFDTVQZSPOYBQ-HNNXBMFYSA-N 1 3 335.448 1.251 20 0 EDADHO C[C@@H](Cc1ccccc1F)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153992808 442315007 /nfs/dbraw/zinc/31/50/07/442315007.db2.gz WTWKCBAEQNPEIW-HNNXBMFYSA-N 1 3 338.471 1.892 20 0 EDADHO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000155673546 442418034 /nfs/dbraw/zinc/41/80/34/442418034.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 1 3 340.475 1.479 20 0 EDADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000155673546 442418035 /nfs/dbraw/zinc/41/80/35/442418035.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 1 3 340.475 1.479 20 0 EDADHO COc1cc(CNC(=O)C[C@@H]2CCC[NH2+]2)ccc1OCCN(C)C ZINC000178720282 442463656 /nfs/dbraw/zinc/46/36/56/442463656.db2.gz FJKFUYYDTMGJMO-HNNXBMFYSA-N 1 3 335.448 1.394 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134923631 442537312 /nfs/dbraw/zinc/53/73/12/442537312.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 1 3 348.491 1.656 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134923631 442537313 /nfs/dbraw/zinc/53/73/13/442537313.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 1 3 348.491 1.656 20 0 EDADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840043 442694445 /nfs/dbraw/zinc/69/44/45/442694445.db2.gz ZTGATISOFODOEE-WMLDXEAASA-N 1 3 343.537 1.511 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840043 442694448 /nfs/dbraw/zinc/69/44/48/442694448.db2.gz ZTGATISOFODOEE-WMLDXEAASA-N 1 3 343.537 1.511 20 0 EDADHO CCN(CCO)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000187345456 442671091 /nfs/dbraw/zinc/67/10/91/442671091.db2.gz XSFMYUQELWSONG-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000188202498 442723933 /nfs/dbraw/zinc/72/39/33/442723933.db2.gz AQGYYXFDCIZNGI-DAYGRLMNSA-N 1 3 325.497 1.613 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000188202498 442723935 /nfs/dbraw/zinc/72/39/35/442723935.db2.gz AQGYYXFDCIZNGI-DAYGRLMNSA-N 1 3 325.497 1.613 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604894 442842567 /nfs/dbraw/zinc/84/25/67/442842567.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604894 442842570 /nfs/dbraw/zinc/84/25/70/442842570.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194449989 442898323 /nfs/dbraw/zinc/89/83/23/442898323.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 1 3 348.491 1.122 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194449989 442898326 /nfs/dbraw/zinc/89/83/26/442898326.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 1 3 348.491 1.122 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000183214582 442905380 /nfs/dbraw/zinc/90/53/80/442905380.db2.gz YAPSEFSNIJJYTO-MRXNPFEDSA-N 1 3 346.475 1.580 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000265779736 442917628 /nfs/dbraw/zinc/91/76/28/442917628.db2.gz VBDBQCVMROWGED-GOSISDBHSA-N 1 3 348.491 1.481 20 0 EDADHO CC[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530950 442938652 /nfs/dbraw/zinc/93/86/52/442938652.db2.gz VZWOHGNPJVZFSE-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO CN(c1ccccc1CN[C@@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000268362195 442961140 /nfs/dbraw/zinc/96/11/40/442961140.db2.gz PWWSXAWZLZWYKE-MRXNPFEDSA-N 1 3 330.476 1.537 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000195138870 442988701 /nfs/dbraw/zinc/98/87/01/442988701.db2.gz QIFVFNHZCKJORV-UHFFFAOYSA-N 1 3 326.485 1.272 20 0 EDADHO CN(CCCNCc1c(F)cncc1Br)CC[NH+](C)C ZINC000623087392 450398463 /nfs/dbraw/zinc/39/84/63/450398463.db2.gz PCPCQUHGFWCEAU-UHFFFAOYSA-N 1 3 347.276 1.956 20 0 EDADHO CCn1ccnc(N2CCC(N[C@H]3CC[N@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528088 443041579 /nfs/dbraw/zinc/04/15/79/443041579.db2.gz FBDFCCQEZIOYSW-WBVHZDCISA-N 1 3 347.507 1.552 20 0 EDADHO CCn1ccnc(N2CCC(N[C@H]3CC[N@@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528088 443041583 /nfs/dbraw/zinc/04/15/83/443041583.db2.gz FBDFCCQEZIOYSW-WBVHZDCISA-N 1 3 347.507 1.552 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269222620 443238804 /nfs/dbraw/zinc/23/88/04/443238804.db2.gz ATYSSRXKWLTALV-IBGZPJMESA-N 1 3 345.487 1.578 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1 ZINC000269223671 443238918 /nfs/dbraw/zinc/23/89/18/443238918.db2.gz BGULYBYSPCZDPU-MOPGFXCFSA-N 1 3 347.503 1.824 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453197 319134681 /nfs/dbraw/zinc/13/46/81/319134681.db2.gz PYOYQUIHPRDADJ-FPCVCCKLSA-N 1 3 341.496 1.941 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453197 319134684 /nfs/dbraw/zinc/13/46/84/319134684.db2.gz PYOYQUIHPRDADJ-FPCVCCKLSA-N 1 3 341.496 1.941 20 0 EDADHO CO[C@@H]1[C@H](C)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411785501 319203545 /nfs/dbraw/zinc/20/35/45/319203545.db2.gz CKRRDBUOYWFYSZ-XOKHGSTOSA-N 1 3 325.497 1.625 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205287 319319670 /nfs/dbraw/zinc/31/96/70/319319670.db2.gz XHUUVUVALCAXAO-KZNAEPCWSA-N 1 3 349.519 1.330 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000414692323 319343524 /nfs/dbraw/zinc/34/35/24/319343524.db2.gz AUYFLPQIYUQGHL-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415375002 319362105 /nfs/dbraw/zinc/36/21/05/319362105.db2.gz JPJITKAVDOMJKN-KRWDZBQOSA-N 1 3 344.459 1.479 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@@H](N)Cc2ccccc2)Cc2ccccc2C1 ZINC000269269820 443259650 /nfs/dbraw/zinc/25/96/50/443259650.db2.gz RMCCREIUSBMKKD-IBGZPJMESA-N 1 3 337.467 1.772 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1CN(C)C ZINC000415824325 319375097 /nfs/dbraw/zinc/37/50/97/319375097.db2.gz UXKCMDUWKLQFFB-QGZVFWFLSA-N 1 3 346.475 1.629 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000416166709 319396143 /nfs/dbraw/zinc/39/61/43/319396143.db2.gz NQGNEEMJOJCJCZ-GOSISDBHSA-N 1 3 331.460 1.224 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000416166709 319396145 /nfs/dbraw/zinc/39/61/45/319396145.db2.gz NQGNEEMJOJCJCZ-GOSISDBHSA-N 1 3 331.460 1.224 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000246167906 443274673 /nfs/dbraw/zinc/27/46/73/443274673.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 1 3 341.544 1.290 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000246167906 443274677 /nfs/dbraw/zinc/27/46/77/443274677.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 1 3 341.544 1.290 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCOCC1)c1ccccc1 ZINC000423435173 319774816 /nfs/dbraw/zinc/77/48/16/319774816.db2.gz SHVBNMZLPAFYLX-VPWXQRGCSA-N 1 3 343.471 1.755 20 0 EDADHO O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368393 443565992 /nfs/dbraw/zinc/56/59/92/443565992.db2.gz LHARLKKNIAYSSR-GOSISDBHSA-N 1 3 343.471 1.150 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C[C@@H](C)O1 ZINC000444272055 320124193 /nfs/dbraw/zinc/12/41/93/320124193.db2.gz WBLVUGMTXBLDQY-HBXLWWENSA-N 1 3 349.519 1.724 20 0 EDADHO CCC[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OC ZINC000454457402 320289117 /nfs/dbraw/zinc/28/91/17/320289117.db2.gz OMFAHKLCWVKOPD-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725712 320333598 /nfs/dbraw/zinc/33/35/98/320333598.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725712 320333599 /nfs/dbraw/zinc/33/35/99/320333599.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO Cc1cc(C(=O)NC[C@@H](C)N(C)C)cc(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000291527477 443760136 /nfs/dbraw/zinc/76/01/36/443760136.db2.gz SSIQBFKBYGWOTA-HUUCEWRRSA-N 1 3 348.491 1.355 20 0 EDADHO CCCNC(=O)c1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531357882 320656679 /nfs/dbraw/zinc/65/66/79/320656679.db2.gz KGSRZGWAWSUDQT-UHFFFAOYSA-N 1 3 348.491 1.392 20 0 EDADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccnc1 ZINC000531439269 320660571 /nfs/dbraw/zinc/66/05/71/320660571.db2.gz SMJLOHNHLZHIBK-SFHVURJKSA-N 1 3 349.523 1.956 20 0 EDADHO CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000298934659 443906457 /nfs/dbraw/zinc/90/64/57/443906457.db2.gz NRAVBWPZYJUFIS-SFHVURJKSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987214 321085586 /nfs/dbraw/zinc/08/55/86/321085586.db2.gz QXJUMZSVMXJOEF-BDXSIMOUSA-N 1 3 327.513 1.167 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000563209813 321100316 /nfs/dbraw/zinc/10/03/16/321100316.db2.gz ZNHKASWAZYBADQ-IRXDYDNUSA-N 1 3 332.492 1.831 20 0 EDADHO CC[C@H](CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)OC ZINC000563394581 321108037 /nfs/dbraw/zinc/10/80/37/321108037.db2.gz LICFZRKLICMAHO-QGZVFWFLSA-N 1 3 325.497 1.724 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000564695885 321142291 /nfs/dbraw/zinc/14/22/91/321142291.db2.gz GKNVWVSAOWDKPS-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO COc1ccccc1COC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000565480212 321188370 /nfs/dbraw/zinc/18/83/70/321188370.db2.gz BGUPTPWEYIIEEX-UHFFFAOYSA-N 1 3 333.476 1.581 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567804670 321258649 /nfs/dbraw/zinc/25/86/49/321258649.db2.gz SMNKBFPDDZGWCK-QUCCMNQESA-N 1 3 345.487 1.127 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000567841444 321261510 /nfs/dbraw/zinc/26/15/10/321261510.db2.gz CUIHOXLCKFLIGD-SQNIBIBYSA-N 1 3 331.460 1.474 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(O)CCC3)CC2)CC1 ZINC000568219910 321282076 /nfs/dbraw/zinc/28/20/76/321282076.db2.gz CDWUARFJAARMLP-UHFFFAOYSA-N 1 3 337.508 1.604 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC=C(COC)CC3)CC2)CC1 ZINC000568291223 321286462 /nfs/dbraw/zinc/28/64/62/321286462.db2.gz CLOCTYFUQVDJIG-UHFFFAOYSA-N 1 3 349.519 1.988 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCC2)ccc1C[NH+](C)C ZINC000571263122 321380845 /nfs/dbraw/zinc/38/08/45/321380845.db2.gz JQYSUMMBLYWXNX-HNNXBMFYSA-N 1 3 346.475 1.596 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(N)=O)cc1 ZINC000289447046 444146386 /nfs/dbraw/zinc/14/63/86/444146386.db2.gz MRRPMCOSRUQJDN-GOSISDBHSA-N 1 3 332.492 1.633 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(N)=O)cc1 ZINC000289447046 444146387 /nfs/dbraw/zinc/14/63/87/444146387.db2.gz MRRPMCOSRUQJDN-GOSISDBHSA-N 1 3 332.492 1.633 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000290204185 444254423 /nfs/dbraw/zinc/25/44/23/444254423.db2.gz RQIFSCLOSDQLLH-MSOLQXFVSA-N 1 3 333.476 1.674 20 0 EDADHO CCN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)S(C)(=O)=O ZINC000316447827 444310884 /nfs/dbraw/zinc/31/08/84/444310884.db2.gz FWQSOKDBVBAPKU-OWCLPIDISA-N 1 3 331.526 1.558 20 0 EDADHO CCN(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447827 444310886 /nfs/dbraw/zinc/31/08/86/444310886.db2.gz FWQSOKDBVBAPKU-OWCLPIDISA-N 1 3 331.526 1.558 20 0 EDADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255525 444374493 /nfs/dbraw/zinc/37/44/93/444374493.db2.gz HCPNCSDACMERSX-IFIJOSMWSA-N 1 3 337.489 1.784 20 0 EDADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255525 444374494 /nfs/dbraw/zinc/37/44/94/444374494.db2.gz HCPNCSDACMERSX-IFIJOSMWSA-N 1 3 337.489 1.784 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CNCc2ccccc21 ZINC000578765317 321828342 /nfs/dbraw/zinc/82/83/42/321828342.db2.gz SJYMZTISJBRPDK-SFHVURJKSA-N 1 3 343.471 1.635 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340478069 444394359 /nfs/dbraw/zinc/39/43/59/444394359.db2.gz ZORDGUQTKXVAIG-IBGZPJMESA-N 1 3 347.503 1.749 20 0 EDADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000579942169 321988230 /nfs/dbraw/zinc/98/82/30/321988230.db2.gz GXNTUOYCSJHZPN-HGQUKEQDSA-N 1 3 345.443 1.713 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000580573922 322070712 /nfs/dbraw/zinc/07/07/12/322070712.db2.gz SIYLAXFRRVKRCB-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000581304663 322161461 /nfs/dbraw/zinc/16/14/61/322161461.db2.gz WINVWPIWROPICU-UONOGXRCSA-N 1 3 343.518 1.490 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000581365032 322168596 /nfs/dbraw/zinc/16/85/96/322168596.db2.gz AGLMEDBVWDJFKL-SJORKVTESA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000581365032 322168599 /nfs/dbraw/zinc/16/85/99/322168599.db2.gz AGLMEDBVWDJFKL-SJORKVTESA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365032 322168601 /nfs/dbraw/zinc/16/86/01/322168601.db2.gz AGLMEDBVWDJFKL-SJORKVTESA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000581381594 322171491 /nfs/dbraw/zinc/17/14/91/322171491.db2.gz NPJARAAXFUSPQM-HNNXBMFYSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000581381594 322171494 /nfs/dbraw/zinc/17/14/94/322171494.db2.gz NPJARAAXFUSPQM-HNNXBMFYSA-N 1 3 332.448 1.320 20 0 EDADHO CC[NH2+]CCCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000581656772 322204265 /nfs/dbraw/zinc/20/42/65/322204265.db2.gz OIPYRQDWAKWAIE-UHFFFAOYSA-N 1 3 348.491 1.442 20 0 EDADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H](C1CC1)N1CCCC1 ZINC000332862758 444576824 /nfs/dbraw/zinc/57/68/24/444576824.db2.gz XNOBURBZEPWFQV-QRVBRYPASA-N 1 3 349.519 1.745 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000340956077 444596343 /nfs/dbraw/zinc/59/63/43/444596343.db2.gz QXJNGHMSAKGWDG-DOTOQJQBSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000340956077 444596345 /nfs/dbraw/zinc/59/63/45/444596345.db2.gz QXJNGHMSAKGWDG-DOTOQJQBSA-N 1 3 348.491 1.909 20 0 EDADHO CCN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332979153 444619754 /nfs/dbraw/zinc/61/97/54/444619754.db2.gz KNSWQUMXAYKBOE-IRXDYDNUSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919647 444668563 /nfs/dbraw/zinc/66/85/63/444668563.db2.gz GXELZUDWBDMLJE-KZNAEPCWSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919843 444669699 /nfs/dbraw/zinc/66/96/99/444669699.db2.gz IDFLXYCQGFHSEQ-MAUKXSAKSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN1C ZINC000333440287 444671218 /nfs/dbraw/zinc/67/12/18/444671218.db2.gz VZKJZMRUPMQYPC-LBZRDPAVSA-N 1 3 334.508 1.922 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333466930 444673649 /nfs/dbraw/zinc/67/36/49/444673649.db2.gz ACACAXNPXMQJFX-RFZNHBKKSA-N 1 3 342.487 1.886 20 0 EDADHO COCCCN(C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341112837 444680230 /nfs/dbraw/zinc/68/02/30/444680230.db2.gz CANVZADKIOZKLD-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021312 444636475 /nfs/dbraw/zinc/63/64/75/444636475.db2.gz SUQNUEARYRYIGV-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021312 444636478 /nfs/dbraw/zinc/63/64/78/444636478.db2.gz SUQNUEARYRYIGV-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CCN(C)CC1 ZINC000343885507 444646018 /nfs/dbraw/zinc/64/60/18/444646018.db2.gz HCKAXDKCGIOHBC-CRAIPNDOSA-N 1 3 342.491 1.426 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CCN(C)CC1 ZINC000343885507 444646020 /nfs/dbraw/zinc/64/60/20/444646020.db2.gz HCKAXDKCGIOHBC-CRAIPNDOSA-N 1 3 342.491 1.426 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(CCc2cccc(F)c2F)CC1 ZINC000342713442 444830174 /nfs/dbraw/zinc/83/01/74/444830174.db2.gz AYFSYMLSRSGVIM-UHFFFAOYSA-N 1 3 339.430 1.897 20 0 EDADHO CC(C)COC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338939492 444945086 /nfs/dbraw/zinc/94/50/86/444945086.db2.gz CNUIWWIEOGVOES-ZIFCJYIRSA-N 1 3 342.524 1.841 20 0 EDADHO O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000339067290 445016905 /nfs/dbraw/zinc/01/69/05/445016905.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 1 3 329.488 1.840 20 0 EDADHO O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000339067290 445016910 /nfs/dbraw/zinc/01/69/10/445016910.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 1 3 329.488 1.840 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616501 445088127 /nfs/dbraw/zinc/08/81/27/445088127.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616501 445088130 /nfs/dbraw/zinc/08/81/30/445088130.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 1 3 337.508 1.866 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000337340276 445039545 /nfs/dbraw/zinc/03/95/45/445039545.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000337340276 445039547 /nfs/dbraw/zinc/03/95/47/445039547.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138535 /nfs/dbraw/zinc/13/85/35/445138535.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 1 3 344.459 1.532 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138537 /nfs/dbraw/zinc/13/85/37/445138537.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 1 3 344.459 1.532 20 0 EDADHO C[C@@H]1CN(CC[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000337483810 445100688 /nfs/dbraw/zinc/10/06/88/445100688.db2.gz XLVUMJRPBZXJNM-MISYRCLQSA-N 1 3 329.488 1.771 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000343154087 445101021 /nfs/dbraw/zinc/10/10/21/445101021.db2.gz PAOUWYXGMSJGLD-HNNXBMFYSA-N 1 3 348.491 1.252 20 0 EDADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccccn1)C1CC1 ZINC000337516441 445115396 /nfs/dbraw/zinc/11/53/96/445115396.db2.gz QIYTXICXSAMAOW-UHFFFAOYSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccccn1)C1CC1 ZINC000337516441 445115399 /nfs/dbraw/zinc/11/53/99/445115399.db2.gz QIYTXICXSAMAOW-UHFFFAOYSA-N 1 3 333.480 1.639 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342116763 445181223 /nfs/dbraw/zinc/18/12/23/445181223.db2.gz YQXFDBIRBSEJDZ-NUEKZKHPSA-N 1 3 330.432 1.173 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345765211 445198890 /nfs/dbraw/zinc/19/88/90/445198890.db2.gz YYZXYJTVFSYYJG-UXLLHSPISA-N 1 3 340.512 1.203 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)N(C)C1 ZINC000347888140 445254084 /nfs/dbraw/zinc/25/40/84/445254084.db2.gz LZFNONVGBGEBGN-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000348002956 445260673 /nfs/dbraw/zinc/26/06/73/445260673.db2.gz KRCCTVNBJYYMPM-KURKYZTESA-N 1 3 335.492 1.573 20 0 EDADHO C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348516170 445310673 /nfs/dbraw/zinc/31/06/73/445310673.db2.gz QANHKAZBLZYSDO-KANFNMMFSA-N 1 3 341.459 1.718 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000354654187 445328436 /nfs/dbraw/zinc/32/84/36/445328436.db2.gz GFMPOBRJRAWSCK-HOCLYGCPSA-N 1 3 338.496 1.412 20 0 EDADHO CCCCNC(=O)CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000348838094 445409272 /nfs/dbraw/zinc/40/92/72/445409272.db2.gz MCYJRLWTORCFGZ-UHFFFAOYSA-N 1 3 338.540 1.642 20 0 EDADHO C[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260402 445513558 /nfs/dbraw/zinc/51/35/58/445513558.db2.gz VWPNKQDVZNMKNT-XHSDSOJGSA-N 1 3 337.508 1.580 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(CO)c1 ZINC000362696317 445504442 /nfs/dbraw/zinc/50/44/42/445504442.db2.gz XYRZXMNILRCXPP-GOSISDBHSA-N 1 3 333.476 1.667 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(CO)c1 ZINC000362696317 445504444 /nfs/dbraw/zinc/50/44/44/445504444.db2.gz XYRZXMNILRCXPP-GOSISDBHSA-N 1 3 333.476 1.667 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357747518 445579454 /nfs/dbraw/zinc/57/94/54/445579454.db2.gz MDJASMLEXKZEMS-OAHLLOKOSA-N 1 3 342.528 1.904 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357747518 445579459 /nfs/dbraw/zinc/57/94/59/445579459.db2.gz MDJASMLEXKZEMS-OAHLLOKOSA-N 1 3 342.528 1.904 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360393424 445704932 /nfs/dbraw/zinc/70/49/32/445704932.db2.gz CCCGELUQMLXBFZ-HLLBOEOZSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360393424 445704934 /nfs/dbraw/zinc/70/49/34/445704934.db2.gz CCCGELUQMLXBFZ-HLLBOEOZSA-N 1 3 342.553 1.843 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000353698944 445714696 /nfs/dbraw/zinc/71/46/96/445714696.db2.gz ZTFBCWQQWZZETE-UHFFFAOYSA-N 1 3 335.452 1.262 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000353698944 445714701 /nfs/dbraw/zinc/71/47/01/445714701.db2.gz ZTFBCWQQWZZETE-UHFFFAOYSA-N 1 3 335.452 1.262 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000358698560 445724909 /nfs/dbraw/zinc/72/49/09/445724909.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 1 3 326.485 1.007 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000358698560 445724913 /nfs/dbraw/zinc/72/49/13/445724913.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000360889367 445737750 /nfs/dbraw/zinc/73/77/50/445737750.db2.gz MSRHJNHJTQOHDE-ULQDDVLXSA-N 1 3 338.496 1.223 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000360889367 445737753 /nfs/dbraw/zinc/73/77/53/445737753.db2.gz MSRHJNHJTQOHDE-ULQDDVLXSA-N 1 3 338.496 1.223 20 0 EDADHO CN1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825678 /nfs/dbraw/zinc/82/56/78/445825678.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 1 3 330.476 1.856 20 0 EDADHO CN1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825681 /nfs/dbraw/zinc/82/56/81/445825681.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 1 3 330.476 1.856 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)nnn3C)C1 ZINC000354087599 445893940 /nfs/dbraw/zinc/89/39/40/445893940.db2.gz CYKHJKSQRTWOTR-INIZCTEOSA-N 1 3 331.464 1.901 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364644241 445942157 /nfs/dbraw/zinc/94/21/57/445942157.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364644241 445942160 /nfs/dbraw/zinc/94/21/60/445942160.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 1 3 328.501 1.205 20 0 EDADHO O=C(Nc1ccc(F)cc1)NC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000583204155 326025961 /nfs/dbraw/zinc/02/59/61/326025961.db2.gz FIRJGMNIUBDKLT-UHFFFAOYSA-N 1 3 349.454 1.317 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000359249140 446082762 /nfs/dbraw/zinc/08/27/62/446082762.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000359249140 446082770 /nfs/dbraw/zinc/08/27/70/446082770.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000369654233 446139815 /nfs/dbraw/zinc/13/98/15/446139815.db2.gz KRBVPULYFIJLGX-HOCLYGCPSA-N 1 3 348.495 2.096 20 0 EDADHO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)[C@@H](C)C1 ZINC000369654414 446140131 /nfs/dbraw/zinc/14/01/31/446140131.db2.gz LIVCSTXTOOFYHB-HOCLYGCPSA-N 1 3 348.495 2.000 20 0 EDADHO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)[C@@H](C)C1 ZINC000369654414 446140135 /nfs/dbraw/zinc/14/01/35/446140135.db2.gz LIVCSTXTOOFYHB-HOCLYGCPSA-N 1 3 348.495 2.000 20 0 EDADHO CC[N@H+](CCNC(=O)C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000365534460 446244037 /nfs/dbraw/zinc/24/40/37/446244037.db2.gz FKUOXTBGLREUNL-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@@H+](CCNC(=O)C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000365534460 446244042 /nfs/dbraw/zinc/24/40/42/446244042.db2.gz FKUOXTBGLREUNL-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498340 446231446 /nfs/dbraw/zinc/23/14/46/446231446.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498340 446231450 /nfs/dbraw/zinc/23/14/50/446231450.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 1 3 338.496 1.365 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccco1 ZINC000359548562 446285765 /nfs/dbraw/zinc/28/57/65/446285765.db2.gz UWWUTUSEWYRQJZ-XHSDSOJGSA-N 1 3 334.464 1.215 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccco1 ZINC000359548562 446285770 /nfs/dbraw/zinc/28/57/70/446285770.db2.gz UWWUTUSEWYRQJZ-XHSDSOJGSA-N 1 3 334.464 1.215 20 0 EDADHO C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCCN3C3CCOCC3)C2)CC1 ZINC000374149474 446354515 /nfs/dbraw/zinc/35/45/15/446354515.db2.gz AWVPGQOLVLGSJP-SFHVURJKSA-N 1 3 349.519 1.964 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417545324 446364328 /nfs/dbraw/zinc/36/43/28/446364328.db2.gz JDLDRXVKTXDGNK-UHFFFAOYSA-N 1 3 328.501 1.693 20 0 EDADHO C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000417587114 446365062 /nfs/dbraw/zinc/36/50/62/446365062.db2.gz NNNAQFVBAUEQOL-KBAYOESNSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCNCC1 ZINC000417819910 446374358 /nfs/dbraw/zinc/37/43/58/446374358.db2.gz GVYFUDJCLNZUQP-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCCNCC1 ZINC000417819910 446374360 /nfs/dbraw/zinc/37/43/60/446374360.db2.gz GVYFUDJCLNZUQP-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC2CCC([NH3+])CC2)ccn1 ZINC000417954382 446398257 /nfs/dbraw/zinc/39/82/57/446398257.db2.gz QGQKDDNECRPFFN-UHFFFAOYSA-N 1 3 335.452 1.091 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCN(C)C2CC2)ccc1C[NH+](C)C ZINC000411240232 446440028 /nfs/dbraw/zinc/44/00/28/446440028.db2.gz HGNDBDVWEFYAAS-UHFFFAOYSA-N 1 3 332.448 1.206 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000418184995 446451513 /nfs/dbraw/zinc/45/15/13/446451513.db2.gz AHISLZUMSNSPND-VHDGCEQUSA-N 1 3 340.418 1.931 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000420291325 446454862 /nfs/dbraw/zinc/45/48/62/446454862.db2.gz KBOJWMFZNGPIOM-GFCCVEGCSA-N 1 3 343.830 1.645 20 0 EDADHO COCCCOC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420296748 446459483 /nfs/dbraw/zinc/45/94/83/446459483.db2.gz DTEWLGDILJATJG-OALUTQOASA-N 1 3 336.476 1.435 20 0 EDADHO CCCNC(=O)C1CC[NH+](C[C@@H](CN)c2ccc(OC)cc2)CC1 ZINC000420297406 446459635 /nfs/dbraw/zinc/45/96/35/446459635.db2.gz DDCCQDRPAJUFQP-QGZVFWFLSA-N 1 3 333.476 1.976 20 0 EDADHO C[NH2+]CC1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000420305147 446468527 /nfs/dbraw/zinc/46/85/27/446468527.db2.gz YSAJVCZMTTUUIC-GOSISDBHSA-N 1 3 332.492 1.337 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000423333122 446490658 /nfs/dbraw/zinc/49/06/58/446490658.db2.gz DVJQWLXXILRUBG-OWCLPIDISA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423333966 446493181 /nfs/dbraw/zinc/49/31/81/446493181.db2.gz RZQZHHHBDLNWSU-CABCVRRESA-N 1 3 335.496 1.593 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CCCCC1 ZINC000418343113 446508707 /nfs/dbraw/zinc/50/87/07/446508707.db2.gz AMFFWACIHXYKPL-HOTGVXAUSA-N 1 3 326.485 1.040 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000418354688 446512404 /nfs/dbraw/zinc/51/24/04/446512404.db2.gz BCDMPNYEMBYBLE-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000423387314 446512548 /nfs/dbraw/zinc/51/25/48/446512548.db2.gz RYBIHZJGOIEQET-LMMKCTJWSA-N 1 3 331.460 1.564 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342349 446513203 /nfs/dbraw/zinc/51/32/03/446513203.db2.gz QSEJQRZROIDJNF-SOUVJXGZSA-N 1 3 336.480 1.465 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341511 446513638 /nfs/dbraw/zinc/51/36/38/446513638.db2.gz ORPPWZPQBKJCGM-DLBZAZTESA-N 1 3 344.459 1.334 20 0 EDADHO CCC(CC)(CC(=O)OC)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411390541 446515177 /nfs/dbraw/zinc/51/51/77/446515177.db2.gz NMEPQOVIHWQFSW-UHFFFAOYSA-N 1 3 341.496 1.687 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418363264 446515271 /nfs/dbraw/zinc/51/52/71/446515271.db2.gz IAQJRGJVYLJUAY-AWEZNQCLSA-N 1 3 340.418 1.790 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386862 446563784 /nfs/dbraw/zinc/56/37/84/446563784.db2.gz JFSIKSHYHILLCE-VQHPVUNQSA-N 1 3 335.492 1.476 20 0 EDADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346392 446519550 /nfs/dbraw/zinc/51/95/50/446519550.db2.gz WTROUPLCNYQKAK-YTQUADARSA-N 1 3 329.488 1.974 20 0 EDADHO CCOc1ccccc1NC(=O)CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350055 446527319 /nfs/dbraw/zinc/52/73/19/446527319.db2.gz RFXUTNWEXGEWIO-MRXNPFEDSA-N 1 3 346.475 1.393 20 0 EDADHO CN(C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352833 446531157 /nfs/dbraw/zinc/53/11/57/446531157.db2.gz AYBXVOOBTFOWCA-SJORKVTESA-N 1 3 332.492 1.383 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418430899 446540199 /nfs/dbraw/zinc/54/01/99/446540199.db2.gz POPUJBOLTZBQRK-GOSISDBHSA-N 1 3 348.491 1.829 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370579 446549261 /nfs/dbraw/zinc/54/92/61/446549261.db2.gz JPZKRHYOJMLUPI-JFIYKMOQSA-N 1 3 331.460 1.728 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252242 446553195 /nfs/dbraw/zinc/55/31/95/446553195.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 1 3 341.540 1.560 20 0 EDADHO NC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc2ccccc2c1 ZINC000418503843 446570626 /nfs/dbraw/zinc/57/06/26/446570626.db2.gz ZSQGTFVQPUQWBW-ROUUACIJSA-N 1 3 342.443 1.517 20 0 EDADHO O=C(NCC1CC[NH+](CCO)CC1)NC[C@H]1CCCCN1C1CC1 ZINC000434351500 446637513 /nfs/dbraw/zinc/63/75/13/446637513.db2.gz CERRBTFUHUZGLD-QGZVFWFLSA-N 1 3 338.496 1.007 20 0 EDADHO CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418745110 446667134 /nfs/dbraw/zinc/66/71/34/446667134.db2.gz VFWHKBMCTKRXID-LSDHHAIUSA-N 1 3 340.418 1.885 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770333 446696438 /nfs/dbraw/zinc/69/64/38/446696438.db2.gz DCEJJLZURHPXGN-PKOBYXMFSA-N 1 3 345.487 1.878 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786766 446701896 /nfs/dbraw/zinc/70/18/96/446701896.db2.gz JIAOGHZLYVCLBF-INIZCTEOSA-N 1 3 326.485 1.272 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000437792191 446758898 /nfs/dbraw/zinc/75/88/98/446758898.db2.gz KHBZWRWEDLZWPY-MSOLQXFVSA-N 1 3 333.476 1.292 20 0 EDADHO CN(CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003617 446858932 /nfs/dbraw/zinc/85/89/32/446858932.db2.gz QNDNDXMXHOSVAA-IRXDYDNUSA-N 1 3 346.475 1.011 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](CN)CC(C)C)c1 ZINC000419015890 446867855 /nfs/dbraw/zinc/86/78/55/446867855.db2.gz FKJYHFINNBNUNG-KRWDZBQOSA-N 1 3 348.491 1.244 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](CN)CC(C)C)c1 ZINC000419015890 446867862 /nfs/dbraw/zinc/86/78/62/446867862.db2.gz FKJYHFINNBNUNG-KRWDZBQOSA-N 1 3 348.491 1.244 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419020936 446870805 /nfs/dbraw/zinc/87/08/05/446870805.db2.gz GLNPZYLTBJHHHZ-HLLBOEOZSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419020936 446870806 /nfs/dbraw/zinc/87/08/06/446870806.db2.gz GLNPZYLTBJHHHZ-HLLBOEOZSA-N 1 3 346.475 1.039 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000424454320 446875388 /nfs/dbraw/zinc/87/53/88/446875388.db2.gz LJNAKGBOVONIRQ-BBRMVZONSA-N 1 3 332.448 1.237 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000442783510 446968109 /nfs/dbraw/zinc/96/81/09/446968109.db2.gz TYVBAZSOFZLKFV-GHMZBOCLSA-N 1 3 338.839 1.437 20 0 EDADHO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@]1(F)CCNC1 ZINC000372116261 447011235 /nfs/dbraw/zinc/01/12/35/447011235.db2.gz NTSKXXHSWAXDOT-YVEFUNNKSA-N 1 3 335.379 1.236 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158547 446975305 /nfs/dbraw/zinc/97/53/05/446975305.db2.gz WMASRCKTLGCLRI-JKSUJKDBSA-N 1 3 340.512 1.104 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158547 446975308 /nfs/dbraw/zinc/97/53/08/446975308.db2.gz WMASRCKTLGCLRI-JKSUJKDBSA-N 1 3 340.512 1.104 20 0 EDADHO CN(CCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061675 447001228 /nfs/dbraw/zinc/00/12/28/447001228.db2.gz SDJGOSWTTMCIIR-KRWDZBQOSA-N 1 3 332.492 1.690 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372107586 447004902 /nfs/dbraw/zinc/00/49/02/447004902.db2.gz KVBGXBYYBPUUJY-AEFFLSMTSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372107586 447004908 /nfs/dbraw/zinc/00/49/08/447004908.db2.gz KVBGXBYYBPUUJY-AEFFLSMTSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444169969 447085518 /nfs/dbraw/zinc/08/55/18/447085518.db2.gz SESCVQLRGSVGNI-DOTOQJQBSA-N 1 3 337.533 1.854 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000419407152 447156404 /nfs/dbraw/zinc/15/64/04/447156404.db2.gz JRKOXAQGAFCJFH-CABCVRRESA-N 1 3 346.475 1.171 20 0 EDADHO CN1CCN(CC2(C)CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)CC1 ZINC000368820725 447134184 /nfs/dbraw/zinc/13/41/84/447134184.db2.gz GCDPCUVBDGKNFQ-UXHICEINSA-N 1 3 343.515 1.994 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000446060477 447222594 /nfs/dbraw/zinc/22/25/94/447222594.db2.gz JZFZBDSTVPMTIV-UHFFFAOYSA-N 1 3 348.491 1.576 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)C(C)C ZINC000446060477 447222599 /nfs/dbraw/zinc/22/25/99/447222599.db2.gz JZFZBDSTVPMTIV-UHFFFAOYSA-N 1 3 348.491 1.576 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000376046801 447233208 /nfs/dbraw/zinc/23/32/08/447233208.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 1 3 326.481 1.348 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000376046801 447233213 /nfs/dbraw/zinc/23/32/13/447233213.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 1 3 326.481 1.348 20 0 EDADHO C[C@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000379681203 447454192 /nfs/dbraw/zinc/45/41/92/447454192.db2.gz PQQHWMHOZZIOFH-DOTOQJQBSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@H]1C[C@H](NC(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000379681203 447454199 /nfs/dbraw/zinc/45/41/99/447454199.db2.gz PQQHWMHOZZIOFH-DOTOQJQBSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656282 447496245 /nfs/dbraw/zinc/49/62/45/447496245.db2.gz WMFCUKWGFMRDLC-OWCLPIDISA-N 1 3 341.496 1.942 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656282 447496250 /nfs/dbraw/zinc/49/62/50/447496250.db2.gz WMFCUKWGFMRDLC-OWCLPIDISA-N 1 3 341.496 1.942 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390899745 447504950 /nfs/dbraw/zinc/50/49/50/447504950.db2.gz MXTSMMXCOBHBCM-RCCFBDPRSA-N 1 3 331.460 1.521 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000457110032 447519128 /nfs/dbraw/zinc/51/91/28/447519128.db2.gz HJJINTLTWXNISM-QGZVFWFLSA-N 1 3 337.508 1.963 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000457110032 447519130 /nfs/dbraw/zinc/51/91/30/447519130.db2.gz HJJINTLTWXNISM-QGZVFWFLSA-N 1 3 337.508 1.963 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419983169 447529773 /nfs/dbraw/zinc/52/97/73/447529773.db2.gz BUJHJIKDPXGMIT-HOTGVXAUSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503036 447573835 /nfs/dbraw/zinc/57/38/35/447573835.db2.gz JAWMQYLFHNJYJP-LSDHHAIUSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CCN(C2CC2)C1 ZINC000457845182 447647313 /nfs/dbraw/zinc/64/73/13/447647313.db2.gz AFDHOKUHQXDXMT-OAHLLOKOSA-N 1 3 334.508 1.987 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459371607 447647390 /nfs/dbraw/zinc/64/73/90/447647390.db2.gz ILMGVXTYIWVUGG-QGZVFWFLSA-N 1 3 331.508 1.666 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000416558158 447648305 /nfs/dbraw/zinc/64/83/05/447648305.db2.gz OOENSGUCILGJCA-OAHLLOKOSA-N 1 3 339.505 1.758 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000416558158 447648311 /nfs/dbraw/zinc/64/83/11/447648311.db2.gz OOENSGUCILGJCA-OAHLLOKOSA-N 1 3 339.505 1.758 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903637 447702825 /nfs/dbraw/zinc/70/28/25/447702825.db2.gz CNJJWOPDFBOCJM-MAUKXSAKSA-N 1 3 348.491 1.987 20 0 EDADHO CC[NH+](CC)CCCC1CCN(CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459400182 447654153 /nfs/dbraw/zinc/65/41/53/447654153.db2.gz BSUKOLKXBJXEMC-HNNXBMFYSA-N 1 3 338.496 1.761 20 0 EDADHO COc1cc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc(OC)c1 ZINC000422833493 447763284 /nfs/dbraw/zinc/76/32/84/447763284.db2.gz YUVCHJITMZHVTC-URLQWDBASA-N 1 3 336.476 1.833 20 0 EDADHO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@@H]2C)cc(OC)c1 ZINC000422833493 447763291 /nfs/dbraw/zinc/76/32/91/447763291.db2.gz YUVCHJITMZHVTC-URLQWDBASA-N 1 3 336.476 1.833 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417013850 447729585 /nfs/dbraw/zinc/72/95/85/447729585.db2.gz CWZSKRRAUBBLPK-JKSUJKDBSA-N 1 3 338.496 1.258 20 0 EDADHO COC[C@@H](CCC[NH3+])NCc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000422745689 447736672 /nfs/dbraw/zinc/73/66/72/447736672.db2.gz YFPMPHXPQCPZMM-OAHLLOKOSA-N 1 3 343.493 1.217 20 0 EDADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CNCCC1(F)F ZINC000417256001 447738627 /nfs/dbraw/zinc/73/86/27/447738627.db2.gz QSKKQMVPKDQOOP-RQJABVFESA-N 1 3 332.439 1.649 20 0 EDADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CNCCC1(F)F ZINC000417256001 447738631 /nfs/dbraw/zinc/73/86/31/447738631.db2.gz QSKKQMVPKDQOOP-RQJABVFESA-N 1 3 332.439 1.649 20 0 EDADHO O=C1CCCN1CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756897 447741598 /nfs/dbraw/zinc/74/15/98/447741598.db2.gz CPLQHYUDIAUMSZ-VQIMIIECSA-N 1 3 329.444 1.844 20 0 EDADHO C[C@H](NC[C@@H](O)Cn1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715213 447749901 /nfs/dbraw/zinc/74/99/01/447749901.db2.gz PAIBXXXOIIZIGK-RYQLBKOJSA-N 1 3 329.448 1.139 20 0 EDADHO C[C@H](NC[C@@H](O)Cn1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715213 447749902 /nfs/dbraw/zinc/74/99/02/447749902.db2.gz PAIBXXXOIIZIGK-RYQLBKOJSA-N 1 3 329.448 1.139 20 0 EDADHO COC[C@H](CCC[NH3+])NCc1cc(F)ccc1N1CCOCC1 ZINC000422791472 447751557 /nfs/dbraw/zinc/75/15/57/447751557.db2.gz VZEQIAXGSZXOGI-INIZCTEOSA-N 1 3 325.428 1.506 20 0 EDADHO CCN1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800446 447786370 /nfs/dbraw/zinc/78/63/70/447786370.db2.gz QYLSGTJCHBSGNM-XJKSGUPXSA-N 1 3 348.495 1.456 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000423078110 447800119 /nfs/dbraw/zinc/80/01/19/447800119.db2.gz NVCJXPGXOKCNGN-HIFRSBDPSA-N 1 3 331.526 1.686 20 0 EDADHO C[C@H](CCNC(=O)N1CCN(C)C[C@@H]1CN)[N@H+](C)Cc1ccccc1 ZINC000569676591 447863526 /nfs/dbraw/zinc/86/35/26/447863526.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 1 3 347.507 1.181 20 0 EDADHO C[C@H](CCNC(=O)N1CCN(C)C[C@@H]1CN)[N@@H+](C)Cc1ccccc1 ZINC000569676591 447863533 /nfs/dbraw/zinc/86/35/33/447863533.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 1 3 347.507 1.181 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000487685525 447835894 /nfs/dbraw/zinc/83/58/94/447835894.db2.gz IIXYMRAETPHRIS-CRAIPNDOSA-N 1 3 333.476 1.783 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000487685525 447835895 /nfs/dbraw/zinc/83/58/95/447835895.db2.gz IIXYMRAETPHRIS-CRAIPNDOSA-N 1 3 333.476 1.783 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000487684760 447835989 /nfs/dbraw/zinc/83/59/89/447835989.db2.gz CZAWODHPPWPHMF-SJORKVTESA-N 1 3 338.496 1.148 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000575745478 447888441 /nfs/dbraw/zinc/88/84/41/447888441.db2.gz MTRVSEQAKZVBBT-UHFFFAOYSA-N 1 3 330.476 1.050 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569989420 447931464 /nfs/dbraw/zinc/93/14/64/447931464.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 1 3 344.503 1.388 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569989420 447931468 /nfs/dbraw/zinc/93/14/68/447931468.db2.gz YTVAKLJFDVEEMD-ROUUACIJSA-N 1 3 344.503 1.388 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC000530656215 447935058 /nfs/dbraw/zinc/93/50/58/447935058.db2.gz RNHAEQXVKFBBLZ-QGZVFWFLSA-N 1 3 342.553 1.940 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCSC1 ZINC000530656215 447935061 /nfs/dbraw/zinc/93/50/61/447935061.db2.gz RNHAEQXVKFBBLZ-QGZVFWFLSA-N 1 3 342.553 1.940 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814457 447964039 /nfs/dbraw/zinc/96/40/39/447964039.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 1 3 331.460 1.224 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814457 447964045 /nfs/dbraw/zinc/96/40/45/447964045.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 1 3 331.460 1.224 20 0 EDADHO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc(OCCN(C)C)c1 ZINC000531704574 448130757 /nfs/dbraw/zinc/13/07/57/448130757.db2.gz KMCNIAVFZHCONO-DLBZAZTESA-N 1 3 335.492 1.998 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CCC1 ZINC000527113395 448162096 /nfs/dbraw/zinc/16/20/96/448162096.db2.gz ZPCVADPPDANJON-IBGZPJMESA-N 1 3 331.460 1.224 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000497084278 448185349 /nfs/dbraw/zinc/18/53/49/448185349.db2.gz TTZYUQGRKFRECZ-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO Cc1c(Cl)cccc1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000571683978 448190045 /nfs/dbraw/zinc/19/00/45/448190045.db2.gz WOVYDOKMLDCTMF-UHFFFAOYSA-N 1 3 341.883 1.979 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000571757318 448200554 /nfs/dbraw/zinc/20/05/54/448200554.db2.gz BRIWCJWIALLBNR-AWEZNQCLSA-N 1 3 330.432 1.204 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000571757318 448200557 /nfs/dbraw/zinc/20/05/57/448200557.db2.gz BRIWCJWIALLBNR-AWEZNQCLSA-N 1 3 330.432 1.204 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CCN1Cc1ccccc1 ZINC000571777536 448205814 /nfs/dbraw/zinc/20/58/14/448205814.db2.gz VTCWLDZVYKZPNB-NJAFHUGGSA-N 1 3 346.475 1.327 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000514590546 448167155 /nfs/dbraw/zinc/16/71/55/448167155.db2.gz ZBZXZAYGAOITHD-OKZBNKHCSA-N 1 3 330.476 1.997 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000571928591 448238439 /nfs/dbraw/zinc/23/84/39/448238439.db2.gz FNRLEQLSRLVDHQ-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000515053455 448250111 /nfs/dbraw/zinc/25/01/11/448250111.db2.gz DKNYLAYVJATPFK-WSTZPKSXSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000515053455 448250117 /nfs/dbraw/zinc/25/01/17/448250117.db2.gz DKNYLAYVJATPFK-WSTZPKSXSA-N 1 3 343.471 1.393 20 0 EDADHO O=C(NCC1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000582535691 448265812 /nfs/dbraw/zinc/26/58/12/448265812.db2.gz YFOOXAWFMRKEBR-SFHVURJKSA-N 1 3 330.476 1.950 20 0 EDADHO CN(CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000577486489 448309606 /nfs/dbraw/zinc/30/96/06/448309606.db2.gz ZBVVVRCLEJKIOT-AWEZNQCLSA-N 1 3 326.391 1.415 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCOC3(C)C)CC2)CC1 ZINC000577767710 448385018 /nfs/dbraw/zinc/38/50/18/448385018.db2.gz JOQPVKRARMUPEC-QGZVFWFLSA-N 1 3 337.508 1.866 20 0 EDADHO O=C1CC[C@@H](NCc2ccc3c(c2)OCCO3)[C@H](C2CC[NH2+]CC2)N1 ZINC000577829020 448394526 /nfs/dbraw/zinc/39/45/26/448394526.db2.gz HYPNJBIPDKYPEH-BEFAXECRSA-N 1 3 345.443 1.194 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ncccc12 ZINC000572441151 448378078 /nfs/dbraw/zinc/37/80/78/448378078.db2.gz DJTVSBXNQFRTNV-OAHLLOKOSA-N 1 3 344.463 1.217 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ncccc12 ZINC000572441151 448378081 /nfs/dbraw/zinc/37/80/81/448378081.db2.gz DJTVSBXNQFRTNV-OAHLLOKOSA-N 1 3 344.463 1.217 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577753637 448380093 /nfs/dbraw/zinc/38/00/93/448380093.db2.gz WFYLVSSXSPTCMD-VVFCZOMOSA-N 1 3 347.434 1.942 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000578166899 448476094 /nfs/dbraw/zinc/47/60/94/448476094.db2.gz CAMVMTRBIBHXOJ-AEFFLSMTSA-N 1 3 330.476 1.760 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000578166899 448476097 /nfs/dbraw/zinc/47/60/97/448476097.db2.gz CAMVMTRBIBHXOJ-AEFFLSMTSA-N 1 3 330.476 1.760 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCOC[C@@H]3C)CC2)CC1 ZINC000566449763 448477325 /nfs/dbraw/zinc/47/73/25/448477325.db2.gz RQQQDECFVGOJPC-YJBOKZPZSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NCC1CC[NH2+]CC1 ZINC000516916534 448495326 /nfs/dbraw/zinc/49/53/26/448495326.db2.gz QBYYLDNOQGHIKT-GOSISDBHSA-N 1 3 346.475 1.052 20 0 EDADHO COCCNCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000566680607 448536937 /nfs/dbraw/zinc/53/69/37/448536937.db2.gz JRPNLUOFBLBXTJ-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO COCCNCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000566680607 448536942 /nfs/dbraw/zinc/53/69/42/448536942.db2.gz JRPNLUOFBLBXTJ-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164315 448650045 /nfs/dbraw/zinc/65/00/45/448650045.db2.gz MMPPJHDZJGQHQA-MSOLQXFVSA-N 1 3 331.508 1.831 20 0 EDADHO COc1ccc2c(c1)C[C@H](NCc1n[nH]c(C3CC[NH2+]CC3)n1)CO2 ZINC000567261803 448652912 /nfs/dbraw/zinc/65/29/12/448652912.db2.gz OAAVNQBJJPNJLL-AWEZNQCLSA-N 1 3 343.431 1.374 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000567358984 448675637 /nfs/dbraw/zinc/67/56/37/448675637.db2.gz DJZJVIZKZGRULP-SFHVURJKSA-N 1 3 332.492 1.466 20 0 EDADHO [NH3+][C@H](CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000518735618 448703932 /nfs/dbraw/zinc/70/39/32/448703932.db2.gz OWSXEMMYZYHCBP-JXQTWKCFSA-N 1 3 348.413 1.828 20 0 EDADHO C[N@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000579472986 448801821 /nfs/dbraw/zinc/80/18/21/448801821.db2.gz AGRHABXPCWEDKF-DZGCQCFKSA-N 1 3 328.403 1.161 20 0 EDADHO C[N@@H+](C[C@H](O)CNC[C@@H](CO)Cc1ccc(F)c(F)c1)C1CC1 ZINC000579472986 448801827 /nfs/dbraw/zinc/80/18/27/448801827.db2.gz AGRHABXPCWEDKF-DZGCQCFKSA-N 1 3 328.403 1.161 20 0 EDADHO C[N@H+](C[C@@H](O)CNCCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000579464577 448798717 /nfs/dbraw/zinc/79/87/17/448798717.db2.gz ARKTYFZLHDSCFW-INIZCTEOSA-N 1 3 348.422 1.853 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000579464577 448798722 /nfs/dbraw/zinc/79/87/22/448798722.db2.gz ARKTYFZLHDSCFW-INIZCTEOSA-N 1 3 348.422 1.853 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C2)CC1 ZINC000579589428 448828520 /nfs/dbraw/zinc/82/85/20/448828520.db2.gz DEHJTKKFJGUYGS-RCCFBDPRSA-N 1 3 336.524 1.521 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)CCO)CC2)CC1 ZINC000568196080 448833019 /nfs/dbraw/zinc/83/30/19/448833019.db2.gz YYLZRZLBKRIRSB-OAHLLOKOSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000568822956 448921583 /nfs/dbraw/zinc/92/15/83/448921583.db2.gz UXLIPEIODLLWMM-ICSRJNTNSA-N 1 3 347.503 1.716 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000574504369 448888039 /nfs/dbraw/zinc/88/80/39/448888039.db2.gz CXQUXPQAJDVKJU-MAUKXSAKSA-N 1 3 330.476 1.905 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000574504369 448888045 /nfs/dbraw/zinc/88/80/45/448888045.db2.gz CXQUXPQAJDVKJU-MAUKXSAKSA-N 1 3 330.476 1.905 20 0 EDADHO CCCN(CCO)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569501186 449035066 /nfs/dbraw/zinc/03/50/66/449035066.db2.gz MQVNNAWOAOUROJ-UHFFFAOYSA-N 1 3 325.497 1.414 20 0 EDADHO [NH3+]C[C@@H]1CN(Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181359 449032401 /nfs/dbraw/zinc/03/24/01/449032401.db2.gz STYAZYXFHYSSEZ-GOSISDBHSA-N 1 3 345.487 1.711 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H](N4CCCC4)C3)c21 ZINC000592956214 449076111 /nfs/dbraw/zinc/07/61/11/449076111.db2.gz DXKVYLBXIQSWNF-CABCVRRESA-N 1 3 331.464 1.420 20 0 EDADHO CCOC(=O)C[C@@H](O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000611237279 449230764 /nfs/dbraw/zinc/23/07/64/449230764.db2.gz HHKYNKXDISGKQZ-QGZVFWFLSA-N 1 3 326.481 1.889 20 0 EDADHO COC(=O)c1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)n1C ZINC000602004462 449271007 /nfs/dbraw/zinc/27/10/07/449271007.db2.gz VHHNOIFCMVTGSI-UHFFFAOYSA-N 1 3 348.491 1.460 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409773 449611352 /nfs/dbraw/zinc/61/13/52/449611352.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 1 3 346.475 1.017 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409773 449611359 /nfs/dbraw/zinc/61/13/59/449611359.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 1 3 346.475 1.017 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(NC2CC2)nc1 ZINC000617504563 449650635 /nfs/dbraw/zinc/65/06/35/449650635.db2.gz AFTSDXQJTXXUGE-AWEZNQCLSA-N 1 3 333.480 1.658 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(NC2CC2)nc1 ZINC000617504563 449650641 /nfs/dbraw/zinc/65/06/41/449650641.db2.gz AFTSDXQJTXXUGE-AWEZNQCLSA-N 1 3 333.480 1.658 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617508233 449658728 /nfs/dbraw/zinc/65/87/28/449658728.db2.gz YVDCXVQQBFWFCM-JKSUJKDBSA-N 1 3 349.475 1.605 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1COc2ccccc2O1 ZINC000617508233 449658730 /nfs/dbraw/zinc/65/87/30/449658730.db2.gz YVDCXVQQBFWFCM-JKSUJKDBSA-N 1 3 349.475 1.605 20 0 EDADHO C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503309 449646403 /nfs/dbraw/zinc/64/64/03/449646403.db2.gz DKUDEBMXONNDSP-LSDHHAIUSA-N 1 3 339.455 1.981 20 0 EDADHO C[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503309 449646408 /nfs/dbraw/zinc/64/64/08/449646408.db2.gz DKUDEBMXONNDSP-LSDHHAIUSA-N 1 3 339.455 1.981 20 0 EDADHO COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1OC ZINC000617503433 449647237 /nfs/dbraw/zinc/64/72/37/449647237.db2.gz IZRDTLKQBOIMBI-AWEZNQCLSA-N 1 3 337.464 1.706 20 0 EDADHO COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1OC ZINC000617503433 449647245 /nfs/dbraw/zinc/64/72/45/449647245.db2.gz IZRDTLKQBOIMBI-AWEZNQCLSA-N 1 3 337.464 1.706 20 0 EDADHO CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617503244 449647439 /nfs/dbraw/zinc/64/74/39/449647439.db2.gz ASAFRLRHUFCYJT-AWEZNQCLSA-N 1 3 334.464 1.647 20 0 EDADHO CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617503244 449647443 /nfs/dbraw/zinc/64/74/43/449647443.db2.gz ASAFRLRHUFCYJT-AWEZNQCLSA-N 1 3 334.464 1.647 20 0 EDADHO C[C@]1(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902544 449933615 /nfs/dbraw/zinc/93/36/15/449933615.db2.gz BPKOCIQNBZTJEH-MJGOQNOKSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@]1(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902541 449933974 /nfs/dbraw/zinc/93/39/74/449933974.db2.gz BPKOCIQNBZTJEH-HKUYNNGSSA-N 1 3 346.475 1.329 20 0 EDADHO CCN(C)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603898418 450372229 /nfs/dbraw/zinc/37/22/29/450372229.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CCN(C)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603898418 450372231 /nfs/dbraw/zinc/37/22/31/450372231.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CCN(C)[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372233 /nfs/dbraw/zinc/37/22/33/450372233.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CCN(C)[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603898418 450372235 /nfs/dbraw/zinc/37/22/35/450372235.db2.gz MLXJGEXFPHMWSV-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000626415907 450729015 /nfs/dbraw/zinc/72/90/15/450729015.db2.gz AKVPKQQYKSFQEC-KRWDZBQOSA-N 1 3 348.495 1.973 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cn1 ZINC000626415907 450729020 /nfs/dbraw/zinc/72/90/20/450729020.db2.gz AKVPKQQYKSFQEC-KRWDZBQOSA-N 1 3 348.495 1.973 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@@H+]1C ZINC000633157456 450716773 /nfs/dbraw/zinc/71/67/73/450716773.db2.gz QWMDOPGJRPQCMC-OKZBNKHCSA-N 1 3 331.460 1.922 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC[N@H+]1C ZINC000633157456 450716777 /nfs/dbraw/zinc/71/67/77/450716777.db2.gz QWMDOPGJRPQCMC-OKZBNKHCSA-N 1 3 331.460 1.922 20 0 EDADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000621693087 450836707 /nfs/dbraw/zinc/83/67/07/450836707.db2.gz TZHFBBZVCQYCDD-SCTDSRPQSA-N 1 3 328.460 1.633 20 0 EDADHO CN(CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000629956700 450915268 /nfs/dbraw/zinc/91/52/68/450915268.db2.gz ANHHDBRKHLFAIH-UHFFFAOYSA-N 1 3 345.487 1.744 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000635445195 450947565 /nfs/dbraw/zinc/94/75/65/450947565.db2.gz CILKTZCHENUHRH-ROUUACIJSA-N 1 3 335.492 1.620 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890765 450987634 /nfs/dbraw/zinc/98/76/34/450987634.db2.gz SCIBVWIUCMVGEH-UKRRQHHQSA-N 1 3 332.448 1.252 20 0 EDADHO CN(CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)CC(C)(C)C ZINC000635534729 451030523 /nfs/dbraw/zinc/03/05/23/451030523.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 1 3 338.540 1.593 20 0 EDADHO CN(CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)CC(C)(C)C ZINC000635534729 451030527 /nfs/dbraw/zinc/03/05/27/451030527.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 1 3 338.540 1.593 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCCc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626970898 451042093 /nfs/dbraw/zinc/04/20/93/451042093.db2.gz VVUIIIUZFYNJKF-RDJZCZTQSA-N 1 3 348.491 1.609 20 0 EDADHO CCN1CCN(CCCCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635559698 451057945 /nfs/dbraw/zinc/05/79/45/451057945.db2.gz HURLCBVYZXJCFT-UHFFFAOYSA-N 1 3 336.524 1.396 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000626995512 451060568 /nfs/dbraw/zinc/06/05/68/451060568.db2.gz VPPQNJPIXFIOKK-AEFFLSMTSA-N 1 3 348.491 1.704 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000626997543 451062980 /nfs/dbraw/zinc/06/29/80/451062980.db2.gz AMHFZLLLQCQKGV-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000627013755 451078236 /nfs/dbraw/zinc/07/82/36/451078236.db2.gz RDHYPNJDENAGBX-WMZOPIPTSA-N 1 3 348.491 1.384 20 0 EDADHO CN(CCOCC[NH3+])C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000627083066 451116051 /nfs/dbraw/zinc/11/60/51/451116051.db2.gz OAJRZYFKXWNTJK-QGZVFWFLSA-N 1 3 330.432 1.456 20 0 EDADHO COC[C@]1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCCCN1 ZINC000638083422 451248434 /nfs/dbraw/zinc/24/84/34/451248434.db2.gz LNHFNDUZHVYQAW-HPFXQQBRSA-N 1 3 325.497 1.628 20 0 EDADHO COC[C@]1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCN1 ZINC000638083422 451248437 /nfs/dbraw/zinc/24/84/37/451248437.db2.gz LNHFNDUZHVYQAW-HPFXQQBRSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638084996 451249360 /nfs/dbraw/zinc/24/93/60/451249360.db2.gz WIEUOJJDAULRCT-AYBZRNKSSA-N 1 3 331.460 1.694 20 0 EDADHO COC[C@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCCCN1 ZINC000638114573 451282702 /nfs/dbraw/zinc/28/27/02/451282702.db2.gz XOWVCDXJULEZJQ-SFHVURJKSA-N 1 3 325.497 1.918 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2OCC[C@@H]2N)CCOCC1)c1ccccc1 ZINC000638115297 451283465 /nfs/dbraw/zinc/28/34/65/451283465.db2.gz GUBYLJHUPOTZOM-HYVNUMGLSA-N 1 3 347.459 1.119 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136709 451309749 /nfs/dbraw/zinc/30/97/49/451309749.db2.gz LOEJQMWSPJOLSG-QGZVFWFLSA-N 1 3 328.460 1.810 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638166454 451332175 /nfs/dbraw/zinc/33/21/75/451332175.db2.gz XCEUXJQCTMCHJE-MHORFTMASA-N 1 3 330.476 1.032 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1 ZINC000638256770 451383432 /nfs/dbraw/zinc/38/34/32/451383432.db2.gz RZWFMZPLSQRVQL-GOSISDBHSA-N 1 3 326.444 1.804 20 0 EDADHO CN(C)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)Cc1ccccc1 ZINC000638302355 451417872 /nfs/dbraw/zinc/41/78/72/451417872.db2.gz TZVQSMSHQGHPLZ-LJQANCHMSA-N 1 3 333.520 1.984 20 0 EDADHO CN(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000638302355 451417880 /nfs/dbraw/zinc/41/78/80/451417880.db2.gz TZVQSMSHQGHPLZ-LJQANCHMSA-N 1 3 333.520 1.984 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)N(C)C)cc1 ZINC000630840180 451431392 /nfs/dbraw/zinc/43/13/92/451431392.db2.gz YQCVSWJPNWDDNG-GOSISDBHSA-N 1 3 343.475 1.786 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634682674 451463600 /nfs/dbraw/zinc/46/36/00/451463600.db2.gz YKPBHZANUCPXFE-MSOLQXFVSA-N 1 3 347.503 1.823 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ncc4n3CCCC4)CC2)CC1 ZINC000630862293 451445554 /nfs/dbraw/zinc/44/55/54/451445554.db2.gz FWMSJUQCUBFTDQ-UHFFFAOYSA-N 1 3 345.491 1.508 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000630866912 451447674 /nfs/dbraw/zinc/44/76/74/451447674.db2.gz NVAKRPZSUCWRIP-UHFFFAOYSA-N 1 3 345.447 1.637 20 0 EDADHO CN(C)CCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cn1 ZINC000638344252 451447778 /nfs/dbraw/zinc/44/77/78/451447778.db2.gz SAYVGZPCZBRXJY-DLBZAZTESA-N 1 3 345.422 1.151 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)N(C)C ZINC000638413600 451499856 /nfs/dbraw/zinc/49/98/56/451499856.db2.gz AWVMKKAZWPIMNG-FVQBIDKESA-N 1 3 337.439 1.736 20 0 EDADHO CCn1ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C1CC1 ZINC000640679403 451506925 /nfs/dbraw/zinc/50/69/25/451506925.db2.gz SYYSTKOAFSDRIU-AWEZNQCLSA-N 1 3 335.496 1.782 20 0 EDADHO CCn1ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C1CC1 ZINC000640679403 451506931 /nfs/dbraw/zinc/50/69/31/451506931.db2.gz SYYSTKOAFSDRIU-AWEZNQCLSA-N 1 3 335.496 1.782 20 0 EDADHO C[C@H](CC[NH+](C)C)NCc1ccc(OCCN2CCOCC2)cc1 ZINC000631055751 451557793 /nfs/dbraw/zinc/55/77/93/451557793.db2.gz FOVUFJLDAZRQDR-QGZVFWFLSA-N 1 3 335.492 1.827 20 0 EDADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631055751 451557796 /nfs/dbraw/zinc/55/77/96/451557796.db2.gz FOVUFJLDAZRQDR-QGZVFWFLSA-N 1 3 335.492 1.827 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000638526179 451558759 /nfs/dbraw/zinc/55/87/59/451558759.db2.gz GKRRQTAIWIJRCW-LPHOPBHVSA-N 1 3 344.459 1.306 20 0 EDADHO CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638527628 451559721 /nfs/dbraw/zinc/55/97/21/451559721.db2.gz WJDKKBMMSQSHBY-SFHVURJKSA-N 1 3 347.503 1.511 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631063272 451562560 /nfs/dbraw/zinc/56/25/60/451562560.db2.gz JSRURZDHNHPKLA-HNNXBMFYSA-N 1 3 340.537 1.695 20 0 EDADHO O=C1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCN1 ZINC000638717653 451664472 /nfs/dbraw/zinc/66/44/72/451664472.db2.gz AHCRTSXAISGUDP-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO O=S1(=O)CCC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000634974478 451632780 /nfs/dbraw/zinc/63/27/80/451632780.db2.gz BQZZTRVUGSEBJU-MRXNPFEDSA-N 1 3 337.489 1.855 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000632914313 451648052 /nfs/dbraw/zinc/64/80/52/451648052.db2.gz KNYUWDPUGOASQI-JYJNAYRXSA-N 1 3 326.485 1.255 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]CCn2c(=O)[nH]c3ccccc32)CC1 ZINC000638723891 451666048 /nfs/dbraw/zinc/66/60/48/451666048.db2.gz BXHIFAZARMCBAQ-UHFFFAOYSA-N 1 3 332.448 1.567 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCCC1(F)F ZINC000638803815 451696029 /nfs/dbraw/zinc/69/60/29/451696029.db2.gz PJRAHJFQXIPNOJ-CVEARBPZSA-N 1 3 337.414 1.870 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCCC1(F)F ZINC000638803815 451696031 /nfs/dbraw/zinc/69/60/31/451696031.db2.gz PJRAHJFQXIPNOJ-CVEARBPZSA-N 1 3 337.414 1.870 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442783 451709775 /nfs/dbraw/zinc/70/97/75/451709775.db2.gz TXEYYLSZHJGEIL-QZTJIDSGSA-N 1 3 346.475 1.189 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000639058829 451759948 /nfs/dbraw/zinc/75/99/48/451759948.db2.gz IVNSLTWESGGEDF-UHFFFAOYSA-N 1 3 331.460 1.297 20 0 EDADHO CCCN1CC[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637283424 451779904 /nfs/dbraw/zinc/77/99/04/451779904.db2.gz QUXAAYTUIXICGP-CQSZACIVSA-N 1 3 334.468 1.756 20 0 EDADHO CC(C)(C)[C@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229457 451790799 /nfs/dbraw/zinc/79/07/99/451790799.db2.gz ITIRXEQGHMMEEZ-MJGOQNOKSA-N 1 3 343.475 1.961 20 0 EDADHO CC(C)(C)[C@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229457 451790800 /nfs/dbraw/zinc/79/08/00/451790800.db2.gz ITIRXEQGHMMEEZ-MJGOQNOKSA-N 1 3 343.475 1.961 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnc1C ZINC000637428161 451849672 /nfs/dbraw/zinc/84/96/72/451849672.db2.gz AKYDVLCCIRSSAC-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnc1C ZINC000637428161 451849675 /nfs/dbraw/zinc/84/96/75/451849675.db2.gz AKYDVLCCIRSSAC-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO CN(C)C1(CNc2ncc(C3CC3)c(NCC3([NH+](C)C)CC3)n2)CC1 ZINC000642310867 451857924 /nfs/dbraw/zinc/85/79/24/451857924.db2.gz IUTMCDCYMMARIM-UHFFFAOYSA-N 1 3 344.507 2.366 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3)C2)CC1 ZINC000644561698 451862807 /nfs/dbraw/zinc/86/28/07/451862807.db2.gz FIHMLPBRBSIGNJ-AEFFLSMTSA-N 1 3 333.476 1.184 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000649132170 451866652 /nfs/dbraw/zinc/86/66/52/451866652.db2.gz OJVYASYUEPJLEX-UHFFFAOYSA-N 1 3 331.460 1.685 20 0 EDADHO C[N@@H+]1C[C@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916770 451935440 /nfs/dbraw/zinc/93/54/40/451935440.db2.gz QGBIVKCCYYYPEC-IEBWSBKVSA-N 1 3 342.487 1.361 20 0 EDADHO C[N@H+]1C[C@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916770 451935446 /nfs/dbraw/zinc/93/54/46/451935446.db2.gz QGBIVKCCYYYPEC-IEBWSBKVSA-N 1 3 342.487 1.361 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(N)CCN(C)C2)C1 ZINC000649288426 451961889 /nfs/dbraw/zinc/96/18/89/451961889.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@]2(N)CCN(C)C2)C1 ZINC000649288426 451961893 /nfs/dbraw/zinc/96/18/93/451961893.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 1 3 344.503 1.568 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649287927 451961904 /nfs/dbraw/zinc/96/19/04/451961904.db2.gz OQSVJZDRXMGMQS-QGZVFWFLSA-N 1 3 331.460 1.312 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649334707 452016966 /nfs/dbraw/zinc/01/69/66/452016966.db2.gz CZJWPQKCOPKCGZ-NXHRZFHOSA-N 1 3 347.507 1.412 20 0 EDADHO C[C@H](CC(=O)Nc1cnccc1N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000649351559 452034968 /nfs/dbraw/zinc/03/49/68/452034968.db2.gz AUBUIHUEVIVNOC-OAHLLOKOSA-N 1 3 345.491 1.798 20 0 EDADHO CN(C[C@H]1CCCN1C)c1nccnc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000643197846 452064510 /nfs/dbraw/zinc/06/45/10/452064510.db2.gz DPURJPWMOJKSNS-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCCN1C)c1nccnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000643197846 452064516 /nfs/dbraw/zinc/06/45/16/452064516.db2.gz DPURJPWMOJKSNS-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)CCC[NH3+])CC1 ZINC000649410027 452073625 /nfs/dbraw/zinc/07/36/25/452073625.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 1 3 332.492 1.310 20 0 EDADHO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)N2CCNCC2)CC1 ZINC000649411536 452074425 /nfs/dbraw/zinc/07/44/25/452074425.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 1 3 344.503 1.325 20 0 EDADHO Cc1ccccc1C[N@H+]1CCCN(CCC(=O)N2CCNCC2)CC1 ZINC000649411536 452074428 /nfs/dbraw/zinc/07/44/28/452074428.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 1 3 344.503 1.325 20 0 EDADHO Cc1ccccc1CN1CCC[N@H+](CCC(=O)N2CCNCC2)CC1 ZINC000649411536 452074429 /nfs/dbraw/zinc/07/44/29/452074429.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 1 3 344.503 1.325 20 0 EDADHO Cc1ccccc1CN1CCC[N@@H+](CCC(=O)N2CCNCC2)CC1 ZINC000649411536 452074433 /nfs/dbraw/zinc/07/44/33/452074433.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 1 3 344.503 1.325 20 0 EDADHO OC[C@H](c1ccc(Cl)cc1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649413186 452075699 /nfs/dbraw/zinc/07/56/99/452075699.db2.gz ORXNAQLHCSUENT-MAUKXSAKSA-N 1 3 337.895 1.991 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000639758639 452098060 /nfs/dbraw/zinc/09/80/60/452098060.db2.gz WUMHEFSVFADEHL-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO CN(CCN1CCN(C[C@@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124523 /nfs/dbraw/zinc/12/45/23/452124523.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 1 3 330.520 1.830 20 0 EDADHO CN(CCN1CCN(C[C@@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124529 /nfs/dbraw/zinc/12/45/29/452124529.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 1 3 330.520 1.830 20 0 EDADHO Cc1cncc(CCN2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1 ZINC000649571774 452150178 /nfs/dbraw/zinc/15/01/78/452150178.db2.gz WIKOJOHTRQBDQV-UHFFFAOYSA-N 1 3 331.508 1.818 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCC1([NH+](C)C)CCCC1)CCO2 ZINC000645115884 452161361 /nfs/dbraw/zinc/16/13/61/452161361.db2.gz YLVRGFBAWIRJTN-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000643468700 452236168 /nfs/dbraw/zinc/23/61/68/452236168.db2.gz IQUFPVVBNVGXDF-ARFHVFGLSA-N 1 3 329.510 1.312 20 0 EDADHO O=S1(=O)CCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643468700 452236171 /nfs/dbraw/zinc/23/61/71/452236171.db2.gz IQUFPVVBNVGXDF-ARFHVFGLSA-N 1 3 329.510 1.312 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000659428125 452271036 /nfs/dbraw/zinc/27/10/36/452271036.db2.gz XCOVZSMJIQEKKG-WMLDXEAASA-N 1 3 334.464 1.739 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000645306955 452285334 /nfs/dbraw/zinc/28/53/34/452285334.db2.gz ZKPRCUYWDQEIIL-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000652119648 452315454 /nfs/dbraw/zinc/31/54/54/452315454.db2.gz QATBJAAPDIEVOG-SFHVURJKSA-N 1 3 330.476 1.950 20 0 EDADHO COc1cccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000638052125 452325701 /nfs/dbraw/zinc/32/57/01/452325701.db2.gz XPHJWJDAZDJCQY-SJLPKXTDSA-N 1 3 329.444 1.996 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000665760637 452330029 /nfs/dbraw/zinc/33/00/29/452330029.db2.gz MAIWFZYVPPDQCH-GVDBMIGSSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000665760637 452330037 /nfs/dbraw/zinc/33/00/37/452330037.db2.gz MAIWFZYVPPDQCH-GVDBMIGSSA-N 1 3 342.528 1.451 20 0 EDADHO CC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665761551 452337453 /nfs/dbraw/zinc/33/74/53/452337453.db2.gz HPQBDERJEBYJFN-DOTOQJQBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665761551 452337465 /nfs/dbraw/zinc/33/74/65/452337465.db2.gz HPQBDERJEBYJFN-DOTOQJQBSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000652154821 452347712 /nfs/dbraw/zinc/34/77/12/452347712.db2.gz PGNPTFYEKYCOSA-UHFFFAOYSA-N 1 3 347.507 1.233 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000638062992 452359246 /nfs/dbraw/zinc/35/92/46/452359246.db2.gz KWOSWTSCSKVRJC-WMZOPIPTSA-N 1 3 335.448 1.010 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000659511482 452375917 /nfs/dbraw/zinc/37/59/17/452375917.db2.gz QGWVFXQWZHBTMQ-ROUUACIJSA-N 1 3 346.475 1.052 20 0 EDADHO CC1CCN([C@H](CNC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638077530 452390105 /nfs/dbraw/zinc/39/01/05/452390105.db2.gz TZPBHWXRLBMYBN-LJQANCHMSA-N 1 3 344.503 1.481 20 0 EDADHO CN1CCN(CCCNC(=O)CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000645434982 452405054 /nfs/dbraw/zinc/40/50/54/452405054.db2.gz WQQYFSDYMDLBFH-KRWDZBQOSA-N 1 3 332.492 1.609 20 0 EDADHO [NH3+]CC1(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000645452648 452421590 /nfs/dbraw/zinc/42/15/90/452421590.db2.gz RNWBWVQTOPQNPB-UHFFFAOYSA-N 1 3 344.503 1.440 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652235375 452424339 /nfs/dbraw/zinc/42/43/39/452424339.db2.gz CWQHVNFJGDSDIC-UHFFFAOYSA-N 1 3 333.436 1.051 20 0 EDADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)C[C@@H]21 ZINC000659582593 452438275 /nfs/dbraw/zinc/43/82/75/452438275.db2.gz UTJZEDXQYSJPPB-DDBAPUKQSA-N 1 3 346.450 1.617 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1ccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)cc1)CC2 ZINC000661718070 452523716 /nfs/dbraw/zinc/52/37/16/452523716.db2.gz CRXSCQJDJRQNPK-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1ccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)cc1)CC2 ZINC000661718070 452523726 /nfs/dbraw/zinc/52/37/26/452523726.db2.gz CRXSCQJDJRQNPK-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360185 452541888 /nfs/dbraw/zinc/54/18/88/452541888.db2.gz CGHMRMWXICGPSA-BBWFWOEESA-N 1 3 325.497 1.993 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561073 /nfs/dbraw/zinc/56/10/73/452561073.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561081 /nfs/dbraw/zinc/56/10/81/452561081.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO C[NH+]1CCC(CN[C@H]2CCCn3ccnc32)(N2CCOCC2)CC1 ZINC000655777239 452571973 /nfs/dbraw/zinc/57/19/73/452571973.db2.gz QKILZTSPWJKEIC-INIZCTEOSA-N 1 3 333.480 1.104 20 0 EDADHO CN1CCN(c2ncc(CN[C@H]3CCC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857397 452608508 /nfs/dbraw/zinc/60/85/08/452608508.db2.gz UDXXGTPKFBLVEO-ZWKOTPCHSA-N 1 3 344.507 1.335 20 0 EDADHO CN1CCN(c2ncc(CN[C@H]3CCC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000655857397 452608518 /nfs/dbraw/zinc/60/85/18/452608518.db2.gz UDXXGTPKFBLVEO-ZWKOTPCHSA-N 1 3 344.507 1.335 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cnn(C)c3)CC2)CC1 ZINC000654533645 452614009 /nfs/dbraw/zinc/61/40/09/452614009.db2.gz SLGXTKVUXOPTTM-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000666185676 452670157 /nfs/dbraw/zinc/67/01/57/452670157.db2.gz RLDZPFKTCFCWHG-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000666185676 452670165 /nfs/dbraw/zinc/67/01/65/452670165.db2.gz RLDZPFKTCFCWHG-AWEZNQCLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922950 452687244 /nfs/dbraw/zinc/68/72/44/452687244.db2.gz VKBSVHUBXQHNDR-NSHDSACASA-N 1 3 338.399 1.711 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138426 452747066 /nfs/dbraw/zinc/74/70/66/452747066.db2.gz NEBMKPLALFZGTB-ROUUACIJSA-N 1 3 329.448 1.413 20 0 EDADHO CN(C)C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000648154048 452865797 /nfs/dbraw/zinc/86/57/97/452865797.db2.gz UYOFMFQVJOVRME-AWEZNQCLSA-N 1 3 325.840 1.437 20 0 EDADHO CCN(CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662154746 452891935 /nfs/dbraw/zinc/89/19/35/452891935.db2.gz ZEDHAOHNLSNRKH-OAHLLOKOSA-N 1 3 337.430 1.792 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000658402526 452922522 /nfs/dbraw/zinc/92/25/22/452922522.db2.gz QRKPKWOKOLWXEF-HNNXBMFYSA-N 1 3 337.489 1.701 20 0 EDADHO CO[C@@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664280788 452962425 /nfs/dbraw/zinc/96/24/25/452962425.db2.gz IOMKIVAOHTYPMJ-MPGHIAIKSA-N 1 3 342.528 1.761 20 0 EDADHO CO[C@@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664280788 452962432 /nfs/dbraw/zinc/96/24/32/452962432.db2.gz IOMKIVAOHTYPMJ-MPGHIAIKSA-N 1 3 342.528 1.761 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4CC[C@@H](C3)O4)CC2)CC1 ZINC000654849184 452973904 /nfs/dbraw/zinc/97/39/04/452973904.db2.gz PKLCKHJJPLXUAI-HDICACEKSA-N 1 3 335.492 1.573 20 0 EDADHO O=C([C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1)N1CCOCC1 ZINC000662249376 452975710 /nfs/dbraw/zinc/97/57/10/452975710.db2.gz UOHYKXNCVHCBAL-GOSISDBHSA-N 1 3 343.471 1.403 20 0 EDADHO O=C([C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1)N1CCOCC1 ZINC000662249376 452975719 /nfs/dbraw/zinc/97/57/19/452975719.db2.gz UOHYKXNCVHCBAL-GOSISDBHSA-N 1 3 343.471 1.403 20 0 EDADHO Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CO2 ZINC000664448251 453102328 /nfs/dbraw/zinc/10/23/28/453102328.db2.gz OVYIELPRIWOAHS-RDJZCZTQSA-N 1 3 348.491 2.000 20 0 EDADHO Cc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CO2 ZINC000664448251 453102336 /nfs/dbraw/zinc/10/23/36/453102336.db2.gz OVYIELPRIWOAHS-RDJZCZTQSA-N 1 3 348.491 2.000 20 0 EDADHO [NH3+]CCOCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000646140211 453147885 /nfs/dbraw/zinc/14/78/85/453147885.db2.gz ALFOEYCEDQCWAY-LJQANCHMSA-N 1 3 331.460 1.476 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804537 453158213 /nfs/dbraw/zinc/15/82/13/453158213.db2.gz RTPNHENSYSUSON-KRWDZBQOSA-N 1 3 346.475 1.855 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666837646 453181667 /nfs/dbraw/zinc/18/16/67/453181667.db2.gz HUQWFEXVQXOCSE-HNNXBMFYSA-N 1 3 332.448 1.274 20 0 EDADHO CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC000664550024 453188078 /nfs/dbraw/zinc/18/80/78/453188078.db2.gz BEYWIOUCBRXRRI-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662492431 453210252 /nfs/dbraw/zinc/21/02/52/453210252.db2.gz KDYHDGYTIREBEG-CABCVRRESA-N 1 3 332.448 1.840 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000646214764 453226428 /nfs/dbraw/zinc/22/64/28/453226428.db2.gz IZNKMLBCUKLETK-LSDHHAIUSA-N 1 3 336.480 1.894 20 0 EDADHO O=C(COc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2)N1CCCC1 ZINC000666953982 453278486 /nfs/dbraw/zinc/27/84/86/453278486.db2.gz MPSHTCYSOYIWBW-GOSISDBHSA-N 1 3 343.471 1.920 20 0 EDADHO CN(CC1CN(C)C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660422574 453295562 /nfs/dbraw/zinc/29/55/62/453295562.db2.gz WYGMYEBLZKKNOJ-GOSISDBHSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CC1CN(C)C1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000660422574 453295570 /nfs/dbraw/zinc/29/55/70/453295570.db2.gz WYGMYEBLZKKNOJ-GOSISDBHSA-N 1 3 330.476 1.854 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666978306 453298548 /nfs/dbraw/zinc/29/85/48/453298548.db2.gz WJVBGVXJAPNMOI-IAGOWNOFSA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666978306 453298558 /nfs/dbraw/zinc/29/85/58/453298558.db2.gz WJVBGVXJAPNMOI-IAGOWNOFSA-N 1 3 338.496 1.364 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662575327 453301563 /nfs/dbraw/zinc/30/15/63/453301563.db2.gz RKUYPZPYYWJRTO-QZTJIDSGSA-N 1 3 329.444 1.648 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653116763 453304719 /nfs/dbraw/zinc/30/47/19/453304719.db2.gz RTGZIMBLNLXOQZ-SFHVURJKSA-N 1 3 345.487 1.649 20 0 EDADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CCN(Cc2ccccc2)CC1 ZINC000653117489 453305880 /nfs/dbraw/zinc/30/58/80/453305880.db2.gz NGCFIQUGDOERPO-PXNSSMCTSA-N 1 3 343.471 1.345 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660587499 453429402 /nfs/dbraw/zinc/42/94/02/453429402.db2.gz STCUOGLXPHJBAQ-UHFFFAOYSA-N 1 3 347.507 1.933 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000660587499 453429408 /nfs/dbraw/zinc/42/94/08/453429408.db2.gz STCUOGLXPHJBAQ-UHFFFAOYSA-N 1 3 347.507 1.933 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000667138255 453430298 /nfs/dbraw/zinc/43/02/98/453430298.db2.gz ZJNCWPRODMWHGE-HOTGVXAUSA-N 1 3 348.495 1.688 20 0 EDADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(s1)CCNC2 ZINC000662708779 453433052 /nfs/dbraw/zinc/43/30/52/453433052.db2.gz PEJRKPAKZZVQFC-AWEZNQCLSA-N 1 3 335.473 1.377 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccnn1CCN(C)C ZINC000667151395 453440591 /nfs/dbraw/zinc/44/05/91/453440591.db2.gz JKXPYDWXBXVODR-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C1(NC2CC2)CCC1 ZINC000662747364 453476774 /nfs/dbraw/zinc/47/67/74/453476774.db2.gz URLNKSDAHMTYIJ-UHFFFAOYSA-N 1 3 335.492 1.765 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662748149 453478008 /nfs/dbraw/zinc/47/80/08/453478008.db2.gz MTYFRMGZLYKIAT-GOSISDBHSA-N 1 3 330.476 1.363 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C[C@H](C)O)C3CC3)CC2)CC1 ZINC000655372701 453482838 /nfs/dbraw/zinc/48/28/38/453482838.db2.gz WZEMFJWGRNJQSM-HNNXBMFYSA-N 1 3 337.508 1.555 20 0 EDADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(C(C)(C)N)no1 ZINC000662791765 453525217 /nfs/dbraw/zinc/52/52/17/453525217.db2.gz SLFDWXICDOABCK-UHFFFAOYSA-N 1 3 331.420 1.467 20 0 EDADHO CC[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000660786242 453574015 /nfs/dbraw/zinc/57/40/15/453574015.db2.gz IUPNKPBSMBVWFE-IEBWSBKVSA-N 1 3 346.519 1.822 20 0 EDADHO CC[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000660786242 453574020 /nfs/dbraw/zinc/57/40/20/453574020.db2.gz IUPNKPBSMBVWFE-IEBWSBKVSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860700 453576132 /nfs/dbraw/zinc/57/61/32/453576132.db2.gz UIAIKOBOVAJIBS-HKUYNNGSSA-N 1 3 331.460 1.259 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659020529 453583563 /nfs/dbraw/zinc/58/35/63/453583563.db2.gz MZMPGVVXRYRQBA-MRXNPFEDSA-N 1 3 345.447 1.102 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038827 453593131 /nfs/dbraw/zinc/59/31/31/453593131.db2.gz VVUMEPFQZCGYAD-YOEHRIQHSA-N 1 3 332.448 1.763 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000665232841 453617233 /nfs/dbraw/zinc/61/72/33/453617233.db2.gz VOUUSVHVBYVPJR-WDYCEAGBSA-N 1 3 336.476 1.593 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351318 453724723 /nfs/dbraw/zinc/72/47/23/453724723.db2.gz CXTXNXHEFXQVCE-JYJNAYRXSA-N 1 3 337.464 1.483 20 0 EDADHO CN(C(=O)CC[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000663283940 453754715 /nfs/dbraw/zinc/75/47/15/453754715.db2.gz QAHZVPKFFTWPFI-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCN(C)CC1 ZINC000657304485 453761503 /nfs/dbraw/zinc/76/15/03/453761503.db2.gz YTZZJQQDKGUYJH-LJQANCHMSA-N 1 3 342.491 1.629 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc3c2OCO3)CC1 ZINC000663502225 453811194 /nfs/dbraw/zinc/81/11/94/453811194.db2.gz FTDRQUACTSDCIP-UHFFFAOYSA-N 1 3 333.432 1.496 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000415638780 486759171 /nfs/dbraw/zinc/75/91/71/486759171.db2.gz BZHFYKNCVXTFQL-RDJZCZTQSA-N 1 3 346.475 1.853 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000681188666 486964810 /nfs/dbraw/zinc/96/48/10/486964810.db2.gz OSURXAGGYFTDMX-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000667807069 486974698 /nfs/dbraw/zinc/97/46/98/486974698.db2.gz PKPSWBULUKVFON-ZFWWWQNUSA-N 1 3 331.464 1.894 20 0 EDADHO c1cc2n(n1)C[C@H](C[NH2+]CC1CCN(c3ccncc3)CC1)CN2 ZINC000684202218 486984517 /nfs/dbraw/zinc/98/45/17/486984517.db2.gz ROMODAUCQGHOKU-MRXNPFEDSA-N 1 3 326.448 1.826 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000673670666 487085234 /nfs/dbraw/zinc/08/52/34/487085234.db2.gz KAHJZWUOHIUJCP-HKUYNNGSSA-N 1 3 331.460 1.034 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000673866456 487139412 /nfs/dbraw/zinc/13/94/12/487139412.db2.gz CNRKVLIICFQURM-INIZCTEOSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000673866456 487139416 /nfs/dbraw/zinc/13/94/16/487139416.db2.gz CNRKVLIICFQURM-INIZCTEOSA-N 1 3 336.484 1.783 20 0 EDADHO OCC[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219572 /nfs/dbraw/zinc/21/95/72/487219572.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 1 3 328.497 1.192 20 0 EDADHO OCC[C@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219574 /nfs/dbraw/zinc/21/95/74/487219574.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 1 3 328.497 1.192 20 0 EDADHO OCC[C@H]1CCC[N@@H+](CCOCCN2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219576 /nfs/dbraw/zinc/21/95/76/487219576.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 1 3 328.497 1.192 20 0 EDADHO OCC[C@H]1CCC[N@H+](CCOCCN2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219577 /nfs/dbraw/zinc/21/95/77/487219577.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 1 3 328.497 1.192 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccccc1-n1cncn1 ZINC000685454750 487278032 /nfs/dbraw/zinc/27/80/32/487278032.db2.gz DPNWFFXGACDRJU-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccccc1-n1cncn1 ZINC000685454750 487278034 /nfs/dbraw/zinc/27/80/34/487278034.db2.gz DPNWFFXGACDRJU-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000675191991 487387435 /nfs/dbraw/zinc/38/74/35/487387435.db2.gz SLRKJHRMKKXAAJ-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000682613060 487396983 /nfs/dbraw/zinc/39/69/83/487396983.db2.gz FJPHVGSTRXGNFE-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1(C)C ZINC000669519993 485485698 /nfs/dbraw/zinc/48/56/98/485485698.db2.gz ZUXHXXRPTCDWTC-OLMMMNRUSA-N 1 3 337.508 1.757 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000333251702 485539877 /nfs/dbraw/zinc/53/98/77/485539877.db2.gz GYCZXCYCDUJSRN-SOUVJXGZSA-N 1 3 327.428 1.935 20 0 EDADHO [NH3+]C/C=C\CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570380 485589398 /nfs/dbraw/zinc/58/93/98/485589398.db2.gz CNXZVBYEEKUCCM-CHYADLBTSA-N 1 3 332.448 1.092 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000669582864 485631295 /nfs/dbraw/zinc/63/12/95/485631295.db2.gz BUUTYOXKIDYWNB-UHFFFAOYSA-N 1 3 346.475 1.840 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000668654335 485999899 /nfs/dbraw/zinc/99/98/99/485999899.db2.gz MCFFUSXISXPFCA-JCGIZDLHSA-N 1 3 348.491 1.609 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669469593 486221096 /nfs/dbraw/zinc/22/10/96/486221096.db2.gz ZTNVQBGWMCDMBX-HOCLYGCPSA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000669496433 486270627 /nfs/dbraw/zinc/27/06/27/486270627.db2.gz OGNLJSOFTRXIQJ-MAUKXSAKSA-N 1 3 342.487 1.479 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(OC)c1 ZINC000668899943 486321438 /nfs/dbraw/zinc/32/14/38/486321438.db2.gz QXQCUFZUMHRTAD-TUYSUELWSA-N 1 3 334.464 1.892 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000073476667 491008820 /nfs/dbraw/zinc/00/88/20/491008820.db2.gz JTPDMIKUTUMVAU-KRWDZBQOSA-N 1 3 335.492 1.622 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000073476667 491008821 /nfs/dbraw/zinc/00/88/21/491008821.db2.gz JTPDMIKUTUMVAU-KRWDZBQOSA-N 1 3 335.492 1.622 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000127607381 491016747 /nfs/dbraw/zinc/01/67/47/491016747.db2.gz JBVFJURHNPATQT-LSDHHAIUSA-N 1 3 329.448 1.538 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000362993057 518177167 /nfs/dbraw/zinc/17/71/67/518177167.db2.gz CNKICRXEGIMBGB-FUHWJXTLSA-N 1 3 347.507 1.933 20 0 EDADHO CC[N@@H+]1CC[C@H](NCc2ccnc(N3CCN(C)CC3)c2)[C@H](C)C1 ZINC000159147641 527881471 /nfs/dbraw/zinc/88/14/71/527881471.db2.gz RVHCJSXMPSJATJ-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[N@H+]1CC[C@H](NCc2ccnc(N3CCN(C)CC3)c2)[C@H](C)C1 ZINC000159147641 527881475 /nfs/dbraw/zinc/88/14/75/527881475.db2.gz RVHCJSXMPSJATJ-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)[C@H](C)C1 ZINC000159147641 527881478 /nfs/dbraw/zinc/88/14/78/527881478.db2.gz RVHCJSXMPSJATJ-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)CNC[C@H]2CCCO2)c1 ZINC000164744371 528192633 /nfs/dbraw/zinc/19/26/33/528192633.db2.gz HWDQUNAYIZHJQN-GOSISDBHSA-N 1 3 333.476 1.913 20 0 EDADHO CC(C)([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000236783930 535193641 /nfs/dbraw/zinc/19/36/41/535193641.db2.gz YVUQVYCOEHOQHO-INIZCTEOSA-N 1 3 345.491 1.180 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000333457940 535329914 /nfs/dbraw/zinc/32/99/14/535329914.db2.gz YOSHOLVCWDQPSN-WBVHZDCISA-N 1 3 338.496 1.269 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012845 535692299 /nfs/dbraw/zinc/69/22/99/535692299.db2.gz KUFVMASDCSENGC-INIZCTEOSA-N 1 3 326.529 1.687 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000727468553 578529624 /nfs/dbraw/zinc/52/96/24/578529624.db2.gz MJEXEMOUAXLQBS-GJZGRUSLSA-N 1 3 327.469 1.432 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448207 578712753 /nfs/dbraw/zinc/71/27/53/578712753.db2.gz FPZAHNAHLSCBNY-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)N1CCC(OCC[NH+](C)C)CC1 ZINC000732624535 578721174 /nfs/dbraw/zinc/72/11/74/578721174.db2.gz QLCNYLQKEHWCFS-HNNXBMFYSA-N 1 3 342.553 1.388 20 0 EDADHO C[C@@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000747553937 579648661 /nfs/dbraw/zinc/64/86/61/579648661.db2.gz AVZUYFPLDJGJGG-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000747553937 579648662 /nfs/dbraw/zinc/64/86/62/579648662.db2.gz AVZUYFPLDJGJGG-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO CN(C)CCn1cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000747555303 579648664 /nfs/dbraw/zinc/64/86/64/579648664.db2.gz IZOXNWDKLLAUJE-HNNXBMFYSA-N 1 3 338.500 1.933 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC000753123166 579873105 /nfs/dbraw/zinc/87/31/05/579873105.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 1 3 331.460 1.706 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1 ZINC000753123166 579873106 /nfs/dbraw/zinc/87/31/06/579873106.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 1 3 331.460 1.706 20 0 EDADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280843 580139245 /nfs/dbraw/zinc/13/92/45/580139245.db2.gz TXUSIOWUIFBZKV-NVXWUHKLSA-N 1 3 339.505 1.426 20 0 EDADHO C[NH+]1CCC(CNC(=S)NCCN2CCCC(C)(C)C2)CC1 ZINC000766535648 580169170 /nfs/dbraw/zinc/16/91/70/580169170.db2.gz AIWDYKXZJQQTLU-UHFFFAOYSA-N 1 3 326.554 1.914 20 0 EDADHO Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc(N)n1 ZINC000767312921 580186220 /nfs/dbraw/zinc/18/62/20/580186220.db2.gz VBQLOTZJMILEEJ-INIZCTEOSA-N 1 3 327.432 1.936 20 0 EDADHO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)nc(N)n1 ZINC000767312921 580186221 /nfs/dbraw/zinc/18/62/21/580186221.db2.gz VBQLOTZJMILEEJ-INIZCTEOSA-N 1 3 327.432 1.936 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000775011419 580380783 /nfs/dbraw/zinc/38/07/83/580380783.db2.gz JPEXRZPYZMOZJF-HNNXBMFYSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000795927179 580941460 /nfs/dbraw/zinc/94/14/60/580941460.db2.gz BTALOPBAHKVBDL-ZACQAIPSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[C@@H]1OCC[C@H]1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000795927179 580941461 /nfs/dbraw/zinc/94/14/61/580941461.db2.gz BTALOPBAHKVBDL-ZACQAIPSSA-N 1 3 325.497 1.676 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000891816302 590634580 /nfs/dbraw/zinc/63/45/80/590634580.db2.gz VKVZRKPGHHXCNU-SJLPKXTDSA-N 1 3 346.475 1.473 20 0 EDADHO COCCNC(=O)[C@H](Cc1ccccc1)NCC1CC[NH+](C)CC1 ZINC000893181668 590699523 /nfs/dbraw/zinc/69/95/23/590699523.db2.gz GSNAZYHZZFLLEI-SFHVURJKSA-N 1 3 333.476 1.292 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000892117976 590808395 /nfs/dbraw/zinc/80/83/95/590808395.db2.gz BENJVOKZJQLOCV-DOTOQJQBSA-N 1 3 346.475 1.018 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000892117976 590808397 /nfs/dbraw/zinc/80/83/97/590808397.db2.gz BENJVOKZJQLOCV-DOTOQJQBSA-N 1 3 346.475 1.018 20 0 EDADHO CC(C)[NH+]1CCC(CCNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000892155425 590827000 /nfs/dbraw/zinc/82/70/00/590827000.db2.gz AIPPNVRVKPXKJS-CQSZACIVSA-N 1 3 332.439 1.793 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292436 590919318 /nfs/dbraw/zinc/91/93/18/590919318.db2.gz RJGQNWXONDOYGO-QGZVFWFLSA-N 1 3 334.464 1.234 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892394172 591008839 /nfs/dbraw/zinc/00/88/39/591008839.db2.gz LMRVGBXITQEQCV-INIZCTEOSA-N 1 3 347.507 1.933 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399940 591011514 /nfs/dbraw/zinc/01/15/14/591011514.db2.gz LNCYQHHGPSUXOT-GOSISDBHSA-N 1 3 332.492 1.930 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892478187 591041240 /nfs/dbraw/zinc/04/12/40/591041240.db2.gz JOJHTIZZRCUIHO-DLBZAZTESA-N 1 3 330.476 1.778 20 0 EDADHO CN1CCN(CCCC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563615 591074932 /nfs/dbraw/zinc/07/49/32/591074932.db2.gz SWEZMWGNWZXGID-CVEARBPZSA-N 1 3 329.460 1.237 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891456271 591078878 /nfs/dbraw/zinc/07/88/78/591078878.db2.gz MRSZFMUVRCOPSN-JCNLHEQBSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599753 591089240 /nfs/dbraw/zinc/08/92/40/591089240.db2.gz UIKPEIVANYQGME-YYIAUSFCSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000891514618 591104007 /nfs/dbraw/zinc/10/40/07/591104007.db2.gz VITCTKCFGKAMCM-ZBFHGGJFSA-N 1 3 334.464 1.301 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538394 591112984 /nfs/dbraw/zinc/11/29/84/591112984.db2.gz XJNJYEMKYCGSTG-GJZGRUSLSA-N 1 3 326.485 1.175 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000891626675 591156274 /nfs/dbraw/zinc/15/62/74/591156274.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000891626675 591156276 /nfs/dbraw/zinc/15/62/76/591156276.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789083 591179258 /nfs/dbraw/zinc/17/92/58/591179258.db2.gz NGTBYOYVLBNEEK-DLBZAZTESA-N 1 3 330.476 1.873 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789083 591179261 /nfs/dbraw/zinc/17/92/61/591179261.db2.gz NGTBYOYVLBNEEK-DLBZAZTESA-N 1 3 330.476 1.873 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789085 591179520 /nfs/dbraw/zinc/17/95/20/591179520.db2.gz NGTBYOYVLBNEEK-IAGOWNOFSA-N 1 3 330.476 1.873 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892789085 591179524 /nfs/dbraw/zinc/17/95/24/591179524.db2.gz NGTBYOYVLBNEEK-IAGOWNOFSA-N 1 3 330.476 1.873 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000892812912 591190357 /nfs/dbraw/zinc/19/03/57/591190357.db2.gz FPJCBQHDRAJMQG-SFHVURJKSA-N 1 3 342.487 1.971 20 0 EDADHO CCO[C@@H]1C[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1OC ZINC000892867577 591208432 /nfs/dbraw/zinc/20/84/32/591208432.db2.gz XRUCXMQGMNGWMU-RCCFBDPRSA-N 1 3 349.475 1.260 20 0 EDADHO Cn1nc(Br)nc1CNC1CCC(C[NH+](C)C)CC1 ZINC000894356035 591288518 /nfs/dbraw/zinc/28/85/18/591288518.db2.gz DPQVDYPBDXOZIP-UHFFFAOYSA-N 1 3 330.274 1.788 20 0 EDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454962 591316891 /nfs/dbraw/zinc/31/68/91/591316891.db2.gz CQNAORGGLZFKQS-LSDHHAIUSA-N 1 3 331.526 1.366 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894924831 591478959 /nfs/dbraw/zinc/47/89/59/591478959.db2.gz BYCGIMPVBNSAMM-BRWVUGGUSA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894924831 591478961 /nfs/dbraw/zinc/47/89/61/591478961.db2.gz BYCGIMPVBNSAMM-BRWVUGGUSA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894987165 591512838 /nfs/dbraw/zinc/51/28/38/591512838.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894987165 591512841 /nfs/dbraw/zinc/51/28/41/591512841.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 1 3 340.512 1.347 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C1CN(C2CCOCC2)C1)CC(C)C ZINC000896891289 591655132 /nfs/dbraw/zinc/65/51/32/591655132.db2.gz CWRQVENBNRWDNV-GOSISDBHSA-N 1 3 339.524 1.970 20 0 EDADHO CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000895207430 591657040 /nfs/dbraw/zinc/65/70/40/591657040.db2.gz LYPNKIUOYRZDMD-UHFFFAOYSA-N 1 3 341.496 1.821 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)C2CN(C3CCOCC3)C2)c1 ZINC000895609774 591821638 /nfs/dbraw/zinc/82/16/38/591821638.db2.gz PXMMVRLQUDOCSJ-UHFFFAOYSA-N 1 3 331.460 1.475 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946378 /nfs/dbraw/zinc/94/63/78/591946378.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946382 /nfs/dbraw/zinc/94/63/82/591946382.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(c2ncccc2CN[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902319959 591969207 /nfs/dbraw/zinc/96/92/07/591969207.db2.gz NHYJHVPKOOPMME-KRWDZBQOSA-N 1 3 331.508 1.701 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)(N2CCOCC2)CC1 ZINC000903018209 592097283 /nfs/dbraw/zinc/09/72/83/592097283.db2.gz YXIQITVCIBFEGF-NTZUZEMLSA-N 1 3 349.519 1.186 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CCO1 ZINC000900739647 592114072 /nfs/dbraw/zinc/11/40/72/592114072.db2.gz RLHSGHDBYNSDEB-INIZCTEOSA-N 1 3 330.432 1.693 20 0 EDADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903105330 592120764 /nfs/dbraw/zinc/12/07/64/592120764.db2.gz BADQFXKLCKHJAV-WOJBJXKFSA-N 1 3 346.471 1.681 20 0 EDADHO C[N@@H+]1CC[C@@H](NCCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180612 592131119 /nfs/dbraw/zinc/13/11/19/592131119.db2.gz GFKYOKBCLLFGTP-MRXNPFEDSA-N 1 3 331.460 1.870 20 0 EDADHO C[N@H+]1CC[C@@H](NCCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180612 592131121 /nfs/dbraw/zinc/13/11/21/592131121.db2.gz GFKYOKBCLLFGTP-MRXNPFEDSA-N 1 3 331.460 1.870 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240731 592142794 /nfs/dbraw/zinc/14/27/94/592142794.db2.gz AWYVZVXPOHSOBA-CMPLNLGQSA-N 1 3 348.369 1.331 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)NC1CCCCC1)C2 ZINC000903493437 592185594 /nfs/dbraw/zinc/18/55/94/592185594.db2.gz XTXGOVSNNZZYHE-FLTUCWPJSA-N 1 3 337.464 1.036 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCOCC(F)(F)C(F)F)C2 ZINC000903493523 592186331 /nfs/dbraw/zinc/18/63/31/592186331.db2.gz UDONAGHTSBMGRC-CWSCBRNRSA-N 1 3 342.333 1.116 20 0 EDADHO CCN1CCC(NC(=O)CN2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567967 592223810 /nfs/dbraw/zinc/22/38/10/592223810.db2.gz HGGURFZAKFYOPM-AWEZNQCLSA-N 1 3 348.466 1.364 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000907958522 592233218 /nfs/dbraw/zinc/23/32/18/592233218.db2.gz GDKCJDDHPPCBCC-UHFFFAOYSA-N 1 3 338.540 1.737 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649246 592233876 /nfs/dbraw/zinc/23/38/76/592233876.db2.gz BDJHKDQTNRSCJJ-HNNXBMFYSA-N 1 3 332.448 1.419 20 0 EDADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000904391511 592242960 /nfs/dbraw/zinc/24/29/60/592242960.db2.gz HNGGQJRQHXRJJP-MRXNPFEDSA-N 1 3 327.432 1.802 20 0 EDADHO C[C@]1(CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384356 592247344 /nfs/dbraw/zinc/24/73/44/592247344.db2.gz JPEODJLATSATNA-VXNCWWDNSA-N 1 3 337.508 1.508 20 0 EDADHO C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCCNC1 ZINC000904384356 592247347 /nfs/dbraw/zinc/24/73/47/592247347.db2.gz JPEODJLATSATNA-VXNCWWDNSA-N 1 3 337.508 1.508 20 0 EDADHO C[C@]1(C[N@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCCNC1 ZINC000904384356 592247350 /nfs/dbraw/zinc/24/73/50/592247350.db2.gz JPEODJLATSATNA-VXNCWWDNSA-N 1 3 337.508 1.508 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679866 592260898 /nfs/dbraw/zinc/26/08/98/592260898.db2.gz NCHYIGLNKIQJEN-HNNXBMFYSA-N 1 3 332.448 1.372 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906681171 592262727 /nfs/dbraw/zinc/26/27/27/592262727.db2.gz JNCDCHNAUUSOBR-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CCNCC4)o3)[C@H]2C1 ZINC000904475175 592269624 /nfs/dbraw/zinc/26/96/24/592269624.db2.gz ZIRGLWOKQRANIG-LUYZLQTOSA-N 1 3 333.432 1.367 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000904509710 592273295 /nfs/dbraw/zinc/27/32/95/592273295.db2.gz JYWINTUYHBGAKO-IAGOWNOFSA-N 1 3 332.448 1.469 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901173420 592275711 /nfs/dbraw/zinc/27/57/11/592275711.db2.gz ZBANSRAXFALQRP-HNNXBMFYSA-N 1 3 328.460 1.819 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 ZINC000904515191 592275885 /nfs/dbraw/zinc/27/58/85/592275885.db2.gz IYASBLILSHWUGJ-DLBZAZTESA-N 1 3 332.448 1.469 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904530831 592279990 /nfs/dbraw/zinc/27/99/90/592279990.db2.gz PIESUUVIICUCAQ-SUMWQHHRSA-N 1 3 332.452 1.495 20 0 EDADHO O=C(C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903717683 592280715 /nfs/dbraw/zinc/28/07/15/592280715.db2.gz CZHDFHMNQBWAGP-PKOBYXMFSA-N 1 3 335.492 1.480 20 0 EDADHO O=C(NCC(F)(F)F)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723607 592283626 /nfs/dbraw/zinc/28/36/26/592283626.db2.gz WWGFWXKOSKCNHE-ZFWWWQNUSA-N 1 3 349.397 1.146 20 0 EDADHO CCCCNC(=O)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903724423 592284174 /nfs/dbraw/zinc/28/41/74/592284174.db2.gz NNSQJVGLFFLOFG-KRWDZBQOSA-N 1 3 337.508 1.773 20 0 EDADHO FC(F)(F)COCCCN1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903726484 592284750 /nfs/dbraw/zinc/28/47/50/592284750.db2.gz MDFPXMUMDJCVQY-OAHLLOKOSA-N 1 3 337.430 1.963 20 0 EDADHO CN1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296699 /nfs/dbraw/zinc/29/66/99/592296699.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 1 3 331.460 1.395 20 0 EDADHO CN1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296703 /nfs/dbraw/zinc/29/67/03/592296703.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 1 3 331.460 1.395 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753146 592297157 /nfs/dbraw/zinc/29/71/57/592297157.db2.gz RSQPCIWPPWAZKJ-IXDOHACOSA-N 1 3 325.497 1.186 20 0 EDADHO C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000903740142 592301586 /nfs/dbraw/zinc/30/15/86/592301586.db2.gz SEFWTWSBMCAXFN-CVEARBPZSA-N 1 3 345.491 1.562 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)ccn1 ZINC000901254205 592313172 /nfs/dbraw/zinc/31/31/72/592313172.db2.gz CFASIFRMFLWBPF-IAGOWNOFSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)ccn1 ZINC000901254205 592313174 /nfs/dbraw/zinc/31/31/74/592313174.db2.gz CFASIFRMFLWBPF-IAGOWNOFSA-N 1 3 346.475 1.655 20 0 EDADHO COc1ccc([C@H]2CNCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782689 592320867 /nfs/dbraw/zinc/32/08/67/592320867.db2.gz QPNVTKLVNSQSIA-RTBURBONSA-N 1 3 345.487 1.800 20 0 EDADHO Cc1noc(C[C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824431 592334524 /nfs/dbraw/zinc/33/45/24/592334524.db2.gz QPFRNYWWIFRFNQ-HOTGVXAUSA-N 1 3 334.464 1.791 20 0 EDADHO COc1ccccc1N1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903830250 592336173 /nfs/dbraw/zinc/33/61/73/592336173.db2.gz XHWFFEXBEQUUKE-INIZCTEOSA-N 1 3 331.460 1.728 20 0 EDADHO CC(=O)N(C[C@@H]1CCCN1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915449 592370382 /nfs/dbraw/zinc/37/03/82/592370382.db2.gz YSDFXFYRMRJLSP-LPHOPBHVSA-N 1 3 347.507 1.321 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCc3ccc(O)cc3CC2)cnn1C ZINC000903904378 592372765 /nfs/dbraw/zinc/37/27/65/592372765.db2.gz TVFCWNOYDOHYDI-HNNXBMFYSA-N 1 3 328.460 1.652 20 0 EDADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)C[C@]1(O)CCOC1 ZINC000905037126 592374219 /nfs/dbraw/zinc/37/42/19/592374219.db2.gz VYKPKLNFNCDTKN-RTBURBONSA-N 1 3 334.460 1.274 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903926991 592381360 /nfs/dbraw/zinc/38/13/60/592381360.db2.gz WOOABDGEWXESBT-DOMZBBRYSA-N 1 3 331.468 1.274 20 0 EDADHO NC(=O)c1cc(F)ccc1N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933380 592385260 /nfs/dbraw/zinc/38/52/60/592385260.db2.gz PUOQEWARJVFJOA-VHRNVKJDSA-N 1 3 346.450 1.577 20 0 EDADHO COc1cccc2c1OC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903937182 592387288 /nfs/dbraw/zinc/38/72/88/592387288.db2.gz DMJAFFOKFCWGTB-CABCVRRESA-N 1 3 343.431 1.305 20 0 EDADHO CN(C)CCOc1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974613 592398809 /nfs/dbraw/zinc/39/88/09/592398809.db2.gz RXHGTXHEDNKKIY-GOSISDBHSA-N 1 3 347.503 1.875 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000905128612 592428286 /nfs/dbraw/zinc/42/82/86/592428286.db2.gz SQISYUYGEGJJKQ-NVXWUHKLSA-N 1 3 326.481 1.133 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H](O)C2(O)CCCC2)(N2CCCCC2)CC1 ZINC000905133140 592430259 /nfs/dbraw/zinc/43/02/59/592430259.db2.gz DLHLIRVDFYDIFC-QGZVFWFLSA-N 1 3 339.524 1.192 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905399330 592521389 /nfs/dbraw/zinc/52/13/89/592521389.db2.gz KVVLFSRKMJKCRX-NZSAHSFTSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905399330 592521391 /nfs/dbraw/zinc/52/13/91/592521391.db2.gz KVVLFSRKMJKCRX-NZSAHSFTSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905399330 592521393 /nfs/dbraw/zinc/52/13/93/592521393.db2.gz KVVLFSRKMJKCRX-NZSAHSFTSA-N 1 3 348.487 1.247 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC000905503255 592546027 /nfs/dbraw/zinc/54/60/27/592546027.db2.gz OIEYWDMWKJCBBN-FAJAVTLNSA-N 1 3 348.487 1.496 20 0 EDADHO CC(C)C[C@@H](N)C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000906097036 592741271 /nfs/dbraw/zinc/74/12/71/592741271.db2.gz LIPYLWLQNUQZRQ-CABCVRRESA-N 1 3 333.480 1.264 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000906644441 592865436 /nfs/dbraw/zinc/86/54/36/592865436.db2.gz ASGKCZSZYIOFGX-UHFFFAOYSA-N 1 3 344.459 1.561 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000910864364 592898028 /nfs/dbraw/zinc/89/80/28/592898028.db2.gz KSVHAMCKHGQKRE-UHFFFAOYSA-N 1 3 339.524 1.660 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000910864364 592898029 /nfs/dbraw/zinc/89/80/29/592898029.db2.gz KSVHAMCKHGQKRE-UHFFFAOYSA-N 1 3 339.524 1.660 20 0 EDADHO N[C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911623420 592967625 /nfs/dbraw/zinc/96/76/25/592967625.db2.gz NKEOKBXFFYROAG-KGLIPLIRSA-N 1 3 340.265 1.659 20 0 EDADHO N[C@@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)cc1F ZINC000911713953 592986281 /nfs/dbraw/zinc/98/62/81/592986281.db2.gz MYGZARDJJFWIFB-NEPJUHHUSA-N 1 3 329.366 1.622 20 0 EDADHO CCc1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1 ZINC000912302402 593084323 /nfs/dbraw/zinc/08/43/23/593084323.db2.gz CBEVPISURDSSQR-AWEZNQCLSA-N 1 3 349.523 1.587 20 0 EDADHO CCc1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1 ZINC000912302402 593084324 /nfs/dbraw/zinc/08/43/24/593084324.db2.gz CBEVPISURDSSQR-AWEZNQCLSA-N 1 3 349.523 1.587 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(NC2CC2)s1 ZINC000912302529 593084416 /nfs/dbraw/zinc/08/44/16/593084416.db2.gz DMEWEADHQSIUII-LBPRGKRZSA-N 1 3 339.509 1.719 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(NC2CC2)s1 ZINC000912302529 593084417 /nfs/dbraw/zinc/08/44/17/593084417.db2.gz DMEWEADHQSIUII-LBPRGKRZSA-N 1 3 339.509 1.719 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303558 593085102 /nfs/dbraw/zinc/08/51/02/593085102.db2.gz KMLBZRZCRGSDOT-ZNMIVQPWSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303558 593085103 /nfs/dbraw/zinc/08/51/03/593085103.db2.gz KMLBZRZCRGSDOT-ZNMIVQPWSA-N 1 3 335.496 1.464 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838672793 593204557 /nfs/dbraw/zinc/20/45/57/593204557.db2.gz WGBOZYCIXDOIKZ-CYBMUJFWSA-N 1 3 339.311 1.705 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000817778668 593631253 /nfs/dbraw/zinc/63/12/53/593631253.db2.gz TZNSRUHHKCZYEC-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000817778668 593631255 /nfs/dbraw/zinc/63/12/55/593631255.db2.gz TZNSRUHHKCZYEC-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894088 593646465 /nfs/dbraw/zinc/64/64/65/593646465.db2.gz AAMOIGXOXKOCRI-GDLCADMTSA-N 1 3 326.824 1.862 20 0 EDADHO CON(C)C(=O)CC[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000819065437 593737046 /nfs/dbraw/zinc/73/70/46/593737046.db2.gz INNGRRWKRRDEMV-UHFFFAOYSA-N 1 3 335.448 1.143 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691454 594057255 /nfs/dbraw/zinc/05/72/55/594057255.db2.gz DGKNZHLXBCRHTR-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907507 594599592 /nfs/dbraw/zinc/59/95/92/594599592.db2.gz QEYDQDLHZLKELN-RTBURBONSA-N 1 3 344.503 1.609 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000841018591 594840467 /nfs/dbraw/zinc/84/04/67/594840467.db2.gz XMUIZUSGDNUOIU-RHSMWYFYSA-N 1 3 331.464 1.639 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000841020470 594840630 /nfs/dbraw/zinc/84/06/30/594840630.db2.gz RQQGQQGRMDYWJO-ZIAGYGMSSA-N 1 3 332.448 1.635 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841305419 594883286 /nfs/dbraw/zinc/88/32/86/594883286.db2.gz BXURXVFUELFWFI-IRXDYDNUSA-N 1 3 330.432 1.317 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841790278 594953440 /nfs/dbraw/zinc/95/34/40/594953440.db2.gz BNCFFYQQAKNNBS-DLBZAZTESA-N 1 3 332.448 1.020 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847337 594964838 /nfs/dbraw/zinc/96/48/38/594964838.db2.gz UPCQMGTYQHTPPO-OCCSQVGLSA-N 1 3 331.416 1.674 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000841897543 594976385 /nfs/dbraw/zinc/97/63/85/594976385.db2.gz ZRRRJFXCUBQCME-HKUYNNGSSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000841990320 594996715 /nfs/dbraw/zinc/99/67/15/594996715.db2.gz WUOLXBBQWPAFSE-AEFFLSMTSA-N 1 3 332.492 1.800 20 0 EDADHO C[NH2+]C[C@@H](C)c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000843207109 595034970 /nfs/dbraw/zinc/03/49/70/595034970.db2.gz LDHIRWNTHAEELJ-CYBMUJFWSA-N 1 3 330.436 1.596 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330148 595076079 /nfs/dbraw/zinc/07/60/79/595076079.db2.gz RGKTVINWRYHEDR-ZDUSSCGKSA-N 1 3 341.358 1.516 20 0 EDADHO COc1ccc(CN(C)C(=O)CN(C)C2CCC([NH3+])CC2)cc1OC ZINC000843353852 595084226 /nfs/dbraw/zinc/08/42/26/595084226.db2.gz NDMAUHCBYVKYPP-UHFFFAOYSA-N 1 3 349.475 1.864 20 0 EDADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355526 595085334 /nfs/dbraw/zinc/08/53/34/595085334.db2.gz TYRMNWKFQCXEKX-NRXISQOPSA-N 1 3 325.453 1.132 20 0 EDADHO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843485207 595126147 /nfs/dbraw/zinc/12/61/47/595126147.db2.gz JCTIHEKJAMKMCN-QZTJIDSGSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)C1(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000840532593 595260748 /nfs/dbraw/zinc/26/07/48/595260748.db2.gz ZCGBNSKCRURZGZ-UHFFFAOYSA-N 1 3 345.487 1.614 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000844165226 595288380 /nfs/dbraw/zinc/28/83/80/595288380.db2.gz VQXNOSDHKFGULK-UHFFFAOYSA-N 1 3 345.487 1.839 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2)CC1 ZINC000846674824 595298760 /nfs/dbraw/zinc/29/87/60/595298760.db2.gz VIMOLASTDUFNFQ-KXBFYZLASA-N 1 3 344.459 1.003 20 0 EDADHO C[C@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844220394 595305495 /nfs/dbraw/zinc/30/54/95/595305495.db2.gz VSAPZTNCYBBTAH-YJBOKZPZSA-N 1 3 346.475 1.521 20 0 EDADHO COc1ccccc1[C@H](O)CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848524815 595402568 /nfs/dbraw/zinc/40/25/68/595402568.db2.gz XLYWMGIKVFSMCZ-FUHWJXTLSA-N 1 3 334.460 1.962 20 0 EDADHO COc1ccc(OC)c(NC(=[NH2+])NCCCN(C)CCN(C)C)c1 ZINC000849079227 595479122 /nfs/dbraw/zinc/47/91/22/595479122.db2.gz AGERJSNMXPKZPN-UHFFFAOYSA-N 1 3 337.468 1.524 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849582070 595581288 /nfs/dbraw/zinc/58/12/88/595581288.db2.gz KOIMCJVTTYGMQX-IRXDYDNUSA-N 1 3 335.496 1.256 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585909 595582534 /nfs/dbraw/zinc/58/25/34/595582534.db2.gz MZNSOLXZRWOPLJ-CVEARBPZSA-N 1 3 333.480 1.056 20 0 EDADHO NC[C@@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)=NO1 ZINC000852863520 595583849 /nfs/dbraw/zinc/58/38/49/595583849.db2.gz PNTNFWAODXGBRM-KRWDZBQOSA-N 1 3 344.459 1.782 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C2=NO[C@@H](CN)C2)C[N@@H+]1Cc1ccccc1 ZINC000852888019 595599565 /nfs/dbraw/zinc/59/95/65/595599565.db2.gz GYLHJKKHAKZHEP-DJIMGWMZSA-N 1 3 344.459 1.507 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)C2=NO[C@@H](CN)C2)C[N@H+]1Cc1ccccc1 ZINC000852888019 595599566 /nfs/dbraw/zinc/59/95/66/595599566.db2.gz GYLHJKKHAKZHEP-DJIMGWMZSA-N 1 3 344.459 1.507 20 0 EDADHO CCOC(=O)NC1CCC([NH2+]CCCCN2CCN(C)CC2)CC1 ZINC000850422955 595831330 /nfs/dbraw/zinc/83/13/30/595831330.db2.gz JIXAQKRGKPRCEM-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CCOC(=O)N1CCC([C@H](C)NC[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956706 595985932 /nfs/dbraw/zinc/98/59/32/595985932.db2.gz ZVYXHIMMNJFGMB-HOCLYGCPSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956706 595985935 /nfs/dbraw/zinc/98/59/35/595985935.db2.gz ZVYXHIMMNJFGMB-HOCLYGCPSA-N 1 3 329.485 1.534 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000852064201 596030503 /nfs/dbraw/zinc/03/05/03/596030503.db2.gz VOSUJPDWRMZMSV-ULQDDVLXSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](CNC(=O)NC1CCN([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000852185683 596075632 /nfs/dbraw/zinc/07/56/32/596075632.db2.gz ROSSPAVRKQGGDV-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1(C)C ZINC000870993723 596432590 /nfs/dbraw/zinc/43/25/90/596432590.db2.gz KZSDDKVEUCKMAK-XWIAVFTESA-N 1 3 325.497 1.742 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863552539 596615830 /nfs/dbraw/zinc/61/58/30/596615830.db2.gz MJEXEMOUAXLQBS-CABCVRRESA-N 1 3 327.469 1.432 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650859 596644784 /nfs/dbraw/zinc/64/47/84/596644784.db2.gz DFWRMDAGWRCGTF-DSLXNQLJSA-N 1 3 327.472 1.919 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650859 596644787 /nfs/dbraw/zinc/64/47/87/596644787.db2.gz DFWRMDAGWRCGTF-DSLXNQLJSA-N 1 3 327.472 1.919 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2coc3c2C(=O)CCC3)C[C@H]1C[NH+](C)C ZINC000870017550 596709692 /nfs/dbraw/zinc/70/96/92/596709692.db2.gz PSFCQHGSFOXUHD-ZIAGYGMSSA-N 1 3 347.459 1.610 20 0 EDADHO CC1(C)CO[C@H](CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000872144689 596810098 /nfs/dbraw/zinc/81/00/98/596810098.db2.gz ILKRBAYQUHZMRZ-XHSDSOJGSA-N 1 3 336.480 1.022 20 0 EDADHO CC1(C)CO[C@H](CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144692 596810285 /nfs/dbraw/zinc/81/02/85/596810285.db2.gz DQFMGUAJLAHAMN-CVEARBPZSA-N 1 3 347.507 1.814 20 0 EDADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000872189367 596827344 /nfs/dbraw/zinc/82/73/44/596827344.db2.gz GJQOFLQXEFHBNP-INIZCTEOSA-N 1 3 338.496 1.051 20 0 EDADHO CC(C)(CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254695 596855417 /nfs/dbraw/zinc/85/54/17/596855417.db2.gz BSNYAMIYHPYZSK-BBWFWOEESA-N 1 3 329.444 1.831 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000876165270 597118471 /nfs/dbraw/zinc/11/84/71/597118471.db2.gz NYUQSLCUJXMBCB-IRXDYDNUSA-N 1 3 340.512 1.184 20 0 EDADHO CC(C)OCCOC[C@H](O)CN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203488 597226109 /nfs/dbraw/zinc/22/61/09/597226109.db2.gz FBONNDFIYJILEQ-OAHLLOKOSA-N 1 3 342.505 1.628 20 0 EDADHO COc1ccc([C@H](N[C@H]2CCN(CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235111 597234771 /nfs/dbraw/zinc/23/47/71/597234771.db2.gz JHOONSUBDXXTGS-WDSOQIARSA-N 1 3 347.503 1.923 20 0 EDADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000876728483 597308701 /nfs/dbraw/zinc/30/87/01/597308701.db2.gz NLBBGQXEQFSZNB-UUJPXIBMSA-N 1 3 337.533 1.876 20 0 EDADHO CN(C(=O)CC[NH2+]CC1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000876742703 597317790 /nfs/dbraw/zinc/31/77/90/597317790.db2.gz RHWCYAMTLYPYNX-UHFFFAOYSA-N 1 3 344.503 1.937 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876897422 597375973 /nfs/dbraw/zinc/37/59/73/597375973.db2.gz RXIIPUHTAXXQOG-UGFHNGPFSA-N 1 3 338.402 1.563 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876898531 597376633 /nfs/dbraw/zinc/37/66/33/597376633.db2.gz SKXUTJAITMFOJA-UKPHBRMFSA-N 1 3 334.439 1.671 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000877081559 597427997 /nfs/dbraw/zinc/42/79/97/597427997.db2.gz PPXMZVZVDYKJPD-LSDHHAIUSA-N 1 3 327.444 1.037 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877341173 597495812 /nfs/dbraw/zinc/49/58/12/597495812.db2.gz VBJVJOPXSWVWPR-PKOBYXMFSA-N 1 3 339.439 1.396 20 0 EDADHO NC1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)Cc2ccccc2C1 ZINC000877372051 597503877 /nfs/dbraw/zinc/50/38/77/597503877.db2.gz YKMZHZXWZLAEBT-CHWSQXEVSA-N 1 3 327.350 1.078 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(F)CC3)CC2)CC1 ZINC000883248093 597693192 /nfs/dbraw/zinc/69/31/92/597693192.db2.gz HKKFFFGGBJSHGM-UHFFFAOYSA-N 1 3 326.460 1.689 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000884185861 598018220 /nfs/dbraw/zinc/01/82/20/598018220.db2.gz JULPTLXQASQXKM-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000884185861 598018222 /nfs/dbraw/zinc/01/82/22/598018222.db2.gz JULPTLXQASQXKM-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO CN(C(=O)[C@H]1C[NH2+]CC1(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000884206583 598028392 /nfs/dbraw/zinc/02/83/92/598028392.db2.gz YPZLWFBTVOQYEQ-GOSISDBHSA-N 1 3 344.503 1.793 20 0 EDADHO CN1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCC1(C)C ZINC000884464827 598113095 /nfs/dbraw/zinc/11/30/95/598113095.db2.gz DBEKWXDGZDPTBC-UHFFFAOYSA-N 1 3 331.464 1.048 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993929363 696448383 /nfs/dbraw/zinc/44/83/83/696448383.db2.gz PKWMLAAXRJWBPW-AEFFLSMTSA-N 1 3 347.507 1.584 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667016 697447878 /nfs/dbraw/zinc/44/78/78/697447878.db2.gz VNPSOLSQSQVJBH-GOSISDBHSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3nccn3C)CC2)CC[N@@H+]1C ZINC000940123568 700256810 /nfs/dbraw/zinc/25/68/10/700256810.db2.gz MLQAFSBCRILDOJ-JKSUJKDBSA-N 1 3 347.507 1.621 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3nccn3C)CC2)CC[N@H+]1C ZINC000940123568 700256812 /nfs/dbraw/zinc/25/68/12/700256812.db2.gz MLQAFSBCRILDOJ-JKSUJKDBSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939212639 699361552 /nfs/dbraw/zinc/36/15/52/699361552.db2.gz ZWJLOVHDBCRPLU-CXAGYDPISA-N 1 3 328.416 1.081 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1ccns1 ZINC000939257020 699434523 /nfs/dbraw/zinc/43/45/23/699434523.db2.gz IGIQHLMMMFQHPP-BBRMVZONSA-N 1 3 336.505 1.812 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941677382 701615936 /nfs/dbraw/zinc/61/59/36/701615936.db2.gz NWMISEYHLJLFOT-UHFFFAOYSA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)CCC1 ZINC000940150326 700263749 /nfs/dbraw/zinc/26/37/49/700263749.db2.gz WQJMCMDWWWDHDM-UHFFFAOYSA-N 1 3 337.493 1.493 20 0 EDADHO Cc1nc(C)c(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940328015 700505624 /nfs/dbraw/zinc/50/56/24/700505624.db2.gz CKZXFRJRFKEYIM-CZUORRHYSA-N 1 3 348.491 1.960 20 0 EDADHO Cc1nc(C)c(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940328015 700505627 /nfs/dbraw/zinc/50/56/27/700505627.db2.gz CKZXFRJRFKEYIM-CZUORRHYSA-N 1 3 348.491 1.960 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940329251 700508374 /nfs/dbraw/zinc/50/83/74/700508374.db2.gz SJQDUBVHKHWRQM-HNNXBMFYSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995123559 701175311 /nfs/dbraw/zinc/17/53/11/701175311.db2.gz XICRHHSRJLNXFA-IAGOWNOFSA-N 1 3 347.507 1.527 20 0 EDADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941443220 701535374 /nfs/dbraw/zinc/53/53/74/701535374.db2.gz LTCJSYAFNLAYTJ-SFHVURJKSA-N 1 3 348.535 1.489 20 0 EDADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941443220 701535375 /nfs/dbraw/zinc/53/53/75/701535375.db2.gz LTCJSYAFNLAYTJ-SFHVURJKSA-N 1 3 348.535 1.489 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2ccns2)C1 ZINC000999177355 706619871 /nfs/dbraw/zinc/61/98/71/706619871.db2.gz XZPVDHSHYDVZRF-GOEBONIOSA-N 1 3 334.489 1.566 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1NCc1cccnc1 ZINC000995825296 702096780 /nfs/dbraw/zinc/09/67/80/702096780.db2.gz RSSDCYLAJRHZAV-MSOLQXFVSA-N 1 3 342.487 1.750 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@@H]3CCCO3)C(C)(C)C2)CCC1 ZINC000995884646 702218680 /nfs/dbraw/zinc/21/86/80/702218680.db2.gz GXHKLAQTPRBVMU-JKSUJKDBSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999221392 706651911 /nfs/dbraw/zinc/65/19/11/706651911.db2.gz APEDERPNBRSIEN-UHFFFAOYSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996243086 702647443 /nfs/dbraw/zinc/64/74/43/702647443.db2.gz CBZDLVQUCRVVCW-DLBZAZTESA-N 1 3 349.523 1.641 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246633 702650061 /nfs/dbraw/zinc/65/00/61/702650061.db2.gz JHRBBJBTASMOID-KRWDZBQOSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302692 702694924 /nfs/dbraw/zinc/69/49/24/702694924.db2.gz YVVKXQJEDPZONW-NVXWUHKLSA-N 1 3 330.476 1.750 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953209 702802427 /nfs/dbraw/zinc/80/24/27/702802427.db2.gz KXCRNUKEHKIAEH-QGZVFWFLSA-N 1 3 337.508 1.558 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1cnccn1 ZINC000996664736 702967044 /nfs/dbraw/zinc/96/70/44/702967044.db2.gz IIYAODJMHNOCOU-AWEZNQCLSA-N 1 3 331.464 1.603 20 0 EDADHO Cc1ncccc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664807 702967175 /nfs/dbraw/zinc/96/71/75/702967175.db2.gz JCOIXKDANQJYFX-UHFFFAOYSA-N 1 3 330.476 1.955 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000996696805 702995554 /nfs/dbraw/zinc/99/55/54/702995554.db2.gz PURTZQHPFYZOBK-SJORKVTESA-N 1 3 339.524 1.968 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1)N(C)C ZINC000996713351 703008263 /nfs/dbraw/zinc/00/82/63/703008263.db2.gz UFFQLGMAPOXZDE-QZTJIDSGSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001032027829 703050085 /nfs/dbraw/zinc/05/00/85/703050085.db2.gz ZHIVNAVAUUUMKO-WMZOPIPTSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006875 703264197 /nfs/dbraw/zinc/26/41/97/703264197.db2.gz HCGPQHHOPDBEGI-SWLSCSKDSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006875 703264199 /nfs/dbraw/zinc/26/41/99/703264199.db2.gz HCGPQHHOPDBEGI-SWLSCSKDSA-N 1 3 336.505 1.730 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1)[NH+]1CCCCC1 ZINC001032404197 703423712 /nfs/dbraw/zinc/42/37/12/703423712.db2.gz AXXYSLSVYJLVTG-ROUUACIJSA-N 1 3 349.519 1.963 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1 ZINC001032407391 703432871 /nfs/dbraw/zinc/43/28/71/703432871.db2.gz CJKAKRHTJKPDEY-FHWLQOOXSA-N 1 3 347.503 1.430 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000997178046 703464602 /nfs/dbraw/zinc/46/46/02/703464602.db2.gz ANEYRVUWYAXIAK-MAUKXSAKSA-N 1 3 347.507 1.621 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)C1 ZINC000997298339 703556077 /nfs/dbraw/zinc/55/60/77/703556077.db2.gz IOZWCFPGMPRDRL-AWEZNQCLSA-N 1 3 336.867 1.767 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)C1 ZINC000997298339 703556078 /nfs/dbraw/zinc/55/60/78/703556078.db2.gz IOZWCFPGMPRDRL-AWEZNQCLSA-N 1 3 336.867 1.767 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000997366344 703600129 /nfs/dbraw/zinc/60/01/29/703600129.db2.gz CZJHUYXIZWDLHJ-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366956 703600984 /nfs/dbraw/zinc/60/09/84/703600984.db2.gz QVYZBJWEADBURI-YJBOKZPZSA-N 1 3 345.491 1.993 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000997611778 703911986 /nfs/dbraw/zinc/91/19/86/703911986.db2.gz HIGFFZDPXVXGBL-CRAIPNDOSA-N 1 3 345.491 1.768 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000922852618 704438860 /nfs/dbraw/zinc/43/88/60/704438860.db2.gz MLUZOBOXIHGFSX-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000922852618 704438862 /nfs/dbraw/zinc/43/88/62/704438862.db2.gz MLUZOBOXIHGFSX-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786886 704696101 /nfs/dbraw/zinc/69/61/01/704696101.db2.gz RKHFIVGFWNJONP-DOTOQJQBSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000997823336 704744967 /nfs/dbraw/zinc/74/49/67/704744967.db2.gz LONOQNLTYKJCGZ-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)cn1 ZINC000997860681 704767446 /nfs/dbraw/zinc/76/74/46/704767446.db2.gz AVMSCJJTYRSGGV-SFHVURJKSA-N 1 3 345.491 1.598 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947722 705068872 /nfs/dbraw/zinc/06/88/72/705068872.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 1 3 348.495 1.075 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947722 705068876 /nfs/dbraw/zinc/06/88/76/705068876.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 1 3 348.495 1.075 20 0 EDADHO Cc1nc(C)c(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000998078320 705298988 /nfs/dbraw/zinc/29/89/88/705298988.db2.gz LGUANWRWOHLLBM-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO Cc1nc(C)c(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000998078320 705298992 /nfs/dbraw/zinc/29/89/92/705298992.db2.gz LGUANWRWOHLLBM-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998082115 705308351 /nfs/dbraw/zinc/30/83/51/705308351.db2.gz NPFYIXHRZRHURE-AWEZNQCLSA-N 1 3 334.464 1.796 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083609 705312389 /nfs/dbraw/zinc/31/23/89/705312389.db2.gz WVADFSRZJIXAJP-INIZCTEOSA-N 1 3 330.476 1.894 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(OC)n2)CC1)N(C)C ZINC000998086007 705318435 /nfs/dbraw/zinc/31/84/35/705318435.db2.gz MGGIBUFRKPQOEP-INIZCTEOSA-N 1 3 349.479 1.154 20 0 EDADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000998268556 705644379 /nfs/dbraw/zinc/64/43/79/705644379.db2.gz HJHBVBBHZQEEBC-IEBWSBKVSA-N 1 3 335.492 1.337 20 0 EDADHO COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998995389 706412663 /nfs/dbraw/zinc/41/26/63/706412663.db2.gz RGNHKJHBNSDLAL-JCYILVPMSA-N 1 3 346.475 1.654 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCCN3C)C2)cn1 ZINC000998995731 706413005 /nfs/dbraw/zinc/41/30/05/706413005.db2.gz UFEUPOXILOAPNH-OFLPRAFFSA-N 1 3 331.464 1.348 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999047170 706488293 /nfs/dbraw/zinc/48/82/93/706488293.db2.gz ANHQFUPHFRFIHA-UHFFFAOYSA-N 1 3 346.479 1.005 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)cn1 ZINC000999153844 706583865 /nfs/dbraw/zinc/58/38/65/706583865.db2.gz RRMHUPOPKOLHIK-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCc3ccns3)C2)CCC1 ZINC000999353891 706842807 /nfs/dbraw/zinc/84/28/07/706842807.db2.gz OHVPLIKZSDYZIX-CQSZACIVSA-N 1 3 336.505 1.751 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398869 706893333 /nfs/dbraw/zinc/89/33/33/706893333.db2.gz ASZMNZMTXGZBPH-HPUBIQBYSA-N 1 3 333.480 1.026 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999409871 706919608 /nfs/dbraw/zinc/91/96/08/706919608.db2.gz UGDADECRWMTMBH-IUDNXUCKSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999409871 706919610 /nfs/dbraw/zinc/91/96/10/706919610.db2.gz UGDADECRWMTMBH-IUDNXUCKSA-N 1 3 331.464 1.206 20 0 EDADHO CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279606 707347079 /nfs/dbraw/zinc/34/70/79/707347079.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 1 3 349.519 1.819 20 0 EDADHO CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279606 707347084 /nfs/dbraw/zinc/34/70/84/707347084.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 1 3 349.519 1.819 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cn1 ZINC000999791868 707363108 /nfs/dbraw/zinc/36/31/08/707363108.db2.gz LGFOBWMEXDELIQ-MSOLQXFVSA-N 1 3 345.491 1.375 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354005 707609557 /nfs/dbraw/zinc/60/95/57/707609557.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 1 3 347.507 1.538 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354005 707609558 /nfs/dbraw/zinc/60/95/58/707609558.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 1 3 347.507 1.538 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225022 707849719 /nfs/dbraw/zinc/84/97/19/707849719.db2.gz CBTACCCAGWIRDX-IRXDYDNUSA-N 1 3 349.519 1.963 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001834039 708360559 /nfs/dbraw/zinc/36/05/59/708360559.db2.gz NUPPJSYNJIKSJY-RDTXWAMCSA-N 1 3 347.507 1.254 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001834039 708360563 /nfs/dbraw/zinc/36/05/63/708360563.db2.gz NUPPJSYNJIKSJY-RDTXWAMCSA-N 1 3 347.507 1.254 20 0 EDADHO Cc1ncsc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002119650 708632839 /nfs/dbraw/zinc/63/28/39/708632839.db2.gz CMHPDVAZYQFSIC-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1ncsc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002119650 708632841 /nfs/dbraw/zinc/63/28/41/708632841.db2.gz CMHPDVAZYQFSIC-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(CCO[C@H]3CC3(F)F)CC2)C1 ZINC001002128136 708644748 /nfs/dbraw/zinc/64/47/48/708644748.db2.gz VXOAUZSWYRSPGL-CABCVRRESA-N 1 3 345.434 1.191 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(CCO[C@H]3CC3(F)F)CC2)C1 ZINC001002128136 708644749 /nfs/dbraw/zinc/64/47/49/708644749.db2.gz VXOAUZSWYRSPGL-CABCVRRESA-N 1 3 345.434 1.191 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042526 709292607 /nfs/dbraw/zinc/29/26/07/709292607.db2.gz PNXZLJWCVLDLEG-CVEARBPZSA-N 1 3 349.479 1.185 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042526 709292611 /nfs/dbraw/zinc/29/26/11/709292611.db2.gz PNXZLJWCVLDLEG-CVEARBPZSA-N 1 3 349.479 1.185 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001034046158 709298831 /nfs/dbraw/zinc/29/88/31/709298831.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 1 3 345.487 1.940 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001034046158 709298833 /nfs/dbraw/zinc/29/88/33/709298833.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 1 3 345.487 1.940 20 0 EDADHO CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321992 709773431 /nfs/dbraw/zinc/77/34/31/709773431.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 1 3 347.503 1.787 20 0 EDADHO CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321992 709773434 /nfs/dbraw/zinc/77/34/34/709773434.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 1 3 347.503 1.787 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@@H+]1C ZINC001034649386 710325874 /nfs/dbraw/zinc/32/58/74/710325874.db2.gz IGVPXPDRWIYSJI-LUKYLMHMSA-N 1 3 347.507 1.667 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@H+]1C ZINC001034649386 710325877 /nfs/dbraw/zinc/32/58/77/710325877.db2.gz IGVPXPDRWIYSJI-LUKYLMHMSA-N 1 3 347.507 1.667 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)N1CCCC1 ZINC001003424148 710339345 /nfs/dbraw/zinc/33/93/45/710339345.db2.gz QKFRJCIZCSXPIB-JXFKEZNVSA-N 1 3 349.519 1.868 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628194 710458354 /nfs/dbraw/zinc/45/83/54/710458354.db2.gz NXDHUSBLNKJDAF-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1cncs1 ZINC001034942295 711395005 /nfs/dbraw/zinc/39/50/05/711395005.db2.gz TVOBDDSVLKKJKG-ZBFHGGJFSA-N 1 3 334.489 1.566 20 0 EDADHO COc1cccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034939446 711441785 /nfs/dbraw/zinc/44/17/85/711441785.db2.gz AOAUQXLYWRPKSK-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001034939446 711441789 /nfs/dbraw/zinc/44/17/89/711441789.db2.gz AOAUQXLYWRPKSK-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000922514193 711643760 /nfs/dbraw/zinc/64/37/60/711643760.db2.gz WBRIGJVZABXUOF-UHFFFAOYSA-N 1 3 344.503 1.962 20 0 EDADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623884 711925335 /nfs/dbraw/zinc/92/53/35/711925335.db2.gz RWWALISPCDYLOW-GDAAHCPNSA-N 1 3 349.519 1.534 20 0 EDADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623884 711925337 /nfs/dbraw/zinc/92/53/37/711925337.db2.gz RWWALISPCDYLOW-GDAAHCPNSA-N 1 3 349.519 1.534 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548680 711959581 /nfs/dbraw/zinc/95/95/81/711959581.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 1 3 337.508 1.678 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004548680 711959584 /nfs/dbraw/zinc/95/95/84/711959584.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 1 3 337.508 1.678 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004619862 712081061 /nfs/dbraw/zinc/08/10/61/712081061.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 1 3 337.508 1.556 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004619862 712081063 /nfs/dbraw/zinc/08/10/63/712081063.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 1 3 337.508 1.556 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539705007 /nfs/dbraw/zinc/70/50/07/539705007.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539705012 /nfs/dbraw/zinc/70/50/12/539705012.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 1 3 338.540 1.641 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000342991315 539772368 /nfs/dbraw/zinc/77/23/68/539772368.db2.gz QZAOWBULPRWSQA-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356154 539932905 /nfs/dbraw/zinc/93/29/05/539932905.db2.gz RJEZUPRTHSJYHO-CYBMUJFWSA-N 1 3 348.413 1.970 20 0 EDADHO CC(=O)N1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc2C1 ZINC000562881213 306311822 /nfs/dbraw/zinc/31/18/22/306311822.db2.gz HCNZZVZUGBYCQE-GOSISDBHSA-N 1 3 331.460 1.526 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000158642925 539998967 /nfs/dbraw/zinc/99/89/67/539998967.db2.gz ZKTDKEIMYQFJHD-UHFFFAOYSA-N 1 3 331.460 1.859 20 0 EDADHO C[C@@H](NC(=O)C(=O)Nc1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000563452423 306334204 /nfs/dbraw/zinc/33/42/04/306334204.db2.gz NGOUTTBVPAHPHJ-CYBMUJFWSA-N 1 3 346.475 1.363 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069110752 138197753 /nfs/dbraw/zinc/19/77/53/138197753.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069110752 138197755 /nfs/dbraw/zinc/19/77/55/138197755.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO CC[C@H](CSC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000089265140 138273837 /nfs/dbraw/zinc/27/38/37/138273837.db2.gz ZEBFLWLRHSENAN-CQSZACIVSA-N 1 3 342.553 1.986 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)Cc1ccccc1 ZINC000344134932 283260115 /nfs/dbraw/zinc/26/01/15/283260115.db2.gz RKIWDUOYGFYREL-FQEVSTJZSA-N 1 3 333.520 1.940 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)Cc1ccccc1 ZINC000344134932 283260117 /nfs/dbraw/zinc/26/01/17/283260117.db2.gz RKIWDUOYGFYREL-FQEVSTJZSA-N 1 3 333.520 1.940 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560882 306360797 /nfs/dbraw/zinc/36/07/97/306360797.db2.gz HEHRWLGACUTJKD-LSDHHAIUSA-N 1 3 332.366 1.656 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560882 306360798 /nfs/dbraw/zinc/36/07/98/306360798.db2.gz HEHRWLGACUTJKD-LSDHHAIUSA-N 1 3 332.366 1.656 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129461080 223058668 /nfs/dbraw/zinc/05/86/68/223058668.db2.gz JRKVIZBQXWDQIK-QGZVFWFLSA-N 1 3 348.491 1.720 20 0 EDADHO C[C@@](O)(C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000566063515 306397270 /nfs/dbraw/zinc/39/72/70/306397270.db2.gz ZBTMSIAVVFTYTP-OAHLLOKOSA-N 1 3 346.397 1.497 20 0 EDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000414698236 304129192 /nfs/dbraw/zinc/12/91/92/304129192.db2.gz ITQOYVORLYPDIY-IEBWSBKVSA-N 1 3 344.503 1.785 20 0 EDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000414698236 304129194 /nfs/dbraw/zinc/12/91/94/304129194.db2.gz ITQOYVORLYPDIY-IEBWSBKVSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)Cc3ccccc3F)CC2)CC[NH2+]1 ZINC000414700653 304129296 /nfs/dbraw/zinc/12/92/96/304129296.db2.gz ZOSJAWWGJLVFNC-CVEARBPZSA-N 1 3 333.451 1.901 20 0 EDADHO O=C(Nc1ccc2c(c1)CNC2)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000414837089 304146440 /nfs/dbraw/zinc/14/64/40/304146440.db2.gz VNPOQWKAXUVUCJ-MRXNPFEDSA-N 1 3 342.443 1.361 20 0 EDADHO O=C(Nc1ccc2c(c1)CNC2)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000414837089 304146442 /nfs/dbraw/zinc/14/64/42/304146442.db2.gz VNPOQWKAXUVUCJ-MRXNPFEDSA-N 1 3 342.443 1.361 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415028727 304152049 /nfs/dbraw/zinc/15/20/49/304152049.db2.gz DFAJCGFMBVXCPR-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO COc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1OC ZINC000415136286 304162955 /nfs/dbraw/zinc/16/29/55/304162955.db2.gz RIPBISNYJCFBSK-CVEARBPZSA-N 1 3 332.444 1.904 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC[NH2+]CC1 ZINC000237152749 139042374 /nfs/dbraw/zinc/04/23/74/139042374.db2.gz DIIWLIKOIVLQNW-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000237200331 139043901 /nfs/dbraw/zinc/04/39/01/139043901.db2.gz LERITOPLPJLHLP-MRXNPFEDSA-N 1 3 333.476 1.771 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000237200331 139043902 /nfs/dbraw/zinc/04/39/02/139043902.db2.gz LERITOPLPJLHLP-MRXNPFEDSA-N 1 3 333.476 1.771 20 0 EDADHO COCC[NH2+]CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000237334857 139048304 /nfs/dbraw/zinc/04/83/04/139048304.db2.gz APNZSNVGSQOOMR-UHFFFAOYSA-N 1 3 348.491 1.183 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030646 284350054 /nfs/dbraw/zinc/35/00/54/284350054.db2.gz BSBVJNJTUIKIRI-CAOSSQGBSA-N 1 3 343.512 1.923 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030646 284350056 /nfs/dbraw/zinc/35/00/56/284350056.db2.gz BSBVJNJTUIKIRI-CAOSSQGBSA-N 1 3 343.512 1.923 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000567572679 306455517 /nfs/dbraw/zinc/45/55/17/306455517.db2.gz TUJGHAPCXLYGRU-UHFFFAOYSA-N 1 3 328.501 1.563 20 0 EDADHO [NH3+][C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237966983 139065209 /nfs/dbraw/zinc/06/52/09/139065209.db2.gz PAFSTPMCXFLLBX-GOSISDBHSA-N 1 3 330.476 1.442 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866208 220212890 /nfs/dbraw/zinc/21/28/90/220212890.db2.gz PYKSDXKOVNOHIL-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCCNCC2)c1)C1CC1 ZINC000415329224 304195957 /nfs/dbraw/zinc/19/59/57/304195957.db2.gz YAMHJCJHHYTIKC-UHFFFAOYSA-N 1 3 344.459 1.084 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCCNCC2)c1)C1CC1 ZINC000415329224 304195959 /nfs/dbraw/zinc/19/59/59/304195959.db2.gz YAMHJCJHHYTIKC-UHFFFAOYSA-N 1 3 344.459 1.084 20 0 EDADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCN1C(=O)CNC1=O ZINC000092821266 218171960 /nfs/dbraw/zinc/17/19/60/218171960.db2.gz CDEJHUVGTLKNCD-UHFFFAOYSA-N 1 3 345.447 1.172 20 0 EDADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCN1C(=O)CNC1=O ZINC000092821266 218171962 /nfs/dbraw/zinc/17/19/62/218171962.db2.gz CDEJHUVGTLKNCD-UHFFFAOYSA-N 1 3 345.447 1.172 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000340944154 284759213 /nfs/dbraw/zinc/75/92/13/284759213.db2.gz ZTRJIYGIEAIZGG-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000261777133 139225129 /nfs/dbraw/zinc/22/51/29/139225129.db2.gz FZFLETHSDSRKKA-KRWDZBQOSA-N 1 3 341.496 1.090 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(-n2cncn2)cc1 ZINC000261968627 139240701 /nfs/dbraw/zinc/24/07/01/139240701.db2.gz IAJOULZCSYESNE-QGZVFWFLSA-N 1 3 342.447 1.087 20 0 EDADHO CN1c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091007 139250287 /nfs/dbraw/zinc/25/02/87/139250287.db2.gz GZYDPMMOZOFIFH-QGZVFWFLSA-N 1 3 328.460 1.075 20 0 EDADHO CC[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417008348 251128683 /nfs/dbraw/zinc/12/86/83/251128683.db2.gz IMINDCBLCQHOOR-ROUUACIJSA-N 1 3 346.475 1.192 20 0 EDADHO CC(C)(CNC(=O)N1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417087923 251141697 /nfs/dbraw/zinc/14/16/97/251141697.db2.gz IRHOMZAYRPSQRL-UHFFFAOYSA-N 1 3 330.476 1.828 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000262456761 139280277 /nfs/dbraw/zinc/28/02/77/139280277.db2.gz IESUYVWFLIYKIN-MPGHIAIKSA-N 1 3 333.476 1.532 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000417753050 251255995 /nfs/dbraw/zinc/25/59/95/251255995.db2.gz NVIGWSJWKRWQIB-JKSUJKDBSA-N 1 3 347.507 1.389 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000417806703 251278702 /nfs/dbraw/zinc/27/87/02/251278702.db2.gz JEYOKRAVZAFXND-GOEBONIOSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813892 251280748 /nfs/dbraw/zinc/28/07/48/251280748.db2.gz AMTBHWDDTPBSHW-OQIJWPOYSA-N 1 3 342.487 1.758 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262528170 139284373 /nfs/dbraw/zinc/28/43/73/139284373.db2.gz MFEQFHUAMJKXMU-STQMWFEESA-N 1 3 332.448 1.306 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN1C ZINC000418686301 251386381 /nfs/dbraw/zinc/38/63/81/251386381.db2.gz ORLUOBBSQGWZFT-XOYOTBSWSA-N 1 3 330.476 1.866 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875338 252008253 /nfs/dbraw/zinc/00/82/53/252008253.db2.gz DULRFNKQXWXMGR-RBUKOAKNSA-N 1 3 344.503 1.681 20 0 EDADHO CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423178154 252041888 /nfs/dbraw/zinc/04/18/88/252041888.db2.gz KJWILMDWWPJIEG-WBVHZDCISA-N 1 3 346.475 1.088 20 0 EDADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423178954 252043948 /nfs/dbraw/zinc/04/39/48/252043948.db2.gz LLQPGWLIQREGJY-CQSZACIVSA-N 1 3 334.464 1.600 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423357749 252052722 /nfs/dbraw/zinc/05/27/22/252052722.db2.gz ANZCJFMTBCJPHA-NVXWUHKLSA-N 1 3 344.459 1.450 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423357749 252052726 /nfs/dbraw/zinc/05/27/26/252052726.db2.gz ANZCJFMTBCJPHA-NVXWUHKLSA-N 1 3 344.459 1.450 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423855283 252092182 /nfs/dbraw/zinc/09/21/82/252092182.db2.gz VXMCJIKNKOIJMR-GGPKGHCWSA-N 1 3 343.471 1.393 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000423897683 252103129 /nfs/dbraw/zinc/10/31/29/252103129.db2.gz OVYAYTGPPBMVKU-QAPCUYQASA-N 1 3 331.460 1.948 20 0 EDADHO C[C@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@@H](N)c1ccccc1 ZINC000424035183 252122106 /nfs/dbraw/zinc/12/21/06/252122106.db2.gz DVGRDGWKAKCMED-XOYOTBSWSA-N 1 3 343.471 1.550 20 0 EDADHO [NH3+][C@H]1CCc2nc(NC(=O)c3cn[n-]c3[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000424179376 252155293 /nfs/dbraw/zinc/15/52/93/252155293.db2.gz SVKXPJTYAJVSLG-ZJUUUORDSA-N 1 3 346.460 1.402 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H](C)C1 ZINC000424134831 252135945 /nfs/dbraw/zinc/13/59/45/252135945.db2.gz NYOAUEAHTOKLEA-KFWWJZLASA-N 1 3 334.468 1.053 20 0 EDADHO Cc1ccc2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298152 252191603 /nfs/dbraw/zinc/19/16/03/252191603.db2.gz TZJIZYHXTOHYKU-OAHLLOKOSA-N 1 3 326.444 1.967 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383778 252204418 /nfs/dbraw/zinc/20/44/18/252204418.db2.gz UMLVENZYRGLIHR-HNNXBMFYSA-N 1 3 347.507 1.529 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000424450480 252236100 /nfs/dbraw/zinc/23/61/00/252236100.db2.gz XTRDTTZOCKRELS-UHFFFAOYSA-N 1 3 332.448 1.381 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020868 285023634 /nfs/dbraw/zinc/02/36/34/285023634.db2.gz OICBGXQNDIPLRJ-BRWVUGGUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000570394320 306540376 /nfs/dbraw/zinc/54/03/76/306540376.db2.gz AHLKYMNXEBSXOD-JSGCOSHPSA-N 1 3 325.403 1.853 20 0 EDADHO C[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000496223903 255366648 /nfs/dbraw/zinc/36/66/48/255366648.db2.gz GPHAUTMLYDSVOC-GUYCJALGSA-N 1 3 331.501 1.828 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC1(C)C ZINC000338807707 285278280 /nfs/dbraw/zinc/27/82/80/285278280.db2.gz BPNLUNBYUSGJEP-GJZGRUSLSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC1(C)C ZINC000338807707 285278283 /nfs/dbraw/zinc/27/82/83/285278283.db2.gz BPNLUNBYUSGJEP-GJZGRUSLSA-N 1 3 342.553 1.938 20 0 EDADHO O[C@@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(Cc2ccccc2)C1 ZINC000305773678 285334356 /nfs/dbraw/zinc/33/43/56/285334356.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(Cc2ccccc2)C1 ZINC000305773678 285334359 /nfs/dbraw/zinc/33/43/59/285334359.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 1 3 329.488 1.838 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cccc3c2OCCO3)CC1 ZINC000264272424 139392261 /nfs/dbraw/zinc/39/22/61/139392261.db2.gz AGEIOMYZAQMHQY-OAHLLOKOSA-N 1 3 334.460 1.982 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCCO1 ZINC000416053660 304287469 /nfs/dbraw/zinc/28/74/69/304287469.db2.gz VWNQSQFZPWYAAG-RYUDHWBXSA-N 1 3 340.390 1.066 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213584 304296370 /nfs/dbraw/zinc/29/63/70/304296370.db2.gz HTZZVJFDZOICOT-FUHWJXTLSA-N 1 3 333.476 1.595 20 0 EDADHO C[NH+](C)C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000416302992 304307376 /nfs/dbraw/zinc/30/73/76/304307376.db2.gz QCJLCUNURUDQRC-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000333789243 141382198 /nfs/dbraw/zinc/38/21/98/141382198.db2.gz FXGZNBSICHUVSA-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C ZINC000343823107 142893591 /nfs/dbraw/zinc/89/35/91/142893591.db2.gz SZWWIACZCNBNGC-INMHGKMJSA-N 1 3 338.496 1.269 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000345148936 143057845 /nfs/dbraw/zinc/05/78/45/143057845.db2.gz LKIHSXWJUIARSV-UHFFFAOYSA-N 1 3 345.447 1.560 20 0 EDADHO CCN(C)c1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000345163985 143059838 /nfs/dbraw/zinc/05/98/38/143059838.db2.gz KULKLAMLAQBQAS-UHFFFAOYSA-N 1 3 347.507 1.428 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209061 143064649 /nfs/dbraw/zinc/06/46/49/143064649.db2.gz KKWVOZCMTYZLND-AEFFLSMTSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209061 143064650 /nfs/dbraw/zinc/06/46/50/143064650.db2.gz KKWVOZCMTYZLND-AEFFLSMTSA-N 1 3 345.487 1.327 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000346086993 143166141 /nfs/dbraw/zinc/16/61/41/143166141.db2.gz UZQUFBRFMGFKNR-LJQANCHMSA-N 1 3 344.503 1.452 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)N(C)C1 ZINC000347044902 143275824 /nfs/dbraw/zinc/27/58/24/143275824.db2.gz AEEHRKUHFRNQGJ-JKSUJKDBSA-N 1 3 326.485 1.079 20 0 EDADHO Cc1nn(-c2ccccc2)cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347065371 143278226 /nfs/dbraw/zinc/27/82/26/143278226.db2.gz KTAFUHXHYZYZOF-INIZCTEOSA-N 1 3 341.459 1.468 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000347068004 143278401 /nfs/dbraw/zinc/27/84/01/143278401.db2.gz LCPRQTMENMRYKC-CABCVRRESA-N 1 3 328.501 1.373 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000351642046 143591378 /nfs/dbraw/zinc/59/13/78/143591378.db2.gz SYRNMXHBRZPNFN-HZPDHXFCSA-N 1 3 340.512 1.260 20 0 EDADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416782211 304348796 /nfs/dbraw/zinc/34/87/96/304348796.db2.gz FPCKIKZDCRWULS-KURKYZTESA-N 1 3 328.460 1.827 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)N(C)C)cc1 ZINC000416842420 304350531 /nfs/dbraw/zinc/35/05/31/304350531.db2.gz NBNSYRARJCULRM-SQNIBIBYSA-N 1 3 330.476 1.855 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000353210792 149326937 /nfs/dbraw/zinc/32/69/37/149326937.db2.gz ZLPFERYCYFGZAY-HNNXBMFYSA-N 1 3 331.526 1.416 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416975467 304358974 /nfs/dbraw/zinc/35/89/74/304358974.db2.gz ZGVCMFXMENSGNF-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H]1C ZINC000416976011 304359272 /nfs/dbraw/zinc/35/92/72/304359272.db2.gz PIEZTDMLIOUILQ-CABCVRRESA-N 1 3 334.464 1.519 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416979190 304360115 /nfs/dbraw/zinc/36/01/15/304360115.db2.gz WRTPJFNWOLDQLI-RHSMWYFYSA-N 1 3 334.464 1.424 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@H]2C[C@@H](F)CN2Cc2nccn2C)CC1 ZINC000354861002 150000275 /nfs/dbraw/zinc/00/02/75/150000275.db2.gz FZVWXOFSYMZIGC-NVXWUHKLSA-N 1 3 337.487 1.795 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111304 150122152 /nfs/dbraw/zinc/12/21/52/150122152.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@H](CN(C)C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000357580077 151074081 /nfs/dbraw/zinc/07/40/81/151074081.db2.gz HPFPMUDVWWPTAW-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000358092154 151267184 /nfs/dbraw/zinc/26/71/84/151267184.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000358092154 151267186 /nfs/dbraw/zinc/26/71/86/151267186.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358130683 151283251 /nfs/dbraw/zinc/28/32/51/151283251.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358130683 151283252 /nfs/dbraw/zinc/28/32/52/151283252.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO COC[C@H](Cc1ccccc1)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361333329 152363870 /nfs/dbraw/zinc/36/38/70/152363870.db2.gz BJUJHHMUZVSZMS-IBGZPJMESA-N 1 3 347.503 1.776 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363865908 153079845 /nfs/dbraw/zinc/07/98/45/153079845.db2.gz VQCMYEHBGYRSMO-WBVHZDCISA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363865908 153079848 /nfs/dbraw/zinc/07/98/48/153079848.db2.gz VQCMYEHBGYRSMO-WBVHZDCISA-N 1 3 335.492 1.620 20 0 EDADHO CC1CCC(O)(C[NH+]2CCN(CCN3CCCOCC3)CC2)CC1 ZINC000364330704 153207984 /nfs/dbraw/zinc/20/79/84/153207984.db2.gz WBJXQLOJNYUVRK-UHFFFAOYSA-N 1 3 339.524 1.268 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000417201601 304384096 /nfs/dbraw/zinc/38/40/96/304384096.db2.gz WSIBFNXPRHFICE-CGTJXYLNSA-N 1 3 332.492 1.928 20 0 EDADHO CN(CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232850 304386246 /nfs/dbraw/zinc/38/62/46/304386246.db2.gz QRAFHDYJJPOGEH-RCCFBDPRSA-N 1 3 330.476 1.887 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCN3CCC2CC3)cc1 ZINC000367071411 153999240 /nfs/dbraw/zinc/99/92/40/153999240.db2.gz BGYUURAEABCZSZ-UHFFFAOYSA-N 1 3 346.475 1.617 20 0 EDADHO COC(=O)c1oc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000367117813 154014422 /nfs/dbraw/zinc/01/44/22/154014422.db2.gz UDLIREXJZBPDMG-INIZCTEOSA-N 1 3 349.475 1.975 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273129 154061409 /nfs/dbraw/zinc/06/14/09/154061409.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273129 154061410 /nfs/dbraw/zinc/06/14/10/154061410.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367273129 154061413 /nfs/dbraw/zinc/06/14/13/154061413.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367273129 154061415 /nfs/dbraw/zinc/06/14/15/154061415.db2.gz AJQUMYRFCXONIR-FUHWJXTLSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417526255 304403277 /nfs/dbraw/zinc/40/32/77/304403277.db2.gz MNIBKKNHPZAUSK-YJBOKZPZSA-N 1 3 348.491 1.467 20 0 EDADHO COCC[C@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186941 158103358 /nfs/dbraw/zinc/10/33/58/158103358.db2.gz GIBRKWRPYGMDNN-IEBWSBKVSA-N 1 3 333.476 1.942 20 0 EDADHO C[C@H](CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C1CC[NH2+]CC1 ZINC000378200286 158106306 /nfs/dbraw/zinc/10/63/06/158106306.db2.gz APRDOLLPRPYTQZ-AEFFLSMTSA-N 1 3 336.524 1.251 20 0 EDADHO C[C@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000417952927 304437246 /nfs/dbraw/zinc/43/72/46/304437246.db2.gz OWDNSWJDANMYQC-HOCLYGCPSA-N 1 3 349.479 1.209 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077591722 287288683 /nfs/dbraw/zinc/28/86/83/287288683.db2.gz KUIMKYKDFPFAFT-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077591722 287288685 /nfs/dbraw/zinc/28/86/85/287288685.db2.gz KUIMKYKDFPFAFT-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000077590822 287288884 /nfs/dbraw/zinc/28/88/84/287288884.db2.gz IBNYETSICBUHNY-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000077590822 287288885 /nfs/dbraw/zinc/28/88/85/287288885.db2.gz IBNYETSICBUHNY-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO CC(C)c1csc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000121851773 287375527 /nfs/dbraw/zinc/37/55/27/287375527.db2.gz MWPSOWGPPVLMTN-UHFFFAOYSA-N 1 3 341.525 1.901 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000169105240 226232271 /nfs/dbraw/zinc/23/22/71/226232271.db2.gz YXKYAUNYMLKVGG-AEFFLSMTSA-N 1 3 331.460 1.174 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)nc3)CC2)CC1 ZINC000122230427 222041193 /nfs/dbraw/zinc/04/11/93/222041193.db2.gz HMUQBDQJYQKHCU-UHFFFAOYSA-N 1 3 335.427 1.901 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000665761563 452337078 /nfs/dbraw/zinc/33/70/78/452337078.db2.gz IFMPOZUTQIQSAD-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)CC1 ZINC000665761563 452337082 /nfs/dbraw/zinc/33/70/82/452337082.db2.gz IFMPOZUTQIQSAD-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261749314 273017273 /nfs/dbraw/zinc/01/72/73/273017273.db2.gz LAUGCEXQPVODNL-MJGOQNOKSA-N 1 3 345.487 1.721 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261749314 273017274 /nfs/dbraw/zinc/01/72/74/273017274.db2.gz LAUGCEXQPVODNL-MJGOQNOKSA-N 1 3 345.487 1.721 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023229 /nfs/dbraw/zinc/02/32/29/274023229.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 1 3 348.491 1.699 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023231 /nfs/dbraw/zinc/02/32/31/274023231.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 1 3 348.491 1.699 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569689 277047859 /nfs/dbraw/zinc/04/78/59/277047859.db2.gz LIOCZGYFGOGPJM-JKSUJKDBSA-N 1 3 325.497 1.534 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000195159191 277104984 /nfs/dbraw/zinc/10/49/84/277104984.db2.gz CMACAZNHMLGOET-MOPGFXCFSA-N 1 3 344.503 1.481 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@H]21 ZINC000367604402 277171146 /nfs/dbraw/zinc/17/11/46/277171146.db2.gz BKJOBTKLLRGFCC-FGTMMUONSA-N 1 3 344.507 1.061 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@H]21 ZINC000367604402 277171148 /nfs/dbraw/zinc/17/11/48/277171148.db2.gz BKJOBTKLLRGFCC-FGTMMUONSA-N 1 3 344.507 1.061 20 0 EDADHO C[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1ccc(=O)[nH]n1 ZINC000286220097 287961989 /nfs/dbraw/zinc/96/19/89/287961989.db2.gz SJSISAJCUYPRJY-CQSZACIVSA-N 1 3 330.432 1.604 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548785 277720061 /nfs/dbraw/zinc/72/00/61/277720061.db2.gz CNKWALJTCBDABX-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H](C)O1 ZINC000165562703 277888682 /nfs/dbraw/zinc/88/86/82/277888682.db2.gz SYGULPDLFRZVMW-ZBRFXRBCSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021863 278171480 /nfs/dbraw/zinc/17/14/80/278171480.db2.gz NTPKXIIHQMPFDJ-SJLPKXTDSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000414856596 278319129 /nfs/dbraw/zinc/31/91/29/278319129.db2.gz OMLJMZKDSXHHEK-PBHICJAKSA-N 1 3 344.459 1.732 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000458946447 278980417 /nfs/dbraw/zinc/98/04/17/278980417.db2.gz ZNUJAHFKLZBLCK-INIZCTEOSA-N 1 3 340.512 1.253 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419886447 279101917 /nfs/dbraw/zinc/10/19/17/279101917.db2.gz DBQNARAJJWFNOF-JKSUJKDBSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281231 288104198 /nfs/dbraw/zinc/10/41/98/288104198.db2.gz BTCQANAOHALDOF-BDXSIMOUSA-N 1 3 325.497 1.186 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281231 288104199 /nfs/dbraw/zinc/10/41/99/288104199.db2.gz BTCQANAOHALDOF-BDXSIMOUSA-N 1 3 325.497 1.186 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000416993409 279363687 /nfs/dbraw/zinc/36/36/87/279363687.db2.gz QDJKWJMCFYGMJH-UHFFFAOYSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@](C[NH3+])(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1 ZINC000430557933 280139950 /nfs/dbraw/zinc/13/99/50/280139950.db2.gz UVQUOMYHOMHNHN-LJQANCHMSA-N 1 3 348.466 1.581 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700482 281056264 /nfs/dbraw/zinc/05/62/64/281056264.db2.gz LKFQECLQAQJIPF-RDJZCZTQSA-N 1 3 326.485 1.319 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291872538 289202652 /nfs/dbraw/zinc/20/26/52/289202652.db2.gz IMSPHGANCSOMEV-AZUAARDMSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291872538 289202654 /nfs/dbraw/zinc/20/26/54/289202654.db2.gz IMSPHGANCSOMEV-AZUAARDMSA-N 1 3 344.503 1.897 20 0 EDADHO CN1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269126 /nfs/dbraw/zinc/26/91/26/289269126.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 1 3 329.444 1.935 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cccc4[nH]ccc43)C2)C1 ZINC000292131772 289269130 /nfs/dbraw/zinc/26/91/30/289269130.db2.gz LHLWBZFOLQJFHJ-BEFAXECRSA-N 1 3 329.444 1.935 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737721 297277397 /nfs/dbraw/zinc/27/73/97/297277397.db2.gz OCFDRHCIJNVOMM-PBHICJAKSA-N 1 3 330.476 1.525 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418609070 304518508 /nfs/dbraw/zinc/51/85/08/304518508.db2.gz SGCBYIOKWDTQBA-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H]1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000422633363 297367282 /nfs/dbraw/zinc/36/72/82/297367282.db2.gz HZTPBDVZMWBVSF-NEPXVJNWSA-N 1 3 346.519 1.711 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@@H]1c1ccccc1 ZINC000420395465 304755234 /nfs/dbraw/zinc/75/52/34/304755234.db2.gz DIJQIPRCSCCTET-ZCNNSNEGSA-N 1 3 325.456 1.564 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419656080 447325258 /nfs/dbraw/zinc/32/52/58/447325258.db2.gz UQQJGLQEWUUCJF-HOCLYGCPSA-N 1 3 346.475 1.100 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000664716329 453343025 /nfs/dbraw/zinc/34/30/25/453343025.db2.gz ACMSCDXLUDZWGA-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000664716329 453343033 /nfs/dbraw/zinc/34/30/33/453343033.db2.gz ACMSCDXLUDZWGA-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293663951 303000406 /nfs/dbraw/zinc/00/04/06/303000406.db2.gz PTQWDOJXJHKEMF-OAHLLOKOSA-N 1 3 346.475 1.381 20 0 EDADHO C[NH+](C)CCn1nccc1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000294231954 303080728 /nfs/dbraw/zinc/08/07/28/303080728.db2.gz WWMDTPFAMAACRO-INIZCTEOSA-N 1 3 325.432 1.596 20 0 EDADHO N[C@H](CC(F)F)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353734691 303479570 /nfs/dbraw/zinc/47/95/70/303479570.db2.gz HDWZJYFUYMIKAK-WQAKAFBOSA-N 1 3 333.329 1.509 20 0 EDADHO COc1sc(CNCCN2CC[NH2+]CC2)cc1Br ZINC000414868520 447334817 /nfs/dbraw/zinc/33/48/17/447334817.db2.gz QAIQYYUETJXBGG-UHFFFAOYSA-N 1 3 334.283 1.514 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000422989037 304882390 /nfs/dbraw/zinc/88/23/90/304882390.db2.gz LLGWHGQVGVGEDM-NEPJUHHUSA-N 1 3 327.375 1.414 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117764 304887490 /nfs/dbraw/zinc/88/74/90/304887490.db2.gz WZUPAYSSZWWBPG-MFKMUULPSA-N 1 3 349.859 1.474 20 0 EDADHO CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C4CC[NH2+]CC4)no3)[C@@H]2C1 ZINC000425897263 304976520 /nfs/dbraw/zinc/97/65/20/304976520.db2.gz SNEYLGJABWMDMB-CGTJXYLNSA-N 1 3 346.475 1.878 20 0 EDADHO C[C@@](C[NH3+])(NCCCOc1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000430580977 305056954 /nfs/dbraw/zinc/05/69/54/305056954.db2.gz IHFRFSDOWCGVHB-INIZCTEOSA-N 1 3 326.462 1.576 20 0 EDADHO C[C@@]1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873424 305066539 /nfs/dbraw/zinc/06/65/39/305066539.db2.gz SLQAPJCMCGWKTO-HNAYVOBHSA-N 1 3 344.459 1.322 20 0 EDADHO Cc1c(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878668 305066723 /nfs/dbraw/zinc/06/67/23/305066723.db2.gz KAYXGRGJKUEPNN-OKILXGFUSA-N 1 3 348.495 1.504 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433381546 305107058 /nfs/dbraw/zinc/10/70/58/305107058.db2.gz AHCKXEBTDDYGBC-HZPDHXFCSA-N 1 3 346.479 1.197 20 0 EDADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCCC1 ZINC000433388286 305107472 /nfs/dbraw/zinc/10/74/72/305107472.db2.gz UFWBCFSZLXOKFC-HOTGVXAUSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388137 305107568 /nfs/dbraw/zinc/10/75/68/305107568.db2.gz LQFIWGNWVUTOEW-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CN1C1CC1 ZINC000441397956 305221977 /nfs/dbraw/zinc/22/19/77/305221977.db2.gz RPBQRAWZYXDJCJ-CABCVRRESA-N 1 3 338.496 1.364 20 0 EDADHO COc1ccc(CCNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443066735 305234454 /nfs/dbraw/zinc/23/44/54/305234454.db2.gz SCFCTBQISSXXEP-MRXNPFEDSA-N 1 3 349.475 1.423 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000519407577 305768509 /nfs/dbraw/zinc/76/85/09/305768509.db2.gz PSRNDMJLGJFNIG-SJORKVTESA-N 1 3 345.491 1.309 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000414928500 447360186 /nfs/dbraw/zinc/36/01/86/447360186.db2.gz QCXFQODNPUEZHX-INIZCTEOSA-N 1 3 346.475 1.677 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932925 447362266 /nfs/dbraw/zinc/36/22/66/447362266.db2.gz WFDPLFIDSJZMNH-INIZCTEOSA-N 1 3 332.448 1.287 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000414935290 447364510 /nfs/dbraw/zinc/36/45/10/447364510.db2.gz VHEGQKNXBRHCBW-OAHLLOKOSA-N 1 3 330.432 1.041 20 0 EDADHO COc1ccccc1SCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000535011555 306010364 /nfs/dbraw/zinc/01/03/64/306010364.db2.gz PEKUUAVWQBYPJR-UHFFFAOYSA-N 1 3 339.505 1.739 20 0 EDADHO CS[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)(C)C ZINC000543342505 306062658 /nfs/dbraw/zinc/06/26/58/306062658.db2.gz FGBABCUJGYLLTG-AWEZNQCLSA-N 1 3 332.558 1.899 20 0 EDADHO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CCN(CC3CC3)CC2)cn1 ZINC000548676526 306134929 /nfs/dbraw/zinc/13/49/29/306134929.db2.gz MXEAGXWTJQOPJJ-MJGOQNOKSA-N 1 3 345.491 1.687 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049952 306174535 /nfs/dbraw/zinc/17/45/35/306174535.db2.gz KPGMWMJTQLRTFY-CABCVRRESA-N 1 3 346.475 1.694 20 0 EDADHO FC(F)(F)[C@@H](CNCc1cccc2c1NCC2)N1CC[NH2+]CC1 ZINC000414962591 447375265 /nfs/dbraw/zinc/37/52/65/447375265.db2.gz AFDGGXVPXMSRCR-CQSZACIVSA-N 1 3 328.382 1.580 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414964026 447377119 /nfs/dbraw/zinc/37/71/19/447377119.db2.gz LLNYVWILHSVBMN-DOTOQJQBSA-N 1 3 344.459 1.287 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414964026 447377125 /nfs/dbraw/zinc/37/71/25/447377125.db2.gz LLNYVWILHSVBMN-DOTOQJQBSA-N 1 3 344.459 1.287 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497916 447389374 /nfs/dbraw/zinc/38/93/74/447389374.db2.gz HWQWKGDWYOABPF-ZBFHGGJFSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497916 447389379 /nfs/dbraw/zinc/38/93/79/447389379.db2.gz HWQWKGDWYOABPF-ZBFHGGJFSA-N 1 3 328.526 1.455 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458520119 447397792 /nfs/dbraw/zinc/39/77/92/447397792.db2.gz WPOXBKMPIRSJGX-HRCADAONSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415428052 447428619 /nfs/dbraw/zinc/42/86/19/447428619.db2.gz OBAQBKGAZBXKCX-NVXWUHKLSA-N 1 3 346.475 1.664 20 0 EDADHO C[C@@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212334 441178130 /nfs/dbraw/zinc/17/81/30/441178130.db2.gz GHXUVTMKUKBWHA-CQSZACIVSA-N 1 3 325.428 1.545 20 0 EDADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)o1 ZINC000105475237 441255634 /nfs/dbraw/zinc/25/56/34/441255634.db2.gz UUTQENFEKREXMI-AWEZNQCLSA-N 1 3 345.447 1.655 20 0 EDADHO COCCN(C)CCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072908427 441276289 /nfs/dbraw/zinc/27/62/89/441276289.db2.gz FMOGLNSLZRPWAZ-UHFFFAOYSA-N 1 3 348.491 1.691 20 0 EDADHO CN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000073988370 441377594 /nfs/dbraw/zinc/37/75/94/441377594.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO CN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988370 441377598 /nfs/dbraw/zinc/37/75/98/441377598.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO Cc1nccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000051275932 441405614 /nfs/dbraw/zinc/40/56/14/441405614.db2.gz YQUWKSHDGIMCCF-UHFFFAOYSA-N 1 3 346.479 1.143 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCSC1 ZINC000074820950 441468829 /nfs/dbraw/zinc/46/88/29/441468829.db2.gz AWGKUZDVXRQKFO-HUUCEWRRSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCSC1 ZINC000074820950 441468833 /nfs/dbraw/zinc/46/88/33/441468833.db2.gz AWGKUZDVXRQKFO-HUUCEWRRSA-N 1 3 328.526 1.549 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054510063 441582035 /nfs/dbraw/zinc/58/20/35/441582035.db2.gz RUSSLPQESMVJBP-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000054510063 441582040 /nfs/dbraw/zinc/58/20/40/441582040.db2.gz RUSSLPQESMVJBP-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccn1 ZINC000136920695 441732355 /nfs/dbraw/zinc/73/23/55/441732355.db2.gz RPNAGRGCABQMJE-INIZCTEOSA-N 1 3 334.464 1.578 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000174351960 441915166 /nfs/dbraw/zinc/91/51/66/441915166.db2.gz INDLBZQWFYYDJM-UHFFFAOYSA-N 1 3 344.503 1.995 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)no1 ZINC000174451296 441925442 /nfs/dbraw/zinc/92/54/42/441925442.db2.gz HKTBJPQDNSSFFG-HNNXBMFYSA-N 1 3 337.468 1.541 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cc(C)no1 ZINC000174451296 441925445 /nfs/dbraw/zinc/92/54/45/441925445.db2.gz HKTBJPQDNSSFFG-HNNXBMFYSA-N 1 3 337.468 1.541 20 0 EDADHO COc1ccc(COC[C@@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000162792291 442122565 /nfs/dbraw/zinc/12/25/65/442122565.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000162792291 442122568 /nfs/dbraw/zinc/12/25/68/442122568.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000162792291 442122571 /nfs/dbraw/zinc/12/25/71/442122571.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000162792291 442122573 /nfs/dbraw/zinc/12/25/73/442122573.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000167250561 442219420 /nfs/dbraw/zinc/21/94/20/442219420.db2.gz KRYQSADGLBRHMJ-SFHVURJKSA-N 1 3 333.476 1.812 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249778 442220000 /nfs/dbraw/zinc/22/00/00/442220000.db2.gz SXVXPLKQKTUHPL-QZTJIDSGSA-N 1 3 333.476 1.812 20 0 EDADHO COC(=O)[C@H]1CCCN(C/C=C/C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060898 442304939 /nfs/dbraw/zinc/30/49/39/442304939.db2.gz JBYUFFSBZMMVJS-PIGHNIFASA-N 1 3 338.448 1.313 20 0 EDADHO COC(=O)[C@H]1CCCN(C/C=C/C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060898 442304940 /nfs/dbraw/zinc/30/49/40/442304940.db2.gz JBYUFFSBZMMVJS-PIGHNIFASA-N 1 3 338.448 1.313 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000171196330 442326040 /nfs/dbraw/zinc/32/60/40/442326040.db2.gz LZPOYTGJPLNUIQ-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC000129320582 442311621 /nfs/dbraw/zinc/31/16/21/442311621.db2.gz YSHWQOYFEVRTBG-ROUUACIJSA-N 1 3 332.492 1.752 20 0 EDADHO CN(C(=O)CN1CCN(CC2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000178980157 442544441 /nfs/dbraw/zinc/54/44/41/442544441.db2.gz AHTLFWACRRDXQY-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO CC(C)n1nccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000157140054 442553751 /nfs/dbraw/zinc/55/37/51/442553751.db2.gz DPRLDZGAQWOIIZ-UHFFFAOYSA-N 1 3 333.480 1.752 20 0 EDADHO CCC[C@H](C)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953183 442671699 /nfs/dbraw/zinc/67/16/99/442671699.db2.gz ASKLCIFYTDUCCE-JKSUJKDBSA-N 1 3 326.529 1.638 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246489962 442786165 /nfs/dbraw/zinc/78/61/65/442786165.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246489962 442786168 /nfs/dbraw/zinc/78/61/68/442786168.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)[C@@H]1c1cccs1 ZINC000188779745 442811042 /nfs/dbraw/zinc/81/10/42/442811042.db2.gz OEYJJOOAMQHPDN-QVHKTLOISA-N 1 3 325.453 1.947 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)[C@@H]1c1cccs1 ZINC000188779745 442811047 /nfs/dbraw/zinc/81/10/47/442811047.db2.gz OEYJJOOAMQHPDN-QVHKTLOISA-N 1 3 325.453 1.947 20 0 EDADHO C[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246765237 442811093 /nfs/dbraw/zinc/81/10/93/442811093.db2.gz QURXGRLKDZWAAF-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000246765237 442811099 /nfs/dbraw/zinc/81/10/99/442811099.db2.gz QURXGRLKDZWAAF-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO CN1CCC(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990941 442856488 /nfs/dbraw/zinc/85/64/88/442856488.db2.gz AIQCIKCFWHHEPV-PBHICJAKSA-N 1 3 337.414 1.868 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000183117169 442882700 /nfs/dbraw/zinc/88/27/00/442882700.db2.gz MLMRBFFEHCLNGZ-UHFFFAOYSA-N 1 3 346.475 1.626 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCC(F)F)CC1 ZINC000189364936 442929377 /nfs/dbraw/zinc/92/93/77/442929377.db2.gz CXHBMIBPKFMOSE-UHFFFAOYSA-N 1 3 349.466 1.684 20 0 EDADHO CC[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000268797110 443112132 /nfs/dbraw/zinc/11/21/32/443112132.db2.gz ISQDGXUBUADMFE-KRWDZBQOSA-N 1 3 333.480 1.050 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc2)CC1 ZINC000236894790 443151073 /nfs/dbraw/zinc/15/10/73/443151073.db2.gz LJXBDDCPNCMOQI-QGZVFWFLSA-N 1 3 332.492 1.932 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262513132 443198589 /nfs/dbraw/zinc/19/85/89/443198589.db2.gz DXCOVOLGVSLOPG-BQFCYCMXSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000382763718 319124783 /nfs/dbraw/zinc/12/47/83/319124783.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000382763718 319124785 /nfs/dbraw/zinc/12/47/85/319124785.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)N1CCNCC1 ZINC000382763718 319124786 /nfs/dbraw/zinc/12/47/86/319124786.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)N1CCNCC1 ZINC000382763718 319124788 /nfs/dbraw/zinc/12/47/88/319124788.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000382730398 319124913 /nfs/dbraw/zinc/12/49/13/319124913.db2.gz AIKJFFTZGKSUQF-KRWDZBQOSA-N 1 3 345.487 1.878 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000414674618 319339654 /nfs/dbraw/zinc/33/96/54/319339654.db2.gz KVKCSRSLQKSNTA-HZPDHXFCSA-N 1 3 346.475 1.768 20 0 EDADHO NCC(=O)N1CCC[C@H](CN2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000414674740 319339891 /nfs/dbraw/zinc/33/98/91/319339891.db2.gz FBUVXOZNTCABJG-GOSISDBHSA-N 1 3 336.524 1.382 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)cc1 ZINC000415084809 319346404 /nfs/dbraw/zinc/34/64/04/319346404.db2.gz ROAISCHYSZEEAM-UHFFFAOYSA-N 1 3 334.464 1.391 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000415196558 319349220 /nfs/dbraw/zinc/34/92/20/319349220.db2.gz SAPPCVIQLUCUMZ-MRXNPFEDSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CCN(C2CCC2)C1 ZINC000415269193 319358960 /nfs/dbraw/zinc/35/89/60/319358960.db2.gz OWFATMCGFNTOEZ-AWEZNQCLSA-N 1 3 344.459 1.417 20 0 EDADHO CN(C)[C@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168845 319396830 /nfs/dbraw/zinc/39/68/30/319396830.db2.gz ARGSXMDYHMKBDG-LJQANCHMSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269272735 443261750 /nfs/dbraw/zinc/26/17/50/443261750.db2.gz UFIYKIPIYXGPAW-BPQIPLTHSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269272735 443261754 /nfs/dbraw/zinc/26/17/54/443261754.db2.gz UFIYKIPIYXGPAW-BPQIPLTHSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269279705 443264482 /nfs/dbraw/zinc/26/44/82/443264482.db2.gz ZYYDXQQUAOIKDM-WBQJQJEBSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CNCCO1 ZINC000269279705 443264487 /nfs/dbraw/zinc/26/44/87/443264487.db2.gz ZYYDXQQUAOIKDM-WBQJQJEBSA-N 1 3 345.487 1.638 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904331 319470567 /nfs/dbraw/zinc/47/05/67/319470567.db2.gz DMEVTEJROMNWNF-DOTOQJQBSA-N 1 3 334.464 1.821 20 0 EDADHO Cc1ccc(C[NH2+]C[C@@H](O)CN2CCCC2)c(-c2cnn(C)c2)c1 ZINC000282754379 443425197 /nfs/dbraw/zinc/42/51/97/443425197.db2.gz VGIWMYIAPVAACJ-GOSISDBHSA-N 1 3 328.460 1.942 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)NCCCNCc1cccnc1 ZINC000422543446 319711834 /nfs/dbraw/zinc/71/18/34/319711834.db2.gz RYAWDIOBGYCVIK-UHFFFAOYSA-N 1 3 326.444 1.753 20 0 EDADHO CN(C)CCn1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1=O ZINC000278827370 443454547 /nfs/dbraw/zinc/45/45/47/443454547.db2.gz UMQCAUWIDLILHH-UHFFFAOYSA-N 1 3 332.448 1.223 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000422956011 319742267 /nfs/dbraw/zinc/74/22/67/319742267.db2.gz ODJZJNUOETXJCZ-QWRGUYRKSA-N 1 3 328.254 1.894 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000423388639 319769269 /nfs/dbraw/zinc/76/92/69/319769269.db2.gz UIOMNGCNCFJCAW-CRAIPNDOSA-N 1 3 333.476 1.674 20 0 EDADHO CN1CCN(CCC[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272350134 443600320 /nfs/dbraw/zinc/60/03/20/443600320.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO CN1CCN(CCC[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272350134 443600324 /nfs/dbraw/zinc/60/03/24/443600324.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000286188003 443664768 /nfs/dbraw/zinc/66/47/68/443664768.db2.gz RQCUKBMUAOBPOI-ZIAGYGMSSA-N 1 3 325.403 1.982 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700086 320332379 /nfs/dbraw/zinc/33/23/79/320332379.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700086 320332380 /nfs/dbraw/zinc/33/23/80/320332380.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000541816317 320777518 /nfs/dbraw/zinc/77/75/18/320777518.db2.gz JUQIFCJUGQDTRU-UHFFFAOYSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161345 443923688 /nfs/dbraw/zinc/92/36/88/443923688.db2.gz XBROUTKPVBULKA-GFOMBABLSA-N 1 3 332.492 1.913 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161345 443923692 /nfs/dbraw/zinc/92/36/92/443923692.db2.gz XBROUTKPVBULKA-GFOMBABLSA-N 1 3 332.492 1.913 20 0 EDADHO CC(C)[N@H+](C)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000299307396 444013291 /nfs/dbraw/zinc/01/32/91/444013291.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 1 3 332.492 1.390 20 0 EDADHO CC(C)[N@@H+](C)CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000299307396 444013296 /nfs/dbraw/zinc/01/32/96/444013296.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 1 3 332.492 1.390 20 0 EDADHO C[C@H](CCCC[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000293562565 444056043 /nfs/dbraw/zinc/05/60/43/444056043.db2.gz XLMMVGFPPMATTK-QGZVFWFLSA-N 1 3 332.492 1.832 20 0 EDADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000562293965 321050295 /nfs/dbraw/zinc/05/02/95/321050295.db2.gz PSIQMNKFYIXPBY-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000563213143 321100749 /nfs/dbraw/zinc/10/07/49/321100749.db2.gz QICHWWNYRMICQM-UHFFFAOYSA-N 1 3 325.416 1.544 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCO[C@H](C)C3)CC2)CC1 ZINC000563375281 321106356 /nfs/dbraw/zinc/10/63/56/321106356.db2.gz FVFCAJRCNZTANK-MRXNPFEDSA-N 1 3 337.508 1.820 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CCC2)cc1OC ZINC000564914482 321156632 /nfs/dbraw/zinc/15/66/32/321156632.db2.gz CXTOWLWYWITROW-UHFFFAOYSA-N 1 3 349.475 1.913 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000565184015 321174425 /nfs/dbraw/zinc/17/44/25/321174425.db2.gz ZQCZCCAQMMYBKD-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000565184015 321174427 /nfs/dbraw/zinc/17/44/27/321174427.db2.gz ZQCZCCAQMMYBKD-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)ccc1CN(C)C ZINC000567466621 321242540 /nfs/dbraw/zinc/24/25/40/321242540.db2.gz IIXRYNAEWNIQRR-UHFFFAOYSA-N 1 3 334.464 1.405 20 0 EDADHO C[C@@H](C(=O)NCc1cccs1)N(C)CCCN(C)CC[NH+](C)C ZINC000289458542 444149807 /nfs/dbraw/zinc/14/98/07/444149807.db2.gz PWLBAEPURCBZHO-HNNXBMFYSA-N 1 3 340.537 1.568 20 0 EDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289849193 444211091 /nfs/dbraw/zinc/21/10/91/444211091.db2.gz RCECNLHXBLPHLV-WBMJQRKESA-N 1 3 325.478 1.641 20 0 EDADHO COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000296520947 444236440 /nfs/dbraw/zinc/23/64/40/444236440.db2.gz SCEJCFHEHOTYIJ-MRXNPFEDSA-N 1 3 349.475 1.102 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122676 /nfs/dbraw/zinc/12/26/76/322122676.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 1 3 345.491 1.106 20 0 EDADHO CC(C)NCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000581381595 322171517 /nfs/dbraw/zinc/17/15/17/322171517.db2.gz NPJARAAXFUSPQM-OAHLLOKOSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)NCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000581381595 322171520 /nfs/dbraw/zinc/17/15/20/322171520.db2.gz NPJARAAXFUSPQM-OAHLLOKOSA-N 1 3 332.448 1.320 20 0 EDADHO O=S(=O)(NC1CCN(CC[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000581716803 322212812 /nfs/dbraw/zinc/21/28/12/322212812.db2.gz YBBRUFFPRVWODZ-HNNXBMFYSA-N 1 3 337.489 1.429 20 0 EDADHO CC(C)COC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343707947 444534703 /nfs/dbraw/zinc/53/47/03/444534703.db2.gz CAPJPEOVQJBDRR-AEFFLSMTSA-N 1 3 327.513 1.120 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332596359 444521484 /nfs/dbraw/zinc/52/14/84/444521484.db2.gz HVNGCYPKWPLMDE-KLHDSHLOSA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000332596359 444521486 /nfs/dbraw/zinc/52/14/86/444521486.db2.gz HVNGCYPKWPLMDE-KLHDSHLOSA-N 1 3 329.510 1.311 20 0 EDADHO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000332596359 444521490 /nfs/dbraw/zinc/52/14/90/444521490.db2.gz HVNGCYPKWPLMDE-KLHDSHLOSA-N 1 3 329.510 1.311 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332852820 444573281 /nfs/dbraw/zinc/57/32/81/444573281.db2.gz XONVBVNTGYFFDH-IKGGRYGDSA-N 1 3 338.496 1.148 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343773781 444581358 /nfs/dbraw/zinc/58/13/58/444581358.db2.gz CCWUZCIZFVNMTN-NPYXIHBLSA-N 1 3 335.492 1.572 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000341009034 444628563 /nfs/dbraw/zinc/62/85/63/444628563.db2.gz DTHOQFWYUAETAG-BPQIPLTHSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000341009034 444628568 /nfs/dbraw/zinc/62/85/68/444628568.db2.gz DTHOQFWYUAETAG-BPQIPLTHSA-N 1 3 332.492 1.941 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894620 444651455 /nfs/dbraw/zinc/65/14/55/444651455.db2.gz VEGKGVVATJPCFD-HZPDHXFCSA-N 1 3 339.480 1.252 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333847632 444703244 /nfs/dbraw/zinc/70/32/44/444703244.db2.gz MTBRGBIEZJSJOA-HNNXBMFYSA-N 1 3 334.464 1.315 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333926221 444720407 /nfs/dbraw/zinc/72/04/07/444720407.db2.gz VGKABDOXTOFQHZ-MDMSPXHWSA-N 1 3 328.460 1.511 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CNC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333587477 444683449 /nfs/dbraw/zinc/68/34/49/444683449.db2.gz OEHOLWTUHZZKBL-GJZGRUSLSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@H](NC(=O)N1CCOC2(CNC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333587477 444683453 /nfs/dbraw/zinc/68/34/53/444683453.db2.gz OEHOLWTUHZZKBL-GJZGRUSLSA-N 1 3 336.480 1.023 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342695789 444819698 /nfs/dbraw/zinc/81/96/98/444819698.db2.gz QADSAUXYWBTWDD-KKUMJFAQSA-N 1 3 327.469 1.141 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCCN1C ZINC000341444271 444835339 /nfs/dbraw/zinc/83/53/39/444835339.db2.gz ZBSCLZOOJZJOQS-GOEBONIOSA-N 1 3 349.479 1.304 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000341559290 444894622 /nfs/dbraw/zinc/89/46/22/444894622.db2.gz FTLSZEDDRIKLDF-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000339015156 444986226 /nfs/dbraw/zinc/98/62/26/444986226.db2.gz YUVHNJQXTMIYBL-IBGZPJMESA-N 1 3 347.503 1.718 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000337499428 445105909 /nfs/dbraw/zinc/10/59/09/445105909.db2.gz BIONGIMHHJXWLM-MSOLQXFVSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H](C)N(C)C1CC1)C(C)C ZINC000342069849 445155755 /nfs/dbraw/zinc/15/57/55/445155755.db2.gz YNWQIPJCDHEOJB-HNNXBMFYSA-N 1 3 340.512 1.163 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084262 445205855 /nfs/dbraw/zinc/20/58/55/445205855.db2.gz CMHPFSJESFSQOO-GDBMZVCRSA-N 1 3 347.459 1.696 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C1 ZINC000347563787 445242443 /nfs/dbraw/zinc/24/24/43/445242443.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 1 3 340.512 1.325 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C1 ZINC000347563787 445242445 /nfs/dbraw/zinc/24/24/45/445242445.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 1 3 340.512 1.325 20 0 EDADHO OCC[C@H]1CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2CCO)COC1 ZINC000348145038 445288712 /nfs/dbraw/zinc/28/87/12/445288712.db2.gz BZSQKOMFTFCONH-USTZCAOPSA-N 1 3 340.508 1.284 20 0 EDADHO OCC[C@H]1CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@H]2CCO)COC1 ZINC000348145038 445288715 /nfs/dbraw/zinc/28/87/15/445288715.db2.gz BZSQKOMFTFCONH-USTZCAOPSA-N 1 3 340.508 1.284 20 0 EDADHO CN(CC(=O)NC(C1CC1)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488981 445408207 /nfs/dbraw/zinc/40/82/07/445408207.db2.gz UAZSLXGFIWTSGO-GOSISDBHSA-N 1 3 348.535 1.392 20 0 EDADHO COC(=O)CCn1nc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357059294 445400391 /nfs/dbraw/zinc/40/03/91/445400391.db2.gz WUHZDYISGNWBFC-KRWDZBQOSA-N 1 3 348.491 1.885 20 0 EDADHO CCN1CCN(CCC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000348947567 445451325 /nfs/dbraw/zinc/45/13/25/445451325.db2.gz JPLIMWGEYRSCRQ-UHFFFAOYSA-N 1 3 338.540 1.786 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(Cl)cnn1C ZINC000349036242 445483796 /nfs/dbraw/zinc/48/37/96/445483796.db2.gz ODCHFWQITYDKQP-AWEZNQCLSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(Cl)cnn1C ZINC000349036242 445483801 /nfs/dbraw/zinc/48/38/01/445483801.db2.gz ODCHFWQITYDKQP-AWEZNQCLSA-N 1 3 327.904 1.921 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000358479405 445621749 /nfs/dbraw/zinc/62/17/49/445621749.db2.gz MNSROJKYLSEYON-UHFFFAOYSA-N 1 3 330.542 1.845 20 0 EDADHO Cc1cccc(OCCNC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515642 445627301 /nfs/dbraw/zinc/62/73/01/445627301.db2.gz MYQYJSVGLDBNCP-UHFFFAOYSA-N 1 3 331.460 1.566 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353492970 445627741 /nfs/dbraw/zinc/62/77/41/445627741.db2.gz QREOWDNUBNZUDN-OTWHNJEPSA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353492970 445627747 /nfs/dbraw/zinc/62/77/47/445627747.db2.gz QREOWDNUBNZUDN-OTWHNJEPSA-N 1 3 343.519 1.796 20 0 EDADHO C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521996 445631145 /nfs/dbraw/zinc/63/11/45/445631145.db2.gz ZGFAJNYXQWLEST-OAHLLOKOSA-N 1 3 344.459 1.476 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000358694584 445721741 /nfs/dbraw/zinc/72/17/41/445721741.db2.gz SXAXWKBCSPORKB-UHFFFAOYSA-N 1 3 349.479 1.163 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358698500 445725145 /nfs/dbraw/zinc/72/51/45/445725145.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358698500 445725151 /nfs/dbraw/zinc/72/51/51/445725151.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 1 3 326.485 1.007 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360982475 445742508 /nfs/dbraw/zinc/74/25/08/445742508.db2.gz CPQUJFQEOBTHGA-QGTPRVQTSA-N 1 3 332.492 1.739 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360982475 445742514 /nfs/dbraw/zinc/74/25/14/445742514.db2.gz CPQUJFQEOBTHGA-QGTPRVQTSA-N 1 3 332.492 1.739 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCSC1 ZINC000353944228 445822251 /nfs/dbraw/zinc/82/22/51/445822251.db2.gz QUASFJNKOKVEBV-KJFZJZGVSA-N 1 3 340.537 1.690 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCSC1 ZINC000353944228 445822256 /nfs/dbraw/zinc/82/22/56/445822256.db2.gz QUASFJNKOKVEBV-KJFZJZGVSA-N 1 3 340.537 1.690 20 0 EDADHO C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000356459288 445801716 /nfs/dbraw/zinc/80/17/16/445801716.db2.gz OARQOGFFROTOLH-OAGGEKHMSA-N 1 3 348.491 1.900 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1[nH]nc2c1CNCC2 ZINC000372901830 445911576 /nfs/dbraw/zinc/91/15/76/445911576.db2.gz JNIRSPXEZUREMJ-XJKSGUPXSA-N 1 3 343.406 1.070 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000582410141 325840672 /nfs/dbraw/zinc/84/06/72/325840672.db2.gz FTMZKSZYLPHXIJ-UHFFFAOYSA-N 1 3 328.501 1.563 20 0 EDADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000372999679 445968245 /nfs/dbraw/zinc/96/82/45/445968245.db2.gz NPEQMFHYPYJNNK-VMWRSERWSA-N 1 3 335.492 1.763 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000361790680 445949015 /nfs/dbraw/zinc/94/90/15/445949015.db2.gz VPZZWBWTYAKURL-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000361790680 445949020 /nfs/dbraw/zinc/94/90/20/445949020.db2.gz VPZZWBWTYAKURL-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000583913098 326163699 /nfs/dbraw/zinc/16/36/99/326163699.db2.gz KJWJOSRIERYWKT-UHFFFAOYSA-N 1 3 337.508 1.982 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000583913098 326163701 /nfs/dbraw/zinc/16/37/01/326163701.db2.gz KJWJOSRIERYWKT-UHFFFAOYSA-N 1 3 337.508 1.982 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000365670835 446294654 /nfs/dbraw/zinc/29/46/54/446294654.db2.gz FXKSJXOAYHKOTF-FQEVSTJZSA-N 1 3 346.519 1.389 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000365670835 446294659 /nfs/dbraw/zinc/29/46/59/446294659.db2.gz FXKSJXOAYHKOTF-FQEVSTJZSA-N 1 3 346.519 1.389 20 0 EDADHO CN(CCCNC(=O)[C@]1(N(C)C)CCc2ccccc21)CC[NH+](C)C ZINC000365670835 446294663 /nfs/dbraw/zinc/29/46/63/446294663.db2.gz FXKSJXOAYHKOTF-FQEVSTJZSA-N 1 3 346.519 1.389 20 0 EDADHO CCCCOC(=O)CCN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000362252552 446287106 /nfs/dbraw/zinc/28/71/06/446287106.db2.gz BACFGBPCHVRXAP-KRWDZBQOSA-N 1 3 325.497 1.679 20 0 EDADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CN2CCN1CCC2 ZINC000362315698 446316757 /nfs/dbraw/zinc/31/67/57/446316757.db2.gz DEHJHONTCADAQQ-IBGZPJMESA-N 1 3 342.487 1.653 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417593415 446366497 /nfs/dbraw/zinc/36/64/97/446366497.db2.gz ZSEYFFKCTPPJKF-AWEZNQCLSA-N 1 3 326.485 1.447 20 0 EDADHO CSCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417824644 446374341 /nfs/dbraw/zinc/37/43/41/446374341.db2.gz BHJNWOHPXYBDCH-NUEKZKHPSA-N 1 3 339.480 1.715 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000417941025 446393406 /nfs/dbraw/zinc/39/34/06/446393406.db2.gz ADUOZKYFEMCUOU-CVEARBPZSA-N 1 3 349.479 1.339 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[C@H]1c1ccccc1 ZINC000417946275 446394776 /nfs/dbraw/zinc/39/47/76/446394776.db2.gz RFHPTBPKPFGXOQ-XLAORIBOSA-N 1 3 328.460 1.825 20 0 EDADHO C[C@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417952924 446398419 /nfs/dbraw/zinc/39/84/19/446398419.db2.gz OWDNSWJDANMYQC-GOEBONIOSA-N 1 3 349.479 1.209 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000417362887 446348969 /nfs/dbraw/zinc/34/89/69/446348969.db2.gz LJTYQBCJRQRRTD-ZBFHGGJFSA-N 1 3 334.464 1.554 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770623 446428325 /nfs/dbraw/zinc/42/83/25/446428325.db2.gz DQMIXTXJAUIBDX-OKZBNKHCSA-N 1 3 325.456 1.425 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770623 446428330 /nfs/dbraw/zinc/42/83/30/446428330.db2.gz DQMIXTXJAUIBDX-OKZBNKHCSA-N 1 3 325.456 1.425 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418186399 446452509 /nfs/dbraw/zinc/45/25/09/446452509.db2.gz RUWVMNQLEWFWLB-WMZOPIPTSA-N 1 3 347.507 1.191 20 0 EDADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418175293 446446775 /nfs/dbraw/zinc/44/67/75/446446775.db2.gz SORDMWDUGHVODZ-CALCHBBNSA-N 1 3 334.508 1.894 20 0 EDADHO C[C@@H]([NH3+])C1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000420283992 446449696 /nfs/dbraw/zinc/44/96/96/446449696.db2.gz CFYUYCULYBGCLR-OAHLLOKOSA-N 1 3 339.505 1.507 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[NH2+]1 ZINC000417988741 446409139 /nfs/dbraw/zinc/40/91/39/446409139.db2.gz IRSCHTNFBCFCJH-OLMNPRSZSA-N 1 3 346.475 1.193 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417994634 446410504 /nfs/dbraw/zinc/41/05/04/446410504.db2.gz OYLSWFGILRYUKM-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418016369 446416765 /nfs/dbraw/zinc/41/67/65/446416765.db2.gz QZINCVLXBNSZQP-BVIKNXMNSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418016369 446416767 /nfs/dbraw/zinc/41/67/67/446416767.db2.gz QZINCVLXBNSZQP-BVIKNXMNSA-N 1 3 330.476 1.899 20 0 EDADHO CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420297144 446459886 /nfs/dbraw/zinc/45/98/86/446459886.db2.gz FOOZENNTELQBRW-QYZOEREBSA-N 1 3 347.503 1.546 20 0 EDADHO CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420297144 446459892 /nfs/dbraw/zinc/45/98/92/446459892.db2.gz FOOZENNTELQBRW-QYZOEREBSA-N 1 3 347.503 1.546 20 0 EDADHO CN(CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420316641 446481518 /nfs/dbraw/zinc/48/15/18/446481518.db2.gz MWHLIAKSOAKWMS-HNNXBMFYSA-N 1 3 340.489 1.790 20 0 EDADHO O[C@H](COc1ccccc1)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420312642 446474801 /nfs/dbraw/zinc/47/48/01/446474801.db2.gz IFMGCUSWBGGAJF-MOPGFXCFSA-N 1 3 347.503 1.434 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475432 /nfs/dbraw/zinc/47/54/32/446475432.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 1 3 338.496 1.221 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475440 /nfs/dbraw/zinc/47/54/40/446475440.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 1 3 338.496 1.221 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418190874 446453839 /nfs/dbraw/zinc/45/38/39/446453839.db2.gz KAGJUROGHLKRLV-GDBMZVCRSA-N 1 3 349.479 1.339 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398162 446527947 /nfs/dbraw/zinc/52/79/47/446527947.db2.gz KGNYVQYGBPHZOD-QZTJIDSGSA-N 1 3 345.491 1.815 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433144334 446537826 /nfs/dbraw/zinc/53/78/26/446537826.db2.gz LYQCZSHCZKDKKY-NUJGCVRESA-N 1 3 339.524 1.955 20 0 EDADHO CC(CCN1CCSC[C@H]1CO)CC[N@@H+]1CCSC[C@H]1CO ZINC000411432961 446538878 /nfs/dbraw/zinc/53/88/78/446538878.db2.gz XBLNCIXVLSKVCN-HZPDHXFCSA-N 1 3 348.578 1.222 20 0 EDADHO CC(CCN1CCSC[C@H]1CO)CC[N@H+]1CCSC[C@H]1CO ZINC000411432961 446538884 /nfs/dbraw/zinc/53/88/84/446538884.db2.gz XBLNCIXVLSKVCN-HZPDHXFCSA-N 1 3 348.578 1.222 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420362885 446542045 /nfs/dbraw/zinc/54/20/45/446542045.db2.gz ZQLSLNHOOOGCDS-FCEWJHQRSA-N 1 3 344.503 1.577 20 0 EDADHO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCOCC[NH3+] ZINC000420368679 446545507 /nfs/dbraw/zinc/54/55/07/446545507.db2.gz IDEMEIHOCKYGES-APWZRJJASA-N 1 3 334.508 1.898 20 0 EDADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000453202074 446550825 /nfs/dbraw/zinc/55/08/25/446550825.db2.gz YEUACLVVTHMDMV-APWZRJJASA-N 1 3 348.487 1.927 20 0 EDADHO C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC(C)CC1 ZINC000433391038 446568164 /nfs/dbraw/zinc/56/81/64/446568164.db2.gz UGBOCRDKUGWDRT-GJZGRUSLSA-N 1 3 334.468 1.053 20 0 EDADHO CN(C)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405364 446570961 /nfs/dbraw/zinc/57/09/61/446570961.db2.gz FIUSBRZOHDXKOC-HZPDHXFCSA-N 1 3 342.447 1.235 20 0 EDADHO [NH3+]C1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCC1 ZINC000418510221 446573727 /nfs/dbraw/zinc/57/37/27/446573727.db2.gz NSDOYZQWGWQQHH-DLBZAZTESA-N 1 3 346.475 1.050 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418520853 446578956 /nfs/dbraw/zinc/57/89/56/446578956.db2.gz HYIKUHJXMQBNKI-IBGZPJMESA-N 1 3 344.503 1.946 20 0 EDADHO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N(C)CCN(C)C)cc1 ZINC000418546306 446587755 /nfs/dbraw/zinc/58/77/55/446587755.db2.gz JKFWLGZMHTVQET-IAGOWNOFSA-N 1 3 334.464 1.344 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418567930 446598232 /nfs/dbraw/zinc/59/82/32/446598232.db2.gz XCZITNIHAZOOFH-MAUKXSAKSA-N 1 3 334.464 1.002 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927654 446609645 /nfs/dbraw/zinc/60/96/45/446609645.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 1 3 336.398 1.875 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367927654 446609649 /nfs/dbraw/zinc/60/96/49/446609649.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 1 3 336.398 1.875 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000423747598 446675803 /nfs/dbraw/zinc/67/58/03/446675803.db2.gz SRBDHQYCWOOTBD-OALUTQOASA-N 1 3 344.503 1.705 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000423747598 446675810 /nfs/dbraw/zinc/67/58/10/446675810.db2.gz SRBDHQYCWOOTBD-OALUTQOASA-N 1 3 344.503 1.705 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654031 446635477 /nfs/dbraw/zinc/63/54/77/446635477.db2.gz BJVTXJURTNFNCL-DLBZAZTESA-N 1 3 334.464 1.439 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423768063 446694675 /nfs/dbraw/zinc/69/46/75/446694675.db2.gz ZRWPUAIPDVMIFG-MOPGFXCFSA-N 1 3 344.503 1.185 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423768063 446694681 /nfs/dbraw/zinc/69/46/81/446694681.db2.gz ZRWPUAIPDVMIFG-MOPGFXCFSA-N 1 3 344.503 1.185 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418759206 446679080 /nfs/dbraw/zinc/67/90/80/446679080.db2.gz GDSQNIVDGWROOW-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000418759949 446679137 /nfs/dbraw/zinc/67/91/37/446679137.db2.gz AEDFEZHGUKNGFL-PYTCMNEWSA-N 1 3 334.508 1.746 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749787 446680290 /nfs/dbraw/zinc/68/02/90/446680290.db2.gz SHDXVHULHVVMSL-OWCLPIDISA-N 1 3 339.480 1.108 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418855153 446754398 /nfs/dbraw/zinc/75/43/98/446754398.db2.gz CWZDIHUHCFRSNC-CQSZACIVSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000418959167 446829398 /nfs/dbraw/zinc/82/93/98/446829398.db2.gz HFHYNCKDCSEQSO-HOCLYGCPSA-N 1 3 338.496 1.014 20 0 EDADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(F)F ZINC000454444804 446876438 /nfs/dbraw/zinc/87/64/38/446876438.db2.gz CXPMDVCTHBOARA-LBPRGKRZSA-N 1 3 332.439 1.888 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCCN(C)C1 ZINC000412143480 446878164 /nfs/dbraw/zinc/87/81/64/446878164.db2.gz ZLKIZUVIOLSYQQ-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419097266 446922132 /nfs/dbraw/zinc/92/21/32/446922132.db2.gz DMCZABNPOQSISF-PMPSAXMXSA-N 1 3 338.496 1.001 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CN)CC(C)C ZINC000419127776 446939563 /nfs/dbraw/zinc/93/95/63/446939563.db2.gz SLHZMCLSKBTEBT-CVEARBPZSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@@H+]1C ZINC000371765768 446960437 /nfs/dbraw/zinc/96/04/37/446960437.db2.gz MTEOHZNLJNQKDD-FUHWJXTLSA-N 1 3 347.507 1.924 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@H+]1C ZINC000371765768 446960443 /nfs/dbraw/zinc/96/04/43/446960443.db2.gz MTEOHZNLJNQKDD-FUHWJXTLSA-N 1 3 347.507 1.924 20 0 EDADHO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057314 446999519 /nfs/dbraw/zinc/99/95/19/446999519.db2.gz GGIJWQQSEMRERB-OAGGEKHMSA-N 1 3 347.459 1.392 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419279234 447053681 /nfs/dbraw/zinc/05/36/81/447053681.db2.gz CJQKGGNAWRGTMG-AWEZNQCLSA-N 1 3 334.464 1.171 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000368720980 447065096 /nfs/dbraw/zinc/06/50/96/447065096.db2.gz CHXSKVSBRPKRHD-JKSUJKDBSA-N 1 3 340.512 1.347 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447028025 /nfs/dbraw/zinc/02/80/25/447028025.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 1 3 339.480 1.840 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760155 447028032 /nfs/dbraw/zinc/02/80/32/447028032.db2.gz SKJYBFSBQJDFNF-GVDBMIGSSA-N 1 3 339.480 1.840 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCCN(CCCO)C1 ZINC000458707132 447458354 /nfs/dbraw/zinc/45/83/54/447458354.db2.gz NKCKLIKQEADTPP-INIZCTEOSA-N 1 3 338.496 1.007 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000390748646 447496336 /nfs/dbraw/zinc/49/63/36/447496336.db2.gz RDSFYCROCXGBRJ-HKUYNNGSSA-N 1 3 331.460 1.393 20 0 EDADHO [NH3+][C@H](CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CC1 ZINC000415539220 447504217 /nfs/dbraw/zinc/50/42/17/447504217.db2.gz LMHFMAURXRADJP-QGZVFWFLSA-N 1 3 344.459 1.465 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424277 447577620 /nfs/dbraw/zinc/57/76/20/447577620.db2.gz QFNSIRDZZIQRNL-QZTJIDSGSA-N 1 3 348.491 1.435 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424277 447577625 /nfs/dbraw/zinc/57/76/25/447577625.db2.gz QFNSIRDZZIQRNL-QZTJIDSGSA-N 1 3 348.491 1.435 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000419986953 447530220 /nfs/dbraw/zinc/53/02/20/447530220.db2.gz WVPWUKDGSVTIOD-MRXNPFEDSA-N 1 3 340.512 1.056 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N[C@@H](C)c1ccccc1 ZINC000420020533 447549917 /nfs/dbraw/zinc/54/99/17/447549917.db2.gz FRBPKKOXYZYBTM-YQQAZPJKSA-N 1 3 348.491 1.332 20 0 EDADHO C[C@H]1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000404271034 447598613 /nfs/dbraw/zinc/59/86/13/447598613.db2.gz KTGNDGPFCGLZPR-BBRMVZONSA-N 1 3 341.477 1.162 20 0 EDADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124172 447617201 /nfs/dbraw/zinc/61/72/01/447617201.db2.gz LWYNXBMZDRZBBA-JKIFEVAISA-N 1 3 346.475 1.167 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420129450 447621862 /nfs/dbraw/zinc/62/18/62/447621862.db2.gz UZIACDOAJQTHQS-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422600367 447664168 /nfs/dbraw/zinc/66/41/68/447664168.db2.gz TUTCDVOGBYCXKF-UHFFFAOYSA-N 1 3 336.480 1.596 20 0 EDADHO CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000422697160 447718937 /nfs/dbraw/zinc/71/89/37/447718937.db2.gz UBRBETZFKHOWDS-DLBZAZTESA-N 1 3 332.496 1.109 20 0 EDADHO CCN(CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])S(C)(=O)=O ZINC000422722019 447728538 /nfs/dbraw/zinc/72/85/38/447728538.db2.gz WRKRSNNDNXVGQL-GDBMZVCRSA-N 1 3 327.494 1.206 20 0 EDADHO CC[C@@H](CNC(=O)NC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417009295 447729309 /nfs/dbraw/zinc/72/93/09/447729309.db2.gz KEGCUYJZPHCJGM-SFHVURJKSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NCC[NH2+]C1CCNCC1)c1ccc(Br)cc1 ZINC000422732002 447731908 /nfs/dbraw/zinc/73/19/08/447731908.db2.gz NAEVFLWYRWGERJ-UHFFFAOYSA-N 1 3 326.238 1.521 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422753556 447739638 /nfs/dbraw/zinc/73/96/38/447739638.db2.gz DZUHBKQBJQDUKN-KZNAEPCWSA-N 1 3 331.460 1.935 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000422754710 447740778 /nfs/dbraw/zinc/74/07/78/447740778.db2.gz AQXCPLAFNIZBPA-AZUAARDMSA-N 1 3 330.520 1.782 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845391 447767343 /nfs/dbraw/zinc/76/73/43/447767343.db2.gz NWPAHJBDFLKYHE-PKOBYXMFSA-N 1 3 344.503 1.832 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845391 447767350 /nfs/dbraw/zinc/76/73/50/447767350.db2.gz NWPAHJBDFLKYHE-PKOBYXMFSA-N 1 3 344.503 1.832 20 0 EDADHO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000422848271 447768776 /nfs/dbraw/zinc/76/87/76/447768776.db2.gz JLXCAXLJVPNMPY-WMLDXEAASA-N 1 3 334.464 1.383 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969596 447784094 /nfs/dbraw/zinc/78/40/94/447784094.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 1 3 343.515 1.916 20 0 EDADHO OC[C@@H](CNC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423078224 447799988 /nfs/dbraw/zinc/79/99/88/447799988.db2.gz VQVMYVASBJIQAM-CYBMUJFWSA-N 1 3 327.266 1.942 20 0 EDADHO OC[C@@H](C[NH2+]C1CCNCC1)Cc1cccc(Br)c1 ZINC000423078224 447799991 /nfs/dbraw/zinc/79/99/91/447799991.db2.gz VQVMYVASBJIQAM-CYBMUJFWSA-N 1 3 327.266 1.942 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCN1C ZINC000569741170 447880877 /nfs/dbraw/zinc/88/08/77/447880877.db2.gz ZLEUIUKLCWSQGU-FVQBIDKESA-N 1 3 325.522 1.803 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574989 447917699 /nfs/dbraw/zinc/91/76/99/447917699.db2.gz QAYZLEHLTWORFK-AZUAARDMSA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574989 447917705 /nfs/dbraw/zinc/91/77/05/447917705.db2.gz QAYZLEHLTWORFK-AZUAARDMSA-N 1 3 345.487 1.470 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814459 447963910 /nfs/dbraw/zinc/96/39/10/447963910.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 1 3 331.460 1.224 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814459 447963916 /nfs/dbraw/zinc/96/39/16/447963916.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 1 3 331.460 1.224 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298318 448058557 /nfs/dbraw/zinc/05/85/57/448058557.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 1 3 345.487 1.565 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298318 448058560 /nfs/dbraw/zinc/05/85/60/448058560.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 1 3 345.487 1.565 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000576460416 448060243 /nfs/dbraw/zinc/06/02/43/448060243.db2.gz VWKCTBGEYVMRJP-RTBURBONSA-N 1 3 336.476 1.376 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000531357828 448069611 /nfs/dbraw/zinc/06/96/11/448069611.db2.gz DSEGMBWCYKAKGM-UHFFFAOYSA-N 1 3 342.487 1.972 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000531483831 448092088 /nfs/dbraw/zinc/09/20/88/448092088.db2.gz CEIXNSXQBBUQKZ-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)OC[C@@H]1CCCO1 ZINC000497054678 448161444 /nfs/dbraw/zinc/16/14/44/448161444.db2.gz MZNCEZFBWCPYKB-CVEARBPZSA-N 1 3 327.469 1.650 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)OC[C@@H]1CCCO1 ZINC000497054678 448161446 /nfs/dbraw/zinc/16/14/46/448161446.db2.gz MZNCEZFBWCPYKB-CVEARBPZSA-N 1 3 327.469 1.650 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1 ZINC000527113397 448162494 /nfs/dbraw/zinc/16/24/94/448162494.db2.gz ZPCVADPPDANJON-LJQANCHMSA-N 1 3 331.460 1.224 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)N1CCc2ccccc2C1 ZINC000509335181 448150649 /nfs/dbraw/zinc/15/06/49/448150649.db2.gz DNYNIEIABAUMJA-QRVBRYPASA-N 1 3 345.487 1.692 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000577103726 448210943 /nfs/dbraw/zinc/21/09/43/448210943.db2.gz XWZVLEPWKXTKEH-QAPCUYQASA-N 1 3 330.476 1.761 20 0 EDADHO OCCC1CCN(CCOCC[NH+]2CCC(CCO)CC2)CC1 ZINC000532555535 448273592 /nfs/dbraw/zinc/27/35/92/448273592.db2.gz ULIYXSUCIUHSKI-UHFFFAOYSA-N 1 3 328.497 1.192 20 0 EDADHO CC1CCN(CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000515058233 448251876 /nfs/dbraw/zinc/25/18/76/448251876.db2.gz OWHWTNYPZREKGW-SFHVURJKSA-N 1 3 330.476 1.986 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441973 448261127 /nfs/dbraw/zinc/26/11/27/448261127.db2.gz SPQAEHUXKHPWRG-BRWVUGGUSA-N 1 3 336.549 1.966 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441973 448261129 /nfs/dbraw/zinc/26/11/29/448261129.db2.gz SPQAEHUXKHPWRG-BRWVUGGUSA-N 1 3 336.549 1.966 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441973 448261132 /nfs/dbraw/zinc/26/11/32/448261132.db2.gz SPQAEHUXKHPWRG-BRWVUGGUSA-N 1 3 336.549 1.966 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696143 448261731 /nfs/dbraw/zinc/26/17/31/448261731.db2.gz MEUXWHSWPHTVKM-MRXNPFEDSA-N 1 3 340.512 1.565 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696143 448261737 /nfs/dbraw/zinc/26/17/37/448261737.db2.gz MEUXWHSWPHTVKM-MRXNPFEDSA-N 1 3 340.512 1.565 20 0 EDADHO C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000515411310 448309704 /nfs/dbraw/zinc/30/97/04/448309704.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000515411310 448309707 /nfs/dbraw/zinc/30/97/07/448309707.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 1 3 338.496 1.101 20 0 EDADHO CN1CCC(C[NH2+]Cc2ccc3c[nH]nc3c2)(N2CCOCC2)CC1 ZINC000572223578 448316934 /nfs/dbraw/zinc/31/69/34/448316934.db2.gz LNCWYSCVNXARCC-UHFFFAOYSA-N 1 3 343.475 1.449 20 0 EDADHO C[C@H]1CCN(CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386363 448285160 /nfs/dbraw/zinc/28/51/60/448285160.db2.gz PRQJEGIWXIOGLL-HOCLYGCPSA-N 1 3 325.522 1.662 20 0 EDADHO COC(=O)[C@@H]1CN(C)CCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000591263208 448301085 /nfs/dbraw/zinc/30/10/85/448301085.db2.gz MWVQJWSRPABDBD-QGZVFWFLSA-N 1 3 349.475 1.164 20 0 EDADHO CN1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000516629961 448452326 /nfs/dbraw/zinc/45/23/26/448452326.db2.gz DEIPDKOSQSOPLM-UHFFFAOYSA-N 1 3 344.503 1.536 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000566673463 448534472 /nfs/dbraw/zinc/53/44/72/448534472.db2.gz NIAXYRNYEKIFQQ-VQHPVUNQSA-N 1 3 329.529 1.413 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497658 448560879 /nfs/dbraw/zinc/56/08/79/448560879.db2.gz RUUPTNCJNBAONW-IRXDYDNUSA-N 1 3 345.491 1.098 20 0 EDADHO Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000517556734 448591508 /nfs/dbraw/zinc/59/15/08/448591508.db2.gz SYBKBKTWMWRKOV-GOSISDBHSA-N 1 3 332.492 1.614 20 0 EDADHO Cc1cc(N2CCN(C)CC2)ccc1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517556734 448591513 /nfs/dbraw/zinc/59/15/13/448591513.db2.gz SYBKBKTWMWRKOV-GOSISDBHSA-N 1 3 332.492 1.614 20 0 EDADHO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)cc1 ZINC000573480872 448638950 /nfs/dbraw/zinc/63/89/50/448638950.db2.gz VQKQDJZSWLFAGC-YJBOKZPZSA-N 1 3 334.460 1.813 20 0 EDADHO CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000518215370 448655558 /nfs/dbraw/zinc/65/55/58/448655558.db2.gz QHJNJBVDRKRALL-QGZVFWFLSA-N 1 3 344.503 1.937 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214978 448655707 /nfs/dbraw/zinc/65/57/07/448655707.db2.gz ILSVBGYQNTWHCV-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214978 448655709 /nfs/dbraw/zinc/65/57/09/448655709.db2.gz ILSVBGYQNTWHCV-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2CC([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000573438133 448627082 /nfs/dbraw/zinc/62/70/82/448627082.db2.gz AKHSKVVAEVWMJL-QNVOQPSNSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)C[C@H](C)O1 ZINC000573438133 448627087 /nfs/dbraw/zinc/62/70/87/448627087.db2.gz AKHSKVVAEVWMJL-QNVOQPSNSA-N 1 3 325.497 1.063 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994867 448688764 /nfs/dbraw/zinc/68/87/64/448688764.db2.gz SMDDABURRVIUPV-QZTJIDSGSA-N 1 3 336.524 1.428 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994867 448688769 /nfs/dbraw/zinc/68/87/69/448688769.db2.gz SMDDABURRVIUPV-QZTJIDSGSA-N 1 3 336.524 1.428 20 0 EDADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000547535208 448896180 /nfs/dbraw/zinc/89/61/80/448896180.db2.gz JSAAKOPPGMHCIC-UHFFFAOYSA-N 1 3 339.411 1.178 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000547508192 448892301 /nfs/dbraw/zinc/89/23/01/448892301.db2.gz OFFUVYFDKBADQW-UHFFFAOYSA-N 1 3 334.464 1.315 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)cc1 ZINC000569353055 449010345 /nfs/dbraw/zinc/01/03/45/449010345.db2.gz GMLCTNQVPWFVPW-RDTXWAMCSA-N 1 3 347.459 1.625 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530215861 449084447 /nfs/dbraw/zinc/08/44/47/449084447.db2.gz JTUVTWDOMLFEOC-UHTWSYAYSA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215861 449084451 /nfs/dbraw/zinc/08/44/51/449084451.db2.gz JTUVTWDOMLFEOC-UHTWSYAYSA-N 1 3 328.359 1.893 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)C(=O)OC)CC2)CC1 ZINC000594351167 449463114 /nfs/dbraw/zinc/46/31/14/449463114.db2.gz FLUUXCMLQFSTCI-CQSZACIVSA-N 1 3 339.480 1.203 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000598666192 449529262 /nfs/dbraw/zinc/52/92/62/449529262.db2.gz VPQFEKXXPRZXHE-ROUUACIJSA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000607244678 449589541 /nfs/dbraw/zinc/58/95/41/449589541.db2.gz UQYBGOFHURRWCQ-SFHVURJKSA-N 1 3 348.491 1.435 20 0 EDADHO Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507235 449656648 /nfs/dbraw/zinc/65/66/48/449656648.db2.gz NHGCRUGWOYHVMP-ZDUSSCGKSA-N 1 3 336.480 1.937 20 0 EDADHO Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507235 449656654 /nfs/dbraw/zinc/65/66/54/449656654.db2.gz NHGCRUGWOYHVMP-ZDUSSCGKSA-N 1 3 336.480 1.937 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000617503308 449645805 /nfs/dbraw/zinc/64/58/05/449645805.db2.gz DKUDEBMXONNDSP-GJZGRUSLSA-N 1 3 339.455 1.981 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000617503308 449645810 /nfs/dbraw/zinc/64/58/10/449645810.db2.gz DKUDEBMXONNDSP-GJZGRUSLSA-N 1 3 339.455 1.981 20 0 EDADHO Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503246 449646852 /nfs/dbraw/zinc/64/68/52/449646852.db2.gz ATPGVKWCNIRJCC-INIZCTEOSA-N 1 3 348.491 1.113 20 0 EDADHO Cc1ccccc1C(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503246 449646856 /nfs/dbraw/zinc/64/68/56/449646856.db2.gz ATPGVKWCNIRJCC-INIZCTEOSA-N 1 3 348.491 1.113 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000608692368 449911211 /nfs/dbraw/zinc/91/12/11/449911211.db2.gz JHLMKIHVTNVOOX-DLBZAZTESA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692368 449911213 /nfs/dbraw/zinc/91/12/13/449911213.db2.gz JHLMKIHVTNVOOX-DLBZAZTESA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978973 449968837 /nfs/dbraw/zinc/96/88/37/449968837.db2.gz CVOGBMAKJOAVLP-NXHRZFHOSA-N 1 3 342.487 1.948 20 0 EDADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000595340347 450054307 /nfs/dbraw/zinc/05/43/07/450054307.db2.gz RTJIDLKBTBVOLT-CEXWTWQISA-N 1 3 338.540 1.196 20 0 EDADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000595340347 450054313 /nfs/dbraw/zinc/05/43/13/450054313.db2.gz RTJIDLKBTBVOLT-CEXWTWQISA-N 1 3 338.540 1.196 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)CC1 ZINC000615511916 450119149 /nfs/dbraw/zinc/11/91/49/450119149.db2.gz ARBCILZTPNBMJQ-UHFFFAOYSA-N 1 3 344.503 1.851 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](OC)C3)CC2)CC1 ZINC000613810608 450324462 /nfs/dbraw/zinc/32/44/62/450324462.db2.gz HQESDAUCPRKWKC-KRWDZBQOSA-N 1 3 339.480 1.014 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000619893439 450358834 /nfs/dbraw/zinc/35/88/34/450358834.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000619893439 450358839 /nfs/dbraw/zinc/35/88/39/450358839.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623405079 450515758 /nfs/dbraw/zinc/51/57/58/450515758.db2.gz XKLJEQIERAWKGJ-UHFFFAOYSA-N 1 3 346.454 1.524 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623405079 450515760 /nfs/dbraw/zinc/51/57/60/450515760.db2.gz XKLJEQIERAWKGJ-UHFFFAOYSA-N 1 3 346.454 1.524 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623900685 450630122 /nfs/dbraw/zinc/63/01/22/450630122.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623900685 450630126 /nfs/dbraw/zinc/63/01/26/450630126.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)cc1 ZINC000633080887 450666943 /nfs/dbraw/zinc/66/69/43/450666943.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000633080887 450666948 /nfs/dbraw/zinc/66/69/48/450666948.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 1 3 330.476 1.963 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900688 450630205 /nfs/dbraw/zinc/63/02/05/450630205.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900688 450630211 /nfs/dbraw/zinc/63/02/11/450630211.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000631849292 450824455 /nfs/dbraw/zinc/82/44/55/450824455.db2.gz DDKKIUVIKPOZFB-OALUTQOASA-N 1 3 342.487 1.075 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798852 /nfs/dbraw/zinc/79/88/52/450798852.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798858 /nfs/dbraw/zinc/79/88/58/450798858.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798862 /nfs/dbraw/zinc/79/88/62/450798862.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 1 3 343.515 1.943 20 0 EDADHO CCn1nccc1CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000621775099 450862793 /nfs/dbraw/zinc/86/27/93/450862793.db2.gz GEOGQOITCFAJLJ-NVXWUHKLSA-N 1 3 333.480 1.026 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000635457741 450957869 /nfs/dbraw/zinc/95/78/69/450957869.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 1 3 345.491 1.052 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000635457741 450957875 /nfs/dbraw/zinc/95/78/75/450957875.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 1 3 345.491 1.052 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC2(C[NH3+])CCOCC2)N(C)C)cc1 ZINC000626921606 451005025 /nfs/dbraw/zinc/00/50/25/451005025.db2.gz DYWPUVQPKNDEOO-QGZVFWFLSA-N 1 3 348.491 1.659 20 0 EDADHO CCN(CC[NH3+])C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000626954127 451030891 /nfs/dbraw/zinc/03/08/91/451030891.db2.gz OMVWTMCYKFMKMM-UHFFFAOYSA-N 1 3 348.491 1.897 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000626993756 451060165 /nfs/dbraw/zinc/06/01/65/451060165.db2.gz MGWQVIRYPBLXGQ-UOVPBQLFSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CN1Cc1ccccc1 ZINC000626998488 451064975 /nfs/dbraw/zinc/06/49/75/451064975.db2.gz OATUFMIWEXIENJ-WBVHZDCISA-N 1 3 334.464 1.266 20 0 EDADHO C[C@H](NS(=O)(=O)CCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197338 451107517 /nfs/dbraw/zinc/10/75/17/451107517.db2.gz PCMHZIVWEZMIAK-LSDHHAIUSA-N 1 3 331.526 1.511 20 0 EDADHO C[C@H](NS(=O)(=O)CCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197338 451107522 /nfs/dbraw/zinc/10/75/22/451107522.db2.gz PCMHZIVWEZMIAK-LSDHHAIUSA-N 1 3 331.526 1.511 20 0 EDADHO CN(C)CCCS(=O)(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000632241465 451138296 /nfs/dbraw/zinc/13/82/96/451138296.db2.gz LIOQRIZPFQOQMH-UHFFFAOYSA-N 1 3 333.542 1.854 20 0 EDADHO Cc1cc(CN)oc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000638087654 451251049 /nfs/dbraw/zinc/25/10/49/451251049.db2.gz DJPPKETYRJCTLT-UHFFFAOYSA-N 1 3 334.464 1.335 20 0 EDADHO Cc1cc(CN)oc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000638087654 451251053 /nfs/dbraw/zinc/25/10/53/451251053.db2.gz DJPPKETYRJCTLT-UHFFFAOYSA-N 1 3 334.464 1.335 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000640324625 451254887 /nfs/dbraw/zinc/25/48/87/451254887.db2.gz UJPSZHOFBRNKNR-QGZVFWFLSA-N 1 3 346.475 1.179 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638099405 451265053 /nfs/dbraw/zinc/26/50/53/451265053.db2.gz HMXGDCGNZOWZJS-MRXNPFEDSA-N 1 3 330.476 1.233 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000638111779 451279827 /nfs/dbraw/zinc/27/98/27/451279827.db2.gz HJOYHCBRIMFKNR-IEBWSBKVSA-N 1 3 344.503 1.403 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596289 451336340 /nfs/dbraw/zinc/33/63/40/451336340.db2.gz LPPUDXHZJOCBQH-SJORKVTESA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596289 451336343 /nfs/dbraw/zinc/33/63/43/451336343.db2.gz LPPUDXHZJOCBQH-SJORKVTESA-N 1 3 346.479 1.898 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200085 451351461 /nfs/dbraw/zinc/35/14/61/451351461.db2.gz NTWGPRSTXLQWOB-UONOGXRCSA-N 1 3 345.447 1.303 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638285405 451403434 /nfs/dbraw/zinc/40/34/34/451403434.db2.gz KLOSXQXXOUZQBR-ZWKOTPCHSA-N 1 3 332.492 1.388 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700554 451473612 /nfs/dbraw/zinc/47/36/12/451473612.db2.gz BKCFJVMKGHPGKZ-RTBURBONSA-N 1 3 339.524 1.047 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700554 451473619 /nfs/dbraw/zinc/47/36/19/451473619.db2.gz BKCFJVMKGHPGKZ-RTBURBONSA-N 1 3 339.524 1.047 20 0 EDADHO CC[C@H](C)NC(=O)CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700216 451474104 /nfs/dbraw/zinc/47/41/04/451474104.db2.gz VRKIICYWGDCRSG-LPHOPBHVSA-N 1 3 333.476 1.518 20 0 EDADHO CC[C@H](C)NC(=O)CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700216 451474108 /nfs/dbraw/zinc/47/41/08/451474108.db2.gz VRKIICYWGDCRSG-LPHOPBHVSA-N 1 3 333.476 1.518 20 0 EDADHO CN(CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346304 451448917 /nfs/dbraw/zinc/44/89/17/451448917.db2.gz HSBNHPQGAGIQAL-HZPDHXFCSA-N 1 3 325.497 1.709 20 0 EDADHO OC[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719925 451499104 /nfs/dbraw/zinc/49/91/04/451499104.db2.gz BPLYPXXLMIVQAZ-RTWAWAEBSA-N 1 3 340.467 1.989 20 0 EDADHO OC[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719925 451499111 /nfs/dbraw/zinc/49/91/11/451499111.db2.gz BPLYPXXLMIVQAZ-RTWAWAEBSA-N 1 3 340.467 1.989 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000634724285 451506001 /nfs/dbraw/zinc/50/60/01/451506001.db2.gz NGDSPMUNJJWCCJ-YZGWKJHDSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CN1CCOCC1 ZINC000634724285 451506006 /nfs/dbraw/zinc/50/60/06/451506006.db2.gz NGDSPMUNJJWCCJ-YZGWKJHDSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CN1CCOCC1 ZINC000634724285 451506011 /nfs/dbraw/zinc/50/60/11/451506011.db2.gz NGDSPMUNJJWCCJ-YZGWKJHDSA-N 1 3 347.503 1.037 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638550275 451572123 /nfs/dbraw/zinc/57/21/23/451572123.db2.gz HVJJOGLYWIKELP-AWEZNQCLSA-N 1 3 342.434 1.607 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@H](C)C1 ZINC000636910024 451599251 /nfs/dbraw/zinc/59/92/51/451599251.db2.gz YMJKIKVRBVKRCB-NVXWUHKLSA-N 1 3 348.491 1.824 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@H](C)C1 ZINC000636910024 451599258 /nfs/dbraw/zinc/59/92/58/451599258.db2.gz YMJKIKVRBVKRCB-NVXWUHKLSA-N 1 3 348.491 1.824 20 0 EDADHO CC[C@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640837174 451623134 /nfs/dbraw/zinc/62/31/34/451623134.db2.gz OBJASNLHUOLQOP-GOEBONIOSA-N 1 3 330.436 1.107 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000634998580 451641440 /nfs/dbraw/zinc/64/14/40/451641440.db2.gz HRQVLUGSSCLNQZ-QGZVFWFLSA-N 1 3 336.524 1.524 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638876113 451716579 /nfs/dbraw/zinc/71/65/79/451716579.db2.gz CFQCRZIWHHHDNP-LJCCNALRSA-N 1 3 345.487 1.595 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000638729540 451669015 /nfs/dbraw/zinc/66/90/15/451669015.db2.gz QPWRSVMBZBNJQU-UHFFFAOYSA-N 1 3 335.492 1.765 20 0 EDADHO CC[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC[C@@H]1[NH3+] ZINC000632962191 451670692 /nfs/dbraw/zinc/67/06/92/451670692.db2.gz YWBUYVIJGPATLS-CJNGLKHVSA-N 1 3 334.468 1.741 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000632962149 451671004 /nfs/dbraw/zinc/67/10/04/451671004.db2.gz YHARIOZOYLZUOV-BBRMVZONSA-N 1 3 332.452 1.366 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632962885 451671447 /nfs/dbraw/zinc/67/14/47/451671447.db2.gz PQURWCROABZXKH-XJKSGUPXSA-N 1 3 334.468 1.883 20 0 EDADHO CC[C@H](C)[NH2+][C@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccco1 ZINC000637139402 451739334 /nfs/dbraw/zinc/73/93/34/451739334.db2.gz JYQAULOTGBSQBQ-RRFJBIMHSA-N 1 3 338.452 1.075 20 0 EDADHO COCCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000637264083 451773865 /nfs/dbraw/zinc/77/38/65/451773865.db2.gz JXYOYXWNVARYTM-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO COCCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000637264083 451773867 /nfs/dbraw/zinc/77/38/67/451773867.db2.gz JXYOYXWNVARYTM-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000649131987 451866265 /nfs/dbraw/zinc/86/62/65/451866265.db2.gz IFJGPWBWADNQPN-QGZVFWFLSA-N 1 3 349.519 1.964 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CCO2 ZINC000649131987 451866270 /nfs/dbraw/zinc/86/62/70/451866270.db2.gz IFJGPWBWADNQPN-QGZVFWFLSA-N 1 3 349.519 1.964 20 0 EDADHO CCN1CCC[C@@H]1CNc1nccnc1NC[C@H]1CCC[N@@H+]1CC ZINC000649223589 451915605 /nfs/dbraw/zinc/91/56/05/451915605.db2.gz RGEHYOHCCFSLJT-HZPDHXFCSA-N 1 3 332.496 1.113 20 0 EDADHO CCN1CCC[C@@H]1CNc1nccnc1NC[C@H]1CCC[N@H+]1CC ZINC000649223589 451915610 /nfs/dbraw/zinc/91/56/10/451915610.db2.gz RGEHYOHCCFSLJT-HZPDHXFCSA-N 1 3 332.496 1.113 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000649311868 451989310 /nfs/dbraw/zinc/98/93/10/451989310.db2.gz XWGLHRLZOJSERJ-QAPCUYQASA-N 1 3 330.476 1.545 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000637666194 452008599 /nfs/dbraw/zinc/00/85/99/452008599.db2.gz XXMVDIFYIJBOPV-WMLDXEAASA-N 1 3 346.479 1.708 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649344608 452025062 /nfs/dbraw/zinc/02/50/62/452025062.db2.gz HDBWFPWFMHZHAN-FUHWJXTLSA-N 1 3 331.460 1.345 20 0 EDADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc(C(N)=O)c1 ZINC000653586723 452028083 /nfs/dbraw/zinc/02/80/83/452028083.db2.gz KGDWTGVMIFABSW-UHFFFAOYSA-N 1 3 335.452 1.051 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CCC4(C3)CC[NH+](C)CC4)nc12 ZINC000639758914 452098689 /nfs/dbraw/zinc/09/86/89/452098689.db2.gz ZPGHFEBRZKOQLM-UHFFFAOYSA-N 1 3 326.444 1.921 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637844024 452111172 /nfs/dbraw/zinc/11/11/72/452111172.db2.gz IWHFZVVAYKKNNM-CQSZACIVSA-N 1 3 347.463 1.407 20 0 EDADHO CN(C)C1(CNC(=O)NCC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000659460172 452312252 /nfs/dbraw/zinc/31/22/52/452312252.db2.gz ROKKXVFEFNWYKT-UHFFFAOYSA-N 1 3 328.460 1.137 20 0 EDADHO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000655513885 452323901 /nfs/dbraw/zinc/32/39/01/452323901.db2.gz HMMUCWYRHQSJOL-OLZOCXBDSA-N 1 3 330.354 1.299 20 0 EDADHO CC(C)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757529 452324437 /nfs/dbraw/zinc/32/44/37/452324437.db2.gz MWYTVNCBYYPPJP-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)C[C@@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757529 452324440 /nfs/dbraw/zinc/32/44/40/452324440.db2.gz MWYTVNCBYYPPJP-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661515330 452324457 /nfs/dbraw/zinc/32/44/57/452324457.db2.gz RBMRLDBLEOTHEE-HZPDHXFCSA-N 1 3 338.496 1.412 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661515330 452324468 /nfs/dbraw/zinc/32/44/68/452324468.db2.gz RBMRLDBLEOTHEE-HZPDHXFCSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CN1Cc1ccccc1 ZINC000659468534 452325686 /nfs/dbraw/zinc/32/56/86/452325686.db2.gz BPPYFTXTYMLLLZ-JGWYNZBZSA-N 1 3 328.460 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1ccsc1 ZINC000665760708 452331920 /nfs/dbraw/zinc/33/19/20/452331920.db2.gz NRAWFJRWCDQGNT-DZGCQCFKSA-N 1 3 342.509 1.353 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)c1ccsc1 ZINC000665760708 452331925 /nfs/dbraw/zinc/33/19/25/452331925.db2.gz NRAWFJRWCDQGNT-DZGCQCFKSA-N 1 3 342.509 1.353 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638054255 452334532 /nfs/dbraw/zinc/33/45/32/452334532.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638054255 452334539 /nfs/dbraw/zinc/33/45/39/452334539.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)CC(F)(F)F ZINC000665761012 452335976 /nfs/dbraw/zinc/33/59/76/452335976.db2.gz UZRSHFHORRPOHD-RYUDHWBXSA-N 1 3 326.407 1.899 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)CC(F)(F)F ZINC000665761012 452335984 /nfs/dbraw/zinc/33/59/84/452335984.db2.gz UZRSHFHORRPOHD-RYUDHWBXSA-N 1 3 326.407 1.899 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652141985 452335896 /nfs/dbraw/zinc/33/58/96/452335896.db2.gz FEUYSALBFKSLIJ-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000665762522 452340025 /nfs/dbraw/zinc/34/00/25/452340025.db2.gz HFOPNQRTJPTIAG-YQQAZPJKSA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000665762522 452340035 /nfs/dbraw/zinc/34/00/35/452340035.db2.gz HFOPNQRTJPTIAG-YQQAZPJKSA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000665763771 452347202 /nfs/dbraw/zinc/34/72/02/452347202.db2.gz LICXMKYNVXQXGC-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000665763771 452347207 /nfs/dbraw/zinc/34/72/07/452347207.db2.gz LICXMKYNVXQXGC-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[NH+](C)C ZINC000638060841 452351385 /nfs/dbraw/zinc/35/13/85/452351385.db2.gz SKGRZHICQGTLRC-QZTJIDSGSA-N 1 3 334.508 1.538 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCc2ccc(C[NH3+])cc2F)CCSC1 ZINC000652163696 452359798 /nfs/dbraw/zinc/35/97/98/452359798.db2.gz VCWDKAYWXUGRBQ-MRXNPFEDSA-N 1 3 340.468 1.521 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174514 452368642 /nfs/dbraw/zinc/36/86/42/452368642.db2.gz WOSZHNGYVNVYQD-TVFCKZIOSA-N 1 3 346.475 1.437 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CCC(C)CC1 ZINC000663631627 452371852 /nfs/dbraw/zinc/37/18/52/452371852.db2.gz ZHOCUMIPYWEGEI-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000659527442 452391356 /nfs/dbraw/zinc/39/13/56/452391356.db2.gz KYJAJELAPSTZOA-SFHVURJKSA-N 1 3 348.491 1.181 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545329 452403038 /nfs/dbraw/zinc/40/30/38/452403038.db2.gz ZSKNWVIVWVHUHV-OLMNPRSZSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659554378 452411950 /nfs/dbraw/zinc/41/19/50/452411950.db2.gz FXZDQMZGNPOKFS-VBQJREDUSA-N 1 3 334.464 1.178 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)CN1 ZINC000659589515 452446338 /nfs/dbraw/zinc/44/63/38/452446338.db2.gz RIEAPPDJECGHHJ-DLTLXFJOSA-N 1 3 334.439 1.663 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485107 452454997 /nfs/dbraw/zinc/45/49/97/452454997.db2.gz SHMNCENQUUKVAR-APWZRJJASA-N 1 3 344.503 1.438 20 0 EDADHO CN(c1ccccc1CNC[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC000657712683 452463689 /nfs/dbraw/zinc/46/36/89/452463689.db2.gz YYTTVZSLHYNWQK-INIZCTEOSA-N 1 3 330.476 1.585 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659611717 452470300 /nfs/dbraw/zinc/47/03/00/452470300.db2.gz UAOQMNIFJDSEKF-GVDBMIGSSA-N 1 3 338.496 1.399 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000652288625 452471592 /nfs/dbraw/zinc/47/15/92/452471592.db2.gz RHNBFYQUJXGHEM-MRXNPFEDSA-N 1 3 347.507 1.231 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659621400 452479214 /nfs/dbraw/zinc/47/92/14/452479214.db2.gz DMYQRIFUNHEBEV-BBWFWOEESA-N 1 3 339.528 1.027 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506210 /nfs/dbraw/zinc/50/62/10/452506210.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506220 /nfs/dbraw/zinc/50/62/20/452506220.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652341641 452511813 /nfs/dbraw/zinc/51/18/13/452511813.db2.gz AHEJDYCNXYVPQG-MRXNPFEDSA-N 1 3 341.377 1.833 20 0 EDADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347408 452521803 /nfs/dbraw/zinc/52/18/03/452521803.db2.gz AHTXTUBZFCVOGZ-NOCIGQNYSA-N 1 3 349.519 1.994 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346648 452522107 /nfs/dbraw/zinc/52/21/07/452522107.db2.gz CQFQPHIFPSFBOJ-VSZNYVQBSA-N 1 3 337.508 1.996 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347332 452524128 /nfs/dbraw/zinc/52/41/28/452524128.db2.gz YWNMAXJFOBYNOO-SMLCLMEVSA-N 1 3 325.497 1.898 20 0 EDADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000647791579 452524854 /nfs/dbraw/zinc/52/48/54/452524854.db2.gz HVUHYEJRPMIGRE-JJXSEGSLSA-N 1 3 329.444 1.778 20 0 EDADHO COc1ccc([C@H](CCO)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723818 452537660 /nfs/dbraw/zinc/53/76/60/452537660.db2.gz QATRKTNHTJKABU-HKUYNNGSSA-N 1 3 334.460 1.962 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(CCOC)CC1 ZINC000663826312 452552976 /nfs/dbraw/zinc/55/29/76/452552976.db2.gz QTTLNZTVYAWBFB-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(CCOC)CC1 ZINC000663826312 452552985 /nfs/dbraw/zinc/55/29/85/452552985.db2.gz QTTLNZTVYAWBFB-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO Cc1ccc(CN2CCCN(C(=O)CN(C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580544 /nfs/dbraw/zinc/58/05/44/452580544.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 1 3 332.492 1.310 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000666184138 452667915 /nfs/dbraw/zinc/66/79/15/452667915.db2.gz WXZOJJLRHPNJSC-HNNXBMFYSA-N 1 3 336.484 1.687 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655915473 452675514 /nfs/dbraw/zinc/67/55/14/452675514.db2.gz VHPHUTSVXGDUCM-QWHCGFSZSA-N 1 3 332.370 1.787 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000655921279 452684267 /nfs/dbraw/zinc/68/42/67/452684267.db2.gz NEIPATVCWVQPAG-MRVWCRGKSA-N 1 3 344.381 1.838 20 0 EDADHO NC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926844 452693640 /nfs/dbraw/zinc/69/36/40/452693640.db2.gz GTRIFASDKRXPPB-QWHCGFSZSA-N 1 3 336.402 1.972 20 0 EDADHO NC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926844 452693649 /nfs/dbraw/zinc/69/36/49/452693649.db2.gz GTRIFASDKRXPPB-QWHCGFSZSA-N 1 3 336.402 1.972 20 0 EDADHO NC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926842 452693807 /nfs/dbraw/zinc/69/38/07/452693807.db2.gz GTRIFASDKRXPPB-CHWSQXEVSA-N 1 3 336.402 1.972 20 0 EDADHO NC[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926842 452693813 /nfs/dbraw/zinc/69/38/13/452693813.db2.gz GTRIFASDKRXPPB-CHWSQXEVSA-N 1 3 336.402 1.972 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000661954670 452715196 /nfs/dbraw/zinc/71/51/96/452715196.db2.gz YIAKRQFIHQNGPB-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000661954670 452715202 /nfs/dbraw/zinc/71/52/02/452715202.db2.gz YIAKRQFIHQNGPB-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000647983786 452728109 /nfs/dbraw/zinc/72/81/09/452728109.db2.gz FWUOMCISHCZVIN-QAPCUYQASA-N 1 3 344.459 1.960 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661978967 452732444 /nfs/dbraw/zinc/73/24/44/452732444.db2.gz QZVAILDNNHTQIU-QGZVFWFLSA-N 1 3 338.496 1.223 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973865 452757099 /nfs/dbraw/zinc/75/70/99/452757099.db2.gz JSZOTWSJCVIHJB-SJORKVTESA-N 1 3 338.496 1.543 20 0 EDADHO CCn1c2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2[nH]c1=O ZINC000654732652 452853694 /nfs/dbraw/zinc/85/36/94/452853694.db2.gz CYPXXAAFUKQLNC-UHFFFAOYSA-N 1 3 347.463 1.327 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648160077 452869118 /nfs/dbraw/zinc/86/91/18/452869118.db2.gz WJDOOIRCNXJDNF-RCCFBDPRSA-N 1 3 330.476 1.737 20 0 EDADHO OC[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000666476338 452897362 /nfs/dbraw/zinc/89/73/62/452897362.db2.gz HQBQZKCTIYWICY-PKOBYXMFSA-N 1 3 334.460 1.336 20 0 EDADHO CCn1cc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC000654797389 452930283 /nfs/dbraw/zinc/93/02/83/452930283.db2.gz PZOZCBDOTKQPKO-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCCCC1 ZINC000660056954 452971425 /nfs/dbraw/zinc/97/14/25/452971425.db2.gz MFNDNATYTNJUPO-SFHVURJKSA-N 1 3 339.524 1.972 20 0 EDADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)nc1 ZINC000662259783 452987329 /nfs/dbraw/zinc/98/73/29/452987329.db2.gz BHZTUCBMDBXPGA-CVEARBPZSA-N 1 3 344.459 1.562 20 0 EDADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)nc1 ZINC000662259783 452987337 /nfs/dbraw/zinc/98/73/37/452987337.db2.gz BHZTUCBMDBXPGA-CVEARBPZSA-N 1 3 344.459 1.562 20 0 EDADHO O[C@@H]1CC[N@H+](Cc2cccc(NC3CCN([C@@H]4CCOC4)CC3)c2)C1 ZINC000656260488 452994946 /nfs/dbraw/zinc/99/49/46/452994946.db2.gz PZRDOKQBLYYILB-WOJBJXKFSA-N 1 3 345.487 1.918 20 0 EDADHO O[C@@H]1CC[N@@H+](Cc2cccc(NC3CCN([C@@H]4CCOC4)CC3)c2)C1 ZINC000656260488 452994952 /nfs/dbraw/zinc/99/49/52/452994952.db2.gz PZRDOKQBLYYILB-WOJBJXKFSA-N 1 3 345.487 1.918 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@]4(CCOC4)C3)CC2)CC1 ZINC000654884194 453003715 /nfs/dbraw/zinc/00/37/15/453003715.db2.gz ZJYWMXFMVQJMFR-HXUWFJFHSA-N 1 3 349.519 1.822 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327065 453045693 /nfs/dbraw/zinc/04/56/93/453045693.db2.gz HWFSRCWVZLCHJD-LWYYNNOASA-N 1 3 330.472 1.810 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327065 453045694 /nfs/dbraw/zinc/04/56/94/453045694.db2.gz HWFSRCWVZLCHJD-LWYYNNOASA-N 1 3 330.472 1.810 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686184 453064349 /nfs/dbraw/zinc/06/43/49/453064349.db2.gz GCJGMQDOOWOLDT-CABCVRRESA-N 1 3 345.443 1.561 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)CC1 ZINC000646086880 453096430 /nfs/dbraw/zinc/09/64/30/453096430.db2.gz UXAXZDSYIYMXFT-GOSISDBHSA-N 1 3 337.508 1.530 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662445650 453152286 /nfs/dbraw/zinc/15/22/86/453152286.db2.gz UHQQWSAOAYRYLL-CYBMUJFWSA-N 1 3 330.436 1.096 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660251222 453156384 /nfs/dbraw/zinc/15/63/84/453156384.db2.gz FQALZEDEOGWSNB-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCNC3)C1 ZINC000666872581 453203457 /nfs/dbraw/zinc/20/34/57/453203457.db2.gz ZEXKFZWYFODMNY-CABCVRRESA-N 1 3 344.459 1.260 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662490834 453208764 /nfs/dbraw/zinc/20/87/64/453208764.db2.gz LAIWBAWTGZQERK-UHFFFAOYSA-N 1 3 331.460 1.863 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666974481 453292390 /nfs/dbraw/zinc/29/23/90/453292390.db2.gz RGUBUASVCYCPFS-HYVNUMGLSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666974481 453292395 /nfs/dbraw/zinc/29/23/95/453292395.db2.gz RGUBUASVCYCPFS-HYVNUMGLSA-N 1 3 338.496 1.221 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662573936 453300570 /nfs/dbraw/zinc/30/05/70/453300570.db2.gz IDWJAZRZJBZAOT-QWFCFKBJSA-N 1 3 343.471 1.966 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000653114000 453302171 /nfs/dbraw/zinc/30/21/71/453302171.db2.gz VLALXZUBUHLJLS-MRXNPFEDSA-N 1 3 338.521 1.355 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662576429 453303783 /nfs/dbraw/zinc/30/37/83/453303783.db2.gz XQMPGZKZHXGFSZ-PBHICJAKSA-N 1 3 349.500 1.752 20 0 EDADHO CN1CCC[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[C@H]1c1cccs1 ZINC000653121794 453312624 /nfs/dbraw/zinc/31/26/24/453312624.db2.gz BUYKCPKTMBWJRE-DZKIICNBSA-N 1 3 338.521 1.526 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000653175947 453365931 /nfs/dbraw/zinc/36/59/31/453365931.db2.gz GUGRLKRLPBUVEG-HDMKZQKVSA-N 1 3 325.497 1.613 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000653175947 453365937 /nfs/dbraw/zinc/36/59/37/453365937.db2.gz GUGRLKRLPBUVEG-HDMKZQKVSA-N 1 3 325.497 1.613 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000658780594 453389086 /nfs/dbraw/zinc/38/90/86/453389086.db2.gz ZHKBDPQCBOXUGX-INIZCTEOSA-N 1 3 346.475 1.596 20 0 EDADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000662679497 453400678 /nfs/dbraw/zinc/40/06/78/453400678.db2.gz PEYJKQIXGMZFMK-KBPBESRZSA-N 1 3 334.468 1.195 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1(C)C ZINC000662686941 453408516 /nfs/dbraw/zinc/40/85/16/453408516.db2.gz RPTBWUZCHJQFRB-GPMSIDNRSA-N 1 3 347.459 1.819 20 0 EDADHO CCN1CC[C@@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743869 453470941 /nfs/dbraw/zinc/47/09/41/453470941.db2.gz ABUNHHNXPFKDDO-CZUORRHYSA-N 1 3 334.464 1.944 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662760599 453498388 /nfs/dbraw/zinc/49/83/88/453498388.db2.gz XXZOBABYCMAYJL-KRWDZBQOSA-N 1 3 342.487 1.184 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662760599 453498394 /nfs/dbraw/zinc/49/83/94/453498394.db2.gz XXZOBABYCMAYJL-KRWDZBQOSA-N 1 3 342.487 1.184 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662779051 453515330 /nfs/dbraw/zinc/51/53/30/453515330.db2.gz HSSISXAUINSBDA-CQSZACIVSA-N 1 3 329.322 1.649 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662823029 453552596 /nfs/dbraw/zinc/55/25/96/453552596.db2.gz NIRHPEGAPUROSF-KRWDZBQOSA-N 1 3 340.427 1.840 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660740633 453557047 /nfs/dbraw/zinc/55/70/47/453557047.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660740633 453557054 /nfs/dbraw/zinc/55/70/54/453557054.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000658973453 453557981 /nfs/dbraw/zinc/55/79/81/453557981.db2.gz QUNFDNPKJJHBLK-MJGOQNOKSA-N 1 3 344.503 1.785 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CCO1 ZINC000659021626 453584483 /nfs/dbraw/zinc/58/44/83/453584483.db2.gz HHAPWRKBCDUKQH-KRWDZBQOSA-N 1 3 332.448 1.864 20 0 EDADHO CC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659028848 453588368 /nfs/dbraw/zinc/58/83/68/453588368.db2.gz QOXKBGODTAFQRZ-KRWDZBQOSA-N 1 3 332.448 1.953 20 0 EDADHO C[C@@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000660828405 453591451 /nfs/dbraw/zinc/59/14/51/453591451.db2.gz CBWJLYLFHDETSJ-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)ccn1 ZINC000665240140 453620229 /nfs/dbraw/zinc/62/02/29/453620229.db2.gz DJLBTQPAGUKUHF-WOJBJXKFSA-N 1 3 344.503 1.650 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661210367 453760335 /nfs/dbraw/zinc/76/03/35/453760335.db2.gz LQNLBSVTQAPKTN-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661210367 453760338 /nfs/dbraw/zinc/76/03/38/453760338.db2.gz LQNLBSVTQAPKTN-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCCCC1 ZINC000665638756 453777933 /nfs/dbraw/zinc/77/79/33/453777933.db2.gz AUQARNIGAQGLPY-DOTOQJQBSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCCCC1 ZINC000665638756 453777936 /nfs/dbraw/zinc/77/79/36/453777936.db2.gz AUQARNIGAQGLPY-DOTOQJQBSA-N 1 3 342.528 1.499 20 0 EDADHO CCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665640395 453778350 /nfs/dbraw/zinc/77/83/50/453778350.db2.gz TXFCROBMXOWNLW-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665640395 453778354 /nfs/dbraw/zinc/77/83/54/453778354.db2.gz TXFCROBMXOWNLW-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661316903 453791125 /nfs/dbraw/zinc/79/11/25/453791125.db2.gz YMOICXRHUNJWIG-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661316903 453791126 /nfs/dbraw/zinc/79/11/26/453791126.db2.gz YMOICXRHUNJWIG-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CN(c1ccccc1)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499983 453811053 /nfs/dbraw/zinc/81/10/53/453811053.db2.gz HOKNDLFKNVIXKB-AEFFLSMTSA-N 1 3 330.476 1.394 20 0 EDADHO CN(c1ccccc1)[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499983 453811056 /nfs/dbraw/zinc/81/10/56/453811056.db2.gz HOKNDLFKNVIXKB-AEFFLSMTSA-N 1 3 330.476 1.394 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc(OC)c2F)CC1 ZINC000663505848 453811826 /nfs/dbraw/zinc/81/18/26/453811826.db2.gz NTLMQEBZPUMTIE-UHFFFAOYSA-N 1 3 337.439 1.915 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662802319 486661743 /nfs/dbraw/zinc/66/17/43/486661743.db2.gz NLWJCNJNKNXRNS-QZTJIDSGSA-N 1 3 346.475 1.519 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cc(C4CC4)no3)CC2)CC1 ZINC000667641923 486893607 /nfs/dbraw/zinc/89/36/07/486893607.db2.gz IKWTVTYBFQTSGD-UHFFFAOYSA-N 1 3 346.475 1.769 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc2c[nH]nc2c1 ZINC000673070088 486901619 /nfs/dbraw/zinc/90/16/19/486901619.db2.gz RCMBZFPBDMTJRV-UHFFFAOYSA-N 1 3 346.479 1.240 20 0 EDADHO COC1CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000667741441 486941887 /nfs/dbraw/zinc/94/18/87/486941887.db2.gz QFKHBIGIZVIVMR-UHFFFAOYSA-N 1 3 332.448 1.565 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000667795444 486968688 /nfs/dbraw/zinc/96/86/88/486968688.db2.gz CRGMFHIDAIAPKK-INIZCTEOSA-N 1 3 329.448 1.819 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667915025 487019310 /nfs/dbraw/zinc/01/93/10/487019310.db2.gz YAJAJWVFRAGKAP-GBESFXJTSA-N 1 3 345.487 1.433 20 0 EDADHO C[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000673979348 487175133 /nfs/dbraw/zinc/17/51/33/487175133.db2.gz FYBOVWZZKQONMT-CJNGLKHVSA-N 1 3 328.526 1.453 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)COCC2 ZINC000682231311 487327306 /nfs/dbraw/zinc/32/73/06/487327306.db2.gz BEWFLTYDXLUFKO-UHFFFAOYSA-N 1 3 335.452 1.111 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN(CCOC)CC1 ZINC000675183354 487386057 /nfs/dbraw/zinc/38/60/57/487386057.db2.gz ZNPAZRCVSYSHJR-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1F ZINC000679290626 487409730 /nfs/dbraw/zinc/40/97/30/487409730.db2.gz XRVQPPLBEBIKQK-WMLDXEAASA-N 1 3 340.487 1.935 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[C@H]1[NH3+] ZINC000669400976 486065305 /nfs/dbraw/zinc/06/53/05/486065305.db2.gz SUTLCPDNVHTLPP-KZNAEPCWSA-N 1 3 332.492 1.928 20 0 EDADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000090574452 491199546 /nfs/dbraw/zinc/19/95/46/491199546.db2.gz OOBMSKOHIFUILD-FCEWJHQRSA-N 1 3 335.492 1.997 20 0 EDADHO CCCN1CCN(c2ccccc2CNC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000131467169 491212910 /nfs/dbraw/zinc/21/29/10/491212910.db2.gz GTWSGABXCYWLAZ-HXUWFJFHSA-N 1 3 348.535 1.621 20 0 EDADHO COC1CCN(CCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000080073370 491170527 /nfs/dbraw/zinc/17/05/27/491170527.db2.gz RHZPMTNGQAXYNH-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO COC1CCN(CCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000080073370 491170531 /nfs/dbraw/zinc/17/05/31/491170531.db2.gz RHZPMTNGQAXYNH-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000340491515 535639052 /nfs/dbraw/zinc/63/90/52/535639052.db2.gz QVHLRGKHHYRCSE-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339739704 535639874 /nfs/dbraw/zinc/63/98/74/535639874.db2.gz FMDZHOOOIDTQQU-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339619237 535668126 /nfs/dbraw/zinc/66/81/26/535668126.db2.gz PYCAEVIDRIRECO-OAHLLOKOSA-N 1 3 340.512 1.214 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000261744755 535670896 /nfs/dbraw/zinc/67/08/96/535670896.db2.gz UBMXEXSXKGIHCX-QGZVFWFLSA-N 1 3 333.476 1.941 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000345947572 535744880 /nfs/dbraw/zinc/74/48/80/535744880.db2.gz DGNLQQICNUKOSB-UHFFFAOYSA-N 1 3 348.491 1.137 20 0 EDADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112671 536755550 /nfs/dbraw/zinc/75/55/50/536755550.db2.gz RNUKXXLWGYMIDL-AWEZNQCLSA-N 1 3 337.489 1.704 20 0 EDADHO COc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793188 536769744 /nfs/dbraw/zinc/76/97/44/536769744.db2.gz ZDNSYDRCQGCAIM-AWEZNQCLSA-N 1 3 341.402 1.776 20 0 EDADHO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000736851855 579026476 /nfs/dbraw/zinc/02/64/76/579026476.db2.gz LZAKHQYSNDAKGE-INIZCTEOSA-N 1 3 341.463 1.125 20 0 EDADHO C[C@@H]1CN(CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551517 580059136 /nfs/dbraw/zinc/05/91/36/580059136.db2.gz RAOCAGXMKORVBM-OAHLLOKOSA-N 1 3 342.553 1.293 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000757228738 579965938 /nfs/dbraw/zinc/96/59/38/579965938.db2.gz DPCKJDBZZUZQIJ-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000757228738 579965939 /nfs/dbraw/zinc/96/59/39/579965939.db2.gz DPCKJDBZZUZQIJ-OAHLLOKOSA-N 1 3 336.484 1.544 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121176 580093428 /nfs/dbraw/zinc/09/34/28/580093428.db2.gz LSFHAOSBZQMSHN-SFHVURJKSA-N 1 3 340.512 1.399 20 0 EDADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792409 580679403 /nfs/dbraw/zinc/67/94/03/580679403.db2.gz IFCOPAMNKBYVQS-HNNXBMFYSA-N 1 3 334.464 1.835 20 0 EDADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792409 580679404 /nfs/dbraw/zinc/67/94/04/580679404.db2.gz IFCOPAMNKBYVQS-HNNXBMFYSA-N 1 3 334.464 1.835 20 0 EDADHO CCN1CCN(Cc2ccccc2CNc2cc[nH+]cc2CO)CC1 ZINC000891807056 590629650 /nfs/dbraw/zinc/62/96/50/590629650.db2.gz IZTPOIFAIKDTJK-UHFFFAOYSA-N 1 3 340.471 1.745 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000891818800 590636170 /nfs/dbraw/zinc/63/61/70/590636170.db2.gz YKDYNLDMGKOEEK-JQHSSLGASA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000891864100 590661556 /nfs/dbraw/zinc/66/15/56/590661556.db2.gz GIUBXFLSLOIBLZ-JOTXSSJUSA-N 1 3 348.413 1.923 20 0 EDADHO CC(C)[NH+]1CCC(O)(CN[C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893106340 590664758 /nfs/dbraw/zinc/66/47/58/590664758.db2.gz PHOZZGYJFKXVNU-CABCVRRESA-N 1 3 330.444 1.445 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095941 590795526 /nfs/dbraw/zinc/79/55/26/590795526.db2.gz ZBWKZMULPBZVLU-SZMVWBNQSA-N 1 3 330.476 1.867 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC[C@H]1NCCc2ccccc21 ZINC000892120884 590810341 /nfs/dbraw/zinc/81/03/41/590810341.db2.gz XGNWIQFAYMDWQL-UKRRQHHQSA-N 1 3 338.402 1.417 20 0 EDADHO [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CNCCC1(F)F ZINC000892156686 590828481 /nfs/dbraw/zinc/82/84/81/590828481.db2.gz RCSYNFLBFWQBFI-ZDUSSCGKSA-N 1 3 346.809 1.808 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892169144 590840342 /nfs/dbraw/zinc/84/03/42/590840342.db2.gz INFKVSKWGXWWLL-CVEARBPZSA-N 1 3 326.485 1.114 20 0 EDADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1)C1CCCC1 ZINC000892184029 590852648 /nfs/dbraw/zinc/85/26/48/590852648.db2.gz NTCDNIQXNLZBBW-USXIJHARSA-N 1 3 338.496 1.304 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000892410213 591016745 /nfs/dbraw/zinc/01/67/45/591016745.db2.gz QBQNWHJQQZZZOH-BZSNNMDCSA-N 1 3 330.476 1.943 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)N(C)C)cc1 ZINC000892410213 591016750 /nfs/dbraw/zinc/01/67/50/591016750.db2.gz QBQNWHJQQZZZOH-BZSNNMDCSA-N 1 3 330.476 1.943 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000892529763 591060273 /nfs/dbraw/zinc/06/02/73/591060273.db2.gz AJFKNEGJWHQBPE-MSOLQXFVSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892529936 591060372 /nfs/dbraw/zinc/06/03/72/591060372.db2.gz GBKIKSHAMMQXFL-QZTJIDSGSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892609859 591093941 /nfs/dbraw/zinc/09/39/41/591093941.db2.gz BZVDDZXYXAMHRO-ZBFHGGJFSA-N 1 3 340.489 1.540 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000891514617 591104138 /nfs/dbraw/zinc/10/41/38/591104138.db2.gz VITCTKCFGKAMCM-HOCLYGCPSA-N 1 3 334.464 1.301 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536611 591113648 /nfs/dbraw/zinc/11/36/48/591113648.db2.gz DNCDKJVJUJQUQK-OAHLLOKOSA-N 1 3 326.485 1.400 20 0 EDADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876990 591125534 /nfs/dbraw/zinc/12/55/34/591125534.db2.gz DHGCYDXXIQLEOY-XMTFNYHQSA-N 1 3 328.460 1.635 20 0 EDADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876990 591125537 /nfs/dbraw/zinc/12/55/37/591125537.db2.gz DHGCYDXXIQLEOY-XMTFNYHQSA-N 1 3 328.460 1.635 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCC23CCN(C)CC3)CC1 ZINC000892686764 591130238 /nfs/dbraw/zinc/13/02/38/591130238.db2.gz NISNFTUHBAKTSQ-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000891597373 591141951 /nfs/dbraw/zinc/14/19/51/591141951.db2.gz NSZYWWWIRLLSQU-ROUUACIJSA-N 1 3 342.487 1.622 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1C ZINC000892780609 591172992 /nfs/dbraw/zinc/17/29/92/591172992.db2.gz SMIJMCKJRUIRCV-OWCLPIDISA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891747261 591208828 /nfs/dbraw/zinc/20/88/28/591208828.db2.gz MKMDXGSZEXBTQE-IYBDPMFKSA-N 1 3 329.448 1.444 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000892883751 591216312 /nfs/dbraw/zinc/21/63/12/591216312.db2.gz FCLDHHSYKUWSKF-HNNXBMFYSA-N 1 3 340.512 1.659 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000892883751 591216313 /nfs/dbraw/zinc/21/63/13/591216313.db2.gz FCLDHHSYKUWSKF-HNNXBMFYSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892944850 591233367 /nfs/dbraw/zinc/23/33/67/591233367.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 1 3 338.496 1.101 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000892944850 591233370 /nfs/dbraw/zinc/23/33/70/591233370.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 1 3 338.496 1.101 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000897454076 591459668 /nfs/dbraw/zinc/45/96/68/591459668.db2.gz ACTFOLQVVRSLTB-MAUKXSAKSA-N 1 3 348.491 1.939 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000897454076 591459671 /nfs/dbraw/zinc/45/96/71/591459671.db2.gz ACTFOLQVVRSLTB-MAUKXSAKSA-N 1 3 348.491 1.939 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000897518149 591520016 /nfs/dbraw/zinc/52/00/16/591520016.db2.gz DDSGKPMRLDIRCZ-OAHLLOKOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000900106621 591909412 /nfs/dbraw/zinc/90/94/12/591909412.db2.gz PHPAEOUMQHZYPE-ICSRJNTNSA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000900106621 591909415 /nfs/dbraw/zinc/90/94/15/591909415.db2.gz PHPAEOUMQHZYPE-ICSRJNTNSA-N 1 3 345.487 1.787 20 0 EDADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccn1 ZINC000902889248 592080027 /nfs/dbraw/zinc/08/00/27/592080027.db2.gz FIIVLZZZYSSDIV-AEXBHSQCSA-N 1 3 331.460 1.925 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900725350 592105488 /nfs/dbraw/zinc/10/54/88/592105488.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725350 592105491 /nfs/dbraw/zinc/10/54/91/592105491.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903105328 592120856 /nfs/dbraw/zinc/12/08/56/592120856.db2.gz BADQFXKLCKHJAV-UXHICEINSA-N 1 3 346.471 1.681 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112778 592122898 /nfs/dbraw/zinc/12/28/98/592122898.db2.gz QKDHBTAGSZOGDD-NPAJJYGASA-N 1 3 334.504 1.869 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N(CCN2CCCC2)c2ccccc2)C1 ZINC000900792416 592125351 /nfs/dbraw/zinc/12/53/51/592125351.db2.gz GCJDMCCYNMFHSX-HXUWFJFHSA-N 1 3 345.487 1.962 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N(CCN2CCCC2)c2ccccc2)C1 ZINC000900792416 592125353 /nfs/dbraw/zinc/12/53/53/592125353.db2.gz GCJDMCCYNMFHSX-HXUWFJFHSA-N 1 3 345.487 1.962 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000903441275 592170313 /nfs/dbraw/zinc/17/03/13/592170313.db2.gz KVLSGAMIQQHYTJ-GOEBONIOSA-N 1 3 334.439 1.509 20 0 EDADHO CN(C(=O)CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1)C1CCCCC1 ZINC000903442609 592172287 /nfs/dbraw/zinc/17/22/87/592172287.db2.gz UFUWBQOEMXYQTL-SJORKVTESA-N 1 3 336.524 1.523 20 0 EDADHO CC[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903513235 592191676 /nfs/dbraw/zinc/19/16/76/592191676.db2.gz ZDKIFSZQCQJTTE-QRQLOZEOSA-N 1 3 348.535 1.678 20 0 EDADHO CC[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903513235 592191678 /nfs/dbraw/zinc/19/16/78/592191678.db2.gz ZDKIFSZQCQJTTE-QRQLOZEOSA-N 1 3 348.535 1.678 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906648287 592232919 /nfs/dbraw/zinc/23/29/19/592232919.db2.gz INKQDMRDIXULIN-CYBMUJFWSA-N 1 3 334.464 1.665 20 0 EDADHO COc1ccc(-n2ccc(CNC3CCN(CC[NH3+])CC3)n2)cc1 ZINC000904367980 592239309 /nfs/dbraw/zinc/23/93/09/592239309.db2.gz LUFKQMZXBRVKNT-UHFFFAOYSA-N 1 3 329.448 1.394 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC3CCN(CC[NH3+])CC3)C2=O)cc1 ZINC000904369620 592240437 /nfs/dbraw/zinc/24/04/37/592240437.db2.gz ZQXGCNDAEQXJCB-GOSISDBHSA-N 1 3 330.476 1.109 20 0 EDADHO CN1c2ccc(CN3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2CCC1=O ZINC000904392909 592242838 /nfs/dbraw/zinc/24/28/38/592242838.db2.gz CYYMLFGSGZOAHJ-QGZVFWFLSA-N 1 3 343.471 1.925 20 0 EDADHO C[C@@]1(CN2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378935 592245501 /nfs/dbraw/zinc/24/55/01/592245501.db2.gz MWGFNTZATSUOJN-QFBILLFUSA-N 1 3 346.523 1.388 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000906678977 592260108 /nfs/dbraw/zinc/26/01/08/592260108.db2.gz RDMOTKZYWFIIKG-OAHLLOKOSA-N 1 3 344.459 1.322 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906678977 592260112 /nfs/dbraw/zinc/26/01/12/592260112.db2.gz RDMOTKZYWFIIKG-OAHLLOKOSA-N 1 3 344.459 1.322 20 0 EDADHO Cc1ccccc1CN1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732966 592289463 /nfs/dbraw/zinc/28/94/63/592289463.db2.gz IMTGYOYYFFMJQC-WOJBJXKFSA-N 1 3 329.488 1.881 20 0 EDADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753573 592297135 /nfs/dbraw/zinc/29/71/35/592297135.db2.gz WKSMYIHECWNQNR-RLFYNMQTSA-N 1 3 331.464 1.630 20 0 EDADHO COCCCOC1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734464 592297570 /nfs/dbraw/zinc/29/75/70/592297570.db2.gz RHHZLKSJEDLSJT-KRWDZBQOSA-N 1 3 326.481 1.663 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904644615 592303396 /nfs/dbraw/zinc/30/33/96/592303396.db2.gz QMCNUDTWPHPKIQ-UHFFFAOYSA-N 1 3 333.480 1.683 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903813444 592330429 /nfs/dbraw/zinc/33/04/29/592330429.db2.gz GKAIHFRMAMQEMY-CVEARBPZSA-N 1 3 343.537 1.642 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C2(CN)CCC2)C1 ZINC000903813444 592330433 /nfs/dbraw/zinc/33/04/33/592330433.db2.gz GKAIHFRMAMQEMY-CVEARBPZSA-N 1 3 343.537 1.642 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C2(CN)CCC2)C1 ZINC000903813444 592330437 /nfs/dbraw/zinc/33/04/37/592330437.db2.gz GKAIHFRMAMQEMY-CVEARBPZSA-N 1 3 343.537 1.642 20 0 EDADHO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2C2(CN)CCC2)C1=O ZINC000903813535 592331184 /nfs/dbraw/zinc/33/11/84/592331184.db2.gz GNZJOBAZKCIWIJ-AWEZNQCLSA-N 1 3 336.480 1.690 20 0 EDADHO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2C2(CN)CCC2)C1=O ZINC000903813535 592331191 /nfs/dbraw/zinc/33/11/91/592331191.db2.gz GNZJOBAZKCIWIJ-AWEZNQCLSA-N 1 3 336.480 1.690 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000906803922 592352036 /nfs/dbraw/zinc/35/20/36/592352036.db2.gz KCNHRIIOWACNFX-QKPAOTATSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@H](C(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000906803922 592352039 /nfs/dbraw/zinc/35/20/39/592352039.db2.gz KCNHRIIOWACNFX-QKPAOTATSA-N 1 3 340.512 1.068 20 0 EDADHO Cn1ncc2c1ncnc2N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879081 592360234 /nfs/dbraw/zinc/36/02/34/592360234.db2.gz RTSHHMUHGIOUGK-GOOCMWNKSA-N 1 3 341.463 1.016 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886041 592364079 /nfs/dbraw/zinc/36/40/79/592364079.db2.gz QUKPHSBVLVCDMT-IRXDYDNUSA-N 1 3 347.507 1.084 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057926 592395183 /nfs/dbraw/zinc/39/51/83/592395183.db2.gz BOJSEKLUTAYDJE-PBHICJAKSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057926 592395189 /nfs/dbraw/zinc/39/51/89/592395189.db2.gz BOJSEKLUTAYDJE-PBHICJAKSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057926 592395193 /nfs/dbraw/zinc/39/51/93/592395193.db2.gz BOJSEKLUTAYDJE-PBHICJAKSA-N 1 3 329.444 1.982 20 0 EDADHO CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000908238676 592400004 /nfs/dbraw/zinc/40/00/04/592400004.db2.gz BMGIXPPNAXSREH-IBGZPJMESA-N 1 3 339.524 1.948 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906887975 592405839 /nfs/dbraw/zinc/40/58/39/592405839.db2.gz AZGKIQXARHHTTD-INIZCTEOSA-N 1 3 339.524 1.802 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986708 592406522 /nfs/dbraw/zinc/40/65/22/592406522.db2.gz PXJQNZNIEQRRBQ-KYJSFNMBSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986708 592406524 /nfs/dbraw/zinc/40/65/24/592406524.db2.gz PXJQNZNIEQRRBQ-KYJSFNMBSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986708 592406525 /nfs/dbraw/zinc/40/65/25/592406525.db2.gz PXJQNZNIEQRRBQ-KYJSFNMBSA-N 1 3 349.479 1.056 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1(C)C ZINC000905245401 592475472 /nfs/dbraw/zinc/47/54/72/592475472.db2.gz DAGYVOOCUCGONP-RBUKOAKNSA-N 1 3 349.519 1.477 20 0 EDADHO [NH3+]Cc1ccc(-c2noc(-c3ccnc(N4CCNCC4)c3)n2)cc1 ZINC000905306489 592499731 /nfs/dbraw/zinc/49/97/31/592499731.db2.gz AYOMWFMTXSACBP-UHFFFAOYSA-N 1 3 336.399 1.667 20 0 EDADHO C[C@](O)(CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(F)F ZINC000905365988 592516744 /nfs/dbraw/zinc/51/67/44/592516744.db2.gz DWTTZTXCHNMWJV-RDJZCZTQSA-N 1 3 328.403 1.749 20 0 EDADHO C[C@](O)(CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)C(F)F ZINC000905365988 592516745 /nfs/dbraw/zinc/51/67/45/592516745.db2.gz DWTTZTXCHNMWJV-RDJZCZTQSA-N 1 3 328.403 1.749 20 0 EDADHO CN(C[C@@H](O)CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000905437758 592534330 /nfs/dbraw/zinc/53/43/30/592534330.db2.gz HTQHCPGWIBRWJG-PMACEKPBSA-N 1 3 344.503 1.838 20 0 EDADHO CN(C[C@@H](O)CNc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000905437758 592534332 /nfs/dbraw/zinc/53/43/32/592534332.db2.gz HTQHCPGWIBRWJG-PMACEKPBSA-N 1 3 344.503 1.838 20 0 EDADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285855 592584727 /nfs/dbraw/zinc/58/47/27/592584727.db2.gz OUGICXJNDSAHFZ-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285855 592584728 /nfs/dbraw/zinc/58/47/28/592584728.db2.gz OUGICXJNDSAHFZ-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218023 592760216 /nfs/dbraw/zinc/76/02/16/592760216.db2.gz DPNZVWZMBCXLII-INIZCTEOSA-N 1 3 339.443 1.787 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223050 592761563 /nfs/dbraw/zinc/76/15/63/592761563.db2.gz PRUOFZVQFTWTQO-UHFFFAOYSA-N 1 3 325.416 1.246 20 0 EDADHO CC1(C)CC(NC(=O)C(=O)Nc2ccccc2CN)CC(C)(C)[NH2+]1 ZINC000906644725 592865539 /nfs/dbraw/zinc/86/55/39/592865539.db2.gz MCODTJGEDMNENA-UHFFFAOYSA-N 1 3 332.448 1.509 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645899 592865838 /nfs/dbraw/zinc/86/58/38/592865838.db2.gz MSWXVJWZVNQFAG-KFWWJZLASA-N 1 3 346.475 1.566 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000910861435 592897703 /nfs/dbraw/zinc/89/77/03/592897703.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 1 3 339.524 1.802 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910861435 592897704 /nfs/dbraw/zinc/89/77/04/592897704.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 1 3 339.524 1.802 20 0 EDADHO N[C@@H](CNC(=O)COc1ccc(CCC[NH3+])cc1)c1ccccc1 ZINC000911768085 593000704 /nfs/dbraw/zinc/00/07/04/593000704.db2.gz OLQMEERCBOAMPY-SFHVURJKSA-N 1 3 327.428 1.773 20 0 EDADHO C[C@@H]1CN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000911819670 593016286 /nfs/dbraw/zinc/01/62/86/593016286.db2.gz QBCGLBAKUJFIMJ-VBOZERGBSA-N 1 3 331.460 1.836 20 0 EDADHO O=C(c1ccc2c(c1)OCCNC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000911848156 593025686 /nfs/dbraw/zinc/02/56/86/593025686.db2.gz VANGKMTUSRISLY-UHFFFAOYSA-N 1 3 329.444 1.773 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000912591411 593106946 /nfs/dbraw/zinc/10/69/46/593106946.db2.gz NWAHCAHITBBWNW-IXDOHACOSA-N 1 3 339.524 1.847 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2cnc(C3OCCO3)s2)CC1 ZINC000809633963 593351134 /nfs/dbraw/zinc/35/11/34/593351134.db2.gz NXXJNKXONGWNQE-UHFFFAOYSA-N 1 3 340.493 1.304 20 0 EDADHO CC(C)[C@@H](CN(C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689803 593364141 /nfs/dbraw/zinc/36/41/41/593364141.db2.gz TZCSWQDJYZXALC-JKSUJKDBSA-N 1 3 327.538 1.906 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000819003270 593733306 /nfs/dbraw/zinc/73/33/06/593733306.db2.gz CYOKSTKPKZNLLF-BLLLJJGKSA-N 1 3 341.402 1.175 20 0 EDADHO CN1CCC(C[NH2+]C[C@H](O)c2ccccc2)(N2CCOCC2)CC1 ZINC000819366755 593752052 /nfs/dbraw/zinc/75/20/52/593752052.db2.gz ULSYUPFJPPGAHI-SFHVURJKSA-N 1 3 333.476 1.106 20 0 EDADHO [NH3+][C@@H](CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)C1CC1 ZINC000830085871 594334057 /nfs/dbraw/zinc/33/40/57/594334057.db2.gz OAMTUWIXFFVTBM-SFHVURJKSA-N 1 3 349.450 1.913 20 0 EDADHO C[C@@]1(CNC(=O)N[C@@]2(C)CC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000831078245 594550230 /nfs/dbraw/zinc/55/02/30/594550230.db2.gz DCXZLYXXDPUOIP-OALUTQOASA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)C1(CNC(=O)NCCCCCC[NH3+])Cc2ccccc2C1 ZINC000831133177 594564989 /nfs/dbraw/zinc/56/49/89/594564989.db2.gz SJOOTSYSJHHPCH-UHFFFAOYSA-N 1 3 332.492 1.904 20 0 EDADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@]1(F)CCNC1 ZINC000829225061 594584273 /nfs/dbraw/zinc/58/42/73/594584273.db2.gz BKIUSBNCILDRSF-PHSGOXPASA-N 1 3 331.435 2.000 20 0 EDADHO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@]1(F)CCNC1 ZINC000829225061 594584274 /nfs/dbraw/zinc/58/42/74/594584274.db2.gz BKIUSBNCILDRSF-PHSGOXPASA-N 1 3 331.435 2.000 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000841096544 594850542 /nfs/dbraw/zinc/85/05/42/594850542.db2.gz ZSJATGCKQVXSTA-HNAYVOBHSA-N 1 3 341.455 1.660 20 0 EDADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327205 594885459 /nfs/dbraw/zinc/88/54/59/594885459.db2.gz FBDWZYXCRFTKPG-CVEARBPZSA-N 1 3 346.431 1.153 20 0 EDADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327205 594885461 /nfs/dbraw/zinc/88/54/61/594885461.db2.gz FBDWZYXCRFTKPG-CVEARBPZSA-N 1 3 346.431 1.153 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841676297 594934452 /nfs/dbraw/zinc/93/44/52/594934452.db2.gz NVDCICFKJNXFLL-UHFFFAOYSA-N 1 3 347.507 1.013 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847045 594964387 /nfs/dbraw/zinc/96/43/87/594964387.db2.gz QECYPILRCUEKAK-UONOGXRCSA-N 1 3 333.432 1.922 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841927403 594983376 /nfs/dbraw/zinc/98/33/76/594983376.db2.gz LEFZONVXITYXCM-SFHVURJKSA-N 1 3 348.491 1.440 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000841990300 594996643 /nfs/dbraw/zinc/99/66/43/594996643.db2.gz ZEPCXRCXKBHXDD-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO CN(CC(=O)NCCc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000843355455 595085202 /nfs/dbraw/zinc/08/52/02/595085202.db2.gz PZRANSYVNHDXJC-UHFFFAOYSA-N 1 3 325.403 1.825 20 0 EDADHO C[C@@H](CC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170078 595290117 /nfs/dbraw/zinc/29/01/17/595290117.db2.gz GOTAWHPNZWSLAK-YJBOKZPZSA-N 1 3 337.508 1.772 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000844183198 595294984 /nfs/dbraw/zinc/29/49/84/595294984.db2.gz WEMDVLMSDLTQQQ-QGZVFWFLSA-N 1 3 331.460 1.980 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1 ZINC000849069555 595477502 /nfs/dbraw/zinc/47/75/02/595477502.db2.gz LKINFWZILUVCLP-GFCCVEGCSA-N 1 3 339.390 1.502 20 0 EDADHO CCOCCONC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000847754282 595478893 /nfs/dbraw/zinc/47/88/93/595478893.db2.gz RBFIFQSIZOGFKF-UHFFFAOYSA-N 1 3 327.469 1.267 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489037 595549641 /nfs/dbraw/zinc/54/96/41/595549641.db2.gz QPTYNXLJVMQPDK-ZWKOTPCHSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489037 595549644 /nfs/dbraw/zinc/54/96/44/595549644.db2.gz QPTYNXLJVMQPDK-ZWKOTPCHSA-N 1 3 347.507 1.444 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000112904023 595562197 /nfs/dbraw/zinc/56/21/97/595562197.db2.gz NQGBWEBCKSOMBD-UHFFFAOYSA-N 1 3 341.887 1.366 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852862627 595582752 /nfs/dbraw/zinc/58/27/52/595582752.db2.gz DXBGCGMHNHNCEZ-DOTOQJQBSA-N 1 3 330.432 1.352 20 0 EDADHO NC[C@H]1CC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852862912 595584103 /nfs/dbraw/zinc/58/41/03/595584103.db2.gz MWPICBIWFMMJSR-MRXNPFEDSA-N 1 3 330.432 1.118 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852888413 595600552 /nfs/dbraw/zinc/60/05/52/595600552.db2.gz JVGCEZPALJZMFD-RDJZCZTQSA-N 1 3 346.431 1.052 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103673 595665558 /nfs/dbraw/zinc/66/55/58/595665558.db2.gz CRPXVESMIRMXDR-IEBWSBKVSA-N 1 3 327.428 1.471 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103673 595665561 /nfs/dbraw/zinc/66/55/61/595665561.db2.gz CRPXVESMIRMXDR-IEBWSBKVSA-N 1 3 327.428 1.471 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccn1 ZINC000853103424 595665911 /nfs/dbraw/zinc/66/59/11/595665911.db2.gz XIOWFVQWDPAXKH-FQEVSTJZSA-N 1 3 341.455 1.862 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)c1ccccn1 ZINC000853103424 595665915 /nfs/dbraw/zinc/66/59/15/595665915.db2.gz XIOWFVQWDPAXKH-FQEVSTJZSA-N 1 3 341.455 1.862 20 0 EDADHO CN(CC1CN(C)C1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000855641660 595777945 /nfs/dbraw/zinc/77/79/45/595777945.db2.gz OTEUERHOMOYHOZ-JXMROGBWSA-N 1 3 331.460 1.660 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858525903 595818692 /nfs/dbraw/zinc/81/86/92/595818692.db2.gz NVYOQAZOAGMPLM-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858525903 595818694 /nfs/dbraw/zinc/81/86/94/595818694.db2.gz NVYOQAZOAGMPLM-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CC[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934974 595976858 /nfs/dbraw/zinc/97/68/58/595976858.db2.gz QKCJPQOVYIDJJW-QGZVFWFLSA-N 1 3 339.524 1.878 20 0 EDADHO O=C(CC[NH2+]CC1CC1)NCC1(N2CCSCC2)CCCC1 ZINC000870865601 596382925 /nfs/dbraw/zinc/38/29/25/596382925.db2.gz FBFLKDXYRNLPCI-UHFFFAOYSA-N 1 3 325.522 1.854 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000870876578 596386818 /nfs/dbraw/zinc/38/68/18/596386818.db2.gz SKNGWFXMZIOHSK-QAQDUYKDSA-N 1 3 345.491 1.227 20 0 EDADHO COCCCN(C)CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870893298 596393429 /nfs/dbraw/zinc/39/34/29/596393429.db2.gz MFEATWBYPCTCEA-UHFFFAOYSA-N 1 3 340.493 1.308 20 0 EDADHO CCN1CCN(c2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863556479 596617775 /nfs/dbraw/zinc/61/77/75/596617775.db2.gz DSWXIVJUUZZAIJ-IBGZPJMESA-N 1 3 332.492 1.697 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000868018105 596656767 /nfs/dbraw/zinc/65/67/67/596656767.db2.gz UGTVXTWMXMRMMO-UHFFFAOYSA-N 1 3 333.480 1.393 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228187 596735477 /nfs/dbraw/zinc/73/54/77/596735477.db2.gz BJMRTMWMZPXVSJ-IXDOHACOSA-N 1 3 344.459 1.430 20 0 EDADHO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000872057770 596800093 /nfs/dbraw/zinc/80/00/93/596800093.db2.gz ICVPDYUYUWJNRL-ULQDDVLXSA-N 1 3 327.513 1.874 20 0 EDADHO COC(=O)C1=CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872215827 596839055 /nfs/dbraw/zinc/83/90/55/596839055.db2.gz IHUCQCSETAPJBY-HKUYNNGSSA-N 1 3 330.428 1.475 20 0 EDADHO COC(=O)C1=CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872215827 596839058 /nfs/dbraw/zinc/83/90/58/596839058.db2.gz IHUCQCSETAPJBY-HKUYNNGSSA-N 1 3 330.428 1.475 20 0 EDADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000872226566 596843978 /nfs/dbraw/zinc/84/39/78/596843978.db2.gz OFBZMPCZPXRLII-UXHICEINSA-N 1 3 347.503 1.242 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1(C)C ZINC000875747015 596971181 /nfs/dbraw/zinc/97/11/81/596971181.db2.gz GILDJBMLIKCHQH-INIZCTEOSA-N 1 3 338.496 1.365 20 0 EDADHO C[N@H+]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1(C)C ZINC000875747015 596971182 /nfs/dbraw/zinc/97/11/82/596971182.db2.gz GILDJBMLIKCHQH-INIZCTEOSA-N 1 3 338.496 1.365 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226974 597233998 /nfs/dbraw/zinc/23/39/98/597233998.db2.gz FIVJRIONEOWQRQ-OXQOHEQNSA-N 1 3 327.472 1.774 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226974 597234000 /nfs/dbraw/zinc/23/40/00/597234000.db2.gz FIVJRIONEOWQRQ-OXQOHEQNSA-N 1 3 327.472 1.774 20 0 EDADHO C[C@@H](CCCC[NH3+])NCc1c(I)cnn1C ZINC000873277876 597244812 /nfs/dbraw/zinc/24/48/12/597244812.db2.gz WOOUXOHNDJPEJX-VIFPVBQESA-N 1 3 336.221 1.632 20 0 EDADHO CN(C)CCn1cc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873309815 597253086 /nfs/dbraw/zinc/25/30/86/597253086.db2.gz FTUZWAFZXITWBC-INIZCTEOSA-N 1 3 348.495 1.879 20 0 EDADHO CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000876729484 597309630 /nfs/dbraw/zinc/30/96/30/597309630.db2.gz OLYRUNQBJWVMNO-MOPGFXCFSA-N 1 3 346.519 1.779 20 0 EDADHO CN1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCC1(C)C ZINC000875428460 597424592 /nfs/dbraw/zinc/42/45/92/597424592.db2.gz IYJVOFGLVNWVJI-UHFFFAOYSA-N 1 3 339.528 1.138 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000878363930 597597802 /nfs/dbraw/zinc/59/78/02/597597802.db2.gz LRZOSZAEILSZJY-LPHOPBHVSA-N 1 3 331.460 1.564 20 0 EDADHO CCC[C@@H](C)[C@@H]1CCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780224 597624911 /nfs/dbraw/zinc/62/49/11/597624911.db2.gz XUZJWKRPYKYILR-CABCVRRESA-N 1 3 336.480 1.861 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000879672838 597681770 /nfs/dbraw/zinc/68/17/70/597681770.db2.gz AXPWKCQXLZACPF-UHFFFAOYSA-N 1 3 336.484 1.829 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147958 597857563 /nfs/dbraw/zinc/85/75/63/597857563.db2.gz MQXJCXRAZZMMSX-SJORKVTESA-N 1 3 333.476 1.498 20 0 EDADHO COc1ccc(C[N@H+](CCO)CCCN2CCN(C(C)C)CC2)cc1 ZINC000880572411 597967721 /nfs/dbraw/zinc/96/77/21/597967721.db2.gz QJOXXEREKSXELM-UHFFFAOYSA-N 1 3 349.519 1.906 20 0 EDADHO COc1ccc(C[N@@H+](CCO)CCCN2CCN(C(C)C)CC2)cc1 ZINC000880572411 597967724 /nfs/dbraw/zinc/96/77/24/597967724.db2.gz QJOXXEREKSXELM-UHFFFAOYSA-N 1 3 349.519 1.906 20 0 EDADHO O=C(N[C@@H]1CC[C@@H](CNCc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017797 699998906 /nfs/dbraw/zinc/99/89/06/699998906.db2.gz WZEJLULCVZBNPX-ZIAGYGMSSA-N 1 3 349.504 1.541 20 0 EDADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001060765235 700020971 /nfs/dbraw/zinc/02/09/71/700020971.db2.gz XHNMOMLUDNWTGI-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000915208344 695763392 /nfs/dbraw/zinc/76/33/92/695763392.db2.gz FMIVOXJAYUDJBK-PMPSAXMXSA-N 1 3 348.491 1.861 20 0 EDADHO C[C@@H]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000915208340 695763454 /nfs/dbraw/zinc/76/34/54/695763454.db2.gz FMIVOXJAYUDJBK-OAGGEKHMSA-N 1 3 348.491 1.861 20 0 EDADHO COC(C)(C)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493075 695933175 /nfs/dbraw/zinc/93/31/75/695933175.db2.gz OGGIGJCJPFKGCE-AWEZNQCLSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCOC1CCC1 ZINC000993759672 696352514 /nfs/dbraw/zinc/35/25/14/696352514.db2.gz MCAGODVMRNSELA-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO COCCN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211254 696583484 /nfs/dbraw/zinc/58/34/84/696583484.db2.gz YHHAQYKGRAHSSH-QAPCUYQASA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCO ZINC000948065939 697056368 /nfs/dbraw/zinc/05/63/68/697056368.db2.gz LDSIRPUBSWRXLK-NVXWUHKLSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCO ZINC000948065939 697056372 /nfs/dbraw/zinc/05/63/72/697056372.db2.gz LDSIRPUBSWRXLK-NVXWUHKLSA-N 1 3 333.476 1.713 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000917897844 697099715 /nfs/dbraw/zinc/09/97/15/697099715.db2.gz DNJORLPJZFIJNQ-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000917897844 697099717 /nfs/dbraw/zinc/09/97/17/697099717.db2.gz DNJORLPJZFIJNQ-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136870 699223686 /nfs/dbraw/zinc/22/36/86/699223686.db2.gz CPIVSBITQCPKJT-DOTOQJQBSA-N 1 3 337.508 1.581 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677132 701615818 /nfs/dbraw/zinc/61/58/18/701615818.db2.gz LUZMKQMRZGOYQQ-CALCHBBNSA-N 1 3 336.524 1.488 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677132 701615819 /nfs/dbraw/zinc/61/58/19/701615819.db2.gz LUZMKQMRZGOYQQ-CALCHBBNSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)ccn2)CC1)N(C)C ZINC000940176798 700309795 /nfs/dbraw/zinc/30/97/95/700309795.db2.gz PHPVJXFVEZWJLA-QGZVFWFLSA-N 1 3 348.491 1.901 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995056998 700412217 /nfs/dbraw/zinc/41/22/17/700412217.db2.gz TVRJUEFNMWZHJB-CVEARBPZSA-N 1 3 347.507 1.669 20 0 EDADHO Cn1nccc1CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842638 700938643 /nfs/dbraw/zinc/93/86/43/700938643.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842638 700938644 /nfs/dbraw/zinc/93/86/44/700938644.db2.gz LBPRFWKBSVKBLD-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941430807 701537780 /nfs/dbraw/zinc/53/77/80/701537780.db2.gz CWDJKWCVPGQMJG-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941430807 701537781 /nfs/dbraw/zinc/53/77/81/701537781.db2.gz CWDJKWCVPGQMJG-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO CCc1ccccc1CCN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130414 701842181 /nfs/dbraw/zinc/84/21/81/701842181.db2.gz OZSNPGIMQLGBNA-UHFFFAOYSA-N 1 3 341.499 1.935 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995806325 702051963 /nfs/dbraw/zinc/05/19/63/702051963.db2.gz WCZVYTAGRJOAQK-IRXDYDNUSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995806325 702051968 /nfs/dbraw/zinc/05/19/68/702051968.db2.gz WCZVYTAGRJOAQK-IRXDYDNUSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032663965 706653678 /nfs/dbraw/zinc/65/36/78/706653678.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCOCC1 ZINC001032663965 706653681 /nfs/dbraw/zinc/65/36/81/706653681.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032663965 706653683 /nfs/dbraw/zinc/65/36/83/706653683.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032663965 706653685 /nfs/dbraw/zinc/65/36/85/706653685.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500575 702839421 /nfs/dbraw/zinc/83/94/21/702839421.db2.gz GXZKAFIALZQRGG-NVXWUHKLSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996500575 702839424 /nfs/dbraw/zinc/83/94/24/702839424.db2.gz GXZKAFIALZQRGG-NVXWUHKLSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000996559871 702878367 /nfs/dbraw/zinc/87/83/67/702878367.db2.gz GMDGZBAHPJWQLE-KRWDZBQOSA-N 1 3 332.448 1.405 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996670558 702971975 /nfs/dbraw/zinc/97/19/75/702971975.db2.gz ZGOFRRODQFPAAT-SFHVURJKSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996670558 702971976 /nfs/dbraw/zinc/97/19/76/702971976.db2.gz ZGOFRRODQFPAAT-SFHVURJKSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000996692033 702989071 /nfs/dbraw/zinc/98/90/71/702989071.db2.gz FGNJEGKMOZPZQM-SFHVURJKSA-N 1 3 347.507 1.496 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)N(C)C ZINC000996692574 702989943 /nfs/dbraw/zinc/98/99/43/702989943.db2.gz NTAVSFDGUXOSRA-SFHVURJKSA-N 1 3 339.524 1.970 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997011584 703271585 /nfs/dbraw/zinc/27/15/85/703271585.db2.gz XDQCOXCXEIHANJ-CJNGLKHVSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997011584 703271586 /nfs/dbraw/zinc/27/15/86/703271586.db2.gz XDQCOXCXEIHANJ-CJNGLKHVSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)ncn1 ZINC000997116308 703370989 /nfs/dbraw/zinc/37/09/89/703370989.db2.gz VVQCPZWSSMCXQX-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(C)n1 ZINC000997307952 703566156 /nfs/dbraw/zinc/56/61/56/703566156.db2.gz XUKQALYNHBSSSW-UHFFFAOYSA-N 1 3 330.476 1.875 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000921584347 703627571 /nfs/dbraw/zinc/62/75/71/703627571.db2.gz UVUXRZOVJXQJEF-HDMKZQKVSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000921584347 703627573 /nfs/dbraw/zinc/62/75/73/703627573.db2.gz UVUXRZOVJXQJEF-HDMKZQKVSA-N 1 3 345.491 1.999 20 0 EDADHO Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997605169 703901817 /nfs/dbraw/zinc/90/18/17/703901817.db2.gz DQNLVFVTINQCLO-GOSISDBHSA-N 1 3 330.476 1.812 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831456 704749519 /nfs/dbraw/zinc/74/95/19/704749519.db2.gz SHYVLOPBMXVSBJ-YLJYHZDGSA-N 1 3 349.519 1.726 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)N(C)C ZINC000997840535 704757059 /nfs/dbraw/zinc/75/70/59/704757059.db2.gz RHWYGQMJGQEBAX-SFHVURJKSA-N 1 3 339.524 1.827 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000997840573 704757067 /nfs/dbraw/zinc/75/70/67/704757067.db2.gz SCYBNXHWTUMZBA-MSOLQXFVSA-N 1 3 339.524 1.970 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998216236 705537787 /nfs/dbraw/zinc/53/77/87/705537787.db2.gz FKOXVMJZORFKGF-CQSZACIVSA-N 1 3 337.493 1.208 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998216236 705537791 /nfs/dbraw/zinc/53/77/91/705537791.db2.gz FKOXVMJZORFKGF-CQSZACIVSA-N 1 3 337.493 1.208 20 0 EDADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000998271637 705651476 /nfs/dbraw/zinc/65/14/76/705651476.db2.gz ANHZLLSTISLACB-AEFFLSMTSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC000998298546 705702424 /nfs/dbraw/zinc/70/24/24/705702424.db2.gz XXDWNXZUMHGURW-OLZOCXBDSA-N 1 3 332.370 1.977 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998791153 706238136 /nfs/dbraw/zinc/23/81/36/706238136.db2.gz ISQKAHXJZQLGOJ-BLYZHGLHSA-N 1 3 337.493 1.266 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998791153 706238139 /nfs/dbraw/zinc/23/81/39/706238139.db2.gz ISQKAHXJZQLGOJ-BLYZHGLHSA-N 1 3 337.493 1.266 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000998795498 706242271 /nfs/dbraw/zinc/24/22/71/706242271.db2.gz IBEREIUHDMOQKN-WBTBYHMDSA-N 1 3 346.475 1.509 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000998795498 706242274 /nfs/dbraw/zinc/24/22/74/706242274.db2.gz IBEREIUHDMOQKN-WBTBYHMDSA-N 1 3 346.475 1.509 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000998866494 706296371 /nfs/dbraw/zinc/29/63/71/706296371.db2.gz KEXUVCNGAKYPOL-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cc(C)ncn2)C1 ZINC000998866494 706296373 /nfs/dbraw/zinc/29/63/73/706296373.db2.gz KEXUVCNGAKYPOL-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC000998901306 706337595 /nfs/dbraw/zinc/33/75/95/706337595.db2.gz MFHKUZOMBJFTIZ-PQUAAJSLSA-N 1 3 347.507 1.762 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CC(NCc2ccnn2C)C1 ZINC000998901306 706337597 /nfs/dbraw/zinc/33/75/97/706337597.db2.gz MFHKUZOMBJFTIZ-PQUAAJSLSA-N 1 3 347.507 1.762 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999144743 706558489 /nfs/dbraw/zinc/55/84/89/706558489.db2.gz NIWVFXNIMPMPOO-RDJZCZTQSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999144743 706558493 /nfs/dbraw/zinc/55/84/93/706558493.db2.gz NIWVFXNIMPMPOO-RDJZCZTQSA-N 1 3 333.480 1.374 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC000999369608 706883543 /nfs/dbraw/zinc/88/35/43/706883543.db2.gz JOJGQYXUEUQFLE-CABCVRRESA-N 1 3 329.435 1.953 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999469404 706978633 /nfs/dbraw/zinc/97/86/33/706978633.db2.gz MPDCHJMKPLHBIM-UHFFFAOYSA-N 1 3 330.407 1.913 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2ccc(F)cn2)C1 ZINC000999682379 707167771 /nfs/dbraw/zinc/16/77/71/707167771.db2.gz PAIISTKNZLLREJ-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2ccc(F)cn2)C1 ZINC000999682379 707167773 /nfs/dbraw/zinc/16/77/73/707167773.db2.gz PAIISTKNZLLREJ-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238984 /nfs/dbraw/zinc/23/89/84/707238984.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 1 3 337.508 1.534 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238985 /nfs/dbraw/zinc/23/89/85/707238985.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 1 3 337.508 1.534 20 0 EDADHO CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279598 707347104 /nfs/dbraw/zinc/34/71/04/707347104.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 1 3 349.519 1.819 20 0 EDADHO CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279598 707347110 /nfs/dbraw/zinc/34/71/10/707347110.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 1 3 349.519 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279715 707347484 /nfs/dbraw/zinc/34/74/84/707347484.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 1 3 347.503 1.573 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279715 707347489 /nfs/dbraw/zinc/34/74/89/707347489.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 1 3 347.503 1.573 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993897 707671728 /nfs/dbraw/zinc/67/17/28/707671728.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 1 3 348.495 1.422 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993897 707671731 /nfs/dbraw/zinc/67/17/31/707671731.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 1 3 348.495 1.422 20 0 EDADHO C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942848 707689886 /nfs/dbraw/zinc/68/98/86/707689886.db2.gz BGHUHDFXAOPGCA-WMLDXEAASA-N 1 3 334.464 1.738 20 0 EDADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000084173 707693377 /nfs/dbraw/zinc/69/33/77/707693377.db2.gz YAZLOCSATSEFGY-INIZCTEOSA-N 1 3 348.495 1.029 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]Cc2c3c(nn2C)CCOC3)C[C@H](C)O1 ZINC000921758303 707988548 /nfs/dbraw/zinc/98/85/48/707988548.db2.gz CQGNTPMERDZRJM-GASCZTMLSA-N 1 3 336.480 1.472 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)c1 ZINC001032799579 708078794 /nfs/dbraw/zinc/07/87/94/708078794.db2.gz DDKSSGPXAULRAF-WDSOQIARSA-N 1 3 343.471 1.683 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCOC2)c1 ZINC001032799579 708078795 /nfs/dbraw/zinc/07/87/95/708078795.db2.gz DDKSSGPXAULRAF-WDSOQIARSA-N 1 3 343.471 1.683 20 0 EDADHO COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685361 708499565 /nfs/dbraw/zinc/49/95/65/708499565.db2.gz SNDUXTWGXFSFGT-QAPCUYQASA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685361 708499566 /nfs/dbraw/zinc/49/95/66/708499566.db2.gz SNDUXTWGXFSFGT-QAPCUYQASA-N 1 3 333.476 1.929 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042697 708564444 /nfs/dbraw/zinc/56/44/44/708564444.db2.gz GMIVZRMCBPQRML-UHFFFAOYSA-N 1 3 342.487 1.814 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121141 708634923 /nfs/dbraw/zinc/63/49/23/708634923.db2.gz ORLQSCKXADZPRX-GOSISDBHSA-N 1 3 330.476 1.670 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121141 708634924 /nfs/dbraw/zinc/63/49/24/708634924.db2.gz ORLQSCKXADZPRX-GOSISDBHSA-N 1 3 330.476 1.670 20 0 EDADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033830968 708852862 /nfs/dbraw/zinc/85/28/62/708852862.db2.gz QRXVAIDNTKFKFC-PKOBYXMFSA-N 1 3 349.519 1.820 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003011151 709782896 /nfs/dbraw/zinc/78/28/96/709782896.db2.gz MOKCYYMXCYXVJN-SFHVURJKSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003011151 709782899 /nfs/dbraw/zinc/78/28/99/709782899.db2.gz MOKCYYMXCYXVJN-SFHVURJKSA-N 1 3 347.507 1.727 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)N1CCCCCC1 ZINC001034439635 710015770 /nfs/dbraw/zinc/01/57/70/710015770.db2.gz WJCMYLSJNNGFQG-IAGOWNOFSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)N1CCCCCC1 ZINC001034439635 710015776 /nfs/dbraw/zinc/01/57/76/710015776.db2.gz WJCMYLSJNNGFQG-IAGOWNOFSA-N 1 3 325.497 1.604 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034482121 710106296 /nfs/dbraw/zinc/10/62/96/710106296.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 1 3 339.524 1.994 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482121 710106298 /nfs/dbraw/zinc/10/62/98/710106298.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 1 3 339.524 1.994 20 0 EDADHO CC1CC(C[NH+]2CCC(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001003330775 710265056 /nfs/dbraw/zinc/26/50/56/710265056.db2.gz CSIXTUXYSYPHJS-LMFLDHGRSA-N 1 3 347.503 1.476 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647626 710324361 /nfs/dbraw/zinc/32/43/61/710324361.db2.gz NZGVCXYYOUDUIN-QBPKDAKJSA-N 1 3 347.507 1.760 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647626 710324365 /nfs/dbraw/zinc/32/43/65/710324365.db2.gz NZGVCXYYOUDUIN-QBPKDAKJSA-N 1 3 347.507 1.760 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628678 710458728 /nfs/dbraw/zinc/45/87/28/710458728.db2.gz SRXWFPUAFQSQFW-RDTXWAMCSA-N 1 3 343.487 1.814 20 0 EDADHO CN(CCCNCc1csc(-c2ccn(C)n2)n1)CC[NH+](C)C ZINC000922273255 710562764 /nfs/dbraw/zinc/56/27/64/710562764.db2.gz CGWPUXAVRUTYBP-UHFFFAOYSA-N 1 3 336.509 1.517 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](CC)C(N)=O)CC1 ZINC001034659662 710589313 /nfs/dbraw/zinc/58/93/13/710589313.db2.gz WWBDWUHAWGRBCP-KLHDSHLOSA-N 1 3 338.496 1.142 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001034778773 711082613 /nfs/dbraw/zinc/08/26/13/711082613.db2.gz YULASFPWTKVWIV-SHTZXODSSA-N 1 3 331.464 1.033 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034881287 711281477 /nfs/dbraw/zinc/28/14/77/711281477.db2.gz GQFFYVPFIWKWKT-MJGOQNOKSA-N 1 3 344.503 1.927 20 0 EDADHO Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034883357 711285787 /nfs/dbraw/zinc/28/57/87/711285787.db2.gz RLYMPIMDSKHCMP-ZBFHGGJFSA-N 1 3 336.505 1.935 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391160 711455523 /nfs/dbraw/zinc/45/55/23/711455523.db2.gz UELMTFOCULBYPR-KQTLUZQSSA-N 1 3 326.872 1.643 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391160 711455526 /nfs/dbraw/zinc/45/55/26/711455526.db2.gz UELMTFOCULBYPR-KQTLUZQSSA-N 1 3 326.872 1.643 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033125573 711875952 /nfs/dbraw/zinc/87/59/52/711875952.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 1 3 347.507 1.370 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033125573 711875953 /nfs/dbraw/zinc/87/59/53/711875953.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 1 3 347.507 1.370 20 0 EDADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623780 711925343 /nfs/dbraw/zinc/92/53/43/711925343.db2.gz QTZMUTARBKUDGH-NRSFXHEJSA-N 1 3 337.508 1.532 20 0 EDADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623780 711925344 /nfs/dbraw/zinc/92/53/44/711925344.db2.gz QTZMUTARBKUDGH-NRSFXHEJSA-N 1 3 337.508 1.532 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000173324616 282241064 /nfs/dbraw/zinc/24/10/64/282241064.db2.gz ICIITGGJFFZQJS-ZWKOTPCHSA-N 1 3 328.460 1.945 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000412325177 303996408 /nfs/dbraw/zinc/99/64/08/303996408.db2.gz WYTVFBAXNXRWME-HUUCEWRRSA-N 1 3 340.512 1.260 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000417828691 291071602 /nfs/dbraw/zinc/07/16/02/291071602.db2.gz FUURKCBQMCZMJC-RDJZCZTQSA-N 1 3 334.464 1.002 20 0 EDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000563424130 306332439 /nfs/dbraw/zinc/33/24/39/306332439.db2.gz JRUNSIGGVJWSHS-MELADBBJSA-N 1 3 343.518 1.761 20 0 EDADHO Cn1cc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000050797303 138132777 /nfs/dbraw/zinc/13/27/77/138132777.db2.gz QQXAHWFCPHQTSL-UHFFFAOYSA-N 1 3 333.480 1.028 20 0 EDADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000564849609 306367290 /nfs/dbraw/zinc/36/72/90/306367290.db2.gz NJUXRMANWMKZEX-QAPCUYQASA-N 1 3 337.464 1.300 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000564892081 306368594 /nfs/dbraw/zinc/36/85/94/306368594.db2.gz PTBXQEZKEZOIEL-UHFFFAOYSA-N 1 3 330.436 1.009 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564937723 306370549 /nfs/dbraw/zinc/37/05/49/306370549.db2.gz MQVWPKHVARDTDE-YHUYYLMFSA-N 1 3 340.512 1.643 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366488976 296018431 /nfs/dbraw/zinc/01/84/31/296018431.db2.gz VRFZMBMKLINROO-MJGOQNOKSA-N 1 3 349.519 1.964 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000565210330 306378565 /nfs/dbraw/zinc/37/85/65/306378565.db2.gz WJCVJXONXBUGJZ-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@H](C)O3)CC2)CC1 ZINC000565210331 306378611 /nfs/dbraw/zinc/37/86/11/306378611.db2.gz WJCVJXONXBUGJZ-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)n1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414477812 304117882 /nfs/dbraw/zinc/11/78/82/304117882.db2.gz CNZAZOUQNHHZNL-UHFFFAOYSA-N 1 3 335.496 1.350 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414709703 304131331 /nfs/dbraw/zinc/13/13/31/304131331.db2.gz RPHVXGFDBCUDQJ-ZDUSSCGKSA-N 1 3 332.448 1.117 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000414735923 304134841 /nfs/dbraw/zinc/13/48/41/304134841.db2.gz MERDKIXWAWGNLL-PBHICJAKSA-N 1 3 344.459 1.732 20 0 EDADHO COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415100644 304159980 /nfs/dbraw/zinc/15/99/80/304159980.db2.gz GTNWTZUYKNOUKL-LBPRGKRZSA-N 1 3 325.840 1.636 20 0 EDADHO Cn1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C(C)(C)C)n1 ZINC000415143794 304164494 /nfs/dbraw/zinc/16/44/94/304164494.db2.gz UAKJUUAUUXKMLS-CVEARBPZSA-N 1 3 332.492 1.918 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000236739667 139029992 /nfs/dbraw/zinc/02/99/92/139029992.db2.gz BDUJQTFTLURUDE-RDJZCZTQSA-N 1 3 333.476 1.986 20 0 EDADHO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000236946418 139035793 /nfs/dbraw/zinc/03/57/93/139035793.db2.gz LVCDIUMYHFRQSO-SJORKVTESA-N 1 3 346.475 1.919 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000415297325 304188150 /nfs/dbraw/zinc/18/81/50/304188150.db2.gz NMJXUCQSPYJHCN-ZDUSSCGKSA-N 1 3 332.448 1.635 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000246325428 139104129 /nfs/dbraw/zinc/10/41/29/139104129.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 1 3 336.476 1.987 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000246325428 139104130 /nfs/dbraw/zinc/10/41/30/139104130.db2.gz AWIUYUNJLWNMMH-KBAYOESNSA-N 1 3 336.476 1.987 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000247141705 139137353 /nfs/dbraw/zinc/13/73/53/139137353.db2.gz HUIDTGYJYRFDFR-DOTOQJQBSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C)CC2)[C@@H](C)C1 ZINC000247141705 139137354 /nfs/dbraw/zinc/13/73/54/139137354.db2.gz HUIDTGYJYRFDFR-DOTOQJQBSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000247982626 139156845 /nfs/dbraw/zinc/15/68/45/139156845.db2.gz NCLYCCXZCXUKTF-YQQAZPJKSA-N 1 3 325.497 1.674 20 0 EDADHO COCCN(C)CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093124125 218194365 /nfs/dbraw/zinc/19/43/65/218194365.db2.gz CUATVZKNHOQISF-UHFFFAOYSA-N 1 3 349.479 1.175 20 0 EDADHO CN1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093134839 218196074 /nfs/dbraw/zinc/19/60/74/218196074.db2.gz DFOLILJFXRVHHH-UHFFFAOYSA-N 1 3 331.464 1.691 20 0 EDADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000261701919 139218897 /nfs/dbraw/zinc/21/88/97/139218897.db2.gz CRFQIHYZVFIYDN-IAGOWNOFSA-N 1 3 345.491 1.180 20 0 EDADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261917910 139236908 /nfs/dbraw/zinc/23/69/08/139236908.db2.gz USEQJGNWYRYTHW-UHFFFAOYSA-N 1 3 334.420 1.023 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCCC2)cc1 ZINC000415111464 250912736 /nfs/dbraw/zinc/91/27/36/250912736.db2.gz CCUOLIAJBZGVQR-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000416989381 251119611 /nfs/dbraw/zinc/11/96/11/251119611.db2.gz MHHODABDZYNEOB-UHFFFAOYSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417385205 251161292 /nfs/dbraw/zinc/16/12/92/251161292.db2.gz LUNBLTVAQWLTLD-INIZCTEOSA-N 1 3 348.495 1.020 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417556626 251187292 /nfs/dbraw/zinc/18/72/92/251187292.db2.gz PAPQWJLCNSKUNP-KGLIPLIRSA-N 1 3 332.439 1.937 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417556626 251187294 /nfs/dbraw/zinc/18/72/94/251187294.db2.gz PAPQWJLCNSKUNP-KGLIPLIRSA-N 1 3 332.439 1.937 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717548 251240748 /nfs/dbraw/zinc/24/07/48/251240748.db2.gz VFCJMZSSRBWGOM-SJORKVTESA-N 1 3 334.464 1.487 20 0 EDADHO CN(C)C1(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000417729767 251247104 /nfs/dbraw/zinc/24/71/04/251247104.db2.gz CNGJRSWWRGKWPU-SFHVURJKSA-N 1 3 344.503 1.869 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000262443214 139279443 /nfs/dbraw/zinc/27/94/43/139279443.db2.gz TWNJUWOJCZHLFT-YJBOKZPZSA-N 1 3 345.487 1.648 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000417744022 251253101 /nfs/dbraw/zinc/25/31/01/251253101.db2.gz CJOLWNBBTHVIPV-MSOLQXFVSA-N 1 3 348.491 1.339 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000418123554 251335408 /nfs/dbraw/zinc/33/54/08/251335408.db2.gz ZJWJRBOOFUFXNZ-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN(C)CC1 ZINC000418193931 251353679 /nfs/dbraw/zinc/35/36/79/251353679.db2.gz CTEORZXBZQZZQC-UONOGXRCSA-N 1 3 326.510 1.065 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418321398 251359411 /nfs/dbraw/zinc/35/94/11/251359411.db2.gz RXERRVQSLYVBNX-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262553137 139286205 /nfs/dbraw/zinc/28/62/05/139286205.db2.gz ZQWJJYVXKQVGPS-CHWSQXEVSA-N 1 3 347.463 1.824 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(N)CCCC2)c1 ZINC000262675439 139295370 /nfs/dbraw/zinc/29/53/70/139295370.db2.gz RNPNHJQTIZJDDF-UHFFFAOYSA-N 1 3 346.475 1.968 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343879 251686888 /nfs/dbraw/zinc/68/68/88/251686888.db2.gz RQCKBHQNDOVLKA-VNQPRFMTSA-N 1 3 344.459 1.434 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1CN(C)C ZINC000415594415 304235176 /nfs/dbraw/zinc/23/51/76/304235176.db2.gz KQYBLTPOCNVCPY-XIRDDKMYSA-N 1 3 344.459 1.191 20 0 EDADHO C[C@H](CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)C1CC[NH2+]CC1 ZINC000262804588 139304967 /nfs/dbraw/zinc/30/49/67/139304967.db2.gz OGRAPAMBSPUZJX-GFCCVEGCSA-N 1 3 342.447 1.895 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000262850551 139307866 /nfs/dbraw/zinc/30/78/66/139307866.db2.gz ZOASLBTXYRBVIW-HUUCEWRRSA-N 1 3 329.510 1.041 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccnc2N(C)C)CC[NH2+]CC1 ZINC000422871129 252006330 /nfs/dbraw/zinc/00/63/30/252006330.db2.gz ZVMMTPRQDFHBMT-CQSZACIVSA-N 1 3 334.464 1.559 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422881949 252010445 /nfs/dbraw/zinc/01/04/45/252010445.db2.gz RIYGPDMCAUBYSH-AEFFLSMTSA-N 1 3 331.508 1.701 20 0 EDADHO C[C@H](NC[C@@H](CO)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000423074162 252034879 /nfs/dbraw/zinc/03/48/79/252034879.db2.gz KVGQSNAPQBWAPN-AAEUAGOBSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1CNC1 ZINC000423074162 252034883 /nfs/dbraw/zinc/03/48/83/252034883.db2.gz KVGQSNAPQBWAPN-AAEUAGOBSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909650 252019763 /nfs/dbraw/zinc/01/97/63/252019763.db2.gz GMVSTYOWBYTOEU-MJGOQNOKSA-N 1 3 344.503 1.703 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000423841129 252088274 /nfs/dbraw/zinc/08/82/74/252088274.db2.gz JFZNSHKDMXRQBI-UHFFFAOYSA-N 1 3 346.475 1.534 20 0 EDADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@H](O)CN3)c2)CC1 ZINC000423850559 252090730 /nfs/dbraw/zinc/09/07/30/252090730.db2.gz QXWXJIFCZCMNNS-ZWKOTPCHSA-N 1 3 331.460 1.622 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000423793570 252077124 /nfs/dbraw/zinc/07/71/24/252077124.db2.gz XFLWRGDDSOGDND-MRXNPFEDSA-N 1 3 332.448 1.253 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000424337414 252197829 /nfs/dbraw/zinc/19/78/29/252197829.db2.gz RPUYABIHFJUGAQ-HZPDHXFCSA-N 1 3 334.439 1.334 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424381829 252204662 /nfs/dbraw/zinc/20/46/62/252204662.db2.gz ZQPUZUGTPOAPAI-RAIGVLPGSA-N 1 3 328.254 1.859 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424412833 252217646 /nfs/dbraw/zinc/21/76/46/252217646.db2.gz BRXNJDOQDNQMTD-UHFFFAOYSA-N 1 3 347.507 1.991 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000262968065 139315899 /nfs/dbraw/zinc/31/58/99/139315899.db2.gz XIFGUQJGFHTYAR-ZWKOTPCHSA-N 1 3 344.503 1.764 20 0 EDADHO CCN1CCN(C[C@@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899968 252313553 /nfs/dbraw/zinc/31/35/53/252313553.db2.gz MQPKBTHECBMZKK-INIZCTEOSA-N 1 3 349.523 1.505 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376675932 285010433 /nfs/dbraw/zinc/01/04/33/285010433.db2.gz XOZLKSNKFKQTPA-RDJZCZTQSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415693573 304257344 /nfs/dbraw/zinc/25/73/44/304257344.db2.gz UFWXXOZNRAEDJH-HNNXBMFYSA-N 1 3 346.475 1.317 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000263761330 139358442 /nfs/dbraw/zinc/35/84/42/139358442.db2.gz KZOSMSHOYXNFHX-KRWDZBQOSA-N 1 3 336.480 1.037 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC[C@H]1C ZINC000357763390 285246272 /nfs/dbraw/zinc/24/62/72/285246272.db2.gz RNNDHBOIIZBDJT-OAGGEKHMSA-N 1 3 342.553 1.795 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC[C@H]1C ZINC000357763390 285246275 /nfs/dbraw/zinc/24/62/75/285246275.db2.gz RNNDHBOIIZBDJT-OAGGEKHMSA-N 1 3 342.553 1.795 20 0 EDADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)/C=C\C[NH+](C)C)cc21 ZINC000491684515 255140853 /nfs/dbraw/zinc/14/08/53/255140853.db2.gz FUITYCLPFCVKTA-WAYWQWQTSA-N 1 3 332.404 1.212 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415797162 304273374 /nfs/dbraw/zinc/27/33/74/304273374.db2.gz YHTHQOOVGOBIOQ-KBPBESRZSA-N 1 3 332.448 1.463 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796072 285277864 /nfs/dbraw/zinc/27/78/64/285277864.db2.gz FLGMNHSEZZTNCU-SJORKVTESA-N 1 3 340.512 1.423 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796072 285277867 /nfs/dbraw/zinc/27/78/67/285277867.db2.gz FLGMNHSEZZTNCU-SJORKVTESA-N 1 3 340.512 1.423 20 0 EDADHO C[C@H](Oc1cccnc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117774862 221088202 /nfs/dbraw/zinc/08/82/02/221088202.db2.gz VHCMTIXXSQUYDR-HNNXBMFYSA-N 1 3 346.475 1.524 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000166708709 533621283 /nfs/dbraw/zinc/62/12/83/533621283.db2.gz WSOIZRHDWRGYSX-MRXNPFEDSA-N 1 3 349.500 1.861 20 0 EDADHO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000266958570 139572994 /nfs/dbraw/zinc/57/29/94/139572994.db2.gz ZFGJNZGXUNRFJH-MJGOQNOKSA-N 1 3 344.503 1.607 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416237850 304298896 /nfs/dbraw/zinc/29/88/96/304298896.db2.gz CTWXWXKEVVKMFB-SQNIBIBYSA-N 1 3 331.460 1.611 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268258693 139750351 /nfs/dbraw/zinc/75/03/51/139750351.db2.gz IHPNQSRGKYQQBQ-YOEHRIQHSA-N 1 3 346.475 1.404 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270636533 140138988 /nfs/dbraw/zinc/13/89/88/140138988.db2.gz HAJNCKKQGVCIGU-CQSZACIVSA-N 1 3 337.468 1.161 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000333186057 141277752 /nfs/dbraw/zinc/27/77/52/141277752.db2.gz SXMAJMKQUGWTKD-MSOLQXFVSA-N 1 3 343.475 1.995 20 0 EDADHO C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701018 141361142 /nfs/dbraw/zinc/36/11/42/141361142.db2.gz QUYTXKNXMLGDET-OWCLPIDISA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333864706 141397071 /nfs/dbraw/zinc/39/70/71/141397071.db2.gz APDWPCAWDAQYBB-INIZCTEOSA-N 1 3 338.496 1.463 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC[C@@H]2C)CC1 ZINC000333136242 299664286 /nfs/dbraw/zinc/66/42/86/299664286.db2.gz CIZUMIFDZNCTLO-LSDHHAIUSA-N 1 3 331.464 1.610 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CCN(C)CC1)CC(C)C ZINC000339632537 142101133 /nfs/dbraw/zinc/10/11/33/142101133.db2.gz TUFYWIDRXUVASW-MRXNPFEDSA-N 1 3 340.512 1.070 20 0 EDADHO CCN(CCOC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339992306 142226675 /nfs/dbraw/zinc/22/66/75/142226675.db2.gz KJOXJGNRQLVLPM-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCN1C ZINC000343619077 142865220 /nfs/dbraw/zinc/86/52/20/142865220.db2.gz JQPKDBOCBXIIEF-MAUKXSAKSA-N 1 3 348.491 1.909 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000345725871 143126136 /nfs/dbraw/zinc/12/61/36/143126136.db2.gz YBVBTTFBZQFNJQ-HNNXBMFYSA-N 1 3 341.402 1.812 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCN1C ZINC000345747908 143128547 /nfs/dbraw/zinc/12/85/47/143128547.db2.gz MVEPSFDICDJPEC-WBVHZDCISA-N 1 3 340.512 1.611 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2CCN(C)CC2)[C@@H](C)C1 ZINC000346979661 143268086 /nfs/dbraw/zinc/26/80/86/143268086.db2.gz MYQJNWNTTSZSHJ-FUHWJXTLSA-N 1 3 339.524 1.972 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CC2CCN(C)CC2)[C@@H](C)C1 ZINC000346979661 143268087 /nfs/dbraw/zinc/26/80/87/143268087.db2.gz MYQJNWNTTSZSHJ-FUHWJXTLSA-N 1 3 339.524 1.972 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)N(C)C1 ZINC000347172475 143290856 /nfs/dbraw/zinc/29/08/56/143290856.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)N(C)C1 ZINC000347172475 143290857 /nfs/dbraw/zinc/29/08/57/143290857.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 1 3 340.512 1.610 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000416788151 304349215 /nfs/dbraw/zinc/34/92/15/304349215.db2.gz ATEYFCAYRWQWSB-QGZVFWFLSA-N 1 3 332.448 1.020 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353087012 149280209 /nfs/dbraw/zinc/28/02/09/149280209.db2.gz LYNLBEBHVGFGCJ-MRXNPFEDSA-N 1 3 348.491 1.911 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000369917772 155231978 /nfs/dbraw/zinc/23/19/78/155231978.db2.gz FLIYVKKLBBLXPW-TXPKVOOTSA-N 1 3 337.508 1.757 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573578147 306625233 /nfs/dbraw/zinc/62/52/33/306625233.db2.gz HNVJRYKEHISBGB-IAGOWNOFSA-N 1 3 339.505 1.874 20 0 EDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416979351 304360095 /nfs/dbraw/zinc/36/00/95/304360095.db2.gz SDTMOAJAZICJQS-QAPCUYQASA-N 1 3 330.476 1.825 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873506 151179999 /nfs/dbraw/zinc/17/99/99/151179999.db2.gz VAMMACGXDOZSPF-DZGCQCFKSA-N 1 3 340.537 1.596 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)CN(C)Cc2ccccc2)CC1 ZINC000358022687 151237810 /nfs/dbraw/zinc/23/78/10/151237810.db2.gz HUFLCITWPMNVIK-UHFFFAOYSA-N 1 3 346.519 1.652 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358125604 151280171 /nfs/dbraw/zinc/28/01/71/151280171.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 1 3 340.512 1.610 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358125604 151280172 /nfs/dbraw/zinc/28/01/72/151280172.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 1 3 340.512 1.610 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000358488270 151392747 /nfs/dbraw/zinc/39/27/47/151392747.db2.gz AOACDHGWGKKSAU-HNNXBMFYSA-N 1 3 333.480 1.890 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000358488270 151392748 /nfs/dbraw/zinc/39/27/48/151392748.db2.gz AOACDHGWGKKSAU-HNNXBMFYSA-N 1 3 333.480 1.890 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000359739910 151805031 /nfs/dbraw/zinc/80/50/31/151805031.db2.gz OCUCFQXNTYNNCE-WBVHZDCISA-N 1 3 343.537 1.333 20 0 EDADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1(C)C ZINC000361238613 152342914 /nfs/dbraw/zinc/34/29/14/152342914.db2.gz VBZKOGQLIBKFOV-MSOLQXFVSA-N 1 3 341.540 1.558 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CCN1CCCOCC1 ZINC000361376981 152376503 /nfs/dbraw/zinc/37/65/03/152376503.db2.gz NLMAYWUDUZCSBO-UHFFFAOYSA-N 1 3 326.529 1.058 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCN1CCCOCC1 ZINC000361376981 152376504 /nfs/dbraw/zinc/37/65/04/152376504.db2.gz NLMAYWUDUZCSBO-UHFFFAOYSA-N 1 3 326.529 1.058 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@@H](C[NH3+])C1 ZINC000417197197 304383473 /nfs/dbraw/zinc/38/34/73/304383473.db2.gz PYKWDXKRGOIAOP-RCCFBDPRSA-N 1 3 348.491 1.307 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283284 154065958 /nfs/dbraw/zinc/06/59/58/154065958.db2.gz UIQZLKOVSDPLKT-IRXDYDNUSA-N 1 3 347.459 1.090 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283284 154065960 /nfs/dbraw/zinc/06/59/60/154065960.db2.gz UIQZLKOVSDPLKT-IRXDYDNUSA-N 1 3 347.459 1.090 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367408205 154110267 /nfs/dbraw/zinc/11/02/67/154110267.db2.gz PMUIWAGGWGERIE-GOSISDBHSA-N 1 3 335.492 1.624 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1OCCN(C)C ZINC000417357668 304394492 /nfs/dbraw/zinc/39/44/92/304394492.db2.gz GUENFMGPULSRSZ-GDBMZVCRSA-N 1 3 334.464 1.424 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000417379041 304395373 /nfs/dbraw/zinc/39/53/73/304395373.db2.gz IPYXAKVXGIMTHQ-OAHLLOKOSA-N 1 3 336.505 1.963 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395571 155012482 /nfs/dbraw/zinc/01/24/82/155012482.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395571 155012484 /nfs/dbraw/zinc/01/24/84/155012484.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 1 3 338.496 1.269 20 0 EDADHO COCCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000417442010 292348999 /nfs/dbraw/zinc/34/89/99/292348999.db2.gz SDOPVQJSNAESAI-USXIJHARSA-N 1 3 338.496 1.256 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000378361602 158152560 /nfs/dbraw/zinc/15/25/60/158152560.db2.gz SMKQPYSDLVCFIV-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO CNC(=O)c1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378369030 158155282 /nfs/dbraw/zinc/15/52/82/158155282.db2.gz JFQXDFJIHDVMJN-MRXNPFEDSA-N 1 3 344.503 1.647 20 0 EDADHO CNC(=O)c1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378369030 158155284 /nfs/dbraw/zinc/15/52/84/158155284.db2.gz JFQXDFJIHDVMJN-MRXNPFEDSA-N 1 3 344.503 1.647 20 0 EDADHO CNC(=O)c1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378369030 158155286 /nfs/dbraw/zinc/15/52/86/158155286.db2.gz JFQXDFJIHDVMJN-MRXNPFEDSA-N 1 3 344.503 1.647 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000423751875 304908078 /nfs/dbraw/zinc/90/80/78/304908078.db2.gz BWIZWKPXRFHGCH-UHFFFAOYSA-N 1 3 327.469 1.143 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000417941028 304435304 /nfs/dbraw/zinc/43/53/04/304435304.db2.gz ADUOZKYFEMCUOU-JKSUJKDBSA-N 1 3 349.479 1.339 20 0 EDADHO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H](c1ccccc1)N(C)C ZINC000418192065 304463183 /nfs/dbraw/zinc/46/31/83/304463183.db2.gz YFHNXTYSVWDAPL-UBHSHLNASA-N 1 3 328.407 1.960 20 0 EDADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000168100162 226208109 /nfs/dbraw/zinc/20/81/09/226208109.db2.gz KEDUDBXECAEWGT-MSOLQXFVSA-N 1 3 331.460 1.158 20 0 EDADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422789117 296941717 /nfs/dbraw/zinc/94/17/17/296941717.db2.gz AYKNLMIBZIYACK-HSFUPAIVSA-N 1 3 339.524 1.621 20 0 EDADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418496776 304503619 /nfs/dbraw/zinc/50/36/19/304503619.db2.gz GHAPPQXHYGOQFS-ZWKOTPCHSA-N 1 3 341.459 1.042 20 0 EDADHO C[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H]1C[NH3+] ZINC000237616963 273011206 /nfs/dbraw/zinc/01/12/06/273011206.db2.gz AULKMUFPLCKJLV-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275492747 268351086 /nfs/dbraw/zinc/35/10/86/268351086.db2.gz PSLDAUVPJVCEJT-OAHLLOKOSA-N 1 3 346.475 1.139 20 0 EDADHO Nc1ccncc1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000275637490 268367403 /nfs/dbraw/zinc/36/74/03/268367403.db2.gz KAJYIYGWKKBAEG-UHFFFAOYSA-N 1 3 340.431 1.001 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186661864 272946249 /nfs/dbraw/zinc/94/62/49/272946249.db2.gz PVURAJAUCMXSHM-CRAIPNDOSA-N 1 3 330.476 1.556 20 0 EDADHO CN(C)CCN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)c1ccccc1 ZINC000278931987 273273119 /nfs/dbraw/zinc/27/31/19/273273119.db2.gz FEXVNKMBLVWUHQ-AWEZNQCLSA-N 1 3 327.432 1.695 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000348640365 275512712 /nfs/dbraw/zinc/51/27/12/275512712.db2.gz HLLBQXQIVFOPMG-GDBMZVCRSA-N 1 3 345.553 1.947 20 0 EDADHO CN1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000417943853 277166730 /nfs/dbraw/zinc/16/67/30/277166730.db2.gz PHRVQFUQXSNNSF-ROUUACIJSA-N 1 3 345.491 1.026 20 0 EDADHO CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000269241186 277300185 /nfs/dbraw/zinc/30/01/85/277300185.db2.gz QWOQTHKUJQBUHW-QGZVFWFLSA-N 1 3 331.460 1.318 20 0 EDADHO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741155 277354192 /nfs/dbraw/zinc/35/41/92/277354192.db2.gz CNZPTGATTULWON-WMRANVBESA-N 1 3 335.492 1.331 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000125828350 277399112 /nfs/dbraw/zinc/39/91/12/277399112.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000125828350 277399114 /nfs/dbraw/zinc/39/91/14/277399114.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[C@@H](N[C@@H]1CCCc2nn(C)cc21)C(=O)NCC[NH+](C)C ZINC000358978422 277444890 /nfs/dbraw/zinc/44/48/90/277444890.db2.gz CQANRJIAOLAQRA-NVXWUHKLSA-N 1 3 335.496 1.480 20 0 EDADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321346 278351573 /nfs/dbraw/zinc/35/15/73/278351573.db2.gz RJZGZGFYMZBHDZ-HOTGVXAUSA-N 1 3 333.480 1.341 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358317084 279071283 /nfs/dbraw/zinc/07/12/83/279071283.db2.gz KDUNTFBDPYSWGW-USXIJHARSA-N 1 3 325.497 1.601 20 0 EDADHO CC[NH+]1CCC(N[C@H]2CCC(=O)N(C3CC3)[C@H]2c2cncn2C)CC1 ZINC000344861496 279262496 /nfs/dbraw/zinc/26/24/96/279262496.db2.gz ZGHXGGQRBWHESJ-QFBILLFUSA-N 1 3 345.491 1.689 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCOC1 ZINC000074131965 279302726 /nfs/dbraw/zinc/30/27/26/279302726.db2.gz BIJPDBLMWPTWTP-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCOC1 ZINC000074131965 279302727 /nfs/dbraw/zinc/30/27/27/279302727.db2.gz BIJPDBLMWPTWTP-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CCN(Cc2ccccc2CN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893478 279363676 /nfs/dbraw/zinc/36/36/76/279363676.db2.gz QSJBKRYXDYCWAV-ROUUACIJSA-N 1 3 330.520 1.912 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123504 288162601 /nfs/dbraw/zinc/16/26/01/288162601.db2.gz ZCSWUGHBULKXAW-OWCLPIDISA-N 1 3 326.485 1.304 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366407058 280021445 /nfs/dbraw/zinc/02/14/45/280021445.db2.gz DDKCXCZVUCNGHM-GJZGRUSLSA-N 1 3 329.448 1.304 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366407058 280021449 /nfs/dbraw/zinc/02/14/49/280021449.db2.gz DDKCXCZVUCNGHM-GJZGRUSLSA-N 1 3 329.448 1.304 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H](N)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692027 280251564 /nfs/dbraw/zinc/25/15/64/280251564.db2.gz HPXYPMWVTIFJSM-DLBZAZTESA-N 1 3 325.497 1.613 20 0 EDADHO CC[NH+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000287421508 288234675 /nfs/dbraw/zinc/23/46/75/288234675.db2.gz YHRNBTCSSNVVIL-KRWDZBQOSA-N 1 3 336.480 1.939 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000261604679 289058144 /nfs/dbraw/zinc/05/81/44/289058144.db2.gz CKEOIENEXOJHDX-QMTMVMCOSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286812 /nfs/dbraw/zinc/28/68/12/289286812.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 1 3 336.524 1.486 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286813 /nfs/dbraw/zinc/28/68/13/289286813.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 1 3 336.524 1.486 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000348131115 293876653 /nfs/dbraw/zinc/87/66/53/293876653.db2.gz ZVIJPBQNVBTCDA-HRCADAONSA-N 1 3 326.485 1.221 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000344039053 295224188 /nfs/dbraw/zinc/22/41/88/295224188.db2.gz AVJRVTUSPUPULA-SQNIBIBYSA-N 1 3 347.459 1.026 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000360694198 295577584 /nfs/dbraw/zinc/57/75/84/295577584.db2.gz MAARIYCMEBCIII-ZIAGYGMSSA-N 1 3 328.526 1.405 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609082 304518450 /nfs/dbraw/zinc/51/84/50/304518450.db2.gz SGCBYIOKWDTQBA-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)N1CCCCCC1 ZINC000366414234 298063996 /nfs/dbraw/zinc/06/39/96/298063996.db2.gz MYBHLWOPNFGSIF-XMTFNYHQSA-N 1 3 337.508 1.961 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000651196673 453352282 /nfs/dbraw/zinc/35/22/82/453352282.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 1 3 328.501 1.110 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000651196673 453352297 /nfs/dbraw/zinc/35/22/97/453352297.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 1 3 328.501 1.110 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372877322 447331796 /nfs/dbraw/zinc/33/17/96/447331796.db2.gz KOLKEYOYHQYUHJ-YIOZNXECSA-N 1 3 337.508 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372877322 447331805 /nfs/dbraw/zinc/33/18/05/447331805.db2.gz KOLKEYOYHQYUHJ-YIOZNXECSA-N 1 3 337.508 1.709 20 0 EDADHO CC1(C)COCCN1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422703448 304878703 /nfs/dbraw/zinc/87/87/03/304878703.db2.gz HUTHGVKVAXHXLU-YLJYHZDGSA-N 1 3 345.487 1.943 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720333 304879128 /nfs/dbraw/zinc/87/91/28/304879128.db2.gz SIJWZNWUHSLHAK-SJORKVTESA-N 1 3 332.496 1.096 20 0 EDADHO C[NH2+][C@@H]1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430627088 305060043 /nfs/dbraw/zinc/06/00/43/305060043.db2.gz SLWMIHOTGCMIQK-VQIMIIECSA-N 1 3 344.503 1.449 20 0 EDADHO Cc1c(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742237 305063735 /nfs/dbraw/zinc/06/37/35/305063735.db2.gz KYJNZQYTQPOTBG-KBPBESRZSA-N 1 3 348.495 1.504 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000433122197 305101128 /nfs/dbraw/zinc/10/11/28/305101128.db2.gz UWADKCHJJLXMJW-GOSISDBHSA-N 1 3 333.476 1.490 20 0 EDADHO C[C@H]1NCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000434670619 305126941 /nfs/dbraw/zinc/12/69/41/305126941.db2.gz DAVGENBAWMFMOE-QZTJIDSGSA-N 1 3 344.503 1.798 20 0 EDADHO CN(C)C1(CNC(=O)C[C@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC000434876415 305132007 /nfs/dbraw/zinc/13/20/07/305132007.db2.gz JSVXEKKTAVHHPL-INIZCTEOSA-N 1 3 333.501 1.297 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512375 305208756 /nfs/dbraw/zinc/20/87/56/305208756.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512375 305208757 /nfs/dbraw/zinc/20/87/57/305208757.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000442144581 305226056 /nfs/dbraw/zinc/22/60/56/305226056.db2.gz IGPIPDKLUJEOMP-PBHICJAKSA-N 1 3 346.475 1.328 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(N3CCCC3)nc2)CC1 ZINC000532119824 305974118 /nfs/dbraw/zinc/97/41/18/305974118.db2.gz DYMYUQQYESQBMR-UHFFFAOYSA-N 1 3 333.480 1.402 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000548785128 306138031 /nfs/dbraw/zinc/13/80/31/306138031.db2.gz BNGBGYDJPOIYTB-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000548951792 306142679 /nfs/dbraw/zinc/14/26/79/306142679.db2.gz SXZQEUOGCFYFFJ-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000426210184 447399254 /nfs/dbraw/zinc/39/92/54/447399254.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210184 447399258 /nfs/dbraw/zinc/39/92/58/447399258.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415424287 447424691 /nfs/dbraw/zinc/42/46/91/447424691.db2.gz HUAPHJNPCKGBPD-MRXNPFEDSA-N 1 3 334.464 1.219 20 0 EDADHO CC(C)COC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378424419 447426641 /nfs/dbraw/zinc/42/66/41/447426641.db2.gz DWFGQCCSCYITQB-MSOLQXFVSA-N 1 3 327.513 1.120 20 0 EDADHO CC(C)COC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378424419 447426647 /nfs/dbraw/zinc/42/66/47/447426647.db2.gz DWFGQCCSCYITQB-MSOLQXFVSA-N 1 3 327.513 1.120 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426390198 447433423 /nfs/dbraw/zinc/43/34/23/447433423.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426390198 447433428 /nfs/dbraw/zinc/43/34/28/447433428.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO C[C@H](Oc1cccc(F)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212332 441177744 /nfs/dbraw/zinc/17/77/44/441177744.db2.gz GHXUVTMKUKBWHA-AWEZNQCLSA-N 1 3 325.428 1.545 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)c1cnn(CCN2CCCCC2)c1 ZINC000081231021 441241560 /nfs/dbraw/zinc/24/15/60/441241560.db2.gz RWRZSZUKLMTFKD-UHFFFAOYSA-N 1 3 333.480 1.585 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccnc2)CC1 ZINC000072816750 441262195 /nfs/dbraw/zinc/26/21/95/441262195.db2.gz KWWAAMMDDKKABL-UHFFFAOYSA-N 1 3 330.476 1.896 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000048773303 441331459 /nfs/dbraw/zinc/33/14/59/441331459.db2.gz GNLHHFKMBLODJB-UHFFFAOYSA-N 1 3 346.475 1.676 20 0 EDADHO CC[NH+]1CCC(N(C)C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388599 441336397 /nfs/dbraw/zinc/33/63/97/441336397.db2.gz IXBVXMDULCSMMI-SFHVURJKSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000106382989 441336409 /nfs/dbraw/zinc/33/64/09/441336409.db2.gz SMJNXMJMUWDVSN-ZHALLVOQSA-N 1 3 339.524 1.264 20 0 EDADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000107387341 441414369 /nfs/dbraw/zinc/41/43/69/441414369.db2.gz VKYRYSRBBGWWJX-UHFFFAOYSA-N 1 3 333.480 1.639 20 0 EDADHO COCCN(C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107844923 441432305 /nfs/dbraw/zinc/43/23/05/441432305.db2.gz FOHCTZCVMUFCMA-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)[C@@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000114381740 441650793 /nfs/dbraw/zinc/65/07/93/441650793.db2.gz QPFBCSVXFJQPLX-LJQANCHMSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042056643 441700733 /nfs/dbraw/zinc/70/07/33/441700733.db2.gz NLRHMBCLODPSAD-IAGOWNOFSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000042056643 441700736 /nfs/dbraw/zinc/70/07/36/441700736.db2.gz NLRHMBCLODPSAD-IAGOWNOFSA-N 1 3 344.459 1.430 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000137104913 441747384 /nfs/dbraw/zinc/74/73/84/441747384.db2.gz CLPGKEKTZHRBPY-DLBZAZTESA-N 1 3 327.513 1.872 20 0 EDADHO CN(c1ccccc1CN1CCC(C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000158615151 441749836 /nfs/dbraw/zinc/74/98/36/441749836.db2.gz ZJLSBGQMCAMZAR-UHFFFAOYSA-N 1 3 344.503 1.914 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000093135323 441859012 /nfs/dbraw/zinc/85/90/12/441859012.db2.gz QHVPDJLBAAEDIC-HNNXBMFYSA-N 1 3 333.480 1.937 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000124480425 441930245 /nfs/dbraw/zinc/93/02/45/441930245.db2.gz IRIOGGCJEUEGBE-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000151811158 442123863 /nfs/dbraw/zinc/12/38/63/442123863.db2.gz WIMMRLDSNAXMPV-FGTMMUONSA-N 1 3 338.540 1.590 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000151811158 442123866 /nfs/dbraw/zinc/12/38/66/442123866.db2.gz WIMMRLDSNAXMPV-FGTMMUONSA-N 1 3 338.540 1.590 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000163350457 442159972 /nfs/dbraw/zinc/15/99/72/442159972.db2.gz NPYAEDSWKHYMAN-ZHALLVOQSA-N 1 3 344.503 1.654 20 0 EDADHO CN(CCN1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703299 442222195 /nfs/dbraw/zinc/22/21/95/442222195.db2.gz OTXVZMJJQOFVPD-LJQANCHMSA-N 1 3 344.503 1.405 20 0 EDADHO CN(CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699490 442222297 /nfs/dbraw/zinc/22/22/97/442222297.db2.gz NISOLYYGLHGTJN-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CCC[NH2+]CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000154183871 442325399 /nfs/dbraw/zinc/32/53/99/442325399.db2.gz PDOMPWAHQOQQFU-UHFFFAOYSA-N 1 3 332.492 1.705 20 0 EDADHO CCNC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177481844 442348056 /nfs/dbraw/zinc/34/80/56/442348056.db2.gz ATVIFJZCPRFLCG-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171902953 442388629 /nfs/dbraw/zinc/38/86/29/442388629.db2.gz OTRFEXQAYDSTGC-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000132771725 442399536 /nfs/dbraw/zinc/39/95/36/442399536.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000132771725 442399537 /nfs/dbraw/zinc/39/95/37/442399537.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCC[NH2+]C2)ccc1OCCN(C)C ZINC000178719956 442462929 /nfs/dbraw/zinc/46/29/29/442462929.db2.gz UGAJOVYHMXUOGH-OAHLLOKOSA-N 1 3 335.448 1.251 20 0 EDADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839995 442694570 /nfs/dbraw/zinc/69/45/70/442694570.db2.gz ZTGATISOFODOEE-YOEHRIQHSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839995 442694572 /nfs/dbraw/zinc/69/45/72/442694572.db2.gz ZTGATISOFODOEE-YOEHRIQHSA-N 1 3 343.537 1.511 20 0 EDADHO CO[C@H](C)[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000188023327 442703406 /nfs/dbraw/zinc/70/34/06/442703406.db2.gz FGAXKAMXIXHCGM-UONOGXRCSA-N 1 3 326.485 1.268 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170398 442719830 /nfs/dbraw/zinc/71/98/30/442719830.db2.gz KDLHFGFJUVHVHZ-FQEVSTJZSA-N 1 3 345.487 1.424 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000246576396 442794136 /nfs/dbraw/zinc/79/41/36/442794136.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000246576396 442794139 /nfs/dbraw/zinc/79/41/39/442794139.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 1 3 334.508 1.987 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000246384327 442777358 /nfs/dbraw/zinc/77/73/58/442777358.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246384327 442777361 /nfs/dbraw/zinc/77/73/61/442777361.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194090043 442844777 /nfs/dbraw/zinc/84/47/77/442844777.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194090043 442844780 /nfs/dbraw/zinc/84/47/80/442844780.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000247657091 442864028 /nfs/dbraw/zinc/86/40/28/442864028.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000247657091 442864032 /nfs/dbraw/zinc/86/40/32/442864032.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)[C@H](C)C1 ZINC000189162992 442889301 /nfs/dbraw/zinc/88/93/01/442889301.db2.gz DZZDUMXIODBCFX-PBHICJAKSA-N 1 3 340.489 1.273 20 0 EDADHO CCN(C(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000182952453 442853787 /nfs/dbraw/zinc/85/37/87/442853787.db2.gz FZQRLNQRRDVWBK-GOSISDBHSA-N 1 3 346.519 1.997 20 0 EDADHO CCN(C(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000182952473 442853832 /nfs/dbraw/zinc/85/38/32/442853832.db2.gz FZQRLNQRRDVWBK-SFHVURJKSA-N 1 3 346.519 1.997 20 0 EDADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000189296379 442915618 /nfs/dbraw/zinc/91/56/18/442915618.db2.gz MCZKMPFWEXLWFC-ZWKOTPCHSA-N 1 3 347.459 1.867 20 0 EDADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000265779738 442917716 /nfs/dbraw/zinc/91/77/16/442917716.db2.gz VBDBQCVMROWGED-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194720834 442942251 /nfs/dbraw/zinc/94/22/51/442942251.db2.gz CJLODIZKUYLFGB-UHFFFAOYSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000623087879 450398003 /nfs/dbraw/zinc/39/80/03/450398003.db2.gz MRXHZABXWAASBU-UHFFFAOYSA-N 1 3 330.480 1.455 20 0 EDADHO CCOCCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189957780 443037226 /nfs/dbraw/zinc/03/72/26/443037226.db2.gz CZYSNPHUOOTCLE-IAGOWNOFSA-N 1 3 347.503 1.885 20 0 EDADHO CC(C)[NH2+]C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000184600520 443047293 /nfs/dbraw/zinc/04/72/93/443047293.db2.gz LYLWGSGMFWWMEI-IBGZPJMESA-N 1 3 346.519 1.868 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185046656 443124372 /nfs/dbraw/zinc/12/43/72/443124372.db2.gz JOQMIODHYXBZLO-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)Cc1ccccc1 ZINC000237198716 443163473 /nfs/dbraw/zinc/16/34/73/443163473.db2.gz RUCDMWCWHBHJIQ-RBUKOAKNSA-N 1 3 325.456 1.846 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc2)CC1 ZINC000236895199 443151621 /nfs/dbraw/zinc/15/16/21/443151621.db2.gz WSVJOBVSEUWNLT-LJQANCHMSA-N 1 3 332.492 1.932 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000268936148 443152665 /nfs/dbraw/zinc/15/26/65/443152665.db2.gz YQXQGWDWPZFIIZ-AYOQOUSVSA-N 1 3 328.460 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000268936148 443152669 /nfs/dbraw/zinc/15/26/69/443152669.db2.gz YQXQGWDWPZFIIZ-AYOQOUSVSA-N 1 3 328.460 1.954 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411785497 319203748 /nfs/dbraw/zinc/20/37/48/319203748.db2.gz CKRRDBUOYWFYSZ-RRQGHBQHSA-N 1 3 325.497 1.625 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000413935574 319304883 /nfs/dbraw/zinc/30/48/83/319304883.db2.gz DTMQFPDLGCGERE-ZFWWWQNUSA-N 1 3 335.448 1.772 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000413935574 319304885 /nfs/dbraw/zinc/30/48/85/319304885.db2.gz DTMQFPDLGCGERE-ZFWWWQNUSA-N 1 3 335.448 1.772 20 0 EDADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414190599 319318439 /nfs/dbraw/zinc/31/84/39/319318439.db2.gz KQFJYRQQIZUNAR-SJORKVTESA-N 1 3 339.524 1.576 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892323 319382148 /nfs/dbraw/zinc/38/21/48/319382148.db2.gz IFJQMDPPYNSFMA-KRWDZBQOSA-N 1 3 332.448 1.301 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1F)CCNC2 ZINC000415956322 319384816 /nfs/dbraw/zinc/38/48/16/319384816.db2.gz NSDKPDDOFLWPBR-UHFFFAOYSA-N 1 3 329.379 1.522 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000416850270 319466211 /nfs/dbraw/zinc/46/62/11/319466211.db2.gz ZLNLOQNQGOSMCC-MSOLQXFVSA-N 1 3 348.491 1.829 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590239 443375087 /nfs/dbraw/zinc/37/50/87/443375087.db2.gz RVJCWPVCWSQHNO-DOTOQJQBSA-N 1 3 341.459 1.640 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNC(=O)c1ccn[nH]1 ZINC000272590239 443375092 /nfs/dbraw/zinc/37/50/92/443375092.db2.gz RVJCWPVCWSQHNO-DOTOQJQBSA-N 1 3 341.459 1.640 20 0 EDADHO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000422552713 319714359 /nfs/dbraw/zinc/71/43/59/319714359.db2.gz IFXVGXFOBCNPLP-IJEWVQPXSA-N 1 3 339.505 1.742 20 0 EDADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950943 319740862 /nfs/dbraw/zinc/74/08/62/319740862.db2.gz XFGTXSFBCLAKAI-NOLJZWGESA-N 1 3 325.478 1.715 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423742640 319809197 /nfs/dbraw/zinc/80/91/97/319809197.db2.gz JECSYECDEZGPKM-WFASDCNBSA-N 1 3 325.403 1.982 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441041590 320086372 /nfs/dbraw/zinc/08/63/72/320086372.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441041590 320086373 /nfs/dbraw/zinc/08/63/73/320086373.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CN(CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000453646389 320266732 /nfs/dbraw/zinc/26/67/32/320266732.db2.gz QISUAORLOJJRAR-KRWDZBQOSA-N 1 3 344.459 1.384 20 0 EDADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000479295235 320355125 /nfs/dbraw/zinc/35/51/25/320355125.db2.gz KPIMINGKLWANIO-GGPKGHCWSA-N 1 3 343.471 1.224 20 0 EDADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1)N(C)C ZINC000298351241 443752411 /nfs/dbraw/zinc/75/24/11/443752411.db2.gz MTWTVUSDSMWTTB-ZIAGYGMSSA-N 1 3 334.464 1.046 20 0 EDADHO C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)s1)N(C)C ZINC000298608279 443815980 /nfs/dbraw/zinc/81/59/80/443815980.db2.gz IZDMNHUUJSYRPI-VXGBXAGGSA-N 1 3 340.493 1.108 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000546042432 320808110 /nfs/dbraw/zinc/80/81/10/320808110.db2.gz OAWQJDNWMNZGHV-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277305737 443958617 /nfs/dbraw/zinc/95/86/17/443958617.db2.gz ULALJJSNMFPNQV-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277305737 443958620 /nfs/dbraw/zinc/95/86/20/443958620.db2.gz ULALJJSNMFPNQV-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(=O)n(C)c3)CC2)CC1 ZINC000557552853 321005563 /nfs/dbraw/zinc/00/55/63/321005563.db2.gz NAJQSDJACMZMEP-UHFFFAOYSA-N 1 3 346.475 1.520 20 0 EDADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CCN(C)C ZINC000562915504 321081271 /nfs/dbraw/zinc/08/12/71/321081271.db2.gz QFFLUPGKPHMIHB-GJZGRUSLSA-N 1 3 334.468 1.535 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563093295 321094767 /nfs/dbraw/zinc/09/47/67/321094767.db2.gz ZUYQUBSSUITHFU-RHSMWYFYSA-N 1 3 333.480 1.610 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)COC)CC2)CC1 ZINC000563404456 321109138 /nfs/dbraw/zinc/10/91/38/321109138.db2.gz UVSGLCFSVGYHRM-UHFFFAOYSA-N 1 3 339.524 1.972 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CC)CO)CC2)CC1 ZINC000563972058 321118497 /nfs/dbraw/zinc/11/84/97/321118497.db2.gz JWSYEJBVQNFSTA-GOSISDBHSA-N 1 3 325.497 1.460 20 0 EDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824070 321150171 /nfs/dbraw/zinc/15/01/71/321150171.db2.gz SUSTWGKRGNYOJX-IRXDYDNUSA-N 1 3 345.491 1.370 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000565999556 321209558 /nfs/dbraw/zinc/20/95/58/321209558.db2.gz IPGKWYMICAQFBX-MRXNPFEDSA-N 1 3 345.491 1.987 20 0 EDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000566211805 321222516 /nfs/dbraw/zinc/22/25/16/321222516.db2.gz KTHYOYSZLCNDLS-FCWGVCEXSA-N 1 3 342.487 1.926 20 0 EDADHO CN1CCN(CCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000567983114 321271202 /nfs/dbraw/zinc/27/12/02/321271202.db2.gz OXYSGDRYXDWELX-SFHVURJKSA-N 1 3 338.540 1.818 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3cn[nH]c3)CC2)CC1 ZINC000568202317 321280466 /nfs/dbraw/zinc/28/04/66/321280466.db2.gz JTVVZULHKWUZRQ-CQSZACIVSA-N 1 3 333.480 1.783 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCCC(=O)NC(N)=O)C1 ZINC000569474911 321327051 /nfs/dbraw/zinc/32/70/51/321327051.db2.gz VXEDQXBONCTZLP-CQSZACIVSA-N 1 3 332.448 1.593 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCCC(=O)NC(N)=O)C1 ZINC000569474911 321327052 /nfs/dbraw/zinc/32/70/52/321327052.db2.gz VXEDQXBONCTZLP-CQSZACIVSA-N 1 3 332.448 1.593 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C[C@@H](O)c1cc(F)ccc1F ZINC000289398606 444130493 /nfs/dbraw/zinc/13/04/93/444130493.db2.gz KUELRTQSOASRBI-QGZVFWFLSA-N 1 3 329.435 1.814 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C[C@@H](O)c1cc(F)ccc1F ZINC000289398606 444130498 /nfs/dbraw/zinc/13/04/98/444130498.db2.gz KUELRTQSOASRBI-QGZVFWFLSA-N 1 3 329.435 1.814 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290148966 444248373 /nfs/dbraw/zinc/24/83/73/444248373.db2.gz VOCXSZAVHNIFGZ-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290148966 444248375 /nfs/dbraw/zinc/24/83/75/444248375.db2.gz VOCXSZAVHNIFGZ-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290408396 444276833 /nfs/dbraw/zinc/27/68/33/444276833.db2.gz UDBSOCVETGWEGC-CQSZACIVSA-N 1 3 334.464 1.532 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290408396 444276836 /nfs/dbraw/zinc/27/68/36/444276836.db2.gz UDBSOCVETGWEGC-CQSZACIVSA-N 1 3 334.464 1.532 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000337801259 444414032 /nfs/dbraw/zinc/41/40/32/444414032.db2.gz HSBSWVFLHXHRQR-SQNIBIBYSA-N 1 3 349.475 1.319 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000337811691 444418490 /nfs/dbraw/zinc/41/84/90/444418490.db2.gz OIZPSVWUTNJLHN-GDBMZVCRSA-N 1 3 328.526 1.455 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000337811691 444418496 /nfs/dbraw/zinc/41/84/96/444418496.db2.gz OIZPSVWUTNJLHN-GDBMZVCRSA-N 1 3 328.526 1.455 20 0 EDADHO CS(=O)(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCC1 ZINC000298130456 444424850 /nfs/dbraw/zinc/42/48/50/444424850.db2.gz PYJIXIAJUNTMRI-UHFFFAOYSA-N 1 3 337.489 1.997 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000579815047 321973388 /nfs/dbraw/zinc/97/33/88/321973388.db2.gz YCVGUWDUHSFZDX-GOSISDBHSA-N 1 3 344.503 1.902 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000580341003 322039935 /nfs/dbraw/zinc/03/99/35/322039935.db2.gz JGJHSVKYNALCJA-ILXRZTDVSA-N 1 3 334.464 1.313 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000580341003 322039938 /nfs/dbraw/zinc/03/99/38/322039938.db2.gz JGJHSVKYNALCJA-ILXRZTDVSA-N 1 3 334.464 1.313 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580941582 322114611 /nfs/dbraw/zinc/11/46/11/322114611.db2.gz VGKIPMFDRYXGIU-IBGZPJMESA-N 1 3 346.475 1.522 20 0 EDADHO CCOCCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000581244194 322153753 /nfs/dbraw/zinc/15/37/53/322153753.db2.gz OQXOPFMOSVMFLU-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCOC2(CNC2)C1 ZINC000581597136 322196612 /nfs/dbraw/zinc/19/66/12/322196612.db2.gz IRZJLWKWYPWTEZ-UHFFFAOYSA-N 1 3 344.459 1.166 20 0 EDADHO COCCCN(C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000340883377 444557551 /nfs/dbraw/zinc/55/75/51/444557551.db2.gz BGOOOLPCLZNHSN-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340941647 444588050 /nfs/dbraw/zinc/58/80/50/444588050.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000340941647 444588053 /nfs/dbraw/zinc/58/80/53/444588053.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH+]1CCCC1 ZINC000340985512 444616219 /nfs/dbraw/zinc/61/62/19/444616219.db2.gz BVQUMXXNXSVNKB-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CN1C1CC1 ZINC000333430190 444667682 /nfs/dbraw/zinc/66/76/82/444667682.db2.gz UKSBAQIBJKYGNA-UOJCXKCYSA-N 1 3 336.480 1.149 20 0 EDADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N(C)C1CC1 ZINC000333439096 444671430 /nfs/dbraw/zinc/67/14/30/444671430.db2.gz VUHHRMOTYVCNNO-COXVUDFISA-N 1 3 338.496 1.397 20 0 EDADHO O=C1Nc2ccccc2C12CCC(NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000333866472 444705118 /nfs/dbraw/zinc/70/51/18/444705118.db2.gz TVPWVNSVFQKNRI-HVEKOLDVSA-N 1 3 329.444 1.787 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333902628 444713686 /nfs/dbraw/zinc/71/36/86/444713686.db2.gz BXLYNTDHHZVPML-QGZVFWFLSA-N 1 3 344.459 1.035 20 0 EDADHO [NH3+]C1(CNC(=O)N2CCN3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333914642 444717258 /nfs/dbraw/zinc/71/72/58/444717258.db2.gz MKPXDYXBODJNHU-CMPFZWEDSA-N 1 3 332.492 1.630 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000342757584 444851004 /nfs/dbraw/zinc/85/10/04/444851004.db2.gz SXVXPLKQKTUHPL-ZWKOTPCHSA-N 1 3 333.476 1.812 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000344186755 444827801 /nfs/dbraw/zinc/82/78/01/444827801.db2.gz LFLYHLPVEQQLFA-UHFFFAOYSA-N 1 3 343.431 1.678 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC000336881309 444829184 /nfs/dbraw/zinc/82/91/84/444829184.db2.gz SPSYLVGXZDBGQK-QGZVFWFLSA-N 1 3 340.512 1.056 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)CNC(=O)[C@H](N)C(C)C)CC1 ZINC000336881309 444829187 /nfs/dbraw/zinc/82/91/87/444829187.db2.gz SPSYLVGXZDBGQK-QGZVFWFLSA-N 1 3 340.512 1.056 20 0 EDADHO CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723965 444971598 /nfs/dbraw/zinc/97/15/98/444971598.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 1 3 333.484 1.396 20 0 EDADHO CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723965 444971599 /nfs/dbraw/zinc/97/15/99/444971599.db2.gz ULFVWAXTBMGLIV-OLZOCXBDSA-N 1 3 333.484 1.396 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697608 445223842 /nfs/dbraw/zinc/22/38/42/445223842.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 1 3 337.508 1.819 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697608 445223843 /nfs/dbraw/zinc/22/38/43/445223843.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 1 3 337.508 1.819 20 0 EDADHO CCN1CCC[C@@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000351768499 445314516 /nfs/dbraw/zinc/31/45/16/445314516.db2.gz WMTBYAAMQIEMKF-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000354678853 445337354 /nfs/dbraw/zinc/33/73/54/445337354.db2.gz WMRSNIDELPCFMW-IRXDYDNUSA-N 1 3 346.475 1.184 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ccn(C)n2)CC1 ZINC000354680718 445338310 /nfs/dbraw/zinc/33/83/10/445338310.db2.gz SYCJRZBNJGGSMI-UHFFFAOYSA-N 1 3 327.476 1.894 20 0 EDADHO Cc1nccn1CCCN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000348757010 445364103 /nfs/dbraw/zinc/36/41/03/445364103.db2.gz RYEKUUUGGCDUQO-QGZVFWFLSA-N 1 3 342.491 1.959 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000348848025 445414157 /nfs/dbraw/zinc/41/41/57/445414157.db2.gz MAJBFTHWESJKIZ-UHFFFAOYSA-N 1 3 338.540 1.058 20 0 EDADHO [NH3+]CCOCCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000357103632 445430116 /nfs/dbraw/zinc/43/01/16/445430116.db2.gz KMADDXOFQQQOHM-CQSZACIVSA-N 1 3 338.427 1.635 20 0 EDADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000354959134 445436034 /nfs/dbraw/zinc/43/60/34/445436034.db2.gz NSUAKHGPRDGZPM-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000354959134 445436039 /nfs/dbraw/zinc/43/60/39/445436039.db2.gz NSUAKHGPRDGZPM-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCN(Cc2ccccc2)CC1 ZINC000362554602 445437096 /nfs/dbraw/zinc/43/70/96/445437096.db2.gz YVGQGNUMRIXYMJ-MRXNPFEDSA-N 1 3 339.443 1.445 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000355446461 445460833 /nfs/dbraw/zinc/46/08/33/445460833.db2.gz PZAPIFBZCNLECF-BZSNNMDCSA-N 1 3 338.540 1.638 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802708 445556510 /nfs/dbraw/zinc/55/65/10/445556510.db2.gz VEMCCYRFPPTKFZ-HOCLYGCPSA-N 1 3 331.464 1.554 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451946 445607851 /nfs/dbraw/zinc/60/78/51/445607851.db2.gz QBEUTYIVGDXSJZ-MJGOQNOKSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353451946 445607854 /nfs/dbraw/zinc/60/78/54/445607854.db2.gz QBEUTYIVGDXSJZ-MJGOQNOKSA-N 1 3 331.460 1.475 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000353464734 445614182 /nfs/dbraw/zinc/61/41/82/445614182.db2.gz WKIYPOYKPJFRCS-CRAIPNDOSA-N 1 3 346.475 1.834 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353464734 445614186 /nfs/dbraw/zinc/61/41/86/445614186.db2.gz WKIYPOYKPJFRCS-CRAIPNDOSA-N 1 3 346.475 1.834 20 0 EDADHO CN(C)C[C@@H](O)COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362932386 445614711 /nfs/dbraw/zinc/61/47/11/445614711.db2.gz WKIQJLWIHUDBSR-QGZVFWFLSA-N 1 3 349.475 1.658 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000360154233 445598451 /nfs/dbraw/zinc/59/84/51/445598451.db2.gz PIXGWKIDTCKYMO-YLJYHZDGSA-N 1 3 330.520 1.864 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCn3cc(CO)nn3)CC2)C1 ZINC000353578469 445664293 /nfs/dbraw/zinc/66/42/93/445664293.db2.gz RUJGQXTVGHFVBT-QAPCUYQASA-N 1 3 335.496 1.793 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCn3cc(CO)nn3)CC2)C1 ZINC000353578469 445664298 /nfs/dbraw/zinc/66/42/98/445664298.db2.gz RUJGQXTVGHFVBT-QAPCUYQASA-N 1 3 335.496 1.793 20 0 EDADHO CCOC(=O)c1coc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000353628903 445682634 /nfs/dbraw/zinc/68/26/34/445682634.db2.gz URPNJNWOGPNPRM-CQSZACIVSA-N 1 3 338.448 1.981 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246284 445697204 /nfs/dbraw/zinc/69/72/04/445697204.db2.gz SNJCGKWUDXQSEL-XHSDSOJGSA-N 1 3 325.497 1.410 20 0 EDADHO COC1(C[C@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)CCC1 ZINC000353667307 445699725 /nfs/dbraw/zinc/69/97/25/445699725.db2.gz CHWPERITFPAOJA-INIZCTEOSA-N 1 3 325.497 1.916 20 0 EDADHO Cc1nc(C)c([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)s1 ZINC000361482147 445781523 /nfs/dbraw/zinc/78/15/23/445781523.db2.gz VDHPNCVLUDWNHH-CQSZACIVSA-N 1 3 340.537 1.801 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2cc(C)on2)C1 ZINC000350222385 445796218 /nfs/dbraw/zinc/79/62/18/445796218.db2.gz SCZNLAIVRISGCU-OAHLLOKOSA-N 1 3 338.452 1.744 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000356469151 445807986 /nfs/dbraw/zinc/80/79/86/445807986.db2.gz ZYLSKSGELPOEMF-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000356469151 445807990 /nfs/dbraw/zinc/80/79/90/445807990.db2.gz ZYLSKSGELPOEMF-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO C[N@H+](C[C@@H]1CC12CCN(C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046914 445990729 /nfs/dbraw/zinc/99/07/29/445990729.db2.gz XQCIFACBBKJDKR-CABCVRRESA-N 1 3 326.506 1.617 20 0 EDADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046914 445990733 /nfs/dbraw/zinc/99/07/33/445990733.db2.gz XQCIFACBBKJDKR-CABCVRRESA-N 1 3 326.506 1.617 20 0 EDADHO O[C@H](CCc1ccccc1)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000583258825 326035943 /nfs/dbraw/zinc/03/59/43/326035943.db2.gz UDWBGDSUYOJXMZ-AABGKKOBSA-N 1 3 332.488 1.948 20 0 EDADHO CCOCC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000369335125 446080275 /nfs/dbraw/zinc/08/02/75/446080275.db2.gz OPUGFQDLLJOHRO-SFHVURJKSA-N 1 3 327.513 1.264 20 0 EDADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000356904462 446110852 /nfs/dbraw/zinc/11/08/52/446110852.db2.gz TZUKRZJFXAHRNW-YTQUADARSA-N 1 3 347.503 1.680 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266793 446113293 /nfs/dbraw/zinc/11/32/93/446113293.db2.gz LSXYNBYNEXFVFN-TWMKSMIVSA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266793 446113297 /nfs/dbraw/zinc/11/32/97/446113297.db2.gz LSXYNBYNEXFVFN-TWMKSMIVSA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369681451 446146138 /nfs/dbraw/zinc/14/61/38/446146138.db2.gz LYNKXHDZBXBDFK-HNNXBMFYSA-N 1 3 348.495 2.146 20 0 EDADHO CN1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000365333928 446153102 /nfs/dbraw/zinc/15/31/02/446153102.db2.gz ZCRSDJHLCJERTE-HNKHHVNMSA-N 1 3 337.851 1.172 20 0 EDADHO C[C@@H]1CN(C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532418 446251507 /nfs/dbraw/zinc/25/15/07/446251507.db2.gz WSBDFCGCACPVIQ-YLJYHZDGSA-N 1 3 331.504 1.994 20 0 EDADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1N1CCN(C)CC1 ZINC000365633822 446281438 /nfs/dbraw/zinc/28/14/38/446281438.db2.gz JCMKSGHSRXAYPA-IAGOWNOFSA-N 1 3 334.508 1.099 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H]1SC ZINC000362301340 446312090 /nfs/dbraw/zinc/31/20/90/446312090.db2.gz ZIDXAZZBEOONHA-XBVQOTNRSA-N 1 3 328.522 1.986 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417530965 446362792 /nfs/dbraw/zinc/36/27/92/446362792.db2.gz SWVHZZBQZDZUIG-WMZOPIPTSA-N 1 3 348.491 1.596 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000417674349 446369282 /nfs/dbraw/zinc/36/92/82/446369282.db2.gz ZBWKMNZDZJQAEK-HZMVEIRTSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000417674349 446369289 /nfs/dbraw/zinc/36/92/89/446369289.db2.gz ZBWKMNZDZJQAEK-HZMVEIRTSA-N 1 3 340.512 1.515 20 0 EDADHO N[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000417910970 446383823 /nfs/dbraw/zinc/38/38/23/446383823.db2.gz LZGPTEOKLMIIPF-KURKYZTESA-N 1 3 346.475 1.363 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365877384 446384624 /nfs/dbraw/zinc/38/46/24/446384624.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365877384 446384629 /nfs/dbraw/zinc/38/46/29/446384629.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418101692 446440032 /nfs/dbraw/zinc/44/00/32/446440032.db2.gz GHTNXQGLYXYOBK-IPMKNSEASA-N 1 3 342.487 1.759 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011620 446415593 /nfs/dbraw/zinc/41/55/93/446415593.db2.gz LBZHBRLEWYQKGY-YVWKXTFCSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCCN1C ZINC000418012702 446415710 /nfs/dbraw/zinc/41/57/10/446415710.db2.gz YBBDCOHKVHFLMZ-BGTYHANMSA-N 1 3 330.476 1.853 20 0 EDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CCNCC2)cn1 ZINC000423235293 446460818 /nfs/dbraw/zinc/46/08/18/446460818.db2.gz QSMXYJRSHOBRNA-QAPCUYQASA-N 1 3 325.460 1.862 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN(CC3CCOCC3)CC2)cc1 ZINC000420307573 446470098 /nfs/dbraw/zinc/47/00/98/446470098.db2.gz BVQIDXJPNIWRIR-LJQANCHMSA-N 1 3 347.503 1.782 20 0 EDADHO COCc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321941 446488320 /nfs/dbraw/zinc/48/83/20/446488320.db2.gz DGSPOZUYFVQNII-RBUKOAKNSA-N 1 3 345.487 1.771 20 0 EDADHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc3c(c2)CNCC3)cn1 ZINC000367040988 446484837 /nfs/dbraw/zinc/48/48/37/446484837.db2.gz PQEKHTNZLSTEQI-SJORKVTESA-N 1 3 325.416 1.008 20 0 EDADHO CN(C(=O)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000420326883 446492931 /nfs/dbraw/zinc/49/29/31/446492931.db2.gz XUZMGWGUSPRQPQ-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H]1CCOc2ccccc21 ZINC000420331512 446501260 /nfs/dbraw/zinc/50/12/60/446501260.db2.gz CBUCBLWURDVLEV-XYJFISCASA-N 1 3 343.471 1.948 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423367602 446503625 /nfs/dbraw/zinc/50/36/25/446503625.db2.gz DJBSRKAXHSPLGF-GJZGRUSLSA-N 1 3 333.480 1.491 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372385 446506535 /nfs/dbraw/zinc/50/65/35/446506535.db2.gz GDUCIJJPVGASAN-UONOGXRCSA-N 1 3 331.464 1.623 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341106 446512338 /nfs/dbraw/zinc/51/23/38/446512338.db2.gz NQTDSNSJRNGGFS-MSOLQXFVSA-N 1 3 345.487 1.975 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000420342294 446513810 /nfs/dbraw/zinc/51/38/10/446513810.db2.gz QRNFJJVIOABCRM-GOSISDBHSA-N 1 3 344.503 1.481 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343313 446515081 /nfs/dbraw/zinc/51/50/81/446515081.db2.gz QMYZIMWNXCQOQS-SJORKVTESA-N 1 3 333.451 1.806 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341514 446497226 /nfs/dbraw/zinc/49/72/26/446497226.db2.gz XZEPAKYNSBTWCC-LSDHHAIUSA-N 1 3 333.480 1.301 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358918 446498584 /nfs/dbraw/zinc/49/85/84/446498584.db2.gz OGRBWXZUJLYAOP-CBZIJGRNSA-N 1 3 337.508 1.722 20 0 EDADHO CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330523 446499044 /nfs/dbraw/zinc/49/90/44/446499044.db2.gz QASXSUZIMAHPIK-JKQORVJESA-N 1 3 339.480 1.012 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371538 446565794 /nfs/dbraw/zinc/56/57/94/446565794.db2.gz BJADFXAJIPJGHV-HUUCEWRRSA-N 1 3 334.468 1.197 20 0 EDADHO COCC1(CN[C@H](c2c[nH]nn2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423407598 446520982 /nfs/dbraw/zinc/52/09/82/446520982.db2.gz MSKPWABYMOZUPZ-INIZCTEOSA-N 1 3 333.411 1.639 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000433139401 446535462 /nfs/dbraw/zinc/53/54/62/446535462.db2.gz XFFUCSYBOUKETP-LJQANCHMSA-N 1 3 344.503 1.580 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)cc1 ZINC000420365090 446544778 /nfs/dbraw/zinc/54/47/78/446544778.db2.gz RUFPPSWNEZXTBI-RDTXWAMCSA-N 1 3 333.476 1.974 20 0 EDADHO O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCCN(C2CCCC2)CC1 ZINC000433391026 446568263 /nfs/dbraw/zinc/56/82/63/446568263.db2.gz UELYURLCQOHURG-MRXNPFEDSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418587661 446603833 /nfs/dbraw/zinc/60/38/33/446603833.db2.gz GYUSWPRIXSBZGE-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418752884 446670719 /nfs/dbraw/zinc/67/07/19/446670719.db2.gz UQLNWZVYQIQIBY-KBPBESRZSA-N 1 3 330.423 1.644 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000423758961 446688899 /nfs/dbraw/zinc/68/88/99/446688899.db2.gz KYQLPUAPIRVKJH-FHWLQOOXSA-N 1 3 348.535 1.393 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000368187540 446693462 /nfs/dbraw/zinc/69/34/62/446693462.db2.gz WPTIVOKHKJVUPX-PKOBYXMFSA-N 1 3 342.487 1.327 20 0 EDADHO COCC[C@@]1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846364 446728385 /nfs/dbraw/zinc/72/83/85/446728385.db2.gz PBNHSZYVLOHDIW-LPHOPBHVSA-N 1 3 333.476 1.639 20 0 EDADHO C[C@H](NC(=O)C(N)C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861487 446733702 /nfs/dbraw/zinc/73/37/02/446733702.db2.gz COQOZONTTBXOLC-IACUBPJLSA-N 1 3 329.366 1.903 20 0 EDADHO C[C@H](NC(=O)C(N)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861487 446733710 /nfs/dbraw/zinc/73/37/10/446733710.db2.gz COQOZONTTBXOLC-IACUBPJLSA-N 1 3 329.366 1.903 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000423750174 446679654 /nfs/dbraw/zinc/67/96/54/446679654.db2.gz SUXBNTXUYSUJET-BRWVUGGUSA-N 1 3 325.497 1.581 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CNCCO1 ZINC000418761598 446680263 /nfs/dbraw/zinc/68/02/63/446680263.db2.gz HYVQHWSNPJHVEY-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000423990767 446812156 /nfs/dbraw/zinc/81/21/56/446812156.db2.gz ZOUAMFCYHZYSGU-MAUKXSAKSA-N 1 3 330.476 1.636 20 0 EDADHO OCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000368444764 446867118 /nfs/dbraw/zinc/86/71/18/446867118.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 1 3 330.472 1.982 20 0 EDADHO OCC1(C[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000368444764 446867124 /nfs/dbraw/zinc/86/71/24/446867124.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 1 3 330.472 1.982 20 0 EDADHO CS(=O)(=O)CCCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385926 446869081 /nfs/dbraw/zinc/86/90/81/446869081.db2.gz WYDLTJKVUJLFLC-WBVHZDCISA-N 1 3 338.473 1.657 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000424460037 446878466 /nfs/dbraw/zinc/87/84/66/446878466.db2.gz XVJOHRHFZJWNPX-HUUCEWRRSA-N 1 3 346.475 1.771 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169170 446984821 /nfs/dbraw/zinc/98/48/21/446984821.db2.gz LUYUFQDLTJIYFA-CVEARBPZSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000372095346 446998640 /nfs/dbraw/zinc/99/86/40/446998640.db2.gz MXNWMIQGXQWTIB-LVQVYYBASA-N 1 3 341.521 1.087 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@@H]1CSCCN1 ZINC000372095346 446998644 /nfs/dbraw/zinc/99/86/44/446998644.db2.gz MXNWMIQGXQWTIB-LVQVYYBASA-N 1 3 341.521 1.087 20 0 EDADHO CCOCC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000375942333 447165166 /nfs/dbraw/zinc/16/51/66/447165166.db2.gz PEYATOSIKFHEGP-NUJGCVRESA-N 1 3 328.497 1.595 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955745 447173078 /nfs/dbraw/zinc/17/30/78/447173078.db2.gz YYRRGODWFROJIY-FCEWJHQRSA-N 1 3 331.460 1.522 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000377526567 447181857 /nfs/dbraw/zinc/18/18/57/447181857.db2.gz WATLMQAKXBOOJG-XUJVJEKNSA-N 1 3 339.461 1.138 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000377526567 447181862 /nfs/dbraw/zinc/18/18/62/447181862.db2.gz WATLMQAKXBOOJG-XUJVJEKNSA-N 1 3 339.461 1.138 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419478380 447211026 /nfs/dbraw/zinc/21/10/26/447211026.db2.gz JJRLPJZKHCUVEY-JKSUJKDBSA-N 1 3 340.512 1.247 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419478380 447211033 /nfs/dbraw/zinc/21/10/33/447211033.db2.gz JJRLPJZKHCUVEY-JKSUJKDBSA-N 1 3 340.512 1.247 20 0 EDADHO CN1CCC(O)(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455899110 447252402 /nfs/dbraw/zinc/25/24/02/447252402.db2.gz FQTJTNNWOKOWJL-KRWDZBQOSA-N 1 3 346.475 1.814 20 0 EDADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446039294 447218006 /nfs/dbraw/zinc/21/80/06/447218006.db2.gz LCDDJLOUZZIYJV-UHFFFAOYSA-N 1 3 334.464 1.186 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000446039294 447218013 /nfs/dbraw/zinc/21/80/13/447218013.db2.gz LCDDJLOUZZIYJV-UHFFFAOYSA-N 1 3 334.464 1.186 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000446039294 447218021 /nfs/dbraw/zinc/21/80/21/447218021.db2.gz LCDDJLOUZZIYJV-UHFFFAOYSA-N 1 3 334.464 1.186 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465586 /nfs/dbraw/zinc/46/55/86/447465586.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465591 /nfs/dbraw/zinc/46/55/91/447465591.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 1 3 340.512 1.611 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415506815 447485711 /nfs/dbraw/zinc/48/57/11/447485711.db2.gz TXQBJNUTUPRDED-INIZCTEOSA-N 1 3 345.491 1.950 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000390896000 447504727 /nfs/dbraw/zinc/50/47/27/447504727.db2.gz KFSDPUFGPAKSTN-QZTJIDSGSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390902443 447505333 /nfs/dbraw/zinc/50/53/33/447505333.db2.gz VNHJYWPVPLARNK-MAUKXSAKSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@]1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911485 447507372 /nfs/dbraw/zinc/50/73/72/447507372.db2.gz XGUKNAFIZPDKCA-HKUYNNGSSA-N 1 3 331.460 1.393 20 0 EDADHO CCc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465148 447524294 /nfs/dbraw/zinc/52/42/94/447524294.db2.gz BJFHHFRGRBYYDS-YOEHRIQHSA-N 1 3 333.480 1.063 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCCC1 ZINC000457436737 447580633 /nfs/dbraw/zinc/58/06/33/447580633.db2.gz KFPYTXYPMAXDMV-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000394408028 447538098 /nfs/dbraw/zinc/53/80/98/447538098.db2.gz MIIMQUFARFIKDM-OWCLPIDISA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000394408028 447538104 /nfs/dbraw/zinc/53/81/04/447538104.db2.gz MIIMQUFARFIKDM-OWCLPIDISA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[NH+](C)C ZINC000459043793 447550909 /nfs/dbraw/zinc/55/09/09/447550909.db2.gz QNCDFKTWYLZBLM-ZDUSSCGKSA-N 1 3 342.434 1.988 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000427202848 447561929 /nfs/dbraw/zinc/56/19/29/447561929.db2.gz HLBXSEBFSTUGIM-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)N2CCCC2)cc1 ZINC000416814117 447691366 /nfs/dbraw/zinc/69/13/66/447691366.db2.gz FONHGKUASBSPBA-ZWKOTPCHSA-N 1 3 346.475 1.869 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870338 447656209 /nfs/dbraw/zinc/65/62/09/447656209.db2.gz ZGRNRVCZNBYCRW-KRWDZBQOSA-N 1 3 338.496 1.007 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637370 447682386 /nfs/dbraw/zinc/68/23/86/447682386.db2.gz OLBVSFYFPXEJMQ-OUAUKWLOSA-N 1 3 338.374 1.070 20 0 EDADHO C[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422710283 447722798 /nfs/dbraw/zinc/72/27/98/447722798.db2.gz FOWYWFSJBVUZMP-SJLPKXTDSA-N 1 3 336.524 1.299 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714671 447725160 /nfs/dbraw/zinc/72/51/60/447725160.db2.gz RILHIEXXHBDDRC-QAPCUYQASA-N 1 3 331.460 1.604 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@@H](C)C1 ZINC000422743096 447734892 /nfs/dbraw/zinc/73/48/92/447734892.db2.gz HVXVDYPEKYHMKV-NXOAAHMSSA-N 1 3 341.496 1.007 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840858 447765212 /nfs/dbraw/zinc/76/52/12/447765212.db2.gz CGOZEOKMYPGGKY-ROUUACIJSA-N 1 3 333.476 1.564 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777846 447748430 /nfs/dbraw/zinc/74/84/30/447748430.db2.gz GIVRYZBVJZUCKE-HOCLYGCPSA-N 1 3 328.464 1.902 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422776675 447748523 /nfs/dbraw/zinc/74/85/23/447748523.db2.gz AYUXKNSJQXDWFR-ARFHVFGLSA-N 1 3 348.491 1.751 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496318975 447755909 /nfs/dbraw/zinc/75/59/09/447755909.db2.gz CGTVMMLNTUHDPF-GOSISDBHSA-N 1 3 343.512 1.972 20 0 EDADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccn1 ZINC000423023909 447793083 /nfs/dbraw/zinc/79/30/83/447793083.db2.gz KSURIBLKFPKTOR-KURKYZTESA-N 1 3 348.491 1.269 20 0 EDADHO C[C@@H]1C[C@H](CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663821 447843824 /nfs/dbraw/zinc/84/38/24/447843824.db2.gz PWUFWVHUNLUUMA-ZIAGYGMSSA-N 1 3 327.469 1.336 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000488530275 447848542 /nfs/dbraw/zinc/84/85/42/447848542.db2.gz KEXPRCPWGWBHMZ-KDURUIRLSA-N 1 3 333.476 1.674 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000488530275 447848543 /nfs/dbraw/zinc/84/85/43/447848543.db2.gz KEXPRCPWGWBHMZ-KDURUIRLSA-N 1 3 333.476 1.674 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCCOC3)cc2)CC1 ZINC000575850054 447912098 /nfs/dbraw/zinc/91/20/98/447912098.db2.gz GRASXENFMMHPCY-SFHVURJKSA-N 1 3 331.460 1.653 20 0 EDADHO CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447956017 /nfs/dbraw/zinc/95/60/17/447956017.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 1 3 348.466 1.139 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000530584080 447921900 /nfs/dbraw/zinc/92/19/00/447921900.db2.gz GNSFPADKITWUME-SFHVURJKSA-N 1 3 336.524 1.491 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cnn(C)c3)CC2)CC1 ZINC000576259634 448013909 /nfs/dbraw/zinc/01/39/09/448013909.db2.gz LKQFBQSFGSAVJR-UHFFFAOYSA-N 1 3 347.507 1.575 20 0 EDADHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)N2CCCC2)CC1 ZINC000496891174 448009264 /nfs/dbraw/zinc/00/92/64/448009264.db2.gz HDXNHXVRSQSSON-CYBMUJFWSA-N 1 3 325.457 1.206 20 0 EDADHO C[C@H]([NH2+]CC(C)(C)N)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305961 448059322 /nfs/dbraw/zinc/05/93/22/448059322.db2.gz LQTFIIDZQNNBQP-HOCLYGCPSA-N 1 3 335.448 1.739 20 0 EDADHO C[C@H]([NH2+]CC(C)(C)N)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305960 448059620 /nfs/dbraw/zinc/05/96/20/448059620.db2.gz LQTFIIDZQNNBQP-GOEBONIOSA-N 1 3 335.448 1.739 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000571645233 448185685 /nfs/dbraw/zinc/18/56/85/448185685.db2.gz OFBCOEXGPGOVEB-INIZCTEOSA-N 1 3 332.492 1.935 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000532093916 448200590 /nfs/dbraw/zinc/20/05/90/448200590.db2.gz QAOVEVWFXZZQKP-KSZLIROESA-N 1 3 336.524 1.486 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000532093916 448200592 /nfs/dbraw/zinc/20/05/92/448200592.db2.gz QAOVEVWFXZZQKP-KSZLIROESA-N 1 3 336.524 1.486 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000582962459 448389674 /nfs/dbraw/zinc/38/96/74/448389674.db2.gz FXXYLHDWZYAGIB-GOSISDBHSA-N 1 3 348.491 1.828 20 0 EDADHO COc1ccc2c(c1)OC[C@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000534821927 448469853 /nfs/dbraw/zinc/46/98/53/448469853.db2.gz TUVXQFUGAOFFBS-OAHLLOKOSA-N 1 3 349.475 1.513 20 0 EDADHO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000578354606 448527794 /nfs/dbraw/zinc/52/77/94/448527794.db2.gz PQEUQTSNJNIECL-IUGDKWEMSA-N 1 3 348.491 1.750 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000584616788 448585553 /nfs/dbraw/zinc/58/55/53/448585553.db2.gz LPYKAAKVVXEHBY-FGTMMUONSA-N 1 3 330.476 1.219 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647789 448603251 /nfs/dbraw/zinc/60/32/51/448603251.db2.gz HTHAQDBSMNQQIW-HKUYNNGSSA-N 1 3 346.519 1.856 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)nc1 ZINC000518759365 448706886 /nfs/dbraw/zinc/70/68/86/448706886.db2.gz QVBNUWSNJWRXCB-INIZCTEOSA-N 1 3 346.475 1.809 20 0 EDADHO COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000567677999 448734638 /nfs/dbraw/zinc/73/46/38/448734638.db2.gz GZLNMNZDVYBZKH-MAUKXSAKSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccccc1COC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567677999 448734643 /nfs/dbraw/zinc/73/46/43/448734643.db2.gz GZLNMNZDVYBZKH-MAUKXSAKSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccccc1COC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000567677999 448734647 /nfs/dbraw/zinc/73/46/47/448734647.db2.gz GZLNMNZDVYBZKH-MAUKXSAKSA-N 1 3 334.460 1.647 20 0 EDADHO C[C@H](N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[NH2+]C1 ZINC000519418521 448767976 /nfs/dbraw/zinc/76/79/76/448767976.db2.gz GKSICZKYWQQAEG-JGGQBBKZSA-N 1 3 329.423 1.987 20 0 EDADHO COc1ccc(CN2CCC(C[NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000579227618 448745628 /nfs/dbraw/zinc/74/56/28/448745628.db2.gz UVKHVLXWLOHAFX-UHFFFAOYSA-N 1 3 348.447 1.082 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567764304 448755003 /nfs/dbraw/zinc/75/50/03/448755003.db2.gz WENLGSFZHYMDHM-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567764304 448755009 /nfs/dbraw/zinc/75/50/09/448755009.db2.gz WENLGSFZHYMDHM-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592391391 448820278 /nfs/dbraw/zinc/82/02/78/448820278.db2.gz OYEOISFYROQJKU-SCTDSRPQSA-N 1 3 341.540 1.509 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592391391 448820285 /nfs/dbraw/zinc/82/02/85/448820285.db2.gz OYEOISFYROQJKU-SCTDSRPQSA-N 1 3 341.540 1.509 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000568512798 448884247 /nfs/dbraw/zinc/88/42/47/448884247.db2.gz LKRPJYVKOYDOQK-IEBWSBKVSA-N 1 3 336.524 1.380 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000579822125 448884333 /nfs/dbraw/zinc/88/43/33/448884333.db2.gz LABVOZBRXFYMGY-UHFFFAOYSA-N 1 3 348.495 1.085 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000579822125 448884338 /nfs/dbraw/zinc/88/43/38/448884338.db2.gz LABVOZBRXFYMGY-UHFFFAOYSA-N 1 3 348.495 1.085 20 0 EDADHO COC(=O)c1cn([C@H]2CCCN(CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495611 448863597 /nfs/dbraw/zinc/86/35/97/448863597.db2.gz NFMZTVKZJWGHAO-HNNXBMFYSA-N 1 3 335.452 1.481 20 0 EDADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000579942170 448915027 /nfs/dbraw/zinc/91/50/27/448915027.db2.gz GXNTUOYCSJHZPN-PEELUZDISA-N 1 3 345.443 1.713 20 0 EDADHO C[C@H]1CN(CC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000588711925 448919533 /nfs/dbraw/zinc/91/95/33/448919533.db2.gz VDTLXCOZBBWBMQ-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1[nH]nc2ncc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000520369380 448889545 /nfs/dbraw/zinc/88/95/45/448889545.db2.gz VDRAQMLYJIXZRW-DLBZAZTESA-N 1 3 329.448 1.985 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521010136 448945134 /nfs/dbraw/zinc/94/51/34/448945134.db2.gz OETARMFNJDRFII-INIZCTEOSA-N 1 3 340.512 1.199 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521010136 448945137 /nfs/dbraw/zinc/94/51/37/448945137.db2.gz OETARMFNJDRFII-INIZCTEOSA-N 1 3 340.512 1.199 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000574987413 449007212 /nfs/dbraw/zinc/00/72/12/449007212.db2.gz XVUZSQQZUCHEOO-OKZBNKHCSA-N 1 3 328.460 1.881 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000574987413 449007217 /nfs/dbraw/zinc/00/72/17/449007217.db2.gz XVUZSQQZUCHEOO-OKZBNKHCSA-N 1 3 328.460 1.881 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000575073480 449031031 /nfs/dbraw/zinc/03/10/31/449031031.db2.gz DANGQUJRRWGPPT-DOTOQJQBSA-N 1 3 332.448 1.493 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960422 449085181 /nfs/dbraw/zinc/08/51/81/449085181.db2.gz ZXENJIWQGWQMKC-HUUCEWRRSA-N 1 3 333.480 1.714 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000575248910 449069706 /nfs/dbraw/zinc/06/97/06/449069706.db2.gz YCTVCDACJPTJLH-HJOIGYKYSA-N 1 3 326.481 1.792 20 0 EDADHO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000530241290 449092372 /nfs/dbraw/zinc/09/23/72/449092372.db2.gz PPOFLBZRBJSEEI-ZWKOTPCHSA-N 1 3 333.476 1.316 20 0 EDADHO CN(C)C1(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CCCCCC1 ZINC000602468969 449616018 /nfs/dbraw/zinc/61/60/18/449616018.db2.gz SVCYDLKQIGTHLL-QHCPKHFHSA-N 1 3 343.537 1.258 20 0 EDADHO Cc1ccn2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2n1 ZINC000617505857 449653880 /nfs/dbraw/zinc/65/38/80/449653880.db2.gz SKRDUYZASQBURF-AWEZNQCLSA-N 1 3 332.452 1.040 20 0 EDADHO Cc1ccn2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2n1 ZINC000617505857 449653887 /nfs/dbraw/zinc/65/38/87/449653887.db2.gz SKRDUYZASQBURF-AWEZNQCLSA-N 1 3 332.452 1.040 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617508078 449657941 /nfs/dbraw/zinc/65/79/41/449657941.db2.gz UHKWJCQGKXPXFC-ZDUSSCGKSA-N 1 3 344.463 1.214 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(N)ncnc2c1 ZINC000617508078 449657946 /nfs/dbraw/zinc/65/79/46/449657946.db2.gz UHKWJCQGKXPXFC-ZDUSSCGKSA-N 1 3 344.463 1.214 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN(C)CC1 ZINC000597441798 450023207 /nfs/dbraw/zinc/02/32/07/450023207.db2.gz UYCIYBWTMZLJPW-CYBMUJFWSA-N 1 3 326.510 1.255 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000625866265 450524161 /nfs/dbraw/zinc/52/41/61/450524161.db2.gz AYMJMADEXULFBJ-GXTWGEPZSA-N 1 3 334.468 1.720 20 0 EDADHO CC[NH+]1CCN(CCC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000620770529 450541544 /nfs/dbraw/zinc/54/15/44/450541544.db2.gz CCVPAWHFPKSUPO-LJQANCHMSA-N 1 3 344.503 1.405 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000631587290 450667531 /nfs/dbraw/zinc/66/75/31/450667531.db2.gz RCTLMPVPTVRTAD-INIZCTEOSA-N 1 3 333.480 1.249 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000631587290 450667538 /nfs/dbraw/zinc/66/75/38/450667538.db2.gz RCTLMPVPTVRTAD-INIZCTEOSA-N 1 3 333.480 1.249 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000631677854 450710214 /nfs/dbraw/zinc/71/02/14/450710214.db2.gz IOFHSXIVSVQCPD-UHFFFAOYSA-N 1 3 338.477 1.019 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577120 450745403 /nfs/dbraw/zinc/74/54/03/450745403.db2.gz PYETTWLAVCSUGC-PMACEKPBSA-N 1 3 331.504 1.943 20 0 EDADHO Cn1c2cc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828394 450800830 /nfs/dbraw/zinc/80/08/30/450800830.db2.gz NYPNCFRXAGZIKY-YJBOKZPZSA-N 1 3 345.443 1.850 20 0 EDADHO CCn1cc(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000621775214 450862531 /nfs/dbraw/zinc/86/25/31/450862531.db2.gz ITEOKNHRIUZNPH-RDJZCZTQSA-N 1 3 333.480 1.026 20 0 EDADHO CN(CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CCC1 ZINC000629979633 450932141 /nfs/dbraw/zinc/93/21/41/450932141.db2.gz HVAYDMMJXWBGOE-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018455 450971420 /nfs/dbraw/zinc/97/14/20/450971420.db2.gz CERXYBXESWWYNY-HOTGVXAUSA-N 1 3 331.526 1.607 20 0 EDADHO C[C@@](O)(C[C@@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978262 /nfs/dbraw/zinc/97/82/62/450978262.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 1 3 344.499 1.962 20 0 EDADHO C[C@@](O)(C[C@@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045203 450978267 /nfs/dbraw/zinc/97/82/67/450978267.db2.gz ZLLUSEJVUQPWKL-KOUHRCEDSA-N 1 3 344.499 1.962 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000626952786 451030637 /nfs/dbraw/zinc/03/06/37/451030637.db2.gz JMYAOVVSCJPTEZ-KRWDZBQOSA-N 1 3 336.480 1.475 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000627013750 451078094 /nfs/dbraw/zinc/07/80/94/451078094.db2.gz RDHYPNJDENAGBX-AEFFLSMTSA-N 1 3 348.491 1.384 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000638085595 451250543 /nfs/dbraw/zinc/25/05/43/451250543.db2.gz RTUHUGLZRFMRNV-CRAIPNDOSA-N 1 3 335.448 1.010 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098610 451263579 /nfs/dbraw/zinc/26/35/79/451263579.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 1 3 332.492 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098610 451263583 /nfs/dbraw/zinc/26/35/83/451263583.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 1 3 332.492 1.436 20 0 EDADHO COCC[NH2+]CCc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000630591434 451267995 /nfs/dbraw/zinc/26/79/95/451267995.db2.gz FEOJLOOGSRNJNN-SFHVURJKSA-N 1 3 329.448 1.504 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000638104354 451272176 /nfs/dbraw/zinc/27/21/76/451272176.db2.gz YJMRGHSRPWWURQ-PKOBYXMFSA-N 1 3 349.475 1.053 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124301 451293731 /nfs/dbraw/zinc/29/37/31/451293731.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 1 3 332.492 1.387 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124301 451293737 /nfs/dbraw/zinc/29/37/37/451293737.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 1 3 332.492 1.387 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638127322 451298612 /nfs/dbraw/zinc/29/86/12/451298612.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 1 3 346.519 1.636 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638127322 451298620 /nfs/dbraw/zinc/29/86/20/451298620.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 1 3 346.519 1.636 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000638129053 451300111 /nfs/dbraw/zinc/30/01/11/451300111.db2.gz RYELCUYVQNFXMY-KRWDZBQOSA-N 1 3 329.444 1.307 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000638137337 451311464 /nfs/dbraw/zinc/31/14/64/451311464.db2.gz ISYPEPHQFXESIW-LJQANCHMSA-N 1 3 342.487 1.358 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638251442 451382213 /nfs/dbraw/zinc/38/22/13/451382213.db2.gz HTQOAFMVRXNTNQ-LBPRGKRZSA-N 1 3 333.436 1.161 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000638323130 451431654 /nfs/dbraw/zinc/43/16/54/451431654.db2.gz GBUIMMIMHCHUPR-IBGZPJMESA-N 1 3 344.503 1.436 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)[C@]12CCCO2 ZINC000638359025 451458575 /nfs/dbraw/zinc/45/85/75/451458575.db2.gz FDRNORNOBMPMOH-RCCFBDPRSA-N 1 3 325.497 1.330 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375103 451472606 /nfs/dbraw/zinc/47/26/06/451472606.db2.gz DNUIWSYWBMMDLZ-DLBZAZTESA-N 1 3 330.476 1.237 20 0 EDADHO OC[C@@H](CN1CCCCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722612 451502980 /nfs/dbraw/zinc/50/29/80/451502980.db2.gz RRLBDMOAAVTUJB-UXHICEINSA-N 1 3 347.503 1.060 20 0 EDADHO OC[C@@H](CN1CCCCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722612 451502986 /nfs/dbraw/zinc/50/29/86/451502986.db2.gz RRLBDMOAAVTUJB-UXHICEINSA-N 1 3 347.503 1.060 20 0 EDADHO CCN1CCC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450553 451522083 /nfs/dbraw/zinc/52/20/83/451522083.db2.gz GLFNYCXVUKHLGZ-AWEZNQCLSA-N 1 3 331.526 1.558 20 0 EDADHO CCOC1CC(C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000638514052 451554098 /nfs/dbraw/zinc/55/40/98/451554098.db2.gz PJNSPPBIGOFYOH-UHFFFAOYSA-N 1 3 333.476 1.883 20 0 EDADHO C[NH2+]CCOCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000638577680 451585748 /nfs/dbraw/zinc/58/57/48/451585748.db2.gz CSOJJXSUHGRYLI-MRXNPFEDSA-N 1 3 337.439 1.390 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000632914314 451648328 /nfs/dbraw/zinc/64/83/28/451648328.db2.gz KNYUWDPUGOASQI-OWCLPIDISA-N 1 3 326.485 1.255 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNCCC1(F)F ZINC000638803821 451695875 /nfs/dbraw/zinc/69/58/75/451695875.db2.gz PJRAHJFQXIPNOJ-JKSUJKDBSA-N 1 3 337.414 1.870 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCCC1(F)F ZINC000638803821 451695879 /nfs/dbraw/zinc/69/58/79/451695879.db2.gz PJRAHJFQXIPNOJ-JKSUJKDBSA-N 1 3 337.414 1.870 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000638729960 451669055 /nfs/dbraw/zinc/66/90/55/451669055.db2.gz VBZVBYNNUXAEHF-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO O=C(Cn1cc(CNC2CCCC2)nn1)NC1CC[NH+](C2CC2)CC1 ZINC000641002170 451726739 /nfs/dbraw/zinc/72/67/39/451726739.db2.gz BAIOIMPRULOUOJ-UHFFFAOYSA-N 1 3 346.479 1.053 20 0 EDADHO CO[C@H](CN(C)CC[N@H+](C)C1CCN(C)CC1)C1CCOCC1 ZINC000639169518 451783676 /nfs/dbraw/zinc/78/36/76/451783676.db2.gz DXUUBMVTYMLMSO-GOSISDBHSA-N 1 3 327.513 1.386 20 0 EDADHO CO[C@H](CN(C)CC[N@@H+](C)C1CCN(C)CC1)C1CCOCC1 ZINC000639169518 451783679 /nfs/dbraw/zinc/78/36/79/451783679.db2.gz DXUUBMVTYMLMSO-GOSISDBHSA-N 1 3 327.513 1.386 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2c(cn1)OCCO2 ZINC000639171124 451784279 /nfs/dbraw/zinc/78/42/79/451784279.db2.gz RENFBCZCIXDYNT-QGZVFWFLSA-N 1 3 348.491 1.701 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2c(cn1)OCCO2 ZINC000639171124 451784280 /nfs/dbraw/zinc/78/42/80/451784280.db2.gz RENFBCZCIXDYNT-QGZVFWFLSA-N 1 3 348.491 1.701 20 0 EDADHO CC[C@@H](C)[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)OC ZINC000639261341 451800328 /nfs/dbraw/zinc/80/03/28/451800328.db2.gz NDHYTKMHUMSWRI-SJORKVTESA-N 1 3 327.513 1.434 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@@]2(COC)CCC[NH2+]2)N(C)C)cc1 ZINC000649278487 451949970 /nfs/dbraw/zinc/94/99/70/451949970.db2.gz HRGJSVZKIMRMOV-HKUYNNGSSA-N 1 3 333.476 1.737 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cnn1C ZINC000649293509 451968649 /nfs/dbraw/zinc/96/86/49/451968649.db2.gz WPVRIULIUKJSPC-DTDBQYNISA-N 1 3 347.507 1.268 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649329701 452009913 /nfs/dbraw/zinc/00/99/13/452009913.db2.gz CPPXAGCQLRLCQH-BHIYHBOVSA-N 1 3 345.487 1.734 20 0 EDADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000649328899 452010136 /nfs/dbraw/zinc/01/01/36/452010136.db2.gz QKWOIGAEHLIGDV-PXCRPINLSA-N 1 3 339.483 1.967 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000649329686 452010678 /nfs/dbraw/zinc/01/06/78/452010678.db2.gz BRUDYMXBLSBOLW-IKLKHMQRSA-N 1 3 327.472 1.963 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000649332840 452014238 /nfs/dbraw/zinc/01/42/38/452014238.db2.gz LLELKKCTCCAKDA-ZFWWWQNUSA-N 1 3 325.403 1.868 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2C[NH2+]CCOC2)ccc1OCCN1CCCC1 ZINC000649336359 452015875 /nfs/dbraw/zinc/01/58/75/452015875.db2.gz PTEJOHWTIPXHBW-MRXNPFEDSA-N 1 3 347.459 1.644 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336686 452017370 /nfs/dbraw/zinc/01/73/70/452017370.db2.gz MPMZBYXFTGJDOJ-NJAFHUGGSA-N 1 3 331.460 1.249 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649350601 452033357 /nfs/dbraw/zinc/03/33/57/452033357.db2.gz ROGKALRAHQEMGH-UHFFFAOYSA-N 1 3 346.519 1.958 20 0 EDADHO CN1CCCC[C@@H]1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000647090695 452055074 /nfs/dbraw/zinc/05/50/74/452055074.db2.gz OGOICPIFDYAZRD-GOSISDBHSA-N 1 3 344.503 1.580 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637807119 452092547 /nfs/dbraw/zinc/09/25/47/452092547.db2.gz RRKHGVIPXCPPJE-SFHVURJKSA-N 1 3 342.443 1.256 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)c1 ZINC000637808859 452094249 /nfs/dbraw/zinc/09/42/49/452094249.db2.gz HCSWXVVKJQTTQS-SFHVURJKSA-N 1 3 326.444 1.804 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000647507496 452244581 /nfs/dbraw/zinc/24/45/81/452244581.db2.gz QYWAKBKVMZMHGY-JXFKEZNVSA-N 1 3 346.519 1.765 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000647517870 452251381 /nfs/dbraw/zinc/25/13/81/452251381.db2.gz PLABRXPSBIAUFL-SFHVURJKSA-N 1 3 336.476 1.480 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000643516161 452280386 /nfs/dbraw/zinc/28/03/86/452280386.db2.gz VAVAYFZCJQJREB-HUUCEWRRSA-N 1 3 327.428 1.793 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NCC12CC(C1)C[NH2+]2 ZINC000659434348 452281791 /nfs/dbraw/zinc/28/17/91/452281791.db2.gz LSLJSSJSFCVRMG-UHFFFAOYSA-N 1 3 328.460 1.486 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049004 452317642 /nfs/dbraw/zinc/31/76/42/452317642.db2.gz RKMHGXSKJQFMCG-MOPGFXCFSA-N 1 3 341.455 1.984 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000638057893 452345219 /nfs/dbraw/zinc/34/52/19/452345219.db2.gz DAURREITVGOSKX-LJQANCHMSA-N 1 3 344.503 1.533 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000638057893 452345226 /nfs/dbraw/zinc/34/52/26/452345226.db2.gz DAURREITVGOSKX-LJQANCHMSA-N 1 3 344.503 1.533 20 0 EDADHO CC[C@H](C)N1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665763976 452348932 /nfs/dbraw/zinc/34/89/32/452348932.db2.gz QMBNOYIMOUDROH-IRXDYDNUSA-N 1 3 341.544 1.384 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H](CC)O1 ZINC000665764067 452350468 /nfs/dbraw/zinc/35/04/68/452350468.db2.gz TVMMOHQUWOJBTN-GVDBMIGSSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H](CC)O1 ZINC000665764067 452350477 /nfs/dbraw/zinc/35/04/77/452350477.db2.gz TVMMOHQUWOJBTN-GVDBMIGSSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663644709 452387840 /nfs/dbraw/zinc/38/78/40/452387840.db2.gz ZSOXJXQTFXSYLC-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663644709 452387844 /nfs/dbraw/zinc/38/78/44/452387844.db2.gz ZSOXJXQTFXSYLC-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652234837 452423676 /nfs/dbraw/zinc/42/36/76/452423676.db2.gz LXDCPKPBUARYBC-MRXNPFEDSA-N 1 3 334.464 1.726 20 0 EDADHO CC1([NH3+])CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659567456 452424072 /nfs/dbraw/zinc/42/40/72/452424072.db2.gz VIOWKLSPCXABBG-UHFFFAOYSA-N 1 3 345.491 1.816 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578541 452434151 /nfs/dbraw/zinc/43/41/51/452434151.db2.gz DKZNHKLWNYJWGX-NCXUSEDFSA-N 1 3 342.487 1.868 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@@H](C)CN1 ZINC000659583249 452438381 /nfs/dbraw/zinc/43/83/81/452438381.db2.gz ZUSBKSSLRTWXRY-DLTLXFJOSA-N 1 3 334.439 1.663 20 0 EDADHO C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000647710557 452446645 /nfs/dbraw/zinc/44/66/45/452446645.db2.gz FKFJFIPPPWHXPX-APWZRJJASA-N 1 3 347.503 1.368 20 0 EDADHO [NH3+]CC[C@H]1CCCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340982 452513125 /nfs/dbraw/zinc/51/31/25/452513125.db2.gz RNZXWFVEGGWSQE-CQSZACIVSA-N 1 3 337.489 1.688 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345518 452518868 /nfs/dbraw/zinc/51/88/68/452518868.db2.gz DEWNSJRXWDERDJ-INMHGKMJSA-N 1 3 342.443 1.413 20 0 EDADHO CN(C)Cc1ccc(C(N)=O)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751166 452556720 /nfs/dbraw/zinc/55/67/20/452556720.db2.gz FVKHXRWNPWDUDA-KRWDZBQOSA-N 1 3 346.475 1.512 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000645597098 452578779 /nfs/dbraw/zinc/57/87/79/452578779.db2.gz FIPHLKYNGWQSFN-MJGOQNOKSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000640293845 452589015 /nfs/dbraw/zinc/58/90/15/452589015.db2.gz BRNKVENAVGAUMB-SFHVURJKSA-N 1 3 330.476 1.950 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921576 452684661 /nfs/dbraw/zinc/68/46/61/452684661.db2.gz PBEJDRLRGNOBIT-RTXFEEFZSA-N 1 3 334.386 1.534 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921576 452684669 /nfs/dbraw/zinc/68/46/69/452684669.db2.gz PBEJDRLRGNOBIT-RTXFEEFZSA-N 1 3 334.386 1.534 20 0 EDADHO CC(C)N(C)C[C@H](O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966483 452710277 /nfs/dbraw/zinc/71/02/77/452710277.db2.gz VRHXDLMBFORUJT-FQEVSTJZSA-N 1 3 348.535 1.721 20 0 EDADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966483 452710285 /nfs/dbraw/zinc/71/02/85/452710285.db2.gz VRHXDLMBFORUJT-FQEVSTJZSA-N 1 3 348.535 1.721 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953140 452715128 /nfs/dbraw/zinc/71/51/28/452715128.db2.gz MGJCHECHZGVHNL-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000647977431 452724378 /nfs/dbraw/zinc/72/43/78/452724378.db2.gz BFMHMLGXDUDEHV-HCXYKTFWSA-N 1 3 349.519 1.868 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119182 452835304 /nfs/dbraw/zinc/83/53/04/452835304.db2.gz XGBNFLFWLQJHTD-TZMCWYRMSA-N 1 3 334.489 1.612 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000664181814 452850458 /nfs/dbraw/zinc/85/04/58/452850458.db2.gz MIPWWTWXMDWMHC-IAGOWNOFSA-N 1 3 338.496 1.223 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC000664181812 452850544 /nfs/dbraw/zinc/85/05/44/452850544.db2.gz MIPWWTWXMDWMHC-DLBZAZTESA-N 1 3 338.496 1.223 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256923 452984722 /nfs/dbraw/zinc/98/47/22/452984722.db2.gz KCNVIXYWJZTUDI-AEFFLSMTSA-N 1 3 343.471 1.649 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256923 452984729 /nfs/dbraw/zinc/98/47/29/452984729.db2.gz KCNVIXYWJZTUDI-AEFFLSMTSA-N 1 3 343.471 1.649 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)C1 ZINC000646002934 452997574 /nfs/dbraw/zinc/99/75/74/452997574.db2.gz KHCPEXBTOPYWPF-WHBLYCTDSA-N 1 3 348.535 1.378 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000662281529 453007032 /nfs/dbraw/zinc/00/70/32/453007032.db2.gz NCAXOVAXGYRIEZ-CABCVRRESA-N 1 3 336.484 1.189 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297855 453018644 /nfs/dbraw/zinc/01/86/44/453018644.db2.gz SLQFDLBZXRZOFI-AWEZNQCLSA-N 1 3 347.488 1.671 20 0 EDADHO Cc1ccc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338343 453054961 /nfs/dbraw/zinc/05/49/61/453054961.db2.gz QRENRPNTNQHQEH-INIZCTEOSA-N 1 3 340.475 1.902 20 0 EDADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000660156849 453090565 /nfs/dbraw/zinc/09/05/65/453090565.db2.gz SCZJMAIVEAJXSA-ICBNADEASA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000660156849 453090572 /nfs/dbraw/zinc/09/05/72/453090572.db2.gz SCZJMAIVEAJXSA-ICBNADEASA-N 1 3 348.535 1.392 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662394782 453104789 /nfs/dbraw/zinc/10/47/89/453104789.db2.gz MWYOKMWYLCINNO-BXUZGUMPSA-N 1 3 331.338 1.353 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401814 453112663 /nfs/dbraw/zinc/11/26/63/453112663.db2.gz BNVMSPMCFZFRGI-KBPBESRZSA-N 1 3 333.480 1.727 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787340 453146783 /nfs/dbraw/zinc/14/67/83/453146783.db2.gz JBZFNDGRRWEIAC-INIZCTEOSA-N 1 3 332.448 1.465 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000648770624 453247957 /nfs/dbraw/zinc/24/79/57/453247957.db2.gz SXNOMSRTZAVSPL-UHFFFAOYSA-N 1 3 333.476 1.506 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3NCC3(C)C)nc2)CC1 ZINC000646243942 453252500 /nfs/dbraw/zinc/25/25/00/453252500.db2.gz JPFHBKLWUMTYJZ-MRXNPFEDSA-N 1 3 331.464 1.549 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666973082 453287503 /nfs/dbraw/zinc/28/75/03/453287503.db2.gz OODJBXMJBMGJOI-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666973082 453287509 /nfs/dbraw/zinc/28/75/09/453287509.db2.gz OODJBXMJBMGJOI-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121468 453313631 /nfs/dbraw/zinc/31/36/31/453313631.db2.gz WANYHWRRQZGAPS-NXHRZFHOSA-N 1 3 332.492 1.292 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)c(C)c2)CC1 ZINC000653123727 453317089 /nfs/dbraw/zinc/31/70/89/453317089.db2.gz FIHMATSBNHHRDG-QGZVFWFLSA-N 1 3 347.507 1.354 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653168462 453360194 /nfs/dbraw/zinc/36/01/94/453360194.db2.gz BLDNMXXFCNJUOO-SFHVURJKSA-N 1 3 347.507 1.426 20 0 EDADHO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(C(C)(C)N)no2)C[C@H](C)O1 ZINC000662690372 453409970 /nfs/dbraw/zinc/40/99/70/453409970.db2.gz ZWUUWPKAEJNPIO-BETUJISGSA-N 1 3 338.452 1.488 20 0 EDADHO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(C(C)(C)N)no2)C[C@H](C)O1 ZINC000662690372 453409981 /nfs/dbraw/zinc/40/99/81/453409981.db2.gz ZWUUWPKAEJNPIO-BETUJISGSA-N 1 3 338.452 1.488 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662716145 453439188 /nfs/dbraw/zinc/43/91/88/453439188.db2.gz AIAHOJIWTNIIJY-KRWDZBQOSA-N 1 3 333.476 1.674 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(C)(C)N)no2)c2ccccc2O1 ZINC000662752993 453488820 /nfs/dbraw/zinc/48/88/20/453488820.db2.gz WGNADCJAEMJBTD-GFCCVEGCSA-N 1 3 344.415 1.838 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445288 453531782 /nfs/dbraw/zinc/53/17/82/453531782.db2.gz PHUXHYUIYCIQCS-NVXWUHKLSA-N 1 3 337.533 1.854 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859798 453575160 /nfs/dbraw/zinc/57/51/60/453575160.db2.gz OSLNPAFACWVPLH-KRWDZBQOSA-N 1 3 333.476 1.635 20 0 EDADHO C[C@@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860701 453576607 /nfs/dbraw/zinc/57/66/07/453576607.db2.gz UIAIKOBOVAJIBS-IEBWSBKVSA-N 1 3 331.460 1.259 20 0 EDADHO C[NH+]1CCC(CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659031760 453589084 /nfs/dbraw/zinc/58/90/84/453589084.db2.gz BULPEBVTGGVPGL-KRWDZBQOSA-N 1 3 332.448 1.811 20 0 EDADHO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000659035425 453591820 /nfs/dbraw/zinc/59/18/20/453591820.db2.gz KJONJWXVOOMJDI-QZTJIDSGSA-N 1 3 342.443 1.826 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1csnn1 ZINC000665150129 453592607 /nfs/dbraw/zinc/59/26/07/453592607.db2.gz QRPNKEQBEUOFTF-RYUDHWBXSA-N 1 3 328.486 1.170 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1csnn1 ZINC000665150129 453592608 /nfs/dbraw/zinc/59/26/08/453592608.db2.gz QRPNKEQBEUOFTF-RYUDHWBXSA-N 1 3 328.486 1.170 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659095553 453628349 /nfs/dbraw/zinc/62/83/49/453628349.db2.gz DQRKUWWQTPOMBM-OAHLLOKOSA-N 1 3 332.448 1.334 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](CN)c2ccc(F)cc2)CCO1 ZINC000662972743 453631053 /nfs/dbraw/zinc/63/10/53/453631053.db2.gz LDSKKRCKCYTHCH-IAGOWNOFSA-N 1 3 337.439 1.437 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973260 453631533 /nfs/dbraw/zinc/63/15/33/453631533.db2.gz XNELQNYXSHLFBL-APWZRJJASA-N 1 3 337.508 1.757 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283223 453634609 /nfs/dbraw/zinc/63/46/09/453634609.db2.gz JKNUOVWPTJJESJ-AQNXPRMDSA-N 1 3 330.520 1.910 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000665283223 453634612 /nfs/dbraw/zinc/63/46/12/453634612.db2.gz JKNUOVWPTJJESJ-AQNXPRMDSA-N 1 3 330.520 1.910 20 0 EDADHO Cn1nc(C(F)(F)F)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000657349451 453771499 /nfs/dbraw/zinc/77/14/99/453771499.db2.gz HHPKGCDOABHOHD-UHFFFAOYSA-N 1 3 333.402 1.556 20 0 EDADHO Cn1nc(C(F)(F)F)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000657349451 453771501 /nfs/dbraw/zinc/77/15/01/453771501.db2.gz HHPKGCDOABHOHD-UHFFFAOYSA-N 1 3 333.402 1.556 20 0 EDADHO CC[C@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636658 453777691 /nfs/dbraw/zinc/77/76/91/453777691.db2.gz FMFVFJLPZZKDOA-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636658 453777695 /nfs/dbraw/zinc/77/76/95/453777695.db2.gz FMFVFJLPZZKDOA-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)C[NH+]1CCCCC1 ZINC000667793714 486968004 /nfs/dbraw/zinc/96/80/04/486968004.db2.gz KOOBQFSRCYDXPS-CQSZACIVSA-N 1 3 331.464 1.971 20 0 EDADHO C[C@@H](NCC(=O)N1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781792 487443698 /nfs/dbraw/zinc/44/36/98/487443698.db2.gz AVTABGARZJHCKB-MRXNPFEDSA-N 1 3 348.491 1.052 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519562 485485589 /nfs/dbraw/zinc/48/55/89/485485589.db2.gz IGBFEVXMPJIDPQ-ZTTBQOKTSA-N 1 3 349.519 1.757 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1ccccc1 ZINC000669545867 485536782 /nfs/dbraw/zinc/53/67/82/485536782.db2.gz IDKHDBVDROZYDF-LEUOFYLZSA-N 1 3 328.460 1.825 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669550905 485544218 /nfs/dbraw/zinc/54/42/18/485544218.db2.gz BLXIFOQLKAIQHI-MRXNPFEDSA-N 1 3 331.464 1.739 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669550978 485545296 /nfs/dbraw/zinc/54/52/96/485545296.db2.gz ZHYXQEZTMOPRED-FUHWJXTLSA-N 1 3 343.475 1.691 20 0 EDADHO c1cc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)n(-c2ccncc2)n1 ZINC000668298917 485579628 /nfs/dbraw/zinc/57/96/28/485579628.db2.gz OBHCTFNYRMVBBB-KRWDZBQOSA-N 1 3 341.459 1.954 20 0 EDADHO CN1CCN(CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000669580310 485625259 /nfs/dbraw/zinc/62/52/59/485625259.db2.gz ZGTNPBJJLWIMJC-WKILWMFISA-N 1 3 339.528 1.077 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436823 485749460 /nfs/dbraw/zinc/74/94/60/485749460.db2.gz OYOGCNYNEGTJRD-RTBURBONSA-N 1 3 345.487 1.703 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000668518718 485836856 /nfs/dbraw/zinc/83/68/56/485836856.db2.gz LJDNNRJVDFZWFL-KRWDZBQOSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669312717 485959749 /nfs/dbraw/zinc/95/97/49/485959749.db2.gz CQCLEZCSLGCHSV-PKOBYXMFSA-N 1 3 342.487 1.828 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000088577494 491196474 /nfs/dbraw/zinc/19/64/74/491196474.db2.gz ALMKNWSCUDFGOA-MRXNPFEDSA-N 1 3 334.464 1.837 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000088577494 491196475 /nfs/dbraw/zinc/19/64/75/491196475.db2.gz ALMKNWSCUDFGOA-MRXNPFEDSA-N 1 3 334.464 1.837 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000181054213 533746582 /nfs/dbraw/zinc/74/65/82/533746582.db2.gz SGZKYWPCHRQUDJ-YJBOKZPZSA-N 1 3 336.480 1.119 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154537310 528227923 /nfs/dbraw/zinc/22/79/23/528227923.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 1 3 348.535 1.488 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154537310 528227928 /nfs/dbraw/zinc/22/79/28/528227928.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 1 3 348.535 1.488 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)N[C@@H](C)C3)cc2)CC1 ZINC000153701295 529152994 /nfs/dbraw/zinc/15/29/94/529152994.db2.gz JYHJLZAUWUJVLV-IYBDPMFKSA-N 1 3 330.476 1.651 20 0 EDADHO CC(C)(CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCCC1 ZINC000262760558 535145250 /nfs/dbraw/zinc/14/52/50/535145250.db2.gz LKDCFMGFKXRGPH-OAHLLOKOSA-N 1 3 333.480 1.802 20 0 EDADHO CC(C)[NH+]1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000236818453 535162217 /nfs/dbraw/zinc/16/22/17/535162217.db2.gz HHJVYTNTDRIXQY-UHFFFAOYSA-N 1 3 325.478 1.339 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000130240482 535329747 /nfs/dbraw/zinc/32/97/47/535329747.db2.gz MWSXNDQPXGAEQR-INIZCTEOSA-N 1 3 340.512 1.469 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261602531 535608264 /nfs/dbraw/zinc/60/82/64/535608264.db2.gz ACKYODLPYBEEAD-SFHVURJKSA-N 1 3 333.476 1.899 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000262716375 535758533 /nfs/dbraw/zinc/75/85/33/535758533.db2.gz VOPZPFWFTDDLDS-SFHVURJKSA-N 1 3 333.480 1.309 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000237187819 535914643 /nfs/dbraw/zinc/91/46/43/535914643.db2.gz SRVPALHFVQKYKX-GOSISDBHSA-N 1 3 341.455 1.813 20 0 EDADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112677 536749761 /nfs/dbraw/zinc/74/97/61/536749761.db2.gz RNUKXXLWGYMIDL-CQSZACIVSA-N 1 3 337.489 1.704 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)N[C@@H](C)CN(C)C)CCCC2)CC1 ZINC000352930752 536753760 /nfs/dbraw/zinc/75/37/60/536753760.db2.gz LRAICCYPOHZKFB-HNNXBMFYSA-N 1 3 340.512 1.659 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)CC(F)F)CCCC2)CC1 ZINC000345802999 536754393 /nfs/dbraw/zinc/75/43/93/536754393.db2.gz MMIJHPXCTBOROG-ZDUSSCGKSA-N 1 3 333.423 1.509 20 0 EDADHO Cc1cc(C(N)=O)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741077925 579396291 /nfs/dbraw/zinc/39/62/91/579396291.db2.gz BLCIPOGNQOWMKZ-UHFFFAOYSA-N 1 3 335.452 1.051 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOC3CCC3)CC2)CC1 ZINC000743588833 579484788 /nfs/dbraw/zinc/48/47/88/579484788.db2.gz LMAZTHBWANNDIQ-UHFFFAOYSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768072 579490446 /nfs/dbraw/zinc/49/04/46/579490446.db2.gz SXHLSWULLVFDDA-OALUTQOASA-N 1 3 345.487 1.500 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768072 579490447 /nfs/dbraw/zinc/49/04/47/579490447.db2.gz SXHLSWULLVFDDA-OALUTQOASA-N 1 3 345.487 1.500 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000729285961 578563295 /nfs/dbraw/zinc/56/32/95/578563295.db2.gz VHSOHQHYWALKDW-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000729285961 578563296 /nfs/dbraw/zinc/56/32/96/578563296.db2.gz VHSOHQHYWALKDW-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760479628 580031721 /nfs/dbraw/zinc/03/17/21/580031721.db2.gz ZVNGZKYUPRDCJU-INIZCTEOSA-N 1 3 342.553 1.245 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000734277309 578804497 /nfs/dbraw/zinc/80/44/97/578804497.db2.gz UBVVRKALJBQYLE-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000734277309 578804498 /nfs/dbraw/zinc/80/44/98/578804498.db2.gz UBVVRKALJBQYLE-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000745823537 579564436 /nfs/dbraw/zinc/56/44/36/579564436.db2.gz CMAUGZRYWIHBGK-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000745823537 579564437 /nfs/dbraw/zinc/56/44/37/579564437.db2.gz CMAUGZRYWIHBGK-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000745822578 579564443 /nfs/dbraw/zinc/56/44/43/579564443.db2.gz AVKAQDDETXPSNE-QZTJIDSGSA-N 1 3 348.491 1.286 20 0 EDADHO CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000772878515 580322381 /nfs/dbraw/zinc/32/23/81/580322381.db2.gz MFTFYAWLJVXLLC-KBPBESRZSA-N 1 3 348.434 1.790 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775372679 580389511 /nfs/dbraw/zinc/38/95/11/580389511.db2.gz GASZUYIGHSEWNY-PMPSAXMXSA-N 1 3 329.579 1.983 20 0 EDADHO C[C@@H](NC(=S)NCCN(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778533034 580467063 /nfs/dbraw/zinc/46/70/63/580467063.db2.gz XWAHQIFLSZXRQG-WBVHZDCISA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H](NC(=S)NCCN(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533034 580467064 /nfs/dbraw/zinc/46/70/64/580467064.db2.gz XWAHQIFLSZXRQG-WBVHZDCISA-N 1 3 334.533 1.923 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000891816094 590634552 /nfs/dbraw/zinc/63/45/52/590634552.db2.gz MJYPJXZUVIEHFW-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000891816094 590634554 /nfs/dbraw/zinc/63/45/54/590634554.db2.gz MJYPJXZUVIEHFW-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO O=C(NC[C@H]1CCCCN1C1CC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891857439 590658167 /nfs/dbraw/zinc/65/81/67/590658167.db2.gz BEJTURQXGPHLOL-TZMCWYRMSA-N 1 3 330.423 1.547 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000891981596 590724900 /nfs/dbraw/zinc/72/49/00/590724900.db2.gz MKIBTPDDBRJOOT-RDJZCZTQSA-N 1 3 340.512 1.374 20 0 EDADHO Cc1nccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Br ZINC000892142345 590820426 /nfs/dbraw/zinc/82/04/26/590820426.db2.gz GCUUJOHGXQBOOW-NEPJUHHUSA-N 1 3 326.238 1.850 20 0 EDADHO Cc1nccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1Br ZINC000892142345 590820433 /nfs/dbraw/zinc/82/04/33/590820433.db2.gz GCUUJOHGXQBOOW-NEPJUHHUSA-N 1 3 326.238 1.850 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CNCCC1(F)F ZINC000892156348 590828554 /nfs/dbraw/zinc/82/85/54/590828554.db2.gz NKSNKHLBGDJKQO-HNNXBMFYSA-N 1 3 346.466 1.993 20 0 EDADHO [NH3+]CCN(CCO)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000892350781 590978935 /nfs/dbraw/zinc/97/89/35/590978935.db2.gz AGRJHIJWIOXSHY-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO CC1(C)CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3CN2)[NH2+]C1 ZINC000892378111 591000777 /nfs/dbraw/zinc/00/07/77/591000777.db2.gz QCBFJLJDHRKYGJ-DLBZAZTESA-N 1 3 330.476 1.778 20 0 EDADHO [NH3+][C@H](CCNC(=O)NC[C@@H]1CCCCN1CCO)Cc1ccccc1 ZINC000892407751 591015001 /nfs/dbraw/zinc/01/50/01/591015001.db2.gz DQYPYVQCVHSTME-MSOLQXFVSA-N 1 3 348.491 1.093 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491400 591048089 /nfs/dbraw/zinc/04/80/89/591048089.db2.gz JLZSPMXXJIATNQ-CVEARBPZSA-N 1 3 339.528 1.090 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891350309 591055032 /nfs/dbraw/zinc/05/50/32/591055032.db2.gz PLOBKPRGHFIKPF-MAUKXSAKSA-N 1 3 330.476 1.875 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000891535534 591111806 /nfs/dbraw/zinc/11/18/06/591111806.db2.gz UFTZPJIVZVGLLK-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000891535534 591111809 /nfs/dbraw/zinc/11/18/09/591111809.db2.gz UFTZPJIVZVGLLK-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538412 591113196 /nfs/dbraw/zinc/11/31/96/591113196.db2.gz XXDZKCWNVZWWCH-CABCVRRESA-N 1 3 326.485 1.175 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891634152 591160177 /nfs/dbraw/zinc/16/01/77/591160177.db2.gz MRSQZCDXXUAIOU-FUHWJXTLSA-N 1 3 338.496 1.460 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776057 591171489 /nfs/dbraw/zinc/17/14/89/591171489.db2.gz LXWCNLHDVPIKFU-HOTGVXAUSA-N 1 3 338.496 1.128 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892808135 591187095 /nfs/dbraw/zinc/18/70/95/591187095.db2.gz KQMBNELGIPIOFY-GOSISDBHSA-N 1 3 330.476 1.873 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892810278 591189152 /nfs/dbraw/zinc/18/91/52/591189152.db2.gz JRHYZZNIAYOXBW-QZTJIDSGSA-N 1 3 328.460 1.581 20 0 EDADHO CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)N1CCN(C)CC1 ZINC000891753106 591211728 /nfs/dbraw/zinc/21/17/28/591211728.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H]1C)N1CCN(C)CC1 ZINC000891753106 591211732 /nfs/dbraw/zinc/21/17/32/591211732.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC000894262361 591254540 /nfs/dbraw/zinc/25/45/40/591254540.db2.gz ZPXXDRLQJOYOOT-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H]2CO)cs1 ZINC000894262361 591254551 /nfs/dbraw/zinc/25/45/51/591254551.db2.gz ZPXXDRLQJOYOOT-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO CN(C)S(=O)(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000895811694 591278528 /nfs/dbraw/zinc/27/85/28/591278528.db2.gz XLJKXDYPHUTDRM-UHFFFAOYSA-N 1 3 338.477 1.064 20 0 EDADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895813394 591279162 /nfs/dbraw/zinc/27/91/62/591279162.db2.gz JPTJKPOMOKTTRJ-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO COC(=O)[C@H]1[C@H](C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083892 591574730 /nfs/dbraw/zinc/57/47/30/591574730.db2.gz CJVYBYBWNPQBCK-FXUDXRNXSA-N 1 3 338.398 1.976 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000896932779 591688280 /nfs/dbraw/zinc/68/82/80/591688280.db2.gz IYPJTCZBNYTZKX-OALUTQOASA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000896932779 591688283 /nfs/dbraw/zinc/68/82/83/591688283.db2.gz IYPJTCZBNYTZKX-OALUTQOASA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000895282025 591699418 /nfs/dbraw/zinc/69/94/18/591699418.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)C1CC1 ZINC000895282025 591699421 /nfs/dbraw/zinc/69/94/21/591699421.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO CC1([NH+]2CCCCC2)CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000899189437 591725651 /nfs/dbraw/zinc/72/56/51/591725651.db2.gz PAXCKIFSGJASBZ-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000898121811 591789199 /nfs/dbraw/zinc/78/91/99/591789199.db2.gz VPBMRWGTXNULOJ-UHFFFAOYSA-N 1 3 345.487 1.715 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000900015750 591868391 /nfs/dbraw/zinc/86/83/91/591868391.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 1 3 333.476 1.472 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000900015750 591868394 /nfs/dbraw/zinc/86/83/94/591868394.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 1 3 333.476 1.472 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000900106125 591909393 /nfs/dbraw/zinc/90/93/93/591909393.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 1 3 325.497 1.604 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000900106125 591909398 /nfs/dbraw/zinc/90/93/98/591909398.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 1 3 325.497 1.604 20 0 EDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900283160 591970647 /nfs/dbraw/zinc/97/06/47/591970647.db2.gz PXGQRTLGCOMKMH-SFHVURJKSA-N 1 3 327.513 1.660 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363863 591986846 /nfs/dbraw/zinc/98/68/46/591986846.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 1 3 331.504 1.773 20 0 EDADHO [NH3+]CCCC[C@H](NC[C@@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390376 591990145 /nfs/dbraw/zinc/99/01/45/591990145.db2.gz LHDRQDJVFZCPDK-CJNGLKHVSA-N 1 3 339.390 1.377 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)c2ccnn2CCN(C)C)([NH+](C)C)C1 ZINC000900320312 591990384 /nfs/dbraw/zinc/99/03/84/591990384.db2.gz DRNAOYSORFHICC-QAPCUYQASA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]([NH2+]CC1(N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000902417208 591992031 /nfs/dbraw/zinc/99/20/31/591992031.db2.gz XVDTYZYYIISXPL-ZDUSSCGKSA-N 1 3 349.456 1.900 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000902461229 591999799 /nfs/dbraw/zinc/99/97/99/591999799.db2.gz MUDIRRVMQHMTDM-ACJLOTCBSA-N 1 3 329.448 1.939 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000900407140 592010272 /nfs/dbraw/zinc/01/02/72/592010272.db2.gz PIYOXVHYHOHLSK-LJQANCHMSA-N 1 3 337.508 1.558 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000900407140 592010276 /nfs/dbraw/zinc/01/02/76/592010276.db2.gz PIYOXVHYHOHLSK-LJQANCHMSA-N 1 3 337.508 1.558 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)o1 ZINC000900418703 592013815 /nfs/dbraw/zinc/01/38/15/592013815.db2.gz RDUKQPUQIIEHOZ-GOSISDBHSA-N 1 3 337.464 1.325 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@]2(O)CCC[N@@H+](C)C2)o1 ZINC000900418703 592013817 /nfs/dbraw/zinc/01/38/17/592013817.db2.gz RDUKQPUQIIEHOZ-GOSISDBHSA-N 1 3 337.464 1.325 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1 ZINC000903118570 592123456 /nfs/dbraw/zinc/12/34/56/592123456.db2.gz FJNKCFQPOWPJBA-IEBWSBKVSA-N 1 3 347.459 1.016 20 0 EDADHO FC(F)(F)[C@H]1CC[C@H](CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460134 592171514 /nfs/dbraw/zinc/17/15/14/592171514.db2.gz XVZOHTIVNNQBFQ-YIYPIFLZSA-N 1 3 334.382 1.797 20 0 EDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903482439 592177011 /nfs/dbraw/zinc/17/70/11/592177011.db2.gz HWQXJFIULDXHIF-GJZGRUSLSA-N 1 3 331.416 1.015 20 0 EDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482439 592177012 /nfs/dbraw/zinc/17/70/12/592177012.db2.gz HWQXJFIULDXHIF-GJZGRUSLSA-N 1 3 331.416 1.015 20 0 EDADHO CCOC(=O)CN(C(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903500204 592180112 /nfs/dbraw/zinc/18/01/12/592180112.db2.gz VUNVYZSDGOWFDS-HZPDHXFCSA-N 1 3 347.459 1.499 20 0 EDADHO CNC(=O)c1cccc(NC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496648 592187803 /nfs/dbraw/zinc/18/78/03/592187803.db2.gz WVAJXJBVSCKRQL-UMVBOHGHSA-N 1 3 332.448 1.290 20 0 EDADHO C[C@H](C(=O)NC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510337 592190770 /nfs/dbraw/zinc/19/07/70/592190770.db2.gz HIKSUXQTPVTARG-LZQZEXGQSA-N 1 3 348.535 1.724 20 0 EDADHO C[C@H](C(=O)NC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510337 592190773 /nfs/dbraw/zinc/19/07/73/592190773.db2.gz HIKSUXQTPVTARG-LZQZEXGQSA-N 1 3 348.535 1.724 20 0 EDADHO CC1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)CC1 ZINC000903511708 592191062 /nfs/dbraw/zinc/19/10/62/592191062.db2.gz WNEHOFCHZNVJAH-JVPGXQPFSA-N 1 3 348.535 1.582 20 0 EDADHO CC1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)CC1 ZINC000903511708 592191064 /nfs/dbraw/zinc/19/10/64/592191064.db2.gz WNEHOFCHZNVJAH-JVPGXQPFSA-N 1 3 348.535 1.582 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000901025814 592203225 /nfs/dbraw/zinc/20/32/25/592203225.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000901025814 592203226 /nfs/dbraw/zinc/20/32/26/592203226.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 1 3 345.487 1.612 20 0 EDADHO CCN1CCC(NC(=O)CN2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567968 592223874 /nfs/dbraw/zinc/22/38/74/592223874.db2.gz HGGURFZAKFYOPM-CQSZACIVSA-N 1 3 348.466 1.364 20 0 EDADHO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000903575400 592227042 /nfs/dbraw/zinc/22/70/42/592227042.db2.gz NCVIZAMQRUHRLW-HNNXBMFYSA-N 1 3 325.478 1.511 20 0 EDADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000904391510 592243213 /nfs/dbraw/zinc/24/32/13/592243213.db2.gz HNGGQJRQHXRJJP-INIZCTEOSA-N 1 3 327.432 1.802 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@@H](C)C1 ZINC000906665424 592246833 /nfs/dbraw/zinc/24/68/33/592246833.db2.gz VOKVEXVQSALHDS-BBRMVZONSA-N 1 3 332.448 1.273 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@@H](C)C1 ZINC000906665424 592246834 /nfs/dbraw/zinc/24/68/34/592246834.db2.gz VOKVEXVQSALHDS-BBRMVZONSA-N 1 3 332.448 1.273 20 0 EDADHO O=C(CC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723628 592284118 /nfs/dbraw/zinc/28/41/18/592284118.db2.gz XDLMJPSZRRSWKN-HKUYNNGSSA-N 1 3 335.492 1.480 20 0 EDADHO NC(=O)c1ccc(CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725442 592285283 /nfs/dbraw/zinc/28/52/83/592285283.db2.gz ZQNGFPKBBZMGRV-SFHVURJKSA-N 1 3 343.471 1.909 20 0 EDADHO CCN1C[C@H](CN(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731966 592288091 /nfs/dbraw/zinc/28/80/91/592288091.db2.gz BKQALJSWPZHXSS-FUHIMQAGSA-N 1 3 345.487 1.974 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906719738 592289005 /nfs/dbraw/zinc/28/90/05/592289005.db2.gz MLNFRFQZMIIRPG-GVDBMIGSSA-N 1 3 344.459 1.476 20 0 EDADHO CCc1ccc([C@@H]2CNCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747066 592293729 /nfs/dbraw/zinc/29/37/29/592293729.db2.gz OVHUFQILMKIRQJ-SLFFLAALSA-N 1 3 329.488 1.964 20 0 EDADHO CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903740021 592302119 /nfs/dbraw/zinc/30/21/19/592302119.db2.gz RTFAIENABCZDGL-SJORKVTESA-N 1 3 345.491 1.536 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000906740339 592305643 /nfs/dbraw/zinc/30/56/43/592305643.db2.gz HVPBHZAWGGUIIT-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO CN1CC[C@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC000908096749 592314098 /nfs/dbraw/zinc/31/40/98/592314098.db2.gz LUUYXMGEPURLJH-IAGOWNOFSA-N 1 3 342.443 1.836 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNC[C@@H](c2ccccc2)N(C)C)cnn1C ZINC000903925283 592380025 /nfs/dbraw/zinc/38/00/25/592380025.db2.gz DHTWVPQJUYANAN-APWZRJJASA-N 1 3 329.492 1.738 20 0 EDADHO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903924934 592380070 /nfs/dbraw/zinc/38/00/70/592380070.db2.gz KSOGKEINILHFLT-BLLLJJGKSA-N 1 3 332.496 1.417 20 0 EDADHO Cc1nn(C)c(C)c1C[C@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903924934 592380073 /nfs/dbraw/zinc/38/00/73/592380073.db2.gz KSOGKEINILHFLT-BLLLJJGKSA-N 1 3 332.496 1.417 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](CN)Cc1cnn(C)c1C ZINC000903925137 592380168 /nfs/dbraw/zinc/38/01/68/592380168.db2.gz KSOGKEINILHFLT-WBMJQRKESA-N 1 3 332.496 1.417 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)NC[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925137 592380173 /nfs/dbraw/zinc/38/01/73/592380173.db2.gz KSOGKEINILHFLT-WBMJQRKESA-N 1 3 332.496 1.417 20 0 EDADHO CN(C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203441 592380414 /nfs/dbraw/zinc/38/04/14/592380414.db2.gz DBHGQNDSULAVHK-AEFFLSMTSA-N 1 3 337.439 1.391 20 0 EDADHO CN(C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203441 592380417 /nfs/dbraw/zinc/38/04/17/592380417.db2.gz DBHGQNDSULAVHK-AEFFLSMTSA-N 1 3 337.439 1.391 20 0 EDADHO CN1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928151 592381460 /nfs/dbraw/zinc/38/14/60/592381460.db2.gz WJJGYDDBXNOHGD-MRXNPFEDSA-N 1 3 326.448 1.655 20 0 EDADHO CCOc1ccc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nn1 ZINC000903933347 592385135 /nfs/dbraw/zinc/38/51/35/592385135.db2.gz PFGCZBSWTLBWKT-MQVJKMGUSA-N 1 3 331.464 1.528 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc3c(c1)OCCO3)C2 ZINC000903979134 592400328 /nfs/dbraw/zinc/40/03/28/592400328.db2.gz WKDWTHGNCKMSGC-IYOUNJFTSA-N 1 3 332.400 1.170 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000904282638 592468726 /nfs/dbraw/zinc/46/87/26/592468726.db2.gz UNYJQBXGIRHJRC-KRWDZBQOSA-N 1 3 345.491 1.948 20 0 EDADHO [NH3+]C1(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000904320488 592476286 /nfs/dbraw/zinc/47/62/86/592476286.db2.gz JHNZVEHCUBLRAR-UHFFFAOYSA-N 1 3 334.489 1.891 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334838 592508778 /nfs/dbraw/zinc/50/87/78/592508778.db2.gz DCRSTMSPDDAEBH-HNNXBMFYSA-N 1 3 345.553 1.806 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504869 592546806 /nfs/dbraw/zinc/54/68/06/592546806.db2.gz ZMEVAMMKEDYPQF-LTFPLMDUSA-N 1 3 332.488 1.659 20 0 EDADHO C[C@@H](O)CN1CCC(C[N@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932698 592687678 /nfs/dbraw/zinc/68/76/78/592687678.db2.gz NXKJIQDBEUGERS-WSVYEEACSA-N 1 3 330.416 1.280 20 0 EDADHO C[C@@H](O)CN1CCC(C[N@@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932698 592687679 /nfs/dbraw/zinc/68/76/79/592687679.db2.gz NXKJIQDBEUGERS-WSVYEEACSA-N 1 3 330.416 1.280 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000907862342 592819534 /nfs/dbraw/zinc/81/95/34/592819534.db2.gz RAMRLMVDZQWPEL-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000907862342 592819537 /nfs/dbraw/zinc/81/95/37/592819537.db2.gz RAMRLMVDZQWPEL-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734281686 592959287 /nfs/dbraw/zinc/95/92/87/592959287.db2.gz BSYSZFNXTKQSSK-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000911220236 592961418 /nfs/dbraw/zinc/96/14/18/592961418.db2.gz UELGHTVBLPCXQU-KRWDZBQOSA-N 1 3 346.475 1.013 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720903 592988182 /nfs/dbraw/zinc/98/81/82/592988182.db2.gz KDIVOWXFZORXKS-SDMNGIDPSA-N 1 3 331.460 1.980 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)C[C@@H](N)Cc1ccc(Br)cc1 ZINC000911743445 592994934 /nfs/dbraw/zinc/99/49/34/592994934.db2.gz CHWQWOVBQBTSGS-MFKMUULPSA-N 1 3 328.254 1.563 20 0 EDADHO CC[C@@](C)(CC(=O)OC)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000839521604 593310395 /nfs/dbraw/zinc/31/03/95/593310395.db2.gz MKNPEOBFUHNVEN-KRWDZBQOSA-N 1 3 327.469 1.297 20 0 EDADHO Cc1cc(C)cc([C@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000819043683 593735431 /nfs/dbraw/zinc/73/54/31/593735431.db2.gz UAPZTMDSZFSTGN-LJQANCHMSA-N 1 3 347.503 1.869 20 0 EDADHO CN1C[C@H]2CCN(C(=O)CCc3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000820273662 593805311 /nfs/dbraw/zinc/80/53/11/593805311.db2.gz YZORUHYHGDJJQY-IEBWSBKVSA-N 1 3 345.487 1.722 20 0 EDADHO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824590305 594043750 /nfs/dbraw/zinc/04/37/50/594043750.db2.gz BGEFZWISKXLXHX-AWEZNQCLSA-N 1 3 343.479 1.543 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000822897172 594118706 /nfs/dbraw/zinc/11/87/06/594118706.db2.gz BPWLATFKUIFAES-SFHVURJKSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000822897172 594118707 /nfs/dbraw/zinc/11/87/07/594118707.db2.gz BPWLATFKUIFAES-SFHVURJKSA-N 1 3 339.524 1.801 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825576287 594202721 /nfs/dbraw/zinc/20/27/21/594202721.db2.gz DCYAAEYRPSIDFX-BBRMVZONSA-N 1 3 332.452 1.874 20 0 EDADHO COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000826192901 594371261 /nfs/dbraw/zinc/37/12/61/594371261.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000826192901 594371264 /nfs/dbraw/zinc/37/12/64/594371264.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826192901 594371267 /nfs/dbraw/zinc/37/12/67/594371267.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826192901 594371270 /nfs/dbraw/zinc/37/12/70/594371270.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826781066 594574393 /nfs/dbraw/zinc/57/43/93/594574393.db2.gz UHHINPSNUSDQTO-UHFFFAOYSA-N 1 3 329.444 1.997 20 0 EDADHO [NH3+][C@@H](CC(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000826947107 594607741 /nfs/dbraw/zinc/60/77/41/594607741.db2.gz RWUIHJNPWGVEGV-IBGZPJMESA-N 1 3 344.503 1.438 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831411707 594625851 /nfs/dbraw/zinc/62/58/51/594625851.db2.gz FOBKLSRLMWCKKT-INIZCTEOSA-N 1 3 325.403 1.982 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(F)CCNC2)CCOCC1)c1ccccc1 ZINC000829581299 594644845 /nfs/dbraw/zinc/64/48/45/594644845.db2.gz ZDPHUXMXJLJLST-HNAYVOBHSA-N 1 3 349.450 1.704 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000841004568 594837635 /nfs/dbraw/zinc/83/76/35/594837635.db2.gz LRBMPFHDAIIXSY-JXFKEZNVSA-N 1 3 345.487 1.629 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018654 594840210 /nfs/dbraw/zinc/84/02/10/594840210.db2.gz ZQYVTKDFOFFYEG-INIZCTEOSA-N 1 3 331.464 1.702 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000841100399 594850952 /nfs/dbraw/zinc/85/09/52/594850952.db2.gz XOVMZKYBZQQRAD-HKUYNNGSSA-N 1 3 347.459 1.269 20 0 EDADHO N[C@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847191 594964160 /nfs/dbraw/zinc/96/41/60/594964160.db2.gz SMHYWJJDYXAODU-CHWSQXEVSA-N 1 3 341.358 1.516 20 0 EDADHO CON(C)C(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000843095157 595286535 /nfs/dbraw/zinc/28/65/35/595286535.db2.gz NCTBBRGMPGQOEH-QGZVFWFLSA-N 1 3 335.448 1.143 20 0 EDADHO CON(C)C(=O)CCNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000843095157 595286537 /nfs/dbraw/zinc/28/65/37/595286537.db2.gz NCTBBRGMPGQOEH-QGZVFWFLSA-N 1 3 335.448 1.143 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844177414 595293645 /nfs/dbraw/zinc/29/36/45/595293645.db2.gz IQJQHUUCMWYBIR-RBUKOAKNSA-N 1 3 345.487 1.783 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844180072 595294160 /nfs/dbraw/zinc/29/41/60/595294160.db2.gz SKRMLJZAODLALY-INIZCTEOSA-N 1 3 346.475 1.900 20 0 EDADHO C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H]2CSCCN2)n1 ZINC000843187433 595301463 /nfs/dbraw/zinc/30/14/63/595301463.db2.gz PXOPKAPHKOVXFC-CYBMUJFWSA-N 1 3 348.472 1.925 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717883 595435408 /nfs/dbraw/zinc/43/54/08/595435408.db2.gz YVZKTFJMOXOXMQ-RYUDHWBXSA-N 1 3 343.415 1.408 20 0 EDADHO [NH2+]=C(NC[C@H](O)C(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849059405 595476651 /nfs/dbraw/zinc/47/66/51/595476651.db2.gz SMDSZDWXEPBURJ-AWEZNQCLSA-N 1 3 344.381 1.688 20 0 EDADHO CN(C)C(=O)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849066065 595477158 /nfs/dbraw/zinc/47/71/58/595477158.db2.gz UFDIPOXTIJHRKN-UHFFFAOYSA-N 1 3 345.491 1.633 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C1=NO[C@H](CN)C1 ZINC000852857595 595579234 /nfs/dbraw/zinc/57/92/34/595579234.db2.gz YCAQWTHGRCHPIF-ZDUSSCGKSA-N 1 3 334.420 1.449 20 0 EDADHO COc1cc(CNC(=O)C=C2CC[NH2+]CC2)ccc1OCCN(C)C ZINC000852861107 595582250 /nfs/dbraw/zinc/58/22/50/595582250.db2.gz ORGJDEULRJRTQK-UHFFFAOYSA-N 1 3 347.459 1.562 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849585339 595582771 /nfs/dbraw/zinc/58/27/71/595582771.db2.gz LBWABUTWWLYMRY-ROUUACIJSA-N 1 3 347.507 1.400 20 0 EDADHO NC[C@@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861742 595582925 /nfs/dbraw/zinc/58/29/25/595582925.db2.gz IIKAZBGLCZKIDS-CVEARBPZSA-N 1 3 330.432 1.118 20 0 EDADHO NC[C@@H]1CC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861742 595582928 /nfs/dbraw/zinc/58/29/28/595582928.db2.gz IIKAZBGLCZKIDS-CVEARBPZSA-N 1 3 330.432 1.118 20 0 EDADHO COc1cccc([C@H](O)C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)c1 ZINC000860144190 595594587 /nfs/dbraw/zinc/59/45/87/595594587.db2.gz WANYKXPIRNECAV-AZUAARDMSA-N 1 3 348.487 1.897 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852887238 595599541 /nfs/dbraw/zinc/59/95/41/595599541.db2.gz JBTXODZMBCYRLE-INIZCTEOSA-N 1 3 345.447 1.259 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000852908449 595610158 /nfs/dbraw/zinc/61/01/58/595610158.db2.gz XQNYRKZZWZOJSB-RBUKOAKNSA-N 1 3 345.487 1.530 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCn4cncc43)CC2)CC1 ZINC000857979327 595674245 /nfs/dbraw/zinc/67/42/45/595674245.db2.gz WBRKKTGYZNRPGP-KRWDZBQOSA-N 1 3 345.491 1.640 20 0 EDADHO Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346031 595680784 /nfs/dbraw/zinc/68/07/84/595680784.db2.gz MAGOKGKEZJPCFY-ZDUSSCGKSA-N 1 3 340.899 1.974 20 0 EDADHO Cc1nc(Cl)ccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346031 595680785 /nfs/dbraw/zinc/68/07/85/595680785.db2.gz MAGOKGKEZJPCFY-ZDUSSCGKSA-N 1 3 340.899 1.974 20 0 EDADHO CN(C)C1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000855529940 595748766 /nfs/dbraw/zinc/74/87/66/595748766.db2.gz VXUMGLJKQGVQKS-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000861561465 596030011 /nfs/dbraw/zinc/03/00/11/596030011.db2.gz HDRUQMCOFOMSRN-QGZVFWFLSA-N 1 3 347.507 1.577 20 0 EDADHO CSc1ccccc1CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711252 596304809 /nfs/dbraw/zinc/30/48/09/596304809.db2.gz GIBSQPVKZKVCGG-ZNMIVQPWSA-N 1 3 333.457 1.775 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCN(CC(C)(C)O)C1)c1ccccc1 ZINC000869778192 596630538 /nfs/dbraw/zinc/63/05/38/596630538.db2.gz AMLSBPHCOHRJEY-IRXDYDNUSA-N 1 3 333.476 1.641 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868149081 596702783 /nfs/dbraw/zinc/70/27/83/596702783.db2.gz UAQMQGLSGOFAEL-GASCZTMLSA-N 1 3 331.464 1.687 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)CC[C@@H]21 ZINC000868171768 596710064 /nfs/dbraw/zinc/71/00/64/596710064.db2.gz TUAXWZNWXBYEEM-NJAFHUGGSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)CC[C@@H]21 ZINC000868171768 596710065 /nfs/dbraw/zinc/71/00/65/596710065.db2.gz TUAXWZNWXBYEEM-NJAFHUGGSA-N 1 3 344.459 1.905 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@H]1C[NH+](C)C ZINC000870023505 596713729 /nfs/dbraw/zinc/71/37/29/596713729.db2.gz AQPSRRSEOIEKID-ZFHLEULCSA-N 1 3 349.519 1.580 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N1CCCC1 ZINC000868224192 596734038 /nfs/dbraw/zinc/73/40/38/596734038.db2.gz DGFBAXKFEUNELT-VBNZEHGJSA-N 1 3 330.432 1.040 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872145812 596810517 /nfs/dbraw/zinc/81/05/17/596810517.db2.gz ZLKAJJOZFZAUSS-JVNPIMRCSA-N 1 3 335.448 1.201 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@]2(C[NH3+])CCCOC2)n1 ZINC000872174157 596820686 /nfs/dbraw/zinc/82/06/86/596820686.db2.gz FVLJCPRMEHISHC-SFHVURJKSA-N 1 3 346.431 1.684 20 0 EDADHO COc1cc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)ccc1OCCN(C)C ZINC000872281802 596866310 /nfs/dbraw/zinc/86/63/10/596866310.db2.gz VYCSJAHTZPVWCR-VCBZYWHSSA-N 1 3 347.459 1.379 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000872281995 596866727 /nfs/dbraw/zinc/86/67/27/596866727.db2.gz YVUMWFAADOSQCZ-TWMKSMIVSA-N 1 3 325.497 1.900 20 0 EDADHO CC1(C)CC[NH2+]CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000872297224 596872283 /nfs/dbraw/zinc/87/22/83/596872283.db2.gz JKXLJVJEGVLCQP-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000875713008 596957481 /nfs/dbraw/zinc/95/74/81/596957481.db2.gz IMZIJZMRYQNYQE-DZGCQCFKSA-N 1 3 336.484 1.417 20 0 EDADHO Cc1nccnc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000875713008 596957482 /nfs/dbraw/zinc/95/74/82/596957482.db2.gz IMZIJZMRYQNYQE-DZGCQCFKSA-N 1 3 336.484 1.417 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000876202372 597131937 /nfs/dbraw/zinc/13/19/37/597131937.db2.gz MWYDADFQAMTUSV-FUHWJXTLSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000876202372 597131941 /nfs/dbraw/zinc/13/19/41/597131941.db2.gz MWYDADFQAMTUSV-FUHWJXTLSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988881 597233040 /nfs/dbraw/zinc/23/30/40/597233040.db2.gz GXSUJMWVEZFOPB-IRXDYDNUSA-N 1 3 348.491 1.434 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988881 597233042 /nfs/dbraw/zinc/23/30/42/597233042.db2.gz GXSUJMWVEZFOPB-IRXDYDNUSA-N 1 3 348.491 1.434 20 0 EDADHO COc1ccc([C@@H](N[C@H]2CCN(CC(C)(C)O)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000873235108 597234920 /nfs/dbraw/zinc/23/49/20/597234920.db2.gz JHOONSUBDXXTGS-QXAKKESOSA-N 1 3 347.503 1.923 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)c1c(CN)cnn1C)Cc1ccccc1 ZINC000876722471 597306085 /nfs/dbraw/zinc/30/60/85/597306085.db2.gz VWLLCGNQCGREOW-KRWDZBQOSA-N 1 3 343.475 1.562 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C)C(C)(C)CC2)CC1 ZINC000875215338 597335836 /nfs/dbraw/zinc/33/58/36/597335836.db2.gz IHESGPZCDCGIOX-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876875888 597365740 /nfs/dbraw/zinc/36/57/40/597365740.db2.gz DIBPSXGWHHWEEV-ROUUACIJSA-N 1 3 335.467 1.957 20 0 EDADHO COC(=O)c1cccc2c(C[NH2+]C[C@@H](O)CN3CCCC3)ccnc12 ZINC000876965271 597400398 /nfs/dbraw/zinc/40/03/98/597400398.db2.gz ATJZGIKWGDPEJN-OAHLLOKOSA-N 1 3 343.427 1.568 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245483 597477109 /nfs/dbraw/zinc/47/71/09/597477109.db2.gz DFIUDHTWFXHKMF-XMTFNYHQSA-N 1 3 330.476 1.093 20 0 EDADHO C[C@@H]1C[C@@H](N[C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000877627282 597542600 /nfs/dbraw/zinc/54/26/00/597542600.db2.gz NIMOOXJBLVYKNT-QLFBSQMISA-N 1 3 339.480 1.837 20 0 EDADHO C[C@@H]1C[C@@H](N[C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1C ZINC000877627282 597542601 /nfs/dbraw/zinc/54/26/01/597542601.db2.gz NIMOOXJBLVYKNT-QLFBSQMISA-N 1 3 339.480 1.837 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000877728724 597551598 /nfs/dbraw/zinc/55/15/98/597551598.db2.gz SPGGJGWRFXJCHY-INIZCTEOSA-N 1 3 326.481 1.397 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1)N1CCCCC1 ZINC000992691022 695207966 /nfs/dbraw/zinc/20/79/66/695207966.db2.gz MSRHSUWZMMEJBE-YESZJQIVSA-N 1 3 337.508 1.460 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000992831128 695394525 /nfs/dbraw/zinc/39/45/25/695394525.db2.gz HWSCVOHOMYSEGJ-JQHSSLGASA-N 1 3 339.443 1.764 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000915136306 695748610 /nfs/dbraw/zinc/74/86/10/695748610.db2.gz OXSFWKQLZUVBOC-NVXWUHKLSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000915136306 695748612 /nfs/dbraw/zinc/74/86/12/695748612.db2.gz OXSFWKQLZUVBOC-NVXWUHKLSA-N 1 3 338.496 1.269 20 0 EDADHO CN(CCC[NH+]1CCCC1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915195287 695759400 /nfs/dbraw/zinc/75/94/00/695759400.db2.gz RYQVHEYAPGKWDF-INIZCTEOSA-N 1 3 329.510 1.220 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000916360509 696655063 /nfs/dbraw/zinc/65/50/63/696655063.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000916360509 696655065 /nfs/dbraw/zinc/65/50/65/696655065.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994412406 696838531 /nfs/dbraw/zinc/83/85/31/696838531.db2.gz VERZXPSZSMAYLF-SJLPKXTDSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994412406 696838533 /nfs/dbraw/zinc/83/85/33/696838533.db2.gz VERZXPSZSMAYLF-SJLPKXTDSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000940008636 700110749 /nfs/dbraw/zinc/11/07/49/700110749.db2.gz WMOSFCGBMFTWEI-OAHLLOKOSA-N 1 3 334.464 1.856 20 0 EDADHO C[C@@H](NC(=O)NC[C@H]1CCN1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388946 697587901 /nfs/dbraw/zinc/58/79/01/697587901.db2.gz WVMQPIMGANLBMK-GDBMZVCRSA-N 1 3 340.512 1.515 20 0 EDADHO O=C(NCC1CN(C[C@H]2CCCCO2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764728 699049733 /nfs/dbraw/zinc/04/97/33/699049733.db2.gz MGWFWWITOOYMGP-QGZVFWFLSA-N 1 3 335.492 1.480 20 0 EDADHO COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939213868 699363859 /nfs/dbraw/zinc/36/38/59/699363859.db2.gz GPRVTCDVGQPQLU-KBXCAEBGSA-N 1 3 342.443 1.735 20 0 EDADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1ccccn1 ZINC000939424590 699574175 /nfs/dbraw/zinc/57/41/75/699574175.db2.gz YEGBMYZUHRZLQZ-CRAIPNDOSA-N 1 3 346.475 1.129 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCc3cnn(C)c3)[C@@H](C)C2)CC1 ZINC000939452579 699584270 /nfs/dbraw/zinc/58/42/70/699584270.db2.gz AALSFPZIOSEUIC-YJBOKZPZSA-N 1 3 347.507 1.477 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)N(C)C ZINC000940164826 700300131 /nfs/dbraw/zinc/30/01/31/700300131.db2.gz ZTYXBKUWOZCBJI-SJORKVTESA-N 1 3 339.524 1.970 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)cn1 ZINC000940178825 700312310 /nfs/dbraw/zinc/31/23/10/700312310.db2.gz MCOPWKSVGGYWED-QGZVFWFLSA-N 1 3 345.491 1.740 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940179516 700313324 /nfs/dbraw/zinc/31/33/24/700313324.db2.gz WMNJEGFYSAYUGT-CQSZACIVSA-N 1 3 337.493 1.493 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)N(C)C ZINC000940307623 700489561 /nfs/dbraw/zinc/48/95/61/700489561.db2.gz VHSOCANZUPITLC-MRXNPFEDSA-N 1 3 335.496 1.477 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1)N(C)C ZINC000940334141 700514218 /nfs/dbraw/zinc/51/42/18/700514218.db2.gz GRMDZBCYYBFIPI-ZDUSSCGKSA-N 1 3 339.509 1.657 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940461991 700665624 /nfs/dbraw/zinc/66/56/24/700665624.db2.gz VKDMXMHDSHVWFI-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000940461991 700665626 /nfs/dbraw/zinc/66/56/26/700665626.db2.gz VKDMXMHDSHVWFI-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345315 701480740 /nfs/dbraw/zinc/48/07/40/701480740.db2.gz RMYIFBAYRLVWJR-GOSISDBHSA-N 1 3 348.535 1.345 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031978949 702113800 /nfs/dbraw/zinc/11/38/00/702113800.db2.gz QABYIQSOSJXGGY-OAHLLOKOSA-N 1 3 333.476 1.487 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)CCC1 ZINC000995900737 702206999 /nfs/dbraw/zinc/20/69/99/702206999.db2.gz YVRCPMRCGQRHIO-MRXNPFEDSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999204184 706649795 /nfs/dbraw/zinc/64/97/95/706649795.db2.gz DEXSFKZKHJRTEE-YESZJQIVSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999204184 706649798 /nfs/dbraw/zinc/64/97/98/706649798.db2.gz DEXSFKZKHJRTEE-YESZJQIVSA-N 1 3 333.480 1.231 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918403 702237887 /nfs/dbraw/zinc/23/78/87/702237887.db2.gz NPBZIUVGLMUEAJ-KRWDZBQOSA-N 1 3 337.508 1.724 20 0 EDADHO CO[C@@H](Cc1ccccc1)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186307 702323358 /nfs/dbraw/zinc/32/33/58/702323358.db2.gz NEZZVFURCLRZHP-OALUTQOASA-N 1 3 345.487 1.244 20 0 EDADHO CO[C@@H](Cc1ccccc1)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186307 702323367 /nfs/dbraw/zinc/32/33/67/702323367.db2.gz NEZZVFURCLRZHP-OALUTQOASA-N 1 3 345.487 1.244 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299890 702691173 /nfs/dbraw/zinc/69/11/73/702691173.db2.gz GHJSHWMRUZUNEY-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354399 702732047 /nfs/dbraw/zinc/73/20/47/702732047.db2.gz HJXYAFPIIDALTO-CABCVRRESA-N 1 3 334.464 1.594 20 0 EDADHO CCOC1CC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354918 702732789 /nfs/dbraw/zinc/73/27/89/702732789.db2.gz JICWCDJDNZANMM-AVVWSFFYSA-N 1 3 334.464 1.594 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518244 702853865 /nfs/dbraw/zinc/85/38/65/702853865.db2.gz IUFQMRXYLNNQDA-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518244 702853868 /nfs/dbraw/zinc/85/38/68/702853868.db2.gz IUFQMRXYLNNQDA-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996560967 702874930 /nfs/dbraw/zinc/87/49/30/702874930.db2.gz MALCYZCMLCIIFH-INIZCTEOSA-N 1 3 348.516 1.874 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996615132 702922542 /nfs/dbraw/zinc/92/25/42/702922542.db2.gz PEAZVBXLHAFOIT-UKRRQHHQSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)s1 ZINC000996615132 702922545 /nfs/dbraw/zinc/92/25/45/702922545.db2.gz PEAZVBXLHAFOIT-UKRRQHHQSA-N 1 3 336.505 1.730 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623065 702928414 /nfs/dbraw/zinc/92/84/14/702928414.db2.gz UZOUCYYDFJSWQX-QZTJIDSGSA-N 1 3 344.459 1.025 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000996646253 702948308 /nfs/dbraw/zinc/94/83/08/702948308.db2.gz RNZWSLRJZWAKLC-OAHLLOKOSA-N 1 3 337.493 1.493 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000996646253 702948310 /nfs/dbraw/zinc/94/83/10/702948310.db2.gz RNZWSLRJZWAKLC-OAHLLOKOSA-N 1 3 337.493 1.493 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671119 702972338 /nfs/dbraw/zinc/97/23/38/702972338.db2.gz MFGYNYPSWIODAM-KRWDZBQOSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996677561 702976661 /nfs/dbraw/zinc/97/66/61/702976661.db2.gz LBLYDTNQFGPPTN-KRWDZBQOSA-N 1 3 334.464 1.712 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996690080 702987475 /nfs/dbraw/zinc/98/74/75/702987475.db2.gz OIDUBDXFCHJKQY-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690080 702987476 /nfs/dbraw/zinc/98/74/76/702987476.db2.gz OIDUBDXFCHJKQY-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000996727491 703022269 /nfs/dbraw/zinc/02/22/69/703022269.db2.gz GIMKOKOBHRYRTG-QGZVFWFLSA-N 1 3 346.475 1.655 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001032027411 703049333 /nfs/dbraw/zinc/04/93/33/703049333.db2.gz RCCBABXMYPOXNU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001032027411 703049335 /nfs/dbraw/zinc/04/93/35/703049335.db2.gz RCCBABXMYPOXNU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997004611 703261714 /nfs/dbraw/zinc/26/17/14/703261714.db2.gz FNXIQNYDULHDGY-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997004611 703261717 /nfs/dbraw/zinc/26/17/17/703261717.db2.gz FNXIQNYDULHDGY-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)ccn1 ZINC000997039227 703290231 /nfs/dbraw/zinc/29/02/31/703290231.db2.gz BHCDSUCJZJCRNL-UHFFFAOYSA-N 1 3 329.404 1.137 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997043581 703296184 /nfs/dbraw/zinc/29/61/84/703296184.db2.gz ZSJYBRFEGTXFLA-UHFFFAOYSA-N 1 3 328.416 1.742 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997060765 703305724 /nfs/dbraw/zinc/30/57/24/703305724.db2.gz JMJXNOHJDNUKTA-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997060765 703305726 /nfs/dbraw/zinc/30/57/26/703305726.db2.gz JMJXNOHJDNUKTA-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997187328 703476988 /nfs/dbraw/zinc/47/69/88/703476988.db2.gz XRMUNRPJIILRPT-CQSZACIVSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997187328 703476989 /nfs/dbraw/zinc/47/69/89/703476989.db2.gz XRMUNRPJIILRPT-CQSZACIVSA-N 1 3 336.505 1.874 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367118 703601538 /nfs/dbraw/zinc/60/15/38/703601538.db2.gz UBGVGIXDHVNXHS-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000997611780 703911914 /nfs/dbraw/zinc/91/19/14/703911914.db2.gz HIGFFZDPXVXGBL-QAPCUYQASA-N 1 3 345.491 1.768 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001033098821 704208618 /nfs/dbraw/zinc/20/86/18/704208618.db2.gz KOGRCTCQRQVREC-YESZJQIVSA-N 1 3 333.480 1.146 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001033098821 704208619 /nfs/dbraw/zinc/20/86/19/704208619.db2.gz KOGRCTCQRQVREC-YESZJQIVSA-N 1 3 333.480 1.146 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCO2)CC[N@@H+]1C ZINC001032586741 705105946 /nfs/dbraw/zinc/10/59/46/705105946.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 1 3 335.492 1.571 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCO2)CC[N@H+]1C ZINC001032586741 705105948 /nfs/dbraw/zinc/10/59/48/705105948.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 1 3 335.492 1.571 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000998033262 705218194 /nfs/dbraw/zinc/21/81/94/705218194.db2.gz YAINHXTYNMBKIJ-UHFFFAOYSA-N 1 3 347.507 1.399 20 0 EDADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998081564 705301815 /nfs/dbraw/zinc/30/18/15/705301815.db2.gz JNNOEWNHKLQACT-ZDUSSCGKSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998081564 705301817 /nfs/dbraw/zinc/30/18/17/705301817.db2.gz JNNOEWNHKLQACT-ZDUSSCGKSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082216 705309155 /nfs/dbraw/zinc/30/91/55/705309155.db2.gz OPEKDOMBKBYXRX-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998082568 705310428 /nfs/dbraw/zinc/31/04/28/705310428.db2.gz QTAYZHOUSDITIQ-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000998267937 705639373 /nfs/dbraw/zinc/63/93/73/705639373.db2.gz AOBSXYQDYBJDEK-UHFFFAOYSA-N 1 3 346.475 1.976 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1 ZINC000946517246 706522017 /nfs/dbraw/zinc/52/20/17/706522017.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 1 3 345.491 1.185 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1 ZINC000946517246 706522019 /nfs/dbraw/zinc/52/20/19/706522019.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 1 3 345.491 1.185 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)C1CC(NCc2ccc(F)cn2)C1 ZINC000999340730 706852286 /nfs/dbraw/zinc/85/22/86/706852286.db2.gz FHAKPCJZZQJXAG-UHFFFAOYSA-N 1 3 334.439 1.642 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)n1 ZINC000999379551 706873408 /nfs/dbraw/zinc/87/34/08/706873408.db2.gz ZHYRUZIWWQKKPJ-MSOLQXFVSA-N 1 3 347.507 1.421 20 0 EDADHO COc1cccc(CN[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362246 706875700 /nfs/dbraw/zinc/87/57/00/706875700.db2.gz AJABAFSBNZXSBT-SJLPKXTDSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1cccnc1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999367153 706880899 /nfs/dbraw/zinc/88/08/99/706880899.db2.gz DSDXHRWZSBMFOC-WMZOPIPTSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999410421 706920456 /nfs/dbraw/zinc/92/04/56/706920456.db2.gz XFQNRLIVVOYSTQ-RWBZWWBESA-N 1 3 330.476 1.811 20 0 EDADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276711 707341237 /nfs/dbraw/zinc/34/12/37/707341237.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276711 707341241 /nfs/dbraw/zinc/34/12/41/707341241.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 1 3 335.492 1.428 20 0 EDADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001033183561 707360649 /nfs/dbraw/zinc/36/06/49/707360649.db2.gz ZNJCWPMJVVMPLP-ROUUACIJSA-N 1 3 349.519 1.964 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795218 707366517 /nfs/dbraw/zinc/36/65/17/707366517.db2.gz YLXWBYGRQCYMIB-SJLPKXTDSA-N 1 3 345.491 1.375 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033317581 707504982 /nfs/dbraw/zinc/50/49/82/707504982.db2.gz BOBZHUYMYWBBTE-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001033317581 707504987 /nfs/dbraw/zinc/50/49/87/707504987.db2.gz BOBZHUYMYWBBTE-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO Cc1nocc1CN[C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974773 707805351 /nfs/dbraw/zinc/80/53/51/707805351.db2.gz AOPAJTLHPYPREY-NVXWUHKLSA-N 1 3 346.475 1.938 20 0 EDADHO C[NH+]1CCC(C(=O)NCC2CCN(Cc3ccccn3)CC2)CC1 ZINC001001794544 708309405 /nfs/dbraw/zinc/30/94/05/708309405.db2.gz GTRBDFWESGBYKU-UHFFFAOYSA-N 1 3 330.476 1.752 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002119751 708632866 /nfs/dbraw/zinc/63/28/66/708632866.db2.gz DNSWOMQLHUFLIG-INIZCTEOSA-N 1 3 333.480 1.008 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002119751 708632868 /nfs/dbraw/zinc/63/28/68/708632868.db2.gz DNSWOMQLHUFLIG-INIZCTEOSA-N 1 3 333.480 1.008 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CCCO)C2)C1 ZINC001033932057 709099244 /nfs/dbraw/zinc/09/92/44/709099244.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 1 3 325.497 1.414 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CCCO)C2)C1 ZINC001033932057 709099248 /nfs/dbraw/zinc/09/92/48/709099248.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 1 3 325.497 1.414 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001034647330 710323496 /nfs/dbraw/zinc/32/34/96/710323496.db2.gz FMJQMWOSHBQQDX-YFHUEUNASA-N 1 3 345.491 1.642 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)ncn1 ZINC001034647330 710323500 /nfs/dbraw/zinc/32/35/00/710323500.db2.gz FMJQMWOSHBQQDX-YFHUEUNASA-N 1 3 345.491 1.642 20 0 EDADHO OC1(CNCc2cnn(CCF)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000922184340 710369381 /nfs/dbraw/zinc/36/93/81/710369381.db2.gz DILCBUILITZEEM-UHFFFAOYSA-N 1 3 346.450 1.969 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)N1CCCC1 ZINC001034704459 710815010 /nfs/dbraw/zinc/81/50/10/710815010.db2.gz QFBNDGBSMNTRQC-QAQDUYKDSA-N 1 3 347.507 1.775 20 0 EDADHO Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034735857 710922275 /nfs/dbraw/zinc/92/22/75/710922275.db2.gz OBTDIEMJJMFXLU-JQFCIGGWSA-N 1 3 334.464 1.984 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034787132 711092449 /nfs/dbraw/zinc/09/24/49/711092449.db2.gz YHPQITPMAGTMPK-BZUAXINKSA-N 1 3 334.464 1.704 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034953727 711418586 /nfs/dbraw/zinc/41/85/86/711418586.db2.gz HMUCDCPOZHFYAB-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034953727 711418588 /nfs/dbraw/zinc/41/85/88/711418588.db2.gz HMUCDCPOZHFYAB-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(CC(F)F)c1)C2 ZINC000922389700 711438355 /nfs/dbraw/zinc/43/83/55/711438355.db2.gz JJOXUQXEPZTHPN-TXCZRRACSA-N 1 3 342.434 1.718 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnn(CC(F)F)c1)C2 ZINC000922389700 711438357 /nfs/dbraw/zinc/43/83/57/711438357.db2.gz JJOXUQXEPZTHPN-TXCZRRACSA-N 1 3 342.434 1.718 20 0 EDADHO Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccnn2-c2ccncc2)[nH]1 ZINC000922408825 711484407 /nfs/dbraw/zinc/48/44/07/711484407.db2.gz ZSBLCBKCQJMRRS-CZUORRHYSA-N 1 3 339.403 1.561 20 0 EDADHO Cc1nc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccnn2-c2ccncc2)n[nH]1 ZINC000922408825 711484408 /nfs/dbraw/zinc/48/44/08/711484408.db2.gz ZSBLCBKCQJMRRS-CZUORRHYSA-N 1 3 339.403 1.561 20 0 EDADHO CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000559463545 306255379 /nfs/dbraw/zinc/25/53/79/306255379.db2.gz WALQUCPWYZZBFV-HNNXBMFYSA-N 1 3 325.478 1.368 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000169212222 529980356 /nfs/dbraw/zinc/98/03/56/529980356.db2.gz QLHOHXKDBWJDOL-PBHICJAKSA-N 1 3 346.475 1.647 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000168964566 529993502 /nfs/dbraw/zinc/99/35/02/529993502.db2.gz HRDPDXIEBHFOFQ-JKSUJKDBSA-N 1 3 333.476 1.858 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CNc3ccccc3)CC2)CC1 ZINC000166562581 530049810 /nfs/dbraw/zinc/04/98/10/530049810.db2.gz CVNZYGTWYQHVMD-UHFFFAOYSA-N 1 3 330.476 1.773 20 0 EDADHO CN1CCC(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332972616 539618685 /nfs/dbraw/zinc/61/86/85/539618685.db2.gz CUBCCIXEBBFTSI-ZWKOTPCHSA-N 1 3 337.508 1.602 20 0 EDADHO c1cnc(N2CCN(CCCN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700060 /nfs/dbraw/zinc/70/00/60/539700060.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 1 3 344.507 1.205 20 0 EDADHO c1cnc(N2CCN(CCCN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700062 /nfs/dbraw/zinc/70/00/62/539700062.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 1 3 344.507 1.205 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000347329547 539863975 /nfs/dbraw/zinc/86/39/75/539863975.db2.gz YKSRHZQUZRDISJ-WKULXVSPSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000347329547 539863981 /nfs/dbraw/zinc/86/39/81/539863981.db2.gz YKSRHZQUZRDISJ-WKULXVSPSA-N 1 3 325.497 1.015 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210592 306323848 /nfs/dbraw/zinc/32/38/48/306323848.db2.gz BOIBHUJCBHGSJI-YJBOKZPZSA-N 1 3 330.476 1.016 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000249074475 283061763 /nfs/dbraw/zinc/06/17/63/283061763.db2.gz NEDLBZPWSHPEDJ-HDMKZQKVSA-N 1 3 325.497 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000249074475 283061764 /nfs/dbraw/zinc/06/17/64/283061764.db2.gz NEDLBZPWSHPEDJ-HDMKZQKVSA-N 1 3 325.497 1.709 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000175236381 283171367 /nfs/dbraw/zinc/17/13/67/283171367.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 1 3 341.544 1.290 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000175236381 283171369 /nfs/dbraw/zinc/17/13/69/283171369.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 1 3 341.544 1.290 20 0 EDADHO CCCCO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796844 138132720 /nfs/dbraw/zinc/13/27/20/138132720.db2.gz IOYBTUAYBUFRAU-HNNXBMFYSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000352798014 291127039 /nfs/dbraw/zinc/12/70/39/291127039.db2.gz WYBGBTZZBKSXRV-YJBOKZPZSA-N 1 3 334.508 1.288 20 0 EDADHO CCN1CCN(c2ccccc2NC(=O)CC(F)(F)CN)CC1 ZINC000565151675 306376028 /nfs/dbraw/zinc/37/60/28/306376028.db2.gz OQAGCXNPGGNNPT-UHFFFAOYSA-N 1 3 326.391 1.751 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565823087 306392158 /nfs/dbraw/zinc/39/21/58/306392158.db2.gz KHGUPCQJTWQCIQ-SOLBZPMBSA-N 1 3 330.476 1.890 20 0 EDADHO CN(C)Cc1ccc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc1 ZINC000414481667 304118408 /nfs/dbraw/zinc/11/84/08/304118408.db2.gz LZQQPBMIQVQGHC-UHFFFAOYSA-N 1 3 327.392 1.406 20 0 EDADHO C[C@](CO)(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072286 291333217 /nfs/dbraw/zinc/33/32/17/291333217.db2.gz IXXKPBPMJGTDAH-MTQWCTHYSA-N 1 3 332.488 1.974 20 0 EDADHO CCOc1cc(C)nc(N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414694656 304128330 /nfs/dbraw/zinc/12/83/30/304128330.db2.gz NHQCMMUJJMJGHI-HOCLYGCPSA-N 1 3 333.480 1.694 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414695721 304128628 /nfs/dbraw/zinc/12/86/28/304128628.db2.gz OPLTZBOTZDZMLR-IAGOWNOFSA-N 1 3 336.524 1.441 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000414694758 304128398 /nfs/dbraw/zinc/12/83/98/304128398.db2.gz NRUMTZDZCRYMCI-APWZRJJASA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000414694758 304128400 /nfs/dbraw/zinc/12/84/00/304128400.db2.gz NRUMTZDZCRYMCI-APWZRJJASA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)C1 ZINC000414699344 304129484 /nfs/dbraw/zinc/12/94/84/304129484.db2.gz SZSSPMZLEPNTLR-KRWDZBQOSA-N 1 3 331.460 1.802 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(O)c2)CC2CC2)C1 ZINC000414699344 304129485 /nfs/dbraw/zinc/12/94/85/304129485.db2.gz SZSSPMZLEPNTLR-KRWDZBQOSA-N 1 3 331.460 1.802 20 0 EDADHO COc1ccccc1[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414699965 304129531 /nfs/dbraw/zinc/12/95/31/304129531.db2.gz JZGOCYMABWPTBP-CVEARBPZSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccccc1[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414699965 304129533 /nfs/dbraw/zinc/12/95/33/304129533.db2.gz JZGOCYMABWPTBP-CVEARBPZSA-N 1 3 331.460 1.682 20 0 EDADHO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706142 304130352 /nfs/dbraw/zinc/13/03/52/304130352.db2.gz KYONIAOVVPCKKY-IIDMSEBBSA-N 1 3 331.460 1.508 20 0 EDADHO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706142 304130353 /nfs/dbraw/zinc/13/03/53/304130353.db2.gz KYONIAOVVPCKKY-IIDMSEBBSA-N 1 3 331.460 1.508 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000264763499 284197189 /nfs/dbraw/zinc/19/71/89/284197189.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 1 3 328.460 1.751 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000264763499 284197190 /nfs/dbraw/zinc/19/71/90/284197190.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 1 3 328.460 1.751 20 0 EDADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000415136222 304162947 /nfs/dbraw/zinc/16/29/47/304162947.db2.gz CJNHCJHTJQENIX-UHFFFAOYSA-N 1 3 327.428 1.946 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000236886558 139034133 /nfs/dbraw/zinc/03/41/33/139034133.db2.gz YZMGQFACBIZZMO-IBGZPJMESA-N 1 3 346.519 1.814 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415169492 304169896 /nfs/dbraw/zinc/16/98/96/304169896.db2.gz WAYHNVSBLMQTQN-CVEARBPZSA-N 1 3 330.432 1.169 20 0 EDADHO C[NH2+]CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237213456 139044661 /nfs/dbraw/zinc/04/46/61/139044661.db2.gz YMOZLVQVIJVHFG-UHFFFAOYSA-N 1 3 325.840 1.519 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237459691 139051763 /nfs/dbraw/zinc/05/17/63/139051763.db2.gz QAYUPAJDIRNCIZ-CQSZACIVSA-N 1 3 348.495 1.443 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237973871 139065531 /nfs/dbraw/zinc/06/55/31/139065531.db2.gz KCDPQOBIOAOTJG-MJGOQNOKSA-N 1 3 344.503 1.832 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000238056023 139067881 /nfs/dbraw/zinc/06/78/81/139067881.db2.gz PZXWZTRZCCONPE-ZWKOTPCHSA-N 1 3 347.528 1.762 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000238056023 139067882 /nfs/dbraw/zinc/06/78/82/139067882.db2.gz PZXWZTRZCCONPE-ZWKOTPCHSA-N 1 3 347.528 1.762 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(CC2CCCCC2)CC1 ZINC000238082181 139068411 /nfs/dbraw/zinc/06/84/11/139068411.db2.gz GUIYCOIGIXHISA-INIZCTEOSA-N 1 3 325.522 1.806 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000111847308 220207343 /nfs/dbraw/zinc/20/73/43/220207343.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000111847308 220207349 /nfs/dbraw/zinc/20/73/49/220207349.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000238093712 139068821 /nfs/dbraw/zinc/06/88/21/139068821.db2.gz CQSGMCNVPJTELF-IRXDYDNUSA-N 1 3 333.501 1.862 20 0 EDADHO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415272800 304182637 /nfs/dbraw/zinc/18/26/37/304182637.db2.gz QJXBIJHNMXGTCM-INIZCTEOSA-N 1 3 344.459 1.561 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)C1 ZINC000415365053 304204731 /nfs/dbraw/zinc/20/47/31/304204731.db2.gz SZFVMSFHUPVFEN-HNNXBMFYSA-N 1 3 332.448 1.206 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000248398046 139161915 /nfs/dbraw/zinc/16/19/15/139161915.db2.gz MMJBRDLWLHZFJL-ZWKOTPCHSA-N 1 3 332.492 1.432 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000248859767 139178048 /nfs/dbraw/zinc/17/80/48/139178048.db2.gz PQLDJJMPRHGDDD-WMLDXEAASA-N 1 3 336.455 1.877 20 0 EDADHO CNC(=O)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821539 218172133 /nfs/dbraw/zinc/17/21/33/218172133.db2.gz AIYVGRZMDLDPMQ-UHFFFAOYSA-N 1 3 333.436 1.076 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000261603335 139209940 /nfs/dbraw/zinc/20/99/40/139209940.db2.gz CALXHHNINXMEMD-MRXNPFEDSA-N 1 3 327.432 1.159 20 0 EDADHO N[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000261675798 139216524 /nfs/dbraw/zinc/21/65/24/139216524.db2.gz GODZTERNOCQVML-SFHVURJKSA-N 1 3 331.460 1.653 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261904232 139235588 /nfs/dbraw/zinc/23/55/88/139235588.db2.gz FMUJQDARXCHIQL-SFHVURJKSA-N 1 3 343.471 1.972 20 0 EDADHO N[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000261913502 139236419 /nfs/dbraw/zinc/23/64/19/139236419.db2.gz XXQGGZORRKPERF-GOSISDBHSA-N 1 3 331.460 1.653 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415491317 304224962 /nfs/dbraw/zinc/22/49/62/304224962.db2.gz DFDSLMNHNGGVSD-RDJZCZTQSA-N 1 3 346.475 1.808 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000414918858 250887455 /nfs/dbraw/zinc/88/74/55/250887455.db2.gz ZOKLZKVXGYKGJS-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262128175 139253231 /nfs/dbraw/zinc/25/32/31/139253231.db2.gz CUEMRZGXOQOIOV-YJBOKZPZSA-N 1 3 349.450 1.785 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000416878897 251116563 /nfs/dbraw/zinc/11/65/63/251116563.db2.gz FJBZNJAEKQLLOR-UHFFFAOYSA-N 1 3 348.491 1.788 20 0 EDADHO COCC1(CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002638 251126589 /nfs/dbraw/zinc/12/65/89/251126589.db2.gz AUAACJOAUYQUKT-CVEARBPZSA-N 1 3 340.512 1.422 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024469 251139247 /nfs/dbraw/zinc/13/92/47/251139247.db2.gz QKFIBGSTUVHILF-SJLPKXTDSA-N 1 3 347.507 1.272 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000417522355 251182045 /nfs/dbraw/zinc/18/20/45/251182045.db2.gz GEZWCSWZQMYETC-QGZVFWFLSA-N 1 3 334.464 1.206 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417520166 251183280 /nfs/dbraw/zinc/18/32/80/251183280.db2.gz WSSIXZXDZVRDHW-MSOLQXFVSA-N 1 3 348.491 1.829 20 0 EDADHO COCC1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000262376319 139274414 /nfs/dbraw/zinc/27/44/14/139274414.db2.gz NCNFURSNACZOKB-UHFFFAOYSA-N 1 3 349.475 1.259 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000417831415 251288787 /nfs/dbraw/zinc/28/87/87/251288787.db2.gz QSOOZYLHHSDSBV-TZMCWYRMSA-N 1 3 328.420 1.777 20 0 EDADHO C[C@](N)(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417845056 251295522 /nfs/dbraw/zinc/29/55/22/251295522.db2.gz RQWMYCWOKJCVCQ-FAFZWHIHSA-N 1 3 330.476 1.193 20 0 EDADHO C[C@](N)(C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417845056 251295526 /nfs/dbraw/zinc/29/55/26/251295526.db2.gz RQWMYCWOKJCVCQ-FAFZWHIHSA-N 1 3 330.476 1.193 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000417806705 251279092 /nfs/dbraw/zinc/27/90/92/251279092.db2.gz JEYOKRAVZAFXND-ZBFHGGJFSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@@](N)(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417845057 251295940 /nfs/dbraw/zinc/29/59/40/251295940.db2.gz RQWMYCWOKJCVCQ-TVPLGVNVSA-N 1 3 330.476 1.193 20 0 EDADHO C[C@@](N)(C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000417845057 251295943 /nfs/dbraw/zinc/29/59/43/251295943.db2.gz RQWMYCWOKJCVCQ-TVPLGVNVSA-N 1 3 330.476 1.193 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 ZINC000417942917 251317287 /nfs/dbraw/zinc/31/72/87/251317287.db2.gz CCCIMNCMESRGBN-UHFFFAOYSA-N 1 3 349.479 1.163 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418201838 251356445 /nfs/dbraw/zinc/35/64/45/251356445.db2.gz HXRACEADTRWSGI-NORZTCDRSA-N 1 3 340.418 1.660 20 0 EDADHO C[NH2+]CCCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262620167 139290747 /nfs/dbraw/zinc/29/07/47/139290747.db2.gz DTDKBGCKEYSZJU-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262631382 139291559 /nfs/dbraw/zinc/29/15/59/139291559.db2.gz FGTHCPBZCKDQFV-RYRKJORJSA-N 1 3 332.492 1.465 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262654217 139293318 /nfs/dbraw/zinc/29/33/18/139293318.db2.gz SXQWWVCMTKJOIE-ROUUACIJSA-N 1 3 344.503 1.832 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000262713676 139298262 /nfs/dbraw/zinc/29/82/62/139298262.db2.gz DCMBOFYOVWSNRY-MRXNPFEDSA-N 1 3 332.492 1.568 20 0 EDADHO CCN1CCN(c2ccc(C[NH2+][C@H](C)C[C@H]3COCCN3)cn2)CC1 ZINC000422882535 252009838 /nfs/dbraw/zinc/00/98/38/252009838.db2.gz SNGBLXIUQSVEKU-AEFFLSMTSA-N 1 3 347.507 1.080 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320361 252046574 /nfs/dbraw/zinc/04/65/74/252046574.db2.gz GDBWLNYMBZRYNO-RDJZCZTQSA-N 1 3 339.505 1.873 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858059 252093916 /nfs/dbraw/zinc/09/39/16/252093916.db2.gz YTUIPHWZKSDKBH-WDSOQIARSA-N 1 3 345.487 1.782 20 0 EDADHO CN(C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424158135 252148097 /nfs/dbraw/zinc/14/80/97/252148097.db2.gz QNMHVCINLLHPKS-MRXNPFEDSA-N 1 3 342.447 1.411 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180290 252154656 /nfs/dbraw/zinc/15/46/56/252154656.db2.gz NXCIITUZBPAEHA-IRXDYDNUSA-N 1 3 325.497 1.853 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCCC2(C)C)c1 ZINC000424447307 252235210 /nfs/dbraw/zinc/23/52/10/252235210.db2.gz LDEZURHKZJQFLC-UHFFFAOYSA-N 1 3 332.448 1.383 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000097049371 285033717 /nfs/dbraw/zinc/03/37/17/285033717.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000097049371 285033719 /nfs/dbraw/zinc/03/37/19/285033719.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150366 285032270 /nfs/dbraw/zinc/03/22/70/285032270.db2.gz JQIUARFRDRGKCX-ZWKOTPCHSA-N 1 3 333.476 1.906 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246953403 285200994 /nfs/dbraw/zinc/20/09/94/285200994.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246953403 285200995 /nfs/dbraw/zinc/20/09/95/285200995.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415752698 304265224 /nfs/dbraw/zinc/26/52/24/304265224.db2.gz BKMXJYGLESZNDL-UHFFFAOYSA-N 1 3 334.464 1.629 20 0 EDADHO CN(C[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1)C(=O)OC(C)(C)C ZINC000496169411 255360352 /nfs/dbraw/zinc/36/03/52/255360352.db2.gz IVIGSKCYPWXCJV-OAHLLOKOSA-N 1 3 343.512 1.926 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(C)C1CC1 ZINC000118127941 221126680 /nfs/dbraw/zinc/12/66/80/221126680.db2.gz QQOZXVGISVEFQZ-CQSZACIVSA-N 1 3 346.475 1.328 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418443776 285314193 /nfs/dbraw/zinc/31/41/93/285314193.db2.gz NWGMYBQEIJNJKE-OAHLLOKOSA-N 1 3 327.517 1.075 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735774 285318554 /nfs/dbraw/zinc/31/85/54/285318554.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735774 285318561 /nfs/dbraw/zinc/31/85/61/285318561.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 1 3 339.528 1.042 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)COCc1ccco1 ZINC000119311985 221291437 /nfs/dbraw/zinc/29/14/37/221291437.db2.gz AGQWTDNZUBZYKQ-KRWDZBQOSA-N 1 3 339.480 1.115 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)COCc1ccco1 ZINC000119311985 221291439 /nfs/dbraw/zinc/29/14/39/221291439.db2.gz AGQWTDNZUBZYKQ-KRWDZBQOSA-N 1 3 339.480 1.115 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000415879523 304283443 /nfs/dbraw/zinc/28/34/43/304283443.db2.gz POUINFJVDVIPTH-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000415879523 304283444 /nfs/dbraw/zinc/28/34/44/304283444.db2.gz POUINFJVDVIPTH-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO CNCc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000415923637 304285575 /nfs/dbraw/zinc/28/55/75/304285575.db2.gz WVPGGAWBTDLIDN-QGZVFWFLSA-N 1 3 334.464 1.764 20 0 EDADHO CNCc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000415923637 304285576 /nfs/dbraw/zinc/28/55/76/304285576.db2.gz WVPGGAWBTDLIDN-QGZVFWFLSA-N 1 3 334.464 1.764 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000415929436 304285954 /nfs/dbraw/zinc/28/59/54/304285954.db2.gz HCHUZUICBFNESX-KRWDZBQOSA-N 1 3 334.464 1.764 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CCCN(CCCO)C1 ZINC000416239997 304299457 /nfs/dbraw/zinc/29/94/57/304299457.db2.gz MIXJSYGNWSFJRV-LJQANCHMSA-N 1 3 345.487 1.398 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCCN(CCCO)C1 ZINC000416239997 304299460 /nfs/dbraw/zinc/29/94/60/304299460.db2.gz MIXJSYGNWSFJRV-LJQANCHMSA-N 1 3 345.487 1.398 20 0 EDADHO CN(c1ccccc1CNC[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000269967987 140026113 /nfs/dbraw/zinc/02/61/13/140026113.db2.gz KGKSKKWVWLGUSC-LJQANCHMSA-N 1 3 333.476 1.458 20 0 EDADHO CN(c1ccccc1C[NH2+]C[C@]1(O)CCOC1)C1CCN(C)CC1 ZINC000269967987 140026115 /nfs/dbraw/zinc/02/61/15/140026115.db2.gz KGKSKKWVWLGUSC-LJQANCHMSA-N 1 3 333.476 1.458 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000332138828 141129796 /nfs/dbraw/zinc/12/97/96/141129796.db2.gz MRFRCVKUPCFBQO-DOTOQJQBSA-N 1 3 345.491 1.948 20 0 EDADHO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@H]2C1 ZINC000333322047 141299127 /nfs/dbraw/zinc/29/91/27/141299127.db2.gz NDOZBGJOHVLCDN-BBRMVZONSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCCO4)[C@H]2C1 ZINC000333322047 141299129 /nfs/dbraw/zinc/29/91/29/141299129.db2.gz NDOZBGJOHVLCDN-BBRMVZONSA-N 1 3 330.432 1.727 20 0 EDADHO COCc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000333341998 141302559 /nfs/dbraw/zinc/30/25/59/141302559.db2.gz YHPIRUVLSNVAHP-LVQVYYBASA-N 1 3 333.480 1.640 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333766418 141376436 /nfs/dbraw/zinc/37/64/36/141376436.db2.gz BIEBKVWYSRBGML-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CNc3cccc(F)c3)CC2)CC1 ZINC000345685517 143121291 /nfs/dbraw/zinc/12/12/91/143121291.db2.gz BLNROVXDNSKIKG-UHFFFAOYSA-N 1 3 348.466 1.912 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)N(C)C1 ZINC000346698247 143233724 /nfs/dbraw/zinc/23/37/24/143233724.db2.gz KJHONFFMGVAJSV-HZPDHXFCSA-N 1 3 349.475 1.418 20 0 EDADHO CCN1CCN(c2ccccc2CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000346816275 143248461 /nfs/dbraw/zinc/24/84/61/143248461.db2.gz CZZDNNUIRGSMDT-YTQUADARSA-N 1 3 328.504 1.998 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067965 143278502 /nfs/dbraw/zinc/27/85/02/143278502.db2.gz KTVUOICZEVXSPU-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000347258318 143301086 /nfs/dbraw/zinc/30/10/86/143301086.db2.gz CCWKZSWTHJGGCM-SZMVWBNQSA-N 1 3 333.476 1.290 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000341417784 292168394 /nfs/dbraw/zinc/16/83/94/292168394.db2.gz BPUPFVCBWKBJNX-AWEZNQCLSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000416858321 304352353 /nfs/dbraw/zinc/35/23/53/304352353.db2.gz YXYOUTPYAVXQDG-NJAFHUGGSA-N 1 3 332.492 1.928 20 0 EDADHO CCOC1CC(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000352872340 149197590 /nfs/dbraw/zinc/19/75/90/149197590.db2.gz MIKLXBVRXCPSCW-CGZBRXJRSA-N 1 3 325.497 1.676 20 0 EDADHO CCOC1CC(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000352872340 149197592 /nfs/dbraw/zinc/19/75/92/149197592.db2.gz MIKLXBVRXCPSCW-CGZBRXJRSA-N 1 3 325.497 1.676 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000353089926 149281512 /nfs/dbraw/zinc/28/15/12/149281512.db2.gz ZYJHNSVXJLDFBL-INIZCTEOSA-N 1 3 340.512 1.166 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417030881 304362598 /nfs/dbraw/zinc/36/25/98/304362598.db2.gz WYAUCDIHDGPSHV-SJORKVTESA-N 1 3 347.507 1.229 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036344 304363916 /nfs/dbraw/zinc/36/39/16/304363916.db2.gz HPJJYXHGRUTXDP-IRXDYDNUSA-N 1 3 339.528 1.221 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000357951202 151208032 /nfs/dbraw/zinc/20/80/32/151208032.db2.gz BZPZQTDECQQQEP-HOCLYGCPSA-N 1 3 330.542 1.843 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000357951202 151208033 /nfs/dbraw/zinc/20/80/33/151208033.db2.gz BZPZQTDECQQQEP-HOCLYGCPSA-N 1 3 330.542 1.843 20 0 EDADHO CCN1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000358004451 151231556 /nfs/dbraw/zinc/23/15/56/151231556.db2.gz PHKQIOHQCQHYAT-UHFFFAOYSA-N 1 3 328.526 1.597 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085472 151265445 /nfs/dbraw/zinc/26/54/45/151265445.db2.gz MXEXRJFWFVAQJM-DVOMOZLQSA-N 1 3 325.478 1.876 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358495333 151395383 /nfs/dbraw/zinc/39/53/83/151395383.db2.gz HXUKZYVBEGOGEQ-ZACQAIPSSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358495333 151395386 /nfs/dbraw/zinc/39/53/86/151395386.db2.gz HXUKZYVBEGOGEQ-ZACQAIPSSA-N 1 3 339.528 1.137 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N[C@H]1CCOc2ccccc21 ZINC000358498766 151395722 /nfs/dbraw/zinc/39/57/22/151395722.db2.gz MWQCJDCPRRMISQ-INIZCTEOSA-N 1 3 329.444 1.702 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000360695079 152156644 /nfs/dbraw/zinc/15/66/44/152156644.db2.gz NWIPLYVRKOXVFT-AWEZNQCLSA-N 1 3 328.526 1.549 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164613 152323643 /nfs/dbraw/zinc/32/36/43/152323643.db2.gz RKEADWZAODFQFJ-ROUUACIJSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164613 152323645 /nfs/dbraw/zinc/32/36/45/152323645.db2.gz RKEADWZAODFQFJ-ROUUACIJSA-N 1 3 341.540 1.824 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184905 152328918 /nfs/dbraw/zinc/32/89/18/152328918.db2.gz ZOADWPLQRCHOOY-GDBMZVCRSA-N 1 3 331.460 1.955 20 0 EDADHO COC[C@@H](Cc1ccccc1)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361333330 152364005 /nfs/dbraw/zinc/36/40/05/152364005.db2.gz BJUJHHMUZVSZMS-LJQANCHMSA-N 1 3 347.503 1.776 20 0 EDADHO C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000362396770 152696707 /nfs/dbraw/zinc/69/67/07/152696707.db2.gz PUHODEOKAHGMNZ-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCN1CCOCC1(C)C ZINC000363784274 153055538 /nfs/dbraw/zinc/05/55/38/153055538.db2.gz AVDCCAWMUNUUCY-KZNAEPCWSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCN1CCOCC1(C)C ZINC000363784274 153055539 /nfs/dbraw/zinc/05/55/39/153055539.db2.gz AVDCCAWMUNUUCY-KZNAEPCWSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000364250334 153186186 /nfs/dbraw/zinc/18/61/86/153186186.db2.gz SXKYKWXKOZROCS-SDKBWNRFSA-N 1 3 337.508 1.842 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364302740 153200750 /nfs/dbraw/zinc/20/07/50/153200750.db2.gz KQNIUOBNYFBFSF-SQNIBIBYSA-N 1 3 327.403 1.649 20 0 EDADHO COCCN1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417304708 304391631 /nfs/dbraw/zinc/39/16/31/304391631.db2.gz ZUOQABBMJJCUSP-AWEZNQCLSA-N 1 3 334.464 1.616 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000371607202 156027457 /nfs/dbraw/zinc/02/74/57/156027457.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000371607202 156027460 /nfs/dbraw/zinc/02/74/60/156027460.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417530948 304403650 /nfs/dbraw/zinc/40/36/50/304403650.db2.gz SWVHZZBQZDZUIG-FUHWJXTLSA-N 1 3 348.491 1.596 20 0 EDADHO C[C@H](O)COC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373860781 157037814 /nfs/dbraw/zinc/03/78/14/157037814.db2.gz VFNOLFKATNUROB-ARFHVFGLSA-N 1 3 342.480 1.122 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374155868 157169033 /nfs/dbraw/zinc/16/90/33/157169033.db2.gz BYEKREJHNFBSBB-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@]2(F)CCNC2)cc1 ZINC000378202713 158107694 /nfs/dbraw/zinc/10/76/94/158107694.db2.gz HJEPLBASJMDPAZ-SFHVURJKSA-N 1 3 337.439 1.725 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352365285 162142425 /nfs/dbraw/zinc/14/24/25/162142425.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 1 3 332.492 1.290 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000352365285 162142429 /nfs/dbraw/zinc/14/24/29/162142429.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 1 3 332.492 1.290 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCSCC1 ZINC000073976175 287267087 /nfs/dbraw/zinc/26/70/87/287267087.db2.gz WXOJBXPMLIHDMN-INIZCTEOSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCSCC1 ZINC000073976175 287267088 /nfs/dbraw/zinc/26/70/88/287267088.db2.gz WXOJBXPMLIHDMN-INIZCTEOSA-N 1 3 342.553 1.940 20 0 EDADHO CN(Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000638029446 452279257 /nfs/dbraw/zinc/27/92/57/452279257.db2.gz PMNCLUNXNUDGKT-UHFFFAOYSA-N 1 3 345.896 1.761 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)CO1 ZINC000665763640 452345110 /nfs/dbraw/zinc/34/51/10/452345110.db2.gz HSLFARIWSDKDHK-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)CO1 ZINC000665763640 452345122 /nfs/dbraw/zinc/34/51/22/452345122.db2.gz HSLFARIWSDKDHK-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000665763595 452343459 /nfs/dbraw/zinc/34/34/59/452343459.db2.gz GOGBASHBKMEDQR-STQMWFEESA-N 1 3 334.455 1.849 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000665763595 452343473 /nfs/dbraw/zinc/34/34/73/452343473.db2.gz GOGBASHBKMEDQR-STQMWFEESA-N 1 3 334.455 1.849 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000418505620 304505061 /nfs/dbraw/zinc/50/50/61/304505061.db2.gz FSQWDVLCAFQJAR-QGZVFWFLSA-N 1 3 340.512 1.376 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000195145387 267883616 /nfs/dbraw/zinc/88/36/16/267883616.db2.gz WZSIAFXOFKRPAS-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000274767953 268201758 /nfs/dbraw/zinc/20/17/58/268201758.db2.gz JEBKWCFNMMBXOI-APWZRJJASA-N 1 3 345.487 1.516 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000277422360 273195048 /nfs/dbraw/zinc/19/50/48/273195048.db2.gz AWLCGMIAFZJONO-AWEZNQCLSA-N 1 3 337.439 1.913 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398756 /nfs/dbraw/zinc/39/87/56/273398756.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398757 /nfs/dbraw/zinc/39/87/57/273398757.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285464859 274552475 /nfs/dbraw/zinc/55/24/75/274552475.db2.gz AKVRXMLWIMFBBG-CQSZACIVSA-N 1 3 346.475 1.694 20 0 EDADHO CC(C)[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548784 276012510 /nfs/dbraw/zinc/01/25/10/276012510.db2.gz CNKWALJTCBDABX-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000344551501 276333340 /nfs/dbraw/zinc/33/33/40/276333340.db2.gz RNJRCWLGJQYGMK-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968033 276371018 /nfs/dbraw/zinc/37/10/18/276371018.db2.gz AZUMWVUQYYOLBW-CQSZACIVSA-N 1 3 349.504 1.884 20 0 EDADHO CC(=O)NCC[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000347666054 277034264 /nfs/dbraw/zinc/03/42/64/277034264.db2.gz GGNXHHUTLVMJGI-LJQANCHMSA-N 1 3 338.540 1.641 20 0 EDADHO CC(=O)NCC[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000347666054 277034265 /nfs/dbraw/zinc/03/42/65/277034265.db2.gz GGNXHHUTLVMJGI-LJQANCHMSA-N 1 3 338.540 1.641 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293116 277071352 /nfs/dbraw/zinc/07/13/52/277071352.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293116 277071353 /nfs/dbraw/zinc/07/13/53/277071353.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 1 3 335.492 1.574 20 0 EDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)[C@@H]1C ZINC000358653117 277325698 /nfs/dbraw/zinc/32/56/98/277325698.db2.gz GIXJNRVXGOLARV-IXDOHACOSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035476 /nfs/dbraw/zinc/03/54/76/278035476.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 1 3 349.519 1.819 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035477 /nfs/dbraw/zinc/03/54/77/278035477.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 1 3 349.519 1.819 20 0 EDADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000422837282 278357559 /nfs/dbraw/zinc/35/75/59/278357559.db2.gz LTZOJKVHKCCRFZ-IAGOWNOFSA-N 1 3 338.540 1.863 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NCCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000417312497 278856387 /nfs/dbraw/zinc/85/63/87/278856387.db2.gz NWTHKUSGUQMLFC-SFHVURJKSA-N 1 3 347.507 1.192 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457811759 279127298 /nfs/dbraw/zinc/12/72/98/279127298.db2.gz OBFUFPANSHNNDU-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC(=O)N1CCOCC1 ZINC000360967609 279133995 /nfs/dbraw/zinc/13/39/95/279133995.db2.gz BJAPKUNIIWAKFL-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000361790683 279396841 /nfs/dbraw/zinc/39/68/41/279396841.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)C[C@H]1C ZINC000361790683 279396843 /nfs/dbraw/zinc/39/68/43/279396843.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418105814 280165131 /nfs/dbraw/zinc/16/51/31/280165131.db2.gz LZYAVYYSVXUUAW-PNESKVBLSA-N 1 3 336.402 1.828 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCN(C)CC1 ZINC000340962981 280248191 /nfs/dbraw/zinc/24/81/91/280248191.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCN(C)CC1 ZINC000340962981 280248194 /nfs/dbraw/zinc/24/81/94/280248194.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 1 3 339.528 1.040 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000289838372 288788586 /nfs/dbraw/zinc/78/85/86/288788586.db2.gz AVHMEJKTMIPCKK-OLZOCXBDSA-N 1 3 339.461 1.282 20 0 EDADHO c1cnn([C@H]2CCN(CCOCC[N@@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024878 289242150 /nfs/dbraw/zinc/24/21/50/289242150.db2.gz YOGCRYUMWPEHBR-ROUUACIJSA-N 1 3 344.463 1.290 20 0 EDADHO c1cnn([C@H]2CCN(CCOCC[N@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024878 289242153 /nfs/dbraw/zinc/24/21/53/289242153.db2.gz YOGCRYUMWPEHBR-ROUUACIJSA-N 1 3 344.463 1.290 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293274223 289567965 /nfs/dbraw/zinc/56/79/65/289567965.db2.gz UOKRWZPVORDBOX-OAHLLOKOSA-N 1 3 348.491 1.781 20 0 EDADHO CN1CCN(C[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979816 290046366 /nfs/dbraw/zinc/04/63/66/290046366.db2.gz ZDSISXZVFVUWEN-QGZVFWFLSA-N 1 3 334.508 1.101 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000419966315 304718405 /nfs/dbraw/zinc/71/84/05/304718405.db2.gz YHIQPRUESWCBDP-INIZCTEOSA-N 1 3 340.512 1.056 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000420475233 304763292 /nfs/dbraw/zinc/76/32/92/304763292.db2.gz MDPYKCCGXDGZKM-INIZCTEOSA-N 1 3 345.468 1.827 20 0 EDADHO COCc1nc2n(n1)C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CC2 ZINC000294160123 303071128 /nfs/dbraw/zinc/07/11/28/303071128.db2.gz IGAMNZOINIRYDK-HNNXBMFYSA-N 1 3 342.447 1.393 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042284 303166221 /nfs/dbraw/zinc/16/62/21/303166221.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042284 303166223 /nfs/dbraw/zinc/16/62/23/303166223.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042284 303166225 /nfs/dbraw/zinc/16/62/25/303166225.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 1 3 331.504 1.724 20 0 EDADHO COc1cccc(OCCN2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000297134821 303363783 /nfs/dbraw/zinc/36/37/83/303363783.db2.gz YUSOQUJMKKYNLV-UHFFFAOYSA-N 1 3 333.476 1.691 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000414892146 447346060 /nfs/dbraw/zinc/34/60/60/447346060.db2.gz WOCODWBFMGXMRU-CYBMUJFWSA-N 1 3 330.379 1.731 20 0 EDADHO CN(CCN[C@@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102537 304886205 /nfs/dbraw/zinc/88/62/05/304886205.db2.gz WYSXVKYNCDDJPJ-XJKSGUPXSA-N 1 3 343.468 1.553 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113427 304886972 /nfs/dbraw/zinc/88/69/72/304886972.db2.gz YWLHLYWJQCYKLM-RWMBFGLXSA-N 1 3 331.507 1.474 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277156 304890930 /nfs/dbraw/zinc/89/09/30/304890930.db2.gz NSMLZEDOWQXFLY-IAOVAPTHSA-N 1 3 337.489 1.819 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423298383 304891642 /nfs/dbraw/zinc/89/16/42/304891642.db2.gz OFXZSKUEVJEFHB-KBPBESRZSA-N 1 3 327.494 1.963 20 0 EDADHO N[C@H]1Cc2ccccc2N(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000424074679 304927784 /nfs/dbraw/zinc/92/77/84/304927784.db2.gz KIKAKEHUDIJZMK-LSDHHAIUSA-N 1 3 325.416 1.338 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430624889 305059724 /nfs/dbraw/zinc/05/97/24/305059724.db2.gz JMRWSIWLJKAEBU-HNNXBMFYSA-N 1 3 329.444 1.994 20 0 EDADHO C[NH2+][C@H]1CCN([C@H](C)C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000430627085 305060096 /nfs/dbraw/zinc/06/00/96/305060096.db2.gz SLWMIHOTGCMIQK-APWZRJJASA-N 1 3 344.503 1.449 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000430772435 305064561 /nfs/dbraw/zinc/06/45/61/305064561.db2.gz BBRVKZVZXAEWOG-ZWKOTPCHSA-N 1 3 333.476 1.688 20 0 EDADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431039982 305073461 /nfs/dbraw/zinc/07/34/61/305073461.db2.gz UHKKNTUHVRQNTJ-ZDUSSCGKSA-N 1 3 348.422 1.938 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000431048380 305073610 /nfs/dbraw/zinc/07/36/10/305073610.db2.gz JULHEIWOSXNGCY-FGTMMUONSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000431048380 305073611 /nfs/dbraw/zinc/07/36/11/305073611.db2.gz JULHEIWOSXNGCY-FGTMMUONSA-N 1 3 337.508 1.868 20 0 EDADHO CCCN(CCC(=O)NC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000431077862 305074340 /nfs/dbraw/zinc/07/43/40/305074340.db2.gz DFSFAJBWHBLOOV-UHFFFAOYSA-N 1 3 346.475 1.867 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939214 305115112 /nfs/dbraw/zinc/11/51/12/305115112.db2.gz FMIGEKCLKNSOSA-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939214 305115113 /nfs/dbraw/zinc/11/51/13/305115113.db2.gz FMIGEKCLKNSOSA-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CCOc1ccc(OCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064755 305151957 /nfs/dbraw/zinc/15/19/57/305151957.db2.gz NGWVPRNVHAWRSV-MRXNPFEDSA-N 1 3 349.475 1.784 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)N(CC)CC ZINC000437957727 305179531 /nfs/dbraw/zinc/17/95/31/305179531.db2.gz SLIMTBSKXSDBIE-QBPKDAKJSA-N 1 3 325.497 1.817 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854430 305190230 /nfs/dbraw/zinc/19/02/30/305190230.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854430 305190231 /nfs/dbraw/zinc/19/02/31/305190231.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO Cc1cccc(OCCCNC(=O)CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063827 305234442 /nfs/dbraw/zinc/23/44/42/305234442.db2.gz XGUNZRQVXXRRTE-QGZVFWFLSA-N 1 3 333.476 1.941 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000446378953 305264160 /nfs/dbraw/zinc/26/41/60/305264160.db2.gz XZXOZWZLCGMXNQ-LJCCNALRSA-N 1 3 349.519 1.996 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302748 305277483 /nfs/dbraw/zinc/27/74/83/305277483.db2.gz FYNUIGHQLIUSEY-BVIKNXMNSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302748 305277484 /nfs/dbraw/zinc/27/74/84/305277484.db2.gz FYNUIGHQLIUSEY-BVIKNXMNSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000447302748 305277485 /nfs/dbraw/zinc/27/74/85/305277485.db2.gz FYNUIGHQLIUSEY-BVIKNXMNSA-N 1 3 328.497 1.641 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000447506144 305280904 /nfs/dbraw/zinc/28/09/04/305280904.db2.gz BQEWZQFNXRUURG-WBVHZDCISA-N 1 3 330.476 1.699 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342508 305312189 /nfs/dbraw/zinc/31/21/89/305312189.db2.gz BYHARWVPQIEQHP-PKOBYXMFSA-N 1 3 331.460 1.145 20 0 EDADHO CC[C@H]1CN(CC)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451735932 305365813 /nfs/dbraw/zinc/36/58/13/305365813.db2.gz FEYYSFGWMFPHEE-OALUTQOASA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000471634386 305537448 /nfs/dbraw/zinc/53/74/48/305537448.db2.gz JTWZIYANQYGLSL-NVXWUHKLSA-N 1 3 328.501 1.374 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N2CCN[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000516166011 305734284 /nfs/dbraw/zinc/73/42/84/305734284.db2.gz OPKMTCNNYSBFSN-MAUKXSAKSA-N 1 3 346.475 1.835 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930429 447362697 /nfs/dbraw/zinc/36/26/97/447362697.db2.gz AVHZXSDJJGGMMX-XEZPLFJOSA-N 1 3 333.432 1.778 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@@H]2C)c1 ZINC000414930429 447362703 /nfs/dbraw/zinc/36/27/03/447362703.db2.gz AVHZXSDJJGGMMX-XEZPLFJOSA-N 1 3 333.432 1.778 20 0 EDADHO CN(CCC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccncc1 ZINC000541857636 306048261 /nfs/dbraw/zinc/04/82/61/306048261.db2.gz VRHDWFCPEFDSBG-UHFFFAOYSA-N 1 3 334.464 1.477 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000543713871 306067673 /nfs/dbraw/zinc/06/76/73/306067673.db2.gz LMSKQPCXCGMGMN-WMZOPIPTSA-N 1 3 331.460 1.900 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000543713871 306067674 /nfs/dbraw/zinc/06/76/74/306067674.db2.gz LMSKQPCXCGMGMN-WMZOPIPTSA-N 1 3 331.460 1.900 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000553981926 306188460 /nfs/dbraw/zinc/18/84/60/306188460.db2.gz VPDLHZFSEPQVPG-IBGZPJMESA-N 1 3 346.519 1.870 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000414947695 447369300 /nfs/dbraw/zinc/36/93/00/447369300.db2.gz LBXJBFDPDNPHFD-NVXWUHKLSA-N 1 3 344.459 1.260 20 0 EDADHO COC[C@]1(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CCCN1 ZINC000414949813 447370338 /nfs/dbraw/zinc/37/03/38/447370338.db2.gz DHYDKMGYQWRBRE-AUUYWEPGSA-N 1 3 345.443 1.419 20 0 EDADHO COC[C@]1(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CCCN1 ZINC000414949815 447370894 /nfs/dbraw/zinc/37/08/94/447370894.db2.gz DHYDKMGYQWRBRE-IFXJQAMLSA-N 1 3 345.443 1.419 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660835308 453597303 /nfs/dbraw/zinc/59/73/03/453597303.db2.gz UITWFXYISQSRPH-MRXNPFEDSA-N 1 3 331.451 1.903 20 0 EDADHO COCC1(CNCc2c(Br)cnn2C)CC[NH2+]CC1 ZINC000414976293 447382006 /nfs/dbraw/zinc/38/20/06/447382006.db2.gz PFXHDKHPXUJWEH-UHFFFAOYSA-N 1 3 331.258 1.288 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000422258822 447427701 /nfs/dbraw/zinc/42/77/01/447427701.db2.gz KOMBRIZNASFYSQ-GPANFISMSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1OCCN(C)C)[N@H+](C)C1CC1 ZINC000105205382 441241644 /nfs/dbraw/zinc/24/16/44/441241644.db2.gz WMCWRCRFLLYTAF-HNNXBMFYSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1OCCN(C)C)[N@@H+](C)C1CC1 ZINC000105205382 441241648 /nfs/dbraw/zinc/24/16/48/441241648.db2.gz WMCWRCRFLLYTAF-HNNXBMFYSA-N 1 3 348.491 1.909 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000073643595 441337553 /nfs/dbraw/zinc/33/75/53/441337553.db2.gz OBKDHWQPVBRGEX-SFHVURJKSA-N 1 3 346.519 1.964 20 0 EDADHO CN1CCN(CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063667034 441342075 /nfs/dbraw/zinc/34/20/75/441342075.db2.gz VAMDHOBNPDEJAN-UHFFFAOYSA-N 1 3 344.503 1.650 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425802 441439590 /nfs/dbraw/zinc/43/95/90/441439590.db2.gz QHOSLFOXAAILBF-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000075346585 441518778 /nfs/dbraw/zinc/51/87/78/441518778.db2.gz ADMJSQIOBMDKPF-SFHVURJKSA-N 1 3 347.507 1.925 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113645957 441621517 /nfs/dbraw/zinc/62/15/17/441621517.db2.gz HULKOUSUDVPURK-HNNXBMFYSA-N 1 3 332.448 1.097 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCC[C@@H]1C ZINC000076309903 441627615 /nfs/dbraw/zinc/62/76/15/441627615.db2.gz YOQADPUGFPQREU-DOTOQJQBSA-N 1 3 325.497 1.770 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188578 441900540 /nfs/dbraw/zinc/90/05/40/441900540.db2.gz DJOCBPLOAOVPIZ-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188578 441900548 /nfs/dbraw/zinc/90/05/48/441900548.db2.gz DJOCBPLOAOVPIZ-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174172125 441898269 /nfs/dbraw/zinc/89/82/69/441898269.db2.gz DDQJEYJZNFKIQU-INIZCTEOSA-N 1 3 326.485 1.082 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)COC1 ZINC000174884411 441977947 /nfs/dbraw/zinc/97/79/47/441977947.db2.gz GRVFBVKBWMIQIS-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)COC1 ZINC000174884411 441977951 /nfs/dbraw/zinc/97/79/51/441977951.db2.gz GRVFBVKBWMIQIS-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N1CCN(C)CC1 ZINC000174603928 441942886 /nfs/dbraw/zinc/94/28/86/441942886.db2.gz IBTVIJSANOGADQ-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249669 442219730 /nfs/dbraw/zinc/21/97/30/442219730.db2.gz SXVXPLKQKTUHPL-MSOLQXFVSA-N 1 3 333.476 1.812 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253959 442219747 /nfs/dbraw/zinc/21/97/47/442219747.db2.gz SNLDPKKKMFFYLP-ZWKOTPCHSA-N 1 3 333.476 1.954 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000152552178 442224749 /nfs/dbraw/zinc/22/47/49/442224749.db2.gz VHPIBVNDZAGINP-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CNC(=O)NC(=O)CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178391243 442429739 /nfs/dbraw/zinc/42/97/39/442429739.db2.gz YQVFXLQRAXVGHV-HNNXBMFYSA-N 1 3 338.496 1.809 20 0 EDADHO CNC(=O)NC(=O)CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178391243 442429741 /nfs/dbraw/zinc/42/97/41/442429741.db2.gz YQVFXLQRAXVGHV-HNNXBMFYSA-N 1 3 338.496 1.809 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872982 442510321 /nfs/dbraw/zinc/51/03/21/442510321.db2.gz KGFLHRLIESWEBV-SFHVURJKSA-N 1 3 330.476 1.050 20 0 EDADHO COc1cccc(CC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178966972 442541152 /nfs/dbraw/zinc/54/11/52/442541152.db2.gz CYIZHAOXXHURIF-UHFFFAOYSA-N 1 3 331.460 1.382 20 0 EDADHO CCCC[N@H+](C)CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000180123290 442545593 /nfs/dbraw/zinc/54/55/93/442545593.db2.gz BTNUTTBSNRJBHT-UHFFFAOYSA-N 1 3 336.480 1.028 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000180123290 442545594 /nfs/dbraw/zinc/54/55/94/442545594.db2.gz BTNUTTBSNRJBHT-UHFFFAOYSA-N 1 3 336.480 1.028 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000179853941 442511988 /nfs/dbraw/zinc/51/19/88/442511988.db2.gz DFMXFLUSADOOCX-YJBOKZPZSA-N 1 3 333.476 1.108 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723979 442600983 /nfs/dbraw/zinc/60/09/83/442600983.db2.gz DPHNXADYWUUESM-QFBILLFUSA-N 1 3 337.508 1.853 20 0 EDADHO CCC[NH+]1CCC(NC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000136147725 442653018 /nfs/dbraw/zinc/65/30/18/442653018.db2.gz JUQZXIWYUPOIJC-UHFFFAOYSA-N 1 3 334.464 1.626 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187947554 442699559 /nfs/dbraw/zinc/69/95/59/442699559.db2.gz NPLPENNCHPNJCF-LEUOFYLZSA-N 1 3 331.460 1.533 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246478329 442784897 /nfs/dbraw/zinc/78/48/97/442784897.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246478329 442784902 /nfs/dbraw/zinc/78/49/02/442784902.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 1 3 338.492 1.492 20 0 EDADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890642 442934926 /nfs/dbraw/zinc/93/49/26/442934926.db2.gz FRRFGAYDZCXXHU-LPHOPBHVSA-N 1 3 345.487 1.601 20 0 EDADHO [NH3+]CC1(CC(=O)N2CCN(CC3CCOCC3)CC2)CCCCC1 ZINC000184238198 443004493 /nfs/dbraw/zinc/00/44/93/443004493.db2.gz FIXSNYMMBRAOJD-UHFFFAOYSA-N 1 3 337.508 1.857 20 0 EDADHO C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268751613 443097270 /nfs/dbraw/zinc/09/72/70/443097270.db2.gz JXGUOJQREXBDAY-LSDHHAIUSA-N 1 3 340.489 1.712 20 0 EDADHO OCc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266245475 443072263 /nfs/dbraw/zinc/07/22/63/443072263.db2.gz YLKCRRYIWKZCKZ-UHFFFAOYSA-N 1 3 330.432 1.469 20 0 EDADHO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(OCCN(C)C)c1 ZINC000268769180 443103134 /nfs/dbraw/zinc/10/31/34/443103134.db2.gz RUWMNUKAOZVMPZ-AWEZNQCLSA-N 1 3 343.493 1.217 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793081 443109896 /nfs/dbraw/zinc/10/98/96/443109896.db2.gz CLUMAJTVYXMWSQ-PKOBYXMFSA-N 1 3 345.487 1.878 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793081 443109900 /nfs/dbraw/zinc/10/99/00/443109900.db2.gz CLUMAJTVYXMWSQ-PKOBYXMFSA-N 1 3 345.487 1.878 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@H](C)C1 ZINC000268800759 443113129 /nfs/dbraw/zinc/11/31/29/443113129.db2.gz KBZQUMRCYWKFDB-APWZRJJASA-N 1 3 345.487 1.979 20 0 EDADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000237879721 443185778 /nfs/dbraw/zinc/18/57/78/443185778.db2.gz YTQRTLVRNOTFQZ-INIZCTEOSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000190837564 443192184 /nfs/dbraw/zinc/19/21/84/443192184.db2.gz KLVRGKNILPJARU-APWZRJJASA-N 1 3 345.487 1.459 20 0 EDADHO C[C@@H](NC[C@@H](O)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268935478 443151525 /nfs/dbraw/zinc/15/15/25/443151525.db2.gz YNUMMVDTCIKGMG-RDTXWAMCSA-N 1 3 332.448 1.745 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000269232507 443242510 /nfs/dbraw/zinc/24/25/10/443242510.db2.gz ARJAFQKSMNEPRU-HKUYNNGSSA-N 1 3 344.503 1.703 20 0 EDADHO CC(C)C[C@]1(CO)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411616589 319188828 /nfs/dbraw/zinc/18/88/28/319188828.db2.gz FMABNRABOAQBJK-IBGZPJMESA-N 1 3 339.524 1.848 20 0 EDADHO COc1ccccc1C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414670683 319338834 /nfs/dbraw/zinc/33/88/34/319338834.db2.gz DREUVRJBPGLWTP-HNNXBMFYSA-N 1 3 331.460 1.857 20 0 EDADHO COc1ccccc1C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414670683 319338836 /nfs/dbraw/zinc/33/88/36/319338836.db2.gz DREUVRJBPGLWTP-HNNXBMFYSA-N 1 3 331.460 1.857 20 0 EDADHO Cc1cccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1C ZINC000414677658 319340350 /nfs/dbraw/zinc/34/03/50/319340350.db2.gz WYCKDCYQRRAUCA-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690317 319342564 /nfs/dbraw/zinc/34/25/64/319342564.db2.gz NEDLWZBHLUDWLX-UONOGXRCSA-N 1 3 327.423 1.784 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415853000 319378151 /nfs/dbraw/zinc/37/81/51/319378151.db2.gz SFCLDTWJJICXTP-CZUORRHYSA-N 1 3 346.475 1.438 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000416824753 319463672 /nfs/dbraw/zinc/46/36/72/319463672.db2.gz PNDCWKLVJFRBKK-MRXNPFEDSA-N 1 3 334.464 1.869 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903639 319470275 /nfs/dbraw/zinc/47/02/75/319470275.db2.gz CNJJWOPDFBOCJM-YJBOKZPZSA-N 1 3 348.491 1.987 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000416919494 319474567 /nfs/dbraw/zinc/47/45/67/319474567.db2.gz KFWOLANWMQNDDE-WMLDXEAASA-N 1 3 336.480 1.972 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000417104615 319485963 /nfs/dbraw/zinc/48/59/63/319485963.db2.gz FLLRJJUYZZIMNW-INIZCTEOSA-N 1 3 340.537 1.728 20 0 EDADHO CC(C)(CC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000422586380 319719170 /nfs/dbraw/zinc/71/91/70/319719170.db2.gz BPKAEHAZIMQTJG-UHFFFAOYSA-N 1 3 328.526 1.775 20 0 EDADHO CC(C)COC[C@H](O)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973896 319743529 /nfs/dbraw/zinc/74/35/29/319743529.db2.gz PVIKPJKYNAIFBS-SZVBFZGTSA-N 1 3 334.460 1.865 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000273078790 443532820 /nfs/dbraw/zinc/53/28/20/443532820.db2.gz XGNSJWIQAGZMTG-MRXNPFEDSA-N 1 3 330.476 1.556 20 0 EDADHO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272376600 443606520 /nfs/dbraw/zinc/60/65/20/443606520.db2.gz BJGXVFPGQYAJLM-MJGOQNOKSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H](NCCC(=O)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376600 443606524 /nfs/dbraw/zinc/60/65/24/443606524.db2.gz BJGXVFPGQYAJLM-MJGOQNOKSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H](NCCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376600 443606529 /nfs/dbraw/zinc/60/65/29/443606529.db2.gz BJGXVFPGQYAJLM-MJGOQNOKSA-N 1 3 345.487 1.736 20 0 EDADHO CN(CC1(C[N@H+](C)[C@H]2CC[C@H](O)CC2)COC1)[C@H]1CC[C@H](O)CC1 ZINC000439268539 320043625 /nfs/dbraw/zinc/04/36/25/320043625.db2.gz FSDUFICCKLKYRW-OPMHRUBESA-N 1 3 340.508 1.474 20 0 EDADHO CN(CC1(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)COC1)[C@H]1CC[C@H](O)CC1 ZINC000439268539 320043628 /nfs/dbraw/zinc/04/36/28/320043628.db2.gz FSDUFICCKLKYRW-OPMHRUBESA-N 1 3 340.508 1.474 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000449728883 320202355 /nfs/dbraw/zinc/20/23/55/320202355.db2.gz XSJFLRVIFIOZSO-ZWKOTPCHSA-N 1 3 344.503 1.832 20 0 EDADHO CSC1(CNC(=O)NCCCC[N@H+](C)C2CC2)CCN(C)CC1 ZINC000454975806 320298160 /nfs/dbraw/zinc/29/81/60/320298160.db2.gz QJUURWZKGQHZHV-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO CSC1(CNC(=O)NCCCC[N@@H+](C)C2CC2)CCN(C)CC1 ZINC000454975806 320298161 /nfs/dbraw/zinc/29/81/61/320298161.db2.gz QJUURWZKGQHZHV-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471647476 320353127 /nfs/dbraw/zinc/35/31/27/320353127.db2.gz HDIQPNNPVONDQR-XHSDSOJGSA-N 1 3 328.501 1.230 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471647476 320353128 /nfs/dbraw/zinc/35/31/28/320353128.db2.gz HDIQPNNPVONDQR-XHSDSOJGSA-N 1 3 328.501 1.230 20 0 EDADHO CCN1CCN(CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276553943 443744397 /nfs/dbraw/zinc/74/43/97/443744397.db2.gz FNNRBFSUVNHOGA-UHFFFAOYSA-N 1 3 344.503 1.132 20 0 EDADHO CC[NH+]1CCC(NC(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000298649293 443829018 /nfs/dbraw/zinc/82/90/18/443829018.db2.gz LMQCOSHRBQDYEX-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000277103890 443913114 /nfs/dbraw/zinc/91/31/14/443913114.db2.gz UGHAKOADSFHCKS-ZIAGYGMSSA-N 1 3 337.439 1.768 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288798819 443986305 /nfs/dbraw/zinc/98/63/05/443986305.db2.gz IMCCCEYSJVHRDQ-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038563 321165453 /nfs/dbraw/zinc/16/54/53/321165453.db2.gz HBSOEEDBNMHJDC-SFHVURJKSA-N 1 3 336.524 1.251 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000565411341 321185456 /nfs/dbraw/zinc/18/54/56/321185456.db2.gz QDDHQBSINTUTEC-PFRQMTDMSA-N 1 3 345.487 1.898 20 0 EDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041215 321239830 /nfs/dbraw/zinc/23/98/30/321239830.db2.gz ANXWNSLBEBWDIS-NVXWUHKLSA-N 1 3 338.540 1.591 20 0 EDADHO CN1CCN(CCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000567983113 321271290 /nfs/dbraw/zinc/27/12/90/321271290.db2.gz OXYSGDRYXDWELX-GOSISDBHSA-N 1 3 338.540 1.818 20 0 EDADHO Cc1cccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000568502261 321294929 /nfs/dbraw/zinc/29/49/29/321294929.db2.gz KRHYIDDPAWBDSL-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1cccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000568502261 321294930 /nfs/dbraw/zinc/29/49/30/321294930.db2.gz KRHYIDDPAWBDSL-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000289822614 444208186 /nfs/dbraw/zinc/20/81/86/444208186.db2.gz CYGXJKCRUSEXDY-RTBURBONSA-N 1 3 344.503 1.935 20 0 EDADHO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCN2CCC1CC2 ZINC000577861543 321688961 /nfs/dbraw/zinc/68/89/61/321688961.db2.gz FAUNDWIIPOSSGR-DLBZAZTESA-N 1 3 333.863 1.950 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562020 444301317 /nfs/dbraw/zinc/30/13/17/444301317.db2.gz RYUHGCAFUOBDQP-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562020 444301319 /nfs/dbraw/zinc/30/13/19/444301319.db2.gz RYUHGCAFUOBDQP-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255530 444373912 /nfs/dbraw/zinc/37/39/12/444373912.db2.gz HCPNCSDACMERSX-SUYBPPKGSA-N 1 3 337.489 1.784 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255530 444373914 /nfs/dbraw/zinc/37/39/14/444373914.db2.gz HCPNCSDACMERSX-SUYBPPKGSA-N 1 3 337.489 1.784 20 0 EDADHO CC(C)(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)N1CC[NH2+]CC1 ZINC000327224089 444381056 /nfs/dbraw/zinc/38/10/56/444381056.db2.gz QMRCQLPJQICFSL-SFHVURJKSA-N 1 3 344.503 1.624 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065387 322004072 /nfs/dbraw/zinc/00/40/72/322004072.db2.gz USHVKSWAQVJXJG-SOLBZPMBSA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065387 322004074 /nfs/dbraw/zinc/00/40/74/322004074.db2.gz USHVKSWAQVJXJG-SOLBZPMBSA-N 1 3 327.513 1.167 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000581597164 322196620 /nfs/dbraw/zinc/19/66/20/322196620.db2.gz KPSQMZRPCOHEGD-SJORKVTESA-N 1 3 332.448 1.020 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000581606037 322198502 /nfs/dbraw/zinc/19/85/02/322198502.db2.gz NZNNVTNTYQRMKG-DKSSEZFCSA-N 1 3 328.460 1.723 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1[NH+](C)C ZINC000340799993 444515504 /nfs/dbraw/zinc/51/55/04/444515504.db2.gz LVKOAGQVWRKHMJ-CJNGLKHVSA-N 1 3 332.448 1.095 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1CCOCC1 ZINC000343703985 444531186 /nfs/dbraw/zinc/53/11/86/444531186.db2.gz DFXVTZDKROQXNV-INIZCTEOSA-N 1 3 341.496 1.057 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1CCOCC1 ZINC000343703985 444531191 /nfs/dbraw/zinc/53/11/91/444531191.db2.gz DFXVTZDKROQXNV-INIZCTEOSA-N 1 3 341.496 1.057 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)CC(C)C ZINC000343765170 444574234 /nfs/dbraw/zinc/57/42/34/444574234.db2.gz BINGJSLHHYNDEV-HMQMGEFJSA-N 1 3 337.508 1.674 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338280672 444608074 /nfs/dbraw/zinc/60/80/74/444608074.db2.gz LKMUAEYPAOVGOG-QGZVFWFLSA-N 1 3 341.496 1.310 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000342460536 444700557 /nfs/dbraw/zinc/70/05/57/444700557.db2.gz HGZZTRXBRGUAJS-ZBFHGGJFSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@H+]1C ZINC000342460536 444700559 /nfs/dbraw/zinc/70/05/59/444700559.db2.gz HGZZTRXBRGUAJS-ZBFHGGJFSA-N 1 3 349.479 1.304 20 0 EDADHO Cn1nccc1CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000338547805 444743764 /nfs/dbraw/zinc/74/37/64/444743764.db2.gz DPDUQZRBMRRQDS-UHFFFAOYSA-N 1 3 349.523 1.379 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000342587570 444759225 /nfs/dbraw/zinc/75/92/25/444759225.db2.gz QNBMYBVLYOKEQT-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH+](C)CCOCCNCc1cccc(I)c1 ZINC000336699104 444794399 /nfs/dbraw/zinc/79/43/99/444794399.db2.gz KBDJAGATFVNZSN-UHFFFAOYSA-N 1 3 348.228 1.959 20 0 EDADHO CC(C)N1CCc2nc(CNCC3(O)CC[NH+](C)CC3)sc2C1 ZINC000344214184 444843733 /nfs/dbraw/zinc/84/37/33/444843733.db2.gz REABEHYNVMTZCI-UHFFFAOYSA-N 1 3 338.521 1.456 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000342772856 444860058 /nfs/dbraw/zinc/86/00/58/444860058.db2.gz BDEVCZKHBHXBJE-NJAFHUGGSA-N 1 3 335.492 1.715 20 0 EDADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343096505 445062470 /nfs/dbraw/zinc/06/24/70/445062470.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 1 3 342.487 1.157 20 0 EDADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343096505 445062475 /nfs/dbraw/zinc/06/24/75/445062475.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 1 3 342.487 1.157 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000339577326 445151325 /nfs/dbraw/zinc/15/13/25/445151325.db2.gz XKQIDSHLSQIFQN-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207402 /nfs/dbraw/zinc/20/74/02/445207402.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 1 3 349.519 1.819 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207404 /nfs/dbraw/zinc/20/74/04/445207404.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 1 3 349.519 1.819 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000343490558 445233024 /nfs/dbraw/zinc/23/30/24/445233024.db2.gz AQHYFJVVJVZJGK-RDJZCZTQSA-N 1 3 333.480 1.194 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343567966 445245637 /nfs/dbraw/zinc/24/56/37/445245637.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 1 3 336.524 1.393 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343567966 445245639 /nfs/dbraw/zinc/24/56/39/445245639.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 1 3 336.524 1.393 20 0 EDADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640215 445276385 /nfs/dbraw/zinc/27/63/85/445276385.db2.gz LWPQPPSELSTQLA-RTBURBONSA-N 1 3 342.487 1.157 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@@H](C)O1 ZINC000362557912 445439021 /nfs/dbraw/zinc/43/90/21/445439021.db2.gz DWCMYJITMXKHLK-RBSFLKMASA-N 1 3 349.479 1.106 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000359914588 445485794 /nfs/dbraw/zinc/48/57/94/445485794.db2.gz UWSNKRNDAHCWMS-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCCCC1 ZINC000359914588 445485796 /nfs/dbraw/zinc/48/57/96/445485796.db2.gz UWSNKRNDAHCWMS-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939914 445497813 /nfs/dbraw/zinc/49/78/13/445497813.db2.gz DTQZCKVBASMMOG-APWZRJJASA-N 1 3 344.503 1.504 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939914 445497816 /nfs/dbraw/zinc/49/78/16/445497816.db2.gz DTQZCKVBASMMOG-APWZRJJASA-N 1 3 344.503 1.504 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939914 445497820 /nfs/dbraw/zinc/49/78/20/445497820.db2.gz DTQZCKVBASMMOG-APWZRJJASA-N 1 3 344.503 1.504 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802707 445556377 /nfs/dbraw/zinc/55/63/77/445556377.db2.gz VEMCCYRFPPTKFZ-GOEBONIOSA-N 1 3 331.464 1.554 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000356040469 445585533 /nfs/dbraw/zinc/58/55/33/445585533.db2.gz SRLLVHYXRHCUIR-VQIMIIECSA-N 1 3 348.491 1.263 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000360170462 445610184 /nfs/dbraw/zinc/61/01/84/445610184.db2.gz JFRQTYLEQILBOS-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000360170462 445610187 /nfs/dbraw/zinc/61/01/87/445610187.db2.gz JFRQTYLEQILBOS-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356088796 445613195 /nfs/dbraw/zinc/61/31/95/445613195.db2.gz JSABABSQEUPUAQ-RDJZCZTQSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356088796 445613198 /nfs/dbraw/zinc/61/31/98/445613198.db2.gz JSABABSQEUPUAQ-RDJZCZTQSA-N 1 3 340.512 1.658 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353526686 445642847 /nfs/dbraw/zinc/64/28/47/445642847.db2.gz RWKABDJHLLVHFM-BPQIPLTHSA-N 1 3 336.524 1.012 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000353424839 445595681 /nfs/dbraw/zinc/59/56/81/445595681.db2.gz GGXFSWZBSLRDRY-YYIAUSFCSA-N 1 3 325.497 1.626 20 0 EDADHO CCO[C@@H]1C[C@H](NCC(=O)NCC[NH+]2CCCCCC2)C12CCC2 ZINC000353670411 445700452 /nfs/dbraw/zinc/70/04/52/445700452.db2.gz HFNDJAGSRLWTNK-DLBZAZTESA-N 1 3 337.508 1.916 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353688282 445708159 /nfs/dbraw/zinc/70/81/59/445708159.db2.gz WDQOZUPGUKIORH-XJKSGUPXSA-N 1 3 325.403 1.868 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000349899633 445715773 /nfs/dbraw/zinc/71/57/73/445715773.db2.gz WLZBWPSBMLUEKR-BBWFWOEESA-N 1 3 325.497 1.819 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363081948 445670423 /nfs/dbraw/zinc/67/04/23/445670423.db2.gz VHLGRZDORSCPMY-IRXDYDNUSA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363081948 445670427 /nfs/dbraw/zinc/67/04/27/445670427.db2.gz VHLGRZDORSCPMY-IRXDYDNUSA-N 1 3 335.492 1.765 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180073 445787473 /nfs/dbraw/zinc/78/74/73/445787473.db2.gz CYAKIKNUTMGLSL-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cc(C)on2)C1 ZINC000350222384 445796162 /nfs/dbraw/zinc/79/61/62/445796162.db2.gz SCZNLAIVRISGCU-HNNXBMFYSA-N 1 3 338.452 1.744 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000356570016 445863962 /nfs/dbraw/zinc/86/39/62/445863962.db2.gz BAKMNZDWTUIUCJ-KRWDZBQOSA-N 1 3 326.529 1.449 20 0 EDADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1)[NH+](C)C ZINC000369164227 445964291 /nfs/dbraw/zinc/96/42/91/445964291.db2.gz OJYAQNLYFTYDNA-ZWKOTPCHSA-N 1 3 332.492 1.996 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000582945044 325963472 /nfs/dbraw/zinc/96/34/72/325963472.db2.gz PGOIJVPIKWXIRW-UHFFFAOYSA-N 1 3 343.374 1.574 20 0 EDADHO CN(CCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004550 /nfs/dbraw/zinc/00/45/50/446004550.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 1 3 330.476 1.856 20 0 EDADHO CN(CCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004555 /nfs/dbraw/zinc/00/45/55/446004555.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 1 3 330.476 1.856 20 0 EDADHO C[C@H]1CC2(CN1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866263 326154810 /nfs/dbraw/zinc/15/48/10/326154810.db2.gz KZQBFLDVCZQQBY-HNNXBMFYSA-N 1 3 337.489 1.429 20 0 EDADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000356836179 446057654 /nfs/dbraw/zinc/05/76/54/446057654.db2.gz HBWPEIJPTBZGPQ-ZWKOTPCHSA-N 1 3 332.492 1.998 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCn4nccc43)CC2)CC1 ZINC000584122482 326204551 /nfs/dbraw/zinc/20/45/51/326204551.db2.gz SMCBEVNJGDGQBB-UHFFFAOYSA-N 1 3 345.491 1.816 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584290029 326236557 /nfs/dbraw/zinc/23/65/57/326236557.db2.gz XQKWOLGQRSASMT-TVEAVKIZSA-N 1 3 335.492 1.367 20 0 EDADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654413 446139785 /nfs/dbraw/zinc/13/97/85/446139785.db2.gz LIVCSTXTOOFYHB-GOEBONIOSA-N 1 3 348.495 2.000 20 0 EDADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654413 446139794 /nfs/dbraw/zinc/13/97/94/446139794.db2.gz LIVCSTXTOOFYHB-GOEBONIOSA-N 1 3 348.495 2.000 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359370774 446179895 /nfs/dbraw/zinc/17/98/95/446179895.db2.gz AWZOEHKMXVFAFD-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390765 446183458 /nfs/dbraw/zinc/18/34/58/446183458.db2.gz KOXNBNTVQYLFKT-AEFFLSMTSA-N 1 3 347.507 1.781 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390765 446183462 /nfs/dbraw/zinc/18/34/62/446183462.db2.gz KOXNBNTVQYLFKT-AEFFLSMTSA-N 1 3 347.507 1.781 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369663079 446143712 /nfs/dbraw/zinc/14/37/12/446143712.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369663079 446143718 /nfs/dbraw/zinc/14/37/18/446143718.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000366323544 446151199 /nfs/dbraw/zinc/15/11/99/446151199.db2.gz MQEUGEDNLZBLGG-CVEARBPZSA-N 1 3 336.505 1.490 20 0 EDADHO CN(C(=O)[C@@H](N)Cc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366325346 446151671 /nfs/dbraw/zinc/15/16/71/446151671.db2.gz PKZJMRIOGKHPLG-IBGZPJMESA-N 1 3 345.487 1.658 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000366479262 446230995 /nfs/dbraw/zinc/23/09/95/446230995.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000366479262 446230999 /nfs/dbraw/zinc/23/09/99/446230999.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000365661348 446291504 /nfs/dbraw/zinc/29/15/04/446291504.db2.gz QNYHVOCWJCQGPD-HOCLYGCPSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000365661348 446291508 /nfs/dbraw/zinc/29/15/08/446291508.db2.gz QNYHVOCWJCQGPD-HOCLYGCPSA-N 1 3 328.464 1.367 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000359573696 446299506 /nfs/dbraw/zinc/29/95/06/446299506.db2.gz WOSUQTAJROSXFC-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000359573696 446299502 /nfs/dbraw/zinc/29/95/02/446299502.db2.gz WOSUQTAJROSXFC-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417819568 446374199 /nfs/dbraw/zinc/37/41/99/446374199.db2.gz XLSMHDQGPOQZLD-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccccc1 ZINC000370670539 446380409 /nfs/dbraw/zinc/38/04/09/446380409.db2.gz DLYNXHLHPIJEAI-JYBIWHBTSA-N 1 3 348.487 1.905 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](O)COc1ccccc1 ZINC000370670539 446380413 /nfs/dbraw/zinc/38/04/13/446380413.db2.gz DLYNXHLHPIJEAI-JYBIWHBTSA-N 1 3 348.487 1.905 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417935269 446391091 /nfs/dbraw/zinc/39/10/91/446391091.db2.gz GOLPQBSTMNZKBP-ZJPYXAASSA-N 1 3 328.460 1.683 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000417952143 446397477 /nfs/dbraw/zinc/39/74/77/446397477.db2.gz XULBEUUHNWUFHZ-OWSLCNJRSA-N 1 3 328.460 1.968 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000370774601 446431441 /nfs/dbraw/zinc/43/14/41/446431441.db2.gz SHGKIQBQFRIYOT-BVBHFADKSA-N 1 3 345.487 1.562 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000370774601 446431443 /nfs/dbraw/zinc/43/14/43/446431443.db2.gz SHGKIQBQFRIYOT-BVBHFADKSA-N 1 3 345.487 1.562 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110739 446440926 /nfs/dbraw/zinc/44/09/26/446440926.db2.gz FVWIIURUOLIBGE-HNNXBMFYSA-N 1 3 346.475 1.590 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789273 446443401 /nfs/dbraw/zinc/44/34/01/446443401.db2.gz WMOUUZOKFHXTHO-IRXDYDNUSA-N 1 3 333.501 1.814 20 0 EDADHO CSC1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCN(C)CC1 ZINC000418204361 446456921 /nfs/dbraw/zinc/45/69/21/446456921.db2.gz XNRULQVROSRTDB-UHFFFAOYSA-N 1 3 340.537 1.599 20 0 EDADHO C[NH2+]CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418277935 446481064 /nfs/dbraw/zinc/48/10/64/446481064.db2.gz JZOHMYMSIHDRQX-ROUUACIJSA-N 1 3 330.476 1.759 20 0 EDADHO CCc1ccc([C@H](CNC(=O)COC2CC[NH2+]CC2)N(C)C)cc1 ZINC000423298981 446477824 /nfs/dbraw/zinc/47/78/24/446477824.db2.gz BBZPNGUNHJTFLF-SFHVURJKSA-N 1 3 333.476 1.737 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCCNCc2cccnc2)C1 ZINC000418289880 446486099 /nfs/dbraw/zinc/48/60/99/446486099.db2.gz JWYJOWNPIQNJSK-INIZCTEOSA-N 1 3 333.480 1.592 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NCCCNCc2cccnc2)C1 ZINC000418289880 446486108 /nfs/dbraw/zinc/48/61/08/446486108.db2.gz JWYJOWNPIQNJSK-INIZCTEOSA-N 1 3 333.480 1.592 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423319193 446486859 /nfs/dbraw/zinc/48/68/59/446486859.db2.gz DCKRREWGDUQRSV-OWCLPIDISA-N 1 3 347.507 1.880 20 0 EDADHO CCOCc1ccc(CNC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420325192 446491682 /nfs/dbraw/zinc/49/16/82/446491682.db2.gz BEYXKDIHASQYHO-KDURUIRLSA-N 1 3 345.487 1.771 20 0 EDADHO C[C@H]1CCCCN1C(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326156 446492813 /nfs/dbraw/zinc/49/28/13/446492813.db2.gz XDSLKYPHWOBLKQ-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO C[NH2+]CCN(C)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000420338356 446507614 /nfs/dbraw/zinc/50/76/14/446507614.db2.gz OESCAYJIULLLON-INIZCTEOSA-N 1 3 332.492 1.307 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418344128 446508303 /nfs/dbraw/zinc/50/83/03/446508303.db2.gz FZHHCUNROJKJTG-HUUCEWRRSA-N 1 3 326.485 1.256 20 0 EDADHO CC(C)CN(C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C(C)C ZINC000420384925 446561544 /nfs/dbraw/zinc/56/15/44/446561544.db2.gz FMLICJWVBOLZND-SJORKVTESA-N 1 3 337.508 1.580 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492176 446564055 /nfs/dbraw/zinc/56/40/55/446564055.db2.gz PECUETOKIGNVPL-WBVHZDCISA-N 1 3 333.480 1.672 20 0 EDADHO COCC[N@H+](C)CC[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423400699 446517800 /nfs/dbraw/zinc/51/78/00/446517800.db2.gz WTKZFBOSGICWHP-ROUUACIJSA-N 1 3 333.476 1.940 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1 ZINC000423400699 446517806 /nfs/dbraw/zinc/51/78/06/446517806.db2.gz WTKZFBOSGICWHP-ROUUACIJSA-N 1 3 333.476 1.940 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H]1CCOc2ccccc21 ZINC000420347571 446523790 /nfs/dbraw/zinc/52/37/90/446523790.db2.gz YQLQGVIZAMSMED-UXLLHSPISA-N 1 3 329.444 1.558 20 0 EDADHO CCOc1ccccc1NC(=O)CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350053 446528585 /nfs/dbraw/zinc/52/85/85/446528585.db2.gz RFXUTNWEXGEWIO-INIZCTEOSA-N 1 3 346.475 1.393 20 0 EDADHO [NH3+]C1CCC(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000418401182 446530126 /nfs/dbraw/zinc/53/01/26/446530126.db2.gz NIWINDZTRZYLIJ-TVPLGVNVSA-N 1 3 346.475 1.193 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)CN ZINC000420354116 446532983 /nfs/dbraw/zinc/53/29/83/446532983.db2.gz ODRWFHPOKOJCFN-JTQLQIEISA-N 1 3 348.216 1.168 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)CN ZINC000420354116 446532989 /nfs/dbraw/zinc/53/29/89/446532989.db2.gz ODRWFHPOKOJCFN-JTQLQIEISA-N 1 3 348.216 1.168 20 0 EDADHO COc1cccc(OCCN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420357199 446538615 /nfs/dbraw/zinc/53/86/15/446538615.db2.gz HQOFMZMSLPIROR-KRWDZBQOSA-N 1 3 333.476 1.691 20 0 EDADHO CC(CCN1CCSC[C@@H]1CO)CC[N@@H+]1CCSC[C@@H]1CO ZINC000411432959 446539831 /nfs/dbraw/zinc/53/98/31/446539831.db2.gz XBLNCIXVLSKVCN-HOTGVXAUSA-N 1 3 348.578 1.222 20 0 EDADHO CC(CCN1CCSC[C@@H]1CO)CC[N@H+]1CCSC[C@@H]1CO ZINC000411432959 446539836 /nfs/dbraw/zinc/53/98/36/446539836.db2.gz XBLNCIXVLSKVCN-HOTGVXAUSA-N 1 3 348.578 1.222 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433163230 446540131 /nfs/dbraw/zinc/54/01/31/446540131.db2.gz WTHSPEPPSJVAFC-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553763 /nfs/dbraw/zinc/55/37/63/446553763.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 1 3 341.540 1.560 20 0 EDADHO O=C(CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N(C1CC1)C1CCCC1 ZINC000420392624 446568810 /nfs/dbraw/zinc/56/88/10/446568810.db2.gz WEJNZUPWESMWRE-MSOLQXFVSA-N 1 3 347.503 1.620 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433463742 446576873 /nfs/dbraw/zinc/57/68/73/446576873.db2.gz AHQWKBFNCCTFGF-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418529282 446581195 /nfs/dbraw/zinc/58/11/95/446581195.db2.gz SZKOMIGUQIYCJT-QUCCMNQESA-N 1 3 342.487 1.904 20 0 EDADHO C[C@@H]1CCN(CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000420412036 446584983 /nfs/dbraw/zinc/58/49/83/446584983.db2.gz RZFHIORUYLXNBF-GDBMZVCRSA-N 1 3 332.448 1.319 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418555438 446592058 /nfs/dbraw/zinc/59/20/58/446592058.db2.gz DTGPAVYISAACSH-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418558116 446593382 /nfs/dbraw/zinc/59/33/82/446593382.db2.gz SHDUFGGVMIMGTL-WMZOPIPTSA-N 1 3 328.460 1.916 20 0 EDADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418558116 446593387 /nfs/dbraw/zinc/59/33/87/446593387.db2.gz SHDUFGGVMIMGTL-WMZOPIPTSA-N 1 3 328.460 1.916 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418571971 446599176 /nfs/dbraw/zinc/59/91/76/446599176.db2.gz KCHMZUXLEGQNKE-QAPCUYQASA-N 1 3 348.491 1.766 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000423748228 446677831 /nfs/dbraw/zinc/67/78/31/446677831.db2.gz QJVZXEQPGCWRSN-ZUBZBLCWSA-N 1 3 325.497 1.756 20 0 EDADHO CCOC(=O)CCCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371261263 446721572 /nfs/dbraw/zinc/72/15/72/446721572.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371261263 446721576 /nfs/dbraw/zinc/72/15/76/446721576.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCC[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371261263 446721581 /nfs/dbraw/zinc/72/15/81/446721581.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCOC(=O)CCCC[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000371261263 446721586 /nfs/dbraw/zinc/72/15/86/446721586.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO COCCNCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423847927 446730201 /nfs/dbraw/zinc/73/02/01/446730201.db2.gz MUXIMGZOYOTZRW-UHFFFAOYSA-N 1 3 345.487 1.737 20 0 EDADHO COCCNCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423847927 446730206 /nfs/dbraw/zinc/73/02/06/446730206.db2.gz MUXIMGZOYOTZRW-UHFFFAOYSA-N 1 3 345.487 1.737 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)C2C[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000368168639 446682316 /nfs/dbraw/zinc/68/23/16/446682316.db2.gz SKHKEFMEKFSIHE-MRXNPFEDSA-N 1 3 330.432 1.011 20 0 EDADHO COCCNCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894613 446748301 /nfs/dbraw/zinc/74/83/01/446748301.db2.gz DZAFLQVEJARILV-WMZOPIPTSA-N 1 3 333.476 1.639 20 0 EDADHO COCCNCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894613 446748306 /nfs/dbraw/zinc/74/83/06/446748306.db2.gz DZAFLQVEJARILV-WMZOPIPTSA-N 1 3 333.476 1.639 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000418862789 446759270 /nfs/dbraw/zinc/75/92/70/446759270.db2.gz OPFTVYVEOOQJOG-GDBMZVCRSA-N 1 3 334.464 1.039 20 0 EDADHO COC1([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCC1 ZINC000412025084 446791048 /nfs/dbraw/zinc/79/10/48/446791048.db2.gz PABYULYNYPYQTI-DOTOQJQBSA-N 1 3 333.476 1.953 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)COC(C)(C)C)CC2)CC1 ZINC000368332409 446791554 /nfs/dbraw/zinc/79/15/54/446791554.db2.gz NQERZROOVDHYRN-KRWDZBQOSA-N 1 3 341.540 1.512 20 0 EDADHO COCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000438885849 446803271 /nfs/dbraw/zinc/80/32/71/446803271.db2.gz VPZNZNVDDUNVMY-KRWDZBQOSA-N 1 3 344.459 1.265 20 0 EDADHO CN(CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000419003613 446859339 /nfs/dbraw/zinc/85/93/39/446859339.db2.gz QNDNDXMXHOSVAA-IAGOWNOFSA-N 1 3 346.475 1.011 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000424443367 446871169 /nfs/dbraw/zinc/87/11/69/446871169.db2.gz XPCUHOWTSRVJAY-HNNXBMFYSA-N 1 3 346.475 1.773 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424443367 446871179 /nfs/dbraw/zinc/87/11/79/446871179.db2.gz XPCUHOWTSRVJAY-HNNXBMFYSA-N 1 3 346.475 1.773 20 0 EDADHO O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424483494 446880141 /nfs/dbraw/zinc/88/01/41/446880141.db2.gz XZLNDXWHPFYPBR-FUHWJXTLSA-N 1 3 328.460 1.654 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598675 446971332 /nfs/dbraw/zinc/97/13/32/446971332.db2.gz RAHKPROEQHIWNC-KWXDATOUSA-N 1 3 349.519 1.772 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CN1C1CC1 ZINC000371885227 446971919 /nfs/dbraw/zinc/97/19/19/446971919.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 1 3 332.492 1.737 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CN1C1CC1 ZINC000371885227 446971923 /nfs/dbraw/zinc/97/19/23/446971923.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 1 3 332.492 1.737 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000419162049 446978783 /nfs/dbraw/zinc/97/87/83/446978783.db2.gz SXKSCJCHXJMFPZ-HZPDHXFCSA-N 1 3 340.512 1.055 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059078 447001904 /nfs/dbraw/zinc/00/19/04/447001904.db2.gz LXVNYGDMADEDRX-SJORKVTESA-N 1 3 333.476 1.939 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)ccc1C[NH+](C)C ZINC000421298019 447110791 /nfs/dbraw/zinc/11/07/91/447110791.db2.gz FPWOHNFLUJIBHD-KRWDZBQOSA-N 1 3 346.475 1.548 20 0 EDADHO CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421387685 447147294 /nfs/dbraw/zinc/14/72/94/447147294.db2.gz PGGDIXRSZNBFLO-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421387685 447147300 /nfs/dbraw/zinc/14/73/00/447147300.db2.gz PGGDIXRSZNBFLO-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N(C)C ZINC000455422486 447126577 /nfs/dbraw/zinc/12/65/77/447126577.db2.gz ADKSGEWDPNBYQU-IMJJTQAJSA-N 1 3 326.485 1.004 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375977116 447187093 /nfs/dbraw/zinc/18/70/93/447187093.db2.gz RIMCKEZAFPOZAE-UYAOXDASSA-N 1 3 343.471 1.259 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000377559610 447205491 /nfs/dbraw/zinc/20/54/91/447205491.db2.gz CAWXTDCWTWOHIO-KBAYOESNSA-N 1 3 330.476 1.798 20 0 EDADHO COC1([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)CCCCC1 ZINC000421838081 447262338 /nfs/dbraw/zinc/26/23/38/447262338.db2.gz UTCZVVVZZBRGPJ-SFHVURJKSA-N 1 3 341.540 1.704 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268940 /nfs/dbraw/zinc/26/89/40/447268940.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268946 /nfs/dbraw/zinc/26/89/46/447268946.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000458703622 447456889 /nfs/dbraw/zinc/45/68/89/447456889.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000458703622 447456897 /nfs/dbraw/zinc/45/68/97/447456897.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388586519 447480109 /nfs/dbraw/zinc/48/01/09/447480109.db2.gz HAWLMZQZZJWPLK-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820134 447482829 /nfs/dbraw/zinc/48/28/29/447482829.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820134 447482832 /nfs/dbraw/zinc/48/28/32/447482832.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904126 447488707 /nfs/dbraw/zinc/48/87/07/447488707.db2.gz FYRJPYIIOPAUMX-ZFWWWQNUSA-N 1 3 344.484 1.895 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931447 447489126 /nfs/dbraw/zinc/48/91/26/447489126.db2.gz LFBIIYRXYVYUBU-WBVHZDCISA-N 1 3 331.460 1.379 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390847581 447502840 /nfs/dbraw/zinc/50/28/40/447502840.db2.gz BYWFXUOHJVZWBV-ZWKOTPCHSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985248 447508418 /nfs/dbraw/zinc/50/84/18/447508418.db2.gz XNUMFTPEJIZBKF-CRAIPNDOSA-N 1 3 331.460 1.249 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415486199 447474260 /nfs/dbraw/zinc/47/42/60/447474260.db2.gz RGHUMUHHBWYMRN-UHFFFAOYSA-N 1 3 334.464 1.438 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CN2CCCCC2)CCCCC1 ZINC000427051480 447535653 /nfs/dbraw/zinc/53/56/53/447535653.db2.gz BVEDBWNQBLARIU-INIZCTEOSA-N 1 3 325.497 1.462 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000457531925 447589952 /nfs/dbraw/zinc/58/99/52/447589952.db2.gz LXKUIJHNQQGXCY-WMZOPIPTSA-N 1 3 349.523 1.473 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000457531925 447589953 /nfs/dbraw/zinc/58/99/53/447589953.db2.gz LXKUIJHNQQGXCY-WMZOPIPTSA-N 1 3 349.523 1.473 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000450733784 447560283 /nfs/dbraw/zinc/56/02/83/447560283.db2.gz SCPCUTHOMHDUMH-IRXDYDNUSA-N 1 3 347.503 1.682 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H](C)CO)CC1 ZINC000450733784 447560293 /nfs/dbraw/zinc/56/02/93/447560293.db2.gz SCPCUTHOMHDUMH-IRXDYDNUSA-N 1 3 347.503 1.682 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCN1CCCO ZINC000457538399 447591198 /nfs/dbraw/zinc/59/11/98/447591198.db2.gz ZFQGMSUJAIHXAL-INIZCTEOSA-N 1 3 326.485 1.008 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416838992 447694864 /nfs/dbraw/zinc/69/48/64/447694864.db2.gz JRISERLKFPXCBZ-RCCFBDPRSA-N 1 3 328.460 1.654 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416852781 447696754 /nfs/dbraw/zinc/69/67/54/447696754.db2.gz NAJOLCIICVKJND-RDJZCZTQSA-N 1 3 334.464 1.869 20 0 EDADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000496062390 447700359 /nfs/dbraw/zinc/70/03/59/447700359.db2.gz DYVOMLCIZKMWFW-UHFFFAOYSA-N 1 3 341.500 1.890 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594923 447662550 /nfs/dbraw/zinc/66/25/50/447662550.db2.gz SXPQFEBOAAMJQA-KRWDZBQOSA-N 1 3 328.460 1.798 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000422754136 447739548 /nfs/dbraw/zinc/73/95/48/447739548.db2.gz ACHJRJIOLSPPIZ-DFQSSKMNSA-N 1 3 346.519 1.146 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803011 447754451 /nfs/dbraw/zinc/75/44/51/447754451.db2.gz CGBRVQLLDNBPIG-QFBILLFUSA-N 1 3 334.483 1.925 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845117 447767752 /nfs/dbraw/zinc/76/77/52/447767752.db2.gz NLJVAUUNVQPXIU-IEBWSBKVSA-N 1 3 344.503 1.703 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422925192 447773157 /nfs/dbraw/zinc/77/31/57/447773157.db2.gz AQBKGXQVGVDEPI-DOTOQJQBSA-N 1 3 337.489 1.688 20 0 EDADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000430564458 447779510 /nfs/dbraw/zinc/77/95/10/447779510.db2.gz BFFVJUISYAMISQ-INIZCTEOSA-N 1 3 340.855 1.731 20 0 EDADHO CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)ncn1)[C@@H]1CCCCN1 ZINC000422960118 447781430 /nfs/dbraw/zinc/78/14/30/447781430.db2.gz AVEHVDLFZTXQFT-PMPSAXMXSA-N 1 3 332.496 1.997 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000431313052 447797629 /nfs/dbraw/zinc/79/76/29/447797629.db2.gz LCDAGDYIAQNVGI-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999119 447867799 /nfs/dbraw/zinc/86/77/99/447867799.db2.gz VJMFBOZZQORLQQ-ZBFHGGJFSA-N 1 3 336.480 1.023 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000575779116 447897655 /nfs/dbraw/zinc/89/76/55/447897655.db2.gz KMAGJZICQFHKAV-IAGOWNOFSA-N 1 3 346.475 1.378 20 0 EDADHO Cc1cccc2c1OCC[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530492060 447898745 /nfs/dbraw/zinc/89/87/45/447898745.db2.gz FJHRLEZLJIBVOC-QGZVFWFLSA-N 1 3 348.491 1.953 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524903165 447959661 /nfs/dbraw/zinc/95/96/61/447959661.db2.gz CMXDFKAIXSRRNJ-IAGOWNOFSA-N 1 3 342.528 1.717 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3CCO)CC2)CC1 ZINC000576120337 447978768 /nfs/dbraw/zinc/97/87/68/447978768.db2.gz CHOPZSCQZKGGRH-GOSISDBHSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(F)cc1F ZINC000525445936 448000194 /nfs/dbraw/zinc/00/01/94/448000194.db2.gz PXNQVRGCULQFLW-UHFFFAOYSA-N 1 3 328.407 1.600 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000496889795 448006353 /nfs/dbraw/zinc/00/63/53/448006353.db2.gz KBCPEYBFOLYQRK-GUYCJALGSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000496889795 448006358 /nfs/dbraw/zinc/00/63/58/448006358.db2.gz KBCPEYBFOLYQRK-GUYCJALGSA-N 1 3 327.469 1.336 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000525692910 448012276 /nfs/dbraw/zinc/01/22/76/448012276.db2.gz KUJAUBRBBAOPIS-LJQANCHMSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000525692910 448012281 /nfs/dbraw/zinc/01/22/81/448012281.db2.gz KUJAUBRBBAOPIS-LJQANCHMSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000576330204 448028445 /nfs/dbraw/zinc/02/84/45/448028445.db2.gz ANXMHXAGJUMFPF-MRXNPFEDSA-N 1 3 334.464 1.507 20 0 EDADHO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000576465659 448061605 /nfs/dbraw/zinc/06/16/05/448061605.db2.gz HXVKNQHQURHQEI-ZWKOTPCHSA-N 1 3 330.476 1.942 20 0 EDADHO CC[NH+](CC)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531285058 448052545 /nfs/dbraw/zinc/05/25/45/448052545.db2.gz LHNYPOFQNBSUEA-IBGZPJMESA-N 1 3 333.476 1.472 20 0 EDADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](c1ccccc1)N(C)C ZINC000570823933 448070586 /nfs/dbraw/zinc/07/05/86/448070586.db2.gz NZAMKSPOWHTWDG-QAPCUYQASA-N 1 3 343.475 1.866 20 0 EDADHO CC[C@@H](C)n1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000526169832 448109691 /nfs/dbraw/zinc/10/96/91/448109691.db2.gz GSUHJNWXGYNBBU-CQSZACIVSA-N 1 3 338.500 2.120 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000576887131 448164591 /nfs/dbraw/zinc/16/45/91/448164591.db2.gz DLYLLNXMIOJSKU-RYUDHWBXSA-N 1 3 349.859 1.617 20 0 EDADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306263 448263080 /nfs/dbraw/zinc/26/30/80/448263080.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 1 3 338.540 1.103 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000515485789 448320104 /nfs/dbraw/zinc/32/01/04/448320104.db2.gz ADTYVIGOCXMOLY-CRAIPNDOSA-N 1 3 330.476 1.761 20 0 EDADHO CCC1(CC)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1OC ZINC000532594748 448278746 /nfs/dbraw/zinc/27/87/46/448278746.db2.gz WKTCRVLGNWRDKF-CVEARBPZSA-N 1 3 342.528 1.715 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000515654895 448339107 /nfs/dbraw/zinc/33/91/07/448339107.db2.gz BVRFBCODZQRVOV-VYDXJSESSA-N 1 3 331.464 1.237 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000582797590 448344321 /nfs/dbraw/zinc/34/43/21/448344321.db2.gz VHRKXHBNQPMRNQ-MSOLQXFVSA-N 1 3 330.476 1.682 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)CC[NH2+]C2CC2)C1 ZINC000566470739 448485347 /nfs/dbraw/zinc/48/53/47/448485347.db2.gz PJIUISMRXOQGKO-OAHLLOKOSA-N 1 3 344.459 1.465 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210865 448487382 /nfs/dbraw/zinc/48/73/82/448487382.db2.gz GNFBETHXOBIHPL-FUHWJXTLSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210865 448487387 /nfs/dbraw/zinc/48/73/87/448487387.db2.gz GNFBETHXOBIHPL-FUHWJXTLSA-N 1 3 338.496 1.149 20 0 EDADHO Cc1ccc(NC(=O)CCNCC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000572952663 448504203 /nfs/dbraw/zinc/50/42/03/448504203.db2.gz CHNXRYOAJBSALN-UHFFFAOYSA-N 1 3 346.475 1.953 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC000573157589 448556118 /nfs/dbraw/zinc/55/61/18/448556118.db2.gz HNCAPADHTDWLRU-SFHVURJKSA-N 1 3 349.475 1.850 20 0 EDADHO Cc1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000578500894 448561569 /nfs/dbraw/zinc/56/15/69/448561569.db2.gz JKZIPLPPRBQRDT-GOSISDBHSA-N 1 3 348.495 1.969 20 0 EDADHO CSC1(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CCN(C)CC1 ZINC000566845673 448567788 /nfs/dbraw/zinc/56/77/88/448567788.db2.gz HGSCWLCOMHTUHT-ZIAGYGMSSA-N 1 3 328.526 1.501 20 0 EDADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428488 448622687 /nfs/dbraw/zinc/62/26/87/448622687.db2.gz MWKUYCJMWVYCDE-CGTJXYLNSA-N 1 3 330.476 1.948 20 0 EDADHO COC1CCN(C2(C[NH2+]C[C@@H](O)CN(C)C3CC3)CCCC2)CC1 ZINC000573317341 448594932 /nfs/dbraw/zinc/59/49/32/448594932.db2.gz FPNZBTSTOFIUAQ-QGZVFWFLSA-N 1 3 339.524 1.455 20 0 EDADHO O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[C@H](N2CC=CC2)C1 ZINC000528711682 448640530 /nfs/dbraw/zinc/64/05/30/448640530.db2.gz FCJPKOHAUQOFRW-INIZCTEOSA-N 1 3 328.416 1.647 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H](C)C1 ZINC000567290141 448658789 /nfs/dbraw/zinc/65/87/89/448658789.db2.gz XDXXDAAUMQTHBV-YQQAZPJKSA-N 1 3 333.480 1.247 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](OC)C(C)C)CC2)CC1 ZINC000573932180 448751394 /nfs/dbraw/zinc/75/13/94/448751394.db2.gz FFRRNTVEXXQKIK-SFHVURJKSA-N 1 3 339.524 1.970 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296970 448811796 /nfs/dbraw/zinc/81/17/96/448811796.db2.gz HAXVPCYKEASXFU-DOTOQJQBSA-N 1 3 346.475 1.629 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195369 448814175 /nfs/dbraw/zinc/81/41/75/448814175.db2.gz UZJXUWCBJBWPRX-ZJPYXAASSA-N 1 3 327.513 1.311 20 0 EDADHO C[C@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)N1CCCCC1 ZINC000574195369 448814177 /nfs/dbraw/zinc/81/41/77/448814177.db2.gz UZJXUWCBJBWPRX-ZJPYXAASSA-N 1 3 327.513 1.311 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580901 448825112 /nfs/dbraw/zinc/82/51/12/448825112.db2.gz ZVLSASLEXKTJDG-NUJGCVRESA-N 1 3 331.460 1.644 20 0 EDADHO CC[C@H]1CN(CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489685 448860870 /nfs/dbraw/zinc/86/08/70/448860870.db2.gz ZQNDKOKUDFLDTE-HOTGVXAUSA-N 1 3 332.448 1.462 20 0 EDADHO CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000568738778 448912503 /nfs/dbraw/zinc/91/25/03/448912503.db2.gz TUBZFEVRTBEANP-MSOLQXFVSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000579830233 448889645 /nfs/dbraw/zinc/88/96/45/448889645.db2.gz RNOIQIPDYHFFCT-XYPHTWIQSA-N 1 3 332.448 1.230 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)CNCCO4)c21 ZINC000592552684 448895448 /nfs/dbraw/zinc/89/54/48/448895448.db2.gz NRQYICBYWGSSGW-LBPRGKRZSA-N 1 3 341.415 1.454 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589144045 448977202 /nfs/dbraw/zinc/97/72/02/448977202.db2.gz AGMKHGDMUPYMAX-RTBURBONSA-N 1 3 342.487 1.990 20 0 EDADHO CC(C)(C)[C@H](CO)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520957150 448941033 /nfs/dbraw/zinc/94/10/33/448941033.db2.gz WBUOSBIZUBYIIY-SFHVURJKSA-N 1 3 347.503 1.895 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999816 449010806 /nfs/dbraw/zinc/01/08/06/449010806.db2.gz NLUWSHZRKDQPSJ-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574999816 449010812 /nfs/dbraw/zinc/01/08/12/449010812.db2.gz NLUWSHZRKDQPSJ-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000575056509 449024735 /nfs/dbraw/zinc/02/47/35/449024735.db2.gz DOKFDWZCOAFCAS-IBGZPJMESA-N 1 3 344.503 1.670 20 0 EDADHO C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000592956113 449076791 /nfs/dbraw/zinc/07/67/91/449076791.db2.gz DJQVHFYMTRYPPT-RBSFLKMASA-N 1 3 333.480 1.712 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCNC12CCC2 ZINC000530215813 449084996 /nfs/dbraw/zinc/08/49/96/449084996.db2.gz JHALMLAKOKSAFG-CJNGLKHVSA-N 1 3 327.428 1.935 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC[NH+](C)CC1 ZINC000595634228 449092137 /nfs/dbraw/zinc/09/21/37/449092137.db2.gz GNGSNNLXWONDIH-AWEZNQCLSA-N 1 3 342.553 1.986 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc12 ZINC000530248378 449093314 /nfs/dbraw/zinc/09/33/14/449093314.db2.gz KJWPUIDUDVFDBQ-QGZVFWFLSA-N 1 3 343.475 1.867 20 0 EDADHO CC[C@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427045 449382424 /nfs/dbraw/zinc/38/24/24/449382424.db2.gz NZNZNOPNIHIEGR-CVEARBPZSA-N 1 3 338.496 1.048 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112602 449463784 /nfs/dbraw/zinc/46/37/84/449463784.db2.gz COEWENSICNWBID-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000617507467 449658804 /nfs/dbraw/zinc/65/88/04/449658804.db2.gz XRJAWSFIYGEPRG-AWEZNQCLSA-N 1 3 346.479 1.417 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000617507467 449658807 /nfs/dbraw/zinc/65/88/07/449658807.db2.gz XRJAWSFIYGEPRG-AWEZNQCLSA-N 1 3 346.479 1.417 20 0 EDADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CCN(CCO)CC1 ZINC000601323150 449831833 /nfs/dbraw/zinc/83/18/33/449831833.db2.gz SVZOMFIQKCINIP-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO N[C@@H]1CCCCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324067 449832042 /nfs/dbraw/zinc/83/20/42/449832042.db2.gz GVXXIUKQZOJSIC-MRXNPFEDSA-N 1 3 332.448 1.606 20 0 EDADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324067 449832050 /nfs/dbraw/zinc/83/20/50/449832050.db2.gz GVXXIUKQZOJSIC-MRXNPFEDSA-N 1 3 332.448 1.606 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000616782578 450483543 /nfs/dbraw/zinc/48/35/43/450483543.db2.gz KYZZSDLIBVHJMU-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000616783554 450483905 /nfs/dbraw/zinc/48/39/05/450483905.db2.gz DEKJEZUWPCLMGN-QKPAOTATSA-N 1 3 340.512 1.210 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000616783554 450483906 /nfs/dbraw/zinc/48/39/06/450483906.db2.gz DEKJEZUWPCLMGN-QKPAOTATSA-N 1 3 340.512 1.210 20 0 EDADHO CO[C@H]1C[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564787 450543663 /nfs/dbraw/zinc/54/36/63/450543663.db2.gz QUYSGDOQTGPPTB-KDYLLFBJSA-N 1 3 338.496 1.269 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCCN2C2CCCC2)CCO1 ZINC000620971387 450567532 /nfs/dbraw/zinc/56/75/32/450567532.db2.gz HYJRDNVHNWEGNS-ZWKOTPCHSA-N 1 3 337.508 1.963 20 0 EDADHO CN(CCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1)Cc1ccco1 ZINC000633057561 450651598 /nfs/dbraw/zinc/65/15/98/450651598.db2.gz KXTXUUJLAAEPRY-UHFFFAOYSA-N 1 3 347.463 1.632 20 0 EDADHO Nc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000624041916 450681915 /nfs/dbraw/zinc/68/19/15/450681915.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 1 3 339.447 1.188 20 0 EDADHO Nc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000624041916 450681918 /nfs/dbraw/zinc/68/19/18/450681918.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 1 3 339.447 1.188 20 0 EDADHO C[C@H](NCCOCCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000629542264 450728567 /nfs/dbraw/zinc/72/85/67/450728567.db2.gz XJRIUCCSZQTWGB-AWEZNQCLSA-N 1 3 341.477 1.243 20 0 EDADHO CN(C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631678772 450709922 /nfs/dbraw/zinc/70/99/22/450709922.db2.gz QICKAZGJAXCHGA-UHFFFAOYSA-N 1 3 339.505 1.654 20 0 EDADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119637 450715572 /nfs/dbraw/zinc/71/55/72/450715572.db2.gz GORUWCUIMPRDDP-CABCVRRESA-N 1 3 339.505 1.977 20 0 EDADHO C[NH2+]CCOCCN[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000629530011 450725611 /nfs/dbraw/zinc/72/56/11/450725611.db2.gz STIOBCPVKBEMTF-DLBZAZTESA-N 1 3 341.883 1.537 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629553295 450731969 /nfs/dbraw/zinc/73/19/69/450731969.db2.gz GYCZXCYCDUJSRN-KFWWJZLASA-N 1 3 327.428 1.935 20 0 EDADHO O[C@H](CNCc1ccc(CN2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562366 450737842 /nfs/dbraw/zinc/73/78/42/450737842.db2.gz BQQRGAQXRYPOLQ-HXUWFJFHSA-N 1 3 347.503 1.190 20 0 EDADHO CC(C)(CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCCCC1 ZINC000631730580 450739585 /nfs/dbraw/zinc/73/95/85/450739585.db2.gz YHNAYJJJUWQKSN-UHFFFAOYSA-N 1 3 331.526 1.656 20 0 EDADHO C[C@H](C[NH2+]C[C@H](O)CN1CCCC1)c1nc(-c2ccccc2)no1 ZINC000629573569 450742482 /nfs/dbraw/zinc/74/24/82/450742482.db2.gz FTOBKSVKDKUUGV-ZBFHGGJFSA-N 1 3 330.432 1.886 20 0 EDADHO COc1ccc(Cl)cc1NC(=O)CCN(C)CCOCC[NH3+] ZINC000629578407 450746083 /nfs/dbraw/zinc/74/60/83/450746083.db2.gz CDLMOKSTNSJBIU-UHFFFAOYSA-N 1 3 329.828 1.584 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890171 450850972 /nfs/dbraw/zinc/85/09/72/450850972.db2.gz NBSUPOZRKWJUEA-CEXWTWQISA-N 1 3 344.503 1.479 20 0 EDADHO C[C@H]1CC2(CN1S(=O)(=O)CCCN1CCCC1)CC[NH2+]CC2 ZINC000631946649 450904840 /nfs/dbraw/zinc/90/48/40/450904840.db2.gz GNKGYYMFQYFHRO-HNNXBMFYSA-N 1 3 329.510 1.266 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631949716 450908418 /nfs/dbraw/zinc/90/84/18/450908418.db2.gz NEGYTGRWUCQJFT-KRWDZBQOSA-N 1 3 343.537 1.514 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000631954268 450913122 /nfs/dbraw/zinc/91/31/22/450913122.db2.gz GNOBRJDMOFEOTB-DLBZAZTESA-N 1 3 337.489 1.147 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000631976712 450935164 /nfs/dbraw/zinc/93/51/64/450935164.db2.gz DWPAFDAAPHOVNW-HNNXBMFYSA-N 1 3 339.505 1.805 20 0 EDADHO O[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979906 /nfs/dbraw/zinc/97/99/06/450979906.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 1 3 338.492 1.228 20 0 EDADHO O[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979909 /nfs/dbraw/zinc/97/99/09/450979909.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 1 3 338.492 1.228 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000626909110 450997976 /nfs/dbraw/zinc/99/79/76/450997976.db2.gz KBBFUFUVFJUZNA-WMLDXEAASA-N 1 3 344.459 1.478 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000626920331 451003965 /nfs/dbraw/zinc/00/39/65/451003965.db2.gz WSQGTGUJYFLKKZ-BMGDILEWSA-N 1 3 346.475 1.882 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])N2CCCC2)cc1 ZINC000626957400 451034393 /nfs/dbraw/zinc/03/43/93/451034393.db2.gz QBIZRUXBEKDFKO-SFHVURJKSA-N 1 3 348.491 1.749 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000632101170 451037378 /nfs/dbraw/zinc/03/73/78/451037378.db2.gz QOYCTMVAYSVZDO-HOTGVXAUSA-N 1 3 348.495 1.143 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000632101170 451037383 /nfs/dbraw/zinc/03/73/83/451037383.db2.gz QOYCTMVAYSVZDO-HOTGVXAUSA-N 1 3 348.495 1.143 20 0 EDADHO CN(CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)CC(C)(C)C ZINC000635543004 451038531 /nfs/dbraw/zinc/03/85/31/451038531.db2.gz KDTYVVOTIQZECT-UHFFFAOYSA-N 1 3 338.540 1.450 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)N(C)C1CC1 ZINC000626970170 451041278 /nfs/dbraw/zinc/04/12/78/451041278.db2.gz KGSRVONJEPESAW-MDZLAQPJSA-N 1 3 336.402 1.638 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000627013752 451078020 /nfs/dbraw/zinc/07/80/20/451078020.db2.gz RDHYPNJDENAGBX-FUHWJXTLSA-N 1 3 348.491 1.384 20 0 EDADHO CN(C)CCCS(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000632262300 451152878 /nfs/dbraw/zinc/15/28/78/451152878.db2.gz PKXWZDCXWFGUAM-UHFFFAOYSA-N 1 3 327.494 1.162 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627174374 451165260 /nfs/dbraw/zinc/16/52/60/451165260.db2.gz IEHDLGZPCWHYPJ-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO CCN[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000638089010 451253032 /nfs/dbraw/zinc/25/30/32/451253032.db2.gz JXKJSYAQWAHQKN-CQSZACIVSA-N 1 3 346.475 1.363 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](OC)CN2)C1 ZINC000638112119 451280030 /nfs/dbraw/zinc/28/00/30/451280030.db2.gz QMJVNBWRVDTSGJ-RVKKMQEKSA-N 1 3 325.497 1.770 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](OC)CN2)C1 ZINC000638112119 451280035 /nfs/dbraw/zinc/28/00/35/451280035.db2.gz QMJVNBWRVDTSGJ-RVKKMQEKSA-N 1 3 325.497 1.770 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000638116012 451284774 /nfs/dbraw/zinc/28/47/74/451284774.db2.gz BZUIZGHBKKMVTL-LNLFQRSKSA-N 1 3 331.460 1.534 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578170 451319621 /nfs/dbraw/zinc/31/96/21/451319621.db2.gz DQJJCSFZLNXHTB-WMLDXEAASA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578170 451319628 /nfs/dbraw/zinc/31/96/28/451319628.db2.gz DQJJCSFZLNXHTB-WMLDXEAASA-N 1 3 346.479 1.898 20 0 EDADHO C[C@@H](CCCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638242527 451376904 /nfs/dbraw/zinc/37/69/04/451376904.db2.gz OMLXCTRXDVWNEZ-ZDUSSCGKSA-N 1 3 347.463 1.551 20 0 EDADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638247186 451379193 /nfs/dbraw/zinc/37/91/93/451379193.db2.gz HCIWYGXXHJCJLU-CADBVGFASA-N 1 3 345.462 1.961 20 0 EDADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638247186 451379198 /nfs/dbraw/zinc/37/91/98/451379198.db2.gz HCIWYGXXHJCJLU-CADBVGFASA-N 1 3 345.462 1.961 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630747833 451381809 /nfs/dbraw/zinc/38/18/09/451381809.db2.gz WXPIMZMERXYRKM-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630747833 451381815 /nfs/dbraw/zinc/38/18/15/451381815.db2.gz WXPIMZMERXYRKM-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636598742 451339434 /nfs/dbraw/zinc/33/94/34/451339434.db2.gz SGMSPZWVAUMNIN-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO O[C@@]1(CN2CCN(CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642533 451435502 /nfs/dbraw/zinc/43/55/02/451435502.db2.gz LPRLLOXXXIGZQQ-HXUWFJFHSA-N 1 3 329.488 1.651 20 0 EDADHO O[C@@]1(CN2CCN(CC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642533 451435508 /nfs/dbraw/zinc/43/55/08/451435508.db2.gz LPRLLOXXXIGZQQ-HXUWFJFHSA-N 1 3 329.488 1.651 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000638373048 451470478 /nfs/dbraw/zinc/47/04/78/451470478.db2.gz JVAALPLKTKVGGG-SFHVURJKSA-N 1 3 349.475 1.056 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000638373048 451470481 /nfs/dbraw/zinc/47/04/81/451470481.db2.gz JVAALPLKTKVGGG-SFHVURJKSA-N 1 3 349.475 1.056 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)CC2(O)CCOCC2)c1 ZINC000634700492 451473932 /nfs/dbraw/zinc/47/39/32/451473932.db2.gz ANNCOPOQEXZZDF-SFHVURJKSA-N 1 3 336.476 1.520 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)CC2(O)CCOCC2)c1 ZINC000634700492 451473937 /nfs/dbraw/zinc/47/39/37/451473937.db2.gz ANNCOPOQEXZZDF-SFHVURJKSA-N 1 3 336.476 1.520 20 0 EDADHO C[NH+](C)CCc1ccc(CNC[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000634711828 451490765 /nfs/dbraw/zinc/49/07/65/451490765.db2.gz VFGDCVBJLRWCCD-SFHVURJKSA-N 1 3 336.476 1.173 20 0 EDADHO O[C@]1(CNCC2(N3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713108 451492978 /nfs/dbraw/zinc/49/29/78/451492978.db2.gz QMXBFSXYBXFRGH-FQEVSTJZSA-N 1 3 345.487 1.078 20 0 EDADHO O[C@]1(CNCC2(N3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713108 451492985 /nfs/dbraw/zinc/49/29/85/451492985.db2.gz QMXBFSXYBXFRGH-FQEVSTJZSA-N 1 3 345.487 1.078 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)C1 ZINC000638415559 451501623 /nfs/dbraw/zinc/50/16/23/451501623.db2.gz IHBIIKGSLISKRC-WSTZPKSXSA-N 1 3 345.487 1.529 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC1CCN([C@H]2CCOC2)CC1 ZINC000638424127 451506367 /nfs/dbraw/zinc/50/63/67/451506367.db2.gz IAMCFHXSISTDKP-SFHVURJKSA-N 1 3 343.471 1.244 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cn(C[C@H]3CCC[NH2+]3)nn1)CCC2 ZINC000638543249 451569632 /nfs/dbraw/zinc/56/96/32/451569632.db2.gz GWIUMORDPPGBSE-OAHLLOKOSA-N 1 3 340.431 1.082 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000638565235 451580132 /nfs/dbraw/zinc/58/01/32/451580132.db2.gz YOQVNGQVOWIVKD-YPMHNXCESA-N 1 3 347.385 1.044 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000638669932 451641887 /nfs/dbraw/zinc/64/18/87/451641887.db2.gz YDZZGHVYCDSHKE-MRXNPFEDSA-N 1 3 339.524 1.312 20 0 EDADHO CC(C)(CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCOCC1 ZINC000638751450 451677542 /nfs/dbraw/zinc/67/75/42/451677542.db2.gz RHQSTXLWNCQPOO-MSOLQXFVSA-N 1 3 339.524 1.455 20 0 EDADHO COCC1(C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCC1 ZINC000638873903 451715654 /nfs/dbraw/zinc/71/56/54/451715654.db2.gz VIAARKKRPQAXFC-UHFFFAOYSA-N 1 3 333.476 1.884 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000638725504 451666465 /nfs/dbraw/zinc/66/64/65/451666465.db2.gz BAFNVTLAJAUWKE-AEFFLSMTSA-N 1 3 335.492 1.480 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641041355 451739636 /nfs/dbraw/zinc/73/96/36/451739636.db2.gz BBVFRCRDKJEGRJ-CQSZACIVSA-N 1 3 333.436 1.064 20 0 EDADHO CN1CCC(n2cc(NC(=O)c3csc(CC[NH3+])n3)cn2)CC1 ZINC000638977306 451744407 /nfs/dbraw/zinc/74/44/07/451744407.db2.gz KAGHPOPWMQTRJV-UHFFFAOYSA-N 1 3 334.449 1.360 20 0 EDADHO COCC1(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC[NH2+]CC1 ZINC000638978097 451744560 /nfs/dbraw/zinc/74/45/60/451744560.db2.gz UQNIMPPPCSMHHQ-UHFFFAOYSA-N 1 3 335.452 1.105 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207474 451756270 /nfs/dbraw/zinc/75/62/70/451756270.db2.gz IRWQHODBFXZUIH-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)ns1 ZINC000639171172 451784172 /nfs/dbraw/zinc/78/41/72/451784172.db2.gz TZEFNEXEIWBQMI-AWEZNQCLSA-N 1 3 326.510 2.000 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000639270660 451802189 /nfs/dbraw/zinc/80/21/89/451802189.db2.gz QQHVMKNOFOFSSB-IBGZPJMESA-N 1 3 345.487 1.899 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006591 451804770 /nfs/dbraw/zinc/80/47/70/451804770.db2.gz QQYNYSNSQVFRAZ-ZWKOTPCHSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562016 451863306 /nfs/dbraw/zinc/86/33/06/451863306.db2.gz NZXAFSVMUQNVFT-POAQFYNOSA-N 1 3 331.504 1.909 20 0 EDADHO COCCOC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245837 451928358 /nfs/dbraw/zinc/92/83/58/451928358.db2.gz IIZFZONINHHIKW-SFHVURJKSA-N 1 3 328.497 1.598 20 0 EDADHO COCCC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000649287642 451961304 /nfs/dbraw/zinc/96/13/04/451961304.db2.gz YOBUXNMROJPGKR-UHFFFAOYSA-N 1 3 349.475 1.972 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649299261 451977211 /nfs/dbraw/zinc/97/72/11/451977211.db2.gz CPRUYFGWJBKKFI-GFCCVEGCSA-N 1 3 327.375 1.940 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000649302885 451978291 /nfs/dbraw/zinc/97/82/91/451978291.db2.gz BNHUJSCJFZGWCO-CABCVRRESA-N 1 3 325.403 1.959 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2cccnc2c1 ZINC000637629861 451979617 /nfs/dbraw/zinc/97/96/17/451979617.db2.gz CIYGHYIPZPTQGU-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642906624 451984493 /nfs/dbraw/zinc/98/44/93/451984493.db2.gz XPAPDNWTIZETAS-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO COCCC1(C(=O)NC[C@H](C)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000649309909 451987514 /nfs/dbraw/zinc/98/75/14/451987514.db2.gz JWOSSRSOBIGYQU-INIZCTEOSA-N 1 3 325.497 1.629 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000649312347 451989828 /nfs/dbraw/zinc/98/98/28/451989828.db2.gz IZZAFVIIZGTELF-JSGCOSHPSA-N 1 3 346.431 1.470 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000646992103 451992137 /nfs/dbraw/zinc/99/21/37/451992137.db2.gz ZJIBTTDPNDGOBA-UHFFFAOYSA-N 1 3 330.476 1.782 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649344430 452025043 /nfs/dbraw/zinc/02/50/43/452025043.db2.gz XNZZRYFSSGEZLF-ZIAGYGMSSA-N 1 3 333.423 1.191 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000649350471 452033120 /nfs/dbraw/zinc/03/31/20/452033120.db2.gz FPPCDPFMYBGAFU-APWZRJJASA-N 1 3 328.460 1.515 20 0 EDADHO Cc1nccn1[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412996 452075991 /nfs/dbraw/zinc/07/59/91/452075991.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 1 3 328.460 1.759 20 0 EDADHO Cc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000649412996 452075996 /nfs/dbraw/zinc/07/59/96/452075996.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 1 3 328.460 1.759 20 0 EDADHO Cc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000649412996 452076000 /nfs/dbraw/zinc/07/60/00/452076000.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 1 3 328.460 1.759 20 0 EDADHO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N1CCCNCC1 ZINC000637803877 452090908 /nfs/dbraw/zinc/09/09/08/452090908.db2.gz QFQJRXFHFPHEAI-AZUAARDMSA-N 1 3 343.471 1.347 20 0 EDADHO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N1CCCNCC1 ZINC000637803877 452090913 /nfs/dbraw/zinc/09/09/13/452090913.db2.gz QFQJRXFHFPHEAI-AZUAARDMSA-N 1 3 343.471 1.347 20 0 EDADHO CN(c1ccccc1C[NH2+]CC[C@]1(O)CCOC1)C1CCN(C)CC1 ZINC000651943147 452183319 /nfs/dbraw/zinc/18/33/19/452183319.db2.gz HIFDEIRVZLLTAL-FQEVSTJZSA-N 1 3 347.503 1.848 20 0 EDADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000643474918 452240428 /nfs/dbraw/zinc/24/04/28/452240428.db2.gz NOQWEEUTVHPPPF-QNDJGXFYSA-N 1 3 331.460 1.551 20 0 EDADHO C[C@@H](NC(=O)N1CCOC2(CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000645306956 452286054 /nfs/dbraw/zinc/28/60/54/452286054.db2.gz ZKPRCUYWDQEIIL-OAHLLOKOSA-N 1 3 338.496 1.223 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000659454664 452304190 /nfs/dbraw/zinc/30/41/90/452304190.db2.gz LLNUTGZXCOCFNO-TVRKMHQQSA-N 1 3 328.460 1.784 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@H](N)CN(C)Cc1ccccc1)C(C)C ZINC000638047387 452316056 /nfs/dbraw/zinc/31/60/56/452316056.db2.gz GKTXNXPWYRJDMR-GOSISDBHSA-N 1 3 334.508 1.681 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCOC1 ZINC000638050069 452321201 /nfs/dbraw/zinc/32/12/01/452321201.db2.gz JTFBDGIPKMYYKY-PKOBYXMFSA-N 1 3 331.460 1.695 20 0 EDADHO CCOC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759480 452326667 /nfs/dbraw/zinc/32/66/67/452326667.db2.gz ILUJNKBVSUQIMM-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CCOC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759480 452326660 /nfs/dbraw/zinc/32/66/60/452326660.db2.gz ILUJNKBVSUQIMM-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482053 452340789 /nfs/dbraw/zinc/34/07/89/452340789.db2.gz UGDRXVVHINIUDE-DZJNRPSUSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482053 452340802 /nfs/dbraw/zinc/34/08/02/452340802.db2.gz UGDRXVVHINIUDE-DZJNRPSUSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H](CO)[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763443 452342724 /nfs/dbraw/zinc/34/27/24/452342724.db2.gz AVXCZPYPMQGGDT-ULQDDVLXSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](CO)[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763443 452342732 /nfs/dbraw/zinc/34/27/32/452342732.db2.gz AVXCZPYPMQGGDT-ULQDDVLXSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccccc1C(=O)N(C)C ZINC000657573055 452343056 /nfs/dbraw/zinc/34/30/56/452343056.db2.gz IOOCCNDJTJGXPT-INIZCTEOSA-N 1 3 334.508 1.750 20 0 EDADHO COCCN1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000657595195 452363672 /nfs/dbraw/zinc/36/36/72/452363672.db2.gz FVHGWLKMCUJRDV-OALUTQOASA-N 1 3 333.476 1.064 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179624 452373881 /nfs/dbraw/zinc/37/38/81/452373881.db2.gz SSXFWWFSBGYWQW-WBVHZDCISA-N 1 3 330.476 1.935 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H](N)c2ccccc2)CCO1 ZINC000659520451 452382832 /nfs/dbraw/zinc/38/28/32/452382832.db2.gz QIDGVVMCUQEAEW-DLBZAZTESA-N 1 3 334.464 1.439 20 0 EDADHO COC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCCCN1 ZINC000638077850 452391811 /nfs/dbraw/zinc/39/18/11/452391811.db2.gz BSPMPKUPKWAEBT-JQHSSLGASA-N 1 3 325.497 1.772 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000654351276 452400833 /nfs/dbraw/zinc/40/08/33/452400833.db2.gz DZRMXVXEKWOACY-KSZLIROESA-N 1 3 332.492 1.799 20 0 EDADHO N[C@H](CNC(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652208582 452404435 /nfs/dbraw/zinc/40/44/35/452404435.db2.gz IVVGRPBGAYGYRI-TVFCKZIOSA-N 1 3 346.475 1.614 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575988 452430991 /nfs/dbraw/zinc/43/09/91/452430991.db2.gz XLMBXJJDEBMGDQ-KZNAEPCWSA-N 1 3 330.476 1.916 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCCNCC2)cc1 ZINC000659587216 452442667 /nfs/dbraw/zinc/44/26/67/452442667.db2.gz PWMOCSXBKMVZHD-ROUUACIJSA-N 1 3 346.475 1.536 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654404507 452456944 /nfs/dbraw/zinc/45/69/44/452456944.db2.gz OIEZHFOCSFQBML-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654404507 452456950 /nfs/dbraw/zinc/45/69/50/452456950.db2.gz OIEZHFOCSFQBML-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1Cc2ccccc21 ZINC000663778476 452507866 /nfs/dbraw/zinc/50/78/66/452507866.db2.gz SQMBIADIQOFAGV-DOTOQJQBSA-N 1 3 332.492 1.898 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1Cc2ccccc21 ZINC000663778476 452507874 /nfs/dbraw/zinc/50/78/74/452507874.db2.gz SQMBIADIQOFAGV-DOTOQJQBSA-N 1 3 332.492 1.898 20 0 EDADHO Cn1cc(-c2cc(CN3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349427 452525319 /nfs/dbraw/zinc/52/53/19/452525319.db2.gz OPUROMZGHBASHI-DHSIGJKJSA-N 1 3 345.447 1.793 20 0 EDADHO Cn1cc(-c2cc(CN3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349429 452526888 /nfs/dbraw/zinc/52/68/88/452526888.db2.gz OPUROMZGHBASHI-JOQOYGCGSA-N 1 3 345.447 1.793 20 0 EDADHO CSc1ccccc1NC(=O)CCN(C)CCN1CC[NH2+]CC1 ZINC000647835062 452570936 /nfs/dbraw/zinc/57/09/36/452570936.db2.gz KWAKUWMTSDULHL-UHFFFAOYSA-N 1 3 336.505 1.574 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000655921276 452684629 /nfs/dbraw/zinc/68/46/29/452684629.db2.gz NEIPATVCWVQPAG-KWCYVHTRSA-N 1 3 344.381 1.838 20 0 EDADHO Cc1ccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000666283963 452742459 /nfs/dbraw/zinc/74/24/59/452742459.db2.gz IWBYOKBMKAEQRF-UHFFFAOYSA-N 1 3 334.508 1.981 20 0 EDADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)C1 ZINC000658148940 452757305 /nfs/dbraw/zinc/75/73/05/452757305.db2.gz PPDQUFVQAXXDIZ-QRQLOZEOSA-N 1 3 340.508 1.787 20 0 EDADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CNCCC1(F)F ZINC000648176944 452889225 /nfs/dbraw/zinc/88/92/25/452889225.db2.gz UUTYAMRKGZIMJC-SNVBAGLBSA-N 1 3 330.404 1.793 20 0 EDADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891203 /nfs/dbraw/zinc/89/12/03/452891203.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 1 3 339.505 1.899 20 0 EDADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891213 /nfs/dbraw/zinc/89/12/13/452891213.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 1 3 339.505 1.899 20 0 EDADHO CCN(CC)CC(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261214 452989791 /nfs/dbraw/zinc/98/97/91/452989791.db2.gz GLMSIQNIXIEKSS-UHFFFAOYSA-N 1 3 344.503 1.318 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)C1 ZINC000646002969 452997999 /nfs/dbraw/zinc/99/79/99/452997999.db2.gz LRRQKGCHXKEMRG-ZWKOTPCHSA-N 1 3 336.524 1.523 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)C1 ZINC000646002969 452998007 /nfs/dbraw/zinc/99/80/07/452998007.db2.gz LRRQKGCHXKEMRG-ZWKOTPCHSA-N 1 3 336.524 1.523 20 0 EDADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000646003149 452999033 /nfs/dbraw/zinc/99/90/33/452999033.db2.gz ULJGMTXZIIOYKZ-MAUKXSAKSA-N 1 3 330.476 1.558 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000662337232 453053062 /nfs/dbraw/zinc/05/30/62/453053062.db2.gz KIPMMGFURXETOH-IRXDYDNUSA-N 1 3 347.507 1.958 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000662337232 453053069 /nfs/dbraw/zinc/05/30/69/453053069.db2.gz KIPMMGFURXETOH-IRXDYDNUSA-N 1 3 347.507 1.958 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000666785490 453146539 /nfs/dbraw/zinc/14/65/39/453146539.db2.gz BGIUHCIJPKUDNH-GDBMZVCRSA-N 1 3 332.448 1.973 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000662469287 453180265 /nfs/dbraw/zinc/18/02/65/453180265.db2.gz QGBATAGUTLUNLF-QGZVFWFLSA-N 1 3 337.439 1.783 20 0 EDADHO CC(C)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)N1CCN(C)CC1 ZINC000662479736 453193359 /nfs/dbraw/zinc/19/33/59/453193359.db2.gz LSAKULABBASOIT-SFHVURJKSA-N 1 3 330.476 1.292 20 0 EDADHO CN(CCC[NH3+])Cc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000656455362 453197470 /nfs/dbraw/zinc/19/74/70/453197470.db2.gz DYCVECSTPLZRPU-SFHVURJKSA-N 1 3 328.464 1.506 20 0 EDADHO C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000646189439 453203006 /nfs/dbraw/zinc/20/30/06/453203006.db2.gz IVKLKIWWTNXHQF-KSSFIOAISA-N 1 3 330.476 1.984 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2c(s1)CCNC2 ZINC000662535508 453258959 /nfs/dbraw/zinc/25/89/59/453258959.db2.gz GNYAXKGKEGPKMO-ZDUSSCGKSA-N 1 3 325.478 1.480 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000660403546 453277036 /nfs/dbraw/zinc/27/70/36/453277036.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 1 3 339.528 1.188 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000660403546 453277043 /nfs/dbraw/zinc/27/70/43/453277043.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 1 3 339.528 1.188 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653108491 453292360 /nfs/dbraw/zinc/29/23/60/453292360.db2.gz ZKRBDPJTIQFMHS-ICSRJNTNSA-N 1 3 343.471 1.265 20 0 EDADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662576431 453303216 /nfs/dbraw/zinc/30/32/16/453303216.db2.gz XQMPGZKZHXGFSZ-WMLDXEAASA-N 1 3 349.500 1.752 20 0 EDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653149105 453336656 /nfs/dbraw/zinc/33/66/56/453336656.db2.gz XDVVQEBTMBVKEI-MRXNPFEDSA-N 1 3 340.899 1.509 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000662630605 453347620 /nfs/dbraw/zinc/34/76/20/453347620.db2.gz GDWJFGAGMFCHKA-KRWDZBQOSA-N 1 3 334.508 1.712 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681105 453402494 /nfs/dbraw/zinc/40/24/94/453402494.db2.gz AUZAFAPFKVXSIS-NEPJUHHUSA-N 1 3 325.400 1.082 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662687623 453407675 /nfs/dbraw/zinc/40/76/75/453407675.db2.gz HPLJMKRJXWCEDO-RBSFLKMASA-N 1 3 349.479 1.106 20 0 EDADHO Cc1c(C(=O)N[C@H](C)CN2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000662695412 453416484 /nfs/dbraw/zinc/41/64/84/453416484.db2.gz ZXBCYPNPUDXUAO-CQSZACIVSA-N 1 3 348.495 1.361 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000662699386 453419343 /nfs/dbraw/zinc/41/93/43/453419343.db2.gz QDVMLOISKKZFLA-BPUTZDHNSA-N 1 3 337.489 1.440 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709517 453432476 /nfs/dbraw/zinc/43/24/76/453432476.db2.gz SLXRCDLAQUQZOL-IRXDYDNUSA-N 1 3 335.423 1.238 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662710568 453434084 /nfs/dbraw/zinc/43/40/84/453434084.db2.gz HKXPSRGMGVLSHH-XHSDSOJGSA-N 1 3 348.495 1.585 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000653261424 453445180 /nfs/dbraw/zinc/44/51/80/453445180.db2.gz RJFNPDGGEVUSTI-MQYQWHSLSA-N 1 3 331.407 1.119 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)C1 ZINC000656788830 453446674 /nfs/dbraw/zinc/44/66/74/453446674.db2.gz HGRJMSPQTOHREQ-BMGDILEWSA-N 1 3 348.466 1.058 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000662738047 453462118 /nfs/dbraw/zinc/46/21/18/453462118.db2.gz DEIWIOCBCOFPQS-MRXNPFEDSA-N 1 3 344.459 1.673 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@H]1CCCN(C)C1 ZINC000662738046 453463257 /nfs/dbraw/zinc/46/32/57/453463257.db2.gz DEIWIOCBCOFPQS-INIZCTEOSA-N 1 3 344.459 1.673 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746619 453476171 /nfs/dbraw/zinc/47/61/71/453476171.db2.gz VFMSJUJSFUNOGE-INMHGKMJSA-N 1 3 348.495 1.395 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660701404 453525530 /nfs/dbraw/zinc/52/55/30/453525530.db2.gz SCRZDOFSSVJDKX-IAGOWNOFSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000658981579 453562220 /nfs/dbraw/zinc/56/22/20/453562220.db2.gz RGYVXIMKYJRFJV-HNNXBMFYSA-N 1 3 333.480 1.866 20 0 EDADHO NC1(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000662846731 453567913 /nfs/dbraw/zinc/56/79/13/453567913.db2.gz UIIQVYCWIIKWGA-SFHVURJKSA-N 1 3 327.472 1.721 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973263 453631545 /nfs/dbraw/zinc/63/15/45/453631545.db2.gz XNELQNYXSHLFBL-VQIMIIECSA-N 1 3 337.508 1.757 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660885793 453632100 /nfs/dbraw/zinc/63/21/00/453632100.db2.gz ARJYHIRJBXEOTD-KBRIMQKVSA-N 1 3 336.480 1.022 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660885793 453632105 /nfs/dbraw/zinc/63/21/05/453632105.db2.gz ARJYHIRJBXEOTD-KBRIMQKVSA-N 1 3 336.480 1.022 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665363979 453668573 /nfs/dbraw/zinc/66/85/73/453668573.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 1 3 340.512 1.347 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665363979 453668576 /nfs/dbraw/zinc/66/85/76/453668576.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000665640004 453778669 /nfs/dbraw/zinc/77/86/69/453778669.db2.gz LJTCPWBRRDRCLK-LSDHHAIUSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000665640004 453778673 /nfs/dbraw/zinc/77/86/73/453778673.db2.gz LJTCPWBRRDRCLK-LSDHHAIUSA-N 1 3 328.501 1.467 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2nc3c(s2)CCC3)CC1 ZINC000663503968 453811442 /nfs/dbraw/zinc/81/14/42/453811442.db2.gz OFQFRTWDDRUMCO-UHFFFAOYSA-N 1 3 336.505 1.712 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000683420263 486714360 /nfs/dbraw/zinc/71/43/60/486714360.db2.gz CYRNAELYJQXCED-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000683420263 486714365 /nfs/dbraw/zinc/71/43/65/486714365.db2.gz CYRNAELYJQXCED-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000683560160 486756029 /nfs/dbraw/zinc/75/60/29/486756029.db2.gz NXXLLXWNYSABRC-UHFFFAOYSA-N 1 3 343.475 1.788 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417370815 486797531 /nfs/dbraw/zinc/79/75/31/486797531.db2.gz UMIIVPIJUNWING-HOTGVXAUSA-N 1 3 334.464 1.696 20 0 EDADHO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC[C@H]1[NH3+] ZINC000667548521 486839263 /nfs/dbraw/zinc/83/92/63/486839263.db2.gz OUOOVNDPASWFBA-RHSMWYFYSA-N 1 3 346.475 1.581 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804629 486973478 /nfs/dbraw/zinc/97/34/78/486973478.db2.gz JHBFMODGQZBUQR-MRXNPFEDSA-N 1 3 331.464 1.969 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnc2c(c1)CNCC2 ZINC000667804629 486973482 /nfs/dbraw/zinc/97/34/82/486973482.db2.gz JHBFMODGQZBUQR-MRXNPFEDSA-N 1 3 331.464 1.969 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000673809815 487119230 /nfs/dbraw/zinc/11/92/30/487119230.db2.gz LIZKQSXCDZNXHK-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](CCCN3CCCC3=O)CC2)CC1 ZINC000677738244 487161880 /nfs/dbraw/zinc/16/18/80/487161880.db2.gz GYEJGQCDNHXYFZ-UHFFFAOYSA-N 1 3 336.524 1.489 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000672900346 485492272 /nfs/dbraw/zinc/49/22/72/485492272.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000672900346 485492277 /nfs/dbraw/zinc/49/22/77/485492277.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561110 485568706 /nfs/dbraw/zinc/56/87/06/485568706.db2.gz JPUQDRHWAUANON-JOCBIADPSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561090 485569345 /nfs/dbraw/zinc/56/93/45/485569345.db2.gz FYXVOBNSWSRUDW-LAQRGFTBSA-N 1 3 346.475 1.265 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CCO1 ZINC000669583555 485631949 /nfs/dbraw/zinc/63/19/49/485631949.db2.gz WJMBZSKIRGCVSX-NXNVCVFFSA-N 1 3 334.464 1.435 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000675196162 486059552 /nfs/dbraw/zinc/05/95/52/486059552.db2.gz ZMHPPHGJXJYPTG-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420086 486138955 /nfs/dbraw/zinc/13/89/55/486138955.db2.gz AAMSUHSHWWNIOK-GBESFXJTSA-N 1 3 342.487 1.759 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000669443181 486199495 /nfs/dbraw/zinc/19/94/95/486199495.db2.gz JUSCRFINCFLKCZ-SFHVURJKSA-N 1 3 330.476 1.905 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000669473269 486227162 /nfs/dbraw/zinc/22/71/62/486227162.db2.gz ILLRBCZBNXWMDZ-SJORKVTESA-N 1 3 338.496 1.271 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NCC1CC[NH2+]CC1 ZINC000669483049 486248454 /nfs/dbraw/zinc/24/84/54/486248454.db2.gz FTIKUIVGRZAPHN-GOSISDBHSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000669496382 486270789 /nfs/dbraw/zinc/27/07/89/486270789.db2.gz HYSVMQJTYHPLLV-OAHLLOKOSA-N 1 3 344.503 1.854 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602320 486645302 /nfs/dbraw/zinc/64/53/02/486645302.db2.gz LEVOBMUKQAHFRZ-ZBFHGGJFSA-N 1 3 341.377 1.919 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000080700675 491173672 /nfs/dbraw/zinc/17/36/72/491173672.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 1 3 334.508 1.844 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000080700675 491173675 /nfs/dbraw/zinc/17/36/75/491173675.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 1 3 334.508 1.844 20 0 EDADHO CN(CCCC[NH+](C)C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000081787501 491181050 /nfs/dbraw/zinc/18/10/50/491181050.db2.gz DMOHSEFLSNIUHC-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000112921661 517655112 /nfs/dbraw/zinc/65/51/12/517655112.db2.gz VOACYNOCMJCGNR-KRWDZBQOSA-N 1 3 346.519 1.752 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)c2[nH]nc3c2CNCC3)[NH+](C)C)cc1 ZINC000188693410 524029246 /nfs/dbraw/zinc/02/92/46/524029246.db2.gz FENGEMNFPKPRMI-QGZVFWFLSA-N 1 3 341.459 1.651 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCC[NH2+]C2CCCCCC2)C1(C)C ZINC000187181222 527978963 /nfs/dbraw/zinc/97/89/63/527978963.db2.gz WJGNEGIIESKCAE-QAPCUYQASA-N 1 3 325.497 1.948 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894855 535594429 /nfs/dbraw/zinc/59/44/29/535594429.db2.gz YMRKSCUKFASFQN-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894855 535594432 /nfs/dbraw/zinc/59/44/32/535594432.db2.gz YMRKSCUKFASFQN-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000261772199 535913992 /nfs/dbraw/zinc/91/39/92/535913992.db2.gz RBJNRFVGXKCXIK-UHFFFAOYSA-N 1 3 334.445 1.837 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C(C)(C)C)n[nH]3)CC2)CC1 ZINC000124359717 536340258 /nfs/dbraw/zinc/34/02/58/536340258.db2.gz QINCBJLWSWAYLD-UHFFFAOYSA-N 1 3 347.507 1.996 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388198 /nfs/dbraw/zinc/38/81/98/579388198.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 1 3 339.505 1.681 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388200 /nfs/dbraw/zinc/38/82/00/579388200.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 1 3 339.505 1.681 20 0 EDADHO Cc1cccc2c1OCC[C@@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741084278 579396838 /nfs/dbraw/zinc/39/68/38/579396838.db2.gz FJHRLEZLJIBVOC-KRWDZBQOSA-N 1 3 348.491 1.953 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000729606750 578584521 /nfs/dbraw/zinc/58/45/21/578584521.db2.gz PZNQCFTUTNNKOJ-IAGOWNOFSA-N 1 3 338.496 1.271 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734277540 578804730 /nfs/dbraw/zinc/80/47/30/578804730.db2.gz XAKWKKXBEMPPOD-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734277540 578804732 /nfs/dbraw/zinc/80/47/32/578804732.db2.gz XAKWKKXBEMPPOD-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO CN1CCCN(CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759157961 579999842 /nfs/dbraw/zinc/99/98/42/579999842.db2.gz REXGYEDCCPNGCH-UHFFFAOYSA-N 1 3 342.528 1.907 20 0 EDADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762789445 580083384 /nfs/dbraw/zinc/08/33/84/580083384.db2.gz VOVONMZNWBHRQA-NHYWBVRUSA-N 1 3 326.828 1.108 20 0 EDADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762789445 580083385 /nfs/dbraw/zinc/08/33/85/580083385.db2.gz VOVONMZNWBHRQA-NHYWBVRUSA-N 1 3 326.828 1.108 20 0 EDADHO CN(C)c1ccc(N2CCC([NH2+]CC3(O)CCN(C)CC3)CC2)cc1 ZINC000766123470 580159702 /nfs/dbraw/zinc/15/97/02/580159702.db2.gz PCXDHMVOWZECTP-UHFFFAOYSA-N 1 3 346.519 1.768 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1CO ZINC000779764510 580496583 /nfs/dbraw/zinc/49/65/83/580496583.db2.gz QFRNMRSMQYSEEI-IBGZPJMESA-N 1 3 347.503 1.596 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccccc1CO ZINC000779764510 580496584 /nfs/dbraw/zinc/49/65/84/580496584.db2.gz QFRNMRSMQYSEEI-IBGZPJMESA-N 1 3 347.503 1.596 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067926 580510864 /nfs/dbraw/zinc/51/08/64/580510864.db2.gz CJWGJBRAFOAYGZ-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067926 580510865 /nfs/dbraw/zinc/51/08/65/580510865.db2.gz CJWGJBRAFOAYGZ-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000783920776 580608414 /nfs/dbraw/zinc/60/84/14/580608414.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000783920776 580608415 /nfs/dbraw/zinc/60/84/15/580608415.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 1 3 330.476 1.894 20 0 EDADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794532722 580896620 /nfs/dbraw/zinc/89/66/20/580896620.db2.gz HYYYKACOGRKETO-LSDHHAIUSA-N 1 3 329.485 1.678 20 0 EDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794532722 580896621 /nfs/dbraw/zinc/89/66/21/580896621.db2.gz HYYYKACOGRKETO-LSDHHAIUSA-N 1 3 329.485 1.678 20 0 EDADHO COCC[NH+](CCOC)C1CCN(CC2(O)CCCCC2)CC1 ZINC000796515737 580955536 /nfs/dbraw/zinc/95/55/36/580955536.db2.gz MCQLWRWBWQMUPL-UHFFFAOYSA-N 1 3 328.497 1.741 20 0 EDADHO Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000891833021 590644137 /nfs/dbraw/zinc/64/41/37/590644137.db2.gz GGCRVXCJCXITQB-UHFFFAOYSA-N 1 3 349.523 1.971 20 0 EDADHO COCCC1(NC(=O)NC[C@H]2CCCCN2C2CC2)CC[NH2+]CC1 ZINC000891857449 590658053 /nfs/dbraw/zinc/65/80/53/590658053.db2.gz BTZNMUBRLAVAFV-MRXNPFEDSA-N 1 3 338.496 1.461 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000892055182 590775106 /nfs/dbraw/zinc/77/51/06/590775106.db2.gz ZTLCWWGVVZHPEI-UHFFFAOYSA-N 1 3 340.512 1.376 20 0 EDADHO [NH3+][C@@H](CCNC(=O)N[C@@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000892157635 590829400 /nfs/dbraw/zinc/82/94/00/590829400.db2.gz UDIDWIKRACVMBQ-UONOGXRCSA-N 1 3 326.391 1.243 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccncc1 ZINC000892188730 590855508 /nfs/dbraw/zinc/85/55/08/590855508.db2.gz SCOIQNJCDREGGZ-WCXIOVBPSA-N 1 3 343.475 1.690 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000892241346 590883130 /nfs/dbraw/zinc/88/31/30/590883130.db2.gz QCTGKHNMUPGURY-CALCHBBNSA-N 1 3 331.464 1.330 20 0 EDADHO CN1CC[C@@]2(CCN(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407699 591015133 /nfs/dbraw/zinc/01/51/33/591015133.db2.gz CRAHPMMEGCRDEY-PKOBYXMFSA-N 1 3 330.476 1.684 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000892479721 591041504 /nfs/dbraw/zinc/04/15/04/591041504.db2.gz LQFYPITYOQQSDJ-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000892479721 591041505 /nfs/dbraw/zinc/04/15/05/591041505.db2.gz LQFYPITYOQQSDJ-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891356790 591057643 /nfs/dbraw/zinc/05/76/43/591057643.db2.gz RHXIPFJDBYGYCH-UHFFFAOYSA-N 1 3 339.528 1.365 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529861 591059862 /nfs/dbraw/zinc/05/98/62/591059862.db2.gz DAVAZONAIBYFEK-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000892530691 591060695 /nfs/dbraw/zinc/06/06/95/591060695.db2.gz VDIFFQJZEJHQKC-IEBWSBKVSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530168 591060992 /nfs/dbraw/zinc/06/09/92/591060992.db2.gz JWLMHTBNLAPNIY-QGZVFWFLSA-N 1 3 346.475 1.376 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)NC3CCC(C)([NH+](C)C)CC3)C[C@H]2N)cn1 ZINC000892533612 591062443 /nfs/dbraw/zinc/06/24/43/591062443.db2.gz YLTXFAFFLNTVHD-BNQMIIOLSA-N 1 3 348.495 1.119 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000891518381 591104859 /nfs/dbraw/zinc/10/48/59/591104859.db2.gz PWWLOXBXHHEQIH-WMLDXEAASA-N 1 3 346.475 1.274 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540183 591117195 /nfs/dbraw/zinc/11/71/95/591117195.db2.gz MEEGQRCWGFNOBZ-YNEHKIRRSA-N 1 3 336.402 1.639 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642846 591164360 /nfs/dbraw/zinc/16/43/60/591164360.db2.gz AALSZADIGDBCBT-DDBAPUKQSA-N 1 3 330.476 1.934 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892804298 591183607 /nfs/dbraw/zinc/18/36/07/591183607.db2.gz SFLPBPUDQRHZCN-QYZOEREBSA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892804298 591183609 /nfs/dbraw/zinc/18/36/09/591183609.db2.gz SFLPBPUDQRHZCN-QYZOEREBSA-N 1 3 342.487 1.827 20 0 EDADHO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(N)ccn2)[C@@H]1c1ccccc1 ZINC000891723676 591198947 /nfs/dbraw/zinc/19/89/47/591198947.db2.gz SWENUASXCDQUNJ-SJORKVTESA-N 1 3 325.416 1.908 20 0 EDADHO C[N@H+]1CC[C@@H](NC(=O)NCc2cc(N)ccn2)[C@@H]1c1ccccc1 ZINC000891723676 591198950 /nfs/dbraw/zinc/19/89/50/591198950.db2.gz SWENUASXCDQUNJ-SJORKVTESA-N 1 3 325.416 1.908 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000892883373 591215855 /nfs/dbraw/zinc/21/58/55/591215855.db2.gz BWBOWISZZQQCJA-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000892883373 591215857 /nfs/dbraw/zinc/21/58/57/591215857.db2.gz BWBOWISZZQQCJA-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO CCC(CC)[NH2+]CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000895851396 591287921 /nfs/dbraw/zinc/28/79/21/591287921.db2.gz OSRSCCGBOXBBLC-INIZCTEOSA-N 1 3 326.485 1.317 20 0 EDADHO COC(=O)[C@H]1[C@@H](C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083902 591574750 /nfs/dbraw/zinc/57/47/50/591574750.db2.gz CJVYBYBWNPQBCK-QKPAOTATSA-N 1 3 338.398 1.976 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C1CN(C2CCOCC2)C1)CC(C)C ZINC000896891290 591655151 /nfs/dbraw/zinc/65/51/51/591655151.db2.gz CWRQVENBNRWDNV-SFHVURJKSA-N 1 3 339.524 1.970 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccco1 ZINC000899080521 591670057 /nfs/dbraw/zinc/67/00/57/591670057.db2.gz VWDBNURCDDHPHD-HOCLYGCPSA-N 1 3 337.464 1.936 20 0 EDADHO C[C@H](CC[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)N(C)C ZINC000895429249 591753835 /nfs/dbraw/zinc/75/38/35/591753835.db2.gz LTTANAYZQCDXCO-OAHLLOKOSA-N 1 3 342.528 1.905 20 0 EDADHO Cn1cc([C@@]2(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052680 591755778 /nfs/dbraw/zinc/75/57/78/591755778.db2.gz KDUVTZBEGRCWMD-OALUTQOASA-N 1 3 348.491 1.659 20 0 EDADHO CN(C)CCn1nccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000899976840 591854108 /nfs/dbraw/zinc/85/41/08/591854108.db2.gz GQVQFRZPEDVMNV-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000898355887 591887235 /nfs/dbraw/zinc/88/72/35/591887235.db2.gz FEDWIHYFWOKCOI-DZGCQCFKSA-N 1 3 327.469 1.288 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900219599 591946985 /nfs/dbraw/zinc/94/69/85/591946985.db2.gz ZNYZACLSLMFSKW-JFIYKMOQSA-N 1 3 325.497 1.317 20 0 EDADHO CC1(C)CNCC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000902331463 591979837 /nfs/dbraw/zinc/97/98/37/591979837.db2.gz AQEOMAPMRYNHLG-CQSZACIVSA-N 1 3 336.480 1.609 20 0 EDADHO c1cc(NCCCCC[NH+]2CCNCC2)nc(N2CCCCC2)n1 ZINC000900358264 591994278 /nfs/dbraw/zinc/99/42/78/591994278.db2.gz OLMKHHJXNAQJQW-UHFFFAOYSA-N 1 3 332.496 1.954 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825753 592139058 /nfs/dbraw/zinc/13/90/58/592139058.db2.gz BRVWNOLLNTZGPT-QGZVFWFLSA-N 1 3 340.556 1.885 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900972 592165093 /nfs/dbraw/zinc/16/50/93/592165093.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900972 592165095 /nfs/dbraw/zinc/16/50/95/592165095.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC(F)(F)CCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903459400 592171670 /nfs/dbraw/zinc/17/16/70/592171670.db2.gz IGIJYXKVYHBOOW-ZIAGYGMSSA-N 1 3 330.423 1.642 20 0 EDADHO COc1ccc(CN2CCCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cc1 ZINC000903457431 592174095 /nfs/dbraw/zinc/17/40/95/592174095.db2.gz SFQHKNBUGZFNFD-SJORKVTESA-N 1 3 331.460 1.857 20 0 EDADHO C[C@@H]1CN(CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903498901 592178927 /nfs/dbraw/zinc/17/89/27/592178927.db2.gz NTIAHHXRMKLALW-NVXWUHKLSA-N 1 3 339.505 1.365 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958502 592185297 /nfs/dbraw/zinc/18/52/97/592185297.db2.gz JMRYSIWRWURZFD-ROUUACIJSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H]1CN(CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1CC[NH3+] ZINC000903496640 592187539 /nfs/dbraw/zinc/18/75/39/592187539.db2.gz WNGAGTSNQPDYRJ-NVXWUHKLSA-N 1 3 341.459 1.405 20 0 EDADHO NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903509558 592189820 /nfs/dbraw/zinc/18/98/20/592189820.db2.gz JCFHHVIQJSATCY-HDICACEKSA-N 1 3 328.460 1.186 20 0 EDADHO NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903509558 592189821 /nfs/dbraw/zinc/18/98/21/592189821.db2.gz JCFHHVIQJSATCY-HDICACEKSA-N 1 3 328.460 1.186 20 0 EDADHO NC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903509558 592189823 /nfs/dbraw/zinc/18/98/23/592189823.db2.gz JCFHHVIQJSATCY-HDICACEKSA-N 1 3 328.460 1.186 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)cc1 ZINC000903564530 592211547 /nfs/dbraw/zinc/21/15/47/592211547.db2.gz YTHHMANBPFTGCO-DNVCBOLYSA-N 1 3 347.459 1.948 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000904335740 592233431 /nfs/dbraw/zinc/23/34/31/592233431.db2.gz AYXZXIZVHJHFQG-BETUJISGSA-N 1 3 333.461 1.653 20 0 EDADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371476 592240123 /nfs/dbraw/zinc/24/01/23/592240123.db2.gz OBYMOJYCUYORES-KRWDZBQOSA-N 1 3 327.432 1.899 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371476 592240126 /nfs/dbraw/zinc/24/01/26/592240126.db2.gz OBYMOJYCUYORES-KRWDZBQOSA-N 1 3 327.432 1.899 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371476 592240128 /nfs/dbraw/zinc/24/01/28/592240128.db2.gz OBYMOJYCUYORES-KRWDZBQOSA-N 1 3 327.432 1.899 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCN1C ZINC000906663055 592245321 /nfs/dbraw/zinc/24/53/21/592245321.db2.gz CMLUICFJCMLMHK-BBRMVZONSA-N 1 3 346.475 1.760 20 0 EDADHO [NH3+]CCN1CCC(N[C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000904382002 592247123 /nfs/dbraw/zinc/24/71/23/592247123.db2.gz ZZRVQLIKRJARCS-INIZCTEOSA-N 1 3 329.847 1.915 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906671890 592253888 /nfs/dbraw/zinc/25/38/88/592253888.db2.gz SWPJNUTVRBWMGE-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC3(C)C)c2)CC1 ZINC000904421662 592259213 /nfs/dbraw/zinc/25/92/13/592259213.db2.gz NBOXNUYWJHIKHN-QGZVFWFLSA-N 1 3 345.491 1.948 20 0 EDADHO C[C@@H]1CCCN(C(=O)Nc2ccnn2CCN(C)C)[C@@H]1CCC[NH3+] ZINC000904484372 592270720 /nfs/dbraw/zinc/27/07/20/592270720.db2.gz GKAAUJDZRDTKPT-HUUCEWRRSA-N 1 3 336.484 1.816 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904505005 592273867 /nfs/dbraw/zinc/27/38/67/592273867.db2.gz VRRXOTNHCOFSCN-MSOLQXFVSA-N 1 3 344.459 1.395 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904515195 592276097 /nfs/dbraw/zinc/27/60/97/592276097.db2.gz IYASBLILSHWUGJ-IRXDYDNUSA-N 1 3 332.448 1.469 20 0 EDADHO Fc1cccc([C@@H]2CNCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747753 592294466 /nfs/dbraw/zinc/29/44/66/592294466.db2.gz WOIACJRKKFHPSR-MSOLQXFVSA-N 1 3 333.451 1.931 20 0 EDADHO CC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903739912 592302032 /nfs/dbraw/zinc/30/20/32/592302032.db2.gz QJIXXGSSLYBOCS-IRXDYDNUSA-N 1 3 325.497 1.188 20 0 EDADHO COC(=O)CC1(NCc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000903898395 592369295 /nfs/dbraw/zinc/36/92/95/592369295.db2.gz LABTWFIAFNPFCH-AWEZNQCLSA-N 1 3 335.452 1.558 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNC[C@H]1NCCc2ccccc21 ZINC000903918604 592376353 /nfs/dbraw/zinc/37/63/53/592376353.db2.gz COMYHSYKQSMECF-MAUKXSAKSA-N 1 3 326.448 1.179 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199539 592377431 /nfs/dbraw/zinc/37/74/31/592377431.db2.gz GIIFNJYKGSPXSC-DLBZAZTESA-N 1 3 342.443 1.572 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908199539 592377436 /nfs/dbraw/zinc/37/74/36/592377436.db2.gz GIIFNJYKGSPXSC-DLBZAZTESA-N 1 3 342.443 1.572 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1CCN(c2ccccc2)C1 ZINC000903923407 592378169 /nfs/dbraw/zinc/37/81/69/592378169.db2.gz SVSHAVZWTRARKW-WBVHZDCISA-N 1 3 326.448 1.571 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNC[C@H]1CCN(c2ccccc2)C1 ZINC000903923453 592378309 /nfs/dbraw/zinc/37/83/09/592378309.db2.gz URLUABZGOUXQKX-SJLPKXTDSA-N 1 3 340.475 1.819 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H](N)CC(F)F)n1 ZINC000903928488 592382031 /nfs/dbraw/zinc/38/20/31/592382031.db2.gz ZJTLIPTTZQZFAF-TUAOUCFPSA-N 1 3 346.401 1.032 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC[C@H]([NH3+])CC(F)F)n1 ZINC000903928488 592382035 /nfs/dbraw/zinc/38/20/35/592382035.db2.gz ZJTLIPTTZQZFAF-TUAOUCFPSA-N 1 3 346.401 1.032 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cnn1C ZINC000903929230 592382478 /nfs/dbraw/zinc/38/24/78/592382478.db2.gz CKTVRSQQCIRRKA-AEFFLSMTSA-N 1 3 347.507 1.323 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cnn1C ZINC000903929230 592382481 /nfs/dbraw/zinc/38/24/81/592382481.db2.gz CKTVRSQQCIRRKA-AEFFLSMTSA-N 1 3 347.507 1.323 20 0 EDADHO COCCO[C@H]1C[C@@H](CO)CN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915752 592389434 /nfs/dbraw/zinc/38/94/34/592389434.db2.gz PVVVTVPISHNZSI-QAPCUYQASA-N 1 3 334.460 1.178 20 0 EDADHO CN(CCCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1)Cc1ccncc1 ZINC000908236363 592398143 /nfs/dbraw/zinc/39/81/43/592398143.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 1 3 348.491 1.209 20 0 EDADHO CN(CCCN(C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cc1ccncc1 ZINC000908236363 592398148 /nfs/dbraw/zinc/39/81/48/592398148.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 1 3 348.491 1.209 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110927 592412080 /nfs/dbraw/zinc/41/20/80/592412080.db2.gz SQBHMXTXYUIOQG-FUHWJXTLSA-N 1 3 339.524 1.048 20 0 EDADHO CSC1(CNC(=O)c2ccnn2CCN(C)C)CC[NH+](C)CC1 ZINC000908285413 592424970 /nfs/dbraw/zinc/42/49/70/592424970.db2.gz JMEOUIDCOXJLCD-UHFFFAOYSA-N 1 3 339.509 1.002 20 0 EDADHO C[C@]1(CNC[C@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243989 592474661 /nfs/dbraw/zinc/47/46/61/592474661.db2.gz NYPWUBKCHDTZCX-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243989 592474664 /nfs/dbraw/zinc/47/46/64/592474664.db2.gz NYPWUBKCHDTZCX-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CNCC[C@@H]1c1ccccc1 ZINC000905345699 592501418 /nfs/dbraw/zinc/50/14/18/592501418.db2.gz LMSPBKVQWZTRIT-IAGOWNOFSA-N 1 3 337.489 1.051 20 0 EDADHO C[NH+]1CCC2(CCC(NC(=O)C3CN(C4CCOCC4)C3)CC2)CC1 ZINC000908491582 592508435 /nfs/dbraw/zinc/50/84/35/592508435.db2.gz WRARKCJKVFHEIX-UHFFFAOYSA-N 1 3 349.519 1.868 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C(C)(C)N1CCCCC1 ZINC000907090033 592516062 /nfs/dbraw/zinc/51/60/62/592516062.db2.gz HOQRCPVFCOSGKP-ZACQAIPSSA-N 1 3 337.508 1.961 20 0 EDADHO C[NH+]1CCC2(CCC(NC(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000908489567 592516231 /nfs/dbraw/zinc/51/62/31/592516231.db2.gz GFSOEVSEPFXSRD-SJORKVTESA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000908597017 592548469 /nfs/dbraw/zinc/54/84/69/592548469.db2.gz DYHMLGMMAZBYBC-INIZCTEOSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906450460 592824456 /nfs/dbraw/zinc/82/44/56/592824456.db2.gz DGXFTNMWZRZMJH-NUJGCVRESA-N 1 3 336.524 1.344 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1N(C)C ZINC000906658323 592865261 /nfs/dbraw/zinc/86/52/61/592865261.db2.gz XQXHRXHNRGAFII-WFASDCNBSA-N 1 3 332.448 1.227 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000910859944 592897457 /nfs/dbraw/zinc/89/74/57/592897457.db2.gz GZTOZWOYEMUPCT-IRXDYDNUSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000910859944 592897458 /nfs/dbraw/zinc/89/74/58/592897458.db2.gz GZTOZWOYEMUPCT-IRXDYDNUSA-N 1 3 339.524 1.801 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC000911633608 592971009 /nfs/dbraw/zinc/97/10/09/592971009.db2.gz SKUOHWKKXZOEGM-XMTFNYHQSA-N 1 3 331.460 1.705 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1 ZINC000911761917 593006690 /nfs/dbraw/zinc/00/66/90/593006690.db2.gz VBCVWUHZEZQQIB-GXFFZTMASA-N 1 3 343.393 1.950 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911820130 593016684 /nfs/dbraw/zinc/01/66/84/593016684.db2.gz CHXCXIIAYPKCSO-NTZNESFSSA-N 1 3 343.393 1.950 20 0 EDADHO C[C@@]1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380473 593089422 /nfs/dbraw/zinc/08/94/22/593089422.db2.gz UAGRKYCXZHKTPS-YLJYHZDGSA-N 1 3 342.487 1.894 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000808156146 593229953 /nfs/dbraw/zinc/22/99/53/593229953.db2.gz BCEZKOOFBNCTAS-RBUKOAKNSA-N 1 3 345.487 1.810 20 0 EDADHO Cc1ccc(N2CC[C@@H](N(C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781471 593287506 /nfs/dbraw/zinc/28/75/06/593287506.db2.gz HWYQFJYPISHQOJ-LJQANCHMSA-N 1 3 346.519 1.916 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc(F)c(Cl)c1 ZINC000824825956 594080752 /nfs/dbraw/zinc/08/07/52/594080752.db2.gz FOMDIDZZGFUZAM-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc(F)c(Cl)c1 ZINC000824825956 594080754 /nfs/dbraw/zinc/08/07/54/594080754.db2.gz FOMDIDZZGFUZAM-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO COCCN1CC[C@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956267 594537293 /nfs/dbraw/zinc/53/72/93/594537293.db2.gz LFDBPAIRTLJMNQ-UONOGXRCSA-N 1 3 340.855 1.270 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000827019469 594624969 /nfs/dbraw/zinc/62/49/69/594624969.db2.gz TWMIAKDZQNGLFQ-AWEZNQCLSA-N 1 3 342.871 1.518 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000827019469 594624971 /nfs/dbraw/zinc/62/49/71/594624971.db2.gz TWMIAKDZQNGLFQ-AWEZNQCLSA-N 1 3 342.871 1.518 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662683 /nfs/dbraw/zinc/66/26/83/594662683.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662684 /nfs/dbraw/zinc/66/26/84/594662684.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 1 3 342.487 1.846 20 0 EDADHO Cc1ccc(N2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841003077 594837653 /nfs/dbraw/zinc/83/76/53/594837653.db2.gz MHSWFRSAUDTERM-GOSISDBHSA-N 1 3 344.503 1.704 20 0 EDADHO Cc1ccc(N2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841003077 594837655 /nfs/dbraw/zinc/83/76/55/594837655.db2.gz MHSWFRSAUDTERM-GOSISDBHSA-N 1 3 344.503 1.704 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000841017583 594839893 /nfs/dbraw/zinc/83/98/93/594839893.db2.gz GBJUXCTVCOOJRV-QGZVFWFLSA-N 1 3 331.464 1.687 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000841310355 594883770 /nfs/dbraw/zinc/88/37/70/594883770.db2.gz NXCXRERCIIZBIA-SJORKVTESA-N 1 3 332.448 1.781 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841791463 594953987 /nfs/dbraw/zinc/95/39/87/594953987.db2.gz XJRWMCDHQMJJRY-BRWVUGGUSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1CNCc2ccccc21 ZINC000843459878 595118387 /nfs/dbraw/zinc/11/83/87/595118387.db2.gz RUQGTANMCPIHRZ-QGZVFWFLSA-N 1 3 325.416 1.633 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](C)C1 ZINC000843800806 595189887 /nfs/dbraw/zinc/18/98/87/595189887.db2.gz WRIPXUPYIYVSCV-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@@H](C)C1 ZINC000843800806 595189888 /nfs/dbraw/zinc/18/98/88/595189888.db2.gz WRIPXUPYIYVSCV-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO O[C@H](C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000843061264 595277069 /nfs/dbraw/zinc/27/70/69/595277069.db2.gz DJLGUILQKJZRBY-CABCVRRESA-N 1 3 332.366 1.785 20 0 EDADHO CCNCC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000844181818 595294491 /nfs/dbraw/zinc/29/44/91/595294491.db2.gz YOPCYOSAVSBCTQ-UHFFFAOYSA-N 1 3 349.475 1.402 20 0 EDADHO CCNCC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000844181818 595294492 /nfs/dbraw/zinc/29/44/92/595294492.db2.gz YOPCYOSAVSBCTQ-UHFFFAOYSA-N 1 3 349.475 1.402 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(OC)OC)CC2)CC1 ZINC000848384384 595371517 /nfs/dbraw/zinc/37/15/17/595371517.db2.gz KMVBURVAHBINIE-AWEZNQCLSA-N 1 3 341.496 1.306 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848595361 595413399 /nfs/dbraw/zinc/41/33/99/595413399.db2.gz LOJSQSDHGVWERR-AWEZNQCLSA-N 1 3 346.397 1.692 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717440 595435537 /nfs/dbraw/zinc/43/55/37/595435537.db2.gz BVFQTFIDVYWLNL-MWLCHTKSSA-N 1 3 329.388 1.160 20 0 EDADHO Cc1nccn1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849073837 595478361 /nfs/dbraw/zinc/47/83/61/595478361.db2.gz HQWLSLKKNBXHJH-UHFFFAOYSA-N 1 3 340.475 1.970 20 0 EDADHO [NH2+]=C(NCC(F)(F)CO)NC1CCN(Cc2ccccc2)CC1 ZINC000849087759 595479758 /nfs/dbraw/zinc/47/97/58/595479758.db2.gz NFZDCILCPOFQMN-UHFFFAOYSA-N 1 3 326.391 1.393 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC2CCN(C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849489035 595549416 /nfs/dbraw/zinc/54/94/16/595549416.db2.gz QPTYNXLJVMQPDK-ROUUACIJSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC2CCN(C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849489035 595549419 /nfs/dbraw/zinc/54/94/19/595549419.db2.gz QPTYNXLJVMQPDK-ROUUACIJSA-N 1 3 347.507 1.444 20 0 EDADHO CC[N@H+](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556523 /nfs/dbraw/zinc/55/65/23/595556523.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 1 3 333.480 1.056 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556527 /nfs/dbraw/zinc/55/65/27/595556527.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 1 3 333.480 1.056 20 0 EDADHO NC[C@@H]1CC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852862911 595583830 /nfs/dbraw/zinc/58/38/30/595583830.db2.gz MWPICBIWFMMJSR-INIZCTEOSA-N 1 3 330.432 1.118 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@@H+]1Cc1ccccc1 ZINC000852865757 595586024 /nfs/dbraw/zinc/58/60/24/595586024.db2.gz OCSXWCQVGPCFJB-VNQPRFMTSA-N 1 3 330.432 1.259 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@H+]1Cc1ccccc1 ZINC000852865757 595586028 /nfs/dbraw/zinc/58/60/28/595586028.db2.gz OCSXWCQVGPCFJB-VNQPRFMTSA-N 1 3 330.432 1.259 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCCC[N@H+](C)C2CC2)cn1 ZINC000849600229 595588990 /nfs/dbraw/zinc/58/89/90/595588990.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCCCC[N@@H+](C)C2CC2)cn1 ZINC000849600229 595588992 /nfs/dbraw/zinc/58/89/92/595588992.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852871953 595591211 /nfs/dbraw/zinc/59/12/11/595591211.db2.gz FZAFAXQOMWJTCN-IAGOWNOFSA-N 1 3 344.459 1.461 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852871953 595591213 /nfs/dbraw/zinc/59/12/13/595591213.db2.gz FZAFAXQOMWJTCN-IAGOWNOFSA-N 1 3 344.459 1.461 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873200 595592449 /nfs/dbraw/zinc/59/24/49/595592449.db2.gz QNRYFOWRFUKQGJ-DLBZAZTESA-N 1 3 332.448 1.131 20 0 EDADHO NC[C@@H]1CC(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)=NO1 ZINC000852895483 595603878 /nfs/dbraw/zinc/60/38/78/595603878.db2.gz CPPOOISFQNALNS-AWEZNQCLSA-N 1 3 348.472 1.917 20 0 EDADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@H](O)c2ccccn2)c1 ZINC000853097651 595663334 /nfs/dbraw/zinc/66/33/34/595663334.db2.gz GSNLCKJKCNUNID-SFHVURJKSA-N 1 3 342.443 1.196 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnc2ccccc2n1 ZINC000855347179 595682009 /nfs/dbraw/zinc/68/20/09/595682009.db2.gz XHNRDJMKCPBMJD-ZDUSSCGKSA-N 1 3 330.436 1.027 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnc2ccccc2n1 ZINC000855347179 595682011 /nfs/dbraw/zinc/68/20/11/595682011.db2.gz XHNRDJMKCPBMJD-ZDUSSCGKSA-N 1 3 330.436 1.027 20 0 EDADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000854334911 596039874 /nfs/dbraw/zinc/03/98/74/596039874.db2.gz URHRSOIMBXWRHY-RDJZCZTQSA-N 1 3 339.524 1.658 20 0 EDADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000854334911 596039878 /nfs/dbraw/zinc/03/98/78/596039878.db2.gz URHRSOIMBXWRHY-RDJZCZTQSA-N 1 3 339.524 1.658 20 0 EDADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861712663 596077477 /nfs/dbraw/zinc/07/74/77/596077477.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 1 3 335.492 1.309 20 0 EDADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861712663 596077480 /nfs/dbraw/zinc/07/74/80/596077480.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 1 3 335.492 1.309 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710969 596304478 /nfs/dbraw/zinc/30/44/78/596304478.db2.gz YLVLQPGCEJFKNN-JJTUDDRGSA-N 1 3 337.464 1.449 20 0 EDADHO C(CCCN1CCC2(C1)OCCO2)CCN1CCC2(C1)OCCO2 ZINC000118942911 596330613 /nfs/dbraw/zinc/33/06/13/596330613.db2.gz VUCIACBMCMSSPA-UHFFFAOYSA-N 1 3 340.464 1.444 20 0 EDADHO C(CCC[N@@H+]1CCC2(C1)OCCO2)CCN1CCC2(C1)OCCO2 ZINC000118942911 596330618 /nfs/dbraw/zinc/33/06/18/596330618.db2.gz VUCIACBMCMSSPA-UHFFFAOYSA-N 1 3 340.464 1.444 20 0 EDADHO C(CCC[N@H+]1CCC2(C1)OCCO2)CCN1CCC2(C1)OCCO2 ZINC000118942911 596330623 /nfs/dbraw/zinc/33/06/23/596330623.db2.gz VUCIACBMCMSSPA-UHFFFAOYSA-N 1 3 340.464 1.444 20 0 EDADHO COCCN(C)CCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866012 596382488 /nfs/dbraw/zinc/38/24/88/596382488.db2.gz PYXHLOFDKTXCPZ-UHFFFAOYSA-N 1 3 340.493 1.308 20 0 EDADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000870885271 596389837 /nfs/dbraw/zinc/38/98/37/596389837.db2.gz SLXLNWOBGVVYLV-HDMKZQKVSA-N 1 3 337.533 1.982 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC000869237499 596456894 /nfs/dbraw/zinc/45/68/94/596456894.db2.gz SZRQEXGZVMTHEP-SNGWPZLWSA-N 1 3 331.460 1.901 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc(C=O)cc1 ZINC000869237499 596456896 /nfs/dbraw/zinc/45/68/96/596456896.db2.gz SZRQEXGZVMTHEP-SNGWPZLWSA-N 1 3 331.460 1.901 20 0 EDADHO C[N@@H+]1CC[C@](O)(CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528138 596600754 /nfs/dbraw/zinc/60/07/54/596600754.db2.gz FTWYKHBRGMUUJE-NHYWBVRUSA-N 1 3 337.411 1.191 20 0 EDADHO C[N@H+]1CC[C@](O)(CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528138 596600758 /nfs/dbraw/zinc/60/07/58/596600758.db2.gz FTWYKHBRGMUUJE-NHYWBVRUSA-N 1 3 337.411 1.191 20 0 EDADHO C[N@H+](CCC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630143 /nfs/dbraw/zinc/63/01/43/596630143.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 1 3 325.497 1.602 20 0 EDADHO C[N@@H+](CCC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630146 /nfs/dbraw/zinc/63/01/46/596630146.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 1 3 325.497 1.602 20 0 EDADHO CC(=O)c1ccc(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870023879 596713925 /nfs/dbraw/zinc/71/39/25/596713925.db2.gz FBZLVAGNXGZRLO-ZIAGYGMSSA-N 1 3 337.489 1.762 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C(C)C ZINC000868218306 596730499 /nfs/dbraw/zinc/73/04/99/596730499.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 1 3 339.528 1.138 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCC(N2CCN(C)CC2)CC1)C(C)C ZINC000868218306 596730501 /nfs/dbraw/zinc/73/05/01/596730501.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 1 3 339.528 1.138 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228749 596736038 /nfs/dbraw/zinc/73/60/38/596736038.db2.gz KAKODPSBZWADNS-YESZJQIVSA-N 1 3 346.475 1.532 20 0 EDADHO C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CCN(C)CC1 ZINC000868239681 596741013 /nfs/dbraw/zinc/74/10/13/596741013.db2.gz XDMHYWHODWCPIE-OAUYIBNBSA-N 1 3 342.443 1.206 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2C3CCC2(CN)CC3)cc1 ZINC000868290040 596768993 /nfs/dbraw/zinc/76/89/93/596768993.db2.gz VQZAXAAKQHFHSA-UHFFFAOYSA-N 1 3 344.459 1.212 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000872226567 596843995 /nfs/dbraw/zinc/84/39/95/596843995.db2.gz OFBZMPCZPXRLII-VQTJNVASSA-N 1 3 347.503 1.242 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cncc3ccccc32)C1 ZINC000872254886 596855507 /nfs/dbraw/zinc/85/55/07/596855507.db2.gz FRBUCBDRGSMCOX-RYQLBKOJSA-N 1 3 338.411 1.602 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000875582652 596905315 /nfs/dbraw/zinc/90/53/15/596905315.db2.gz RTLYVVDSUPJORM-INIZCTEOSA-N 1 3 332.492 1.899 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875591821 596908533 /nfs/dbraw/zinc/90/85/33/596908533.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 1 3 328.501 1.251 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875591821 596908535 /nfs/dbraw/zinc/90/85/35/596908535.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 1 3 328.501 1.251 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000876208598 597137520 /nfs/dbraw/zinc/13/75/20/597137520.db2.gz RJCQIDBJIPUJIJ-GOSISDBHSA-N 1 3 347.507 1.308 20 0 EDADHO C[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C(C)(C)n1cncn1 ZINC000873242781 597237352 /nfs/dbraw/zinc/23/73/52/597237352.db2.gz DPOKRAJOENSNAK-ZDUSSCGKSA-N 1 3 340.435 1.231 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144585 597301966 /nfs/dbraw/zinc/30/19/66/597301966.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144585 597301970 /nfs/dbraw/zinc/30/19/70/597301970.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876719152 597303443 /nfs/dbraw/zinc/30/34/43/597303443.db2.gz DQPBHUJDDAWCPZ-YJBOKZPZSA-N 1 3 332.492 1.566 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876719152 597303447 /nfs/dbraw/zinc/30/34/47/597303447.db2.gz DQPBHUJDDAWCPZ-YJBOKZPZSA-N 1 3 332.492 1.566 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCCC[C@H]1C ZINC000876723654 597306723 /nfs/dbraw/zinc/30/67/23/597306723.db2.gz WJCMWNXALORVFC-HZPDHXFCSA-N 1 3 333.480 1.720 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171292 597312962 /nfs/dbraw/zinc/31/29/62/597312962.db2.gz QHZLFWRBYMHUEJ-CVEARBPZSA-N 1 3 340.512 1.251 20 0 EDADHO CN(C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000876744182 597318147 /nfs/dbraw/zinc/31/81/47/597318147.db2.gz RYACLMQZICFXCT-SFHVURJKSA-N 1 3 332.492 1.568 20 0 EDADHO CCN1CCC([N@@H+](C)C[C@H](O)c2cc(Br)no2)CC1 ZINC000878164423 597583320 /nfs/dbraw/zinc/58/33/20/597583320.db2.gz HJTAJYNDKQCPNZ-NSHDSACASA-N 1 3 332.242 1.887 20 0 EDADHO CCN1CCC([N@H+](C)C[C@H](O)c2cc(Br)no2)CC1 ZINC000878164423 597583319 /nfs/dbraw/zinc/58/33/19/597583319.db2.gz HJTAJYNDKQCPNZ-NSHDSACASA-N 1 3 332.242 1.887 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000879591263 597648374 /nfs/dbraw/zinc/64/83/74/597648374.db2.gz LJRKOOGRNDAGDD-LJQANCHMSA-N 1 3 347.503 1.447 20 0 EDADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1 ZINC000883203623 597684590 /nfs/dbraw/zinc/68/45/90/597684590.db2.gz ICTCINPOXCASQO-FJIDUMEYSA-N 1 3 328.497 1.907 20 0 EDADHO COCC[C@H](N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000884309541 598061987 /nfs/dbraw/zinc/06/19/87/598061987.db2.gz XWNSAOLJXXEZFO-SFHVURJKSA-N 1 3 333.476 1.517 20 0 EDADHO COCC[C@H](N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000884309541 598061990 /nfs/dbraw/zinc/06/19/90/598061990.db2.gz XWNSAOLJXXEZFO-SFHVURJKSA-N 1 3 333.476 1.517 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325492 598068015 /nfs/dbraw/zinc/06/80/15/598068015.db2.gz RUZPDSDUNNXUNM-WMLDXEAASA-N 1 3 330.476 1.969 20 0 EDADHO O=C(N[C@@H]1CC[C@H](CNCc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017795 699998677 /nfs/dbraw/zinc/99/86/77/699998677.db2.gz WZEJLULCVZBNPX-UONOGXRCSA-N 1 3 349.504 1.541 20 0 EDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915492441 695932381 /nfs/dbraw/zinc/93/23/81/695932381.db2.gz GYSKANYJPKEBPH-NKGKWGDASA-N 1 3 334.508 1.889 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCCN1CCCF ZINC000993371576 696019698 /nfs/dbraw/zinc/01/96/98/696019698.db2.gz ZYHLLOWRNUUBOT-HUUCEWRRSA-N 1 3 339.459 1.387 20 0 EDADHO CC[C@@H](C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)N(C)C ZINC000993872451 696420815 /nfs/dbraw/zinc/42/08/15/696420815.db2.gz FKWJMWYOLAZQDU-KRWDZBQOSA-N 1 3 346.475 1.029 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCF ZINC000993984840 696482018 /nfs/dbraw/zinc/48/20/18/696482018.db2.gz JIBKBADJRMQDQT-HOCLYGCPSA-N 1 3 339.459 1.387 20 0 EDADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675015 697484327 /nfs/dbraw/zinc/48/43/27/697484327.db2.gz RREUAFFSLCUYES-LJQANCHMSA-N 1 3 327.472 1.885 20 0 EDADHO CC1(NCc2nccs2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115352 700230073 /nfs/dbraw/zinc/23/00/73/700230073.db2.gz IVQRKLOHGHYBTP-OAHLLOKOSA-N 1 3 348.516 1.956 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474866 701551191 /nfs/dbraw/zinc/55/11/91/701551191.db2.gz AXSJJLAFCMQSNS-KRWDZBQOSA-N 1 3 348.535 1.489 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054381 699114968 /nfs/dbraw/zinc/11/49/68/699114968.db2.gz IPSBAZKKTMGKAV-WBMJQRKESA-N 1 3 336.505 1.730 20 0 EDADHO COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939213871 699363575 /nfs/dbraw/zinc/36/35/75/699363575.db2.gz GPRVTCDVGQPQLU-RDTXWAMCSA-N 1 3 342.443 1.735 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939258164 699435789 /nfs/dbraw/zinc/43/57/89/699435789.db2.gz PNZWJSXYMKUFMB-KBXCAEBGSA-N 1 3 345.491 1.453 20 0 EDADHO COc1cc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)ccn1 ZINC000939543274 699684466 /nfs/dbraw/zinc/68/44/66/699684466.db2.gz BUTCSLDNUJBUME-GOEBONIOSA-N 1 3 344.459 1.123 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)n2)CC1)N(C)C ZINC000940176358 700308870 /nfs/dbraw/zinc/30/88/70/700308870.db2.gz GINSXAXZXBUQJO-OAHLLOKOSA-N 1 3 349.479 1.296 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2OC)CC1)N(C)C ZINC000940177105 700310175 /nfs/dbraw/zinc/31/01/75/700310175.db2.gz WHIBDEMTJQFLGP-MRXNPFEDSA-N 1 3 348.491 1.901 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC000940328356 700506347 /nfs/dbraw/zinc/50/63/47/700506347.db2.gz HPESNJVULVNSKE-OAHLLOKOSA-N 1 3 348.495 1.253 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC000940328356 700506350 /nfs/dbraw/zinc/50/63/50/700506350.db2.gz HPESNJVULVNSKE-OAHLLOKOSA-N 1 3 348.495 1.253 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941186155 701390773 /nfs/dbraw/zinc/39/07/73/701390773.db2.gz DOPZPTJPUZUUJE-NVXWUHKLSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)CC1(C)C ZINC000941186155 701390774 /nfs/dbraw/zinc/39/07/74/701390774.db2.gz DOPZPTJPUZUUJE-NVXWUHKLSA-N 1 3 348.491 1.904 20 0 EDADHO CC1CC(C[NH+]2CC(N3CCN(C(=O)[C@H]4CCCCN4C)CC3)C2)C1 ZINC000941459514 701544036 /nfs/dbraw/zinc/54/40/36/701544036.db2.gz FNFVYOGXPMWNOI-FAFZWHIHSA-N 1 3 348.535 1.345 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H](NCCF)C2)CC1 ZINC000999195480 706638647 /nfs/dbraw/zinc/63/86/47/706638647.db2.gz ROFZKQQTBAETSU-ZACQAIPSSA-N 1 3 341.471 1.283 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825934 702098009 /nfs/dbraw/zinc/09/80/09/702098009.db2.gz UNFNBFNCFKZGNA-DLBZAZTESA-N 1 3 345.491 1.089 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)c1 ZINC001032206488 702149005 /nfs/dbraw/zinc/14/90/05/702149005.db2.gz BYQLLVLCRLXMJU-INIZCTEOSA-N 1 3 345.487 1.836 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902952 702210629 /nfs/dbraw/zinc/21/06/29/702210629.db2.gz ILJIMCXNEBHNSJ-IAGOWNOFSA-N 1 3 337.508 1.580 20 0 EDADHO CC(C)C[NH2+][C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996074682 702464504 /nfs/dbraw/zinc/46/45/04/702464504.db2.gz WRIMJSLMFPNJNA-BHEGOAEISA-N 1 3 335.492 1.332 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293103 702685410 /nfs/dbraw/zinc/68/54/10/702685410.db2.gz BICJPBYRPGRSQG-HZPDHXFCSA-N 1 3 333.480 1.194 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1)N(C)C ZINC000996313820 702702157 /nfs/dbraw/zinc/70/21/57/702702157.db2.gz GAKRKKMYGQVKMA-DLBZAZTESA-N 1 3 339.524 1.970 20 0 EDADHO Cc1cc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)sn1 ZINC000996524211 702859360 /nfs/dbraw/zinc/85/93/60/702859360.db2.gz GTTJGRCWSCHWET-HNNXBMFYSA-N 1 3 348.516 1.874 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)s1 ZINC000996560460 702878343 /nfs/dbraw/zinc/87/83/43/702878343.db2.gz HXTZMIQNUFXHTH-INIZCTEOSA-N 1 3 348.516 1.874 20 0 EDADHO COc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614267 702919576 /nfs/dbraw/zinc/91/95/76/702919576.db2.gz MQQNTMZKGVOUNY-HZPDHXFCSA-N 1 3 346.475 1.369 20 0 EDADHO COc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614267 702919578 /nfs/dbraw/zinc/91/95/78/702919578.db2.gz MQQNTMZKGVOUNY-HZPDHXFCSA-N 1 3 346.475 1.369 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC000996662741 702960438 /nfs/dbraw/zinc/96/04/38/702960438.db2.gz PRGVNWJHVLDSJS-QGZVFWFLSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC000996662741 702960439 /nfs/dbraw/zinc/96/04/39/702960439.db2.gz PRGVNWJHVLDSJS-QGZVFWFLSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000996666519 702963582 /nfs/dbraw/zinc/96/35/82/702963582.db2.gz STPVLPZVRBPZEU-UHFFFAOYSA-N 1 3 347.507 1.510 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000996674253 702969440 /nfs/dbraw/zinc/96/94/40/702969440.db2.gz BFWYVGNGFLOMES-GUYCJALGSA-N 1 3 331.464 1.458 20 0 EDADHO C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996674789 702970048 /nfs/dbraw/zinc/97/00/48/702970048.db2.gz WXGABGGFMMUIEL-YOEHRIQHSA-N 1 3 333.476 1.569 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032026325 703052740 /nfs/dbraw/zinc/05/27/40/703052740.db2.gz CDVXYIHQDRPDTJ-WMZOPIPTSA-N 1 3 337.508 1.724 20 0 EDADHO CC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC000996815651 703101760 /nfs/dbraw/zinc/10/17/60/703101760.db2.gz DAANUABIKNIIKD-LMFLDHGRSA-N 1 3 347.503 1.476 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)CC1 ZINC000996957112 703220369 /nfs/dbraw/zinc/22/03/69/703220369.db2.gz XOSTUZPGLGIKSV-UHFFFAOYSA-N 1 3 346.475 1.974 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)ccn1 ZINC000996995382 703252001 /nfs/dbraw/zinc/25/20/01/703252001.db2.gz OEPUMWVVFJWISN-HNNXBMFYSA-N 1 3 346.475 1.655 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997188041 703477571 /nfs/dbraw/zinc/47/75/71/703477571.db2.gz YIBGXYCKCUGTOJ-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997188041 703477573 /nfs/dbraw/zinc/47/75/73/703477573.db2.gz YIBGXYCKCUGTOJ-OAHLLOKOSA-N 1 3 345.491 1.252 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCCC4)CC2)C1 ZINC000997299925 703557241 /nfs/dbraw/zinc/55/72/41/703557241.db2.gz RQDGVXUDYVORNW-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCCC4)CC2)C1 ZINC000997299925 703557243 /nfs/dbraw/zinc/55/72/43/703557243.db2.gz RQDGVXUDYVORNW-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000997361616 703595621 /nfs/dbraw/zinc/59/56/21/703595621.db2.gz WZCRHAWTVGPKLF-HZPDHXFCSA-N 1 3 345.491 1.738 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366626 703600423 /nfs/dbraw/zinc/60/04/23/703600423.db2.gz IBNGLBSVLADHLV-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368150 703604957 /nfs/dbraw/zinc/60/49/57/703604957.db2.gz QFDCDZZWHDZLDE-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCO2)CC1 ZINC001032710444 706793237 /nfs/dbraw/zinc/79/32/37/706793237.db2.gz AHPYFDMAOSZSDV-FHWLQOOXSA-N 1 3 349.519 1.961 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999302621 706805997 /nfs/dbraw/zinc/80/59/97/706805997.db2.gz IOYXDZVNTIMOGB-WMTDPASSSA-N 1 3 345.491 1.594 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999302621 706805999 /nfs/dbraw/zinc/80/59/99/706805999.db2.gz IOYXDZVNTIMOGB-WMTDPASSSA-N 1 3 345.491 1.594 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786887 704696076 /nfs/dbraw/zinc/69/60/76/704696076.db2.gz RKHFIVGFWNJONP-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997819854 704740991 /nfs/dbraw/zinc/74/09/91/704740991.db2.gz DXHVWAFZKWCJOG-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997819854 704740992 /nfs/dbraw/zinc/74/09/92/704740992.db2.gz DXHVWAFZKWCJOG-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CC1 ZINC000997832089 704750526 /nfs/dbraw/zinc/75/05/26/704750526.db2.gz YSHCHGVAAYZJIF-QZTJIDSGSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)N(C)C ZINC000997856311 704764831 /nfs/dbraw/zinc/76/48/31/704764831.db2.gz TUVVFFSFHJVZQQ-IAGOWNOFSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094957 705066219 /nfs/dbraw/zinc/06/62/19/705066219.db2.gz ZCHRSONJCMBIJX-QAPCUYQASA-N 1 3 333.476 1.571 20 0 EDADHO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094957 705066223 /nfs/dbraw/zinc/06/62/23/705066223.db2.gz ZCHRSONJCMBIJX-QAPCUYQASA-N 1 3 333.476 1.571 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000998080543 705306389 /nfs/dbraw/zinc/30/63/89/705306389.db2.gz CZFGGLGEICHIHM-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000998080543 705306393 /nfs/dbraw/zinc/30/63/93/705306393.db2.gz CZFGGLGEICHIHM-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO COc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998114484 705364994 /nfs/dbraw/zinc/36/49/94/705364994.db2.gz IQASYPQQKGDHJS-UHFFFAOYSA-N 1 3 342.443 1.989 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286133 705681178 /nfs/dbraw/zinc/68/11/78/705681178.db2.gz GGQFEHOIMAKYOD-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286133 705681180 /nfs/dbraw/zinc/68/11/80/705681180.db2.gz GGQFEHOIMAKYOD-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000998790741 706237470 /nfs/dbraw/zinc/23/74/70/706237470.db2.gz DLTOAJOXNKDBFO-BOSFTKNMSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000998790741 706237473 /nfs/dbraw/zinc/23/74/73/706237473.db2.gz DLTOAJOXNKDBFO-BOSFTKNMSA-N 1 3 331.464 1.204 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999035168 706450238 /nfs/dbraw/zinc/45/02/38/706450238.db2.gz IWKAFBUDVLVFAM-VMBOVVBDSA-N 1 3 348.495 1.015 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999035168 706450240 /nfs/dbraw/zinc/45/02/40/706450240.db2.gz IWKAFBUDVLVFAM-VMBOVVBDSA-N 1 3 348.495 1.015 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999144742 706558644 /nfs/dbraw/zinc/55/86/44/706558644.db2.gz NIWVFXNIMPMPOO-NVXWUHKLSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999144742 706558646 /nfs/dbraw/zinc/55/86/46/706558646.db2.gz NIWVFXNIMPMPOO-NVXWUHKLSA-N 1 3 333.480 1.374 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)CCC1 ZINC000999347282 706859070 /nfs/dbraw/zinc/85/90/70/706859070.db2.gz INLOJBGSYKXYPQ-GOSISDBHSA-N 1 3 345.487 1.744 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)s1 ZINC000999373819 706868288 /nfs/dbraw/zinc/86/82/88/706868288.db2.gz RIIGBMKJFHWRKI-GDBMZVCRSA-N 1 3 336.505 1.872 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407421 706916947 /nfs/dbraw/zinc/91/69/47/706916947.db2.gz UUCBCIVDXUAGQK-IGEOTXOUSA-N 1 3 334.439 1.784 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2csc(C)n2)C1)N(C)C ZINC000999490428 707026712 /nfs/dbraw/zinc/02/67/12/707026712.db2.gz PSWUFSKPOCEREL-GOEBONIOSA-N 1 3 338.521 1.915 20 0 EDADHO O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001032725355 707711720 /nfs/dbraw/zinc/71/17/20/707711720.db2.gz RFAVSCLXOGJXOP-WDSOQIARSA-N 1 3 347.503 1.430 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](NCc3ccccn3)C2)CC1 ZINC001000571441 708052754 /nfs/dbraw/zinc/05/27/54/708052754.db2.gz JCGDDMYUPLTHCS-QGZVFWFLSA-N 1 3 346.475 1.273 20 0 EDADHO Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033595608 708299787 /nfs/dbraw/zinc/29/97/87/708299787.db2.gz VESQOXWTNGTVGM-OAHLLOKOSA-N 1 3 348.516 1.623 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033583646 708307614 /nfs/dbraw/zinc/30/76/14/708307614.db2.gz XGIJXQPWGRITJS-MSOLQXFVSA-N 1 3 347.507 1.374 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033583646 708307618 /nfs/dbraw/zinc/30/76/18/708307618.db2.gz XGIJXQPWGRITJS-MSOLQXFVSA-N 1 3 347.507 1.374 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001001835653 708340173 /nfs/dbraw/zinc/34/01/73/708340173.db2.gz YVDBIDXOICRLDS-QAPCUYQASA-N 1 3 330.476 1.608 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(Cc2ccccn2)CC1 ZINC001001835653 708340176 /nfs/dbraw/zinc/34/01/76/708340176.db2.gz YVDBIDXOICRLDS-QAPCUYQASA-N 1 3 330.476 1.608 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001001832840 708358595 /nfs/dbraw/zinc/35/85/95/708358595.db2.gz IEBROBOYVXBBBP-OCCSQVGLSA-N 1 3 335.414 1.965 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001001832840 708358598 /nfs/dbraw/zinc/35/85/98/708358598.db2.gz IEBROBOYVXBBBP-OCCSQVGLSA-N 1 3 335.414 1.965 20 0 EDADHO Cc1cccc(C(=O)NCC2CC[NH+](C(C)C(N)=O)CC2)c1Cl ZINC001001946707 708446286 /nfs/dbraw/zinc/44/62/86/708446286.db2.gz NFMKUSDOVLRDRD-GFCCVEGCSA-N 1 3 337.851 1.964 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033833889 708860309 /nfs/dbraw/zinc/86/03/09/708860309.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033833889 708860312 /nfs/dbraw/zinc/86/03/12/708860312.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039402 709272497 /nfs/dbraw/zinc/27/24/97/709272497.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 1 3 347.507 1.374 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039402 709272499 /nfs/dbraw/zinc/27/24/99/709272499.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 1 3 347.507 1.374 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490748 710109904 /nfs/dbraw/zinc/10/99/04/710109904.db2.gz MEOYXWQWGJOCLP-MRXNPFEDSA-N 1 3 335.492 1.622 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526089 710177587 /nfs/dbraw/zinc/17/75/87/710177587.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 1 3 336.505 1.608 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCc3ccns3)C2)C1 ZINC001034526089 710177590 /nfs/dbraw/zinc/17/75/90/710177590.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 1 3 336.505 1.608 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001034654580 710329577 /nfs/dbraw/zinc/32/95/77/710329577.db2.gz YJOYGFPCDYBSEV-XLAORIBOSA-N 1 3 335.492 1.667 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001034658775 710587588 /nfs/dbraw/zinc/58/75/88/710587588.db2.gz FSHBCJJNSJEIRK-ULQDDVLXSA-N 1 3 347.507 1.812 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001034658775 710587590 /nfs/dbraw/zinc/58/75/90/710587590.db2.gz FSHBCJJNSJEIRK-ULQDDVLXSA-N 1 3 347.507 1.812 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034721694 710874253 /nfs/dbraw/zinc/87/42/53/710874253.db2.gz QICYLDNEFHCFOA-WKILWMFISA-N 1 3 334.464 1.842 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734657 710916938 /nfs/dbraw/zinc/91/69/38/710916938.db2.gz URYPVRGVYVUMIA-BRSBDYLESA-N 1 3 337.508 1.772 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034739165 710932797 /nfs/dbraw/zinc/93/27/97/710932797.db2.gz YKZBHRXMERRFTB-MWQQHZPXSA-N 1 3 345.491 1.500 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034739165 710932803 /nfs/dbraw/zinc/93/28/03/710932803.db2.gz YKZBHRXMERRFTB-MWQQHZPXSA-N 1 3 345.491 1.500 20 0 EDADHO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)ccn1 ZINC001034959464 711434386 /nfs/dbraw/zinc/43/43/86/711434386.db2.gz ZAAWJJLALJEDQA-SJLPKXTDSA-N 1 3 346.475 1.511 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1)N1CCCCC1 ZINC001034938800 711440487 /nfs/dbraw/zinc/44/04/87/711440487.db2.gz SLUGUTJPSUWNBP-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001034939662 711442369 /nfs/dbraw/zinc/44/23/69/711442369.db2.gz JSRVQHBALFQWMI-IIAWOOMASA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sn1 ZINC001034939662 711442372 /nfs/dbraw/zinc/44/23/72/711442372.db2.gz JSRVQHBALFQWMI-IIAWOOMASA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncc(CNC[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)s1 ZINC001034941869 711447125 /nfs/dbraw/zinc/44/71/25/711447125.db2.gz PLVPEXIBEPJYOJ-WBVHZDCISA-N 1 3 348.516 1.874 20 0 EDADHO CN(C)c1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004140951 711540358 /nfs/dbraw/zinc/54/03/58/711540358.db2.gz AVFRMFNNMLQEIA-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO CN(C)c1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004140951 711540359 /nfs/dbraw/zinc/54/03/59/711540359.db2.gz AVFRMFNNMLQEIA-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557570742 306229767 /nfs/dbraw/zinc/22/97/67/306229767.db2.gz QWICOZIPNVKDEQ-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557570742 306229768 /nfs/dbraw/zinc/22/97/68/306229768.db2.gz QWICOZIPNVKDEQ-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518447 219129994 /nfs/dbraw/zinc/12/99/94/219129994.db2.gz ZKCIUVYUZKNOCV-OAHLLOKOSA-N 1 3 334.464 1.171 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518447 219129996 /nfs/dbraw/zinc/12/99/96/219129996.db2.gz ZKCIUVYUZKNOCV-OAHLLOKOSA-N 1 3 334.464 1.171 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000101979663 219177286 /nfs/dbraw/zinc/17/72/86/219177286.db2.gz GDDCYLWWIGPUGU-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000101979663 219177288 /nfs/dbraw/zinc/17/72/88/219177288.db2.gz GDDCYLWWIGPUGU-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000352922388 539928963 /nfs/dbraw/zinc/92/89/63/539928963.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922388 539928968 /nfs/dbraw/zinc/92/89/68/539928968.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000352922388 539928973 /nfs/dbraw/zinc/92/89/73/539928973.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000352922388 539928975 /nfs/dbraw/zinc/92/89/75/539928975.db2.gz REGBFPXYDWKEPZ-NGIXTJRHSA-N 1 3 325.497 1.014 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000562809394 306310036 /nfs/dbraw/zinc/31/00/36/306310036.db2.gz SPBDXEBVSJHCHU-KRWDZBQOSA-N 1 3 339.528 1.029 20 0 EDADHO CN1CC[C@@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051280 /nfs/dbraw/zinc/05/12/80/283051280.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 1 3 328.460 1.993 20 0 EDADHO CN1CC[C@@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051284 /nfs/dbraw/zinc/05/12/84/283051284.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 1 3 328.460 1.993 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775055 291047144 /nfs/dbraw/zinc/04/71/44/291047144.db2.gz ONBVNEIZGNPYEW-ZIAGYGMSSA-N 1 3 341.839 1.339 20 0 EDADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN(C2CCOCC2)C[C@H]1C ZINC000377082384 291062638 /nfs/dbraw/zinc/06/26/38/291062638.db2.gz NDEBVHBVUVCDHU-YQVWRLOYSA-N 1 3 336.524 1.645 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COCC(F)(F)F)CC2)CC1 ZINC000124364544 138326224 /nfs/dbraw/zinc/32/62/24/138326224.db2.gz BUZFBYVWRVAZAW-UHFFFAOYSA-N 1 3 337.386 1.240 20 0 EDADHO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)cc(CN)c2)CC1 ZINC000564722911 306363722 /nfs/dbraw/zinc/36/37/22/306363722.db2.gz XTRVDAUQNAXOAH-UHFFFAOYSA-N 1 3 332.448 1.240 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000564939108 306370561 /nfs/dbraw/zinc/37/05/61/306370561.db2.gz YXCWOUMATWQWSP-JKSUJKDBSA-N 1 3 339.528 1.171 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000376789921 296016387 /nfs/dbraw/zinc/01/63/87/296016387.db2.gz PEEZBABEQXHQRT-OAHLLOKOSA-N 1 3 333.480 1.568 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945038 306394943 /nfs/dbraw/zinc/39/49/43/306394943.db2.gz CCXLRLBXMUGNMK-HZSPNIEDSA-N 1 3 343.518 1.346 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000414713024 304131534 /nfs/dbraw/zinc/13/15/34/304131534.db2.gz VEDIQHMARJVOQD-OALUTQOASA-N 1 3 345.487 1.722 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000414713024 304131535 /nfs/dbraw/zinc/13/15/35/304131535.db2.gz VEDIQHMARJVOQD-OALUTQOASA-N 1 3 345.487 1.722 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713617 304131554 /nfs/dbraw/zinc/13/15/54/304131554.db2.gz VZBZGUZMHHYQBY-AWEZNQCLSA-N 1 3 344.459 1.119 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)c1 ZINC000414841569 304146758 /nfs/dbraw/zinc/14/67/58/304146758.db2.gz LHXRHPASPFLLNO-MRXNPFEDSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000415139069 304163591 /nfs/dbraw/zinc/16/35/91/304163591.db2.gz HXXIWCBJRPOGEB-WWGRRREGSA-N 1 3 330.432 1.340 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000415146368 304164635 /nfs/dbraw/zinc/16/46/35/304164635.db2.gz YMCOCGNDVIEUOP-GDBMZVCRSA-N 1 3 344.459 1.430 20 0 EDADHO CCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000236740540 139030098 /nfs/dbraw/zinc/03/00/98/139030098.db2.gz LVNDAUBGNZWYSA-RTBURBONSA-N 1 3 346.519 1.999 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236807653 139032085 /nfs/dbraw/zinc/03/20/85/139032085.db2.gz CDNLKTHFLCDQNJ-NJAFHUGGSA-N 1 3 337.508 1.913 20 0 EDADHO C[NH2+]C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000237109980 139040913 /nfs/dbraw/zinc/04/09/13/139040913.db2.gz AOQYYDGXSLSCID-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215020 139044577 /nfs/dbraw/zinc/04/45/77/139044577.db2.gz AJVXXFKTLVTFOA-SFHVURJKSA-N 1 3 330.476 1.192 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000415224502 304176030 /nfs/dbraw/zinc/17/60/30/304176030.db2.gz HGADWMGSCLNTNO-KEYYUXOJSA-N 1 3 344.459 1.730 20 0 EDADHO N[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237881376 139062777 /nfs/dbraw/zinc/06/27/77/139062777.db2.gz GXXPRWQKKBODCD-QAPCUYQASA-N 1 3 331.460 1.694 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000237905029 139063459 /nfs/dbraw/zinc/06/34/59/139063459.db2.gz ODGIUZVEQMOEOF-INIZCTEOSA-N 1 3 328.460 1.767 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000238004337 139066104 /nfs/dbraw/zinc/06/61/04/139066104.db2.gz RARXXRGRQKAVEG-OAHLLOKOSA-N 1 3 325.522 1.996 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000415239389 304177598 /nfs/dbraw/zinc/17/75/98/304177598.db2.gz ATCNOWDIHZXVNN-KUHUBIRLSA-N 1 3 344.459 1.589 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415351035 304201123 /nfs/dbraw/zinc/20/11/23/304201123.db2.gz NBIMKSUDOBLBRN-HUUCEWRRSA-N 1 3 346.475 1.499 20 0 EDADHO CC(C)(CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415379994 304209318 /nfs/dbraw/zinc/20/93/18/304209318.db2.gz KKMYRBBZCQLDKE-UHFFFAOYSA-N 1 3 346.475 1.507 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000247649773 139153303 /nfs/dbraw/zinc/15/33/03/139153303.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000247649773 139153304 /nfs/dbraw/zinc/15/33/04/139153304.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+]1CCC(CNCc2ccc3c(n2)CCC3)(N2CCOCC2)CC1 ZINC000568732391 306487833 /nfs/dbraw/zinc/48/78/33/306487833.db2.gz PSLWRWSNZRDVAQ-UHFFFAOYSA-N 1 3 344.503 1.457 20 0 EDADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H](CN)C3CC3)ccc21 ZINC000415447614 304221029 /nfs/dbraw/zinc/22/10/29/304221029.db2.gz HNNIFOQPBVJJEA-JKSUJKDBSA-N 1 3 330.432 1.028 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCOCC1 ZINC000261621504 139211887 /nfs/dbraw/zinc/21/18/87/139211887.db2.gz CENGGAUIJUMUPI-QZTJIDSGSA-N 1 3 331.460 1.521 20 0 EDADHO COc1ccccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261723675 139220732 /nfs/dbraw/zinc/22/07/32/139220732.db2.gz RADBFPPXDDTNQY-DOTOQJQBSA-N 1 3 331.460 1.775 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@H]2c2cccnc2)CC1 ZINC000261730009 139221238 /nfs/dbraw/zinc/22/12/38/139221238.db2.gz LUMMQZOLEIXEBY-SFHVURJKSA-N 1 3 345.491 1.017 20 0 EDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000261754719 139223309 /nfs/dbraw/zinc/22/33/09/139223309.db2.gz PILJNDPNWUGXKY-GDBMZVCRSA-N 1 3 339.505 1.777 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000261817748 139228653 /nfs/dbraw/zinc/22/86/53/139228653.db2.gz HNQJEEPRZIBAPK-OAHLLOKOSA-N 1 3 331.460 1.972 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262067862 139248162 /nfs/dbraw/zinc/24/81/62/139248162.db2.gz SEVZKKLNPBUXQT-JLSDUUJJSA-N 1 3 331.460 1.692 20 0 EDADHO NC[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415472400 250957926 /nfs/dbraw/zinc/95/79/26/250957926.db2.gz WRNTVHKZRHNYGU-QGZVFWFLSA-N 1 3 344.459 1.213 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC000262200888 139259435 /nfs/dbraw/zinc/25/94/35/139259435.db2.gz IEXCVBHOLWCNGS-SFHVURJKSA-N 1 3 345.487 1.913 20 0 EDADHO COC(=O)[C@H](C)Oc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184219 139258217 /nfs/dbraw/zinc/25/82/17/139258217.db2.gz XGUBLMXXVCQKCG-DOTOQJQBSA-N 1 3 347.459 1.106 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416009533 251046653 /nfs/dbraw/zinc/04/66/53/251046653.db2.gz PIQJOTHDJMBFFF-NWDGAFQWSA-N 1 3 340.390 1.018 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000416833255 251111625 /nfs/dbraw/zinc/11/16/25/251111625.db2.gz CKRLBOFMPVPDOM-IRXDYDNUSA-N 1 3 334.464 1.221 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000416990142 251118815 /nfs/dbraw/zinc/11/88/15/251118815.db2.gz MZKFZEOJWQEBRE-UHFFFAOYSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417175048 251145226 /nfs/dbraw/zinc/14/52/26/251145226.db2.gz ANJPXBRFBSPOPZ-MAUKXSAKSA-N 1 3 332.492 1.928 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)NC[C@@H]1CC[NH2+]C1 ZINC000417590673 251200558 /nfs/dbraw/zinc/20/05/58/251200558.db2.gz HSSYRKMGCGQKMA-QGZVFWFLSA-N 1 3 346.475 1.570 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417674587 251224725 /nfs/dbraw/zinc/22/47/25/251224725.db2.gz ZVSUKLXEFGPTQI-QYZOEREBSA-N 1 3 342.487 1.902 20 0 EDADHO COC[C@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826161 251286639 /nfs/dbraw/zinc/28/66/39/251286639.db2.gz MLWTXIFMQPUWBH-HKUYNNGSSA-N 1 3 327.428 1.582 20 0 EDADHO CC(C)(C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@H](N)c1ccccc1 ZINC000417836437 251291813 /nfs/dbraw/zinc/29/18/13/251291813.db2.gz ORSZRWFQBBREFB-IAGOWNOFSA-N 1 3 345.487 1.927 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262503924 139283015 /nfs/dbraw/zinc/28/30/15/139283015.db2.gz AXWMOBXQTAUOGR-SWLSCSKDSA-N 1 3 329.366 1.904 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCCO1 ZINC000418121426 251332301 /nfs/dbraw/zinc/33/23/01/251332301.db2.gz WWJIFKHZWZVMBQ-HYVNUMGLSA-N 1 3 338.496 1.175 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418532585 251377817 /nfs/dbraw/zinc/37/78/17/251377817.db2.gz XSTUQXHMLFNWPI-GOSISDBHSA-N 1 3 332.492 1.802 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000262653187 139293387 /nfs/dbraw/zinc/29/33/87/139293387.db2.gz SKOWZBYBAQZIMT-GOSISDBHSA-N 1 3 331.460 1.402 20 0 EDADHO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000153137186 224063814 /nfs/dbraw/zinc/06/38/14/224063814.db2.gz XFVIGPWZHRIUNM-HNNXBMFYSA-N 1 3 349.475 1.560 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044101 252027924 /nfs/dbraw/zinc/02/79/24/252027924.db2.gz ATOCPWVCKZOQIX-WBVHZDCISA-N 1 3 337.489 1.834 20 0 EDADHO C[C@@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000423093769 252036923 /nfs/dbraw/zinc/03/69/23/252036923.db2.gz AJDWBUGCFMFGPS-JTQLQIEISA-N 1 3 337.848 1.474 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262911985 139312378 /nfs/dbraw/zinc/31/23/78/139312378.db2.gz YQJVYYCQXNJPRA-CYBMUJFWSA-N 1 3 332.448 1.450 20 0 EDADHO C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@@H](N)c1ccccc1 ZINC000424035179 252121708 /nfs/dbraw/zinc/12/17/08/252121708.db2.gz DVGRDGWKAKCMED-NRSFXHEJSA-N 1 3 343.471 1.550 20 0 EDADHO N[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000423791268 252076169 /nfs/dbraw/zinc/07/61/69/252076169.db2.gz HIFMVLILYNCEME-SFHVURJKSA-N 1 3 337.508 1.855 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424142237 252140946 /nfs/dbraw/zinc/14/09/46/252140946.db2.gz DSNSDJSTLVQANA-LSDHHAIUSA-N 1 3 348.495 1.443 20 0 EDADHO O=C(N[C@H]1CCN(CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144842 252142788 /nfs/dbraw/zinc/14/27/88/252142788.db2.gz MFQDOTHZWKZTMV-HOTGVXAUSA-N 1 3 346.479 1.197 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424149650 252145105 /nfs/dbraw/zinc/14/51/05/252145105.db2.gz WZTQVBRBARNGEJ-HNNXBMFYSA-N 1 3 342.447 1.825 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180289 252154183 /nfs/dbraw/zinc/15/41/83/252154183.db2.gz NXCIITUZBPAEHA-IAGOWNOFSA-N 1 3 325.497 1.853 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383780 252204565 /nfs/dbraw/zinc/20/45/65/252204565.db2.gz UMLVENZYRGLIHR-OAHLLOKOSA-N 1 3 347.507 1.529 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000424439701 252231124 /nfs/dbraw/zinc/23/11/24/252231124.db2.gz OSODKHXUXPTFPK-ZFWWWQNUSA-N 1 3 346.475 1.629 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865165 285033701 /nfs/dbraw/zinc/03/37/01/285033701.db2.gz IEYMBNFBFHQOSP-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000121188829 285034550 /nfs/dbraw/zinc/03/45/50/285034550.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000121188829 285034551 /nfs/dbraw/zinc/03/45/51/285034551.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 1 3 340.512 1.374 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994226 285195311 /nfs/dbraw/zinc/19/53/11/285195311.db2.gz LHOXBVBHBBXMPZ-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO CCN1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333554920 285210067 /nfs/dbraw/zinc/21/00/67/285210067.db2.gz PTXLCMPHQXRAHN-UHFFFAOYSA-N 1 3 334.508 1.877 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000471646685 255015012 /nfs/dbraw/zinc/01/50/12/255015012.db2.gz WNQQVELDWGEOQZ-UHFFFAOYSA-N 1 3 326.485 1.082 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955103 285247813 /nfs/dbraw/zinc/24/78/13/285247813.db2.gz SUPNSPYICTVVPQ-HUUCEWRRSA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955103 285247815 /nfs/dbraw/zinc/24/78/15/285247815.db2.gz SUPNSPYICTVVPQ-HUUCEWRRSA-N 1 3 327.469 1.060 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000495039665 255266622 /nfs/dbraw/zinc/26/66/22/255266622.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000495039665 255266623 /nfs/dbraw/zinc/26/66/23/255266623.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(Cc2ccccc2)CC1 ZINC000495155340 255270913 /nfs/dbraw/zinc/27/09/13/255270913.db2.gz ZHTCBDIFHPCNEG-WQANXHIZSA-N 1 3 327.472 1.664 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581027 285276350 /nfs/dbraw/zinc/27/63/50/285276350.db2.gz NUAYREZRRGJAIE-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581027 285276351 /nfs/dbraw/zinc/27/63/51/285276351.db2.gz NUAYREZRRGJAIE-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCSC1 ZINC000341453884 285278382 /nfs/dbraw/zinc/27/83/82/285278382.db2.gz AWGKUZDVXRQKFO-GJZGRUSLSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCSC1 ZINC000341453884 285278385 /nfs/dbraw/zinc/27/83/85/285278385.db2.gz AWGKUZDVXRQKFO-GJZGRUSLSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637544 285278677 /nfs/dbraw/zinc/27/86/77/285278677.db2.gz YTXVOOCXWUVWQA-STQMWFEESA-N 1 3 338.418 1.995 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637544 285278678 /nfs/dbraw/zinc/27/86/78/285278678.db2.gz YTXVOOCXWUVWQA-STQMWFEESA-N 1 3 338.418 1.995 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417744179 285319723 /nfs/dbraw/zinc/31/97/23/285319723.db2.gz DPMPCMIKVLLAOB-BRWVUGGUSA-N 1 3 339.528 1.171 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000119202007 221264697 /nfs/dbraw/zinc/26/46/97/221264697.db2.gz RJRQEVMEJKOGOC-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000119202007 221264698 /nfs/dbraw/zinc/26/46/98/221264698.db2.gz RJRQEVMEJKOGOC-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000570683655 306548638 /nfs/dbraw/zinc/54/86/38/306548638.db2.gz ACVFLAPQCVKNOU-CGTJXYLNSA-N 1 3 335.492 1.523 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909455 304284836 /nfs/dbraw/zinc/28/48/36/304284836.db2.gz GDMHFLVRSHVMSZ-MRXNPFEDSA-N 1 3 347.507 1.801 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415888195 304284417 /nfs/dbraw/zinc/28/44/17/304284417.db2.gz ZFTQYWJFRGFTAX-SFHVURJKSA-N 1 3 346.475 1.547 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415906798 304284921 /nfs/dbraw/zinc/28/49/21/304284921.db2.gz YUFDBNNXSMFMFN-UHFFFAOYSA-N 1 3 347.507 1.944 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000332312883 141160680 /nfs/dbraw/zinc/16/06/80/141160680.db2.gz TZXQWMHJPQTHDU-CYGHRXIMSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1CCN(S(C)(=O)=O)CC1 ZINC000333235393 141285440 /nfs/dbraw/zinc/28/54/40/141285440.db2.gz CXNMBGBSUQBWTL-GOEBONIOSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000333324340 141299383 /nfs/dbraw/zinc/29/93/83/141299383.db2.gz QGUQIJYTSMCRRX-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CN1C1CC1 ZINC000333430189 141316392 /nfs/dbraw/zinc/31/63/92/141316392.db2.gz UKSBAQIBJKYGNA-SDNTUTLCSA-N 1 3 336.480 1.149 20 0 EDADHO C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701013 141361381 /nfs/dbraw/zinc/36/13/81/141361381.db2.gz QUYTXKNXMLGDET-HRCADAONSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333811933 141385903 /nfs/dbraw/zinc/38/59/03/141385903.db2.gz FVRLYTIWEVSDTA-NXHRZFHOSA-N 1 3 337.508 1.996 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339587383 142084955 /nfs/dbraw/zinc/08/49/55/142084955.db2.gz XBARPADTRKMBKP-UHFFFAOYSA-N 1 3 340.512 1.215 20 0 EDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC1CCN(C)CC1 ZINC000339639402 142103773 /nfs/dbraw/zinc/10/37/73/142103773.db2.gz RWROVXZCGXYWDU-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1[NH+](C)C ZINC000340799991 142486374 /nfs/dbraw/zinc/48/63/74/142486374.db2.gz LVKOAGQVWRKHMJ-BBRMVZONSA-N 1 3 332.448 1.095 20 0 EDADHO COC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000163618187 292094301 /nfs/dbraw/zinc/09/43/01/292094301.db2.gz WHIVQXSPERNRMP-QGZVFWFLSA-N 1 3 331.460 1.708 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345859655 143140495 /nfs/dbraw/zinc/14/04/95/143140495.db2.gz DNQKYAZUSSGHJL-HZPDHXFCSA-N 1 3 326.485 1.220 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]([NH3+])C1 ZINC000346058039 143162797 /nfs/dbraw/zinc/16/27/97/143162797.db2.gz DCCLIJDUKGDMOX-SJLPKXTDSA-N 1 3 344.503 1.579 20 0 EDADHO COC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000163618088 292094010 /nfs/dbraw/zinc/09/40/10/292094010.db2.gz WHIVQXSPERNRMP-KRWDZBQOSA-N 1 3 331.460 1.708 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346933203 143263079 /nfs/dbraw/zinc/26/30/79/143263079.db2.gz DCIJJDIEHINBKE-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000347978997 143386869 /nfs/dbraw/zinc/38/68/69/143386869.db2.gz QOXAYGNZNZXCEX-HOTGVXAUSA-N 1 3 340.512 1.163 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987912 285807172 /nfs/dbraw/zinc/80/71/72/285807172.db2.gz FDMHNPGMGBBNIZ-ZWKOTPCHSA-N 1 3 335.492 1.573 20 0 EDADHO CCCN1CCN(C2CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000369823447 155190667 /nfs/dbraw/zinc/19/06/67/155190667.db2.gz AKZYIXISIOVANT-UHFFFAOYSA-N 1 3 338.540 1.201 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573578146 306625268 /nfs/dbraw/zinc/62/52/68/306625268.db2.gz HNVJRYKEHISBGB-DLBZAZTESA-N 1 3 339.505 1.874 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416973649 304358741 /nfs/dbraw/zinc/35/87/41/304358741.db2.gz JLSHJHVVDGXMQY-RHSMWYFYSA-N 1 3 334.464 1.424 20 0 EDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416979345 304360101 /nfs/dbraw/zinc/36/01/01/304360101.db2.gz SDTMOAJAZICJQS-CRAIPNDOSA-N 1 3 330.476 1.825 20 0 EDADHO C[N@H+](CCCN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000354880738 150009294 /nfs/dbraw/zinc/00/92/94/150009294.db2.gz MNQFADMSINOBIO-UHFFFAOYSA-N 1 3 332.492 1.952 20 0 EDADHO C[N@@H+](CCCN1CCOCC1)CC1CCN(c2ccncc2)CC1 ZINC000354880738 150009297 /nfs/dbraw/zinc/00/92/97/150009297.db2.gz MNQFADMSINOBIO-UHFFFAOYSA-N 1 3 332.492 1.952 20 0 EDADHO CN1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031463 304362749 /nfs/dbraw/zinc/36/27/49/304362749.db2.gz XLMLIYXBWVEIFL-QZTJIDSGSA-N 1 3 345.491 1.026 20 0 EDADHO CC(C)(CNC(=O)NCC1CCN(CCO)CC1)C[NH+]1CCCC1 ZINC000358244698 151316341 /nfs/dbraw/zinc/31/63/41/151316341.db2.gz FENDLFIXKQKSMD-UHFFFAOYSA-N 1 3 340.512 1.112 20 0 EDADHO CSC1(CNC(=O)N(C)CCN(C)C2CC2)CC[NH+](C)CC1 ZINC000360663096 152143075 /nfs/dbraw/zinc/14/30/75/152143075.db2.gz CLMOWWNKMRWARV-UHFFFAOYSA-N 1 3 328.526 1.549 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081276 152297769 /nfs/dbraw/zinc/29/77/69/152297769.db2.gz QPPRYPNDYVOWPO-DLBZAZTESA-N 1 3 331.460 1.745 20 0 EDADHO CCN1CCN(CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC1 ZINC000364201602 153172023 /nfs/dbraw/zinc/17/20/23/153172023.db2.gz OHQVGQFAFDWCCQ-ROUUACIJSA-N 1 3 348.466 1.106 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000366563715 153855766 /nfs/dbraw/zinc/85/57/66/153855766.db2.gz FCVPMGXSBBWIKC-HKUYNNGSSA-N 1 3 342.487 1.653 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CSCCN2)cc1 ZINC000367595026 154193125 /nfs/dbraw/zinc/19/31/25/154193125.db2.gz UVOHQYYSYKYEKK-XIRDDKMYSA-N 1 3 349.500 1.352 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417371999 304395229 /nfs/dbraw/zinc/39/52/29/304395229.db2.gz WJJAOLBUGLZNAZ-GOEBONIOSA-N 1 3 334.464 1.554 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000371818527 156120505 /nfs/dbraw/zinc/12/05/05/156120505.db2.gz IBAQSTKRYYZLLY-KRWDZBQOSA-N 1 3 330.476 1.752 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000371818527 156120511 /nfs/dbraw/zinc/12/05/11/156120511.db2.gz IBAQSTKRYYZLLY-KRWDZBQOSA-N 1 3 330.476 1.752 20 0 EDADHO Cc1nccn1CCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372428007 156384819 /nfs/dbraw/zinc/38/48/19/156384819.db2.gz LCPXROIYZPDMLI-MJGOQNOKSA-N 1 3 333.524 1.930 20 0 EDADHO Cc1nccn1CCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372428007 156384822 /nfs/dbraw/zinc/38/48/22/156384822.db2.gz LCPXROIYZPDMLI-MJGOQNOKSA-N 1 3 333.524 1.930 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523042 304402949 /nfs/dbraw/zinc/40/29/49/304402949.db2.gz HNVQOHOCGMAQDA-RDJZCZTQSA-N 1 3 348.491 1.548 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512802 157314482 /nfs/dbraw/zinc/31/44/82/157314482.db2.gz FMRGCPHMYIXWBI-UHFFFAOYSA-N 1 3 331.460 1.843 20 0 EDADHO CN1CCN(C2(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCCCC2)CC1 ZINC000378203888 158107756 /nfs/dbraw/zinc/10/77/56/158107756.db2.gz SUCUOAIQYISRKF-SJORKVTESA-N 1 3 336.524 1.570 20 0 EDADHO COC(=O)c1cc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424333 158170382 /nfs/dbraw/zinc/17/03/82/158170382.db2.gz DTBFDVAZQSWHKQ-MRXNPFEDSA-N 1 3 349.475 1.975 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417548747 304426850 /nfs/dbraw/zinc/42/68/50/304426850.db2.gz RQEZCDVBZZAINO-GDBMZVCRSA-N 1 3 340.512 1.787 20 0 EDADHO CCN(C[C@H](C)O)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186205 162038947 /nfs/dbraw/zinc/03/89/47/162038947.db2.gz JWPBRHUOXSNPRE-DLBZAZTESA-N 1 3 347.503 1.858 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000074103341 287267610 /nfs/dbraw/zinc/26/76/10/287267610.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000074103341 287267612 /nfs/dbraw/zinc/26/76/12/287267612.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443062716 287301760 /nfs/dbraw/zinc/30/17/60/287301760.db2.gz VERSTQKNXDKSER-IKGGRYGDSA-N 1 3 325.497 1.759 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000159229787 225174587 /nfs/dbraw/zinc/17/45/87/225174587.db2.gz IIIJRNTUMAWVNS-GOSISDBHSA-N 1 3 330.476 1.361 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000166453560 226158737 /nfs/dbraw/zinc/15/87/37/226158737.db2.gz YIWVITKXLWTBNG-DLBZAZTESA-N 1 3 346.475 1.112 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000418431825 304495273 /nfs/dbraw/zinc/49/52/73/304495273.db2.gz RNXBOUVXBMQSGO-HUUCEWRRSA-N 1 3 340.512 1.645 20 0 EDADHO CC[C@H]1[C@@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764268 452347571 /nfs/dbraw/zinc/34/75/71/452347571.db2.gz ZSZZKRLYKVYVHK-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO CC[C@H]1[C@@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764268 452347580 /nfs/dbraw/zinc/34/75/80/452347580.db2.gz ZSZZKRLYKVYVHK-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000665763939 452347612 /nfs/dbraw/zinc/34/76/12/452347612.db2.gz POSZNIWFPGVJAX-XHSDSOJGSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@@H](C)O1 ZINC000665763939 452347618 /nfs/dbraw/zinc/34/76/18/452347618.db2.gz POSZNIWFPGVJAX-XHSDSOJGSA-N 1 3 328.501 1.515 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H](C)CN2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000659606344 452462468 /nfs/dbraw/zinc/46/24/68/452462468.db2.gz SNQWVPDYVVUVSS-BZUAXINKSA-N 1 3 326.485 1.112 20 0 EDADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC1 ZINC000275909026 268384292 /nfs/dbraw/zinc/38/42/92/268384292.db2.gz VDAXZEBHIPBREM-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc(N(C)CCOC)nc1 ZINC000276616231 268451751 /nfs/dbraw/zinc/45/17/51/268451751.db2.gz JVCJPLCLEQFVEP-QGZVFWFLSA-N 1 3 338.496 1.611 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278912014 273270739 /nfs/dbraw/zinc/27/07/39/273270739.db2.gz CEPBJKXTFNIGOK-RHSMWYFYSA-N 1 3 327.432 1.519 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000280825837 273403337 /nfs/dbraw/zinc/40/33/37/273403337.db2.gz KMRGWHKRWKHNNJ-CGTJXYLNSA-N 1 3 336.476 1.923 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@H](N)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692028 275982448 /nfs/dbraw/zinc/98/24/48/275982448.db2.gz HPXYPMWVTIFJSM-IAGOWNOFSA-N 1 3 325.497 1.613 20 0 EDADHO CC1CCN(CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000369776890 276195787 /nfs/dbraw/zinc/19/57/87/276195787.db2.gz DXQFVXUFXYZDPB-ZWKOTPCHSA-N 1 3 336.524 1.203 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373266740 276372038 /nfs/dbraw/zinc/37/20/38/276372038.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373266740 276372039 /nfs/dbraw/zinc/37/20/39/276372039.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc4c(c3)CNC4)C2)C1 ZINC000418581693 277085586 /nfs/dbraw/zinc/08/55/86/277085586.db2.gz MISSVZNKHVHLBH-IBGZPJMESA-N 1 3 328.460 1.917 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc4c(c3)CNC4)C2)C1 ZINC000418581693 277085589 /nfs/dbraw/zinc/08/55/89/277085589.db2.gz MISSVZNKHVHLBH-IBGZPJMESA-N 1 3 328.460 1.917 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000125828120 277398826 /nfs/dbraw/zinc/39/88/26/277398826.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000125828120 277398827 /nfs/dbraw/zinc/39/88/27/277398827.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCCCN1 ZINC000422906902 288047081 /nfs/dbraw/zinc/04/70/81/288047081.db2.gz VZIOYFOGGGTMLE-ULQDDVLXSA-N 1 3 327.538 1.705 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281233 288106909 /nfs/dbraw/zinc/10/69/09/288106909.db2.gz BTCQANAOHALDOF-TVFCKZIOSA-N 1 3 325.497 1.186 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281233 288106910 /nfs/dbraw/zinc/10/69/10/288106910.db2.gz BTCQANAOHALDOF-TVFCKZIOSA-N 1 3 325.497 1.186 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000343932007 279155363 /nfs/dbraw/zinc/15/53/63/279155363.db2.gz QTGDNQYBKVSKPQ-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119775 /nfs/dbraw/zinc/11/97/75/288119775.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 1 3 332.492 1.595 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119778 /nfs/dbraw/zinc/11/97/78/288119778.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 1 3 332.492 1.595 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)N[C@H](C)C3)cc2)CC1 ZINC000153701430 279373552 /nfs/dbraw/zinc/37/35/52/279373552.db2.gz JYHJLZAUWUJVLV-HZPDHXFCSA-N 1 3 330.476 1.651 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340070 288153411 /nfs/dbraw/zinc/15/34/11/288153411.db2.gz DJJXLEKURZLPTJ-BBWFWOEESA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000288205378 288430825 /nfs/dbraw/zinc/43/08/25/288430825.db2.gz PUYNSUNUNKCHQT-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376780880 289042293 /nfs/dbraw/zinc/04/22/93/289042293.db2.gz ZYXSBFWXWVBWEX-YYIAUSFCSA-N 1 3 336.480 1.118 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@]2(C1)CCCOC2)c1ccccc1 ZINC000341988291 289278010 /nfs/dbraw/zinc/27/80/10/289278010.db2.gz JQZGAAZNFSISJG-AZUAARDMSA-N 1 3 345.487 1.908 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000417838468 289398972 /nfs/dbraw/zinc/39/89/72/289398972.db2.gz VXKKITZUFOPJPY-RDJZCZTQSA-N 1 3 340.537 1.597 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC(CN3CCOCC3)CC2)cc1 ZINC000420306760 304746950 /nfs/dbraw/zinc/74/69/50/304746950.db2.gz ASEPUMGZKMVDBL-LJQANCHMSA-N 1 3 347.503 1.782 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000420475427 304763328 /nfs/dbraw/zinc/76/33/28/304763328.db2.gz WRWKNKYRSITYTE-HUUCEWRRSA-N 1 3 325.478 1.544 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277158 304890902 /nfs/dbraw/zinc/89/09/02/304890902.db2.gz NSMLZEDOWQXFLY-RRQGHBQHSA-N 1 3 337.489 1.819 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)COC2CC[NH2+]CC2)N(C)C)cc1 ZINC000423298980 304891563 /nfs/dbraw/zinc/89/15/63/304891563.db2.gz BBZPNGUNHJTFLF-GOSISDBHSA-N 1 3 333.476 1.737 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000423313133 304892201 /nfs/dbraw/zinc/89/22/01/304892201.db2.gz FDVHVZNOXSAFKP-GOSISDBHSA-N 1 3 341.459 1.799 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NC2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000423748225 304907941 /nfs/dbraw/zinc/90/79/41/304907941.db2.gz QJVZXEQPGCWRSN-GULCKSEBSA-N 1 3 325.497 1.756 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423755363 304908661 /nfs/dbraw/zinc/90/86/61/304908661.db2.gz HPXZOMVZSKQGJD-CVEARBPZSA-N 1 3 339.480 1.285 20 0 EDADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430606915 305058323 /nfs/dbraw/zinc/05/83/23/305058323.db2.gz XPKQFHMNDWLXLK-AWEZNQCLSA-N 1 3 349.475 1.721 20 0 EDADHO COCC[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430848026 305065816 /nfs/dbraw/zinc/06/58/16/305065816.db2.gz OHEMMNKUVQWUOA-FQEVSTJZSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431033788 305073279 /nfs/dbraw/zinc/07/32/79/305073279.db2.gz KOQHKCMOVMASOH-HNNXBMFYSA-N 1 3 344.459 1.476 20 0 EDADHO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000433265191 305104193 /nfs/dbraw/zinc/10/41/93/305104193.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 1 3 333.480 1.356 20 0 EDADHO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000433265191 305104194 /nfs/dbraw/zinc/10/41/94/305104194.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 1 3 333.480 1.356 20 0 EDADHO CC(C)[NH+](CCNC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000433284242 305104785 /nfs/dbraw/zinc/10/47/85/305104785.db2.gz QGGULUUEXBLLNY-KRWDZBQOSA-N 1 3 342.528 1.905 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)N(C)C ZINC000434429453 305122287 /nfs/dbraw/zinc/12/22/87/305122287.db2.gz HYRDERTXVVJMMW-SFHVURJKSA-N 1 3 338.540 1.590 20 0 EDADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000434693654 305127826 /nfs/dbraw/zinc/12/78/26/305127826.db2.gz OBHCUOXDCULIET-CXAGYDPISA-N 1 3 328.420 1.777 20 0 EDADHO CC1CC[NH+](CCCNC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000436490179 305158613 /nfs/dbraw/zinc/15/86/13/305158613.db2.gz SBNMTTMIIXRKTE-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000453085294 305405114 /nfs/dbraw/zinc/40/51/14/305405114.db2.gz GALKHSJEXFKOQB-HNNXBMFYSA-N 1 3 341.459 1.489 20 0 EDADHO C[C@H](Cc1cnccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000453083482 305405143 /nfs/dbraw/zinc/40/51/43/305405143.db2.gz IDNBTRCANQSXFG-QGZVFWFLSA-N 1 3 340.475 1.605 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000414907921 447352544 /nfs/dbraw/zinc/35/25/44/447352544.db2.gz FCSRVMQQVLPKAE-HNNXBMFYSA-N 1 3 332.448 1.287 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528673679 305883315 /nfs/dbraw/zinc/88/33/15/305883315.db2.gz XKVGHLAXULOVSH-UHFFFAOYSA-N 1 3 336.436 1.256 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000425938422 447364460 /nfs/dbraw/zinc/36/44/60/447364460.db2.gz WVOSLJPFACYWBA-HUUCEWRRSA-N 1 3 341.496 1.354 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000425938422 447364468 /nfs/dbraw/zinc/36/44/68/447364468.db2.gz WVOSLJPFACYWBA-HUUCEWRRSA-N 1 3 341.496 1.354 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000543027389 306060151 /nfs/dbraw/zinc/06/01/51/306060151.db2.gz RNVCSJKAILBFLN-QZTJIDSGSA-N 1 3 330.476 1.704 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)C[C@H](C)O)CC2)CC1 ZINC000553497635 306185749 /nfs/dbraw/zinc/18/57/49/306185749.db2.gz FSEULPCNCWVMKL-CVEARBPZSA-N 1 3 339.524 1.706 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000557139670 306224841 /nfs/dbraw/zinc/22/48/41/306224841.db2.gz NTMILMGYLPBXGU-MSOLQXFVSA-N 1 3 346.475 1.501 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000557214709 306226537 /nfs/dbraw/zinc/22/65/37/306226537.db2.gz HARFHQNNDRRJSD-GOSISDBHSA-N 1 3 348.491 1.441 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000414947697 447369844 /nfs/dbraw/zinc/36/98/44/447369844.db2.gz LBXJBFDPDNPHFD-RDJZCZTQSA-N 1 3 344.459 1.260 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419735716 447382403 /nfs/dbraw/zinc/38/24/03/447382403.db2.gz WFKDQSODXZSKLA-CABCVRRESA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)(CO)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415110887 447389667 /nfs/dbraw/zinc/38/96/67/447389667.db2.gz TUDWGVSXZIEOCT-MAUKXSAKSA-N 1 3 333.476 1.533 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458500512 447390177 /nfs/dbraw/zinc/39/01/77/447390177.db2.gz NYAMTPWFCICGDS-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422184148 447392438 /nfs/dbraw/zinc/39/24/38/447392438.db2.gz XSCYFLVYLJSDMW-ROUUACIJSA-N 1 3 332.492 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000422184148 447392446 /nfs/dbraw/zinc/39/24/46/447392446.db2.gz XSCYFLVYLJSDMW-ROUUACIJSA-N 1 3 332.492 1.895 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422207833 447402912 /nfs/dbraw/zinc/40/29/12/447402912.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422207833 447402917 /nfs/dbraw/zinc/40/29/17/447402917.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@H]1CCCN1CCCO)[NH+]1CCCCC1 ZINC000458642379 447436078 /nfs/dbraw/zinc/43/60/78/447436078.db2.gz IZFCRZSGCTUZEB-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073611262 441332355 /nfs/dbraw/zinc/33/23/55/441332355.db2.gz VHAWBLVSAXFZAS-UHFFFAOYSA-N 1 3 325.497 1.870 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073611262 441332359 /nfs/dbraw/zinc/33/23/59/441332359.db2.gz VHAWBLVSAXFZAS-UHFFFAOYSA-N 1 3 325.497 1.870 20 0 EDADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1CNCC2 ZINC000074532924 441444213 /nfs/dbraw/zinc/44/42/13/441444213.db2.gz PEEQHNMAAMBWOV-UHFFFAOYSA-N 1 3 339.443 1.450 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000074710552 441459082 /nfs/dbraw/zinc/45/90/82/441459082.db2.gz VBINGGGSAVSMNG-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH+](C)C[C@H]1CCN(CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000113512544 441613300 /nfs/dbraw/zinc/61/33/00/441613300.db2.gz SXUVKXKBZNVFPI-OAHLLOKOSA-N 1 3 329.444 1.946 20 0 EDADHO CN(C)S(=O)(=O)CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121617067 441743271 /nfs/dbraw/zinc/74/32/71/441743271.db2.gz GRLJGTKOBPJCKD-UHFFFAOYSA-N 1 3 345.553 1.856 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000158626236 441750123 /nfs/dbraw/zinc/75/01/23/441750123.db2.gz SHXRDXBVCBWSSV-UHFFFAOYSA-N 1 3 330.476 1.526 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC000174181623 441899183 /nfs/dbraw/zinc/89/91/83/441899183.db2.gz NEQPEANABKBDKY-KRWDZBQOSA-N 1 3 344.503 1.900 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC000174181623 441899184 /nfs/dbraw/zinc/89/91/84/441899184.db2.gz NEQPEANABKBDKY-KRWDZBQOSA-N 1 3 344.503 1.900 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1SCCc2ccccc21 ZINC000080061213 442111627 /nfs/dbraw/zinc/11/16/27/442111627.db2.gz PTGDGWVQDRAWSJ-KRWDZBQOSA-N 1 3 335.517 1.969 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCNS(C)(=O)=O)CC1 ZINC000121272916 442198559 /nfs/dbraw/zinc/19/85/59/442198559.db2.gz LRBPASQRCQPWCL-GOEBONIOSA-N 1 3 331.526 1.558 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176014769 442161580 /nfs/dbraw/zinc/16/15/80/442161580.db2.gz PXMKICUDQNLWPT-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C3(C[NH3+])CCCC3)ccc2oc1=O ZINC000166617197 442217524 /nfs/dbraw/zinc/21/75/24/442217524.db2.gz NJNYKAQMBNZAOB-UHFFFAOYSA-N 1 3 346.431 1.614 20 0 EDADHO CN(CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703178 442222175 /nfs/dbraw/zinc/22/21/75/442222175.db2.gz OTXVZMJJQOFVPD-IBGZPJMESA-N 1 3 344.503 1.405 20 0 EDADHO C[C@]1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000168749116 442225472 /nfs/dbraw/zinc/22/54/72/442225472.db2.gz UPWRKGJJBDVWNK-IBGZPJMESA-N 1 3 344.459 1.450 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000186693955 442593076 /nfs/dbraw/zinc/59/30/76/442593076.db2.gz RJEVYSQSUWKQIM-JKSUJKDBSA-N 1 3 338.496 1.004 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000173266460 442635747 /nfs/dbraw/zinc/63/57/47/442635747.db2.gz CULKCTTVDZGBCX-SJORKVTESA-N 1 3 344.459 1.543 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187411004 442674873 /nfs/dbraw/zinc/67/48/73/442674873.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187411004 442674876 /nfs/dbraw/zinc/67/48/76/442674876.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181613757 442706871 /nfs/dbraw/zinc/70/68/71/442706871.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 1 3 348.491 1.393 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181613757 442706873 /nfs/dbraw/zinc/70/68/73/442706873.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[N@H+](C)Cc1ccccc1 ZINC000188770052 442809128 /nfs/dbraw/zinc/80/91/28/442809128.db2.gz TZCXKFVHOUUXGU-CYBMUJFWSA-N 1 3 327.432 1.306 20 0 EDADHO C[C@H](CNC(=O)c1[nH]nc2c1CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000188770052 442809134 /nfs/dbraw/zinc/80/91/34/442809134.db2.gz TZCXKFVHOUUXGU-CYBMUJFWSA-N 1 3 327.432 1.306 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000167414867 318429513 /nfs/dbraw/zinc/42/95/13/318429513.db2.gz PEUOSFKDHDMDPY-UHFFFAOYSA-N 1 3 333.476 1.648 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184606967 443048509 /nfs/dbraw/zinc/04/85/09/443048509.db2.gz GNVOKXWXNIILJO-NXHRZFHOSA-N 1 3 333.476 1.641 20 0 EDADHO CN1CCC(NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000266118843 443024245 /nfs/dbraw/zinc/02/42/45/443024245.db2.gz OPOJYSLMGFZCNT-UHFFFAOYSA-N 1 3 330.476 1.479 20 0 EDADHO CCOCCNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189957762 443037318 /nfs/dbraw/zinc/03/73/18/443037318.db2.gz CZYSNPHUOOTCLE-IRXDYDNUSA-N 1 3 347.503 1.885 20 0 EDADHO CC[NH+](CC)CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266308874 443093459 /nfs/dbraw/zinc/09/34/59/443093459.db2.gz SJJVKTXHEGKETN-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CNC(=O)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184744920 443070482 /nfs/dbraw/zinc/07/04/82/443070482.db2.gz WNBQLTZJEJYQPS-ZIAGYGMSSA-N 1 3 332.448 1.188 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCN1C ZINC000269055313 443185035 /nfs/dbraw/zinc/18/50/35/443185035.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 1 3 331.504 1.942 20 0 EDADHO COCCN1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000299238896 318891783 /nfs/dbraw/zinc/89/17/83/318891783.db2.gz JECGNCBMRBEGEV-UHFFFAOYSA-N 1 3 349.475 1.468 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262346314 443190951 /nfs/dbraw/zinc/19/09/51/443190951.db2.gz INQNHHVBPVPLQP-HNAYVOBHSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000262417676 443193718 /nfs/dbraw/zinc/19/37/18/443193718.db2.gz ZUGYUMKVYRWZHQ-HOTGVXAUSA-N 1 3 333.480 1.341 20 0 EDADHO C[C@@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)C1C[NH2+]C1 ZINC000262473746 443195871 /nfs/dbraw/zinc/19/58/71/443195871.db2.gz YNYZTPWKGYFCFS-UKRRQHHQSA-N 1 3 344.459 1.178 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000383719864 319125982 /nfs/dbraw/zinc/12/59/82/319125982.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 1 3 331.504 1.753 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000383719864 319125984 /nfs/dbraw/zinc/12/59/84/319125984.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 1 3 331.504 1.753 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411126857 319166760 /nfs/dbraw/zinc/16/67/60/319166760.db2.gz QEGPYTZPBKAYLL-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000266816823 443253462 /nfs/dbraw/zinc/25/34/62/443253462.db2.gz HFHDOFLLKXCXRT-IBGZPJMESA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000266816823 443253465 /nfs/dbraw/zinc/25/34/65/443253465.db2.gz HFHDOFLLKXCXRT-IBGZPJMESA-N 1 3 344.503 1.718 20 0 EDADHO C[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287697 /nfs/dbraw/zinc/28/76/97/319287697.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 1 3 338.540 1.780 20 0 EDADHO C[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287699 /nfs/dbraw/zinc/28/76/99/319287699.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 1 3 338.540 1.780 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414190589 319318598 /nfs/dbraw/zinc/31/85/98/319318598.db2.gz KQFJYRQQIZUNAR-DLBZAZTESA-N 1 3 339.524 1.576 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC000414675269 319339834 /nfs/dbraw/zinc/33/98/34/319339834.db2.gz FNXYAKWHOJNMCI-HNNXBMFYSA-N 1 3 331.460 1.769 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000414675670 319340123 /nfs/dbraw/zinc/34/01/23/319340123.db2.gz GKJDPCSMGIECNE-MRXNPFEDSA-N 1 3 332.448 1.321 20 0 EDADHO COCCN1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264433493 443290044 /nfs/dbraw/zinc/29/00/44/443290044.db2.gz AXBRXVYRMCUEKD-IBGZPJMESA-N 1 3 345.487 1.736 20 0 EDADHO C[C@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000269472079 443316910 /nfs/dbraw/zinc/31/69/10/443316910.db2.gz YEXVEUPQNYSBNN-IBGZPJMESA-N 1 3 345.491 1.100 20 0 EDADHO NC[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499807 319502569 /nfs/dbraw/zinc/50/25/69/319502569.db2.gz NFTCZHLUTLNQHJ-IRXDYDNUSA-N 1 3 328.416 1.209 20 0 EDADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000418684528 319511318 /nfs/dbraw/zinc/51/13/18/319511318.db2.gz LEKJKLXXTBGVMZ-OKZBNKHCSA-N 1 3 326.444 1.398 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326154 319610112 /nfs/dbraw/zinc/61/01/12/319610112.db2.gz XDSLKYPHWOBLKQ-QZTJIDSGSA-N 1 3 336.524 1.395 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000279045423 443499729 /nfs/dbraw/zinc/49/97/29/443499729.db2.gz OTSMGMQQDSURTM-IBGZPJMESA-N 1 3 345.487 1.913 20 0 EDADHO COc1ccc(C[C@@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423136153 319752449 /nfs/dbraw/zinc/75/24/49/319752449.db2.gz GYVRQPHWSBDQSA-QDXKRRSBSA-N 1 3 334.460 1.870 20 0 EDADHO [NH3+]CCc1nc(C(=O)NCC2(N3CCCC3)CCOCC2)cs1 ZINC000279901693 443637911 /nfs/dbraw/zinc/63/79/11/443637911.db2.gz JWLUNWOEXZFQQZ-UHFFFAOYSA-N 1 3 338.477 1.019 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454096303 320284109 /nfs/dbraw/zinc/28/41/09/320284109.db2.gz NWKJEKORORQZCS-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000454096303 320284111 /nfs/dbraw/zinc/28/41/11/320284111.db2.gz NWKJEKORORQZCS-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000458788745 320341432 /nfs/dbraw/zinc/34/14/32/320341432.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000458788745 320341433 /nfs/dbraw/zinc/34/14/33/320341433.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458792733 320341713 /nfs/dbraw/zinc/34/17/13/320341713.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 1 3 341.544 1.430 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000458792733 320341714 /nfs/dbraw/zinc/34/17/14/320341714.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 1 3 341.544 1.430 20 0 EDADHO O=C1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCCN12 ZINC000515346059 320432630 /nfs/dbraw/zinc/43/26/30/320432630.db2.gz KEXBDXTYFLZWGS-TVKQPGBESA-N 1 3 341.455 1.985 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC000276424198 443701470 /nfs/dbraw/zinc/70/14/70/443701470.db2.gz GQERNXJQLXXFKL-OAHLLOKOSA-N 1 3 332.448 1.364 20 0 EDADHO COc1cc2[nH+]ccc(NC[C@H]3CN(C)CCN3C)c2cc1OC ZINC000298252975 443730816 /nfs/dbraw/zinc/73/08/16/443730816.db2.gz NGTNTCHKUJHDAC-ZDUSSCGKSA-N 1 3 330.432 1.910 20 0 EDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1(C)C ZINC000538547127 320745181 /nfs/dbraw/zinc/74/51/81/320745181.db2.gz WHINKTAWIVAVPN-XHSDSOJGSA-N 1 3 327.513 1.872 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000562995037 321086690 /nfs/dbraw/zinc/08/66/90/321086690.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000562995037 321086691 /nfs/dbraw/zinc/08/66/91/321086691.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000562995037 321086693 /nfs/dbraw/zinc/08/66/93/321086693.db2.gz GXXSBTILVVQVDM-XLIONFOSSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000563075150 321093977 /nfs/dbraw/zinc/09/39/77/321093977.db2.gz YHPXHRKZOHYTLO-RDTXWAMCSA-N 1 3 331.460 1.258 20 0 EDADHO CNC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563932221 321116151 /nfs/dbraw/zinc/11/61/51/321116151.db2.gz VCWMABJCIPPLBS-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000567522651 321244861 /nfs/dbraw/zinc/24/48/61/321244861.db2.gz WPCAUWRCBHEEAX-ROUUACIJSA-N 1 3 332.492 1.928 20 0 EDADHO CCN(Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1)C1CC1 ZINC000567587564 321247419 /nfs/dbraw/zinc/24/74/19/321247419.db2.gz SFCJSTSNTFUATA-SFHVURJKSA-N 1 3 330.476 1.304 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)C(C)(C)O)CC2)CC1 ZINC000568230243 321283399 /nfs/dbraw/zinc/28/33/99/321283399.db2.gz UPVLMPYPVCBMHZ-HNNXBMFYSA-N 1 3 339.524 1.801 20 0 EDADHO CN(CCNC(=O)c1ccn(CC[NH+](C)C)n1)Cc1ccccc1 ZINC000568410293 321290796 /nfs/dbraw/zinc/29/07/96/321290796.db2.gz HPTLCDFKDZKWEL-UHFFFAOYSA-N 1 3 329.448 1.307 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](COC)C3CC3)CC2)CC1 ZINC000568765201 321305292 /nfs/dbraw/zinc/30/52/92/321305292.db2.gz VNRIJJCQWMUTOU-GOSISDBHSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000289309599 444103198 /nfs/dbraw/zinc/10/31/98/444103198.db2.gz DWRJXXMBVGHGGV-WMZOPIPTSA-N 1 3 340.471 1.962 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000289309599 444103200 /nfs/dbraw/zinc/10/32/00/444103200.db2.gz DWRJXXMBVGHGGV-WMZOPIPTSA-N 1 3 340.471 1.962 20 0 EDADHO CC1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030090 321368184 /nfs/dbraw/zinc/36/81/84/321368184.db2.gz RUZZWLBUCCMIFX-QGZVFWFLSA-N 1 3 330.476 1.950 20 0 EDADHO CN1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000571557320 321392389 /nfs/dbraw/zinc/39/23/89/321392389.db2.gz ZGMVARQGBVNHQO-KRWDZBQOSA-N 1 3 330.476 1.363 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000289931215 444221053 /nfs/dbraw/zinc/22/10/53/444221053.db2.gz OJCMKSNKPQDCPW-MRXNPFEDSA-N 1 3 347.459 1.220 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000576730006 321591581 /nfs/dbraw/zinc/59/15/81/321591581.db2.gz TVZUYHYYDLIVSC-INIZCTEOSA-N 1 3 331.464 1.597 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000576848711 321601649 /nfs/dbraw/zinc/60/16/49/321601649.db2.gz POBMJTIBQNYZHN-MRXNPFEDSA-N 1 3 344.503 1.856 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235529 /nfs/dbraw/zinc/23/55/29/444235529.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235532 /nfs/dbraw/zinc/23/55/32/444235532.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000303235236 444235535 /nfs/dbraw/zinc/23/55/35/444235535.db2.gz ZJBOBQFDRRNQJY-NUJGCVRESA-N 1 3 327.513 1.261 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cn1cccn1 ZINC000310816975 444292931 /nfs/dbraw/zinc/29/29/31/444292931.db2.gz JEQNRQAXAJGVHC-ZGXWSNOMSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cn1cccn1 ZINC000310816975 444292934 /nfs/dbraw/zinc/29/29/34/444292934.db2.gz JEQNRQAXAJGVHC-ZGXWSNOMSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cn1cccn1 ZINC000310816975 444292937 /nfs/dbraw/zinc/29/29/37/444292937.db2.gz JEQNRQAXAJGVHC-ZGXWSNOMSA-N 1 3 340.471 1.744 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)N1CCN(C)CC1 ZINC000326442133 444374760 /nfs/dbraw/zinc/37/47/60/444374760.db2.gz WUEZMBNOWAAMKK-ZWKOTPCHSA-N 1 3 338.540 1.672 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)C2)CC1 ZINC000579588279 321950989 /nfs/dbraw/zinc/95/09/89/321950989.db2.gz HCKANDOBBPFBCD-LPHOPBHVSA-N 1 3 344.503 1.947 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000580881053 322107222 /nfs/dbraw/zinc/10/72/22/322107222.db2.gz DGMBXRDPGXGVHF-INIZCTEOSA-N 1 3 348.447 1.401 20 0 EDADHO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000580881053 322107225 /nfs/dbraw/zinc/10/72/25/322107225.db2.gz DGMBXRDPGXGVHF-INIZCTEOSA-N 1 3 348.447 1.401 20 0 EDADHO CC[N@H+](CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC1 ZINC000341080949 444663442 /nfs/dbraw/zinc/66/34/42/444663442.db2.gz IBNYNYUPVSRPBL-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC1 ZINC000341080949 444663446 /nfs/dbraw/zinc/66/34/46/444663446.db2.gz IBNYNYUPVSRPBL-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO Cc1ccc(C[NH2+]C[C@@H](O)CN2CCCC2)c(-c2ccnn2C)c1 ZINC000338438557 444696190 /nfs/dbraw/zinc/69/61/90/444696190.db2.gz RHXOTDOLPGXMMX-QGZVFWFLSA-N 1 3 328.460 1.942 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341274040 444757825 /nfs/dbraw/zinc/75/78/25/444757825.db2.gz LFCNAYXXPPXCLJ-KRWDZBQOSA-N 1 3 331.464 1.479 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341274040 444757828 /nfs/dbraw/zinc/75/78/28/444757828.db2.gz LFCNAYXXPPXCLJ-KRWDZBQOSA-N 1 3 331.464 1.479 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342889264 444921152 /nfs/dbraw/zinc/92/11/52/444921152.db2.gz FJPFBENGLDQKCX-HNNXBMFYSA-N 1 3 331.460 1.841 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000342889264 444921156 /nfs/dbraw/zinc/92/11/56/444921156.db2.gz FJPFBENGLDQKCX-HNNXBMFYSA-N 1 3 331.460 1.841 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067507 445017503 /nfs/dbraw/zinc/01/75/03/445017503.db2.gz LBNLHMWBQCTWLM-HUUCEWRRSA-N 1 3 334.464 1.458 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067507 445017505 /nfs/dbraw/zinc/01/75/05/445017505.db2.gz LBNLHMWBQCTWLM-HUUCEWRRSA-N 1 3 334.464 1.458 20 0 EDADHO CNC(=O)C[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)c1ccccc1 ZINC000337462889 445092027 /nfs/dbraw/zinc/09/20/27/445092027.db2.gz LGKPWXXRUJYEBF-LJQANCHMSA-N 1 3 346.519 1.870 20 0 EDADHO CNC(=O)c1ccn([C@H]2CCC[N@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000343354393 445207963 /nfs/dbraw/zinc/20/79/63/445207963.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 1 3 333.480 1.754 20 0 EDADHO CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC[C@@H]3CCCCN3C)C2)n1 ZINC000343354393 445207964 /nfs/dbraw/zinc/20/79/64/445207964.db2.gz IWSUUXWAAURXTL-HOTGVXAUSA-N 1 3 333.480 1.754 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000345874442 445201087 /nfs/dbraw/zinc/20/10/87/445201087.db2.gz FYWFFQVPEIAMLJ-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)N(C)C[C@H]2C[C@H](OC)CN2C)CC1 ZINC000347529616 445241899 /nfs/dbraw/zinc/24/18/99/445241899.db2.gz ZQMMRLQRNBACJG-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)N(C)C1 ZINC000347676087 445244625 /nfs/dbraw/zinc/24/46/25/445244625.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)N(C)C1 ZINC000347676087 445244626 /nfs/dbraw/zinc/24/46/26/445244626.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 1 3 340.512 1.467 20 0 EDADHO O=C1CCCN1C[C@@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250037 /nfs/dbraw/zinc/25/00/37/445250037.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 1 3 343.471 1.034 20 0 EDADHO O=C1CCCN1C[C@@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304596 445250040 /nfs/dbraw/zinc/25/00/40/445250040.db2.gz HQWWKUQQWKAMSX-OTWHNJEPSA-N 1 3 343.471 1.034 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CN(C)C[C@H]3C)cc2)CC1 ZINC000343587722 445252720 /nfs/dbraw/zinc/25/27/20/445252720.db2.gz FOWNVHSHDANETC-XLIONFOSSA-N 1 3 330.520 1.864 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000359665056 445365230 /nfs/dbraw/zinc/36/52/30/445365230.db2.gz VELOFSSRVSSVIN-UHFFFAOYSA-N 1 3 348.491 1.528 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354754906 445367748 /nfs/dbraw/zinc/36/77/48/445367748.db2.gz LZXPHSDXVFSTLY-OAHLLOKOSA-N 1 3 332.448 1.253 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000352052211 445460209 /nfs/dbraw/zinc/46/02/09/445460209.db2.gz IZCZMSFGLCWIAI-DLBZAZTESA-N 1 3 326.529 1.543 20 0 EDADHO CCC[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704502 445509600 /nfs/dbraw/zinc/50/96/00/445509600.db2.gz JPPIPASNCIDROF-USXIJHARSA-N 1 3 335.496 1.650 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353635927 445685300 /nfs/dbraw/zinc/68/53/00/445685300.db2.gz NXNBJHACDYPRDL-MSOLQXFVSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCOCCN(C)C ZINC000353688046 445708298 /nfs/dbraw/zinc/70/82/98/445708298.db2.gz NWOBDXBJMFWFKP-CQSZACIVSA-N 1 3 333.432 1.229 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312412 445762285 /nfs/dbraw/zinc/76/22/85/445762285.db2.gz KVJBYPVVLIXZCC-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C3CC3)C2)CC1 ZINC000350087549 445764775 /nfs/dbraw/zinc/76/47/75/445764775.db2.gz JHJGEBCOYFCIGS-KRWDZBQOSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)C[C@H](NCc1c[nH]c2nccnc12)C(=O)NCC[NH+](C)C ZINC000356443073 445792014 /nfs/dbraw/zinc/79/20/14/445792014.db2.gz VNYPNERBVDAMDN-AWEZNQCLSA-N 1 3 332.452 1.092 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)NCCOCC[NH+](C)C ZINC000359001702 445882178 /nfs/dbraw/zinc/88/21/78/445882178.db2.gz JYUBLRCQFNPBLM-AWEZNQCLSA-N 1 3 343.493 1.180 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356610631 445884388 /nfs/dbraw/zinc/88/43/88/445884388.db2.gz UNUQLGKZWPILJN-ZWKOTPCHSA-N 1 3 338.540 1.593 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356610631 445884391 /nfs/dbraw/zinc/88/43/91/445884391.db2.gz UNUQLGKZWPILJN-ZWKOTPCHSA-N 1 3 338.540 1.593 20 0 EDADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000361727848 445901337 /nfs/dbraw/zinc/90/13/37/445901337.db2.gz MTWUQDPMEIUYMM-MRXNPFEDSA-N 1 3 346.479 1.293 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000373102504 446028757 /nfs/dbraw/zinc/02/87/57/446028757.db2.gz AHYRENMZJIQGOX-IAGOWNOFSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@@H](N)c1ccccc1 ZINC000583203662 326026178 /nfs/dbraw/zinc/02/61/78/326026178.db2.gz QCQWDLJEBARKRG-LIRZEXBASA-N 1 3 331.460 1.677 20 0 EDADHO CN1CCN(CCC[NH2+]Cc2cnccn2)[C@@H](c2ccccc2)C1 ZINC000583249016 326033007 /nfs/dbraw/zinc/03/30/07/326033007.db2.gz ZNLCVCFAADTONT-LJQANCHMSA-N 1 3 325.460 1.945 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000583386370 326063381 /nfs/dbraw/zinc/06/33/81/326063381.db2.gz UDPYTIFCOZLIPD-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CO[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000359229040 446058647 /nfs/dbraw/zinc/05/86/47/446058647.db2.gz HOUHRTRHJQROON-MSOLQXFVSA-N 1 3 331.460 1.861 20 0 EDADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCOC1 ZINC000356848929 446067865 /nfs/dbraw/zinc/06/78/65/446067865.db2.gz PIOKNRGENPWNDV-YJBOKZPZSA-N 1 3 333.476 1.883 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662658 446143415 /nfs/dbraw/zinc/14/34/15/446143415.db2.gz HUQSCVIWMSZYPM-HNNXBMFYSA-N 1 3 348.495 2.146 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000373299648 446152555 /nfs/dbraw/zinc/15/25/55/446152555.db2.gz AFEQUJVFVHBBGS-HOTGVXAUSA-N 1 3 332.448 1.379 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000373299648 446152559 /nfs/dbraw/zinc/15/25/59/446152559.db2.gz AFEQUJVFVHBBGS-HOTGVXAUSA-N 1 3 332.448 1.379 20 0 EDADHO CC[C@@H](C)[C@@H](N)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366329872 446156191 /nfs/dbraw/zinc/15/61/91/446156191.db2.gz ZKAPHPSQSIVJMN-CRAIPNDOSA-N 1 3 338.540 1.672 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453621 446215899 /nfs/dbraw/zinc/21/58/99/446215899.db2.gz XVMDOGJHDRSECT-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453621 446215901 /nfs/dbraw/zinc/21/59/01/446215901.db2.gz XVMDOGJHDRSECT-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000370300122 446221188 /nfs/dbraw/zinc/22/11/88/446221188.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000370300122 446221194 /nfs/dbraw/zinc/22/11/94/446221194.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO C[C@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000365550823 446250889 /nfs/dbraw/zinc/25/08/89/446250889.db2.gz UWVURAFCBUUQDX-OAHLLOKOSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000365550823 446250894 /nfs/dbraw/zinc/25/08/94/446250894.db2.gz UWVURAFCBUUQDX-OAHLLOKOSA-N 1 3 330.476 1.893 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000359526527 446276703 /nfs/dbraw/zinc/27/67/03/446276703.db2.gz VHOYMHCZVQARGA-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000359526527 446276707 /nfs/dbraw/zinc/27/67/07/446276707.db2.gz VHOYMHCZVQARGA-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417505608 446356973 /nfs/dbraw/zinc/35/69/73/446356973.db2.gz OOPMGWLEJBKGEF-YQVWRLOYSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417505608 446356977 /nfs/dbraw/zinc/35/69/77/446356977.db2.gz OOPMGWLEJBKGEF-YQVWRLOYSA-N 1 3 344.503 1.943 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@H]2C)[C@@H](C)C1 ZINC000417667719 446369416 /nfs/dbraw/zinc/36/94/16/446369416.db2.gz HJYNZUADLFSDCR-NXOAAHMSSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@H]2C)[C@@H](C)C1 ZINC000417667719 446369420 /nfs/dbraw/zinc/36/94/20/446369420.db2.gz HJYNZUADLFSDCR-NXOAAHMSSA-N 1 3 340.512 1.515 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)N2CCNC[C@H]2c2ccccc2)CC1 ZINC000417824986 446373873 /nfs/dbraw/zinc/37/38/73/446373873.db2.gz ATSJCAUPPOUTLE-SFHVURJKSA-N 1 3 330.476 1.363 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417897795 446379933 /nfs/dbraw/zinc/37/99/33/446379933.db2.gz XAHTXWBGTMPEKV-GOSISDBHSA-N 1 3 347.507 1.838 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417897795 446379940 /nfs/dbraw/zinc/37/99/40/446379940.db2.gz XAHTXWBGTMPEKV-GOSISDBHSA-N 1 3 347.507 1.838 20 0 EDADHO CC(C)OC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370691673 446389361 /nfs/dbraw/zinc/38/93/61/446389361.db2.gz QFLPFWDAEKBLFI-SFHVURJKSA-N 1 3 327.513 1.263 20 0 EDADHO Cc1ncc2n1CC[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C2 ZINC000365893275 446392432 /nfs/dbraw/zinc/39/24/32/446392432.db2.gz XCHKASIKWYSFST-INIZCTEOSA-N 1 3 347.507 1.238 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)ccn1 ZINC000417947978 446395964 /nfs/dbraw/zinc/39/59/64/446395964.db2.gz IMDNIJGOGLAFBZ-GOSISDBHSA-N 1 3 349.479 1.211 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953195 446398096 /nfs/dbraw/zinc/39/80/96/446398096.db2.gz ZBPFBIMTURDKFB-MELADBBJSA-N 1 3 326.391 1.714 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417369515 446349559 /nfs/dbraw/zinc/34/95/59/446349559.db2.gz SGHWOXHDLMODEB-WBVHZDCISA-N 1 3 348.491 1.944 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418101690 446440980 /nfs/dbraw/zinc/44/09/80/446440980.db2.gz GHTNXQGLYXYOBK-FHWLQOOXSA-N 1 3 342.487 1.759 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1 ZINC000420268972 446441388 /nfs/dbraw/zinc/44/13/88/446441388.db2.gz HHVUADUHUUEJRJ-CYBMUJFWSA-N 1 3 333.432 1.149 20 0 EDADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171720 446445360 /nfs/dbraw/zinc/44/53/60/446445360.db2.gz VJFNMUXMHRJMGJ-KGLIPLIRSA-N 1 3 336.436 1.093 20 0 EDADHO CCS(=O)(=O)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184775 446448202 /nfs/dbraw/zinc/44/82/02/446448202.db2.gz NJEARGZDQJJLAZ-NVXWUHKLSA-N 1 3 338.473 1.657 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418003974 446412881 /nfs/dbraw/zinc/41/28/81/446412881.db2.gz ZEPNNJIYNSJILE-ZWKOTPCHSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418007764 446413426 /nfs/dbraw/zinc/41/34/26/446413426.db2.gz GOKUKAWGRNZHFH-CBZIJGRNSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418007764 446413429 /nfs/dbraw/zinc/41/34/29/446413429.db2.gz GOKUKAWGRNZHFH-CBZIJGRNSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccncc2OCCN(C)C)[C@@H](C[NH3+])C1 ZINC000418192237 446456016 /nfs/dbraw/zinc/45/60/16/446456016.db2.gz MEEFSTMQGURTOM-GDBMZVCRSA-N 1 3 349.479 1.291 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418192231 446456057 /nfs/dbraw/zinc/45/60/57/446456057.db2.gz MDJKYQSSUJZHTJ-QXCFHYIPSA-N 1 3 342.487 1.900 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420296071 446459619 /nfs/dbraw/zinc/45/96/19/446459619.db2.gz CZINSCMQMIKAMH-INIZCTEOSA-N 1 3 339.505 1.595 20 0 EDADHO c1csc(-c2noc(CN3CCN(CC[C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000420298168 446461188 /nfs/dbraw/zinc/46/11/88/446461188.db2.gz GXYBASORIUWGRO-CQSZACIVSA-N 1 3 347.488 1.915 20 0 EDADHO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262391 446469047 /nfs/dbraw/zinc/46/90/47/446469047.db2.gz MIGLRJPEZTWGAR-BLLLJJGKSA-N 1 3 325.478 1.892 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)[C@H](C[NH3+])C1 ZINC000418243303 446471657 /nfs/dbraw/zinc/47/16/57/446471657.db2.gz WESNUHPNCPEZFB-ULQDDVLXSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423319194 446486911 /nfs/dbraw/zinc/48/69/11/446486911.db2.gz DCKRREWGDUQRSV-PMPSAXMXSA-N 1 3 347.507 1.880 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423365493 446503172 /nfs/dbraw/zinc/50/31/72/446503172.db2.gz KFHYNADRTHBTTF-LJGDNWOOSA-N 1 3 339.430 1.767 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365493 446503178 /nfs/dbraw/zinc/50/31/78/446503178.db2.gz KFHYNADRTHBTTF-LJGDNWOOSA-N 1 3 339.430 1.767 20 0 EDADHO Cn1cc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423392135 446515614 /nfs/dbraw/zinc/51/56/14/446515614.db2.gz XLXNHRQHPYLWTB-LSDHHAIUSA-N 1 3 345.491 1.634 20 0 EDADHO C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000423356205 446498117 /nfs/dbraw/zinc/49/81/17/446498117.db2.gz JNUUCOFJYIHUSH-HZPDHXFCSA-N 1 3 347.507 1.737 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331502 446500463 /nfs/dbraw/zinc/50/04/63/446500463.db2.gz CBUCBLWURDVLEV-BQFCYCMXSA-N 1 3 343.471 1.948 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418480953 446558908 /nfs/dbraw/zinc/55/89/08/446558908.db2.gz DCOHIIBXNWRAKW-KRWDZBQOSA-N 1 3 347.507 1.040 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCCCC[N@H+](C)C1CC1 ZINC000453599505 446568348 /nfs/dbraw/zinc/56/83/48/446568348.db2.gz RMVCTGHIRMMMLY-UHFFFAOYSA-N 1 3 335.496 1.529 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCCCC[N@@H+](C)C1CC1 ZINC000453599505 446568356 /nfs/dbraw/zinc/56/83/56/446568356.db2.gz RMVCTGHIRMMMLY-UHFFFAOYSA-N 1 3 335.496 1.529 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423425505 446531475 /nfs/dbraw/zinc/53/14/75/446531475.db2.gz MHNAMAKNJONTDW-CVEARBPZSA-N 1 3 347.507 1.881 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CCCCN1CCO ZINC000418440737 446543944 /nfs/dbraw/zinc/54/39/44/446543944.db2.gz HQBKPBSVFRCNHE-QGZVFWFLSA-N 1 3 340.512 1.445 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000418454073 446548766 /nfs/dbraw/zinc/54/87/66/446548766.db2.gz AQHGKPKONQBTBV-AWEZNQCLSA-N 1 3 335.452 1.439 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418613381 446616071 /nfs/dbraw/zinc/61/60/71/446616071.db2.gz JSFNWJHMPPBAAU-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574418 446601144 /nfs/dbraw/zinc/60/11/44/446601144.db2.gz VJLFEESETJVSPC-XJKSGUPXSA-N 1 3 340.418 1.613 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423748816 446677986 /nfs/dbraw/zinc/67/79/86/446677986.db2.gz QUPINTKZKBRARG-KKUMJFAQSA-N 1 3 327.469 1.236 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418737788 446661781 /nfs/dbraw/zinc/66/17/81/446661781.db2.gz WCIAULPDGMBTCZ-WBVHZDCISA-N 1 3 333.480 1.815 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000368155401 446674382 /nfs/dbraw/zinc/67/43/82/446674382.db2.gz NQWGFYXCSTVASP-SFHVURJKSA-N 1 3 342.487 1.457 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418774728 446692520 /nfs/dbraw/zinc/69/25/20/446692520.db2.gz VVTXTTJFZIEXFN-UONOGXRCSA-N 1 3 348.438 1.126 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767228 446693967 /nfs/dbraw/zinc/69/39/67/446693967.db2.gz ABCJWHSWKOJRFI-JYPHPWERSA-N 1 3 345.487 1.910 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418794087 446706107 /nfs/dbraw/zinc/70/61/07/446706107.db2.gz QTTXRBORBPOGPP-QGZVFWFLSA-N 1 3 348.491 1.575 20 0 EDADHO CN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776431 446711596 /nfs/dbraw/zinc/71/15/96/446711596.db2.gz HWPMMDQQVMFTLU-HODAJMAFSA-N 1 3 336.480 1.116 20 0 EDADHO CN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776431 446711600 /nfs/dbraw/zinc/71/16/00/446711600.db2.gz HWPMMDQQVMFTLU-HODAJMAFSA-N 1 3 336.480 1.116 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000376777652 446713938 /nfs/dbraw/zinc/71/39/38/446713938.db2.gz LLYNRYFCHJVSEI-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)CCCC1 ZINC000418835717 446740463 /nfs/dbraw/zinc/74/04/63/446740463.db2.gz ZONRVYGMVOWRMA-MRXNPFEDSA-N 1 3 346.475 1.041 20 0 EDADHO COC(=O)CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375454270 446810936 /nfs/dbraw/zinc/81/09/36/446810936.db2.gz JEDUHDICZZERPQ-QGPMSJSTSA-N 1 3 347.459 1.337 20 0 EDADHO O[C@@H]1CN(Cc2ccc(C[N@@H+]3C[C@@H](O)C4(CC4)C3)cc2)CC12CC2 ZINC000368411816 446845711 /nfs/dbraw/zinc/84/57/11/446845711.db2.gz PHMQHFPEHFXEKH-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@@H]1CN(Cc2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)cc2)CC12CC2 ZINC000368411816 446845716 /nfs/dbraw/zinc/84/57/16/446845716.db2.gz PHMQHFPEHFXEKH-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO CN(C)C1(CNc2nc(NCC3([NH+](C)C)CC3)cc(C3CC3)n2)CC1 ZINC000419010492 446865689 /nfs/dbraw/zinc/86/56/89/446865689.db2.gz PZGZTNACFOOJPW-UHFFFAOYSA-N 1 3 344.507 1.210 20 0 EDADHO C[C@H]1CN(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)CCO1 ZINC000375593337 446911388 /nfs/dbraw/zinc/91/13/88/446911388.db2.gz XJNQIKLXQZGPPD-KRWDZBQOSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@H]1CN(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)CCO1 ZINC000375593337 446911394 /nfs/dbraw/zinc/91/13/94/446911394.db2.gz XJNQIKLXQZGPPD-KRWDZBQOSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610686 446914822 /nfs/dbraw/zinc/91/48/22/446914822.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000442610686 446914824 /nfs/dbraw/zinc/91/48/24/446914824.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 1 3 339.528 1.137 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419125800 446938451 /nfs/dbraw/zinc/93/84/51/446938451.db2.gz USLJKCBIINSMOW-GJZGRUSLSA-N 1 3 326.485 1.001 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099677 447000364 /nfs/dbraw/zinc/00/03/64/447000364.db2.gz XOQWTFXUGCPAOF-DZGCQCFKSA-N 1 3 337.489 1.626 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000413102132 447002277 /nfs/dbraw/zinc/00/22/77/447002277.db2.gz VBUWQGLISSNMDO-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377283521 447039333 /nfs/dbraw/zinc/03/93/33/447039333.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 1 3 340.512 1.397 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377283521 447039336 /nfs/dbraw/zinc/03/93/36/447039336.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 1 3 340.512 1.397 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C1(C)C ZINC000372495839 447088892 /nfs/dbraw/zinc/08/88/92/447088892.db2.gz ISAGCNBVHAZOAW-NNFUDEMPSA-N 1 3 349.450 1.611 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851125 447098882 /nfs/dbraw/zinc/09/88/82/447098882.db2.gz KSKPQTWANOJHIA-RBSFLKMASA-N 1 3 329.452 1.307 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851125 447098891 /nfs/dbraw/zinc/09/88/91/447098891.db2.gz KSKPQTWANOJHIA-RBSFLKMASA-N 1 3 329.452 1.307 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375897807 447130138 /nfs/dbraw/zinc/13/01/38/447130138.db2.gz LSSWVGXANAOZBS-KURKYZTESA-N 1 3 331.460 1.887 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375897807 447130144 /nfs/dbraw/zinc/13/01/44/447130144.db2.gz LSSWVGXANAOZBS-KURKYZTESA-N 1 3 331.460 1.887 20 0 EDADHO CN(C)CCN(C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000377437181 447132972 /nfs/dbraw/zinc/13/29/72/447132972.db2.gz ATDFQGLNQHAFGF-MRXNPFEDSA-N 1 3 333.480 1.508 20 0 EDADHO CN(C(=O)NCCCn1ccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368924324 447205126 /nfs/dbraw/zinc/20/51/26/447205126.db2.gz KEMCKOPLMWYEFN-KRWDZBQOSA-N 1 3 348.495 1.083 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212355 /nfs/dbraw/zinc/21/23/55/447212355.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212359 /nfs/dbraw/zinc/21/23/59/447212359.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212363 /nfs/dbraw/zinc/21/23/63/447212363.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212370 /nfs/dbraw/zinc/21/23/70/447212370.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 1 3 336.520 1.951 20 0 EDADHO CC[C@@H](C(=O)N1[C@H](C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000413721464 447228804 /nfs/dbraw/zinc/22/88/04/447228804.db2.gz JNGQFVVEHHPKDZ-FZKCQIBNSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)N(C)C ZINC000413721464 447228810 /nfs/dbraw/zinc/22/88/10/447228810.db2.gz JNGQFVVEHHPKDZ-FZKCQIBNSA-N 1 3 340.512 1.115 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264349 /nfs/dbraw/zinc/26/43/49/447264349.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 1 3 334.508 1.987 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264355 /nfs/dbraw/zinc/26/43/55/447264355.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 1 3 334.508 1.987 20 0 EDADHO COC[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000379666288 447453557 /nfs/dbraw/zinc/45/35/57/447453557.db2.gz VTXTVOVNILKGNH-QUCCMNQESA-N 1 3 345.487 1.783 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C ZINC000419920164 447491085 /nfs/dbraw/zinc/49/10/85/447491085.db2.gz WMLQBOGBFJBHBX-PVAVHDDUSA-N 1 3 346.475 1.134 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@H]1C ZINC000419920164 447491091 /nfs/dbraw/zinc/49/10/91/447491091.db2.gz WMLQBOGBFJBHBX-PVAVHDDUSA-N 1 3 346.475 1.134 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000415515106 447491165 /nfs/dbraw/zinc/49/11/65/447491165.db2.gz CYRQJMVMLAVUQW-GDBMZVCRSA-N 1 3 346.475 1.663 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCCCN1CCO ZINC000458863486 447491570 /nfs/dbraw/zinc/49/15/70/447491570.db2.gz YSYHSDQVKCKRMX-KRWDZBQOSA-N 1 3 340.512 1.399 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419930119 447497397 /nfs/dbraw/zinc/49/73/97/447497397.db2.gz NRFLXFGGMMUOTA-DLBZAZTESA-N 1 3 346.475 1.135 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419930119 447497404 /nfs/dbraw/zinc/49/74/04/447497404.db2.gz NRFLXFGGMMUOTA-DLBZAZTESA-N 1 3 346.475 1.135 20 0 EDADHO C[C@@H]1C[N@@H+](CCC2CCN([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000426781373 447500249 /nfs/dbraw/zinc/50/02/49/447500249.db2.gz BPFSYYSMLPCXDJ-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H]1C[N@H+](CCC2CCN([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000426781373 447500252 /nfs/dbraw/zinc/50/02/52/447500252.db2.gz BPFSYYSMLPCXDJ-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000419948452 447507435 /nfs/dbraw/zinc/50/74/35/447507435.db2.gz FRPMWCNORKIHKK-OAHLLOKOSA-N 1 3 328.501 1.053 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000450502809 447509839 /nfs/dbraw/zinc/50/98/39/447509839.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000450502809 447509844 /nfs/dbraw/zinc/50/98/44/447509844.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000427292986 447575919 /nfs/dbraw/zinc/57/59/19/447575919.db2.gz WMNBXRAUELOXJP-PKOBYXMFSA-N 1 3 344.503 1.481 20 0 EDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431266 447572096 /nfs/dbraw/zinc/57/20/96/447572096.db2.gz JWPDEZNERQDNRB-GJZGRUSLSA-N 1 3 329.485 1.942 20 0 EDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361159 447572339 /nfs/dbraw/zinc/57/23/39/447572339.db2.gz QETSGYRDNQOHAX-CABCVRRESA-N 1 3 329.485 1.800 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000420111431 447609182 /nfs/dbraw/zinc/60/91/82/447609182.db2.gz CKKWJARZAYJIHF-GRDNDAEWSA-N 1 3 344.459 1.018 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000420129226 447621692 /nfs/dbraw/zinc/62/16/92/447621692.db2.gz PWBAJPVCDOOXEQ-AWEZNQCLSA-N 1 3 346.475 1.265 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420216011 447673637 /nfs/dbraw/zinc/67/36/37/447673637.db2.gz WPXKWVYTPVUXNL-CVEARBPZSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457929460 447674874 /nfs/dbraw/zinc/67/48/74/447674874.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457929460 447674880 /nfs/dbraw/zinc/67/48/80/447674880.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO CON1CCC(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000459578502 447712195 /nfs/dbraw/zinc/71/21/95/447712195.db2.gz IVRPKTJGVDXUKI-GOSISDBHSA-N 1 3 348.491 1.363 20 0 EDADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744229 /nfs/dbraw/zinc/74/42/29/447744229.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 1 3 325.497 1.090 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794084 447751314 /nfs/dbraw/zinc/75/13/14/447751314.db2.gz GHHOJPVQQSXWIX-GWIFVGGISA-N 1 3 344.858 1.972 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794084 447751319 /nfs/dbraw/zinc/75/13/19/447751319.db2.gz GHHOJPVQQSXWIX-GWIFVGGISA-N 1 3 344.858 1.972 20 0 EDADHO COCCCN(C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790789 447751422 /nfs/dbraw/zinc/75/14/22/447751422.db2.gz XYOFULPXMUCNER-PKOBYXMFSA-N 1 3 333.476 1.800 20 0 EDADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1CCN1CCOCC1 ZINC000471875780 447816127 /nfs/dbraw/zinc/81/61/27/447816127.db2.gz XLCVJUMKPRHVFB-UXHICEINSA-N 1 3 331.504 1.991 20 0 EDADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000471875780 447816128 /nfs/dbraw/zinc/81/61/28/447816128.db2.gz XLCVJUMKPRHVFB-UXHICEINSA-N 1 3 331.504 1.991 20 0 EDADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000471875780 447816130 /nfs/dbraw/zinc/81/61/30/447816130.db2.gz XLCVJUMKPRHVFB-UXHICEINSA-N 1 3 331.504 1.991 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422914195 447771141 /nfs/dbraw/zinc/77/11/41/447771141.db2.gz SCPQZTJACXYQEE-CRAIPNDOSA-N 1 3 332.492 1.456 20 0 EDADHO C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914450 447771838 /nfs/dbraw/zinc/77/18/38/447771838.db2.gz UGQLCYOQTDTZHG-QAPCUYQASA-N 1 3 332.492 1.598 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](NC3CCC(C[NH3+])CC3)C2=O)c1 ZINC000422916411 447772421 /nfs/dbraw/zinc/77/24/21/447772421.db2.gz ALJVFFSUBNMDQY-JRSKDTKFSA-N 1 3 347.459 1.916 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)cc1 ZINC000422939593 447776513 /nfs/dbraw/zinc/77/65/13/447776513.db2.gz MEPXKHMLWSCZJW-JKSUJKDBSA-N 1 3 325.478 1.687 20 0 EDADHO O=C(C1CCC1)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422952386 447779669 /nfs/dbraw/zinc/77/96/69/447779669.db2.gz AXFOBNSONILMRP-OTWHNJEPSA-N 1 3 348.535 1.441 20 0 EDADHO C[C@@](C[NH3+])(NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC1 ZINC000430578191 447780327 /nfs/dbraw/zinc/78/03/27/447780327.db2.gz DTCGUZVYQBCJPS-INIZCTEOSA-N 1 3 338.839 1.485 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422961997 447781688 /nfs/dbraw/zinc/78/16/88/447781688.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 1 3 326.444 1.564 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422961997 447781694 /nfs/dbraw/zinc/78/16/94/447781694.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 1 3 326.444 1.564 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000423033494 447795563 /nfs/dbraw/zinc/79/55/63/447795563.db2.gz OMQPWVJTFNRXEQ-ATZDWAIDSA-N 1 3 333.476 1.110 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC1(N2CCOCC2)CC1 ZINC000423071324 447799351 /nfs/dbraw/zinc/79/93/51/447799351.db2.gz FHVCNSXSXCJNCI-YLJYHZDGSA-N 1 3 343.471 1.697 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000423084705 447802524 /nfs/dbraw/zinc/80/25/24/447802524.db2.gz IPEHKOSQHFTSHL-RYQLBKOJSA-N 1 3 327.476 1.937 20 0 EDADHO CN1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000471635472 447806391 /nfs/dbraw/zinc/80/63/91/447806391.db2.gz KDDFKXUXTUSASG-IAGOWNOFSA-N 1 3 334.464 1.309 20 0 EDADHO CC[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000489581588 447864290 /nfs/dbraw/zinc/86/42/90/447864290.db2.gz KCOPXQHQCFNBLJ-ARFHVFGLSA-N 1 3 342.528 1.266 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4cccnn43)CC2)CC1 ZINC000569700238 447871741 /nfs/dbraw/zinc/87/17/41/447871741.db2.gz ZNKOLJCEVSESSD-UHFFFAOYSA-N 1 3 342.447 1.018 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665624 447897469 /nfs/dbraw/zinc/89/74/69/447897469.db2.gz MDLWEXJINKIBOO-WMZOPIPTSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665624 447897475 /nfs/dbraw/zinc/89/74/75/447897475.db2.gz MDLWEXJINKIBOO-WMZOPIPTSA-N 1 3 345.487 1.954 20 0 EDADHO CN1CC[C@]2(CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007745 /nfs/dbraw/zinc/00/77/45/448007745.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 1 3 327.469 1.290 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253176 448007748 /nfs/dbraw/zinc/00/77/48/448007748.db2.gz POEGLAKQWXPCGS-IRXDYDNUSA-N 1 3 327.469 1.290 20 0 EDADHO CC1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525690540 448012236 /nfs/dbraw/zinc/01/22/36/448012236.db2.gz SPHOGSBPVLQIKW-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO CC1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525690540 448012242 /nfs/dbraw/zinc/01/22/42/448012242.db2.gz SPHOGSBPVLQIKW-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccccc2F)CC1(C)C ZINC000576100892 447971212 /nfs/dbraw/zinc/97/12/12/447971212.db2.gz HYOBMOFQPNSPJK-HNNXBMFYSA-N 1 3 339.455 1.181 20 0 EDADHO C[C@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289634 448044501 /nfs/dbraw/zinc/04/45/01/448044501.db2.gz OPQSLABNMYYWBH-QAPCUYQASA-N 1 3 343.512 1.974 20 0 EDADHO C[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000497289634 448044504 /nfs/dbraw/zinc/04/45/04/448044504.db2.gz OPQSLABNMYYWBH-QAPCUYQASA-N 1 3 343.512 1.974 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCO[C@@H]3C)CC2)CC1 ZINC000576411004 448048739 /nfs/dbraw/zinc/04/87/39/448048739.db2.gz QKVKSPBVCFFWGU-DNVCBOLYSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@H+](CCCN1CCCC1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000497260304 448014945 /nfs/dbraw/zinc/01/49/45/448014945.db2.gz ZMFZTPRRWLSKGO-QGZVFWFLSA-N 1 3 329.485 1.680 20 0 EDADHO C[N@@H+](CCCN1CCCC1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000497260304 448014953 /nfs/dbraw/zinc/01/49/53/448014953.db2.gz ZMFZTPRRWLSKGO-QGZVFWFLSA-N 1 3 329.485 1.680 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000571053862 448101196 /nfs/dbraw/zinc/10/11/96/448101196.db2.gz ICUKMJOXKITRBF-QWHCGFSZSA-N 1 3 342.281 1.931 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000571053862 448101198 /nfs/dbraw/zinc/10/11/98/448101198.db2.gz ICUKMJOXKITRBF-QWHCGFSZSA-N 1 3 342.281 1.931 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522994 448164798 /nfs/dbraw/zinc/16/47/98/448164798.db2.gz SHIIDDIVXVHKGJ-ABHNRTSZSA-N 1 3 336.524 1.582 20 0 EDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1ccc(Cl)cc1 ZINC000577178866 448226836 /nfs/dbraw/zinc/22/68/36/448226836.db2.gz POKPJNBOOJPAPV-INIZCTEOSA-N 1 3 342.867 1.516 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210070 448215752 /nfs/dbraw/zinc/21/57/52/448215752.db2.gz OCKFBOLZWJZHMY-GPMSIDNRSA-N 1 3 345.487 1.977 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN(C)c1ccc(Cl)cn1 ZINC000591287163 448307189 /nfs/dbraw/zinc/30/71/89/448307189.db2.gz YJUZZMDTBVHFCF-UHFFFAOYSA-N 1 3 341.887 1.123 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CN1C1CC1 ZINC000515504730 448323921 /nfs/dbraw/zinc/32/39/21/448323921.db2.gz DELDBAUTSSNORH-UNEWFSDZSA-N 1 3 337.533 1.945 20 0 EDADHO COC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604449 448287990 /nfs/dbraw/zinc/28/79/90/448287990.db2.gz GEQYLXLSCVCCGL-KXBFYZLASA-N 1 3 346.475 1.349 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953926 448387053 /nfs/dbraw/zinc/38/70/53/448387053.db2.gz DYCKCEZNXNHWPV-YJBOKZPZSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857458 448405096 /nfs/dbraw/zinc/40/50/96/448405096.db2.gz IUHROKHDYIZQKG-NVXWUHKLSA-N 1 3 343.471 1.570 20 0 EDADHO O=c1c2ccccc2ncn1CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577953288 448424844 /nfs/dbraw/zinc/42/48/44/448424844.db2.gz YVFQEMUFGHMBCI-MRXNPFEDSA-N 1 3 326.444 1.718 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000566436477 448469389 /nfs/dbraw/zinc/46/93/89/448469389.db2.gz LCTHDWDOGGPPQZ-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000566436477 448469394 /nfs/dbraw/zinc/46/93/94/448469394.db2.gz LCTHDWDOGGPPQZ-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000566610759 448518464 /nfs/dbraw/zinc/51/84/64/448518464.db2.gz XOUYQVCABCPHAH-NXHRZFHOSA-N 1 3 346.475 1.409 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855554 448572585 /nfs/dbraw/zinc/57/25/85/448572585.db2.gz SFLNCHGYAUNFGD-UWWQBHOKSA-N 1 3 335.467 1.969 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855554 448572589 /nfs/dbraw/zinc/57/25/89/448572589.db2.gz SFLNCHGYAUNFGD-UWWQBHOKSA-N 1 3 335.467 1.969 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000584730956 448614033 /nfs/dbraw/zinc/61/40/33/448614033.db2.gz CEWCTDPOZRCPHY-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923765 448588070 /nfs/dbraw/zinc/58/80/70/448588070.db2.gz JZRJYPQICQTJAD-HOCLYGCPSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H]([NH2+]CC2(CN[C@H]3[C@@H](C)O[C@@H](C)[C@H]3C)COC2)[C@H]1C ZINC000528770021 448667427 /nfs/dbraw/zinc/66/74/27/448667427.db2.gz YMBQZSQZOWUOFC-MJGPRRAXSA-N 1 3 340.508 1.806 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](NCC2(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@H]3C)COC2)[C@H]1C ZINC000528770021 448667433 /nfs/dbraw/zinc/66/74/33/448667433.db2.gz YMBQZSQZOWUOFC-MJGPRRAXSA-N 1 3 340.508 1.806 20 0 EDADHO O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCN(C2CCCC2)CC1 ZINC000573681043 448687551 /nfs/dbraw/zinc/68/75/51/448687551.db2.gz OBQBLMYEIAAVFF-OAHLLOKOSA-N 1 3 346.479 1.121 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1NCCc2ccccc21 ZINC000567571525 448715682 /nfs/dbraw/zinc/71/56/82/448715682.db2.gz LPYZUNMUMCIGJG-KSSFIOAISA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1NCCc2ccccc21 ZINC000567571525 448715684 /nfs/dbraw/zinc/71/56/84/448715684.db2.gz LPYZUNMUMCIGJG-KSSFIOAISA-N 1 3 328.460 1.657 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000519682347 448817424 /nfs/dbraw/zinc/81/74/24/448817424.db2.gz AKFBTRQFDLJKJK-UHFFFAOYSA-N 1 3 339.505 1.206 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC(NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000579567714 448822423 /nfs/dbraw/zinc/82/24/23/448822423.db2.gz WGCQNJBFCGPQCG-QGZVFWFLSA-N 1 3 337.489 1.475 20 0 EDADHO N[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529332145 448829137 /nfs/dbraw/zinc/82/91/37/448829137.db2.gz HLWHNHRGUPMAAO-MSOLQXFVSA-N 1 3 346.475 1.487 20 0 EDADHO COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000519816274 448849915 /nfs/dbraw/zinc/84/99/15/448849915.db2.gz CPVLRWCMSBHPEI-WMZOPIPTSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816274 448849919 /nfs/dbraw/zinc/84/99/19/448849919.db2.gz CPVLRWCMSBHPEI-WMZOPIPTSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816274 448849923 /nfs/dbraw/zinc/84/99/23/448849923.db2.gz CPVLRWCMSBHPEI-WMZOPIPTSA-N 1 3 334.460 1.647 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493992 448861882 /nfs/dbraw/zinc/86/18/82/448861882.db2.gz YKQDSGXRERELLI-HRCADAONSA-N 1 3 338.496 1.568 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574569189 448904247 /nfs/dbraw/zinc/90/42/47/448904247.db2.gz KCTMQXSADLNDQB-RDTXWAMCSA-N 1 3 328.460 1.738 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000574569189 448904253 /nfs/dbraw/zinc/90/42/53/448904253.db2.gz KCTMQXSADLNDQB-RDTXWAMCSA-N 1 3 328.460 1.738 20 0 EDADHO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000579827678 448887425 /nfs/dbraw/zinc/88/74/25/448887425.db2.gz UARWOIVUWDMMAI-NVXWUHKLSA-N 1 3 334.460 1.899 20 0 EDADHO CCOc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000579827678 448887430 /nfs/dbraw/zinc/88/74/30/448887430.db2.gz UARWOIVUWDMMAI-NVXWUHKLSA-N 1 3 334.460 1.899 20 0 EDADHO CCOc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000579827678 448887434 /nfs/dbraw/zinc/88/74/34/448887434.db2.gz UARWOIVUWDMMAI-NVXWUHKLSA-N 1 3 334.460 1.899 20 0 EDADHO [NH3+]C[C@@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000569333354 449003329 /nfs/dbraw/zinc/00/33/29/449003329.db2.gz MSCOIWBILFNJQY-AWEZNQCLSA-N 1 3 326.510 1.481 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000600188234 449232813 /nfs/dbraw/zinc/23/28/13/449232813.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)C3CCC3)CC2)CC1 ZINC000617313192 449556765 /nfs/dbraw/zinc/55/67/65/449556765.db2.gz JDQSODNOCKOIOC-SFHVURJKSA-N 1 3 337.508 1.460 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)C3CCC3)CC2)CC1 ZINC000617313191 449556815 /nfs/dbraw/zinc/55/68/15/449556815.db2.gz JDQSODNOCKOIOC-GOSISDBHSA-N 1 3 337.508 1.460 20 0 EDADHO CC(=O)NC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC000617504944 449649822 /nfs/dbraw/zinc/64/98/22/449649822.db2.gz QHDHYRKWFHMCNJ-HNNXBMFYSA-N 1 3 340.512 1.214 20 0 EDADHO CC(=O)NC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC000617504944 449649830 /nfs/dbraw/zinc/64/98/30/449649830.db2.gz QHDHYRKWFHMCNJ-HNNXBMFYSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1nncs1 ZINC000617504796 449650220 /nfs/dbraw/zinc/65/02/20/449650220.db2.gz KOCUMTBOJQHDOO-NSHDSACASA-N 1 3 331.511 1.018 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1nncs1 ZINC000617504796 449650223 /nfs/dbraw/zinc/65/02/23/449650223.db2.gz KOCUMTBOJQHDOO-NSHDSACASA-N 1 3 331.511 1.018 20 0 EDADHO COc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1F ZINC000617506521 449653784 /nfs/dbraw/zinc/65/37/84/449653784.db2.gz QNYQHELTQCISAN-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO COc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1F ZINC000617506521 449653789 /nfs/dbraw/zinc/65/37/89/449653789.db2.gz QNYQHELTQCISAN-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO CC(C)Oc1ncccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508001 449658393 /nfs/dbraw/zinc/65/83/93/449658393.db2.gz RJJZEQPWWJJNIJ-HNNXBMFYSA-N 1 3 336.480 1.871 20 0 EDADHO CC(C)Oc1ncccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508001 449658399 /nfs/dbraw/zinc/65/83/99/449658399.db2.gz RJJZEQPWWJJNIJ-HNNXBMFYSA-N 1 3 336.480 1.871 20 0 EDADHO CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N(CC)CC ZINC000617700338 449745078 /nfs/dbraw/zinc/74/50/78/449745078.db2.gz CGLGBSHLEGWYPY-MOPGFXCFSA-N 1 3 347.503 1.990 20 0 EDADHO CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N(CC)CC ZINC000617700338 449745087 /nfs/dbraw/zinc/74/50/87/449745087.db2.gz CGLGBSHLEGWYPY-MOPGFXCFSA-N 1 3 347.503 1.990 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747366 /nfs/dbraw/zinc/74/73/66/449747366.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 1 3 345.487 1.742 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747370 /nfs/dbraw/zinc/74/73/70/449747370.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 1 3 345.487 1.742 20 0 EDADHO CC(C)(C)OC(=O)COCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602732783 449774497 /nfs/dbraw/zinc/77/44/97/449774497.db2.gz KMLGFALYZNOIHS-UHFFFAOYSA-N 1 3 330.469 1.170 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000594947191 449815989 /nfs/dbraw/zinc/81/59/89/449815989.db2.gz XEPYDURVGRJDNP-BPQIPLTHSA-N 1 3 346.471 1.801 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CCN(CCO)CC1 ZINC000601323144 449832097 /nfs/dbraw/zinc/83/20/97/449832097.db2.gz SVZOMFIQKCINIP-GASCZTMLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1CCN(CCO)CC1 ZINC000601323144 449832104 /nfs/dbraw/zinc/83/21/04/449832104.db2.gz SVZOMFIQKCINIP-GASCZTMLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892219 449930645 /nfs/dbraw/zinc/93/06/45/449930645.db2.gz JVZFSNHZCXKADJ-AYBZRNKSSA-N 1 3 330.476 1.948 20 0 EDADHO CN(CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000615268337 450029845 /nfs/dbraw/zinc/02/98/45/450029845.db2.gz GWPINAJLHOQSCN-DLBZAZTESA-N 1 3 332.448 1.230 20 0 EDADHO CN(CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C)c1ccncc1 ZINC000615268337 450029849 /nfs/dbraw/zinc/02/98/49/450029849.db2.gz GWPINAJLHOQSCN-DLBZAZTESA-N 1 3 332.448 1.230 20 0 EDADHO CN(C)CCOCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613283927 450117455 /nfs/dbraw/zinc/11/74/55/450117455.db2.gz BFDDBXCFXZBATG-SFHVURJKSA-N 1 3 333.476 1.560 20 0 EDADHO CCc1oc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000619844862 450345485 /nfs/dbraw/zinc/34/54/85/450345485.db2.gz IFKHOGPUXNTMBH-CQSZACIVSA-N 1 3 349.475 1.887 20 0 EDADHO C[N@@H+]1CC[C@H](NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546590 450540732 /nfs/dbraw/zinc/54/07/32/450540732.db2.gz IOURXFWQRAKHJS-INIZCTEOSA-N 1 3 325.497 1.330 20 0 EDADHO C[N@H+]1CC[C@H](NCC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546590 450540733 /nfs/dbraw/zinc/54/07/33/450540733.db2.gz IOURXFWQRAKHJS-INIZCTEOSA-N 1 3 325.497 1.330 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1(C)C ZINC000623617069 450552041 /nfs/dbraw/zinc/55/20/41/450552041.db2.gz WGXADQFPHBYBSP-MAUKXSAKSA-N 1 3 325.497 1.065 20 0 EDADHO CCC1(N2CCOCC2)CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000626089573 450573279 /nfs/dbraw/zinc/57/32/79/450573279.db2.gz WCROZXFZUQZKNW-QGZVFWFLSA-N 1 3 327.513 1.264 20 0 EDADHO CCC1(N2CCOCC2)CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000626089573 450573281 /nfs/dbraw/zinc/57/32/81/450573281.db2.gz WCROZXFZUQZKNW-QGZVFWFLSA-N 1 3 327.513 1.264 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627332497 450654390 /nfs/dbraw/zinc/65/43/90/450654390.db2.gz BHTOVMXJJBFLQS-HRCADAONSA-N 1 3 338.496 1.014 20 0 EDADHO Cc1cncn1CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000626294763 450670491 /nfs/dbraw/zinc/67/04/91/450670491.db2.gz FTPBFRDWBFEWFR-UHFFFAOYSA-N 1 3 333.480 1.209 20 0 EDADHO Cc1cncn1CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000626294763 450670496 /nfs/dbraw/zinc/67/04/96/450670496.db2.gz FTPBFRDWBFEWFR-UHFFFAOYSA-N 1 3 333.480 1.209 20 0 EDADHO COc1ccc(C[C@H](C)CNC[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000629575414 450744625 /nfs/dbraw/zinc/74/46/25/450744625.db2.gz OYTRRXRSTPKCKQ-RDJZCZTQSA-N 1 3 336.476 1.929 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000631830096 450801838 /nfs/dbraw/zinc/80/18/38/450801838.db2.gz JLKNJBBLCKLXAR-HOTGVXAUSA-N 1 3 333.480 1.568 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621783774 450867250 /nfs/dbraw/zinc/86/72/50/450867250.db2.gz GDKNAJHDJLKQEL-ZHALLVOQSA-N 1 3 330.476 1.219 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940373 450898055 /nfs/dbraw/zinc/89/80/55/450898055.db2.gz UVCRBWFZXKUWSV-IRXDYDNUSA-N 1 3 343.537 1.514 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000635457740 450958313 /nfs/dbraw/zinc/95/83/13/450958313.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 1 3 345.491 1.052 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000635457740 450958319 /nfs/dbraw/zinc/95/83/19/450958319.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 1 3 345.491 1.052 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000626952787 451030721 /nfs/dbraw/zinc/03/07/21/451030721.db2.gz JMYAOVVSCJPTEZ-QGZVFWFLSA-N 1 3 336.480 1.475 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000626993576 451060021 /nfs/dbraw/zinc/06/00/21/451060021.db2.gz YKFUMTUYDFTWSR-JKSUJKDBSA-N 1 3 326.485 1.316 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624943023 451072873 /nfs/dbraw/zinc/07/28/73/451072873.db2.gz KMSATOMHJGCJAU-IXDOHACOSA-N 1 3 340.512 1.564 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624943023 451072878 /nfs/dbraw/zinc/07/28/78/451072878.db2.gz KMSATOMHJGCJAU-IXDOHACOSA-N 1 3 340.512 1.564 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000627019537 451084319 /nfs/dbraw/zinc/08/43/19/451084319.db2.gz HAJPDIPJKLBYBI-CGTJXYLNSA-N 1 3 346.475 1.327 20 0 EDADHO COCCOCCN(C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000635616697 451108532 /nfs/dbraw/zinc/10/85/32/451108532.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 1 3 341.496 1.103 20 0 EDADHO COCCOCCN(C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000635616697 451108536 /nfs/dbraw/zinc/10/85/36/451108536.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 1 3 341.496 1.103 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCNCc1cccnc1)C2 ZINC000627073088 451111911 /nfs/dbraw/zinc/11/19/11/451111911.db2.gz JNDZIZBWFOOTSA-HDICACEKSA-N 1 3 331.464 1.202 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632186681 451100380 /nfs/dbraw/zinc/10/03/80/451100380.db2.gz VVVFDPNGBQJELK-OAHLLOKOSA-N 1 3 331.526 1.464 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628157000 451161595 /nfs/dbraw/zinc/16/15/95/451161595.db2.gz PUHRZZJBIAXIPR-UHFFFAOYSA-N 1 3 329.448 1.453 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000627171658 451162088 /nfs/dbraw/zinc/16/20/88/451162088.db2.gz FZCODDFNOQPLSR-QGZVFWFLSA-N 1 3 348.491 1.386 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249808 451207912 /nfs/dbraw/zinc/20/79/12/451207912.db2.gz GPGZURHXKXRUDA-MRXNPFEDSA-N 1 3 331.464 1.691 20 0 EDADHO CN(CCN1CCN(C(=O)CCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000638102601 451269156 /nfs/dbraw/zinc/26/91/56/451269156.db2.gz VXEJZXJMHKZJBC-UHFFFAOYSA-N 1 3 344.503 1.262 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000638125683 451294843 /nfs/dbraw/zinc/29/48/43/451294843.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 1 3 346.519 1.779 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638125683 451294848 /nfs/dbraw/zinc/29/48/48/451294848.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 1 3 346.519 1.779 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136876 451311492 /nfs/dbraw/zinc/31/14/92/451311492.db2.gz OKPOYQMRRYKKPQ-IBGZPJMESA-N 1 3 342.487 1.488 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638144228 451318127 /nfs/dbraw/zinc/31/81/27/451318127.db2.gz BQOLEIFMQSJEKO-QWHCGFSZSA-N 1 3 345.447 1.113 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638201038 451352303 /nfs/dbraw/zinc/35/23/03/451352303.db2.gz AGDXVURHQCDNBB-GXTWGEPZSA-N 1 3 345.447 1.031 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC[NH2+]1 ZINC000638210719 451356709 /nfs/dbraw/zinc/35/67/09/451356709.db2.gz MCSIXKRRHOBZGD-JSGCOSHPSA-N 1 3 345.447 1.174 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3OC4CCC3CC4)CC2)CC1 ZINC000636682080 451411302 /nfs/dbraw/zinc/41/13/02/451411302.db2.gz FYBPZOKSEHLXBT-UHFFFAOYSA-N 1 3 336.480 1.813 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1 ZINC000638304332 451418728 /nfs/dbraw/zinc/41/87/28/451418728.db2.gz FMZBOSTYHTTWEF-UCLAIMLFSA-N 1 3 346.475 1.490 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357452 451457935 /nfs/dbraw/zinc/45/79/35/451457935.db2.gz MHQWFNXZONWNHM-ATLSCFEFSA-N 1 3 332.492 1.278 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700552 451474396 /nfs/dbraw/zinc/47/43/96/451474396.db2.gz BKCFJVMKGHPGKZ-OALUTQOASA-N 1 3 339.524 1.047 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700552 451474400 /nfs/dbraw/zinc/47/44/00/451474400.db2.gz BKCFJVMKGHPGKZ-OALUTQOASA-N 1 3 339.524 1.047 20 0 EDADHO CN(C)[C@]1(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CCSC1 ZINC000634706878 451484066 /nfs/dbraw/zinc/48/40/66/451484066.db2.gz WFJGAFHZLJVGLD-OALUTQOASA-N 1 3 349.544 1.650 20 0 EDADHO CO[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)C1CCOCC1 ZINC000638459497 451526428 /nfs/dbraw/zinc/52/64/28/451526428.db2.gz KEWSJUSYKXGOMW-LJQANCHMSA-N 1 3 339.524 1.576 20 0 EDADHO COc1cccc(C[C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)n1 ZINC000635008829 451648292 /nfs/dbraw/zinc/64/82/92/451648292.db2.gz KVLVRHANMBVPPX-CQSZACIVSA-N 1 3 327.432 1.938 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)n2)CC1 ZINC000632941197 451661667 /nfs/dbraw/zinc/66/16/67/451661667.db2.gz VSKZOMJAGUHEGF-CQSZACIVSA-N 1 3 334.468 1.885 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)O1 ZINC000632978445 451675505 /nfs/dbraw/zinc/67/55/05/451675505.db2.gz GEDJUSLBTXLHHR-JKIFEVAISA-N 1 3 338.496 1.410 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000640949223 451699974 /nfs/dbraw/zinc/69/99/74/451699974.db2.gz PVWKHJKHXPGJDO-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CSCCN1 ZINC000638836132 451705708 /nfs/dbraw/zinc/70/57/08/451705708.db2.gz QFMFRDSWLRZVCE-BPQIPLTHSA-N 1 3 347.528 1.966 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CSCCN1 ZINC000638836132 451705712 /nfs/dbraw/zinc/70/57/12/451705712.db2.gz QFMFRDSWLRZVCE-BPQIPLTHSA-N 1 3 347.528 1.966 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852684 451711341 /nfs/dbraw/zinc/71/13/41/451711341.db2.gz ZSPFWXSQHGPSAJ-FHWLQOOXSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@H]1CCCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)[C@H]1C[NH3+] ZINC000632961324 451670584 /nfs/dbraw/zinc/67/05/84/451670584.db2.gz RACRPJQPOFDFGH-BBRMVZONSA-N 1 3 334.468 1.741 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632962882 451671014 /nfs/dbraw/zinc/67/10/14/451671014.db2.gz PQURWCROABZXKH-BBRMVZONSA-N 1 3 334.468 1.883 20 0 EDADHO CN1CCC(n2cc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000632961888 451671500 /nfs/dbraw/zinc/67/15/00/451671500.db2.gz VPSWUMUANRVVIT-INIZCTEOSA-N 1 3 332.452 1.508 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCN1CC[C@H](O)C1)[NH+](C)C ZINC000637138556 451738668 /nfs/dbraw/zinc/73/86/68/451738668.db2.gz QLGAKEUYQLRYTD-SOLBZPMBSA-N 1 3 348.491 1.352 20 0 EDADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000639308081 451818260 /nfs/dbraw/zinc/81/82/60/451818260.db2.gz LEBMMUZLGRXUOE-MNEFBYGVSA-N 1 3 345.487 1.790 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000642178943 451831425 /nfs/dbraw/zinc/83/14/25/451831425.db2.gz UBHWPYZLVIIXFD-HUUCEWRRSA-N 1 3 346.475 1.230 20 0 EDADHO C[N@@H+]1C[C@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000646916771 451935599 /nfs/dbraw/zinc/93/55/99/451935599.db2.gz QGBIVKCCYYYPEC-MJGOQNOKSA-N 1 3 342.487 1.361 20 0 EDADHO C[N@H+]1C[C@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000646916771 451935607 /nfs/dbraw/zinc/93/56/07/451935607.db2.gz QGBIVKCCYYYPEC-MJGOQNOKSA-N 1 3 342.487 1.361 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734459 451961612 /nfs/dbraw/zinc/96/16/12/451961612.db2.gz PYVYYJIFONXPAH-KSZLIROESA-N 1 3 330.476 1.041 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734459 451961614 /nfs/dbraw/zinc/96/16/14/451961614.db2.gz PYVYYJIFONXPAH-KSZLIROESA-N 1 3 330.476 1.041 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CCN(C)C1 ZINC000649288580 451963266 /nfs/dbraw/zinc/96/32/66/451963266.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CCN(C)C1 ZINC000649288580 451963270 /nfs/dbraw/zinc/96/32/70/451963270.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 1 3 344.503 1.710 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1conc1C ZINC000637618674 451975790 /nfs/dbraw/zinc/97/57/90/451975790.db2.gz ALWPZBDAZVNIHN-INIZCTEOSA-N 1 3 337.468 1.541 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1conc1C ZINC000637618674 451975797 /nfs/dbraw/zinc/97/57/97/451975797.db2.gz ALWPZBDAZVNIHN-INIZCTEOSA-N 1 3 337.468 1.541 20 0 EDADHO COC[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000649335480 452016649 /nfs/dbraw/zinc/01/66/49/452016649.db2.gz FIBNWAIDXAKQHS-MJGOQNOKSA-N 1 3 331.460 1.536 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649343337 452023029 /nfs/dbraw/zinc/02/30/29/452023029.db2.gz ZBHPCXWNPZIAES-CQSZACIVSA-N 1 3 328.420 1.435 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649350526 452032776 /nfs/dbraw/zinc/03/27/76/452032776.db2.gz LQMCGBRIOYCVMC-UHFFFAOYSA-N 1 3 346.519 1.958 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@H]1CN1CCOCC1 ZINC000649412065 452076149 /nfs/dbraw/zinc/07/61/49/452076149.db2.gz HCNYNRSHQPAJEF-UFYCRDLUSA-N 1 3 347.503 1.104 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000649412065 452076156 /nfs/dbraw/zinc/07/61/56/452076156.db2.gz HCNYNRSHQPAJEF-UFYCRDLUSA-N 1 3 347.503 1.104 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000649412065 452076162 /nfs/dbraw/zinc/07/61/62/452076162.db2.gz HCNYNRSHQPAJEF-UFYCRDLUSA-N 1 3 347.503 1.104 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000637804098 452090410 /nfs/dbraw/zinc/09/04/10/452090410.db2.gz LWAMTUCXXAJUDX-SJORKVTESA-N 1 3 343.427 1.390 20 0 EDADHO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](N)c2ccccc2OC)c1 ZINC000637804098 452090418 /nfs/dbraw/zinc/09/04/18/452090418.db2.gz LWAMTUCXXAJUDX-SJORKVTESA-N 1 3 343.427 1.390 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC[C@@H]1[NH3+] ZINC000637846785 452112903 /nfs/dbraw/zinc/11/29/03/452112903.db2.gz DIEOFFVXNJGUEY-OCCSQVGLSA-N 1 3 345.447 1.113 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637850727 452114766 /nfs/dbraw/zinc/11/47/66/452114766.db2.gz BYRBDPRQLCNZTL-GOSISDBHSA-N 1 3 347.463 1.407 20 0 EDADHO CN(CCN1CCN(C[C@H]2CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124727 /nfs/dbraw/zinc/12/47/27/452124727.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO CN(CCN1CCN(C[C@H]2CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124733 /nfs/dbraw/zinc/12/47/33/452124733.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654104757 452247817 /nfs/dbraw/zinc/24/78/17/452247817.db2.gz VLAKOVXJRRPGIY-LSDHHAIUSA-N 1 3 334.468 1.583 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654104757 452247824 /nfs/dbraw/zinc/24/78/24/452247824.db2.gz VLAKOVXJRRPGIY-LSDHHAIUSA-N 1 3 334.468 1.583 20 0 EDADHO CCC(CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+]1CCCC1 ZINC000663558685 452272351 /nfs/dbraw/zinc/27/23/51/452272351.db2.gz ACSQEYYRRMLPMC-ULQDDVLXSA-N 1 3 340.512 1.203 20 0 EDADHO Cn1ncc(C2CC2)c1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000657489952 452276799 /nfs/dbraw/zinc/27/67/99/452276799.db2.gz CMRMTHVVYYFAMW-UHFFFAOYSA-N 1 3 347.507 1.184 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000659454662 452305864 /nfs/dbraw/zinc/30/58/64/452305864.db2.gz LLNUTGZXCOCFNO-HFCFLWKCSA-N 1 3 328.460 1.784 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458131 452310949 /nfs/dbraw/zinc/31/09/49/452310949.db2.gz PKXVKTXZTFGFSV-MSOLQXFVSA-N 1 3 334.508 1.892 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)N(C)C)cc1 ZINC000638048940 452318560 /nfs/dbraw/zinc/31/85/60/452318560.db2.gz ARXVZWBQZDAJIS-HKUYNNGSSA-N 1 3 333.476 1.723 20 0 EDADHO CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CCN(C)C1 ZINC000645343910 452321704 /nfs/dbraw/zinc/32/17/04/452321704.db2.gz SCJSPQIELZOBJR-ZBFHGGJFSA-N 1 3 328.526 1.549 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000659468494 452326586 /nfs/dbraw/zinc/32/65/86/452326586.db2.gz BFTXNCTYYCYLKH-WAZRQNRBSA-N 1 3 328.460 1.701 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659478684 452338875 /nfs/dbraw/zinc/33/88/75/452338875.db2.gz DBNCOSGHYJOUCL-WMHQRMGPSA-N 1 3 326.460 1.720 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000659478684 452338882 /nfs/dbraw/zinc/33/88/82/452338882.db2.gz DBNCOSGHYJOUCL-WMHQRMGPSA-N 1 3 326.460 1.720 20 0 EDADHO CCOC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763524 452344005 /nfs/dbraw/zinc/34/40/05/452344005.db2.gz DJLAHSZRCSPCPB-IRXDYDNUSA-N 1 3 342.528 1.859 20 0 EDADHO CCOC[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763524 452344014 /nfs/dbraw/zinc/34/40/14/452344014.db2.gz DJLAHSZRCSPCPB-IRXDYDNUSA-N 1 3 342.528 1.859 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638063542 452361915 /nfs/dbraw/zinc/36/19/15/452361915.db2.gz VLFASDSTODBZRJ-FQEVSTJZSA-N 1 3 345.487 1.785 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659517088 452379630 /nfs/dbraw/zinc/37/96/30/452379630.db2.gz NAVNWIXKIWQBPA-KRWDZBQOSA-N 1 3 333.480 1.576 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000638073176 452384146 /nfs/dbraw/zinc/38/41/46/452384146.db2.gz CGMUKCWIQAGZIW-MOPGFXCFSA-N 1 3 344.503 1.533 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000659537562 452395952 /nfs/dbraw/zinc/39/59/52/452395952.db2.gz LUQATLKEWDWOBB-KZNAEPCWSA-N 1 3 346.475 1.322 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCOC1 ZINC000638081297 452398755 /nfs/dbraw/zinc/39/87/55/452398755.db2.gz WZWSYJBRODXYQY-AZUAARDMSA-N 1 3 345.487 1.913 20 0 EDADHO [NH3+]C1(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000645452114 452419664 /nfs/dbraw/zinc/41/96/64/452419664.db2.gz GSTYDJFKSMTBKD-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000640218720 452527692 /nfs/dbraw/zinc/52/76/92/452527692.db2.gz SZDOHERBJQWTIX-MORSLUCNSA-N 1 3 342.443 1.597 20 0 EDADHO Cn1cc(-c2cc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364039 452545135 /nfs/dbraw/zinc/54/51/35/452545135.db2.gz VWMSCAWNPMFBKR-QGTPRVQTSA-N 1 3 345.447 1.936 20 0 EDADHO C[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H]1CC[NH3+] ZINC000652378165 452567120 /nfs/dbraw/zinc/56/71/20/452567120.db2.gz ZXLNXOAJQOBQGS-WMLDXEAASA-N 1 3 339.505 1.886 20 0 EDADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000647833927 452568522 /nfs/dbraw/zinc/56/85/22/452568522.db2.gz UNEWGEMQWJCSIA-HKUYNNGSSA-N 1 3 344.503 1.750 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546196 452627321 /nfs/dbraw/zinc/62/73/21/452627321.db2.gz NIFVSINUYZWDAM-HRCADAONSA-N 1 3 326.485 1.127 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655909809 452665908 /nfs/dbraw/zinc/66/59/08/452665908.db2.gz GNYXKSBTXHWYIM-CHWSQXEVSA-N 1 3 330.354 1.450 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000655922903 452687059 /nfs/dbraw/zinc/68/70/59/452687059.db2.gz UQPLOGMGJYYAFA-ZDUSSCGKSA-N 1 3 338.418 1.933 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655958104 452737487 /nfs/dbraw/zinc/73/74/87/452737487.db2.gz IDUVIXHQCSUMTA-SJORKVTESA-N 1 3 344.459 1.478 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655962557 452743444 /nfs/dbraw/zinc/74/34/44/452743444.db2.gz ONTYOMRPICAQCM-QZTJIDSGSA-N 1 3 345.491 1.877 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000655966648 452747558 /nfs/dbraw/zinc/74/75/58/452747558.db2.gz DAVLMVMZGAXYMM-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000664205873 452879269 /nfs/dbraw/zinc/87/92/69/452879269.db2.gz GVSHVYZONYRIPM-JONQDZQNSA-N 1 3 340.512 1.371 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000664205873 452879277 /nfs/dbraw/zinc/87/92/77/452879277.db2.gz GVSHVYZONYRIPM-JONQDZQNSA-N 1 3 340.512 1.371 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cn[nH]c3)CC2)CC1 ZINC000654791344 452925955 /nfs/dbraw/zinc/92/59/55/452925955.db2.gz JSHOZBDRJMUVMY-UHFFFAOYSA-N 1 3 333.480 1.564 20 0 EDADHO CCn1nc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000666531687 452944439 /nfs/dbraw/zinc/94/44/39/452944439.db2.gz MURHGKMFQFSFJL-ZDUSSCGKSA-N 1 3 338.500 1.913 20 0 EDADHO CCn1nc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000666531687 452944442 /nfs/dbraw/zinc/94/44/42/452944442.db2.gz MURHGKMFQFSFJL-ZDUSSCGKSA-N 1 3 338.500 1.913 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)C1 ZINC000646002966 452998653 /nfs/dbraw/zinc/99/86/53/452998653.db2.gz LRRQKGCHXKEMRG-MSOLQXFVSA-N 1 3 336.524 1.523 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)C1 ZINC000646002966 452998657 /nfs/dbraw/zinc/99/86/57/452998657.db2.gz LRRQKGCHXKEMRG-MSOLQXFVSA-N 1 3 336.524 1.523 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)C1 ZINC000646002968 452998972 /nfs/dbraw/zinc/99/89/72/452998972.db2.gz LRRQKGCHXKEMRG-ROUUACIJSA-N 1 3 336.524 1.523 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H](N)CC3CCCCC3)CC2)C1 ZINC000646002968 452998982 /nfs/dbraw/zinc/99/89/82/452998982.db2.gz LRRQKGCHXKEMRG-ROUUACIJSA-N 1 3 336.524 1.523 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664218 453051572 /nfs/dbraw/zinc/05/15/72/453051572.db2.gz BIOJJMGHKYROEJ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664218 453051582 /nfs/dbraw/zinc/05/15/82/453051582.db2.gz BIOJJMGHKYROEJ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402926 453114775 /nfs/dbraw/zinc/11/47/75/453114775.db2.gz GPZZATQOSUXIKI-ZIAGYGMSSA-N 1 3 334.464 1.992 20 0 EDADHO O=C(NCC[NH2+]C1CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644198641 453128256 /nfs/dbraw/zinc/12/82/56/453128256.db2.gz GMIAIQSLSROUMQ-FUHWJXTLSA-N 1 3 328.460 1.654 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000666921465 453243344 /nfs/dbraw/zinc/24/33/44/453243344.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000666921465 453243355 /nfs/dbraw/zinc/24/33/55/453243355.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000662659579 453372816 /nfs/dbraw/zinc/37/28/16/453372816.db2.gz SQLUQMAKQFZFKM-ROUUACIJSA-N 1 3 347.528 1.857 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000662659579 453372823 /nfs/dbraw/zinc/37/28/23/453372823.db2.gz SQLUQMAKQFZFKM-ROUUACIJSA-N 1 3 347.528 1.857 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662683975 453404450 /nfs/dbraw/zinc/40/44/50/453404450.db2.gz UWYUVIDUOYUHHF-SHTZXODSSA-N 1 3 330.432 1.060 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662685935 453406173 /nfs/dbraw/zinc/40/61/73/453406173.db2.gz IUHPRKRGXJHHOZ-RCCFBDPRSA-N 1 3 329.444 1.922 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000653220507 453409041 /nfs/dbraw/zinc/40/90/41/453409041.db2.gz KAEASNABGXNQOT-UHFFFAOYSA-N 1 3 344.503 1.752 20 0 EDADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000662708178 453429964 /nfs/dbraw/zinc/42/99/64/453429964.db2.gz QHZHEUXKEQQJQX-ZWKOTPCHSA-N 1 3 347.459 1.193 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662715428 453439404 /nfs/dbraw/zinc/43/94/04/453439404.db2.gz ITIXVGIRUHICIR-GOSISDBHSA-N 1 3 345.487 1.648 20 0 EDADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000656787186 453448141 /nfs/dbraw/zinc/44/81/41/453448141.db2.gz FXYRVAVFOUJSEO-ZACQAIPSSA-N 1 3 329.444 1.477 20 0 EDADHO CC(C)C[C@@H](N)C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000656787186 453448144 /nfs/dbraw/zinc/44/81/44/453448144.db2.gz FXYRVAVFOUJSEO-ZACQAIPSSA-N 1 3 329.444 1.477 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602719 453505004 /nfs/dbraw/zinc/50/50/04/453505004.db2.gz CENLCXBTXZVXBO-WMZOPIPTSA-N 1 3 349.475 1.604 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660702130 453526285 /nfs/dbraw/zinc/52/62/85/453526285.db2.gz GFQJJDQXKWPDKS-IAGOWNOFSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660702130 453526292 /nfs/dbraw/zinc/52/62/92/453526292.db2.gz GFQJJDQXKWPDKS-IAGOWNOFSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445287 453532328 /nfs/dbraw/zinc/53/23/28/453532328.db2.gz PHUXHYUIYCIQCS-DOTOQJQBSA-N 1 3 337.533 1.854 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)n(C2CCN(C)CC2)n1 ZINC000655449427 453537146 /nfs/dbraw/zinc/53/71/46/453537146.db2.gz WWFCSVBQEPTPOC-YJBOKZPZSA-N 1 3 331.464 1.786 20 0 EDADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665071990 453564372 /nfs/dbraw/zinc/56/43/72/453564372.db2.gz GVDSGPRUROCDNA-GVDBMIGSSA-N 1 3 342.528 1.905 20 0 EDADHO CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665071990 453564379 /nfs/dbraw/zinc/56/43/79/453564379.db2.gz GVDSGPRUROCDNA-GVDBMIGSSA-N 1 3 342.528 1.905 20 0 EDADHO Cc1cc(NC(=O)NCC2([NH3+])CCCC2)n(C2CCN(C)CC2)n1 ZINC000659000529 453574165 /nfs/dbraw/zinc/57/41/65/453574165.db2.gz SZKMNHRMIUZSNP-UHFFFAOYSA-N 1 3 334.468 1.851 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873288 453583156 /nfs/dbraw/zinc/58/31/56/453583156.db2.gz WCABDCBNTUNRRK-FGTMMUONSA-N 1 3 331.460 1.126 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826184 453589704 /nfs/dbraw/zinc/58/97/04/453589704.db2.gz NRSYSIKRIWAEPE-BBRMVZONSA-N 1 3 328.526 1.596 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826184 453589705 /nfs/dbraw/zinc/58/97/05/453589705.db2.gz NRSYSIKRIWAEPE-BBRMVZONSA-N 1 3 328.526 1.596 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660827832 453591006 /nfs/dbraw/zinc/59/10/06/453591006.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660827832 453591011 /nfs/dbraw/zinc/59/10/11/453591011.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253207 453625740 /nfs/dbraw/zinc/62/57/40/453625740.db2.gz KFHYNADRTHBTTF-MJXUCMMTSA-N 1 3 339.430 1.767 20 0 EDADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253207 453625743 /nfs/dbraw/zinc/62/57/43/453625743.db2.gz KFHYNADRTHBTTF-MJXUCMMTSA-N 1 3 339.430 1.767 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](N)CC2CCCCC2)CCO1 ZINC000662974018 453631641 /nfs/dbraw/zinc/63/16/41/453631641.db2.gz YRCQJIUXOAABKY-IAGOWNOFSA-N 1 3 325.497 1.853 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2nc3c(s2)CNCC3)C1 ZINC000663498435 453810272 /nfs/dbraw/zinc/81/02/72/453810272.db2.gz SRCRIYWVDFJTBD-SNPRPXQTSA-N 1 3 336.505 1.650 20 0 EDADHO Cc1n[nH]c(C)c1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514053 453814012 /nfs/dbraw/zinc/81/40/12/453814012.db2.gz VSWJFMUYBSLMPI-HNNXBMFYSA-N 1 3 343.479 1.539 20 0 EDADHO C[NH2+]CCN(C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415071974 486736918 /nfs/dbraw/zinc/73/69/18/486736918.db2.gz UYAJJZUCTQXRRU-UHFFFAOYSA-N 1 3 336.505 1.961 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000667513386 486816728 /nfs/dbraw/zinc/81/67/28/486816728.db2.gz SZZMMQVPFVKOQN-UHFFFAOYSA-N 1 3 346.475 1.807 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417815229 486814273 /nfs/dbraw/zinc/81/42/73/486814273.db2.gz SRIMKNYLRKFYTG-ZBFHGGJFSA-N 1 3 326.485 1.445 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667797470 486969014 /nfs/dbraw/zinc/96/90/14/486969014.db2.gz OEPUFZGXNKLKHJ-UHFFFAOYSA-N 1 3 331.464 1.971 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000681257421 486993014 /nfs/dbraw/zinc/99/30/14/486993014.db2.gz LECBGGIATJZVOF-HIFRSBDPSA-N 1 3 338.496 1.094 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccccc2-n2cncn2)CC1(C)C ZINC000685043689 487219815 /nfs/dbraw/zinc/21/98/15/487219815.db2.gz ZFCPZMCVFFTBRY-UHFFFAOYSA-N 1 3 328.464 1.383 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000502756350 487462414 /nfs/dbraw/zinc/46/24/14/487462414.db2.gz OQYDGBOGOGNKJZ-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO c1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)n(-c2ccncc2)n1 ZINC000668298918 485579934 /nfs/dbraw/zinc/57/99/34/485579934.db2.gz OBHCTFNYRMVBBB-QGZVFWFLSA-N 1 3 341.459 1.954 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000669486828 486253048 /nfs/dbraw/zinc/25/30/48/486253048.db2.gz BDZXSDCDXANBLM-YJBOKZPZSA-N 1 3 346.475 1.500 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2)CC1 ZINC000154889852 529153004 /nfs/dbraw/zinc/15/30/04/529153004.db2.gz VMYXRSSOOPZDLE-IBGZPJMESA-N 1 3 330.476 1.686 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000249861607 535322983 /nfs/dbraw/zinc/32/29/83/535322983.db2.gz ALEPCXCUQFTWGK-IRXDYDNUSA-N 1 3 325.497 1.868 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347930424 535730088 /nfs/dbraw/zinc/73/00/88/535730088.db2.gz XSQFFELWHFSKRL-AWEZNQCLSA-N 1 3 337.464 1.525 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000124383103 536339645 /nfs/dbraw/zinc/33/96/45/536339645.db2.gz QQDAZWAYLNJEJQ-CYBMUJFWSA-N 1 3 334.291 1.855 20 0 EDADHO Cc1cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nc(N)n1 ZINC000729184080 578560670 /nfs/dbraw/zinc/56/06/70/578560670.db2.gz AEBLLCGLLUIWEE-UHFFFAOYSA-N 1 3 340.475 1.621 20 0 EDADHO Cc1cc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)nc(N)n1 ZINC000729184080 578560671 /nfs/dbraw/zinc/56/06/71/578560671.db2.gz AEBLLCGLLUIWEE-UHFFFAOYSA-N 1 3 340.475 1.621 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754970 578783668 /nfs/dbraw/zinc/78/36/68/578783668.db2.gz ZGAOWLFXTDDUNZ-AWEZNQCLSA-N 1 3 328.526 1.046 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000734283129 578806515 /nfs/dbraw/zinc/80/65/15/578806515.db2.gz QGDSGTUDPCSNCZ-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO C[NH+]1CCC(CC[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736847569 579026193 /nfs/dbraw/zinc/02/61/93/579026193.db2.gz HQJNZJXSYOHVMH-UHFFFAOYSA-N 1 3 340.435 1.336 20 0 EDADHO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000749325432 579721804 /nfs/dbraw/zinc/72/18/04/579721804.db2.gz TXUOCEXDWSCHII-CRAIPNDOSA-N 1 3 343.512 1.972 20 0 EDADHO CCOCCNC(=S)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751012646 579791302 /nfs/dbraw/zinc/79/13/02/579791302.db2.gz YAIVIDSVYWYBLR-OAHLLOKOSA-N 1 3 330.542 1.245 20 0 EDADHO CCOCCNC(=S)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000751012646 579791303 /nfs/dbraw/zinc/79/13/03/579791303.db2.gz YAIVIDSVYWYBLR-OAHLLOKOSA-N 1 3 330.542 1.245 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NCc1ccon1 ZINC000764461613 580120776 /nfs/dbraw/zinc/12/07/76/580120776.db2.gz FYRYBTSOTBKGJE-OAHLLOKOSA-N 1 3 339.509 1.397 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NCc1ccon1 ZINC000764461613 580120777 /nfs/dbraw/zinc/12/07/77/580120777.db2.gz FYRYBTSOTBKGJE-OAHLLOKOSA-N 1 3 339.509 1.397 20 0 EDADHO COC(=O)COc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000767873465 580202572 /nfs/dbraw/zinc/20/25/72/580202572.db2.gz CHCTVXDYBCFDKO-ZBFHGGJFSA-N 1 3 336.432 1.346 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774296177 580358992 /nfs/dbraw/zinc/35/89/92/580358992.db2.gz FNNKKNXBNJWSEB-XIRDDKMYSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774296177 580358993 /nfs/dbraw/zinc/35/89/93/580358993.db2.gz FNNKKNXBNJWSEB-XIRDDKMYSA-N 1 3 330.428 1.919 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788210261 580714177 /nfs/dbraw/zinc/71/41/77/580714177.db2.gz WRPIIXNDBWHCKP-UHFFFAOYSA-N 1 3 341.496 1.262 20 0 EDADHO C[C@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN(Cc2ccccc2)C1 ZINC000891875536 590665116 /nfs/dbraw/zinc/66/51/16/590665116.db2.gz UWXLFHKENJCWFR-JENIJYKNSA-N 1 3 328.460 1.654 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000891894079 590675979 /nfs/dbraw/zinc/67/59/79/590675979.db2.gz DUBIFRANAUJJHR-WKILWMFISA-N 1 3 346.475 1.696 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000891981593 590724078 /nfs/dbraw/zinc/72/40/78/590724078.db2.gz MKIBTPDDBRJOOT-DOTOQJQBSA-N 1 3 340.512 1.374 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892055941 590776405 /nfs/dbraw/zinc/77/64/05/590776405.db2.gz NOMFBRFZCROKQN-WBVHZDCISA-N 1 3 340.512 1.552 20 0 EDADHO Cc1nccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1Br ZINC000892142347 590819822 /nfs/dbraw/zinc/81/98/22/590819822.db2.gz GCUUJOHGXQBOOW-NWDGAFQWSA-N 1 3 326.238 1.850 20 0 EDADHO Cc1nccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1Br ZINC000892142347 590819824 /nfs/dbraw/zinc/81/98/24/590819824.db2.gz GCUUJOHGXQBOOW-NWDGAFQWSA-N 1 3 326.238 1.850 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892155602 590827146 /nfs/dbraw/zinc/82/71/46/590827146.db2.gz HNLXLDPYYVZBQK-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000890883204 590831103 /nfs/dbraw/zinc/83/11/03/590831103.db2.gz MTEOQGXFTFQCAR-FQEVSTJZSA-N 1 3 347.503 1.670 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CCN(C2CC2)C1 ZINC000892332198 590959394 /nfs/dbraw/zinc/95/93/94/590959394.db2.gz LWWSIYLYOSWWTB-HNNXBMFYSA-N 1 3 342.487 1.958 20 0 EDADHO CN(C)S(=O)(=O)c1ccccc1CNCC1CC[NH+](C)CC1 ZINC000892531204 591061921 /nfs/dbraw/zinc/06/19/21/591061921.db2.gz LOYJGFANPZPOAR-UHFFFAOYSA-N 1 3 325.478 1.368 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599752 591088938 /nfs/dbraw/zinc/08/89/38/591088938.db2.gz UIKPEIVANYQGME-YVSFHVDLSA-N 1 3 338.496 1.269 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000891517876 591103298 /nfs/dbraw/zinc/10/32/98/591103298.db2.gz MQIWADAQWXSISP-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000891517876 591103300 /nfs/dbraw/zinc/10/33/00/591103300.db2.gz MQIWADAQWXSISP-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892790322 591179745 /nfs/dbraw/zinc/17/97/45/591179745.db2.gz ZWRJHNLWHGMNMW-SFHVURJKSA-N 1 3 330.476 1.828 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000892811448 591189570 /nfs/dbraw/zinc/18/95/70/591189570.db2.gz OPVONDROVWDLEM-RTBURBONSA-N 1 3 342.487 1.971 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798378 591227935 /nfs/dbraw/zinc/22/79/35/591227935.db2.gz MOUCVKNKGOSEDX-OWLYRPNTSA-N 1 3 328.460 1.653 20 0 EDADHO COC(=O)[C@@H]1[C@@H](CNC2CC[NH+](C3CCN(C)CC3)CC2)C1(F)F ZINC000894211307 591231927 /nfs/dbraw/zinc/23/19/27/591231927.db2.gz OIHMVVOMYXUTOY-CABCVRRESA-N 1 3 345.434 1.189 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc2nonc2c1 ZINC000895666567 591246621 /nfs/dbraw/zinc/24/66/21/591246621.db2.gz OCHGOCMKHUUAJF-ZDUSSCGKSA-N 1 3 348.451 1.294 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc2nonc2c1 ZINC000895666567 591246623 /nfs/dbraw/zinc/24/66/23/591246623.db2.gz OCHGOCMKHUUAJF-ZDUSSCGKSA-N 1 3 348.451 1.294 20 0 EDADHO C[NH+]1CCC(CN2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817521 591427891 /nfs/dbraw/zinc/42/78/91/591427891.db2.gz SCUFVUGUZKWGEC-INIZCTEOSA-N 1 3 341.496 1.944 20 0 EDADHO CO[C@H]1CCC[C@H]([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000894854260 591444340 /nfs/dbraw/zinc/44/43/40/591444340.db2.gz FBWXCXLUGLUVOR-IRXDYDNUSA-N 1 3 325.497 1.916 20 0 EDADHO CC1CCC(N2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896400589 591452785 /nfs/dbraw/zinc/45/27/85/591452785.db2.gz QSYTXRUIZURQAY-UHFFFAOYSA-N 1 3 349.519 1.820 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(C)(C)O1 ZINC000898647119 591456805 /nfs/dbraw/zinc/45/68/05/591456805.db2.gz PVZYVQNTGSYQTC-OAHLLOKOSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000896749210 591602739 /nfs/dbraw/zinc/60/27/39/591602739.db2.gz OQMYMJGBXQGBGL-MRXNPFEDSA-N 1 3 336.480 1.119 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695949 591620993 /nfs/dbraw/zinc/62/09/93/591620993.db2.gz WJPUEKSZBYCMFT-KSSFIOAISA-N 1 3 341.496 1.821 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695949 591620996 /nfs/dbraw/zinc/62/09/96/591620996.db2.gz WJPUEKSZBYCMFT-KSSFIOAISA-N 1 3 341.496 1.821 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900339892 591988960 /nfs/dbraw/zinc/98/89/60/591988960.db2.gz SPPXEIZTLIMDPQ-YJBOKZPZSA-N 1 3 343.475 1.789 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900339892 591988961 /nfs/dbraw/zinc/98/89/61/591988961.db2.gz SPPXEIZTLIMDPQ-YJBOKZPZSA-N 1 3 343.475 1.789 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395551 591990488 /nfs/dbraw/zinc/99/04/88/591990488.db2.gz GUGUKGQRTXTROG-ZIAGYGMSSA-N 1 3 329.452 1.071 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC000902403897 591991301 /nfs/dbraw/zinc/99/13/01/591991301.db2.gz UMODTEUTGWFLHE-ROUUACIJSA-N 1 3 338.540 1.151 20 0 EDADHO O=c1cc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503410 592003659 /nfs/dbraw/zinc/00/36/59/592003659.db2.gz XJGIANFZDNFRTD-ZJIFWQFVSA-N 1 3 331.464 1.661 20 0 EDADHO Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000900406221 592009768 /nfs/dbraw/zinc/00/97/68/592009768.db2.gz PBWXCDDHMPSTMQ-HKUYNNGSSA-N 1 3 333.476 1.561 20 0 EDADHO Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000900406221 592009771 /nfs/dbraw/zinc/00/97/71/592009771.db2.gz PBWXCDDHMPSTMQ-HKUYNNGSSA-N 1 3 333.476 1.561 20 0 EDADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903148025 592128914 /nfs/dbraw/zinc/12/89/14/592128914.db2.gz PBYOZGQDZZINGB-QYZOEREBSA-N 1 3 332.444 1.291 20 0 EDADHO CCN1CCN(C(=O)CC2CCN(C[C@@H]3C[NH2+]C[C@H]3C)CC2)CC1 ZINC000903443609 592172567 /nfs/dbraw/zinc/17/25/67/592172567.db2.gz FIDBWQDXMPQHJJ-AEFFLSMTSA-N 1 3 336.524 1.108 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903482438 592176981 /nfs/dbraw/zinc/17/69/81/592176981.db2.gz HWQXJFIULDXHIF-CABCVRRESA-N 1 3 331.416 1.015 20 0 EDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482438 592176983 /nfs/dbraw/zinc/17/69/83/592176983.db2.gz HWQXJFIULDXHIF-CABCVRRESA-N 1 3 331.416 1.015 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C)C(=O)N(C)c1ccccc1)C2 ZINC000903491768 592185104 /nfs/dbraw/zinc/18/51/04/592185104.db2.gz AEZONZMKVHLQRD-ZTENYAIWSA-N 1 3 345.443 1.250 20 0 EDADHO C[C@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497196 592188370 /nfs/dbraw/zinc/18/83/70/592188370.db2.gz PUESBLVEXBXILK-MGPQQGTHSA-N 1 3 339.430 1.929 20 0 EDADHO Cn1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nnc1C1CC1 ZINC000903508659 592189219 /nfs/dbraw/zinc/18/92/19/592189219.db2.gz PQICIGOPPBTZQH-IYBDPMFKSA-N 1 3 330.480 1.093 20 0 EDADHO Cn1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nnc1C1CC1 ZINC000903508659 592189220 /nfs/dbraw/zinc/18/92/20/592189220.db2.gz PQICIGOPPBTZQH-IYBDPMFKSA-N 1 3 330.480 1.093 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)Nc1cccc(F)c1 ZINC000903511753 592191136 /nfs/dbraw/zinc/19/11/36/592191136.db2.gz YDOOAGNWOQPPNZ-HDICACEKSA-N 1 3 346.450 1.665 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)Nc1cccc(F)c1 ZINC000903511753 592191138 /nfs/dbraw/zinc/19/11/38/592191138.db2.gz YDOOAGNWOQPPNZ-HDICACEKSA-N 1 3 346.450 1.665 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656747 592239191 /nfs/dbraw/zinc/23/91/91/592239191.db2.gz TWYMKLZREAFASI-ZDUSSCGKSA-N 1 3 332.448 1.419 20 0 EDADHO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc(N2CCNCC2)o1 ZINC000904374894 592240962 /nfs/dbraw/zinc/24/09/62/592240962.db2.gz XKZNSBSRIXCAEO-SFHVURJKSA-N 1 3 326.444 1.747 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103928 592245973 /nfs/dbraw/zinc/24/59/73/592245973.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103928 592245977 /nfs/dbraw/zinc/24/59/77/592245977.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1CN ZINC000906665572 592248139 /nfs/dbraw/zinc/24/81/39/592248139.db2.gz ZIWKOHQRSDHBBL-CYBMUJFWSA-N 1 3 332.448 1.273 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904509713 592273838 /nfs/dbraw/zinc/27/38/38/592273838.db2.gz JYWINTUYHBGAKO-SJORKVTESA-N 1 3 332.448 1.469 20 0 EDADHO CC(C)[C@H](C)NC(=O)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727082 592286016 /nfs/dbraw/zinc/28/60/16/592286016.db2.gz PVTYLFPZULPNAZ-WDYCEAGBSA-N 1 3 337.508 1.628 20 0 EDADHO O=S(=O)(CCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749668 592294305 /nfs/dbraw/zinc/29/43/05/592294305.db2.gz ODWGCAGZKFUOOX-HOTGVXAUSA-N 1 3 337.489 1.750 20 0 EDADHO COC(=O)CCN(C[C@@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753780 592296588 /nfs/dbraw/zinc/29/65/88/592296588.db2.gz YDCNMFTUJWECBW-HOTGVXAUSA-N 1 3 340.464 1.189 20 0 EDADHO CCCCNC(=O)C1(NC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734246 592297834 /nfs/dbraw/zinc/29/78/34/592297834.db2.gz WLTOHYUZBYGMCG-WMZOPIPTSA-N 1 3 337.508 1.964 20 0 EDADHO C[C@H]1CC2(CN1CCS(=O)(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000903763795 592307438 /nfs/dbraw/zinc/30/74/38/592307438.db2.gz NBJGVZUPKFKFDT-HNNXBMFYSA-N 1 3 337.489 1.892 20 0 EDADHO Cc1cc(NC(=O)CN2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000903879135 592359851 /nfs/dbraw/zinc/35/98/51/592359851.db2.gz UCSFLRBFTSMQDL-MQVJKMGUSA-N 1 3 347.463 1.070 20 0 EDADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)C[C@@]1(O)CCOC1 ZINC000905036866 592374628 /nfs/dbraw/zinc/37/46/28/592374628.db2.gz VYKPKLNFNCDTKN-MOPGFXCFSA-N 1 3 334.460 1.274 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCNC[C@H]1c1ccccc1 ZINC000903930297 592382819 /nfs/dbraw/zinc/38/28/19/592382819.db2.gz WQJQXBYBPMFDOB-AEFFLSMTSA-N 1 3 326.448 1.349 20 0 EDADHO COC(=O)CC[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937037 592388117 /nfs/dbraw/zinc/38/81/17/592388117.db2.gz AHXOFBZIYSGMTO-CVEARBPZSA-N 1 3 336.480 1.511 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)CCC3(O)CCC3)CC2)CC1 ZINC000905082037 592389499 /nfs/dbraw/zinc/38/94/99/592389499.db2.gz RPPYKZFZXKMIHR-SFHVURJKSA-N 1 3 339.524 1.191 20 0 EDADHO COCCC[NH+]1CCC(NC[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905089799 592393232 /nfs/dbraw/zinc/39/32/32/592393232.db2.gz REOWCBSWDIXGDK-OALUTQOASA-N 1 3 336.476 1.562 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC1=Cc3ccccc3OC1)C2 ZINC000903976998 592398390 /nfs/dbraw/zinc/39/83/90/592398390.db2.gz HBSLJABCTUHLJQ-FCEWJHQRSA-N 1 3 328.412 1.675 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986707 592405942 /nfs/dbraw/zinc/40/59/42/592405942.db2.gz PXJQNZNIEQRRBQ-HFTRVMKXSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986707 592405948 /nfs/dbraw/zinc/40/59/48/592405948.db2.gz PXJQNZNIEQRRBQ-HFTRVMKXSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986707 592405955 /nfs/dbraw/zinc/40/59/55/592405955.db2.gz PXJQNZNIEQRRBQ-HFTRVMKXSA-N 1 3 349.479 1.056 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000904282639 592468755 /nfs/dbraw/zinc/46/87/55/592468755.db2.gz UNYJQBXGIRHJRC-QGZVFWFLSA-N 1 3 345.491 1.948 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000905342083 592512032 /nfs/dbraw/zinc/51/20/32/592512032.db2.gz FEPFCCWIWBGJRN-NVXWUHKLSA-N 1 3 341.521 1.265 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502909 592546278 /nfs/dbraw/zinc/54/62/78/592546278.db2.gz LWWOQGYUOZKPMJ-ZKXLYKBJSA-N 1 3 328.497 1.232 20 0 EDADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504805 592547009 /nfs/dbraw/zinc/54/70/09/592547009.db2.gz YGJIVLORWBNZDN-NNIGNNQHSA-N 1 3 342.524 1.623 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496381 592553695 /nfs/dbraw/zinc/55/36/95/592553695.db2.gz SCZFICBYKOLDTC-PNKHAZJDSA-N 1 3 340.508 1.112 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1ccccc1 ZINC000911632722 592970416 /nfs/dbraw/zinc/97/04/16/592970416.db2.gz JKURLTGWJGLOAF-GGPKGHCWSA-N 1 3 345.487 1.812 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634084 592970926 /nfs/dbraw/zinc/97/09/26/592970926.db2.gz ZGKZTTLDZHECHM-MJGOQNOKSA-N 1 3 333.476 1.690 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911664207 592973089 /nfs/dbraw/zinc/97/30/89/592973089.db2.gz JCFRWLQMKQKGJA-MRXNPFEDSA-N 1 3 341.411 1.607 20 0 EDADHO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(N)C[C@@H]1c1ccccc1 ZINC000911663538 592973245 /nfs/dbraw/zinc/97/32/45/592973245.db2.gz DVQNQTNXFUDCFW-GPMSIDNRSA-N 1 3 325.412 1.696 20 0 EDADHO C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)N1 ZINC000911798688 593012259 /nfs/dbraw/zinc/01/22/59/593012259.db2.gz WEHAFWBQCWJUEU-HZPDHXFCSA-N 1 3 333.476 1.768 20 0 EDADHO CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000912406846 593093746 /nfs/dbraw/zinc/09/37/46/593093746.db2.gz FNXVCUDUHPJLAB-BPQIPLTHSA-N 1 3 349.523 1.992 20 0 EDADHO CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1)N(C)C ZINC000912406846 593093747 /nfs/dbraw/zinc/09/37/47/593093747.db2.gz FNXVCUDUHPJLAB-BPQIPLTHSA-N 1 3 349.523 1.992 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874399 593485060 /nfs/dbraw/zinc/48/50/60/593485060.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811874399 593485061 /nfs/dbraw/zinc/48/50/61/593485061.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891582 593645639 /nfs/dbraw/zinc/64/56/39/593645639.db2.gz DNKBULNUGDOPOX-HZPDHXFCSA-N 1 3 325.478 1.213 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135201 593740779 /nfs/dbraw/zinc/74/07/79/593740779.db2.gz VBOXWPUFZANJKZ-RRFJBIMHSA-N 1 3 329.485 1.725 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000824825535 594080614 /nfs/dbraw/zinc/08/06/14/594080614.db2.gz BFOXUUHGBYFQHH-BHYGNILZSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000824825535 594080615 /nfs/dbraw/zinc/08/06/15/594080615.db2.gz BFOXUUHGBYFQHH-BHYGNILZSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000825868379 594265522 /nfs/dbraw/zinc/26/55/22/594265522.db2.gz OWSWPODXKSOFRC-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CN(CCN1CCN(C(=O)CCCCC[NH3+])CC1)Cc1ccccc1 ZINC000828715271 594485917 /nfs/dbraw/zinc/48/59/17/594485917.db2.gz IQJYSRLRAMPHKJ-UHFFFAOYSA-N 1 3 346.519 1.782 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684002 /nfs/dbraw/zinc/68/40/02/594684002.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 1 3 333.398 1.813 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684003 /nfs/dbraw/zinc/68/40/03/594684003.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684004 /nfs/dbraw/zinc/68/40/04/594684004.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594684005 /nfs/dbraw/zinc/68/40/05/594684005.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 1 3 333.398 1.813 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684070 /nfs/dbraw/zinc/68/40/70/594684070.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 1 3 333.398 1.813 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684071 /nfs/dbraw/zinc/68/40/71/594684071.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684072 /nfs/dbraw/zinc/68/40/72/594684072.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 1 3 333.398 1.813 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684073 /nfs/dbraw/zinc/68/40/73/594684073.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 1 3 333.398 1.813 20 0 EDADHO COCC1(CNCc2cc(Br)nn2C)CC[NH2+]CC1 ZINC000841068549 594846761 /nfs/dbraw/zinc/84/67/61/594846761.db2.gz QLLCHIDRMPXVJN-UHFFFAOYSA-N 1 3 331.258 1.288 20 0 EDADHO COCCNCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752055 594947838 /nfs/dbraw/zinc/94/78/38/594947838.db2.gz FJMVQYHGMIXXSE-UHFFFAOYSA-N 1 3 340.512 1.566 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000841833188 594959737 /nfs/dbraw/zinc/95/97/37/594959737.db2.gz SYBJDIHPSVKUAZ-AEFFLSMTSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833188 594959739 /nfs/dbraw/zinc/95/97/39/594959739.db2.gz SYBJDIHPSVKUAZ-AEFFLSMTSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NCCCCCCC[NH+]1CCCC1)N1CCOC2(CNC2)C1 ZINC000841849904 594965026 /nfs/dbraw/zinc/96/50/26/594965026.db2.gz OVNNCOFDWHAIEN-UHFFFAOYSA-N 1 3 338.496 1.417 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841976371 594993884 /nfs/dbraw/zinc/99/38/84/594993884.db2.gz CEIBJUIGXPZNNK-GOSISDBHSA-N 1 3 332.492 1.944 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842262315 595058689 /nfs/dbraw/zinc/05/86/89/595058689.db2.gz DCRQTCNQWVOWAP-UHFFFAOYSA-N 1 3 348.491 1.340 20 0 EDADHO C[C@H]1CCCC[C@H]1OCCNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355407 595085660 /nfs/dbraw/zinc/08/56/60/595085660.db2.gz NDXRNZFYMWPWJN-ZGRYLRDCSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000844172432 595290967 /nfs/dbraw/zinc/29/09/67/595290967.db2.gz XWEUUPMIIAIQGP-JFIYKMOQSA-N 1 3 337.508 1.772 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875529 595330604 /nfs/dbraw/zinc/33/06/04/595330604.db2.gz SKOBRPWPSPRUOV-QAPCUYQASA-N 1 3 341.496 1.774 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875529 595330607 /nfs/dbraw/zinc/33/06/07/595330607.db2.gz SKOBRPWPSPRUOV-QAPCUYQASA-N 1 3 341.496 1.774 20 0 EDADHO CCCCCCNC(=[NH2+])NCC(=O)NCCN1CCCCCC1 ZINC000849103740 595482312 /nfs/dbraw/zinc/48/23/12/595482312.db2.gz YYHUKQAOLCPIMY-UHFFFAOYSA-N 1 3 325.501 1.673 20 0 EDADHO COc1ccccc1CNC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849108521 595483022 /nfs/dbraw/zinc/48/30/22/595483022.db2.gz WNEGBDODSBGSFZ-UHFFFAOYSA-N 1 3 333.480 1.335 20 0 EDADHO C[C@H]1CCCN(C(=[NH2+])NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000849116375 595484568 /nfs/dbraw/zinc/48/45/68/595484568.db2.gz OIYBKJVFHKEHOA-INIZCTEOSA-N 1 3 337.512 1.039 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCC2(O)CCN(Cc3ccccc3)CC2)CCO1 ZINC000849117869 595484996 /nfs/dbraw/zinc/48/49/96/595484996.db2.gz YWFNUMTTZOOXAM-INIZCTEOSA-N 1 3 346.475 1.259 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849485443 595547967 /nfs/dbraw/zinc/54/79/67/595547967.db2.gz WVMYIKRJLGOYFC-QZTJIDSGSA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557839 /nfs/dbraw/zinc/55/78/39/595557839.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557843 /nfs/dbraw/zinc/55/78/43/595557843.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 1 3 347.507 1.444 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555896 595566457 /nfs/dbraw/zinc/56/64/57/595566457.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 1 3 345.491 1.151 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555896 595566459 /nfs/dbraw/zinc/56/64/59/595566459.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 1 3 345.491 1.151 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000852858773 595579810 /nfs/dbraw/zinc/57/98/10/595579810.db2.gz GWPDAQYWZAIATR-UHFFFAOYSA-N 1 3 329.444 1.892 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602805 595590856 /nfs/dbraw/zinc/59/08/56/595590856.db2.gz QWCQGWJUOXYSRH-IAGOWNOFSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612368 595596706 /nfs/dbraw/zinc/59/67/06/595596706.db2.gz KNUFQQYYDLETIH-IAGOWNOFSA-N 1 3 349.523 1.738 20 0 EDADHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606861 596031588 /nfs/dbraw/zinc/03/15/88/596031588.db2.gz PNSWUWXIOPANBA-MAUKXSAKSA-N 1 3 346.475 1.654 20 0 EDADHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606861 596031593 /nfs/dbraw/zinc/03/15/93/596031593.db2.gz PNSWUWXIOPANBA-MAUKXSAKSA-N 1 3 346.475 1.654 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870868396 596383633 /nfs/dbraw/zinc/38/36/33/596383633.db2.gz GCQGRFSKKQRBAI-UHFFFAOYSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000869236560 596456264 /nfs/dbraw/zinc/45/62/64/596456264.db2.gz CAZASGCRBIPNHK-DOTOQJQBSA-N 1 3 333.476 1.768 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1Cc2ccccc2O1 ZINC000869236560 596456265 /nfs/dbraw/zinc/45/62/65/596456265.db2.gz CAZASGCRBIPNHK-DOTOQJQBSA-N 1 3 333.476 1.768 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC000869237497 596456798 /nfs/dbraw/zinc/45/67/98/596456798.db2.gz SZRQEXGZVMTHEP-OFAQMXQXSA-N 1 3 331.460 1.901 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/c1ccc(C=O)cc1 ZINC000869237497 596456802 /nfs/dbraw/zinc/45/68/02/596456802.db2.gz SZRQEXGZVMTHEP-OFAQMXQXSA-N 1 3 331.460 1.901 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000869766805 596623421 /nfs/dbraw/zinc/62/34/21/596623421.db2.gz XETMDZGBFOBZQK-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871817964 596712627 /nfs/dbraw/zinc/71/26/27/596712627.db2.gz IBBAXGITRLFXAP-INIZCTEOSA-N 1 3 343.537 1.704 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000868229721 596736143 /nfs/dbraw/zinc/73/61/43/596736143.db2.gz UCPAXHFITTVSCL-IXDOHACOSA-N 1 3 342.443 1.136 20 0 EDADHO CC1(C)CCCN1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242998 596742230 /nfs/dbraw/zinc/74/22/30/596742230.db2.gz DGJPWDAJUDDUKN-JKSUJKDBSA-N 1 3 344.459 1.430 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866074021 596778879 /nfs/dbraw/zinc/77/88/79/596778879.db2.gz XHJVLIWTWYSNPK-MCIONIFRSA-N 1 3 342.484 1.040 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866074021 596778882 /nfs/dbraw/zinc/77/88/82/596778882.db2.gz XHJVLIWTWYSNPK-MCIONIFRSA-N 1 3 342.484 1.040 20 0 EDADHO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000872252572 596855051 /nfs/dbraw/zinc/85/50/51/596855051.db2.gz TXYLJZQAVKXZOI-PMUMKWKESA-N 1 3 338.448 1.172 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000872256208 596856612 /nfs/dbraw/zinc/85/66/12/596856612.db2.gz QTGUJAIRPPFPQM-AHEZYBDSSA-N 1 3 343.427 1.420 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000872257395 596857163 /nfs/dbraw/zinc/85/71/63/596857163.db2.gz QOPPEGSOGNQEBW-KFGODFMUSA-N 1 3 327.428 1.657 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875042346 597256620 /nfs/dbraw/zinc/25/66/20/597256620.db2.gz RLNHLHONODPILN-INIZCTEOSA-N 1 3 340.512 1.251 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876751879 597322038 /nfs/dbraw/zinc/32/20/38/597322038.db2.gz ZXGLZXWQSRIAMC-JKSUJKDBSA-N 1 3 333.480 1.720 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2O1 ZINC000876779065 597337935 /nfs/dbraw/zinc/33/79/35/597337935.db2.gz VJQBHTYQAVQBNM-YJLNNSPDSA-N 1 3 329.444 1.874 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875346947 597393672 /nfs/dbraw/zinc/39/36/72/597393672.db2.gz TZUORMDQUUHJCX-ILXRZTDVSA-N 1 3 326.485 1.004 20 0 EDADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000877249508 597479038 /nfs/dbraw/zinc/47/90/38/597479038.db2.gz WIQKZIHIBDQQJM-FGTMMUONSA-N 1 3 331.460 1.521 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281576 597486008 /nfs/dbraw/zinc/48/60/08/597486008.db2.gz IQGAJNUPUDNKCH-OALUTQOASA-N 1 3 342.487 1.552 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448349 597517016 /nfs/dbraw/zinc/51/70/16/597517016.db2.gz DNSYCWLYYDJRFB-VNQPRFMTSA-N 1 3 339.480 1.413 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431910 597744188 /nfs/dbraw/zinc/74/41/88/597744188.db2.gz GKMQXJXARFUJCE-DLBZAZTESA-N 1 3 349.479 1.350 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431910 597744189 /nfs/dbraw/zinc/74/41/89/597744189.db2.gz GKMQXJXARFUJCE-DLBZAZTESA-N 1 3 349.479 1.350 20 0 EDADHO CC1(N2CCC2)CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000880474883 597940665 /nfs/dbraw/zinc/94/06/65/597940665.db2.gz PMHAGSPDMJGAPO-UHFFFAOYSA-N 1 3 344.459 1.674 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000889332797 597941763 /nfs/dbraw/zinc/94/17/63/597941763.db2.gz LDSJQMBTZXATHC-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000889332797 597941766 /nfs/dbraw/zinc/94/17/66/597941766.db2.gz LDSJQMBTZXATHC-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO COCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000884223293 598034387 /nfs/dbraw/zinc/03/43/87/598034387.db2.gz NEPDDJFEAMANKL-MRXNPFEDSA-N 1 3 335.448 1.772 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914268300 695318825 /nfs/dbraw/zinc/31/88/25/695318825.db2.gz WPUGWNLBXDYZBH-BBWFWOEESA-N 1 3 341.521 1.218 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914268300 695318827 /nfs/dbraw/zinc/31/88/27/695318827.db2.gz WPUGWNLBXDYZBH-BBWFWOEESA-N 1 3 341.521 1.218 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915566817 695947769 /nfs/dbraw/zinc/94/77/69/695947769.db2.gz GCEAOASHYNSUNM-IKGGRYGDSA-N 1 3 341.521 1.361 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCc1ccnn1C ZINC000993759105 696351982 /nfs/dbraw/zinc/35/19/82/696351982.db2.gz KGMFXSPUWFZQQL-YJBOKZPZSA-N 1 3 347.507 1.274 20 0 EDADHO CC[C@H](C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)N(C)C ZINC000993864830 696440738 /nfs/dbraw/zinc/44/07/38/696440738.db2.gz FKWJMWYOLAZQDU-QGZVFWFLSA-N 1 3 346.475 1.029 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)O)CC2)N(C)C ZINC001040835735 697232839 /nfs/dbraw/zinc/23/28/39/697232839.db2.gz NXNFGLOGKWCOEM-JKSUJKDBSA-N 1 3 325.497 1.268 20 0 EDADHO C[C@@H](F)CCN1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118706 699000331 /nfs/dbraw/zinc/00/03/31/699000331.db2.gz QCNUEBNQRZNIRX-CQSZACIVSA-N 1 3 325.472 1.905 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512474 701565745 /nfs/dbraw/zinc/56/57/45/701565745.db2.gz JIURHMZJQDVWAH-UHFFFAOYSA-N 1 3 336.524 1.489 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)CC3)C2)C1 ZINC000941567488 701579939 /nfs/dbraw/zinc/57/99/39/701579939.db2.gz UVXINPAKWLSFFZ-WWDZGPRUSA-N 1 3 348.535 1.203 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[N@H+]4CC[C@@H](C)C4)CC3)C2)C1 ZINC000941567488 701579940 /nfs/dbraw/zinc/57/99/40/701579940.db2.gz UVXINPAKWLSFFZ-WWDZGPRUSA-N 1 3 348.535 1.203 20 0 EDADHO CCn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165412 701610698 /nfs/dbraw/zinc/61/06/98/701610698.db2.gz DQJIIKFDAJITGH-HZPDHXFCSA-N 1 3 345.491 1.373 20 0 EDADHO Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000940148690 700281462 /nfs/dbraw/zinc/28/14/62/700281462.db2.gz CVLVNPSYDRUQIX-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)o1 ZINC000940149934 700283053 /nfs/dbraw/zinc/28/30/53/700283053.db2.gz SCRHMTHZSRPLGA-MRXNPFEDSA-N 1 3 334.464 1.794 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000940176324 700308614 /nfs/dbraw/zinc/30/86/14/700308614.db2.gz FEIAPHHOZUITGW-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328004 700505643 /nfs/dbraw/zinc/50/56/43/700505643.db2.gz CFFVKXZDAFKXBB-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328004 700505646 /nfs/dbraw/zinc/50/56/46/700505646.db2.gz CFFVKXZDAFKXBB-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)ccn2)CC1)N(C)C ZINC000940334769 700514857 /nfs/dbraw/zinc/51/48/57/700514857.db2.gz PHPVJXFVEZWJLA-KRWDZBQOSA-N 1 3 348.491 1.901 20 0 EDADHO Cc1cc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC000995168901 701667330 /nfs/dbraw/zinc/66/73/30/701667330.db2.gz PUHZVYBOQUFTFP-CVEARBPZSA-N 1 3 345.491 1.199 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748284 700873976 /nfs/dbraw/zinc/87/39/76/700873976.db2.gz WXWYODKRERPATK-JKSUJKDBSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748284 700873977 /nfs/dbraw/zinc/87/39/77/700873977.db2.gz WXWYODKRERPATK-JKSUJKDBSA-N 1 3 339.524 1.848 20 0 EDADHO CC[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518375 706602465 /nfs/dbraw/zinc/60/24/65/706602465.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 1 3 337.508 1.676 20 0 EDADHO CC[C@@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518375 706602467 /nfs/dbraw/zinc/60/24/67/706602467.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 1 3 337.508 1.676 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(CC(C)C)C3)CC2)CC[N@@H+]1C ZINC000941414741 701529098 /nfs/dbraw/zinc/52/90/98/701529098.db2.gz ZGRUEGZZJVHZGH-ZWKOTPCHSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCN(C3CN(CC(C)C)C3)CC2)CC[N@H+]1C ZINC000941414741 701529099 /nfs/dbraw/zinc/52/90/99/701529099.db2.gz ZGRUEGZZJVHZGH-ZWKOTPCHSA-N 1 3 336.524 1.201 20 0 EDADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191517 706633902 /nfs/dbraw/zinc/63/39/02/706633902.db2.gz YWQYKRAKEXFLLC-OWCLPIDISA-N 1 3 348.495 1.027 20 0 EDADHO CCn1nnc(C)c1CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191517 706633904 /nfs/dbraw/zinc/63/39/04/706633904.db2.gz YWQYKRAKEXFLLC-OWCLPIDISA-N 1 3 348.495 1.027 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)CCC1 ZINC000995882892 702215639 /nfs/dbraw/zinc/21/56/39/702215639.db2.gz CAGKVZRXZOXGSU-INIZCTEOSA-N 1 3 347.507 1.274 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996221948 702632754 /nfs/dbraw/zinc/63/27/54/702632754.db2.gz LJEHZTQDCNDIEI-KRWDZBQOSA-N 1 3 345.491 1.453 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCn2nc(C)cc2C)C(C)(C)C1)N(C)C ZINC000996313601 702702119 /nfs/dbraw/zinc/70/21/19/702702119.db2.gz FKZPJQRLTBWEIC-IRXDYDNUSA-N 1 3 349.523 1.667 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000996354474 702732437 /nfs/dbraw/zinc/73/24/37/702732437.db2.gz ILTJJCYZBWOFJW-SJORKVTESA-N 1 3 348.491 1.720 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)n1 ZINC000996357595 702734529 /nfs/dbraw/zinc/73/45/29/702734529.db2.gz YZLCKCVVAGQFMJ-INIZCTEOSA-N 1 3 344.463 1.292 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000996674256 702969332 /nfs/dbraw/zinc/96/93/32/702969332.db2.gz BFWYVGNGFLOMES-SUMWQHHRSA-N 1 3 331.464 1.458 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)C1CC1 ZINC000996674848 702970081 /nfs/dbraw/zinc/97/00/81/702970081.db2.gz CYSWKTJCACZIPL-SFHVURJKSA-N 1 3 346.475 1.973 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000996688260 702985506 /nfs/dbraw/zinc/98/55/06/702985506.db2.gz HKWHXPYPOYJTPS-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)nn1C ZINC000996688260 702985508 /nfs/dbraw/zinc/98/55/08/702985508.db2.gz HKWHXPYPOYJTPS-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)o1 ZINC000996717726 703011309 /nfs/dbraw/zinc/01/13/09/703011309.db2.gz CCIFJKSWHYWDKZ-INIZCTEOSA-N 1 3 334.464 1.856 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996976115 703241621 /nfs/dbraw/zinc/24/16/21/703241621.db2.gz DCHRZAPHWWFGOU-QGZVFWFLSA-N 1 3 336.480 1.904 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996938 703260409 /nfs/dbraw/zinc/26/04/09/703260409.db2.gz CDDMRDOULBCWDX-OAHLLOKOSA-N 1 3 333.480 1.028 20 0 EDADHO CCc1nnc([C@@H](C)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185863 703475073 /nfs/dbraw/zinc/47/50/73/703475073.db2.gz SXTJGNMCBZJSJF-ZIAGYGMSSA-N 1 3 348.495 1.351 20 0 EDADHO CCc1nnc([C@@H](C)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185863 703475074 /nfs/dbraw/zinc/47/50/74/703475074.db2.gz SXTJGNMCBZJSJF-ZIAGYGMSSA-N 1 3 348.495 1.351 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997188035 703477668 /nfs/dbraw/zinc/47/76/68/703477668.db2.gz YIBGXYCKCUGTOJ-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997188035 703477669 /nfs/dbraw/zinc/47/76/69/703477669.db2.gz YIBGXYCKCUGTOJ-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000997306741 703565217 /nfs/dbraw/zinc/56/52/17/703565217.db2.gz KJSRVCLYZZWBNV-UHFFFAOYSA-N 1 3 343.471 1.893 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366832 703600866 /nfs/dbraw/zinc/60/08/66/703600866.db2.gz NHXUZNZVPKKHGA-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000997611781 703911930 /nfs/dbraw/zinc/91/19/30/703911930.db2.gz HIGFFZDPXVXGBL-YJBOKZPZSA-N 1 3 345.491 1.768 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cnccn1 ZINC000997615844 703914911 /nfs/dbraw/zinc/91/49/11/703914911.db2.gz XBUCFYWLBUPNTF-PBHICJAKSA-N 1 3 331.464 1.460 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999294605 706792093 /nfs/dbraw/zinc/79/20/93/706792093.db2.gz VUWWMMIWSNZPBP-WSTOCAFGSA-N 1 3 345.491 1.594 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999294605 706792094 /nfs/dbraw/zinc/79/20/94/706792094.db2.gz VUWWMMIWSNZPBP-WSTOCAFGSA-N 1 3 345.491 1.594 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999308068 706808653 /nfs/dbraw/zinc/80/86/53/706808653.db2.gz OUHDNVDPAMXYPT-ROUUACIJSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999308068 706808655 /nfs/dbraw/zinc/80/86/55/706808655.db2.gz OUHDNVDPAMXYPT-ROUUACIJSA-N 1 3 347.507 1.684 20 0 EDADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)CCC1 ZINC001004459394 704453010 /nfs/dbraw/zinc/45/30/10/704453010.db2.gz UGEIJEHHQKDNEL-KRWDZBQOSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCO)CC2)CCC1 ZINC001004459394 704453011 /nfs/dbraw/zinc/45/30/11/704453011.db2.gz UGEIJEHHQKDNEL-KRWDZBQOSA-N 1 3 337.508 1.556 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1)C1CCC1 ZINC000997831486 704749708 /nfs/dbraw/zinc/74/97/08/704749708.db2.gz TXOBAEKZBJXKOT-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CCC1 ZINC000997832124 704750253 /nfs/dbraw/zinc/75/02/53/704750253.db2.gz ZPXBEJCJVKHSBW-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccnc(OC)c2)CC1)N(C)C ZINC000997856289 704764769 /nfs/dbraw/zinc/76/47/69/704764769.db2.gz SUBIWPVIFSEDMG-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000998047670 705244495 /nfs/dbraw/zinc/24/44/95/705244495.db2.gz SCYBNXHWTUMZBA-QZTJIDSGSA-N 1 3 339.524 1.970 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081208 705301162 /nfs/dbraw/zinc/30/11/62/705301162.db2.gz GVHIKNBLLQJNRJ-OAHLLOKOSA-N 1 3 348.466 1.891 20 0 EDADHO CCn1cc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC000998082493 705309470 /nfs/dbraw/zinc/30/94/70/705309470.db2.gz PWKZOVLEKPSAMJ-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1cc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1 ZINC000998082493 705309472 /nfs/dbraw/zinc/30/94/72/705309472.db2.gz PWKZOVLEKPSAMJ-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998218010 705540971 /nfs/dbraw/zinc/54/09/71/705540971.db2.gz VVRCSEOLVMMXNF-HNNXBMFYSA-N 1 3 336.505 1.813 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998218010 705540974 /nfs/dbraw/zinc/54/09/74/705540974.db2.gz VVRCSEOLVMMXNF-HNNXBMFYSA-N 1 3 336.505 1.813 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000998266795 705635725 /nfs/dbraw/zinc/63/57/25/705635725.db2.gz REKQCTGDMIDJLI-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000998266795 705635726 /nfs/dbraw/zinc/63/57/26/705635726.db2.gz REKQCTGDMIDJLI-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998549152 705985471 /nfs/dbraw/zinc/98/54/71/705985471.db2.gz KOORYAKPFHFHQS-ABHNRTSZSA-N 1 3 347.507 1.946 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)sn1 ZINC000998553386 705990979 /nfs/dbraw/zinc/99/09/79/705990979.db2.gz WMYWIOFRSSPAHI-YIZWMMSDSA-N 1 3 338.477 1.325 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722083 706153555 /nfs/dbraw/zinc/15/35/55/706153555.db2.gz ODRONNFDSYLMEO-GJZGRUSLSA-N 1 3 336.867 1.910 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC(NCc2ccccn2)C1 ZINC000998781332 706222472 /nfs/dbraw/zinc/22/24/72/706222472.db2.gz VXAMJCPNDGFDGW-DAWZGUTISA-N 1 3 328.460 1.502 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000998790661 706237486 /nfs/dbraw/zinc/23/74/86/706237486.db2.gz BORWVTFSUSLICZ-RKHAHWSXSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000998790661 706237490 /nfs/dbraw/zinc/23/74/90/706237490.db2.gz BORWVTFSUSLICZ-RKHAHWSXSA-N 1 3 331.464 1.204 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998796486 706243440 /nfs/dbraw/zinc/24/34/40/706243440.db2.gz OQYYUOCKFYDBLI-TWRYWWQQSA-N 1 3 334.464 1.656 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998796486 706243442 /nfs/dbraw/zinc/24/34/42/706243442.db2.gz OQYYUOCKFYDBLI-TWRYWWQQSA-N 1 3 334.464 1.656 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555170 /nfs/dbraw/zinc/55/51/70/706555170.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 1 3 335.492 1.288 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555174 /nfs/dbraw/zinc/55/51/74/706555174.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 1 3 335.492 1.288 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999340475 706851888 /nfs/dbraw/zinc/85/18/88/706851888.db2.gz YIXYUKYDTLAZBB-UHFFFAOYSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cnc([C@@H](C)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999342602 706854701 /nfs/dbraw/zinc/85/47/01/706854701.db2.gz KTVJYCCSSNJLFY-ODIFPOPNSA-N 1 3 345.491 1.767 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343643 706855260 /nfs/dbraw/zinc/85/52/60/706855260.db2.gz QNUOMWRWLUDEPO-UHFFFAOYSA-N 1 3 337.493 1.267 20 0 EDADHO CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000999347836 706859853 /nfs/dbraw/zinc/85/98/53/706859853.db2.gz LMBUCHNSVPOOBS-CGZBRXJRSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999366793 706880419 /nfs/dbraw/zinc/88/04/19/706880419.db2.gz CKIOTBFPKNLFFX-ZBFHGGJFSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999680887 707165590 /nfs/dbraw/zinc/16/55/90/707165590.db2.gz BTPNLHATYNBNNM-QQFBHYJXSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999680887 707165595 /nfs/dbraw/zinc/16/55/95/707165595.db2.gz BTPNLHATYNBNNM-QQFBHYJXSA-N 1 3 334.464 1.712 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795214 707366991 /nfs/dbraw/zinc/36/69/91/707366991.db2.gz YLXWBYGRQCYMIB-AEFFLSMTSA-N 1 3 345.491 1.375 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033320783 707516692 /nfs/dbraw/zinc/51/66/92/707516692.db2.gz WXVLLDZMSXDHHN-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033320783 707516697 /nfs/dbraw/zinc/51/66/97/707516697.db2.gz WXVLLDZMSXDHHN-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004879947 707553607 /nfs/dbraw/zinc/55/36/07/707553607.db2.gz TWWYXHKXIKRNRT-MAUKXSAKSA-N 1 3 347.507 1.764 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032731715 707734057 /nfs/dbraw/zinc/73/40/57/707734057.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 1 3 335.492 1.430 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032731715 707734061 /nfs/dbraw/zinc/73/40/61/707734061.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 1 3 335.492 1.430 20 0 EDADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389636 707761102 /nfs/dbraw/zinc/76/11/02/707761102.db2.gz DZAUGCLGUPAYBC-SFHVURJKSA-N 1 3 347.507 1.320 20 0 EDADHO CC1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)CC1 ZINC001000530704 708045205 /nfs/dbraw/zinc/04/52/05/708045205.db2.gz HHBQADYNVBPOMH-SFHVURJKSA-N 1 3 330.476 1.894 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183638 708134106 /nfs/dbraw/zinc/13/41/06/708134106.db2.gz JKYMYSHFDNKZKI-SJLPKXTDSA-N 1 3 337.508 1.820 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CCN(CCOC)C2)C1 ZINC001033932628 709090496 /nfs/dbraw/zinc/09/04/96/709090496.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CCN(CCOC)C2)C1 ZINC001033932628 709090498 /nfs/dbraw/zinc/09/04/98/709090498.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001034004687 709244100 /nfs/dbraw/zinc/24/41/00/709244100.db2.gz PJVFJQZDVKKNFX-WBVHZDCISA-N 1 3 325.497 1.410 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039401 709272159 /nfs/dbraw/zinc/27/21/59/709272159.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 1 3 347.507 1.374 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039401 709272163 /nfs/dbraw/zinc/27/21/63/709272163.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 1 3 347.507 1.374 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239064 709620526 /nfs/dbraw/zinc/62/05/26/709620526.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 1 3 325.497 1.581 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034239064 709620528 /nfs/dbraw/zinc/62/05/28/709620528.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 1 3 325.497 1.581 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034491364 710111556 /nfs/dbraw/zinc/11/15/56/710111556.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 1 3 333.480 1.196 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034491364 710111558 /nfs/dbraw/zinc/11/15/58/710111558.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 1 3 333.480 1.196 20 0 EDADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630023 710459733 /nfs/dbraw/zinc/45/97/33/710459733.db2.gz HXYREEQDTJEPIN-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)c2c1OC(F)(F)O2 ZINC000922310055 710862445 /nfs/dbraw/zinc/86/24/45/710862445.db2.gz ZBZRIOVLDAYWAW-CHWSQXEVSA-N 1 3 344.358 1.309 20 0 EDADHO CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001034733813 710914558 /nfs/dbraw/zinc/91/45/58/710914558.db2.gz DKMGOVDFFRCAGU-JYJNAYRXSA-N 1 3 348.495 1.157 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735709 710922032 /nfs/dbraw/zinc/92/20/32/710922032.db2.gz MKZOMXUMPBROPK-JYJNAYRXSA-N 1 3 333.480 1.421 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034779132 711083430 /nfs/dbraw/zinc/08/34/30/711083430.db2.gz RBZYBDCAUPXXDO-JYJNAYRXSA-N 1 3 333.480 1.279 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034779132 711083433 /nfs/dbraw/zinc/08/34/33/711083433.db2.gz RBZYBDCAUPXXDO-JYJNAYRXSA-N 1 3 333.480 1.279 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](NCc3cc4n(n3)CCC4)CC2)C1 ZINC001034793372 711123634 /nfs/dbraw/zinc/12/36/34/711123634.db2.gz YMSSHORXTOBDTJ-JYJNAYRXSA-N 1 3 345.491 1.298 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](NCc3cc4n(n3)CCC4)CC2)C1 ZINC001034793372 711123637 /nfs/dbraw/zinc/12/36/37/711123637.db2.gz YMSSHORXTOBDTJ-JYJNAYRXSA-N 1 3 345.491 1.298 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCCC3)C2 ZINC000922387688 711428181 /nfs/dbraw/zinc/42/81/81/711428181.db2.gz AELDRMTWYHDSHI-AFYVEPGGSA-N 1 3 346.519 1.868 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCCC3)C2 ZINC000922387688 711428182 /nfs/dbraw/zinc/42/81/82/711428182.db2.gz AELDRMTWYHDSHI-AFYVEPGGSA-N 1 3 346.519 1.868 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@@H](CO)C1)c1ccccc1 ZINC000363827195 282171223 /nfs/dbraw/zinc/17/12/23/282171223.db2.gz RUMSVCFQOOQBPX-AEFFLSMTSA-N 1 3 333.476 1.500 20 0 EDADHO CN1CCN(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1(C)C ZINC000441345174 539333942 /nfs/dbraw/zinc/33/39/42/539333942.db2.gz KCIUSJATDFYOAW-UHFFFAOYSA-N 1 3 333.402 1.561 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000168097452 529979937 /nfs/dbraw/zinc/97/99/37/529979937.db2.gz WDUZDQXTORUDPY-QAPCUYQASA-N 1 3 333.476 1.404 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000342975695 539768294 /nfs/dbraw/zinc/76/82/94/539768294.db2.gz JEAAMMMRWATVNX-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000104139819 219351619 /nfs/dbraw/zinc/35/16/19/219351619.db2.gz OICOEOLFYQIKSR-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113305 306318755 /nfs/dbraw/zinc/31/87/55/306318755.db2.gz OVXXJBYLVIIZDT-QGZVFWFLSA-N 1 3 328.460 1.648 20 0 EDADHO CN(C)CCN(C(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000563199169 306322870 /nfs/dbraw/zinc/32/28/70/306322870.db2.gz UKSOCWRKCINNJU-UHFFFAOYSA-N 1 3 330.436 1.225 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443673572 305240871 /nfs/dbraw/zinc/24/08/71/305240871.db2.gz ICZGFIOVQBVYLT-BRWVUGGUSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443673572 305240872 /nfs/dbraw/zinc/24/08/72/305240872.db2.gz ICZGFIOVQBVYLT-BRWVUGGUSA-N 1 3 325.497 1.866 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2cncc(Br)c2)CC1 ZINC000183726397 235208466 /nfs/dbraw/zinc/20/84/66/235208466.db2.gz MGTRAEHHVIHYGT-UHFFFAOYSA-N 1 3 341.297 1.960 20 0 EDADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000563410757 306332292 /nfs/dbraw/zinc/33/22/92/306332292.db2.gz LQMSTSGXDURKFE-IRXDYDNUSA-N 1 3 345.491 1.050 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000563424128 306332510 /nfs/dbraw/zinc/33/25/10/306332510.db2.gz JRUNSIGGVJWSHS-BFHYXJOUSA-N 1 3 343.518 1.761 20 0 EDADHO CCOCCO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797148 138133186 /nfs/dbraw/zinc/13/31/86/138133186.db2.gz QSONQYYFWWONPH-HNNXBMFYSA-N 1 3 341.496 1.103 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580473 306339547 /nfs/dbraw/zinc/33/95/47/306339547.db2.gz IXNNISIBRMANSK-DJIMGWMZSA-N 1 3 332.448 1.191 20 0 EDADHO CC[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000105211167 138300961 /nfs/dbraw/zinc/30/09/61/138300961.db2.gz OKMFQJSITZIOHB-QGZVFWFLSA-N 1 3 326.485 1.005 20 0 EDADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(C)C ZINC000125085898 138331949 /nfs/dbraw/zinc/33/19/49/138331949.db2.gz TZPVVZNSUKHYQX-QZTJIDSGSA-N 1 3 333.476 1.600 20 0 EDADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(C)C ZINC000125085898 138331950 /nfs/dbraw/zinc/33/19/50/138331950.db2.gz TZPVVZNSUKHYQX-QZTJIDSGSA-N 1 3 333.476 1.600 20 0 EDADHO Cc1n[nH]c(C)c1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000131899142 138367564 /nfs/dbraw/zinc/36/75/64/138367564.db2.gz FXOOAYUVUFIYEY-UHFFFAOYSA-N 1 3 349.523 1.943 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421352794 283350180 /nfs/dbraw/zinc/35/01/80/283350180.db2.gz RNQNUMGJBUMKOY-UHFFFAOYSA-N 1 3 344.503 1.964 20 0 EDADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1F ZINC000414181751 304104833 /nfs/dbraw/zinc/10/48/33/304104833.db2.gz CKVXFJHMSCPPCT-OAHLLOKOSA-N 1 3 336.455 1.668 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945040 306395004 /nfs/dbraw/zinc/39/50/04/306395004.db2.gz CCXLRLBXMUGNMK-MGPQQGTHSA-N 1 3 343.518 1.346 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566066475 306397544 /nfs/dbraw/zinc/39/75/44/306397544.db2.gz UQIASTOKEDTJGF-PKOBYXMFSA-N 1 3 344.503 1.261 20 0 EDADHO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698483 304129490 /nfs/dbraw/zinc/12/94/90/304129490.db2.gz RAKOEOSBAUXICF-UKRRQHHQSA-N 1 3 336.505 1.958 20 0 EDADHO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698483 304129491 /nfs/dbraw/zinc/12/94/91/304129491.db2.gz RAKOEOSBAUXICF-UKRRQHHQSA-N 1 3 336.505 1.958 20 0 EDADHO COc1cccc(C(=O)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734369 304134649 /nfs/dbraw/zinc/13/46/49/304134649.db2.gz KVQKVZDEWGOQPS-HZPDHXFCSA-N 1 3 331.460 1.841 20 0 EDADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCCC1 ZINC000414740473 304135724 /nfs/dbraw/zinc/13/57/24/304135724.db2.gz RDKPFSIUWDCODU-YOEHRIQHSA-N 1 3 346.475 1.881 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251420 296109505 /nfs/dbraw/zinc/10/95/05/296109505.db2.gz IQRCHNIQUOICSZ-GOSISDBHSA-N 1 3 335.492 1.717 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC(NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000414788169 304140706 /nfs/dbraw/zinc/14/07/06/304140706.db2.gz CYCXFHIHTKVLAJ-QGZVFWFLSA-N 1 3 339.505 1.721 20 0 EDADHO Cc1nc2ccccn2c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989098 304148307 /nfs/dbraw/zinc/14/83/07/304148307.db2.gz PZVWUDPRJASRDE-AWEZNQCLSA-N 1 3 341.381 1.568 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000415115087 304160744 /nfs/dbraw/zinc/16/07/44/304160744.db2.gz TZSNVFFWDUXFPQ-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000179855699 296180947 /nfs/dbraw/zinc/18/09/47/296180947.db2.gz DEZHEXGTOZUFBA-OAHLLOKOSA-N 1 3 345.487 1.034 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000236923399 139035245 /nfs/dbraw/zinc/03/52/45/139035245.db2.gz XPXFEOSYLBWCRM-MJGOQNOKSA-N 1 3 346.519 1.684 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202581 139044072 /nfs/dbraw/zinc/04/40/72/139044072.db2.gz GGTQEYBWUONFNA-RBUKOAKNSA-N 1 3 344.503 1.624 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000237313371 139047462 /nfs/dbraw/zinc/04/74/62/139047462.db2.gz HPAGXSDGYSYTBL-HNNXBMFYSA-N 1 3 333.476 1.879 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000237859478 139062139 /nfs/dbraw/zinc/06/21/39/139062139.db2.gz WVFGSEBHCAMTPW-INIZCTEOSA-N 1 3 330.432 1.074 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415231586 304176912 /nfs/dbraw/zinc/17/69/12/304176912.db2.gz PHPRLJSBMHJTSA-UHFFFAOYSA-N 1 3 346.475 1.679 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](N)c1ccccc1 ZINC000246212352 139099330 /nfs/dbraw/zinc/09/93/30/139099330.db2.gz FXHOCSAQNIXGPG-FRQCXROJSA-N 1 3 345.487 1.940 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000246574793 139113519 /nfs/dbraw/zinc/11/35/19/139113519.db2.gz VFQNJMDEKMOWKD-CWRNSKLLSA-N 1 3 336.505 1.489 20 0 EDADHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915590 139126835 /nfs/dbraw/zinc/12/68/35/139126835.db2.gz GLTXDILLFCBSCW-ZIAGYGMSSA-N 1 3 325.478 1.587 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000266663291 284631264 /nfs/dbraw/zinc/63/12/64/284631264.db2.gz IXXXODNSSOTQEN-UHFFFAOYSA-N 1 3 332.492 1.727 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415385943 304210906 /nfs/dbraw/zinc/21/09/06/304210906.db2.gz OWVYOGXAKXYRPN-AWEZNQCLSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415418413 304218917 /nfs/dbraw/zinc/21/89/17/304218917.db2.gz ONBQDGSQFDAMPB-OAHLLOKOSA-N 1 3 346.475 1.459 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415433128 304219212 /nfs/dbraw/zinc/21/92/12/304219212.db2.gz VFCSRKAPDROWDN-OAHLLOKOSA-N 1 3 334.464 1.219 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764126 139224141 /nfs/dbraw/zinc/22/41/41/139224141.db2.gz LXUHTKNLFJPLQV-LZQZEXGQSA-N 1 3 345.487 1.910 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764126 139224142 /nfs/dbraw/zinc/22/41/42/139224142.db2.gz LXUHTKNLFJPLQV-LZQZEXGQSA-N 1 3 345.487 1.910 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261953830 139239739 /nfs/dbraw/zinc/23/97/39/139239739.db2.gz ZJXWBYAWWKLMLO-YJBOKZPZSA-N 1 3 349.450 1.785 20 0 EDADHO C[NH2+]CCC1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000261967498 139240450 /nfs/dbraw/zinc/24/04/50/139240450.db2.gz YNPSKNLUUBESSE-UHFFFAOYSA-N 1 3 339.505 1.758 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)O1 ZINC000261986066 139242044 /nfs/dbraw/zinc/24/20/44/139242044.db2.gz MMIMODXGEKWAIZ-SJORKVTESA-N 1 3 349.500 1.723 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000414750176 250862796 /nfs/dbraw/zinc/86/27/96/250862796.db2.gz KXWNAODAZFHDTP-LSDHHAIUSA-N 1 3 333.480 1.994 20 0 EDADHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069732 139248348 /nfs/dbraw/zinc/24/83/48/139248348.db2.gz BZALGKXUONGOIW-GOSISDBHSA-N 1 3 325.460 1.567 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1CN(C)C ZINC000415570035 304227963 /nfs/dbraw/zinc/22/79/63/304227963.db2.gz LEOYCCMOVCCILP-IBGZPJMESA-N 1 3 346.475 1.501 20 0 EDADHO Cc1cccc(OCCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262210583 139260205 /nfs/dbraw/zinc/26/02/05/139260205.db2.gz LOQRMDCREOLGRG-IEBWSBKVSA-N 1 3 345.487 1.954 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829697 251112885 /nfs/dbraw/zinc/11/28/85/251112885.db2.gz FXGRQESWTAKKCK-MSOLQXFVSA-N 1 3 332.492 1.930 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417012945 251131428 /nfs/dbraw/zinc/13/14/28/251131428.db2.gz BESQZMXATGEAPF-CRAIPNDOSA-N 1 3 330.476 1.732 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417088378 251140884 /nfs/dbraw/zinc/14/08/84/251140884.db2.gz KHPHVHFVWLBQMC-QGZVFWFLSA-N 1 3 330.476 1.827 20 0 EDADHO CCN(CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000417430035 251169460 /nfs/dbraw/zinc/16/94/60/251169460.db2.gz OHCODOQEEQFLJA-UHFFFAOYSA-N 1 3 334.508 1.924 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417387809 251161788 /nfs/dbraw/zinc/16/17/88/251161788.db2.gz VAEYPHUTNUOJAC-IYBDPMFKSA-N 1 3 348.516 1.821 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000417595210 251201650 /nfs/dbraw/zinc/20/16/50/251201650.db2.gz XRAORLDUTDTDKU-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000417619192 251207661 /nfs/dbraw/zinc/20/76/61/251207661.db2.gz DSZNIISZTITYQI-GOEBONIOSA-N 1 3 334.464 1.403 20 0 EDADHO C[C@@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@H](N)c1ccccc1 ZINC000262450618 139279953 /nfs/dbraw/zinc/27/99/53/139279953.db2.gz WGSHPCUMEOGMFB-DYVFJYSZSA-N 1 3 340.427 1.650 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813891 251280318 /nfs/dbraw/zinc/28/03/18/251280318.db2.gz AMTBHWDDTPBSHW-KANFNMMFSA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108179 251325689 /nfs/dbraw/zinc/32/56/89/251325689.db2.gz AOJGHPVTSQPPIS-CVEARBPZSA-N 1 3 340.512 1.565 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCCNCc2cccnc2)C1 ZINC000417858105 251300605 /nfs/dbraw/zinc/30/06/05/251300605.db2.gz UTDOHHPKNQLUHC-DLBZAZTESA-N 1 3 333.480 1.733 20 0 EDADHO CCO[C@H](C)c1noc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000569490165 306508896 /nfs/dbraw/zinc/50/88/96/306508896.db2.gz RXFTXSDGSPKEOQ-CABCVRRESA-N 1 3 337.468 1.284 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418148202 251343917 /nfs/dbraw/zinc/34/39/17/251343917.db2.gz REGIFVNRGOZTPI-SJLPKXTDSA-N 1 3 330.476 1.806 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CCN(C)CC1 ZINC000418194324 251353076 /nfs/dbraw/zinc/35/30/76/251353076.db2.gz DJMISCYMMSKFBJ-KGLIPLIRSA-N 1 3 328.526 1.583 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CCN(C)CC1 ZINC000418196733 251354750 /nfs/dbraw/zinc/35/47/50/251354750.db2.gz IEXHXGSCRMVOJA-KBPBESRZSA-N 1 3 328.526 1.440 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418383345 251364169 /nfs/dbraw/zinc/36/41/69/251364169.db2.gz NMJPYMRBIUUBNW-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717838 251395331 /nfs/dbraw/zinc/39/53/31/251395331.db2.gz TUOPDLXPMSJRIJ-CHWSQXEVSA-N 1 3 332.370 1.710 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262664818 139294506 /nfs/dbraw/zinc/29/45/06/139294506.db2.gz IYPYSLXVFLQAKF-MRXNPFEDSA-N 1 3 346.475 1.824 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262665422 139294717 /nfs/dbraw/zinc/29/47/17/139294717.db2.gz JKLUDXKCVUFTJD-ZYSHUDEJSA-N 1 3 347.503 1.922 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000262832164 139306691 /nfs/dbraw/zinc/30/66/91/139306691.db2.gz HYGDFIMJPWWJTI-GOSISDBHSA-N 1 3 348.491 1.069 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000262864939 139309019 /nfs/dbraw/zinc/30/90/19/139309019.db2.gz ULLDXQHXLZQIGY-MJGOQNOKSA-N 1 3 344.503 1.621 20 0 EDADHO C[C@@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423067850 252034088 /nfs/dbraw/zinc/03/40/88/252034088.db2.gz AHUUSTLZZSYRJE-HIFRSBDPSA-N 1 3 331.526 1.699 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000423799903 252081751 /nfs/dbraw/zinc/08/17/51/252081751.db2.gz QVEZFKLQVVYAEO-IEBWSBKVSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ccc1CN(C)C ZINC000415625837 304241731 /nfs/dbraw/zinc/24/17/31/304241731.db2.gz QRGHSNVJBHQOTD-OAHLLOKOSA-N 1 3 332.448 1.253 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415653644 304248636 /nfs/dbraw/zinc/24/86/36/304248636.db2.gz GOBYDWVSHXKKOC-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263213531 139328662 /nfs/dbraw/zinc/32/86/62/139328662.db2.gz KMZNTDPBKIGAIF-CRAIPNDOSA-N 1 3 325.497 1.900 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415679038 304254890 /nfs/dbraw/zinc/25/48/90/304254890.db2.gz OVHGFMLSEQLZNZ-UKRRQHHQSA-N 1 3 332.448 1.252 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415736788 304263164 /nfs/dbraw/zinc/26/31/64/304263164.db2.gz FYGURLYOQJYVEV-YOEHRIQHSA-N 1 3 344.459 1.559 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCC(F)(F)F ZINC000337578878 285243649 /nfs/dbraw/zinc/24/36/49/285243649.db2.gz LSTLVGZWFXZGEO-CYBMUJFWSA-N 1 3 339.402 1.440 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COCC(F)(F)F ZINC000337578878 285243650 /nfs/dbraw/zinc/24/36/50/285243650.db2.gz LSTLVGZWFXZGEO-CYBMUJFWSA-N 1 3 339.402 1.440 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)COC1 ZINC000459059212 285244292 /nfs/dbraw/zinc/24/42/92/285244292.db2.gz FBHVHIGGUCCWSH-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(CC)COC1 ZINC000459059212 285244293 /nfs/dbraw/zinc/24/42/93/285244293.db2.gz FBHVHIGGUCCWSH-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC000496341923 255383650 /nfs/dbraw/zinc/38/36/50/255383650.db2.gz IOFDVDWUKYMVRO-ZIAGYGMSSA-N 1 3 341.500 1.745 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319951 143077337 /nfs/dbraw/zinc/07/73/37/143077337.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 1 3 344.503 1.647 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319951 143077338 /nfs/dbraw/zinc/07/73/38/143077338.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 1 3 344.503 1.647 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]([NH3+])C2)CC1 ZINC000346086992 143166129 /nfs/dbraw/zinc/16/61/29/143166129.db2.gz UZQUFBRFMGFKNR-IBGZPJMESA-N 1 3 344.503 1.452 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117931 143284476 /nfs/dbraw/zinc/28/44/76/143284476.db2.gz XMPOOZJRMFTLGD-OAHLLOKOSA-N 1 3 345.422 1.298 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000416968018 304357013 /nfs/dbraw/zinc/35/70/13/304357013.db2.gz IBVJQVCJRPJJJL-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO Cn1cncc1CN1CCC2(CC[N@H+](Cc3cncn3C)C2)CC1 ZINC000369948187 155248977 /nfs/dbraw/zinc/24/89/77/155248977.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 1 3 328.464 1.642 20 0 EDADHO Cn1cncc1CN1CCC2(CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC000369948187 155248979 /nfs/dbraw/zinc/24/89/79/155248979.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 1 3 328.464 1.642 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416978400 304359839 /nfs/dbraw/zinc/35/98/39/304359839.db2.gz QWRNXVWQFLJZRR-SFHVURJKSA-N 1 3 332.492 1.976 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC1 ZINC000354861658 150000492 /nfs/dbraw/zinc/00/04/92/150000492.db2.gz QOLMVABVRQHJFF-WMZOPIPTSA-N 1 3 337.487 1.795 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000357375215 151011667 /nfs/dbraw/zinc/01/16/67/151011667.db2.gz NDCITVLCRDQAKI-CJNGLKHVSA-N 1 3 341.402 1.361 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN(C)CC1 ZINC000357986078 151223072 /nfs/dbraw/zinc/22/30/72/151223072.db2.gz BUUWBUNKQVTHJF-AWEZNQCLSA-N 1 3 340.537 1.597 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN(C)CC1 ZINC000357986078 151223074 /nfs/dbraw/zinc/22/30/74/151223074.db2.gz BUUWBUNKQVTHJF-AWEZNQCLSA-N 1 3 340.537 1.597 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358120018 151278595 /nfs/dbraw/zinc/27/85/95/151278595.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000358120018 151278597 /nfs/dbraw/zinc/27/85/97/151278597.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CN(CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000417232847 304386148 /nfs/dbraw/zinc/38/61/48/304386148.db2.gz QRAFHDYJJPOGEH-BZSNNMDCSA-N 1 3 330.476 1.887 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367273128 154061876 /nfs/dbraw/zinc/06/18/76/154061876.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367273128 154061878 /nfs/dbraw/zinc/06/18/78/154061878.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367273128 154061883 /nfs/dbraw/zinc/06/18/83/154061883.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(C(=O)CC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367273128 154061884 /nfs/dbraw/zinc/06/18/84/154061884.db2.gz AJQUMYRFCXONIR-AEFFLSMTSA-N 1 3 334.508 1.099 20 0 EDADHO CC1CC[NH+](CC2CC[NH+](CCCOC([O-])=NC(N)=O)CC2)CC1 ZINC000367370820 154092755 /nfs/dbraw/zinc/09/27/55/154092755.db2.gz GZGDSPNQUJYESW-UHFFFAOYSA-N 1 3 340.468 1.625 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417300532 304390835 /nfs/dbraw/zinc/39/08/35/304390835.db2.gz UJZWHLISDJTJKS-HNNXBMFYSA-N 1 3 326.485 1.175 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000368217780 154462383 /nfs/dbraw/zinc/46/23/83/154462383.db2.gz AFJQIVOILXLZNO-HXUWFJFHSA-N 1 3 345.531 1.940 20 0 EDADHO C[NH+]1CCC(NC(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000371604460 156025406 /nfs/dbraw/zinc/02/54/06/156025406.db2.gz JACVSMPHTZQKIS-KRWDZBQOSA-N 1 3 345.491 1.687 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@H]4CCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000372426458 156384971 /nfs/dbraw/zinc/38/49/71/156384971.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 1 3 333.480 1.480 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@H]4CCC[N@H+]4C)C[C@H]3C2)no1 ZINC000372426458 156384976 /nfs/dbraw/zinc/38/49/76/156384976.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 1 3 333.480 1.480 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417548889 304404956 /nfs/dbraw/zinc/40/49/56/304404956.db2.gz IRBQGQISZDOBPT-OAHLLOKOSA-N 1 3 348.491 1.441 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000378158678 158095725 /nfs/dbraw/zinc/09/57/25/158095725.db2.gz AWMRTINTZXUSGY-BHIYHBOVSA-N 1 3 345.487 1.895 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccccc1 ZINC000378158678 158095728 /nfs/dbraw/zinc/09/57/28/158095728.db2.gz AWMRTINTZXUSGY-BHIYHBOVSA-N 1 3 345.487 1.895 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378187660 158103013 /nfs/dbraw/zinc/10/30/13/158103013.db2.gz OHVRZKQZSYPELR-JKSUJKDBSA-N 1 3 333.480 1.568 20 0 EDADHO CN(C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000378225234 158115250 /nfs/dbraw/zinc/11/52/50/158115250.db2.gz CZRIHVGWVWABDL-ZIFCJYIRSA-N 1 3 348.491 1.216 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000378408900 158165854 /nfs/dbraw/zinc/16/58/54/158165854.db2.gz YDZCJEDCNRYJFP-UHFFFAOYSA-N 1 3 335.492 1.624 20 0 EDADHO CCN1CCN(CCC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000357054415 162281411 /nfs/dbraw/zinc/28/14/11/162281411.db2.gz RXFFXHJQQBAPRH-UHFFFAOYSA-N 1 3 326.529 1.591 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3ccccn3)CC2)CC1 ZINC000051674801 287221819 /nfs/dbraw/zinc/22/18/19/287221819.db2.gz IEZLUGGHHBOYQB-UHFFFAOYSA-N 1 3 331.464 1.439 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458340626 287390552 /nfs/dbraw/zinc/39/05/52/287390552.db2.gz JXBMHEZRNFZUIG-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000418350891 304484130 /nfs/dbraw/zinc/48/41/30/304484130.db2.gz TUIKDLSLHZXCPG-HFTRVMKXSA-N 1 3 348.491 1.985 20 0 EDADHO CN1CCN(CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130646415 287496838 /nfs/dbraw/zinc/49/68/38/287496838.db2.gz PBKVICCNNZCMCA-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000193589892 272996557 /nfs/dbraw/zinc/99/65/57/272996557.db2.gz NESKADNBYPQBAH-CRAIPNDOSA-N 1 3 330.476 1.699 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237072875 273007421 /nfs/dbraw/zinc/00/74/21/273007421.db2.gz VMOBRJRVTJKURB-IBGZPJMESA-N 1 3 344.503 1.799 20 0 EDADHO [NH3+]CC1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000237773418 273012746 /nfs/dbraw/zinc/01/27/46/273012746.db2.gz OWBMRSRBONYNKS-UHFFFAOYSA-N 1 3 344.503 1.977 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261749310 273017287 /nfs/dbraw/zinc/01/72/87/273017287.db2.gz LAUGCEXQPVODNL-HKUYNNGSSA-N 1 3 345.487 1.721 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C1CCOCC1 ZINC000261749310 273017288 /nfs/dbraw/zinc/01/72/88/273017288.db2.gz LAUGCEXQPVODNL-HKUYNNGSSA-N 1 3 345.487 1.721 20 0 EDADHO CC[C@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000274590352 268165295 /nfs/dbraw/zinc/16/52/95/268165295.db2.gz JWWOOCPPMOWMOO-LJQANCHMSA-N 1 3 333.476 1.818 20 0 EDADHO CCCCN(CCCO)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274671067 268180325 /nfs/dbraw/zinc/18/03/25/268180325.db2.gz SLFUKRBRKXBEFW-SFHVURJKSA-N 1 3 335.492 1.890 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275634493 268366465 /nfs/dbraw/zinc/36/64/65/268366465.db2.gz QXDDBQRDSSHOPN-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000275816063 273130527 /nfs/dbraw/zinc/13/05/27/273130527.db2.gz FVAOGZSPKAQRSV-RBUKOAKNSA-N 1 3 343.475 1.764 20 0 EDADHO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000276497822 273166821 /nfs/dbraw/zinc/16/68/21/273166821.db2.gz BREOFWKQIXBMOI-VYDXJSESSA-N 1 3 349.475 1.583 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284177849 274106724 /nfs/dbraw/zinc/10/67/24/274106724.db2.gz QVHLRGKHHYRCSE-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000284646122 274277541 /nfs/dbraw/zinc/27/75/41/274277541.db2.gz JUFIFSAGUWLSBZ-UHFFFAOYSA-N 1 3 348.491 1.165 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304749 276206027 /nfs/dbraw/zinc/20/60/27/276206027.db2.gz KIFXZUNLKXLWSF-NVXWUHKLSA-N 1 3 338.540 1.780 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367886005 277204947 /nfs/dbraw/zinc/20/49/47/277204947.db2.gz NARRZOYHVPWZAO-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417848953 277229921 /nfs/dbraw/zinc/22/99/21/277229921.db2.gz WAIYCJIXQLAIIE-WMZOPIPTSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424158532 288123069 /nfs/dbraw/zinc/12/30/69/288123069.db2.gz TUFDZAHUGWNMOE-WWGRRREGSA-N 1 3 331.464 1.100 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585316 279362359 /nfs/dbraw/zinc/36/23/59/279362359.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585316 279362360 /nfs/dbraw/zinc/36/23/60/279362360.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 1 3 336.524 1.251 20 0 EDADHO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292189184 289284586 /nfs/dbraw/zinc/28/45/86/289284586.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 1 3 334.460 1.853 20 0 EDADHO CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000292189184 289284587 /nfs/dbraw/zinc/28/45/87/289284587.db2.gz REJBMJGISCEHDL-LPHOPBHVSA-N 1 3 334.460 1.853 20 0 EDADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000305695027 289351889 /nfs/dbraw/zinc/35/18/89/289351889.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 1 3 325.497 1.601 20 0 EDADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000305695027 289351890 /nfs/dbraw/zinc/35/18/90/289351890.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 1 3 325.497 1.601 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc(-n2cccn2)c1 ZINC000262079667 295226422 /nfs/dbraw/zinc/22/64/22/295226422.db2.gz SYMRWTVEHCWGCX-GOSISDBHSA-N 1 3 341.459 1.692 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418841052 304539648 /nfs/dbraw/zinc/53/96/48/304539648.db2.gz GFRIPDKKJTUGOU-DLBZAZTESA-N 1 3 346.475 1.054 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419808098 304687774 /nfs/dbraw/zinc/68/77/74/304687774.db2.gz GOUKNURDBOXAQD-CQSZACIVSA-N 1 3 326.485 1.001 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419644707 447315602 /nfs/dbraw/zinc/31/56/02/447315602.db2.gz HTZXHRCHSAAGBC-HUUCEWRRSA-N 1 3 348.491 1.346 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766064 447324610 /nfs/dbraw/zinc/32/46/10/447324610.db2.gz QSQKALSDJKKFDC-CABCVRRESA-N 1 3 336.501 1.879 20 0 EDADHO C[C@@H]1C[C@H](CN2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766066 447324700 /nfs/dbraw/zinc/32/47/00/447324700.db2.gz QSQKALSDJKKFDC-HUUCEWRRSA-N 1 3 336.501 1.879 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000294915844 303154837 /nfs/dbraw/zinc/15/48/37/303154837.db2.gz AMMIAJCIVTXDLX-LBPRGKRZSA-N 1 3 325.403 1.996 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598919 303240254 /nfs/dbraw/zinc/24/02/54/303240254.db2.gz WYSUASVDGMRTFM-LJQANCHMSA-N 1 3 345.487 1.859 20 0 EDADHO C[C@@H]1COCCN1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720532 304879075 /nfs/dbraw/zinc/87/90/75/304879075.db2.gz SQGGIQTVMCMVBD-HHXXYDBFSA-N 1 3 331.460 1.553 20 0 EDADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101774 304886281 /nfs/dbraw/zinc/88/62/81/304886281.db2.gz JHOHOQYWYRIQNO-ODZKNYGOSA-N 1 3 348.487 1.990 20 0 EDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113429 304887088 /nfs/dbraw/zinc/88/70/88/304887088.db2.gz YWLHLYWJQCYKLM-YNEHKIRRSA-N 1 3 331.507 1.474 20 0 EDADHO [NH3+][C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)C1CCC1 ZINC000423417571 304895182 /nfs/dbraw/zinc/89/51/82/304895182.db2.gz FWNUVRSHDFHGAZ-GOSISDBHSA-N 1 3 349.450 1.913 20 0 EDADHO CC(C)CN(C(=O)CCCN1CCC([NH3+])CC1)C1CCN(C)CC1 ZINC000423767609 304909360 /nfs/dbraw/zinc/90/93/60/304909360.db2.gz WHQRAZLOOOISSS-UHFFFAOYSA-N 1 3 338.540 1.769 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COC1CNC1 ZINC000430754339 305064236 /nfs/dbraw/zinc/06/42/36/305064236.db2.gz DOERGOOAQCDLGK-OAHLLOKOSA-N 1 3 331.460 1.666 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)COC1CNC1 ZINC000430754339 305064237 /nfs/dbraw/zinc/06/42/37/305064237.db2.gz DOERGOOAQCDLGK-OAHLLOKOSA-N 1 3 331.460 1.666 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430916642 305068017 /nfs/dbraw/zinc/06/80/17/305068017.db2.gz WKGSHVGRROLNEE-UHFFFAOYSA-N 1 3 333.480 1.141 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000433122198 305101146 /nfs/dbraw/zinc/10/11/46/305101146.db2.gz UWADKCHJJLXMJW-SFHVURJKSA-N 1 3 333.476 1.490 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000434887900 305132482 /nfs/dbraw/zinc/13/24/82/305132482.db2.gz QQYCFAPVEMLLOS-CYBMUJFWSA-N 1 3 329.510 1.087 20 0 EDADHO CCNC(=O)COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000435373507 305139274 /nfs/dbraw/zinc/13/92/74/305139274.db2.gz DUNJBKNWPRXLBT-CQSZACIVSA-N 1 3 349.475 1.769 20 0 EDADHO NC(=O)NC(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692787 305145565 /nfs/dbraw/zinc/14/55/65/305145565.db2.gz KEDHZDUFJXRSLW-CYBMUJFWSA-N 1 3 336.461 1.277 20 0 EDADHO CN1CCN(CCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1(C)C ZINC000440980995 305215674 /nfs/dbraw/zinc/21/56/74/305215674.db2.gz NMFAUSNBWAHYNZ-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO CN(CCCOc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443074270 305234579 /nfs/dbraw/zinc/23/45/79/305234579.db2.gz QBUQANQBDKYTRE-KRWDZBQOSA-N 1 3 333.476 1.975 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000446364342 305263789 /nfs/dbraw/zinc/26/37/89/305263789.db2.gz UANXDRSKUWQVTH-AXVVYFOYSA-N 1 3 349.519 1.853 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253065 305294536 /nfs/dbraw/zinc/29/45/36/305294536.db2.gz VIJHWMYNYHZRJA-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO COCCN1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449332392 305311768 /nfs/dbraw/zinc/31/17/68/305311768.db2.gz DBVABKLDCMPUFL-LJQANCHMSA-N 1 3 331.460 1.145 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419687650 447349610 /nfs/dbraw/zinc/34/96/10/447349610.db2.gz YZWIFCMQDGZCLU-OAHLLOKOSA-N 1 3 338.496 1.002 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000458410226 447350728 /nfs/dbraw/zinc/35/07/28/447350728.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000458410226 447350736 /nfs/dbraw/zinc/35/07/36/447350736.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493089094 305613962 /nfs/dbraw/zinc/61/39/62/305613962.db2.gz IPDPRDCVQJAKOJ-LAGRNVKPSA-N 1 3 331.460 1.548 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673168 305701859 /nfs/dbraw/zinc/70/18/59/305701859.db2.gz XOLCUNHISBPTGL-KBPBESRZSA-N 1 3 339.480 1.297 20 0 EDADHO CC(C)O[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000545944953 306088129 /nfs/dbraw/zinc/08/81/29/306088129.db2.gz BZAYUELCRKKKHL-JKSUJKDBSA-N 1 3 342.528 1.713 20 0 EDADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000551739250 306160792 /nfs/dbraw/zinc/16/07/92/306160792.db2.gz YUMFITBMTVLBQG-OALUTQOASA-N 1 3 347.503 1.718 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000551891739 306165937 /nfs/dbraw/zinc/16/59/37/306165937.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 1 3 334.508 1.240 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000551891739 306165938 /nfs/dbraw/zinc/16/59/38/306165938.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 1 3 334.508 1.240 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000551891738 306166082 /nfs/dbraw/zinc/16/60/82/306166082.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 1 3 334.508 1.240 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000551891738 306166083 /nfs/dbraw/zinc/16/60/83/306166083.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CCCC[NH+](C)C)ccc2oc1=O ZINC000552118843 306175368 /nfs/dbraw/zinc/17/53/68/306175368.db2.gz ZJCAMPMAENDTOJ-UHFFFAOYSA-N 1 3 348.447 1.827 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@](C)(O)CC)CC2)CC1 ZINC000553158186 306183074 /nfs/dbraw/zinc/18/30/74/306183074.db2.gz OPGVCRCKFPJEOI-SFHVURJKSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H](Cn1ncc2ccccc21)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556829954 306219244 /nfs/dbraw/zinc/21/92/44/306219244.db2.gz VNRZLWIBEXTAHQ-MRXNPFEDSA-N 1 3 345.491 1.624 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000415211877 447399539 /nfs/dbraw/zinc/39/95/39/447399539.db2.gz JUSXYQIDCLVHOH-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458520122 447398193 /nfs/dbraw/zinc/39/81/93/447398193.db2.gz WPOXBKMPIRSJGX-OWCLPIDISA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000665553169 453744641 /nfs/dbraw/zinc/74/46/41/453744641.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000665553169 453744642 /nfs/dbraw/zinc/74/46/42/453744642.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419779060 447406853 /nfs/dbraw/zinc/40/68/53/447406853.db2.gz PDPJAYPKLJUIIZ-JKSUJKDBSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211401 447408668 /nfs/dbraw/zinc/40/86/68/447408668.db2.gz PUQDIUHDTWWXQR-CRAIPNDOSA-N 1 3 327.472 1.907 20 0 EDADHO Cc1nn(-c2ccccc2)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213342 441178340 /nfs/dbraw/zinc/17/83/40/441178340.db2.gz GQHVDQOVXGVRHG-UHFFFAOYSA-N 1 3 343.475 1.746 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000105173715 441239994 /nfs/dbraw/zinc/23/99/94/441239994.db2.gz BUVFWOIUFRGVTB-FUHWJXTLSA-N 1 3 342.528 1.717 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000073290363 441307226 /nfs/dbraw/zinc/30/72/26/441307226.db2.gz KTCGXWIEDKQGNB-QGZVFWFLSA-N 1 3 335.492 1.718 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000063824682 441356426 /nfs/dbraw/zinc/35/64/26/441356426.db2.gz WUKKXDVDFGEVIQ-IRXDYDNUSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000063824682 441356431 /nfs/dbraw/zinc/35/64/31/441356431.db2.gz WUKKXDVDFGEVIQ-IRXDYDNUSA-N 1 3 331.460 1.984 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000065441867 441435125 /nfs/dbraw/zinc/43/51/25/441435125.db2.gz XFOKVZBDRAGFCU-MRXNPFEDSA-N 1 3 331.464 1.644 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000065441867 441435128 /nfs/dbraw/zinc/43/51/28/441435128.db2.gz XFOKVZBDRAGFCU-MRXNPFEDSA-N 1 3 331.464 1.644 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCCN(C(C)C)CC2)CC1 ZINC000076083694 441595246 /nfs/dbraw/zinc/59/52/46/441595246.db2.gz IPOSSHLOECOQGY-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000124764191 441951325 /nfs/dbraw/zinc/95/13/25/441951325.db2.gz NGWYUFCPRFIFGM-LJQANCHMSA-N 1 3 346.519 1.964 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000124768223 441951470 /nfs/dbraw/zinc/95/14/70/441951470.db2.gz QMHARQTVIMCPEU-GOSISDBHSA-N 1 3 332.492 1.655 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(C)C ZINC000125217189 441998414 /nfs/dbraw/zinc/99/84/14/441998414.db2.gz APEGAJGVFUJUEO-MOPGFXCFSA-N 1 3 347.503 1.846 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(C)C ZINC000125217189 441998419 /nfs/dbraw/zinc/99/84/19/441998419.db2.gz APEGAJGVFUJUEO-MOPGFXCFSA-N 1 3 347.503 1.846 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000069645802 441999426 /nfs/dbraw/zinc/99/94/26/441999426.db2.gz DJZQZNUWILWHDO-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-n2cncn2)cc1 ZINC000151379617 442052004 /nfs/dbraw/zinc/05/20/04/442052004.db2.gz MNNAHNLBTUMTIA-OAHLLOKOSA-N 1 3 329.448 1.765 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175758158 442117415 /nfs/dbraw/zinc/11/74/15/442117415.db2.gz QURHZHXGQSQQGN-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118419 /nfs/dbraw/zinc/11/84/19/442118419.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118424 /nfs/dbraw/zinc/11/84/24/442118424.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118429 /nfs/dbraw/zinc/11/84/29/442118429.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 1 3 331.504 1.726 20 0 EDADHO CC(C)OC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797093 442124832 /nfs/dbraw/zinc/12/48/32/442124832.db2.gz ZTLOOQOFILTTEQ-SCTDSRPQSA-N 1 3 342.524 1.984 20 0 EDADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168948565 442225550 /nfs/dbraw/zinc/22/55/50/442225550.db2.gz GKWPAPIABLAPTL-KRWDZBQOSA-N 1 3 335.492 1.736 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](C)CCCOC ZINC000176550680 442233143 /nfs/dbraw/zinc/23/31/43/442233143.db2.gz VIDPSJJTJRXLEJ-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@@H+](C)CCCOC ZINC000176550680 442233146 /nfs/dbraw/zinc/23/31/46/442233146.db2.gz VIDPSJJTJRXLEJ-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000171126092 442317141 /nfs/dbraw/zinc/31/71/41/442317141.db2.gz CYKYFFCMOKWUAW-UHFFFAOYSA-N 1 3 346.475 1.405 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@]3(C)CCCO3)CC2)CC1 ZINC000155180769 442380527 /nfs/dbraw/zinc/38/05/27/442380527.db2.gz QZSAEPZRTSNUMW-GOSISDBHSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000178876587 442510990 /nfs/dbraw/zinc/51/09/90/442510990.db2.gz JNKAOQMDOQIFKL-IBGZPJMESA-N 1 3 346.519 1.828 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000179854515 442512413 /nfs/dbraw/zinc/51/24/13/442512413.db2.gz BREOGXJYGUKCHK-GJYPPUQNSA-N 1 3 347.503 1.874 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012107 442645322 /nfs/dbraw/zinc/64/53/22/442645322.db2.gz FAILNAPYPNXBGM-KSZLIROESA-N 1 3 339.524 1.972 20 0 EDADHO CSC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187929989 442698175 /nfs/dbraw/zinc/69/81/75/442698175.db2.gz JAUGLHNOGFUVSE-UXLLHSPISA-N 1 3 330.538 1.922 20 0 EDADHO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](C)CN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796949 /nfs/dbraw/zinc/79/69/49/442796949.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 1 3 340.464 1.393 20 0 EDADHO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](C)CN2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796952 /nfs/dbraw/zinc/79/69/52/442796952.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 1 3 340.464 1.393 20 0 EDADHO COC(=O)[C@]1(C)CCN(C[C@@H](C)C[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796955 /nfs/dbraw/zinc/79/69/55/442796955.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 1 3 340.464 1.393 20 0 EDADHO COC(=O)[C@]1(C)CCN(C[C@@H](C)C[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796956 /nfs/dbraw/zinc/79/69/56/442796956.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 1 3 340.464 1.393 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000182708610 442810662 /nfs/dbraw/zinc/81/06/62/442810662.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000182708610 442810665 /nfs/dbraw/zinc/81/06/65/442810665.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CCOCC2)CC1 ZINC000236799842 443148065 /nfs/dbraw/zinc/14/80/65/443148065.db2.gz GILOOXWPOXHTMY-UHFFFAOYSA-N 1 3 346.519 1.640 20 0 EDADHO O=C(C[C@H]1CSCCN1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000238081890 443194318 /nfs/dbraw/zinc/19/43/18/443194318.db2.gz ZENKTPZLXAYPDP-HOTGVXAUSA-N 1 3 325.522 1.949 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000299539120 318912404 /nfs/dbraw/zinc/91/24/04/318912404.db2.gz WARZLNCKTVQYPA-INIZCTEOSA-N 1 3 332.492 1.897 20 0 EDADHO COC(=O)[C@]1(C)CC[N@@H+](CC[C@@H](C)N2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704174 443246370 /nfs/dbraw/zinc/24/63/70/443246370.db2.gz WQLCBOSFAFBAPO-OLMNPRSZSA-N 1 3 340.464 1.535 20 0 EDADHO COC(=O)[C@]1(C)CC[N@H+](CC[C@@H](C)N2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704174 443246373 /nfs/dbraw/zinc/24/63/73/443246373.db2.gz WQLCBOSFAFBAPO-OLMNPRSZSA-N 1 3 340.464 1.535 20 0 EDADHO Cc1cncc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414194107 319318969 /nfs/dbraw/zinc/31/89/69/319318969.db2.gz NGDLOGXFSMSCKT-KRWDZBQOSA-N 1 3 332.492 1.837 20 0 EDADHO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414690678 319342943 /nfs/dbraw/zinc/34/29/43/319342943.db2.gz IACHQISHQHHNDP-JKSUJKDBSA-N 1 3 333.476 1.755 20 0 EDADHO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414690678 319342945 /nfs/dbraw/zinc/34/29/45/319342945.db2.gz IACHQISHQHHNDP-JKSUJKDBSA-N 1 3 333.476 1.755 20 0 EDADHO CC[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)Oc1ccccc1C ZINC000415082325 319345939 /nfs/dbraw/zinc/34/59/39/319345939.db2.gz OEYWYCKJRIRUFM-IAGOWNOFSA-N 1 3 333.476 1.939 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1CN(C)C ZINC000415852777 319377866 /nfs/dbraw/zinc/37/78/66/319377866.db2.gz RPSYUFWZDLXFQD-BBRMVZONSA-N 1 3 346.475 1.438 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501094 319502581 /nfs/dbraw/zinc/50/25/81/319502581.db2.gz QQQDLQKOWMTXGA-INIZCTEOSA-N 1 3 340.418 1.775 20 0 EDADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496868 443340660 /nfs/dbraw/zinc/34/06/60/443340660.db2.gz DFAWJIZXNNVTGT-WBVHZDCISA-N 1 3 341.459 1.782 20 0 EDADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496868 443340662 /nfs/dbraw/zinc/34/06/62/443340662.db2.gz DFAWJIZXNNVTGT-WBVHZDCISA-N 1 3 341.459 1.782 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418860237 319526863 /nfs/dbraw/zinc/52/68/63/319526863.db2.gz LULGFAZETCFCEB-IRXDYDNUSA-N 1 3 346.475 1.054 20 0 EDADHO CN(CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278986303 443482693 /nfs/dbraw/zinc/48/26/93/443482693.db2.gz KMLMCDDTLWXOSA-OAHLLOKOSA-N 1 3 327.432 1.348 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396425 319771111 /nfs/dbraw/zinc/77/11/11/319771111.db2.gz RPBDHSKCJSWBHC-ABAIWWIYSA-N 1 3 345.413 1.335 20 0 EDADHO NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000273401602 443570932 /nfs/dbraw/zinc/57/09/32/443570932.db2.gz KOYUHDYALHMART-IBGZPJMESA-N 1 3 338.455 1.984 20 0 EDADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453647844 320267132 /nfs/dbraw/zinc/26/71/32/320267132.db2.gz SASICYPBNULNDE-KRWDZBQOSA-N 1 3 346.475 1.630 20 0 EDADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290972812 443723896 /nfs/dbraw/zinc/72/38/96/443723896.db2.gz XPUVZJIAQMTGJO-HZPDHXFCSA-N 1 3 329.448 1.815 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC[NH2+]C(C)C)cc1 ZINC000520772126 320479898 /nfs/dbraw/zinc/47/98/98/320479898.db2.gz SUFAWCNMRXNEPM-QGZVFWFLSA-N 1 3 336.480 1.985 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241916 320617162 /nfs/dbraw/zinc/61/71/62/320617162.db2.gz RTKOBOPYXJONSM-ZBFHGGJFSA-N 1 3 325.497 1.770 20 0 EDADHO Cn1cc(-c2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cn1 ZINC000530242940 320617176 /nfs/dbraw/zinc/61/71/76/320617176.db2.gz VUWNJXFUBSXCHT-MRXNPFEDSA-N 1 3 345.447 1.666 20 0 EDADHO CN1CCN(c2cc(C[NH2+]C3CCN(C4CC4)CC3)ccn2)CC1 ZINC000298580457 443806732 /nfs/dbraw/zinc/80/67/32/443806732.db2.gz XTEICYXGNOGPAR-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO CN1CCN(c2cc(CNC3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000298580457 443806736 /nfs/dbraw/zinc/80/67/36/443806736.db2.gz XTEICYXGNOGPAR-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000563545557 321111298 /nfs/dbraw/zinc/11/12/98/321111298.db2.gz CELGQPTWJAPUCK-ROUUACIJSA-N 1 3 346.475 1.501 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565597732 321192666 /nfs/dbraw/zinc/19/26/66/321192666.db2.gz UOESSJNNFGVHEY-QGZVFWFLSA-N 1 3 334.464 1.222 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708587 321354807 /nfs/dbraw/zinc/35/48/07/321354807.db2.gz BOGZAYCRLVZVGS-OKZBNKHCSA-N 1 3 339.524 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnn1 ZINC000278306974 444135085 /nfs/dbraw/zinc/13/50/85/444135085.db2.gz DKSPWQHSUGDWQY-MRXNPFEDSA-N 1 3 334.468 1.034 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccnn1 ZINC000278306974 444135087 /nfs/dbraw/zinc/13/50/87/444135087.db2.gz DKSPWQHSUGDWQY-MRXNPFEDSA-N 1 3 334.468 1.034 20 0 EDADHO Cc1cc2ncn(C[C@H](O)C[NH2+]CCOCCN(C)C)c2cc1C ZINC000574512201 321486795 /nfs/dbraw/zinc/48/67/95/321486795.db2.gz MKSHKXNNMONJMK-MRXNPFEDSA-N 1 3 334.464 1.182 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157874 321544424 /nfs/dbraw/zinc/54/44/24/321544424.db2.gz UOULGUYCKBYWBH-NVXWUHKLSA-N 1 3 342.447 1.063 20 0 EDADHO CCC[C@@](C)(CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304882856 444254084 /nfs/dbraw/zinc/25/40/84/444254084.db2.gz IMGXQQSLGMWONW-SFHVURJKSA-N 1 3 340.512 1.395 20 0 EDADHO CC(C)N(C[C@@H](C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305017013 444255065 /nfs/dbraw/zinc/25/50/65/444255065.db2.gz FAZAOYFHIMKUMR-OAHLLOKOSA-N 1 3 340.512 1.346 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000290218218 444255580 /nfs/dbraw/zinc/25/55/80/444255580.db2.gz STAKVZDVXZWJMU-MSOLQXFVSA-N 1 3 345.491 1.098 20 0 EDADHO CC(C)CCOCCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959680 444338030 /nfs/dbraw/zinc/33/80/30/444338030.db2.gz XKKAJUDBGVRJJI-IAGOWNOFSA-N 1 3 325.497 1.629 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578425177 321771657 /nfs/dbraw/zinc/77/16/57/321771657.db2.gz PFBRZJGOSVTOHR-SJORKVTESA-N 1 3 346.475 1.520 20 0 EDADHO C[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580420866 322048212 /nfs/dbraw/zinc/04/82/12/322048212.db2.gz XKEQTRSTQZBBDJ-NVXWUHKLSA-N 1 3 345.491 1.985 20 0 EDADHO CC[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2ccccc2C1 ZINC000580941642 322114529 /nfs/dbraw/zinc/11/45/29/322114529.db2.gz YXPNEFMVULAMQV-WNRNVDISSA-N 1 3 328.460 1.340 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cn1cccn1 ZINC000581246088 322154145 /nfs/dbraw/zinc/15/41/45/322154145.db2.gz HVNQRNPYOSBKBF-RBUKOAKNSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246088 322154147 /nfs/dbraw/zinc/15/41/47/322154147.db2.gz HVNQRNPYOSBKBF-RBUKOAKNSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246088 322154152 /nfs/dbraw/zinc/15/41/52/322154152.db2.gz HVNQRNPYOSBKBF-RBUKOAKNSA-N 1 3 328.460 1.398 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000581309661 322162587 /nfs/dbraw/zinc/16/25/87/322162587.db2.gz HLQHCMDKSWMOEK-BBWFWOEESA-N 1 3 335.423 1.223 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000581597162 322196604 /nfs/dbraw/zinc/19/66/04/322196604.db2.gz KPSQMZRPCOHEGD-IAGOWNOFSA-N 1 3 332.448 1.020 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332312893 444509708 /nfs/dbraw/zinc/50/97/08/444509708.db2.gz TZXQWMHJPQTHDU-MXSMSXNCSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCN1C ZINC000343764722 444574077 /nfs/dbraw/zinc/57/40/77/444574077.db2.gz WDOGSLCFQGWQDR-CVEARBPZSA-N 1 3 338.496 1.413 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014888 444629418 /nfs/dbraw/zinc/62/94/18/444629418.db2.gz WRUVQMYTRJURRB-RCCFBDPRSA-N 1 3 337.508 1.745 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCN(C)CC1 ZINC000340962978 444600785 /nfs/dbraw/zinc/60/07/85/444600785.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCN(C)CC1 ZINC000340962978 444600786 /nfs/dbraw/zinc/60/07/86/444600786.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 1 3 339.528 1.040 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338280667 444608689 /nfs/dbraw/zinc/60/86/89/444608689.db2.gz LKMUAEYPAOVGOG-KRWDZBQOSA-N 1 3 341.496 1.310 20 0 EDADHO C[C@@H]1CN(CCCO[C@H]2CCCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000338283713 444610594 /nfs/dbraw/zinc/61/05/94/444610594.db2.gz SVWNEBITDHQSEM-QYZOEREBSA-N 1 3 339.524 1.878 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCOC2(CNC2)C1 ZINC000333501379 444676444 /nfs/dbraw/zinc/67/64/44/444676444.db2.gz DIVBGSFLRBZIHP-MRXNPFEDSA-N 1 3 336.480 1.167 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCOC2(CNC2)C1 ZINC000333501379 444676446 /nfs/dbraw/zinc/67/64/46/444676446.db2.gz DIVBGSFLRBZIHP-MRXNPFEDSA-N 1 3 336.480 1.167 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341161565 444703837 /nfs/dbraw/zinc/70/38/37/444703837.db2.gz XCKOKJIRNPWJBG-MRXNPFEDSA-N 1 3 344.503 1.821 20 0 EDADHO C[C@]1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCC[NH2+]C1 ZINC000333877966 444705662 /nfs/dbraw/zinc/70/56/62/444705662.db2.gz VRKNJBSEOMFUJX-SFHVURJKSA-N 1 3 338.496 1.130 20 0 EDADHO C[C@H](C(=O)NC1CCC(C)CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344040590 444744163 /nfs/dbraw/zinc/74/41/63/444744163.db2.gz VOGAPZWUNDKGAM-LXPRWKDFSA-N 1 3 340.556 1.885 20 0 EDADHO C[C@H](C[C@H](C)O)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341252462 444749521 /nfs/dbraw/zinc/74/95/21/444749521.db2.gz ZYPNCKUPFSUSIY-KGLIPLIRSA-N 1 3 326.485 1.004 20 0 EDADHO CC[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000338967952 444960445 /nfs/dbraw/zinc/96/04/45/444960445.db2.gz XVKWVELGXWXXKS-HUUCEWRRSA-N 1 3 342.528 1.268 20 0 EDADHO CC[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000338967953 444961034 /nfs/dbraw/zinc/96/10/34/444961034.db2.gz XVKWVELGXWXXKS-LSDHHAIUSA-N 1 3 342.528 1.268 20 0 EDADHO c1c(NCC[NH+]2CCCC2)nc(NCCN2CCCC2)nc1C1CC1 ZINC000341828497 445022490 /nfs/dbraw/zinc/02/24/90/445022490.db2.gz XMQFQJPPUQFECJ-UHFFFAOYSA-N 1 3 344.507 1.213 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993550 /nfs/dbraw/zinc/99/35/50/444993550.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 1 3 344.503 1.960 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993553 /nfs/dbraw/zinc/99/35/53/444993553.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 1 3 344.503 1.960 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000343020549 445009743 /nfs/dbraw/zinc/00/97/43/445009743.db2.gz QUFNQHRSVLKFFL-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079110 445160979 /nfs/dbraw/zinc/16/09/79/445160979.db2.gz DUORMEWDDIXSDV-BRWVUGGUSA-N 1 3 344.459 1.462 20 0 EDADHO CN(C)CCOC1CC[NH+](C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343565977 445245176 /nfs/dbraw/zinc/24/51/76/445245176.db2.gz KGZTVORFUXFYBA-QAPCUYQASA-N 1 3 336.480 1.540 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000348121246 445279579 /nfs/dbraw/zinc/27/95/79/445279579.db2.gz BYJDWCXPWNHZOU-HZMVEIRTSA-N 1 3 338.496 1.364 20 0 EDADHO CC[N@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1)C(C)C ZINC000348129579 445284423 /nfs/dbraw/zinc/28/44/23/445284423.db2.gz TZIMGFWMCTWOPX-SJORKVTESA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1)C(C)C ZINC000348129579 445284426 /nfs/dbraw/zinc/28/44/26/445284426.db2.gz TZIMGFWMCTWOPX-SJORKVTESA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000354678851 445337411 /nfs/dbraw/zinc/33/74/11/445337411.db2.gz WMRSNIDELPCFMW-IAGOWNOFSA-N 1 3 346.475 1.184 20 0 EDADHO CC[C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCO1 ZINC000356968116 445352765 /nfs/dbraw/zinc/35/27/65/445352765.db2.gz QDXJWTDWPXEZDS-RDJZCZTQSA-N 1 3 325.497 1.581 20 0 EDADHO CC[N@H+](CCC1CCN(CCCS(N)(=O)=O)CC1)CC1CC1 ZINC000357092667 445423626 /nfs/dbraw/zinc/42/36/26/445423626.db2.gz ZIRLENMBHKZOFK-UHFFFAOYSA-N 1 3 331.526 1.499 20 0 EDADHO CC[N@@H+](CCC1CCN(CCCS(N)(=O)=O)CC1)CC1CC1 ZINC000357092667 445423631 /nfs/dbraw/zinc/42/36/31/445423631.db2.gz ZIRLENMBHKZOFK-UHFFFAOYSA-N 1 3 331.526 1.499 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564961 445442235 /nfs/dbraw/zinc/44/22/35/445442235.db2.gz PQBZDGVWATUTFA-CQSZACIVSA-N 1 3 349.479 1.106 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C[C@@H](C)O1 ZINC000357171664 445465881 /nfs/dbraw/zinc/46/58/81/445465881.db2.gz HBCHCMCVYKVQPV-MTNOOBJLSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@@H](c1ccccc1)N(C)C ZINC000357290694 445529133 /nfs/dbraw/zinc/52/91/33/445529133.db2.gz VVWADRPFJCYWHR-QAPCUYQASA-N 1 3 341.459 1.906 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353430125 445598829 /nfs/dbraw/zinc/59/88/29/445598829.db2.gz RBWRCAWPRSDXIG-HOTGVXAUSA-N 1 3 325.497 1.626 20 0 EDADHO CC(C)[C@H](C(=O)NC[C@H](C)CN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000358017073 445599547 /nfs/dbraw/zinc/59/95/47/445599547.db2.gz UMFAHZAHQKMORJ-ZWKOTPCHSA-N 1 3 338.540 1.497 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1cccs1 ZINC000358512098 445625792 /nfs/dbraw/zinc/62/57/92/445625792.db2.gz UFLPSQPAXOOCAW-UHFFFAOYSA-N 1 3 336.461 1.149 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000358531464 445636856 /nfs/dbraw/zinc/63/68/56/445636856.db2.gz SPJMXHYSOMXFEI-HYVNUMGLSA-N 1 3 333.480 1.666 20 0 EDADHO COC[C@@H](C)[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360152689 445597549 /nfs/dbraw/zinc/59/75/49/445597549.db2.gz WQKPCVSBLSRWKK-HUUCEWRRSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@H](NCc1ccncc1OCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000353599639 445672624 /nfs/dbraw/zinc/67/26/24/445672624.db2.gz WWVMVTOOFWQUDM-AWEZNQCLSA-N 1 3 332.452 1.527 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(c2ccncc2OC)CC1)C1CC1 ZINC000353734718 445730976 /nfs/dbraw/zinc/73/09/76/445730976.db2.gz HHDWOZYYSXTBNM-UHFFFAOYSA-N 1 3 347.463 1.406 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(c2ccncc2OC)CC1)C1CC1 ZINC000353734718 445730981 /nfs/dbraw/zinc/73/09/81/445730981.db2.gz HHDWOZYYSXTBNM-UHFFFAOYSA-N 1 3 347.463 1.406 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCSC3)CC2)CC1 ZINC000353775685 445749904 /nfs/dbraw/zinc/74/99/04/445749904.db2.gz FWOBSKFAZBUSHJ-CQSZACIVSA-N 1 3 325.522 1.804 20 0 EDADHO CN(C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363481550 445822829 /nfs/dbraw/zinc/82/28/29/445822829.db2.gz TUBBSDZEKYPDLE-WOJBJXKFSA-N 1 3 331.504 1.690 20 0 EDADHO CN(C[C@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363481550 445822832 /nfs/dbraw/zinc/82/28/32/445822832.db2.gz TUBBSDZEKYPDLE-WOJBJXKFSA-N 1 3 331.504 1.690 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000356469309 445808241 /nfs/dbraw/zinc/80/82/41/445808241.db2.gz DZRCFOZJQNFSNS-GOSISDBHSA-N 1 3 346.475 1.513 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000582052011 325760816 /nfs/dbraw/zinc/76/08/16/325760816.db2.gz DFSFQMPXJSTONB-PVAVHDDUSA-N 1 3 335.423 1.014 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000361719453 445896446 /nfs/dbraw/zinc/89/64/46/445896446.db2.gz TUVYGGQKLQWFOE-GOSISDBHSA-N 1 3 345.487 1.442 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)c1cccc(OC)c1 ZINC000361723300 445898941 /nfs/dbraw/zinc/89/89/41/445898941.db2.gz NQUWFBCFXPXJMA-WMZOPIPTSA-N 1 3 337.439 1.896 20 0 EDADHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369198707 445988005 /nfs/dbraw/zinc/98/80/05/445988005.db2.gz YXEUOFVJFJTAOJ-ZWKOTPCHSA-N 1 3 345.491 1.639 20 0 EDADHO CC(C)(C)c1nc(CN2CCN(CCC3CC[NH2+]CC3)CC2)no1 ZINC000359212003 446040933 /nfs/dbraw/zinc/04/09/33/446040933.db2.gz NJKWABGNCUFYIQ-UHFFFAOYSA-N 1 3 335.496 1.874 20 0 EDADHO C[C@]1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321180 326049921 /nfs/dbraw/zinc/04/99/21/326049921.db2.gz PJVGGALQVVEAFO-HKUYNNGSSA-N 1 3 330.476 1.800 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000583439618 326073546 /nfs/dbraw/zinc/07/35/46/326073546.db2.gz BUYHPOQHSBMUGU-SZMVWBNQSA-N 1 3 330.476 1.879 20 0 EDADHO CC[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000583682522 326117094 /nfs/dbraw/zinc/11/70/94/326117094.db2.gz ZFTNECUENGUHCO-ZWKOTPCHSA-N 1 3 330.476 1.875 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H](C)OC)CC2)CC1 ZINC000583761859 326136109 /nfs/dbraw/zinc/13/61/09/326136109.db2.gz DRAUJKPAMUBGSI-GJZGRUSLSA-N 1 3 325.497 1.722 20 0 EDADHO COC[C@H](C)OC[C@@H](O)CN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000373144899 446057989 /nfs/dbraw/zinc/05/79/89/446057989.db2.gz FBUZQGSSRSOETE-HKUYNNGSSA-N 1 3 342.524 1.843 20 0 EDADHO C[C@H](C[C@H]1COCCN1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000584285844 326235140 /nfs/dbraw/zinc/23/51/40/326235140.db2.gz YBWBWUQZVPITRT-VYDXJSESSA-N 1 3 333.480 1.401 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000359266892 446103748 /nfs/dbraw/zinc/10/37/48/446103748.db2.gz UXOOJHDZNRLEAF-JKSUJKDBSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000359266892 446103752 /nfs/dbraw/zinc/10/37/52/446103752.db2.gz UXOOJHDZNRLEAF-JKSUJKDBSA-N 1 3 340.512 1.214 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N(C)CC[NH3+])CC2)cc1 ZINC000417327059 446345586 /nfs/dbraw/zinc/34/55/86/446345586.db2.gz GSZPLOBCDNRSOX-UHFFFAOYSA-N 1 3 334.464 1.507 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843495 446367212 /nfs/dbraw/zinc/36/72/12/446367212.db2.gz LOKKSQZYINUQFK-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953193 446398765 /nfs/dbraw/zinc/39/87/65/446398765.db2.gz ZBPFBIMTURDKFB-BFHYXJOUSA-N 1 3 326.391 1.714 20 0 EDADHO COc1ccc(C[C@](C)(O)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423141503 446438593 /nfs/dbraw/zinc/43/85/93/446438593.db2.gz QLYQQYVKASMMJK-ALKREAHSSA-N 1 3 336.476 1.975 20 0 EDADHO COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CCNCC[C@H]2C)cc1OC ZINC000423141503 446438598 /nfs/dbraw/zinc/43/85/98/446438598.db2.gz QLYQQYVKASMMJK-ALKREAHSSA-N 1 3 336.476 1.975 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCN(C)C(C)C)ccc1C[NH+](C)C ZINC000411244054 446441239 /nfs/dbraw/zinc/44/12/39/446441239.db2.gz MMNBFNYKDVYNGE-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)ccc1CN(C)C ZINC000411244054 446441245 /nfs/dbraw/zinc/44/12/45/446441245.db2.gz MMNBFNYKDVYNGE-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)ccc1CN(C)C ZINC000411244054 446441254 /nfs/dbraw/zinc/44/12/54/446441254.db2.gz MMNBFNYKDVYNGE-UHFFFAOYSA-N 1 3 334.464 1.452 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156739 446442242 /nfs/dbraw/zinc/44/22/42/446442242.db2.gz UDWACBMWJLVLKK-YNVMFWSZSA-N 1 3 343.471 1.695 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789272 446442354 /nfs/dbraw/zinc/44/23/54/446442354.db2.gz WMOUUZOKFHXTHO-IAGOWNOFSA-N 1 3 333.501 1.814 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132018 446442372 /nfs/dbraw/zinc/44/23/72/446442372.db2.gz DJPBSXFTURZSSY-ZWKOTPCHSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000418172099 446445475 /nfs/dbraw/zinc/44/54/75/446445475.db2.gz OZTGRDAEXIHSSB-HNNXBMFYSA-N 1 3 347.507 1.532 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420287526 446453109 /nfs/dbraw/zinc/45/31/09/446453109.db2.gz IAJDKFJJAIWHEF-SZMVWBNQSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417994766 446410255 /nfs/dbraw/zinc/41/02/55/446410255.db2.gz YZXGHHHCVOFNCB-OCCSQVGLSA-N 1 3 328.407 1.789 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418046003 446424101 /nfs/dbraw/zinc/42/41/01/446424101.db2.gz PSEQNGQZZUQNCB-IBGZPJMESA-N 1 3 348.491 1.576 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CC[NH2+]CC1 ZINC000370766851 446426167 /nfs/dbraw/zinc/42/61/67/446426167.db2.gz OXYRZKNCPPJUOR-SFHVURJKSA-N 1 3 345.487 1.578 20 0 EDADHO Cc1ccc(CN2CCCN(C(=O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457793 /nfs/dbraw/zinc/45/77/93/446457793.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 1 3 344.503 1.310 20 0 EDADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420306184 446470455 /nfs/dbraw/zinc/47/04/55/446470455.db2.gz AADSASACPGAKFO-QGZVFWFLSA-N 1 3 342.487 1.193 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296720 446475761 /nfs/dbraw/zinc/47/57/61/446475761.db2.gz HNIFIHYEIMZXJP-QZTJIDSGSA-N 1 3 341.459 1.840 20 0 EDADHO CC[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000423326925 446488900 /nfs/dbraw/zinc/48/89/00/446488900.db2.gz MNVYITAVVRPXKW-QUCCMNQESA-N 1 3 345.487 1.566 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420325733 446493840 /nfs/dbraw/zinc/49/38/40/446493840.db2.gz BSDXMAUOFMKLFT-KURKYZTESA-N 1 3 345.487 1.810 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC000433352512 446561125 /nfs/dbraw/zinc/56/11/25/446561125.db2.gz MTPQUZJUPXDSDZ-UHFFFAOYSA-N 1 3 333.476 1.979 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418382516 446523031 /nfs/dbraw/zinc/52/30/31/446523031.db2.gz IECRSJYTAFYCRX-KSZLIROESA-N 1 3 348.491 1.152 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000423425954 446531660 /nfs/dbraw/zinc/53/16/60/446531660.db2.gz DTCOMWPHFFNNED-BEFAXECRSA-N 1 3 345.487 1.648 20 0 EDADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423443285 446539641 /nfs/dbraw/zinc/53/96/41/446539641.db2.gz WWXZFKURDBWBQD-PUYPPJJSSA-N 1 3 331.229 1.689 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418512991 446574926 /nfs/dbraw/zinc/57/49/26/446574926.db2.gz FQAMUXKODJSVMT-UHFFFAOYSA-N 1 3 333.480 1.545 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532431 446583833 /nfs/dbraw/zinc/58/38/33/446583833.db2.gz SVDVJZFUBXBUPF-SOUVJXGZSA-N 1 3 326.485 1.255 20 0 EDADHO CCN(CC)CCN(CCOC)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367920944 446608159 /nfs/dbraw/zinc/60/81/59/446608159.db2.gz MKUPHLYGTYXVAD-ROUUACIJSA-N 1 3 326.529 1.750 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367919601 446608967 /nfs/dbraw/zinc/60/89/67/446608967.db2.gz ZRXYTJWKGWUVHN-SZMVWBNQSA-N 1 3 335.492 1.620 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418659193 446637391 /nfs/dbraw/zinc/63/73/91/446637391.db2.gz VHIIYXRRPIMNPB-QGZVFWFLSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453762631 446643396 /nfs/dbraw/zinc/64/33/96/446643396.db2.gz WTICKGNWULYLFV-LRDDRELGSA-N 1 3 332.448 1.240 20 0 EDADHO CN1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418690856 446649047 /nfs/dbraw/zinc/64/90/47/446649047.db2.gz XJEOKNWFEIIOFL-YQVWRLOYSA-N 1 3 328.460 1.479 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000368116052 446650748 /nfs/dbraw/zinc/65/07/48/446650748.db2.gz RWKABDJHLLVHFM-RYQLBKOJSA-N 1 3 336.524 1.012 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375227152 446655823 /nfs/dbraw/zinc/65/58/23/446655823.db2.gz KTNYBNZEUOFJJB-GOSISDBHSA-N 1 3 342.487 1.998 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375227152 446655824 /nfs/dbraw/zinc/65/58/24/446655824.db2.gz KTNYBNZEUOFJJB-GOSISDBHSA-N 1 3 342.487 1.998 20 0 EDADHO CN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@@H](c2ccccc2)C1 ZINC000423722573 446660881 /nfs/dbraw/zinc/66/08/81/446660881.db2.gz GJRWJNQRJSZIJI-CRAIPNDOSA-N 1 3 339.443 1.616 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNC[C@H]1CCCO1 ZINC000423741887 446672557 /nfs/dbraw/zinc/67/25/57/446672557.db2.gz KTWIHEKXUFGZPZ-GOSISDBHSA-N 1 3 333.476 1.865 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418628074 446622214 /nfs/dbraw/zinc/62/22/14/446622214.db2.gz OMPUIVGKZYQCTB-APWZRJJASA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411631565 446627847 /nfs/dbraw/zinc/62/78/47/446627847.db2.gz MSKPHNUIVACILF-NXHRZFHOSA-N 1 3 335.492 1.524 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418833713 446738583 /nfs/dbraw/zinc/73/85/83/446738583.db2.gz LHZVYTCPUVPNBF-CQSZACIVSA-N 1 3 326.485 1.001 20 0 EDADHO COCCNCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894610 446747913 /nfs/dbraw/zinc/74/79/13/446747913.db2.gz DZAFLQVEJARILV-SJLPKXTDSA-N 1 3 333.476 1.639 20 0 EDADHO COCCNCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894610 446747917 /nfs/dbraw/zinc/74/79/17/446747917.db2.gz DZAFLQVEJARILV-SJLPKXTDSA-N 1 3 333.476 1.639 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368363544 446812906 /nfs/dbraw/zinc/81/29/06/446812906.db2.gz VBRDTHQHNKZXSU-ALOPSCKCSA-N 1 3 337.508 1.628 20 0 EDADHO C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])N(C)Cc1ccccc1 ZINC000418945044 446817759 /nfs/dbraw/zinc/81/77/59/446817759.db2.gz KYOFBUVEQQJHRS-OAHLLOKOSA-N 1 3 348.491 1.066 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424035666 446826961 /nfs/dbraw/zinc/82/69/61/446826961.db2.gz FUIBAVCGATVVOF-DOTOQJQBSA-N 1 3 332.492 1.470 20 0 EDADHO CCC(CC)(CNC(=O)C(=O)N(C)CCN)[NH2+][C@@H](C)c1ccccc1 ZINC000418960981 446830240 /nfs/dbraw/zinc/83/02/40/446830240.db2.gz JLDCBKXFHNLPBQ-HNNXBMFYSA-N 1 3 348.491 1.429 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC[C@H]1C ZINC000424127002 446858253 /nfs/dbraw/zinc/85/82/53/446858253.db2.gz CMFYYTATHRTTKF-KFWWJZLASA-N 1 3 334.468 1.195 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000424227305 446863472 /nfs/dbraw/zinc/86/34/72/446863472.db2.gz QJNLZHQVEPNVFN-BBWFWOEESA-N 1 3 333.480 1.184 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000424298485 446866587 /nfs/dbraw/zinc/86/65/87/446866587.db2.gz DGJGAKQPIWESQC-CQXHKVKOSA-N 1 3 348.491 1.641 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000424451949 446872402 /nfs/dbraw/zinc/87/24/02/446872402.db2.gz ICQCWKRXHJQYPE-QGZVFWFLSA-N 1 3 344.459 1.479 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1 ZINC000424461257 446878370 /nfs/dbraw/zinc/87/83/70/446878370.db2.gz CXOCEFXPAHDYJN-YOEHRIQHSA-N 1 3 344.459 1.477 20 0 EDADHO CN([C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371473188 446878964 /nfs/dbraw/zinc/87/89/64/446878964.db2.gz LXBJHDKPZBSEGF-DFQSSKMNSA-N 1 3 329.488 1.745 20 0 EDADHO CN([C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371473188 446878969 /nfs/dbraw/zinc/87/89/69/446878969.db2.gz LXBJHDKPZBSEGF-DFQSSKMNSA-N 1 3 329.488 1.745 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCN2CCc3ccccc32)C1 ZINC000443059845 447002366 /nfs/dbraw/zinc/00/23/66/447002366.db2.gz NMFYKPOPLDBSGN-INIZCTEOSA-N 1 3 330.476 1.226 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NCCN2CCCC(C)(C)C2)ccn1 ZINC000444629075 447112112 /nfs/dbraw/zinc/11/21/12/447112112.db2.gz JVXXCZWANZPQTC-UHFFFAOYSA-N 1 3 348.491 1.874 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444170477 447085025 /nfs/dbraw/zinc/08/50/25/447085025.db2.gz VCYTVCHLICPSKH-AZUAARDMSA-N 1 3 327.472 1.809 20 0 EDADHO CC[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000444187712 447092468 /nfs/dbraw/zinc/09/24/68/447092468.db2.gz SNLGJCFGIITIDH-GGPKGHCWSA-N 1 3 327.472 1.939 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455659296 447201026 /nfs/dbraw/zinc/20/10/26/447201026.db2.gz PMIKSGJCEZSORV-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1CCN(C)C ZINC000455659296 447201030 /nfs/dbraw/zinc/20/10/30/447201030.db2.gz PMIKSGJCEZSORV-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1noc(C)c1C ZINC000455676473 447207766 /nfs/dbraw/zinc/20/77/66/447207766.db2.gz UQTLCLZCHBVBET-HNNXBMFYSA-N 1 3 337.468 2.171 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1noc(C)c1C ZINC000455676473 447207769 /nfs/dbraw/zinc/20/77/69/447207769.db2.gz UQTLCLZCHBVBET-HNNXBMFYSA-N 1 3 337.468 2.171 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@H]([NH3+])[C@H]3C)c2)CC1 ZINC000415500253 447483532 /nfs/dbraw/zinc/48/35/32/447483532.db2.gz MJOYQQOPCOEMTN-PBHICJAKSA-N 1 3 331.464 1.782 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033975 447510257 /nfs/dbraw/zinc/51/02/57/447510257.db2.gz XVSYBLXBBKIQLE-OALUTQOASA-N 1 3 345.487 1.926 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC1 ZINC000419967051 447519240 /nfs/dbraw/zinc/51/92/40/447519240.db2.gz ZVPVLANTSZVLPB-INIZCTEOSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416206660 447537430 /nfs/dbraw/zinc/53/74/30/447537430.db2.gz BFNRVBZFBNUICG-LPHOPBHVSA-N 1 3 347.503 1.983 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000416206660 447537433 /nfs/dbraw/zinc/53/74/33/447537433.db2.gz BFNRVBZFBNUICG-LPHOPBHVSA-N 1 3 347.503 1.983 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000457531921 447589920 /nfs/dbraw/zinc/58/99/20/447589920.db2.gz LXKUIJHNQQGXCY-FUHWJXTLSA-N 1 3 349.523 1.473 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC000457531921 447589925 /nfs/dbraw/zinc/58/99/25/447589925.db2.gz LXKUIJHNQQGXCY-FUHWJXTLSA-N 1 3 349.523 1.473 20 0 EDADHO Cc1c(Cl)c(CNC2CCC([NH+]3CCNCC3)CC2)nn1C ZINC000422554572 447640645 /nfs/dbraw/zinc/64/06/45/447640645.db2.gz MRDUFJFPTSRALD-UHFFFAOYSA-N 1 3 325.888 1.688 20 0 EDADHO Cc1c(Cl)c(CNC2CCC(N3CC[NH2+]CC3)CC2)nn1C ZINC000422554572 447640652 /nfs/dbraw/zinc/64/06/52/447640652.db2.gz MRDUFJFPTSRALD-UHFFFAOYSA-N 1 3 325.888 1.688 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420155153 447643629 /nfs/dbraw/zinc/64/36/29/447643629.db2.gz FCYUKQCKNHHMCF-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)N2CCCC2)cc1 ZINC000416814115 447691315 /nfs/dbraw/zinc/69/13/15/447691315.db2.gz FONHGKUASBSPBA-QZTJIDSGSA-N 1 3 346.475 1.869 20 0 EDADHO O=C(COc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1)NC1CC1 ZINC000422709254 447722985 /nfs/dbraw/zinc/72/29/85/447722985.db2.gz KDADYFOELZFDTM-INIZCTEOSA-N 1 3 331.460 1.618 20 0 EDADHO O=C(COc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1)NC1CC1 ZINC000422709254 447722989 /nfs/dbraw/zinc/72/29/89/447722989.db2.gz KDADYFOELZFDTM-INIZCTEOSA-N 1 3 331.460 1.618 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000422713789 447725374 /nfs/dbraw/zinc/72/53/74/447725374.db2.gz HXOBCNNGYAOHFI-PXNSSMCTSA-N 1 3 347.503 1.875 20 0 EDADHO COCCN(C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719311 447727481 /nfs/dbraw/zinc/72/74/81/447727481.db2.gz YKJZZSCCNZPVBO-LPHOPBHVSA-N 1 3 335.492 1.731 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422747393 447737139 /nfs/dbraw/zinc/73/71/39/447737139.db2.gz QCDLJPPUPDVVEJ-RRFJBIMHSA-N 1 3 341.377 1.775 20 0 EDADHO CN(c1ccccc1CN1C[C@H](O)[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711182 447749073 /nfs/dbraw/zinc/74/90/73/447749073.db2.gz QSENWFVHOKWVTI-LPHOPBHVSA-N 1 3 333.476 1.002 20 0 EDADHO CN(C[C@](C)(O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811895 /nfs/dbraw/zinc/81/18/95/447811895.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@](C)(O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811897 /nfs/dbraw/zinc/81/18/97/447811897.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 1 3 341.496 1.632 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915945 447772618 /nfs/dbraw/zinc/77/26/18/447772618.db2.gz ZLJMRAHZTFIOHA-GJZGRUSLSA-N 1 3 339.505 1.696 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000423110965 447806908 /nfs/dbraw/zinc/80/69/08/447806908.db2.gz PRJZOKALVHEIPP-NOOOWODRSA-N 1 3 325.482 1.651 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000471651249 447807235 /nfs/dbraw/zinc/80/72/35/447807235.db2.gz BFPYRTUYNZEPOH-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000530813978 447961940 /nfs/dbraw/zinc/96/19/40/447961940.db2.gz ZZYOKFWRJNEEBO-HXUWFJFHSA-N 1 3 347.503 1.858 20 0 EDADHO CN1CC[C@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007483 /nfs/dbraw/zinc/00/74/83/448007483.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 1 3 327.469 1.290 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253177 448007486 /nfs/dbraw/zinc/00/74/86/448007486.db2.gz POEGLAKQWXPCGS-SJORKVTESA-N 1 3 327.469 1.290 20 0 EDADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CN4CCN3CCC4)ccc21 ZINC000570902896 448080477 /nfs/dbraw/zinc/08/04/77/448080477.db2.gz CFBUIIFKRAORHH-QZTJIDSGSA-N 1 3 328.460 1.564 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571059703 448103486 /nfs/dbraw/zinc/10/34/86/448103486.db2.gz RRFJKDRNRFJZRP-SJORKVTESA-N 1 3 338.496 1.128 20 0 EDADHO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000576864625 448158232 /nfs/dbraw/zinc/15/82/32/448158232.db2.gz XYJMXFPEJNPJPI-LJQANCHMSA-N 1 3 336.476 1.519 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000526975562 448129044 /nfs/dbraw/zinc/12/90/44/448129044.db2.gz SJQCQMAXRUVZFA-CQSZACIVSA-N 1 3 345.447 1.159 20 0 EDADHO C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N(C)C1CC1 ZINC000531770779 448141143 /nfs/dbraw/zinc/14/11/43/448141143.db2.gz FKPJQILJSMCHED-KBRIMQKVSA-N 1 3 338.496 1.146 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626101 448181090 /nfs/dbraw/zinc/18/10/90/448181090.db2.gz SPOJXRZVMXUSFQ-WMZOPIPTSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@H]1CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[C@H]1[NH3+] ZINC000514722023 448193388 /nfs/dbraw/zinc/19/33/88/448193388.db2.gz MRRXGRLMOALEKA-KWCMIHLGSA-N 1 3 348.413 1.780 20 0 EDADHO CCOC1CC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)(N2CCOCC2)C1 ZINC000577839752 448398714 /nfs/dbraw/zinc/39/87/14/448398714.db2.gz SGWSVLJEOVZHOW-DSOJJBLGSA-N 1 3 345.487 1.991 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccc3c2NCC3)C1)[C@H]1CCC[NH2+]1 ZINC000566230581 448422383 /nfs/dbraw/zinc/42/23/83/448422383.db2.gz CFISGVOHXGZCNZ-MAUKXSAKSA-N 1 3 342.487 1.735 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000533812371 448423793 /nfs/dbraw/zinc/42/37/93/448423793.db2.gz FJRRXXYXNOKPLU-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000533812371 448423797 /nfs/dbraw/zinc/42/37/97/448423797.db2.gz FJRRXXYXNOKPLU-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000566237353 448425389 /nfs/dbraw/zinc/42/53/89/448425389.db2.gz RGSABVUUMDGZMQ-CABCVRRESA-N 1 3 346.475 1.009 20 0 EDADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)CN1CCCC1 ZINC000572713947 448445287 /nfs/dbraw/zinc/44/52/87/448445287.db2.gz OJKIPCXRWMLHPO-CABCVRRESA-N 1 3 336.432 1.477 20 0 EDADHO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000516649054 448457046 /nfs/dbraw/zinc/45/70/46/448457046.db2.gz VXZUBZJQLPJVAQ-LJQANCHMSA-N 1 3 343.471 1.444 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455231 448536398 /nfs/dbraw/zinc/53/63/98/448536398.db2.gz DRWACVABHPGFBG-BBWFWOEESA-N 1 3 328.497 1.379 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455231 448536403 /nfs/dbraw/zinc/53/64/03/448536403.db2.gz DRWACVABHPGFBG-BBWFWOEESA-N 1 3 328.497 1.379 20 0 EDADHO Cc1c(C(=O)N2CCCN(C(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000584472444 448540604 /nfs/dbraw/zinc/54/06/04/448540604.db2.gz QAEVJBDGYXWUES-UHFFFAOYSA-N 1 3 334.468 1.067 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000573486082 448639760 /nfs/dbraw/zinc/63/97/60/448639760.db2.gz ZXLYKAKGELQVDH-SFHVURJKSA-N 1 3 345.487 1.879 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529110126 448764354 /nfs/dbraw/zinc/76/43/54/448764354.db2.gz PHWRMMALCOECAW-OAHLLOKOSA-N 1 3 334.468 1.583 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000529110126 448764359 /nfs/dbraw/zinc/76/43/59/448764359.db2.gz PHWRMMALCOECAW-OAHLLOKOSA-N 1 3 334.468 1.583 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573916991 448746737 /nfs/dbraw/zinc/74/67/37/448746737.db2.gz IHUOCMVSZRSEKE-ZNMIVQPWSA-N 1 3 334.468 1.023 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCc3ccc(C[NH3+])cc3)n2)CC1 ZINC000567865701 448778219 /nfs/dbraw/zinc/77/82/19/448778219.db2.gz CRDKUCKRSSQACS-UHFFFAOYSA-N 1 3 342.447 1.930 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319729 448820629 /nfs/dbraw/zinc/82/06/29/448820629.db2.gz CLZCDLCYGSGBMQ-DOTOQJQBSA-N 1 3 346.475 1.314 20 0 EDADHO CC(C)[C@H](CNC(=O)c1ccn(CCN(C)C)n1)[NH+]1CCC(C)CC1 ZINC000568194197 448833659 /nfs/dbraw/zinc/83/36/59/448833659.db2.gz AEVDACVLIHBFNW-SFHVURJKSA-N 1 3 349.523 1.931 20 0 EDADHO C[C@H](NC(C)(C)C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946860 448917007 /nfs/dbraw/zinc/91/70/07/448917007.db2.gz COKHPRNKLOXDSY-HKUYNNGSSA-N 1 3 348.535 1.314 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000579946860 448917013 /nfs/dbraw/zinc/91/70/13/448917013.db2.gz COKHPRNKLOXDSY-HKUYNNGSSA-N 1 3 348.535 1.314 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000574742633 448945306 /nfs/dbraw/zinc/94/53/06/448945306.db2.gz WYGMZIVWVDPJND-CQSZACIVSA-N 1 3 333.436 1.064 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575023494 449015451 /nfs/dbraw/zinc/01/54/51/449015451.db2.gz JSSCKCFRJHPGQR-ZFWWWQNUSA-N 1 3 331.464 1.894 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000575127831 449043692 /nfs/dbraw/zinc/04/36/92/449043692.db2.gz RPILPWAIOVYXEY-ZDUSSCGKSA-N 1 3 331.407 1.135 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000522147021 449055929 /nfs/dbraw/zinc/05/59/29/449055929.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000522147021 449055933 /nfs/dbraw/zinc/05/59/33/449055933.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000522201061 449062328 /nfs/dbraw/zinc/06/23/28/449062328.db2.gz NDRBEBFDDHFYQT-ZWKOTPCHSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1c(C(=O)NC2CC(N3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000575399624 449088308 /nfs/dbraw/zinc/08/83/08/449088308.db2.gz KZDRSXZDMXVVQA-UHFFFAOYSA-N 1 3 346.479 1.258 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC[NH+](C)CC1 ZINC000595634230 449091480 /nfs/dbraw/zinc/09/14/80/449091480.db2.gz GNGSNNLXWONDIH-CQSZACIVSA-N 1 3 342.553 1.986 20 0 EDADHO CCOC(=O)c1cccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000600118039 449200090 /nfs/dbraw/zinc/20/00/90/449200090.db2.gz PPVMIXFUJMNPMV-HNNXBMFYSA-N 1 3 349.475 1.783 20 0 EDADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900397 449242193 /nfs/dbraw/zinc/24/21/93/449242193.db2.gz FDUGLMCEOYJWHP-UKRRQHHQSA-N 1 3 338.496 1.711 20 0 EDADHO CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909689 449248015 /nfs/dbraw/zinc/24/80/15/449248015.db2.gz MQNCFNDTNRIAFE-HWMZRRJGSA-N 1 3 341.496 1.530 20 0 EDADHO CC(C)OC(=O)[C@H](C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964640 449248687 /nfs/dbraw/zinc/24/86/87/449248687.db2.gz KBDFBDGNYFRENF-APWZRJJASA-N 1 3 334.460 1.801 20 0 EDADHO CC(C)OC(=O)[C@H](C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964640 449248692 /nfs/dbraw/zinc/24/86/92/449248692.db2.gz KBDFBDGNYFRENF-APWZRJJASA-N 1 3 334.460 1.801 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccn1 ZINC000617346075 449566744 /nfs/dbraw/zinc/56/67/44/449566744.db2.gz NLPUFUCHUFUUIH-OAHLLOKOSA-N 1 3 334.464 1.625 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)ccn1 ZINC000617346075 449566749 /nfs/dbraw/zinc/56/67/49/449566749.db2.gz NLPUFUCHUFUUIH-OAHLLOKOSA-N 1 3 334.464 1.625 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000607240308 449589963 /nfs/dbraw/zinc/58/99/63/449589963.db2.gz PBTHWEJWYIDDQA-UHFFFAOYSA-N 1 3 334.464 1.256 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469703 449615499 /nfs/dbraw/zinc/61/54/99/449615499.db2.gz WCYPLJLLKZTLAR-NPMXOYFQSA-N 1 3 343.537 1.114 20 0 EDADHO O=C1CCCN1C[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601062288 449676390 /nfs/dbraw/zinc/67/63/90/449676390.db2.gz ODXZPWYBMIMORH-SFHVURJKSA-N 1 3 337.508 1.558 20 0 EDADHO CC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503468 449646884 /nfs/dbraw/zinc/64/68/84/449646884.db2.gz KUTYBDHGOZZZSE-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO CC(=O)Nc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503468 449646890 /nfs/dbraw/zinc/64/68/90/449646890.db2.gz KUTYBDHGOZZZSE-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601243547 449770102 /nfs/dbraw/zinc/77/01/02/449770102.db2.gz QJNRCJMDFNXNBA-HOTGVXAUSA-N 1 3 340.512 1.110 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000601285855 449799380 /nfs/dbraw/zinc/79/93/80/449799380.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000601285855 449799383 /nfs/dbraw/zinc/79/93/83/449799383.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000608705770 449917027 /nfs/dbraw/zinc/91/70/27/449917027.db2.gz KJSQJQCQPLAVMO-IEBWSBKVSA-N 1 3 332.492 1.851 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000623061101 450386610 /nfs/dbraw/zinc/38/66/10/450386610.db2.gz UAZREWFLHPTARS-UHFFFAOYSA-N 1 3 334.464 1.981 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C)[C@@H]1C ZINC000620747004 450538308 /nfs/dbraw/zinc/53/83/08/450538308.db2.gz KFBBTOCRNMNBPU-HOTGVXAUSA-N 1 3 340.512 1.118 20 0 EDADHO CN(CCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1ccncc1 ZINC000620975590 450567989 /nfs/dbraw/zinc/56/79/89/450567989.db2.gz XYYIFEPZOWWQNL-KRWDZBQOSA-N 1 3 334.464 1.477 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000631521402 450633937 /nfs/dbraw/zinc/63/39/37/450633937.db2.gz SPKQJHNSGCHYQV-INIZCTEOSA-N 1 3 333.480 1.393 20 0 EDADHO c1cc(CN2CCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000629550460 450729946 /nfs/dbraw/zinc/72/99/46/450729946.db2.gz MQFXDWYHKOKHIA-FUMNGEBKSA-N 1 3 344.503 1.793 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849626 450823939 /nfs/dbraw/zinc/82/39/39/450823939.db2.gz PAIJDCLXGWSQGD-SNRMKQJTSA-N 1 3 342.487 1.202 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000631830098 450801948 /nfs/dbraw/zinc/80/19/48/450801948.db2.gz JLKNJBBLCKLXAR-JKSUJKDBSA-N 1 3 333.480 1.568 20 0 EDADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@H]21 ZINC000627649396 450866951 /nfs/dbraw/zinc/86/69/51/450866951.db2.gz VIIMWSAHINFVHO-WNRNVDISSA-N 1 3 328.460 1.312 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)N1CCCCCC1 ZINC000627739907 450909933 /nfs/dbraw/zinc/90/99/33/450909933.db2.gz VCYKDBWXWRRBOG-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)N1CCCCCC1 ZINC000627739907 450909940 /nfs/dbraw/zinc/90/99/40/450909940.db2.gz VCYKDBWXWRRBOG-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000632101172 451036934 /nfs/dbraw/zinc/03/69/34/451036934.db2.gz QOYCTMVAYSVZDO-JKSUJKDBSA-N 1 3 348.495 1.143 20 0 EDADHO CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000632101172 451036941 /nfs/dbraw/zinc/03/69/41/451036941.db2.gz QOYCTMVAYSVZDO-JKSUJKDBSA-N 1 3 348.495 1.143 20 0 EDADHO CCC[C@H](CCO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000633830259 451038956 /nfs/dbraw/zinc/03/89/56/451038956.db2.gz IVAXEOWCQSKJHO-QGZVFWFLSA-N 1 3 339.524 1.850 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000635543614 451039769 /nfs/dbraw/zinc/03/97/69/451039769.db2.gz UGAGNYCNDCRRLQ-MRXNPFEDSA-N 1 3 333.480 1.148 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000635543614 451039774 /nfs/dbraw/zinc/03/97/74/451039774.db2.gz UGAGNYCNDCRRLQ-MRXNPFEDSA-N 1 3 333.480 1.148 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999407 451064421 /nfs/dbraw/zinc/06/44/21/451064421.db2.gz ZCTCOKJEFNWVLX-XWUBHJNHSA-N 1 3 348.413 1.638 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012909 451076536 /nfs/dbraw/zinc/07/65/36/451076536.db2.gz JOKNINHUBIBDAD-WBVHZDCISA-N 1 3 346.475 1.314 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635639359 451127295 /nfs/dbraw/zinc/12/72/95/451127295.db2.gz GEQMPLXUQGHIAI-ZWKOTPCHSA-N 1 3 337.508 1.963 20 0 EDADHO Cc1nc(C)c(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000628210044 451183254 /nfs/dbraw/zinc/18/32/54/451183254.db2.gz FDJOMCIVODDPIV-UHFFFAOYSA-N 1 3 329.448 1.988 20 0 EDADHO CN(C(=O)NCCOCCC[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000627212710 451190043 /nfs/dbraw/zinc/19/00/43/451190043.db2.gz PYZXOQITGUWQRU-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO COCC[C@H]([NH3+])Cc1cn([C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000630591817 451267781 /nfs/dbraw/zinc/26/77/81/451267781.db2.gz HPLUYKHDEQBBOZ-WMZOPIPTSA-N 1 3 329.448 1.631 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289806 /nfs/dbraw/zinc/28/98/06/451289806.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 1 3 346.519 1.777 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289809 /nfs/dbraw/zinc/28/98/09/451289809.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 1 3 346.519 1.777 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124302 451293569 /nfs/dbraw/zinc/29/35/69/451293569.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 1 3 332.492 1.387 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124302 451293573 /nfs/dbraw/zinc/29/35/73/451293573.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 1 3 332.492 1.387 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC1C[NH2+]C1 ZINC000638230158 451370772 /nfs/dbraw/zinc/37/07/72/451370772.db2.gz ARJLPUUZBRLQQD-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CC2(O)CCOCC2)c1 ZINC000634700491 451473948 /nfs/dbraw/zinc/47/39/48/451473948.db2.gz ANNCOPOQEXZZDF-GOSISDBHSA-N 1 3 336.476 1.520 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CC2(O)CCOCC2)c1 ZINC000634700491 451473951 /nfs/dbraw/zinc/47/39/51/451473951.db2.gz ANNCOPOQEXZZDF-GOSISDBHSA-N 1 3 336.476 1.520 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000630909740 451478108 /nfs/dbraw/zinc/47/81/08/451478108.db2.gz AFTBUZNGRFUANE-QGZVFWFLSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724282 451505709 /nfs/dbraw/zinc/50/57/09/451505709.db2.gz NGDSPMUNJJWCCJ-HOJAQTOUSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CN1CCOCC1 ZINC000634724282 451505714 /nfs/dbraw/zinc/50/57/14/451505714.db2.gz NGDSPMUNJJWCCJ-HOJAQTOUSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CN1CCOCC1 ZINC000634724282 451505719 /nfs/dbraw/zinc/50/57/19/451505719.db2.gz NGDSPMUNJJWCCJ-HOJAQTOUSA-N 1 3 347.503 1.037 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526773 451558286 /nfs/dbraw/zinc/55/82/86/451558286.db2.gz PRLZTWHIXYWLQH-INIZCTEOSA-N 1 3 348.491 1.941 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000638555393 451574918 /nfs/dbraw/zinc/57/49/18/451574918.db2.gz IBGZDGJGOZUIMG-UTLUCORTSA-N 1 3 329.313 1.217 20 0 EDADHO C[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000638783094 451689827 /nfs/dbraw/zinc/68/98/27/451689827.db2.gz HILFLJARYFRAQK-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1C[C@@H](CCNCc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797148 451693917 /nfs/dbraw/zinc/69/39/17/451693917.db2.gz PASUQGRKPNXSIY-GOEBONIOSA-N 1 3 340.475 1.692 20 0 EDADHO C[C@H]1C[C@@H](CCNCc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797148 451693919 /nfs/dbraw/zinc/69/39/19/451693919.db2.gz PASUQGRKPNXSIY-GOEBONIOSA-N 1 3 340.475 1.692 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638803847 451695986 /nfs/dbraw/zinc/69/59/86/451695986.db2.gz QBZNWYFQEQSQFH-QZTJIDSGSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638803847 451695987 /nfs/dbraw/zinc/69/59/87/451695987.db2.gz QBZNWYFQEQSQFH-QZTJIDSGSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000632960963 451670031 /nfs/dbraw/zinc/67/00/31/451670031.db2.gz LQWRXYICZBLXTL-KBPBESRZSA-N 1 3 334.468 1.598 20 0 EDADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccco1 ZINC000637139401 451739364 /nfs/dbraw/zinc/73/93/64/451739364.db2.gz JYQAULOTGBSQBQ-RBSFLKMASA-N 1 3 338.452 1.075 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000638938957 451740347 /nfs/dbraw/zinc/74/03/47/451740347.db2.gz ZRBKZLPYZCYXJD-RDJZCZTQSA-N 1 3 330.476 1.779 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC000639041252 451756250 /nfs/dbraw/zinc/75/62/50/451756250.db2.gz GINPSUXOVSGAHX-IYARVYRRSA-N 1 3 344.503 1.893 20 0 EDADHO CN(C)CC1(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CCCC1 ZINC000639045605 451757152 /nfs/dbraw/zinc/75/71/52/451757152.db2.gz CGPXQGIAZJIRTF-UHFFFAOYSA-N 1 3 345.553 1.949 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641173939 451769264 /nfs/dbraw/zinc/76/92/64/451769264.db2.gz HCAVMXBWUQBBTF-SJORKVTESA-N 1 3 328.460 1.821 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000637262717 451773595 /nfs/dbraw/zinc/77/35/95/451773595.db2.gz BVYKJYWIVSCZQD-ARFHVFGLSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000637262717 451773597 /nfs/dbraw/zinc/77/35/97/451773597.db2.gz BVYKJYWIVSCZQD-ARFHVFGLSA-N 1 3 328.501 1.203 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214291 451783938 /nfs/dbraw/zinc/78/39/38/451783938.db2.gz CAZVWCOCNUQOLP-PKOBYXMFSA-N 1 3 343.475 1.313 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000649278621 451949087 /nfs/dbraw/zinc/94/90/87/451949087.db2.gz RBELKKVPDRYKCO-IEBWSBKVSA-N 1 3 331.460 1.708 20 0 EDADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000649272171 451944960 /nfs/dbraw/zinc/94/49/60/451944960.db2.gz RKXUFFPIOZNRSV-UHFFFAOYSA-N 1 3 330.476 1.260 20 0 EDADHO COc1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)N2CCCC2)cc1 ZINC000649277180 451947635 /nfs/dbraw/zinc/94/76/35/451947635.db2.gz KMUVXLMPNHFJEV-XDNAFOTISA-N 1 3 329.444 1.414 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2(C)CNC2)C1 ZINC000649288337 451962466 /nfs/dbraw/zinc/96/24/66/451962466.db2.gz LBKQLQOMMZEPGU-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2(C)CNC2)C1 ZINC000649288337 451962472 /nfs/dbraw/zinc/96/24/72/451962472.db2.gz LBKQLQOMMZEPGU-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO COCCC1(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292997 451968543 /nfs/dbraw/zinc/96/85/43/451968543.db2.gz SSRNPXVOYOWMQY-HOTGVXAUSA-N 1 3 325.497 1.772 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000649312346 451989103 /nfs/dbraw/zinc/98/91/03/451989103.db2.gz IZZAFVIIZGTELF-GXTWGEPZSA-N 1 3 346.431 1.470 20 0 EDADHO COCCC1(C(=O)N2CCCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC000649315250 451994832 /nfs/dbraw/zinc/99/48/32/451994832.db2.gz XXLGIQPVLLVSGS-UHFFFAOYSA-N 1 3 337.508 1.870 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342656 452023626 /nfs/dbraw/zinc/02/36/26/452023626.db2.gz HDOMSPGECIZNNJ-HZPDHXFCSA-N 1 3 337.414 1.964 20 0 EDADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649345220 452026155 /nfs/dbraw/zinc/02/61/55/452026155.db2.gz QHMXPGXBEZXLOS-YRXWBPOGSA-N 1 3 327.472 1.822 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347257 452029973 /nfs/dbraw/zinc/02/99/73/452029973.db2.gz MTYXXSPYUNEGAW-QWHCGFSZSA-N 1 3 339.386 1.587 20 0 EDADHO COCCC1(C(=O)N2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000649349322 452032400 /nfs/dbraw/zinc/03/24/00/452032400.db2.gz AUXHUAMBLCCGOS-UHFFFAOYSA-N 1 3 332.448 1.137 20 0 EDADHO CC[C@@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416863 452080237 /nfs/dbraw/zinc/08/02/37/452080237.db2.gz OEBDWBZOHFEYEV-IAGOWNOFSA-N 1 3 345.491 1.180 20 0 EDADHO C[N@@H+]1CCN(CCNCc2cnnn2-c2ccccc2)CC1(C)C ZINC000651794350 452081959 /nfs/dbraw/zinc/08/19/59/452081959.db2.gz VZBAJGIBORHQGF-UHFFFAOYSA-N 1 3 328.464 1.383 20 0 EDADHO C[N@H+]1CCN(CCNCc2cnnn2-c2ccccc2)CC1(C)C ZINC000651794350 452081963 /nfs/dbraw/zinc/08/19/63/452081963.db2.gz VZBAJGIBORHQGF-UHFFFAOYSA-N 1 3 328.464 1.383 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643301255 452124490 /nfs/dbraw/zinc/12/44/90/452124490.db2.gz OUOCGOKLROZWEI-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643301255 452124498 /nfs/dbraw/zinc/12/44/98/452124498.db2.gz OUOCGOKLROZWEI-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637967312 452213129 /nfs/dbraw/zinc/21/31/29/452213129.db2.gz OPILRDDVYOQQJK-UHFFFAOYSA-N 1 3 348.491 1.703 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654045067 452217603 /nfs/dbraw/zinc/21/76/03/452217603.db2.gz KMXSUPDKESMISN-JKSUJKDBSA-N 1 3 332.448 1.073 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)N(C)C)cc1 ZINC000659427013 452269182 /nfs/dbraw/zinc/26/91/82/452269182.db2.gz ITQNCXSTHADXDW-RMXPPQQLSA-N 1 3 330.476 1.984 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000665762648 452339168 /nfs/dbraw/zinc/33/91/68/452339168.db2.gz LLNIBDAARFNFSN-JKSUJKDBSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)C12CCCC2 ZINC000665762648 452339175 /nfs/dbraw/zinc/33/91/75/452339175.db2.gz LLNIBDAARFNFSN-JKSUJKDBSA-N 1 3 340.512 1.347 20 0 EDADHO COCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCC1 ZINC000665763615 452343816 /nfs/dbraw/zinc/34/38/16/452343816.db2.gz HERIUOVCQNJFPB-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO COCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCC1 ZINC000665763615 452343822 /nfs/dbraw/zinc/34/38/22/452343822.db2.gz HERIUOVCQNJFPB-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO CN(C)C1(CNC(=O)NCCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000652157454 452351281 /nfs/dbraw/zinc/35/12/81/452351281.db2.gz BVYYSCFXAYVXHG-UHFFFAOYSA-N 1 3 344.503 1.775 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000647624606 452360546 /nfs/dbraw/zinc/36/05/46/452360546.db2.gz HKQHKLHPGYDZAY-MJGOQNOKSA-N 1 3 337.508 1.699 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638063292 452360758 /nfs/dbraw/zinc/36/07/58/452360758.db2.gz LBGIVKRSMYZUQJ-FQEVSTJZSA-N 1 3 345.487 1.831 20 0 EDADHO COC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCCCN1 ZINC000638064017 452363173 /nfs/dbraw/zinc/36/31/73/452363173.db2.gz RFMHZHRPHSZURB-IBGZPJMESA-N 1 3 349.475 1.402 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652176948 452371973 /nfs/dbraw/zinc/37/19/73/452371973.db2.gz VYUIBZBWJHNKPP-KBAYOESNSA-N 1 3 348.491 1.512 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069445 452372559 /nfs/dbraw/zinc/37/25/59/452372559.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069445 452372562 /nfs/dbraw/zinc/37/25/62/452372562.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 1 3 332.492 1.294 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659520976 452384704 /nfs/dbraw/zinc/38/47/04/452384704.db2.gz AUKAFISBFLJJBM-GOSISDBHSA-N 1 3 347.507 1.966 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638074455 452386101 /nfs/dbraw/zinc/38/61/01/452386101.db2.gz BCGDMYOHQFJNOC-IBGZPJMESA-N 1 3 346.519 1.779 20 0 EDADHO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659549770 452407449 /nfs/dbraw/zinc/40/74/49/452407449.db2.gz SXQYBNDJYADAKH-CRAIPNDOSA-N 1 3 348.491 1.570 20 0 EDADHO CN(C(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000659567497 452423238 /nfs/dbraw/zinc/42/32/38/452423238.db2.gz WDHPIFACSIAVNX-UHFFFAOYSA-N 1 3 345.491 1.687 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567676 452424573 /nfs/dbraw/zinc/42/45/73/452424573.db2.gz XWVDXSADGCDHRH-KRWDZBQOSA-N 1 3 331.464 1.297 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659608052 452464205 /nfs/dbraw/zinc/46/42/05/452464205.db2.gz JSXNIONZAGDHAN-SFHVURJKSA-N 1 3 346.475 1.410 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659612811 452470154 /nfs/dbraw/zinc/47/01/54/452470154.db2.gz AZLSHCUKMMWBQJ-PPDQVPDSSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652312910 452487531 /nfs/dbraw/zinc/48/75/31/452487531.db2.gz FPGXIWSFQFUNFE-UHFFFAOYSA-N 1 3 333.480 1.545 20 0 EDADHO O=C(NC1CC1)c1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655699652 452521708 /nfs/dbraw/zinc/52/17/08/452521708.db2.gz HGXPDQOUXIXHRT-IBGZPJMESA-N 1 3 343.471 1.922 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347071 452521897 /nfs/dbraw/zinc/52/18/97/452521897.db2.gz QCPWROAYEGJPCH-JONQDZQNSA-N 1 3 325.497 1.898 20 0 EDADHO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cn1 ZINC000666090192 452579703 /nfs/dbraw/zinc/57/97/03/452579703.db2.gz MCUVSYXSKLVINN-WBVHZDCISA-N 1 3 332.492 1.779 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655911707 452667804 /nfs/dbraw/zinc/66/78/04/452667804.db2.gz LWPMGUHUOJOULV-XQQFMLRXSA-N 1 3 338.418 1.933 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655911707 452667814 /nfs/dbraw/zinc/66/78/14/452667814.db2.gz LWPMGUHUOJOULV-XQQFMLRXSA-N 1 3 338.418 1.933 20 0 EDADHO Cc1noc(C)c1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664031241 452730977 /nfs/dbraw/zinc/73/09/77/452730977.db2.gz AMPCMWVIISTGIN-ZDUSSCGKSA-N 1 3 339.484 1.405 20 0 EDADHO Cc1noc(C)c1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664031241 452730983 /nfs/dbraw/zinc/73/09/83/452730983.db2.gz AMPCMWVIISTGIN-ZDUSSCGKSA-N 1 3 339.484 1.405 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269429 452732911 /nfs/dbraw/zinc/73/29/11/452732911.db2.gz LWEOGGFGMHXSGI-LBPRGKRZSA-N 1 3 346.426 1.542 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccn(CC(F)F)n1 ZINC000666269429 452732919 /nfs/dbraw/zinc/73/29/19/452732919.db2.gz LWEOGGFGMHXSGI-LBPRGKRZSA-N 1 3 346.426 1.542 20 0 EDADHO Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000666282831 452742026 /nfs/dbraw/zinc/74/20/26/452742026.db2.gz MIHJVSVFPFDSIJ-AWEZNQCLSA-N 1 3 336.484 1.920 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2COC[C@H]2C1)c1ccccc1 ZINC000662029561 452782239 /nfs/dbraw/zinc/78/22/39/452782239.db2.gz BCQBNXNRXXWYCE-KZNAEPCWSA-N 1 3 331.460 1.374 20 0 EDADHO O=C([C@@H]1CNCCOC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648117660 452833075 /nfs/dbraw/zinc/83/30/75/452833075.db2.gz GTCKTWFSZKLKRQ-HZPDHXFCSA-N 1 3 349.500 1.455 20 0 EDADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000654720593 452835070 /nfs/dbraw/zinc/83/50/70/452835070.db2.gz XZAMXCXFJMBLSI-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CN1CCC(C[NH2+]Cc2cccc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000666407260 452847228 /nfs/dbraw/zinc/84/72/28/452847228.db2.gz QMKCCUPRQHKKRH-UHFFFAOYSA-N 1 3 343.475 1.449 20 0 EDADHO O[C@H]1CC[N@@H+](C2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886156 /nfs/dbraw/zinc/88/61/56/452886156.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 1 3 329.488 1.792 20 0 EDADHO O[C@H]1CC[N@H+](C2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886166 /nfs/dbraw/zinc/88/61/66/452886166.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 1 3 329.488 1.792 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658424421 452949303 /nfs/dbraw/zinc/94/93/03/452949303.db2.gz NQNNZPZYOFTNQU-AWEZNQCLSA-N 1 3 334.464 1.452 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C(C)(C)O)CC2)CC1 ZINC000654850276 452974198 /nfs/dbraw/zinc/97/41/98/452974198.db2.gz KECKJLRPRIIJEC-AWEZNQCLSA-N 1 3 325.497 1.458 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002753 452997323 /nfs/dbraw/zinc/99/73/23/452997323.db2.gz BPPCCBFCKSNWER-RTBURBONSA-N 1 3 344.503 1.705 20 0 EDADHO Cn1cc(N2CC[C@@H](N3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292273 453014181 /nfs/dbraw/zinc/01/41/81/453014181.db2.gz CVAHYHYKCWDOKI-NVXWUHKLSA-N 1 3 331.464 1.237 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294672 453017202 /nfs/dbraw/zinc/01/72/02/453017202.db2.gz RROPCYGAZZJICQ-AEFFLSMTSA-N 1 3 336.524 1.251 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315416 453032698 /nfs/dbraw/zinc/03/26/98/453032698.db2.gz FIFIHNASPHEJRN-DOTOQJQBSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315416 453032701 /nfs/dbraw/zinc/03/27/01/453032701.db2.gz FIFIHNASPHEJRN-DOTOQJQBSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315416 453032708 /nfs/dbraw/zinc/03/27/08/453032708.db2.gz FIFIHNASPHEJRN-DOTOQJQBSA-N 1 3 331.460 1.682 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C(=O)CCCC[NH3+])CC1 ZINC000646047765 453054279 /nfs/dbraw/zinc/05/42/79/453054279.db2.gz KLASALFEAZJVLK-UHFFFAOYSA-N 1 3 348.491 1.405 20 0 EDADHO c1c([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338256 453056788 /nfs/dbraw/zinc/05/67/88/453056788.db2.gz PLTYTXFJSIUOKZ-CVEARBPZSA-N 1 3 333.480 1.568 20 0 EDADHO c1c([C@@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338256 453056790 /nfs/dbraw/zinc/05/67/90/453056790.db2.gz PLTYTXFJSIUOKZ-CVEARBPZSA-N 1 3 333.480 1.568 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664407510 453067639 /nfs/dbraw/zinc/06/76/39/453067639.db2.gz GQCAKIVFDXQVSF-DOTOQJQBSA-N 1 3 338.496 1.101 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664407510 453067649 /nfs/dbraw/zinc/06/76/49/453067649.db2.gz GQCAKIVFDXQVSF-DOTOQJQBSA-N 1 3 338.496 1.101 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCN(c2ccncc2)CC1 ZINC000662355176 453069345 /nfs/dbraw/zinc/06/93/45/453069345.db2.gz JWHJMSBNFGSLJY-UHFFFAOYSA-N 1 3 341.415 1.499 20 0 EDADHO CC(C)[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1(CO)CC=CC1 ZINC000646085769 453094698 /nfs/dbraw/zinc/09/46/98/453094698.db2.gz QTACQPVXYZEBNI-IBGZPJMESA-N 1 3 349.519 1.672 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662394825 453106469 /nfs/dbraw/zinc/10/64/69/453106469.db2.gz OMMVWIZPTVOIRZ-KRWDZBQOSA-N 1 3 325.412 1.771 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000662416376 453125840 /nfs/dbraw/zinc/12/58/40/453125840.db2.gz CKGBTTHAQJYONG-DOTOQJQBSA-N 1 3 341.459 1.828 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)c1 ZINC000666770413 453134115 /nfs/dbraw/zinc/13/41/15/453134115.db2.gz ZHMJOQZNLGLGFR-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434401 453142898 /nfs/dbraw/zinc/14/28/98/453142898.db2.gz BBGWDKMOMFOSBT-HOCLYGCPSA-N 1 3 332.448 1.320 20 0 EDADHO CC[C@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434401 453142904 /nfs/dbraw/zinc/14/29/04/453142904.db2.gz BBGWDKMOMFOSBT-HOCLYGCPSA-N 1 3 332.448 1.320 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2c1CNC2 ZINC000662447323 453153345 /nfs/dbraw/zinc/15/33/45/453153345.db2.gz RLQRCWXUEUBPAC-UHFFFAOYSA-N 1 3 329.444 1.665 20 0 EDADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000660275660 453167386 /nfs/dbraw/zinc/16/73/86/453167386.db2.gz DIAXLTLUEWMHGV-MSOLQXFVSA-N 1 3 339.524 1.387 20 0 EDADHO COCCCN(C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662474707 453187510 /nfs/dbraw/zinc/18/75/10/453187510.db2.gz BFHANAYPKVSFHU-QGZVFWFLSA-N 1 3 333.476 1.763 20 0 EDADHO CCCN1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926185 453253208 /nfs/dbraw/zinc/25/32/08/453253208.db2.gz KZXFCUWKBMIMEU-CQSZACIVSA-N 1 3 334.468 1.756 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662552727 453282910 /nfs/dbraw/zinc/28/29/10/453282910.db2.gz RZZFXXFKBXCNPJ-KXBFYZLASA-N 1 3 341.455 1.989 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000662556784 453286237 /nfs/dbraw/zinc/28/62/37/453286237.db2.gz DJOMHWBDAYRELM-LBPRGKRZSA-N 1 3 330.436 1.880 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000666971791 453286962 /nfs/dbraw/zinc/28/69/62/453286962.db2.gz HGLGNUYXEKJHMZ-SJORKVTESA-N 1 3 336.480 1.119 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662565651 453292252 /nfs/dbraw/zinc/29/22/52/453292252.db2.gz FDZYWJYIKOSMDX-MJGOQNOKSA-N 1 3 341.455 1.989 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662567184 453294169 /nfs/dbraw/zinc/29/41/69/453294169.db2.gz IQXMRMRQAGXROT-CLCXKQKWSA-N 1 3 341.455 1.987 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c2)CC1 ZINC000653156285 453347542 /nfs/dbraw/zinc/34/75/42/453347542.db2.gz XBALYKVFBKXJKM-SFHVURJKSA-N 1 3 347.507 1.435 20 0 EDADHO COc1cccc([C@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)N(C)C)c1 ZINC000662663690 453378664 /nfs/dbraw/zinc/37/86/64/453378664.db2.gz PIJKMUVDTQUJGC-AWEZNQCLSA-N 1 3 346.431 1.910 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680847 453400700 /nfs/dbraw/zinc/40/07/00/453400700.db2.gz MDPVDIMLASDZDS-HUUCEWRRSA-N 1 3 334.468 1.197 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662680396 453400884 /nfs/dbraw/zinc/40/08/84/453400884.db2.gz TVFQIUDKLQXAAC-KZNAEPCWSA-N 1 3 331.460 1.303 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662710567 453434681 /nfs/dbraw/zinc/43/46/81/453434681.db2.gz HKXPSRGMGVLSHH-OWCLPIDISA-N 1 3 348.495 1.585 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662733457 453459532 /nfs/dbraw/zinc/45/95/32/453459532.db2.gz KMHXTEFNOBBNCC-CABCVRRESA-N 1 3 334.468 1.197 20 0 EDADHO CCn1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1=O ZINC000667229576 453495286 /nfs/dbraw/zinc/49/52/86/453495286.db2.gz ABSYGOIMUGQGHN-AWEZNQCLSA-N 1 3 337.468 1.262 20 0 EDADHO CCn1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1=O ZINC000667229576 453495297 /nfs/dbraw/zinc/49/52/97/453495297.db2.gz ABSYGOIMUGQGHN-AWEZNQCLSA-N 1 3 337.468 1.262 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662822084 453551569 /nfs/dbraw/zinc/55/15/69/453551569.db2.gz IASFETSYGQUDTC-QZTJIDSGSA-N 1 3 346.475 1.510 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000665049018 453553561 /nfs/dbraw/zinc/55/35/61/453553561.db2.gz ZOKYRBQWUGXKKW-SOUVJXGZSA-N 1 3 336.484 1.460 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000665049018 453553569 /nfs/dbraw/zinc/55/35/69/453553569.db2.gz ZOKYRBQWUGXKKW-SOUVJXGZSA-N 1 3 336.484 1.460 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857584 453573831 /nfs/dbraw/zinc/57/38/31/453573831.db2.gz BKKQASGKVBEFGW-WMZOPIPTSA-N 1 3 331.460 1.259 20 0 EDADHO CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C12CCC2 ZINC000665118989 453581348 /nfs/dbraw/zinc/58/13/48/453581348.db2.gz KERSEMQGYAAMTM-XHSDSOJGSA-N 1 3 340.512 1.515 20 0 EDADHO CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C12CCC2 ZINC000665118989 453581352 /nfs/dbraw/zinc/58/13/52/453581352.db2.gz KERSEMQGYAAMTM-XHSDSOJGSA-N 1 3 340.512 1.515 20 0 EDADHO CNCc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659020070 453583602 /nfs/dbraw/zinc/58/36/02/453583602.db2.gz UFCDEVHIDJJDKP-MRXNPFEDSA-N 1 3 334.464 1.981 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662886115 453588799 /nfs/dbraw/zinc/58/87/99/453588799.db2.gz BBBDXASAZIMLFO-MRXNPFEDSA-N 1 3 333.480 1.198 20 0 EDADHO C[NH+]1CCC(CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031761 453589096 /nfs/dbraw/zinc/58/90/96/453589096.db2.gz BULPEBVTGGVPGL-QGZVFWFLSA-N 1 3 332.448 1.811 20 0 EDADHO OCC1([C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2)CCOCC1 ZINC000665209449 453608496 /nfs/dbraw/zinc/60/84/96/453608496.db2.gz JFRBBKIKBHVSCL-OALUTQOASA-N 1 3 348.487 1.563 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659092444 453626352 /nfs/dbraw/zinc/62/63/52/453626352.db2.gz XBUCVPWOQODFJC-CQSZACIVSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659092444 453626356 /nfs/dbraw/zinc/62/63/56/453626356.db2.gz XBUCVPWOQODFJC-CQSZACIVSA-N 1 3 346.475 1.629 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886711 453632387 /nfs/dbraw/zinc/63/23/87/453632387.db2.gz HAUWYCGVDYBWJK-RDTXWAMCSA-N 1 3 334.508 1.890 20 0 EDADHO CNC(=O)CC1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665276058 453633049 /nfs/dbraw/zinc/63/30/49/453633049.db2.gz XQLSYUMGLHQTBP-YESZJQIVSA-N 1 3 337.508 1.820 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000665355088 453663692 /nfs/dbraw/zinc/66/36/92/453663692.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722762 /nfs/dbraw/zinc/72/27/62/453722762.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO CN1CCN(CCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722763 /nfs/dbraw/zinc/72/27/63/453722763.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3nc4c(s3)CNCC4)C2)C1 ZINC000663497214 453810521 /nfs/dbraw/zinc/81/05/21/453810521.db2.gz LVJBHPYFMLCWTF-GUTXKFCHSA-N 1 3 336.505 1.507 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746313 486740445 /nfs/dbraw/zinc/74/04/45/486740445.db2.gz KRBWHJXGBHXFPZ-TZMCWYRMSA-N 1 3 346.431 1.771 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000676682455 486841594 /nfs/dbraw/zinc/84/15/94/486841594.db2.gz AWPNCDVPVRRJAH-OAHLLOKOSA-N 1 3 333.480 1.858 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116510 486950421 /nfs/dbraw/zinc/95/04/21/486950421.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116510 486950425 /nfs/dbraw/zinc/95/04/25/486950425.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 1 3 326.485 1.127 20 0 EDADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C[C@H]1CCOC1 ZINC000681208994 486973134 /nfs/dbraw/zinc/97/31/34/486973134.db2.gz QUUUBBVEUZBXJR-AEFFLSMTSA-N 1 3 333.476 1.764 20 0 EDADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C[C@H]1CCOC1 ZINC000681208994 486973138 /nfs/dbraw/zinc/97/31/38/486973138.db2.gz QUUUBBVEUZBXJR-AEFFLSMTSA-N 1 3 333.476 1.764 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257034 487003903 /nfs/dbraw/zinc/00/39/03/487003903.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257034 487003910 /nfs/dbraw/zinc/00/39/10/487003910.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673530344 487049011 /nfs/dbraw/zinc/04/90/11/487049011.db2.gz HQQOZWCUTQXMKM-IBGZPJMESA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)c1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457602 487278140 /nfs/dbraw/zinc/27/81/40/487278140.db2.gz GIYNDZQBBHSDQA-HNNXBMFYSA-N 1 3 337.537 1.809 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000675189424 487386852 /nfs/dbraw/zinc/38/68/52/487386852.db2.gz YVSGCLBBCSFQFU-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679326354 487415370 /nfs/dbraw/zinc/41/53/70/487415370.db2.gz UZVFCTCTRSKFBZ-RDJZCZTQSA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326354 487415374 /nfs/dbraw/zinc/41/53/74/487415374.db2.gz UZVFCTCTRSKFBZ-RDJZCZTQSA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326354 487415377 /nfs/dbraw/zinc/41/53/77/487415377.db2.gz UZVFCTCTRSKFBZ-RDJZCZTQSA-N 1 3 339.505 1.426 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669513889 485478828 /nfs/dbraw/zinc/47/88/28/485478828.db2.gz MWGFCAOVYNKNFK-OAHLLOKOSA-N 1 3 326.485 1.317 20 0 EDADHO NC1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000669519622 485485181 /nfs/dbraw/zinc/48/51/81/485485181.db2.gz KQZHXIYHCLATGN-ROUUACIJSA-N 1 3 327.472 1.721 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000669530092 485505288 /nfs/dbraw/zinc/50/52/88/485505288.db2.gz PYGVNQNMQXZMRP-OAHLLOKOSA-N 1 3 326.485 1.176 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669573735 485605916 /nfs/dbraw/zinc/60/59/16/485605916.db2.gz CHSIWPFSBGATFR-ROUUACIJSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668665625 486015576 /nfs/dbraw/zinc/01/55/76/486015576.db2.gz CIIGTYWATNRZBD-RCCFBDPRSA-N 1 3 328.460 1.654 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000669386736 486021780 /nfs/dbraw/zinc/02/17/80/486021780.db2.gz BJRCXSRWMIWKAL-FGTMMUONSA-N 1 3 330.476 1.936 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000669389589 486025268 /nfs/dbraw/zinc/02/52/68/486025268.db2.gz ZUSWEYDASJTXPB-KGLIPLIRSA-N 1 3 326.510 1.337 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420207 486139786 /nfs/dbraw/zinc/13/97/86/486139786.db2.gz DOXXXEVPJFVVCR-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000088391981 491194758 /nfs/dbraw/zinc/19/47/58/491194758.db2.gz QJJAHPSXEPNMLI-UHFFFAOYSA-N 1 3 348.451 1.633 20 0 EDADHO CCC(=O)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000089144838 491196092 /nfs/dbraw/zinc/19/60/92/491196092.db2.gz QZNQZPUPGPXBIT-IYBDPMFKSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1n[nH]c2c1CNCC2 ZINC000188738623 527168106 /nfs/dbraw/zinc/16/81/06/527168106.db2.gz HGLOVKAGYQCEOX-UHFFFAOYSA-N 1 3 339.443 1.946 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000154327810 529145170 /nfs/dbraw/zinc/14/51/70/529145170.db2.gz PAWUJUVTMULLSH-MRXNPFEDSA-N 1 3 343.479 1.341 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CNC[C@@H](O)C(F)F)CC1 ZINC000344758010 534936152 /nfs/dbraw/zinc/93/61/52/534936152.db2.gz JAYNQTAHJXWDKE-MRXNPFEDSA-N 1 3 327.419 1.934 20 0 EDADHO CC1(C)Cc2cccc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623653 534954558 /nfs/dbraw/zinc/95/45/58/534954558.db2.gz GKIYDXVDFAUZLL-MRXNPFEDSA-N 1 3 331.460 1.687 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)CC1 ZINC000346870562 535264571 /nfs/dbraw/zinc/26/45/71/535264571.db2.gz WVIHBTVPCYIULO-DLBZAZTESA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)ccc2oc1=O ZINC000236990780 535933336 /nfs/dbraw/zinc/93/33/36/535933336.db2.gz LNLKFCNFXILOGT-NEPJUHHUSA-N 1 3 332.404 1.222 20 0 EDADHO CN(C[C@@H](O)Cn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247335999 536420715 /nfs/dbraw/zinc/42/07/15/536420715.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 1 3 328.460 1.698 20 0 EDADHO CN(C[C@@H](O)Cn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247335999 536420718 /nfs/dbraw/zinc/42/07/18/536420718.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 1 3 328.460 1.698 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245649768 536789527 /nfs/dbraw/zinc/78/95/27/536789527.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245649768 536789533 /nfs/dbraw/zinc/78/95/33/536789533.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000760863253 580040054 /nfs/dbraw/zinc/04/00/54/580040054.db2.gz QOYYNLVXUZOHAQ-UHFFFAOYSA-N 1 3 346.519 1.845 20 0 EDADHO Cc1ccccc1[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000764479206 580121376 /nfs/dbraw/zinc/12/13/76/580121376.db2.gz MHWJYQLMVMGXRU-YSIASYRMSA-N 1 3 331.504 1.986 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000783641522 580603219 /nfs/dbraw/zinc/60/32/19/580603219.db2.gz KAJLOQZUGMAFAU-HDICACEKSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NC3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000783641522 580603220 /nfs/dbraw/zinc/60/32/20/580603220.db2.gz KAJLOQZUGMAFAU-HDICACEKSA-N 1 3 342.487 1.854 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=S)NCCC[NH+](C)C)cc1 ZINC000789395295 580744409 /nfs/dbraw/zinc/74/44/09/580744409.db2.gz PHHOFGUYKDXZEA-INIZCTEOSA-N 1 3 338.521 1.714 20 0 EDADHO CCN1CCN(CCCC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795900788 580940649 /nfs/dbraw/zinc/94/06/49/580940649.db2.gz XNUPTPHLMRRDHJ-UHFFFAOYSA-N 1 3 339.524 1.927 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000891864098 590661162 /nfs/dbraw/zinc/66/11/62/590661162.db2.gz GIUBXFLSLOIBLZ-IKMSWONJSA-N 1 3 348.413 1.923 20 0 EDADHO CSC1(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)CCN(C)CC1 ZINC000891904371 590680256 /nfs/dbraw/zinc/68/02/56/590680256.db2.gz AMKODILQDIFUOZ-CQSZACIVSA-N 1 3 328.526 1.727 20 0 EDADHO CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)N(C)C)cc1 ZINC000891922155 590689413 /nfs/dbraw/zinc/68/94/13/590689413.db2.gz GOPADTFYMMSIEX-OFQRWUPVSA-N 1 3 334.489 1.767 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000893223690 590719634 /nfs/dbraw/zinc/71/96/34/590719634.db2.gz LKBNQMQEVQVHGP-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892188476 590855491 /nfs/dbraw/zinc/85/54/91/590855491.db2.gz RGNBVCPJVHYSEP-YYIAUSFCSA-N 1 3 343.475 1.690 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCc3ccccc3OCC[NH+](C)C)[C@H]2C1 ZINC000892479821 591042010 /nfs/dbraw/zinc/04/20/10/591042010.db2.gz PNJQUEOBTHVRLO-SJORKVTESA-N 1 3 346.475 1.473 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000891356855 591057600 /nfs/dbraw/zinc/05/76/00/591057600.db2.gz UDOCPTUCJNWCGF-QGZVFWFLSA-N 1 3 339.528 1.188 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530766 591061110 /nfs/dbraw/zinc/06/11/10/591061110.db2.gz XDCBFOPOYLWXCL-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000891455554 591077833 /nfs/dbraw/zinc/07/78/33/591077833.db2.gz DCOWRCFDOFUSIF-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCCN(C)C1 ZINC000893913039 591135574 /nfs/dbraw/zinc/13/55/74/591135574.db2.gz AQEFVJBWBVUTKR-MRXNPFEDSA-N 1 3 349.479 1.258 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892786914 591176816 /nfs/dbraw/zinc/17/68/16/591176816.db2.gz WTSROLQGXOXAKJ-LSDHHAIUSA-N 1 3 338.402 1.245 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000892811446 591189413 /nfs/dbraw/zinc/18/94/13/591189413.db2.gz OPVONDROVWDLEM-OALUTQOASA-N 1 3 342.487 1.971 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800928 591228264 /nfs/dbraw/zinc/22/82/64/591228264.db2.gz XLKUPWRCPOMNEU-MJKGWSOKSA-N 1 3 342.487 1.758 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989360 591319601 /nfs/dbraw/zinc/31/96/01/591319601.db2.gz AGZVMWAFRGSCDC-YRXWBPOGSA-N 1 3 343.471 1.659 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989360 591319602 /nfs/dbraw/zinc/31/96/02/591319602.db2.gz AGZVMWAFRGSCDC-YRXWBPOGSA-N 1 3 343.471 1.659 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCN3C(C)(C)C)CC2)CC1 ZINC000896004864 591321537 /nfs/dbraw/zinc/32/15/37/591321537.db2.gz QZYLVHDQCLLKIT-QGZVFWFLSA-N 1 3 336.524 1.534 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2CCC[C@H]2C)C1 ZINC000897482568 591488962 /nfs/dbraw/zinc/48/89/62/591488962.db2.gz BNKPNOQZVIKPEJ-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC[NH+](C)CC1 ZINC000894953270 591498707 /nfs/dbraw/zinc/49/87/07/591498707.db2.gz GOZCRESIRXHVSU-KGLIPLIRSA-N 1 3 326.510 1.159 20 0 EDADHO COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CN(C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083913 591575351 /nfs/dbraw/zinc/57/53/51/591575351.db2.gz CJVYBYBWNPQBCK-QXSJWSMHSA-N 1 3 338.398 1.976 20 0 EDADHO O=c1ccn(CCC[NH2+]C2CCN(C3CCCCC3)CC2)c(=O)[nH]1 ZINC000898332302 591874922 /nfs/dbraw/zinc/87/49/22/591874922.db2.gz KESKKQJTECMOTP-UHFFFAOYSA-N 1 3 334.464 1.726 20 0 EDADHO O=c1ccn(CCCNC2CC[NH+](C3CCCCC3)CC2)c(=O)[nH]1 ZINC000898332302 591874924 /nfs/dbraw/zinc/87/49/24/591874924.db2.gz KESKKQJTECMOTP-UHFFFAOYSA-N 1 3 334.464 1.726 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000900106124 591909089 /nfs/dbraw/zinc/90/90/89/591909089.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 1 3 325.497 1.604 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000900106124 591909092 /nfs/dbraw/zinc/90/90/92/591909092.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946476 /nfs/dbraw/zinc/94/64/76/591946476.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946478 /nfs/dbraw/zinc/94/64/78/591946478.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 1 3 336.524 1.536 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)c1 ZINC000900252235 591960874 /nfs/dbraw/zinc/96/08/74/591960874.db2.gz QLJGZCHJZUWAKD-FQEVSTJZSA-N 1 3 347.503 1.991 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[NH2+]CC(C)(C)C2)(N2CCOCC2)C1 ZINC000902378290 591984277 /nfs/dbraw/zinc/98/42/77/591984277.db2.gz YIDLIBNAFTXKEJ-LRYGQEGESA-N 1 3 339.524 1.624 20 0 EDADHO [NH3+]CCCC[C@H](NCCN1CCNC1=O)c1ccc(F)cc1F ZINC000902402921 591990917 /nfs/dbraw/zinc/99/09/17/591990917.db2.gz PKVVXTGHWGASHR-HNNXBMFYSA-N 1 3 326.391 1.750 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000900364015 591997085 /nfs/dbraw/zinc/99/70/85/591997085.db2.gz KPVVXAYFVCYFGA-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900536696 592050400 /nfs/dbraw/zinc/05/04/00/592050400.db2.gz ADIOQKUFCJLVIL-IBGZPJMESA-N 1 3 349.475 1.090 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900536696 592050403 /nfs/dbraw/zinc/05/04/03/592050403.db2.gz ADIOQKUFCJLVIL-IBGZPJMESA-N 1 3 349.475 1.090 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[C@@H]2CCCCN12 ZINC000900587825 592060481 /nfs/dbraw/zinc/06/04/81/592060481.db2.gz LIXNYBNTQHYGAU-DLBZAZTESA-N 1 3 335.492 1.765 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000900708286 592100911 /nfs/dbraw/zinc/10/09/11/592100911.db2.gz IDQDGNZOEMABPK-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000900708286 592100914 /nfs/dbraw/zinc/10/09/14/592100914.db2.gz IDQDGNZOEMABPK-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@@H]21 ZINC000903242511 592143061 /nfs/dbraw/zinc/14/30/61/592143061.db2.gz SATJFJLACXXTCE-ILXRZTDVSA-N 1 3 334.464 1.666 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900871019 592152092 /nfs/dbraw/zinc/15/20/92/592152092.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900871019 592152095 /nfs/dbraw/zinc/15/20/95/592152095.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO COc1cccc(CC(=O)N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903433301 592168708 /nfs/dbraw/zinc/16/87/08/592168708.db2.gz ZGVGCUCUDGMPGA-SJORKVTESA-N 1 3 331.460 1.509 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439583 592169814 /nfs/dbraw/zinc/16/98/14/592169814.db2.gz LFRBINHZKWSITM-RDBSUJKOSA-N 1 3 335.414 1.965 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903505605 592181732 /nfs/dbraw/zinc/18/17/32/592181732.db2.gz DVECCZGGZDETSJ-QXSJWSMHSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)O1 ZINC000903505605 592181737 /nfs/dbraw/zinc/18/17/37/592181737.db2.gz DVECCZGGZDETSJ-QXSJWSMHSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)O1 ZINC000903505605 592181739 /nfs/dbraw/zinc/18/17/39/592181739.db2.gz DVECCZGGZDETSJ-QXSJWSMHSA-N 1 3 347.425 1.997 20 0 EDADHO C[C@@H]1CN(CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1CC[NH3+] ZINC000903496756 592187552 /nfs/dbraw/zinc/18/75/52/592187552.db2.gz BVLSGPYJBBUGOQ-ZIAGYGMSSA-N 1 3 326.462 1.386 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCN2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903497048 592188255 /nfs/dbraw/zinc/18/82/55/592188255.db2.gz OLMFGZZMOQRSPW-NVXWUHKLSA-N 1 3 330.476 1.082 20 0 EDADHO CN(C)c1ccccc1CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903525195 592197902 /nfs/dbraw/zinc/19/79/02/592197902.db2.gz CRCYEPMBXFSLTF-APWZRJJASA-N 1 3 330.476 1.489 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CN1CCNC[C@@H]1c1cccnc1 ZINC000904334576 592233492 /nfs/dbraw/zinc/23/34/92/592233492.db2.gz ZRQDTIJHBVULPJ-QGZVFWFLSA-N 1 3 327.432 1.231 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657423 592238841 /nfs/dbraw/zinc/23/88/41/592238841.db2.gz YQRMVIFEPGCRNZ-OAHLLOKOSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657423 592238843 /nfs/dbraw/zinc/23/88/43/592238843.db2.gz YQRMVIFEPGCRNZ-OAHLLOKOSA-N 1 3 344.459 1.274 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000904371026 592240393 /nfs/dbraw/zinc/24/03/93/592240393.db2.gz HNUZPZOHXHZWKJ-INIZCTEOSA-N 1 3 343.431 1.669 20 0 EDADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000904371026 592240396 /nfs/dbraw/zinc/24/03/96/592240396.db2.gz HNUZPZOHXHZWKJ-INIZCTEOSA-N 1 3 343.431 1.669 20 0 EDADHO COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000904371026 592240402 /nfs/dbraw/zinc/24/04/02/592240402.db2.gz HNUZPZOHXHZWKJ-INIZCTEOSA-N 1 3 343.431 1.669 20 0 EDADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730782 592287546 /nfs/dbraw/zinc/28/75/46/592287546.db2.gz ZEBZBHPRFCWTIJ-UYAOXDASSA-N 1 3 345.487 1.979 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906718359 592288258 /nfs/dbraw/zinc/28/82/58/592288258.db2.gz VSNLUETYUMOTPL-SQWLQELKSA-N 1 3 330.432 1.004 20 0 EDADHO NCc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000904662225 592308511 /nfs/dbraw/zinc/30/85/11/592308511.db2.gz YJKOXEGZZCEXLW-CQSZACIVSA-N 1 3 332.448 1.768 20 0 EDADHO NC(=O)c1cn[nH]c1[C@@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779826 592320411 /nfs/dbraw/zinc/32/04/11/592320411.db2.gz BPWIWWBRRQIGGM-HIFRSBDPSA-N 1 3 347.463 1.194 20 0 EDADHO COc1ccccc1N1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830091 592336473 /nfs/dbraw/zinc/33/64/73/592336473.db2.gz SGCLEKNQUCUJKB-MRXNPFEDSA-N 1 3 331.460 1.586 20 0 EDADHO Cc1nc(CN2CCCN(Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000903873806 592355802 /nfs/dbraw/zinc/35/58/02/592355802.db2.gz XZLKACCEBKLNCV-UHFFFAOYSA-N 1 3 341.459 1.732 20 0 EDADHO Cc1nn(C)c(C)c1CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892411 592365806 /nfs/dbraw/zinc/36/58/06/592365806.db2.gz RTFPEXKZXSORTA-AYHJJNSGSA-N 1 3 331.508 1.685 20 0 EDADHO COc1ccc(OCCNC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903920712 592376900 /nfs/dbraw/zinc/37/69/00/592376900.db2.gz LBTFHOKEJHMVNX-OAHLLOKOSA-N 1 3 332.448 1.523 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931974 592383796 /nfs/dbraw/zinc/38/37/96/592383796.db2.gz KOWBITOIQFDWQB-RHSMWYFYSA-N 1 3 343.475 1.212 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931974 592383799 /nfs/dbraw/zinc/38/37/99/592383799.db2.gz KOWBITOIQFDWQB-RHSMWYFYSA-N 1 3 343.475 1.212 20 0 EDADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(NC2=NCCC2)cc1 ZINC000908208360 592385254 /nfs/dbraw/zinc/38/52/54/592385254.db2.gz PRIDRJVBRNRJCM-MRXNPFEDSA-N 1 3 330.432 1.477 20 0 EDADHO CCOC(=O)c1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)o1 ZINC000903977155 592399388 /nfs/dbraw/zinc/39/93/88/592399388.db2.gz KQYRZATZHDRMAV-JKDFXYPNSA-N 1 3 336.388 1.169 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905122253 592417048 /nfs/dbraw/zinc/41/70/48/592417048.db2.gz LJBAODLPHWPIJY-UXPWSPDFSA-N 1 3 348.487 1.704 20 0 EDADHO CN(C)CCOc1cccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000904092058 592429861 /nfs/dbraw/zinc/42/98/61/592429861.db2.gz CHQHULWMESXDHX-PMPSAXMXSA-N 1 3 328.416 2.000 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2)CC1 ZINC000904282039 592467961 /nfs/dbraw/zinc/46/79/61/592467961.db2.gz PAWGKISBGZRLCV-KOMQPUFPSA-N 1 3 331.464 1.687 20 0 EDADHO c1cc(-c2nc(CC3CC[NH2+]CC3)no2)cc(N2CCNCC2)n1 ZINC000905309534 592500064 /nfs/dbraw/zinc/50/00/64/592500064.db2.gz XRVDUHPSRKOYGQ-UHFFFAOYSA-N 1 3 328.420 1.083 20 0 EDADHO CC(C)(C)OC(=O)NC(C)(C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000905420694 592525904 /nfs/dbraw/zinc/52/59/04/592525904.db2.gz RYZGUIHNVHXSAA-CQSZACIVSA-N 1 3 329.485 1.726 20 0 EDADHO CON1CC[C@H]([NH2+]CC2CCN(C[C@H](O)c3ccccc3)CC2)C1=O ZINC000905761027 592638811 /nfs/dbraw/zinc/63/88/11/592638811.db2.gz WTNYNXXQBDBFQZ-ROUUACIJSA-N 1 3 347.459 1.184 20 0 EDADHO CON1CC[C@H](NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000905761027 592638813 /nfs/dbraw/zinc/63/88/13/592638813.db2.gz WTNYNXXQBDBFQZ-ROUUACIJSA-N 1 3 347.459 1.184 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)N(C)C ZINC000907632835 592734426 /nfs/dbraw/zinc/73/44/26/592734426.db2.gz AFMGLYVYEZLPMS-UXPWSPDFSA-N 1 3 347.503 1.949 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)N(C)C ZINC000907632835 592734428 /nfs/dbraw/zinc/73/44/28/592734428.db2.gz AFMGLYVYEZLPMS-UXPWSPDFSA-N 1 3 347.503 1.949 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000907922460 592846576 /nfs/dbraw/zinc/84/65/76/592846576.db2.gz XNASINMDSDPZKT-RDJZCZTQSA-N 1 3 344.459 1.756 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000907922460 592846579 /nfs/dbraw/zinc/84/65/79/592846579.db2.gz XNASINMDSDPZKT-RDJZCZTQSA-N 1 3 344.459 1.756 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@H](N)C(=O)N3)c1 ZINC000911692712 592983194 /nfs/dbraw/zinc/98/31/94/592983194.db2.gz UUHWTSCKHFTYKA-INIZCTEOSA-N 1 3 338.411 1.870 20 0 EDADHO N[C@H](CC(=O)N[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911698180 592984538 /nfs/dbraw/zinc/98/45/38/592984538.db2.gz GQYWEKSQJQESHI-STQMWFEESA-N 1 3 326.238 1.187 20 0 EDADHO C[C@@]1(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CN2CCC1CC2 ZINC000912373661 593091228 /nfs/dbraw/zinc/09/12/28/593091228.db2.gz GAVHPJOSNQMZLR-FUHWJXTLSA-N 1 3 337.533 1.804 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000808156144 593229675 /nfs/dbraw/zinc/22/96/75/593229675.db2.gz BCEZKOOFBNCTAS-MOPGFXCFSA-N 1 3 345.487 1.810 20 0 EDADHO C[C@H]1CN(CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548919 593417648 /nfs/dbraw/zinc/41/76/48/593417648.db2.gz KTQNPKVLPFLYRT-HNNXBMFYSA-N 1 3 344.569 1.539 20 0 EDADHO N[C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CCC1 ZINC000817859005 593641832 /nfs/dbraw/zinc/64/18/32/593641832.db2.gz LAEDRQGAQMIGMU-MRXNPFEDSA-N 1 3 331.416 1.661 20 0 EDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897822 593647174 /nfs/dbraw/zinc/64/71/74/593647174.db2.gz BOEVPGWXHZQDSY-ZYHUDNBSSA-N 1 3 343.415 1.278 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nnn[n-]2)c1 ZINC000824584784 594042839 /nfs/dbraw/zinc/04/28/39/594042839.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nnn[n-]2)c1 ZINC000824584784 594042841 /nfs/dbraw/zinc/04/28/41/594042841.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000824584784 594042843 /nfs/dbraw/zinc/04/28/43/594042843.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000824584784 594042845 /nfs/dbraw/zinc/04/28/45/594042845.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO c1ccc(CN2CCC(c3nc(N4CC[NH2+]CC4)no3)CC2)cc1 ZINC000823314817 594184168 /nfs/dbraw/zinc/18/41/68/594184168.db2.gz GEVWROKDPOJIMZ-UHFFFAOYSA-N 1 3 327.432 1.859 20 0 EDADHO CN1CCC[C@H]1CNC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000827626275 594247264 /nfs/dbraw/zinc/24/72/64/594247264.db2.gz UYXVRUNVNLUNRP-KRWDZBQOSA-N 1 3 333.476 1.770 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080448 594636158 /nfs/dbraw/zinc/63/61/58/594636158.db2.gz CAUQLLJBUSTJSM-SFHVURJKSA-N 1 3 330.476 1.178 20 0 EDADHO CCOc1cc(CNCCN2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000841045549 594843712 /nfs/dbraw/zinc/84/37/12/594843712.db2.gz XYGHCFWTGVZMHO-UHFFFAOYSA-N 1 3 335.448 1.396 20 0 EDADHO CS[C@@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@@H]1N(C)C ZINC000841281434 594880783 /nfs/dbraw/zinc/88/07/83/594880783.db2.gz GCBXTKHCAITXQU-LSDHHAIUSA-N 1 3 338.477 1.533 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841310633 594883755 /nfs/dbraw/zinc/88/37/55/594883755.db2.gz GPZKCZQDFXGKML-CVEARBPZSA-N 1 3 332.448 1.781 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000845710424 595047374 /nfs/dbraw/zinc/04/73/74/595047374.db2.gz ZHPKJRKUBAOPGD-ZDUSSCGKSA-N 1 3 342.484 1.042 20 0 EDADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1CNCc2ccccc21 ZINC000843459877 595118216 /nfs/dbraw/zinc/11/82/16/595118216.db2.gz RUQGTANMCPIHRZ-KRWDZBQOSA-N 1 3 325.416 1.633 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057061 595276226 /nfs/dbraw/zinc/27/62/26/595276226.db2.gz FWUVIICZEJKYSK-VQIMIIECSA-N 1 3 343.471 1.797 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000844178205 595293676 /nfs/dbraw/zinc/29/36/76/595293676.db2.gz WJJLBYPRVBLAAT-RBUKOAKNSA-N 1 3 345.487 1.926 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186054 595296080 /nfs/dbraw/zinc/29/60/80/595296080.db2.gz FGEPNDTZKQYXGR-BHIYHBOVSA-N 1 3 345.487 1.782 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOCCCOC)CC2)CC1 ZINC000848069564 595314887 /nfs/dbraw/zinc/31/48/87/595314887.db2.gz WSSQZTPNMRBKOT-UHFFFAOYSA-N 1 3 327.469 1.267 20 0 EDADHO OC[C@H](C[C@H](O)c1ccccc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848535523 595403446 /nfs/dbraw/zinc/40/34/46/595403446.db2.gz DEIRWUUDSZYCOU-ZCNNSNEGSA-N 1 3 348.487 1.704 20 0 EDADHO [NH2+]=C(NCCCn1ccnn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849079145 595479224 /nfs/dbraw/zinc/47/92/24/595479224.db2.gz ZFAUZVVORLAPGH-UHFFFAOYSA-N 1 3 341.463 1.447 20 0 EDADHO Cn1cncc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849084614 595479548 /nfs/dbraw/zinc/47/95/48/595479548.db2.gz BOHWUNSMLZHTAN-UHFFFAOYSA-N 1 3 326.448 1.699 20 0 EDADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754280 595526645 /nfs/dbraw/zinc/52/66/45/595526645.db2.gz SATMZWGZHXGIIY-FUHWJXTLSA-N 1 3 335.492 1.478 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774221 595537463 /nfs/dbraw/zinc/53/74/63/595537463.db2.gz QNNNKFCOIKYQCI-QZTJIDSGSA-N 1 3 345.487 1.954 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NCCN2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486028 595548014 /nfs/dbraw/zinc/54/80/14/595548014.db2.gz DOMKBQWYWKPQQF-ROUUACIJSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NCCN2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486028 595548016 /nfs/dbraw/zinc/54/80/16/595548016.db2.gz DOMKBQWYWKPQQF-ROUUACIJSA-N 1 3 347.507 1.446 20 0 EDADHO CC[N@H+](CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560497 /nfs/dbraw/zinc/56/04/97/595560497.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 1 3 335.496 1.302 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560500 /nfs/dbraw/zinc/56/05/00/595560500.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 1 3 335.496 1.302 20 0 EDADHO COc1ccc([C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852854861 595577348 /nfs/dbraw/zinc/57/73/48/595577348.db2.gz RPLPDPKPOVBQOZ-WBVHZDCISA-N 1 3 346.431 1.052 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852858278 595579945 /nfs/dbraw/zinc/57/99/45/595579945.db2.gz WUKTWTQECWADQZ-PBHICJAKSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852858278 595579949 /nfs/dbraw/zinc/57/99/49/595579949.db2.gz WUKTWTQECWADQZ-PBHICJAKSA-N 1 3 344.459 1.781 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000849608592 595593843 /nfs/dbraw/zinc/59/38/43/595593843.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 1 3 347.507 1.444 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000849608592 595593845 /nfs/dbraw/zinc/59/38/45/595593845.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 1 3 347.507 1.444 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852888407 595600519 /nfs/dbraw/zinc/60/05/19/595600519.db2.gz JVGCEZPALJZMFD-DOTOQJQBSA-N 1 3 346.431 1.052 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000853683614 595854309 /nfs/dbraw/zinc/85/43/09/595854309.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000853683614 595854310 /nfs/dbraw/zinc/85/43/10/595854310.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861467143 595995526 /nfs/dbraw/zinc/99/55/26/595995526.db2.gz ZJWSAHLPDSXDHJ-UHFFFAOYSA-N 1 3 349.435 1.706 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COC1CCOCC1 ZINC000859214742 596006116 /nfs/dbraw/zinc/00/61/16/596006116.db2.gz MXZZUMLLVTWRCZ-GOSISDBHSA-N 1 3 336.476 1.737 20 0 EDADHO CCC[N@H+](C)CC(=O)N1CC[C@@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856635426 596041143 /nfs/dbraw/zinc/04/11/43/596041143.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 1 3 348.491 1.855 20 0 EDADHO CCC[N@@H+](C)CC(=O)N1CC[C@@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856635426 596041144 /nfs/dbraw/zinc/04/11/44/596041144.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 1 3 348.491 1.855 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000861602056 596043848 /nfs/dbraw/zinc/04/38/48/596043848.db2.gz FJQQJFFGNAHBCY-CQSZACIVSA-N 1 3 334.464 1.132 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000857110936 596159807 /nfs/dbraw/zinc/15/98/07/596159807.db2.gz XGSXAHYDANLVDC-MAUKXSAKSA-N 1 3 334.464 1.002 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868626915 596251055 /nfs/dbraw/zinc/25/10/55/596251055.db2.gz OZXDMMLNIMNNQG-MRXNPFEDSA-N 1 3 339.528 1.137 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868626915 596251058 /nfs/dbraw/zinc/25/10/58/596251058.db2.gz OZXDMMLNIMNNQG-MRXNPFEDSA-N 1 3 339.528 1.137 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN([C@@H]2CCCc3ccccc32)C1 ZINC000866708051 596303438 /nfs/dbraw/zinc/30/34/38/596303438.db2.gz CNDCPBBFHGNZOY-XOYOTBSWSA-N 1 3 327.428 1.931 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090020 596470615 /nfs/dbraw/zinc/47/06/15/596470615.db2.gz VSUGOBKOSQRAML-AEFFLSMTSA-N 1 3 349.523 1.702 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090020 596470616 /nfs/dbraw/zinc/47/06/16/596470616.db2.gz VSUGOBKOSQRAML-AEFFLSMTSA-N 1 3 349.523 1.702 20 0 EDADHO CC(C)(O)CN1CCc2c(cccc2NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863559403 596618332 /nfs/dbraw/zinc/61/83/32/596618332.db2.gz MZMJQUPWOVKNMG-QGZVFWFLSA-N 1 3 347.503 1.684 20 0 EDADHO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCCNC4)CC[C@H]21 ZINC000868171512 596710048 /nfs/dbraw/zinc/71/00/48/596710048.db2.gz AIEZUSXUESDCFC-GOEBONIOSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCCNC4)CC[C@H]21 ZINC000868171512 596710049 /nfs/dbraw/zinc/71/00/49/596710049.db2.gz AIEZUSXUESDCFC-GOEBONIOSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2nc(Br)c[nH]2)CC1 ZINC000864094129 596753429 /nfs/dbraw/zinc/75/34/29/596753429.db2.gz GPUXZYWQCFEQSF-UHFFFAOYSA-N 1 3 330.274 1.289 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2nc(Br)c[nH]2)CC1 ZINC000864094129 596753432 /nfs/dbraw/zinc/75/34/32/596753432.db2.gz GPUXZYWQCFEQSF-UHFFFAOYSA-N 1 3 330.274 1.289 20 0 EDADHO CC(C)N1CCN(CCCN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872152998 596814191 /nfs/dbraw/zinc/81/41/91/596814191.db2.gz XSYMBWBKOLMTIF-GJZGRUSLSA-N 1 3 336.446 1.472 20 0 EDADHO CC(C)(O)C[C@H](O)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000872201290 596832930 /nfs/dbraw/zinc/83/29/30/596832930.db2.gz VMXJEVSVTPYDGG-IBGZPJMESA-N 1 3 349.519 1.700 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226971 597234169 /nfs/dbraw/zinc/23/41/69/597234169.db2.gz FIVJRIONEOWQRQ-OXJNMPFZSA-N 1 3 327.472 1.774 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226971 597234171 /nfs/dbraw/zinc/23/41/71/597234171.db2.gz FIVJRIONEOWQRQ-OXJNMPFZSA-N 1 3 327.472 1.774 20 0 EDADHO NCc1cn(-c2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239437 /nfs/dbraw/zinc/23/94/37/597239437.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 1 3 326.448 1.442 20 0 EDADHO NCc1cn(-c2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239439 /nfs/dbraw/zinc/23/94/39/597239439.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 1 3 326.448 1.442 20 0 EDADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000873265095 597243225 /nfs/dbraw/zinc/24/32/25/597243225.db2.gz GPZHSQCQPFAWEB-VBSBHUPXSA-N 1 3 347.503 1.538 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)n2)CC1 ZINC000873322988 597256326 /nfs/dbraw/zinc/25/63/26/597256326.db2.gz KHWQYGVGQDMPNL-PBHICJAKSA-N 1 3 332.452 1.556 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2NCCc3ccccc32)cn1 ZINC000876845599 597357111 /nfs/dbraw/zinc/35/71/11/597357111.db2.gz FQPPXENJZMPVAD-QGZVFWFLSA-N 1 3 327.432 1.062 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875266395 597359487 /nfs/dbraw/zinc/35/94/87/597359487.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875266395 597359489 /nfs/dbraw/zinc/35/94/89/597359489.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C(C)(C)C ZINC000875302140 597376027 /nfs/dbraw/zinc/37/60/27/597376027.db2.gz LTKVKVUYPUYZKC-LSDHHAIUSA-N 1 3 342.528 1.497 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000877450904 597517410 /nfs/dbraw/zinc/51/74/10/597517410.db2.gz HVDLYAKOSOEVHF-OAGGEKHMSA-N 1 3 331.464 1.425 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@@H+]1C ZINC000877627284 597542556 /nfs/dbraw/zinc/54/25/56/597542556.db2.gz NIMOOXJBLVYKNT-RBSFLKMASA-N 1 3 339.480 1.837 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC[N@H+]1C ZINC000877627284 597542557 /nfs/dbraw/zinc/54/25/57/597542557.db2.gz NIMOOXJBLVYKNT-RBSFLKMASA-N 1 3 339.480 1.837 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCC2)[C@H](C)C1 ZINC000878447078 597602587 /nfs/dbraw/zinc/60/25/87/597602587.db2.gz KWTKTYXXTPSYGH-SQNIBIBYSA-N 1 3 342.524 1.769 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCC2)[C@H](C)C1 ZINC000878447078 597602588 /nfs/dbraw/zinc/60/25/88/597602588.db2.gz KWTKTYXXTPSYGH-SQNIBIBYSA-N 1 3 342.524 1.769 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447071 597602697 /nfs/dbraw/zinc/60/26/97/597602697.db2.gz KWTKTYXXTPSYGH-BZSNNMDCSA-N 1 3 342.524 1.769 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447071 597602698 /nfs/dbraw/zinc/60/26/98/597602698.db2.gz KWTKTYXXTPSYGH-BZSNNMDCSA-N 1 3 342.524 1.769 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416495 597739198 /nfs/dbraw/zinc/73/91/98/597739198.db2.gz WHPTWKXKTHYULA-GJZGRUSLSA-N 1 3 329.448 1.538 20 0 EDADHO NC(=O)C1([NH+]2CCCCC2)CCN(CCCc2ccncc2)CC1 ZINC000880253834 597884109 /nfs/dbraw/zinc/88/41/09/597884109.db2.gz FKHKAKPLSVELCU-UHFFFAOYSA-N 1 3 330.476 1.820 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000738393003 598713590 /nfs/dbraw/zinc/71/35/90/598713590.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000738393003 598713592 /nfs/dbraw/zinc/71/35/92/598713592.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738393003 598713594 /nfs/dbraw/zinc/71/35/94/598713594.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000738393003 598713596 /nfs/dbraw/zinc/71/35/96/598713596.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914115847 695121870 /nfs/dbraw/zinc/12/18/70/695121870.db2.gz HIMLABPHTFETHM-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914115847 695121874 /nfs/dbraw/zinc/12/18/74/695121874.db2.gz HIMLABPHTFETHM-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CC(C)=CCN1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991365 696484774 /nfs/dbraw/zinc/48/47/74/696484774.db2.gz UKHNRUKUVBEHEC-WMZOPIPTSA-N 1 3 347.507 1.994 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(CCCO)[C@H]2C)CC1 ZINC000994135158 696529990 /nfs/dbraw/zinc/52/99/90/696529990.db2.gz QGUYETOLTJLNBC-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008286 700109974 /nfs/dbraw/zinc/10/99/74/700109974.db2.gz HPNSMXSVTYHHIR-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136854 699223652 /nfs/dbraw/zinc/22/36/52/699223652.db2.gz CKBWUKIEJWSMKU-PBHICJAKSA-N 1 3 345.491 1.453 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1)N(C)C ZINC000941571185 701580835 /nfs/dbraw/zinc/58/08/35/701580835.db2.gz OBQASVRMVATBRN-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO C[NH+]1CCC(CC(=O)N2CCN(C3CN(CC4CCC4)C3)CC2)CC1 ZINC000941596022 701587605 /nfs/dbraw/zinc/58/76/05/701587605.db2.gz TVJYDQIQUZYNRT-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939257086 699434359 /nfs/dbraw/zinc/43/43/59/699434359.db2.gz JFQSHHGXKDQPTQ-KSSFIOAISA-N 1 3 347.507 1.397 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941677714 701616141 /nfs/dbraw/zinc/61/61/41/701616141.db2.gz UXMGCQUBTHJKII-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941677714 701616142 /nfs/dbraw/zinc/61/61/42/701616142.db2.gz UXMGCQUBTHJKII-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118775 701623159 /nfs/dbraw/zinc/62/31/59/701623159.db2.gz UDOLHPGRYWYLDO-DNVCBOLYSA-N 1 3 349.519 1.724 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1)C1CC1 ZINC000940149661 700282732 /nfs/dbraw/zinc/28/27/32/700282732.db2.gz NNOGNKVDJJJHIF-OAHLLOKOSA-N 1 3 336.505 1.954 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000940164364 700299268 /nfs/dbraw/zinc/29/92/68/700299268.db2.gz LLXPTKSYAYPSDC-KRWDZBQOSA-N 1 3 349.523 1.785 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)on1 ZINC000940179039 700312726 /nfs/dbraw/zinc/31/27/26/700312726.db2.gz PVTUKFLWLCPEGW-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)cn1 ZINC000995051599 700356644 /nfs/dbraw/zinc/35/66/44/700356644.db2.gz BTJTZJBBWYTAMB-DOTOQJQBSA-N 1 3 347.507 1.669 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000940200330 700358898 /nfs/dbraw/zinc/35/88/98/700358898.db2.gz LIZAWUOGZQMJHG-UHFFFAOYSA-N 1 3 345.491 1.519 20 0 EDADHO Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000940328113 700505614 /nfs/dbraw/zinc/50/56/14/700505614.db2.gz FRRPJEZNQYUAJT-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN3CC[C@@H](C)C3)CC2)ncn1 ZINC000940329575 700508973 /nfs/dbraw/zinc/50/89/73/700508973.db2.gz VNLHUCDLYHXTMT-OAHLLOKOSA-N 1 3 345.491 1.598 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329501 700509183 /nfs/dbraw/zinc/50/91/83/700509183.db2.gz UTYMLQLFZVOXJJ-IRXDYDNUSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nnc(CNC2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC000940365520 700546497 /nfs/dbraw/zinc/54/64/97/700546497.db2.gz HZLRCFFJNXUIJQ-UHFFFAOYSA-N 1 3 348.495 1.316 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)CC1 ZINC000940392678 700569236 /nfs/dbraw/zinc/56/92/36/700569236.db2.gz KBHGJWJGTSSBLY-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC1 ZINC000940392858 700569659 /nfs/dbraw/zinc/56/96/59/700569659.db2.gz RJDZFCBYZHQCQZ-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO CCn1ccc(CNC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082808 700726978 /nfs/dbraw/zinc/72/69/78/700726978.db2.gz ZTRAPSQKFRWGRA-DOTOQJQBSA-N 1 3 347.507 1.619 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976855 /nfs/dbraw/zinc/97/68/55/700976855.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 1 3 349.519 1.722 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976856 /nfs/dbraw/zinc/97/68/56/700976856.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 1 3 349.519 1.722 20 0 EDADHO Cn1ccc(CNC[C@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000995113016 701023690 /nfs/dbraw/zinc/02/36/90/701023690.db2.gz MWYWRWJSJPSMIC-DLBZAZTESA-N 1 3 347.507 1.527 20 0 EDADHO CN(CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)C1CCC1 ZINC000941437678 701540586 /nfs/dbraw/zinc/54/05/86/701540586.db2.gz AZNVNKVOCOXJTN-UHFFFAOYSA-N 1 3 334.508 1.099 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001031979459 702073381 /nfs/dbraw/zinc/07/33/81/702073381.db2.gz WRRNAXJFHSPZOE-IBGZPJMESA-N 1 3 347.503 1.877 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189262 702227887 /nfs/dbraw/zinc/22/78/87/702227887.db2.gz ZZFDNVQHAQHHKC-HZPDHXFCSA-N 1 3 334.464 1.562 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)C1 ZINC000996300453 702691612 /nfs/dbraw/zinc/69/16/12/702691612.db2.gz MONDMIOXMNQJLN-DYVFJYSZSA-N 1 3 331.451 1.995 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)C1 ZINC000996300453 702691614 /nfs/dbraw/zinc/69/16/14/702691614.db2.gz MONDMIOXMNQJLN-DYVFJYSZSA-N 1 3 331.451 1.995 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996300206 702691830 /nfs/dbraw/zinc/69/18/30/702691830.db2.gz KGZGRXMOWTXMJA-YOEHRIQHSA-N 1 3 347.507 1.539 20 0 EDADHO C[C@H](N[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C)C(N)=O ZINC000996413313 702764558 /nfs/dbraw/zinc/76/45/58/702764558.db2.gz CFGUDEAWUGQNNS-BBRMVZONSA-N 1 3 346.475 1.062 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518250 702853724 /nfs/dbraw/zinc/85/37/24/702853724.db2.gz IUFQMRXYLNNQDA-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518250 702853726 /nfs/dbraw/zinc/85/37/26/702853726.db2.gz IUFQMRXYLNNQDA-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559818 702877941 /nfs/dbraw/zinc/87/79/41/702877941.db2.gz FREGTZWBHQHGRE-OAHLLOKOSA-N 1 3 349.504 1.269 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000996607259 702910639 /nfs/dbraw/zinc/91/06/39/702910639.db2.gz LUWHIKAXZKAKNV-UKRRQHHQSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000996607259 702910640 /nfs/dbraw/zinc/91/06/40/702910640.db2.gz LUWHIKAXZKAKNV-UKRRQHHQSA-N 1 3 336.505 1.872 20 0 EDADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605467 702915050 /nfs/dbraw/zinc/91/50/50/702915050.db2.gz FKKBZPMDUHTYFS-IIAWOOMASA-N 1 3 331.464 1.458 20 0 EDADHO C[C@@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605467 702915052 /nfs/dbraw/zinc/91/50/52/702915052.db2.gz FKKBZPMDUHTYFS-IIAWOOMASA-N 1 3 331.464 1.458 20 0 EDADHO C[C@@H]1CN(CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442978 702938971 /nfs/dbraw/zinc/93/89/71/702938971.db2.gz BSHHGYRKLQEVHR-UKRRQHHQSA-N 1 3 331.395 1.677 20 0 EDADHO C[C@@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442978 702938973 /nfs/dbraw/zinc/93/89/73/702938973.db2.gz BSHHGYRKLQEVHR-UKRRQHHQSA-N 1 3 331.395 1.677 20 0 EDADHO C[C@@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442978 702938976 /nfs/dbraw/zinc/93/89/76/702938976.db2.gz BSHHGYRKLQEVHR-UKRRQHHQSA-N 1 3 331.395 1.677 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)C1CCC1 ZINC000996665589 702968169 /nfs/dbraw/zinc/96/81/69/702968169.db2.gz MZTIWMNXBSILEW-UHFFFAOYSA-N 1 3 333.480 1.028 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)ccn1 ZINC000996673860 702969145 /nfs/dbraw/zinc/96/91/45/702969145.db2.gz YCMHKJARWOUQDU-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1nc(CN[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)n[nH]1 ZINC000996672982 702974047 /nfs/dbraw/zinc/97/40/47/702974047.db2.gz RMLBKFDDODJSAG-OAHLLOKOSA-N 1 3 348.495 1.316 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1)C1CC1 ZINC000996680958 702979339 /nfs/dbraw/zinc/97/93/39/702979339.db2.gz XGJAGFKEFLTQOR-OAHLLOKOSA-N 1 3 329.435 1.953 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1)N(C)C ZINC000996692245 702989389 /nfs/dbraw/zinc/98/93/89/702989389.db2.gz MCFKXEQNYXZKJF-SJORKVTESA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996755404 703044218 /nfs/dbraw/zinc/04/42/18/703044218.db2.gz CQGXROCKAVRWIX-KRWDZBQOSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996755404 703044220 /nfs/dbraw/zinc/04/42/20/703044220.db2.gz CQGXROCKAVRWIX-KRWDZBQOSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558583 703063268 /nfs/dbraw/zinc/06/32/68/703063268.db2.gz YSINGMLYRRGNHZ-DLBZAZTESA-N 1 3 347.507 1.584 20 0 EDADHO C[C@H]1C[N@@H+](CCn2cccn2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558583 703063272 /nfs/dbraw/zinc/06/32/72/703063272.db2.gz YSINGMLYRRGNHZ-DLBZAZTESA-N 1 3 347.507 1.584 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996853445 703132287 /nfs/dbraw/zinc/13/22/87/703132287.db2.gz DFKURUAIMRYRHP-YPMHNXCESA-N 1 3 330.354 1.589 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1C ZINC000996996690 703259877 /nfs/dbraw/zinc/25/98/77/703259877.db2.gz YJSNAURZNPVZKL-AWEZNQCLSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1C ZINC000996996690 703259879 /nfs/dbraw/zinc/25/98/79/703259879.db2.gz YJSNAURZNPVZKL-AWEZNQCLSA-N 1 3 333.480 1.293 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996937 703260590 /nfs/dbraw/zinc/26/05/90/703260590.db2.gz ATZRXEAACBCWQW-CQSZACIVSA-N 1 3 336.505 1.608 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005304 703262459 /nfs/dbraw/zinc/26/24/59/703262459.db2.gz DHHWKBAHWGWRAY-QAPCUYQASA-N 1 3 347.507 1.742 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005304 703262460 /nfs/dbraw/zinc/26/24/60/703262460.db2.gz DHHWKBAHWGWRAY-QAPCUYQASA-N 1 3 347.507 1.742 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006423 703263889 /nfs/dbraw/zinc/26/38/89/703263889.db2.gz MAHQCHHFRUWISR-CQSZACIVSA-N 1 3 334.439 1.643 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)ncn1 ZINC000997007295 703264816 /nfs/dbraw/zinc/26/48/16/703264816.db2.gz PQLILFIZGCDJIF-AWEZNQCLSA-N 1 3 331.464 1.207 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997059345 703303412 /nfs/dbraw/zinc/30/34/12/703303412.db2.gz AMANUSOFDWOEBX-GOSISDBHSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997059345 703303414 /nfs/dbraw/zinc/30/34/14/703303414.db2.gz AMANUSOFDWOEBX-GOSISDBHSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408694 703436138 /nfs/dbraw/zinc/43/61/38/703436138.db2.gz CMPNAAQMJSKQNI-FJIDUMEYSA-N 1 3 335.492 1.427 20 0 EDADHO CC[C@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)N(C)C ZINC001060822114 703537227 /nfs/dbraw/zinc/53/72/27/703537227.db2.gz RNRSALFUINZPFR-BZUAXINKSA-N 1 3 340.512 1.070 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997307378 703565723 /nfs/dbraw/zinc/56/57/23/703565723.db2.gz PHDLHQFVEGVCIG-UHFFFAOYSA-N 1 3 333.480 1.122 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997367150 703601547 /nfs/dbraw/zinc/60/15/47/703601547.db2.gz WAQUWAMOSQCTEN-HNNXBMFYSA-N 1 3 337.493 1.493 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997367150 703601548 /nfs/dbraw/zinc/60/15/48/703601548.db2.gz WAQUWAMOSQCTEN-HNNXBMFYSA-N 1 3 337.493 1.493 20 0 EDADHO COc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997605720 703903467 /nfs/dbraw/zinc/90/34/67/703903467.db2.gz HANVMVNLXSFEOO-KRWDZBQOSA-N 1 3 346.475 1.513 20 0 EDADHO CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997612590 703910042 /nfs/dbraw/zinc/91/00/42/703910042.db2.gz JIRCSEMQSVXHAF-SFHVURJKSA-N 1 3 347.507 1.886 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459614 704453358 /nfs/dbraw/zinc/45/33/58/704453358.db2.gz VIKHFFIVEKKXMY-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459614 704453359 /nfs/dbraw/zinc/45/33/59/704453359.db2.gz VIKHFFIVEKKXMY-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032538423 704588544 /nfs/dbraw/zinc/58/85/44/704588544.db2.gz QMOKFLZLFZEMNB-FHWLQOOXSA-N 1 3 347.503 1.573 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000997831993 704749982 /nfs/dbraw/zinc/74/99/82/704749982.db2.gz XAUIABGPMWCPCE-QGZVFWFLSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840490 704756839 /nfs/dbraw/zinc/75/68/39/704756839.db2.gz NUQBCDMXYSKRIY-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840490 704756842 /nfs/dbraw/zinc/75/68/42/704756842.db2.gz NUQBCDMXYSKRIY-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000998047515 705243420 /nfs/dbraw/zinc/24/34/20/705243420.db2.gz PMIOOJDIKHAVFP-GOSISDBHSA-N 1 3 349.523 1.817 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998083012 705310967 /nfs/dbraw/zinc/31/09/67/705310967.db2.gz SOYRFKCTIRKNLL-CQSZACIVSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1csc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998224336 705553013 /nfs/dbraw/zinc/55/30/13/705553013.db2.gz ZPTJBXDBWSJFAA-UHFFFAOYSA-N 1 3 348.516 1.876 20 0 EDADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998723977 706155836 /nfs/dbraw/zinc/15/58/36/706155836.db2.gz SXUNJMSRCNTVIQ-ZBFHGGJFSA-N 1 3 336.505 1.935 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998735031 706168913 /nfs/dbraw/zinc/16/89/13/706168913.db2.gz YKQNBFBTVJTVPO-QZTJIDSGSA-N 1 3 347.507 1.947 20 0 EDADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC(NCc2ccccn2)C1 ZINC000998781331 706222652 /nfs/dbraw/zinc/22/26/52/706222652.db2.gz VXAMJCPNDGFDGW-ABHNRTSZSA-N 1 3 328.460 1.502 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000999341742 706853448 /nfs/dbraw/zinc/85/34/48/706853448.db2.gz IMFJYXJWROSPEW-UHFFFAOYSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362250 706875524 /nfs/dbraw/zinc/87/55/24/706875524.db2.gz AJABAFSBNZXSBT-WMZOPIPTSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999366790 706880310 /nfs/dbraw/zinc/88/03/10/706880310.db2.gz CKIOTBFPKNLFFX-GDBMZVCRSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999406858 706916243 /nfs/dbraw/zinc/91/62/43/706916243.db2.gz AMHDNQWIKCSSLW-GRTSSRMGSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999410505 706920315 /nfs/dbraw/zinc/92/03/15/706920315.db2.gz YFLRTMRGTOXBHV-IGEOTXOUSA-N 1 3 333.480 1.149 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCc2ccns2)C1 ZINC000999510185 707008092 /nfs/dbraw/zinc/00/80/92/707008092.db2.gz VZANOSTXVQPTGZ-UHFFFAOYSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC000999489263 707025347 /nfs/dbraw/zinc/02/53/47/707025347.db2.gz JUVUGHOAEFLYDR-IAGOWNOFSA-N 1 3 335.496 1.366 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)N(C)C ZINC000999492257 707028663 /nfs/dbraw/zinc/02/86/63/707028663.db2.gz YZFDGLKPQKSHHC-KZNAEPCWSA-N 1 3 333.476 1.641 20 0 EDADHO Cc1cccnc1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999711751 707307737 /nfs/dbraw/zinc/30/77/37/707307737.db2.gz ZRUOESJQCDIMSK-UHFFFAOYSA-N 1 3 328.460 1.565 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033276279 707340296 /nfs/dbraw/zinc/34/02/96/707340296.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 1 3 333.476 1.182 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033276279 707340298 /nfs/dbraw/zinc/34/02/98/707340298.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 1 3 333.476 1.182 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000999829510 707458607 /nfs/dbraw/zinc/45/86/07/707458607.db2.gz IMZIHZFAFWDVRU-NFOMZHRRSA-N 1 3 334.464 1.576 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999829510 707458610 /nfs/dbraw/zinc/45/86/10/707458610.db2.gz IMZIHZFAFWDVRU-NFOMZHRRSA-N 1 3 334.464 1.576 20 0 EDADHO C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004873686 707535802 /nfs/dbraw/zinc/53/58/02/707535802.db2.gz BFCVGODSYGGBCH-QAPCUYQASA-N 1 3 347.507 1.764 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986956 707658925 /nfs/dbraw/zinc/65/89/25/707658925.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 1 3 348.495 1.424 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986956 707658928 /nfs/dbraw/zinc/65/89/28/707658928.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 1 3 348.495 1.424 20 0 EDADHO C[C@H](O)CN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423999 707841077 /nfs/dbraw/zinc/84/10/77/707841077.db2.gz WHAIMIJWQXRALX-YJBOKZPZSA-N 1 3 333.476 1.318 20 0 EDADHO C[C@H](NCc1cnn(C)c1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004981902 707860349 /nfs/dbraw/zinc/86/03/49/707860349.db2.gz NVRVGISBINHVIN-DOTOQJQBSA-N 1 3 345.491 1.375 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033590432 708286752 /nfs/dbraw/zinc/28/67/52/708286752.db2.gz QGTYVICIFQLXHW-OAHLLOKOSA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033590432 708286754 /nfs/dbraw/zinc/28/67/54/708286754.db2.gz QGTYVICIFQLXHW-OAHLLOKOSA-N 1 3 334.464 1.647 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835467 708339679 /nfs/dbraw/zinc/33/96/79/708339679.db2.gz WSHIXFUDJBNTQY-HNAYVOBHSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835467 708339683 /nfs/dbraw/zinc/33/96/83/708339683.db2.gz WSHIXFUDJBNTQY-HNAYVOBHSA-N 1 3 344.503 1.916 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001002037880 708558808 /nfs/dbraw/zinc/55/88/08/708558808.db2.gz QZCLOZZWFWYNEP-SJLPKXTDSA-N 1 3 339.524 1.850 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002813035 709420740 /nfs/dbraw/zinc/42/07/40/709420740.db2.gz WGQJXDSBHXELCT-SJLPKXTDSA-N 1 3 345.491 1.338 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002813035 709420743 /nfs/dbraw/zinc/42/07/43/709420743.db2.gz WGQJXDSBHXELCT-SJLPKXTDSA-N 1 3 345.491 1.338 20 0 EDADHO O=C(N[C@H]1CCCCN(CCc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001034491782 710112557 /nfs/dbraw/zinc/11/25/57/710112557.db2.gz XEJZBHJMISUMQT-HNNXBMFYSA-N 1 3 348.516 1.752 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526025 710177843 /nfs/dbraw/zinc/17/78/43/710177843.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 1 3 345.487 1.988 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526025 710177847 /nfs/dbraw/zinc/17/78/47/710177847.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 1 3 345.487 1.988 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646166 710322311 /nfs/dbraw/zinc/32/23/11/710322311.db2.gz DDQXOBIPUUHNTM-XSLAGTTESA-N 1 3 337.508 1.913 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034722369 710889253 /nfs/dbraw/zinc/88/92/53/710889253.db2.gz XKRSIOKZBKASED-WKILWMFISA-N 1 3 334.464 1.842 20 0 EDADHO C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732631 710910609 /nfs/dbraw/zinc/91/06/09/710910609.db2.gz FSMYOTMMDFYEJS-YRBFXIGRSA-N 1 3 343.487 1.597 20 0 EDADHO CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005741548 711315753 /nfs/dbraw/zinc/31/57/53/711315753.db2.gz MMBCZIGBZSCFMM-IPCDKGFNSA-N 1 3 347.503 1.739 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034937020 711437687 /nfs/dbraw/zinc/43/76/87/711437687.db2.gz ZDNWXCYCDXOCIY-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034937020 711437690 /nfs/dbraw/zinc/43/76/90/711437690.db2.gz ZDNWXCYCDXOCIY-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033144008 711959617 /nfs/dbraw/zinc/95/96/17/711959617.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 1 3 347.507 1.394 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033144008 711959619 /nfs/dbraw/zinc/95/96/19/711959619.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 1 3 347.507 1.394 20 0 EDADHO COCCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761466 214103114 /nfs/dbraw/zinc/10/31/14/214103114.db2.gz MFZHEKZUNQQNIG-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048553 282131977 /nfs/dbraw/zinc/13/19/77/282131977.db2.gz WEAMGSVRNUVEMC-KURKYZTESA-N 1 3 346.475 1.452 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048553 282131978 /nfs/dbraw/zinc/13/19/78/282131978.db2.gz WEAMGSVRNUVEMC-KURKYZTESA-N 1 3 346.475 1.452 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000342975697 539767773 /nfs/dbraw/zinc/76/77/73/539767773.db2.gz JEAAMMMRWATVNX-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914265 138280912 /nfs/dbraw/zinc/28/09/12/138280912.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914265 138280913 /nfs/dbraw/zinc/28/09/13/138280913.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914265 138280914 /nfs/dbraw/zinc/28/09/14/138280914.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 1 3 331.504 1.940 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000340262444 283218426 /nfs/dbraw/zinc/21/84/26/283218426.db2.gz DBHCEGRSUQEBMS-MRXNPFEDSA-N 1 3 340.512 1.167 20 0 EDADHO CCN1CCN(CCC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000564658195 306362560 /nfs/dbraw/zinc/36/25/60/306362560.db2.gz APCPRDDHFVHLJZ-UHFFFAOYSA-N 1 3 348.535 1.284 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000173951207 237271612 /nfs/dbraw/zinc/27/16/12/237271612.db2.gz LZBJGNKPGDESMI-INIZCTEOSA-N 1 3 348.495 1.831 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000173951207 237271620 /nfs/dbraw/zinc/27/16/20/237271620.db2.gz LZBJGNKPGDESMI-INIZCTEOSA-N 1 3 348.495 1.831 20 0 EDADHO CN1CC[C@@](O)(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959643 306371353 /nfs/dbraw/zinc/37/13/53/306371353.db2.gz GORPDHCVFKWKHQ-AZUAARDMSA-N 1 3 329.488 1.840 20 0 EDADHO CCOc1ccccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414478396 304117920 /nfs/dbraw/zinc/11/79/20/304117920.db2.gz DXDUOOKZFDPWAS-UHFFFAOYSA-N 1 3 347.503 1.972 20 0 EDADHO CC[C@H]1C[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCO1 ZINC000414480674 304118014 /nfs/dbraw/zinc/11/80/14/304118014.db2.gz JGZQLXKJNWWVQN-ROUUACIJSA-N 1 3 339.524 1.578 20 0 EDADHO COC1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000414519343 304121540 /nfs/dbraw/zinc/12/15/40/304121540.db2.gz AXZZUAURAUFRLJ-UHFFFAOYSA-N 1 3 348.487 1.799 20 0 EDADHO COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695618 304128523 /nfs/dbraw/zinc/12/85/23/304128523.db2.gz PGGPZAMRASXIKR-DOTOQJQBSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695618 304128525 /nfs/dbraw/zinc/12/85/25/304128525.db2.gz PGGPZAMRASXIKR-DOTOQJQBSA-N 1 3 331.460 1.682 20 0 EDADHO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414709669 304131233 /nfs/dbraw/zinc/13/12/33/304131233.db2.gz PCVVIYDIVKLKIY-NSHDSACASA-N 1 3 329.366 1.733 20 0 EDADHO C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414709669 304131234 /nfs/dbraw/zinc/13/12/34/304131234.db2.gz PCVVIYDIVKLKIY-NSHDSACASA-N 1 3 329.366 1.733 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000414784003 304140622 /nfs/dbraw/zinc/14/06/22/304140622.db2.gz KDACDAZIVFMLKT-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291735 296127761 /nfs/dbraw/zinc/12/77/61/296127761.db2.gz GYMQFFBPBFREPX-KFWWJZLASA-N 1 3 329.485 1.677 20 0 EDADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(-n2cccn2)c1 ZINC000415075474 304157819 /nfs/dbraw/zinc/15/78/19/304157819.db2.gz BNNRHNDCMNIWFF-HZPDHXFCSA-N 1 3 341.459 1.720 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000195128077 139007486 /nfs/dbraw/zinc/00/74/86/139007486.db2.gz MAAKSDVUSJKEDQ-AEFFLSMTSA-N 1 3 331.460 1.948 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H]2CSCCN2)CC1 ZINC000236922819 139035289 /nfs/dbraw/zinc/03/52/89/139035289.db2.gz OCBFLSFBFKTBGX-ZDUSSCGKSA-N 1 3 337.493 1.574 20 0 EDADHO CC[N@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120761884 284334041 /nfs/dbraw/zinc/33/40/41/284334041.db2.gz YBKYJWDVXNEUJE-UHFFFAOYSA-N 1 3 328.526 1.599 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000120761884 284334043 /nfs/dbraw/zinc/33/40/43/284334043.db2.gz YBKYJWDVXNEUJE-UHFFFAOYSA-N 1 3 328.526 1.599 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000237202031 139043949 /nfs/dbraw/zinc/04/39/49/139043949.db2.gz LVWSMAVAOGTEBO-IBGZPJMESA-N 1 3 341.455 1.813 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000237431790 139051077 /nfs/dbraw/zinc/05/10/77/139051077.db2.gz RTMFWMMBEJMQRQ-ROUUACIJSA-N 1 3 344.503 1.785 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000111413550 220152979 /nfs/dbraw/zinc/15/29/79/220152979.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000111413550 220152981 /nfs/dbraw/zinc/15/29/81/220152981.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000237945360 139064680 /nfs/dbraw/zinc/06/46/80/139064680.db2.gz BSUUPFRJABLFBM-HUUCEWRRSA-N 1 3 325.522 1.982 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000567611830 306456889 /nfs/dbraw/zinc/45/68/89/306456889.db2.gz OJXQZEJSWHWRPG-SFHVURJKSA-N 1 3 347.459 1.900 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000246325396 139104226 /nfs/dbraw/zinc/10/42/26/139104226.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 1 3 336.476 1.987 20 0 EDADHO COc1cccc(COC[C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000246325396 139104227 /nfs/dbraw/zinc/10/42/27/139104227.db2.gz AWIUYUNJLWNMMH-BPQIPLTHSA-N 1 3 336.476 1.987 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@H]1CCCN(C)C1 ZINC000246700929 139117793 /nfs/dbraw/zinc/11/77/93/139117793.db2.gz CULKCTTVDZGBCX-DLBZAZTESA-N 1 3 344.459 1.543 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCCNCC2)cc1 ZINC000415312427 304191791 /nfs/dbraw/zinc/19/17/91/304191791.db2.gz SQRUWXRVWFKLDY-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO CC(C)(C[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415385673 304210958 /nfs/dbraw/zinc/21/09/58/304210958.db2.gz VYUVZZUAVXRRDW-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CCN(C)C1CC1)C(C)C ZINC000410778320 250375144 /nfs/dbraw/zinc/37/51/44/250375144.db2.gz YHRLFFKDBPSRSZ-UHFFFAOYSA-N 1 3 340.512 1.116 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261536591 139208645 /nfs/dbraw/zinc/20/86/45/139208645.db2.gz PLBCLBYLAJNUBC-INIZCTEOSA-N 1 3 330.476 1.061 20 0 EDADHO C[C@H]1C[C@H](NC(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670801 139215998 /nfs/dbraw/zinc/21/59/98/139215998.db2.gz BUUQEXIKGFMCFQ-DOTOQJQBSA-N 1 3 331.460 1.664 20 0 EDADHO C[C@H]1C[C@H](NC(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670801 139215999 /nfs/dbraw/zinc/21/59/99/139215999.db2.gz BUUQEXIKGFMCFQ-DOTOQJQBSA-N 1 3 331.460 1.664 20 0 EDADHO COc1ccccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723684 139220747 /nfs/dbraw/zinc/22/07/47/139220747.db2.gz RADBFPPXDDTNQY-RDJZCZTQSA-N 1 3 331.460 1.775 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765936 139224230 /nfs/dbraw/zinc/22/42/30/139224230.db2.gz WIAXYSRVKOQSGB-FUHWJXTLSA-N 1 3 331.460 1.646 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259239 306501551 /nfs/dbraw/zinc/50/15/51/306501551.db2.gz WWICZUYHRRZDFN-NEPJUHHUSA-N 1 3 349.859 1.617 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCOCC1 ZINC000262135119 139253986 /nfs/dbraw/zinc/25/39/86/139253986.db2.gz GTXAKUILFRWITP-AWEZNQCLSA-N 1 3 337.489 1.757 20 0 EDADHO Cc1ccc(-c2n[nH]cc2CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262160156 139256230 /nfs/dbraw/zinc/25/62/30/139256230.db2.gz SKFCMJFICRYVMR-SFHVURJKSA-N 1 3 325.460 1.865 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NCCCNCc2cccnc2)CC1 ZINC000416881048 251117918 /nfs/dbraw/zinc/11/79/18/251117918.db2.gz ZEEPZCRVHJHOQU-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO CC(C)([NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417022200 251136827 /nfs/dbraw/zinc/13/68/27/251136827.db2.gz OBFKXYXRGSRSHP-UHFFFAOYSA-N 1 3 347.507 1.231 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417634261 251210863 /nfs/dbraw/zinc/21/08/63/251210863.db2.gz VHRCXGMMIKWLFR-BPUTZDHNSA-N 1 3 334.464 1.090 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617551 251207112 /nfs/dbraw/zinc/20/71/12/251207112.db2.gz CBLOWGLAIGNIHR-DOTOQJQBSA-N 1 3 348.491 1.794 20 0 EDADHO CC(C)(C[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417632800 251210647 /nfs/dbraw/zinc/21/06/47/251210647.db2.gz XFHTUPPCDQKWFF-UHFFFAOYSA-N 1 3 328.526 1.775 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000417694710 251231203 /nfs/dbraw/zinc/23/12/03/251231203.db2.gz SQBSVVFVWSOBHC-QAPCUYQASA-N 1 3 346.475 1.581 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)Cc2ccccc2C1 ZINC000417730626 251246360 /nfs/dbraw/zinc/24/63/60/251246360.db2.gz DNZHFLMUWVSJGS-QZTJIDSGSA-N 1 3 342.487 1.337 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417841126 251294160 /nfs/dbraw/zinc/29/41/60/251294160.db2.gz SMQPYPXOMHJVGD-WMLDXEAASA-N 1 3 341.459 1.869 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418110491 251325539 /nfs/dbraw/zinc/32/55/39/251325539.db2.gz FESZAZMDZKPUBA-PMPSAXMXSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417851424 251297576 /nfs/dbraw/zinc/29/75/76/251297576.db2.gz YPKAPOHGYBPZGL-KANFNMMFSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH2+]CC2)C1 ZINC000418304920 251358626 /nfs/dbraw/zinc/35/86/26/251358626.db2.gz HEXPYAMERJBCNE-MRXNPFEDSA-N 1 3 330.476 1.902 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418321219 251360512 /nfs/dbraw/zinc/36/05/12/251360512.db2.gz ANJQIPIYLIUQHL-SFHVURJKSA-N 1 3 331.464 1.346 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2([NH3+])CCC2)c1 ZINC000418531415 251376981 /nfs/dbraw/zinc/37/69/81/251376981.db2.gz WWHGYPKPVDEIPH-UHFFFAOYSA-N 1 3 334.464 1.650 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689093 251386709 /nfs/dbraw/zinc/38/67/09/251386709.db2.gz UVWCKTYLLRKHEQ-RYQLBKOJSA-N 1 3 330.476 1.725 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000262625313 139291153 /nfs/dbraw/zinc/29/11/53/139291153.db2.gz BHIFWESWGFXJPT-RDJZCZTQSA-N 1 3 344.459 1.465 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)CC1 ZINC000569577481 306511630 /nfs/dbraw/zinc/51/16/30/306511630.db2.gz VIJASHYTPDMXLH-UHFFFAOYSA-N 1 3 342.487 1.389 20 0 EDADHO CCN1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H]3COCCN3)cn2)CC1 ZINC000422882538 252009697 /nfs/dbraw/zinc/00/96/97/252009697.db2.gz SNGBLXIUQSVEKU-SJLPKXTDSA-N 1 3 347.507 1.080 20 0 EDADHO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCCCN1 ZINC000422906898 252017826 /nfs/dbraw/zinc/01/78/26/252017826.db2.gz VZIOYFOGGGTMLE-BBWFWOEESA-N 1 3 327.538 1.705 20 0 EDADHO C[C@H](NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422852280 252001109 /nfs/dbraw/zinc/00/11/09/252001109.db2.gz XVRBYQABFPLJDV-IRXDYDNUSA-N 1 3 330.476 1.313 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010676 252025275 /nfs/dbraw/zinc/02/52/75/252025275.db2.gz HBAZKEZXZGMFBT-MNOVXSKESA-N 1 3 326.359 1.211 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773564 252069449 /nfs/dbraw/zinc/06/94/49/252069449.db2.gz JPNQHOYYKCOEEP-YVWKXTFCSA-N 1 3 345.487 1.639 20 0 EDADHO C[C@@H](NC1CC1)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424020539 252115758 /nfs/dbraw/zinc/11/57/58/252115758.db2.gz PIXBMJZBWUQICQ-OAHLLOKOSA-N 1 3 330.476 1.237 20 0 EDADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C[C@H]2C1 ZINC000424287656 252190092 /nfs/dbraw/zinc/19/00/92/252190092.db2.gz YBDLSRKRQYEDNV-RZFLPCETSA-N 1 3 339.524 1.872 20 0 EDADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424366475 252201529 /nfs/dbraw/zinc/20/15/29/252201529.db2.gz IZOVGHZCNHLVDC-HUUCEWRRSA-N 1 3 335.448 1.570 20 0 EDADHO C[C@@H]1CC2(CN1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389125 252206932 /nfs/dbraw/zinc/20/69/32/252206932.db2.gz ZYXLOIIOUTZVLB-CQSZACIVSA-N 1 3 336.505 1.944 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000424466178 252239869 /nfs/dbraw/zinc/23/98/69/252239869.db2.gz LAGXTZWZWZQHPZ-WMLDXEAASA-N 1 3 344.459 1.477 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000424468237 252240974 /nfs/dbraw/zinc/24/09/74/252240974.db2.gz XNKYNSSPXOYXTR-HUUCEWRRSA-N 1 3 335.452 1.091 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000111798943 285023869 /nfs/dbraw/zinc/02/38/69/285023869.db2.gz FEYWWFUQIDSAKE-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCOc1cccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443060882 285119222 /nfs/dbraw/zinc/11/92/22/285119222.db2.gz PXZKUBRKEDTPOV-INIZCTEOSA-N 1 3 349.475 1.389 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471646489 255015485 /nfs/dbraw/zinc/01/54/85/255015485.db2.gz VOBAZWDZSLQJGI-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471646489 255015487 /nfs/dbraw/zinc/01/54/87/255015487.db2.gz VOBAZWDZSLQJGI-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)COC ZINC000341165460 285244350 /nfs/dbraw/zinc/24/43/50/285244350.db2.gz NHDCLZASKYFMFK-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](C)COC ZINC000341165460 285244351 /nfs/dbraw/zinc/24/43/51/285244351.db2.gz NHDCLZASKYFMFK-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCOCC1 ZINC000174151791 285243611 /nfs/dbraw/zinc/24/36/11/285243611.db2.gz WGLDPCXHRIYECP-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCOCC1 ZINC000174151791 285243612 /nfs/dbraw/zinc/24/36/12/285243612.db2.gz WGLDPCXHRIYECP-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000249015600 285245268 /nfs/dbraw/zinc/24/52/68/285245268.db2.gz JHFLVELHHJSODI-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000249015600 285245270 /nfs/dbraw/zinc/24/52/70/285245270.db2.gz JHFLVELHHJSODI-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)(C)OC(=O)N1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000493035384 255189077 /nfs/dbraw/zinc/18/90/77/255189077.db2.gz KPKKIQGRVNGKGD-INIZCTEOSA-N 1 3 341.496 1.680 20 0 EDADHO CN(C[C@H](O)CN1CCC(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496344205 255384200 /nfs/dbraw/zinc/38/42/00/255384200.db2.gz PUJBXMHEESLQCF-INIZCTEOSA-N 1 3 343.512 1.878 20 0 EDADHO CSCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155179792 533577343 /nfs/dbraw/zinc/57/73/43/533577343.db2.gz IXXXRXFSKSFIFV-UHFFFAOYSA-N 1 3 328.526 1.549 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000417308814 285484869 /nfs/dbraw/zinc/48/48/69/285484869.db2.gz IESAXHUMROBBDH-PKOBYXMFSA-N 1 3 348.491 1.666 20 0 EDADHO COC[C@@](C)(O)C[NH2+][C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000571498162 306567167 /nfs/dbraw/zinc/56/71/67/306567167.db2.gz LFIVVVWGAGPFDD-WMZOPIPTSA-N 1 3 334.460 1.962 20 0 EDADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H](N4CCCCC4)C3)cc2C1 ZINC000333312115 141297274 /nfs/dbraw/zinc/29/72/74/141297274.db2.gz LULRBVLBYSHGCK-WBVHZDCISA-N 1 3 343.475 1.990 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)CC[C@H]1[NH3+] ZINC000333570978 141338683 /nfs/dbraw/zinc/33/86/83/141338683.db2.gz MKZOKXMGPDOCDB-WMLDXEAASA-N 1 3 331.464 1.677 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712253 141363285 /nfs/dbraw/zinc/36/32/85/141363285.db2.gz SMSRFYVRPJQAHF-RDJZCZTQSA-N 1 3 343.537 1.703 20 0 EDADHO COc1cc(OC2CC2)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000572335580 306585957 /nfs/dbraw/zinc/58/59/57/306585957.db2.gz BKXUULXKUOOBJM-UHFFFAOYSA-N 1 3 349.475 1.802 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC[C@@H](F)C3)CC2)CC1 ZINC000344702627 143000612 /nfs/dbraw/zinc/00/06/12/143000612.db2.gz SYYAHHUQXMDNJT-HIFRSBDPSA-N 1 3 326.460 1.735 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000345916413 143146733 /nfs/dbraw/zinc/14/67/33/143146733.db2.gz IYYYPQOBDRTOCN-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)N(C)C1 ZINC000348027829 143393171 /nfs/dbraw/zinc/39/31/71/143393171.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)N(C)C1 ZINC000348027829 143393172 /nfs/dbraw/zinc/39/31/72/143393172.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 1 3 340.512 1.467 20 0 EDADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCNCC2)cc1 ZINC000572832662 306600033 /nfs/dbraw/zinc/60/00/33/306600033.db2.gz VRECDAHJHGHYAP-CQSZACIVSA-N 1 3 327.432 1.263 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765850 155166521 /nfs/dbraw/zinc/16/65/21/155166521.db2.gz IMTIFHANAPICBG-MUIFIZLQSA-N 1 3 331.460 1.945 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CCNC2 ZINC000573306662 306617650 /nfs/dbraw/zinc/61/76/50/306617650.db2.gz BDUSARLKPJYENG-OAHLLOKOSA-N 1 3 334.464 1.811 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCN(C)CC2)[C@@H](C)C1 ZINC000360979323 286058105 /nfs/dbraw/zinc/05/81/05/286058105.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCCN(C)CC2)[C@@H](C)C1 ZINC000360979323 286058107 /nfs/dbraw/zinc/05/81/07/286058107.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)N(C)C)cc1 ZINC000416846867 304351743 /nfs/dbraw/zinc/35/17/43/304351743.db2.gz UUKGXLKUZRCDBH-MSOLQXFVSA-N 1 3 347.507 1.055 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353110271 149290829 /nfs/dbraw/zinc/29/08/29/149290829.db2.gz VPFAEJXJWSEGQI-MRXNPFEDSA-N 1 3 342.528 1.497 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416972527 304358338 /nfs/dbraw/zinc/35/83/38/304358338.db2.gz IPDWEIZKMJALBA-SFHVURJKSA-N 1 3 330.476 1.697 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000416978937 304359937 /nfs/dbraw/zinc/35/99/37/304359937.db2.gz WJZFSSKAAZTRPW-IBGZPJMESA-N 1 3 348.491 1.816 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCCO1 ZINC000417030938 304362792 /nfs/dbraw/zinc/36/27/92/304362792.db2.gz PWRIMKXWUTUFPQ-SFHVURJKSA-N 1 3 346.475 1.194 20 0 EDADHO CSC1(CNC(=O)NCCN2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357610249 151083788 /nfs/dbraw/zinc/08/37/88/151083788.db2.gz SMFOAZNLUUJOGP-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000357925450 151198762 /nfs/dbraw/zinc/19/87/62/151198762.db2.gz ICDUCNGPZIKPNX-LJQANCHMSA-N 1 3 345.487 1.913 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358095131 151267998 /nfs/dbraw/zinc/26/79/98/151267998.db2.gz LYCJUMUSNXARIF-MRXNPFEDSA-N 1 3 340.512 1.637 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(C3CC3)CCO2)[C@@H](C)C1 ZINC000358153376 151289764 /nfs/dbraw/zinc/28/97/64/151289764.db2.gz IIDAQUANBRFQPQ-WDSOQIARSA-N 1 3 339.524 1.576 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(C3CC3)CCO2)[C@@H](C)C1 ZINC000358153376 151289766 /nfs/dbraw/zinc/28/97/66/151289766.db2.gz IIDAQUANBRFQPQ-WDSOQIARSA-N 1 3 339.524 1.576 20 0 EDADHO CN(CC(C)(C)C[NH3+])C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417102664 304372717 /nfs/dbraw/zinc/37/27/17/304372717.db2.gz CMQKETBNDLJUCW-UHFFFAOYSA-N 1 3 342.553 1.974 20 0 EDADHO CCN1CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000360695234 152156857 /nfs/dbraw/zinc/15/68/57/152156857.db2.gz OGAQPPBYKVMBEQ-UHFFFAOYSA-N 1 3 328.526 1.551 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360742719 152180961 /nfs/dbraw/zinc/18/09/61/152180961.db2.gz AIXOKIGNPYLCBL-HOCLYGCPSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360742719 152180965 /nfs/dbraw/zinc/18/09/65/152180965.db2.gz AIXOKIGNPYLCBL-HOCLYGCPSA-N 1 3 328.526 1.549 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000249114931 286306762 /nfs/dbraw/zinc/30/67/62/286306762.db2.gz NRFMFJXNFYVENY-HDMKZQKVSA-N 1 3 325.497 1.757 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827198 153068343 /nfs/dbraw/zinc/06/83/43/153068343.db2.gz RUMSVCFQOOQBPX-WMZOPIPTSA-N 1 3 333.476 1.500 20 0 EDADHO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@]1(F)CCNC1 ZINC000364871175 153356838 /nfs/dbraw/zinc/35/68/38/153356838.db2.gz GPTNNWPBMOPFSB-RHSMWYFYSA-N 1 3 335.379 1.236 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@@H](C[NH3+])C1 ZINC000417201575 304384009 /nfs/dbraw/zinc/38/40/09/304384009.db2.gz WQSAQZUJIZLRRS-KBAYOESNSA-N 1 3 332.492 1.928 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247335441 292335732 /nfs/dbraw/zinc/33/57/32/292335732.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247335441 292335733 /nfs/dbraw/zinc/33/57/33/292335733.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417532387 304403998 /nfs/dbraw/zinc/40/39/98/304403998.db2.gz VVAJHZZVGFMJHO-CRAIPNDOSA-N 1 3 348.491 1.609 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417549574 304404882 /nfs/dbraw/zinc/40/48/82/304404882.db2.gz TZHREFHUPHTGDR-CABCVRRESA-N 1 3 340.512 1.645 20 0 EDADHO CCC[C@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)N(C)C ZINC000374267616 157221476 /nfs/dbraw/zinc/22/14/76/157221476.db2.gz CISNEDGFPWYOIF-QGZVFWFLSA-N 1 3 325.497 1.819 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN2CCc2ccccc2)O1 ZINC000374602527 157342124 /nfs/dbraw/zinc/34/21/24/157342124.db2.gz KGNVFKRJIYSPLY-KURKYZTESA-N 1 3 331.460 1.316 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CCN(C)C1=O ZINC000378004430 158053405 /nfs/dbraw/zinc/05/34/05/158053405.db2.gz NEIPQXNVSBZAHK-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC(C)CC1 ZINC000419142910 286856361 /nfs/dbraw/zinc/85/63/61/286856361.db2.gz CQGUWVGCLLHYRQ-HNNXBMFYSA-N 1 3 338.496 1.001 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700483 287011693 /nfs/dbraw/zinc/01/16/93/287011693.db2.gz LKFQECLQAQJIPF-WBVHZDCISA-N 1 3 326.485 1.319 20 0 EDADHO C[NH2+]CCCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418275151 304473066 /nfs/dbraw/zinc/47/30/66/304473066.db2.gz CACVUWLISZKIPE-UHFFFAOYSA-N 1 3 328.407 1.648 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443062717 287318760 /nfs/dbraw/zinc/31/87/60/287318760.db2.gz VERSTQKNXDKSER-IXDOHACOSA-N 1 3 325.497 1.759 20 0 EDADHO CCN1CCN(CCCCNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659435077 452282473 /nfs/dbraw/zinc/28/24/73/452282473.db2.gz FEHKBYXWANGFGH-MRXNPFEDSA-N 1 3 327.517 1.077 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115371135 287344484 /nfs/dbraw/zinc/34/44/84/287344484.db2.gz RZFOILZBWJYKKX-GOSISDBHSA-N 1 3 333.476 1.642 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccnc1N1CCN(C)CC1 ZINC000158475481 225022586 /nfs/dbraw/zinc/02/25/86/225022586.db2.gz QRIDMOGUOMUESG-JFIYKMOQSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccnc1N1CCN(C)CC1 ZINC000158475481 225022592 /nfs/dbraw/zinc/02/25/92/225022592.db2.gz QRIDMOGUOMUESG-JFIYKMOQSA-N 1 3 331.508 1.652 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158937381 225112700 /nfs/dbraw/zinc/11/27/00/225112700.db2.gz XUKOGCFKTDKSGE-HXUWFJFHSA-N 1 3 342.487 1.411 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418333813 304481969 /nfs/dbraw/zinc/48/19/69/304481969.db2.gz VPMAVHXNQSKDEK-BRWVUGGUSA-N 1 3 331.464 1.249 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CCO)C1 ZINC000665758292 452326001 /nfs/dbraw/zinc/32/60/01/452326001.db2.gz DUQZMXHWDIOPJY-JKSUJKDBSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CCO)C1 ZINC000665758292 452326013 /nfs/dbraw/zinc/32/60/13/452326013.db2.gz DUQZMXHWDIOPJY-JKSUJKDBSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000665758280 452326315 /nfs/dbraw/zinc/32/63/15/452326315.db2.gz DMBKFHUAYHIHAH-RRFJBIMHSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCS[C@H](C)[C@H]1C ZINC000665758280 452326328 /nfs/dbraw/zinc/32/63/28/452326328.db2.gz DMBKFHUAYHIHAH-RRFJBIMHSA-N 1 3 330.542 1.794 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000193934421 267851122 /nfs/dbraw/zinc/85/11/22/267851122.db2.gz HGCJYSISDGRLKY-UHFFFAOYSA-N 1 3 334.508 1.101 20 0 EDADHO COCCN1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000195138888 267883002 /nfs/dbraw/zinc/88/30/02/267883002.db2.gz HSBIPLYZQYWUSX-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660468 274032962 /nfs/dbraw/zinc/03/29/62/274032962.db2.gz BZBLLKIPJVKATB-ROUUACIJSA-N 1 3 348.491 1.179 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417090451 277301021 /nfs/dbraw/zinc/30/10/21/277301021.db2.gz WLDGCIBCYNETNK-OAHLLOKOSA-N 1 3 330.476 1.732 20 0 EDADHO CC(C)(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422766392 277303672 /nfs/dbraw/zinc/30/36/72/277303672.db2.gz XDQDWDARHGCCFM-PXNSSMCTSA-N 1 3 345.487 1.943 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000355452935 278177271 /nfs/dbraw/zinc/17/72/71/278177271.db2.gz TUZQUHRDPKZNNJ-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596321 278201426 /nfs/dbraw/zinc/20/14/26/278201426.db2.gz ZUBWYRUHLRUEBD-APWZRJJASA-N 1 3 330.476 1.902 20 0 EDADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc1 ZINC000286631912 288050698 /nfs/dbraw/zinc/05/06/98/288050698.db2.gz ZJRZSVBIQWGSJN-CQSZACIVSA-N 1 3 335.448 1.393 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333769650 279190575 /nfs/dbraw/zinc/19/05/75/279190575.db2.gz FDMDSRDSRWPUFO-NJAFHUGGSA-N 1 3 337.508 1.996 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000287258805 288193716 /nfs/dbraw/zinc/19/37/16/288193716.db2.gz UKQVDIYPXUVWQB-KRWDZBQOSA-N 1 3 334.464 1.691 20 0 EDADHO CC[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)N1CCc2ccccc2C1 ZINC000417019255 280141632 /nfs/dbraw/zinc/14/16/32/280141632.db2.gz QVDJOEHABHUOTM-ADKAHSJRSA-N 1 3 330.476 1.954 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000287312672 288207496 /nfs/dbraw/zinc/20/74/96/288207496.db2.gz GXAKLFDUPZGNCM-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287312672 288207498 /nfs/dbraw/zinc/20/74/98/288207498.db2.gz GXAKLFDUPZGNCM-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO Cc1c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762864 280216750 /nfs/dbraw/zinc/21/67/50/280216750.db2.gz CEMZIRXZWYOSDN-CQSZACIVSA-N 1 3 346.479 1.258 20 0 EDADHO C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564594 288314773 /nfs/dbraw/zinc/31/47/73/288314773.db2.gz SVPLBUKYORFVKB-ZBFHGGJFSA-N 1 3 337.489 1.605 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000287779773 288321885 /nfs/dbraw/zinc/32/18/85/288321885.db2.gz AIBNWVANGNIHRE-RYQLBKOJSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000287779773 288321886 /nfs/dbraw/zinc/32/18/86/288321886.db2.gz AIBNWVANGNIHRE-RYQLBKOJSA-N 1 3 330.476 1.710 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728977 282038186 /nfs/dbraw/zinc/03/81/86/282038186.db2.gz BNBQMMFAJMCLGL-MSOLQXFVSA-N 1 3 344.503 1.902 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333772920 294610585 /nfs/dbraw/zinc/61/05/85/294610585.db2.gz CILBRQQVIHETEI-QZWWFDLISA-N 1 3 338.496 1.399 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418521146 304507860 /nfs/dbraw/zinc/50/78/60/304507860.db2.gz HZKSSGXWWJLOIS-GFCCVEGCSA-N 1 3 328.407 1.775 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418631224 304521584 /nfs/dbraw/zinc/52/15/84/304521584.db2.gz XROMSVGXOWKYDU-KRWDZBQOSA-N 1 3 333.480 1.672 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418634431 304522558 /nfs/dbraw/zinc/52/25/58/304522558.db2.gz YTJWOEVIINYPRJ-RBSFLKMASA-N 1 3 326.485 1.125 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418660744 304527190 /nfs/dbraw/zinc/52/71/90/304527190.db2.gz ZEXNINLEQSDKQB-OKZBNKHCSA-N 1 3 330.476 1.936 20 0 EDADHO CCC[C@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)N(C)C ZINC000422008603 447306827 /nfs/dbraw/zinc/30/68/27/447306827.db2.gz AETSVZLAJBVYRJ-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000448238801 447307185 /nfs/dbraw/zinc/30/71/85/447307185.db2.gz HXNMGOHALIWLOI-QGZVFWFLSA-N 1 3 346.475 1.135 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](N)c2ccccc2C)CC1 ZINC000295153022 303181112 /nfs/dbraw/zinc/18/11/12/303181112.db2.gz JTOSTNOGPGIPDL-MAUKXSAKSA-N 1 3 332.492 1.385 20 0 EDADHO Cc1nn(Cc2ccccc2)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414859777 447331810 /nfs/dbraw/zinc/33/18/10/447331810.db2.gz BHEGUKWXESOTEW-UHFFFAOYSA-N 1 3 327.476 1.543 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC000414884133 447343758 /nfs/dbraw/zinc/34/37/58/447343758.db2.gz URPISEXCJBWYFX-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970424 304881758 /nfs/dbraw/zinc/88/17/58/304881758.db2.gz WOAFYIYDLOFXKC-ZGUYJTEBSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985042 304882059 /nfs/dbraw/zinc/88/20/59/304882059.db2.gz BVCXQRNJGCGSGT-MVJTYMMSSA-N 1 3 330.476 1.301 20 0 EDADHO CC[C@@H]1CN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087060 304885291 /nfs/dbraw/zinc/88/52/91/304885291.db2.gz NEVDFYZAQVVYDS-KPFFTGBYSA-N 1 3 345.487 1.943 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423768795 304909459 /nfs/dbraw/zinc/90/94/59/304909459.db2.gz DNHRQVDJKUAPCC-ZDUSSCGKSA-N 1 3 327.519 1.733 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037643 304925752 /nfs/dbraw/zinc/92/57/52/304925752.db2.gz KGPODZHGUORVGD-QZOZAFJCSA-N 1 3 331.435 2.000 20 0 EDADHO Cn1cc(C(=O)NC[C@H](N)c2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424078089 304928035 /nfs/dbraw/zinc/92/80/35/304928035.db2.gz PMCLEJIXVASSEA-HOCLYGCPSA-N 1 3 327.432 1.317 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000427151069 304985957 /nfs/dbraw/zinc/98/59/57/304985957.db2.gz BTZZYPUBNPOEDQ-SFHVURJKSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430941525 305069640 /nfs/dbraw/zinc/06/96/40/305069640.db2.gz WXJGMAICKUODQO-DLBZAZTESA-N 1 3 344.503 1.783 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000431039798 305073521 /nfs/dbraw/zinc/07/35/21/305073521.db2.gz YBIYQEYUERCBNJ-QGZVFWFLSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCC1 ZINC000432851966 305096123 /nfs/dbraw/zinc/09/61/23/305096123.db2.gz DAOGTOPOFKQGCZ-HNNXBMFYSA-N 1 3 339.505 1.758 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCCN2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104883 /nfs/dbraw/zinc/10/48/83/305104883.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 1 3 347.507 1.746 20 0 EDADHO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCCN2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104884 /nfs/dbraw/zinc/10/48/84/305104884.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 1 3 347.507 1.746 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCCN2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104958 /nfs/dbraw/zinc/10/49/58/305104958.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 1 3 347.507 1.746 20 0 EDADHO CC[N@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCCN2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104959 /nfs/dbraw/zinc/10/49/59/305104959.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 1 3 347.507 1.746 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433375060 305106782 /nfs/dbraw/zinc/10/67/82/305106782.db2.gz KOFXFRLNEAWVHK-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000433406990 305108221 /nfs/dbraw/zinc/10/82/21/305108221.db2.gz UONUTVXGHNPWCA-KFWWJZLASA-N 1 3 334.468 1.005 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870540 305114230 /nfs/dbraw/zinc/11/42/30/305114230.db2.gz RCEZBTCEOOECQZ-PBHICJAKSA-N 1 3 339.505 1.755 20 0 EDADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000434693657 305127814 /nfs/dbraw/zinc/12/78/14/305127814.db2.gz OBHCUOXDCULIET-SUMWQHHRSA-N 1 3 328.420 1.777 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000435060824 305135767 /nfs/dbraw/zinc/13/57/67/305135767.db2.gz VIFSFBOYCSYMRG-FQEVSTJZSA-N 1 3 342.487 1.541 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000435060824 305135768 /nfs/dbraw/zinc/13/57/68/305135768.db2.gz VIFSFBOYCSYMRG-FQEVSTJZSA-N 1 3 342.487 1.541 20 0 EDADHO CCCN(C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435572175 305142788 /nfs/dbraw/zinc/14/27/88/305142788.db2.gz CQBDWVMHKBIFFD-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO CCN(CC)S(=O)(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000436469446 305157818 /nfs/dbraw/zinc/15/78/18/305157818.db2.gz BEBZKIPWEAPFBY-UHFFFAOYSA-N 1 3 340.493 1.312 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000438840549 305189924 /nfs/dbraw/zinc/18/99/24/305189924.db2.gz ZQLUPPMPOCXNAU-GOSISDBHSA-N 1 3 343.475 1.803 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440820643 305212942 /nfs/dbraw/zinc/21/29/42/305212942.db2.gz GRJNQOPJDTWQKM-GFCCVEGCSA-N 1 3 333.402 1.792 20 0 EDADHO CC(C)[NH+](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC000440992860 305216014 /nfs/dbraw/zinc/21/60/14/305216014.db2.gz PMYWPWLPCLCDLN-UHFFFAOYSA-N 1 3 341.544 1.430 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)ccc1OCCN(C)C ZINC000449331068 305311683 /nfs/dbraw/zinc/31/16/83/305311683.db2.gz XBRWWAYVUADWDA-UKRRQHHQSA-N 1 3 335.448 1.107 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000516488955 305737702 /nfs/dbraw/zinc/73/77/02/305737702.db2.gz QPKGGSZXLVONKS-UHFFFAOYSA-N 1 3 335.496 1.831 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000458421337 447358219 /nfs/dbraw/zinc/35/82/19/447358219.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000458421337 447358226 /nfs/dbraw/zinc/35/82/26/447358226.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 1 3 338.496 1.149 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000544586415 306076979 /nfs/dbraw/zinc/07/69/79/306076979.db2.gz PZZDLPXYBPIYLZ-KRWDZBQOSA-N 1 3 341.496 1.104 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422146299 447371899 /nfs/dbraw/zinc/37/18/99/447371899.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422146299 447371905 /nfs/dbraw/zinc/37/19/05/447371905.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426125445 447395003 /nfs/dbraw/zinc/39/50/03/447395003.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 1 3 348.535 1.630 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426125445 447395006 /nfs/dbraw/zinc/39/50/06/447395006.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 1 3 348.535 1.630 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422207835 447403545 /nfs/dbraw/zinc/40/35/45/447403545.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CCCN2C)CCCO1 ZINC000422207835 447403551 /nfs/dbraw/zinc/40/35/51/447403551.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)c[nH]1 ZINC000103211171 441177290 /nfs/dbraw/zinc/17/72/90/441177290.db2.gz QSLYEIAXBATMET-UHFFFAOYSA-N 1 3 331.258 1.343 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NCC1(O)CCN(C)CC1)C(C)C ZINC000072517708 441234477 /nfs/dbraw/zinc/23/44/77/441234477.db2.gz QLYXHSPKSCDUMI-UHFFFAOYSA-N 1 3 328.501 1.251 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)c1 ZINC000081509532 441279286 /nfs/dbraw/zinc/27/92/86/441279286.db2.gz WFASCRYPOJSNOM-KRWDZBQOSA-N 1 3 335.496 1.583 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccn(C)c1 ZINC000081509532 441279288 /nfs/dbraw/zinc/27/92/88/441279288.db2.gz WFASCRYPOJSNOM-KRWDZBQOSA-N 1 3 335.496 1.583 20 0 EDADHO CC[NH+]1CCC(N(C)C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000106388601 441336441 /nfs/dbraw/zinc/33/64/41/441336441.db2.gz IXBVXMDULCSMMI-GOSISDBHSA-N 1 3 336.476 1.989 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N(C)C ZINC000106434861 441343381 /nfs/dbraw/zinc/34/33/81/441343381.db2.gz GEQIVFVQBGCQCJ-INIZCTEOSA-N 1 3 348.447 1.681 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536583 /nfs/dbraw/zinc/53/65/83/441536583.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536589 /nfs/dbraw/zinc/53/65/89/441536589.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066482816 441536592 /nfs/dbraw/zinc/53/65/92/441536592.db2.gz ZJBOBQFDRRNQJY-SOLBZPMBSA-N 1 3 327.513 1.261 20 0 EDADHO CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000090797248 441644002 /nfs/dbraw/zinc/64/40/02/441644002.db2.gz QHOZCMXYSFFCIJ-HNNXBMFYSA-N 1 3 343.537 1.655 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000115784210 441777614 /nfs/dbraw/zinc/77/76/14/441777614.db2.gz HUIDTGYJYRFDFR-WBVHZDCISA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000115784210 441777617 /nfs/dbraw/zinc/77/76/17/441777617.db2.gz HUIDTGYJYRFDFR-WBVHZDCISA-N 1 3 340.512 1.517 20 0 EDADHO CC1CCN(C[C@@H](O)C[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000158994052 441779359 /nfs/dbraw/zinc/77/93/59/441779359.db2.gz BUTIHEONLTVFFP-FQEVSTJZSA-N 1 3 346.519 1.728 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC2CCN(Cc3cccnc3)CC2)CC1 ZINC000158994052 441779363 /nfs/dbraw/zinc/77/93/63/441779363.db2.gz BUTIHEONLTVFFP-FQEVSTJZSA-N 1 3 346.519 1.728 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000138612864 441795647 /nfs/dbraw/zinc/79/56/47/441795647.db2.gz POWUJQCCECGMLS-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CC[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000124766518 441951240 /nfs/dbraw/zinc/95/12/40/441951240.db2.gz XPIATQLLZQFOAN-IBGZPJMESA-N 1 3 346.519 1.651 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000126122076 442080868 /nfs/dbraw/zinc/08/08/68/442080868.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 1 3 328.501 1.232 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126122076 442080871 /nfs/dbraw/zinc/08/08/71/442080871.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 1 3 328.501 1.232 20 0 EDADHO COc1cc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OCC(N)=O ZINC000162672820 442114028 /nfs/dbraw/zinc/11/40/28/442114028.db2.gz GXADAECTLOWBNX-NFAWXSAZSA-N 1 3 335.448 1.378 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458672508 447447159 /nfs/dbraw/zinc/44/71/59/447447159.db2.gz YOUADRXUWLQYDT-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000176332366 442210528 /nfs/dbraw/zinc/21/05/28/442210528.db2.gz BWXJUNIEKHKSIM-UHFFFAOYSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000176329652 442210912 /nfs/dbraw/zinc/21/09/12/442210912.db2.gz GINVSMUFAVTNRE-OAHLLOKOSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000176329652 442210917 /nfs/dbraw/zinc/21/09/17/442210917.db2.gz GINVSMUFAVTNRE-OAHLLOKOSA-N 1 3 340.512 1.658 20 0 EDADHO COc1cc(CNC(=O)C[C@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000130496147 442347647 /nfs/dbraw/zinc/34/76/47/442347647.db2.gz INFDTVQZSPOYBQ-OAHLLOKOSA-N 1 3 335.448 1.251 20 0 EDADHO CC[C@@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000130616169 442351729 /nfs/dbraw/zinc/35/17/29/442351729.db2.gz GWSXCOUDPLOEKY-GOSISDBHSA-N 1 3 332.492 1.438 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)COC ZINC000494612440 447448718 /nfs/dbraw/zinc/44/87/18/447448718.db2.gz NNZQCTAQQXREFU-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC(C)(C)COC ZINC000494612440 447448722 /nfs/dbraw/zinc/44/87/22/447448722.db2.gz NNZQCTAQQXREFU-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@@H](C)O1 ZINC000155919821 442436292 /nfs/dbraw/zinc/43/62/92/442436292.db2.gz WXATWYOJDROJGL-IAGOWNOFSA-N 1 3 340.508 1.739 20 0 EDADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000156653216 442506673 /nfs/dbraw/zinc/50/66/73/442506673.db2.gz ZIRAZFCEXQUJTM-KRWDZBQOSA-N 1 3 345.487 1.979 20 0 EDADHO CCCN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000178926501 442527587 /nfs/dbraw/zinc/52/75/87/442527587.db2.gz ACLMOXPEEGXHPH-IBGZPJMESA-N 1 3 344.503 1.799 20 0 EDADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231293 442619062 /nfs/dbraw/zinc/61/90/62/442619062.db2.gz BRJSNWLSTKNBLC-ZWKOTPCHSA-N 1 3 333.476 1.734 20 0 EDADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231293 442619064 /nfs/dbraw/zinc/61/90/64/442619064.db2.gz BRJSNWLSTKNBLC-ZWKOTPCHSA-N 1 3 333.476 1.734 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000247040086 442831058 /nfs/dbraw/zinc/83/10/58/442831058.db2.gz MRUXGJOZTKQDLC-NCOADZHNSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000247040086 442831064 /nfs/dbraw/zinc/83/10/64/442831064.db2.gz MRUXGJOZTKQDLC-NCOADZHNSA-N 1 3 327.538 1.513 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000246989115 442826097 /nfs/dbraw/zinc/82/60/97/442826097.db2.gz KCSFYVJJDZXAEG-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000246989115 442826102 /nfs/dbraw/zinc/82/61/02/442826102.db2.gz KCSFYVJJDZXAEG-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268048136 442828771 /nfs/dbraw/zinc/82/87/71/442828771.db2.gz YKVSUGYGVPLJPA-UHFFFAOYSA-N 1 3 340.468 1.321 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268048136 442828775 /nfs/dbraw/zinc/82/87/75/442828775.db2.gz YKVSUGYGVPLJPA-UHFFFAOYSA-N 1 3 340.468 1.321 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890636 442935446 /nfs/dbraw/zinc/93/54/46/442935446.db2.gz FRRFGAYDZCXXHU-APWZRJJASA-N 1 3 345.487 1.601 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@@H]1[NH+](C)C ZINC000268394229 442973833 /nfs/dbraw/zinc/97/38/33/442973833.db2.gz QIHCLIKAEZLKCI-YJBOKZPZSA-N 1 3 348.491 1.719 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccnc1OC ZINC000195118853 442983420 /nfs/dbraw/zinc/98/34/20/442983420.db2.gz NUNOBMSZNIJMNW-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccnc1OC ZINC000195118853 442983424 /nfs/dbraw/zinc/98/34/24/442983424.db2.gz NUNOBMSZNIJMNW-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000249555550 442986939 /nfs/dbraw/zinc/98/69/39/442986939.db2.gz JOWSPPHAIOZTFB-SOLBZPMBSA-N 1 3 337.508 1.724 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354442 443090990 /nfs/dbraw/zinc/09/09/90/443090990.db2.gz JHFLVELHHJSODI-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354442 443090993 /nfs/dbraw/zinc/09/09/93/443090993.db2.gz JHFLVELHHJSODI-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](O)C34CCC4)CC2)CC1 ZINC000619069801 450398941 /nfs/dbraw/zinc/39/89/41/450398941.db2.gz FPRPLKKEBAPBEH-ZWKOTPCHSA-N 1 3 349.519 1.602 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000269002386 443170521 /nfs/dbraw/zinc/17/05/21/443170521.db2.gz PLDRDKTVOPMDLP-MJGOQNOKSA-N 1 3 331.504 1.943 20 0 EDADHO Cc1c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237489881 443173875 /nfs/dbraw/zinc/17/38/75/443173875.db2.gz UONYNODBCNMLCW-ZIAGYGMSSA-N 1 3 348.495 1.361 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235362 443244515 /nfs/dbraw/zinc/24/45/15/443244515.db2.gz GHTCZVWUPTUAJR-ZWKOTPCHSA-N 1 3 331.460 1.046 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235362 443244518 /nfs/dbraw/zinc/24/45/18/443244518.db2.gz GHTCZVWUPTUAJR-ZWKOTPCHSA-N 1 3 331.460 1.046 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185680410 443238197 /nfs/dbraw/zinc/23/81/97/443238197.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 1 3 327.517 1.042 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185680410 443238200 /nfs/dbraw/zinc/23/82/00/443238200.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 1 3 327.517 1.042 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000269225663 443239936 /nfs/dbraw/zinc/23/99/36/443239936.db2.gz DCSRDOHPWVSMLC-QFBILLFUSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CNCCO2)C1 ZINC000269225663 443239939 /nfs/dbraw/zinc/23/99/39/443239939.db2.gz DCSRDOHPWVSMLC-QFBILLFUSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](C)C1 ZINC000262712407 443208237 /nfs/dbraw/zinc/20/82/37/443208237.db2.gz FSTCUJIBWOBABH-OWCLPIDISA-N 1 3 333.480 1.658 20 0 EDADHO COC(=O)Cn1cc(CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000185716082 443243648 /nfs/dbraw/zinc/24/36/48/443243648.db2.gz WWYMCDQFTCTIOC-CABCVRRESA-N 1 3 349.479 1.236 20 0 EDADHO COC(=O)Cn1cc(CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000185716082 443243650 /nfs/dbraw/zinc/24/36/50/443243650.db2.gz WWYMCDQFTCTIOC-CABCVRRESA-N 1 3 349.479 1.236 20 0 EDADHO COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)nn1 ZINC000185716082 443243653 /nfs/dbraw/zinc/24/36/53/443243653.db2.gz WWYMCDQFTCTIOC-CABCVRRESA-N 1 3 349.479 1.236 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N1CCNCC1 ZINC000382763719 319125166 /nfs/dbraw/zinc/12/51/66/319125166.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC(=O)N1CCNCC1 ZINC000382763719 319125167 /nfs/dbraw/zinc/12/51/67/319125167.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)N1CCNCC1 ZINC000382763719 319125168 /nfs/dbraw/zinc/12/51/68/319125168.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC(=O)N1CCNCC1 ZINC000382763719 319125169 /nfs/dbraw/zinc/12/51/69/319125169.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 1 3 344.503 1.405 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000415937976 319383685 /nfs/dbraw/zinc/38/36/85/319383685.db2.gz ZUYYPIAUKMNYCA-UHFFFAOYSA-N 1 3 347.507 1.944 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996078 319388467 /nfs/dbraw/zinc/38/84/67/319388467.db2.gz OMKIYLGRRRDHKU-KBPBESRZSA-N 1 3 346.397 1.738 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000186037272 443300819 /nfs/dbraw/zinc/30/08/19/443300819.db2.gz AGJZUAJUQJKDPL-MRXNPFEDSA-N 1 3 347.507 1.896 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N1CCOC2(CNC2)C1)CC(C)C ZINC000416941577 319480668 /nfs/dbraw/zinc/48/06/68/319480668.db2.gz AGFXTSZQQRXGFI-HNNXBMFYSA-N 1 3 326.485 1.127 20 0 EDADHO CC[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559157 443348154 /nfs/dbraw/zinc/34/81/54/443348154.db2.gz QFBYFXPRIUUABV-OALUTQOASA-N 1 3 347.503 1.642 20 0 EDADHO C[C@@H](CC(N)=O)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000267254058 443394505 /nfs/dbraw/zinc/39/45/05/443394505.db2.gz OSOZTNYRLWKATO-INIZCTEOSA-N 1 3 333.476 1.911 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC000278984686 443481284 /nfs/dbraw/zinc/48/12/84/443481284.db2.gz YVLKUKKWXQCNKY-UHFFFAOYSA-N 1 3 331.460 1.872 20 0 EDADHO C[C@H](C[NH3+])N[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423327741 319765047 /nfs/dbraw/zinc/76/50/47/319765047.db2.gz NRULQTIOUHDPLS-WBMJQRKESA-N 1 3 338.883 1.515 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000273161643 443554579 /nfs/dbraw/zinc/55/45/79/443554579.db2.gz BRHJDKCNOOIWLK-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO CN1CCC(CC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000273161643 443554582 /nfs/dbraw/zinc/55/45/82/443554582.db2.gz BRHJDKCNOOIWLK-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000434871528 320006310 /nfs/dbraw/zinc/00/63/10/320006310.db2.gz WXCUVIWESGJCHT-MRXNPFEDSA-N 1 3 325.522 1.852 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000444260387 320122762 /nfs/dbraw/zinc/12/27/62/320122762.db2.gz AGUSXLIIGSXXEH-QGZVFWFLSA-N 1 3 330.476 1.457 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000444269255 320123534 /nfs/dbraw/zinc/12/35/34/320123534.db2.gz NZDCAFAZRAJVJW-GOSISDBHSA-N 1 3 344.503 1.847 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453644330 320266267 /nfs/dbraw/zinc/26/62/67/320266267.db2.gz MHXCTBMUYXBMBR-INIZCTEOSA-N 1 3 332.448 1.242 20 0 EDADHO OCC[NH+]1CCC(CNCc2cnnn2Cc2ccccc2)CC1 ZINC000490868470 320363986 /nfs/dbraw/zinc/36/39/86/320363986.db2.gz BEQXYUBMRDWBSP-UHFFFAOYSA-N 1 3 329.448 1.120 20 0 EDADHO COc1cc2[nH+]ccc(NC[C@@H]3CN(C)CCN3C)c2cc1OC ZINC000298252974 443730795 /nfs/dbraw/zinc/73/07/95/443730795.db2.gz NGTNTCHKUJHDAC-CYBMUJFWSA-N 1 3 330.432 1.910 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000288502925 443901126 /nfs/dbraw/zinc/90/11/26/443901126.db2.gz BJOSMEYXBFJRBM-MRXNPFEDSA-N 1 3 335.448 1.424 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000288502925 443901129 /nfs/dbraw/zinc/90/11/29/443901129.db2.gz BJOSMEYXBFJRBM-MRXNPFEDSA-N 1 3 335.448 1.424 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N(C)C ZINC000299180950 443976644 /nfs/dbraw/zinc/97/66/44/443976644.db2.gz XPWNIKQVDCZRQI-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO CNC(=O)NC(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299297848 444009679 /nfs/dbraw/zinc/00/96/79/444009679.db2.gz MRVPQAZCXUNQRO-HWWDLCQESA-N 1 3 346.475 1.578 20 0 EDADHO CNC(=O)NC(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000299297848 444009684 /nfs/dbraw/zinc/00/96/84/444009684.db2.gz MRVPQAZCXUNQRO-HWWDLCQESA-N 1 3 346.475 1.578 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289170385 444068621 /nfs/dbraw/zinc/06/86/21/444068621.db2.gz FGHNOEYVJYKBQQ-JQFCIGGWSA-N 1 3 328.412 1.891 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289170385 444068623 /nfs/dbraw/zinc/06/86/23/444068623.db2.gz FGHNOEYVJYKBQQ-JQFCIGGWSA-N 1 3 328.412 1.891 20 0 EDADHO CN(C(=O)N[C@@H]1CCC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000561215532 321036532 /nfs/dbraw/zinc/03/65/32/321036532.db2.gz ALRDSPICMVMTLZ-QGZVFWFLSA-N 1 3 345.491 1.482 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000562803795 321077077 /nfs/dbraw/zinc/07/70/77/321077077.db2.gz BNZGQJDQWLHTCF-MAUKXSAKSA-N 1 3 344.503 1.997 20 0 EDADHO Cc1nc2n(n1)C[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000562960769 321083968 /nfs/dbraw/zinc/08/39/68/321083968.db2.gz YJHKXYKNJYLPKD-SIXWZSSISA-N 1 3 339.443 1.747 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000563075146 321093952 /nfs/dbraw/zinc/09/39/52/321093952.db2.gz YHPXHRKZOHYTLO-KDOFPFPSSA-N 1 3 331.460 1.258 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)COCc1ccccc1 ZINC000564854990 321151775 /nfs/dbraw/zinc/15/17/75/321151775.db2.gz VBDBHZTULBGDHK-XUVXKRRUSA-N 1 3 348.487 1.532 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000565999555 321209543 /nfs/dbraw/zinc/20/95/43/321209543.db2.gz IPGKWYMICAQFBX-INIZCTEOSA-N 1 3 345.491 1.987 20 0 EDADHO Cc1ncc2n1C[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)CC2 ZINC000568020404 321273344 /nfs/dbraw/zinc/27/33/44/321273344.db2.gz UKIPIIORXGGYKN-MRXNPFEDSA-N 1 3 347.507 1.238 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)C(C)(C)O)CC2)CC1 ZINC000568230244 321283515 /nfs/dbraw/zinc/28/35/15/321283515.db2.gz UPVLMPYPVCBMHZ-OAHLLOKOSA-N 1 3 339.524 1.801 20 0 EDADHO C[C@@H](NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCCC[NH2+]1 ZINC000568499375 321294078 /nfs/dbraw/zinc/29/40/78/321294078.db2.gz MZFVOEXFVICVHE-PMPSAXMXSA-N 1 3 343.479 1.461 20 0 EDADHO CN1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](CN)C1 ZINC000569085715 321317670 /nfs/dbraw/zinc/31/76/70/321317670.db2.gz JAMGWKJAJNFDLB-SFHVURJKSA-N 1 3 345.491 1.067 20 0 EDADHO OCCN1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472527 321326713 /nfs/dbraw/zinc/32/67/13/321326713.db2.gz ASDMJMDIONMKDS-POAQFYNOSA-N 1 3 345.487 1.679 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCCO3)CC2)CC1 ZINC000570524953 321345285 /nfs/dbraw/zinc/34/52/85/321345285.db2.gz CKXYVFGRINOYCE-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N(C)C3(C[NH3+])CCC3)CC2)c1 ZINC000570931244 321364355 /nfs/dbraw/zinc/36/43/55/321364355.db2.gz IHOIWGHBYYGRHZ-UHFFFAOYSA-N 1 3 344.503 1.847 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000571926519 321406910 /nfs/dbraw/zinc/40/69/10/321406910.db2.gz UDIMTTWENHIECF-UHFFFAOYSA-N 1 3 346.475 1.525 20 0 EDADHO CN(CCCN(C)CC(=O)NC(=O)Nc1ccccc1)CC[NH+](C)C ZINC000289493008 444158290 /nfs/dbraw/zinc/15/82/90/444158290.db2.gz STLSZLABLPWNSO-UHFFFAOYSA-N 1 3 349.479 1.150 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575156614 321518098 /nfs/dbraw/zinc/51/80/98/321518098.db2.gz GDOBWRFYEWLRIW-ZSHCYNCHSA-N 1 3 334.489 1.477 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000576492615 321571674 /nfs/dbraw/zinc/57/16/74/321571674.db2.gz OGWPOWLEZYQUFL-YOEHRIQHSA-N 1 3 331.464 1.595 20 0 EDADHO CC[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304397235 444248495 /nfs/dbraw/zinc/24/84/95/444248495.db2.gz VTQDGSFNDPXHGP-AWEZNQCLSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)C[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305129127 444259782 /nfs/dbraw/zinc/25/97/82/444259782.db2.gz JGWVBAJGFOIRRT-MRXNPFEDSA-N 1 3 340.512 1.251 20 0 EDADHO CC[C@](C)(CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305138238 444260517 /nfs/dbraw/zinc/26/05/17/444260517.db2.gz GXJOXAXFXCPKMA-GOSISDBHSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)nc1 ZINC000290634251 444304069 /nfs/dbraw/zinc/30/40/69/444304069.db2.gz JCBGLPXRPYCAFI-NSHDSACASA-N 1 3 328.254 1.951 20 0 EDADHO CCn1nc(C)c(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976448 444288859 /nfs/dbraw/zinc/28/88/59/444288859.db2.gz WDLPGTROXDBYDO-AEFFLSMTSA-N 1 3 347.507 1.600 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295644 444291634 /nfs/dbraw/zinc/29/16/34/444291634.db2.gz OUBZMVAQPYXIKE-INIZCTEOSA-N 1 3 332.492 1.307 20 0 EDADHO CN1CCC(C[NH2+]C[C@](C)(O)C(F)(F)F)(N2CCCCC2)CC1 ZINC000579583078 321949852 /nfs/dbraw/zinc/94/98/52/321949852.db2.gz BPYMCMNAFWEABI-AWEZNQCLSA-N 1 3 337.430 1.840 20 0 EDADHO C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300423 322032930 /nfs/dbraw/zinc/03/29/30/322032930.db2.gz KTQSHQPDJBIEHW-KCQAQPDRSA-N 1 3 344.450 1.936 20 0 EDADHO C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300423 322032932 /nfs/dbraw/zinc/03/29/32/322032932.db2.gz KTQSHQPDJBIEHW-KCQAQPDRSA-N 1 3 344.450 1.936 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@]3(C)CCC[NH2+]3)ccc2oc1=O ZINC000580648485 322078330 /nfs/dbraw/zinc/07/83/30/322078330.db2.gz AIHWGYHTWOOREX-KRWDZBQOSA-N 1 3 332.404 1.237 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478100 322181865 /nfs/dbraw/zinc/18/18/65/322181865.db2.gz DRRTZMXTPCYCEB-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@H](CCNC(=O)N1CCOC2(CNC2)C1)[N@H+](C)Cc1ccccc1 ZINC000581478250 322182171 /nfs/dbraw/zinc/18/21/71/322182171.db2.gz ULFPVTMXHDFUQC-MRXNPFEDSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@H](CCNC(=O)N1CCOC2(CNC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000581478250 322182172 /nfs/dbraw/zinc/18/21/72/322182172.db2.gz ULFPVTMXHDFUQC-MRXNPFEDSA-N 1 3 346.475 1.281 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000581820694 322220584 /nfs/dbraw/zinc/22/05/84/322220584.db2.gz RHPZTGTWZLWMNA-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)cc1C ZINC000338081606 444510960 /nfs/dbraw/zinc/51/09/60/444510960.db2.gz CTTPTEVQOOEYLM-KRWDZBQOSA-N 1 3 335.496 1.374 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1nc(C)cc1C ZINC000338081606 444510962 /nfs/dbraw/zinc/51/09/62/444510962.db2.gz CTTPTEVQOOEYLM-KRWDZBQOSA-N 1 3 335.496 1.374 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765729 444575619 /nfs/dbraw/zinc/57/56/19/444575619.db2.gz IUPGFDBPJMXSHL-KFAOIVLFSA-N 1 3 335.492 1.284 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000338260633 444593742 /nfs/dbraw/zinc/59/37/42/444593742.db2.gz XERITRDXDIBYJL-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO CN(CCN1CCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333001610 444625683 /nfs/dbraw/zinc/62/56/83/444625683.db2.gz HVQKLPLFHUMVIK-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341057046 444656646 /nfs/dbraw/zinc/65/66/46/444656646.db2.gz NOIKOJWOHCHKBW-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000338459658 444705580 /nfs/dbraw/zinc/70/55/80/444705580.db2.gz MGUHERKPSCFFAI-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000338459658 444705582 /nfs/dbraw/zinc/70/55/82/444705582.db2.gz MGUHERKPSCFFAI-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425608 444686672 /nfs/dbraw/zinc/68/66/72/444686672.db2.gz PHSFEJUFKSNMBM-HNAYVOBHSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425608 444686685 /nfs/dbraw/zinc/68/66/85/444686685.db2.gz PHSFEJUFKSNMBM-HNAYVOBHSA-N 1 3 345.487 1.457 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H](C)CN1CCOCC1 ZINC000344151658 444808595 /nfs/dbraw/zinc/80/85/95/444808595.db2.gz TYHBMZZRMQSPBE-GOSISDBHSA-N 1 3 326.529 1.057 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H](C)CN1CCOCC1 ZINC000344151658 444808599 /nfs/dbraw/zinc/80/85/99/444808599.db2.gz TYHBMZZRMQSPBE-GOSISDBHSA-N 1 3 326.529 1.057 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000342766022 444856412 /nfs/dbraw/zinc/85/64/12/444856412.db2.gz RQVHZVKNVHZJOD-PVAVHDDUSA-N 1 3 347.459 1.436 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000342766022 444856415 /nfs/dbraw/zinc/85/64/15/444856415.db2.gz RQVHZVKNVHZJOD-PVAVHDDUSA-N 1 3 347.459 1.436 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943330 444956350 /nfs/dbraw/zinc/95/63/50/444956350.db2.gz PUBMOPHWSKVHRV-RDJZCZTQSA-N 1 3 345.491 1.806 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000344488453 445004934 /nfs/dbraw/zinc/00/49/34/445004934.db2.gz XAAAAEBLICHFJM-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)CC(N)=O)CC2)c1 ZINC000341886640 445053129 /nfs/dbraw/zinc/05/31/29/445053129.db2.gz CAGCPLBWWYGDTN-KRWDZBQOSA-N 1 3 332.492 1.751 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105670 445070353 /nfs/dbraw/zinc/07/03/53/445070353.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105670 445070356 /nfs/dbraw/zinc/07/03/56/445070356.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 1 3 345.487 1.591 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343157053 445102522 /nfs/dbraw/zinc/10/25/22/445102522.db2.gz HXXALQQGNNYYMA-ARFHVFGLSA-N 1 3 340.512 1.070 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000337510943 445112546 /nfs/dbraw/zinc/11/25/46/445112546.db2.gz LNKNPLSPHSNLCR-UHFFFAOYSA-N 1 3 347.507 1.475 20 0 EDADHO CN1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000337603740 445161374 /nfs/dbraw/zinc/16/13/74/445161374.db2.gz OQNYVQSCRGLMTN-UHFFFAOYSA-N 1 3 326.510 1.305 20 0 EDADHO CCn1nc(C)c([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065872 445205681 /nfs/dbraw/zinc/20/56/81/445205681.db2.gz KDLOWWPERUVWHN-XJKSGUPXSA-N 1 3 335.496 1.758 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C1 ZINC000346182827 445207900 /nfs/dbraw/zinc/20/79/00/445207900.db2.gz DXXYGNJBGGBHPH-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)N(C)C1 ZINC000346661141 445222116 /nfs/dbraw/zinc/22/21/16/445222116.db2.gz ONIYUFSCACYJNW-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000347310667 445236030 /nfs/dbraw/zinc/23/60/30/445236030.db2.gz WWSNNTLHAWXWQH-CQSZACIVSA-N 1 3 336.484 2.002 20 0 EDADHO CC[C@H]1C[C@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCO1 ZINC000356968117 445352305 /nfs/dbraw/zinc/35/23/05/445352305.db2.gz QDXJWTDWPXEZDS-WBVHZDCISA-N 1 3 325.497 1.581 20 0 EDADHO OCCN1CCN(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237428 445325272 /nfs/dbraw/zinc/32/52/72/445325272.db2.gz CZLBLDSLYYIMIX-WOJBJXKFSA-N 1 3 331.504 1.770 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000362547445 445433069 /nfs/dbraw/zinc/43/30/69/445433069.db2.gz JCWPYOGPNXSAIP-ZDUSSCGKSA-N 1 3 343.431 1.679 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)CCN2CCc3ccccc3C2)n1 ZINC000348912347 445438429 /nfs/dbraw/zinc/43/84/29/445438429.db2.gz OPNUNWUBTBTCPB-UHFFFAOYSA-N 1 3 341.459 1.832 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126379 445509238 /nfs/dbraw/zinc/50/92/38/445509238.db2.gz SHDOKXJWQPYRIU-ICSRJNTNSA-N 1 3 347.503 1.718 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126379 445509242 /nfs/dbraw/zinc/50/92/42/445509242.db2.gz SHDOKXJWQPYRIU-ICSRJNTNSA-N 1 3 347.503 1.718 20 0 EDADHO C[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260400 445513373 /nfs/dbraw/zinc/51/33/73/445513373.db2.gz VWPNKQDVZNMKNT-OWCLPIDISA-N 1 3 337.508 1.580 20 0 EDADHO [NH3+]C[C@H](C(=O)NC[C@H]1NCCc2ccccc21)c1ccc(F)cc1 ZINC000357241853 445502484 /nfs/dbraw/zinc/50/24/84/445502484.db2.gz OCZFPOACMBYGLW-ZWKOTPCHSA-N 1 3 327.403 1.871 20 0 EDADHO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358504838 445623866 /nfs/dbraw/zinc/62/38/66/445623866.db2.gz ITLWWARFOMCZMM-HUUCEWRRSA-N 1 3 336.480 1.466 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878417 445593503 /nfs/dbraw/zinc/59/35/03/445593503.db2.gz VWTFWVHTTHVRKU-KBXCAEBGSA-N 1 3 331.460 1.780 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878417 445593507 /nfs/dbraw/zinc/59/35/07/445593507.db2.gz VWTFWVHTTHVRKU-KBXCAEBGSA-N 1 3 331.460 1.780 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910932 445718862 /nfs/dbraw/zinc/71/88/62/445718862.db2.gz MYXHQHWRFUKQOI-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700191 445725977 /nfs/dbraw/zinc/72/59/77/445725977.db2.gz YZTWLUSZTVAUGS-NUJGCVRESA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]1CCC[N@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000363229474 445732627 /nfs/dbraw/zinc/73/26/27/445732627.db2.gz DWZCMVARUGWIHD-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000363229474 445732630 /nfs/dbraw/zinc/73/26/30/445732630.db2.gz DWZCMVARUGWIHD-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358710508 445734298 /nfs/dbraw/zinc/73/42/98/445734298.db2.gz SLBJPJWYOTZSEU-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC1CCN(CCO)CC1 ZINC000358710508 445734302 /nfs/dbraw/zinc/73/43/02/445734302.db2.gz SLBJPJWYOTZSEU-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000363312411 445762156 /nfs/dbraw/zinc/76/21/56/445762156.db2.gz KVJBYPVVLIXZCC-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000350167903 445784460 /nfs/dbraw/zinc/78/44/60/445784460.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 1 3 348.535 1.393 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000350167903 445784462 /nfs/dbraw/zinc/78/44/62/445784462.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 1 3 348.535 1.393 20 0 EDADHO C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000356459287 445801661 /nfs/dbraw/zinc/80/16/61/445801661.db2.gz OARQOGFFROTOLH-BZUAXINKSA-N 1 3 348.491 1.900 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000356531477 445844839 /nfs/dbraw/zinc/84/48/39/445844839.db2.gz LPOGJDPSLGWJLC-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363556309 445857404 /nfs/dbraw/zinc/85/74/04/445857404.db2.gz ATQXHOIQXMSRGR-RCCFBDPRSA-N 1 3 334.508 1.844 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363556309 445857407 /nfs/dbraw/zinc/85/74/07/445857407.db2.gz ATQXHOIQXMSRGR-RCCFBDPRSA-N 1 3 334.508 1.844 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000363556822 445857909 /nfs/dbraw/zinc/85/79/09/445857909.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000363556822 445857912 /nfs/dbraw/zinc/85/79/12/445857912.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916574 /nfs/dbraw/zinc/91/65/74/445916574.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 1 3 334.508 1.841 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916577 /nfs/dbraw/zinc/91/65/77/445916577.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 1 3 334.508 1.841 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021398 /nfs/dbraw/zinc/02/13/98/446021398.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 1 3 336.524 1.534 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021402 /nfs/dbraw/zinc/02/14/02/446021402.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 1 3 336.524 1.534 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000359280171 446115869 /nfs/dbraw/zinc/11/58/69/446115869.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000359280171 446115874 /nfs/dbraw/zinc/11/58/74/446115874.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662659 446143012 /nfs/dbraw/zinc/14/30/12/446143012.db2.gz HUQSCVIWMSZYPM-OAHLLOKOSA-N 1 3 348.495 2.146 20 0 EDADHO CCN1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000359318469 446146932 /nfs/dbraw/zinc/14/69/32/446146932.db2.gz NRUIKPYCGUCFTJ-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CN1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000365333929 446152955 /nfs/dbraw/zinc/15/29/55/446152955.db2.gz ZCRSDJHLCJERTE-SLBVQIDZSA-N 1 3 337.851 1.172 20 0 EDADHO CCCN1CCN(C2CC[NH+](C[C@H](O)CCOCC)CC2)CC1 ZINC000365635652 446282637 /nfs/dbraw/zinc/28/26/37/446282637.db2.gz PSRNJMNINXXCQZ-GOSISDBHSA-N 1 3 327.513 1.266 20 0 EDADHO CCOCC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365636251 446282906 /nfs/dbraw/zinc/28/29/06/446282906.db2.gz RJEYINCIVAONHG-ZIFCJYIRSA-N 1 3 342.524 1.985 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417328228 446344938 /nfs/dbraw/zinc/34/49/38/446344938.db2.gz IFHNACZDOZDBSL-QGZVFWFLSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417364419 446350237 /nfs/dbraw/zinc/35/02/37/446350237.db2.gz MUDAZNXDZYDMEW-KRWDZBQOSA-N 1 3 348.491 1.958 20 0 EDADHO CC1(C)CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1 ZINC000417510621 446357798 /nfs/dbraw/zinc/35/77/98/446357798.db2.gz XLYGDFFHEPVOLB-SFHVURJKSA-N 1 3 344.503 1.944 20 0 EDADHO CC1(C)CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1 ZINC000417510621 446357805 /nfs/dbraw/zinc/35/78/05/446357805.db2.gz XLYGDFFHEPVOLB-SFHVURJKSA-N 1 3 344.503 1.944 20 0 EDADHO CCCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000417546207 446363582 /nfs/dbraw/zinc/36/35/82/446363582.db2.gz LTQXHKMOXJTHSA-HNNXBMFYSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417648040 446368671 /nfs/dbraw/zinc/36/86/71/446368671.db2.gz GTHGTDYLKBFPLA-KURKYZTESA-N 1 3 328.460 1.654 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891238 446390823 /nfs/dbraw/zinc/39/08/23/446390823.db2.gz QPSYXJYKWSEFGA-NXHRZFHOSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891238 446390827 /nfs/dbraw/zinc/39/08/27/446390827.db2.gz QPSYXJYKWSEFGA-NXHRZFHOSA-N 1 3 337.508 1.724 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423137710 446436679 /nfs/dbraw/zinc/43/66/79/446436679.db2.gz WYFALCXFNPDTRK-GOSISDBHSA-N 1 3 340.512 1.010 20 0 EDADHO O=C1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141172 446437863 /nfs/dbraw/zinc/43/78/63/446437863.db2.gz OIBREEQNXYRTOC-XOSAIJSUSA-N 1 3 347.434 1.678 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138612 446442358 /nfs/dbraw/zinc/44/23/58/446442358.db2.gz JJKJTJURKLUGGE-MSOLQXFVSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000418181203 446449433 /nfs/dbraw/zinc/44/94/33/446449433.db2.gz KZHSJTFFPUQNGY-XOYOTBSWSA-N 1 3 330.476 1.929 20 0 EDADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000366907170 446407214 /nfs/dbraw/zinc/40/72/14/446407214.db2.gz AXDWNMJCRIFGJY-ROUUACIJSA-N 1 3 349.519 1.964 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000376312388 446424034 /nfs/dbraw/zinc/42/40/34/446424034.db2.gz UKXWQIJZBHBJDZ-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CCCNC(=O)C1CC[NH+](C[C@H](CN)c2ccc(OC)cc2)CC1 ZINC000420297405 446458850 /nfs/dbraw/zinc/45/88/50/446458850.db2.gz DDCCQDRPAJUFQP-KRWDZBQOSA-N 1 3 333.476 1.976 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N1CCc2ccccc2C1 ZINC000423324925 446487366 /nfs/dbraw/zinc/48/73/66/446487366.db2.gz LCKGHELUZAKLGQ-HBFSDRIKSA-N 1 3 327.472 1.938 20 0 EDADHO COc1cccc(NC(=O)CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326698 446493764 /nfs/dbraw/zinc/49/37/64/446493764.db2.gz KJZWLLHUIOFLBJ-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO COc1cccc(NC(=O)CC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420326698 446493767 /nfs/dbraw/zinc/49/37/67/446493767.db2.gz KJZWLLHUIOFLBJ-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO COc1cccc(NC(=O)CC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420326698 446493770 /nfs/dbraw/zinc/49/37/70/446493770.db2.gz KJZWLLHUIOFLBJ-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[NH2+][C@H](C)C2)CC1 ZINC000420336208 446506086 /nfs/dbraw/zinc/50/60/86/446506086.db2.gz LRRSUAOYVMLVAJ-GOSISDBHSA-N 1 3 344.503 1.323 20 0 EDADHO COC(=O)c1ccccc1OCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335430 446506800 /nfs/dbraw/zinc/50/68/00/446506800.db2.gz UXMMYUBYKGTZFA-OAHLLOKOSA-N 1 3 348.443 1.539 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000418350899 446510847 /nfs/dbraw/zinc/51/08/47/446510847.db2.gz TUIKDLSLHZXCPG-LESCRADOSA-N 1 3 348.491 1.985 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000423398171 446516552 /nfs/dbraw/zinc/51/65/52/446516552.db2.gz UCMSTHPNNRBBIM-ZJPYXAASSA-N 1 3 336.524 1.392 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000423398171 446516558 /nfs/dbraw/zinc/51/65/58/446516558.db2.gz UCMSTHPNNRBBIM-ZJPYXAASSA-N 1 3 336.524 1.392 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391435 446514259 /nfs/dbraw/zinc/51/42/59/446514259.db2.gz PLJQAMKPWPYXPA-STQMWFEESA-N 1 3 338.418 1.059 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446563008 /nfs/dbraw/zinc/56/30/08/446563008.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 1 3 342.531 1.780 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446563010 /nfs/dbraw/zinc/56/30/10/446563010.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 1 3 342.531 1.780 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000433165511 446540144 /nfs/dbraw/zinc/54/01/44/446540144.db2.gz VDRBGQRPKWYIRN-SFHVURJKSA-N 1 3 332.492 1.778 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000420363231 446543187 /nfs/dbraw/zinc/54/31/87/446543187.db2.gz BMFNEDNNWOVNOW-KRWDZBQOSA-N 1 3 343.537 1.703 20 0 EDADHO C[N@@H+]1CCC[C@H](CNCCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000367482479 446554089 /nfs/dbraw/zinc/55/40/89/446554089.db2.gz FMLJPKMVMDGATA-HZPDHXFCSA-N 1 3 325.478 1.338 20 0 EDADHO C[N@H+]1CCC[C@H](CNCCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000367482479 446554094 /nfs/dbraw/zinc/55/40/94/446554094.db2.gz FMLJPKMVMDGATA-HZPDHXFCSA-N 1 3 325.478 1.338 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000433334855 446555869 /nfs/dbraw/zinc/55/58/69/446555869.db2.gz NAJLZOHOJFGDNZ-IAGOWNOFSA-N 1 3 340.512 1.518 20 0 EDADHO C[NH+](C)CCOc1cc(CNC(=O)N2CCN3CCC2CC3)ccn1 ZINC000375160453 446616484 /nfs/dbraw/zinc/61/64/84/446616484.db2.gz PVIBRGXUKKMILP-UHFFFAOYSA-N 1 3 347.463 1.012 20 0 EDADHO CC(C)N1CCCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418683214 446647192 /nfs/dbraw/zinc/64/71/92/446647192.db2.gz JOJZFUNBEHVKFA-ZWKOTPCHSA-N 1 3 330.476 1.868 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000376806156 446731283 /nfs/dbraw/zinc/73/12/83/446731283.db2.gz ZZOOWHCDGANXSO-SFHVURJKSA-N 1 3 330.476 1.857 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)C1CCOCC1 ZINC000423751665 446681750 /nfs/dbraw/zinc/68/17/50/446681750.db2.gz ZCNZLBXHZNPZKX-SFHVURJKSA-N 1 3 333.476 1.851 20 0 EDADHO C[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000423751674 446682416 /nfs/dbraw/zinc/68/24/16/446682416.db2.gz VJCFDUKWCAZZKR-DOTOQJQBSA-N 1 3 325.497 1.581 20 0 EDADHO COCCNCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423895625 446748358 /nfs/dbraw/zinc/74/83/58/446748358.db2.gz GAUWPLYSOWZALA-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO COCCNCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423895625 446748363 /nfs/dbraw/zinc/74/83/63/446748363.db2.gz GAUWPLYSOWZALA-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000423901393 446751700 /nfs/dbraw/zinc/75/17/00/446751700.db2.gz TYFKYQBYFATLKD-WSTZPKSXSA-N 1 3 343.471 1.948 20 0 EDADHO Cn1cc(C(=O)Nc2ccc3c(c2)CNCC3)c([C@H]2CCC[NH2+]C2)n1 ZINC000424074730 446841879 /nfs/dbraw/zinc/84/18/79/446841879.db2.gz HTSAOIWVRQTPKP-AWEZNQCLSA-N 1 3 339.443 1.785 20 0 EDADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCN2CCC1CC2 ZINC000376928653 446802267 /nfs/dbraw/zinc/80/22/67/446802267.db2.gz CUECJYMBTQBKDG-UHFFFAOYSA-N 1 3 343.475 1.788 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000420972833 446943657 /nfs/dbraw/zinc/94/36/57/446943657.db2.gz BIDSGQIYHMCEDB-UHFFFAOYSA-N 1 3 344.503 1.778 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000420972833 446943663 /nfs/dbraw/zinc/94/36/63/446943663.db2.gz BIDSGQIYHMCEDB-UHFFFAOYSA-N 1 3 344.503 1.778 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000420972833 446943670 /nfs/dbraw/zinc/94/36/70/446943670.db2.gz BIDSGQIYHMCEDB-UHFFFAOYSA-N 1 3 344.503 1.778 20 0 EDADHO C[C@@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371692412 446948456 /nfs/dbraw/zinc/94/84/56/446948456.db2.gz JAZRUJHXRWYKPF-MRXNPFEDSA-N 1 3 336.524 1.536 20 0 EDADHO C[C@@H]1CN(CCC(=O)NC2CCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000371692412 446948466 /nfs/dbraw/zinc/94/84/66/446948466.db2.gz JAZRUJHXRWYKPF-MRXNPFEDSA-N 1 3 336.524 1.536 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444180961 447090780 /nfs/dbraw/zinc/09/07/80/447090780.db2.gz HQFCBBGJTBYGGZ-UYAOXDASSA-N 1 3 343.471 1.777 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568286 447147706 /nfs/dbraw/zinc/14/77/06/447147706.db2.gz GPJRUDVVYMJPJJ-FCEWJHQRSA-N 1 3 329.444 1.803 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569280 447149520 /nfs/dbraw/zinc/14/95/20/447149520.db2.gz BHZIAHYXBFSIQH-DOTOQJQBSA-N 1 3 329.492 1.893 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000419410115 447158225 /nfs/dbraw/zinc/15/82/25/447158225.db2.gz AIOJKTDFDYSDTI-IRXDYDNUSA-N 1 3 346.475 1.039 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813221 447126713 /nfs/dbraw/zinc/12/67/13/447126713.db2.gz DKZUIBQVJNPKFA-FZKQIMNGSA-N 1 3 344.415 1.094 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212923 /nfs/dbraw/zinc/21/29/23/447212923.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212932 /nfs/dbraw/zinc/21/29/32/447212932.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212937 /nfs/dbraw/zinc/21/29/37/447212937.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212945 /nfs/dbraw/zinc/21/29/45/447212945.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455671707 447206216 /nfs/dbraw/zinc/20/62/16/447206216.db2.gz TXVYFSOCQWBLLB-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455671707 447206221 /nfs/dbraw/zinc/20/62/21/447206221.db2.gz TXVYFSOCQWBLLB-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000368966770 447232969 /nfs/dbraw/zinc/23/29/69/447232969.db2.gz RDCABNQIGFOCIM-QGZVFWFLSA-N 1 3 345.487 1.811 20 0 EDADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414309497 447290727 /nfs/dbraw/zinc/29/07/27/447290727.db2.gz RVTZHQOIBWUKMA-IEBWSBKVSA-N 1 3 331.504 1.943 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]3CN(C)C[C@H]32)CC1 ZINC000425671433 447262153 /nfs/dbraw/zinc/26/21/53/447262153.db2.gz TWGTWKYJGGLPEN-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO COC[C@]1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981846 447456395 /nfs/dbraw/zinc/45/63/95/447456395.db2.gz PRVVKRUTGJNSPA-HKUYNNGSSA-N 1 3 331.460 1.345 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458730443 447466266 /nfs/dbraw/zinc/46/62/66/447466266.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458730443 447466272 /nfs/dbraw/zinc/46/62/72/447466272.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000389881783 447487166 /nfs/dbraw/zinc/48/71/66/447487166.db2.gz OQOQRKUBTXTOEF-IEZWGBDMSA-N 1 3 331.460 1.249 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420011471 447545086 /nfs/dbraw/zinc/54/50/86/447545086.db2.gz GVBJAIBNPLMNBS-HOTGVXAUSA-N 1 3 340.512 1.201 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055326 447562099 /nfs/dbraw/zinc/56/20/99/447562099.db2.gz XAQOFFYZWDXBJB-QZTJIDSGSA-N 1 3 331.460 1.521 20 0 EDADHO CC(C)[C@H]1C[N@H+](C)CCN1CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000495913358 447638893 /nfs/dbraw/zinc/63/88/93/447638893.db2.gz QBSIRCTUSQDCQR-AEFFLSMTSA-N 1 3 336.480 1.133 20 0 EDADHO CC(C)[C@H]1C[N@@H+](C)CCN1CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000495913358 447638900 /nfs/dbraw/zinc/63/89/00/447638900.db2.gz QBSIRCTUSQDCQR-AEFFLSMTSA-N 1 3 336.480 1.133 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457564629 447599645 /nfs/dbraw/zinc/59/96/45/447599645.db2.gz SWFWYSDYHBRTIG-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420119379 447613842 /nfs/dbraw/zinc/61/38/42/447613842.db2.gz IZJWFZMXKHXFFQ-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695043 447622813 /nfs/dbraw/zinc/62/28/13/447622813.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695043 447622819 /nfs/dbraw/zinc/62/28/19/447622819.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CNCCO1)c1ccccc1 ZINC000416850460 447695837 /nfs/dbraw/zinc/69/58/37/447695837.db2.gz ZOHYTMMSKQNQOC-SJORKVTESA-N 1 3 334.464 1.357 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000457909035 447668571 /nfs/dbraw/zinc/66/85/71/447668571.db2.gz ZAQMAKWUQJIRFL-MRXNPFEDSA-N 1 3 340.512 1.395 20 0 EDADHO CC(C)(CC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000422623428 447675159 /nfs/dbraw/zinc/67/51/59/447675159.db2.gz VOAAMJSCXDENPS-QGZVFWFLSA-N 1 3 348.491 1.704 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422707871 447723040 /nfs/dbraw/zinc/72/30/40/447723040.db2.gz IFWCOIFIVNUDHE-DBVUQKKJSA-N 1 3 346.519 1.276 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C1 ZINC000417088377 447734087 /nfs/dbraw/zinc/73/40/87/447734087.db2.gz KHPHVHFVWLBQMC-KRWDZBQOSA-N 1 3 330.476 1.827 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221447 447737498 /nfs/dbraw/zinc/73/74/98/447737498.db2.gz NMPWCFGUDVBRKS-NVXWUHKLSA-N 1 3 334.464 1.357 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000458212148 447746655 /nfs/dbraw/zinc/74/66/55/447746655.db2.gz LWAHBTKLMZSDOY-HNNXBMFYSA-N 1 3 334.464 1.484 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccn1 ZINC000458212148 447746659 /nfs/dbraw/zinc/74/66/59/447746659.db2.gz LWAHBTKLMZSDOY-HNNXBMFYSA-N 1 3 334.464 1.484 20 0 EDADHO C[C@@H](NC[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000422800198 447753179 /nfs/dbraw/zinc/75/31/79/447753179.db2.gz ZNQJVRHCLNGNQB-YPMHNXCESA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)C1CNC1 ZINC000422800198 447753182 /nfs/dbraw/zinc/75/31/82/447753182.db2.gz ZNQJVRHCLNGNQB-YPMHNXCESA-N 1 3 332.366 1.934 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840859 447765803 /nfs/dbraw/zinc/76/58/03/447765803.db2.gz CGOZEOKMYPGGKY-ZWKOTPCHSA-N 1 3 333.476 1.564 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761891 /nfs/dbraw/zinc/76/18/91/447761891.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761895 /nfs/dbraw/zinc/76/18/95/447761895.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 1 3 341.496 1.678 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844354 447767526 /nfs/dbraw/zinc/76/75/26/447767526.db2.gz LNUTUQGFDYJAKX-FUHWJXTLSA-N 1 3 330.476 1.442 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844354 447767529 /nfs/dbraw/zinc/76/75/29/447767529.db2.gz LNUTUQGFDYJAKX-FUHWJXTLSA-N 1 3 330.476 1.442 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458318734 447768279 /nfs/dbraw/zinc/76/82/79/447768279.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458318734 447768282 /nfs/dbraw/zinc/76/82/82/447768282.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO CCOC(=O)[C@H]1NCC[C@H]1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970422 447784218 /nfs/dbraw/zinc/78/42/18/447784218.db2.gz WOAFYIYDLOFXKC-HIEASXQVSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H]1CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000430969567 447787725 /nfs/dbraw/zinc/78/77/25/447787725.db2.gz FQXFAKJYHVMLJP-YOEHRIQHSA-N 1 3 344.459 1.811 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1CNC1 ZINC000431019920 447788929 /nfs/dbraw/zinc/78/89/29/447788929.db2.gz UJKIJPIQDFXHGV-QGZVFWFLSA-N 1 3 331.460 1.345 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1CNC1 ZINC000431019920 447788931 /nfs/dbraw/zinc/78/89/31/447788931.db2.gz UJKIJPIQDFXHGV-QGZVFWFLSA-N 1 3 331.460 1.345 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423104868 447805881 /nfs/dbraw/zinc/80/58/81/447805881.db2.gz QJYHHOMEWNIGRG-GXTWGEPZSA-N 1 3 345.896 1.596 20 0 EDADHO CN(CC[NH2+][C@@H]1CCCCC[C@@H]1N)S(=O)(=O)c1ccc(F)cc1 ZINC000423105270 447806068 /nfs/dbraw/zinc/80/60/68/447806068.db2.gz YVCQMIXECGGWEO-JKSUJKDBSA-N 1 3 343.468 1.696 20 0 EDADHO CN1CC[C@H](NC(=O)NCCOCC[NH+](C)C)[C@@H]1c1ccccc1 ZINC000471635473 447806368 /nfs/dbraw/zinc/80/63/68/447806368.db2.gz KDDFKXUXTUSASG-IRXDYDNUSA-N 1 3 334.464 1.309 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522924903 447863881 /nfs/dbraw/zinc/86/38/81/447863881.db2.gz MNTLXTGBEYGQFY-MSOLQXFVSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522924903 447863885 /nfs/dbraw/zinc/86/38/85/447863885.db2.gz MNTLXTGBEYGQFY-MSOLQXFVSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000487330574 447829357 /nfs/dbraw/zinc/82/93/57/447829357.db2.gz FIYGMTKQZXZMMQ-HNNXBMFYSA-N 1 3 333.476 1.665 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000487330574 447829359 /nfs/dbraw/zinc/82/93/59/447829359.db2.gz FIYGMTKQZXZMMQ-HNNXBMFYSA-N 1 3 333.476 1.665 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761532 447890743 /nfs/dbraw/zinc/89/07/43/447890743.db2.gz WWUQMRHXKGHEBQ-LSDHHAIUSA-N 1 3 341.496 1.819 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761532 447890748 /nfs/dbraw/zinc/89/07/48/447890748.db2.gz WWUQMRHXKGHEBQ-LSDHHAIUSA-N 1 3 341.496 1.819 20 0 EDADHO C(CN1CCC(OCC[NH+]2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000525307480 447994785 /nfs/dbraw/zinc/99/47/85/447994785.db2.gz CBUUUBXKEVDOOP-SFHVURJKSA-N 1 3 326.481 1.759 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297369 448056376 /nfs/dbraw/zinc/05/63/76/448056376.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 1 3 331.460 1.081 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297369 448056378 /nfs/dbraw/zinc/05/63/78/448056378.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 1 3 331.460 1.081 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299904 448057842 /nfs/dbraw/zinc/05/78/42/448057842.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531299904 448057845 /nfs/dbraw/zinc/05/78/45/448057845.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 1 3 345.487 1.424 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000491903770 448148165 /nfs/dbraw/zinc/14/81/65/448148165.db2.gz AKDWIUJUBLKGSR-QBUQCISBSA-N 1 3 345.487 1.666 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515405918 448307959 /nfs/dbraw/zinc/30/79/59/448307959.db2.gz NKVXDRLWEHPFHK-SQNIBIBYSA-N 1 3 328.460 1.799 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515405918 448307963 /nfs/dbraw/zinc/30/79/63/448307963.db2.gz NKVXDRLWEHPFHK-SQNIBIBYSA-N 1 3 328.460 1.799 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000582600949 448285372 /nfs/dbraw/zinc/28/53/72/448285372.db2.gz KZXDFUFORFSGDJ-YESZJQIVSA-N 1 3 335.423 1.238 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000532733718 448303417 /nfs/dbraw/zinc/30/34/17/448303417.db2.gz ZNUNUDAKZKNJOU-UHFFFAOYSA-N 1 3 334.464 1.352 20 0 EDADHO CN(c1ccccc1CNC[C@H](O)[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000527757527 448354440 /nfs/dbraw/zinc/35/44/40/448354440.db2.gz KBOVGRWCGWIAEZ-PMACEKPBSA-N 1 3 347.503 1.847 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572410152 448372412 /nfs/dbraw/zinc/37/24/12/448372412.db2.gz PLYWEAXWXAUWRK-QUCCMNQESA-N 1 3 342.487 1.192 20 0 EDADHO CN(C)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1 ZINC000577962345 448428123 /nfs/dbraw/zinc/42/81/23/448428123.db2.gz RETBODRSBGMCLK-KRWDZBQOSA-N 1 3 347.438 1.617 20 0 EDADHO CCOC1CC(O)(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004852 448437091 /nfs/dbraw/zinc/43/70/91/448437091.db2.gz AVAYRFPNOHZSAL-ZPGGLAACSA-N 1 3 332.444 1.762 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283710 448475285 /nfs/dbraw/zinc/47/52/85/448475285.db2.gz CKLGYMNCWRIMLG-SFHVURJKSA-N 1 3 343.475 1.930 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCO1 ZINC000566786549 448559030 /nfs/dbraw/zinc/55/90/30/448559030.db2.gz QHPJXMAOPWJUAJ-MSOLQXFVSA-N 1 3 346.475 1.410 20 0 EDADHO Cc1cc(NC(=O)N2C[C@@H](C)NC[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000578422988 448540058 /nfs/dbraw/zinc/54/00/58/448540058.db2.gz SXZJHAGQZPNPLW-ZIAGYGMSSA-N 1 3 334.468 1.672 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000539418469 448611683 /nfs/dbraw/zinc/61/16/83/448611683.db2.gz AQXLZLVTJQXTJC-UHFFFAOYSA-N 1 3 332.492 1.852 20 0 EDADHO CN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850352 448651127 /nfs/dbraw/zinc/65/11/27/448651127.db2.gz PGMBVUKEJPPCFO-ABHNRTSZSA-N 1 3 346.475 1.409 20 0 EDADHO C[N@H+](CCOc1cccc(CNCCC(N)=O)c1)C1CCOCC1 ZINC000573675961 448685793 /nfs/dbraw/zinc/68/57/93/448685793.db2.gz FDPLLPHVBOJMFM-UHFFFAOYSA-N 1 3 335.448 1.141 20 0 EDADHO C[N@@H+](CCOc1cccc(CNCCC(N)=O)c1)C1CCOCC1 ZINC000573675961 448685795 /nfs/dbraw/zinc/68/57/95/448685795.db2.gz FDPLLPHVBOJMFM-UHFFFAOYSA-N 1 3 335.448 1.141 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C)CCC[NH+](C)C)c1 ZINC000541784514 448693827 /nfs/dbraw/zinc/69/38/27/448693827.db2.gz AGDCFFBLFXCNOB-UHFFFAOYSA-N 1 3 336.480 1.720 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358827 448762048 /nfs/dbraw/zinc/76/20/48/448762048.db2.gz HALAOZRGKUINJH-ARLBYUKCSA-N 1 3 334.489 1.477 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683662 448736928 /nfs/dbraw/zinc/73/69/28/448736928.db2.gz UKDDUSBFCCKTJW-RRFJBIMHSA-N 1 3 345.443 1.106 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683662 448736934 /nfs/dbraw/zinc/73/69/34/448736934.db2.gz UKDDUSBFCCKTJW-RRFJBIMHSA-N 1 3 345.443 1.106 20 0 EDADHO CCN1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529283577 448806275 /nfs/dbraw/zinc/80/62/75/448806275.db2.gz PMUYYSABPDKQEX-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000529309865 448816735 /nfs/dbraw/zinc/81/67/35/448816735.db2.gz YQZWDGPIFDWZAD-WMLDXEAASA-N 1 3 338.496 1.269 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000547463770 448883085 /nfs/dbraw/zinc/88/30/85/448883085.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 1 3 331.460 1.176 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000547463770 448883089 /nfs/dbraw/zinc/88/30/89/448883089.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 1 3 331.460 1.176 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493991 448862073 /nfs/dbraw/zinc/86/20/73/448862073.db2.gz YKQDSGXRERELLI-ARFHVFGLSA-N 1 3 338.496 1.568 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585094 448910627 /nfs/dbraw/zinc/91/06/27/448910627.db2.gz SLLYAXIKDURAEZ-NVXWUHKLSA-N 1 3 331.460 1.746 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585094 448910631 /nfs/dbraw/zinc/91/06/31/448910631.db2.gz SLLYAXIKDURAEZ-NVXWUHKLSA-N 1 3 331.460 1.746 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737656 449172313 /nfs/dbraw/zinc/17/23/13/449172313.db2.gz SFONIYYUCJLISL-ZMSDIMECSA-N 1 3 333.432 1.587 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H]1C ZINC000600683167 449490842 /nfs/dbraw/zinc/49/08/42/449490842.db2.gz SIHCVGLOMSEHLI-DARAHFNDSA-N 1 3 335.452 1.270 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000606699780 449510146 /nfs/dbraw/zinc/51/01/46/449510146.db2.gz VFTSJGWHGYNITC-MRXNPFEDSA-N 1 3 347.507 1.885 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000617505716 449651691 /nfs/dbraw/zinc/65/16/91/449651691.db2.gz NKPIKZWVKXKPCX-LPHOPBHVSA-N 1 3 335.492 1.368 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)Cc1ccccc1 ZINC000617505716 449651696 /nfs/dbraw/zinc/65/16/96/449651696.db2.gz NKPIKZWVKXKPCX-LPHOPBHVSA-N 1 3 335.492 1.368 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698801 449631070 /nfs/dbraw/zinc/63/10/70/449631070.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 1 3 330.476 1.752 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000594698801 449631077 /nfs/dbraw/zinc/63/10/77/449631077.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 1 3 330.476 1.752 20 0 EDADHO CCN(CCO)CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613582957 450234405 /nfs/dbraw/zinc/23/44/05/450234405.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 1 3 347.503 1.372 20 0 EDADHO CCN(CCO)CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613582957 450234413 /nfs/dbraw/zinc/23/44/13/450234413.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 1 3 347.503 1.372 20 0 EDADHO CN1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555751 450242824 /nfs/dbraw/zinc/24/28/24/450242824.db2.gz FURDSFKEYFRPNA-HNNXBMFYSA-N 1 3 340.537 1.741 20 0 EDADHO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000616703358 450464040 /nfs/dbraw/zinc/46/40/40/450464040.db2.gz VHDFNZBQOHBFON-IPMKNSEASA-N 1 3 343.471 1.143 20 0 EDADHO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000616703360 450464170 /nfs/dbraw/zinc/46/41/70/450464170.db2.gz VHDFNZBQOHBFON-OTWHNJEPSA-N 1 3 343.471 1.143 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227708 450458804 /nfs/dbraw/zinc/45/88/04/450458804.db2.gz ZNZDIUZCFFQZMM-YCPHGPKFSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227708 450458807 /nfs/dbraw/zinc/45/88/07/450458807.db2.gz ZNZDIUZCFFQZMM-YCPHGPKFSA-N 1 3 335.496 1.464 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CCCC2)CCO1 ZINC000620971384 450567505 /nfs/dbraw/zinc/56/75/05/450567505.db2.gz HYJRDNVHNWEGNS-MSOLQXFVSA-N 1 3 337.508 1.963 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000633031349 450626502 /nfs/dbraw/zinc/62/65/02/450626502.db2.gz KAFMLIBAGANDPV-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ccc2ncc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510313 450721076 /nfs/dbraw/zinc/72/10/76/450721076.db2.gz BZUFCXBRUXOBCI-MRXNPFEDSA-N 1 3 326.444 1.830 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577121 450746101 /nfs/dbraw/zinc/74/61/01/450746101.db2.gz PYETTWLAVCSUGC-UXHICEINSA-N 1 3 331.504 1.943 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652276 450816766 /nfs/dbraw/zinc/81/67/66/450816766.db2.gz XRSFRPHYMITVPB-INIZCTEOSA-N 1 3 325.497 1.772 20 0 EDADHO [NH3+]Cc1ccc2c(c1)N(CC(=O)NC1CCN(C3CC3)CC1)CCO2 ZINC000631831257 450802489 /nfs/dbraw/zinc/80/24/89/450802489.db2.gz XRQIOAPPANNEKB-UHFFFAOYSA-N 1 3 344.459 1.087 20 0 EDADHO [NH3+][C@H](CCNS(=O)(=O)CCCN1CCCC1)Cc1ccccc1 ZINC000631965061 450924213 /nfs/dbraw/zinc/92/42/13/450924213.db2.gz RYYCQKYSPGKWRC-QGZVFWFLSA-N 1 3 339.505 1.352 20 0 EDADHO CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000626923056 451006380 /nfs/dbraw/zinc/00/63/80/451006380.db2.gz KHCZALYLULWDKU-YPMHNXCESA-N 1 3 336.402 1.639 20 0 EDADHO CN(CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626947124 451025465 /nfs/dbraw/zinc/02/54/65/451025465.db2.gz LVVHXSBRTBSROJ-KDURUIRLSA-N 1 3 330.476 1.759 20 0 EDADHO CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551018 451046447 /nfs/dbraw/zinc/04/64/47/451046447.db2.gz JUPJPFZDZFHKDL-ARFHVFGLSA-N 1 3 331.464 1.140 20 0 EDADHO CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551018 451046452 /nfs/dbraw/zinc/04/64/52/451046452.db2.gz JUPJPFZDZFHKDL-ARFHVFGLSA-N 1 3 331.464 1.140 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCC2([NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000627039299 451096227 /nfs/dbraw/zinc/09/62/27/451096227.db2.gz URWMAYSETXYVGY-NVXWUHKLSA-N 1 3 346.475 1.457 20 0 EDADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000627072052 451111983 /nfs/dbraw/zinc/11/19/83/451111983.db2.gz YDDQMXAJUFHOKZ-IAGOWNOFSA-N 1 3 334.464 1.176 20 0 EDADHO CCN(C(=O)NCCOCC[NH2+]C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000627174849 451164477 /nfs/dbraw/zinc/16/44/77/451164477.db2.gz TWDGEJIJTCICNP-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO CN(CC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)CC(C)(C)C ZINC000635723181 451199535 /nfs/dbraw/zinc/19/95/35/451199535.db2.gz ZDIZTJOJMXAXOQ-ARFHVFGLSA-N 1 3 325.497 1.674 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)CC1 ZINC000634194442 451231044 /nfs/dbraw/zinc/23/10/44/451231044.db2.gz RWMGJQLGACIPQC-UHFFFAOYSA-N 1 3 345.491 1.892 20 0 EDADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370073 451232435 /nfs/dbraw/zinc/23/24/35/451232435.db2.gz VFRGFCRTWBMEAR-HZPDHXFCSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370073 451232440 /nfs/dbraw/zinc/23/24/40/451232440.db2.gz VFRGFCRTWBMEAR-HZPDHXFCSA-N 1 3 347.507 1.828 20 0 EDADHO O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634261223 451256642 /nfs/dbraw/zinc/25/66/42/451256642.db2.gz ZBYYJLBZFKDRPR-PKOBYXMFSA-N 1 3 346.475 1.065 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)C1 ZINC000638099534 451265288 /nfs/dbraw/zinc/26/52/88/451265288.db2.gz HESJAYSZGHPFNT-UYAOXDASSA-N 1 3 345.487 1.876 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927429 451370628 /nfs/dbraw/zinc/37/06/28/451370628.db2.gz NOFUHVYPLMJVCO-DLBZAZTESA-N 1 3 341.496 1.057 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000638273404 451392052 /nfs/dbraw/zinc/39/20/52/451392052.db2.gz IXZMYYSIRAKMAH-UYAOXDASSA-N 1 3 348.487 1.784 20 0 EDADHO O=C1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCN1 ZINC000638274993 451394142 /nfs/dbraw/zinc/39/41/42/451394142.db2.gz RIJHCHCSQGYDCS-KRWDZBQOSA-N 1 3 331.460 1.402 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636048357 451465359 /nfs/dbraw/zinc/46/53/59/451465359.db2.gz VIQJAWCZNHWCEX-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636048357 451465364 /nfs/dbraw/zinc/46/53/64/451465364.db2.gz VIQJAWCZNHWCEX-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCCCN3C)CC2)CC1 ZINC000636054120 451469810 /nfs/dbraw/zinc/46/98/10/451469810.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386585 451479522 /nfs/dbraw/zinc/47/95/22/451479522.db2.gz NPLQHVAPLGKITD-JYJNAYRXSA-N 1 3 325.497 1.709 20 0 EDADHO O[C@]1(CNCCOC[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704567 451480994 /nfs/dbraw/zinc/48/09/94/451480994.db2.gz MFAMGWGPGUDECO-MOPGFXCFSA-N 1 3 334.460 1.409 20 0 EDADHO O[C@]1(CNCCOC[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704567 451480998 /nfs/dbraw/zinc/48/09/98/451480998.db2.gz MFAMGWGPGUDECO-MOPGFXCFSA-N 1 3 334.460 1.409 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCN1C ZINC000636847542 451552494 /nfs/dbraw/zinc/55/24/94/451552494.db2.gz VFFPYKPIRMRIQK-KBPBESRZSA-N 1 3 334.468 1.754 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000638555391 451574955 /nfs/dbraw/zinc/57/49/55/451574955.db2.gz IBGZDGJGOZUIMG-KXUCPTDWSA-N 1 3 329.313 1.217 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000636910025 451599657 /nfs/dbraw/zinc/59/96/57/451599657.db2.gz YMJKIKVRBVKRCB-RDJZCZTQSA-N 1 3 348.491 1.824 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000636910025 451599662 /nfs/dbraw/zinc/59/96/62/451599662.db2.gz YMJKIKVRBVKRCB-RDJZCZTQSA-N 1 3 348.491 1.824 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634952793 451621766 /nfs/dbraw/zinc/62/17/66/451621766.db2.gz JHACVRIHBQRXJJ-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO NC1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000638779697 451688374 /nfs/dbraw/zinc/68/83/74/451688374.db2.gz LVOWNEZTWIJVLE-GOSISDBHSA-N 1 3 343.471 1.100 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1(C)C ZINC000638977324 451744321 /nfs/dbraw/zinc/74/43/21/451744321.db2.gz KUDPUBPGLUGYDB-MAUKXSAKSA-N 1 3 349.479 1.621 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(CC)([NH+](C)C)CC2)C1(C)C ZINC000638976108 451744354 /nfs/dbraw/zinc/74/43/54/451744354.db2.gz UCCANMACRCPBHB-KDOFPFPSSA-N 1 3 325.497 1.852 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000638977467 451744595 /nfs/dbraw/zinc/74/45/95/451744595.db2.gz SPEPWIUKCRUBLR-VQTJNVASSA-N 1 3 348.487 1.784 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020392 451753126 /nfs/dbraw/zinc/75/31/26/451753126.db2.gz FGVSGLPAGGALLS-IPMKNSEASA-N 1 3 342.487 1.894 20 0 EDADHO CCO[C@@H]1C[C@@H](NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@]12CCCO2 ZINC000639116225 451771625 /nfs/dbraw/zinc/77/16/25/451771625.db2.gz CPDDZWHQNOCGAN-BSDSXHPESA-N 1 3 326.481 1.804 20 0 EDADHO CCO[C@@H]1C[C@@H](NCCC[N@H+]2CCCO[C@@H](C)C2)[C@]12CCCO2 ZINC000639116225 451771626 /nfs/dbraw/zinc/77/16/26/451771626.db2.gz CPDDZWHQNOCGAN-BSDSXHPESA-N 1 3 326.481 1.804 20 0 EDADHO O[C@@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)C1 ZINC000641229644 451790850 /nfs/dbraw/zinc/79/08/50/451790850.db2.gz LHQPBZDNJHEYLN-IBGZPJMESA-N 1 3 341.459 1.382 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330055 451790989 /nfs/dbraw/zinc/79/09/89/451790989.db2.gz RXGCSTTZQRYAOI-SFHVURJKSA-N 1 3 345.491 1.830 20 0 EDADHO c1nc(CNCC2CC[NH+](C3CCOCC3)CC2)cc2c1OCCO2 ZINC000639302468 451816556 /nfs/dbraw/zinc/81/65/56/451816556.db2.gz FKKUOOVOTGQBGV-UHFFFAOYSA-N 1 3 347.459 1.833 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)Cc2ccccc2)CC1 ZINC000644556803 451857434 /nfs/dbraw/zinc/85/74/34/451857434.db2.gz FPZUZBPTVWNIJC-GOSISDBHSA-N 1 3 333.476 1.122 20 0 EDADHO CC(=O)NC[C@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639460547 451880168 /nfs/dbraw/zinc/88/01/68/451880168.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 1 3 345.487 1.472 20 0 EDADHO CC(=O)NC[C@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639460547 451880174 /nfs/dbraw/zinc/88/01/74/451880174.db2.gz JIMUADCOJFYAKZ-WOJBJXKFSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 ZINC000646851743 451888740 /nfs/dbraw/zinc/88/87/40/451888740.db2.gz ZZWHLKOFKMIVDP-LESCRADOSA-N 1 3 349.450 1.612 20 0 EDADHO OCCCOC1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639514213 451917392 /nfs/dbraw/zinc/91/73/92/451917392.db2.gz COOMGPSSOOBSBQ-HXUWFJFHSA-N 1 3 348.487 1.487 20 0 EDADHO OCCCOC1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639514213 451917394 /nfs/dbraw/zinc/91/73/94/451917394.db2.gz COOMGPSSOOBSBQ-HXUWFJFHSA-N 1 3 348.487 1.487 20 0 EDADHO Cn1ccnc1[C@@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639566214 451947326 /nfs/dbraw/zinc/94/73/26/451947326.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 1 3 340.471 1.846 20 0 EDADHO Cn1ccnc1[C@@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639566214 451947331 /nfs/dbraw/zinc/94/73/31/451947331.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 1 3 340.471 1.846 20 0 EDADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000649287948 451961996 /nfs/dbraw/zinc/96/19/96/451961996.db2.gz SDAKKMIIDOJZNY-AWEZNQCLSA-N 1 3 327.375 1.810 20 0 EDADHO CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649300806 451977799 /nfs/dbraw/zinc/97/77/99/451977799.db2.gz PGMCOBWWCSLPSP-ROUUACIJSA-N 1 3 331.460 1.345 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303975 451979917 /nfs/dbraw/zinc/97/99/17/451979917.db2.gz WOTZFGLGRRJTQZ-RBUKOAKNSA-N 1 3 345.487 1.812 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308868 451986499 /nfs/dbraw/zinc/98/64/99/451986499.db2.gz DIKZHSNGLDTSBC-HUUCEWRRSA-N 1 3 337.489 1.312 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000646990114 451991000 /nfs/dbraw/zinc/99/10/00/451991000.db2.gz LHVZOGOMXUPJBW-GOSISDBHSA-N 1 3 331.460 1.699 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649315205 451995138 /nfs/dbraw/zinc/99/51/38/451995138.db2.gz UXQVCSWQWFYJNH-AWEZNQCLSA-N 1 3 332.448 1.367 20 0 EDADHO CN1CC[C@@](N)(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000649319665 451997776 /nfs/dbraw/zinc/99/77/76/451997776.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 1 3 344.503 1.390 20 0 EDADHO CN1CC[C@@](N)(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000649319665 451997779 /nfs/dbraw/zinc/99/77/79/451997779.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000649329684 452009740 /nfs/dbraw/zinc/00/97/40/452009740.db2.gz BRUDYMXBLSBOLW-DBDQLMEASA-N 1 3 327.472 1.963 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(F)c1F ZINC000637683935 452018076 /nfs/dbraw/zinc/01/80/76/452018076.db2.gz UJQGKDJSGRXEIX-UHFFFAOYSA-N 1 3 328.407 1.600 20 0 EDADHO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000649374286 452048997 /nfs/dbraw/zinc/04/89/97/452048997.db2.gz FKOKNTXQUAZSHU-INIZCTEOSA-N 1 3 333.480 1.165 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC(=O)N2CCNCC2)C1 ZINC000649413807 452076556 /nfs/dbraw/zinc/07/65/56/452076556.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)N2CCNCC2)C1 ZINC000649413807 452076564 /nfs/dbraw/zinc/07/65/64/452076564.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000649413807 452076569 /nfs/dbraw/zinc/07/65/69/452076569.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000649413807 452076576 /nfs/dbraw/zinc/07/65/76/452076576.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418225 452080534 /nfs/dbraw/zinc/08/05/34/452080534.db2.gz LCZMXBXGIYKPAE-NUJGCVRESA-N 1 3 345.491 1.627 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000637808020 452093394 /nfs/dbraw/zinc/09/33/94/452093394.db2.gz SYYSPHCIFOJKGA-KRWDZBQOSA-N 1 3 332.492 1.614 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CCCC[NH2+]3)ccc2[nH]c1=O ZINC000637815239 452097976 /nfs/dbraw/zinc/09/79/76/452097976.db2.gz GCNCVDGZICPDHF-CQSZACIVSA-N 1 3 345.447 1.175 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762178 452100428 /nfs/dbraw/zinc/10/04/28/452100428.db2.gz HHJGBFNZEOARDP-LPHOPBHVSA-N 1 3 339.524 1.660 20 0 EDADHO COc1cccc(CNC(=O)CN2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639762442 452101246 /nfs/dbraw/zinc/10/12/46/452101246.db2.gz LFDRUWCGJMVYNB-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833338 452106607 /nfs/dbraw/zinc/10/66/07/452106607.db2.gz RZEGMGHBCXCMEE-ROUUACIJSA-N 1 3 326.444 1.262 20 0 EDADHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000641623179 452143065 /nfs/dbraw/zinc/14/30/65/452143065.db2.gz GANWIQPRIZYHJW-IRXDYDNUSA-N 1 3 345.553 1.854 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816161 452150027 /nfs/dbraw/zinc/15/00/27/452150027.db2.gz CODJYGZPKRYRLT-SFHVURJKSA-N 1 3 334.512 1.721 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816161 452150034 /nfs/dbraw/zinc/15/00/34/452150034.db2.gz CODJYGZPKRYRLT-SFHVURJKSA-N 1 3 334.512 1.721 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@@H]21 ZINC000641786322 452260319 /nfs/dbraw/zinc/26/03/19/452260319.db2.gz MALJFDMRGDWOTA-SPUZQDLCSA-N 1 3 328.460 1.642 20 0 EDADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663555678 452265596 /nfs/dbraw/zinc/26/55/96/452265596.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO CN1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000663555678 452265608 /nfs/dbraw/zinc/26/56/08/452265608.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659457748 452310227 /nfs/dbraw/zinc/31/02/27/452310227.db2.gz KFFATODAFKORKV-ROUUACIJSA-N 1 3 334.508 1.892 20 0 EDADHO CC1([NH+]2CCCC2)CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000639981901 452315652 /nfs/dbraw/zinc/31/56/52/452315652.db2.gz VUDHUQURLCZEFS-UHFFFAOYSA-N 1 3 348.535 1.680 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000665758258 452328822 /nfs/dbraw/zinc/32/88/22/452328822.db2.gz CRBWJAJKYVYWEC-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC[C@@H]1O ZINC000665758258 452328834 /nfs/dbraw/zinc/32/88/34/452328834.db2.gz CRBWJAJKYVYWEC-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000665761839 452335221 /nfs/dbraw/zinc/33/52/21/452335221.db2.gz RDZHOFFHFUGGTG-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000665761839 452335231 /nfs/dbraw/zinc/33/52/31/452335231.db2.gz RDZHOFFHFUGGTG-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665760879 452336130 /nfs/dbraw/zinc/33/61/30/452336130.db2.gz QZCSNHLBRBIHPX-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665760879 452336138 /nfs/dbraw/zinc/33/61/38/452336138.db2.gz QZCSNHLBRBIHPX-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652163322 452358016 /nfs/dbraw/zinc/35/80/16/452358016.db2.gz INDKKGVEWGPEAV-UHFFFAOYSA-N 1 3 340.512 1.565 20 0 EDADHO O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cnc4cnccn34)cc2)C1 ZINC000657593995 452360745 /nfs/dbraw/zinc/36/07/45/452360745.db2.gz GDTPOIJAHIOROM-GOSISDBHSA-N 1 3 337.427 1.586 20 0 EDADHO O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3cnc4cnccn34)cc2)C1 ZINC000657593995 452360753 /nfs/dbraw/zinc/36/07/53/452360753.db2.gz GDTPOIJAHIOROM-GOSISDBHSA-N 1 3 337.427 1.586 20 0 EDADHO CCN[C@H](C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000638064695 452364860 /nfs/dbraw/zinc/36/48/60/452364860.db2.gz OCGJAWSVGSIPQT-CQSZACIVSA-N 1 3 334.464 1.695 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064252 452365250 /nfs/dbraw/zinc/36/52/50/452365250.db2.gz KPMVRDLMPSNFFU-XYJFISCASA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000659524889 452388978 /nfs/dbraw/zinc/38/89/78/452388978.db2.gz WQBCIJVFFRJINC-KDOFPFPSSA-N 1 3 346.475 1.759 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659554385 452411408 /nfs/dbraw/zinc/41/14/08/452411408.db2.gz MQZHWIZLCCLWES-QZTJIDSGSA-N 1 3 345.491 1.720 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000645452533 452422337 /nfs/dbraw/zinc/42/23/37/452422337.db2.gz QSUFNPUVKBXAAX-GOSISDBHSA-N 1 3 344.503 1.309 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659575147 452429154 /nfs/dbraw/zinc/42/91/54/452429154.db2.gz UTKXSFGVKLVDFN-UHFFFAOYSA-N 1 3 333.436 1.193 20 0 EDADHO CN(CCOc1ccccc1Br)CCN1CC[NH2+]CC1 ZINC000647836225 452573835 /nfs/dbraw/zinc/57/38/35/452573835.db2.gz RKXKECBOPRAYQI-UHFFFAOYSA-N 1 3 342.281 1.665 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655914815 452675576 /nfs/dbraw/zinc/67/55/76/452675576.db2.gz OZDYFXKBAFVHAL-CYBMUJFWSA-N 1 3 348.369 1.316 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978623 452723785 /nfs/dbraw/zinc/72/37/85/452723785.db2.gz WAZIHFQLTIUNEB-ZWKOTPCHSA-N 1 3 339.524 1.877 20 0 EDADHO CC(=O)NC1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000658135320 452746383 /nfs/dbraw/zinc/74/63/83/452746383.db2.gz DDVDFXJNDQTDES-SOAGJPPSSA-N 1 3 345.487 1.790 20 0 EDADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCCCO1 ZINC000654720594 452835309 /nfs/dbraw/zinc/83/53/09/452835309.db2.gz XZAMXCXFJMBLSI-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@@H]1CN(CCN2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000659975192 452880516 /nfs/dbraw/zinc/88/05/16/452880516.db2.gz VNKDHFPFHKOUHM-QZTJIDSGSA-N 1 3 339.524 1.672 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc12 ZINC000650706302 452943116 /nfs/dbraw/zinc/94/31/16/452943116.db2.gz IEHLYFHTTFINCF-BQFCYCMXSA-N 1 3 343.475 1.995 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000650720959 452950851 /nfs/dbraw/zinc/95/08/51/452950851.db2.gz JPLYXKFWYWNWRE-RDJZCZTQSA-N 1 3 330.476 1.590 20 0 EDADHO Cc1nccn1CCN1CC[N@@H+](CCn2ccnc2C)[C@@H](C)[C@@H]1C ZINC000662222650 452955832 /nfs/dbraw/zinc/95/58/32/452955832.db2.gz HECFWPWONAJANH-HOTGVXAUSA-N 1 3 330.480 1.791 20 0 EDADHO Cc1nccn1CCN1CC[N@H+](CCn2ccnc2C)[C@@H](C)[C@@H]1C ZINC000662222650 452955836 /nfs/dbraw/zinc/95/58/36/452955836.db2.gz HECFWPWONAJANH-HOTGVXAUSA-N 1 3 330.480 1.791 20 0 EDADHO C[C@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664329042 453002209 /nfs/dbraw/zinc/00/22/09/453002209.db2.gz USGSCYQMOVFNSO-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664329042 453002219 /nfs/dbraw/zinc/00/22/19/453002219.db2.gz USGSCYQMOVFNSO-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO CC[C@H](CC(F)F)CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280932 453003640 /nfs/dbraw/zinc/00/36/40/453003640.db2.gz IEUMPMYXNXYMAH-SNPRPXQTSA-N 1 3 344.450 1.888 20 0 EDADHO Cn1cc(N2CC[C@@H](N3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292272 453014070 /nfs/dbraw/zinc/01/40/70/453014070.db2.gz CVAHYHYKCWDOKI-DOTOQJQBSA-N 1 3 331.464 1.237 20 0 EDADHO Cn1cc(N2CCC[C@@H](N3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292321 453014793 /nfs/dbraw/zinc/01/47/93/453014793.db2.gz DMWXVMJFQLDGDY-SJLPKXTDSA-N 1 3 345.491 1.627 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000646042220 453044354 /nfs/dbraw/zinc/04/43/54/453044354.db2.gz YADYNEVPWVDVLT-QGZVFWFLSA-N 1 3 349.450 1.783 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000662337230 453053795 /nfs/dbraw/zinc/05/37/95/453053795.db2.gz KIPMMGFURXETOH-IAGOWNOFSA-N 1 3 347.507 1.958 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000662337230 453053804 /nfs/dbraw/zinc/05/38/04/453053804.db2.gz KIPMMGFURXETOH-IAGOWNOFSA-N 1 3 347.507 1.958 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644124761 453063866 /nfs/dbraw/zinc/06/38/66/453063866.db2.gz PJZVFSCXAXKCHL-HNNXBMFYSA-N 1 3 343.393 1.961 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666702044 453079433 /nfs/dbraw/zinc/07/94/33/453079433.db2.gz PPZXUQMOILALGH-RBSFLKMASA-N 1 3 346.475 1.566 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C1 ZINC000662463313 453172028 /nfs/dbraw/zinc/17/20/28/453172028.db2.gz YDRCICNTKKZWDY-HKUYNNGSSA-N 1 3 342.487 1.459 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C1 ZINC000662463313 453172038 /nfs/dbraw/zinc/17/20/38/453172038.db2.gz YDRCICNTKKZWDY-HKUYNNGSSA-N 1 3 342.487 1.459 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666975411 453291915 /nfs/dbraw/zinc/29/19/15/453291915.db2.gz OMWNSPRODGJBKA-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)N2CCCC2)cc1 ZINC000653113625 453302201 /nfs/dbraw/zinc/30/22/01/453302201.db2.gz JFPCSUZPNIMPHH-NSHGMRRFSA-N 1 3 343.471 1.484 20 0 EDADHO [NH3+]C/C=C\CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000666990258 453314913 /nfs/dbraw/zinc/31/49/13/453314913.db2.gz IEDIPENDNBOAHP-UPHRSURJSA-N 1 3 334.489 1.914 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCO1 ZINC000664756998 453379998 /nfs/dbraw/zinc/37/99/98/453379998.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCO1 ZINC000664756998 453380007 /nfs/dbraw/zinc/38/00/07/453380007.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662679611 453399839 /nfs/dbraw/zinc/39/98/39/453399839.db2.gz ATWWEDXSFANPFG-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681007 453400718 /nfs/dbraw/zinc/40/07/18/453400718.db2.gz RNNARXSLWUGJFN-GJZGRUSLSA-N 1 3 334.468 1.054 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000662683269 453405056 /nfs/dbraw/zinc/40/50/56/453405056.db2.gz PZODCWBCEQXUAM-WUJZJPHMSA-N 1 3 331.435 1.987 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000667138254 453429713 /nfs/dbraw/zinc/42/97/13/453429713.db2.gz ZJNCWPRODMWHGE-CVEARBPZSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000667156368 453444499 /nfs/dbraw/zinc/44/44/99/453444499.db2.gz JGJPWFZJISTTOQ-JKSUJKDBSA-N 1 3 348.495 1.688 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662730536 453457849 /nfs/dbraw/zinc/45/78/49/453457849.db2.gz IKYNOVBGXARMRB-INIZCTEOSA-N 1 3 332.448 1.449 20 0 EDADHO Cc1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])ccc1OCCN1CCCC1 ZINC000662739686 453464018 /nfs/dbraw/zinc/46/40/18/453464018.db2.gz PAZJFJUJWVWFJM-WMZOPIPTSA-N 1 3 347.459 1.772 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000660704525 453530218 /nfs/dbraw/zinc/53/02/18/453530218.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 1 3 334.508 1.892 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CCN(CC2CC2)C1 ZINC000660704525 453530223 /nfs/dbraw/zinc/53/02/23/453530223.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 1 3 334.508 1.892 20 0 EDADHO CCN1CCC(n2nccc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443496 453530486 /nfs/dbraw/zinc/53/04/86/453530486.db2.gz WGQDHDAPJDBJPT-YJBOKZPZSA-N 1 3 331.464 1.868 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445289 453531648 /nfs/dbraw/zinc/53/16/48/453531648.db2.gz PHUXHYUIYCIQCS-RDJZCZTQSA-N 1 3 337.533 1.854 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662816855 453548660 /nfs/dbraw/zinc/54/86/60/453548660.db2.gz QDVNIJLNESISKG-VQIMIIECSA-N 1 3 343.471 1.691 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662822083 453551144 /nfs/dbraw/zinc/55/11/44/453551144.db2.gz IASFETSYGQUDTC-MSOLQXFVSA-N 1 3 346.475 1.510 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829806 453592762 /nfs/dbraw/zinc/59/27/62/453592762.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829806 453592768 /nfs/dbraw/zinc/59/27/68/453592768.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 1 3 339.528 1.042 20 0 EDADHO CN(C(=O)[C@H](N)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901045 453595299 /nfs/dbraw/zinc/59/52/99/453595299.db2.gz SDQZPZMYUQLRLY-ZWKOTPCHSA-N 1 3 330.476 1.313 20 0 EDADHO CN(C(=O)[C@H](N)c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662901045 453595300 /nfs/dbraw/zinc/59/53/00/453595300.db2.gz SDQZPZMYUQLRLY-ZWKOTPCHSA-N 1 3 330.476 1.313 20 0 EDADHO CN(C(=O)[C@H](N)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901045 453595303 /nfs/dbraw/zinc/59/53/03/453595303.db2.gz SDQZPZMYUQLRLY-ZWKOTPCHSA-N 1 3 330.476 1.313 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660851318 453609125 /nfs/dbraw/zinc/60/91/25/453609125.db2.gz YHVLMTYOAWHWEL-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660851318 453609128 /nfs/dbraw/zinc/60/91/28/453609128.db2.gz YHVLMTYOAWHWEL-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665409363 453684391 /nfs/dbraw/zinc/68/43/91/453684391.db2.gz FGQJCEMUGUERAT-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665409363 453684393 /nfs/dbraw/zinc/68/43/93/453684393.db2.gz FGQJCEMUGUERAT-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416841 453784241 /nfs/dbraw/zinc/78/42/41/453784241.db2.gz XTACPZDHOJUWET-BZSNNMDCSA-N 1 3 333.476 1.433 20 0 EDADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000663397359 453788749 /nfs/dbraw/zinc/78/87/49/453788749.db2.gz ARCOBOZMOZGZQS-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000663397359 453788752 /nfs/dbraw/zinc/78/87/52/453788752.db2.gz ARCOBOZMOZGZQS-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cnc(N(C)C)s2)CC1 ZINC000663503440 453811269 /nfs/dbraw/zinc/81/12/69/453811269.db2.gz HXBVPFYZUFAMOD-UHFFFAOYSA-N 1 3 339.509 1.289 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000683378025 486700565 /nfs/dbraw/zinc/70/05/65/486700565.db2.gz DJLRFQOFZOSPLM-SJORKVTESA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271317 486775745 /nfs/dbraw/zinc/77/57/45/486775745.db2.gz HVMJMMJLKYSCIO-LHUBUQBQSA-N 1 3 343.537 1.699 20 0 EDADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271317 486775750 /nfs/dbraw/zinc/77/57/50/486775750.db2.gz HVMJMMJLKYSCIO-LHUBUQBQSA-N 1 3 343.537 1.699 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000672753962 486790549 /nfs/dbraw/zinc/79/05/49/486790549.db2.gz DBFKUSJTFCGKGS-DOTOQJQBSA-N 1 3 334.464 1.691 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753962 486790551 /nfs/dbraw/zinc/79/05/51/486790551.db2.gz DBFKUSJTFCGKGS-DOTOQJQBSA-N 1 3 334.464 1.691 20 0 EDADHO C[NH2+]CCN(C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417331037 486797150 /nfs/dbraw/zinc/79/71/50/486797150.db2.gz LMBYADRBFHCZAK-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO CCn1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000667700085 486920855 /nfs/dbraw/zinc/92/08/55/486920855.db2.gz RDJPHGTUXAXXGY-HNNXBMFYSA-N 1 3 336.484 1.783 20 0 EDADHO CCn1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)n1 ZINC000667700085 486920859 /nfs/dbraw/zinc/92/08/59/486920859.db2.gz RDJPHGTUXAXXGY-HNNXBMFYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320739236 486957128 /nfs/dbraw/zinc/95/71/28/486957128.db2.gz LSDSADPFLGBZPV-HNNXBMFYSA-N 1 3 329.366 1.906 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000667811228 486977079 /nfs/dbraw/zinc/97/70/79/486977079.db2.gz GXEQUPCLWBRISN-BRWVUGGUSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000667811228 486977083 /nfs/dbraw/zinc/97/70/83/486977083.db2.gz GXEQUPCLWBRISN-BRWVUGGUSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ncnc2[nH]ccc21 ZINC000667811685 486977200 /nfs/dbraw/zinc/97/72/00/486977200.db2.gz SHVOQOUMZCXWNE-AWEZNQCLSA-N 1 3 344.463 1.398 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ncnc2[nH]ccc21 ZINC000667811685 486977205 /nfs/dbraw/zinc/97/72/05/486977205.db2.gz SHVOQOUMZCXWNE-AWEZNQCLSA-N 1 3 344.463 1.398 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812752 486978388 /nfs/dbraw/zinc/97/83/88/486978388.db2.gz VXFHUKWUIKRLLN-KRWDZBQOSA-N 1 3 348.491 1.507 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812752 486978391 /nfs/dbraw/zinc/97/83/91/486978391.db2.gz VXFHUKWUIKRLLN-KRWDZBQOSA-N 1 3 348.491 1.507 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000673673816 487088373 /nfs/dbraw/zinc/08/83/73/487088373.db2.gz YDCSYFVJUBGHON-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000673982756 487176518 /nfs/dbraw/zinc/17/65/18/487176518.db2.gz OCANUKFZICVJTA-GOEBONIOSA-N 1 3 328.526 1.596 20 0 EDADHO COc1ccc([C@@H]2C[C@H]2C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000668302312 485580702 /nfs/dbraw/zinc/58/07/02/485580702.db2.gz DUKVJMOQLAXSMO-ZWKOTPCHSA-N 1 3 333.476 1.751 20 0 EDADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669581527 485628010 /nfs/dbraw/zinc/62/80/10/485628010.db2.gz YUWCQTGNCWGLRF-XWTMOSNGSA-N 1 3 342.487 1.804 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000673866110 485847092 /nfs/dbraw/zinc/84/70/92/485847092.db2.gz TYUZMXFBYGOXAR-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CN(c1ccccc1CN1CCC(O)(CO)CC1)C1CC[NH+](C)CC1 ZINC000668548259 485880096 /nfs/dbraw/zinc/88/00/96/485880096.db2.gz HUMXWEJRSJWXCN-UHFFFAOYSA-N 1 3 347.503 1.536 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000669397650 486056440 /nfs/dbraw/zinc/05/64/40/486056440.db2.gz VJYDWAPASLVICO-INIZCTEOSA-N 1 3 333.480 1.235 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000669429688 486150903 /nfs/dbraw/zinc/15/09/03/486150903.db2.gz YLJPEZHHWVRHGA-CABCVRRESA-N 1 3 336.505 1.950 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCO1 ZINC000669483071 486248250 /nfs/dbraw/zinc/24/82/50/486248250.db2.gz NCEJEELBBIHFRX-JQHSSLGASA-N 1 3 346.475 1.409 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669498378 486274361 /nfs/dbraw/zinc/27/43/61/486274361.db2.gz KAMGEAWHAABFHY-IAGOWNOFSA-N 1 3 340.512 1.376 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC000668490921 491180268 /nfs/dbraw/zinc/18/02/68/491180268.db2.gz IWVFKVCQTYCABT-SZMVWBNQSA-N 1 3 346.475 1.581 20 0 EDADHO CC(=O)NCCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000132837648 526744602 /nfs/dbraw/zinc/74/46/02/526744602.db2.gz HMGIFJQVUDFYLP-UHFFFAOYSA-N 1 3 332.492 1.833 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H]1CNCCO1 ZINC000166342453 528125021 /nfs/dbraw/zinc/12/50/21/528125021.db2.gz DXPLUJZJYNVSJG-GOSISDBHSA-N 1 3 333.476 1.736 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@H]1CCCN1C1CCOCC1)C(C)C ZINC000153450162 528906029 /nfs/dbraw/zinc/90/60/29/528906029.db2.gz GFSXGWUEDLZCHW-QGZVFWFLSA-N 1 3 325.497 1.865 20 0 EDADHO CC[C@@H](C)[C@H]1CCCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056735 578478068 /nfs/dbraw/zinc/47/80/68/578478068.db2.gz QAOSMSPWFRXGJI-HUUCEWRRSA-N 1 3 336.480 1.861 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000734276906 578804454 /nfs/dbraw/zinc/80/44/54/578804454.db2.gz UBEQGSPJMWWQEB-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C1CC1 ZINC000734276906 578804455 /nfs/dbraw/zinc/80/44/55/578804455.db2.gz UBEQGSPJMWWQEB-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000758456564 579982908 /nfs/dbraw/zinc/98/29/08/579982908.db2.gz TUIREELXNSWGIR-OIISXLGYSA-N 1 3 338.496 1.221 20 0 EDADHO CN(CCC[NH+](C)C)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000758494154 579984037 /nfs/dbraw/zinc/98/40/37/579984037.db2.gz OVBYMUGWGJIGJQ-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C(F)F)C1 ZINC000768709393 580218804 /nfs/dbraw/zinc/21/88/04/580218804.db2.gz PFTKGFAQLUQTFL-GPANFISMSA-N 1 3 339.430 1.909 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766053 580244475 /nfs/dbraw/zinc/24/44/75/580244475.db2.gz IVQZNTOUBPJJLW-HNNXBMFYSA-N 1 3 343.585 1.064 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861702 /nfs/dbraw/zinc/86/17/02/580861702.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 1 3 343.471 1.034 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861703 /nfs/dbraw/zinc/86/17/03/580861703.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 1 3 343.471 1.034 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCNCCC23CCC3)CCCO1 ZINC000891854561 590656428 /nfs/dbraw/zinc/65/64/28/590656428.db2.gz CNQNASLWABYEMJ-MRXNPFEDSA-N 1 3 338.496 1.415 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCNCCC23CCC3)CCCO1 ZINC000891854561 590656430 /nfs/dbraw/zinc/65/64/30/590656430.db2.gz CNQNASLWABYEMJ-MRXNPFEDSA-N 1 3 338.496 1.415 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000891894104 590676856 /nfs/dbraw/zinc/67/68/56/590676856.db2.gz AULZULNMXMYFRD-PCODUJHASA-N 1 3 330.476 1.929 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC000892006602 590740491 /nfs/dbraw/zinc/74/04/91/590740491.db2.gz JTFLPTBFZAHPLI-QZTJIDSGSA-N 1 3 330.476 1.908 20 0 EDADHO C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753585 /nfs/dbraw/zinc/75/35/85/590753585.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753588 /nfs/dbraw/zinc/75/35/88/590753588.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893302409 590767263 /nfs/dbraw/zinc/76/72/63/590767263.db2.gz FZEJEBZAAUFSIS-GOEBONIOSA-N 1 3 337.489 1.711 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169001 590839605 /nfs/dbraw/zinc/83/96/05/590839605.db2.gz HUWMOFSEZYWBGR-KURKYZTESA-N 1 3 330.476 1.996 20 0 EDADHO CN1CCN(C)CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000888985417 590956018 /nfs/dbraw/zinc/95/60/18/590956018.db2.gz XJNBNLKUFIAKLN-SFHVURJKSA-N 1 3 332.492 1.385 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620506 591013579 /nfs/dbraw/zinc/01/35/79/591013579.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620506 591013582 /nfs/dbraw/zinc/01/35/82/591013582.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 1 3 342.487 1.852 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892430521 591025473 /nfs/dbraw/zinc/02/54/73/591025473.db2.gz JRMPDODQOMFNJC-JCNLHEQBSA-N 1 3 340.512 1.504 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892494318 591048714 /nfs/dbraw/zinc/04/87/14/591048714.db2.gz BPKKUCDFDNEILX-HNNXBMFYSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000892547445 591068104 /nfs/dbraw/zinc/06/81/04/591068104.db2.gz XSOMMMVIRYQXEY-PNYFIKQUSA-N 1 3 342.487 1.887 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563200 591074042 /nfs/dbraw/zinc/07/40/42/591074042.db2.gz PZWFPDMNLBNCOZ-IAGOWNOFSA-N 1 3 343.487 1.627 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000891461402 591079271 /nfs/dbraw/zinc/07/92/71/591079271.db2.gz MAYLYCGMKRTWHD-KFWWJZLASA-N 1 3 336.505 1.997 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000891535535 591111654 /nfs/dbraw/zinc/11/16/54/591111654.db2.gz UFTZPJIVZVGLLK-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000891535535 591111657 /nfs/dbraw/zinc/11/16/57/591111657.db2.gz UFTZPJIVZVGLLK-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000891544273 591117577 /nfs/dbraw/zinc/11/75/77/591117577.db2.gz BNASRVAELAZLJE-SHTZXODSSA-N 1 3 340.537 1.775 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000892687946 591131452 /nfs/dbraw/zinc/13/14/52/591131452.db2.gz ZEIXXPFAMHWYGS-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000892735760 591154169 /nfs/dbraw/zinc/15/41/69/591154169.db2.gz PDPWOQNUPCWRQC-HOCLYGCPSA-N 1 3 340.489 1.540 20 0 EDADHO C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2CN1)C(C)(C)C[NH+](C)C ZINC000891665401 591174633 /nfs/dbraw/zinc/17/46/33/591174633.db2.gz PIGVLXHHHZNEAC-RHSMWYFYSA-N 1 3 332.492 1.976 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)C(C)(C)C[NH+](C)C ZINC000891665403 591174648 /nfs/dbraw/zinc/17/46/48/591174648.db2.gz PIGVLXHHHZNEAC-YOEHRIQHSA-N 1 3 332.492 1.976 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000892786340 591176719 /nfs/dbraw/zinc/17/67/19/591176719.db2.gz UNJBFARBKLJPGO-ICSRJNTNSA-N 1 3 342.487 1.876 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892803380 591182961 /nfs/dbraw/zinc/18/29/61/591182961.db2.gz RLBUJQTUDBOYRM-GUDVDZBRSA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892803380 591182963 /nfs/dbraw/zinc/18/29/63/591182963.db2.gz RLBUJQTUDBOYRM-GUDVDZBRSA-N 1 3 342.487 1.827 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817560 591192735 /nfs/dbraw/zinc/19/27/35/591192735.db2.gz DZMHQCFHKXNHEE-DLBZAZTESA-N 1 3 336.480 1.166 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251205 /nfs/dbraw/zinc/25/12/05/591251205.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251207 /nfs/dbraw/zinc/25/12/07/591251207.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897439797 591452858 /nfs/dbraw/zinc/45/28/58/591452858.db2.gz GSPPZUANFIXYAL-ZHALLVOQSA-N 1 3 333.476 1.498 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897439797 591452861 /nfs/dbraw/zinc/45/28/61/591452861.db2.gz GSPPZUANFIXYAL-ZHALLVOQSA-N 1 3 333.476 1.498 20 0 EDADHO C[NH+]1CCC(C[NH2+]Cc2ccc([O-])c(F)c2)(N2CCOCC2)CC1 ZINC000894893704 591461221 /nfs/dbraw/zinc/46/12/21/591461221.db2.gz GSBXTETYVBFISE-UHFFFAOYSA-N 1 3 337.439 1.418 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000897481322 591487390 /nfs/dbraw/zinc/48/73/90/591487390.db2.gz CPFQSVZHQWZEEO-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110104 591785534 /nfs/dbraw/zinc/78/55/34/591785534.db2.gz NZLGSYLRXOZYOV-QGZVFWFLSA-N 1 3 335.492 1.356 20 0 EDADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000888255144 591848222 /nfs/dbraw/zinc/84/82/22/591848222.db2.gz JZNFKVYMGOOJTB-UHFFFAOYSA-N 1 3 348.495 1.927 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000900273876 591976198 /nfs/dbraw/zinc/97/61/98/591976198.db2.gz FZKWTXXKIXXHMG-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442344 592019488 /nfs/dbraw/zinc/01/94/88/592019488.db2.gz QDKAZLDYUFMORR-DLBZAZTESA-N 1 3 342.443 1.884 20 0 EDADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442344 592019491 /nfs/dbraw/zinc/01/94/91/592019491.db2.gz QDKAZLDYUFMORR-DLBZAZTESA-N 1 3 342.443 1.884 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000900589649 592061047 /nfs/dbraw/zinc/06/10/47/592061047.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000900589649 592061050 /nfs/dbraw/zinc/06/10/50/592061050.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CO[C@H](C)c1nc(CONC(=N)[C@H]2CN3CCC[C@H]3CO2)cs1 ZINC000902810797 592068346 /nfs/dbraw/zinc/06/83/46/592068346.db2.gz YSOQYVSAPCDULA-KGYLQXTDSA-N 1 3 340.449 1.712 20 0 EDADHO CO[C@H](C)c1nc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000902810797 592068348 /nfs/dbraw/zinc/06/83/48/592068348.db2.gz YSOQYVSAPCDULA-KGYLQXTDSA-N 1 3 340.449 1.712 20 0 EDADHO CO[C@H](C)c1nc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000902810797 592068350 /nfs/dbraw/zinc/06/83/50/592068350.db2.gz YSOQYVSAPCDULA-KGYLQXTDSA-N 1 3 340.449 1.712 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000900708285 592100726 /nfs/dbraw/zinc/10/07/26/592100726.db2.gz IDQDGNZOEMABPK-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000900708285 592100729 /nfs/dbraw/zinc/10/07/29/592100729.db2.gz IDQDGNZOEMABPK-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CC1CCC(N2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900732679 592111961 /nfs/dbraw/zinc/11/19/61/592111961.db2.gz VQQKUPPFKZIXPX-TVPLGVNVSA-N 1 3 337.508 1.556 20 0 EDADHO CC1CCC(N2CCN(C(=O)C[C@@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000900732679 592111963 /nfs/dbraw/zinc/11/19/63/592111963.db2.gz VQQKUPPFKZIXPX-TVPLGVNVSA-N 1 3 337.508 1.556 20 0 EDADHO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(OCCN(C)C)c1 ZINC000900782666 592122114 /nfs/dbraw/zinc/12/21/14/592122114.db2.gz IZAOWWACLFSAPW-IBGZPJMESA-N 1 3 349.475 1.721 20 0 EDADHO Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c(OCCN(C)C)c1 ZINC000900782666 592122117 /nfs/dbraw/zinc/12/21/17/592122117.db2.gz IZAOWWACLFSAPW-IBGZPJMESA-N 1 3 349.475 1.721 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)C1 ZINC000903200394 592134375 /nfs/dbraw/zinc/13/43/75/592134375.db2.gz RRODTWPPVCYLPG-CEXWTWQISA-N 1 3 332.444 1.291 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801409 592142210 /nfs/dbraw/zinc/14/22/10/592142210.db2.gz QSJQMOHNYGPULK-MSOLQXFVSA-N 1 3 338.540 1.734 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801409 592142213 /nfs/dbraw/zinc/14/22/13/592142213.db2.gz QSJQMOHNYGPULK-MSOLQXFVSA-N 1 3 338.540 1.734 20 0 EDADHO C[C@H]1CCCN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1 ZINC000903506979 592198842 /nfs/dbraw/zinc/19/88/42/592198842.db2.gz HSCSBRLOCKYGLI-RYQLBKOJSA-N 1 3 334.508 1.146 20 0 EDADHO C[C@H]1CCCN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1 ZINC000903506979 592198844 /nfs/dbraw/zinc/19/88/44/592198844.db2.gz HSCSBRLOCKYGLI-RYQLBKOJSA-N 1 3 334.508 1.146 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656154 592238061 /nfs/dbraw/zinc/23/80/61/592238061.db2.gz QOFMYVWXXQCODQ-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656154 592238065 /nfs/dbraw/zinc/23/80/65/592238065.db2.gz QOFMYVWXXQCODQ-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904506040 592273552 /nfs/dbraw/zinc/27/35/52/592273552.db2.gz IGLDYARPFAKSTA-ZWKOTPCHSA-N 1 3 344.459 1.395 20 0 EDADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730834 592287470 /nfs/dbraw/zinc/28/74/70/592287470.db2.gz ZXGIBHBTUGXDPE-TXPKVOOTSA-N 1 3 337.508 1.629 20 0 EDADHO O=C(CC1CCCC1)NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903729524 592287498 /nfs/dbraw/zinc/28/74/98/592287498.db2.gz NYQMHWVDXBPIHE-ICSRJNTNSA-N 1 3 349.519 1.916 20 0 EDADHO O[C@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)CN1CCCC1 ZINC000903745837 592292304 /nfs/dbraw/zinc/29/23/04/592292304.db2.gz SHCBVACDLWOMKK-OALUTQOASA-N 1 3 332.492 1.482 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243088 592301523 /nfs/dbraw/zinc/30/15/23/592301523.db2.gz XAEKCZIEDOBEID-ROUUACIJSA-N 1 3 343.471 1.081 20 0 EDADHO CC(=O)N(C[C@H]1CCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755277 592314100 /nfs/dbraw/zinc/31/41/00/592314100.db2.gz DQNAWZJTAYHXOZ-QZTJIDSGSA-N 1 3 335.492 1.620 20 0 EDADHO [NH3+]CC1(c2ccccc2)CCN(CCN2CCCS2(=O)=O)CC1 ZINC000903793031 592316441 /nfs/dbraw/zinc/31/64/41/592316441.db2.gz LDAMEUALOFKJTC-UHFFFAOYSA-N 1 3 337.489 1.014 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)ccc1CN(C)C ZINC000906769279 592321588 /nfs/dbraw/zinc/32/15/88/592321588.db2.gz DJXAQBZAJBUJBS-LJQANCHMSA-N 1 3 344.459 1.350 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832305 592337248 /nfs/dbraw/zinc/33/72/48/592337248.db2.gz PUECCDATMWIMJY-ULQDDVLXSA-N 1 3 331.485 1.938 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832305 592337254 /nfs/dbraw/zinc/33/72/54/592337254.db2.gz PUECCDATMWIMJY-ULQDDVLXSA-N 1 3 331.485 1.938 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886357 592363533 /nfs/dbraw/zinc/36/35/33/592363533.db2.gz QUKPHSBVLVCDMT-SJORKVTESA-N 1 3 347.507 1.084 20 0 EDADHO Cc1cnn([C@@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893280 592365742 /nfs/dbraw/zinc/36/57/42/592365742.db2.gz UIXILZNTAGNSKJ-SJLPKXTDSA-N 1 3 330.480 1.688 20 0 EDADHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913123 592375722 /nfs/dbraw/zinc/37/57/22/592375722.db2.gz NEEVENZZXGILHL-PTGCCPEKSA-N 1 3 347.507 1.964 20 0 EDADHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913122 592376337 /nfs/dbraw/zinc/37/63/37/592376337.db2.gz NEEVENZZXGILHL-FDMITFGQSA-N 1 3 347.507 1.964 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922982 592378749 /nfs/dbraw/zinc/37/87/49/592378749.db2.gz ISGZMKQBLNQISQ-RDJZCZTQSA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922982 592378754 /nfs/dbraw/zinc/37/87/54/592378754.db2.gz ISGZMKQBLNQISQ-RDJZCZTQSA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933139 592385098 /nfs/dbraw/zinc/38/50/98/592385098.db2.gz YWUAPSSJJYLLRP-IEBWSBKVSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933139 592385102 /nfs/dbraw/zinc/38/51/02/592385102.db2.gz YWUAPSSJJYLLRP-IEBWSBKVSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933139 592385106 /nfs/dbraw/zinc/38/51/06/592385106.db2.gz YWUAPSSJJYLLRP-IEBWSBKVSA-N 1 3 349.523 1.033 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078659 592388343 /nfs/dbraw/zinc/38/83/43/592388343.db2.gz AXEHEEKLXFAGEY-SFHVURJKSA-N 1 3 339.524 1.191 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078659 592388348 /nfs/dbraw/zinc/38/83/48/592388348.db2.gz AXEHEEKLXFAGEY-SFHVURJKSA-N 1 3 339.524 1.191 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978208 592399632 /nfs/dbraw/zinc/39/96/32/592399632.db2.gz AAWMYOCQNZBFKP-DGCLKSJQSA-N 1 3 337.361 1.550 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978208 592399636 /nfs/dbraw/zinc/39/96/36/592399636.db2.gz AAWMYOCQNZBFKP-DGCLKSJQSA-N 1 3 337.361 1.550 20 0 EDADHO CN1CCCN(c2ccc(-c3noc([C@@H]4C[C@@H]4C[NH3+])n3)cn2)CC1 ZINC000904103192 592426709 /nfs/dbraw/zinc/42/67/09/592426709.db2.gz QTIQAWAQJXALEW-ZIAGYGMSSA-N 1 3 328.420 1.336 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229306 592458397 /nfs/dbraw/zinc/45/83/97/592458397.db2.gz AMFGSLYVRYADGC-SJORKVTESA-N 1 3 328.497 1.523 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229306 592458401 /nfs/dbraw/zinc/45/84/01/592458401.db2.gz AMFGSLYVRYADGC-SJORKVTESA-N 1 3 328.497 1.523 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905294733 592487106 /nfs/dbraw/zinc/48/71/06/592487106.db2.gz JSCSHXWMCVGKNJ-UXHICEINSA-N 1 3 349.519 1.477 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424326 592490323 /nfs/dbraw/zinc/49/03/23/592490323.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424326 592490324 /nfs/dbraw/zinc/49/03/24/592490324.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538023 592529528 /nfs/dbraw/zinc/52/95/28/592529528.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908538023 592529531 /nfs/dbraw/zinc/52/95/31/592529531.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 1 3 336.524 1.347 20 0 EDADHO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(NC2=NCCC2)cc1 ZINC000908542414 592531525 /nfs/dbraw/zinc/53/15/25/592531525.db2.gz ZXFHTJRKQPMMCQ-QGZVFWFLSA-N 1 3 344.459 1.867 20 0 EDADHO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(NC2=NCCC2)cc1 ZINC000908542414 592531528 /nfs/dbraw/zinc/53/15/28/592531528.db2.gz ZXFHTJRKQPMMCQ-QGZVFWFLSA-N 1 3 344.459 1.867 20 0 EDADHO CN1CCN(C)CC(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000907493557 592671951 /nfs/dbraw/zinc/67/19/51/592671951.db2.gz RTOVXRQWRNUTQW-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000906029117 592720532 /nfs/dbraw/zinc/72/05/32/592720532.db2.gz HMAZPLRRHSRKIW-MRXNPFEDSA-N 1 3 344.503 1.043 20 0 EDADHO C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000906029117 592720535 /nfs/dbraw/zinc/72/05/35/592720535.db2.gz HMAZPLRRHSRKIW-MRXNPFEDSA-N 1 3 344.503 1.043 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000910864716 592897964 /nfs/dbraw/zinc/89/79/64/592897964.db2.gz ROAIUGISFAIPRX-UHFFFAOYSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000910864716 592897965 /nfs/dbraw/zinc/89/79/65/592897965.db2.gz ROAIUGISFAIPRX-UHFFFAOYSA-N 1 3 325.497 1.412 20 0 EDADHO C[C@@H]1CN(C(=O)CCc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000911823388 593017161 /nfs/dbraw/zinc/01/71/61/593017161.db2.gz YKPAMUUMMNODER-QAPCUYQASA-N 1 3 333.476 1.755 20 0 EDADHO C[C@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC[C@H]1[NH3+] ZINC000911827006 593017703 /nfs/dbraw/zinc/01/77/03/593017703.db2.gz VLXOTSCJGIETAR-ZVWUFJHRSA-N 1 3 329.366 1.560 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000911892341 593032075 /nfs/dbraw/zinc/03/20/75/593032075.db2.gz KBMASEZRIVDDJA-GBESFXJTSA-N 1 3 345.487 1.829 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000911892341 593032077 /nfs/dbraw/zinc/03/20/77/593032077.db2.gz KBMASEZRIVDDJA-GBESFXJTSA-N 1 3 345.487 1.829 20 0 EDADHO CN(CCC(=O)NC1CC[NH+](C2CCOCC2)CC1)c1ccncc1 ZINC000912347263 593087742 /nfs/dbraw/zinc/08/77/42/593087742.db2.gz PGHRXUAZDCWJNG-UHFFFAOYSA-N 1 3 346.475 1.668 20 0 EDADHO CSC1(CNC(=O)NC[C@H](C)N2CCCCC2)CC[NH+](C)CC1 ZINC000811890517 593485359 /nfs/dbraw/zinc/48/53/59/593485359.db2.gz TXMFHZYSNPYWJT-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO N[C@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859059 593641803 /nfs/dbraw/zinc/64/18/03/593641803.db2.gz OQWKVESHNNOKMS-CVEARBPZSA-N 1 3 331.416 1.661 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)CC[NH2+]CC1 ZINC000817930584 593649704 /nfs/dbraw/zinc/64/97/04/593649704.db2.gz DJUHJDTZTRLPJW-JLJPHGGASA-N 1 3 348.443 1.392 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000819220265 593745197 /nfs/dbraw/zinc/74/51/97/593745197.db2.gz KZNOGIQZPWOLPQ-HIFRSBDPSA-N 1 3 327.469 1.502 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287959 593748472 /nfs/dbraw/zinc/74/84/72/593748472.db2.gz SPXUCOSGHAEORV-MRXNPFEDSA-N 1 3 327.419 1.614 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1(C)C ZINC000819286826 593748534 /nfs/dbraw/zinc/74/85/34/593748534.db2.gz KQPYMXKSQBMTKY-INIZCTEOSA-N 1 3 327.419 1.614 20 0 EDADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1[nH]nc2c1CNCC2 ZINC000831088603 594552985 /nfs/dbraw/zinc/55/29/85/594552985.db2.gz FTYDEGZLQOICKP-UHFFFAOYSA-N 1 3 331.464 1.582 20 0 EDADHO CN1CCC[C@]2(CCN(C(=S)NCC(C)(C)C[NH+](C)C)C2)C1 ZINC000840754687 594815075 /nfs/dbraw/zinc/81/50/75/594815075.db2.gz OCATWUBQSSDCGR-KRWDZBQOSA-N 1 3 326.554 1.866 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000841004571 594837595 /nfs/dbraw/zinc/83/75/95/594837595.db2.gz LRBMPFHDAIIXSY-UZLBHIALSA-N 1 3 345.487 1.629 20 0 EDADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847837 594964819 /nfs/dbraw/zinc/96/48/19/594964819.db2.gz VGTJRSBNISOQHV-SUMWQHHRSA-N 1 3 345.443 1.922 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000841923438 594982474 /nfs/dbraw/zinc/98/24/74/594982474.db2.gz GSKYEXNWEOBZJT-UHFFFAOYSA-N 1 3 332.492 1.802 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842229914 595046075 /nfs/dbraw/zinc/04/60/75/595046075.db2.gz UGNNLXRVUQSGBX-DLBZAZTESA-N 1 3 346.475 1.093 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514032 595124459 /nfs/dbraw/zinc/12/44/59/595124459.db2.gz ZIRWWYKCGQKBHO-PKOBYXMFSA-N 1 3 328.460 1.648 20 0 EDADHO CO[C@@H](C)c1noc(CN2CCCN(CCCCCC[NH3+])CC2)n1 ZINC000846220045 595177233 /nfs/dbraw/zinc/17/72/33/595177233.db2.gz JZURMMCFNHAVEU-HNNXBMFYSA-N 1 3 339.484 1.804 20 0 EDADHO CN(C)CCOc1cc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000843191928 595302372 /nfs/dbraw/zinc/30/23/72/595302372.db2.gz OKTYGGWZORCACR-CYBMUJFWSA-N 1 3 331.420 1.614 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222937 595307437 /nfs/dbraw/zinc/30/74/37/595307437.db2.gz NTKKJCNOYSTNIT-HOTGVXAUSA-N 1 3 346.475 1.521 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncccn3)CC2)CC1 ZINC000847594702 595454238 /nfs/dbraw/zinc/45/42/38/595454238.db2.gz YSYXYZJMBFPUKY-UHFFFAOYSA-N 1 3 331.464 1.289 20 0 EDADHO CC(C)NC(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849056683 595476037 /nfs/dbraw/zinc/47/60/37/595476037.db2.gz BIUDPUPWQFJUCM-UHFFFAOYSA-N 1 3 331.464 1.290 20 0 EDADHO CN(CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000849066938 595477307 /nfs/dbraw/zinc/47/73/07/595477307.db2.gz REYOOVMLGLIPJL-UHFFFAOYSA-N 1 3 329.492 1.859 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000849095494 595480939 /nfs/dbraw/zinc/48/09/39/595480939.db2.gz AKJQJZKOIQBAQG-OAHLLOKOSA-N 1 3 334.464 1.415 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)N1CCC(OC)CC1 ZINC000849101941 595482040 /nfs/dbraw/zinc/48/20/40/595482040.db2.gz AUTACCLZGPGZDJ-HNNXBMFYSA-N 1 3 339.528 1.474 20 0 EDADHO C[NH+](C)CCCNC(=S)NCC1CCN(Cc2ccncc2)CC1 ZINC000849284340 595501378 /nfs/dbraw/zinc/50/13/78/595501378.db2.gz FXZRCZBVLUWNEM-UHFFFAOYSA-N 1 3 349.548 1.709 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552912 /nfs/dbraw/zinc/55/29/12/595552912.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 1 3 347.507 1.302 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552914 /nfs/dbraw/zinc/55/29/14/595552914.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 1 3 347.507 1.302 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514628 595555640 /nfs/dbraw/zinc/55/56/40/595555640.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 1 3 333.480 1.054 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514628 595555642 /nfs/dbraw/zinc/55/56/42/595555642.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 1 3 333.480 1.054 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522716 595557938 /nfs/dbraw/zinc/55/79/38/595557938.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 1 3 347.507 1.446 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522716 595557941 /nfs/dbraw/zinc/55/79/41/595557941.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 1 3 347.507 1.446 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3=NO[C@H](CN)C3)cc21 ZINC000852870716 595590125 /nfs/dbraw/zinc/59/01/25/595590125.db2.gz QIZNXRZVLWNNPW-AWEZNQCLSA-N 1 3 329.404 1.245 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000852184111 596074920 /nfs/dbraw/zinc/07/49/20/596074920.db2.gz GBUAJGKENDDFSJ-QGZVFWFLSA-N 1 3 325.497 1.630 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000852184111 596074922 /nfs/dbraw/zinc/07/49/22/596074922.db2.gz GBUAJGKENDDFSJ-QGZVFWFLSA-N 1 3 325.497 1.630 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000854641915 596145872 /nfs/dbraw/zinc/14/58/72/596145872.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 1 3 341.471 1.521 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000854641915 596145874 /nfs/dbraw/zinc/14/58/74/596145874.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 1 3 341.471 1.521 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000852629482 596213036 /nfs/dbraw/zinc/21/30/36/596213036.db2.gz CJNMXHOEABDYEX-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000852629482 596213037 /nfs/dbraw/zinc/21/30/37/596213037.db2.gz CJNMXHOEABDYEX-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000866814057 596361739 /nfs/dbraw/zinc/36/17/39/596361739.db2.gz JXWVBGDSSLCVBN-INIZCTEOSA-N 1 3 331.526 1.499 20 0 EDADHO CCCN(C)CC(=O)NC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC000871466385 596593077 /nfs/dbraw/zinc/59/30/77/596593077.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO CCCN(C)CC(=O)NC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC000871466385 596593079 /nfs/dbraw/zinc/59/30/79/596593079.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO CCCN(C)CC(=O)N1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC000871466385 596593081 /nfs/dbraw/zinc/59/30/81/596593081.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO CCCN(C)CC(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC000871466385 596593083 /nfs/dbraw/zinc/59/30/83/596593083.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(C=O)c1 ZINC000865783255 596681659 /nfs/dbraw/zinc/68/16/59/596681659.db2.gz JQOHZCVXVOROMO-UHFFFAOYSA-N 1 3 337.439 1.984 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cn2)CC1 ZINC000868191600 596717460 /nfs/dbraw/zinc/71/74/60/596717460.db2.gz UWWDNUISGBTOFP-JKSUJKDBSA-N 1 3 332.452 1.508 20 0 EDADHO CC(=O)c1cc(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)n(C)c1 ZINC000866041769 596769932 /nfs/dbraw/zinc/76/99/32/596769932.db2.gz YQXTWNXIHSYBBK-HZPDHXFCSA-N 1 3 334.464 1.039 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC000868296924 596773582 /nfs/dbraw/zinc/77/35/82/596773582.db2.gz CBTDUNYHLWWPKT-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872145814 596810593 /nfs/dbraw/zinc/81/05/93/596810593.db2.gz ZLKAJJOZFZAUSS-YYESSZKYSA-N 1 3 335.448 1.201 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000875714461 596957886 /nfs/dbraw/zinc/95/78/86/596957886.db2.gz XELWMXUJEKATRT-KBPBESRZSA-N 1 3 326.485 1.004 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000875714461 596957887 /nfs/dbraw/zinc/95/78/87/596957887.db2.gz XELWMXUJEKATRT-KBPBESRZSA-N 1 3 326.485 1.004 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1(C)C ZINC000875747016 596971094 /nfs/dbraw/zinc/97/10/94/596971094.db2.gz GILDJBMLIKCHQH-MRXNPFEDSA-N 1 3 338.496 1.365 20 0 EDADHO C[N@H+]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1(C)C ZINC000875747016 596971096 /nfs/dbraw/zinc/97/10/96/596971096.db2.gz GILDJBMLIKCHQH-MRXNPFEDSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000876529936 597231685 /nfs/dbraw/zinc/23/16/85/597231685.db2.gz OZGFCVABRXQKSW-UHFFFAOYSA-N 1 3 327.432 1.496 20 0 EDADHO Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)n(C)n1 ZINC000873245266 597237901 /nfs/dbraw/zinc/23/79/01/597237901.db2.gz YKVBEZIHJZBJTE-CYBMUJFWSA-N 1 3 325.420 1.619 20 0 EDADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000873332797 597259299 /nfs/dbraw/zinc/25/92/99/597259299.db2.gz MLKBLVPVQRNGCA-GFCCVEGCSA-N 1 3 336.402 1.926 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(CN)cnn2C)CC1 ZINC000876754655 597322804 /nfs/dbraw/zinc/32/28/04/597322804.db2.gz GQMHYQZISMLIFG-AWEZNQCLSA-N 1 3 341.459 1.834 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878311312 597594533 /nfs/dbraw/zinc/59/45/33/597594533.db2.gz HYLLEGPYBCIFHU-SFHVURJKSA-N 1 3 341.540 1.248 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(CO)CCCC1 ZINC000878311312 597594534 /nfs/dbraw/zinc/59/45/34/597594534.db2.gz HYLLEGPYBCIFHU-SFHVURJKSA-N 1 3 341.540 1.248 20 0 EDADHO Brc1ccccc1CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000883430286 597744145 /nfs/dbraw/zinc/74/41/45/597744145.db2.gz RJKGIKSWTNNVOI-HNNXBMFYSA-N 1 3 338.293 1.971 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000883473786 597764309 /nfs/dbraw/zinc/76/43/09/597764309.db2.gz NCVIZAMQRUHRLW-OAHLLOKOSA-N 1 3 325.478 1.511 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CN1C1CC1 ZINC000883503986 597778450 /nfs/dbraw/zinc/77/84/50/597778450.db2.gz VBNQLMSEMFFKAH-BZUAXINKSA-N 1 3 343.475 1.927 20 0 EDADHO COCC[NH+]1CCC(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000884199283 598025606 /nfs/dbraw/zinc/02/56/06/598025606.db2.gz VPZNZNVDDUNVMY-QGZVFWFLSA-N 1 3 344.459 1.265 20 0 EDADHO O=C(CN1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992924382 695456220 /nfs/dbraw/zinc/45/62/20/695456220.db2.gz XMPVHHYDEKZPLA-XIRDDKMYSA-N 1 3 348.516 1.956 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000915154164 695753097 /nfs/dbraw/zinc/75/30/97/695753097.db2.gz UTNUXFFDPOUKJE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN(C)CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000916332771 696652484 /nfs/dbraw/zinc/65/24/84/696652484.db2.gz YUDHJAXXDXWMIH-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940008697 700110742 /nfs/dbraw/zinc/11/07/42/700110742.db2.gz YNLCFFASENSMKQ-MRXNPFEDSA-N 1 3 334.464 1.802 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040849705 697345363 /nfs/dbraw/zinc/34/53/63/697345363.db2.gz UUFJDBUULUGFLW-IRXDYDNUSA-N 1 3 337.508 1.678 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940108289 700220529 /nfs/dbraw/zinc/22/05/29/700220529.db2.gz BRJOTMOCVWYXLW-MRXNPFEDSA-N 1 3 348.495 1.159 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940108289 700220534 /nfs/dbraw/zinc/22/05/34/700220534.db2.gz BRJOTMOCVWYXLW-MRXNPFEDSA-N 1 3 348.495 1.159 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939210023 699356888 /nfs/dbraw/zinc/35/68/88/699356888.db2.gz KZYLCWHEDABERJ-KBXCAEBGSA-N 1 3 341.459 1.655 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939394504 699544764 /nfs/dbraw/zinc/54/47/64/699544764.db2.gz CALBXQDQZKXUNH-NVXWUHKLSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941677107 701615734 /nfs/dbraw/zinc/61/57/34/701615734.db2.gz KYBFOESVZPXUTG-IRXDYDNUSA-N 1 3 348.535 1.488 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1C ZINC000940328420 700507055 /nfs/dbraw/zinc/50/70/55/700507055.db2.gz JQJCIZAVQLGAQQ-OAHLLOKOSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1C ZINC000940328420 700507057 /nfs/dbraw/zinc/50/70/57/700507057.db2.gz JQJCIZAVQLGAQQ-OAHLLOKOSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN3CC[C@H](C)C3)CC2)ncn1 ZINC000940329574 700509018 /nfs/dbraw/zinc/50/90/18/700509018.db2.gz VNLHUCDLYHXTMT-HNNXBMFYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940426093 700619736 /nfs/dbraw/zinc/61/97/36/700619736.db2.gz FLEPLCWSCPUUHR-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940426093 700619738 /nfs/dbraw/zinc/61/97/38/700619738.db2.gz FLEPLCWSCPUUHR-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168165 701659068 /nfs/dbraw/zinc/65/90/68/701659068.db2.gz MVFUWFHYRYMNTL-LSDHHAIUSA-N 1 3 332.448 1.453 20 0 EDADHO COc1ccnc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000940461773 700665167 /nfs/dbraw/zinc/66/51/67/700665167.db2.gz KBFHPAFGFLIGCM-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC000995099852 700886044 /nfs/dbraw/zinc/88/60/44/700886044.db2.gz ARDREPQIESWRRV-CVEARBPZSA-N 1 3 347.507 1.527 20 0 EDADHO CO[C@@H](C)CN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031917556 701017728 /nfs/dbraw/zinc/01/77/28/701017728.db2.gz AIZITMLFFWVOML-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CO[C@@H](C)CN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917556 701017730 /nfs/dbraw/zinc/01/77/30/701017730.db2.gz AIZITMLFFWVOML-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344089 701480201 /nfs/dbraw/zinc/48/02/01/701480201.db2.gz CAAOMUGTEGTUDR-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000941345535 701481045 /nfs/dbraw/zinc/48/10/45/701481045.db2.gz VWPBWUBBXWEQFW-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980610 702141739 /nfs/dbraw/zinc/14/17/39/702141739.db2.gz WQTDQHRSUKXGRR-RHSMWYFYSA-N 1 3 335.517 1.926 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980610 702141742 /nfs/dbraw/zinc/14/17/42/702141742.db2.gz WQTDQHRSUKXGRR-RHSMWYFYSA-N 1 3 335.517 1.926 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995893692 702195188 /nfs/dbraw/zinc/19/51/88/702195188.db2.gz IRGXJSWRIGZPIK-DLBZAZTESA-N 1 3 347.507 1.395 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@H](NCc2ccns2)C(C)(C)C1)C1CC1 ZINC000995900587 702206942 /nfs/dbraw/zinc/20/69/42/702206942.db2.gz YNAMYHHJGJHCFH-LSDHHAIUSA-N 1 3 336.505 1.810 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1)N(C)C ZINC000995928374 702258224 /nfs/dbraw/zinc/25/82/24/702258224.db2.gz TXYAHFMQWCJZDJ-CVEARBPZSA-N 1 3 335.496 1.296 20 0 EDADHO C[C@@H]1CN(Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153626 702442178 /nfs/dbraw/zinc/44/21/78/702442178.db2.gz IKBIMOPDWLFMKB-NVXWUHKLSA-N 1 3 328.460 1.504 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCCO2)CC1 ZINC001032665860 706678755 /nfs/dbraw/zinc/67/87/55/706678755.db2.gz JRPRSXFPHFBOOT-FHWLQOOXSA-N 1 3 349.519 1.963 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300393 702691598 /nfs/dbraw/zinc/69/15/98/702691598.db2.gz LHNIUMSLCSIZKI-SUMWQHHRSA-N 1 3 329.460 1.018 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)N(C)C ZINC000996316176 702704442 /nfs/dbraw/zinc/70/44/42/702704442.db2.gz YEXXHISGPJMTBJ-HOTGVXAUSA-N 1 3 335.496 1.395 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384575 702748996 /nfs/dbraw/zinc/74/89/96/702748996.db2.gz ANDWDWIGSFHPSC-KRWDZBQOSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610816 702915690 /nfs/dbraw/zinc/91/56/90/702915690.db2.gz KVLFOXMFVFBIJL-DZGCQCFKSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610816 702915691 /nfs/dbraw/zinc/91/56/91/702915691.db2.gz KVLFOXMFVFBIJL-DZGCQCFKSA-N 1 3 336.505 1.730 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624205 702921657 /nfs/dbraw/zinc/92/16/57/702921657.db2.gz WYLRFMWILURYFW-ROUUACIJSA-N 1 3 335.492 1.620 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC000996646133 702948136 /nfs/dbraw/zinc/94/81/36/702948136.db2.gz QFHYLMMDPYGWKG-SFHVURJKSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC000996646133 702948138 /nfs/dbraw/zinc/94/81/38/702948138.db2.gz QFHYLMMDPYGWKG-SFHVURJKSA-N 1 3 347.507 1.858 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)nn1 ZINC000996727665 703022567 /nfs/dbraw/zinc/02/25/67/703022567.db2.gz HZKPCGACSBORQO-MRXNPFEDSA-N 1 3 347.463 1.050 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC000996966243 703226310 /nfs/dbraw/zinc/22/63/10/703226310.db2.gz RORRXYJXFUAJGK-QGZVFWFLSA-N 1 3 335.496 1.129 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(N[C@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996963628 703232460 /nfs/dbraw/zinc/23/24/60/703232460.db2.gz GEHVDUDLFFDHDI-UKRRQHHQSA-N 1 3 336.484 1.043 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC000996997666 703254684 /nfs/dbraw/zinc/25/46/84/703254684.db2.gz FHOGLQFMNGRFPA-CYBMUJFWSA-N 1 3 336.436 1.248 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC000996997666 703254687 /nfs/dbraw/zinc/25/46/87/703254687.db2.gz FHOGLQFMNGRFPA-CYBMUJFWSA-N 1 3 336.436 1.248 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000997042974 703292702 /nfs/dbraw/zinc/29/27/02/703292702.db2.gz SWFKYUBGWNQGTM-UHFFFAOYSA-N 1 3 330.407 1.915 20 0 EDADHO C[NH+]1CCC(CC(=O)N2CCC(NCc3cnns3)CC2)CC1 ZINC000997056933 703302575 /nfs/dbraw/zinc/30/25/75/703302575.db2.gz HEJONCZKFQDGIE-UHFFFAOYSA-N 1 3 337.493 1.351 20 0 EDADHO COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000997073944 703314085 /nfs/dbraw/zinc/31/40/85/703314085.db2.gz ZWWFIRQJJARYMY-WBVHZDCISA-N 1 3 325.497 1.722 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997366540 703600556 /nfs/dbraw/zinc/60/05/56/703600556.db2.gz GFGRJJCSZGWWIF-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC000997367572 703601706 /nfs/dbraw/zinc/60/17/06/703601706.db2.gz KOQUGDHIVITMBO-QGZVFWFLSA-N 1 3 348.495 1.253 20 0 EDADHO COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997588671 703876988 /nfs/dbraw/zinc/87/69/88/703876988.db2.gz ZWWFIRQJJARYMY-DOTOQJQBSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001004206484 703964179 /nfs/dbraw/zinc/96/41/79/703964179.db2.gz MFAZIVSWCRYDJL-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000922852619 704438983 /nfs/dbraw/zinc/43/89/83/704438983.db2.gz MLUZOBOXIHGFSX-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000922852619 704438984 /nfs/dbraw/zinc/43/89/84/704438984.db2.gz MLUZOBOXIHGFSX-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000997822972 704742786 /nfs/dbraw/zinc/74/27/86/704742786.db2.gz IHKRNZAERLNKTF-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CCC1 ZINC000997824155 704743372 /nfs/dbraw/zinc/74/33/72/704743372.db2.gz QRIRJYATCXMHNB-HKUYNNGSSA-N 1 3 349.519 1.726 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997829857 704748528 /nfs/dbraw/zinc/74/85/28/704748528.db2.gz DKIQEFQXMJSHLY-QGZVFWFLSA-N 1 3 334.464 1.651 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830238 704748779 /nfs/dbraw/zinc/74/87/79/704748779.db2.gz FUGYHVDBTQMVRA-CZUORRHYSA-N 1 3 348.495 1.045 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CNCc2ccn(C)n2)CC1)[NH+](C)C ZINC000997844077 704759527 /nfs/dbraw/zinc/75/95/27/704759527.db2.gz LVJSQNSYTVBZIF-KRWDZBQOSA-N 1 3 335.496 1.335 20 0 EDADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000997864597 704771393 /nfs/dbraw/zinc/77/13/93/704771393.db2.gz KTOKVUARKGLSJG-QGZVFWFLSA-N 1 3 333.480 1.233 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866809 704772140 /nfs/dbraw/zinc/77/21/40/704772140.db2.gz UZCNRHRXWFQVOK-HNNXBMFYSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997873777 704779435 /nfs/dbraw/zinc/77/94/35/704779435.db2.gz GJYNVCHAQXXYDD-HOTGVXAUSA-N 1 3 347.503 1.959 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)N(C)C ZINC000998040359 705229062 /nfs/dbraw/zinc/22/90/62/705229062.db2.gz RFQIOVIMWKFVMP-GOSISDBHSA-N 1 3 332.492 1.996 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000998224395 705553040 /nfs/dbraw/zinc/55/30/40/705553040.db2.gz BTJIHPZHBYJFBR-UHFFFAOYSA-N 1 3 343.475 1.209 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548357 705984067 /nfs/dbraw/zinc/98/40/67/705984067.db2.gz GZXKFGDPOCTUNY-DAWZGUTISA-N 1 3 331.460 1.352 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000998554517 705989474 /nfs/dbraw/zinc/98/94/74/705989474.db2.gz YKEUWNITHNKDRH-HTWSVDAQSA-N 1 3 331.460 1.868 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999051795 706472852 /nfs/dbraw/zinc/47/28/52/706472852.db2.gz SEHUUDOBHBRUCO-UHFFFAOYSA-N 1 3 346.475 1.944 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC000999145072 706558877 /nfs/dbraw/zinc/55/88/77/706558877.db2.gz PJDZHWYPPGJRFQ-ROUUACIJSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000999145072 706558880 /nfs/dbraw/zinc/55/88/80/706558880.db2.gz PJDZHWYPPGJRFQ-ROUUACIJSA-N 1 3 345.491 1.738 20 0 EDADHO Cn1nncc1CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999151739 706580456 /nfs/dbraw/zinc/58/04/56/706580456.db2.gz HJDBLCKRMWBYHZ-HNNXBMFYSA-N 1 3 348.495 1.160 20 0 EDADHO CCc1onc(C)c1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362319 706875782 /nfs/dbraw/zinc/87/57/82/706875782.db2.gz AKJUVMAXAUJBIH-QAPCUYQASA-N 1 3 348.491 1.966 20 0 EDADHO Cc1cc(CN[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370914 706885232 /nfs/dbraw/zinc/88/52/32/706885232.db2.gz LWCVTMPANOZCSG-ZBFHGGJFSA-N 1 3 336.505 1.872 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999404792 706913793 /nfs/dbraw/zinc/91/37/93/706913793.db2.gz CKTAPJNLVIYQJG-IUDNXUCKSA-N 1 3 334.464 1.800 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999404792 706913795 /nfs/dbraw/zinc/91/37/95/706913795.db2.gz CKTAPJNLVIYQJG-IUDNXUCKSA-N 1 3 334.464 1.800 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000999475367 706984090 /nfs/dbraw/zinc/98/40/90/706984090.db2.gz XWBPLRSTHYWATJ-DCBWTQNWSA-N 1 3 326.391 1.967 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999573384 707079379 /nfs/dbraw/zinc/07/93/79/707079379.db2.gz IOBFPVVHALHUIR-FUHWJXTLSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999573384 707079382 /nfs/dbraw/zinc/07/93/82/707079382.db2.gz IOBFPVVHALHUIR-FUHWJXTLSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nc(CC[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cs1 ZINC000999832933 707463643 /nfs/dbraw/zinc/46/36/43/707463643.db2.gz JUWXNQLRKRGBCB-UHFFFAOYSA-N 1 3 336.505 1.669 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001001005546 708081932 /nfs/dbraw/zinc/08/19/32/708081932.db2.gz CRLIADYGBOTUDE-NVXWUHKLSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1cccc(OCCN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663470 708443747 /nfs/dbraw/zinc/44/37/47/708443747.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 1 3 345.487 1.858 20 0 EDADHO Cc1cccc(OCCN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663470 708443751 /nfs/dbraw/zinc/44/37/51/708443751.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 1 3 345.487 1.858 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033665943 708449621 /nfs/dbraw/zinc/44/96/21/708449621.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033665943 708449622 /nfs/dbraw/zinc/44/96/22/708449622.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 1 3 344.503 1.737 20 0 EDADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(CCOC)C1 ZINC001033990394 709197529 /nfs/dbraw/zinc/19/75/29/709197529.db2.gz UEDBIVXNSJDIFO-SFHVURJKSA-N 1 3 333.476 1.931 20 0 EDADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001034004685 709244215 /nfs/dbraw/zinc/24/42/15/709244215.db2.gz PJVFJQZDVKKNFX-NVXWUHKLSA-N 1 3 325.497 1.410 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034044437 709296213 /nfs/dbraw/zinc/29/62/13/709296213.db2.gz BABVXDGDAPLWJQ-YJBOKZPZSA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001034044437 709296214 /nfs/dbraw/zinc/29/62/14/709296214.db2.gz BABVXDGDAPLWJQ-YJBOKZPZSA-N 1 3 333.476 1.665 20 0 EDADHO Cc1cncc(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034138252 709388406 /nfs/dbraw/zinc/38/84/06/709388406.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cncc(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034138252 709388408 /nfs/dbraw/zinc/38/84/08/709388408.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 1 3 330.476 1.955 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289565 709713509 /nfs/dbraw/zinc/71/35/09/709713509.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289565 709713511 /nfs/dbraw/zinc/71/35/11/709713511.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319522 709768849 /nfs/dbraw/zinc/76/88/49/709768849.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 1 3 339.455 1.180 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319522 709768852 /nfs/dbraw/zinc/76/88/52/709768852.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 1 3 339.455 1.180 20 0 EDADHO Cc1noc(C)c1CN1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034526814 710179677 /nfs/dbraw/zinc/17/96/77/710179677.db2.gz AJJONCBRRLHMGW-MRXNPFEDSA-N 1 3 334.464 1.858 20 0 EDADHO CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333240 710257427 /nfs/dbraw/zinc/25/74/27/710257427.db2.gz QIUBSIBQXFKQPI-CKXIEVRYSA-N 1 3 335.492 1.476 20 0 EDADHO CCn1cc(CC[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC001003626105 710455255 /nfs/dbraw/zinc/45/52/55/710455255.db2.gz MFMVNQQLHLWLHS-INIZCTEOSA-N 1 3 347.507 1.368 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccns2)CC1 ZINC001003636618 710456865 /nfs/dbraw/zinc/45/68/65/710456865.db2.gz WXVCTTXFFKOKRP-BBRMVZONSA-N 1 3 336.505 1.464 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(CCc2ccns2)CC1 ZINC001003636618 710456866 /nfs/dbraw/zinc/45/68/66/710456866.db2.gz WXVCTTXFFKOKRP-BBRMVZONSA-N 1 3 336.505 1.464 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659664 710589110 /nfs/dbraw/zinc/58/91/10/710589110.db2.gz WWBDWUHAWGRBCP-YHUYYLMFSA-N 1 3 338.496 1.142 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001034722004 710888789 /nfs/dbraw/zinc/88/87/89/710888789.db2.gz UPIRWOZRYFDSOW-DAXOMENPSA-N 1 3 348.495 1.533 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001034796655 711128698 /nfs/dbraw/zinc/12/86/98/711128698.db2.gz LSYZYUFJXAHAJX-QBPKDAKJSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cc1 ZINC001034821600 711222676 /nfs/dbraw/zinc/22/26/76/711222676.db2.gz DHSCJNIKNKXLRC-QPIRBTGLSA-N 1 3 343.471 1.664 20 0 EDADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)cc1 ZINC001034823091 711224589 /nfs/dbraw/zinc/22/45/89/711224589.db2.gz RDZMETWYXAVHPT-TVRKMHQQSA-N 1 3 329.444 1.276 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034958861 711432619 /nfs/dbraw/zinc/43/26/19/711432619.db2.gz MRFUAPGAXSQTDE-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034958861 711432621 /nfs/dbraw/zinc/43/26/21/711432621.db2.gz MRFUAPGAXSQTDE-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034959128 711433258 /nfs/dbraw/zinc/43/32/58/711433258.db2.gz SJTTXWLGDDNLNQ-QZTJIDSGSA-N 1 3 330.476 1.811 20 0 EDADHO CN(C)c1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000050798739 214070737 /nfs/dbraw/zinc/07/07/37/214070737.db2.gz XFKAGKZFFCMFJH-UHFFFAOYSA-N 1 3 345.491 1.436 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000432553907 305093713 /nfs/dbraw/zinc/09/37/13/305093713.db2.gz KAMPSBPXZGDMSG-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO COc1cccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000560485332 306271208 /nfs/dbraw/zinc/27/12/08/306271208.db2.gz PDUAJSJGXGVYEE-UHFFFAOYSA-N 1 3 339.455 1.719 20 0 EDADHO c1cnc(N2CCN(CCCN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700402 /nfs/dbraw/zinc/70/04/02/539700402.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 1 3 344.507 1.205 20 0 EDADHO c1cnc(N2CCN(CCCN[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700407 /nfs/dbraw/zinc/70/04/07/539700407.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 1 3 344.507 1.205 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561645193 306289854 /nfs/dbraw/zinc/28/98/54/306289854.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561645193 306289855 /nfs/dbraw/zinc/28/98/55/306289855.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc12 ZINC000562329038 306295694 /nfs/dbraw/zinc/29/56/94/306295694.db2.gz CEMGHWNKZTVMDL-ROUUACIJSA-N 1 3 343.475 1.744 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000347329546 539863817 /nfs/dbraw/zinc/86/38/17/539863817.db2.gz YKSRHZQUZRDISJ-DZVNLGKHSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000347329546 539863820 /nfs/dbraw/zinc/86/38/20/539863820.db2.gz YKSRHZQUZRDISJ-DZVNLGKHSA-N 1 3 325.497 1.015 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000562707366 306306537 /nfs/dbraw/zinc/30/65/37/306306537.db2.gz LQRQAQAVFVODCG-JQHSSLGASA-N 1 3 337.508 1.769 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000562749526 306307771 /nfs/dbraw/zinc/30/77/71/306307771.db2.gz FRGSTKWSKJJSGY-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000562809397 306310022 /nfs/dbraw/zinc/31/00/22/306310022.db2.gz SPBDXEBVSJHCHU-QGZVFWFLSA-N 1 3 339.528 1.029 20 0 EDADHO CCn1ccnc1CN(C(=O)[C@@H](C)NC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157632 306320762 /nfs/dbraw/zinc/32/07/62/306320762.db2.gz KRPWLWQMYJLULY-GDBMZVCRSA-N 1 3 345.491 1.514 20 0 EDADHO O=C(CCc1c[nH]cn1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000279871591 540069867 /nfs/dbraw/zinc/06/98/67/540069867.db2.gz TZTMHKJINVWJNS-UHFFFAOYSA-N 1 3 342.447 1.066 20 0 EDADHO O=C(CCc1cnc[nH]1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000279871591 540069870 /nfs/dbraw/zinc/06/98/70/540069870.db2.gz TZTMHKJINVWJNS-UHFFFAOYSA-N 1 3 342.447 1.066 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000379653541 540160104 /nfs/dbraw/zinc/16/01/04/540160104.db2.gz GCNDAKUSZGQERT-PKOBYXMFSA-N 1 3 344.503 1.403 20 0 EDADHO COCCNC(=O)[C@H]1CC[C@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000444588557 305251183 /nfs/dbraw/zinc/25/11/83/305251183.db2.gz DMGCJTZSGKNSEF-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563559517 306338773 /nfs/dbraw/zinc/33/87/73/306338773.db2.gz ROJKEPPMSRIIIZ-RCCFBDPRSA-N 1 3 330.476 1.936 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107844948 138304680 /nfs/dbraw/zinc/30/46/80/138304680.db2.gz YSNAXFWSYYDLNT-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CCSC1 ZINC000563588401 306340133 /nfs/dbraw/zinc/34/01/33/306340133.db2.gz GRIJFDHJZKVTAR-FUHWJXTLSA-N 1 3 348.516 1.610 20 0 EDADHO N[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000563597699 306341015 /nfs/dbraw/zinc/34/10/15/306341015.db2.gz LCJUDZGSMYQXIJ-KURKYZTESA-N 1 3 346.475 1.614 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000565468523 306384631 /nfs/dbraw/zinc/38/46/31/306384631.db2.gz SKBCXWJLJPQGPT-UHFFFAOYSA-N 1 3 344.459 1.215 20 0 EDADHO C[N@H+](CCNC(=O)C(=O)Nc1cccc2c1CCNC2)C1CCCC1 ZINC000565645297 306388570 /nfs/dbraw/zinc/38/85/70/306388570.db2.gz YGYFHHUBRGXBBG-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO C[N@@H+](CCNC(=O)C(=O)Nc1cccc2c1CCNC2)C1CCCC1 ZINC000565645297 306388571 /nfs/dbraw/zinc/38/85/71/306388571.db2.gz YGYFHHUBRGXBBG-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO CN(C)c1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)n1C ZINC000414370479 304112552 /nfs/dbraw/zinc/11/25/52/304112552.db2.gz WHIOEBJSPPQTBC-UHFFFAOYSA-N 1 3 328.464 1.887 20 0 EDADHO C[C@@H](NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)[C@H](C)[NH3+] ZINC000417580804 296077695 /nfs/dbraw/zinc/07/76/95/296077695.db2.gz GDLXJJGBYVILHN-LSDHHAIUSA-N 1 3 340.512 1.835 20 0 EDADHO Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414699504 304129151 /nfs/dbraw/zinc/12/91/51/304129151.db2.gz ILFYUNYQYVRVNO-KRWDZBQOSA-N 1 3 333.476 1.893 20 0 EDADHO Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414699504 304129152 /nfs/dbraw/zinc/12/91/52/304129152.db2.gz ILFYUNYQYVRVNO-KRWDZBQOSA-N 1 3 333.476 1.893 20 0 EDADHO COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414696637 304129044 /nfs/dbraw/zinc/12/90/44/304129044.db2.gz GSORGXLIPYFITA-OAHLLOKOSA-N 1 3 333.432 1.102 20 0 EDADHO COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414696637 304129047 /nfs/dbraw/zinc/12/90/47/304129047.db2.gz GSORGXLIPYFITA-OAHLLOKOSA-N 1 3 333.432 1.102 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000414700988 304129761 /nfs/dbraw/zinc/12/97/61/304129761.db2.gz JVSGPQMFLVKRLH-UONOGXRCSA-N 1 3 332.448 1.635 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000414741420 304135730 /nfs/dbraw/zinc/13/57/30/304135730.db2.gz KXJSAUIQACIJGI-LSDHHAIUSA-N 1 3 346.475 1.581 20 0 EDADHO CCOC(=O)c1nnc(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)[n-]1 ZINC000414755646 304137159 /nfs/dbraw/zinc/13/71/59/304137159.db2.gz IBGRXBPDIKQPCG-CHWSQXEVSA-N 1 3 335.452 1.549 20 0 EDADHO CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414755646 304137161 /nfs/dbraw/zinc/13/71/61/304137161.db2.gz IBGRXBPDIKQPCG-CHWSQXEVSA-N 1 3 335.452 1.549 20 0 EDADHO Cc1nn(C)c(OCC(F)(F)F)c1CNCCCN1CC[NH2+]CC1 ZINC000414774788 304139332 /nfs/dbraw/zinc/13/93/32/304139332.db2.gz BQCSMEHXXFWMPZ-UHFFFAOYSA-N 1 3 349.401 1.055 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414793135 304141343 /nfs/dbraw/zinc/14/13/43/304141343.db2.gz DFJCSESKHQGTER-UHFFFAOYSA-N 1 3 330.432 1.171 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415055491 304155002 /nfs/dbraw/zinc/15/50/02/304155002.db2.gz NDELXITVAABLKG-BIENJYKASA-N 1 3 329.444 1.978 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415055491 304155004 /nfs/dbraw/zinc/15/50/04/304155004.db2.gz NDELXITVAABLKG-BIENJYKASA-N 1 3 329.444 1.978 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000415055491 304155005 /nfs/dbraw/zinc/15/50/05/304155005.db2.gz NDELXITVAABLKG-BIENJYKASA-N 1 3 329.444 1.978 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567048774 306436178 /nfs/dbraw/zinc/43/61/78/306436178.db2.gz QCGQVDMYLBFDJT-KRWDZBQOSA-N 1 3 337.489 1.512 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCOc2ccc(F)cc2F)C1 ZINC000415089721 304158859 /nfs/dbraw/zinc/15/88/59/304158859.db2.gz WOSLHNVWHFOKCM-LBPRGKRZSA-N 1 3 327.375 1.131 20 0 EDADHO CCCNC(=O)C1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000415116603 304161206 /nfs/dbraw/zinc/16/12/06/304161206.db2.gz UXNRSIRUVUPMNT-OAHLLOKOSA-N 1 3 338.496 1.002 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194829858 139000973 /nfs/dbraw/zinc/00/09/73/139000973.db2.gz GTGRLLIOPMFVOX-STQMWFEESA-N 1 3 340.493 1.264 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000195271943 139012022 /nfs/dbraw/zinc/01/20/22/139012022.db2.gz JCFAEYFGLVZGNI-CALCHBBNSA-N 1 3 328.460 1.120 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000236994709 139037559 /nfs/dbraw/zinc/03/75/59/139037559.db2.gz MFMSFRCZIPJNMS-HZPDHXFCSA-N 1 3 330.476 1.651 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@H]3C)cc2)CC1 ZINC000236994709 139037560 /nfs/dbraw/zinc/03/75/60/139037560.db2.gz MFMSFRCZIPJNMS-HZPDHXFCSA-N 1 3 330.476 1.651 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000415227440 304176275 /nfs/dbraw/zinc/17/62/75/304176275.db2.gz KAZOADSAURUNEF-RHSMWYFYSA-N 1 3 344.459 1.430 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246698 304178280 /nfs/dbraw/zinc/17/82/80/304178280.db2.gz XQJKISCFVOMGSK-JJRVBVJISA-N 1 3 344.459 1.273 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245417065 139073492 /nfs/dbraw/zinc/07/34/92/139073492.db2.gz FRZKJZASWULDFR-IRXDYDNUSA-N 1 3 338.496 1.225 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415281672 304184454 /nfs/dbraw/zinc/18/44/54/304184454.db2.gz LDPYLFPVPJPFPS-HNNXBMFYSA-N 1 3 346.475 1.187 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)c1 ZINC000415401787 304214250 /nfs/dbraw/zinc/21/42/50/304214250.db2.gz XWMMPOBJLCLILE-INIZCTEOSA-N 1 3 346.475 1.535 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000249073326 139184551 /nfs/dbraw/zinc/18/45/51/139184551.db2.gz MDXAETDLYGOOCG-RKVPGOIHSA-N 1 3 325.497 1.756 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000249073326 139184552 /nfs/dbraw/zinc/18/45/52/139184552.db2.gz MDXAETDLYGOOCG-RKVPGOIHSA-N 1 3 325.497 1.756 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000261643937 139213852 /nfs/dbraw/zinc/21/38/52/139213852.db2.gz GQGBTTAMSZULJV-KRWDZBQOSA-N 1 3 335.423 1.537 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261710175 139219532 /nfs/dbraw/zinc/21/95/32/139219532.db2.gz GEQDFNINJFJFRV-UHFFFAOYSA-N 1 3 331.460 1.843 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)ccc1OCCN1CCCC1 ZINC000261730934 139221404 /nfs/dbraw/zinc/22/14/04/139221404.db2.gz JVUVDQKDQXULDD-AEFFLSMTSA-N 1 3 347.459 1.914 20 0 EDADHO COc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793190 139226599 /nfs/dbraw/zinc/22/65/99/139226599.db2.gz ZDNSYDRCQGCAIM-CQSZACIVSA-N 1 3 341.402 1.776 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc21 ZINC000261840108 139230541 /nfs/dbraw/zinc/23/05/41/139230541.db2.gz QNPZJSOKUZCIAZ-SFHVURJKSA-N 1 3 344.459 1.895 20 0 EDADHO CN(C)c1ccccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261892423 139234503 /nfs/dbraw/zinc/23/45/03/139234503.db2.gz QRUFIYJKLZFCMK-AEFFLSMTSA-N 1 3 344.503 1.833 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccsc1 ZINC000261925016 139237650 /nfs/dbraw/zinc/23/76/50/139237650.db2.gz ZDOOUUFRXTULRT-ILXRZTDVSA-N 1 3 325.478 1.754 20 0 EDADHO C[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000261937659 139238501 /nfs/dbraw/zinc/23/85/01/139238501.db2.gz ZTDLGUGPYXKJRH-OAHLLOKOSA-N 1 3 334.464 1.013 20 0 EDADHO Cc1ncsc1CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965787 139240559 /nfs/dbraw/zinc/24/05/59/139240559.db2.gz YILNQKRRCDACQB-LSDHHAIUSA-N 1 3 336.505 1.574 20 0 EDADHO CN(C(=O)NCC1(N2CCSCC2)CCCC1)C1CC([NH3+])C1 ZINC000569213627 306499821 /nfs/dbraw/zinc/49/98/21/306499821.db2.gz OTOAQIZPDRKCDV-UHFFFAOYSA-N 1 3 326.510 1.479 20 0 EDADHO C[C@@H](CCNC(=O)[C@H](N)C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000262017118 139244084 /nfs/dbraw/zinc/24/40/84/139244084.db2.gz ONKQQBUGEQFMMZ-MAUKXSAKSA-N 1 3 333.476 1.767 20 0 EDADHO C[C@@H](CCNC(=O)[C@H](N)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000262017118 139244085 /nfs/dbraw/zinc/24/40/85/139244085.db2.gz ONKQQBUGEQFMMZ-MAUKXSAKSA-N 1 3 333.476 1.767 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000262070103 139248333 /nfs/dbraw/zinc/24/83/33/139248333.db2.gz SACIQKAQZFRGSR-CQSZACIVSA-N 1 3 347.488 1.753 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262152233 139255594 /nfs/dbraw/zinc/25/55/94/139255594.db2.gz HUWHEFRATKHCJG-MRXNPFEDSA-N 1 3 333.480 1.343 20 0 EDADHO CN(CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873024 251113716 /nfs/dbraw/zinc/11/37/16/251113716.db2.gz MXSBDUDPFGDVAM-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N(CC[NH3+])CCO)c1ccsc1 ZINC000417011688 251129913 /nfs/dbraw/zinc/12/99/13/251129913.db2.gz SPURBRCCEFABJV-AWEZNQCLSA-N 1 3 328.482 1.094 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NCCC[NH2+]C)cc2)CC1 ZINC000416996729 251123062 /nfs/dbraw/zinc/12/30/62/251123062.db2.gz VASKCOHYRZOBDM-UHFFFAOYSA-N 1 3 347.507 1.233 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417204014 251146367 /nfs/dbraw/zinc/14/63/67/251146367.db2.gz ZLBWUDTYVLCOJH-UJJTZGENSA-N 1 3 330.476 1.742 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)N(C)C)cc1 ZINC000417318326 251158230 /nfs/dbraw/zinc/15/82/30/251158230.db2.gz YMDFVTISKZNQIO-DLBZAZTESA-N 1 3 334.464 1.357 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417542848 251184279 /nfs/dbraw/zinc/18/42/79/251184279.db2.gz FBHHCPSEYVQOIQ-DZGCQCFKSA-N 1 3 326.485 1.173 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417556627 251187246 /nfs/dbraw/zinc/18/72/46/251187246.db2.gz PAPQWJLCNSKUNP-UONOGXRCSA-N 1 3 332.439 1.937 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417556627 251187250 /nfs/dbraw/zinc/18/72/50/251187250.db2.gz PAPQWJLCNSKUNP-UONOGXRCSA-N 1 3 332.439 1.937 20 0 EDADHO CCCN(C(=O)NC1CCN(CCCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417435505 251172695 /nfs/dbraw/zinc/17/26/95/251172695.db2.gz BSLPRQWCKMQSSM-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417579771 251196651 /nfs/dbraw/zinc/19/66/51/251196651.db2.gz BHHFIWWMRAGIHQ-QGZVFWFLSA-N 1 3 333.480 1.735 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657491 251215749 /nfs/dbraw/zinc/21/57/49/251215749.db2.gz WDUNDOZOFYXGPH-KSZLIROESA-N 1 3 328.460 1.512 20 0 EDADHO [NH3+]CCCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622559 251206690 /nfs/dbraw/zinc/20/66/90/251206690.db2.gz HKCUZFCOMVWQDT-UHFFFAOYSA-N 1 3 328.526 1.776 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000418078527 251320829 /nfs/dbraw/zinc/32/08/29/251320829.db2.gz WJEBDBMTCXXUNV-ROUUACIJSA-N 1 3 346.475 1.314 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CCCCN1C1CC1 ZINC000418120146 251332523 /nfs/dbraw/zinc/33/25/23/251332523.db2.gz VGGBJRUMVYTDPH-GOSISDBHSA-N 1 3 345.491 1.877 20 0 EDADHO C[NH2+]CC1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000262578491 139287859 /nfs/dbraw/zinc/28/78/59/139287859.db2.gz YOVVGAYXEYFZDP-UHFFFAOYSA-N 1 3 325.478 1.368 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000262625265 139291034 /nfs/dbraw/zinc/29/10/34/139291034.db2.gz BENHFAYAWOWDDN-DLBZAZTESA-N 1 3 331.460 1.387 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262672688 139295327 /nfs/dbraw/zinc/29/53/27/139295327.db2.gz SIFLGFZWSUZCOC-ROUUACIJSA-N 1 3 333.476 1.532 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000262685353 139296188 /nfs/dbraw/zinc/29/61/88/139296188.db2.gz XQLMYCWDCAFWAG-HOTGVXAUSA-N 1 3 344.459 1.450 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262722667 139298973 /nfs/dbraw/zinc/29/89/73/139298973.db2.gz GCRQSSWVQLNJKF-CRAIPNDOSA-N 1 3 333.476 1.676 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320360 252046583 /nfs/dbraw/zinc/04/65/83/252046583.db2.gz GDBWLNYMBZRYNO-NVXWUHKLSA-N 1 3 339.505 1.873 20 0 EDADHO CN(CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000423354350 252050485 /nfs/dbraw/zinc/05/04/85/252050485.db2.gz NIESUNFMISIBAQ-MRXNPFEDSA-N 1 3 341.459 1.739 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000423645285 252063966 /nfs/dbraw/zinc/06/39/66/252063966.db2.gz KSFFZGFLXFWHCL-WMZOPIPTSA-N 1 3 330.476 1.537 20 0 EDADHO C[C@@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422911215 252020672 /nfs/dbraw/zinc/02/06/72/252020672.db2.gz KJEMAGVEFCHWRR-MSOLQXFVSA-N 1 3 344.503 1.703 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858060 252093443 /nfs/dbraw/zinc/09/34/43/252093443.db2.gz YTUIPHWZKSDKBH-YTQUADARSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCCCCC1 ZINC000423994279 252110317 /nfs/dbraw/zinc/11/03/17/252110317.db2.gz CBEOZRWZBZWLPU-GDBMZVCRSA-N 1 3 334.468 1.165 20 0 EDADHO CC(C)(CC[NH3+])NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000424049745 252125084 /nfs/dbraw/zinc/12/50/84/252125084.db2.gz YPBGVCNTOFAIEF-UHFFFAOYSA-N 1 3 332.492 1.832 20 0 EDADHO [NH3+]C[C@H](CN1CCN(CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000424306212 252194668 /nfs/dbraw/zinc/19/46/68/252194668.db2.gz UPOFHYIEYJXTKQ-GOSISDBHSA-N 1 3 335.467 1.912 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1CN(C)C ZINC000415609861 304238364 /nfs/dbraw/zinc/23/83/64/304238364.db2.gz HMMKLVTVWGCJBG-LRDDRELGSA-N 1 3 332.448 1.109 20 0 EDADHO COC1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000164614135 532972255 /nfs/dbraw/zinc/97/22/55/532972255.db2.gz DMOCQTNKXADLGE-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111865057 285032887 /nfs/dbraw/zinc/03/28/87/285032887.db2.gz MWHSLCDPBSDQIM-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415655734 304249331 /nfs/dbraw/zinc/24/93/31/304249331.db2.gz OGQURQYVLNJICZ-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO O=C1O[C@]2(CN1CN1CCN(C3CCCC3)CC1)C[NH+]1CCC2CC1 ZINC000496909812 296412638 /nfs/dbraw/zinc/41/26/38/296412638.db2.gz NLTXCXIKRSQYRR-IBGZPJMESA-N 1 3 348.491 1.421 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000487524650 255031873 /nfs/dbraw/zinc/03/18/73/255031873.db2.gz XXAIFOJDMSHPSE-AZUAARDMSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524650 255031874 /nfs/dbraw/zinc/03/18/74/255031874.db2.gz XXAIFOJDMSHPSE-AZUAARDMSA-N 1 3 344.503 1.897 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C\CN(C)C)c1 ZINC000491847690 255151927 /nfs/dbraw/zinc/15/19/27/255151927.db2.gz RGYQHGOMKXIKLW-FLIBITNWSA-N 1 3 346.475 1.815 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cnn(C)c1C ZINC000492301720 255168830 /nfs/dbraw/zinc/16/88/30/255168830.db2.gz OFEQBKSZYCHMNP-HJCTWCACSA-N 1 3 347.507 1.616 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cnn(C)c1C ZINC000492301720 255168831 /nfs/dbraw/zinc/16/88/31/255168831.db2.gz OFEQBKSZYCHMNP-HJCTWCACSA-N 1 3 347.507 1.616 20 0 EDADHO COC(=O)Nc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000495600640 255307443 /nfs/dbraw/zinc/30/74/43/255307443.db2.gz ATJLHROOVQQWIK-UHFFFAOYSA-N 1 3 336.436 1.430 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1CN(C)C ZINC000415804927 304275672 /nfs/dbraw/zinc/27/56/72/304275672.db2.gz IMLBDIBICUIWJH-ZBFHGGJFSA-N 1 3 346.475 1.629 20 0 EDADHO COC[C@](C)(O)C[NH2+][C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000571498161 306567149 /nfs/dbraw/zinc/56/71/49/306567149.db2.gz LFIVVVWGAGPFDD-SJLPKXTDSA-N 1 3 334.460 1.962 20 0 EDADHO CN1CC[C@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299867 /nfs/dbraw/zinc/29/98/67/304299867.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 1 3 343.471 1.366 20 0 EDADHO CN1CC[C@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299868 /nfs/dbraw/zinc/29/98/68/304299868.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 1 3 343.471 1.366 20 0 EDADHO C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272083125 140397730 /nfs/dbraw/zinc/39/77/30/140397730.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 1 3 328.460 1.822 20 0 EDADHO C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272083125 140397732 /nfs/dbraw/zinc/39/77/32/140397732.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 1 3 328.460 1.822 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000333305010 141295871 /nfs/dbraw/zinc/29/58/71/141295871.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000333305010 141295873 /nfs/dbraw/zinc/29/58/73/141295873.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000333448052 141318390 /nfs/dbraw/zinc/31/83/90/141318390.db2.gz XCMXGFXCNNMHGM-HNNXBMFYSA-N 1 3 340.537 1.789 20 0 EDADHO C[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333672680 141354191 /nfs/dbraw/zinc/35/41/91/141354191.db2.gz NKPIRGZKBRLSMR-WBVHZDCISA-N 1 3 338.496 1.128 20 0 EDADHO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000339277025 142000935 /nfs/dbraw/zinc/00/09/35/142000935.db2.gz WKXDEFIZQLLUSW-HZPDHXFCSA-N 1 3 326.481 1.935 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000344903527 143025392 /nfs/dbraw/zinc/02/53/92/143025392.db2.gz GFYKEDWZFHUFDV-MRXNPFEDSA-N 1 3 330.542 1.797 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000345143768 143057023 /nfs/dbraw/zinc/05/70/23/143057023.db2.gz ROLKMADSMLCQTP-KRWDZBQOSA-N 1 3 341.544 1.243 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346227116 143180998 /nfs/dbraw/zinc/18/09/98/143180998.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346227116 143180999 /nfs/dbraw/zinc/18/09/99/143180999.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 1 3 340.512 1.467 20 0 EDADHO Cc1nccn1CCN1CC[N@H+](CCn2ccnc2C)CC1(C)C ZINC000346271577 143185743 /nfs/dbraw/zinc/18/57/43/143185743.db2.gz FUHUTKOQJVGAHF-UHFFFAOYSA-N 1 3 330.480 1.793 20 0 EDADHO Cc1nccn1CCN1CC[N@@H+](CCn2ccnc2C)CC1(C)C ZINC000346271577 143185744 /nfs/dbraw/zinc/18/57/44/143185744.db2.gz FUHUTKOQJVGAHF-UHFFFAOYSA-N 1 3 330.480 1.793 20 0 EDADHO COc1ccsc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645538 143225840 /nfs/dbraw/zinc/22/58/40/143225840.db2.gz DTURTFVXGUXEMQ-ZIAGYGMSSA-N 1 3 337.489 1.837 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682757 143231345 /nfs/dbraw/zinc/23/13/45/143231345.db2.gz PNQHVGDLEJIOCT-WMLDXEAASA-N 1 3 341.459 1.643 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCOC)CCN(C)C ZINC000347478819 143326738 /nfs/dbraw/zinc/32/67/38/143326738.db2.gz GJSLKOHWDHDPPN-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCOC)CCN(C)C ZINC000347478819 143326739 /nfs/dbraw/zinc/32/67/39/143326739.db2.gz GJSLKOHWDHDPPN-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348083448 143398867 /nfs/dbraw/zinc/39/88/67/143398867.db2.gz YHIZTSMMQYLKMR-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000341417785 292168518 /nfs/dbraw/zinc/16/85/18/292168518.db2.gz BPUPFVCBWKBJNX-CQSZACIVSA-N 1 3 328.501 1.515 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCNC(C)(C)C2)[C@H](C)C1 ZINC000417670593 286060566 /nfs/dbraw/zinc/06/05/66/286060566.db2.gz OJUKUQJRKAZFGC-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCNC(C)(C)C2)[C@H](C)C1 ZINC000417670593 286060567 /nfs/dbraw/zinc/06/05/67/286060567.db2.gz OJUKUQJRKAZFGC-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416856041 304352120 /nfs/dbraw/zinc/35/21/20/304352120.db2.gz QRDUAUPGTLSVQF-AEFFLSMTSA-N 1 3 346.475 1.883 20 0 EDADHO CCCN(CCN1CCCCC1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000353154277 149305562 /nfs/dbraw/zinc/30/55/62/149305562.db2.gz MAOKBQGEZMYDAY-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416968484 304357003 /nfs/dbraw/zinc/35/70/03/304357003.db2.gz JDPWJZWYEHOBRW-FUHWJXTLSA-N 1 3 348.491 1.944 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416977678 304359728 /nfs/dbraw/zinc/35/97/28/304359728.db2.gz UCOMDEWHEDDEBN-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO COCC1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC[NH2+]CC1 ZINC000262324512 292218478 /nfs/dbraw/zinc/21/84/78/292218478.db2.gz DBPNUGLTKZJSGB-QGZVFWFLSA-N 1 3 333.476 1.730 20 0 EDADHO CN(C)CC1(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCC1 ZINC000355327463 150218627 /nfs/dbraw/zinc/21/86/27/150218627.db2.gz QIQLKRPFKKRUCX-UHFFFAOYSA-N 1 3 325.478 1.511 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417030865 304362551 /nfs/dbraw/zinc/36/25/51/304362551.db2.gz WYAUCDIHDGPSHV-DLBZAZTESA-N 1 3 347.507 1.229 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417046046 304366355 /nfs/dbraw/zinc/36/63/55/304366355.db2.gz ZDTQVXCWHVQHSH-CRAIPNDOSA-N 1 3 330.476 1.732 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000417050508 304366918 /nfs/dbraw/zinc/36/69/18/304366918.db2.gz KKDDQFUHIACGCS-QGZVFWFLSA-N 1 3 347.507 1.544 20 0 EDADHO CSC1(CNC(=O)NC2CC[NH+](C(C)C)CC2)CCN(C)CC1 ZINC000357619105 151087396 /nfs/dbraw/zinc/08/73/96/151087396.db2.gz CIVFQJOMLWUYRA-UHFFFAOYSA-N 1 3 342.553 1.986 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417118184 304374163 /nfs/dbraw/zinc/37/41/63/304374163.db2.gz RJCAMKSSBDTVCB-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO COc1ccc(CNC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000360572042 152102473 /nfs/dbraw/zinc/10/24/73/152102473.db2.gz ISKJODPDTKJXRN-LSDHHAIUSA-N 1 3 348.447 1.181 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417138637 304376800 /nfs/dbraw/zinc/37/68/00/304376800.db2.gz OSTDVNPEGAQWMW-IAGOWNOFSA-N 1 3 331.464 1.487 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000417138637 304376803 /nfs/dbraw/zinc/37/68/03/304376803.db2.gz OSTDVNPEGAQWMW-IAGOWNOFSA-N 1 3 331.464 1.487 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365293 /nfs/dbraw/zinc/36/52/93/152365293.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 1 3 327.513 1.435 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365295 /nfs/dbraw/zinc/36/52/95/152365295.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 1 3 327.513 1.435 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000417159358 304379104 /nfs/dbraw/zinc/37/91/04/304379104.db2.gz XEXGIBKDVKVHIH-KRWDZBQOSA-N 1 3 345.491 1.250 20 0 EDADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863379 153078958 /nfs/dbraw/zinc/07/89/58/153078958.db2.gz UGJLQEIYZAFAKI-HNAYVOBHSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863379 153078959 /nfs/dbraw/zinc/07/89/59/153078959.db2.gz UGJLQEIYZAFAKI-HNAYVOBHSA-N 1 3 342.487 1.893 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364061492 153135613 /nfs/dbraw/zinc/13/56/13/153135613.db2.gz PIBZSKQLPAZVOY-INIZCTEOSA-N 1 3 331.460 1.937 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364061492 153135614 /nfs/dbraw/zinc/13/56/14/153135614.db2.gz PIBZSKQLPAZVOY-INIZCTEOSA-N 1 3 331.460 1.937 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N1CCC(C)CC1 ZINC000417304018 304391848 /nfs/dbraw/zinc/39/18/48/304391848.db2.gz FANGUKYXDDXJEV-INIZCTEOSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326564 304392148 /nfs/dbraw/zinc/39/21/48/304392148.db2.gz KIXIOTJAQLDPFC-HZPDHXFCSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372333706 156339330 /nfs/dbraw/zinc/33/93/30/156339330.db2.gz SAFDERRVNPQRPA-HOJAQTOUSA-N 1 3 331.504 1.852 20 0 EDADHO CCN(CC)CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373982847 157092950 /nfs/dbraw/zinc/09/29/50/157092950.db2.gz NMNVVVFYVDZHGV-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO CCN(CC)CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373982847 157092952 /nfs/dbraw/zinc/09/29/52/157092952.db2.gz NMNVVVFYVDZHGV-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000374146904 157164765 /nfs/dbraw/zinc/16/47/65/157164765.db2.gz YGBKFTPXFPKFCL-IYBDPMFKSA-N 1 3 337.508 1.676 20 0 EDADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285813 157226856 /nfs/dbraw/zinc/22/68/56/157226856.db2.gz DLOPGKUYCFXWFK-KGLIPLIRSA-N 1 3 336.480 1.417 20 0 EDADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285813 157226861 /nfs/dbraw/zinc/22/68/61/157226861.db2.gz DLOPGKUYCFXWFK-KGLIPLIRSA-N 1 3 336.480 1.417 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417549576 304426847 /nfs/dbraw/zinc/42/68/47/304426847.db2.gz TZHREFHUPHTGDR-GJZGRUSLSA-N 1 3 340.512 1.645 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000372075889 162452069 /nfs/dbraw/zinc/45/20/69/162452069.db2.gz CKJPCJZMIRXQRO-RBUKOAKNSA-N 1 3 344.503 1.703 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000067612940 287246356 /nfs/dbraw/zinc/24/63/56/287246356.db2.gz VGQZZQQNBSIBHF-KRWDZBQOSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@@]1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000121731528 287374087 /nfs/dbraw/zinc/37/40/87/287374087.db2.gz USUXEAARFFRQHZ-FQEVSTJZSA-N 1 3 344.503 1.453 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)CNC[C@H]3CCCO3)cc21 ZINC000169235041 226235326 /nfs/dbraw/zinc/23/53/26/226235326.db2.gz BTWCOCRAKZTLAE-QGZVFWFLSA-N 1 3 344.459 1.910 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000418379029 304488466 /nfs/dbraw/zinc/48/84/66/304488466.db2.gz IRDYHEMUANEOSB-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122038281 222000543 /nfs/dbraw/zinc/00/05/43/222000543.db2.gz WRUVQMYTRJURRB-KURKYZTESA-N 1 3 337.508 1.745 20 0 EDADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1C ZINC000122271118 222050850 /nfs/dbraw/zinc/05/08/50/222050850.db2.gz POOKQRCGLZUREQ-UHFFFAOYSA-N 1 3 334.468 1.409 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000122352064 222067978 /nfs/dbraw/zinc/06/79/78/222067978.db2.gz URFOMJPEAZAUDV-IEBWSBKVSA-N 1 3 348.491 1.263 20 0 EDADHO CC[C@@H](CCO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000123075650 222210250 /nfs/dbraw/zinc/21/02/50/222210250.db2.gz OMTUQPHJSYJLMX-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO CCC[NH2+]CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078402 276017317 /nfs/dbraw/zinc/01/73/17/276017317.db2.gz VTADDYDMQLJYHJ-GOSISDBHSA-N 1 3 348.491 1.576 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857731 276018683 /nfs/dbraw/zinc/01/86/83/276018683.db2.gz YEZLPQDOFMLTTP-SJLPKXTDSA-N 1 3 333.476 1.782 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000372102683 276196936 /nfs/dbraw/zinc/19/69/36/276196936.db2.gz PVPBLPIEOYULNR-IBGZPJMESA-N 1 3 348.466 1.142 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000347499356 276200541 /nfs/dbraw/zinc/20/05/41/276200541.db2.gz KFEQXDJPJRYHMV-SFHVURJKSA-N 1 3 328.460 1.142 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC000360771071 276203627 /nfs/dbraw/zinc/20/36/27/276203627.db2.gz HEIRHUXPMHJOCE-MOPGFXCFSA-N 1 3 347.503 1.563 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CNC[C@H](O)C(F)F)CC1 ZINC000344758009 276263155 /nfs/dbraw/zinc/26/31/55/276263155.db2.gz JAYNQTAHJXWDKE-INIZCTEOSA-N 1 3 327.419 1.934 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417813416 277679163 /nfs/dbraw/zinc/67/91/63/277679163.db2.gz QYAWHCXBPPKPKQ-INIZCTEOSA-N 1 3 326.485 1.399 20 0 EDADHO C[C@H](NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H]1CC[NH2+]C1 ZINC000423008012 278265507 /nfs/dbraw/zinc/26/55/07/278265507.db2.gz SEYLCYNZGAMIJS-WNHJNPCNSA-N 1 3 342.487 1.173 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418640639 288073355 /nfs/dbraw/zinc/07/33/55/288073355.db2.gz RBXTZRGGSOKDCK-OLMNPRSZSA-N 1 3 330.476 1.855 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418640639 288073356 /nfs/dbraw/zinc/07/33/56/288073356.db2.gz RBXTZRGGSOKDCK-OLMNPRSZSA-N 1 3 330.476 1.855 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000359556326 279177487 /nfs/dbraw/zinc/17/74/87/279177487.db2.gz VLXRVVIQVAORKA-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417860122 280165550 /nfs/dbraw/zinc/16/55/50/280165550.db2.gz XRXIXWONFNNXPY-MRXNPFEDSA-N 1 3 334.464 1.180 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000288810112 288572511 /nfs/dbraw/zinc/57/25/11/288572511.db2.gz SMAUNBVIPYFXIO-ZDUSSCGKSA-N 1 3 337.420 1.154 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759312 289399796 /nfs/dbraw/zinc/39/97/96/289399796.db2.gz ZBNLHMNXQVCXSC-VYDXJSESSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759312 289399801 /nfs/dbraw/zinc/39/98/01/289399801.db2.gz ZBNLHMNXQVCXSC-VYDXJSESSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO)c1ccccc1 ZINC000292908395 289469921 /nfs/dbraw/zinc/46/99/21/289469921.db2.gz AWWQXVIPRKBZFH-HKUYNNGSSA-N 1 3 347.503 1.792 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000341214342 297271111 /nfs/dbraw/zinc/27/11/11/297271111.db2.gz YSCBBYRKFKZJNY-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC[N@H+]1C ZINC000341214342 297271114 /nfs/dbraw/zinc/27/11/14/297271114.db2.gz YSCBBYRKFKZJNY-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000418800991 304531994 /nfs/dbraw/zinc/53/19/94/304531994.db2.gz XBODYRNWRZOUAX-SFHVURJKSA-N 1 3 348.491 1.447 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419025896 304556577 /nfs/dbraw/zinc/55/65/77/304556577.db2.gz ZPHBLNABLLOCMG-OAHLLOKOSA-N 1 3 346.475 1.013 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642159 447313966 /nfs/dbraw/zinc/31/39/66/447313966.db2.gz FNJQDBOOYBDERZ-KBPBESRZSA-N 1 3 334.464 1.086 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000294995257 303160773 /nfs/dbraw/zinc/16/07/73/303160773.db2.gz HVSWJEAYZJXSMF-OAHLLOKOSA-N 1 3 333.476 1.648 20 0 EDADHO [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000417312552 303380807 /nfs/dbraw/zinc/38/08/07/303380807.db2.gz SMXWNGVHHRZYNO-QGZVFWFLSA-N 1 3 334.464 1.004 20 0 EDADHO [NH3+]CC[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(F)F ZINC000417670557 303388299 /nfs/dbraw/zinc/38/82/99/303388299.db2.gz OWNBJFLKTTYUEX-CABCVRRESA-N 1 3 340.418 1.933 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C)C(C)C ZINC000422098308 447345972 /nfs/dbraw/zinc/34/59/72/447345972.db2.gz BUENOYPDVWLYLF-MRXNPFEDSA-N 1 3 340.512 1.116 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156736 304888776 /nfs/dbraw/zinc/88/87/76/304888776.db2.gz UDWACBMWJLVLKK-HNAWSFBYSA-N 1 3 343.471 1.695 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424017255 304925379 /nfs/dbraw/zinc/92/53/79/304925379.db2.gz FUIBAVCGATVVOF-WBVHZDCISA-N 1 3 332.492 1.470 20 0 EDADHO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994719 305021930 /nfs/dbraw/zinc/02/19/30/305021930.db2.gz FWUZBQKEILNYOC-JTDSTZFVSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994719 305021931 /nfs/dbraw/zinc/02/19/31/305021931.db2.gz FWUZBQKEILNYOC-JTDSTZFVSA-N 1 3 348.535 1.392 20 0 EDADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620025 305059508 /nfs/dbraw/zinc/05/95/08/305059508.db2.gz BQVVKSHPJOWLKZ-GOSISDBHSA-N 1 3 348.466 1.678 20 0 EDADHO NC[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430620025 305059509 /nfs/dbraw/zinc/05/95/09/305059509.db2.gz BQVVKSHPJOWLKZ-GOSISDBHSA-N 1 3 348.466 1.678 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000430721203 305063265 /nfs/dbraw/zinc/06/32/65/305063265.db2.gz KYTRXAIXUMKXPY-MQVJKMGUSA-N 1 3 337.508 1.913 20 0 EDADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCN1CCc2ccccc21 ZINC000431035698 305073327 /nfs/dbraw/zinc/07/33/27/305073327.db2.gz BSTREEXFZKCTRI-UHFFFAOYSA-N 1 3 342.487 1.241 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000431048381 305073726 /nfs/dbraw/zinc/07/37/26/305073726.db2.gz JULHEIWOSXNGCY-KURKYZTESA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000431048381 305073727 /nfs/dbraw/zinc/07/37/27/305073727.db2.gz JULHEIWOSXNGCY-KURKYZTESA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000432415055 305093109 /nfs/dbraw/zinc/09/31/09/305093109.db2.gz USRXHYKIZCBNKV-HZPDHXFCSA-N 1 3 344.463 1.814 20 0 EDADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000432415055 305093110 /nfs/dbraw/zinc/09/31/10/305093110.db2.gz USRXHYKIZCBNKV-HZPDHXFCSA-N 1 3 344.463 1.814 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000434684562 305127669 /nfs/dbraw/zinc/12/76/69/305127669.db2.gz LQYZBBFECCXFSI-UKRRQHHQSA-N 1 3 332.448 1.450 20 0 EDADHO CC(C)N(C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559895 305142300 /nfs/dbraw/zinc/14/23/00/305142300.db2.gz RNMBQJRRQGWYLF-HNNXBMFYSA-N 1 3 333.480 1.231 20 0 EDADHO C[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000435944692 305149845 /nfs/dbraw/zinc/14/98/45/305149845.db2.gz SVSGTHUOVHDGQD-FGTMMUONSA-N 1 3 336.524 1.488 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436282994 305155317 /nfs/dbraw/zinc/15/53/17/305155317.db2.gz IQIVCFOTTNOPGH-OXQOHEQNSA-N 1 3 343.471 1.972 20 0 EDADHO C[C@@H](NC(=O)NC[C@@]1(N(C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234291 305237312 /nfs/dbraw/zinc/23/73/12/305237312.db2.gz FLXFNSGWHWZBDH-CJNGLKHVSA-N 1 3 330.542 1.699 20 0 EDADHO CC1(C)CCCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000444612199 305251712 /nfs/dbraw/zinc/25/17/12/305251712.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC1(C)CCCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000444612199 305251713 /nfs/dbraw/zinc/25/17/13/305251713.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(NCCCNCc1cccnc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449071320 305305571 /nfs/dbraw/zinc/30/55/71/305305571.db2.gz AWZCAXMEEWFQNC-FQEVSTJZSA-N 1 3 338.455 1.609 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000449337514 305311948 /nfs/dbraw/zinc/31/19/48/305311948.db2.gz BWTOPZDVKYPMAD-FRFSOERESA-N 1 3 344.459 1.178 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCOCC1 ZINC000660711094 453539362 /nfs/dbraw/zinc/53/93/62/453539362.db2.gz URHCDEKZJPEXQV-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@H](C(=O)N[C@H](CN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000489581598 305564790 /nfs/dbraw/zinc/56/47/90/305564790.db2.gz KCOPXQHQCFNBLJ-BZUAXINKSA-N 1 3 342.528 1.266 20 0 EDADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000507533774 305697441 /nfs/dbraw/zinc/69/74/41/305697441.db2.gz TZUKRZJFXAHRNW-NEWSRXKRSA-N 1 3 347.503 1.680 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932928 447361773 /nfs/dbraw/zinc/36/17/73/447361773.db2.gz WFDPLFIDSJZMNH-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414931240 447362196 /nfs/dbraw/zinc/36/21/96/447362196.db2.gz UIQDIOXCIPDBFI-OAHLLOKOSA-N 1 3 332.448 1.287 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000414944489 447366877 /nfs/dbraw/zinc/36/68/77/447366877.db2.gz OEXCJCDBFWNQGT-CJNGLKHVSA-N 1 3 332.448 1.143 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1CN2CCN1CCC2 ZINC000535723472 306014979 /nfs/dbraw/zinc/01/49/79/306014979.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 1 3 348.535 1.537 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CN2CCN1CCC2 ZINC000535723472 306014980 /nfs/dbraw/zinc/01/49/80/306014980.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 1 3 348.535 1.537 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000535834524 306017970 /nfs/dbraw/zinc/01/79/70/306017970.db2.gz GGENMPLERFKBGB-DLBZAZTESA-N 1 3 327.513 1.706 20 0 EDADHO COc1cccc2[nH]cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c21 ZINC000541851504 306047891 /nfs/dbraw/zinc/04/78/91/306047891.db2.gz ZEBFCGUZRXXQAC-UHFFFAOYSA-N 1 3 346.475 1.671 20 0 EDADHO CN(CCC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccncc1 ZINC000543712461 306067613 /nfs/dbraw/zinc/06/76/13/306067613.db2.gz VMCOJXXNKKLSEW-UHFFFAOYSA-N 1 3 346.475 1.669 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000414944102 447367831 /nfs/dbraw/zinc/36/78/31/447367831.db2.gz NJLUIYDJYDHATP-CZUORRHYSA-N 1 3 332.448 1.189 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557135833 306224802 /nfs/dbraw/zinc/22/48/02/306224802.db2.gz SVUXCCGKBKTFGC-FCGDIQPGSA-N 1 3 342.487 1.948 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000557214711 306226508 /nfs/dbraw/zinc/22/65/08/306226508.db2.gz HARFHQNNDRRJSD-SFHVURJKSA-N 1 3 348.491 1.441 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458445450 447372740 /nfs/dbraw/zinc/37/27/40/447372740.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458445450 447372745 /nfs/dbraw/zinc/37/27/45/447372745.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000414964031 447376623 /nfs/dbraw/zinc/37/66/23/447376623.db2.gz LLNYVWILHSVBMN-NVXWUHKLSA-N 1 3 344.459 1.287 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000414964031 447376632 /nfs/dbraw/zinc/37/66/32/447376632.db2.gz LLNYVWILHSVBMN-NVXWUHKLSA-N 1 3 344.459 1.287 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458520116 447398118 /nfs/dbraw/zinc/39/81/18/447398118.db2.gz WPOXBKMPIRSJGX-BZUAXINKSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415421002 447419129 /nfs/dbraw/zinc/41/91/29/447419129.db2.gz UMBQYASDUTYHTJ-GJZGRUSLSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415421002 447419135 /nfs/dbraw/zinc/41/91/35/447419135.db2.gz UMBQYASDUTYHTJ-GJZGRUSLSA-N 1 3 346.475 1.663 20 0 EDADHO Cc1cc(CN(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)no1 ZINC000051760339 441422225 /nfs/dbraw/zinc/42/22/25/441422225.db2.gz GQYAAWORZSGUJU-UHFFFAOYSA-N 1 3 349.479 1.683 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000074616576 441450601 /nfs/dbraw/zinc/45/06/01/441450601.db2.gz WPVNSUFDONMQEW-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO CN(CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464137 /nfs/dbraw/zinc/46/41/37/441464137.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO CN(CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464142 /nfs/dbraw/zinc/46/41/42/441464142.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1CN(CCC2CC[NH+](CC3(CO)COC3)CC2)C[C@H](C)O1 ZINC000089140388 441526857 /nfs/dbraw/zinc/52/68/57/441526857.db2.gz AOQXJNOBHNAEOL-HOTGVXAUSA-N 1 3 326.481 1.207 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137223460 441757389 /nfs/dbraw/zinc/75/73/89/441757389.db2.gz HZDRUSHFRAJKFR-ZBFHGGJFSA-N 1 3 334.464 1.434 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137223460 441757394 /nfs/dbraw/zinc/75/73/94/441757394.db2.gz HZDRUSHFRAJKFR-ZBFHGGJFSA-N 1 3 334.464 1.434 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000126030308 442070860 /nfs/dbraw/zinc/07/08/60/442070860.db2.gz DRQHXBLRQKYNOL-GOEBONIOSA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000080061220 442111109 /nfs/dbraw/zinc/11/11/09/442111109.db2.gz PTGDGWVQDRAWSJ-QGZVFWFLSA-N 1 3 335.517 1.969 20 0 EDADHO CN1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968373 442159291 /nfs/dbraw/zinc/15/92/91/442159291.db2.gz FEELTYLXFXPDFQ-LJQANCHMSA-N 1 3 345.487 1.914 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000128201449 442251582 /nfs/dbraw/zinc/25/15/82/442251582.db2.gz CTGWWBVJDUXMQL-ZFWWWQNUSA-N 1 3 333.432 1.653 20 0 EDADHO Cc1c(C(=O)N[C@H](C)CN2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000165032940 442206017 /nfs/dbraw/zinc/20/60/17/442206017.db2.gz HTBRWHAIBDZAOH-CYBMUJFWSA-N 1 3 334.468 1.115 20 0 EDADHO CN(CC[NH+](C)C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000176390040 442217061 /nfs/dbraw/zinc/21/70/61/442217061.db2.gz YGQRAEJXQLISRI-UHFFFAOYSA-N 1 3 332.492 1.609 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153700486 442297671 /nfs/dbraw/zinc/29/76/71/442297671.db2.gz SRAOOEWMWDNZKM-INIZCTEOSA-N 1 3 342.528 1.451 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153700486 442297674 /nfs/dbraw/zinc/29/76/74/442297674.db2.gz SRAOOEWMWDNZKM-INIZCTEOSA-N 1 3 342.528 1.451 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379693 442334021 /nfs/dbraw/zinc/33/40/21/442334021.db2.gz ZTNVQXZUGUBZMM-OAHLLOKOSA-N 1 3 326.529 1.638 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000177870229 442392487 /nfs/dbraw/zinc/39/24/87/442392487.db2.gz QZGMHSYULGZYRS-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000177870229 442392488 /nfs/dbraw/zinc/39/24/88/442392488.db2.gz QZGMHSYULGZYRS-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156287111 442463794 /nfs/dbraw/zinc/46/37/94/442463794.db2.gz HGJMCJGBJRWEQR-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO CC[C@H](COC)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960586 442538338 /nfs/dbraw/zinc/53/83/38/442538338.db2.gz RKHVRLSECXAKPF-ZWKOTPCHSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@H](COC)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960586 442538341 /nfs/dbraw/zinc/53/83/41/442538341.db2.gz RKHVRLSECXAKPF-ZWKOTPCHSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@H](COC)[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000156960586 442538344 /nfs/dbraw/zinc/53/83/44/442538344.db2.gz RKHVRLSECXAKPF-ZWKOTPCHSA-N 1 3 333.476 1.899 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000180363595 442587250 /nfs/dbraw/zinc/58/72/50/442587250.db2.gz IXFRRFQBZYWKCZ-UHFFFAOYSA-N 1 3 346.475 1.676 20 0 EDADHO CC1CCN(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000135454951 442597688 /nfs/dbraw/zinc/59/76/88/442597688.db2.gz ULPPMGCBTFTTAW-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000181739444 442713837 /nfs/dbraw/zinc/71/38/37/442713837.db2.gz RELYVLQXPXCVKS-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000182625028 442797685 /nfs/dbraw/zinc/79/76/85/442797685.db2.gz FKPBPUWVFJBPDJ-UHFFFAOYSA-N 1 3 349.450 1.788 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccn1 ZINC000183144906 442888513 /nfs/dbraw/zinc/88/85/13/442888513.db2.gz SUOGHVFXHYVQQZ-UHFFFAOYSA-N 1 3 334.464 1.484 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173564 442891396 /nfs/dbraw/zinc/89/13/96/442891396.db2.gz HTHPWXAWDIWLDG-CKEIUWERSA-N 1 3 340.489 1.271 20 0 EDADHO CCN(CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248906370 442937668 /nfs/dbraw/zinc/93/76/68/442937668.db2.gz BHBAYKPSNCYTQY-HZPDHXFCSA-N 1 3 342.528 1.356 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249030726 442945301 /nfs/dbraw/zinc/94/53/01/442945301.db2.gz LYYKEVHNEYAGSZ-QKPAOTATSA-N 1 3 325.497 1.708 20 0 EDADHO CCOCCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189957743 443037370 /nfs/dbraw/zinc/03/73/70/443037370.db2.gz CZYSNPHUOOTCLE-XEWABKELSA-N 1 3 347.503 1.885 20 0 EDADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605576 443047846 /nfs/dbraw/zinc/04/78/46/443047846.db2.gz BPISKADGBNVFES-NKELODKYSA-N 1 3 347.503 1.888 20 0 EDADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605576 443047850 /nfs/dbraw/zinc/04/78/50/443047850.db2.gz BPISKADGBNVFES-NKELODKYSA-N 1 3 347.503 1.888 20 0 EDADHO CNC(=O)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184744880 443071015 /nfs/dbraw/zinc/07/10/15/443071015.db2.gz WNBQLTZJEJYQPS-VMZNBEPHSA-N 1 3 332.448 1.188 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268874480 443133541 /nfs/dbraw/zinc/13/35/41/443133541.db2.gz WCZDEJZXNOVARR-CZUORRHYSA-N 1 3 341.477 1.165 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261767104 443169060 /nfs/dbraw/zinc/16/90/60/443169060.db2.gz FNOHOKVWEDUGPA-HLLBOEOZSA-N 1 3 325.497 1.615 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261767104 443169062 /nfs/dbraw/zinc/16/90/62/443169062.db2.gz FNOHOKVWEDUGPA-HLLBOEOZSA-N 1 3 325.497 1.615 20 0 EDADHO COCCN(C)c1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cn1 ZINC000190747432 443175280 /nfs/dbraw/zinc/17/52/80/443175280.db2.gz GLOLFVKESWKCDT-UHFFFAOYSA-N 1 3 349.523 1.280 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc2ccccc2[nH]c1=O ZINC000262016577 443180045 /nfs/dbraw/zinc/18/00/45/443180045.db2.gz MUUKYWWCHRVCEB-INIZCTEOSA-N 1 3 342.443 1.760 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000237720627 443180510 /nfs/dbraw/zinc/18/05/10/443180510.db2.gz XZVNFSUKVCSYFS-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CCOCC(F)F)CC2)CC1 ZINC000190784521 443183625 /nfs/dbraw/zinc/18/36/25/443183625.db2.gz SITRUNGVQLAFRK-UHFFFAOYSA-N 1 3 333.423 1.333 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000269223718 443238626 /nfs/dbraw/zinc/23/86/26/443238626.db2.gz BQFAMXIQAVWPKW-GOSISDBHSA-N 1 3 331.460 1.667 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000266705008 443214240 /nfs/dbraw/zinc/21/42/40/443214240.db2.gz PCTDQLYQPFHPJG-QGZVFWFLSA-N 1 3 336.480 1.557 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000266705008 443214246 /nfs/dbraw/zinc/21/42/46/443214246.db2.gz PCTDQLYQPFHPJG-QGZVFWFLSA-N 1 3 336.480 1.557 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CCN2CCCC2)ccc1C[NH+](C)C ZINC000411399164 319182369 /nfs/dbraw/zinc/18/23/69/319182369.db2.gz LCMIOSQFUARFEN-UHFFFAOYSA-N 1 3 346.475 1.549 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000413859748 319294489 /nfs/dbraw/zinc/29/44/89/319294489.db2.gz NKVQVGOTPYDJJZ-RDJZCZTQSA-N 1 3 334.464 1.691 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000414993893 319344543 /nfs/dbraw/zinc/34/45/43/319344543.db2.gz UUMMBYHBUDVBMK-INIZCTEOSA-N 1 3 346.475 1.439 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000414993893 319344546 /nfs/dbraw/zinc/34/45/46/319344546.db2.gz UUMMBYHBUDVBMK-INIZCTEOSA-N 1 3 346.475 1.439 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415194455 319348870 /nfs/dbraw/zinc/34/88/70/319348870.db2.gz ZWHNYEFHCLKYNS-UHFFFAOYSA-N 1 3 344.459 1.563 20 0 EDADHO COCCN1CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415940109 319383548 /nfs/dbraw/zinc/38/35/48/319383548.db2.gz RXNUWAMLRSIVHK-UHFFFAOYSA-N 1 3 336.436 1.256 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000415937648 319383872 /nfs/dbraw/zinc/38/38/72/319383872.db2.gz YRUGXCMSVATPQJ-HOTGVXAUSA-N 1 3 334.464 1.979 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ncccc2C[NH3+])cc1 ZINC000415991188 319387914 /nfs/dbraw/zinc/38/79/14/319387914.db2.gz VHKQRLIXCZBLFR-MRXNPFEDSA-N 1 3 343.431 1.973 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ncccc2CN)c1 ZINC000416000322 319388643 /nfs/dbraw/zinc/38/86/43/319388643.db2.gz XBTMTZMKBKPOGJ-UHFFFAOYSA-N 1 3 343.431 1.802 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000416166710 319396339 /nfs/dbraw/zinc/39/63/39/319396339.db2.gz NQGNEEMJOJCJCZ-SFHVURJKSA-N 1 3 331.460 1.224 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000416166710 319396341 /nfs/dbraw/zinc/39/63/41/319396341.db2.gz NQGNEEMJOJCJCZ-SFHVURJKSA-N 1 3 331.460 1.224 20 0 EDADHO C[NH2+]CCCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269298722 443271859 /nfs/dbraw/zinc/27/18/59/443271859.db2.gz PDYNAGBLHBIYSI-UHFFFAOYSA-N 1 3 346.519 1.700 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416810361 319462351 /nfs/dbraw/zinc/46/23/51/319462351.db2.gz BQGMIKULKQZSSC-DOTOQJQBSA-N 1 3 334.464 1.869 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)c1 ZINC000416852734 319466957 /nfs/dbraw/zinc/46/69/57/319466957.db2.gz MWSWSQLGSFVYIV-PBHICJAKSA-N 1 3 334.464 1.869 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417368071 319494720 /nfs/dbraw/zinc/49/47/20/319494720.db2.gz QMMPOOLOBWAOGC-SJORKVTESA-N 1 3 346.475 1.663 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1OCCN(C)C ZINC000417370168 319495194 /nfs/dbraw/zinc/49/51/94/319495194.db2.gz TVXJEXDHLDFXLJ-ZBFHGGJFSA-N 1 3 334.464 1.567 20 0 EDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000282819472 443441616 /nfs/dbraw/zinc/44/16/16/443441616.db2.gz UBVDPWBJOUJBRH-GOSISDBHSA-N 1 3 346.475 1.521 20 0 EDADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000282819472 443441621 /nfs/dbraw/zinc/44/16/21/443441621.db2.gz UBVDPWBJOUJBRH-GOSISDBHSA-N 1 3 346.475 1.521 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423307616 319762905 /nfs/dbraw/zinc/76/29/05/319762905.db2.gz HMBHCNBTLHQTQG-HNNXBMFYSA-N 1 3 341.459 1.868 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000423403905 319771767 /nfs/dbraw/zinc/77/17/67/319771767.db2.gz XKKPRCOKIWXILU-APWZRJJASA-N 1 3 344.503 1.935 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273161666 443554330 /nfs/dbraw/zinc/55/43/30/443554330.db2.gz BRZFGSBGSOKHEC-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO CN1CCC(CC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000273161666 443554334 /nfs/dbraw/zinc/55/43/34/443554334.db2.gz BRZFGSBGSOKHEC-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449366455 320185158 /nfs/dbraw/zinc/18/51/58/320185158.db2.gz WJDIGVNZEUTSKI-MUQADHOPSA-N 1 3 337.508 1.580 20 0 EDADHO CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453641404 320266036 /nfs/dbraw/zinc/26/60/36/320266036.db2.gz VDOXDUNBGBNWKX-NVXWUHKLSA-N 1 3 344.459 1.337 20 0 EDADHO C[C@H]1CN(CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747167 320334721 /nfs/dbraw/zinc/33/47/21/320334721.db2.gz DOCKPEDLRGPEBT-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631986 320352857 /nfs/dbraw/zinc/35/28/57/320352857.db2.gz ADABMHCYZCTEOV-AEFFLSMTSA-N 1 3 348.491 1.384 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccncc2)s1 ZINC000530880688 320641848 /nfs/dbraw/zinc/64/18/48/320641848.db2.gz NVYAHSNSUSAAAP-UHFFFAOYSA-N 1 3 347.488 1.771 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccn1 ZINC000277379718 443970998 /nfs/dbraw/zinc/97/09/98/443970998.db2.gz WELSOADYCLHDHW-INIZCTEOSA-N 1 3 334.464 1.578 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000555551758 320970199 /nfs/dbraw/zinc/97/01/99/320970199.db2.gz ORNZIIKQLASPDW-UHFFFAOYSA-N 1 3 327.513 1.922 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000562810246 321077504 /nfs/dbraw/zinc/07/75/04/321077504.db2.gz BWORGNZBCRLRLM-RYRKJORJSA-N 1 3 347.507 1.271 20 0 EDADHO COC[C@@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]1 ZINC000562816224 321078319 /nfs/dbraw/zinc/07/83/19/321078319.db2.gz PKVHRURSULXKGY-SFHVURJKSA-N 1 3 338.496 1.415 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCCC[NH2+]Cc2cccnc2)C1(C)C ZINC000563106139 321096363 /nfs/dbraw/zinc/09/63/63/321096363.db2.gz XPMJXBSTGATKKA-MAUKXSAKSA-N 1 3 334.464 1.210 20 0 EDADHO CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000564669286 321141129 /nfs/dbraw/zinc/14/11/29/321141129.db2.gz CORXTYZGNFNNOM-UHFFFAOYSA-N 1 3 346.475 1.096 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCC2)CC1 ZINC000564910695 321155754 /nfs/dbraw/zinc/15/57/54/321155754.db2.gz LDMUYWMPUWDDRU-UHFFFAOYSA-N 1 3 330.476 1.322 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000565041621 321165913 /nfs/dbraw/zinc/16/59/13/321165913.db2.gz WLSHIUZXCYNXFG-SFHVURJKSA-N 1 3 330.476 1.016 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000567648351 321250386 /nfs/dbraw/zinc/25/03/86/321250386.db2.gz ACXAULAJYXAUKA-JKSUJKDBSA-N 1 3 347.507 1.791 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(O)C3CC3)CC2)CC1 ZINC000568200891 321279961 /nfs/dbraw/zinc/27/99/61/321279961.db2.gz CFLQUJTVHCSBKG-IBGZPJMESA-N 1 3 337.508 1.460 20 0 EDADHO COCc1ccccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000570209524 321340773 /nfs/dbraw/zinc/34/07/73/321340773.db2.gz OCELVWUALPSIIB-UHFFFAOYSA-N 1 3 336.480 1.468 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327678 444148867 /nfs/dbraw/zinc/14/88/67/444148867.db2.gz FNARJBIWZDSXBV-VXNCWWDNSA-N 1 3 345.487 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327678 444148872 /nfs/dbraw/zinc/14/88/72/444148872.db2.gz FNARJBIWZDSXBV-VXNCWWDNSA-N 1 3 345.487 1.985 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2cnccn12 ZINC000289485683 444156383 /nfs/dbraw/zinc/15/63/83/444156383.db2.gz RAOYXMRQWILCOW-MRXNPFEDSA-N 1 3 330.480 1.577 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2cnccn12 ZINC000289485683 444156388 /nfs/dbraw/zinc/15/63/88/444156388.db2.gz RAOYXMRQWILCOW-MRXNPFEDSA-N 1 3 330.480 1.577 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000574622574 321492284 /nfs/dbraw/zinc/49/22/84/321492284.db2.gz KDTYYFRDHKZQSO-UYAOXDASSA-N 1 3 344.503 1.944 20 0 EDADHO CCCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000289903861 444217711 /nfs/dbraw/zinc/21/77/11/444217711.db2.gz JFTRSFOGIBEKFW-ZWKOTPCHSA-N 1 3 333.476 1.863 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000303984229 444238714 /nfs/dbraw/zinc/23/87/14/444238714.db2.gz HPGGTJUKOBKUDA-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)[C@@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304041611 444240816 /nfs/dbraw/zinc/24/08/16/444240816.db2.gz IROQGVABIIZXMB-SFHVURJKSA-N 1 3 340.512 1.251 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000577748786 321679931 /nfs/dbraw/zinc/67/99/31/321679931.db2.gz QTHIYCFYYSSLTP-PKOBYXMFSA-N 1 3 345.487 1.833 20 0 EDADHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000332035411 444497221 /nfs/dbraw/zinc/49/72/21/444497221.db2.gz ZWBKFGBBEQXIGD-ICUGJSFKSA-N 1 3 337.508 1.445 20 0 EDADHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000332035411 444497224 /nfs/dbraw/zinc/49/72/24/444497224.db2.gz ZWBKFGBBEQXIGD-ICUGJSFKSA-N 1 3 337.508 1.445 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H]3CCOC3)CC2)CC1 ZINC000580344701 322040415 /nfs/dbraw/zinc/04/04/15/322040415.db2.gz QBJQDGIYCFFBND-MRXNPFEDSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000580711579 322085937 /nfs/dbraw/zinc/08/59/37/322085937.db2.gz IHJRLZBEKZSPRL-QXAKKESOSA-N 1 3 344.503 1.479 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580832248 322101355 /nfs/dbraw/zinc/10/13/55/322101355.db2.gz USNFMBPOHSMZHV-BVIKNXMNSA-N 1 3 328.460 1.642 20 0 EDADHO OCCN1CCN(CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000581225662 322150656 /nfs/dbraw/zinc/15/06/56/322150656.db2.gz CRLBPSXFPOLSAS-UHFFFAOYSA-N 1 3 339.524 1.458 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343718252 444542909 /nfs/dbraw/zinc/54/29/09/444542909.db2.gz UAHQINKOXJCPLO-IAGOWNOFSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343718252 444542913 /nfs/dbraw/zinc/54/29/13/444542913.db2.gz UAHQINKOXJCPLO-IAGOWNOFSA-N 1 3 336.524 1.488 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000338300622 444618626 /nfs/dbraw/zinc/61/86/26/444618626.db2.gz CPFWUCMFLMISDY-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000338300622 444618629 /nfs/dbraw/zinc/61/86/29/444618629.db2.gz CPFWUCMFLMISDY-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938358 444680998 /nfs/dbraw/zinc/68/09/98/444680998.db2.gz QFLAQANUAPEGDF-KZNAEPCWSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938358 444680999 /nfs/dbraw/zinc/68/09/99/444680999.db2.gz QFLAQANUAPEGDF-KZNAEPCWSA-N 1 3 336.524 1.344 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC1CCN(CC(F)F)CC1 ZINC000343981258 444707768 /nfs/dbraw/zinc/70/77/68/444707768.db2.gz KCIGQSUVJMYBJI-UHFFFAOYSA-N 1 3 342.434 1.841 20 0 EDADHO CN1CCC(Oc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000341263536 444753241 /nfs/dbraw/zinc/75/32/41/444753241.db2.gz XNXVCLSGCWBWIZ-UHFFFAOYSA-N 1 3 346.475 1.792 20 0 EDADHO C[C@@H]1CCC[C@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054541 444753581 /nfs/dbraw/zinc/75/35/81/444753581.db2.gz JCUREKSRPYDARF-KURKYZTESA-N 1 3 340.556 1.743 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342766560 444855825 /nfs/dbraw/zinc/85/58/25/444855825.db2.gz VYSJULDYSBWYQO-GOEBONIOSA-N 1 3 344.459 1.322 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000344293751 444884200 /nfs/dbraw/zinc/88/42/00/444884200.db2.gz PECNRWXFFOXDMZ-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000343020658 445009557 /nfs/dbraw/zinc/00/95/57/445009557.db2.gz UUXPYSRCDGUEHV-MRXNPFEDSA-N 1 3 340.512 1.167 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000344548958 445052083 /nfs/dbraw/zinc/05/20/83/445052083.db2.gz OHSJPXMCIFDTNK-GVDBMIGSSA-N 1 3 338.496 1.005 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000344548958 445052088 /nfs/dbraw/zinc/05/20/88/445052088.db2.gz OHSJPXMCIFDTNK-GVDBMIGSSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105671 445070286 /nfs/dbraw/zinc/07/02/86/445070286.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105671 445070288 /nfs/dbraw/zinc/07/02/88/445070288.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207242 /nfs/dbraw/zinc/20/72/42/445207242.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 1 3 349.519 1.819 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207244 /nfs/dbraw/zinc/20/72/44/445207244.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 1 3 349.519 1.819 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230379 /nfs/dbraw/zinc/23/03/79/445230379.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230380 /nfs/dbraw/zinc/23/03/80/445230380.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 1 3 326.485 1.269 20 0 EDADHO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000348534263 445317727 /nfs/dbraw/zinc/31/77/27/445317727.db2.gz PIMWFFAFZPLXOL-HOTGVXAUSA-N 1 3 325.522 1.993 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C1 ZINC000348434594 445289771 /nfs/dbraw/zinc/28/97/71/445289771.db2.gz JZQGWDAFKYYQGL-BHUNQDJPSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(Cl)cn1 ZINC000359673233 445367890 /nfs/dbraw/zinc/36/78/90/445367890.db2.gz LAPIHMMITMTGDW-OAHLLOKOSA-N 1 3 340.899 1.776 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000359779075 445424808 /nfs/dbraw/zinc/42/48/08/445424808.db2.gz UBSUCVXZZDULGW-APWZRJJASA-N 1 3 344.503 1.851 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362562415 445440491 /nfs/dbraw/zinc/44/04/91/445440491.db2.gz SPWXPRSHTVPSAC-HUUCEWRRSA-N 1 3 333.480 1.871 20 0 EDADHO COC[C@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC[NH2+]1 ZINC000357257049 445510926 /nfs/dbraw/zinc/51/09/26/445510926.db2.gz LADIBJIBHKDSRU-LJQANCHMSA-N 1 3 331.460 1.781 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000360121665 445578718 /nfs/dbraw/zinc/57/87/18/445578718.db2.gz AHMYEJYWILRJSK-CVEARBPZSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000360121665 445578720 /nfs/dbraw/zinc/57/87/20/445578720.db2.gz AHMYEJYWILRJSK-CVEARBPZSA-N 1 3 328.501 1.467 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000360165067 445605766 /nfs/dbraw/zinc/60/57/66/445605766.db2.gz UNBRFQCWMIWAHD-CVEARBPZSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000360165067 445605771 /nfs/dbraw/zinc/60/57/71/445605771.db2.gz UNBRFQCWMIWAHD-CVEARBPZSA-N 1 3 340.512 1.071 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481906 445622534 /nfs/dbraw/zinc/62/25/34/445622534.db2.gz LAWZAVPYVFATON-KGLIPLIRSA-N 1 3 329.366 1.857 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481906 445622539 /nfs/dbraw/zinc/62/25/39/445622539.db2.gz LAWZAVPYVFATON-KGLIPLIRSA-N 1 3 329.366 1.857 20 0 EDADHO C[C@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050886 445591169 /nfs/dbraw/zinc/59/11/69/445591169.db2.gz SUGHBCALOFIHNI-QFBILLFUSA-N 1 3 345.487 1.810 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2CCN(C)CC2)CC1 ZINC000362878275 445593065 /nfs/dbraw/zinc/59/30/65/445593065.db2.gz RXRBFLUBSPGXQL-OAHLLOKOSA-N 1 3 325.497 1.270 20 0 EDADHO COC(=O)C1CCC([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000353673148 445701211 /nfs/dbraw/zinc/70/12/11/445701211.db2.gz RJXLGVLMISXEDI-UHFFFAOYSA-N 1 3 339.480 1.300 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000349934716 445726362 /nfs/dbraw/zinc/72/63/62/445726362.db2.gz OPILCRKHUJMIIG-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000358722425 445741920 /nfs/dbraw/zinc/74/19/20/445741920.db2.gz ODLUVBQVMGVOJD-APWZRJJASA-N 1 3 348.491 1.263 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000358722425 445741922 /nfs/dbraw/zinc/74/19/22/445741922.db2.gz ODLUVBQVMGVOJD-APWZRJJASA-N 1 3 348.491 1.263 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000350052626 445758290 /nfs/dbraw/zinc/75/82/90/445758290.db2.gz TWCBLUPDQQGLGW-GJZGRUSLSA-N 1 3 339.480 1.251 20 0 EDADHO CN(CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)Cc1ccccc1 ZINC000353839705 445778172 /nfs/dbraw/zinc/77/81/72/445778172.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 1 3 346.519 1.603 20 0 EDADHO CN(CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)Cc1ccccc1 ZINC000353839705 445778177 /nfs/dbraw/zinc/77/81/77/445778177.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 1 3 346.519 1.603 20 0 EDADHO CN(CC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000353839705 445778183 /nfs/dbraw/zinc/77/81/83/445778183.db2.gz FVVWWZBMZOWORZ-UHFFFAOYSA-N 1 3 346.519 1.603 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000363389261 445783560 /nfs/dbraw/zinc/78/35/60/445783560.db2.gz IMSARHJWNQPUNY-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000361685498 445876556 /nfs/dbraw/zinc/87/65/56/445876556.db2.gz FIFTZQOAIZHIDN-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000358984349 445874973 /nfs/dbraw/zinc/87/49/73/445874973.db2.gz JGKBWAHSTHIYFU-IBGZPJMESA-N 1 3 335.467 1.793 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)N(C)C ZINC000364548002 445931876 /nfs/dbraw/zinc/93/18/76/445931876.db2.gz SRBLGAGGULNKLN-QBPKDAKJSA-N 1 3 325.497 1.578 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)N(C)C ZINC000364548002 445931880 /nfs/dbraw/zinc/93/18/80/445931880.db2.gz SRBLGAGGULNKLN-QBPKDAKJSA-N 1 3 325.497 1.578 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000361774407 445933633 /nfs/dbraw/zinc/93/36/33/445933633.db2.gz SGOCQYMDGHMYKE-NVXWUHKLSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CCOC)CC2)C[C@H]1C ZINC000361774407 445933638 /nfs/dbraw/zinc/93/36/38/445933638.db2.gz SGOCQYMDGHMYKE-NVXWUHKLSA-N 1 3 340.512 1.611 20 0 EDADHO COC1(C(=O)N2CCc3c2cccc3CN2CCCC2)CC[NH2+]CC1 ZINC000361710112 445891333 /nfs/dbraw/zinc/89/13/33/445891333.db2.gz DFLINOTYCPVEEC-UHFFFAOYSA-N 1 3 343.471 1.940 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000354163260 445960170 /nfs/dbraw/zinc/96/01/70/445960170.db2.gz LRFHSZWNXSTNPG-VMBOVVBDSA-N 1 3 340.537 1.740 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057241 445998748 /nfs/dbraw/zinc/99/87/48/445998748.db2.gz JXWAMCVYNHQQRO-OIISXLGYSA-N 1 3 346.475 1.091 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057241 445998753 /nfs/dbraw/zinc/99/87/53/445998753.db2.gz JXWAMCVYNHQQRO-OIISXLGYSA-N 1 3 346.475 1.091 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000583132974 326008003 /nfs/dbraw/zinc/00/80/03/326008003.db2.gz OZQWWYIKRRMYGH-VQIMIIECSA-N 1 3 344.503 1.991 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583360010 326056057 /nfs/dbraw/zinc/05/60/57/326056057.db2.gz BAINHYJBWONVOS-OAHLLOKOSA-N 1 3 334.468 1.394 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000583930326 326167681 /nfs/dbraw/zinc/16/76/81/326167681.db2.gz ZHYVCYUBFMZAIC-SFHVURJKSA-N 1 3 349.519 1.659 20 0 EDADHO COC(=O)c1coc([C@@H](C)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174180 446074415 /nfs/dbraw/zinc/07/44/15/446074415.db2.gz SRBMJQCFCGZJCL-UKRRQHHQSA-N 1 3 335.448 1.885 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2=CC[N@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446105010 /nfs/dbraw/zinc/10/50/10/446105010.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 1 3 328.460 1.993 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2=CC[N@@H+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446105015 /nfs/dbraw/zinc/10/50/15/446105015.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 1 3 328.460 1.993 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CC4(CCC4)C(=O)O3)C2)CC1 ZINC000365279444 446123566 /nfs/dbraw/zinc/12/35/66/446123566.db2.gz YJULFNAFXNVFPJ-IRXDYDNUSA-N 1 3 335.492 1.432 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)C1 ZINC000365348813 446161609 /nfs/dbraw/zinc/16/16/09/446161609.db2.gz LNGBBZCTAQKMQL-SFHVURJKSA-N 1 3 349.523 1.035 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CCN(C4CC4)CC3)CC2)C1 ZINC000365348813 446161613 /nfs/dbraw/zinc/16/16/13/446161613.db2.gz LNGBBZCTAQKMQL-SFHVURJKSA-N 1 3 349.523 1.035 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000370300124 446220719 /nfs/dbraw/zinc/22/07/19/446220719.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H]1CN1CCC[C@H]1CO ZINC000370300124 446220724 /nfs/dbraw/zinc/22/07/24/446220724.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO CCCN1CCN(c2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457252 446233569 /nfs/dbraw/zinc/23/35/69/446233569.db2.gz IURMRKRUOGAQDR-KDURUIRLSA-N 1 3 328.504 1.870 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000366563717 446263536 /nfs/dbraw/zinc/26/35/36/446263536.db2.gz FCVPMGXSBBWIKC-MJGOQNOKSA-N 1 3 342.487 1.653 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365626578 446279022 /nfs/dbraw/zinc/27/90/22/446279022.db2.gz XSJNRJLKDJXJHV-DLBZAZTESA-N 1 3 346.475 1.513 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000365626578 446279028 /nfs/dbraw/zinc/27/90/28/446279028.db2.gz XSJNRJLKDJXJHV-DLBZAZTESA-N 1 3 346.475 1.513 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660161 446292041 /nfs/dbraw/zinc/29/20/41/446292041.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 1 3 343.487 1.816 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660161 446292044 /nfs/dbraw/zinc/29/20/44/446292044.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 1 3 343.487 1.816 20 0 EDADHO C[NH2+]CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417331615 446344958 /nfs/dbraw/zinc/34/49/58/446344958.db2.gz MPKYGOWYCRQMMP-UHFFFAOYSA-N 1 3 334.464 1.426 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417371333 446351211 /nfs/dbraw/zinc/35/12/11/446351211.db2.gz VJDAFYSTPKKQLX-INIZCTEOSA-N 1 3 348.491 1.897 20 0 EDADHO COCCN(C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417436402 446351714 /nfs/dbraw/zinc/35/17/14/446351714.db2.gz DRUKFNKZQNZSDC-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515927 446359532 /nfs/dbraw/zinc/35/95/32/446359532.db2.gz MGOIDYVLVIIWRP-DOTOQJQBSA-N 1 3 336.480 1.685 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000417529244 446362707 /nfs/dbraw/zinc/36/27/07/446362707.db2.gz QMPZNNUAJFKOBM-LJQANCHMSA-N 1 3 348.491 1.550 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000417534041 446363033 /nfs/dbraw/zinc/36/30/33/446363033.db2.gz YGSHVWPHWKVNPG-WBVHZDCISA-N 1 3 348.491 1.548 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731069 446371706 /nfs/dbraw/zinc/37/17/06/446371706.db2.gz FGTZJXVKQSBVSP-MPTYRVRUSA-N 1 3 348.516 1.992 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@@H]1C[NH3+] ZINC000417946164 446394950 /nfs/dbraw/zinc/39/49/50/446394950.db2.gz GHSCCFAWNYNFSN-ZBFHGGJFSA-N 1 3 349.479 1.148 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418074672 446432578 /nfs/dbraw/zinc/43/25/78/446432578.db2.gz OBBRLYHZJHRBBH-AEFFLSMTSA-N 1 3 348.491 1.704 20 0 EDADHO C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCOCC1 ZINC000423170147 446446744 /nfs/dbraw/zinc/44/67/44/446446744.db2.gz LCLWNQOWBZKJJU-SQNIBIBYSA-N 1 3 337.508 1.378 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417972865 446404032 /nfs/dbraw/zinc/40/40/32/446404032.db2.gz BUPLKIZNGNUGQJ-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000418012438 446415190 /nfs/dbraw/zinc/41/51/90/446415190.db2.gz LXTLCYQYBDOOGD-CYGHRXIMSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019766 446417901 /nfs/dbraw/zinc/41/79/01/446417901.db2.gz YHELSMFCLIQYHS-DZJNRPSUSA-N 1 3 328.460 1.368 20 0 EDADHO COC1(C(=O)NC2CCN(Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000370763195 446422032 /nfs/dbraw/zinc/42/20/32/446422032.db2.gz GQUJAQCCYLXDQA-UHFFFAOYSA-N 1 3 337.489 1.597 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411270433 446457108 /nfs/dbraw/zinc/45/71/08/446457108.db2.gz JHPYEYQNDQSLNP-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411270433 446457113 /nfs/dbraw/zinc/45/71/13/446457113.db2.gz JHPYEYQNDQSLNP-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418212819 446459718 /nfs/dbraw/zinc/45/97/18/446459718.db2.gz VBBJQAYJEVRLED-RDJZCZTQSA-N 1 3 334.464 1.738 20 0 EDADHO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423262392 446469266 /nfs/dbraw/zinc/46/92/66/446469266.db2.gz MIGLRJPEZTWGAR-LRDDRELGSA-N 1 3 325.478 1.892 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296721 446475788 /nfs/dbraw/zinc/47/57/88/446475788.db2.gz HNIFIHYEIMZXJP-ROUUACIJSA-N 1 3 341.459 1.840 20 0 EDADHO C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](C)C1 ZINC000423317027 446486179 /nfs/dbraw/zinc/48/61/79/446486179.db2.gz BDNNAUBBZLMRDI-HLLBOEOZSA-N 1 3 333.480 1.658 20 0 EDADHO N[C@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862165 446486440 /nfs/dbraw/zinc/48/64/40/446486440.db2.gz PQGUNGXUVNUBIF-GOSISDBHSA-N 1 3 331.460 1.790 20 0 EDADHO N[C@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862165 446486453 /nfs/dbraw/zinc/48/64/53/446486453.db2.gz PQGUNGXUVNUBIF-GOSISDBHSA-N 1 3 331.460 1.790 20 0 EDADHO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326637 446493702 /nfs/dbraw/zinc/49/37/02/446493702.db2.gz COCBIVNRDYEOMB-XHSDSOJGSA-N 1 3 334.464 2.412 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335366 446504547 /nfs/dbraw/zinc/50/45/47/446504547.db2.gz HFBVQLJOYAJMNV-MSOLQXFVSA-N 1 3 327.472 1.893 20 0 EDADHO COc1cccc(CN(C)C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337267 446508448 /nfs/dbraw/zinc/50/84/48/446508448.db2.gz MZMYUYVBWMHLEA-CALCHBBNSA-N 1 3 331.460 1.585 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371539 446565288 /nfs/dbraw/zinc/56/52/88/446565288.db2.gz BJADFXAJIPJGHV-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418394299 446525914 /nfs/dbraw/zinc/52/59/14/446525914.db2.gz ZEEOZIFSBSXFNC-HKUYNNGSSA-N 1 3 348.491 1.248 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)C[C@H](C)O1 ZINC000423424472 446529294 /nfs/dbraw/zinc/52/92/94/446529294.db2.gz FSBXASNAUNSJDE-BVYOLEPJSA-N 1 3 335.492 1.476 20 0 EDADHO CN(Cc1ncnn1C(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367288689 446531952 /nfs/dbraw/zinc/53/19/52/446531952.db2.gz IBVVJBOPIUVTPI-MRXNPFEDSA-N 1 3 334.512 1.633 20 0 EDADHO CN(C)C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106263 446546599 /nfs/dbraw/zinc/54/65/99/446546599.db2.gz YLVUWZAHIHJTJF-WTGUMLROSA-N 1 3 331.504 1.942 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1CN(C)C ZINC000411550305 446598559 /nfs/dbraw/zinc/59/85/59/446598559.db2.gz KDLMMKNOTGABTC-HNNXBMFYSA-N 1 3 348.491 1.840 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1CN(C)C ZINC000411550305 446598563 /nfs/dbraw/zinc/59/85/63/446598563.db2.gz KDLMMKNOTGABTC-HNNXBMFYSA-N 1 3 348.491 1.840 20 0 EDADHO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000434467609 446645908 /nfs/dbraw/zinc/64/59/08/446645908.db2.gz OUYPHVQWGPWHPW-LSDHHAIUSA-N 1 3 336.505 1.826 20 0 EDADHO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000434467609 446645912 /nfs/dbraw/zinc/64/59/12/446645912.db2.gz OUYPHVQWGPWHPW-LSDHHAIUSA-N 1 3 336.505 1.826 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000418741874 446663298 /nfs/dbraw/zinc/66/32/98/446663298.db2.gz BDUFSMQSVYAFET-AWEZNQCLSA-N 1 3 330.423 1.644 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000418741874 446663307 /nfs/dbraw/zinc/66/33/07/446663307.db2.gz BDUFSMQSVYAFET-AWEZNQCLSA-N 1 3 330.423 1.644 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CNCCC1(F)F ZINC000418750648 446669139 /nfs/dbraw/zinc/66/91/39/446669139.db2.gz OWJAUFUXAIMBQN-AWEZNQCLSA-N 1 3 326.391 1.197 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1NCCc2ccccc21 ZINC000418631109 446623787 /nfs/dbraw/zinc/62/37/87/446623787.db2.gz GCTVPPRGCUKVQP-WMZOPIPTSA-N 1 3 346.475 1.019 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1NCCc2ccccc21 ZINC000418631109 446623792 /nfs/dbraw/zinc/62/37/92/446623792.db2.gz GCTVPPRGCUKVQP-WMZOPIPTSA-N 1 3 346.475 1.019 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418632333 446623991 /nfs/dbraw/zinc/62/39/91/446623991.db2.gz VLSLCXASZGEKAH-QGZVFWFLSA-N 1 3 347.507 1.054 20 0 EDADHO C[C@@H](O)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000434106830 446624024 /nfs/dbraw/zinc/62/40/24/446624024.db2.gz PKSNYIKMYGGLSI-CQSZACIVSA-N 1 3 326.485 1.005 20 0 EDADHO CN(CCCCCO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000434107193 446624101 /nfs/dbraw/zinc/62/41/01/446624101.db2.gz TXSHNXBWSAJHII-UHFFFAOYSA-N 1 3 340.512 1.349 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418645855 446629612 /nfs/dbraw/zinc/62/96/12/446629612.db2.gz WQJIIQXLMZDGSJ-AEFFLSMTSA-N 1 3 330.476 1.998 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418645855 446629617 /nfs/dbraw/zinc/62/96/17/446629617.db2.gz WQJIIQXLMZDGSJ-AEFFLSMTSA-N 1 3 330.476 1.998 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418767506 446687324 /nfs/dbraw/zinc/68/73/24/446687324.db2.gz LOKJDTRACUAKQI-INIZCTEOSA-N 1 3 339.528 1.234 20 0 EDADHO COC1([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCC1 ZINC000412025090 446790925 /nfs/dbraw/zinc/79/09/25/446790925.db2.gz PABYULYNYPYQTI-NVXWUHKLSA-N 1 3 333.476 1.953 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000418959165 446828180 /nfs/dbraw/zinc/82/81/80/446828180.db2.gz HFHYNCKDCSEQSO-GDBMZVCRSA-N 1 3 338.496 1.014 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424039258 446828187 /nfs/dbraw/zinc/82/81/87/446828187.db2.gz YJULMCJMCQZPKR-KFWWJZLASA-N 1 3 325.453 1.549 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158534 446861653 /nfs/dbraw/zinc/86/16/53/446861653.db2.gz TUFDZAHUGWNMOE-XJKCOSOUSA-N 1 3 331.464 1.100 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)c1 ZINC000419015891 446867734 /nfs/dbraw/zinc/86/77/34/446867734.db2.gz FKJYHFINNBNUNG-QGZVFWFLSA-N 1 3 348.491 1.244 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](CN)CC(C)C)c1 ZINC000419015891 446867737 /nfs/dbraw/zinc/86/77/37/446867737.db2.gz FKJYHFINNBNUNG-QGZVFWFLSA-N 1 3 348.491 1.244 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H](N)c1ccccc1)C(C)(C)C ZINC000419128796 446939342 /nfs/dbraw/zinc/93/93/42/446939342.db2.gz BYDKHOHMJQGVGY-JKSUJKDBSA-N 1 3 348.491 1.285 20 0 EDADHO CCCNC(=O)CCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420972525 446942686 /nfs/dbraw/zinc/94/26/86/446942686.db2.gz BDCMDZSSQDOMCW-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCCNC(=O)CCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420972525 446942690 /nfs/dbraw/zinc/94/26/90/446942690.db2.gz BDCMDZSSQDOMCW-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCOC(=O)COCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420975891 446946730 /nfs/dbraw/zinc/94/67/30/446946730.db2.gz GFVZRBTYRXUHMX-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO CCOC(=O)COCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420975891 446946739 /nfs/dbraw/zinc/94/67/39/446946739.db2.gz GFVZRBTYRXUHMX-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO CCOC(=O)COCCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975891 446946747 /nfs/dbraw/zinc/94/67/47/446946747.db2.gz GFVZRBTYRXUHMX-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CC3(CC(=O)OC)CC3)CC2)CC1 ZINC000420984416 446960706 /nfs/dbraw/zinc/96/07/06/446960706.db2.gz TUQDLXPIOAOXRY-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CC3(CC(=O)OC)CC3)CC2)CC1 ZINC000420984416 446960709 /nfs/dbraw/zinc/96/07/09/446960709.db2.gz TUQDLXPIOAOXRY-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419149637 446964687 /nfs/dbraw/zinc/96/46/87/446964687.db2.gz FMPBOPVWGRFYMA-JKSUJKDBSA-N 1 3 340.512 1.247 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419148663 446964719 /nfs/dbraw/zinc/96/47/19/446964719.db2.gz DMNKDHNQHGFOBH-BZUAXINKSA-N 1 3 338.496 1.001 20 0 EDADHO N[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000372121629 447014927 /nfs/dbraw/zinc/01/49/27/447014927.db2.gz OFBVJHZLXMQPSV-GOSISDBHSA-N 1 3 341.459 1.799 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419163973 446981405 /nfs/dbraw/zinc/98/14/05/446981405.db2.gz MGFSPCKXQSAQLF-RDJZCZTQSA-N 1 3 348.491 1.065 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[NH+](C)C ZINC000454918110 447005028 /nfs/dbraw/zinc/00/50/28/447005028.db2.gz SJTXHAYRZTWUJP-HNNXBMFYSA-N 1 3 348.491 1.909 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CC)C2)[C@H](C)C1 ZINC000413300664 447125034 /nfs/dbraw/zinc/12/50/34/447125034.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CC)C2)[C@H](C)C1 ZINC000413300664 447125041 /nfs/dbraw/zinc/12/50/41/447125041.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444167813 447085386 /nfs/dbraw/zinc/08/53/86/447085386.db2.gz NUGCWUPVQNSKLL-HKUYNNGSSA-N 1 3 331.460 1.285 20 0 EDADHO CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCN(CCc2ccccn2)CC1 ZINC000444185460 447092335 /nfs/dbraw/zinc/09/23/35/447092335.db2.gz QINIMGJWAYSRHZ-UYAOXDASSA-N 1 3 342.487 1.547 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000377588471 447227483 /nfs/dbraw/zinc/22/74/83/447227483.db2.gz SLAWHTPBRFJXGX-OAHLLOKOSA-N 1 3 325.453 1.180 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@](C)(O)CCN(C)C)cc1 ZINC000420005930 447541335 /nfs/dbraw/zinc/54/13/35/447541335.db2.gz YDFUEIPBECEUTM-IBGZPJMESA-N 1 3 335.492 1.961 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420027750 447554258 /nfs/dbraw/zinc/55/42/58/447554258.db2.gz LEURMDZVIZAPNI-YQQAZPJKSA-N 1 3 346.475 1.134 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104272 447556657 /nfs/dbraw/zinc/55/66/57/447556657.db2.gz AZMFDAIWHKFNCB-QFBILLFUSA-N 1 3 345.487 1.782 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000457566361 447599201 /nfs/dbraw/zinc/59/92/01/447599201.db2.gz BZFVGZAPHYDLAA-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459262359 447625295 /nfs/dbraw/zinc/62/52/95/447625295.db2.gz LRFIFUMTPDPWBI-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459262359 447625303 /nfs/dbraw/zinc/62/53/03/447625303.db2.gz LRFIFUMTPDPWBI-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416837515 447694851 /nfs/dbraw/zinc/69/48/51/447694851.db2.gz HWXPBGCIQFJKAR-QLFBSQMISA-N 1 3 334.489 1.888 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000420206523 447670700 /nfs/dbraw/zinc/67/07/00/447670700.db2.gz VQMRUENXQPFUSN-UHFFFAOYSA-N 1 3 347.511 1.904 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C3CC3)C[C@H](C)C2)CC1 ZINC000451084867 447675220 /nfs/dbraw/zinc/67/52/20/447675220.db2.gz KYPGPECAEPSLCD-MRXNPFEDSA-N 1 3 336.524 1.392 20 0 EDADHO CC[C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)N1CCc2ccccc2C1 ZINC000417006869 447729443 /nfs/dbraw/zinc/72/94/43/447729443.db2.gz GGHVNXIMROINNV-MAUKXSAKSA-N 1 3 332.492 1.978 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)Cn1ccnn1 ZINC000459695447 447742068 /nfs/dbraw/zinc/74/20/68/447742068.db2.gz KRCCFYNUYTZDGF-ZSYWTGECSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cn1ccnn1 ZINC000459695447 447742071 /nfs/dbraw/zinc/74/20/71/447742071.db2.gz KRCCFYNUYTZDGF-ZSYWTGECSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cn1ccnn1 ZINC000459695447 447742074 /nfs/dbraw/zinc/74/20/74/447742074.db2.gz KRCCFYNUYTZDGF-ZSYWTGECSA-N 1 3 341.459 1.139 20 0 EDADHO CN(c1ccccc1CN1C[C@H](CO)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000459711186 447748894 /nfs/dbraw/zinc/74/88/94/447748894.db2.gz QSENWFVHOKWVTI-VQIMIIECSA-N 1 3 333.476 1.002 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422914896 447771817 /nfs/dbraw/zinc/77/18/17/447771817.db2.gz WKKWPFMIXMRMLT-QFBILLFUSA-N 1 3 344.503 1.600 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958843 447780819 /nfs/dbraw/zinc/78/08/19/447780819.db2.gz QEHUAZGCGWZPCA-JSGCOSHPSA-N 1 3 325.840 1.789 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800444 447786120 /nfs/dbraw/zinc/78/61/20/447786120.db2.gz QYLSGTJCHBSGNM-CJNGLKHVSA-N 1 3 348.495 1.456 20 0 EDADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000430929380 447787759 /nfs/dbraw/zinc/78/77/59/447787759.db2.gz WFQCOXGKXCHHBW-QGZVFWFLSA-N 1 3 344.503 1.390 20 0 EDADHO COc1cccc(COCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423000639 447790209 /nfs/dbraw/zinc/79/02/09/447790209.db2.gz GZYBZDLXNQDJRC-GUDVDZBRSA-N 1 3 334.460 1.959 20 0 EDADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000423111600 447807039 /nfs/dbraw/zinc/80/70/39/447807039.db2.gz QRAZYODNWYCJLZ-BHYGNILZSA-N 1 3 339.505 1.349 20 0 EDADHO CS[C@H]1CN(C(=O)CC2CCN(C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000487096013 447827425 /nfs/dbraw/zinc/82/74/25/447827425.db2.gz MRJWEYKDVFSUNR-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1N1CCCC1 ZINC000487096013 447827426 /nfs/dbraw/zinc/82/74/26/447827426.db2.gz MRJWEYKDVFSUNR-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531043759 448005518 /nfs/dbraw/zinc/00/55/18/448005518.db2.gz GEQYTRNDVXTNHX-HXUWFJFHSA-N 1 3 345.487 1.616 20 0 EDADHO CN(CCN1CCCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531291548 448054465 /nfs/dbraw/zinc/05/44/65/448054465.db2.gz URAYCDDDLJNFTB-LJQANCHMSA-N 1 3 331.460 1.178 20 0 EDADHO CN(CCN1CCCC1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531291548 448054472 /nfs/dbraw/zinc/05/44/72/448054472.db2.gz URAYCDDDLJNFTB-LJQANCHMSA-N 1 3 331.460 1.178 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)N(C)C1 ZINC000502025817 448099413 /nfs/dbraw/zinc/09/94/13/448099413.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)N(C)C1 ZINC000502025817 448099420 /nfs/dbraw/zinc/09/94/20/448099420.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 1 3 340.512 1.467 20 0 EDADHO CC(C)OCC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000570794830 448065053 /nfs/dbraw/zinc/06/50/53/448065053.db2.gz HYMYHYATDIHPOQ-BZSNNMDCSA-N 1 3 328.497 1.520 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156470 448111845 /nfs/dbraw/zinc/11/18/45/448111845.db2.gz DBKSBZXHLQKKIA-QZTJIDSGSA-N 1 3 331.508 1.973 20 0 EDADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000571185487 448122007 /nfs/dbraw/zinc/12/20/07/448122007.db2.gz LJXGYBNNYFDYRR-STQMWFEESA-N 1 3 330.423 1.403 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695790 448129154 /nfs/dbraw/zinc/12/91/54/448129154.db2.gz XBAKOCBALDZYCM-KMFMINBZSA-N 1 3 347.459 1.241 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695790 448129157 /nfs/dbraw/zinc/12/91/57/448129157.db2.gz XBAKOCBALDZYCM-KMFMINBZSA-N 1 3 347.459 1.241 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000492064966 448172504 /nfs/dbraw/zinc/17/25/04/448172504.db2.gz GTLWYCHGGKPIPH-YVMONPNESA-N 1 3 331.460 1.377 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000527127483 448166736 /nfs/dbraw/zinc/16/67/36/448166736.db2.gz RZBBJDARQVKJCS-UHFFFAOYSA-N 1 3 349.479 1.346 20 0 EDADHO COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000515405066 448308381 /nfs/dbraw/zinc/30/83/81/448308381.db2.gz VZXKOHRLLRFCNP-ROUUACIJSA-N 1 3 345.487 1.899 20 0 EDADHO COc1cccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000515405066 448308383 /nfs/dbraw/zinc/30/83/83/448308383.db2.gz VZXKOHRLLRFCNP-ROUUACIJSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@@](C)([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000572223114 448318031 /nfs/dbraw/zinc/31/80/31/448318031.db2.gz DCBNZEFURRKQEL-YOEHRIQHSA-N 1 3 328.501 1.325 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCSC1 ZINC000572227368 448319395 /nfs/dbraw/zinc/31/93/95/448319395.db2.gz TUJVBLPYGKTGKC-LZLYRXPVSA-N 1 3 348.516 1.479 20 0 EDADHO C[C@H]1CCN(CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000577386362 448285136 /nfs/dbraw/zinc/28/51/36/448285136.db2.gz PRQJEGIWXIOGLL-GOEBONIOSA-N 1 3 325.522 1.662 20 0 EDADHO Brc1cnn(C2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000577730960 448372226 /nfs/dbraw/zinc/37/22/26/448372226.db2.gz JZIYACBWVVFEPF-UHFFFAOYSA-N 1 3 342.285 1.188 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCCO3)CC2)CC1 ZINC000578024400 448445124 /nfs/dbraw/zinc/44/51/24/448445124.db2.gz WYYMNTVTUNNDEX-IBGZPJMESA-N 1 3 337.508 1.868 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516772668 448471610 /nfs/dbraw/zinc/47/16/10/448471610.db2.gz LBOXVQCXPBRRBX-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000516772668 448471614 /nfs/dbraw/zinc/47/16/14/448471614.db2.gz LBOXVQCXPBRRBX-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CN(C[C@H](O)C[NH2+]CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762036 448469375 /nfs/dbraw/zinc/46/93/75/448469375.db2.gz SBTSRHMGBNUUAX-HXUWFJFHSA-N 1 3 346.519 1.243 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCCCO)CC2)CC1 ZINC000566468514 448484218 /nfs/dbraw/zinc/48/42/18/448484218.db2.gz MJORKNWTQDAUTN-INIZCTEOSA-N 1 3 339.524 1.850 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000566687708 448540385 /nfs/dbraw/zinc/54/03/85/448540385.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 1 3 328.460 1.669 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000566687708 448540387 /nfs/dbraw/zinc/54/03/87/448540387.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 1 3 328.460 1.669 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153931 448545756 /nfs/dbraw/zinc/54/57/56/448545756.db2.gz LAGIBDZUFJLJOG-OAGGEKHMSA-N 1 3 331.464 1.237 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428489 448622821 /nfs/dbraw/zinc/62/28/21/448622821.db2.gz MWKUYCJMWVYCDE-JQHSSLGASA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519044034 448734924 /nfs/dbraw/zinc/73/49/24/448734924.db2.gz XOZKSKGQALOFRK-WMLDXEAASA-N 1 3 334.464 1.643 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000579369610 448779770 /nfs/dbraw/zinc/77/97/70/448779770.db2.gz HLEVDKUWOGTNFU-BDXSIMOUSA-N 1 3 327.513 1.263 20 0 EDADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000574071282 448785817 /nfs/dbraw/zinc/78/58/17/448785817.db2.gz CQYMOSBPRLMIRE-QAPCUYQASA-N 1 3 328.497 1.786 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306687 448814736 /nfs/dbraw/zinc/81/47/36/448814736.db2.gz JACRKAUMDYJYKV-DOTOQJQBSA-N 1 3 336.480 1.023 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000579470025 448801052 /nfs/dbraw/zinc/80/10/52/448801052.db2.gz YOIPVOJNTURNPI-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NC2(C[NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000529314761 448818211 /nfs/dbraw/zinc/81/82/11/448818211.db2.gz HUGOZCXIQYZLNX-RDJZCZTQSA-N 1 3 346.475 1.457 20 0 EDADHO Cc1cnc([C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000546043590 448818785 /nfs/dbraw/zinc/81/87/85/448818785.db2.gz BYOQNMNEEUGBPX-CYBMUJFWSA-N 1 3 341.525 1.690 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@@H]3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000568163648 448826329 /nfs/dbraw/zinc/82/63/29/448826329.db2.gz KNSJCJLTTPDADT-NUJGCVRESA-N 1 3 337.508 1.724 20 0 EDADHO CN(C(=O)N[C@H]1CCC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000579690745 448853131 /nfs/dbraw/zinc/85/31/31/448853131.db2.gz ALRDSPICMVMTLZ-KRWDZBQOSA-N 1 3 345.491 1.482 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000579702490 448856487 /nfs/dbraw/zinc/85/64/87/448856487.db2.gz WCQFMADHWOMPQS-MRXNPFEDSA-N 1 3 339.455 1.181 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585095 448911042 /nfs/dbraw/zinc/91/10/42/448911042.db2.gz SLLYAXIKDURAEZ-RDJZCZTQSA-N 1 3 331.460 1.746 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585095 448911048 /nfs/dbraw/zinc/91/10/48/448911048.db2.gz SLLYAXIKDURAEZ-RDJZCZTQSA-N 1 3 331.460 1.746 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887768 /nfs/dbraw/zinc/88/77/68/448887768.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 1 3 343.471 1.178 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887773 /nfs/dbraw/zinc/88/77/73/448887773.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 1 3 343.471 1.178 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144040 448976469 /nfs/dbraw/zinc/97/64/69/448976469.db2.gz AGMKHGDMUPYMAX-OALUTQOASA-N 1 3 342.487 1.990 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029511 /nfs/dbraw/zinc/02/95/11/449029511.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 1 3 349.519 1.568 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029515 /nfs/dbraw/zinc/02/95/15/449029515.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 1 3 349.519 1.568 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956835 449077471 /nfs/dbraw/zinc/07/74/71/449077471.db2.gz ZPQBCXQLRFMNKN-WBVHZDCISA-N 1 3 341.459 1.752 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)C[C@H](C)O)CC2)CC1 ZINC000582310804 449064348 /nfs/dbraw/zinc/06/43/48/449064348.db2.gz UBSIYTZSZWMIIU-GJZGRUSLSA-N 1 3 325.497 1.458 20 0 EDADHO C[NH2+]CCOCCN(C)Cc1ccc(I)cc1 ZINC000600724606 449519518 /nfs/dbraw/zinc/51/95/18/449519518.db2.gz BWJPCADOOLYYEJ-UHFFFAOYSA-N 1 3 348.228 1.959 20 0 EDADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617554421 449685084 /nfs/dbraw/zinc/68/50/84/449685084.db2.gz BKJSNLUBZBWUNX-IBGZPJMESA-N 1 3 344.503 1.995 20 0 EDADHO CCN(C(=O)c1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000617554421 449685093 /nfs/dbraw/zinc/68/50/93/449685093.db2.gz BKJSNLUBZBWUNX-IBGZPJMESA-N 1 3 344.503 1.995 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1F ZINC000617506731 449655626 /nfs/dbraw/zinc/65/56/26/449655626.db2.gz XLHWGMYEQVWUGJ-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)cc1F ZINC000617506731 449655631 /nfs/dbraw/zinc/65/56/31/449655631.db2.gz XLHWGMYEQVWUGJ-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c2c(nn1C)CCCC2 ZINC000617506772 449656581 /nfs/dbraw/zinc/65/65/81/449656581.db2.gz YUUWVCZKDSPIEX-AWEZNQCLSA-N 1 3 335.496 1.301 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c2c(nn1C)CCCC2 ZINC000617506772 449656587 /nfs/dbraw/zinc/65/65/87/449656587.db2.gz YUUWVCZKDSPIEX-AWEZNQCLSA-N 1 3 335.496 1.301 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC(F)F ZINC000617507078 449656615 /nfs/dbraw/zinc/65/66/15/449656615.db2.gz HEVHMIUBCKRWDW-LBPRGKRZSA-N 1 3 331.411 1.150 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC(F)F ZINC000617507078 449656622 /nfs/dbraw/zinc/65/66/22/449656622.db2.gz HEVHMIUBCKRWDW-LBPRGKRZSA-N 1 3 331.411 1.150 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000602586754 449688440 /nfs/dbraw/zinc/68/84/40/449688440.db2.gz UNYAEEANPCCKSZ-CQSZACIVSA-N 1 3 325.453 1.134 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000594919865 449807398 /nfs/dbraw/zinc/80/73/98/449807398.db2.gz CQMVFBDYZZOXLC-IAOVAPTHSA-N 1 3 347.459 1.265 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)n2)CC1 ZINC000625883790 450527614 /nfs/dbraw/zinc/52/76/14/450527614.db2.gz QNXBENAMMKUHPF-HDICACEKSA-N 1 3 346.479 1.613 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)Nc2ccc3c(c2)OCCNC3)cn1 ZINC000625939546 450538522 /nfs/dbraw/zinc/53/85/22/450538522.db2.gz CUDLWAONCYZENV-UHFFFAOYSA-N 1 3 344.419 1.571 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000625943974 450539356 /nfs/dbraw/zinc/53/93/56/450539356.db2.gz BHUAUIWAMBQURJ-CVEARBPZSA-N 1 3 330.432 1.917 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000625943974 450539358 /nfs/dbraw/zinc/53/93/58/450539358.db2.gz BHUAUIWAMBQURJ-CVEARBPZSA-N 1 3 330.432 1.917 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626076450 450569539 /nfs/dbraw/zinc/56/95/39/450569539.db2.gz NCFAWCUKGJANEQ-FZDIXFNVSA-N 1 3 327.472 1.931 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626076450 450569540 /nfs/dbraw/zinc/56/95/40/450569540.db2.gz NCFAWCUKGJANEQ-FZDIXFNVSA-N 1 3 327.472 1.931 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000623758929 450578944 /nfs/dbraw/zinc/57/89/44/450578944.db2.gz SMHFRCFFVBLKHR-LJQANCHMSA-N 1 3 346.519 1.375 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnc(-c2ccccc2)o1 ZINC000631443693 450593181 /nfs/dbraw/zinc/59/31/81/450593181.db2.gz QTTIXXMRBBMEHT-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnc(-c2ccccc2)o1 ZINC000631443693 450593189 /nfs/dbraw/zinc/59/31/89/450593189.db2.gz QTTIXXMRBBMEHT-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1 ZINC000621160103 450607242 /nfs/dbraw/zinc/60/72/42/450607242.db2.gz YZJOALUCKSBAKB-HOTGVXAUSA-N 1 3 325.522 1.660 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000631674008 450705036 /nfs/dbraw/zinc/70/50/36/450705036.db2.gz CVLZAPLEOUKSSW-LUKYLMHMSA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1C ZINC000631674008 450705040 /nfs/dbraw/zinc/70/50/40/450705040.db2.gz CVLZAPLEOUKSSW-LUKYLMHMSA-N 1 3 325.497 1.722 20 0 EDADHO Cc1cncc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553509 450731790 /nfs/dbraw/zinc/73/17/90/450731790.db2.gz WLCFUMVZIQVURK-KRWDZBQOSA-N 1 3 340.475 1.902 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828236 450800993 /nfs/dbraw/zinc/80/09/93/450800993.db2.gz JNWNPTPUMSXJKA-QGZVFWFLSA-N 1 3 327.432 1.647 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828236 450800999 /nfs/dbraw/zinc/80/09/99/450800999.db2.gz JNWNPTPUMSXJKA-QGZVFWFLSA-N 1 3 327.432 1.647 20 0 EDADHO Cn1c2cc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828393 450801481 /nfs/dbraw/zinc/80/14/81/450801481.db2.gz NYPNCFRXAGZIKY-QAPCUYQASA-N 1 3 345.443 1.850 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631938829 450896634 /nfs/dbraw/zinc/89/66/34/450896634.db2.gz NFYXPCNHXGOWMV-MRXNPFEDSA-N 1 3 329.510 1.124 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012684 450967477 /nfs/dbraw/zinc/96/74/77/450967477.db2.gz WDKYYMWWAIHIBN-MAUKXSAKSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012684 450967479 /nfs/dbraw/zinc/96/74/79/450967479.db2.gz WDKYYMWWAIHIBN-MAUKXSAKSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626921585 451005372 /nfs/dbraw/zinc/00/53/72/451005372.db2.gz DHXMCAWMEQMMMR-IRXDYDNUSA-N 1 3 330.476 1.743 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626955153 451032731 /nfs/dbraw/zinc/03/27/31/451032731.db2.gz VMXWWBXRQOESAU-RYQLBKOJSA-N 1 3 330.476 1.948 20 0 EDADHO CN(CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)CC(C)(C)C ZINC000635543285 451038990 /nfs/dbraw/zinc/03/89/90/451038990.db2.gz ORWULOGXSOGLOF-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C[NH2+]1 ZINC000627011974 451077426 /nfs/dbraw/zinc/07/74/26/451077426.db2.gz NVBOMNGUORKQMP-ZTFGCOKTSA-N 1 3 346.475 1.193 20 0 EDADHO CCN(CC[NH3+])C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000627032205 451091252 /nfs/dbraw/zinc/09/12/52/451091252.db2.gz OOFZHFWIWCDRBZ-UHFFFAOYSA-N 1 3 334.464 1.650 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000632209332 451117822 /nfs/dbraw/zinc/11/78/22/451117822.db2.gz FIKYMLVRZJFLEG-FJIDUMEYSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000632209332 451117829 /nfs/dbraw/zinc/11/78/29/451117829.db2.gz FIKYMLVRZJFLEG-FJIDUMEYSA-N 1 3 336.524 1.201 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000627245504 451206342 /nfs/dbraw/zinc/20/63/42/451206342.db2.gz OOFWCOXWEIKVRF-DZJNRPSUSA-N 1 3 328.460 1.653 20 0 EDADHO C[C@@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091645 451257420 /nfs/dbraw/zinc/25/74/20/451257420.db2.gz PGABUHWJUNSVPG-QAPCUYQASA-N 1 3 332.492 1.292 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638100680 451267635 /nfs/dbraw/zinc/26/76/35/451267635.db2.gz SAFGPGZQHNXKCA-KRWDZBQOSA-N 1 3 347.459 1.307 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234036 451372964 /nfs/dbraw/zinc/37/29/64/451372964.db2.gz KGLICORZCCNAGA-PKOBYXMFSA-N 1 3 330.476 1.048 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630751594 451382527 /nfs/dbraw/zinc/38/25/27/451382527.db2.gz SOSHZEPMBBUFFI-HOTGVXAUSA-N 1 3 335.496 1.543 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368290 451467456 /nfs/dbraw/zinc/46/74/56/451467456.db2.gz VEVIIWYZQYTYMT-GOSISDBHSA-N 1 3 330.476 1.192 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386586 451479896 /nfs/dbraw/zinc/47/98/96/451479896.db2.gz NPLQHVAPLGKITD-XHSDSOJGSA-N 1 3 325.497 1.709 20 0 EDADHO O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719653 451499667 /nfs/dbraw/zinc/49/96/67/451499667.db2.gz WQMLFHUSYRCLOS-MOPGFXCFSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719653 451499668 /nfs/dbraw/zinc/49/96/68/451499668.db2.gz WQMLFHUSYRCLOS-MOPGFXCFSA-N 1 3 334.460 1.001 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638425115 451508487 /nfs/dbraw/zinc/50/84/87/451508487.db2.gz HSUBFDYYNAPKQB-KSZLIROESA-N 1 3 343.471 1.521 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638425115 451508491 /nfs/dbraw/zinc/50/84/91/451508491.db2.gz HSUBFDYYNAPKQB-KSZLIROESA-N 1 3 343.471 1.521 20 0 EDADHO O=c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000631162242 451618030 /nfs/dbraw/zinc/61/80/30/451618030.db2.gz CCZDSXQSZCOKGN-UHFFFAOYSA-N 1 3 327.428 1.904 20 0 EDADHO CCC[C@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640836164 451621235 /nfs/dbraw/zinc/62/12/35/451621235.db2.gz BSTYGCJDUNTWQT-RDJZCZTQSA-N 1 3 344.463 1.497 20 0 EDADHO CO[C@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000638669287 451642445 /nfs/dbraw/zinc/64/24/45/451642445.db2.gz QMWYXCSLQOJWSE-MAUKXSAKSA-N 1 3 326.481 1.519 20 0 EDADHO CC[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N(CC)CC ZINC000638783473 451689909 /nfs/dbraw/zinc/68/99/09/451689909.db2.gz MCKRYAGCTLMRHG-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637079516 451712842 /nfs/dbraw/zinc/71/28/42/451712842.db2.gz YXQMKFYUNPLBMA-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638728992 451669083 /nfs/dbraw/zinc/66/90/83/451669083.db2.gz OOKKWHAVLCGFJL-INIZCTEOSA-N 1 3 325.497 1.853 20 0 EDADHO CC[C@H](C)[NH2+][C@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccco1 ZINC000637139403 451739321 /nfs/dbraw/zinc/73/93/21/451739321.db2.gz JYQAULOTGBSQBQ-SOUVJXGZSA-N 1 3 338.452 1.075 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000638977016 451744403 /nfs/dbraw/zinc/74/44/03/451744403.db2.gz NVSGXLFPEVYVDF-GUDVDZBRSA-N 1 3 334.460 1.394 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cn1 ZINC000639063931 451760502 /nfs/dbraw/zinc/76/05/02/451760502.db2.gz LACKCOVUBKANQG-AWEZNQCLSA-N 1 3 327.432 1.538 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641174822 451769129 /nfs/dbraw/zinc/76/91/29/451769129.db2.gz XBRAVMNVWKVQEU-QGZVFWFLSA-N 1 3 328.460 1.821 20 0 EDADHO CNCC(=O)Nc1cccc(-c2cn(CC3CC[NH2+]CC3)nn2)c1 ZINC000641233665 451792090 /nfs/dbraw/zinc/79/20/90/451792090.db2.gz WKZKHFCDPIVGNI-UHFFFAOYSA-N 1 3 328.420 1.103 20 0 EDADHO CC(C)(C)[C@@]1(C[NH+]2C[C@H](O)[C@@H](O)C2)CCN(Cc2ccccc2)C1 ZINC000639347358 451838426 /nfs/dbraw/zinc/83/84/26/451838426.db2.gz ZJQYXVRTVZCDFS-BJLQDIEVSA-N 1 3 332.488 1.962 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000653369476 451881538 /nfs/dbraw/zinc/88/15/38/451881538.db2.gz RYIBIMIDKRTOLR-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000653369476 451881546 /nfs/dbraw/zinc/88/15/46/451881546.db2.gz RYIBIMIDKRTOLR-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N[C@H]1CCCN(CCCO)C1 ZINC000637469278 451883970 /nfs/dbraw/zinc/88/39/70/451883970.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)N[C@H]1CCCN(CCCO)C1 ZINC000637469278 451883975 /nfs/dbraw/zinc/88/39/75/451883975.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 1 3 338.496 1.149 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000649268400 451941260 /nfs/dbraw/zinc/94/12/60/451941260.db2.gz BGGXTAPPTXRPQO-HKUYNNGSSA-N 1 3 333.476 1.954 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649310483 451987804 /nfs/dbraw/zinc/98/78/04/451987804.db2.gz MJKSCWOKIWDPOJ-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649310483 451987812 /nfs/dbraw/zinc/98/78/12/451987812.db2.gz MJKSCWOKIWDPOJ-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649321952 452002318 /nfs/dbraw/zinc/00/23/18/452002318.db2.gz ZJCLKTNNSHTKDR-BPQIPLTHSA-N 1 3 331.460 1.392 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000637662156 452005156 /nfs/dbraw/zinc/00/51/56/452005156.db2.gz SJOMUASWSCLNJN-WMLDXEAASA-N 1 3 346.479 1.708 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363801 452043123 /nfs/dbraw/zinc/04/31/23/452043123.db2.gz ODXZUBQYRRJUOS-QZTJIDSGSA-N 1 3 336.524 1.252 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721336 452046588 /nfs/dbraw/zinc/04/65/88/452046588.db2.gz ZRRCTQMPQVPZAW-PKOBYXMFSA-N 1 3 348.491 1.181 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062229 /nfs/dbraw/zinc/06/22/29/452062229.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 1 3 336.524 1.663 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062234 /nfs/dbraw/zinc/06/22/34/452062234.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 1 3 336.524 1.663 20 0 EDADHO CN1CCC(C[NH2+]Cc2cc3cnccc3o2)(N2CCOCC2)CC1 ZINC000651830167 452103003 /nfs/dbraw/zinc/10/30/03/452103003.db2.gz BOZRDCXJMMKJRW-UHFFFAOYSA-N 1 3 344.459 1.714 20 0 EDADHO O=S(=O)(Nc1ccccc1)[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000647538263 452270532 /nfs/dbraw/zinc/27/05/32/452270532.db2.gz KMOGYQMAGRXKKM-KRWDZBQOSA-N 1 3 337.489 1.892 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H]2C[C@H](N)C2(C)C)cc1 ZINC000641805449 452282480 /nfs/dbraw/zinc/28/24/80/452282480.db2.gz OESHCYCSWKPDDP-GJZGRUSLSA-N 1 3 341.477 1.031 20 0 EDADHO C[C@@H](CCNC(=O)NCc1cccc(OCCN(C)C)c1)[NH+](C)C ZINC000663586524 452312311 /nfs/dbraw/zinc/31/23/11/452312311.db2.gz XUVJUSLTOCTBQL-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000638049331 452317701 /nfs/dbraw/zinc/31/77/01/452317701.db2.gz CVJRSEBFMXMOKB-JENIJYKNSA-N 1 3 331.460 1.707 20 0 EDADHO CCOC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757203 452324734 /nfs/dbraw/zinc/32/47/34/452324734.db2.gz BEBYCJHREJAFHG-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO CCOC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757203 452324741 /nfs/dbraw/zinc/32/47/41/452324741.db2.gz BEBYCJHREJAFHG-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000665758279 452325523 /nfs/dbraw/zinc/32/55/23/452325523.db2.gz DMBKFHUAYHIHAH-KKUMJFAQSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000665758279 452325534 /nfs/dbraw/zinc/32/55/34/452325534.db2.gz DMBKFHUAYHIHAH-KKUMJFAQSA-N 1 3 330.542 1.794 20 0 EDADHO COCCC1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762690 452341289 /nfs/dbraw/zinc/34/12/89/452341289.db2.gz MXAZAVPICUCESC-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO COCCC1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762690 452341311 /nfs/dbraw/zinc/34/13/11/452341311.db2.gz MXAZAVPICUCESC-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000665764127 452349522 /nfs/dbraw/zinc/34/95/22/452349522.db2.gz VOPHKUSZDNKACC-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@@H](CO)C1 ZINC000665764127 452349532 /nfs/dbraw/zinc/34/95/32/452349532.db2.gz VOPHKUSZDNKACC-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCCN1 ZINC000638069528 452374783 /nfs/dbraw/zinc/37/47/83/452374783.db2.gz QAMQNAYFCGRUEL-FUHWJXTLSA-N 1 3 325.497 1.772 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079354 452395708 /nfs/dbraw/zinc/39/57/08/452395708.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 1 3 332.492 1.292 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079354 452395720 /nfs/dbraw/zinc/39/57/20/452395720.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 1 3 332.492 1.292 20 0 EDADHO COC[C@@]1(C(=O)N2CCCN(Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473517 452443688 /nfs/dbraw/zinc/44/36/88/452443688.db2.gz RHJAEOXTEDQGLJ-HXUWFJFHSA-N 1 3 345.487 1.655 20 0 EDADHO C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000647710559 452446062 /nfs/dbraw/zinc/44/60/62/452446062.db2.gz FKFJFIPPPWHXPX-QFBILLFUSA-N 1 3 347.503 1.368 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645512474 452479749 /nfs/dbraw/zinc/47/97/49/452479749.db2.gz HVOQVZKHGAQCAJ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645512474 452479752 /nfs/dbraw/zinc/47/97/52/452479752.db2.gz HVOQVZKHGAQCAJ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CN(CC[NH+](C)C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666150875 452643837 /nfs/dbraw/zinc/64/38/37/452643837.db2.gz CCUAGPRZMQXOIE-UHFFFAOYSA-N 1 3 333.480 1.497 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000650266441 452645921 /nfs/dbraw/zinc/64/59/21/452645921.db2.gz AICOXTHUOHNSDP-UHFFFAOYSA-N 1 3 349.479 1.623 20 0 EDADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000657969234 452649036 /nfs/dbraw/zinc/64/90/36/452649036.db2.gz KPFMCOCFLHVJDN-YJBOKZPZSA-N 1 3 329.448 1.413 20 0 EDADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000657969234 452649041 /nfs/dbraw/zinc/64/90/41/452649041.db2.gz KPFMCOCFLHVJDN-YJBOKZPZSA-N 1 3 329.448 1.413 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655911446 452668015 /nfs/dbraw/zinc/66/80/15/452668015.db2.gz JJHDBRWRVMFZJF-ZIAGYGMSSA-N 1 3 344.381 1.840 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975675 452720799 /nfs/dbraw/zinc/72/07/99/452720799.db2.gz DMTWYGOKKLJCEP-ULQDDVLXSA-N 1 3 325.497 1.629 20 0 EDADHO COc1ccc(COCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000647985870 452729275 /nfs/dbraw/zinc/72/92/75/452729275.db2.gz QLTVICQHAAYQFR-KRWDZBQOSA-N 1 3 334.460 1.899 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000659850801 452734879 /nfs/dbraw/zinc/73/48/79/452734879.db2.gz BGSXOUBJEXZUOI-UHFFFAOYSA-N 1 3 339.505 1.758 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658146936 452755340 /nfs/dbraw/zinc/75/53/40/452755340.db2.gz WOMIFPUHFLZNBQ-APWZRJJASA-N 1 3 347.503 1.990 20 0 EDADHO CC[N@H+](CCCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000652700161 452849260 /nfs/dbraw/zinc/84/92/60/452849260.db2.gz MBCSYVGJGWIENF-MRXNPFEDSA-N 1 3 338.496 1.001 20 0 EDADHO CC[N@@H+](CCCNC(=O)C(=O)N[C@H](CN)C1CC1)C1CCCCC1 ZINC000652700161 452849270 /nfs/dbraw/zinc/84/92/70/452849270.db2.gz MBCSYVGJGWIENF-MRXNPFEDSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H]1CN(CCN2CCC(OCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000659975190 452880789 /nfs/dbraw/zinc/88/07/89/452880789.db2.gz VNKDHFPFHKOUHM-HDICACEKSA-N 1 3 339.524 1.672 20 0 EDADHO Cc1cc(NCC[N@@H+](C)CCCN(C)C)nc(-c2ccncc2)n1 ZINC000664248170 452927874 /nfs/dbraw/zinc/92/78/74/452927874.db2.gz XIRTUCOBXFAZNI-UHFFFAOYSA-N 1 3 328.464 1.564 20 0 EDADHO Cc1cc(NCC[N@H+](C)CCCN(C)C)nc(-c2ccncc2)n1 ZINC000664248170 452927878 /nfs/dbraw/zinc/92/78/78/452927878.db2.gz XIRTUCOBXFAZNI-UHFFFAOYSA-N 1 3 328.464 1.564 20 0 EDADHO C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000650708611 452945787 /nfs/dbraw/zinc/94/57/87/452945787.db2.gz HCOPAQLVSPAUNC-DNVCBOLYSA-N 1 3 333.451 1.986 20 0 EDADHO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000650708611 452945793 /nfs/dbraw/zinc/94/57/93/452945793.db2.gz HCOPAQLVSPAUNC-DNVCBOLYSA-N 1 3 333.451 1.986 20 0 EDADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276464 453001684 /nfs/dbraw/zinc/00/16/84/453001684.db2.gz JBIXPKRWDCSCFN-JKSUJKDBSA-N 1 3 345.491 1.705 20 0 EDADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000662276457 453002463 /nfs/dbraw/zinc/00/24/63/453002463.db2.gz JBIXPKRWDCSCFN-CVEARBPZSA-N 1 3 345.491 1.705 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000662274112 453002742 /nfs/dbraw/zinc/00/27/42/453002742.db2.gz DGMSFBRSJAOTSV-KRWDZBQOSA-N 1 3 337.489 1.559 20 0 EDADHO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662283651 453007871 /nfs/dbraw/zinc/00/78/71/453007871.db2.gz COAMOMRQYQSORV-INIZCTEOSA-N 1 3 341.377 1.833 20 0 EDADHO Cn1cc(N2CC[C@H](N3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292275 453014897 /nfs/dbraw/zinc/01/48/97/453014897.db2.gz CVAHYHYKCWDOKI-RDJZCZTQSA-N 1 3 331.464 1.237 20 0 EDADHO CCCCOCCNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295566 453018869 /nfs/dbraw/zinc/01/88/69/453018869.db2.gz GWPCOOOVLRWTOO-QGZVFWFLSA-N 1 3 325.497 1.631 20 0 EDADHO C[C@@H]1CCCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313606 453030836 /nfs/dbraw/zinc/03/08/36/453030836.db2.gz JJHPXZUOZMIKDY-TVFCKZIOSA-N 1 3 337.508 1.996 20 0 EDADHO Cn1nccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328151 453048349 /nfs/dbraw/zinc/04/83/49/453048349.db2.gz ZIGLVPDQYYQJQC-UHFFFAOYSA-N 1 3 328.464 1.990 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000666676627 453060862 /nfs/dbraw/zinc/06/08/62/453060862.db2.gz FJTADINHTQHEGS-UHFFFAOYSA-N 1 3 331.464 1.572 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000666683611 453062216 /nfs/dbraw/zinc/06/22/16/453062216.db2.gz LGJUBWHWDCRVGH-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664407513 453067787 /nfs/dbraw/zinc/06/77/87/453067787.db2.gz GQCAKIVFDXQVSF-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664407513 453067794 /nfs/dbraw/zinc/06/77/94/453067794.db2.gz GQCAKIVFDXQVSF-RDJZCZTQSA-N 1 3 338.496 1.101 20 0 EDADHO CC(C)N1CCN(C2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660151163 453082133 /nfs/dbraw/zinc/08/21/33/453082133.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 1 3 340.556 1.178 20 0 EDADHO CC(C)N1CCN(C2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000660151163 453082140 /nfs/dbraw/zinc/08/21/40/453082140.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 1 3 340.556 1.178 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000666831398 453175604 /nfs/dbraw/zinc/17/56/04/453175604.db2.gz CIQQQUKVIBPONC-CZUORRHYSA-N 1 3 336.436 1.207 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000664537547 453176885 /nfs/dbraw/zinc/17/68/85/453176885.db2.gz OGUCXQFVBAKHRO-MRXNPFEDSA-N 1 3 339.528 1.184 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000653108276 453291400 /nfs/dbraw/zinc/29/14/00/453291400.db2.gz QEQAOWOVLSMHLN-GOSISDBHSA-N 1 3 332.492 1.089 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653108991 453294097 /nfs/dbraw/zinc/29/40/97/453294097.db2.gz PAIWWBIQFVDWEM-ROUUACIJSA-N 1 3 331.460 1.774 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576426 453303429 /nfs/dbraw/zinc/30/34/29/453303429.db2.gz XMIJSUFAXWRYLF-RDJZCZTQSA-N 1 3 340.431 1.135 20 0 EDADHO CC(C)NCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662578584 453304696 /nfs/dbraw/zinc/30/46/96/453304696.db2.gz RTRKLLGSOVMSRI-UHFFFAOYSA-N 1 3 333.480 1.581 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000648857572 453334735 /nfs/dbraw/zinc/33/47/35/453334735.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CC[N@H+]1C ZINC000648857572 453334741 /nfs/dbraw/zinc/33/47/41/453334741.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381408 /nfs/dbraw/zinc/38/14/08/453381408.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381412 /nfs/dbraw/zinc/38/14/12/453381412.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192203 453382112 /nfs/dbraw/zinc/38/21/12/453382112.db2.gz ITRCBHQWEPOMQI-BSDSXHPESA-N 1 3 331.460 1.301 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662668941 453383086 /nfs/dbraw/zinc/38/30/86/453383086.db2.gz TZAZXAJWGKNKKP-WTXIUTQJSA-N 1 3 333.476 1.324 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000662694443 453414731 /nfs/dbraw/zinc/41/47/31/453414731.db2.gz WIQKZIHIBDQQJM-KURKYZTESA-N 1 3 331.460 1.521 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000667138260 453430131 /nfs/dbraw/zinc/43/01/31/453430131.db2.gz ZTHXCCNBJDDIHL-CVEARBPZSA-N 1 3 348.495 1.831 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000651295860 453443422 /nfs/dbraw/zinc/44/34/22/453443422.db2.gz QSGWFJMELWCKSJ-KURKYZTESA-N 1 3 335.492 1.334 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492363 /nfs/dbraw/zinc/49/23/63/453492363.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 1 3 348.443 1.573 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658095 453492368 /nfs/dbraw/zinc/49/23/68/453492368.db2.gz BUJBXZZXFIVVBF-HNAYVOBHSA-N 1 3 348.443 1.573 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444047 453531708 /nfs/dbraw/zinc/53/17/08/453531708.db2.gz ISZAVRPEVCZFEC-HKUYNNGSSA-N 1 3 331.460 1.633 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc3c2CNC3)C1 ZINC000662831899 453558549 /nfs/dbraw/zinc/55/85/49/453558549.db2.gz SPOZIGCLRXGDOH-JLSDUUJJSA-N 1 3 329.444 1.791 20 0 EDADHO CC(C)(N)c1nocc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662877717 453584386 /nfs/dbraw/zinc/58/43/86/453584386.db2.gz FVXFNCKQEVFIGK-AWEZNQCLSA-N 1 3 330.388 1.782 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659032735 453590067 /nfs/dbraw/zinc/59/00/67/453590067.db2.gz GYFLTENBIMCQQU-KRWDZBQOSA-N 1 3 332.448 1.907 20 0 EDADHO CC[N@H+]1CCCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659032735 453590070 /nfs/dbraw/zinc/59/00/70/453590070.db2.gz GYFLTENBIMCQQU-KRWDZBQOSA-N 1 3 332.448 1.907 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc3c2CCNC3)CCO1 ZINC000662973158 453631485 /nfs/dbraw/zinc/63/14/85/453631485.db2.gz OZMGDRYPCYIXSE-INIZCTEOSA-N 1 3 331.460 1.515 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036115 453689131 /nfs/dbraw/zinc/68/91/31/453689131.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661036115 453689133 /nfs/dbraw/zinc/68/91/33/453689133.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351616 453725278 /nfs/dbraw/zinc/72/52/78/453725278.db2.gz JEPNZOTUCMZARL-ULQDDVLXSA-N 1 3 335.423 1.156 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661202247 453756282 /nfs/dbraw/zinc/75/62/82/453756282.db2.gz ZSSGPASBVARJAQ-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661202247 453756285 /nfs/dbraw/zinc/75/62/85/453756285.db2.gz ZSSGPASBVARJAQ-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO c1nc(N[C@H]2CCN(C3CC3)C2)cc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663425751 453794714 /nfs/dbraw/zinc/79/47/14/453794714.db2.gz SDEHSIVJTJLOGD-KBPBESRZSA-N 1 3 328.464 1.774 20 0 EDADHO c1nc(N[C@H]2CCN(C3CC3)C2)cc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000663425751 453794716 /nfs/dbraw/zinc/79/47/16/453794716.db2.gz SDEHSIVJTJLOGD-KBPBESRZSA-N 1 3 328.464 1.774 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3nc4c(s3)CNCC4)CC2)C1 ZINC000663495812 453810306 /nfs/dbraw/zinc/81/03/06/453810306.db2.gz BDAGEKHLTVUERU-UKRRQHHQSA-N 1 3 336.505 1.507 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000382762543 486695596 /nfs/dbraw/zinc/69/55/96/486695596.db2.gz LXDDNCFQOZPXSP-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000382762543 486695600 /nfs/dbraw/zinc/69/56/00/486695600.db2.gz LXDDNCFQOZPXSP-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4n3CCC4)CC2)CC1 ZINC000667641359 486894263 /nfs/dbraw/zinc/89/42/63/486894263.db2.gz QOALUXLXLYFAPM-UHFFFAOYSA-N 1 3 331.464 1.118 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000667951217 487028319 /nfs/dbraw/zinc/02/83/19/487028319.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 1 3 345.487 1.662 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000667951217 487028325 /nfs/dbraw/zinc/02/83/25/487028325.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 1 3 345.487 1.662 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000677332252 487046927 /nfs/dbraw/zinc/04/69/27/487046927.db2.gz ARDSVRYRJUIJCP-QZTJIDSGSA-N 1 3 334.508 1.844 20 0 EDADHO Cc1ccccc1-n1cc(CNCCCC[NH+]2CCN(C)CC2)nn1 ZINC000673599908 487068022 /nfs/dbraw/zinc/06/80/22/487068022.db2.gz BCJVVNBCIUIZEB-UHFFFAOYSA-N 1 3 342.491 1.693 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531062324 487348307 /nfs/dbraw/zinc/34/83/07/487348307.db2.gz NXIADHBTVWDQJB-QFBILLFUSA-N 1 3 333.476 1.470 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000669521665 485491199 /nfs/dbraw/zinc/49/11/99/485491199.db2.gz DVQWTFZNPDWAIC-NXHRZFHOSA-N 1 3 346.475 1.327 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000669521665 485491208 /nfs/dbraw/zinc/49/12/08/485491208.db2.gz DVQWTFZNPDWAIC-NXHRZFHOSA-N 1 3 346.475 1.327 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669552595 485546494 /nfs/dbraw/zinc/54/64/94/485546494.db2.gz CHBSHYLOFMBRKN-HLLBOEOZSA-N 1 3 334.464 1.265 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000669139228 485729819 /nfs/dbraw/zinc/72/98/19/485729819.db2.gz QJYWIZKXQZQVLL-IRXDYDNUSA-N 1 3 346.475 1.378 20 0 EDADHO C[C@@H]1CCC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000672947043 485742162 /nfs/dbraw/zinc/74/21/62/485742162.db2.gz RKRFQPGPNNZBMN-CVEARBPZSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000669221000 485825121 /nfs/dbraw/zinc/82/51/21/485825121.db2.gz LRAHUPHCZUFXDP-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000669221000 485825124 /nfs/dbraw/zinc/82/51/24/485825124.db2.gz LRAHUPHCZUFXDP-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2oc1=O ZINC000236990601 485949091 /nfs/dbraw/zinc/94/90/91/485949091.db2.gz FLSYBAUOKZVBNT-OLZOCXBDSA-N 1 3 332.404 1.222 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NCC1(N2CCSCC2)CCCC1 ZINC000669389592 486025710 /nfs/dbraw/zinc/02/57/10/486025710.db2.gz ARBIICIYVQLOGE-UHFFFAOYSA-N 1 3 326.510 1.399 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669462468 486215856 /nfs/dbraw/zinc/21/58/56/486215856.db2.gz HHAGFQKKNBNAQE-KRWDZBQOSA-N 1 3 348.491 1.611 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)CNC[C@@H]1CCCO1)c1ccccc1 ZINC000159118564 528236026 /nfs/dbraw/zinc/23/60/26/528236026.db2.gz VEFVOMNJBYMNBO-ROUUACIJSA-N 1 3 333.476 1.954 20 0 EDADHO CC(C)[NH+]1CCN(CCCN2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000345854996 535200149 /nfs/dbraw/zinc/20/01/49/535200149.db2.gz XYGVLTHPXATLLN-OTWHNJEPSA-N 1 3 339.524 1.264 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339946987 535575042 /nfs/dbraw/zinc/57/50/42/535575042.db2.gz SCZSJRDUTYEWRD-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO CCC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000343851349 535579006 /nfs/dbraw/zinc/57/90/06/535579006.db2.gz OXGHPKNDTJNTNZ-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236939220 535691915 /nfs/dbraw/zinc/69/19/15/535691915.db2.gz WUGCAMBCVNHNSF-SQNIBIBYSA-N 1 3 336.524 1.441 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000236947169 535705479 /nfs/dbraw/zinc/70/54/79/535705479.db2.gz PJJVJMZWXYCUCZ-QFBILLFUSA-N 1 3 344.503 1.091 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996093 535706041 /nfs/dbraw/zinc/70/60/41/535706041.db2.gz VMRJXJZBUDHUJU-JKSUJKDBSA-N 1 3 326.529 1.543 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CCOCC2)cc1Cl ZINC000261863974 535907877 /nfs/dbraw/zinc/90/78/77/535907877.db2.gz NKLWLRICSOBCOR-UHFFFAOYSA-N 1 3 341.839 1.727 20 0 EDADHO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000347281634 535944839 /nfs/dbraw/zinc/94/48/39/535944839.db2.gz YLCAKNOIUPENPJ-CEXWTWQISA-N 1 3 347.503 1.680 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000262011865 536020030 /nfs/dbraw/zinc/02/00/30/536020030.db2.gz HOXWJKXQROKNHI-MRXNPFEDSA-N 1 3 325.478 1.544 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)[C@H]2C1 ZINC000353327375 536142453 /nfs/dbraw/zinc/14/24/53/536142453.db2.gz NQHAIDMJRFSARF-YCPHGPKFSA-N 1 3 326.510 1.159 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262823500 536560554 /nfs/dbraw/zinc/56/05/54/536560554.db2.gz XMSLQUZRNRWSFQ-ZOBUZTSGSA-N 1 3 341.496 1.088 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C1 ZINC000346007924 536775325 /nfs/dbraw/zinc/77/53/25/536775325.db2.gz IHDBEOWTAUGLIA-ZWKOTPCHSA-N 1 3 348.491 1.609 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754974 578783652 /nfs/dbraw/zinc/78/36/52/578783652.db2.gz ZGAOWLFXTDDUNZ-CQSZACIVSA-N 1 3 328.526 1.046 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCCO[C@@H](C)C1 ZINC000761550478 580059120 /nfs/dbraw/zinc/05/91/20/580059120.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 1 3 342.553 1.436 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCCO[C@@H](C)C1 ZINC000761550478 580059121 /nfs/dbraw/zinc/05/91/21/580059121.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 1 3 342.553 1.436 20 0 EDADHO COc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c(C)c1 ZINC000891833807 590644931 /nfs/dbraw/zinc/64/49/31/590644931.db2.gz MYUPHHSOLJEAKF-UHFFFAOYSA-N 1 3 333.476 1.893 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2cn(Cc3ccccc3)nn2)CC1 ZINC000893319649 590776647 /nfs/dbraw/zinc/77/66/47/590776647.db2.gz TZNYUHFWIHQPIR-UHFFFAOYSA-N 1 3 342.491 1.444 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2cn(Cc3ccccc3)nn2)CC1 ZINC000893319649 590776650 /nfs/dbraw/zinc/77/66/50/590776650.db2.gz TZNYUHFWIHQPIR-UHFFFAOYSA-N 1 3 342.491 1.444 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150694 590823141 /nfs/dbraw/zinc/82/31/41/590823141.db2.gz KQWOBCNBYIPCLO-CABCVRRESA-N 1 3 340.418 1.851 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1ccncc1 ZINC000892188729 590855150 /nfs/dbraw/zinc/85/51/50/590855150.db2.gz SCOIQNJCDREGGZ-QBPKDAKJSA-N 1 3 343.475 1.690 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000892237401 590880094 /nfs/dbraw/zinc/88/00/94/590880094.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 1 3 330.476 1.725 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000892237401 590880099 /nfs/dbraw/zinc/88/00/99/590880099.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 1 3 330.476 1.725 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892463847 591036423 /nfs/dbraw/zinc/03/64/23/591036423.db2.gz UNLXVTNDLBLJDC-UHFFFAOYSA-N 1 3 337.512 1.068 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490175 591047381 /nfs/dbraw/zinc/04/73/81/591047381.db2.gz ORIININDLBAYGG-SNVBAGLBSA-N 1 3 335.843 1.587 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000892530507 591059961 /nfs/dbraw/zinc/05/99/61/591059961.db2.gz PXIDVNCHCFUQFE-GOSISDBHSA-N 1 3 348.491 1.447 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114318 /nfs/dbraw/zinc/11/43/18/591114318.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114319 /nfs/dbraw/zinc/11/43/19/591114319.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 1 3 342.487 1.854 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576698 591132819 /nfs/dbraw/zinc/13/28/19/591132819.db2.gz NGIGUWPKCUDJCI-UPJWGTAASA-N 1 3 334.386 1.249 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596967 591142281 /nfs/dbraw/zinc/14/22/81/591142281.db2.gz IJAFJEYXAJNLIW-YLJYHZDGSA-N 1 3 342.487 1.669 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642850 591164346 /nfs/dbraw/zinc/16/43/46/591164346.db2.gz AALSZADIGDBCBT-DZJNRPSUSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672433 591178195 /nfs/dbraw/zinc/17/81/95/591178195.db2.gz ANCPRFRHBGSPOO-WFFHOREQSA-N 1 3 334.386 1.248 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000892876374 591212139 /nfs/dbraw/zinc/21/21/39/591212139.db2.gz QSPIKDBQBIRMIJ-UHFFFAOYSA-N 1 3 340.489 1.682 20 0 EDADHO CN1CCN(CCCNc2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000891762373 591215149 /nfs/dbraw/zinc/21/51/49/591215149.db2.gz NAUZTYRKCWZKIW-FQEVSTJZSA-N 1 3 340.471 1.787 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232081 591238568 /nfs/dbraw/zinc/23/85/68/591238568.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 1 3 342.487 1.710 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232081 591238570 /nfs/dbraw/zinc/23/85/70/591238570.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 1 3 342.487 1.710 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000895722470 591261041 /nfs/dbraw/zinc/26/10/41/591261041.db2.gz WNQKHQNMDHCSJX-SFHVURJKSA-N 1 3 348.487 1.990 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000897483682 591489665 /nfs/dbraw/zinc/48/96/65/591489665.db2.gz SNZWSDRQOWNUDZ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000897483682 591489668 /nfs/dbraw/zinc/48/96/68/591489668.db2.gz SNZWSDRQOWNUDZ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000895013020 591522116 /nfs/dbraw/zinc/52/21/16/591522116.db2.gz VXUYASSYRUZVPU-SFHVURJKSA-N 1 3 345.487 1.899 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)Nc1cnn(C)c1 ZINC000899463425 591813092 /nfs/dbraw/zinc/81/30/92/591813092.db2.gz DZZHEEDVMRRYJP-HNNXBMFYSA-N 1 3 338.525 1.465 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)Nc1cnn(C)c1 ZINC000899463425 591813096 /nfs/dbraw/zinc/81/30/96/591813096.db2.gz DZZHEEDVMRRYJP-HNNXBMFYSA-N 1 3 338.525 1.465 20 0 EDADHO CC(C)C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)NCCN(C)C ZINC000902372183 591982056 /nfs/dbraw/zinc/98/20/56/591982056.db2.gz VWNDHQCHVYESRB-CVEARBPZSA-N 1 3 326.529 1.447 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358174 591986253 /nfs/dbraw/zinc/98/62/53/591986253.db2.gz BLIFBPURCHOGKV-LSDHHAIUSA-N 1 3 332.496 1.855 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000900440093 592018935 /nfs/dbraw/zinc/01/89/35/592018935.db2.gz HQXVIDBZBAEFJF-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900530651 592048619 /nfs/dbraw/zinc/04/86/19/592048619.db2.gz YCVMUZPUFLSFCJ-FQEVSTJZSA-N 1 3 347.503 1.944 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)CONC(=N)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810953 592068213 /nfs/dbraw/zinc/06/82/13/592068213.db2.gz FTLPIKGEIGEEED-BYNSBNAKSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810953 592068216 /nfs/dbraw/zinc/06/82/16/592068216.db2.gz FTLPIKGEIGEEED-BYNSBNAKSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810953 592068219 /nfs/dbraw/zinc/06/82/19/592068219.db2.gz FTLPIKGEIGEEED-BYNSBNAKSA-N 1 3 338.452 1.043 20 0 EDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCCN(C)C2)c1 ZINC000900651705 592081295 /nfs/dbraw/zinc/08/12/95/592081295.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCCN(C)C2)c1 ZINC000900651705 592081297 /nfs/dbraw/zinc/08/12/97/592081297.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)C[C@H](CNC(=O)CCN1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684621 592093607 /nfs/dbraw/zinc/09/36/07/592093607.db2.gz SNIJMGNXQVKTQS-QGZVFWFLSA-N 1 3 326.529 1.495 20 0 EDADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903091713 592121499 /nfs/dbraw/zinc/12/14/99/592121499.db2.gz ZBVPWTIPFGEQOY-WOJBJXKFSA-N 1 3 346.471 1.681 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000903432648 592168900 /nfs/dbraw/zinc/16/89/00/592168900.db2.gz IQPBTKVKXRNWNF-JKSUJKDBSA-N 1 3 337.489 1.510 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)C1 ZINC000903441839 592172602 /nfs/dbraw/zinc/17/26/02/592172602.db2.gz CCELIXVVZRMDHD-LSDHHAIUSA-N 1 3 341.459 1.580 20 0 EDADHO Cc1cn2c(nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454173 592173779 /nfs/dbraw/zinc/17/37/79/592173779.db2.gz WIQIDYIMHSNNAD-UONOGXRCSA-N 1 3 332.473 1.886 20 0 EDADHO COC(=O)c1ccccc1CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493743 592186186 /nfs/dbraw/zinc/18/61/86/592186186.db2.gz WEKCCCWBOHPHII-IYOUNJFTSA-N 1 3 332.400 1.186 20 0 EDADHO O=C1CC[C@@H](NCc2cnc3ccccc3c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525989 592198133 /nfs/dbraw/zinc/19/81/33/592198133.db2.gz YPUJYUQKFPYKTQ-QUCCMNQESA-N 1 3 338.455 1.971 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000901025816 592203334 /nfs/dbraw/zinc/20/33/34/592203334.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000901025816 592203335 /nfs/dbraw/zinc/20/33/35/592203335.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 1 3 345.487 1.612 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)c2ccccc2O1 ZINC000901059810 592220006 /nfs/dbraw/zinc/22/00/06/592220006.db2.gz CWPXYHYFJJTFKP-HNAYVOBHSA-N 1 3 347.459 1.189 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)c2ccccc2O1 ZINC000901059810 592220008 /nfs/dbraw/zinc/22/00/08/592220008.db2.gz CWPXYHYFJJTFKP-HNAYVOBHSA-N 1 3 347.459 1.189 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656408 592238199 /nfs/dbraw/zinc/23/81/99/592238199.db2.gz GIZGWWKJAFDMDN-AWEZNQCLSA-N 1 3 332.448 1.178 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656408 592238204 /nfs/dbraw/zinc/23/82/04/592238204.db2.gz GIZGWWKJAFDMDN-AWEZNQCLSA-N 1 3 332.448 1.178 20 0 EDADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371477 592239848 /nfs/dbraw/zinc/23/98/48/592239848.db2.gz OBYMOJYCUYORES-QGZVFWFLSA-N 1 3 327.432 1.899 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371477 592239851 /nfs/dbraw/zinc/23/98/51/592239851.db2.gz OBYMOJYCUYORES-QGZVFWFLSA-N 1 3 327.432 1.899 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCCO4)C2)nn1 ZINC000904371477 592239854 /nfs/dbraw/zinc/23/98/54/592239854.db2.gz OBYMOJYCUYORES-QGZVFWFLSA-N 1 3 327.432 1.899 20 0 EDADHO C[C@@]1(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CCCNC1 ZINC000904366147 592242380 /nfs/dbraw/zinc/24/23/80/592242380.db2.gz FZMQOAALMHGPGP-CQSZACIVSA-N 1 3 339.452 1.230 20 0 EDADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1CN ZINC000906663871 592246021 /nfs/dbraw/zinc/24/60/21/592246021.db2.gz IMZJVCGHOPEMIX-GJZGRUSLSA-N 1 3 330.432 1.169 20 0 EDADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1CN ZINC000906663871 592246025 /nfs/dbraw/zinc/24/60/25/592246025.db2.gz IMZJVCGHOPEMIX-GJZGRUSLSA-N 1 3 330.432 1.169 20 0 EDADHO CC[C@@H](C(=O)NC[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000907979066 592247105 /nfs/dbraw/zinc/24/71/05/592247105.db2.gz DEGJDKILPHLISC-MPGHIAIKSA-N 1 3 340.512 1.022 20 0 EDADHO [NH3+][C@H]1CN(Cc2ccc(N3CCNCC3)o2)CC[C@H]1C(F)(F)F ZINC000904388027 592248737 /nfs/dbraw/zinc/24/87/37/592248737.db2.gz AJYCDYHUBRQJIN-OLZOCXBDSA-N 1 3 332.370 1.401 20 0 EDADHO [O-]c1cc(F)c(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000904434258 592256102 /nfs/dbraw/zinc/25/61/02/592256102.db2.gz UEJWYZPTBXASGF-NSHDSACASA-N 1 3 337.374 1.519 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000904511566 592274841 /nfs/dbraw/zinc/27/48/41/592274841.db2.gz SLTIIIRHHIFQFZ-SJORKVTESA-N 1 3 332.448 1.469 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@]2(C)C1 ZINC000904524313 592278746 /nfs/dbraw/zinc/27/87/46/592278746.db2.gz MQCGQZCGAYLJDV-AYBZRNKSSA-N 1 3 344.459 1.763 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@]2(C)C1 ZINC000904524313 592278749 /nfs/dbraw/zinc/27/87/49/592278749.db2.gz MQCGQZCGAYLJDV-AYBZRNKSSA-N 1 3 344.459 1.763 20 0 EDADHO CN1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296619 /nfs/dbraw/zinc/29/66/19/592296619.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 1 3 331.460 1.395 20 0 EDADHO CN1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296622 /nfs/dbraw/zinc/29/66/22/592296622.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 1 3 331.460 1.395 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095487 592313030 /nfs/dbraw/zinc/31/30/30/592313030.db2.gz WTHGKBCOINLIND-HKUYNNGSSA-N 1 3 349.475 1.261 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095487 592313034 /nfs/dbraw/zinc/31/30/34/592313034.db2.gz WTHGKBCOINLIND-HKUYNNGSSA-N 1 3 349.475 1.261 20 0 EDADHO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820264 592333638 /nfs/dbraw/zinc/33/36/38/592333638.db2.gz YWEYCLFXPRMXBL-INIZCTEOSA-N 1 3 338.423 1.410 20 0 EDADHO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820264 592333642 /nfs/dbraw/zinc/33/36/42/592333642.db2.gz YWEYCLFXPRMXBL-INIZCTEOSA-N 1 3 338.423 1.410 20 0 EDADHO COCCCOC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894797 592366492 /nfs/dbraw/zinc/36/64/92/592366492.db2.gz DXULLYIBVXOZFN-MRXNPFEDSA-N 1 3 338.496 1.363 20 0 EDADHO CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000903913517 592375964 /nfs/dbraw/zinc/37/59/64/592375964.db2.gz DNTBMPHZFXLMJE-DUVNUKRYSA-N 1 3 329.439 1.717 20 0 EDADHO CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000903925023 592379230 /nfs/dbraw/zinc/37/92/30/592379230.db2.gz BPGHSHRSCCNVKS-WOSRLPQWSA-N 1 3 329.439 1.717 20 0 EDADHO Cn1nccc1[C@H]1[C@H](C[N@H+](C)C[C@H](N)CC(F)F)CCCN1C ZINC000903925023 592379235 /nfs/dbraw/zinc/37/92/35/592379235.db2.gz BPGHSHRSCCNVKS-WOSRLPQWSA-N 1 3 329.439 1.717 20 0 EDADHO Cn1nccc1[C@H]1[C@H](C[N@@H+](C)C[C@H](N)CC(F)F)CCCN1C ZINC000903925023 592379238 /nfs/dbraw/zinc/37/92/38/592379238.db2.gz BPGHSHRSCCNVKS-WOSRLPQWSA-N 1 3 329.439 1.717 20 0 EDADHO COc1ccc2c(c1)OC[C@@H](NC[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903925234 592379989 /nfs/dbraw/zinc/37/99/89/592379989.db2.gz CHUOVFNEWCIZNB-PBHICJAKSA-N 1 3 344.459 1.448 20 0 EDADHO Cn1ccc(N2CCC[C@@H](NCc3cccc4c3CC[NH2+]C4)C2=O)n1 ZINC000903926492 592380880 /nfs/dbraw/zinc/38/08/80/592380880.db2.gz SVWQEYFSIGLWQZ-QGZVFWFLSA-N 1 3 339.443 1.351 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098483 592404081 /nfs/dbraw/zinc/40/40/81/592404081.db2.gz SSYSUIKFJISLFR-AABGKKOBSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098483 592404084 /nfs/dbraw/zinc/40/40/84/592404084.db2.gz SSYSUIKFJISLFR-AABGKKOBSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098483 592404086 /nfs/dbraw/zinc/40/40/86/592404086.db2.gz SSYSUIKFJISLFR-AABGKKOBSA-N 1 3 348.487 1.043 20 0 EDADHO CN1CC[C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[C@@H]1c1cccnc1 ZINC000910420500 592860795 /nfs/dbraw/zinc/86/07/95/592860795.db2.gz BZYYNXCCXBDCSV-YTQUADARSA-N 1 3 346.475 1.037 20 0 EDADHO CN1CC[C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[C@@H]1c1cccnc1 ZINC000910420500 592860796 /nfs/dbraw/zinc/86/07/96/592860796.db2.gz BZYYNXCCXBDCSV-YTQUADARSA-N 1 3 346.475 1.037 20 0 EDADHO C[C@@H](NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000911727626 592989598 /nfs/dbraw/zinc/98/95/98/592989598.db2.gz YHOLKJSZQVZZJY-NTZNESFSSA-N 1 3 343.393 1.868 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911779006 593003452 /nfs/dbraw/zinc/00/34/52/593003452.db2.gz XVXCFLGOSAMXOE-CMPLNLGQSA-N 1 3 329.366 1.432 20 0 EDADHO CC1(C)CN[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000818537589 593703894 /nfs/dbraw/zinc/70/38/94/593703894.db2.gz WFSIVDNFYPLUSC-HNNXBMFYSA-N 1 3 331.416 1.532 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819005232 593733626 /nfs/dbraw/zinc/73/36/26/593733626.db2.gz YYFZNCIJTDWDQF-GOEBONIOSA-N 1 3 339.867 1.550 20 0 EDADHO COc1cccc([C@@H](O)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000819062725 593736726 /nfs/dbraw/zinc/73/67/26/593736726.db2.gz SNTWJSYYIROURX-OALUTQOASA-N 1 3 334.460 1.962 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000819220266 593745127 /nfs/dbraw/zinc/74/51/27/593745127.db2.gz KZNOGIQZPWOLPQ-UKRRQHHQSA-N 1 3 327.469 1.502 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819387600 593753128 /nfs/dbraw/zinc/75/31/28/593753128.db2.gz BXTXLADZXPZEKP-INIZCTEOSA-N 1 3 327.419 1.614 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CCCO)CC1 ZINC000820080602 593789364 /nfs/dbraw/zinc/78/93/64/593789364.db2.gz FXTICMUNVQGLFG-INIZCTEOSA-N 1 3 342.528 1.453 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CCCO)CC1 ZINC000820080602 593789365 /nfs/dbraw/zinc/78/93/65/593789365.db2.gz FXTICMUNVQGLFG-INIZCTEOSA-N 1 3 342.528 1.453 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC000820100567 593791172 /nfs/dbraw/zinc/79/11/72/593791172.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 1 3 341.455 1.096 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CN2CCC[C@H]2CO1 ZINC000820100567 593791173 /nfs/dbraw/zinc/79/11/73/593791173.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 1 3 341.455 1.096 20 0 EDADHO COC(=O)[C@@H]1[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869550 593911302 /nfs/dbraw/zinc/91/13/02/593911302.db2.gz WZHSHCSVEQQBCV-CABCVRRESA-N 1 3 346.418 1.618 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)CC1 ZINC000831490789 594641939 /nfs/dbraw/zinc/64/19/39/594641939.db2.gz PFSWUBSRKCGWEA-SFHVURJKSA-N 1 3 334.439 1.857 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000827240896 594655581 /nfs/dbraw/zinc/65/55/81/594655581.db2.gz QGMVTLAXWJMCGF-HKUYNNGSSA-N 1 3 328.460 1.767 20 0 EDADHO CCO[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C[NH+](C)C ZINC000831756754 594699980 /nfs/dbraw/zinc/69/99/80/594699980.db2.gz KYQBQTOFTXVRRB-ROUUACIJSA-N 1 3 348.491 1.377 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018147 594839982 /nfs/dbraw/zinc/83/99/82/594839982.db2.gz PXLWLNDBTFDAIY-QGZVFWFLSA-N 1 3 333.480 1.933 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841018400 594840326 /nfs/dbraw/zinc/84/03/26/594840326.db2.gz VACOCGOEDUHTIB-MRXNPFEDSA-N 1 3 331.464 1.702 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000841924765 594982862 /nfs/dbraw/zinc/98/28/62/594982862.db2.gz COFZCXXAYLVCBR-UHFFFAOYSA-N 1 3 330.476 1.958 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843205900 595034054 /nfs/dbraw/zinc/03/40/54/595034054.db2.gz UIKOTLVJGYEVFW-HNNXBMFYSA-N 1 3 342.447 1.568 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCCC1 ZINC000837766157 595190749 /nfs/dbraw/zinc/19/07/49/595190749.db2.gz AENMJALMTCPFKJ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000844183105 595294922 /nfs/dbraw/zinc/29/49/22/595294922.db2.gz RJNKLWCVGQVYHN-LJQANCHMSA-N 1 3 345.487 1.878 20 0 EDADHO CN(C)CCOc1cc(-c2noc(CC3CC[NH2+]CC3)n2)ccn1 ZINC000843192182 595302337 /nfs/dbraw/zinc/30/23/37/595302337.db2.gz SJCPWFPOTRPTRK-UHFFFAOYSA-N 1 3 331.420 1.614 20 0 EDADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219588 595305222 /nfs/dbraw/zinc/30/52/22/595305222.db2.gz LRSOQJUOBZHXGA-HNNXBMFYSA-N 1 3 332.448 1.132 20 0 EDADHO CN(C)C[C@H]1CC[N@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846807239 595318745 /nfs/dbraw/zinc/31/87/45/595318745.db2.gz DWUZPIDMSVYFKN-QAPCUYQASA-N 1 3 341.496 1.632 20 0 EDADHO CN(C)C[C@H]1CC[N@@H+](C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846807239 595318747 /nfs/dbraw/zinc/31/87/47/595318747.db2.gz DWUZPIDMSVYFKN-QAPCUYQASA-N 1 3 341.496 1.632 20 0 EDADHO COC[C@@H](C)NC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849101646 595482303 /nfs/dbraw/zinc/48/23/03/595482303.db2.gz ZBAADBPVYWOFTD-CQSZACIVSA-N 1 3 326.485 1.559 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105517 595482687 /nfs/dbraw/zinc/48/26/87/595482687.db2.gz RPYVENJDIBPRSN-JTQLQIEISA-N 1 3 328.354 1.502 20 0 EDADHO CC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000849109631 595483335 /nfs/dbraw/zinc/48/33/35/595483335.db2.gz BLWLKAGWPPSVJF-CQSZACIVSA-N 1 3 345.491 1.796 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480963 595546972 /nfs/dbraw/zinc/54/69/72/595546972.db2.gz IKDZCTJVROGNAX-SJORKVTESA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486335 595548328 /nfs/dbraw/zinc/54/83/28/595548328.db2.gz GMVNWYXRAILDIK-ZWKOTPCHSA-N 1 3 347.507 1.444 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852857914 595578928 /nfs/dbraw/zinc/57/89/28/595578928.db2.gz JSBSSIWYUFRHOZ-ZFWWWQNUSA-N 1 3 349.397 1.288 20 0 EDADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852858225 595580154 /nfs/dbraw/zinc/58/01/54/595580154.db2.gz VIKOXXIVMALZPB-MJGOQNOKSA-N 1 3 343.471 1.981 20 0 EDADHO NC[C@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)=NO1 ZINC000852863430 595584107 /nfs/dbraw/zinc/58/41/07/595584107.db2.gz OQYRNCOOXUSYGH-QGZVFWFLSA-N 1 3 344.459 1.782 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852865565 595585986 /nfs/dbraw/zinc/58/59/86/595585986.db2.gz ICORPJNNJFACOP-UHFFFAOYSA-N 1 3 331.460 1.596 20 0 EDADHO C[NH+]1CCC(CN[C@@H]2CCCc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000857868809 595637279 /nfs/dbraw/zinc/63/72/79/595637279.db2.gz CZQJVTPBAWXRNA-MRXNPFEDSA-N 1 3 333.480 1.173 20 0 EDADHO COc1cccc([C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000855346045 595680326 /nfs/dbraw/zinc/68/03/26/595680326.db2.gz MMZLGKJGPJSLDU-YOEHRIQHSA-N 1 3 337.464 1.117 20 0 EDADHO COc1cccc([C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000855346045 595680329 /nfs/dbraw/zinc/68/03/29/595680329.db2.gz MMZLGKJGPJSLDU-YOEHRIQHSA-N 1 3 337.464 1.117 20 0 EDADHO CN(CCCNCc1cn(C)nc1Br)CC[NH+](C)C ZINC000858196097 595727032 /nfs/dbraw/zinc/72/70/32/595727032.db2.gz JGBORRBMQFXYOR-UHFFFAOYSA-N 1 3 332.290 1.156 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936834 /nfs/dbraw/zinc/93/68/34/595936834.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 1 3 341.471 1.257 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936835 /nfs/dbraw/zinc/93/68/35/595936835.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 1 3 341.471 1.257 20 0 EDADHO CC(=O)NCCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856601022 596029843 /nfs/dbraw/zinc/02/98/43/596029843.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 1 3 348.491 1.901 20 0 EDADHO CC(=O)NCCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856601022 596029845 /nfs/dbraw/zinc/02/98/45/596029845.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 1 3 348.491 1.901 20 0 EDADHO CNS(=O)(=O)c1ccc(CCNC2CC[NH+](C(C)C)CC2)cc1 ZINC000866577974 596256359 /nfs/dbraw/zinc/25/63/59/596256359.db2.gz NPNDWDYMOQVUGJ-UHFFFAOYSA-N 1 3 339.505 1.600 20 0 EDADHO C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000866674088 596289151 /nfs/dbraw/zinc/28/91/51/596289151.db2.gz QSBVFJMANNXKID-HZPDHXFCSA-N 1 3 346.475 1.378 20 0 EDADHO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1CN ZINC000866674088 596289154 /nfs/dbraw/zinc/28/91/54/596289154.db2.gz QSBVFJMANNXKID-HZPDHXFCSA-N 1 3 346.475 1.378 20 0 EDADHO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1CN ZINC000866674088 596289156 /nfs/dbraw/zinc/28/91/56/596289156.db2.gz QSBVFJMANNXKID-HZPDHXFCSA-N 1 3 346.475 1.378 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870860660 596379670 /nfs/dbraw/zinc/37/96/70/596379670.db2.gz QRWWYDWWGDUFQR-UHFFFAOYSA-N 1 3 334.489 1.967 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 ZINC000870876577 596386730 /nfs/dbraw/zinc/38/67/30/596386730.db2.gz SKNGWFXMZIOHSK-CALCHBBNSA-N 1 3 345.491 1.227 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090032 596470535 /nfs/dbraw/zinc/47/05/35/596470535.db2.gz VSUGOBKOSQRAML-SJLPKXTDSA-N 1 3 349.523 1.702 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090032 596470536 /nfs/dbraw/zinc/47/05/36/596470536.db2.gz VSUGOBKOSQRAML-SJLPKXTDSA-N 1 3 349.523 1.702 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865508588 596594337 /nfs/dbraw/zinc/59/43/37/596594337.db2.gz PEURZCCOICZURF-PWZRNIHTSA-N 1 3 327.469 1.288 20 0 EDADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863551172 596615116 /nfs/dbraw/zinc/61/51/16/596615116.db2.gz ISMIFAUSNLQHPS-HZPDHXFCSA-N 1 3 341.496 1.822 20 0 EDADHO C[C@]1(CN2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654281 596645218 /nfs/dbraw/zinc/64/52/18/596645218.db2.gz VSGFMXZOZGDSBD-RGHULWKBSA-N 1 3 345.409 1.717 20 0 EDADHO CC(=O)C(C)(C)CCC(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000870020344 596711574 /nfs/dbraw/zinc/71/15/74/596711574.db2.gz MXVMUUFKGCTZDY-HZPDHXFCSA-N 1 3 325.497 1.580 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868229928 596736786 /nfs/dbraw/zinc/73/67/86/596736786.db2.gz UMYKLPLRYLWIJE-JKSUJKDBSA-N 1 3 332.448 1.288 20 0 EDADHO CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242150 596741834 /nfs/dbraw/zinc/74/18/34/596741834.db2.gz DFILLRSBJDYGRR-XOKHGSTOSA-N 1 3 346.475 1.676 20 0 EDADHO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000872057769 596800069 /nfs/dbraw/zinc/80/00/69/596800069.db2.gz ICVPDYUYUWJNRL-IKGGRYGDSA-N 1 3 327.513 1.874 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142761 596808827 /nfs/dbraw/zinc/80/88/27/596808827.db2.gz CNLGHIKEAKPNIZ-ATIWLJMLSA-N 1 3 335.492 1.524 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868381875 596813769 /nfs/dbraw/zinc/81/37/69/596813769.db2.gz XIHDPIXYPBWVFN-SFHVURJKSA-N 1 3 340.512 1.009 20 0 EDADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000872186869 596825980 /nfs/dbraw/zinc/82/59/80/596825980.db2.gz APUXISNFFJUBAO-MRXNPFEDSA-N 1 3 338.496 1.051 20 0 EDADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872231318 596847282 /nfs/dbraw/zinc/84/72/82/596847282.db2.gz ILCNDMOMIFDVDC-ZNMIVQPWSA-N 1 3 327.469 1.336 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000875970881 597051996 /nfs/dbraw/zinc/05/19/96/597051996.db2.gz IDRABBBZMUTWLF-HZPDHXFCSA-N 1 3 339.484 1.209 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000875970881 597052001 /nfs/dbraw/zinc/05/20/01/597052001.db2.gz IDRABBBZMUTWLF-HZPDHXFCSA-N 1 3 339.484 1.209 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000876144452 597110671 /nfs/dbraw/zinc/11/06/71/597110671.db2.gz DPWXCYWAAFZCRY-INIZCTEOSA-N 1 3 340.512 1.328 20 0 EDADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC1(N2CCOCC2)CCCC1 ZINC000874838218 597192601 /nfs/dbraw/zinc/19/26/01/597192601.db2.gz OHXXMFPNZBPBFA-SJORKVTESA-N 1 3 335.492 1.717 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000874974551 597226973 /nfs/dbraw/zinc/22/69/73/597226973.db2.gz STKADCQSQSAVBS-UHFFFAOYSA-N 1 3 340.512 1.071 20 0 EDADHO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213547 597229766 /nfs/dbraw/zinc/22/97/66/597229766.db2.gz HKLXENNWRKPTPH-AWEZNQCLSA-N 1 3 347.406 1.894 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@@H]2CCC[C@H]21 ZINC000873245342 597237755 /nfs/dbraw/zinc/23/77/55/597237755.db2.gz ZFHLTVZCUYETCF-GBESFXJTSA-N 1 3 340.475 1.688 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875134608 597296613 /nfs/dbraw/zinc/29/66/13/597296613.db2.gz YATBCQIUUBRYSM-CEXWTWQISA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875134608 597296616 /nfs/dbraw/zinc/29/66/16/597296616.db2.gz YATBCQIUUBRYSM-CEXWTWQISA-N 1 3 344.503 1.895 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)c1c(CN)cnn1C)Cc1ccccc1 ZINC000876722472 597305643 /nfs/dbraw/zinc/30/56/43/597305643.db2.gz VWLLCGNQCGREOW-QGZVFWFLSA-N 1 3 343.475 1.562 20 0 EDADHO Cn1ncc(CN)c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752264 597321716 /nfs/dbraw/zinc/32/17/16/597321716.db2.gz KJQNKJXAEZAVLX-OAHLLOKOSA-N 1 3 333.480 1.607 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000876781425 597338702 /nfs/dbraw/zinc/33/87/02/597338702.db2.gz LIBKFYMTCHNTDM-IIAWOOMASA-N 1 3 331.464 1.471 20 0 EDADHO CCOC(=O)N1CCC(C)(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000876966126 597400910 /nfs/dbraw/zinc/40/09/10/597400910.db2.gz NONYFMWDNJPEGA-OAHLLOKOSA-N 1 3 327.469 1.291 20 0 EDADHO NC1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000877372057 597503862 /nfs/dbraw/zinc/50/38/62/597503862.db2.gz YKMZHZXWZLAEBT-STQMWFEESA-N 1 3 327.350 1.078 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000877374362 597504110 /nfs/dbraw/zinc/50/41/10/597504110.db2.gz HGAXQFLJHRAIPJ-FXAWDEMLSA-N 1 3 342.487 1.510 20 0 EDADHO Cn1ncc2cc(CN3CCC(C[NH+]4CCN(C)CC4)CC3)cnc21 ZINC000877525085 597530829 /nfs/dbraw/zinc/53/08/29/597530829.db2.gz QALLDVRKNXVMBF-UHFFFAOYSA-N 1 3 342.491 1.428 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879591826 597648115 /nfs/dbraw/zinc/64/81/15/597648115.db2.gz UKZFFWSYAUDSLU-LJQANCHMSA-N 1 3 347.503 1.447 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664157 597990857 /nfs/dbraw/zinc/99/08/57/597990857.db2.gz MPIDGNOPYOSKJG-ZQIUZPCESA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C ZINC000880664157 597990859 /nfs/dbraw/zinc/99/08/59/597990859.db2.gz MPIDGNOPYOSKJG-ZQIUZPCESA-N 1 3 335.496 1.464 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914115846 695121772 /nfs/dbraw/zinc/12/17/72/695121772.db2.gz HIMLABPHTFETHM-CVEARBPZSA-N 1 3 329.510 1.076 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914115846 695121774 /nfs/dbraw/zinc/12/17/74/695121774.db2.gz HIMLABPHTFETHM-CVEARBPZSA-N 1 3 329.510 1.076 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1)N1CCCCC1 ZINC000992691007 695208071 /nfs/dbraw/zinc/20/80/71/695208071.db2.gz MSRHSUWZMMEJBE-ULQDDVLXSA-N 1 3 337.508 1.460 20 0 EDADHO C[N@H+](CCC(=O)N1CCNCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262120591 695322475 /nfs/dbraw/zinc/32/24/75/695322475.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 1 3 344.503 1.405 20 0 EDADHO C[N@@H+](CCC(=O)N1CCNCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262120591 695322481 /nfs/dbraw/zinc/32/24/81/695322481.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 1 3 344.503 1.405 20 0 EDADHO CN1CC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000925413418 695567294 /nfs/dbraw/zinc/56/72/94/695567294.db2.gz GUUOCXSKEFNIEU-KRWDZBQOSA-N 1 3 338.496 1.225 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCOC)c(C)c2)CC1 ZINC000324430540 695919433 /nfs/dbraw/zinc/91/94/33/695919433.db2.gz PZJVSABTHZYUQK-MRXNPFEDSA-N 1 3 334.464 1.439 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008516 700110334 /nfs/dbraw/zinc/11/03/34/700110334.db2.gz QOHCQRBJAYFJNI-INIZCTEOSA-N 1 3 334.464 1.856 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921424715 697602824 /nfs/dbraw/zinc/60/28/24/697602824.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 1 3 338.496 1.268 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921424715 697602826 /nfs/dbraw/zinc/60/28/26/697602826.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 1 3 338.496 1.268 20 0 EDADHO CC(C)(C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1)[NH+]1CCCC1 ZINC000941512373 701565675 /nfs/dbraw/zinc/56/56/75/701565675.db2.gz DKIVHLVVMPOJSD-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939138225 699229027 /nfs/dbraw/zinc/22/90/27/699229027.db2.gz UQZSBBPTEQHUGL-ZFWWWQNUSA-N 1 3 336.505 1.812 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1)[NH+](C)C ZINC000941551568 701578209 /nfs/dbraw/zinc/57/82/09/701578209.db2.gz ATJWUHLIWOHHHF-GOSISDBHSA-N 1 3 336.524 1.201 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1ccccn1 ZINC000939259421 699437122 /nfs/dbraw/zinc/43/71/22/699437122.db2.gz UOVQKXDROLYYHS-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939398649 699547827 /nfs/dbraw/zinc/54/78/27/699547827.db2.gz PPYCNBVDJOOFBB-MAUKXSAKSA-N 1 3 348.466 1.889 20 0 EDADHO O=C(CN1CCCC1)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941669445 701623395 /nfs/dbraw/zinc/62/33/95/701623395.db2.gz ZLDWKBACWSHZKZ-UHFFFAOYSA-N 1 3 334.508 1.101 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CCC1 ZINC000940148648 700281773 /nfs/dbraw/zinc/28/17/73/700281773.db2.gz CADNTRXMFOGZDS-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC000940176990 700310100 /nfs/dbraw/zinc/31/01/00/700310100.db2.gz UHKFQCXXLVWZKC-JKSUJKDBSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1)[NH+](C)C ZINC000940307613 700489590 /nfs/dbraw/zinc/48/95/90/700489590.db2.gz UWSRYEOIGWQENN-MRXNPFEDSA-N 1 3 335.496 1.477 20 0 EDADHO CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000940917973 700995451 /nfs/dbraw/zinc/99/54/51/700995451.db2.gz HDTHJMTZJVBSPF-SJORKVTESA-N 1 3 337.508 1.460 20 0 EDADHO CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000940917973 700995453 /nfs/dbraw/zinc/99/54/53/700995453.db2.gz HDTHJMTZJVBSPF-SJORKVTESA-N 1 3 337.508 1.460 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001031919051 701041136 /nfs/dbraw/zinc/04/11/36/701041136.db2.gz LTJOQKSGBLDKRN-QZTJIDSGSA-N 1 3 337.508 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001031919051 701041138 /nfs/dbraw/zinc/04/11/38/701041138.db2.gz LTJOQKSGBLDKRN-QZTJIDSGSA-N 1 3 337.508 1.726 20 0 EDADHO CCc1ccccc1CN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130651 701845742 /nfs/dbraw/zinc/84/57/42/701845742.db2.gz XLPCYLLGLZICGU-UHFFFAOYSA-N 1 3 327.472 1.893 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206526 702150492 /nfs/dbraw/zinc/15/04/92/702150492.db2.gz CNHUWQWQMYQMOT-QAPCUYQASA-N 1 3 345.487 1.977 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1C[C@H](NCc2ccns2)C(C)(C)C1)C1CC1 ZINC000995900575 702206237 /nfs/dbraw/zinc/20/62/37/702206237.db2.gz YNAMYHHJGJHCFH-GJZGRUSLSA-N 1 3 336.505 1.810 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886856 702223611 /nfs/dbraw/zinc/22/36/11/702223611.db2.gz ODLYIVHUGGOCAV-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886856 702223618 /nfs/dbraw/zinc/22/36/18/702223618.db2.gz ODLYIVHUGGOCAV-IRXDYDNUSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1CN(CCc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170390 702413362 /nfs/dbraw/zinc/41/33/62/702413362.db2.gz SNDAACBGWIILEM-HOCLYGCPSA-N 1 3 348.516 1.608 20 0 EDADHO C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054209 702500356 /nfs/dbraw/zinc/50/03/56/702500356.db2.gz WODKHJSVPVGAGY-CVEARBPZSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054209 702500361 /nfs/dbraw/zinc/50/03/61/702500361.db2.gz WODKHJSVPVGAGY-CVEARBPZSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301461 702693364 /nfs/dbraw/zinc/69/33/64/702693364.db2.gz TWIDTFDLBQUVJN-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996674356 702969731 /nfs/dbraw/zinc/96/97/31/702969731.db2.gz CASPDFPMUZJKPI-OAHLLOKOSA-N 1 3 337.493 1.267 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672901 702973698 /nfs/dbraw/zinc/97/36/98/702973698.db2.gz QGFAYUPNQHRVCQ-BEFAXECRSA-N 1 3 335.492 1.478 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996677443 702976473 /nfs/dbraw/zinc/97/64/73/702976473.db2.gz JQUKGHACCAUJNI-KRWDZBQOSA-N 1 3 334.464 1.658 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1)N(C)C ZINC000996711831 703006342 /nfs/dbraw/zinc/00/63/42/703006342.db2.gz LIUKZXNIENMNSA-GOSISDBHSA-N 1 3 347.507 1.640 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccnc(N(C)C)c2)CC1)N(C)C ZINC000996716257 703014705 /nfs/dbraw/zinc/01/47/05/703014705.db2.gz IWZURPRVJYAIPT-QGZVFWFLSA-N 1 3 347.507 1.568 20 0 EDADHO Cc1ncccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996995775 703252858 /nfs/dbraw/zinc/25/28/58/703252858.db2.gz QSRIOSSIPLTSHU-HNNXBMFYSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000996997774 703254479 /nfs/dbraw/zinc/25/44/79/703254479.db2.gz GOTXSCZRNRTAJG-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997011578 703271592 /nfs/dbraw/zinc/27/15/92/703271592.db2.gz XDQCOXCXEIHANJ-BBRMVZONSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997011578 703271593 /nfs/dbraw/zinc/27/15/93/703271593.db2.gz XDQCOXCXEIHANJ-BBRMVZONSA-N 1 3 331.464 1.063 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997043540 703296101 /nfs/dbraw/zinc/29/61/01/703296101.db2.gz ZIHMNMWUMOJNFI-UHFFFAOYSA-N 1 3 328.416 1.742 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997060763 703305779 /nfs/dbraw/zinc/30/57/79/703305779.db2.gz JMJXNOHJDNUKTA-KRWDZBQOSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997060763 703305780 /nfs/dbraw/zinc/30/57/80/703305780.db2.gz JMJXNOHJDNUKTA-KRWDZBQOSA-N 1 3 347.507 1.764 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC1 ZINC000997114496 703364852 /nfs/dbraw/zinc/36/48/52/703364852.db2.gz DBUOSMXYOFXOBN-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997307097 703565593 /nfs/dbraw/zinc/56/55/93/703565593.db2.gz OTMMMYREWYTUKD-GOSISDBHSA-N 1 3 337.508 1.604 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nn1C ZINC000997359257 703589766 /nfs/dbraw/zinc/58/97/66/703589766.db2.gz HJNAMIJGTMPMOB-HUUCEWRRSA-N 1 3 347.507 1.682 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997364265 703597728 /nfs/dbraw/zinc/59/77/28/703597728.db2.gz JSTOVXFIWKPZFI-UHFFFAOYSA-N 1 3 333.480 1.377 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1CCC(NCc2cnns2)CC1 ZINC000997368691 703607503 /nfs/dbraw/zinc/60/75/03/703607503.db2.gz SQJDUUKQQBJOPT-UHFFFAOYSA-N 1 3 337.493 1.495 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606499 703899901 /nfs/dbraw/zinc/89/99/01/703899901.db2.gz LQQDSEFSJBVFPN-QGZVFWFLSA-N 1 3 334.439 1.643 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)sn1 ZINC000997613808 703913263 /nfs/dbraw/zinc/91/32/63/703913263.db2.gz PYHSGYWKNMMXAS-MRXNPFEDSA-N 1 3 336.505 1.874 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC001032557682 704739166 /nfs/dbraw/zinc/73/91/66/704739166.db2.gz PCXJNQRDTZYFON-ULQDDVLXSA-N 1 3 335.492 1.573 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930673 705036522 /nfs/dbraw/zinc/03/65/22/705036522.db2.gz OJAFGUPUPCDXTK-FDYSRKEFSA-N 1 3 347.503 1.478 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)N(C)C ZINC000998087558 705320366 /nfs/dbraw/zinc/32/03/66/705320366.db2.gz YGYNFAUTLDKEHO-KRWDZBQOSA-N 1 3 336.455 1.889 20 0 EDADHO Cc1ncsc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998115208 705366296 /nfs/dbraw/zinc/36/62/96/705366296.db2.gz NNFLUUIIBHTXQX-UHFFFAOYSA-N 1 3 333.461 1.746 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000998267995 705639403 /nfs/dbraw/zinc/63/94/03/705639403.db2.gz CAYPCHXTLFOQBZ-UHFFFAOYSA-N 1 3 331.464 1.209 20 0 EDADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000998268559 705644403 /nfs/dbraw/zinc/64/44/03/705644403.db2.gz HJHBVBBHZQEEBC-MJGOQNOKSA-N 1 3 335.492 1.337 20 0 EDADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c(C)n1 ZINC000998547863 705982711 /nfs/dbraw/zinc/98/27/11/705982711.db2.gz BICDZNUIKKAPGD-ABHNRTSZSA-N 1 3 330.476 1.872 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146080 706560157 /nfs/dbraw/zinc/56/01/57/706560157.db2.gz UWKWGBGMXMIHDU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568776 /nfs/dbraw/zinc/56/87/76/706568776.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 1 3 345.491 1.148 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568779 /nfs/dbraw/zinc/56/87/79/706568779.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 1 3 345.491 1.148 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)C1CC1 ZINC000999368904 706882217 /nfs/dbraw/zinc/88/22/17/706882217.db2.gz HOHHEYFTEZBVCB-QZTJIDSGSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000999399575 706894375 /nfs/dbraw/zinc/89/43/75/706894375.db2.gz ILYZLTPXHNYWRJ-HUUCEWRRSA-N 1 3 334.468 1.068 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000999399575 706894376 /nfs/dbraw/zinc/89/43/76/706894376.db2.gz ILYZLTPXHNYWRJ-HUUCEWRRSA-N 1 3 334.468 1.068 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999405288 706914300 /nfs/dbraw/zinc/91/43/00/706914300.db2.gz FKTHNNULDZFDOX-IUDNXUCKSA-N 1 3 348.495 1.170 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999405288 706914302 /nfs/dbraw/zinc/91/43/02/706914302.db2.gz FKTHNNULDZFDOX-IUDNXUCKSA-N 1 3 348.495 1.170 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999407909 706917461 /nfs/dbraw/zinc/91/74/61/706917461.db2.gz XUKLFBULIAIPSE-NVPAJSRCSA-N 1 3 333.480 1.292 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC[C@@H]3CCCO3)C2)CC1 ZINC000999598182 707100840 /nfs/dbraw/zinc/10/08/40/707100840.db2.gz KLNQJLHWHQBEBF-ABHNRTSZSA-N 1 3 337.508 1.866 20 0 EDADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)C1 ZINC000946776272 707206465 /nfs/dbraw/zinc/20/64/65/707206465.db2.gz JOXOWCNXJSSDLU-IYBDPMFKSA-N 1 3 325.472 1.858 20 0 EDADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)C1 ZINC000946776272 707206469 /nfs/dbraw/zinc/20/64/69/707206469.db2.gz JOXOWCNXJSSDLU-IYBDPMFKSA-N 1 3 325.472 1.858 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832651 707463720 /nfs/dbraw/zinc/46/37/20/707463720.db2.gz GGYSHXVZPMMVAD-UHFFFAOYSA-N 1 3 344.503 1.927 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC)C2)nn1 ZINC000999985811 707656661 /nfs/dbraw/zinc/65/66/61/707656661.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 1 3 348.495 1.426 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999985811 707656664 /nfs/dbraw/zinc/65/66/64/707656664.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 1 3 348.495 1.426 20 0 EDADHO C[C@H](O)CN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423997 707840654 /nfs/dbraw/zinc/84/06/54/707840654.db2.gz WHAIMIJWQXRALX-MAUKXSAKSA-N 1 3 333.476 1.318 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2CCN(CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128139 708644718 /nfs/dbraw/zinc/64/47/18/708644718.db2.gz VXOAUZSWYRSPGL-LSDHHAIUSA-N 1 3 345.434 1.191 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2CCN(CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128139 708644721 /nfs/dbraw/zinc/64/47/21/708644721.db2.gz VXOAUZSWYRSPGL-LSDHHAIUSA-N 1 3 345.434 1.191 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033833775 708860179 /nfs/dbraw/zinc/86/01/79/708860179.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 1 3 337.508 1.819 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033833775 708860181 /nfs/dbraw/zinc/86/01/81/708860181.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 1 3 337.508 1.819 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOC)C2 ZINC001040544827 709085531 /nfs/dbraw/zinc/08/55/31/709085531.db2.gz KMZZPCHHYLSJBL-PKOBYXMFSA-N 1 3 337.508 1.822 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCOC)C2 ZINC001040544827 709085533 /nfs/dbraw/zinc/08/55/33/709085533.db2.gz KMZZPCHHYLSJBL-PKOBYXMFSA-N 1 3 337.508 1.822 20 0 EDADHO C[C@@]12CN(C(=O)[C@@H](N)CC(F)F)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702126426 709337144 /nfs/dbraw/zinc/33/71/44/709337144.db2.gz OXSQURKSNAXKAO-RLFYNMQTSA-N 1 3 337.414 1.949 20 0 EDADHO C[C@@]12CN(C(=O)[C@@H](N)CC(F)F)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702126426 709337148 /nfs/dbraw/zinc/33/71/48/709337148.db2.gz OXSQURKSNAXKAO-RLFYNMQTSA-N 1 3 337.414 1.949 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289563 709713303 /nfs/dbraw/zinc/71/33/03/709713303.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289563 709713306 /nfs/dbraw/zinc/71/33/06/709713306.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003627542 710457463 /nfs/dbraw/zinc/45/74/63/710457463.db2.gz GJDQKUYKVQQKNY-DOTOQJQBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634393 710462008 /nfs/dbraw/zinc/46/20/08/710462008.db2.gz KAYDEDXOICFHKQ-HNAYVOBHSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634393 710462009 /nfs/dbraw/zinc/46/20/09/710462009.db2.gz KAYDEDXOICFHKQ-HNAYVOBHSA-N 1 3 345.487 1.457 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001003737130 710518626 /nfs/dbraw/zinc/51/86/26/710518626.db2.gz GMYNDMHRWCROBQ-WBVHZDCISA-N 1 3 325.497 1.865 20 0 EDADHO Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001034704270 710814301 /nfs/dbraw/zinc/81/43/01/710814301.db2.gz NWLHBWSHSFXYKV-SHTZXODSSA-N 1 3 348.495 1.207 20 0 EDADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC001034733783 710914427 /nfs/dbraw/zinc/91/44/27/710914427.db2.gz CTFFCPBJDNSJGO-YYIAUSFCSA-N 1 3 345.491 1.896 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738824 710931713 /nfs/dbraw/zinc/93/17/13/710931713.db2.gz VQQQFOWWMIQCDH-TUUVXOQKSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738824 710931717 /nfs/dbraw/zinc/93/17/17/710931717.db2.gz VQQQFOWWMIQCDH-TUUVXOQKSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001034777426 711056789 /nfs/dbraw/zinc/05/67/89/711056789.db2.gz KDLNMZAXTZROAL-QEJZJMRPSA-N 1 3 346.479 1.287 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387766 711428145 /nfs/dbraw/zinc/42/81/45/711428145.db2.gz MWHLYIPLUNKXBG-OWYHZJEWSA-N 1 3 328.460 1.904 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387766 711428149 /nfs/dbraw/zinc/42/81/49/711428149.db2.gz MWHLYIPLUNKXBG-OWYHZJEWSA-N 1 3 328.460 1.904 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1)C1CCC1 ZINC001034957819 711430581 /nfs/dbraw/zinc/43/05/81/711430581.db2.gz KKEKKISMZPYVJI-SJORKVTESA-N 1 3 337.508 1.866 20 0 EDADHO Cn1cc(CNC[C@H]2CCCN2C(=O)C(C)(C)[NH+]2CCCCC2)cn1 ZINC001034937212 711437946 /nfs/dbraw/zinc/43/79/46/711437946.db2.gz HXCOWKAEIIMSMJ-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000173920249 282115206 /nfs/dbraw/zinc/11/52/06/282115206.db2.gz DISZHDCRWMGZIR-HNNXBMFYSA-N 1 3 334.468 1.537 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000174622384 231259573 /nfs/dbraw/zinc/25/95/73/231259573.db2.gz CMUUGOOTBRPHLF-DOTOQJQBSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000560498170 306271878 /nfs/dbraw/zinc/27/18/78/306271878.db2.gz OEXNTZZGFZXTMJ-SJLPKXTDSA-N 1 3 339.524 1.991 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000342973393 539767629 /nfs/dbraw/zinc/76/76/29/539767629.db2.gz AVFJSZTXLKPTKY-JYJNAYRXSA-N 1 3 340.512 1.212 20 0 EDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316096 539922784 /nfs/dbraw/zinc/92/27/84/539922784.db2.gz QJFNFWLLWYLVQT-BRWVUGGUSA-N 1 3 325.522 1.411 20 0 EDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316096 539922786 /nfs/dbraw/zinc/92/27/86/539922786.db2.gz QJFNFWLLWYLVQT-BRWVUGGUSA-N 1 3 325.522 1.411 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353521346 539934290 /nfs/dbraw/zinc/93/42/90/539934290.db2.gz RFOVPBMDFIQMDK-KZNAEPCWSA-N 1 3 336.524 1.392 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000563272145 306325811 /nfs/dbraw/zinc/32/58/11/306325811.db2.gz LAIVFHXKQRSYRW-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000377082375 291062872 /nfs/dbraw/zinc/06/28/72/291062872.db2.gz NDEBVHBVUVCDHU-JENIJYKNSA-N 1 3 336.524 1.645 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000360170767 283165998 /nfs/dbraw/zinc/16/59/98/283165998.db2.gz KQTPACCJIWJSQD-INIZCTEOSA-N 1 3 340.512 1.215 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000360170767 283166000 /nfs/dbraw/zinc/16/60/00/283166000.db2.gz KQTPACCJIWJSQD-INIZCTEOSA-N 1 3 340.512 1.215 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580476 306339656 /nfs/dbraw/zinc/33/96/56/306339656.db2.gz IXNNISIBRMANSK-PVAVHDDUSA-N 1 3 332.448 1.191 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316485 /nfs/dbraw/zinc/31/64/85/138316485.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 1 3 348.491 1.384 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316486 /nfs/dbraw/zinc/31/64/86/138316486.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 1 3 348.491 1.384 20 0 EDADHO Cc1c(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnn1C ZINC000122219403 138318073 /nfs/dbraw/zinc/31/80/73/138318073.db2.gz XPHRIQUKRAXMIE-UHFFFAOYSA-N 1 3 347.507 1.336 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209345 306357129 /nfs/dbraw/zinc/35/71/29/306357129.db2.gz NRTQLBMDXICSEU-ZSZQSSIHSA-N 1 3 345.443 1.640 20 0 EDADHO CCC[NH2+]CCNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000418474950 283386021 /nfs/dbraw/zinc/38/60/21/283386021.db2.gz PGHRUEHEXKLTGV-IRXDYDNUSA-N 1 3 333.480 1.715 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@@H](C)O3)CC2)CC1 ZINC000565210332 306378646 /nfs/dbraw/zinc/37/86/46/306378646.db2.gz WJCVJXONXBUGJZ-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262223303 296024031 /nfs/dbraw/zinc/02/40/31/296024031.db2.gz FVQIEZDKMVOOAH-CJNGLKHVSA-N 1 3 325.478 1.639 20 0 EDADHO Cc1c(C(=O)N(CCN(C)C)CC(C)C)nnn1C1CC[NH2+]CC1 ZINC000565301775 306381260 /nfs/dbraw/zinc/38/12/60/306381260.db2.gz NXDWILNBRISACI-UHFFFAOYSA-N 1 3 336.484 1.171 20 0 EDADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067057 304099503 /nfs/dbraw/zinc/09/95/03/304099503.db2.gz HPJYMJXMUXTWCM-MRXNPFEDSA-N 1 3 328.464 1.678 20 0 EDADHO COc1ccc(C[C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000414113470 304100602 /nfs/dbraw/zinc/10/06/02/304100602.db2.gz KQFGNOPVMKTAEV-HOCLYGCPSA-N 1 3 334.464 1.198 20 0 EDADHO COc1ccc(C[C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000414113470 304100604 /nfs/dbraw/zinc/10/06/04/304100604.db2.gz KQFGNOPVMKTAEV-HOCLYGCPSA-N 1 3 334.464 1.198 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@]1(C)CCCO1 ZINC000414195388 304105406 /nfs/dbraw/zinc/10/54/06/304105406.db2.gz OAMCOTOBZBXNKW-SJORKVTESA-N 1 3 325.497 1.330 20 0 EDADHO CC(C)N1CCO[C@@H](CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702205 304129800 /nfs/dbraw/zinc/12/98/00/304129800.db2.gz UVOXDDFRVWLNED-QRVBRYPASA-N 1 3 338.540 1.101 20 0 EDADHO CCOC(=O)c1nnc(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)[n-]1 ZINC000414755648 304137002 /nfs/dbraw/zinc/13/70/02/304137002.db2.gz IBGRXBPDIKQPCG-QWHCGFSZSA-N 1 3 335.452 1.549 20 0 EDADHO CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414755648 304137003 /nfs/dbraw/zinc/13/70/03/304137003.db2.gz IBGRXBPDIKQPCG-QWHCGFSZSA-N 1 3 335.452 1.549 20 0 EDADHO COCCOc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414795995 304141757 /nfs/dbraw/zinc/14/17/57/304141757.db2.gz WXWCPWGEJUAAMO-QGZVFWFLSA-N 1 3 334.460 1.899 20 0 EDADHO CCOC1CC(CN[C@@H](C)C[C@@H]2CCC[NH2+]2)(N2CCOCC2)C1 ZINC000415105157 304160596 /nfs/dbraw/zinc/16/05/96/304160596.db2.gz MEFMQMCKZLYIKF-VYMRPNJYSA-N 1 3 325.497 1.377 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000415143217 304164040 /nfs/dbraw/zinc/16/40/40/304164040.db2.gz SGQPVAONKSQUAV-GOEBONIOSA-N 1 3 334.439 1.191 20 0 EDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CNC[C@@H]2CCCO2)c1 ZINC000236663394 139028050 /nfs/dbraw/zinc/02/80/50/139028050.db2.gz KZHHZVHUGOUDPR-SFHVURJKSA-N 1 3 333.476 1.912 20 0 EDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CNC[C@@H]2CCCO2)c1 ZINC000236663394 139028051 /nfs/dbraw/zinc/02/80/51/139028051.db2.gz KZHHZVHUGOUDPR-SFHVURJKSA-N 1 3 333.476 1.912 20 0 EDADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000236984819 139037237 /nfs/dbraw/zinc/03/72/37/139037237.db2.gz HCPLYCYNPIFTBH-CXAGYDPISA-N 1 3 337.464 1.625 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237215490 139044644 /nfs/dbraw/zinc/04/46/44/139044644.db2.gz NDFUXLZRGHJWJW-FQEVSTJZSA-N 1 3 344.503 1.582 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(CN2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196290 /nfs/dbraw/zinc/19/62/90/296196290.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(CN2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196292 /nfs/dbraw/zinc/19/62/92/296196292.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196293 /nfs/dbraw/zinc/19/62/93/296196293.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196294 /nfs/dbraw/zinc/19/62/94/296196294.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 1 3 340.508 1.474 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000415232771 304177281 /nfs/dbraw/zinc/17/72/81/304177281.db2.gz QZTUEJHGMCLRSR-YOEHRIQHSA-N 1 3 344.459 1.430 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NC1CCN(Cc2ccccc2)CC1 ZINC000238050142 139067641 /nfs/dbraw/zinc/06/76/41/139067641.db2.gz DKHXTTFRZLLDQH-QGZVFWFLSA-N 1 3 333.501 1.862 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCN2CCCO)CCCCC1 ZINC000452376072 305394965 /nfs/dbraw/zinc/39/49/65/305394965.db2.gz YQMNDLZTBVKTOO-INIZCTEOSA-N 1 3 325.497 1.462 20 0 EDADHO O=C1CNC(=O)N1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245645624 139081970 /nfs/dbraw/zinc/08/19/70/139081970.db2.gz BMBXQLYSMJPSJS-OSYLJGHBSA-N 1 3 342.443 1.323 20 0 EDADHO O=C1CNC(=O)N1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645624 139081971 /nfs/dbraw/zinc/08/19/71/139081971.db2.gz BMBXQLYSMJPSJS-OSYLJGHBSA-N 1 3 342.443 1.323 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1 ZINC000415290262 304186827 /nfs/dbraw/zinc/18/68/27/304186827.db2.gz CXPFRNUUDMINPZ-MRXNPFEDSA-N 1 3 332.448 1.286 20 0 EDADHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183363 139139590 /nfs/dbraw/zinc/13/95/90/139139590.db2.gz VHUNRLNWQFZXOM-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183363 139139591 /nfs/dbraw/zinc/13/95/91/139139591.db2.gz VHUNRLNWQFZXOM-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183363 139139592 /nfs/dbraw/zinc/13/95/92/139139592.db2.gz VHUNRLNWQFZXOM-WMZOPIPTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065321 139157983 /nfs/dbraw/zinc/15/79/83/139157983.db2.gz ZIRVXOWVMKWEKH-MOPGFXCFSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CN1Cc1ccccc1 ZINC000261613960 139211058 /nfs/dbraw/zinc/21/10/58/139211058.db2.gz BOCWOFGZJSXNKB-FHLIZLRMSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@@H]([NH3+])CC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000261866479 139232670 /nfs/dbraw/zinc/23/26/70/139232670.db2.gz QEZCWUNOPDICEX-GFCCVEGCSA-N 1 3 333.436 1.578 20 0 EDADHO CN1CCC(CCO)(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416188493 251055442 /nfs/dbraw/zinc/05/54/42/251055442.db2.gz ISYVUUSZONDGOX-QGZVFWFLSA-N 1 3 333.476 1.642 20 0 EDADHO C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262316378 139269443 /nfs/dbraw/zinc/26/94/43/139269443.db2.gz QXNCAVZPUHGZGC-KRWDZBQOSA-N 1 3 345.487 1.865 20 0 EDADHO CC[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417005555 251126848 /nfs/dbraw/zinc/12/68/48/251126848.db2.gz DMWNTFZDQJPQKX-ZTFGCOKTSA-N 1 3 330.476 1.812 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417543659 251184576 /nfs/dbraw/zinc/18/45/76/251184576.db2.gz GBUWLSLMSGKYNP-ZIAGYGMSSA-N 1 3 326.485 1.255 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417549993 251187054 /nfs/dbraw/zinc/18/70/54/251187054.db2.gz KJZLRBQKHRAQJJ-HNNXBMFYSA-N 1 3 348.491 1.298 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C2(COC)CC[NH2+]CC2)N(C)C)cc1 ZINC000262417014 139277723 /nfs/dbraw/zinc/27/77/23/139277723.db2.gz UFEUTUBGMASBJV-GOSISDBHSA-N 1 3 347.503 1.984 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000417718705 251241164 /nfs/dbraw/zinc/24/11/64/251241164.db2.gz WERDMSCPIYJCEP-DOTOQJQBSA-N 1 3 334.464 1.269 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417742649 251252294 /nfs/dbraw/zinc/25/22/94/251252294.db2.gz WHXUDADDBCHMCR-ROUUACIJSA-N 1 3 342.487 1.337 20 0 EDADHO C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000417749737 251253806 /nfs/dbraw/zinc/25/38/06/251253806.db2.gz JNKHWWXMTOEFSA-DOTOQJQBSA-N 1 3 339.528 1.077 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417814093 251280080 /nfs/dbraw/zinc/28/00/80/251280080.db2.gz RPJDKWHIUUIAAN-CVEARBPZSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CN1Cc1ccccc1 ZINC000417886784 251314422 /nfs/dbraw/zinc/31/44/22/251314422.db2.gz ZFPIYKMVNOGPFU-BPLDGKMQSA-N 1 3 340.418 1.931 20 0 EDADHO COCC1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CC[NH2+]CC1 ZINC000418109791 251324762 /nfs/dbraw/zinc/32/47/62/251324762.db2.gz DCOGPHCRLBRSHJ-MRXNPFEDSA-N 1 3 338.496 1.319 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418165200 251352090 /nfs/dbraw/zinc/35/20/90/251352090.db2.gz IFDAJMDREDYKIK-SFHVURJKSA-N 1 3 348.491 1.942 20 0 EDADHO CCCN(C(=O)NCC1(SC)CCN(C)CC1)C1CC[NH2+]CC1 ZINC000418193598 251352506 /nfs/dbraw/zinc/35/25/06/251352506.db2.gz CCLBLLSUNPRPOD-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418319276 251360212 /nfs/dbraw/zinc/36/02/12/251360212.db2.gz OQMXXVMQKHAGHY-MRXNPFEDSA-N 1 3 336.455 1.899 20 0 EDADHO CN(C)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418721788 251396519 /nfs/dbraw/zinc/39/65/19/251396519.db2.gz HIWVGHAGCLDAQG-CGTJXYLNSA-N 1 3 348.466 1.864 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262712828 139298227 /nfs/dbraw/zinc/29/82/27/139298227.db2.gz SDJADTANPALTIW-LJQANCHMSA-N 1 3 332.492 1.568 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422885969 252012527 /nfs/dbraw/zinc/01/25/27/252012527.db2.gz ZTKLJJDOBRJVEA-PKOBYXMFSA-N 1 3 344.503 1.962 20 0 EDADHO COc1cc(CNC(=O)CC2(C[NH3+])CC2)ccc1OCCN(C)C ZINC000423345021 252047192 /nfs/dbraw/zinc/04/71/92/252047192.db2.gz NNADSRWRUKCHDC-UHFFFAOYSA-N 1 3 335.448 1.381 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353973 252050472 /nfs/dbraw/zinc/05/04/72/252050472.db2.gz CIRPNJIHFFBKRQ-ZNMIVQPWSA-N 1 3 336.484 1.113 20 0 EDADHO COCC[C@@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000424004475 252112448 /nfs/dbraw/zinc/11/24/48/252112448.db2.gz AXGUTEPKDXRXAR-JZXOWHBKSA-N 1 3 335.423 1.095 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCO1 ZINC000424023979 252118216 /nfs/dbraw/zinc/11/82/16/252118216.db2.gz QJTBSOHOGAKTDJ-SJLPKXTDSA-N 1 3 349.450 1.614 20 0 EDADHO NC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424027771 252119284 /nfs/dbraw/zinc/11/92/84/252119284.db2.gz MXGVWUNBGFZDBH-SOLBZPMBSA-N 1 3 345.393 1.960 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424129273 252133144 /nfs/dbraw/zinc/13/31/44/252133144.db2.gz CQTAROOMDDRPRV-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO COCc1cccc(CNC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424288511 252189914 /nfs/dbraw/zinc/18/99/14/252189914.db2.gz KKEHJOIKBIYOET-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476979 252246355 /nfs/dbraw/zinc/24/63/55/252246355.db2.gz KUFIEGNUNJRTNR-GDAAHCPNSA-N 1 3 342.487 1.900 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480563 285027551 /nfs/dbraw/zinc/02/75/51/285027551.db2.gz FYZZUMUEIYMVKS-IAGOWNOFSA-N 1 3 341.496 1.007 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1CN(C)C ZINC000415675331 304254024 /nfs/dbraw/zinc/25/40/24/304254024.db2.gz LQBGYZIHMVCIMR-XJKSGUPXSA-N 1 3 332.448 1.252 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655135 285243714 /nfs/dbraw/zinc/24/37/14/285243714.db2.gz IVXZIBAANHAYOI-GOSISDBHSA-N 1 3 347.507 1.592 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655135 285243715 /nfs/dbraw/zinc/24/37/15/285243715.db2.gz IVXZIBAANHAYOI-GOSISDBHSA-N 1 3 347.507 1.592 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@]1(N2CCOCC2)CCSC1 ZINC000154432929 224252332 /nfs/dbraw/zinc/25/23/32/224252332.db2.gz MRUXGJOZTKQDLC-QBPKDAKJSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@]1(N2CCOCC2)CCSC1 ZINC000154432929 224252335 /nfs/dbraw/zinc/25/23/35/224252335.db2.gz MRUXGJOZTKQDLC-QBPKDAKJSA-N 1 3 327.538 1.513 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000341160794 285257395 /nfs/dbraw/zinc/25/73/95/285257395.db2.gz VAEGQJCLRRJHIM-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000341160794 285257398 /nfs/dbraw/zinc/25/73/98/285257398.db2.gz VAEGQJCLRRJHIM-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO Cc1nccn1CCCN(C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158913 255358795 /nfs/dbraw/zinc/35/87/95/255358795.db2.gz GVOJOPYOATUDAL-SFHVURJKSA-N 1 3 347.463 1.388 20 0 EDADHO C[C@H]([NH3+])CCN[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382807 255389837 /nfs/dbraw/zinc/38/98/37/255389837.db2.gz VLDOHNRXQLKWSY-YQQAZPJKSA-N 1 3 335.448 1.739 20 0 EDADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264133 255372381 /nfs/dbraw/zinc/37/23/81/255372381.db2.gz NPNFMWOUAIPZOL-JZXOWHBKSA-N 1 3 349.475 1.858 20 0 EDADHO CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000118100760 221116360 /nfs/dbraw/zinc/11/63/60/221116360.db2.gz JZEJYIPHBHOPEI-KRWDZBQOSA-N 1 3 346.475 1.186 20 0 EDADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000118842316 221194471 /nfs/dbraw/zinc/19/44/71/221194471.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 1 3 329.444 1.946 20 0 EDADHO CN(CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842316 221194473 /nfs/dbraw/zinc/19/44/73/221194473.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 1 3 329.444 1.946 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875391 285333224 /nfs/dbraw/zinc/33/32/24/285333224.db2.gz VZRIYEAKSCRXFV-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000264338189 139398345 /nfs/dbraw/zinc/39/83/45/139398345.db2.gz YTBDZSXWIRIFSV-QGZVFWFLSA-N 1 3 348.491 1.515 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000271141276 140244663 /nfs/dbraw/zinc/24/46/63/140244663.db2.gz VIFTZYLMCYOKFC-YJBOKZPZSA-N 1 3 348.491 1.113 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271141276 140244665 /nfs/dbraw/zinc/24/46/65/140244665.db2.gz VIFTZYLMCYOKFC-YJBOKZPZSA-N 1 3 348.491 1.113 20 0 EDADHO COC(=O)COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000346694575 143232887 /nfs/dbraw/zinc/23/28/87/143232887.db2.gz UZTSVOIRSZZKCK-UHFFFAOYSA-N 1 3 336.432 1.568 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000347019767 143272208 /nfs/dbraw/zinc/27/22/08/143272208.db2.gz SJDQLWWEDHSQFI-QGZVFWFLSA-N 1 3 340.512 1.663 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000347034271 143274429 /nfs/dbraw/zinc/27/44/29/143274429.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 1 3 332.492 1.338 20 0 EDADHO Cc1nn(-c2ccccc2)cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347065377 143278159 /nfs/dbraw/zinc/27/81/59/143278159.db2.gz KTAFUHXHYZYZOF-MRXNPFEDSA-N 1 3 341.459 1.468 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000347110489 143283732 /nfs/dbraw/zinc/28/37/32/143283732.db2.gz PKVOGGCVFQRLLW-OAHLLOKOSA-N 1 3 327.432 1.364 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000572961236 306605597 /nfs/dbraw/zinc/60/55/97/306605597.db2.gz VINXHKDVOQVPAY-AWEZNQCLSA-N 1 3 334.455 1.947 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416848823 304351802 /nfs/dbraw/zinc/35/18/02/304351802.db2.gz WZZQWLZOZSVELY-ROUUACIJSA-N 1 3 348.491 1.747 20 0 EDADHO CN(C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416857194 304352044 /nfs/dbraw/zinc/35/20/44/304352044.db2.gz XZBCALHYANYHQM-ZWKOTPCHSA-N 1 3 330.476 1.695 20 0 EDADHO CC[NH+]1CCC(NC(=O)N2CCN(c3ccncc3OC)CC2)CC1 ZINC000353178799 149314409 /nfs/dbraw/zinc/31/44/09/149314409.db2.gz CEGNGPMVBASZHG-UHFFFAOYSA-N 1 3 347.463 1.406 20 0 EDADHO CO[C@H](CN)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353424295 149399896 /nfs/dbraw/zinc/39/98/96/149399896.db2.gz FORXXLZFDDCYTB-MRXNPFEDSA-N 1 3 348.447 1.413 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416975465 304358966 /nfs/dbraw/zinc/35/89/66/304358966.db2.gz ZGVCMFXMENSGNF-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC(C)(C)CCC[NH3+])c1 ZINC000416975588 304359041 /nfs/dbraw/zinc/35/90/41/304359041.db2.gz OBBFJIRBLGCBCD-UHFFFAOYSA-N 1 3 336.480 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000416979782 304360364 /nfs/dbraw/zinc/36/03/64/304360364.db2.gz XLDOWGKSPLSEKX-RDJZCZTQSA-N 1 3 334.464 1.554 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCN(CCN(C)C)CC2)cc1 ZINC000416986448 304361781 /nfs/dbraw/zinc/36/17/81/304361781.db2.gz ZJXWCBCIIUPJLA-OAHLLOKOSA-N 1 3 347.507 1.532 20 0 EDADHO O=C(NCCN1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417030884 304362914 /nfs/dbraw/zinc/36/29/14/304362914.db2.gz PTIDPFAREPMEAV-GOSISDBHSA-N 1 3 345.491 1.028 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCOC1C[NH2+]C1 ZINC000357359917 151007196 /nfs/dbraw/zinc/00/71/96/151007196.db2.gz GJWAGPALIJKUDK-UHFFFAOYSA-N 1 3 341.402 1.234 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000357913462 151193409 /nfs/dbraw/zinc/19/34/09/151193409.db2.gz NRRDVANLHKWVET-KGLIPLIRSA-N 1 3 333.567 1.565 20 0 EDADHO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000358072070 151258637 /nfs/dbraw/zinc/25/86/37/151258637.db2.gz BIRRUORHOFKRJG-OAHLLOKOSA-N 1 3 338.496 1.389 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@H](C)C1 ZINC000358104754 151272453 /nfs/dbraw/zinc/27/24/53/151272453.db2.gz YQJYIOGRWMJXCO-IKGGRYGDSA-N 1 3 327.513 1.970 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc(F)cc1 ZINC000358507054 151398390 /nfs/dbraw/zinc/39/83/90/151398390.db2.gz MSDPKAHQWXNAAD-UHFFFAOYSA-N 1 3 335.423 1.396 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000363798221 153059527 /nfs/dbraw/zinc/05/95/27/153059527.db2.gz BHNCXEQTUJUZBX-AYOQOUSVSA-N 1 3 327.472 1.965 20 0 EDADHO C[C@@H](CN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209506 154041419 /nfs/dbraw/zinc/04/14/19/154041419.db2.gz RDRFWIOQCPFAQI-GJZGRUSLSA-N 1 3 328.522 1.863 20 0 EDADHO C[C@@H](CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209506 154041421 /nfs/dbraw/zinc/04/14/21/154041421.db2.gz RDRFWIOQCPFAQI-GJZGRUSLSA-N 1 3 328.522 1.863 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367401570 154107074 /nfs/dbraw/zinc/10/70/74/154107074.db2.gz LVLYYYMAEQJGIL-AVVWSFFYSA-N 1 3 339.480 1.426 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000367590630 154189355 /nfs/dbraw/zinc/18/93/55/154189355.db2.gz SSKKRDUBUFKBAX-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000367590630 154189357 /nfs/dbraw/zinc/18/93/57/154189357.db2.gz SSKKRDUBUFKBAX-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245661894 292337262 /nfs/dbraw/zinc/33/72/62/292337262.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000245661894 292337264 /nfs/dbraw/zinc/33/72/64/292337264.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417546010 304404761 /nfs/dbraw/zinc/40/47/61/304404761.db2.gz LDSAPTKFSSNRMM-UHFFFAOYSA-N 1 3 328.501 1.502 20 0 EDADHO COC(=O)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CC12CCC2 ZINC000374287993 157226210 /nfs/dbraw/zinc/22/62/10/157226210.db2.gz OLETZSVOAVKVJE-QGZVFWFLSA-N 1 3 337.508 1.678 20 0 EDADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CC12CCC2 ZINC000374287993 157226213 /nfs/dbraw/zinc/22/62/13/157226213.db2.gz OLETZSVOAVKVJE-QGZVFWFLSA-N 1 3 337.508 1.678 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000378185361 158103345 /nfs/dbraw/zinc/10/33/45/158103345.db2.gz QPQTWAJWHWVZOL-GOSISDBHSA-N 1 3 325.497 1.330 20 0 EDADHO CC(C)Cn1ncnc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378510021 158195375 /nfs/dbraw/zinc/19/53/75/158195375.db2.gz YYBDZZNZHALZBX-KRWDZBQOSA-N 1 3 334.512 1.534 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261863995 287272682 /nfs/dbraw/zinc/27/26/82/287272682.db2.gz SLNWKBNDMVPMAG-SOLBZPMBSA-N 1 3 337.508 1.853 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261863995 287272683 /nfs/dbraw/zinc/27/26/83/287272683.db2.gz SLNWKBNDMVPMAG-SOLBZPMBSA-N 1 3 337.508 1.853 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000171188859 226933230 /nfs/dbraw/zinc/93/32/30/226933230.db2.gz QAWORIILIGYZAT-UHFFFAOYSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(CCO)CC1 ZINC000665757883 452326953 /nfs/dbraw/zinc/32/69/53/452326953.db2.gz ZCYKJDUWUNALOS-HNNXBMFYSA-N 1 3 328.501 1.062 20 0 EDADHO CO[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122724208 222145246 /nfs/dbraw/zinc/14/52/46/222145246.db2.gz AKSBNKVCBYGDSC-DLBZAZTESA-N 1 3 338.496 1.412 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cnccn1 ZINC000279667788 273315866 /nfs/dbraw/zinc/31/58/66/273315866.db2.gz HGAOTIOTHOPYRL-QGZVFWFLSA-N 1 3 333.480 1.284 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cnccn1 ZINC000279667788 273315867 /nfs/dbraw/zinc/31/58/67/273315867.db2.gz HGAOTIOTHOPYRL-QGZVFWFLSA-N 1 3 333.480 1.284 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000355446465 276286199 /nfs/dbraw/zinc/28/61/99/276286199.db2.gz PZAPIFBZCNLECF-SQNIBIBYSA-N 1 3 338.540 1.638 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ncn1 ZINC000375804401 277043089 /nfs/dbraw/zinc/04/30/89/277043089.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 1 3 344.507 1.950 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ncn1 ZINC000375804401 277043090 /nfs/dbraw/zinc/04/30/90/277043090.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 1 3 344.507 1.950 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000347042419 277226584 /nfs/dbraw/zinc/22/65/84/277226584.db2.gz KQZKTZWOQXPQIM-ZACQAIPSSA-N 1 3 340.512 1.374 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417090450 277300981 /nfs/dbraw/zinc/30/09/81/277300981.db2.gz WLDGCIBCYNETNK-HNNXBMFYSA-N 1 3 330.476 1.732 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000333876568 278940674 /nfs/dbraw/zinc/94/06/74/278940674.db2.gz VKKILJGBLHODPL-GOEBONIOSA-N 1 3 331.526 1.414 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000359552047 279142148 /nfs/dbraw/zinc/14/21/48/279142148.db2.gz BTNVVEKRGHDXTC-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCCN3C3CC3)CC2)CC1 ZINC000422025978 279258619 /nfs/dbraw/zinc/25/86/19/279258619.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 1 3 348.535 1.632 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451258194 279357887 /nfs/dbraw/zinc/35/78/87/279357887.db2.gz FEHWFTRKQUXLID-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451258194 279357888 /nfs/dbraw/zinc/35/78/88/279357888.db2.gz FEHWFTRKQUXLID-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1CN1CCCCC1 ZINC000262853044 280217914 /nfs/dbraw/zinc/21/79/14/280217914.db2.gz VOIQJFKKWAIZQC-DLBZAZTESA-N 1 3 345.491 1.898 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000290358609 288886028 /nfs/dbraw/zinc/88/60/28/288886028.db2.gz JIBWANYTYYTJBD-MSOLQXFVSA-N 1 3 329.488 1.836 20 0 EDADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188959397 289145768 /nfs/dbraw/zinc/14/57/68/289145768.db2.gz IPMZDNILDGISFX-UHFFFAOYSA-N 1 3 345.422 1.399 20 0 EDADHO C[C@H](C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464731 289286111 /nfs/dbraw/zinc/28/61/11/289286111.db2.gz XPMKHMHERBGXSC-KRWDZBQOSA-N 1 3 344.503 1.118 20 0 EDADHO C[C@H](CCN1CCOCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910989 289485276 /nfs/dbraw/zinc/48/52/76/289485276.db2.gz JTGOPDJSVRJXSS-POAQFYNOSA-N 1 3 345.487 1.943 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000418553886 304512062 /nfs/dbraw/zinc/51/20/62/304512062.db2.gz ICBTZMDZDNTWHA-MAUKXSAKSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N1CCCCCC1 ZINC000193669901 298024180 /nfs/dbraw/zinc/02/41/80/298024180.db2.gz NCQZDQRYYRARAD-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@]1(C(=O)NCC2(N3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000237545185 300762051 /nfs/dbraw/zinc/76/20/51/300762051.db2.gz KXKBYSPVNQOXSP-INIZCTEOSA-N 1 3 325.522 1.854 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641153 447313418 /nfs/dbraw/zinc/31/34/18/447313418.db2.gz KZBDBCLLZYLXOJ-PBHICJAKSA-N 1 3 346.475 1.093 20 0 EDADHO C[C@H]1C[C@H](CN2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766067 447323897 /nfs/dbraw/zinc/32/38/97/447323897.db2.gz QSQKALSDJKKFDC-LSDHHAIUSA-N 1 3 336.501 1.879 20 0 EDADHO Cn1cncc1[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344825134 303029717 /nfs/dbraw/zinc/02/97/17/303029717.db2.gz JUTLDYOXRFMBKJ-YJBOKZPZSA-N 1 3 331.464 1.298 20 0 EDADHO O=C(c1ccccc1)N1C[C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997968 304882716 /nfs/dbraw/zinc/88/27/16/304882716.db2.gz VUJMAFPESUACJE-CEXWTWQISA-N 1 3 342.487 1.317 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])Cc2ccccc2C1 ZINC000424459792 304930662 /nfs/dbraw/zinc/93/06/62/304930662.db2.gz HGHYLIUWSDITIV-IAGOWNOFSA-N 1 3 330.476 1.655 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989018 305003099 /nfs/dbraw/zinc/00/30/99/305003099.db2.gz RDBCYUQXPHEJRM-YOEHRIQHSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989018 305003100 /nfs/dbraw/zinc/00/31/00/305003100.db2.gz RDBCYUQXPHEJRM-YOEHRIQHSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994720 305021938 /nfs/dbraw/zinc/02/19/38/305021938.db2.gz FWUZBQKEILNYOC-MDZRGWNJSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994720 305021939 /nfs/dbraw/zinc/02/19/39/305021939.db2.gz FWUZBQKEILNYOC-MDZRGWNJSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CCN2CCCOCC2)CC1 ZINC000429673924 305034585 /nfs/dbraw/zinc/03/45/85/305034585.db2.gz BOVYAOBUAPAIMY-RTBURBONSA-N 1 3 338.540 1.199 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430597875 305057778 /nfs/dbraw/zinc/05/77/78/305057778.db2.gz BEHPDESXEVKOQI-CYBMUJFWSA-N 1 3 335.448 1.379 20 0 EDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647721 305061134 /nfs/dbraw/zinc/06/11/34/305061134.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 1 3 345.491 1.322 20 0 EDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647721 305061135 /nfs/dbraw/zinc/06/11/35/305061135.db2.gz QLGFQXIBRVCXIF-IRXDYDNUSA-N 1 3 345.491 1.322 20 0 EDADHO CN(C(=O)CC1CC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000431013719 305072828 /nfs/dbraw/zinc/07/28/28/305072828.db2.gz GGOZNUDALLGSPZ-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433328577 305106001 /nfs/dbraw/zinc/10/60/01/305106001.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433328577 305106002 /nfs/dbraw/zinc/10/60/02/305106002.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375123 305139260 /nfs/dbraw/zinc/13/92/60/305139260.db2.gz ZUJNJCIHXYCYKP-CYBMUJFWSA-N 1 3 331.420 1.265 20 0 EDADHO C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000435944693 305149866 /nfs/dbraw/zinc/14/98/66/305149866.db2.gz SVSGTHUOVHDGQD-KSZLIROESA-N 1 3 336.524 1.488 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOCC(F)(F)F ZINC000436056499 305151709 /nfs/dbraw/zinc/15/17/09/305151709.db2.gz ZCCFLBDCZALCNR-GFCCVEGCSA-N 1 3 325.375 1.275 20 0 EDADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1CCN(C)C ZINC000436488729 305158654 /nfs/dbraw/zinc/15/86/54/305158654.db2.gz NOZALSJHDIGQON-GJZGRUSLSA-N 1 3 334.468 1.535 20 0 EDADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1CCN(C)C ZINC000436488729 305158655 /nfs/dbraw/zinc/15/86/55/305158655.db2.gz NOZALSJHDIGQON-GJZGRUSLSA-N 1 3 334.468 1.535 20 0 EDADHO CN(C)CCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438560223 305186998 /nfs/dbraw/zinc/18/69/98/305186998.db2.gz FAAMOEXMVVOMTH-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO CN(C)CCOC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438560223 305186999 /nfs/dbraw/zinc/18/69/99/305186999.db2.gz FAAMOEXMVVOMTH-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000438828015 305189525 /nfs/dbraw/zinc/18/95/25/305189525.db2.gz FEWHOVUAGXFDAV-SFHVURJKSA-N 1 3 343.475 1.803 20 0 EDADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000440179481 305204398 /nfs/dbraw/zinc/20/43/98/305204398.db2.gz OTDLNGLQIQYMET-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000440179481 305204399 /nfs/dbraw/zinc/20/43/99/305204399.db2.gz OTDLNGLQIQYMET-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000446571779 305267080 /nfs/dbraw/zinc/26/70/80/305267080.db2.gz KRJCFGPBKILTLW-QGZVFWFLSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446616777 305268004 /nfs/dbraw/zinc/26/80/04/305268004.db2.gz FMOOULXVIFGCPI-UHFFFAOYSA-N 1 3 333.480 1.639 20 0 EDADHO C[C@H]1C[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000447512247 305281004 /nfs/dbraw/zinc/28/10/04/305281004.db2.gz XPSVBLHIEXAUDC-ZWKOTPCHSA-N 1 3 344.503 1.846 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489775071 305565904 /nfs/dbraw/zinc/56/59/04/305565904.db2.gz JHFRFWUVVSWBHY-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO COc1cc(CNC(=O)/C=C\C[NH+](C)C)ccc1OCCN(C)C ZINC000491872193 305579596 /nfs/dbraw/zinc/57/95/96/305579596.db2.gz RLPMBQWJSNQGJU-SREVYHEPSA-N 1 3 335.448 1.370 20 0 EDADHO CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C4CC[NH2+]CC4)no3)[C@@H]2C1 ZINC000425897264 447353735 /nfs/dbraw/zinc/35/37/35/447353735.db2.gz SNEYLGJABWMDMB-JQHSSLGASA-N 1 3 346.475 1.878 20 0 EDADHO CN(C)C(=O)[C@@H]1CCC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425903836 447355051 /nfs/dbraw/zinc/35/50/51/447355051.db2.gz WVHXDXYKNHNTKF-HUUCEWRRSA-N 1 3 334.464 1.878 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419705470 447361698 /nfs/dbraw/zinc/36/16/98/447361698.db2.gz ZTQVYEMNFREITR-HZPDHXFCSA-N 1 3 340.512 1.103 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000525970593 305831498 /nfs/dbraw/zinc/83/14/98/305831498.db2.gz APRDORUNRHXDJE-UHFFFAOYSA-N 1 3 331.464 1.803 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)CCN(C)c2ccncc2)CC1 ZINC000540927920 306041959 /nfs/dbraw/zinc/04/19/59/306041959.db2.gz LPMLTZDYRLJJQD-UHFFFAOYSA-N 1 3 334.464 1.259 20 0 EDADHO CC(C)[C@H]1C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000541049363 306043673 /nfs/dbraw/zinc/04/36/73/306043673.db2.gz OHRLVWGLFXQXDO-IAGOWNOFSA-N 1 3 327.513 1.780 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1CN(C)C ZINC000415393701 447413872 /nfs/dbraw/zinc/41/38/72/447413872.db2.gz ZNJGFWQMDQEJPW-AWEZNQCLSA-N 1 3 346.475 1.581 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000494453420 447437116 /nfs/dbraw/zinc/43/71/16/447437116.db2.gz KYGXDTDNUAQACC-QYZOEREBSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000494453420 447437124 /nfs/dbraw/zinc/43/71/24/447437124.db2.gz KYGXDTDNUAQACC-QYZOEREBSA-N 1 3 341.540 1.824 20 0 EDADHO CN(CCOc1cccc(Br)c1)CCN1CC[NH2+]CC1 ZINC000071150349 441141867 /nfs/dbraw/zinc/14/18/67/441141867.db2.gz DVXBCKPHRHYFPL-UHFFFAOYSA-N 1 3 342.281 1.665 20 0 EDADHO CCN(CC)CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104924385 441222793 /nfs/dbraw/zinc/22/27/93/441222793.db2.gz CGQLAEBWKMWMLH-UHFFFAOYSA-N 1 3 333.476 1.601 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244908 /nfs/dbraw/zinc/24/49/08/441244908.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 1 3 342.487 1.401 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244914 /nfs/dbraw/zinc/24/49/14/441244914.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 1 3 342.487 1.401 20 0 EDADHO CC[NH+](CC)CC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000047978781 441245008 /nfs/dbraw/zinc/24/50/08/441245008.db2.gz OJHMUEBZUZKCAG-UHFFFAOYSA-N 1 3 331.464 1.550 20 0 EDADHO CCCO[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000108394503 441449920 /nfs/dbraw/zinc/44/99/20/441449920.db2.gz ZOIPWMLRRHPJBG-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000065639193 441475138 /nfs/dbraw/zinc/47/51/38/441475138.db2.gz ANFJIPDPTULABP-MRXNPFEDSA-N 1 3 346.475 1.533 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000065639193 441475141 /nfs/dbraw/zinc/47/51/41/441475141.db2.gz ANFJIPDPTULABP-MRXNPFEDSA-N 1 3 346.475 1.533 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136662021 441712352 /nfs/dbraw/zinc/71/23/52/441712352.db2.gz XXQKJYABANLZQD-INIZCTEOSA-N 1 3 336.480 1.728 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C1(OC)CC[NH2+]CC1)c1ccccc1 ZINC000159119140 441788641 /nfs/dbraw/zinc/78/86/41/441788641.db2.gz MXIMZSPCNABZRA-KRWDZBQOSA-N 1 3 333.476 1.954 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)CNC[C@@H]1CCCO1)c1ccccc1 ZINC000159118704 441789081 /nfs/dbraw/zinc/78/90/81/441789081.db2.gz VEFVOMNJBYMNBO-ZWKOTPCHSA-N 1 3 333.476 1.954 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)NCC1CCN(CCO)CC1)C(C)(C)C ZINC000116549473 441829435 /nfs/dbraw/zinc/82/94/35/441829435.db2.gz ZXXACBGJCIPFGO-MRXNPFEDSA-N 1 3 342.528 1.356 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC[NH+]1CCCCC1 ZINC000174641380 441947774 /nfs/dbraw/zinc/94/77/74/441947774.db2.gz RWVFJKALYCYVAD-UHFFFAOYSA-N 1 3 344.503 1.801 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000119868310 441967455 /nfs/dbraw/zinc/96/74/55/441967455.db2.gz LPANRTHNNMWSQC-UHFFFAOYSA-N 1 3 345.451 1.224 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)NCCC2CC[NH+](C)CC2)c1 ZINC000125391259 442018174 /nfs/dbraw/zinc/01/81/74/442018174.db2.gz PXZNMWILSCKCHY-CQSZACIVSA-N 1 3 339.505 1.977 20 0 EDADHO CCN1CCN(CCCCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000426452100 447446090 /nfs/dbraw/zinc/44/60/90/447446090.db2.gz WULRCMVZGHFPPN-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCCO1 ZINC000162315871 442083508 /nfs/dbraw/zinc/08/35/08/442083508.db2.gz BJZJGEOQZYILHC-SQNIBIBYSA-N 1 3 333.476 1.953 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CN1C1CC1 ZINC000151822003 442125589 /nfs/dbraw/zinc/12/55/89/442125589.db2.gz YGTXZXMRRQXYJZ-CJNGLKHVSA-N 1 3 344.459 1.428 20 0 EDADHO CNC(=O)CN1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000151959599 442147035 /nfs/dbraw/zinc/14/70/35/442147035.db2.gz NYPPFOQUMIAFMB-UHFFFAOYSA-N 1 3 336.524 1.584 20 0 EDADHO CNC(=O)CN1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000151959599 442147037 /nfs/dbraw/zinc/14/70/37/442147037.db2.gz NYPPFOQUMIAFMB-UHFFFAOYSA-N 1 3 336.524 1.584 20 0 EDADHO COCCNCC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165037977 442205634 /nfs/dbraw/zinc/20/56/34/442205634.db2.gz LOCJPPCAUSNSRU-GOSISDBHSA-N 1 3 347.503 1.812 20 0 EDADHO COCCNCC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165037977 442205639 /nfs/dbraw/zinc/20/56/39/442205639.db2.gz LOCJPPCAUSNSRU-GOSISDBHSA-N 1 3 347.503 1.812 20 0 EDADHO CO[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000171242046 442332933 /nfs/dbraw/zinc/33/29/33/442332933.db2.gz AXSHETRZUIRZTH-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000154979152 442368140 /nfs/dbraw/zinc/36/81/40/442368140.db2.gz UTGBHYXJGLYFCW-ROUUACIJSA-N 1 3 332.492 1.925 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015919 442371089 /nfs/dbraw/zinc/37/10/89/442371089.db2.gz HMALNZFTQXDEMM-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000134199966 442457824 /nfs/dbraw/zinc/45/78/24/442457824.db2.gz PAZJPEXDJZPGTJ-QGZVFWFLSA-N 1 3 330.476 1.409 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000178849559 442502034 /nfs/dbraw/zinc/50/20/34/442502034.db2.gz IYWPLVNNOTVJCO-SFHVURJKSA-N 1 3 333.476 1.562 20 0 EDADHO CSCC[C@@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000157922841 442628234 /nfs/dbraw/zinc/62/82/34/442628234.db2.gz ZAETUIPBPYEYFO-CZUORRHYSA-N 1 3 336.505 1.804 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000187929936 442698058 /nfs/dbraw/zinc/69/80/58/442698058.db2.gz ZNXDLCSZCURTRX-OKZBNKHCSA-N 1 3 331.460 1.534 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246489949 442785800 /nfs/dbraw/zinc/78/58/00/442785800.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246489949 442785803 /nfs/dbraw/zinc/78/58/03/442785803.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 1 3 326.485 1.221 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCn3cccc3)CC2)CC1 ZINC000267921980 442787917 /nfs/dbraw/zinc/78/79/17/442787917.db2.gz ZFGXOAHKKSWLJE-UHFFFAOYSA-N 1 3 333.480 1.346 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188693985 442790169 /nfs/dbraw/zinc/79/01/69/442790169.db2.gz OSQYONJWPSQFSH-AWEZNQCLSA-N 1 3 345.472 1.684 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759945 /nfs/dbraw/zinc/75/99/45/442759945.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759946 /nfs/dbraw/zinc/75/99/46/442759946.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@H+]1CC1(CN2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759949 /nfs/dbraw/zinc/75/99/49/442759949.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 1 3 340.508 1.474 20 0 EDADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(CN2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759950 /nfs/dbraw/zinc/75/99/50/442759950.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 1 3 340.508 1.474 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN4CCC3CC4)cc2)CC1 ZINC000188846847 442827144 /nfs/dbraw/zinc/82/71/44/442827144.db2.gz HWWRAPBYZDCNIN-UHFFFAOYSA-N 1 3 342.487 1.749 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2)CC1 ZINC000188846847 442827147 /nfs/dbraw/zinc/82/71/47/442827147.db2.gz HWWRAPBYZDCNIN-UHFFFAOYSA-N 1 3 342.487 1.749 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442875011 /nfs/dbraw/zinc/87/50/11/442875011.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 1 3 329.510 1.074 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442875015 /nfs/dbraw/zinc/87/50/15/442875015.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 1 3 329.510 1.074 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(O)cc1 ZINC000268354797 442959439 /nfs/dbraw/zinc/95/94/39/442959439.db2.gz AZGHPACAROUOSO-QGZVFWFLSA-N 1 3 333.476 1.809 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(O)cc1 ZINC000268354797 442959443 /nfs/dbraw/zinc/95/94/43/442959443.db2.gz AZGHPACAROUOSO-QGZVFWFLSA-N 1 3 333.476 1.809 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000194939174 442970483 /nfs/dbraw/zinc/97/04/83/442970483.db2.gz JVFLIQRELSGXLB-DOMZBBRYSA-N 1 3 329.366 1.904 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000263231175 443227918 /nfs/dbraw/zinc/22/79/18/443227918.db2.gz IFSADYCAIYCADK-ZOBUZTSGSA-N 1 3 340.512 1.103 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000245591554 443238813 /nfs/dbraw/zinc/23/88/13/443238813.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000245591554 443238816 /nfs/dbraw/zinc/23/88/16/443238816.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000245612122 443240243 /nfs/dbraw/zinc/24/02/43/443240243.db2.gz WADMXBFEXVJLLU-IRXDYDNUSA-N 1 3 343.537 1.653 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000245612122 443240246 /nfs/dbraw/zinc/24/02/46/443240246.db2.gz WADMXBFEXVJLLU-IRXDYDNUSA-N 1 3 343.537 1.653 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000245612122 443240247 /nfs/dbraw/zinc/24/02/47/443240247.db2.gz WADMXBFEXVJLLU-IRXDYDNUSA-N 1 3 343.537 1.653 20 0 EDADHO Cc1cc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000397524888 319135577 /nfs/dbraw/zinc/13/55/77/319135577.db2.gz WCUHEORQJBZVDH-UHFFFAOYSA-N 1 3 328.460 1.845 20 0 EDADHO Cc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1C ZINC000414677661 319340106 /nfs/dbraw/zinc/34/01/06/319340106.db2.gz WYCKDCYQRRAUCA-SFHVURJKSA-N 1 3 344.503 1.623 20 0 EDADHO Cc1ccccc1N1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414682443 319341864 /nfs/dbraw/zinc/34/18/64/319341864.db2.gz RGDKKVHKLQCGOT-KRWDZBQOSA-N 1 3 330.476 1.314 20 0 EDADHO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414685455 319342268 /nfs/dbraw/zinc/34/22/68/319342268.db2.gz ZGKYRWXRSFNRQE-HNNXBMFYSA-N 1 3 335.448 1.203 20 0 EDADHO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414685455 319342269 /nfs/dbraw/zinc/34/22/69/319342269.db2.gz ZGKYRWXRSFNRQE-HNNXBMFYSA-N 1 3 335.448 1.203 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)cc1 ZINC000415087305 319346272 /nfs/dbraw/zinc/34/62/72/319346272.db2.gz SSCRAVNJVIFISJ-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417362448 319494310 /nfs/dbraw/zinc/49/43/10/319494310.db2.gz LGABWOCSUZZEGG-HNNXBMFYSA-N 1 3 334.464 1.426 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946515 319739976 /nfs/dbraw/zinc/73/99/76/319739976.db2.gz OZPSBVUSWWIWGN-DZGCQCFKSA-N 1 3 343.493 1.341 20 0 EDADHO COCCOc1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1OC ZINC000423201108 319756464 /nfs/dbraw/zinc/75/64/64/319756464.db2.gz HKJIBUCFRDJZPN-HNNXBMFYSA-N 1 3 337.464 1.276 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cn(CCCC[NH3+])nn2)N(C)C)cc1 ZINC000423340270 319765144 /nfs/dbraw/zinc/76/51/44/319765144.db2.gz JFXMSCBBBOEVDX-QGZVFWFLSA-N 1 3 344.463 1.358 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000275721211 443639732 /nfs/dbraw/zinc/63/97/32/443639732.db2.gz WBTFPLMBRKAECG-UHFFFAOYSA-N 1 3 348.491 1.711 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000275721211 443639733 /nfs/dbraw/zinc/63/97/33/443639733.db2.gz WBTFPLMBRKAECG-UHFFFAOYSA-N 1 3 348.491 1.711 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000265365341 443617346 /nfs/dbraw/zinc/61/73/46/443617346.db2.gz NANWTVQZAAQEEE-SFHVURJKSA-N 1 3 333.476 1.931 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693466 320048162 /nfs/dbraw/zinc/04/81/62/320048162.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693466 320048164 /nfs/dbraw/zinc/04/81/64/320048164.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000444269463 320123611 /nfs/dbraw/zinc/12/36/11/320123611.db2.gz LAPDSXIRZLSSNA-HZPDHXFCSA-N 1 3 330.432 1.153 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275196 320262102 /nfs/dbraw/zinc/26/21/02/320262102.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 1 3 341.540 1.560 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275196 320262104 /nfs/dbraw/zinc/26/21/04/320262104.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 1 3 341.540 1.560 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275196 320262105 /nfs/dbraw/zinc/26/21/05/320262105.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 1 3 341.540 1.560 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCCCC1 ZINC000457445024 320326063 /nfs/dbraw/zinc/32/60/63/320326063.db2.gz WVBXWQTZMKBRKW-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471647475 320352958 /nfs/dbraw/zinc/35/29/58/320352958.db2.gz HDIQPNNPVONDQR-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471647475 320352959 /nfs/dbraw/zinc/35/29/59/320352959.db2.gz HDIQPNNPVONDQR-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000475045040 320353640 /nfs/dbraw/zinc/35/36/40/320353640.db2.gz IKUQQVJYQDGUMI-MLHJIOFPSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000475045040 320353641 /nfs/dbraw/zinc/35/36/41/320353641.db2.gz IKUQQVJYQDGUMI-MLHJIOFPSA-N 1 3 335.471 1.549 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@H](CC(C)C)CN(C)C)CC1 ZINC000516188001 320434220 /nfs/dbraw/zinc/43/42/20/320434220.db2.gz QFAAVVRWDDKGBG-MRXNPFEDSA-N 1 3 328.501 1.373 20 0 EDADHO Cc1ccc(CNC(=O)CN(C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288797728 443986108 /nfs/dbraw/zinc/98/61/08/443986108.db2.gz CVBCZRMKIYAHEQ-UHFFFAOYSA-N 1 3 334.508 1.427 20 0 EDADHO CC(=O)c1cc(C(=O)N(CCCN(C)C)CCC[NH+](C)C)n(C)c1 ZINC000299429869 444043852 /nfs/dbraw/zinc/04/38/52/444043852.db2.gz LIMXJYDDDOPNON-UHFFFAOYSA-N 1 3 336.480 1.573 20 0 EDADHO CN1CCN(CCNC(=O)NCCC2CC[NH+](C)CC2)CC1(C)C ZINC000562514851 321060464 /nfs/dbraw/zinc/06/04/64/321060464.db2.gz RKDXHBYVBLWPRB-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000562995035 321086824 /nfs/dbraw/zinc/08/68/24/321086824.db2.gz GXXSBTILVVQVDM-PXNSSMCTSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000562995035 321086825 /nfs/dbraw/zinc/08/68/25/321086825.db2.gz GXXSBTILVVQVDM-PXNSSMCTSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000562995035 321086826 /nfs/dbraw/zinc/08/68/26/321086826.db2.gz GXXSBTILVVQVDM-PXNSSMCTSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000563094369 321095117 /nfs/dbraw/zinc/09/51/17/321095117.db2.gz IMDPVMGBBNYRJX-DEFDSWJHSA-N 1 3 347.503 1.665 20 0 EDADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779337 321147464 /nfs/dbraw/zinc/14/74/64/321147464.db2.gz QFPCKAXGBSMCBT-LLVKDONJSA-N 1 3 328.254 1.951 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000565773512 321200950 /nfs/dbraw/zinc/20/09/50/321200950.db2.gz UECPDIPCAFRPCJ-MRXNPFEDSA-N 1 3 325.497 1.495 20 0 EDADHO COc1cccc([C@H](CNC(=O)N2CCN[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000566057820 321212896 /nfs/dbraw/zinc/21/28/96/321212896.db2.gz XWVRDAXLVZACNY-QAPCUYQASA-N 1 3 346.475 1.835 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000566116868 321217334 /nfs/dbraw/zinc/21/73/34/321217334.db2.gz LGCDFOYSDUOWAH-SFHVURJKSA-N 1 3 341.540 1.702 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231357 /nfs/dbraw/zinc/23/13/57/321231357.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231358 /nfs/dbraw/zinc/23/13/58/321231358.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO CCN(CC)CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299634635 444101444 /nfs/dbraw/zinc/10/14/44/444101444.db2.gz CUEJYALBJZSGIV-UHFFFAOYSA-N 1 3 332.492 1.889 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000570029691 321334787 /nfs/dbraw/zinc/33/47/87/321334787.db2.gz KWOPQNWZJLPTHQ-AEFFLSMTSA-N 1 3 339.443 1.424 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000570573640 321349255 /nfs/dbraw/zinc/34/92/55/321349255.db2.gz XKLNDNJLSWEVHG-GOEBONIOSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949570 321366131 /nfs/dbraw/zinc/36/61/31/321366131.db2.gz LKRUEEURBGXRJX-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)CCC3CC[NH2+]CC3)C2)CC1 ZINC000576870976 321603295 /nfs/dbraw/zinc/60/32/95/321603295.db2.gz GWGQZYQWYRKPIG-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000296508777 444234344 /nfs/dbraw/zinc/23/43/44/444234344.db2.gz RLDFQEJUWDALTL-KRWDZBQOSA-N 1 3 344.503 1.451 20 0 EDADHO CO[C@H](CN)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000290116026 444244335 /nfs/dbraw/zinc/24/43/35/444244335.db2.gz KUJODKIMLKEEDC-LJQANCHMSA-N 1 3 347.503 1.811 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000310816967 444292759 /nfs/dbraw/zinc/29/27/59/444292759.db2.gz JEQNRQAXAJGVHC-MTQWCTHYSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000310816967 444292761 /nfs/dbraw/zinc/29/27/61/444292761.db2.gz JEQNRQAXAJGVHC-MTQWCTHYSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000310816967 444292762 /nfs/dbraw/zinc/29/27/62/444292762.db2.gz JEQNRQAXAJGVHC-MTQWCTHYSA-N 1 3 340.471 1.744 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000324696338 444357167 /nfs/dbraw/zinc/35/71/67/444357167.db2.gz WAXHGYRIQAZVKI-QZTJIDSGSA-N 1 3 332.492 1.465 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000581009394 322123989 /nfs/dbraw/zinc/12/39/89/322123989.db2.gz WGXQVYOMBNIVSL-LJQANCHMSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCN1C ZINC000343764724 444574382 /nfs/dbraw/zinc/57/43/82/444574382.db2.gz WDOGSLCFQGWQDR-HOTGVXAUSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1C[C@H](C(=O)N(CCCN(C)C)CCC[NH+](C)C)CCC1=O ZINC000343722024 444545323 /nfs/dbraw/zinc/54/53/23/444545323.db2.gz LHIBYCLFMHVWCH-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CN1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341008667 444628317 /nfs/dbraw/zinc/62/83/17/444628317.db2.gz DYJOCPLOTUUGNC-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561424 444680521 /nfs/dbraw/zinc/68/05/21/444680521.db2.gz KZXIYRIETPDTGF-FVQBIDKESA-N 1 3 331.464 1.709 20 0 EDADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968032 444700619 /nfs/dbraw/zinc/70/06/19/444700619.db2.gz AZUMWVUQYYOLBW-AWEZNQCLSA-N 1 3 349.504 1.884 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794432 444698019 /nfs/dbraw/zinc/69/80/19/444698019.db2.gz GTBWWGNUYGJNHX-HNNXBMFYSA-N 1 3 338.496 1.543 20 0 EDADHO CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000342949190 444959440 /nfs/dbraw/zinc/95/94/40/444959440.db2.gz BWAUONCEXMJLLS-ZWKOTPCHSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000342949190 444959446 /nfs/dbraw/zinc/95/94/46/444959446.db2.gz BWAUONCEXMJLLS-ZWKOTPCHSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000342949184 444959697 /nfs/dbraw/zinc/95/96/97/444959697.db2.gz BWAUONCEXMJLLS-MSOLQXFVSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000342949184 444959703 /nfs/dbraw/zinc/95/97/03/444959703.db2.gz BWAUONCEXMJLLS-MSOLQXFVSA-N 1 3 339.524 1.850 20 0 EDADHO CC[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)N1CCc2ccccc2C1 ZINC000344483426 445002196 /nfs/dbraw/zinc/00/21/96/445002196.db2.gz PLFNGGPKZSXMPX-SFHVURJKSA-N 1 3 345.487 1.695 20 0 EDADHO C[C@@H]1COCCN1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009757 /nfs/dbraw/zinc/00/97/57/445009757.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 1 3 329.488 1.771 20 0 EDADHO C[C@@H]1COCCN1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000337266372 445009761 /nfs/dbraw/zinc/00/97/61/445009761.db2.gz ZCRSWAFBUREEDM-RLLQIKCJSA-N 1 3 329.488 1.771 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067508 445016929 /nfs/dbraw/zinc/01/69/29/445016929.db2.gz LBNLHMWBQCTWLM-LSDHHAIUSA-N 1 3 334.464 1.458 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067508 445016933 /nfs/dbraw/zinc/01/69/33/445016933.db2.gz LBNLHMWBQCTWLM-LSDHHAIUSA-N 1 3 334.464 1.458 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(CC(=O)NC3CCN(C4CC4)CC3)C2)C1 ZINC000339435152 445140238 /nfs/dbraw/zinc/14/02/38/445140238.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 1 3 334.508 1.147 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(CC(=O)NC3CCN(C4CC4)CC3)C2)C1 ZINC000339435152 445140242 /nfs/dbraw/zinc/14/02/42/445140242.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 1 3 334.508 1.147 20 0 EDADHO CN1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000337604978 445163212 /nfs/dbraw/zinc/16/32/12/445163212.db2.gz PJRWUARWEQYMNZ-UHFFFAOYSA-N 1 3 340.537 1.695 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343400941 445216087 /nfs/dbraw/zinc/21/60/87/445216087.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343400941 445216088 /nfs/dbraw/zinc/21/60/88/445216088.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000345765214 445198619 /nfs/dbraw/zinc/19/86/19/445198619.db2.gz YYZXYJTVFSYYJG-ZOBUZTSGSA-N 1 3 340.512 1.203 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000351879038 445351525 /nfs/dbraw/zinc/35/15/25/445351525.db2.gz IPQJKVKSCGQZQN-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO Cc1ccc(CNC(=O)C2CCN(CCOCC[NH3+])CC2)cc1F ZINC000357083411 445416180 /nfs/dbraw/zinc/41/61/80/445416180.db2.gz YSFZJHCXAMOYCN-UHFFFAOYSA-N 1 3 337.439 1.438 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523477 445423668 /nfs/dbraw/zinc/42/36/68/445423668.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 1 3 344.503 1.248 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523477 445423673 /nfs/dbraw/zinc/42/36/73/445423673.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 1 3 344.503 1.248 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000359779078 445424305 /nfs/dbraw/zinc/42/43/05/445424305.db2.gz UBSUCVXZZDULGW-VQIMIIECSA-N 1 3 344.503 1.851 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(CC2=CCCOC2)CC1 ZINC000348902366 445434245 /nfs/dbraw/zinc/43/42/45/445434245.db2.gz BNEHUPDNEHZBEI-UHFFFAOYSA-N 1 3 337.508 1.893 20 0 EDADHO COC(=O)C(C)(C)CC[NH+]1CCC(CN2CCN(C)CC2)CC1 ZINC000349061997 445492357 /nfs/dbraw/zinc/49/23/57/445492357.db2.gz KKMUSUNCZNASMS-UHFFFAOYSA-N 1 3 325.497 1.535 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357240035 445500698 /nfs/dbraw/zinc/50/06/98/445500698.db2.gz LCKNUTNDVLVJLB-IEBWSBKVSA-N 1 3 336.524 1.300 20 0 EDADHO COc1cc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1OCCN(C)C ZINC000353511940 445636286 /nfs/dbraw/zinc/63/62/86/445636286.db2.gz WCOIJKYOQLADHE-IBGZPJMESA-N 1 3 349.475 1.642 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC000362873801 445592100 /nfs/dbraw/zinc/59/21/00/445592100.db2.gz JCGATFQZVLGTHV-INIZCTEOSA-N 1 3 347.503 1.913 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357975986 445597105 /nfs/dbraw/zinc/59/71/05/445597105.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 1 3 341.544 1.290 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000357975986 445597109 /nfs/dbraw/zinc/59/71/09/445597109.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 1 3 341.544 1.290 20 0 EDADHO C[C@@H](CC(=O)OC(C)(C)C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353550256 445652846 /nfs/dbraw/zinc/65/28/46/445652846.db2.gz HDFSKSSWYFHBCB-UONOGXRCSA-N 1 3 327.469 1.284 20 0 EDADHO C[C@@H](CC(=O)OC(C)(C)C)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353550256 445652849 /nfs/dbraw/zinc/65/28/49/445652849.db2.gz HDFSKSSWYFHBCB-UONOGXRCSA-N 1 3 327.469 1.284 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358691350 445719934 /nfs/dbraw/zinc/71/99/34/445719934.db2.gz YPJHNBITPRZXAR-IEBWSBKVSA-N 1 3 348.491 1.218 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358691350 445719937 /nfs/dbraw/zinc/71/99/37/445719937.db2.gz YPJHNBITPRZXAR-IEBWSBKVSA-N 1 3 348.491 1.218 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000353683396 445705097 /nfs/dbraw/zinc/70/50/97/445705097.db2.gz FMAACUIELQPHEB-MSOLQXFVSA-N 1 3 333.476 1.458 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000358678122 445711390 /nfs/dbraw/zinc/71/13/90/445711390.db2.gz GBJRMXOOQBTCJD-IBGZPJMESA-N 1 3 348.491 1.394 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358708700 445732662 /nfs/dbraw/zinc/73/26/62/445732662.db2.gz QRCZMHGBDNFCIX-WBVHZDCISA-N 1 3 326.485 1.007 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358708700 445732664 /nfs/dbraw/zinc/73/26/64/445732664.db2.gz QRCZMHGBDNFCIX-WBVHZDCISA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000361267929 445757301 /nfs/dbraw/zinc/75/73/01/445757301.db2.gz CKTLYPFQUHORTE-QRVBRYPASA-N 1 3 338.540 1.103 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)c2ccccc2O1 ZINC000361699270 445883708 /nfs/dbraw/zinc/88/37/08/445883708.db2.gz FNRJHAZFKVTTQX-GJZGRUSLSA-N 1 3 329.444 1.732 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359060746 445919683 /nfs/dbraw/zinc/91/96/83/445919683.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 1 3 342.528 1.907 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359060746 445919688 /nfs/dbraw/zinc/91/96/88/445919688.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 1 3 342.528 1.907 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000582726714 325913091 /nfs/dbraw/zinc/91/30/91/325913091.db2.gz FJCQUYDWLNRIKB-UETVFIHBSA-N 1 3 344.459 1.369 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CCCO1 ZINC000372965932 445948305 /nfs/dbraw/zinc/94/83/05/445948305.db2.gz FDVBHQJXWONJLF-ZACQAIPSSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)CCCO1 ZINC000372965932 445948311 /nfs/dbraw/zinc/94/83/11/445948311.db2.gz FDVBHQJXWONJLF-ZACQAIPSSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000354224701 446021820 /nfs/dbraw/zinc/02/18/20/446021820.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 1 3 336.524 1.534 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1C ZINC000354224701 446021825 /nfs/dbraw/zinc/02/18/25/446021825.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 1 3 336.524 1.534 20 0 EDADHO O[C@@H](COc1ccccc1)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359201264 446029262 /nfs/dbraw/zinc/02/92/62/446029262.db2.gz ZJVIGQCOXZERJZ-LJQANCHMSA-N 1 3 347.503 1.434 20 0 EDADHO C[C@H](CN1CCCC1=O)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582898996 325953253 /nfs/dbraw/zinc/95/32/53/325953253.db2.gz IONWXVCTHMMHDB-ALKREAHSSA-N 1 3 329.444 1.843 20 0 EDADHO CCCCOC[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000366133609 446034320 /nfs/dbraw/zinc/03/43/20/446034320.db2.gz YGTRYPHUWWXUJM-KZNAEPCWSA-N 1 3 327.513 1.122 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584290030 326236453 /nfs/dbraw/zinc/23/64/53/326236453.db2.gz XQKWOLGQRSASMT-WPECMILSSA-N 1 3 335.492 1.367 20 0 EDADHO CN1CC=C(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000373227441 446105301 /nfs/dbraw/zinc/10/53/01/446105301.db2.gz JQEAIYUSTIMFAP-UHFFFAOYSA-N 1 3 349.523 1.106 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000373306084 446156602 /nfs/dbraw/zinc/15/66/02/446156602.db2.gz TXSBQHJVZCGPJD-UHFFFAOYSA-N 1 3 337.537 1.728 20 0 EDADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NC1CC[NH+](C)CC1 ZINC000373544270 446254866 /nfs/dbraw/zinc/25/48/66/446254866.db2.gz ICPLYIYGBIOIFV-WMZOPIPTSA-N 1 3 345.491 1.810 20 0 EDADHO CC(C)n1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000366728631 446325703 /nfs/dbraw/zinc/32/57/03/446325703.db2.gz SLNZNZHNCCNYCK-UHFFFAOYSA-N 1 3 348.495 2.144 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000417730693 446371434 /nfs/dbraw/zinc/37/14/34/446371434.db2.gz DWFHQQROAQVIFV-HNNXBMFYSA-N 1 3 330.476 1.337 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374880141 446431181 /nfs/dbraw/zinc/43/11/81/446431181.db2.gz KUHAGWCPPMNVDF-OWCLPIDISA-N 1 3 337.464 1.483 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417981812 446406743 /nfs/dbraw/zinc/40/67/43/446406743.db2.gz ANVDCYOAONQWHZ-QAPCUYQASA-N 1 3 346.475 1.052 20 0 EDADHO C[C@H](NC(=O)N1CCCNCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418005328 446413571 /nfs/dbraw/zinc/41/35/71/446413571.db2.gz KXAKPUJPXQYSNY-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](NC(=O)N1CCCNCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418005328 446413573 /nfs/dbraw/zinc/41/35/73/446413573.db2.gz KXAKPUJPXQYSNY-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012439 446415694 /nfs/dbraw/zinc/41/56/94/446415694.db2.gz LXTLCYQYBDOOGD-ONIAQPFYSA-N 1 3 330.476 1.886 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)ccc1CN(C)C ZINC000411187526 446422178 /nfs/dbraw/zinc/42/21/78/446422178.db2.gz BELUGKZDFHDOHH-CQSZACIVSA-N 1 3 334.464 1.452 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN(C)CC1 ZINC000418195751 446455527 /nfs/dbraw/zinc/45/55/27/446455527.db2.gz GKRWQYAEKLQJIS-ZIAGYGMSSA-N 1 3 328.526 1.631 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319908 446485424 /nfs/dbraw/zinc/48/54/24/446485424.db2.gz AXDKDHRJNXZAPP-ZWKOTPCHSA-N 1 3 345.487 1.771 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418290640 446486456 /nfs/dbraw/zinc/48/64/56/446486456.db2.gz SESOTVIKYUXTJV-UHFFFAOYSA-N 1 3 339.528 1.045 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339512 446509723 /nfs/dbraw/zinc/50/97/23/446509723.db2.gz LXHJTXJQHCMGNR-JKSUJKDBSA-N 1 3 345.443 1.353 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329726 446498877 /nfs/dbraw/zinc/49/88/77/446498877.db2.gz OVOOHIXTJXLLGX-LSDHHAIUSA-N 1 3 337.414 1.903 20 0 EDADHO C[C@H](C1CC1)N(C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385459 446560877 /nfs/dbraw/zinc/56/08/77/446560877.db2.gz GWVCQRHCAMUELC-OLMNPRSZSA-N 1 3 347.503 1.476 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423403587 446519661 /nfs/dbraw/zinc/51/96/61/446519661.db2.gz YPOCYBPFNJTGFI-IAGOWNOFSA-N 1 3 333.476 1.940 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418386739 446522507 /nfs/dbraw/zinc/52/25/07/446522507.db2.gz LUSZFZBMWJFDLA-CYBMUJFWSA-N 1 3 342.434 1.894 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000418394497 446525978 /nfs/dbraw/zinc/52/59/78/446525978.db2.gz ZMKFQMAUCCTBQZ-BBWFWOEESA-N 1 3 333.480 1.699 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418392836 446526212 /nfs/dbraw/zinc/52/62/12/446526212.db2.gz ZYCIMHNWRKKLRE-OAHLLOKOSA-N 1 3 340.418 1.790 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433151844 446538732 /nfs/dbraw/zinc/53/87/32/446538732.db2.gz PENFIKFPUDAXQY-HLLBOEOZSA-N 1 3 325.497 1.565 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418501705 446567874 /nfs/dbraw/zinc/56/78/74/446567874.db2.gz RXGDGPHSKCBODY-KRWDZBQOSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000418460677 446552109 /nfs/dbraw/zinc/55/21/09/446552109.db2.gz KOPQQWPKBCRQQV-RHSMWYFYSA-N 1 3 334.464 1.352 20 0 EDADHO CC(C)N(C(=O)CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393377 446568174 /nfs/dbraw/zinc/56/81/74/446568174.db2.gz QJMKMHSLRZRENQ-DLBZAZTESA-N 1 3 325.497 1.850 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)[C@H]3C2)CC1 ZINC000375059964 446554039 /nfs/dbraw/zinc/55/40/39/446554039.db2.gz KZWKTBXFWQJTMT-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000420379372 446554609 /nfs/dbraw/zinc/55/46/09/446554609.db2.gz VMEDAKNHYGFWBS-CQSZACIVSA-N 1 3 329.452 1.025 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418510841 446572737 /nfs/dbraw/zinc/57/27/37/446572737.db2.gz QQGROTDTVHMFQL-KRWDZBQOSA-N 1 3 340.512 1.520 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517615 446576757 /nfs/dbraw/zinc/57/67/57/446576757.db2.gz ZPIXALNKBJHRLM-GOSISDBHSA-N 1 3 334.464 1.004 20 0 EDADHO C[C@@H](CNC(=O)N1CCN2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000375166621 446618717 /nfs/dbraw/zinc/61/87/17/446618717.db2.gz KADHQXMCOOQOQC-INIZCTEOSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H](CNC(=O)N1CCN2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000375166621 446618724 /nfs/dbraw/zinc/61/87/24/446618724.db2.gz KADHQXMCOOQOQC-INIZCTEOSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000418549081 446589854 /nfs/dbraw/zinc/58/98/54/446589854.db2.gz SMVLSTPFKHRGAP-WMZOPIPTSA-N 1 3 330.476 1.759 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)N(C)C1 ZINC000418666287 446640448 /nfs/dbraw/zinc/64/04/48/446640448.db2.gz FTYZDELXEUCLJV-BZSNNMDCSA-N 1 3 348.491 1.827 20 0 EDADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C[C@@H](C)C1 ZINC000418741274 446664073 /nfs/dbraw/zinc/66/40/73/446664073.db2.gz AJYCOXGHACLXEY-RFQIPJPRSA-N 1 3 330.423 1.355 20 0 EDADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C[C@@H](C)C1 ZINC000418741274 446664079 /nfs/dbraw/zinc/66/40/79/446664079.db2.gz AJYCOXGHACLXEY-RFQIPJPRSA-N 1 3 330.423 1.355 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418754914 446673808 /nfs/dbraw/zinc/67/38/08/446673808.db2.gz IBUYOJPLYMJXPJ-KGLIPLIRSA-N 1 3 330.423 1.357 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418754914 446673814 /nfs/dbraw/zinc/67/38/14/446673814.db2.gz IBUYOJPLYMJXPJ-KGLIPLIRSA-N 1 3 330.423 1.357 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632675 446623670 /nfs/dbraw/zinc/62/36/70/446623670.db2.gz WCWJKDKHXYFERJ-RDJZCZTQSA-N 1 3 333.480 1.685 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418776609 446695631 /nfs/dbraw/zinc/69/56/31/446695631.db2.gz UHROQENQWFMSBY-HNNXBMFYSA-N 1 3 347.463 1.454 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000418780790 446698622 /nfs/dbraw/zinc/69/86/22/446698622.db2.gz CGFVWOZECRSSQJ-WBVHZDCISA-N 1 3 348.491 1.896 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000418874088 446766081 /nfs/dbraw/zinc/76/60/81/446766081.db2.gz ZBBJFEHXAUGAQD-CABCVRRESA-N 1 3 340.512 1.117 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368374539 446819591 /nfs/dbraw/zinc/81/95/91/446819591.db2.gz IMTNYFBCZKXXQB-FUHWJXTLSA-N 1 3 328.460 1.019 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419080380 446911372 /nfs/dbraw/zinc/91/13/72/446911372.db2.gz PEAOUIRCXUKSFI-HOTGVXAUSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@@H]1CN(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)CCO1 ZINC000375593338 446911699 /nfs/dbraw/zinc/91/16/99/446911699.db2.gz XJNQIKLXQZGPPD-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@@H]1CN(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)CCO1 ZINC000375593338 446911705 /nfs/dbraw/zinc/91/17/05/446911705.db2.gz XJNQIKLXQZGPPD-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)CC1 ZINC000375597830 446914574 /nfs/dbraw/zinc/91/45/74/446914574.db2.gz LOSHUZMWYPDXDC-KSZLIROESA-N 1 3 336.524 1.521 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)CC1 ZINC000375597830 446914579 /nfs/dbraw/zinc/91/45/79/446914579.db2.gz LOSHUZMWYPDXDC-KSZLIROESA-N 1 3 336.524 1.521 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)C12CCCN1CCC2 ZINC000377096405 446916764 /nfs/dbraw/zinc/91/67/64/446916764.db2.gz ANPZDLYORBQLKM-UHFFFAOYSA-N 1 3 335.492 1.766 20 0 EDADHO CN1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991517 /nfs/dbraw/zinc/99/15/17/446991517.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 1 3 342.487 1.854 20 0 EDADHO CN1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991521 /nfs/dbraw/zinc/99/15/21/446991521.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 1 3 342.487 1.854 20 0 EDADHO CNC(=O)c1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000372367315 447050514 /nfs/dbraw/zinc/05/05/14/447050514.db2.gz GIDZRVSWTUXHBP-SFHVURJKSA-N 1 3 344.503 1.506 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112291 /nfs/dbraw/zinc/11/22/91/447112291.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 1 3 345.491 1.858 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112297 /nfs/dbraw/zinc/11/22/97/447112297.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 1 3 345.491 1.858 20 0 EDADHO CCN1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000413224235 447078345 /nfs/dbraw/zinc/07/83/45/447078345.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 1 3 344.503 1.944 20 0 EDADHO CCN1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000413224235 447078352 /nfs/dbraw/zinc/07/83/52/447078352.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 1 3 344.503 1.944 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189625 447093852 /nfs/dbraw/zinc/09/38/52/447093852.db2.gz VWXDOGIDUYSTQZ-DAXOMENPSA-N 1 3 329.510 1.072 20 0 EDADHO C[C@@H](CN1CCOCC1)[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368822010 447135474 /nfs/dbraw/zinc/13/54/74/447135474.db2.gz JRDYJLJGLZIATD-SFHVURJKSA-N 1 3 338.540 1.057 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3ccnc(N(C)C)n3)CC2)CC1 ZINC000421368102 447142962 /nfs/dbraw/zinc/14/29/62/447142962.db2.gz FVUHVMDLUOXXAG-UHFFFAOYSA-N 1 3 346.523 1.535 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419401976 447153126 /nfs/dbraw/zinc/15/31/26/447153126.db2.gz BQONHJYVOWXIEF-OAHLLOKOSA-N 1 3 338.496 1.002 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000375973084 447184491 /nfs/dbraw/zinc/18/44/91/447184491.db2.gz HIIAKIFBUFSXKW-BFYDXBDKSA-N 1 3 333.480 1.485 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000375973088 447185707 /nfs/dbraw/zinc/18/57/07/447185707.db2.gz HIIAKIFBUFSXKW-INMHGKMJSA-N 1 3 333.480 1.485 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000458810977 447479487 /nfs/dbraw/zinc/47/94/87/447479487.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000458810977 447479493 /nfs/dbraw/zinc/47/94/93/447479493.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO COCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006662 447490086 /nfs/dbraw/zinc/49/00/86/447490086.db2.gz XAAXCNXMXKQFPV-FUHWJXTLSA-N 1 3 345.487 1.639 20 0 EDADHO CCOC(=O)C1CCC(O)(C[NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000391493216 447515106 /nfs/dbraw/zinc/51/51/06/447515106.db2.gz FPMXCJBRVZMSDO-HJOIGYKYSA-N 1 3 326.481 1.792 20 0 EDADHO CCOC(=O)C1CCC(O)(CNC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000391493216 447515113 /nfs/dbraw/zinc/51/51/13/447515113.db2.gz FPMXCJBRVZMSDO-HJOIGYKYSA-N 1 3 326.481 1.792 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404200375 447595496 /nfs/dbraw/zinc/59/54/96/447595496.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 1 3 347.503 1.274 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000404200375 447595503 /nfs/dbraw/zinc/59/55/03/447595503.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 1 3 347.503 1.274 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000457639757 447606281 /nfs/dbraw/zinc/60/62/81/447606281.db2.gz PSRCGELKPRIWQH-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000457639757 447606284 /nfs/dbraw/zinc/60/62/84/447606284.db2.gz PSRCGELKPRIWQH-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1 ZINC000416851892 447697221 /nfs/dbraw/zinc/69/72/21/447697221.db2.gz RWVHNXRWQYMKJP-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO COc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776784 447748056 /nfs/dbraw/zinc/74/80/56/447748056.db2.gz DLWJRPNDIZLTMP-RCCFBDPRSA-N 1 3 334.460 1.993 20 0 EDADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(N2CCOCC2)c1 ZINC000422849278 447768438 /nfs/dbraw/zinc/76/84/38/447768438.db2.gz BTPSFLPDXXSXBQ-BPQIPLTHSA-N 1 3 333.476 1.674 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914895 447771647 /nfs/dbraw/zinc/77/16/47/447771647.db2.gz WKKWPFMIXMRMLT-LPHOPBHVSA-N 1 3 344.503 1.600 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422966348 447782828 /nfs/dbraw/zinc/78/28/28/447782828.db2.gz RBPMGMKYMUFFRN-HOCLYGCPSA-N 1 3 331.526 1.544 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051834 447798652 /nfs/dbraw/zinc/79/86/52/447798652.db2.gz OGSYKAVBSMOMPZ-LSDHHAIUSA-N 1 3 328.478 1.501 20 0 EDADHO O=C(CCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccccc1 ZINC000576029822 447953494 /nfs/dbraw/zinc/95/34/94/447953494.db2.gz BRTJEZBHMAHLLY-QZTJIDSGSA-N 1 3 331.460 1.983 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000552845105 447959470 /nfs/dbraw/zinc/95/94/70/447959470.db2.gz JPPOQVHUQSOZAI-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531064904 448013167 /nfs/dbraw/zinc/01/31/67/448013167.db2.gz SCOZGFKLAGUHLK-QUCCMNQESA-N 1 3 345.487 1.566 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000525228536 447980730 /nfs/dbraw/zinc/98/07/30/447980730.db2.gz IHGMTTRLJNOKJA-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000525228536 447980735 /nfs/dbraw/zinc/98/07/35/447980735.db2.gz IHGMTTRLJNOKJA-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553578336 447998763 /nfs/dbraw/zinc/99/87/63/447998763.db2.gz RLVFENZUHMOTRY-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000553578336 447998767 /nfs/dbraw/zinc/99/87/67/447998767.db2.gz RLVFENZUHMOTRY-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224468 447968106 /nfs/dbraw/zinc/96/81/06/447968106.db2.gz VDADWEAXMGYCJU-YJBOKZPZSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224468 447968109 /nfs/dbraw/zinc/96/81/09/447968109.db2.gz VDADWEAXMGYCJU-YJBOKZPZSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000525882533 448047265 /nfs/dbraw/zinc/04/72/65/448047265.db2.gz JITZSASHBZBCKV-UHFFFAOYSA-N 1 3 340.855 1.230 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000502763757 448105867 /nfs/dbraw/zinc/10/58/67/448105867.db2.gz WGLFKHGBNCAERG-PVAVHDDUSA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570050 448107717 /nfs/dbraw/zinc/10/77/17/448107717.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 1 3 343.471 1.222 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570050 448107721 /nfs/dbraw/zinc/10/77/21/448107721.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 1 3 343.471 1.222 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571169305 448117391 /nfs/dbraw/zinc/11/73/91/448117391.db2.gz MQLUUJBKKGOPJE-MSOLQXFVSA-N 1 3 349.519 1.870 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNCCC(=O)NC(N)=O)C1 ZINC000582415129 448229523 /nfs/dbraw/zinc/22/95/23/448229523.db2.gz ANHKJYXKUZDKJY-GASCZTMLSA-N 1 3 346.475 1.839 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCCC(=O)NC(N)=O)C1 ZINC000582415129 448229530 /nfs/dbraw/zinc/22/95/30/448229530.db2.gz ANHKJYXKUZDKJY-GASCZTMLSA-N 1 3 346.475 1.839 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(CN(C)C)CCCC2)C[C@H](C)O1 ZINC000577172974 448224173 /nfs/dbraw/zinc/22/41/73/448224173.db2.gz OQVYLAUUYSVPFB-BBWFWOEESA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172974 448224174 /nfs/dbraw/zinc/22/41/74/448224174.db2.gz OQVYLAUUYSVPFB-BBWFWOEESA-N 1 3 327.513 1.168 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562197491 448242669 /nfs/dbraw/zinc/24/26/69/448242669.db2.gz PQBWHYKQHBZNNO-UHFFFAOYSA-N 1 3 336.484 1.784 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000572014052 448264662 /nfs/dbraw/zinc/26/46/62/448264662.db2.gz MMFKRJJNGFSYIR-YOEHRIQHSA-N 1 3 331.464 1.595 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)CC1 ZINC000583000689 448399672 /nfs/dbraw/zinc/39/96/72/448399672.db2.gz UORCIEOYLUMZDU-HNNXBMFYSA-N 1 3 342.447 1.086 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000572596066 448417057 /nfs/dbraw/zinc/41/70/57/448417057.db2.gz FNQATNRBFSRNSN-QAPCUYQASA-N 1 3 334.460 1.813 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@H](C)O1 ZINC000578130682 448468530 /nfs/dbraw/zinc/46/85/30/448468530.db2.gz XELZRWGLVVHTFB-IYBDPMFKSA-N 1 3 325.497 1.853 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210866 448486435 /nfs/dbraw/zinc/48/64/35/448486435.db2.gz GNFBETHXOBIHPL-SJLPKXTDSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210866 448486438 /nfs/dbraw/zinc/48/64/38/448486438.db2.gz GNFBETHXOBIHPL-SJLPKXTDSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000578210864 448486870 /nfs/dbraw/zinc/48/68/70/448486870.db2.gz GNFBETHXOBIHPL-AEFFLSMTSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000578210864 448486875 /nfs/dbraw/zinc/48/68/75/448486875.db2.gz GNFBETHXOBIHPL-AEFFLSMTSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334897 448521379 /nfs/dbraw/zinc/52/13/79/448521379.db2.gz YNWRFVRCNWQLKV-XJKSGUPXSA-N 1 3 328.526 1.501 20 0 EDADHO CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1CCOCC1 ZINC000537446543 448556670 /nfs/dbraw/zinc/55/66/70/448556670.db2.gz ZBOJXFJLDQVDRP-IRXDYDNUSA-N 1 3 327.513 1.874 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146959 448543548 /nfs/dbraw/zinc/54/35/48/448543548.db2.gz RDJSNRGXZWQUHY-CHWSQXEVSA-N 1 3 333.461 1.281 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000567102353 448613738 /nfs/dbraw/zinc/61/37/38/448613738.db2.gz YXVQWACCAYOENP-AFMYVXGZSA-N 1 3 345.487 1.612 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000567102354 448613781 /nfs/dbraw/zinc/61/37/81/448613781.db2.gz YXVQWACCAYOENP-QLOJAFMTSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000578872194 448658152 /nfs/dbraw/zinc/65/81/52/448658152.db2.gz SDJVYUGFJWRAIS-RDTXWAMCSA-N 1 3 331.460 1.827 20 0 EDADHO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1=CCN(C)CC1 ZINC000567336678 448667252 /nfs/dbraw/zinc/66/72/52/448667252.db2.gz UMHHFRUJKRSBRS-JCGIZDLHSA-N 1 3 328.460 1.692 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825602 /nfs/dbraw/zinc/82/56/02/448825602.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 1 3 327.513 1.024 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825606 /nfs/dbraw/zinc/82/56/06/448825606.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 1 3 327.513 1.024 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520415534 448896248 /nfs/dbraw/zinc/89/62/48/448896248.db2.gz PKNRGWJKIXNHRM-GOSISDBHSA-N 1 3 348.491 1.659 20 0 EDADHO O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579927452 448911300 /nfs/dbraw/zinc/91/13/00/448911300.db2.gz VGUJTGNXJRTFJF-SJORKVTESA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579927452 448911301 /nfs/dbraw/zinc/91/13/01/448911301.db2.gz VGUJTGNXJRTFJF-SJORKVTESA-N 1 3 337.508 1.604 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1ccccc1 ZINC000547787125 448929490 /nfs/dbraw/zinc/92/94/90/448929490.db2.gz GBCVNZYFJAKHEX-BSDSXHPESA-N 1 3 331.460 1.108 20 0 EDADHO Cc1[nH]nc2ncc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000520369382 448888681 /nfs/dbraw/zinc/88/86/81/448888681.db2.gz VDRAQMLYJIXZRW-IRXDYDNUSA-N 1 3 329.448 1.985 20 0 EDADHO C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCN(C2CCC2)C1 ZINC000582191139 449034208 /nfs/dbraw/zinc/03/42/08/449034208.db2.gz OHOPSOGNBFHQDM-OAHLLOKOSA-N 1 3 333.480 1.391 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958741 449082085 /nfs/dbraw/zinc/08/20/85/449082085.db2.gz IGZXNURYFSBRDR-QLFBSQMISA-N 1 3 333.480 1.712 20 0 EDADHO O=S(=O)(c1ccccc1)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000575109846 449037419 /nfs/dbraw/zinc/03/74/19/449037419.db2.gz AETUYDGHAAGYLF-MRXNPFEDSA-N 1 3 337.489 1.383 20 0 EDADHO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000595893084 449237551 /nfs/dbraw/zinc/23/75/51/449237551.db2.gz OVUMDEMKDUVJRY-RDJZCZTQSA-N 1 3 332.444 1.819 20 0 EDADHO COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000595893084 449237558 /nfs/dbraw/zinc/23/75/58/449237558.db2.gz OVUMDEMKDUVJRY-RDJZCZTQSA-N 1 3 332.444 1.819 20 0 EDADHO CC(C)OC(=O)[C@H](C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964643 449248947 /nfs/dbraw/zinc/24/89/47/449248947.db2.gz KBDFBDGNYFRENF-VQIMIIECSA-N 1 3 334.460 1.801 20 0 EDADHO CC(C)OC(=O)[C@H](C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964643 449248952 /nfs/dbraw/zinc/24/89/52/449248952.db2.gz KBDFBDGNYFRENF-VQIMIIECSA-N 1 3 334.460 1.801 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602003294 449271298 /nfs/dbraw/zinc/27/12/98/449271298.db2.gz TXECHCCCRAEIQB-OAHLLOKOSA-N 1 3 336.480 1.175 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000602117255 449358277 /nfs/dbraw/zinc/35/82/77/449358277.db2.gz FSGZMGFJYFVCCU-SFHVURJKSA-N 1 3 348.535 1.489 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000611848930 449444211 /nfs/dbraw/zinc/44/42/11/449444211.db2.gz IUIGQLRFDSJNCH-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2ccccc2n1 ZINC000617504410 449650926 /nfs/dbraw/zinc/65/09/26/449650926.db2.gz UQPYDQLYIAHWLE-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2ccccc2n1 ZINC000617504410 449650931 /nfs/dbraw/zinc/65/09/31/449650931.db2.gz UQPYDQLYIAHWLE-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617506518 449652362 /nfs/dbraw/zinc/65/23/62/449652362.db2.gz QJAPEWKMYNJPDH-HNNXBMFYSA-N 1 3 339.455 1.901 20 0 EDADHO Cc1ccc(F)c(OCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617506518 449652366 /nfs/dbraw/zinc/65/23/66/449652366.db2.gz QJAPEWKMYNJPDH-HNNXBMFYSA-N 1 3 339.455 1.901 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000617505702 449652953 /nfs/dbraw/zinc/65/29/53/449652953.db2.gz NBVDSBJWXNVJRT-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cncn2)c1 ZINC000617505702 449652958 /nfs/dbraw/zinc/65/29/58/449652958.db2.gz NBVDSBJWXNVJRT-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)OCCNC4)c21 ZINC000602551238 449669695 /nfs/dbraw/zinc/66/96/95/449669695.db2.gz OMZJZQJGKCKDCG-GFCCVEGCSA-N 1 3 341.415 1.454 20 0 EDADHO C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504024 449646624 /nfs/dbraw/zinc/64/66/24/449646624.db2.gz FOZRPPPXBDZXER-LSDHHAIUSA-N 1 3 339.455 1.981 20 0 EDADHO C[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504024 449646631 /nfs/dbraw/zinc/64/66/31/449646631.db2.gz FOZRPPPXBDZXER-LSDHHAIUSA-N 1 3 339.455 1.981 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000625426169 450354428 /nfs/dbraw/zinc/35/44/28/450354428.db2.gz VJCJQHRDMUEMCO-MRXNPFEDSA-N 1 3 339.505 1.758 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000625426169 450354430 /nfs/dbraw/zinc/35/44/30/450354430.db2.gz VJCJQHRDMUEMCO-MRXNPFEDSA-N 1 3 339.505 1.758 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000620910482 450559831 /nfs/dbraw/zinc/55/98/31/450559831.db2.gz QZZZBWZQQJEMQX-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633053946 450650263 /nfs/dbraw/zinc/65/02/63/450650263.db2.gz VRFUBIKYNASFEB-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624064651 450693325 /nfs/dbraw/zinc/69/33/25/450693325.db2.gz NDXQDNIXBUUIMP-ZWKOTPCHSA-N 1 3 333.476 1.416 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624064651 450693327 /nfs/dbraw/zinc/69/33/27/450693327.db2.gz NDXQDNIXBUUIMP-ZWKOTPCHSA-N 1 3 333.476 1.416 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000631709172 450725737 /nfs/dbraw/zinc/72/57/37/450725737.db2.gz JSUPGDGPEBKWSC-AWEZNQCLSA-N 1 3 343.493 1.217 20 0 EDADHO Nc1ncccc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629553466 450731929 /nfs/dbraw/zinc/73/19/29/450731929.db2.gz WCLGOULBFDAFDH-AWEZNQCLSA-N 1 3 341.463 1.176 20 0 EDADHO CCO[C@H](C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000629553714 450733695 /nfs/dbraw/zinc/73/36/95/450733695.db2.gz XCCKYYSEQDKBHQ-SJLPKXTDSA-N 1 3 347.507 1.814 20 0 EDADHO CCO[C@H](C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000629553714 450733697 /nfs/dbraw/zinc/73/36/97/450733697.db2.gz XCCKYYSEQDKBHQ-SJLPKXTDSA-N 1 3 347.507 1.814 20 0 EDADHO COc1ccccc1N1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629559416 450736574 /nfs/dbraw/zinc/73/65/74/450736574.db2.gz QTQCKBHUXZTKTI-IAGOWNOFSA-N 1 3 333.476 1.568 20 0 EDADHO C[NH2+]CCOCCN(C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000629568701 450740986 /nfs/dbraw/zinc/74/09/86/450740986.db2.gz LGRXMQHJBPRIKO-UHFFFAOYSA-N 1 3 331.819 1.976 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1)CN1CCCC1 ZINC000629575437 450744654 /nfs/dbraw/zinc/74/46/54/450744654.db2.gz NLTJZOBBVLASDL-RTBURBONSA-N 1 3 349.544 1.650 20 0 EDADHO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000631743668 450745150 /nfs/dbraw/zinc/74/51/50/450745150.db2.gz YXFHZDZXEGJZJZ-JKSUJKDBSA-N 1 3 331.526 1.655 20 0 EDADHO COc1ccc(F)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000621541221 450763546 /nfs/dbraw/zinc/76/35/46/450763546.db2.gz XEOIZFTVEDMGOW-UHFFFAOYSA-N 1 3 340.443 1.469 20 0 EDADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C(=O)Nc1ccccc1 ZINC000629650332 450771010 /nfs/dbraw/zinc/77/10/10/450771010.db2.gz RMYGFMYHKGLUGR-CQSZACIVSA-N 1 3 332.448 1.191 20 0 EDADHO Cc1ccc(C(=O)NC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000631877672 450840911 /nfs/dbraw/zinc/84/09/11/450840911.db2.gz FWHBOJQTFIBNNU-SFHVURJKSA-N 1 3 343.471 1.710 20 0 EDADHO CCN(CCN)C(=O)C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000629800703 450825747 /nfs/dbraw/zinc/82/57/47/450825747.db2.gz YXGJGCRXKZEZFN-UHFFFAOYSA-N 1 3 340.512 1.154 20 0 EDADHO CC[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)N(CC)CC ZINC000627739798 450909644 /nfs/dbraw/zinc/90/96/44/450909644.db2.gz RDYAIHZYJOGKFP-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO CC[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)N(CC)CC ZINC000627739798 450909649 /nfs/dbraw/zinc/90/96/49/450909649.db2.gz RDYAIHZYJOGKFP-KRWDZBQOSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629954939 450913207 /nfs/dbraw/zinc/91/32/07/450913207.db2.gz VHFPAGIPMBLUPY-IRXDYDNUSA-N 1 3 336.524 1.488 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000626888754 450985336 /nfs/dbraw/zinc/98/53/36/450985336.db2.gz XMHDFAUFXKZIOL-WMLDXEAASA-N 1 3 346.475 1.724 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000626916878 451002338 /nfs/dbraw/zinc/00/23/38/451002338.db2.gz RMYPEVRXOKFNLU-QGZVFWFLSA-N 1 3 334.464 1.359 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635559190 451058517 /nfs/dbraw/zinc/05/85/17/451058517.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 1 3 336.524 1.488 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCN1C1CCCC1 ZINC000635559190 451058524 /nfs/dbraw/zinc/05/85/24/451058524.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 1 3 336.524 1.488 20 0 EDADHO CN1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627006072 451070820 /nfs/dbraw/zinc/07/08/20/451070820.db2.gz PLRWOOHHDMTNCV-CVEARBPZSA-N 1 3 332.448 1.239 20 0 EDADHO CCO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000624937515 451070845 /nfs/dbraw/zinc/07/08/45/451070845.db2.gz YEUJNDMHVUISBM-QGZVFWFLSA-N 1 3 325.497 1.722 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000624946532 451074614 /nfs/dbraw/zinc/07/46/14/451074614.db2.gz XONVBVNTGYFFDH-YESZJQIVSA-N 1 3 338.496 1.148 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)O[C@H]3C)CC2)CC1 ZINC000634024771 451160237 /nfs/dbraw/zinc/16/02/37/451160237.db2.gz BNIKITSFLYLISN-RLFYNMQTSA-N 1 3 337.508 1.865 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214676 451191411 /nfs/dbraw/zinc/19/14/11/451191411.db2.gz WKLGCZRVJJKRSI-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CN(CCCN(C)S(=O)(=O)CCC[NH+](C)C)Cc1ccco1 ZINC000632334983 451205613 /nfs/dbraw/zinc/20/56/13/451205613.db2.gz BHLIKCHAVKLUOU-UHFFFAOYSA-N 1 3 331.482 1.315 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000635784111 451237640 /nfs/dbraw/zinc/23/76/40/451237640.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC000635784111 451237642 /nfs/dbraw/zinc/23/76/42/451237642.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 1 3 345.487 1.601 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000635787689 451240344 /nfs/dbraw/zinc/24/03/44/451240344.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000635787689 451240348 /nfs/dbraw/zinc/24/03/48/451240348.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 1 3 331.460 1.211 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111109 451277609 /nfs/dbraw/zinc/27/76/09/451277609.db2.gz BZTCDHGPOUWRAE-FUHWJXTLSA-N 1 3 335.448 1.723 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2OCC[C@@H]2N)ccc1OCC[NH+]1CCCC1 ZINC000638119310 451287739 /nfs/dbraw/zinc/28/77/39/451287739.db2.gz ONHYSNHFCFBDPX-DOTOQJQBSA-N 1 3 333.432 1.524 20 0 EDADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(F)c1 ZINC000640419493 451303972 /nfs/dbraw/zinc/30/39/72/451303972.db2.gz JWWHQIQAEMYGIR-UHFFFAOYSA-N 1 3 326.416 1.791 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)c2cccc(OC)c2)CC1 ZINC000638137206 451310305 /nfs/dbraw/zinc/31/03/05/451310305.db2.gz GWFLYROVPFKZKH-QAPCUYQASA-N 1 3 348.491 1.085 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636588075 451329065 /nfs/dbraw/zinc/32/90/65/451329065.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000636588075 451329069 /nfs/dbraw/zinc/32/90/69/451329069.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 1 3 346.475 1.017 20 0 EDADHO O[C@]1(C[NH2+]CCCCN2CCOCC2)CCN(Cc2ccccc2)C1 ZINC000634642721 451435952 /nfs/dbraw/zinc/43/59/52/451435952.db2.gz PKTRYBTUHSFCRO-FQEVSTJZSA-N 1 3 347.503 1.325 20 0 EDADHO C[C@H]1CCCN(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634643105 451436144 /nfs/dbraw/zinc/43/61/44/451436144.db2.gz WJBPJIBHWMIOOU-ICSRJNTNSA-N 1 3 331.504 1.945 20 0 EDADHO CC(C)CC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638405965 451493773 /nfs/dbraw/zinc/49/37/73/451493773.db2.gz HTDBCVZNMUWMSB-MSOLQXFVSA-N 1 3 333.476 1.633 20 0 EDADHO CC(C)CC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638405965 451493778 /nfs/dbraw/zinc/49/37/78/451493778.db2.gz HTDBCVZNMUWMSB-MSOLQXFVSA-N 1 3 333.476 1.633 20 0 EDADHO C[C@](O)(C[C@@H](O)CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711238 451491580 /nfs/dbraw/zinc/49/15/80/451491580.db2.gz LRLFHDGWTBHDQV-AQNXPRMDSA-N 1 3 348.487 1.255 20 0 EDADHO C[C@](O)(C[C@@H](O)CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711238 451491583 /nfs/dbraw/zinc/49/15/83/451491583.db2.gz LRLFHDGWTBHDQV-AQNXPRMDSA-N 1 3 348.487 1.255 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)NC2CCCCC2)CC1 ZINC000638403846 451492689 /nfs/dbraw/zinc/49/26/89/451492689.db2.gz WBVPOOTWISZGIO-UHFFFAOYSA-N 1 3 325.497 1.650 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000636024563 451446703 /nfs/dbraw/zinc/44/67/03/451446703.db2.gz UECPDODKXBTUJC-UHFFFAOYSA-N 1 3 335.448 1.916 20 0 EDADHO OC[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719747 451500145 /nfs/dbraw/zinc/50/01/45/451500145.db2.gz YHJBLBIBZUBYND-QUCCMNQESA-N 1 3 344.455 1.657 20 0 EDADHO OC[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000634719747 451500147 /nfs/dbraw/zinc/50/01/47/451500147.db2.gz YHJBLBIBZUBYND-QUCCMNQESA-N 1 3 344.455 1.657 20 0 EDADHO O=C(c1cc2c(s1)CCNC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638786892 451691984 /nfs/dbraw/zinc/69/19/84/451691984.db2.gz RNXMVEJGRIVKTP-HNNXBMFYSA-N 1 3 349.500 1.625 20 0 EDADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442782 451709798 /nfs/dbraw/zinc/70/97/98/451709798.db2.gz TXEYYLSZHJGEIL-MSOLQXFVSA-N 1 3 346.475 1.189 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000638728283 451668039 /nfs/dbraw/zinc/66/80/39/451668039.db2.gz MJIPULPMDFHTQQ-ZWKOTPCHSA-N 1 3 349.519 1.726 20 0 EDADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc2c(s1)CCNC2 ZINC000638985984 451746425 /nfs/dbraw/zinc/74/64/25/451746425.db2.gz QLRXYYNNUHYESN-UHFFFAOYSA-N 1 3 343.456 1.451 20 0 EDADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638987493 451747925 /nfs/dbraw/zinc/74/79/25/451747925.db2.gz ROADNQPSGHOXOT-KBMXLJTQSA-N 1 3 329.448 1.350 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637263512 451773889 /nfs/dbraw/zinc/77/38/89/451773889.db2.gz HCXKUFJDNHHEQI-NUEKZKHPSA-N 1 3 326.485 1.125 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637263512 451773891 /nfs/dbraw/zinc/77/38/91/451773891.db2.gz HCXKUFJDNHHEQI-NUEKZKHPSA-N 1 3 326.485 1.125 20 0 EDADHO COc1cc(C[C@H](C)NCC(=O)NCC[NH+]2CCCCCC2)ccn1 ZINC000639204492 451791498 /nfs/dbraw/zinc/79/14/98/451791498.db2.gz APWMVCLWQIXVAB-INIZCTEOSA-N 1 3 348.491 1.603 20 0 EDADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000649071955 451808573 /nfs/dbraw/zinc/80/85/73/451808573.db2.gz VMRCZZSBMLNGKM-OAHLLOKOSA-N 1 3 338.496 1.219 20 0 EDADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000649071955 451808575 /nfs/dbraw/zinc/80/85/75/451808575.db2.gz VMRCZZSBMLNGKM-OAHLLOKOSA-N 1 3 338.496 1.219 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(CO)CCc3ccccc32)CC1 ZINC000639291212 451811599 /nfs/dbraw/zinc/81/15/99/451811599.db2.gz WWHBSSAUBDFTIT-HXUWFJFHSA-N 1 3 332.488 1.688 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cscn3)CC2)CC1 ZINC000646784114 451837481 /nfs/dbraw/zinc/83/74/81/451837481.db2.gz BMWFXSUEADAJCE-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO CC(C)[NH+](CCCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581367 451873582 /nfs/dbraw/zinc/87/35/82/451873582.db2.gz GHOCPGRSLGZRTQ-FGTMMUONSA-N 1 3 329.529 1.555 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000644583802 451878024 /nfs/dbraw/zinc/87/80/24/451878024.db2.gz LVIKILNEECLMEF-OKZBNKHCSA-N 1 3 349.475 1.847 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCCCN1CCO ZINC000637469929 451886780 /nfs/dbraw/zinc/88/67/80/451886780.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CCCCN1CCO ZINC000637469929 451886781 /nfs/dbraw/zinc/88/67/81/451886781.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000649268403 451941381 /nfs/dbraw/zinc/94/13/81/451941381.db2.gz BGGXTAPPTXRPQO-PKOBYXMFSA-N 1 3 333.476 1.954 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1cccc(OC)c1 ZINC000649282841 451956194 /nfs/dbraw/zinc/95/61/94/451956194.db2.gz LJOJPSUXUOYTRU-FUHWJXTLSA-N 1 3 349.475 1.430 20 0 EDADHO COc1cc(CNC(=O)C[C@H]([NH3+])C(C)C)ccc1OCCN(C)C ZINC000649302053 451977911 /nfs/dbraw/zinc/97/79/11/451977911.db2.gz PPFZGZLLKAIPGF-HNNXBMFYSA-N 1 3 337.464 1.625 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2[C@H](C)CCC[C@H]2C)cnn1C ZINC000649318905 451998467 /nfs/dbraw/zinc/99/84/67/451998467.db2.gz URCCNVQWFIKPOA-DTDBQYNISA-N 1 3 347.507 1.411 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000649344429 452024684 /nfs/dbraw/zinc/02/46/84/452024684.db2.gz XNZZRYFSSGEZLF-UONOGXRCSA-N 1 3 333.423 1.191 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000643067083 452030515 /nfs/dbraw/zinc/03/05/15/452030515.db2.gz XQXGEPMSDXVXDB-CGTJXYLNSA-N 1 3 330.476 1.089 20 0 EDADHO O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N1CCCNCC1 ZINC000637803878 452089884 /nfs/dbraw/zinc/08/98/84/452089884.db2.gz QFQJRXFHFPHEAI-ICSRJNTNSA-N 1 3 343.471 1.347 20 0 EDADHO O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N1CCCNCC1 ZINC000637803878 452089892 /nfs/dbraw/zinc/08/98/92/452089892.db2.gz QFQJRXFHFPHEAI-ICSRJNTNSA-N 1 3 343.471 1.347 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N3CCCC[C@@H]3C[NH3+])ccc2[nH]c1=O ZINC000637817565 452098018 /nfs/dbraw/zinc/09/80/18/452098018.db2.gz VKZXVTMXNAIBMN-CQSZACIVSA-N 1 3 345.447 1.257 20 0 EDADHO COC[C@@H]1C[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651937576 452179920 /nfs/dbraw/zinc/17/99/20/452179920.db2.gz PBKDXRORFKTCSK-ZWKOTPCHSA-N 1 3 334.460 1.743 20 0 EDADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643533978 452298310 /nfs/dbraw/zinc/29/83/10/452298310.db2.gz IWIGYNMPGFRAEG-CZUORRHYSA-N 1 3 337.489 1.730 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H](C)C1 ZINC000659456981 452308594 /nfs/dbraw/zinc/30/85/94/452308594.db2.gz VELKPRBCPUPGOC-KLHDSHLOSA-N 1 3 344.475 1.204 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H](C)C1 ZINC000659456981 452308599 /nfs/dbraw/zinc/30/85/99/452308599.db2.gz VELKPRBCPUPGOC-KLHDSHLOSA-N 1 3 344.475 1.204 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659463688 452320655 /nfs/dbraw/zinc/32/06/55/452320655.db2.gz ZACPYZYLQFSPHK-MRXNPFEDSA-N 1 3 328.501 1.548 20 0 EDADHO CCCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCN(C)C1 ZINC000645343902 452322709 /nfs/dbraw/zinc/32/27/09/452322709.db2.gz SCJSPQIELZOBJR-GOEBONIOSA-N 1 3 328.526 1.549 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCCOC1 ZINC000638052284 452326416 /nfs/dbraw/zinc/32/64/16/452326416.db2.gz ZHLIOTRCLLFZMZ-RHSMWYFYSA-N 1 3 337.489 1.757 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(CCO)CC1 ZINC000665757883 452326946 /nfs/dbraw/zinc/32/69/46/452326946.db2.gz ZCYKJDUWUNALOS-HNNXBMFYSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCC(C)CC1 ZINC000665764497 452348102 /nfs/dbraw/zinc/34/81/02/452348102.db2.gz GVMRHGVJHDMQKX-PQUAAJSLSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCC(C)CC1 ZINC000665764497 452348113 /nfs/dbraw/zinc/34/81/13/452348113.db2.gz GVMRHGVJHDMQKX-PQUAAJSLSA-N 1 3 342.528 1.499 20 0 EDADHO CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764164 452349361 /nfs/dbraw/zinc/34/93/61/452349361.db2.gz WFYUJYKSVVGYGW-JKSUJKDBSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@@H]1COC(C)(C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764164 452349369 /nfs/dbraw/zinc/34/93/69/452349369.db2.gz WFYUJYKSVVGYGW-JKSUJKDBSA-N 1 3 342.528 1.857 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000638079195 452393320 /nfs/dbraw/zinc/39/33/20/452393320.db2.gz COOKLBLJPSJLDV-LJQANCHMSA-N 1 3 341.455 1.813 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000638079195 452393330 /nfs/dbraw/zinc/39/33/30/452393330.db2.gz COOKLBLJPSJLDV-LJQANCHMSA-N 1 3 341.455 1.813 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659535748 452395725 /nfs/dbraw/zinc/39/57/25/452395725.db2.gz KSDYEDBIFSGZBM-SFHVURJKSA-N 1 3 345.491 1.735 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCCO3)CC2)CC1 ZINC000654443660 452503758 /nfs/dbraw/zinc/50/37/58/452503758.db2.gz WBRYSGDLXHPBIU-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000652338205 452508551 /nfs/dbraw/zinc/50/85/51/452508551.db2.gz JPDXKEOCCJGDQP-JSGCOSHPSA-N 1 3 339.402 1.080 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000652338205 452508558 /nfs/dbraw/zinc/50/85/58/452508558.db2.gz JPDXKEOCCJGDQP-JSGCOSHPSA-N 1 3 339.402 1.080 20 0 EDADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347265 452522602 /nfs/dbraw/zinc/52/26/02/452522602.db2.gz XFIZOLKFJLSLHY-NXOAAHMSSA-N 1 3 325.497 1.900 20 0 EDADHO COC[C@@H](CC1CCOCC1)[NH2+]CCCN1CCCN(C)CC1 ZINC000657874213 452584737 /nfs/dbraw/zinc/58/47/37/452584737.db2.gz YKDHNNWHSVDMEI-GOSISDBHSA-N 1 3 327.513 1.435 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000645621464 452617342 /nfs/dbraw/zinc/61/73/42/452617342.db2.gz FYWUHXQHFZSMNE-DOTOQJQBSA-N 1 3 344.459 1.158 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659725519 452618907 /nfs/dbraw/zinc/61/89/07/452618907.db2.gz XUXDDJXDFMDULQ-CJNGLKHVSA-N 1 3 346.475 1.312 20 0 EDADHO C[NH+](C)CC(C)(C)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666148156 452640750 /nfs/dbraw/zinc/64/07/50/452640750.db2.gz WNJUMAWRAWGWQU-UHFFFAOYSA-N 1 3 347.507 1.933 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655911705 452668706 /nfs/dbraw/zinc/66/87/06/452668706.db2.gz LWPMGUHUOJOULV-JHJVBQTASA-N 1 3 338.418 1.933 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)COC)CC2)CC1 ZINC000654607572 452695129 /nfs/dbraw/zinc/69/51/29/452695129.db2.gz OQMZKTQBTDWWET-OAHLLOKOSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658134647 452746579 /nfs/dbraw/zinc/74/65/79/452746579.db2.gz BBFOKLZIPYXCSN-BEFAXECRSA-N 1 3 326.444 1.764 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)Nc1ccnn1CCN(C)C ZINC000652607766 452767699 /nfs/dbraw/zinc/76/76/99/452767699.db2.gz ZJVGLLKXWIUFCC-UHFFFAOYSA-N 1 3 330.436 1.486 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035016 452771801 /nfs/dbraw/zinc/77/18/01/452771801.db2.gz OWPLOLKHVNTZTQ-SJORKVTESA-N 1 3 334.512 1.273 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035016 452771807 /nfs/dbraw/zinc/77/18/07/452771807.db2.gz OWPLOLKHVNTZTQ-SJORKVTESA-N 1 3 334.512 1.273 20 0 EDADHO Cc1cnc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000654670667 452783901 /nfs/dbraw/zinc/78/39/01/452783901.db2.gz ONBYGUCJAOJXOU-UHFFFAOYSA-N 1 3 335.496 1.376 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1 ZINC000664110214 452796619 /nfs/dbraw/zinc/79/66/19/452796619.db2.gz UQOPOKFPPDIQKY-PVAVHDDUSA-N 1 3 348.491 1.432 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cn1 ZINC000645803431 452802647 /nfs/dbraw/zinc/80/26/47/452802647.db2.gz ZYCRRCDDIQPMCW-GOSISDBHSA-N 1 3 327.432 1.315 20 0 EDADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CNCCC1(F)F ZINC000648177310 452889930 /nfs/dbraw/zinc/88/99/30/452889930.db2.gz RYQPHICXWFWSJR-SNVBAGLBSA-N 1 3 330.404 1.793 20 0 EDADHO CN1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H](Cc2ccccc2)C1 ZINC000650720267 452950507 /nfs/dbraw/zinc/95/05/07/452950507.db2.gz KDPVPSIERFPWIW-OALUTQOASA-N 1 3 344.503 1.042 20 0 EDADHO CN1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)[C@@H](Cc2ccccc2)C1 ZINC000650720267 452950509 /nfs/dbraw/zinc/95/05/09/452950509.db2.gz KDPVPSIERFPWIW-OALUTQOASA-N 1 3 344.503 1.042 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C(C)(C)O)CC2)CC1 ZINC000654850277 452973753 /nfs/dbraw/zinc/97/37/53/452973753.db2.gz KECKJLRPRIIJEC-CQSZACIVSA-N 1 3 325.497 1.458 20 0 EDADHO CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666610305 453009044 /nfs/dbraw/zinc/00/90/44/453009044.db2.gz VAUSHQJBJIVPDW-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284564 453009498 /nfs/dbraw/zinc/00/94/98/453009498.db2.gz NLQJCNHSTUMOGG-RRFJBIMHSA-N 1 3 336.484 1.331 20 0 EDADHO O=C(CC[NH2+]C1(CO)CCNCC1)Nc1cccc2ccccc21 ZINC000662286051 453009726 /nfs/dbraw/zinc/00/97/26/453009726.db2.gz RYWQKZJDXLTFLR-UHFFFAOYSA-N 1 3 327.428 1.873 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000664406105 453067141 /nfs/dbraw/zinc/06/71/41/453067141.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 1 3 339.528 1.040 20 0 EDADHO C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000660156861 453090499 /nfs/dbraw/zinc/09/04/99/453090499.db2.gz SCZJMAIVEAJXSA-RHQZKXFESA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000660156861 453090507 /nfs/dbraw/zinc/09/05/07/453090507.db2.gz SCZJMAIVEAJXSA-RHQZKXFESA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@H]1N1CCN(C)CC1 ZINC000660156861 453090512 /nfs/dbraw/zinc/09/05/12/453090512.db2.gz SCZJMAIVEAJXSA-RHQZKXFESA-N 1 3 348.535 1.392 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000662390535 453100808 /nfs/dbraw/zinc/10/08/08/453100808.db2.gz LPDUVJATGZSEKB-IBGZPJMESA-N 1 3 346.519 1.699 20 0 EDADHO [NH3+]C1(CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000644198908 453128319 /nfs/dbraw/zinc/12/83/19/453128319.db2.gz BIUJOVIGDFBOEE-DLBZAZTESA-N 1 3 328.460 1.784 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC([C@H]4CCOC4)C3)CC2)CC1 ZINC000655041734 453161228 /nfs/dbraw/zinc/16/12/28/453161228.db2.gz XMCDUIRLQZFFSZ-KRWDZBQOSA-N 1 3 349.519 1.678 20 0 EDADHO CN1CC[NH+](CC2(C)CCN(CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660276654 453168809 /nfs/dbraw/zinc/16/88/09/453168809.db2.gz RLWQWPCVQMZFCR-OAHLLOKOSA-N 1 3 331.451 1.760 20 0 EDADHO COC1CCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662492428 453209686 /nfs/dbraw/zinc/20/96/86/453209686.db2.gz KCPVXNNNIOTPSK-KRWDZBQOSA-N 1 3 345.487 1.906 20 0 EDADHO CN(C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662524108 453243125 /nfs/dbraw/zinc/24/31/25/453243125.db2.gz SWSPMZQHFHPQGQ-GOEBONIOSA-N 1 3 327.432 1.519 20 0 EDADHO CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000653110066 453295393 /nfs/dbraw/zinc/29/53/93/453295393.db2.gz WUHRXTWPULNCGO-MSOLQXFVSA-N 1 3 332.492 1.219 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000648857537 453333305 /nfs/dbraw/zinc/33/33/05/453333305.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 1 3 331.460 1.210 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000648857537 453333306 /nfs/dbraw/zinc/33/33/06/453333306.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 1 3 331.460 1.210 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653148569 453335742 /nfs/dbraw/zinc/33/57/42/453335742.db2.gz CXEXFRFGWWQMKO-QZTJIDSGSA-N 1 3 334.508 1.003 20 0 EDADHO N[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653183779 453373370 /nfs/dbraw/zinc/37/33/70/453373370.db2.gz JPLFGGIYZHTHDK-MLHJIOFPSA-N 1 3 331.460 1.821 20 0 EDADHO CCN(C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000664754918 453375408 /nfs/dbraw/zinc/37/54/08/453375408.db2.gz MPQKUXFGOMDOHI-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000664754918 453375415 /nfs/dbraw/zinc/37/54/15/453375415.db2.gz MPQKUXFGOMDOHI-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692582 453412156 /nfs/dbraw/zinc/41/21/56/453412156.db2.gz PSSYBWQUNFXZAN-OTWHNJEPSA-N 1 3 345.487 1.940 20 0 EDADHO C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147329 453439537 /nfs/dbraw/zinc/43/95/37/453439537.db2.gz ZOPCNPRBZMATNG-CZUORRHYSA-N 1 3 330.432 1.169 20 0 EDADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000662715429 453439799 /nfs/dbraw/zinc/43/97/99/453439799.db2.gz ITIXVGIRUHICIR-SFHVURJKSA-N 1 3 345.487 1.648 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662750862 453485246 /nfs/dbraw/zinc/48/52/46/453485246.db2.gz UYZIQLOMYBXCNF-KBAYOESNSA-N 1 3 331.460 1.473 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c(C)c2)CC1 ZINC000662754555 453492450 /nfs/dbraw/zinc/49/24/50/453492450.db2.gz QOARMWDFXFVUPK-WMZOPIPTSA-N 1 3 346.475 1.439 20 0 EDADHO COC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCC1 ZINC000664971752 453524596 /nfs/dbraw/zinc/52/45/96/453524596.db2.gz UTSYFIZGNIJMBD-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCC1 ZINC000664971752 453524601 /nfs/dbraw/zinc/52/46/01/453524601.db2.gz UTSYFIZGNIJMBD-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO Cc1cccnc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665027357 453546606 /nfs/dbraw/zinc/54/66/06/453546606.db2.gz IEQOVUUNNXOCCD-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO Cc1cccnc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665027357 453546608 /nfs/dbraw/zinc/54/66/08/453546608.db2.gz IEQOVUUNNXOCCD-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cccc4c3CCNC4)CC2)C1 ZINC000662816847 453548615 /nfs/dbraw/zinc/54/86/15/453548615.db2.gz QDVNIJLNESISKG-APWZRJJASA-N 1 3 343.471 1.691 20 0 EDADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1(NC2CC2)CCC1 ZINC000662847226 453569701 /nfs/dbraw/zinc/56/97/01/453569701.db2.gz XTYZSOKZBYDVGL-UHFFFAOYSA-N 1 3 335.492 1.668 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860517 453574809 /nfs/dbraw/zinc/57/48/09/453574809.db2.gz SCQHQRIIYCHPIE-ZWKOTPCHSA-N 1 3 331.460 1.259 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000662874946 453583696 /nfs/dbraw/zinc/58/36/96/453583696.db2.gz FINAXURETRNIOF-UHFFFAOYSA-N 1 3 342.487 1.780 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665240856 453621058 /nfs/dbraw/zinc/62/10/58/453621058.db2.gz ULJGFERAHQFCSK-MNEFBYGVSA-N 1 3 333.476 1.110 20 0 EDADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255037 453627330 /nfs/dbraw/zinc/62/73/30/453627330.db2.gz HINPMGAAKVRLDW-BEKAIBRUSA-N 1 3 347.503 1.887 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255037 453627332 /nfs/dbraw/zinc/62/73/32/453627332.db2.gz HINPMGAAKVRLDW-BEKAIBRUSA-N 1 3 347.503 1.887 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282886 453633941 /nfs/dbraw/zinc/63/39/41/453633941.db2.gz DLBAFDJXNSBASN-FRYIKTPZSA-N 1 3 346.519 1.145 20 0 EDADHO COc1ccc([C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665293896 453640530 /nfs/dbraw/zinc/64/05/30/453640530.db2.gz DYRNOEKXKBSVAQ-MAUKXSAKSA-N 1 3 343.431 1.232 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036118 453689058 /nfs/dbraw/zinc/68/90/58/453689058.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036118 453689060 /nfs/dbraw/zinc/68/90/60/453689060.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636656 453778087 /nfs/dbraw/zinc/77/80/87/453778087.db2.gz FMFVFJLPZZKDOA-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@@H]1CO[C@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636656 453778089 /nfs/dbraw/zinc/77/80/89/453778089.db2.gz FMFVFJLPZZKDOA-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO CCn1cc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663512534 453813356 /nfs/dbraw/zinc/81/33/56/453813356.db2.gz OEMPZOUCSOVKJM-MRXNPFEDSA-N 1 3 343.479 1.415 20 0 EDADHO C[C@H](NCCNc1ccc(-c2ccccc2)nn1)[C@@H]1CCC[NH2+]C1 ZINC000515164892 486700317 /nfs/dbraw/zinc/70/03/17/486700317.db2.gz XTVYNMFANFZXKW-DOTOQJQBSA-N 1 3 325.460 2.533 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674327202 486731043 /nfs/dbraw/zinc/73/10/43/486731043.db2.gz AAOKCXLSSCYAET-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(=O)NC[C@H]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676413874 486762767 /nfs/dbraw/zinc/76/27/67/486762767.db2.gz JXMCIEAPAOYOCD-GOSISDBHSA-N 1 3 333.476 1.975 20 0 EDADHO COc1cccnc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000672819968 486810978 /nfs/dbraw/zinc/81/09/78/486810978.db2.gz LQTPQWWQAAUKMQ-UHFFFAOYSA-N 1 3 346.475 1.308 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417948711 486816058 /nfs/dbraw/zinc/81/60/58/486816058.db2.gz JEHAKXBMEFJWFJ-CABCVRRESA-N 1 3 335.452 1.091 20 0 EDADHO C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418214140 486828242 /nfs/dbraw/zinc/82/82/42/486828242.db2.gz WWGUVLPRAYJGDY-QGZVFWFLSA-N 1 3 336.480 1.937 20 0 EDADHO CC[C@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1[NH3+] ZINC000667550674 486840811 /nfs/dbraw/zinc/84/08/11/486840811.db2.gz QXMQQZYDELIZDO-GOEBONIOSA-N 1 3 332.448 1.273 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)N1CCCCC1 ZINC000684174510 486969381 /nfs/dbraw/zinc/96/93/81/486969381.db2.gz JXXZVBDQAHRTSX-SJLPKXTDSA-N 1 3 325.497 1.412 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000677303445 487036955 /nfs/dbraw/zinc/03/69/55/487036955.db2.gz DJTWSDMXPSTVDL-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000677303445 487036957 /nfs/dbraw/zinc/03/69/57/487036957.db2.gz DJTWSDMXPSTVDL-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCN(C)[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677805545 487172104 /nfs/dbraw/zinc/17/21/04/487172104.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 1 3 330.520 1.875 20 0 EDADHO CN1CCN(C)[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677805545 487172109 /nfs/dbraw/zinc/17/21/09/487172109.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 1 3 330.520 1.875 20 0 EDADHO OCC[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232636 487219443 /nfs/dbraw/zinc/21/94/43/487219443.db2.gz HNELICSSWJCWHD-ROUUACIJSA-N 1 3 328.497 1.192 20 0 EDADHO OCC[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232636 487219444 /nfs/dbraw/zinc/21/94/44/487219444.db2.gz HNELICSSWJCWHD-ROUUACIJSA-N 1 3 328.497 1.192 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000674328075 487237920 /nfs/dbraw/zinc/23/79/20/487237920.db2.gz JLMHBGDYRPCCDA-HNNXBMFYSA-N 1 3 328.501 1.373 20 0 EDADHO CN(C)CCN(C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CCCC1 ZINC000675164920 487384143 /nfs/dbraw/zinc/38/41/43/487384143.db2.gz NQFPQJPNHPYPCD-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000682556145 487388454 /nfs/dbraw/zinc/38/84/54/487388454.db2.gz DVWQGFKPDWKSPK-RYQLBKOJSA-N 1 3 331.460 1.713 20 0 EDADHO C[C@H](NCC(=O)N1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781791 487443533 /nfs/dbraw/zinc/44/35/33/487443533.db2.gz AVTABGARZJHCKB-INIZCTEOSA-N 1 3 348.491 1.052 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000679764073 487464073 /nfs/dbraw/zinc/46/40/73/487464073.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000679764073 487464075 /nfs/dbraw/zinc/46/40/75/487464075.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000574987132 486002948 /nfs/dbraw/zinc/00/29/48/486002948.db2.gz HLTSACIZPJFZJI-RISCZKNCSA-N 1 3 326.391 1.706 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000668665691 486016114 /nfs/dbraw/zinc/01/61/14/486016114.db2.gz LNQNSZGJRXDZCU-XIRDDKMYSA-N 1 3 332.448 1.019 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)N(C)C)cc1 ZINC000669419015 486137815 /nfs/dbraw/zinc/13/78/15/486137815.db2.gz XREFKRSZOBNTQE-NJAFHUGGSA-N 1 3 330.476 1.991 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000669426366 486148000 /nfs/dbraw/zinc/14/80/00/486148000.db2.gz ZRKWNDLPLWHKIE-WBVHZDCISA-N 1 3 348.491 1.896 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000669426364 486148372 /nfs/dbraw/zinc/14/83/72/486148372.db2.gz ZRKWNDLPLWHKIE-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669469573 486221123 /nfs/dbraw/zinc/22/11/23/486221123.db2.gz PAULSKDSUFCWBV-AWEZNQCLSA-N 1 3 326.485 1.317 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCCO1 ZINC000522192898 490995999 /nfs/dbraw/zinc/99/59/99/490995999.db2.gz ZAVUWCGDSUCTRR-DLBZAZTESA-N 1 3 341.496 1.057 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@H]1CCCO1 ZINC000522192898 490996000 /nfs/dbraw/zinc/99/60/00/490996000.db2.gz ZAVUWCGDSUCTRR-DLBZAZTESA-N 1 3 341.496 1.057 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188724075 525379538 /nfs/dbraw/zinc/37/95/38/525379538.db2.gz MGKJQAXNNPHHDI-OKILXGFUSA-N 1 3 333.480 1.543 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188724075 525379544 /nfs/dbraw/zinc/37/95/44/525379544.db2.gz MGKJQAXNNPHHDI-OKILXGFUSA-N 1 3 333.480 1.543 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461595 /nfs/dbraw/zinc/46/15/95/536461595.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461596 /nfs/dbraw/zinc/46/15/96/536461596.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 1 3 334.508 1.987 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000078560399 535322331 /nfs/dbraw/zinc/32/23/31/535322331.db2.gz ALEPCXCUQFTWGK-IAGOWNOFSA-N 1 3 325.497 1.868 20 0 EDADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CCN[C@@H](C)C3)c2)CC1 ZINC000333357897 535752459 /nfs/dbraw/zinc/75/24/59/535752459.db2.gz SHUVBFYKMYXZLC-HNNXBMFYSA-N 1 3 331.464 1.654 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000271906023 535889266 /nfs/dbraw/zinc/88/92/66/535889266.db2.gz WQNHXWGSEROLKU-KURKYZTESA-N 1 3 345.487 1.881 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262676460 535889419 /nfs/dbraw/zinc/88/94/19/535889419.db2.gz SFDPNQLIAIGRFX-UHFFFAOYSA-N 1 3 346.475 1.256 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(C)(C)N)CC1 ZINC000263285962 535916433 /nfs/dbraw/zinc/91/64/33/535916433.db2.gz UKVDODUFIZGVRL-UHFFFAOYSA-N 1 3 334.464 1.013 20 0 EDADHO CN1CCC2(CCCN2C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000333317588 536347860 /nfs/dbraw/zinc/34/78/60/536347860.db2.gz MMNAPRSIDCGXDE-HNNXBMFYSA-N 1 3 343.475 1.990 20 0 EDADHO C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000760476812 580031623 /nfs/dbraw/zinc/03/16/23/580031623.db2.gz JMYPCRRNLVGEHL-HNNXBMFYSA-N 1 3 326.554 1.913 20 0 EDADHO C[C@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275111 578804361 /nfs/dbraw/zinc/80/43/61/578804361.db2.gz OVUPBJZLMJPZSX-PBHICJAKSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H](CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275111 578804362 /nfs/dbraw/zinc/80/43/62/578804362.db2.gz OVUPBJZLMJPZSX-PBHICJAKSA-N 1 3 338.496 1.412 20 0 EDADHO C[NH+](C)CC1CC[NH+](CCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736759126 579018218 /nfs/dbraw/zinc/01/82/18/579018218.db2.gz NHZBZSHSKRDJDF-UHFFFAOYSA-N 1 3 330.436 1.519 20 0 EDADHO C[NH+](C)CC1CC[NH+](CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736759126 579018219 /nfs/dbraw/zinc/01/82/19/579018219.db2.gz NHZBZSHSKRDJDF-UHFFFAOYSA-N 1 3 330.436 1.519 20 0 EDADHO C[C@@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000747554068 579648724 /nfs/dbraw/zinc/64/87/24/579648724.db2.gz CTFGGDWVUDRWHH-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000747554068 579648726 /nfs/dbraw/zinc/64/87/26/579648726.db2.gz CTFGGDWVUDRWHH-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO Cn1nc(Br)cc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000785463511 580645112 /nfs/dbraw/zinc/64/51/12/580645112.db2.gz NPMLHCZZNANPNM-LBPRGKRZSA-N 1 3 345.285 1.509 20 0 EDADHO Cn1nc(Br)cc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000785463511 580645113 /nfs/dbraw/zinc/64/51/13/580645113.db2.gz NPMLHCZZNANPNM-LBPRGKRZSA-N 1 3 345.285 1.509 20 0 EDADHO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000893239747 590728506 /nfs/dbraw/zinc/72/85/06/590728506.db2.gz VOYUSYMVNLQRAC-HZTRTUMWSA-N 1 3 326.444 2.000 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749796 /nfs/dbraw/zinc/74/97/96/590749796.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749801 /nfs/dbraw/zinc/74/98/01/590749801.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NCCNCCOC)CC1 ZINC000892055934 590776366 /nfs/dbraw/zinc/77/63/66/590776366.db2.gz NHFZOFZEPLHMAE-UHFFFAOYSA-N 1 3 340.512 1.663 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000892058266 590777283 /nfs/dbraw/zinc/77/72/83/590777283.db2.gz WJNCYQWLGLSMJY-SFHVURJKSA-N 1 3 340.512 1.376 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087047 590790316 /nfs/dbraw/zinc/79/03/16/590790316.db2.gz RYRRCENGHBUJRE-QGZVFWFLSA-N 1 3 344.459 1.248 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000890878518 590828274 /nfs/dbraw/zinc/82/82/74/590828274.db2.gz CCASGNIXPNGPHP-SJORKVTESA-N 1 3 349.523 1.502 20 0 EDADHO CN1CCN(C2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000892209818 590866692 /nfs/dbraw/zinc/86/66/92/590866692.db2.gz HVGAIXPVYDPBRX-UHFFFAOYSA-N 1 3 345.491 1.067 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000892263286 590895974 /nfs/dbraw/zinc/89/59/74/590895974.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000892263286 590895979 /nfs/dbraw/zinc/89/59/79/590895979.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000892373981 590998592 /nfs/dbraw/zinc/99/85/92/590998592.db2.gz DVJBAWVLSHSTAA-INIZCTEOSA-N 1 3 347.507 1.721 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892478189 591041016 /nfs/dbraw/zinc/04/10/16/591041016.db2.gz JOJHTIZZRCUIHO-IRXDYDNUSA-N 1 3 330.476 1.778 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C2 ZINC000892567047 591075347 /nfs/dbraw/zinc/07/53/47/591075347.db2.gz XSOMMMVIRYQXEY-CGBFIWBNSA-N 1 3 342.487 1.887 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476497 591084835 /nfs/dbraw/zinc/08/48/35/591084835.db2.gz RIFLYUQFLBYQTD-YQVWRLOYSA-N 1 3 330.476 1.882 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476497 591084840 /nfs/dbraw/zinc/08/48/40/591084840.db2.gz RIFLYUQFLBYQTD-YQVWRLOYSA-N 1 3 330.476 1.882 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544533 591117871 /nfs/dbraw/zinc/11/78/71/591117871.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544533 591117872 /nfs/dbraw/zinc/11/78/72/591117872.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO CCCCN(C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891544222 591117995 /nfs/dbraw/zinc/11/79/95/591117995.db2.gz AGTOWQGXLOQFFM-OAHLLOKOSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892797429 591181478 /nfs/dbraw/zinc/18/14/78/591181478.db2.gz NXYLTJMRRPQDGO-LZQZEXGQSA-N 1 3 342.487 1.969 20 0 EDADHO C[NH+]1CCC(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000892804925 591187711 /nfs/dbraw/zinc/18/77/11/591187711.db2.gz AOOJBLSCABQAJX-GOSISDBHSA-N 1 3 330.432 1.173 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H]3C[C@@]3(C)Br)C2)CC1 ZINC000892948050 591235674 /nfs/dbraw/zinc/23/56/74/591235674.db2.gz LOJSDMDKENPZRT-KCQAQPDRSA-N 1 3 330.314 1.918 20 0 EDADHO COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)C1(F)F ZINC000894332731 591281309 /nfs/dbraw/zinc/28/13/09/591281309.db2.gz QNZZTPVEANNPCE-AJNGGQMLSA-N 1 3 346.418 1.398 20 0 EDADHO CCN1CCN(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894385861 591297490 /nfs/dbraw/zinc/29/74/90/591297490.db2.gz VXGBBACXVORZPR-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900328 591299927 /nfs/dbraw/zinc/29/99/27/591299927.db2.gz FGFOGHHIQJODRZ-ZWKOTPCHSA-N 1 3 334.508 1.987 20 0 EDADHO CC(=O)OC[C@H](C)NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894937982 591488440 /nfs/dbraw/zinc/48/84/40/591488440.db2.gz VGGOILKSUVRTBQ-AWEZNQCLSA-N 1 3 347.459 1.425 20 0 EDADHO C[NH+]1CCC(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000895322132 591712688 /nfs/dbraw/zinc/71/26/88/591712688.db2.gz ZPBIHSXDCWIWPS-UXHICEINSA-N 1 3 329.488 1.913 20 0 EDADHO C[NH+]1CCC(CN2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 ZINC000895516111 591787707 /nfs/dbraw/zinc/78/77/07/591787707.db2.gz ODTXDEVDIAXRKV-UHFFFAOYSA-N 1 3 334.439 1.388 20 0 EDADHO CN(C)CCOc1cc(NC(=O)COC2CC[NH+](C)CC2)ccn1 ZINC000897319407 591839900 /nfs/dbraw/zinc/83/99/00/591839900.db2.gz JBZPUMGWPNJHEW-UHFFFAOYSA-N 1 3 336.436 1.071 20 0 EDADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN(C)CCO ZINC000899741721 591927821 /nfs/dbraw/zinc/92/78/21/591927821.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 1 3 347.503 1.575 20 0 EDADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCN(C)CCO ZINC000899741721 591927824 /nfs/dbraw/zinc/92/78/24/591927824.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 1 3 347.503 1.575 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900229969 591957276 /nfs/dbraw/zinc/95/72/76/591957276.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900229969 591957279 /nfs/dbraw/zinc/95/72/79/591957279.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 1 3 347.503 1.990 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900331390 591992000 /nfs/dbraw/zinc/99/20/00/591992000.db2.gz HNCMYAZRJLOJOF-IBGZPJMESA-N 1 3 339.524 1.804 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900331390 591992002 /nfs/dbraw/zinc/99/20/02/591992002.db2.gz HNCMYAZRJLOJOF-IBGZPJMESA-N 1 3 339.524 1.804 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996817 /nfs/dbraw/zinc/99/68/17/591996817.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996818 /nfs/dbraw/zinc/99/68/18/591996818.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 1 3 338.540 1.639 20 0 EDADHO CN(C)CCN(C(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000900428302 592015367 /nfs/dbraw/zinc/01/53/67/592015367.db2.gz BKPAVIYAAXBVQH-UHFFFAOYSA-N 1 3 331.460 1.692 20 0 EDADHO O=S1(=O)CCCN1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903116701 592123442 /nfs/dbraw/zinc/12/34/42/592123442.db2.gz NAWKCLAUICIALE-VHRNVKJDSA-N 1 3 327.494 1.159 20 0 EDADHO O=S1(=O)CCCN1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903116701 592123443 /nfs/dbraw/zinc/12/34/43/592123443.db2.gz NAWKCLAUICIALE-VHRNVKJDSA-N 1 3 327.494 1.159 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCOc1ccccc1C(C)=O)C2 ZINC000903493485 592186104 /nfs/dbraw/zinc/18/61/04/592186104.db2.gz YPRJXLXYPVDBFL-KHYOSLBOSA-N 1 3 346.427 1.480 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496454 592187533 /nfs/dbraw/zinc/18/75/33/592187533.db2.gz OJLTUIMDQZZAMG-IJEWVQPXSA-N 1 3 332.448 1.318 20 0 EDADHO C[C@@H]1CN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903496382 592187687 /nfs/dbraw/zinc/18/76/87/592187687.db2.gz LXKWVKXYQHGEQF-UKRRQHHQSA-N 1 3 332.448 1.244 20 0 EDADHO C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496094 592187785 /nfs/dbraw/zinc/18/77/85/592187785.db2.gz FGODCPMOOQNCDZ-ANQUJSFKSA-N 1 3 331.460 1.932 20 0 EDADHO CCc1nn(C)c(Cl)c1CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904338834 592232208 /nfs/dbraw/zinc/23/22/08/592232208.db2.gz VXEHKKJYJSDBSR-BETUJISGSA-N 1 3 325.888 1.491 20 0 EDADHO CN1c2ccc(CN3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2CCC1=O ZINC000904392908 592243423 /nfs/dbraw/zinc/24/34/23/592243423.db2.gz CYYMLFGSGZOAHJ-KRWDZBQOSA-N 1 3 343.471 1.925 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663041 592244832 /nfs/dbraw/zinc/24/48/32/592244832.db2.gz CCUAGWXZSVOFQA-GOEBONIOSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663041 592244837 /nfs/dbraw/zinc/24/48/37/592244837.db2.gz CCUAGWXZSVOFQA-GOEBONIOSA-N 1 3 330.432 1.027 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662477 592245182 /nfs/dbraw/zinc/24/51/82/592245182.db2.gz WVNAJHWSOZUFFK-AWEZNQCLSA-N 1 3 346.475 1.619 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000906678976 592260240 /nfs/dbraw/zinc/26/02/40/592260240.db2.gz RDMOTKZYWFIIKG-HNNXBMFYSA-N 1 3 344.459 1.322 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000906678976 592260245 /nfs/dbraw/zinc/26/02/45/592260245.db2.gz RDMOTKZYWFIIKG-HNNXBMFYSA-N 1 3 344.459 1.322 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])n2)CC1 ZINC000904458301 592265817 /nfs/dbraw/zinc/26/58/17/592265817.db2.gz WPVWLWGBKSZOEU-SUMWQHHRSA-N 1 3 332.452 1.495 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904512370 592275000 /nfs/dbraw/zinc/27/50/00/592275000.db2.gz ZRXYEQOPJWKYKI-IRXDYDNUSA-N 1 3 348.447 1.087 20 0 EDADHO NC(=O)CCN(Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717694 592280679 /nfs/dbraw/zinc/28/06/79/592280679.db2.gz DGHFRWKAUKPKSK-KRWDZBQOSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@@H]1CCCN(C(=O)C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)C1 ZINC000903721476 592283135 /nfs/dbraw/zinc/28/31/35/592283135.db2.gz AYTOLOSIGVNGEV-KPFFTGBYSA-N 1 3 349.519 1.726 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCOC1CCSCC1 ZINC000903745864 592293662 /nfs/dbraw/zinc/29/36/62/592293662.db2.gz AQEOLPDJQLTTSR-AWEZNQCLSA-N 1 3 329.510 1.218 20 0 EDADHO CCOC(=O)N(C)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752968 592296567 /nfs/dbraw/zinc/29/65/67/592296567.db2.gz RDFUFVILJWKPNY-NVXWUHKLSA-N 1 3 325.453 1.308 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC(C(C)(C)C[NH3+])CC3)sc2n1 ZINC000903789496 592322771 /nfs/dbraw/zinc/32/27/71/592322771.db2.gz VVMOOSZNFNLJRN-UHFFFAOYSA-N 1 3 335.477 1.656 20 0 EDADHO CCN1CCC(NC(=O)CN2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903816228 592324348 /nfs/dbraw/zinc/32/43/48/592324348.db2.gz WQJRFFMOCIXARP-QGZVFWFLSA-N 1 3 336.524 1.570 20 0 EDADHO COc1cc(CC[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)ccc1C ZINC000903926861 592381288 /nfs/dbraw/zinc/38/12/88/592381288.db2.gz VHIUHMHFGFMAAF-QGZVFWFLSA-N 1 3 330.476 1.995 20 0 EDADHO COc1cc(CCNC[C@@H](C[NH3+])Cc2cnn(C)c2C)ccc1C ZINC000903926861 592381289 /nfs/dbraw/zinc/38/12/89/592381289.db2.gz VHIUHMHFGFMAAF-QGZVFWFLSA-N 1 3 330.476 1.995 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(N(C)C(C)C)nc1)C2 ZINC000903977682 592399535 /nfs/dbraw/zinc/39/95/35/592399535.db2.gz VUHZPJZBVMFPJR-FCEWJHQRSA-N 1 3 346.475 1.639 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C/c1ccccc1OC)C2 ZINC000903978743 592400503 /nfs/dbraw/zinc/40/05/03/592400503.db2.gz LOJNDRZRNXWVNZ-KNVHLJKESA-N 1 3 330.428 1.921 20 0 EDADHO COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903964154 592402549 /nfs/dbraw/zinc/40/25/49/592402549.db2.gz RFXIIJUKMURBDC-SFHVURJKSA-N 1 3 347.503 1.949 20 0 EDADHO COCC[N@H+](Cc1ccc(C)cc1C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903964154 592402550 /nfs/dbraw/zinc/40/25/50/592402550.db2.gz RFXIIJUKMURBDC-SFHVURJKSA-N 1 3 347.503 1.949 20 0 EDADHO C[C@H](CCNC[C@@H](O)C[C@@]1(O)CCOC1)[N@H+](C)Cc1ccccc1 ZINC000905147770 592438237 /nfs/dbraw/zinc/43/82/37/592438237.db2.gz RRBCXPSUNSLNAT-NEWSRXKRSA-N 1 3 336.476 1.389 20 0 EDADHO C[C@H](CCNC[C@@H](O)C[C@@]1(O)CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000905147770 592438238 /nfs/dbraw/zinc/43/82/38/592438238.db2.gz RRBCXPSUNSLNAT-NEWSRXKRSA-N 1 3 336.476 1.389 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151405 592440464 /nfs/dbraw/zinc/44/04/64/592440464.db2.gz AODBBLBPGGLEJL-QRQLOZEOSA-N 1 3 348.487 1.532 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151405 592440468 /nfs/dbraw/zinc/44/04/68/592440468.db2.gz AODBBLBPGGLEJL-QRQLOZEOSA-N 1 3 348.487 1.532 20 0 EDADHO CN(C)CCN1CCC([NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1 ZINC000905294927 592487382 /nfs/dbraw/zinc/48/73/82/592487382.db2.gz MWBYJXSCMDSHLB-UHFFFAOYSA-N 1 3 335.536 1.789 20 0 EDADHO CCCCN1CCCC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341404 592511799 /nfs/dbraw/zinc/51/17/99/592511799.db2.gz ZVCHRVPNKJBCSQ-INIZCTEOSA-N 1 3 331.526 1.560 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503039 592546388 /nfs/dbraw/zinc/54/63/88/592546388.db2.gz MUEXGYNFVXPWHT-IEWDOMPSSA-N 1 3 336.451 1.928 20 0 EDADHO Cc1nc2c(cnn2C)c(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000905699753 592613943 /nfs/dbraw/zinc/61/39/43/592613943.db2.gz DJTHBZGEGUITHQ-GASCZTMLSA-N 1 3 341.463 1.077 20 0 EDADHO Cc1nc2c(cnn2C)c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000905699753 592613945 /nfs/dbraw/zinc/61/39/45/592613945.db2.gz DJTHBZGEGUITHQ-GASCZTMLSA-N 1 3 341.463 1.077 20 0 EDADHO Cc1nc2c(cnn2C)c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000905699753 592613948 /nfs/dbraw/zinc/61/39/48/592613948.db2.gz DJTHBZGEGUITHQ-GASCZTMLSA-N 1 3 341.463 1.077 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905889611 592668811 /nfs/dbraw/zinc/66/88/11/592668811.db2.gz NKFKTBVYKPCXPG-MOPGFXCFSA-N 1 3 336.476 1.520 20 0 EDADHO Cc1cccc([C@@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000905927418 592685373 /nfs/dbraw/zinc/68/53/73/592685373.db2.gz OADOXVZEALWVKZ-SFHVURJKSA-N 1 3 333.476 1.418 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909918743 592713596 /nfs/dbraw/zinc/71/35/96/592713596.db2.gz RDUVHRBZNDBSIQ-QGZVFWFLSA-N 1 3 339.505 1.485 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909918743 592713598 /nfs/dbraw/zinc/71/35/98/592713598.db2.gz RDUVHRBZNDBSIQ-QGZVFWFLSA-N 1 3 339.505 1.485 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000911216093 592958331 /nfs/dbraw/zinc/95/83/31/592958331.db2.gz NQBHQGAXEHMZBQ-DZKIICNBSA-N 1 3 346.475 1.086 20 0 EDADHO CN1CCC(N(CCO)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000911941362 593040443 /nfs/dbraw/zinc/04/04/43/593040443.db2.gz OKTPCBOVVFHADW-UHFFFAOYSA-N 1 3 325.497 1.414 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000809644735 593352063 /nfs/dbraw/zinc/35/20/63/593352063.db2.gz VMPPYZCAGCNEFU-GJZGRUSLSA-N 1 3 342.399 1.688 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOC/C=C/Cl ZINC000812705831 593507745 /nfs/dbraw/zinc/50/77/45/593507745.db2.gz GLAFNXJQHKKPMV-IZPAUZPXSA-N 1 3 332.876 1.728 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOC/C=C/Cl ZINC000812705831 593507746 /nfs/dbraw/zinc/50/77/46/593507746.db2.gz GLAFNXJQHKKPMV-IZPAUZPXSA-N 1 3 332.876 1.728 20 0 EDADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818981637 593732196 /nfs/dbraw/zinc/73/21/96/593732196.db2.gz WISANEONSNPEQG-INIZCTEOSA-N 1 3 343.512 1.972 20 0 EDADHO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000819003813 593733452 /nfs/dbraw/zinc/73/34/52/593733452.db2.gz HIXYZEXAUZOUFR-YOEHRIQHSA-N 1 3 337.439 1.345 20 0 EDADHO COCCN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000820808854 593895136 /nfs/dbraw/zinc/89/51/36/593895136.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 1 3 325.497 1.329 20 0 EDADHO COCCN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808854 593895137 /nfs/dbraw/zinc/89/51/37/593895137.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 1 3 325.497 1.329 20 0 EDADHO COCCN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820808854 593895138 /nfs/dbraw/zinc/89/51/38/593895138.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 1 3 325.497 1.329 20 0 EDADHO COC[C@]1(c2nc(-c3ccc(OCCN(C)C)cc3)no2)CC[NH2+]C1 ZINC000822723199 594091722 /nfs/dbraw/zinc/09/17/22/594091722.db2.gz TVPLQPCTYXXMRL-SFHVURJKSA-N 1 3 346.431 1.555 20 0 EDADHO C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5N4)n3)cn2)CC1 ZINC000822951073 594127237 /nfs/dbraw/zinc/12/72/37/594127237.db2.gz JNJSEIQLCISSSH-KFWWJZLASA-N 1 3 340.431 1.696 20 0 EDADHO C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5N4)n3)cn2)CC1 ZINC000822951073 594127238 /nfs/dbraw/zinc/12/72/38/594127238.db2.gz JNJSEIQLCISSSH-KFWWJZLASA-N 1 3 340.431 1.696 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567580 594201618 /nfs/dbraw/zinc/20/16/18/594201618.db2.gz CFZPFASFYICRDO-MAUBAPBLSA-N 1 3 345.491 1.754 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567580 594201620 /nfs/dbraw/zinc/20/16/20/594201620.db2.gz CFZPFASFYICRDO-MAUBAPBLSA-N 1 3 345.491 1.754 20 0 EDADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825576469 594202611 /nfs/dbraw/zinc/20/26/11/594202611.db2.gz HXPGAZMNWFSJCW-XJKSGUPXSA-N 1 3 332.452 1.874 20 0 EDADHO CN1CCN(C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CC1 ZINC000827435821 594671744 /nfs/dbraw/zinc/67/17/44/594671744.db2.gz XWGNLIBPQSPORD-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO CCO[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C[NH+](C)C ZINC000831756755 594699933 /nfs/dbraw/zinc/69/99/33/594699933.db2.gz KYQBQTOFTXVRRB-ZWKOTPCHSA-N 1 3 348.491 1.377 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000841019777 594840398 /nfs/dbraw/zinc/84/03/98/594840398.db2.gz KVKWZTJZRRQPIF-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305014 594883321 /nfs/dbraw/zinc/88/33/21/594883321.db2.gz DSMKDHDGDZTCOX-LSDHHAIUSA-N 1 3 330.432 1.317 20 0 EDADHO N[C@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847193 594964166 /nfs/dbraw/zinc/96/41/66/594964166.db2.gz SMHYWJJDYXAODU-QWHCGFSZSA-N 1 3 341.358 1.516 20 0 EDADHO C[C@@]1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000841898610 594976676 /nfs/dbraw/zinc/97/66/76/594976676.db2.gz OZZOGCRNYIGNHJ-HKUYNNGSSA-N 1 3 346.475 1.268 20 0 EDADHO CN1CCC2(CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841930200 594984017 /nfs/dbraw/zinc/98/40/17/594984017.db2.gz WRVRHNSOZVPOCX-UHFFFAOYSA-N 1 3 330.476 1.958 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000837766381 595190716 /nfs/dbraw/zinc/19/07/16/595190716.db2.gz DLRZTKBBWQPNJS-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C)CCn1cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000834776214 595209067 /nfs/dbraw/zinc/20/90/67/595209067.db2.gz SHSDVWIUCIYKOQ-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000844171987 595290821 /nfs/dbraw/zinc/29/08/21/595290821.db2.gz SPVRNLKGWCNPCA-OWLYRPNTSA-N 1 3 335.492 1.667 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844192588 595298682 /nfs/dbraw/zinc/29/86/82/595298682.db2.gz ZVFQVLMCUNKKNC-UHFFFAOYSA-N 1 3 325.416 1.544 20 0 EDADHO CCO[C@@H]1CN(C(=O)C[C@H](N)c2cc(C)nc(Cl)c2)C[C@H]1C[NH3+] ZINC000846694659 595303161 /nfs/dbraw/zinc/30/31/61/595303161.db2.gz AUUXGXCGQFVNJJ-HZSPNIEDSA-N 1 3 340.855 1.256 20 0 EDADHO O=C1O[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721166 595435805 /nfs/dbraw/zinc/43/58/05/595435805.db2.gz IMYSUHWWFNCOGA-ALKREAHSSA-N 1 3 343.427 1.815 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067718 595477520 /nfs/dbraw/zinc/47/75/20/595477520.db2.gz YCYKVZBDJKACSG-HNNXBMFYSA-N 1 3 335.427 1.154 20 0 EDADHO CCN(CCNC(=[NH2+])NC[C@@H]1CCCN1CC)CCC(F)(F)F ZINC000849098242 595481202 /nfs/dbraw/zinc/48/12/02/595481202.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 1 3 337.434 1.859 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845411640 595494027 /nfs/dbraw/zinc/49/40/27/595494027.db2.gz RSHGEMKCNUNNLU-LSDHHAIUSA-N 1 3 336.883 1.826 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774222 595537470 /nfs/dbraw/zinc/53/74/70/595537470.db2.gz QNNNKFCOIKYQCI-ROUUACIJSA-N 1 3 345.487 1.954 20 0 EDADHO [NH3+]C[C@@H]1CC(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)=NO1 ZINC000852859192 595580894 /nfs/dbraw/zinc/58/08/94/595580894.db2.gz OKCMDIGFHZTQBB-RDJZCZTQSA-N 1 3 330.432 1.433 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585910 595582543 /nfs/dbraw/zinc/58/25/43/595582543.db2.gz MZNSOLXZRWOPLJ-HOTGVXAUSA-N 1 3 333.480 1.056 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849585337 595583250 /nfs/dbraw/zinc/58/32/50/595583250.db2.gz LBWABUTWWLYMRY-MSOLQXFVSA-N 1 3 347.507 1.400 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852873547 595592511 /nfs/dbraw/zinc/59/25/11/595592511.db2.gz YHKCNXZLECFKTC-UHFFFAOYSA-N 1 3 342.487 1.360 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cn1 ZINC000855347214 595682337 /nfs/dbraw/zinc/68/23/37/595682337.db2.gz YQOSSWGRYAYZQX-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(Cl)cn1 ZINC000855347214 595682341 /nfs/dbraw/zinc/68/23/41/595682341.db2.gz YQOSSWGRYAYZQX-ZDUSSCGKSA-N 1 3 326.872 1.666 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(C2OCCO2)s1 ZINC000850354030 595815830 /nfs/dbraw/zinc/81/58/30/595815830.db2.gz SKZQZLCJMGWLGE-ZDUSSCGKSA-N 1 3 342.509 1.550 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851667445 595876566 /nfs/dbraw/zinc/87/65/66/595876566.db2.gz PBFFEHAVBAVFBA-KGLIPLIRSA-N 1 3 330.423 1.405 20 0 EDADHO CC1(C)CC[C@H](CN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)OC1 ZINC000866668701 596286289 /nfs/dbraw/zinc/28/62/89/596286289.db2.gz IMKRSJNSCUIMCW-OAGGEKHMSA-N 1 3 337.464 1.449 20 0 EDADHO CC(C)(C)[C@]1(C[NH3+])CCN(CCc2nnnn2-c2ccccc2)C1 ZINC000866705214 596301342 /nfs/dbraw/zinc/30/13/42/596301342.db2.gz VOYBITBLCXRWOC-SFHVURJKSA-N 1 3 328.464 1.902 20 0 EDADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866705214 596301343 /nfs/dbraw/zinc/30/13/43/596301343.db2.gz VOYBITBLCXRWOC-SFHVURJKSA-N 1 3 328.464 1.902 20 0 EDADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000866705214 596301345 /nfs/dbraw/zinc/30/13/45/596301345.db2.gz VOYBITBLCXRWOC-SFHVURJKSA-N 1 3 328.464 1.902 20 0 EDADHO Cc1cc(C)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709214 596302877 /nfs/dbraw/zinc/30/28/77/596302877.db2.gz IZVKKTUXQICNBW-NXHRZFHOSA-N 1 3 329.444 1.979 20 0 EDADHO O=C(CC[NH2+]CC1CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000870882093 596388379 /nfs/dbraw/zinc/38/83/79/596388379.db2.gz IBRZUDOFNWTZBN-UHFFFAOYSA-N 1 3 345.487 1.649 20 0 EDADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCCCC1 ZINC000864878455 596402033 /nfs/dbraw/zinc/40/20/33/596402033.db2.gz QTJUYODKTOHYGV-AWEZNQCLSA-N 1 3 342.484 1.043 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000870970819 596422187 /nfs/dbraw/zinc/42/21/87/596422187.db2.gz KYOIIDKWJHEERD-QAQDUYKDSA-N 1 3 330.476 1.442 20 0 EDADHO CN1CCC(O)(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000865474228 596585049 /nfs/dbraw/zinc/58/50/49/596585049.db2.gz ZBIVSIOVEDHMNB-UHFFFAOYSA-N 1 3 339.480 1.432 20 0 EDADHO C[NH2+]CCOCCN(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000863553992 596616216 /nfs/dbraw/zinc/61/62/16/596616216.db2.gz OVJUNROQTYYQED-UHFFFAOYSA-N 1 3 334.416 1.648 20 0 EDADHO CN1CCN(CCOc2ccc(-c3cnn4c3C[NH2+]CC4)cc2)CC1 ZINC000863692299 596660160 /nfs/dbraw/zinc/66/01/60/596660160.db2.gz VDJOGCSXZNXVHH-UHFFFAOYSA-N 1 3 341.459 1.280 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1(C)C ZINC000865774094 596677956 /nfs/dbraw/zinc/67/79/56/596677956.db2.gz OZWRBZVRHSCOOB-INIZCTEOSA-N 1 3 344.459 1.701 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868217364 596729829 /nfs/dbraw/zinc/72/98/29/596729829.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868217364 596729830 /nfs/dbraw/zinc/72/98/30/596729830.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242030 596742520 /nfs/dbraw/zinc/74/25/20/596742520.db2.gz VYPQCHLUHCPUCW-YESZJQIVSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)C[C@@H]1CN(c2ccccc2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000866012512 596757543 /nfs/dbraw/zinc/75/75/43/596757543.db2.gz FQYVBVLEBFOIFW-HUUCEWRRSA-N 1 3 339.505 1.266 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2nccc3ccccc32)C1 ZINC000872256189 596856732 /nfs/dbraw/zinc/85/67/32/596856732.db2.gz QDJASKLYYSGGHJ-JCGIZDLHSA-N 1 3 338.411 1.602 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1CC(=O)N(C(C)C)C1=O ZINC000872744469 597055617 /nfs/dbraw/zinc/05/56/17/597055617.db2.gz VXGQPHKUHLYKHT-UHFFFAOYSA-N 1 3 338.496 1.916 20 0 EDADHO c1c(CN2CCN(CC3CCOCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873204735 597226357 /nfs/dbraw/zinc/22/63/57/597226357.db2.gz FUMFLFMGPDSSMH-UHFFFAOYSA-N 1 3 335.517 1.938 20 0 EDADHO CC(C)(O)CN1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234962 /nfs/dbraw/zinc/23/49/62/597234962.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 1 3 345.487 1.677 20 0 EDADHO CC(C)(O)CN1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235201 /nfs/dbraw/zinc/23/52/01/597235201.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 1 3 345.487 1.677 20 0 EDADHO CC(C)(O)CN1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235286 /nfs/dbraw/zinc/23/52/86/597235286.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 1 3 345.487 1.677 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CCCCC1 ZINC000874994675 597235492 /nfs/dbraw/zinc/23/54/92/597235492.db2.gz VRVHKOBUPPFVTI-HNNXBMFYSA-N 1 3 340.512 1.395 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000873263572 597242241 /nfs/dbraw/zinc/24/22/41/597242241.db2.gz XGMHJMZCYYJKQK-JKSUJKDBSA-N 1 3 325.478 1.387 20 0 EDADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)cc1 ZINC000873265090 597242691 /nfs/dbraw/zinc/24/26/91/597242691.db2.gz GPZHSQCQPFAWEB-MTFMMBMASA-N 1 3 347.503 1.538 20 0 EDADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)OCC(=O)N2 ZINC000873293827 597249235 /nfs/dbraw/zinc/24/92/35/597249235.db2.gz PSGJIDVGVULROD-DZGCQCFKSA-N 1 3 345.443 1.827 20 0 EDADHO Cc1cc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)n(C2CCN(C)CC2)n1 ZINC000873312627 597253505 /nfs/dbraw/zinc/25/35/05/597253505.db2.gz RFJUNWOAVUCUIR-QAPCUYQASA-N 1 3 346.479 1.864 20 0 EDADHO CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000876739918 597315639 /nfs/dbraw/zinc/31/56/39/597315639.db2.gz ANCGNQSUOVAOCH-CRAIPNDOSA-N 1 3 348.466 1.495 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875372018 597404521 /nfs/dbraw/zinc/40/45/21/597404521.db2.gz JCJDIXWFMKZAAW-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000877130061 597439113 /nfs/dbraw/zinc/43/91/13/597439113.db2.gz IEDAVPTUGLEAQH-UONOGXRCSA-N 1 3 346.397 1.313 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877340463 597495644 /nfs/dbraw/zinc/49/56/44/597495644.db2.gz JPCHUKHJRAOEAO-ROUUACIJSA-N 1 3 339.443 1.252 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1(C)C ZINC000877361470 597501173 /nfs/dbraw/zinc/50/11/73/597501173.db2.gz UOOVRNLISOXAGX-DEKYYXRVSA-N 1 3 337.386 1.115 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H]3CCC4(CCOCC4)O3)CC2)CC1 ZINC000879594344 597650017 /nfs/dbraw/zinc/65/00/17/597650017.db2.gz FXDNBONETMLCLS-GOSISDBHSA-N 1 3 337.508 1.426 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)c1ccccc1 ZINC000883444803 597749262 /nfs/dbraw/zinc/74/92/62/597749262.db2.gz PWLRKXNGPRENLV-AWEZNQCLSA-N 1 3 346.397 1.229 20 0 EDADHO C[C@]12CN(CCCC(=O)NC(N)=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880021088 597812141 /nfs/dbraw/zinc/81/21/41/597812141.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 1 3 344.459 1.415 20 0 EDADHO C[C@]12CN(CCCC(=O)NC(N)=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880021088 597812144 /nfs/dbraw/zinc/81/21/44/597812144.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 1 3 344.459 1.415 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259724 597885638 /nfs/dbraw/zinc/88/56/38/597885638.db2.gz ZVMPOWPOEJGZDQ-AEFFLSMTSA-N 1 3 333.476 1.896 20 0 EDADHO N[C@H](CC1CC1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000884208812 598030169 /nfs/dbraw/zinc/03/01/69/598030169.db2.gz KOESNNWOAWWFAI-GOSISDBHSA-N 1 3 331.460 1.957 20 0 EDADHO CN(C)CCN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881132894 598084270 /nfs/dbraw/zinc/08/42/70/598084270.db2.gz QHDZMSFWHOQNOT-GOSISDBHSA-N 1 3 345.491 1.996 20 0 EDADHO CN(C)CCN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000881132894 598084273 /nfs/dbraw/zinc/08/42/73/598084273.db2.gz QHDZMSFWHOQNOT-GOSISDBHSA-N 1 3 345.491 1.996 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278510 598115950 /nfs/dbraw/zinc/11/59/50/598115950.db2.gz WVWFSGXOAJPYNW-SQWLQELKSA-N 1 3 342.447 1.250 20 0 EDADHO C[NH+](C)CC1CCC(NS(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914278705 695326423 /nfs/dbraw/zinc/32/64/23/695326423.db2.gz WEZGCDIUIGNTFX-JCYILVPMSA-N 1 3 343.537 1.512 20 0 EDADHO O=C(N[C@H]1CC[C@@H](CNCc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017794 699998864 /nfs/dbraw/zinc/99/88/64/699998864.db2.gz WZEJLULCVZBNPX-KGLIPLIRSA-N 1 3 349.504 1.541 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993728245 696354581 /nfs/dbraw/zinc/35/45/81/696354581.db2.gz HOLOWGFQECRNGC-RDJZCZTQSA-N 1 3 333.480 1.194 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2)N(C)C ZINC001040834602 697226418 /nfs/dbraw/zinc/22/64/18/697226418.db2.gz BSDLFFHKOXXGJF-MRXNPFEDSA-N 1 3 325.497 1.270 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031665554 697445711 /nfs/dbraw/zinc/44/57/11/697445711.db2.gz AFLMWEVQGNPNRU-IAGOWNOFSA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031665554 697445713 /nfs/dbraw/zinc/44/57/13/697445713.db2.gz AFLMWEVQGNPNRU-IAGOWNOFSA-N 1 3 337.508 1.722 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031686395 697516805 /nfs/dbraw/zinc/51/68/05/697516805.db2.gz MMUSVEUVQZICPN-IXDOHACOSA-N 1 3 337.508 1.580 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031686395 697516807 /nfs/dbraw/zinc/51/68/07/697516807.db2.gz MMUSVEUVQZICPN-IXDOHACOSA-N 1 3 337.508 1.580 20 0 EDADHO O=C(NCC1CN(CCc2ccccc2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688568 697525641 /nfs/dbraw/zinc/52/56/41/697525641.db2.gz IRGFTNYXVBZTHK-MOPGFXCFSA-N 1 3 343.471 1.140 20 0 EDADHO O=C(NCC1CN(CCc2ccccc2)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688568 697525644 /nfs/dbraw/zinc/52/56/44/697525644.db2.gz IRGFTNYXVBZTHK-MOPGFXCFSA-N 1 3 343.471 1.140 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(OCC)C2)C1 ZINC001031715115 697738236 /nfs/dbraw/zinc/73/82/36/697738236.db2.gz QBQXMLOCEJGPTJ-VMWRSERWSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054363 699114960 /nfs/dbraw/zinc/11/49/60/699114960.db2.gz IJWRELVSDAMONB-DYVFJYSZSA-N 1 3 333.480 1.007 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566780 701585419 /nfs/dbraw/zinc/58/54/19/701585419.db2.gz MVHXFFBTEQFPLY-QGZVFWFLSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566780 701585420 /nfs/dbraw/zinc/58/54/20/701585420.db2.gz MVHXFFBTEQFPLY-QGZVFWFLSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595895 701587531 /nfs/dbraw/zinc/58/75/31/701587531.db2.gz RDMNWIIIYGURBV-UHFFFAOYSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cncs1 ZINC000939256844 699433924 /nfs/dbraw/zinc/43/39/24/699433924.db2.gz FMHUILKSBULETD-BBRMVZONSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165004 701604801 /nfs/dbraw/zinc/60/48/01/701604801.db2.gz CMNQNBHOLAQMEC-LSDHHAIUSA-N 1 3 332.448 1.453 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccnc(Cl)c1 ZINC000939543299 699684483 /nfs/dbraw/zinc/68/44/83/699684483.db2.gz CFRUTCPPTKHODC-UKRRQHHQSA-N 1 3 348.878 1.767 20 0 EDADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH2+]Cc1nccn1C ZINC000939551217 699700513 /nfs/dbraw/zinc/70/05/13/699700513.db2.gz RGBIUWUPLRBZKF-UKRRQHHQSA-N 1 3 342.447 1.131 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000940149874 700283019 /nfs/dbraw/zinc/28/30/19/700283019.db2.gz PRDCDGUAFOZKPQ-QGZVFWFLSA-N 1 3 347.507 1.539 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000940149929 700283046 /nfs/dbraw/zinc/28/30/46/700283046.db2.gz RZBCGMYHVVJZJL-QGZVFWFLSA-N 1 3 330.476 1.893 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000940178592 700312271 /nfs/dbraw/zinc/31/22/71/700312271.db2.gz IRSMOEKSJGEQPP-KRWDZBQOSA-N 1 3 345.491 1.740 20 0 EDADHO Cn1cncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995057769 700434882 /nfs/dbraw/zinc/43/48/82/700434882.db2.gz WFHCSEXNOWJOIO-CVEARBPZSA-N 1 3 347.507 1.669 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076289 701103881 /nfs/dbraw/zinc/10/38/81/701103881.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076289 701103883 /nfs/dbraw/zinc/10/38/83/701103883.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 1 3 339.524 1.848 20 0 EDADHO Cn1ccnc1CNC[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995123558 701175392 /nfs/dbraw/zinc/17/53/92/701175392.db2.gz XICRHHSRJLNXFA-DLBZAZTESA-N 1 3 347.507 1.527 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)CC[N@@H+]1C ZINC000941413279 701528499 /nfs/dbraw/zinc/52/84/99/701528499.db2.gz UZOYHNNIQMFERW-VQIMIIECSA-N 1 3 348.535 1.345 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)CC[N@H+]1C ZINC000941413279 701528500 /nfs/dbraw/zinc/52/85/00/701528500.db2.gz UZOYHNNIQMFERW-VQIMIIECSA-N 1 3 348.535 1.345 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1cncs1 ZINC000995822299 702091268 /nfs/dbraw/zinc/09/12/68/702091268.db2.gz JZNMEXQAJZFDKO-HZPDHXFCSA-N 1 3 348.516 1.812 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995919277 702238986 /nfs/dbraw/zinc/23/89/86/702238986.db2.gz YINUXEDWUWWZBO-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995919277 702238989 /nfs/dbraw/zinc/23/89/89/702238989.db2.gz YINUXEDWUWWZBO-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186557 702274995 /nfs/dbraw/zinc/27/49/95/702274995.db2.gz RMARIKXGCLHMNZ-KRWDZBQOSA-N 1 3 331.460 1.237 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186557 702275000 /nfs/dbraw/zinc/27/50/00/702275000.db2.gz RMARIKXGCLHMNZ-KRWDZBQOSA-N 1 3 331.460 1.237 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186558 702275144 /nfs/dbraw/zinc/27/51/44/702275144.db2.gz RMARIKXGCLHMNZ-QGZVFWFLSA-N 1 3 331.460 1.237 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186558 702275148 /nfs/dbraw/zinc/27/51/48/702275148.db2.gz RMARIKXGCLHMNZ-QGZVFWFLSA-N 1 3 331.460 1.237 20 0 EDADHO C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054210 702500525 /nfs/dbraw/zinc/50/05/25/702500525.db2.gz WODKHJSVPVGAGY-HOTGVXAUSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054210 702500527 /nfs/dbraw/zinc/50/05/27/702500527.db2.gz WODKHJSVPVGAGY-HOTGVXAUSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1)N1CCCC1 ZINC000996126994 702558604 /nfs/dbraw/zinc/55/86/04/702558604.db2.gz LYBUWIFZPNDLQY-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519250 702854806 /nfs/dbraw/zinc/85/48/06/702854806.db2.gz KBTXLRAMPVBOOI-KRWDZBQOSA-N 1 3 342.487 1.812 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1cncs1 ZINC000996522019 702857671 /nfs/dbraw/zinc/85/76/71/702857671.db2.gz VAOCLFAVACODAR-AWEZNQCLSA-N 1 3 334.489 1.566 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559816 702877989 /nfs/dbraw/zinc/87/79/89/702877989.db2.gz FREGTZWBHQHGRE-HNNXBMFYSA-N 1 3 349.504 1.269 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(N[C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996690911 702986966 /nfs/dbraw/zinc/98/69/66/702986966.db2.gz GEHVDUDLFFDHDI-ZFWWWQNUSA-N 1 3 336.484 1.043 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)n1 ZINC000996692558 702989746 /nfs/dbraw/zinc/98/97/46/702989746.db2.gz NKUQSHDCMPLJSZ-SFHVURJKSA-N 1 3 349.523 1.667 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cn1 ZINC000996692536 702989914 /nfs/dbraw/zinc/98/99/14/702989914.db2.gz NHVBYHGDOYKQTR-SFHVURJKSA-N 1 3 349.523 1.612 20 0 EDADHO CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)n1 ZINC000996712476 703007440 /nfs/dbraw/zinc/00/74/40/703007440.db2.gz PNUYQQHXDOZNSQ-QGZVFWFLSA-N 1 3 348.491 1.901 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1)N(C)C ZINC000996713348 703008055 /nfs/dbraw/zinc/00/80/55/703008055.db2.gz UFFQLGMAPOXZDE-MSOLQXFVSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026692 703045008 /nfs/dbraw/zinc/04/50/08/703045008.db2.gz ILGZREXMNLVSHB-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000996764187 703056374 /nfs/dbraw/zinc/05/63/74/703056374.db2.gz KJEQQHUFUKOAQS-ABHNRTSZSA-N 1 3 336.524 1.534 20 0 EDADHO Cc1cccnc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996993862 703250466 /nfs/dbraw/zinc/25/04/66/703250466.db2.gz GMKDZJCMCDPNQK-MRXNPFEDSA-N 1 3 330.476 1.955 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997798 703254786 /nfs/dbraw/zinc/25/47/86/703254786.db2.gz GZZWGHJAVFCGPO-HNNXBMFYSA-N 1 3 345.491 1.850 20 0 EDADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997800 703255020 /nfs/dbraw/zinc/25/50/20/703255020.db2.gz GZZWGHJAVFCGPO-OAHLLOKOSA-N 1 3 345.491 1.850 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000997007917 703265265 /nfs/dbraw/zinc/26/52/65/703265265.db2.gz RTNAKNAQSPWHKR-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997114767 703367699 /nfs/dbraw/zinc/36/76/99/703367699.db2.gz GWRAGEFXSJERLS-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1)c1cnccn1 ZINC000997116018 703370190 /nfs/dbraw/zinc/37/01/90/703370190.db2.gz RDAZSARGNNUAHP-INIZCTEOSA-N 1 3 345.491 1.850 20 0 EDADHO Cc1cnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185824 703475105 /nfs/dbraw/zinc/47/51/05/703475105.db2.gz SEQHNOAVQKTPSU-JKSUJKDBSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1cnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185824 703475107 /nfs/dbraw/zinc/47/51/07/703475107.db2.gz SEQHNOAVQKTPSU-JKSUJKDBSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC000997298397 703556373 /nfs/dbraw/zinc/55/63/73/703556373.db2.gz IYOBUVNFNUZGIH-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)sc1C ZINC000997298397 703556374 /nfs/dbraw/zinc/55/63/74/703556374.db2.gz IYOBUVNFNUZGIH-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000997307057 703565599 /nfs/dbraw/zinc/56/55/99/703565599.db2.gz MTGVTSFVPJRGSC-UHFFFAOYSA-N 1 3 336.505 1.936 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079001 704130746 /nfs/dbraw/zinc/13/07/46/704130746.db2.gz YZBIIHIZWYKQJP-HOTGVXAUSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079001 704130748 /nfs/dbraw/zinc/13/07/48/704130748.db2.gz YZBIIHIZWYKQJP-HOTGVXAUSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@@H](C)CN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079001 704130750 /nfs/dbraw/zinc/13/07/50/704130750.db2.gz YZBIIHIZWYKQJP-HOTGVXAUSA-N 1 3 325.497 1.819 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2CC)C1 ZINC000999300817 706803159 /nfs/dbraw/zinc/80/31/59/706803159.db2.gz BAVDLKVZMHIZOT-DOTOQJQBSA-N 1 3 348.495 1.253 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnnn2CC)C1 ZINC000999300817 706803160 /nfs/dbraw/zinc/80/31/60/706803160.db2.gz BAVDLKVZMHIZOT-DOTOQJQBSA-N 1 3 348.495 1.253 20 0 EDADHO C[C@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997692569 704565831 /nfs/dbraw/zinc/56/58/31/704565831.db2.gz VAPPKROVWUIGJJ-PYMACOCMSA-N 1 3 347.503 1.476 20 0 EDADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792632 704701556 /nfs/dbraw/zinc/70/15/56/704701556.db2.gz JFSOPZVEYBHPJX-XJKCOSOUSA-N 1 3 348.495 1.343 20 0 EDADHO Cc1nnc([C@@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792632 704701558 /nfs/dbraw/zinc/70/15/58/704701558.db2.gz JFSOPZVEYBHPJX-XJKCOSOUSA-N 1 3 348.495 1.343 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2OC)CC1)N(C)C ZINC000997854332 704766433 /nfs/dbraw/zinc/76/64/33/704766433.db2.gz BQDMOLBKTGAKLS-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCCO)CC1 ZINC000997870060 704776485 /nfs/dbraw/zinc/77/64/85/704776485.db2.gz BMFFOXHTZUHEGK-INIZCTEOSA-N 1 3 347.503 1.961 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092153 705061955 /nfs/dbraw/zinc/06/19/55/705061955.db2.gz PPZGVUVEDXMIPF-MAUKXSAKSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092153 705061960 /nfs/dbraw/zinc/06/19/60/705061960.db2.gz PPZGVUVEDXMIPF-MAUKXSAKSA-N 1 3 333.476 1.835 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000998081315 705302332 /nfs/dbraw/zinc/30/23/32/705302332.db2.gz IUEDVYMFLPHIFB-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000998081315 705302335 /nfs/dbraw/zinc/30/23/35/705302335.db2.gz IUEDVYMFLPHIFB-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998082013 705308262 /nfs/dbraw/zinc/30/82/62/705308262.db2.gz NBYABHOHSMDCFT-INIZCTEOSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082523 705309947 /nfs/dbraw/zinc/30/99/47/705309947.db2.gz QJWSORMOEMGBEZ-GJZGRUSLSA-N 1 3 348.495 1.046 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082523 705309951 /nfs/dbraw/zinc/30/99/51/705309951.db2.gz QJWSORMOEMGBEZ-GJZGRUSLSA-N 1 3 348.495 1.046 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000998084103 705314473 /nfs/dbraw/zinc/31/44/73/705314473.db2.gz ZOCRSUWKQSHQBT-LSDHHAIUSA-N 1 3 348.495 1.189 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000998084103 705314477 /nfs/dbraw/zinc/31/44/77/705314477.db2.gz ZOCRSUWKQSHQBT-LSDHHAIUSA-N 1 3 348.495 1.189 20 0 EDADHO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)o1 ZINC000998273534 705653769 /nfs/dbraw/zinc/65/37/69/705653769.db2.gz JMRFSUBOHKYGNQ-UHFFFAOYSA-N 1 3 334.464 1.715 20 0 EDADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)on1 ZINC000946517194 706520570 /nfs/dbraw/zinc/52/05/70/706520570.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)on1 ZINC000946517194 706520573 /nfs/dbraw/zinc/52/05/73/706520573.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999407538 706917452 /nfs/dbraw/zinc/91/74/52/706917452.db2.gz WWPLBIFJYRFOQY-GTPINHCMSA-N 1 3 330.476 1.953 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999410585 706920153 /nfs/dbraw/zinc/92/01/53/706920153.db2.gz ZDFXZEDZPFZUBY-UHFFFAOYSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999468850 706977853 /nfs/dbraw/zinc/97/78/53/706977853.db2.gz JIDXHXSVVFDAGD-UHFFFAOYSA-N 1 3 328.416 1.224 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC[C@H]3CCCO3)C2)CC1 ZINC000999598188 707100873 /nfs/dbraw/zinc/10/08/73/707100873.db2.gz KLNQJLHWHQBEBF-DAWZGUTISA-N 1 3 337.508 1.866 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795219 707366710 /nfs/dbraw/zinc/36/67/10/707366710.db2.gz YLXWBYGRQCYMIB-WMZOPIPTSA-N 1 3 345.491 1.375 20 0 EDADHO C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800353 707451138 /nfs/dbraw/zinc/45/11/38/707451138.db2.gz AMPOMBWQSBIWHJ-CBZIJGRNSA-N 1 3 346.475 1.690 20 0 EDADHO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800353 707451141 /nfs/dbraw/zinc/45/11/41/707451141.db2.gz AMPOMBWQSBIWHJ-CBZIJGRNSA-N 1 3 346.475 1.690 20 0 EDADHO C[C@@H](NCc1cnn(C)c1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926599 707668546 /nfs/dbraw/zinc/66/85/46/707668546.db2.gz MAWVXINHNDRSGM-CRAIPNDOSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H](C[NH2+]Cc1csc(-c2ccn(C)n2)n1)N1CCN(C)CC1 ZINC000921690269 707719821 /nfs/dbraw/zinc/71/98/21/707719821.db2.gz PEAMZAWAFAKRNB-CYBMUJFWSA-N 1 3 334.493 1.269 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033390356 707764237 /nfs/dbraw/zinc/76/42/37/707764237.db2.gz JSRKDTLWIKAHGM-LJQANCHMSA-N 1 3 345.487 1.553 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001000185149 707823800 /nfs/dbraw/zinc/82/38/00/707823800.db2.gz PLQWTWVSCMWYLY-RDJZCZTQSA-N 1 3 346.475 1.655 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001000185149 707823802 /nfs/dbraw/zinc/82/38/02/707823802.db2.gz PLQWTWVSCMWYLY-RDJZCZTQSA-N 1 3 346.475 1.655 20 0 EDADHO O=C(NCC1=CCN(CCOC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001000707552 708062584 /nfs/dbraw/zinc/06/25/84/708062584.db2.gz HDZQKNUJYFFOPJ-IBGZPJMESA-N 1 3 347.503 1.646 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182601 708128982 /nfs/dbraw/zinc/12/89/82/708128982.db2.gz DRGQBCQZAYRDSI-RTBURBONSA-N 1 3 345.487 1.737 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831894 708357601 /nfs/dbraw/zinc/35/76/01/708357601.db2.gz BFXZTJUHYBTEMO-VQIMIIECSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831894 708357605 /nfs/dbraw/zinc/35/76/05/708357605.db2.gz BFXZTJUHYBTEMO-VQIMIIECSA-N 1 3 344.503 1.916 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034044433 709296623 /nfs/dbraw/zinc/29/66/23/709296623.db2.gz BABVXDGDAPLWJQ-CRAIPNDOSA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034044433 709296624 /nfs/dbraw/zinc/29/66/24/709296624.db2.gz BABVXDGDAPLWJQ-CRAIPNDOSA-N 1 3 333.476 1.665 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791411 709399255 /nfs/dbraw/zinc/39/92/55/709399255.db2.gz IDTXHBWYRUWNOS-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953777 709653703 /nfs/dbraw/zinc/65/37/03/709653703.db2.gz CKTOFBWDHGRFPJ-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCCCN(CCO)C1 ZINC001034330266 709784664 /nfs/dbraw/zinc/78/46/64/709784664.db2.gz LSLQVNAMMVROCV-KRWDZBQOSA-N 1 3 333.476 1.367 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCCN(CCn2cccn2)C1)[NH+]1CCCC1 ZINC001034340837 709806551 /nfs/dbraw/zinc/80/65/51/709806551.db2.gz WFRSHUOGROBURZ-KRWDZBQOSA-N 1 3 347.507 1.728 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCCN(CCOC)C2)C1 ZINC001034369764 709855476 /nfs/dbraw/zinc/85/54/76/709855476.db2.gz UZKXCUHCRVUFEI-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCCN(CCOC)C2)C1 ZINC001034369764 709855484 /nfs/dbraw/zinc/85/54/84/709855484.db2.gz UZKXCUHCRVUFEI-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001034439205 710015603 /nfs/dbraw/zinc/01/56/03/710015603.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO COCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001034439205 710015607 /nfs/dbraw/zinc/01/56/07/710015607.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003334530 710258473 /nfs/dbraw/zinc/25/84/73/710258473.db2.gz WOSVUQOWXDIKKN-CMVHYPBASA-N 1 3 349.519 1.866 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648767 710325284 /nfs/dbraw/zinc/32/52/84/710325284.db2.gz NYCYGHGLCBGNRL-BRWVUGGUSA-N 1 3 346.475 1.842 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001034654535 710329298 /nfs/dbraw/zinc/32/92/98/710329298.db2.gz YGWWQSIXCNMYHS-XSLAGTTESA-N 1 3 335.492 1.667 20 0 EDADHO Cc1cc(C)n(CC[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)n1 ZINC001003625284 710454350 /nfs/dbraw/zinc/45/43/50/710454350.db2.gz DWRZAZOKPJBRBR-HNNXBMFYSA-N 1 3 347.507 1.422 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735624 710921054 /nfs/dbraw/zinc/92/10/54/710921054.db2.gz JMLCELOBMINFLX-ULQDDVLXSA-N 1 3 333.480 1.384 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034792431 711119299 /nfs/dbraw/zinc/11/92/99/711119299.db2.gz JPOODKXODSIPLX-QKPAOTATSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034792431 711119305 /nfs/dbraw/zinc/11/93/05/711119305.db2.gz JPOODKXODSIPLX-QKPAOTATSA-N 1 3 331.464 1.506 20 0 EDADHO CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740701 711274984 /nfs/dbraw/zinc/27/49/84/711274984.db2.gz FYQNATJQKSSEIH-KGXSXCIVSA-N 1 3 349.519 1.819 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034884853 711289002 /nfs/dbraw/zinc/28/90/02/711289002.db2.gz MGZWFDCTBRMNPB-QZTJIDSGSA-N 1 3 331.460 1.354 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CCF)c3)C2)[C@@H]1C(C)C ZINC000922392091 711457474 /nfs/dbraw/zinc/45/74/74/711457474.db2.gz CTTXQWXQABYYNN-BDXSIMOUSA-N 1 3 338.471 1.812 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn(CCF)c3)C2)[C@@H]1C(C)C ZINC000922392091 711457475 /nfs/dbraw/zinc/45/74/75/711457475.db2.gz CTTXQWXQABYYNN-BDXSIMOUSA-N 1 3 338.471 1.812 20 0 EDADHO CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615890 712075606 /nfs/dbraw/zinc/07/56/06/712075606.db2.gz IVDUSMSHUMFEKR-AEFFLSMTSA-N 1 3 337.508 1.820 20 0 EDADHO CO[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615890 712075608 /nfs/dbraw/zinc/07/56/08/712075608.db2.gz IVDUSMSHUMFEKR-AEFFLSMTSA-N 1 3 337.508 1.820 20 0 EDADHO CN1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000248040610 282142152 /nfs/dbraw/zinc/14/21/52/282142152.db2.gz LXUPWAQYZRADNY-SOLBZPMBSA-N 1 3 334.464 1.044 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-n2cnnn2)c1 ZINC000150946575 539726370 /nfs/dbraw/zinc/72/63/70/539726370.db2.gz JOGXJVRHIJJJIK-HNNXBMFYSA-N 1 3 343.479 1.339 20 0 EDADHO CCOC(=O)C1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000442891337 305230371 /nfs/dbraw/zinc/23/03/71/305230371.db2.gz RBBFXQJCDHHLSV-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182516027 234649169 /nfs/dbraw/zinc/64/91/69/234649169.db2.gz IOALKBLKDIYHJH-IBGZPJMESA-N 1 3 347.503 1.370 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)COC2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000563200804 306322903 /nfs/dbraw/zinc/32/29/03/306322903.db2.gz DMTOQDJJXPYIBV-NUWOQIAWSA-N 1 3 341.496 1.279 20 0 EDADHO CC[N@@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000412850982 304041887 /nfs/dbraw/zinc/04/18/87/304041887.db2.gz VHZYNHUOTIOUDW-GOSISDBHSA-N 1 3 344.503 1.799 20 0 EDADHO CC[N@H+]1CC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000412850982 304041888 /nfs/dbraw/zinc/04/18/88/304041888.db2.gz VHZYNHUOTIOUDW-GOSISDBHSA-N 1 3 344.503 1.799 20 0 EDADHO CN1CCC[N@H+](CCCNCc2cncc(Br)c2)CC1 ZINC000183700931 540139917 /nfs/dbraw/zinc/13/99/17/540139917.db2.gz PFLZXPLWUPUJCN-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2cncc(Br)c2)CC1 ZINC000183700931 540139920 /nfs/dbraw/zinc/13/99/20/540139920.db2.gz PFLZXPLWUPUJCN-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563889600 306351598 /nfs/dbraw/zinc/35/15/98/306351598.db2.gz PPORCZQBFCMOAI-INIZCTEOSA-N 1 3 331.460 1.576 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000413735084 304075223 /nfs/dbraw/zinc/07/52/23/304075223.db2.gz XGIJRGUGBOKTPQ-BZUAXINKSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CS[C@H](C)C1 ZINC000413735084 304075226 /nfs/dbraw/zinc/07/52/26/304075226.db2.gz XGIJRGUGBOKTPQ-BZUAXINKSA-N 1 3 342.553 1.938 20 0 EDADHO CN(CCNC(=O)Nc1ccn(CC[NH+](C)C)n1)Cc1ccccc1 ZINC000173948316 237270683 /nfs/dbraw/zinc/27/06/83/237270683.db2.gz WMWPUASYZCYKNA-UHFFFAOYSA-N 1 3 344.463 1.698 20 0 EDADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000564949356 306371092 /nfs/dbraw/zinc/37/10/92/306371092.db2.gz HYNBUTOLHRPMCV-SJLPKXTDSA-N 1 3 330.476 1.881 20 0 EDADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000564949354 306371134 /nfs/dbraw/zinc/37/11/34/306371134.db2.gz HYNBUTOLHRPMCV-AEFFLSMTSA-N 1 3 330.476 1.881 20 0 EDADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)c(F)c1 ZINC000414706952 304130969 /nfs/dbraw/zinc/13/09/69/304130969.db2.gz LVUPSNFZGVLFMJ-LBPRGKRZSA-N 1 3 325.403 1.987 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCCC1 ZINC000414737932 304134871 /nfs/dbraw/zinc/13/48/71/304134871.db2.gz OQEZDZICIYFLKT-KRWDZBQOSA-N 1 3 346.475 1.581 20 0 EDADHO COc1ccc2c(c1OC)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000414759741 304137955 /nfs/dbraw/zinc/13/79/55/304137955.db2.gz PBNBXSWMQUDMMP-AWEZNQCLSA-N 1 3 347.459 1.259 20 0 EDADHO COc1ccc2c(c1OC)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000414759741 304137956 /nfs/dbraw/zinc/13/79/56/304137956.db2.gz PBNBXSWMQUDMMP-AWEZNQCLSA-N 1 3 347.459 1.259 20 0 EDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892512 296120445 /nfs/dbraw/zinc/12/04/45/296120445.db2.gz SHTHFYUSOLFKMV-CQSZACIVSA-N 1 3 337.489 1.849 20 0 EDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892512 296120446 /nfs/dbraw/zinc/12/04/46/296120446.db2.gz SHTHFYUSOLFKMV-CQSZACIVSA-N 1 3 337.489 1.849 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758971 284124868 /nfs/dbraw/zinc/12/48/68/284124868.db2.gz KAJIKGBQDWDEOW-NWANDNLSSA-N 1 3 342.434 1.642 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418758971 284124871 /nfs/dbraw/zinc/12/48/71/284124871.db2.gz KAJIKGBQDWDEOW-NWANDNLSSA-N 1 3 342.434 1.642 20 0 EDADHO COCCC(=O)N1CCC(N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415078563 304158303 /nfs/dbraw/zinc/15/83/03/304158303.db2.gz IWTCPWPWLVRJEG-NVXWUHKLSA-N 1 3 325.497 1.914 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000415094682 304159225 /nfs/dbraw/zinc/15/92/25/304159225.db2.gz XQOCPTQBLPXUTL-GFCCVEGCSA-N 1 3 327.831 1.809 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104262 304160522 /nfs/dbraw/zinc/16/05/22/304160522.db2.gz KOJKKMYUGITERM-YOEHRIQHSA-N 1 3 341.459 1.897 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120692 304161643 /nfs/dbraw/zinc/16/16/43/304161643.db2.gz LWEPVPAEAXJWBK-WBVHZDCISA-N 1 3 330.476 1.795 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120688 304161695 /nfs/dbraw/zinc/16/16/95/304161695.db2.gz LWEPVPAEAXJWBK-NVXWUHKLSA-N 1 3 330.476 1.795 20 0 EDADHO COc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1 ZINC000415123947 304161929 /nfs/dbraw/zinc/16/19/29/304161929.db2.gz BONIACWTBRXANN-MSOLQXFVSA-N 1 3 332.444 1.904 20 0 EDADHO Cc1c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cnn1C ZINC000415138403 304163512 /nfs/dbraw/zinc/16/35/12/304163512.db2.gz VCQMRGMEZBUPNE-UHFFFAOYSA-N 1 3 327.476 1.812 20 0 EDADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000236986223 139037193 /nfs/dbraw/zinc/03/71/93/139037193.db2.gz FVZGAGHSFFAIOJ-VQIMIIECSA-N 1 3 346.519 1.814 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415179287 304171583 /nfs/dbraw/zinc/17/15/83/304171583.db2.gz LCJXWXCAQFECEO-QGZVFWFLSA-N 1 3 344.459 1.214 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)CC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000237663500 139057399 /nfs/dbraw/zinc/05/73/99/139057399.db2.gz NAHYKYAIVHIZCB-GJZGRUSLSA-N 1 3 325.497 1.852 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)CC1 ZINC000237859506 139062131 /nfs/dbraw/zinc/06/21/31/139062131.db2.gz WVFGSEBHCAMTPW-MRXNPFEDSA-N 1 3 330.432 1.074 20 0 EDADHO C[C@@H](CNC(=O)NCC1CCN(CCO)CC1)C[NH+]1CCCCC1 ZINC000111834931 220202088 /nfs/dbraw/zinc/20/20/88/220202088.db2.gz KMJZBPHJBWEYHQ-INIZCTEOSA-N 1 3 340.512 1.112 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000238088586 139068598 /nfs/dbraw/zinc/06/85/98/139068598.db2.gz PZXWZTRZCCONPE-ROUUACIJSA-N 1 3 347.528 1.762 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000238088586 139068599 /nfs/dbraw/zinc/06/85/99/139068599.db2.gz PZXWZTRZCCONPE-ROUUACIJSA-N 1 3 347.528 1.762 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000111858156 220211058 /nfs/dbraw/zinc/21/10/58/220211058.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000111858156 220211061 /nfs/dbraw/zinc/21/10/61/220211061.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246700 304178470 /nfs/dbraw/zinc/17/84/70/304178470.db2.gz XQJKISCFVOMGSK-ZQIUZPCESA-N 1 3 344.459 1.273 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2c2cc(NC)ncn2)[C@@H](C)C1 ZINC000246264155 139101614 /nfs/dbraw/zinc/10/16/14/139101614.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 1 3 332.496 1.807 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2c2cc(NC)ncn2)[C@@H](C)C1 ZINC000246264155 139101615 /nfs/dbraw/zinc/10/16/15/139101615.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 1 3 332.496 1.807 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000415366017 304205027 /nfs/dbraw/zinc/20/50/27/304205027.db2.gz VLFNZFNZENNBBW-HNNXBMFYSA-N 1 3 332.448 1.274 20 0 EDADHO N[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCOCC1 ZINC000261705251 139219218 /nfs/dbraw/zinc/21/92/18/139219218.db2.gz IJHATZNNFVYTPA-GOSISDBHSA-N 1 3 331.460 1.653 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cccc(OC(F)(F)F)c2)C1 ZINC000261772497 139224599 /nfs/dbraw/zinc/22/45/99/139224599.db2.gz XBIOHPFLFPRQGD-CYBMUJFWSA-N 1 3 345.365 1.872 20 0 EDADHO CCCOc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128110 139253228 /nfs/dbraw/zinc/25/32/28/139253228.db2.gz NLRCDNOFHSMDMH-KRWDZBQOSA-N 1 3 333.476 1.964 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCOCC1 ZINC000262135129 139253921 /nfs/dbraw/zinc/25/39/21/139253921.db2.gz GTXAKUILFRWITP-CQSZACIVSA-N 1 3 337.489 1.757 20 0 EDADHO COCC1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000262293579 139267335 /nfs/dbraw/zinc/26/73/35/139267335.db2.gz WJGDZXVPCRCWAL-GOSISDBHSA-N 1 3 345.487 1.956 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417088488 251141609 /nfs/dbraw/zinc/14/16/09/251141609.db2.gz HHBZKBJZUSUNNO-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417203194 251146266 /nfs/dbraw/zinc/14/62/66/251146266.db2.gz YLHANDYQNHQAKI-KURKYZTESA-N 1 3 330.476 1.410 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417535924 251184514 /nfs/dbraw/zinc/18/45/14/251184514.db2.gz CMLPAXVARFFJIO-UHFFFAOYSA-N 1 3 328.501 1.693 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417541804 251185234 /nfs/dbraw/zinc/18/52/34/251185234.db2.gz YYAMCKXAAAWMFK-HZPDHXFCSA-N 1 3 340.512 1.789 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417578136 251195509 /nfs/dbraw/zinc/19/55/09/251195509.db2.gz KYLYSHXQQODKLO-CGTJXYLNSA-N 1 3 348.491 1.655 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417629723 251208426 /nfs/dbraw/zinc/20/84/26/251208426.db2.gz SXIZGQHGHSAUFW-OAHLLOKOSA-N 1 3 342.553 1.893 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417761454 251259501 /nfs/dbraw/zinc/25/95/01/251259501.db2.gz ZCGMEOWRRDVMSQ-SJORKVTESA-N 1 3 339.528 1.091 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000417814617 251280355 /nfs/dbraw/zinc/28/03/55/251280355.db2.gz RYIADMFACBHAPF-OAHLLOKOSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418110485 251325171 /nfs/dbraw/zinc/32/51/71/251325171.db2.gz FESZAZMDZKPUBA-OAGGEKHMSA-N 1 3 326.485 1.256 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152962 251345610 /nfs/dbraw/zinc/34/56/10/251345610.db2.gz UKRMDKZBAIIVGY-MSOLQXFVSA-N 1 3 346.475 1.266 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000418162661 251350453 /nfs/dbraw/zinc/35/04/53/251350453.db2.gz GMACPRNRTQGFAJ-GOSISDBHSA-N 1 3 346.475 1.696 20 0 EDADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418755033 251414168 /nfs/dbraw/zinc/41/41/68/251414168.db2.gz WZNRBSCHYXDHOP-CQSZACIVSA-N 1 3 332.439 1.891 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689092 251385930 /nfs/dbraw/zinc/38/59/30/251385930.db2.gz UVWCKTYLLRKHEQ-BPQIPLTHSA-N 1 3 330.476 1.725 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633335 139291677 /nfs/dbraw/zinc/29/16/77/139291677.db2.gz GIGKMHIFHQIPKS-APWZRJJASA-N 1 3 344.503 1.568 20 0 EDADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(CC2CCOCC2)CC1 ZINC000262658970 139293758 /nfs/dbraw/zinc/29/37/58/139293758.db2.gz DXZPPFHXPDRYEI-AYHJJNSGSA-N 1 3 335.492 1.478 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262664695 139294434 /nfs/dbraw/zinc/29/44/34/139294434.db2.gz INQGYKPRDWUOCH-GOSISDBHSA-N 1 3 334.464 1.112 20 0 EDADHO CCC[C@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666738 139294807 /nfs/dbraw/zinc/29/48/07/139294807.db2.gz KRGBSIKRLHWDJN-ZWKOTPCHSA-N 1 3 333.476 1.676 20 0 EDADHO CN(C)CCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894930 252015424 /nfs/dbraw/zinc/01/54/24/252015424.db2.gz DMXVPFGLOHWXPK-HSALFYBXSA-N 1 3 347.503 1.874 20 0 EDADHO C[C@](CO)(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072287 252035258 /nfs/dbraw/zinc/03/52/58/252035258.db2.gz IXXKPBPMJGTDAH-UAFMIMERSA-N 1 3 332.488 1.974 20 0 EDADHO C[C@@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422911216 252019806 /nfs/dbraw/zinc/01/98/06/252019806.db2.gz KJEMAGVEFCHWRR-QZTJIDSGSA-N 1 3 344.503 1.703 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422911779 252020583 /nfs/dbraw/zinc/02/05/83/252020583.db2.gz LLQGTJDIVSKAPV-ZWKOTPCHSA-N 1 3 332.492 1.728 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000424005349 252112859 /nfs/dbraw/zinc/11/28/59/252112859.db2.gz STCAIBFWMAQPNW-AEFFLSMTSA-N 1 3 344.503 1.885 20 0 EDADHO C[C@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@H](N)c1ccccc1 ZINC000424035181 252122154 /nfs/dbraw/zinc/12/21/54/252122154.db2.gz DVGRDGWKAKCMED-RANZSIQMSA-N 1 3 343.471 1.550 20 0 EDADHO [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154494 252147775 /nfs/dbraw/zinc/14/77/75/252147775.db2.gz MNQIBSHADQIBNI-AAEUAGOBSA-N 1 3 340.431 1.340 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180288 252154517 /nfs/dbraw/zinc/15/45/17/252154517.db2.gz NXCIITUZBPAEHA-DLBZAZTESA-N 1 3 325.497 1.853 20 0 EDADHO CN(C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCC1 ZINC000424199526 252160372 /nfs/dbraw/zinc/16/03/72/252160372.db2.gz YWFIZCMHAFWKFD-OAHLLOKOSA-N 1 3 334.468 1.149 20 0 EDADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000424129709 252134480 /nfs/dbraw/zinc/13/44/80/252134480.db2.gz GNPIIYSWCBCDRB-HOTGVXAUSA-N 1 3 346.479 1.293 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229157 252173161 /nfs/dbraw/zinc/17/31/61/252173161.db2.gz WHJFCAUJCFSRGE-DLBZAZTESA-N 1 3 327.432 1.049 20 0 EDADHO [NH3+]C[C@@H](CN1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000424303900 252193546 /nfs/dbraw/zinc/19/35/46/252193546.db2.gz PPPOECAMPKWDJQ-KRWDZBQOSA-N 1 3 348.466 1.108 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000424464076 252238665 /nfs/dbraw/zinc/23/86/65/252238665.db2.gz IMVJPNJMEMGNNA-CJNGLKHVSA-N 1 3 330.432 1.087 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCCC2)c1 ZINC000424435371 252230553 /nfs/dbraw/zinc/23/05/53/252230553.db2.gz GGKGCWIDHQPCLM-QGZVFWFLSA-N 1 3 346.475 1.629 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424442525 252233711 /nfs/dbraw/zinc/23/37/11/252233711.db2.gz ALVUNGPFPTUOGI-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000246019589 285009615 /nfs/dbraw/zinc/00/96/15/285009615.db2.gz UVCXAZYZZAIOPR-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000246019589 285009618 /nfs/dbraw/zinc/00/96/18/285009618.db2.gz UVCXAZYZZAIOPR-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061035 285054576 /nfs/dbraw/zinc/05/45/76/285054576.db2.gz IHSIPMHTLKGNDF-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCN(CCc2ccccn2)CC1 ZINC000444185459 254587936 /nfs/dbraw/zinc/58/79/36/254587936.db2.gz QINIMGJWAYSRHZ-QUCCMNQESA-N 1 3 342.487 1.547 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1 ZINC000154083662 224200679 /nfs/dbraw/zinc/20/06/79/224200679.db2.gz RASMUYBRPGQQJZ-CALCHBBNSA-N 1 3 330.476 1.408 20 0 EDADHO C[C@@]1(CO)CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@]2(C)CO)COC1 ZINC000493649569 255218433 /nfs/dbraw/zinc/21/84/33/255218433.db2.gz AFNMEHLTVZVLKV-FZDBZEDMSA-N 1 3 340.508 1.284 20 0 EDADHO C[C@@]1(CO)CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@]2(C)CO)COC1 ZINC000493649569 255218434 /nfs/dbraw/zinc/21/84/34/255218434.db2.gz AFNMEHLTVZVLKV-FZDBZEDMSA-N 1 3 340.508 1.284 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@@](C)(CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000495336889 255281671 /nfs/dbraw/zinc/28/16/71/255281671.db2.gz NVFCBKPNKONSKA-QAPCUYQASA-N 1 3 341.496 1.680 20 0 EDADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc2c(c1)CNCC2 ZINC000415886416 304284473 /nfs/dbraw/zinc/28/44/73/304284473.db2.gz UVFIJFMMJCNDKV-SFHVURJKSA-N 1 3 346.475 1.691 20 0 EDADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccc2c(c1)CNCC2 ZINC000415886416 304284476 /nfs/dbraw/zinc/28/44/76/304284476.db2.gz UVFIJFMMJCNDKV-SFHVURJKSA-N 1 3 346.475 1.691 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000416238054 304298857 /nfs/dbraw/zinc/29/88/57/304298857.db2.gz GTBLBAQNGJXLFR-ROUUACIJSA-N 1 3 333.476 1.642 20 0 EDADHO c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000271458905 140298524 /nfs/dbraw/zinc/29/85/24/140298524.db2.gz WRXRLLZKGXBHDI-VQTJNVASSA-N 1 3 329.488 1.915 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@@H](CN4CCOCC4)C3)C2)cc1 ZINC000271458905 140298526 /nfs/dbraw/zinc/29/85/26/140298526.db2.gz WRXRLLZKGXBHDI-VQTJNVASSA-N 1 3 329.488 1.915 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000331907236 141096500 /nfs/dbraw/zinc/09/65/00/141096500.db2.gz LMCFPKZAYAJIOV-JZXOWHBKSA-N 1 3 336.480 1.065 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000332176006 141135476 /nfs/dbraw/zinc/13/54/76/141135476.db2.gz XHNIWWMUMKEOOR-HNNXBMFYSA-N 1 3 331.464 1.702 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)CN1 ZINC000333510326 141329043 /nfs/dbraw/zinc/32/90/43/141329043.db2.gz FIQYOTVNIDALSC-CABCVRRESA-N 1 3 331.464 1.690 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@H]1[NH3+] ZINC000333800649 141384084 /nfs/dbraw/zinc/38/40/84/141384084.db2.gz OAQLSGIGVKQEFV-CZUORRHYSA-N 1 3 336.505 1.949 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000333806190 141385175 /nfs/dbraw/zinc/38/51/75/141385175.db2.gz IOIAFQBNYFEIGN-INMHGKMJSA-N 1 3 338.496 1.399 20 0 EDADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)COC1CNC1 ZINC000572406541 306588023 /nfs/dbraw/zinc/58/80/23/306588023.db2.gz VCALEMYVPMRZET-AEFFLSMTSA-N 1 3 331.460 1.174 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861489 142180886 /nfs/dbraw/zinc/18/08/86/142180886.db2.gz QVSYZKFQTVFCLW-GOEBONIOSA-N 1 3 336.484 1.528 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861489 142180887 /nfs/dbraw/zinc/18/08/87/142180887.db2.gz QVSYZKFQTVFCLW-GOEBONIOSA-N 1 3 336.484 1.528 20 0 EDADHO CCN1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344288 143194313 /nfs/dbraw/zinc/19/43/13/143194313.db2.gz DASOVIVZNLCQRM-CVEARBPZSA-N 1 3 339.528 1.137 20 0 EDADHO COC(=O)CCn1nc(C)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000346814133 143248261 /nfs/dbraw/zinc/24/82/61/143248261.db2.gz BQLSELQXPJLYSQ-XIRDDKMYSA-N 1 3 334.464 1.622 20 0 EDADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000347320812 143308045 /nfs/dbraw/zinc/30/80/45/143308045.db2.gz TXGRINCFMVQXAM-YJBOKZPZSA-N 1 3 334.508 1.288 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000347582578 143337368 /nfs/dbraw/zinc/33/73/68/143337368.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000347582578 143337369 /nfs/dbraw/zinc/33/73/69/143337369.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 1 3 326.485 1.076 20 0 EDADHO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1)C(C)C ZINC000347936768 143381296 /nfs/dbraw/zinc/38/12/96/143381296.db2.gz UKGLQZBFTCUMPZ-SIXWZSSISA-N 1 3 337.508 1.959 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362665066 292168392 /nfs/dbraw/zinc/16/83/92/292168392.db2.gz COXYYTYRYAAAPA-GDBMZVCRSA-N 1 3 340.512 1.467 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)[C@@H](C)C1 ZINC000358104755 286063155 /nfs/dbraw/zinc/06/31/55/286063155.db2.gz YQJYIOGRWMJXCO-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000369917770 155232332 /nfs/dbraw/zinc/23/23/32/155232332.db2.gz FLIYVKKLBBLXPW-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO CO[C@@H](CN)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353424294 149399842 /nfs/dbraw/zinc/39/98/42/149399842.db2.gz FORXXLZFDDCYTB-INIZCTEOSA-N 1 3 348.447 1.413 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971985 304357712 /nfs/dbraw/zinc/35/77/12/304357712.db2.gz FHFJMQZUTNRMPB-RHSMWYFYSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000416974640 304359098 /nfs/dbraw/zinc/35/90/98/304359098.db2.gz XPCGFIXTLLUHEM-HOCLYGCPSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1CN(C[C@H](O)COc2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355029078 150082794 /nfs/dbraw/zinc/08/27/94/150082794.db2.gz ITNDMZGPYCMYGQ-MJGOQNOKSA-N 1 3 347.503 1.527 20 0 EDADHO C[C@@H]1CN(C[C@H](O)COc2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000355029078 150082795 /nfs/dbraw/zinc/08/27/95/150082795.db2.gz ITNDMZGPYCMYGQ-MJGOQNOKSA-N 1 3 347.503 1.527 20 0 EDADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCCOC1 ZINC000355039594 150087386 /nfs/dbraw/zinc/08/73/86/150087386.db2.gz AYVXUSYJNJXSMV-JQHSSLGASA-N 1 3 333.476 1.810 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417046047 304366251 /nfs/dbraw/zinc/36/62/51/304366251.db2.gz ZDTQVXCWHVQHSH-MAUKXSAKSA-N 1 3 330.476 1.732 20 0 EDADHO COc1cccc(CNC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495965 151395240 /nfs/dbraw/zinc/39/52/40/151395240.db2.gz IJYBRQBKDUXAGX-OAHLLOKOSA-N 1 3 331.460 1.775 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCSC1 ZINC000360377824 152011955 /nfs/dbraw/zinc/01/19/55/152011955.db2.gz NYTSLEXQGOSLNL-QGZVFWFLSA-N 1 3 342.553 1.987 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000360396666 152020421 /nfs/dbraw/zinc/02/04/21/152020421.db2.gz CDMSTQPNEKVJNC-QGZVFWFLSA-N 1 3 340.537 1.597 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360889439 152242463 /nfs/dbraw/zinc/24/24/63/152242463.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 1 3 336.480 1.118 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360889439 152242465 /nfs/dbraw/zinc/24/24/65/152242465.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 1 3 336.480 1.118 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000364097784 153144404 /nfs/dbraw/zinc/14/44/04/153144404.db2.gz DTHMIQJATYKMML-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417203002 304384425 /nfs/dbraw/zinc/38/44/25/304384425.db2.gz YCSCVMAMPRZFLW-FUHWJXTLSA-N 1 3 330.476 1.695 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447703 155039529 /nfs/dbraw/zinc/03/95/29/155039529.db2.gz KZZATYYADDUJIZ-OAGGEKHMSA-N 1 3 340.512 1.515 20 0 EDADHO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029627 /nfs/dbraw/zinc/02/96/27/157029627.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 1 3 344.503 1.699 20 0 EDADHO C[N@H+](Cc1cccnc1)C[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029632 /nfs/dbraw/zinc/02/96/32/157029632.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 1 3 344.503 1.699 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374417197 157283827 /nfs/dbraw/zinc/28/38/27/157283827.db2.gz BSYWVPJHYWMSIO-GJZGRUSLSA-N 1 3 325.522 1.995 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374417197 157283831 /nfs/dbraw/zinc/28/38/31/157283831.db2.gz BSYWVPJHYWMSIO-GJZGRUSLSA-N 1 3 325.522 1.995 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCOCC1 ZINC000377892921 158022705 /nfs/dbraw/zinc/02/27/05/158022705.db2.gz FQJJRNKSFTVVQR-KRWDZBQOSA-N 1 3 329.460 1.426 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174857 /nfs/dbraw/zinc/17/48/57/162174857.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 1 3 344.459 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174858 /nfs/dbraw/zinc/17/48/58/162174858.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 1 3 344.459 1.286 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418213292 304464913 /nfs/dbraw/zinc/46/49/13/304464913.db2.gz VYEIRYZSCLGATJ-RHSMWYFYSA-N 1 3 336.480 1.984 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000073988510 287266841 /nfs/dbraw/zinc/26/68/41/287266841.db2.gz GBZNSRRQQKAQJE-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000073988510 287266843 /nfs/dbraw/zinc/26/68/43/287266843.db2.gz GBZNSRRQQKAQJE-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000074064824 287267392 /nfs/dbraw/zinc/26/73/92/287267392.db2.gz FREUGIZGOZEMPJ-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418332699 304481374 /nfs/dbraw/zinc/48/13/74/304481374.db2.gz FWBKJZZHYLYXQJ-HNNXBMFYSA-N 1 3 336.455 1.899 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000663580279 452305963 /nfs/dbraw/zinc/30/59/63/452305963.db2.gz OIIAGXJUKHBKCV-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000665760290 452332287 /nfs/dbraw/zinc/33/22/87/452332287.db2.gz FCYXZPJSHWHZCH-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000665760290 452332296 /nfs/dbraw/zinc/33/22/96/452332296.db2.gz FCYXZPJSHWHZCH-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663692769 452429900 /nfs/dbraw/zinc/42/99/00/452429900.db2.gz IKZDOFAHBCNNPD-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000045195508 272911371 /nfs/dbraw/zinc/91/13/71/272911371.db2.gz OMBXFJDUBFLTRG-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H](C)N[C@@H](C)C3)CC2)c1 ZINC000153931665 272927759 /nfs/dbraw/zinc/92/77/59/272927759.db2.gz DCJQIEJFOKKEEZ-HDICACEKSA-N 1 3 344.503 1.716 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000283920526 274011462 /nfs/dbraw/zinc/01/14/62/274011462.db2.gz FNMNPRQDFHYLSD-UHFFFAOYSA-N 1 3 348.491 1.165 20 0 EDADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N(C)C ZINC000121981573 276012382 /nfs/dbraw/zinc/01/23/82/276012382.db2.gz PNCWOJNRDVVYLV-YESZJQIVSA-N 1 3 325.497 1.457 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677918 277085768 /nfs/dbraw/zinc/08/57/68/277085768.db2.gz BMSUPGTWNFSVNV-NSHGMRRFSA-N 1 3 342.487 1.869 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000261693932 277109220 /nfs/dbraw/zinc/10/92/20/277109220.db2.gz FCCUYRIXBKPRHT-RTBURBONSA-N 1 3 344.503 1.425 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000332633393 277221559 /nfs/dbraw/zinc/22/15/59/277221559.db2.gz ZLRVIXVLOWUMFF-HZPDHXFCSA-N 1 3 343.537 1.796 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332633393 277221561 /nfs/dbraw/zinc/22/15/61/277221561.db2.gz ZLRVIXVLOWUMFF-HZPDHXFCSA-N 1 3 343.537 1.796 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332633393 277221563 /nfs/dbraw/zinc/22/15/63/277221563.db2.gz ZLRVIXVLOWUMFF-HZPDHXFCSA-N 1 3 343.537 1.796 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226713 /nfs/dbraw/zinc/22/67/13/277226713.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226714 /nfs/dbraw/zinc/22/67/14/277226714.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 1 3 340.512 1.374 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024468 277292957 /nfs/dbraw/zinc/29/29/57/277292957.db2.gz QKFIBGSTUVHILF-FUHWJXTLSA-N 1 3 347.507 1.272 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccccc1N(C)C ZINC000354165690 278343656 /nfs/dbraw/zinc/34/36/56/278343656.db2.gz XKNBZVKWCWHZNO-GOSISDBHSA-N 1 3 348.535 1.793 20 0 EDADHO O=C(c1cccc(CN2CCCC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262088516 280207178 /nfs/dbraw/zinc/20/71/78/280207178.db2.gz RLQBUHGIKZJGQG-LJQANCHMSA-N 1 3 342.487 1.402 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728978 282036607 /nfs/dbraw/zinc/03/66/07/282036607.db2.gz BNBQMMFAJMCLGL-QZTJIDSGSA-N 1 3 344.503 1.902 20 0 EDADHO CO[C@@H](C[NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000289491744 288712480 /nfs/dbraw/zinc/71/24/80/288712480.db2.gz ADFJHSDUWCKUPL-INIZCTEOSA-N 1 3 339.867 1.642 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290053106 288830013 /nfs/dbraw/zinc/83/00/13/288830013.db2.gz FFOQYCNXYBMFPY-MSOLQXFVSA-N 1 3 333.476 1.877 20 0 EDADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)C1CCCC1 ZINC000660058004 452970887 /nfs/dbraw/zinc/97/08/87/452970887.db2.gz TVPDMXWVHVLYIS-KRWDZBQOSA-N 1 3 325.497 1.581 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417015500 293290044 /nfs/dbraw/zinc/29/00/44/293290044.db2.gz MOXNZSSVVNXAIK-YQQAZPJKSA-N 1 3 326.485 1.175 20 0 EDADHO COc1cccc([C@H](CNC(=O)C[C@@H](C[NH3+])OC)N2CCCC2)c1 ZINC000262768472 295325267 /nfs/dbraw/zinc/32/52/67/295325267.db2.gz HWQCCRNCRJJHLP-IRXDYDNUSA-N 1 3 335.448 1.312 20 0 EDADHO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)NC1CCN(C2CC2)CC1 ZINC000450866650 295522056 /nfs/dbraw/zinc/52/20/56/295522056.db2.gz TYHJMNSPWCITBN-BHIYHBOVSA-N 1 3 347.503 1.667 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418699886 304529906 /nfs/dbraw/zinc/52/99/06/304529906.db2.gz BGSQOQUCWLGHOW-CQSZACIVSA-N 1 3 349.470 1.028 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419720794 304671007 /nfs/dbraw/zinc/67/10/07/304671007.db2.gz IVEOEEHRHVRNLM-LBPRGKRZSA-N 1 3 326.485 1.046 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159058109 302916147 /nfs/dbraw/zinc/91/61/47/302916147.db2.gz PLFCDXFZGDTXQV-UHFFFAOYSA-N 1 3 348.491 1.209 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297176771 303368831 /nfs/dbraw/zinc/36/88/31/303368831.db2.gz WZFSQXXJOHEYNF-MQVJKMGUSA-N 1 3 331.460 1.982 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297176771 303368832 /nfs/dbraw/zinc/36/88/32/303368832.db2.gz WZFSQXXJOHEYNF-MQVJKMGUSA-N 1 3 331.460 1.982 20 0 EDADHO FC(F)Oc1cc2c(cc1CNCCN1CC[NH2+]CC1)OCO2 ZINC000414858928 447331604 /nfs/dbraw/zinc/33/16/04/447331604.db2.gz AAWPDUYSEWLTTM-UHFFFAOYSA-N 1 3 329.347 1.012 20 0 EDADHO Cc1cc(S(=O)(=O)NCCN[C@@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000422996220 304882508 /nfs/dbraw/zinc/88/25/08/304882508.db2.gz LJKAWSOEWNOIGL-UONOGXRCSA-N 1 3 345.534 1.750 20 0 EDADHO Brc1cc2c(s1)CC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423207555 304889429 /nfs/dbraw/zinc/88/94/29/304889429.db2.gz RVULCHBWNMZUKI-LLVKDONJSA-N 1 3 330.295 1.993 20 0 EDADHO [NH3+]CCCn1cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)nn1 ZINC000423335776 304893079 /nfs/dbraw/zinc/89/30/79/304893079.db2.gz RZWGQORJKRURTN-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994551 305022068 /nfs/dbraw/zinc/02/20/68/305022068.db2.gz FWUZBQKEILNYOC-GPMSIDNRSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000428994551 305022069 /nfs/dbraw/zinc/02/20/69/305022069.db2.gz FWUZBQKEILNYOC-GPMSIDNRSA-N 1 3 348.535 1.392 20 0 EDADHO [NH3+]CCCOC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000430600020 305058000 /nfs/dbraw/zinc/05/80/00/305058000.db2.gz RKEXJJMCZGZCAU-UHFFFAOYSA-N 1 3 330.432 1.708 20 0 EDADHO CSc1ccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660434 305061725 /nfs/dbraw/zinc/06/17/25/305061725.db2.gz DHGKJRNKPZCUPM-CQSZACIVSA-N 1 3 337.489 1.574 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880203 305066880 /nfs/dbraw/zinc/06/68/80/305066880.db2.gz SEPNZNOZWFORBU-JKSUJKDBSA-N 1 3 344.459 1.465 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](N)c1ccccc1 ZINC000430894253 305067257 /nfs/dbraw/zinc/06/72/57/305067257.db2.gz LYNUEJUOOMYOOW-USXIJHARSA-N 1 3 346.475 1.026 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](N)c1ccccc1 ZINC000430894253 305067258 /nfs/dbraw/zinc/06/72/58/305067258.db2.gz LYNUEJUOOMYOOW-USXIJHARSA-N 1 3 346.475 1.026 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449349918 305312328 /nfs/dbraw/zinc/31/23/28/305312328.db2.gz SBUKNYUTTJFENI-GDBMZVCRSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)NCCOCCN(C)C)([NH+](C)C)C1 ZINC000471634385 305537490 /nfs/dbraw/zinc/53/74/90/305537490.db2.gz JTWZIYANQYGLSL-DOTOQJQBSA-N 1 3 328.501 1.374 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458420726 447357107 /nfs/dbraw/zinc/35/71/07/447357107.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458420726 447357113 /nfs/dbraw/zinc/35/71/13/447357113.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(C)(C)C ZINC000458422236 447358161 /nfs/dbraw/zinc/35/81/61/447358161.db2.gz UBVXYQIGVHLXTJ-HOTGVXAUSA-N 1 3 342.528 1.499 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000527521196 305848636 /nfs/dbraw/zinc/84/86/36/305848636.db2.gz DLPBLPQSPAUONU-UHFFFAOYSA-N 1 3 344.463 1.202 20 0 EDADHO CCc1cnccc1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000539208011 306034859 /nfs/dbraw/zinc/03/48/59/306034859.db2.gz BPSCPCDYRBUDCR-HNNXBMFYSA-N 1 3 335.496 1.840 20 0 EDADHO COC(=O)c1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000540318054 306039326 /nfs/dbraw/zinc/03/93/26/306039326.db2.gz FGIQAIZOICEBBE-UHFFFAOYSA-N 1 3 337.464 1.832 20 0 EDADHO CN1CC=C(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100779 306155813 /nfs/dbraw/zinc/15/58/13/306155813.db2.gz DPWAFTVIRAOSHS-QGZVFWFLSA-N 1 3 335.473 1.563 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cn2ccccc2n1 ZINC000551266754 306156884 /nfs/dbraw/zinc/15/68/84/306156884.db2.gz DQLBFVRINIPSRN-QGZVFWFLSA-N 1 3 345.491 1.375 20 0 EDADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](OCCN2CCCCC2)C1 ZINC000555621706 306204199 /nfs/dbraw/zinc/20/41/99/306204199.db2.gz FCVVLYQTKZFYMB-QGZVFWFLSA-N 1 3 325.497 1.822 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000557099816 306223918 /nfs/dbraw/zinc/22/39/18/306223918.db2.gz FGVPAUBQYDLKPN-MAUKXSAKSA-N 1 3 330.476 1.948 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000414949394 447371419 /nfs/dbraw/zinc/37/14/19/447371419.db2.gz ZHRGXNPLZQODQX-YOEHRIQHSA-N 1 3 346.475 1.580 20 0 EDADHO C[C@H](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)[NH+]1CCCCC1 ZINC000419716971 447370045 /nfs/dbraw/zinc/37/00/45/447370045.db2.gz SSHBSSGRPSARER-GDBMZVCRSA-N 1 3 338.496 1.001 20 0 EDADHO CCCN(C(=O)C(=O)Nc1ccccc1CCN(C)C)[C@H]1CC[NH2+]C1 ZINC000415394389 447414020 /nfs/dbraw/zinc/41/40/20/447414020.db2.gz QIELCJCJQDEJDR-INIZCTEOSA-N 1 3 346.475 1.330 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000098034472 441148003 /nfs/dbraw/zinc/14/80/03/441148003.db2.gz AVHJCNOZUBTURJ-YESZJQIVSA-N 1 3 342.528 1.620 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105193205 441241580 /nfs/dbraw/zinc/24/15/80/441241580.db2.gz ZHGANNDGEVROTD-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105193205 441241584 /nfs/dbraw/zinc/24/15/84/441241584.db2.gz ZHGANNDGEVROTD-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCCC[NH+](C)C)CC2)c1 ZINC000080976291 441215875 /nfs/dbraw/zinc/21/58/75/441215875.db2.gz ACGIWPSMJPFHLM-UHFFFAOYSA-N 1 3 332.492 1.575 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996883 441329980 /nfs/dbraw/zinc/32/99/80/441329980.db2.gz AKBYXGXNBFCXJJ-FUHWJXTLSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081996883 441329982 /nfs/dbraw/zinc/32/99/82/441329982.db2.gz AKBYXGXNBFCXJJ-FUHWJXTLSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000106458458 441345681 /nfs/dbraw/zinc/34/56/81/441345681.db2.gz AXIYYVALJPINKZ-LJQANCHMSA-N 1 3 346.519 1.636 20 0 EDADHO COC(=O)N1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000089144860 441527125 /nfs/dbraw/zinc/52/71/25/441527125.db2.gz FCMOPLRUVGYNJV-GJZGRUSLSA-N 1 3 327.469 1.696 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522414 441632797 /nfs/dbraw/zinc/63/27/97/441632797.db2.gz PIMPBSFOLRJTDS-SZMVWBNQSA-N 1 3 339.524 1.991 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740966 /nfs/dbraw/zinc/74/09/66/441740966.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 1 3 334.508 1.146 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740968 /nfs/dbraw/zinc/74/09/68/441740968.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 1 3 334.508 1.146 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000077800220 441862896 /nfs/dbraw/zinc/86/28/96/441862896.db2.gz BDAMKXHQRISORG-UHFFFAOYSA-N 1 3 331.464 1.803 20 0 EDADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@]1(F)CCNC1 ZINC000151109553 442007996 /nfs/dbraw/zinc/00/79/96/442007996.db2.gz VUUCPRBUOOGSCM-KRWDZBQOSA-N 1 3 335.379 1.236 20 0 EDADHO CN1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000125319098 442010092 /nfs/dbraw/zinc/01/00/92/442010092.db2.gz WREIPRRCXWKUSY-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079490967 442054267 /nfs/dbraw/zinc/05/42/67/442054267.db2.gz DJOFPKDAWGOWQU-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO Cn1cccc1CN[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000120401155 442063751 /nfs/dbraw/zinc/06/37/51/442063751.db2.gz FALSLBJBZFYMPC-SFHVURJKSA-N 1 3 328.460 1.404 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000175732964 442113663 /nfs/dbraw/zinc/11/36/63/442113663.db2.gz SWGJXVJCAPNLRD-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H]1OCC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081327 442174742 /nfs/dbraw/zinc/17/47/42/442174742.db2.gz OZBBZWBIDUWTOD-WBAXXEDZSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1OCC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081327 442174747 /nfs/dbraw/zinc/17/47/47/442174747.db2.gz OZBBZWBIDUWTOD-WBAXXEDZSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000165562442 442209956 /nfs/dbraw/zinc/20/99/56/442209956.db2.gz SYGULPDLFRZVMW-ADHGMGHFSA-N 1 3 337.508 1.913 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614566 442217783 /nfs/dbraw/zinc/21/77/83/442217783.db2.gz ZRWLVXQTBOLTDE-OWCLPIDISA-N 1 3 342.553 1.084 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614566 442217784 /nfs/dbraw/zinc/21/77/84/442217784.db2.gz ZRWLVXQTBOLTDE-OWCLPIDISA-N 1 3 342.553 1.084 20 0 EDADHO C[C@@H]1C[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651112 442280046 /nfs/dbraw/zinc/28/00/46/442280046.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 1 3 345.491 1.193 20 0 EDADHO C[C@@H]1C[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651112 442280049 /nfs/dbraw/zinc/28/00/49/442280049.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 1 3 345.491 1.193 20 0 EDADHO COC(=O)[C@]1(C)CCN(CC(C)C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177422929 442339465 /nfs/dbraw/zinc/33/94/65/442339465.db2.gz UPJYSWGLNNYGQF-QZTJIDSGSA-N 1 3 340.464 1.393 20 0 EDADHO COC(=O)[C@]1(C)CCN(CC(C)C[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177422929 442339467 /nfs/dbraw/zinc/33/94/67/442339467.db2.gz UPJYSWGLNNYGQF-QZTJIDSGSA-N 1 3 340.464 1.393 20 0 EDADHO CCNC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177481862 442348107 /nfs/dbraw/zinc/34/81/07/442348107.db2.gz ATVIFJZCPRFLCG-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CC(=O)NCCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177484899 442348151 /nfs/dbraw/zinc/34/81/51/442348151.db2.gz SFGUAKZAAQSUEM-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177536909 442354807 /nfs/dbraw/zinc/35/48/07/442354807.db2.gz SRKKNDFLAIHPBT-MRXNPFEDSA-N 1 3 332.448 1.239 20 0 EDADHO CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000130541306 442349271 /nfs/dbraw/zinc/34/92/71/442349271.db2.gz UYGDQDHMDFXLTE-HZPDHXFCSA-N 1 3 332.448 1.529 20 0 EDADHO CCCCn1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000133101417 442407098 /nfs/dbraw/zinc/40/70/98/442407098.db2.gz NWCBBQICTQUZKF-UHFFFAOYSA-N 1 3 338.500 1.949 20 0 EDADHO NC1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000178824058 442494961 /nfs/dbraw/zinc/49/49/61/442494961.db2.gz FSGOMQNSRGGAEM-MRXNPFEDSA-N 1 3 327.472 1.817 20 0 EDADHO CC[C@@]1(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CCC[NH2+]1 ZINC000134584432 442497862 /nfs/dbraw/zinc/49/78/62/442497862.db2.gz MNZXILWVSDAQJP-IBGZPJMESA-N 1 3 346.475 1.126 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000178856641 442504935 /nfs/dbraw/zinc/50/49/35/442504935.db2.gz FMYVEDVWGPGCII-SOLBZPMBSA-N 1 3 337.508 1.724 20 0 EDADHO COC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000187882104 442696355 /nfs/dbraw/zinc/69/63/55/442696355.db2.gz GYTUJLMUQAWLSF-BQFCYCMXSA-N 1 3 328.497 1.907 20 0 EDADHO C[C@@H](NCC1(C[NH2+][C@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438909 442766986 /nfs/dbraw/zinc/76/69/86/442766986.db2.gz WTMMQHPSYFMNQR-HZPDHXFCSA-N 1 3 340.508 1.812 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247305036 442846283 /nfs/dbraw/zinc/84/62/83/442846283.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247305036 442846286 /nfs/dbraw/zinc/84/62/86/442846286.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183220469 442906467 /nfs/dbraw/zinc/90/64/67/442906467.db2.gz LIKCWGCXFZUKAF-INIZCTEOSA-N 1 3 334.464 1.578 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000266094091 443015581 /nfs/dbraw/zinc/01/55/81/443015581.db2.gz FSRVGEUBXQBBOO-UHFFFAOYSA-N 1 3 344.503 1.753 20 0 EDADHO CC[N@H+]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000266094091 443015584 /nfs/dbraw/zinc/01/55/84/443015584.db2.gz FSRVGEUBXQBBOO-UHFFFAOYSA-N 1 3 344.503 1.753 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000184393194 443016785 /nfs/dbraw/zinc/01/67/85/443016785.db2.gz MPJBSJQKUZGYPG-INIZCTEOSA-N 1 3 332.492 1.504 20 0 EDADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268974703 443163494 /nfs/dbraw/zinc/16/34/94/443163494.db2.gz IYIVZDKMJMLVBE-GFCCVEGCSA-N 1 3 344.452 1.337 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237501834 443174112 /nfs/dbraw/zinc/17/41/12/443174112.db2.gz IUWMAICFVLLLRF-NUJGCVRESA-N 1 3 333.476 1.735 20 0 EDADHO Cc1c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678300 443207171 /nfs/dbraw/zinc/20/71/71/443207171.db2.gz UONYNODBCNMLCW-KBPBESRZSA-N 1 3 348.495 1.361 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269261899 443256166 /nfs/dbraw/zinc/25/61/66/443256166.db2.gz MVLBKLIPMXQMPM-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269261899 443256168 /nfs/dbraw/zinc/25/61/68/443256168.db2.gz MVLBKLIPMXQMPM-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO C[NH+](C)CC1(C(=O)N[C@H](CO)CN2CCCCC2)CCCCC1 ZINC000413821793 319292109 /nfs/dbraw/zinc/29/21/09/319292109.db2.gz SKUKRXLZLAFQIZ-INIZCTEOSA-N 1 3 325.497 1.462 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064055 319314938 /nfs/dbraw/zinc/31/49/38/319314938.db2.gz FHQORNRUNKEDBX-STQMWFEESA-N 1 3 342.281 1.931 20 0 EDADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414320391 319324547 /nfs/dbraw/zinc/32/45/47/319324547.db2.gz BVISYTQQRYJSIV-HUUCEWRRSA-N 1 3 333.476 1.897 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000414671876 319339468 /nfs/dbraw/zinc/33/94/68/319339468.db2.gz GWUBIFZDIQJVIY-DOTOQJQBSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000414671876 319339470 /nfs/dbraw/zinc/33/94/70/319339470.db2.gz GWUBIFZDIQJVIY-DOTOQJQBSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OC3CCCCC3)CC2)C1 ZINC000414690768 319343222 /nfs/dbraw/zinc/34/32/22/319343222.db2.gz IJBKSKSZVRMHRI-INIZCTEOSA-N 1 3 337.508 1.997 20 0 EDADHO Cc1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415199835 319350194 /nfs/dbraw/zinc/35/01/94/319350194.db2.gz DNLWZGVYMRQFGW-AWEZNQCLSA-N 1 3 336.436 1.127 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)c1 ZINC000415213783 319351848 /nfs/dbraw/zinc/35/18/48/319351848.db2.gz FOAJLBSMEDGCLH-YOEHRIQHSA-N 1 3 344.459 1.430 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000415296927 319360234 /nfs/dbraw/zinc/36/02/34/319360234.db2.gz DFQHKFVHAUUOSN-UHFFFAOYSA-N 1 3 346.475 1.664 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269272750 443261041 /nfs/dbraw/zinc/26/10/41/443261041.db2.gz UGAZPPZFOFUNDD-HNNXBMFYSA-N 1 3 349.450 1.785 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000269279563 443264528 /nfs/dbraw/zinc/26/45/28/443264528.db2.gz ZJSQHOCIZLIKBT-SJORKVTESA-N 1 3 333.476 1.803 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417368540 319494507 /nfs/dbraw/zinc/49/45/07/319494507.db2.gz RDPJMYKPUZNBLS-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417366462 319494583 /nfs/dbraw/zinc/49/45/83/319494583.db2.gz ORQUWTBRRRVOKP-MRXNPFEDSA-N 1 3 348.491 1.816 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650323 443396119 /nfs/dbraw/zinc/39/61/19/443396119.db2.gz FFZZGFPHRQZSBH-CJNGLKHVSA-N 1 3 332.448 1.235 20 0 EDADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950942 319740832 /nfs/dbraw/zinc/74/08/32/319740832.db2.gz XFGTXSFBCLAKAI-JGGQBBKZSA-N 1 3 325.478 1.715 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2c3c(nn2C)CCCC3)CC[NH2+]CC1 ZINC000423140601 319752887 /nfs/dbraw/zinc/75/28/87/319752887.db2.gz MUDVDWDDHDKQIW-CQSZACIVSA-N 1 3 348.491 1.710 20 0 EDADHO NC(=O)C1CCN(C[C@H](NCCC[NH3+])c2ccc(Cl)cc2)CC1 ZINC000423187074 319755558 /nfs/dbraw/zinc/75/55/58/319755558.db2.gz KULZWRWOVXDPPM-INIZCTEOSA-N 1 3 338.883 1.517 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000265353149 443614244 /nfs/dbraw/zinc/61/42/44/443614244.db2.gz KPHSHUBEGBSYQA-SFHVURJKSA-N 1 3 331.460 1.685 20 0 EDADHO C[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC[NH2+]C1 ZINC000435099219 320010344 /nfs/dbraw/zinc/01/03/44/320010344.db2.gz RWBPZVDFHGDWJY-LJQANCHMSA-N 1 3 331.460 1.972 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)N1CCCCC1 ZINC000444358752 320127608 /nfs/dbraw/zinc/12/76/08/320127608.db2.gz ARNLTMAQJUMUIG-WMZOPIPTSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)N1CCCCC1 ZINC000444358752 320127610 /nfs/dbraw/zinc/12/76/10/320127610.db2.gz ARNLTMAQJUMUIG-WMZOPIPTSA-N 1 3 339.524 1.801 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000449715876 320201824 /nfs/dbraw/zinc/20/18/24/320201824.db2.gz BXCDAFPMYJEUHT-MSOLQXFVSA-N 1 3 344.503 1.751 20 0 EDADHO C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000454618911 320291729 /nfs/dbraw/zinc/29/17/29/320291729.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)CN1CCN(C)CC1 ZINC000454618911 320291730 /nfs/dbraw/zinc/29/17/30/320291730.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCCCC1 ZINC000457441825 320326006 /nfs/dbraw/zinc/32/60/06/320326006.db2.gz UMZXQRUJKXSHMG-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCCCC1 ZINC000457448285 320326374 /nfs/dbraw/zinc/32/63/74/320326374.db2.gz ZFTPGBWZWHDTTH-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO CSCC[C@@H](N)C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000516649381 320439780 /nfs/dbraw/zinc/43/97/80/320439780.db2.gz KIYBYFJWMBHRGO-QWHCGFSZSA-N 1 3 342.534 1.470 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000517473892 320449852 /nfs/dbraw/zinc/44/98/52/320449852.db2.gz FMKSMWZWXGMXRI-SFHVURJKSA-N 1 3 345.487 1.790 20 0 EDADHO C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)s1)N(C)C ZINC000298608277 443815896 /nfs/dbraw/zinc/81/58/96/443815896.db2.gz IZDMNHUUJSYRPI-RYUDHWBXSA-N 1 3 340.493 1.108 20 0 EDADHO C[C@@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357596 320656729 /nfs/dbraw/zinc/65/67/29/320656729.db2.gz GWPKLZHMEIISEA-CQSZACIVSA-N 1 3 325.428 1.545 20 0 EDADHO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCOC1 ZINC000537488674 320735141 /nfs/dbraw/zinc/73/51/41/320735141.db2.gz YLCAKNOIUPENPJ-QRVBRYPASA-N 1 3 347.503 1.680 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000561280104 321038927 /nfs/dbraw/zinc/03/89/27/321038927.db2.gz FDFMVTYZXFVOKC-INIZCTEOSA-N 1 3 346.410 1.542 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000561280104 321038928 /nfs/dbraw/zinc/03/89/28/321038928.db2.gz FDFMVTYZXFVOKC-INIZCTEOSA-N 1 3 346.410 1.542 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000563692162 321112573 /nfs/dbraw/zinc/11/25/73/321112573.db2.gz LCQPGPJYWBITLU-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000568231761 321283530 /nfs/dbraw/zinc/28/35/30/321283530.db2.gz JNQOWQKVBCDAQX-FZCLSBEQSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@H](CC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568389340 321289092 /nfs/dbraw/zinc/28/90/92/321289092.db2.gz DSPPMVGODGFKPH-BRWVUGGUSA-N 1 3 325.497 1.221 20 0 EDADHO OCC[C@@H]1CCCN1Cc1cncc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000568473948 321292780 /nfs/dbraw/zinc/29/27/80/321292780.db2.gz FJBNRXCTPZIXQC-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO OCC[C@@H]1CCCN1Cc1cncc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000568473948 321292781 /nfs/dbraw/zinc/29/27/81/321292781.db2.gz FJBNRXCTPZIXQC-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569319000 321323925 /nfs/dbraw/zinc/32/39/25/321323925.db2.gz OOUZIPKXJZDKDK-IAGOWNOFSA-N 1 3 331.460 1.585 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569319000 321323926 /nfs/dbraw/zinc/32/39/26/321323926.db2.gz OOUZIPKXJZDKDK-IAGOWNOFSA-N 1 3 331.460 1.585 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1C1CC1 ZINC000570815185 321359743 /nfs/dbraw/zinc/35/97/43/321359743.db2.gz FJQCNFFMUZCVFR-LFVTVUPYSA-N 1 3 328.460 1.666 20 0 EDADHO COc1ccc(C[C@@H](C)NC[C@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927204 444155526 /nfs/dbraw/zinc/15/55/26/444155526.db2.gz FCANUUOIDCBYEH-PBHICJAKSA-N 1 3 336.476 1.990 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000289681333 444189948 /nfs/dbraw/zinc/18/99/48/444189948.db2.gz DQJXCVWUJQGWLL-INIZCTEOSA-N 1 3 333.432 1.544 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851131 444292754 /nfs/dbraw/zinc/29/27/54/444292754.db2.gz OLABSKSGTLRVBE-ICSRJNTNSA-N 1 3 345.487 1.641 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000578331567 321758403 /nfs/dbraw/zinc/75/84/03/321758403.db2.gz CBXOHFRJMDLQGU-CRAIPNDOSA-N 1 3 345.491 1.948 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000337811693 444418736 /nfs/dbraw/zinc/41/87/36/444418736.db2.gz OIZPSVWUTNJLHN-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000337811693 444418739 /nfs/dbraw/zinc/41/87/39/444418739.db2.gz OIZPSVWUTNJLHN-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO COc1cc2c(cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@@H](C)C2 ZINC000326992444 444379482 /nfs/dbraw/zinc/37/94/82/444379482.db2.gz BHILWMGNQZVGNQ-KBPBESRZSA-N 1 3 347.459 1.306 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000340471646 444391353 /nfs/dbraw/zinc/39/13/53/444391353.db2.gz FASRHXYQQYKNOO-DLBZAZTESA-N 1 3 345.553 1.350 20 0 EDADHO CC[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580171432 322017471 /nfs/dbraw/zinc/01/74/71/322017471.db2.gz JSWFVEXQZDRHSX-MSOLQXFVSA-N 1 3 330.476 1.875 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580572452 322070280 /nfs/dbraw/zinc/07/02/80/322070280.db2.gz XCSPYTKHWKYNMS-KRWDZBQOSA-N 1 3 347.507 1.981 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@H]21 ZINC000580908332 322111549 /nfs/dbraw/zinc/11/15/49/322111549.db2.gz IOONCURCKOEPJN-IXDOHACOSA-N 1 3 334.485 1.979 20 0 EDADHO C[C@H]1CN(CCC(=O)N2CCCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706728 444533625 /nfs/dbraw/zinc/53/36/25/444533625.db2.gz HIQVZOPEUKIXRM-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO C[C@H]1CN(CCC(=O)N2CCCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000343706728 444533629 /nfs/dbraw/zinc/53/36/29/444533629.db2.gz HIQVZOPEUKIXRM-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000333222363 444648864 /nfs/dbraw/zinc/64/88/64/444648864.db2.gz WIMRUTJYBDSHCF-INIZCTEOSA-N 1 3 348.495 2.146 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000333222363 444648868 /nfs/dbraw/zinc/64/88/68/444648868.db2.gz WIMRUTJYBDSHCF-INIZCTEOSA-N 1 3 348.495 2.146 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000341096226 444672537 /nfs/dbraw/zinc/67/25/37/444672537.db2.gz AJOZTLOXHOWAJY-QGZVFWFLSA-N 1 3 348.491 1.287 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333945138 444724826 /nfs/dbraw/zinc/72/48/26/444724826.db2.gz SNLJUFOOOYRTGV-HNNXBMFYSA-N 1 3 340.537 1.789 20 0 EDADHO CC1CCC(NC(=O)CN(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344034405 444741078 /nfs/dbraw/zinc/74/10/78/444741078.db2.gz RGQHTKVDIHAMCZ-UHFFFAOYSA-N 1 3 326.529 1.497 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341427903 444824095 /nfs/dbraw/zinc/82/40/95/444824095.db2.gz HTEUYKBZENVLJM-KRWDZBQOSA-N 1 3 337.533 1.947 20 0 EDADHO CN(c1ccccc1CN[C@H]1CCC(=O)NC1)C1CC[NH+](C)CC1 ZINC000344263652 444870562 /nfs/dbraw/zinc/87/05/62/444870562.db2.gz QNLLSZLEFSZAMF-INIZCTEOSA-N 1 3 330.476 1.585 20 0 EDADHO CC(C)COC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338939489 444945221 /nfs/dbraw/zinc/94/52/21/444945221.db2.gz CNUIWWIEOGVOES-JENIJYKNSA-N 1 3 342.524 1.841 20 0 EDADHO CC(C)N1CCN(CCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000337249406 445002314 /nfs/dbraw/zinc/00/23/14/445002314.db2.gz LVLGLRNUGINAPG-LJQANCHMSA-N 1 3 339.524 1.672 20 0 EDADHO C[C@@H](CC(N)=O)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000341899886 445061188 /nfs/dbraw/zinc/06/11/88/445061188.db2.gz ODNCLGFFDGSIKC-KRWDZBQOSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCCN1C ZINC000345735021 445197487 /nfs/dbraw/zinc/19/74/87/445197487.db2.gz CYUWFZCGILCUQB-ZBFHGGJFSA-N 1 3 326.485 1.221 20 0 EDADHO CCN1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000347710962 445245775 /nfs/dbraw/zinc/24/57/75/445245775.db2.gz YBUWAEFLZBVZEO-LNLFQRSKSA-N 1 3 346.519 1.820 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348684331 445347607 /nfs/dbraw/zinc/34/76/07/445347607.db2.gz PCGRTQDPWHAFBN-WDSOQIARSA-N 1 3 335.492 1.884 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348684331 445347610 /nfs/dbraw/zinc/34/76/10/445347610.db2.gz PCGRTQDPWHAFBN-WDSOQIARSA-N 1 3 335.492 1.884 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ccccc12 ZINC000348831742 445407190 /nfs/dbraw/zinc/40/71/90/445407190.db2.gz IRBNFYCEXWCGOJ-MRXNPFEDSA-N 1 3 343.475 1.822 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cnn2ccccc12 ZINC000348831742 445407195 /nfs/dbraw/zinc/40/71/95/445407195.db2.gz IRBNFYCEXWCGOJ-MRXNPFEDSA-N 1 3 343.475 1.822 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000355101828 445444353 /nfs/dbraw/zinc/44/43/53/445444353.db2.gz ISINOOHHAZTCJR-HZPDHXFCSA-N 1 3 339.528 1.137 20 0 EDADHO [NH3+]Cc1cc(NC(=O)CNC[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000362585098 445451615 /nfs/dbraw/zinc/45/16/15/445451615.db2.gz BUNBUEYZGMLFKR-CYBMUJFWSA-N 1 3 331.338 1.871 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802709 445556344 /nfs/dbraw/zinc/55/63/44/445556344.db2.gz VEMCCYRFPPTKFZ-ZBFHGGJFSA-N 1 3 331.464 1.554 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000360138173 445590353 /nfs/dbraw/zinc/59/03/53/445590353.db2.gz ZRNXKISWUYMMGD-MRXNPFEDSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000360138173 445590354 /nfs/dbraw/zinc/59/03/54/445590354.db2.gz ZRNXKISWUYMMGD-MRXNPFEDSA-N 1 3 340.512 1.469 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941530 445538230 /nfs/dbraw/zinc/53/82/30/445538230.db2.gz LLDANAFRWFMKJB-KRWDZBQOSA-N 1 3 342.528 1.857 20 0 EDADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358513118 445626030 /nfs/dbraw/zinc/62/60/30/445626030.db2.gz VYFNCRYOMFWOHD-HNNXBMFYSA-N 1 3 331.460 1.948 20 0 EDADHO COC(=O)[C@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353505781 445633955 /nfs/dbraw/zinc/63/39/55/445633955.db2.gz YUCLMAIYZNONMU-IIDMSEBBSA-N 1 3 342.480 1.122 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000349663589 445639873 /nfs/dbraw/zinc/63/98/73/445639873.db2.gz DUDIUOCEPCPTBB-KRWDZBQOSA-N 1 3 342.553 1.941 20 0 EDADHO CC[C@@H]1C[C@H](C[NH2+]CC(=O)NCCN2CCCCCC2)CCO1 ZINC000353670275 445700818 /nfs/dbraw/zinc/70/08/18/445700818.db2.gz KVCLMQLXEMEPDK-IAGOWNOFSA-N 1 3 325.497 1.773 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353686518 445707431 /nfs/dbraw/zinc/70/74/31/445707431.db2.gz RBNFRINUZJOKAI-HNNXBMFYSA-N 1 3 349.479 1.652 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353686518 445707435 /nfs/dbraw/zinc/70/74/35/445707435.db2.gz RBNFRINUZJOKAI-HNNXBMFYSA-N 1 3 349.479 1.652 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000356290089 445720669 /nfs/dbraw/zinc/72/06/69/445720669.db2.gz XJJFNNIJHKAHOH-LJQANCHMSA-N 1 3 349.519 1.966 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000356290089 445720674 /nfs/dbraw/zinc/72/06/74/445720674.db2.gz XJJFNNIJHKAHOH-LJQANCHMSA-N 1 3 349.519 1.966 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358699365 445724755 /nfs/dbraw/zinc/72/47/55/445724755.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 1 3 348.491 1.393 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358699365 445724760 /nfs/dbraw/zinc/72/47/60/445724760.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 1 3 348.491 1.393 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000349934200 445725881 /nfs/dbraw/zinc/72/58/81/445725881.db2.gz MTFZQLJPPLCXTE-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250394 445757107 /nfs/dbraw/zinc/75/71/07/445757107.db2.gz JBNVDWWJKYZORV-GXTWGEPZSA-N 1 3 331.420 1.737 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250394 445757113 /nfs/dbraw/zinc/75/71/13/445757113.db2.gz JBNVDWWJKYZORV-GXTWGEPZSA-N 1 3 331.420 1.737 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000361494397 445787667 /nfs/dbraw/zinc/78/76/67/445787667.db2.gz HCPGFZNSBAVSBA-BZSNNMDCSA-N 1 3 338.540 1.782 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000390642568 325732370 /nfs/dbraw/zinc/73/23/70/325732370.db2.gz LZVJINOQEVHHCU-UHFFFAOYSA-N 1 3 331.460 1.536 20 0 EDADHO CCC[C@H](C(=O)N(CCC)CCN1CCN(CC)CC1)[NH+](C)C ZINC000356580373 445870570 /nfs/dbraw/zinc/87/05/70/445870570.db2.gz PFTDQMDFFACMAR-QGZVFWFLSA-N 1 3 326.529 1.593 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364007526 445889849 /nfs/dbraw/zinc/88/98/49/445889849.db2.gz XFEOYFQMOFDBNK-INIZCTEOSA-N 1 3 342.528 1.451 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C)C(C)C ZINC000361832839 445989455 /nfs/dbraw/zinc/98/94/55/445989455.db2.gz KLDDKMVJKGDMKV-UHFFFAOYSA-N 1 3 348.491 1.842 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C)C(C)C ZINC000361832839 445989462 /nfs/dbraw/zinc/98/94/62/445989462.db2.gz KLDDKMVJKGDMKV-UHFFFAOYSA-N 1 3 348.491 1.842 20 0 EDADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)C1CC[NH+](C)CC1 ZINC000364694008 445946780 /nfs/dbraw/zinc/94/67/80/445946780.db2.gz FXTSTSIILSULPM-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)N1CCCCCC1 ZINC000359212725 446041709 /nfs/dbraw/zinc/04/17/09/446041709.db2.gz FDGMPFJDNAZJHN-UHFFFAOYSA-N 1 3 336.524 1.396 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000365148057 446053885 /nfs/dbraw/zinc/05/38/85/446053885.db2.gz ZONLBECCGLKVNE-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000583490021 326082629 /nfs/dbraw/zinc/08/26/29/326082629.db2.gz SCYBBYVYIREJQY-OAHLLOKOSA-N 1 3 340.512 1.117 20 0 EDADHO Cn1cc(C(=O)NC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)cn1 ZINC000366181526 446066953 /nfs/dbraw/zinc/06/69/53/446066953.db2.gz GMAJPDJNPHXDAC-KRWDZBQOSA-N 1 3 333.480 1.489 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266794 446112847 /nfs/dbraw/zinc/11/28/47/446112847.db2.gz LSXYNBYNEXFVFN-YYIAUSFCSA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266794 446112855 /nfs/dbraw/zinc/11/28/55/446112855.db2.gz LSXYNBYNEXFVFN-YYIAUSFCSA-N 1 3 336.476 1.951 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365553426 446252363 /nfs/dbraw/zinc/25/23/63/446252363.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 1 3 338.496 1.269 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365553426 446252365 /nfs/dbraw/zinc/25/23/65/446252365.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 1 3 338.496 1.269 20 0 EDADHO [NH3+][C@H](CNC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417369914 446349794 /nfs/dbraw/zinc/34/97/94/446349794.db2.gz RYVCPMBZXLLKBZ-CZUORRHYSA-N 1 3 336.505 1.997 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCOCC2 ZINC000374230675 446358276 /nfs/dbraw/zinc/35/82/76/446358276.db2.gz OUJHGRUUXQYIIB-IAGOWNOFSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000417527075 446361598 /nfs/dbraw/zinc/36/15/98/446361598.db2.gz NWTCYACXDMFRKC-RDJZCZTQSA-N 1 3 348.491 1.609 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417535186 446362981 /nfs/dbraw/zinc/36/29/81/446362981.db2.gz BMPNZSWYLNCYMF-HUUCEWRRSA-N 1 3 340.512 1.693 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417548750 446363623 /nfs/dbraw/zinc/36/36/23/446363623.db2.gz RQEZCDVBZZAINO-HOCLYGCPSA-N 1 3 340.512 1.787 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417547651 446364247 /nfs/dbraw/zinc/36/42/47/446364247.db2.gz OWVGACUMZMEPQD-INIZCTEOSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633890 446365411 /nfs/dbraw/zinc/36/54/11/446365411.db2.gz JFPGGONDVUIIJS-AIANPOQGSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633890 446365415 /nfs/dbraw/zinc/36/54/15/446365415.db2.gz JFPGGONDVUIIJS-AIANPOQGSA-N 1 3 330.476 1.683 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCC2([NH3+])CCCCC2)ccn1 ZINC000417952231 446397458 /nfs/dbraw/zinc/39/74/58/446397458.db2.gz OCEYYTDCQQMQCJ-UHFFFAOYSA-N 1 3 349.479 1.483 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417952152 446397509 /nfs/dbraw/zinc/39/75/09/446397509.db2.gz XULBEUUHNWUFHZ-XMTFNYHQSA-N 1 3 328.460 1.968 20 0 EDADHO COCCNCCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996239 446410207 /nfs/dbraw/zinc/41/02/07/446410207.db2.gz QVUZEUIFABUGLT-HUUCEWRRSA-N 1 3 326.485 1.175 20 0 EDADHO COCCNCCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417996239 446410210 /nfs/dbraw/zinc/41/02/10/446410210.db2.gz QVUZEUIFABUGLT-HUUCEWRRSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418017698 446417492 /nfs/dbraw/zinc/41/74/92/446417492.db2.gz SWSLQXGMGCKQRV-ATLSCFEFSA-N 1 3 330.476 1.886 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420317190 446481837 /nfs/dbraw/zinc/48/18/37/446481837.db2.gz MPGFPCCJEQPVHL-ROUUACIJSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420317190 446481841 /nfs/dbraw/zinc/48/18/41/446481841.db2.gz MPGFPCCJEQPVHL-ROUUACIJSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420317190 446481847 /nfs/dbraw/zinc/48/18/47/446481847.db2.gz MPGFPCCJEQPVHL-ROUUACIJSA-N 1 3 333.476 1.534 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420317377 446483486 /nfs/dbraw/zinc/48/34/86/446483486.db2.gz MWXPUWVUQKVWPP-JKSUJKDBSA-N 1 3 348.466 1.770 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326153 446493517 /nfs/dbraw/zinc/49/35/17/446493517.db2.gz XDSLKYPHWOBLKQ-MSOLQXFVSA-N 1 3 336.524 1.395 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@@H]21 ZINC000418330042 446502668 /nfs/dbraw/zinc/50/26/68/446502668.db2.gz PGXAXLCDJMZHOR-ROUUACIJSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@@H]21 ZINC000418330042 446502671 /nfs/dbraw/zinc/50/26/71/446502671.db2.gz PGXAXLCDJMZHOR-ROUUACIJSA-N 1 3 345.491 1.687 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418322709 446496856 /nfs/dbraw/zinc/49/68/56/446496856.db2.gz DAELCAPYSKVBTC-IYBDPMFKSA-N 1 3 340.512 1.517 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418323602 446497240 /nfs/dbraw/zinc/49/72/40/446497240.db2.gz FUUDCEJPQIUZAU-UHFFFAOYSA-N 1 3 345.491 1.737 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418317322 446497870 /nfs/dbraw/zinc/49/78/70/446497870.db2.gz MEVIDDKIQMCKLE-UHFFFAOYSA-N 1 3 347.507 1.055 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418325291 446498578 /nfs/dbraw/zinc/49/85/78/446498578.db2.gz IQEJZJTZVMGJDM-MSOLQXFVSA-N 1 3 345.491 1.830 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358509 446537663 /nfs/dbraw/zinc/53/76/63/446537663.db2.gz JGWMPKZFGDQIGO-CVEARBPZSA-N 1 3 341.459 1.989 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358509 446537672 /nfs/dbraw/zinc/53/76/72/446537672.db2.gz JGWMPKZFGDQIGO-CVEARBPZSA-N 1 3 341.459 1.989 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358509 446537681 /nfs/dbraw/zinc/53/76/81/446537681.db2.gz JGWMPKZFGDQIGO-CVEARBPZSA-N 1 3 341.459 1.989 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)c3ccccc3OCC[NH+](C)C)C[C@H]21 ZINC000375048956 446541858 /nfs/dbraw/zinc/54/18/58/446541858.db2.gz KVXCEASNQWDBMO-DOTOQJQBSA-N 1 3 331.460 1.793 20 0 EDADHO CCN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418521287 446579817 /nfs/dbraw/zinc/57/98/17/446579817.db2.gz IGUYYTPPXCYPRG-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418570019 446597583 /nfs/dbraw/zinc/59/75/83/446597583.db2.gz ONLGAPBMCWDICJ-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000418587860 446603258 /nfs/dbraw/zinc/60/32/58/446603258.db2.gz RITOQPNCEXPJQN-ZHALLVOQSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418702716 446655423 /nfs/dbraw/zinc/65/54/23/446655423.db2.gz HHRNIYCAXZNDAC-KLHDSHLOSA-N 1 3 340.512 1.643 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418733300 446659298 /nfs/dbraw/zinc/65/92/98/446659298.db2.gz RKSBCBFNMALKID-CYBMUJFWSA-N 1 3 328.407 1.775 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000423730344 446664404 /nfs/dbraw/zinc/66/44/04/446664404.db2.gz PNXLDQDYYVTSCT-XUWVNRHRSA-N 1 3 325.522 1.945 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000423730344 446664407 /nfs/dbraw/zinc/66/44/07/446664407.db2.gz PNXLDQDYYVTSCT-XUWVNRHRSA-N 1 3 325.522 1.945 20 0 EDADHO CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418745107 446666086 /nfs/dbraw/zinc/66/60/86/446666086.db2.gz VFWHKBMCTKRXID-HUUCEWRRSA-N 1 3 340.418 1.885 20 0 EDADHO COCC1(CNC(=O)NCCN2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000418641688 446628499 /nfs/dbraw/zinc/62/84/99/446628499.db2.gz QIKKMWPCFOKKML-UHFFFAOYSA-N 1 3 340.512 1.424 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368241868 446733129 /nfs/dbraw/zinc/73/31/29/446733129.db2.gz HVRWTOKGWNTGMK-SFHVURJKSA-N 1 3 343.487 1.504 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368241868 446733136 /nfs/dbraw/zinc/73/31/36/446733136.db2.gz HVRWTOKGWNTGMK-SFHVURJKSA-N 1 3 343.487 1.504 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424457963 446876352 /nfs/dbraw/zinc/87/63/52/446876352.db2.gz SCBBOYXNGPHSTA-CQSZACIVSA-N 1 3 332.448 1.240 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424457963 446876360 /nfs/dbraw/zinc/87/63/60/446876360.db2.gz SCBBOYXNGPHSTA-CQSZACIVSA-N 1 3 332.448 1.240 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509083 446908775 /nfs/dbraw/zinc/90/87/75/446908775.db2.gz XLFIHCHEBMQLCD-RTBURBONSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509083 446908783 /nfs/dbraw/zinc/90/87/83/446908783.db2.gz XLFIHCHEBMQLCD-RTBURBONSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509080 446909230 /nfs/dbraw/zinc/90/92/30/446909230.db2.gz XLFIHCHEBMQLCD-MOPGFXCFSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509080 446909239 /nfs/dbraw/zinc/90/92/39/446909239.db2.gz XLFIHCHEBMQLCD-MOPGFXCFSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)CC1 ZINC000375597838 446914918 /nfs/dbraw/zinc/91/49/18/446914918.db2.gz LOSHUZMWYPDXDC-SQNIBIBYSA-N 1 3 336.524 1.521 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)CC1 ZINC000375597838 446914926 /nfs/dbraw/zinc/91/49/26/446914926.db2.gz LOSHUZMWYPDXDC-SQNIBIBYSA-N 1 3 336.524 1.521 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766981 446958896 /nfs/dbraw/zinc/95/88/96/446958896.db2.gz XSXAVEIQARQXOT-CVEARBPZSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766981 446958898 /nfs/dbraw/zinc/95/88/98/446958898.db2.gz XSXAVEIQARQXOT-CVEARBPZSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766981 446958902 /nfs/dbraw/zinc/95/89/02/446958902.db2.gz XSXAVEIQARQXOT-CVEARBPZSA-N 1 3 348.466 1.534 20 0 EDADHO CS[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1N(C)C ZINC000368601982 446972995 /nfs/dbraw/zinc/97/29/95/446972995.db2.gz HXDBAPDCDYNJEH-YITSKGGISA-N 1 3 325.522 1.644 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419157245 446973383 /nfs/dbraw/zinc/97/33/83/446973383.db2.gz WEMOINVPUCYBPW-YOEHRIQHSA-N 1 3 348.491 1.382 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419173229 446989229 /nfs/dbraw/zinc/98/92/29/446989229.db2.gz SIPIRENAKMTJLX-NVXWUHKLSA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000419173229 446989236 /nfs/dbraw/zinc/98/92/36/446989236.db2.gz SIPIRENAKMTJLX-NVXWUHKLSA-N 1 3 346.475 1.039 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058319 447000484 /nfs/dbraw/zinc/00/04/84/447000484.db2.gz KAAJFMYFPNRTCW-MRXNPFEDSA-N 1 3 348.466 1.535 20 0 EDADHO CN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123718 /nfs/dbraw/zinc/12/37/18/447123718.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123724 /nfs/dbraw/zinc/12/37/24/447123724.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123729 /nfs/dbraw/zinc/12/37/29/447123729.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 1 3 343.519 1.796 20 0 EDADHO c1c(CNCCCNCc2cccnc2)onc1C1CC[NH2+]CC1 ZINC000425390710 447138350 /nfs/dbraw/zinc/13/83/50/447138350.db2.gz WYKOSRIGHUWETN-UHFFFAOYSA-N 1 3 329.448 1.806 20 0 EDADHO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157063 /nfs/dbraw/zinc/15/70/63/447157063.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 1 3 345.491 1.858 20 0 EDADHO CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157068 /nfs/dbraw/zinc/15/70/68/447157068.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 1 3 345.491 1.858 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589047 447284765 /nfs/dbraw/zinc/28/47/65/447284765.db2.gz OTZJAYQGAKUKOK-HOTGVXAUSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H](NCCOCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000447592507 447280376 /nfs/dbraw/zinc/28/03/76/447280376.db2.gz LZBVARGHFPHWDO-CQSZACIVSA-N 1 3 343.493 1.166 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000458782239 447477408 /nfs/dbraw/zinc/47/74/08/447477408.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000458782239 447477412 /nfs/dbraw/zinc/47/74/12/447477412.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419929542 447496515 /nfs/dbraw/zinc/49/65/15/447496515.db2.gz MPZLXESQHMCGAW-QGZVFWFLSA-N 1 3 346.475 1.137 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390899744 447504985 /nfs/dbraw/zinc/50/49/85/447504985.db2.gz MXTSMMXCOBHBCM-KZNAEPCWSA-N 1 3 331.460 1.521 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCC1 ZINC000390920099 447507219 /nfs/dbraw/zinc/50/72/19/447507219.db2.gz HIMYZGQGTZCFBP-SFHVURJKSA-N 1 3 345.487 1.913 20 0 EDADHO CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000393083963 447529465 /nfs/dbraw/zinc/52/94/65/447529465.db2.gz IIIZBCHHSYRCIX-MOPGFXCFSA-N 1 3 346.519 1.855 20 0 EDADHO Cc1cc(C)n(CCN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000395760570 447541261 /nfs/dbraw/zinc/54/12/61/447541261.db2.gz KWGWOZMLGCDPOP-IAGOWNOFSA-N 1 3 333.480 1.080 20 0 EDADHO C[C@@H](CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[NH+](C)C ZINC000459038858 447549207 /nfs/dbraw/zinc/54/92/07/447549207.db2.gz ISLHZPAAHKHEGF-DOTOQJQBSA-N 1 3 333.480 1.495 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066136 447560442 /nfs/dbraw/zinc/56/04/42/447560442.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 1 3 334.508 1.983 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066136 447560453 /nfs/dbraw/zinc/56/04/53/447560453.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 1 3 334.508 1.983 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[NH+](CC)CC)CC1 ZINC000457385392 447570319 /nfs/dbraw/zinc/57/03/19/447570319.db2.gz HGQOGHRXNKAVES-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@H]2CCCN2CCCO)CC(C)(C)[NH2+]1 ZINC000457397780 447571835 /nfs/dbraw/zinc/57/18/35/447571835.db2.gz WIAZALTWYZKTTR-OAHLLOKOSA-N 1 3 340.512 1.442 20 0 EDADHO CC(C)N1C[C@H](C)[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124168 447617397 /nfs/dbraw/zinc/61/73/97/447617397.db2.gz LWYNXBMZDRZBBA-GRDNDAEWSA-N 1 3 346.475 1.167 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416852782 447697023 /nfs/dbraw/zinc/69/70/23/447697023.db2.gz NAJOLCIICVKJND-WBVHZDCISA-N 1 3 334.464 1.869 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC(CC[NH2+]C)CC2)n1 ZINC000420228598 447679189 /nfs/dbraw/zinc/67/91/89/447679189.db2.gz RNDDKYHOXSAGNX-UHFFFAOYSA-N 1 3 335.500 1.762 20 0 EDADHO O=C(CCN[C@@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422843988 447766198 /nfs/dbraw/zinc/76/61/98/447766198.db2.gz KMQYIHALTUMMOT-QGZVFWFLSA-N 1 3 330.476 1.457 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000422738994 447733660 /nfs/dbraw/zinc/73/36/60/447733660.db2.gz KPWVZSJPZLFBKR-GUDVDZBRSA-N 1 3 344.503 1.657 20 0 EDADHO O=C1O[C@@]2(CN1CN1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186512 447737428 /nfs/dbraw/zinc/73/74/28/447737428.db2.gz CUOXMJYIMAXJES-SZVBFZGTSA-N 1 3 349.475 1.752 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950216 447778956 /nfs/dbraw/zinc/77/89/56/447778956.db2.gz XLWNTANWSZUECU-GJZGRUSLSA-N 1 3 339.505 1.803 20 0 EDADHO OC[C@H](CNC1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423078225 447799746 /nfs/dbraw/zinc/79/97/46/447799746.db2.gz VQVMYVASBJIQAM-ZDUSSCGKSA-N 1 3 327.266 1.942 20 0 EDADHO OC[C@H](C[NH2+]C1CCNCC1)Cc1cccc(Br)c1 ZINC000423078225 447799751 /nfs/dbraw/zinc/79/97/51/447799751.db2.gz VQVMYVASBJIQAM-ZDUSSCGKSA-N 1 3 327.266 1.942 20 0 EDADHO C[C@@H](CCCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423111389 447807023 /nfs/dbraw/zinc/80/70/23/447807023.db2.gz WLSXAFLBHRQRHG-NSHDSACASA-N 1 3 335.420 1.350 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000496705007 447852629 /nfs/dbraw/zinc/85/26/29/447852629.db2.gz ZPSQBQAPIZLULF-SFHVURJKSA-N 1 3 343.512 1.974 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000496705007 447852630 /nfs/dbraw/zinc/85/26/30/447852630.db2.gz ZPSQBQAPIZLULF-SFHVURJKSA-N 1 3 343.512 1.974 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000569843153 447904798 /nfs/dbraw/zinc/90/47/98/447904798.db2.gz MOMPFBTXWZZAPM-AEFFLSMTSA-N 1 3 330.476 1.800 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000530814263 447962254 /nfs/dbraw/zinc/96/22/54/447962254.db2.gz PPOZRYZBHIUJFV-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000530814263 447962259 /nfs/dbraw/zinc/96/22/59/447962259.db2.gz PPOZRYZBHIUJFV-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573870 447917102 /nfs/dbraw/zinc/91/71/02/447917102.db2.gz XVHNBGJVRUSTBL-XLIONFOSSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530573870 447917107 /nfs/dbraw/zinc/91/71/07/447917107.db2.gz XVHNBGJVRUSTBL-XLIONFOSSA-N 1 3 345.487 1.472 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530587719 447921864 /nfs/dbraw/zinc/92/18/64/447921864.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 1 3 345.487 1.424 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530587719 447921870 /nfs/dbraw/zinc/92/18/70/447921870.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 1 3 345.487 1.424 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CNC1(CCO)CC[NH+](C)CC1 ZINC000570290988 447979139 /nfs/dbraw/zinc/97/91/39/447979139.db2.gz BTKUVGBTHPLHNF-UHFFFAOYSA-N 1 3 329.448 1.512 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C1(CCO)CCN(C)CC1 ZINC000570290988 447979141 /nfs/dbraw/zinc/97/91/41/447979141.db2.gz BTKUVGBTHPLHNF-UHFFFAOYSA-N 1 3 329.448 1.512 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525603233 448005332 /nfs/dbraw/zinc/00/53/32/448005332.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 1 3 348.491 1.378 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000525603233 448005335 /nfs/dbraw/zinc/00/53/35/448005335.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 1 3 348.491 1.378 20 0 EDADHO CN(C[C@@H](O)CNCC1(C[NH+](C)C)CCCC1)C(=O)OC(C)(C)C ZINC000496946179 448061314 /nfs/dbraw/zinc/06/13/14/448061314.db2.gz QZOQZQPVQLHSIE-HNNXBMFYSA-N 1 3 343.512 1.926 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C1 ZINC000500786492 448089046 /nfs/dbraw/zinc/08/90/46/448089046.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C1 ZINC000500786492 448089049 /nfs/dbraw/zinc/08/90/49/448089049.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000571303871 448133750 /nfs/dbraw/zinc/13/37/50/448133750.db2.gz BZBSJBNOLRANRQ-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702126 448193375 /nfs/dbraw/zinc/19/33/75/448193375.db2.gz DCHZZLQMYSTNKH-ZWKOTPCHSA-N 1 3 330.476 1.697 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000571757320 448200597 /nfs/dbraw/zinc/20/05/97/448200597.db2.gz BRIWCJWIALLBNR-CQSZACIVSA-N 1 3 330.432 1.204 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(N)CCC3)cc2)C1 ZINC000571757320 448200600 /nfs/dbraw/zinc/20/06/00/448200600.db2.gz BRIWCJWIALLBNR-CQSZACIVSA-N 1 3 330.432 1.204 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1oc(=O)n2C ZINC000527132545 448167516 /nfs/dbraw/zinc/16/75/16/448167516.db2.gz QPDZTSNQDNQOMI-UHFFFAOYSA-N 1 3 349.435 1.089 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3C[C@@H](OC)C3)CC2)CC1 ZINC000571895437 448230710 /nfs/dbraw/zinc/23/07/10/448230710.db2.gz ORLPSOLMTNXUAP-HDICACEKSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(CN(C)C)CCCC2)C[C@@H](C)O1 ZINC000577172975 448224813 /nfs/dbraw/zinc/22/48/13/448224813.db2.gz OQVYLAUUYSVPFB-BRWVUGGUSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172975 448224820 /nfs/dbraw/zinc/22/48/20/448224820.db2.gz OQVYLAUUYSVPFB-BRWVUGGUSA-N 1 3 327.513 1.168 20 0 EDADHO CN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC([NH3+])C1 ZINC000582655735 448302252 /nfs/dbraw/zinc/30/22/52/448302252.db2.gz XWJYJXQLOULOPY-UHFFFAOYSA-N 1 3 348.413 1.923 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577471470 448305131 /nfs/dbraw/zinc/30/51/31/448305131.db2.gz BQJYHCFWUFIKAE-OAHLLOKOSA-N 1 3 345.491 1.480 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCN(C)CC1 ZINC000591358434 448340781 /nfs/dbraw/zinc/34/07/81/448340781.db2.gz JPACQCAXBGIHFF-ZIAGYGMSSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000591399739 448352115 /nfs/dbraw/zinc/35/21/15/448352115.db2.gz CELXBMGHTQNDIM-UHFFFAOYSA-N 1 3 326.872 1.975 20 0 EDADHO Cn1cc(-c2nc(CNCCCN3CCC[N@H+](C)CC3)cs2)cn1 ZINC000527653545 448330990 /nfs/dbraw/zinc/33/09/90/448330990.db2.gz MAWOFVCEXZMSNU-UHFFFAOYSA-N 1 3 348.520 1.661 20 0 EDADHO Cn1cc(-c2nc(CNCCCN3CCC[N@@H+](C)CC3)cs2)cn1 ZINC000527653545 448330995 /nfs/dbraw/zinc/33/09/95/448330995.db2.gz MAWOFVCEXZMSNU-UHFFFAOYSA-N 1 3 348.520 1.661 20 0 EDADHO CCCN1CCC([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527953572 448396763 /nfs/dbraw/zinc/39/67/63/448396763.db2.gz XCIHTTXSKGZATB-GOSISDBHSA-N 1 3 325.497 1.066 20 0 EDADHO CC(C)N1CCC([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527952910 448397240 /nfs/dbraw/zinc/39/72/40/448397240.db2.gz WACTUXFIWFQUFD-GOSISDBHSA-N 1 3 325.497 1.065 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508069 /nfs/dbraw/zinc/50/80/69/448508069.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508073 /nfs/dbraw/zinc/50/80/73/448508073.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 1 3 344.459 1.274 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000578730491 448619708 /nfs/dbraw/zinc/61/97/08/448619708.db2.gz GKXJVLMILCABGT-HZPDHXFCSA-N 1 3 339.528 1.090 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566923757 448587280 /nfs/dbraw/zinc/58/72/80/448587280.db2.gz JZRJYPQICQTJAD-GDBMZVCRSA-N 1 3 325.522 1.757 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(OC)CC3)CC2)CC1 ZINC000518394428 448674383 /nfs/dbraw/zinc/67/43/83/448674383.db2.gz SQKQYNROFKUNRW-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3n[nH]c(C)n3)CC2)CC1 ZINC000567177902 448631553 /nfs/dbraw/zinc/63/15/53/448631553.db2.gz QTDYYRMRDWKBCK-ZDUSSCGKSA-N 1 3 348.495 1.487 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786132 448711236 /nfs/dbraw/zinc/71/12/36/448711236.db2.gz AMRQRWLCJUVBSA-WMLDXEAASA-N 1 3 326.485 1.175 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000579406613 448784688 /nfs/dbraw/zinc/78/46/88/448784688.db2.gz LEFQOSYLGMVWGQ-UHFFFAOYSA-N 1 3 339.528 1.045 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493993 448861805 /nfs/dbraw/zinc/86/18/05/448861805.db2.gz YKQDSGXRERELLI-JYJNAYRXSA-N 1 3 338.496 1.568 20 0 EDADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880155 448935484 /nfs/dbraw/zinc/93/54/84/448935484.db2.gz NOQRAOBZOOUIPI-PKOBYXMFSA-N 1 3 348.487 1.609 20 0 EDADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880155 448935485 /nfs/dbraw/zinc/93/54/85/448935485.db2.gz NOQRAOBZOOUIPI-PKOBYXMFSA-N 1 3 348.487 1.609 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861575 448972124 /nfs/dbraw/zinc/97/21/24/448972124.db2.gz LMCJOWFSOIGTJV-BPQIPLTHSA-N 1 3 330.476 1.887 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643757 449005643 /nfs/dbraw/zinc/00/56/43/449005643.db2.gz NNFMCPWCPSJTTC-ZWKOTPCHSA-N 1 3 336.524 1.570 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720402 449089906 /nfs/dbraw/zinc/08/99/06/449089906.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720402 449089912 /nfs/dbraw/zinc/08/99/12/449089912.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CCN(C)CC1 ZINC000599923682 449110134 /nfs/dbraw/zinc/11/01/34/449110134.db2.gz LQVLMUNQZTXSLC-ZDUSSCGKSA-N 1 3 326.510 1.398 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900830 449241989 /nfs/dbraw/zinc/24/19/89/449241989.db2.gz MVIFYSJWOUPKIM-GDBMZVCRSA-N 1 3 338.496 1.568 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606659094 449500485 /nfs/dbraw/zinc/50/04/85/449500485.db2.gz MVDULXPEOGWONZ-AWEZNQCLSA-N 1 3 326.485 1.127 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)CC[NH2+]CC1 ZINC000600707876 449507549 /nfs/dbraw/zinc/50/75/49/449507549.db2.gz BWEOOJHQYVILPO-CJNGLKHVSA-N 1 3 345.443 1.461 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000617505263 449653220 /nfs/dbraw/zinc/65/32/20/449653220.db2.gz ZMQAQOFDSNJHEL-AWEZNQCLSA-N 1 3 347.463 1.130 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000617505263 449653223 /nfs/dbraw/zinc/65/32/23/449653223.db2.gz ZMQAQOFDSNJHEL-AWEZNQCLSA-N 1 3 347.463 1.130 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000617505450 449653944 /nfs/dbraw/zinc/65/39/44/449653944.db2.gz CTYNOYKXTGXWRB-GUYCJALGSA-N 1 3 337.439 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000617505450 449653948 /nfs/dbraw/zinc/65/39/48/449653948.db2.gz CTYNOYKXTGXWRB-GUYCJALGSA-N 1 3 337.439 1.517 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@@H+]1C ZINC000607690484 449636136 /nfs/dbraw/zinc/63/61/36/449636136.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[N@H+]1C ZINC000607690484 449636144 /nfs/dbraw/zinc/63/61/44/449636144.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 1 3 330.476 1.893 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000594942608 449815042 /nfs/dbraw/zinc/81/50/42/449815042.db2.gz KEMMAIZUJVQHRL-VIBAHUMZSA-N 1 3 332.444 1.540 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000594975322 449826451 /nfs/dbraw/zinc/82/64/51/449826451.db2.gz QUWLTHCHWABBIX-BVPBIZIASA-N 1 3 332.444 1.540 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)CCN1CCc2ccccc2C1 ZINC000617765280 449827397 /nfs/dbraw/zinc/82/73/97/449827397.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 1 3 346.519 1.435 20 0 EDADHO CN(CCCN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2)Cc1ccco1 ZINC000612988202 449972424 /nfs/dbraw/zinc/97/24/24/449972424.db2.gz PDWXEFVRZMSBEA-MRXNPFEDSA-N 1 3 334.464 1.885 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000615262480 450025241 /nfs/dbraw/zinc/02/52/41/450025241.db2.gz GHDIKWHINPCBOO-UHOSZYNNSA-N 1 3 349.519 1.963 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262480 450025246 /nfs/dbraw/zinc/02/52/46/450025246.db2.gz GHDIKWHINPCBOO-UHOSZYNNSA-N 1 3 349.519 1.963 20 0 EDADHO CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000620770528 450540939 /nfs/dbraw/zinc/54/09/39/450540939.db2.gz CCVPAWHFPKSUPO-IBGZPJMESA-N 1 3 344.503 1.405 20 0 EDADHO O[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000623621545 450553477 /nfs/dbraw/zinc/55/34/77/450553477.db2.gz KGVYJRCPRACZSL-RBUKOAKNSA-N 1 3 334.460 1.791 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650549 450559645 /nfs/dbraw/zinc/55/96/45/450559645.db2.gz MCCSQUVLDZTYQS-KBPBESRZSA-N 1 3 329.452 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650549 450559647 /nfs/dbraw/zinc/55/96/47/450559647.db2.gz MCCSQUVLDZTYQS-KBPBESRZSA-N 1 3 329.452 1.165 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2[nH]c1=O ZINC000635131549 450676157 /nfs/dbraw/zinc/67/61/57/450676157.db2.gz ZKNPXSXZVKAGLK-UHFFFAOYSA-N 1 3 345.447 1.128 20 0 EDADHO Cc1cncc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553510 450732429 /nfs/dbraw/zinc/73/24/29/450732429.db2.gz WLCFUMVZIQVURK-QGZVFWFLSA-N 1 3 340.475 1.902 20 0 EDADHO O=C(c1ccccc1)N1CCC(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629564440 450738877 /nfs/dbraw/zinc/73/88/77/450738877.db2.gz KJMBEXSVMOJCHF-LJQANCHMSA-N 1 3 345.487 1.585 20 0 EDADHO [NH3+]C[C@@H]1CN(Cc2nc3c(s2)CNCC3)CC[C@H]1C(F)(F)F ZINC000629653983 450772342 /nfs/dbraw/zinc/77/23/42/450772342.db2.gz KZFAQMJCHOZQSU-NXEZZACHSA-N 1 3 334.411 1.748 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)CN1CCCC1 ZINC000629575434 450744511 /nfs/dbraw/zinc/74/45/11/450744511.db2.gz NLTJZOBBVLASDL-RBUKOAKNSA-N 1 3 349.544 1.650 20 0 EDADHO CC(C)C[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000621508109 450749596 /nfs/dbraw/zinc/74/95/96/450749596.db2.gz CBCHVALVDKCGSX-RTBURBONSA-N 1 3 346.519 1.855 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000629650189 450770869 /nfs/dbraw/zinc/77/08/69/450770869.db2.gz QJQWQXPBWJDZAW-HNNXBMFYSA-N 1 3 349.450 1.866 20 0 EDADHO C[NH+](C)CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000635277684 450807093 /nfs/dbraw/zinc/80/70/93/450807093.db2.gz IRPGYFYKEUKZAZ-UHFFFAOYSA-N 1 3 325.522 1.806 20 0 EDADHO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)CCCN1CCCC1 ZINC000631933307 450891453 /nfs/dbraw/zinc/89/14/53/450891453.db2.gz CBWMWVRDARDGPZ-UHFFFAOYSA-N 1 3 339.505 1.653 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000626855842 450962747 /nfs/dbraw/zinc/96/27/47/450962747.db2.gz HAYIRKUNHQYTEC-HNNXBMFYSA-N 1 3 346.475 1.664 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000626855842 450962750 /nfs/dbraw/zinc/96/27/50/450962750.db2.gz HAYIRKUNHQYTEC-HNNXBMFYSA-N 1 3 346.475 1.664 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012686 450967536 /nfs/dbraw/zinc/96/75/36/450967536.db2.gz WDKYYMWWAIHIBN-YJBOKZPZSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012686 450967538 /nfs/dbraw/zinc/96/75/38/450967538.db2.gz WDKYYMWWAIHIBN-YJBOKZPZSA-N 1 3 345.491 1.534 20 0 EDADHO C[C@](O)(C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043806 450976830 /nfs/dbraw/zinc/97/68/30/450976830.db2.gz YFLQDJMCNRDHCD-MJGOQNOKSA-N 1 3 340.508 1.475 20 0 EDADHO CCN(CC[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000626935483 451017536 /nfs/dbraw/zinc/01/75/36/451017536.db2.gz JJRQABJFGZRLJM-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939764 451021476 /nfs/dbraw/zinc/02/14/76/451021476.db2.gz NFZKFNXBQQJBNZ-HUUCEWRRSA-N 1 3 340.537 1.788 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626947118 451025704 /nfs/dbraw/zinc/02/57/04/451025704.db2.gz LPFQWAWZKTUOOU-DOTOQJQBSA-N 1 3 334.464 1.487 20 0 EDADHO CCN(CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000626964903 451038376 /nfs/dbraw/zinc/03/83/76/451038376.db2.gz LLAYAVIIDMLDFD-DGCLKSJQSA-N 1 3 336.402 1.639 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCOCC[NH3+])N(C)C ZINC000627033389 451091897 /nfs/dbraw/zinc/09/18/97/451091897.db2.gz IILOZUMHJSVZJY-NVXWUHKLSA-N 1 3 336.480 1.603 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000627174116 451164300 /nfs/dbraw/zinc/16/43/00/451164300.db2.gz FEEAARQLBOYAIR-UHFFFAOYSA-N 1 3 348.491 1.528 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638083569 451247416 /nfs/dbraw/zinc/24/74/16/451247416.db2.gz AHUFEUVJYVXWHC-MSOLQXFVSA-N 1 3 331.460 1.795 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086244 451251507 /nfs/dbraw/zinc/25/15/07/451251507.db2.gz QOKSMKKKFYFSDM-PKOBYXMFSA-N 1 3 346.519 1.682 20 0 EDADHO O=C(CN1CCNCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000638088607 451252986 /nfs/dbraw/zinc/25/29/86/451252986.db2.gz IVMJEXPGQFPMEJ-UHFFFAOYSA-N 1 3 344.503 1.584 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111115 451277731 /nfs/dbraw/zinc/27/77/31/451277731.db2.gz BZTCDHGPOUWRAE-WMZOPIPTSA-N 1 3 335.448 1.723 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000635830130 451279573 /nfs/dbraw/zinc/27/95/73/451279573.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000635830130 451279576 /nfs/dbraw/zinc/27/95/76/451279576.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000638116011 451284296 /nfs/dbraw/zinc/28/42/96/451284296.db2.gz BZUIZGHBKKMVTL-JENIJYKNSA-N 1 3 331.460 1.534 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290248 /nfs/dbraw/zinc/29/02/48/451290248.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 1 3 346.519 1.777 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290253 /nfs/dbraw/zinc/29/02/53/451290253.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 1 3 346.519 1.777 20 0 EDADHO COCCNCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638154430 451326173 /nfs/dbraw/zinc/32/61/73/451326173.db2.gz OTZCARDJUFNIPA-RBUKOAKNSA-N 1 3 345.487 1.497 20 0 EDADHO COCCNCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638154430 451326178 /nfs/dbraw/zinc/32/61/78/451326178.db2.gz OTZCARDJUFNIPA-RBUKOAKNSA-N 1 3 345.487 1.497 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261859 451385543 /nfs/dbraw/zinc/38/55/43/451385543.db2.gz IDQBRHABFZXMQQ-FHWLQOOXSA-N 1 3 344.503 1.294 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288424 451404897 /nfs/dbraw/zinc/40/48/97/451404897.db2.gz PZQKKDQLSMKHQB-CTWPCTMYSA-N 1 3 344.503 1.579 20 0 EDADHO O[C@]1(CNCCOCC(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634640509 451432381 /nfs/dbraw/zinc/43/23/81/451432381.db2.gz AUTCVGXDHVQWGD-HNNXBMFYSA-N 1 3 332.366 1.792 20 0 EDADHO O[C@]1(CNCCOCC(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634640509 451432383 /nfs/dbraw/zinc/43/23/83/451432383.db2.gz AUTCVGXDHVQWGD-HNNXBMFYSA-N 1 3 332.366 1.792 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000638403605 451492967 /nfs/dbraw/zinc/49/29/67/451492967.db2.gz CSUFWBKRLTVDSK-QGZVFWFLSA-N 1 3 325.497 1.757 20 0 EDADHO c1ccc(C(CN2C[C@@H]3COC[C@@H]3C2)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634778918 451541648 /nfs/dbraw/zinc/54/16/48/451541648.db2.gz UHLZWUSNMQPFBH-FXELSEDVSA-N 1 3 342.483 1.927 20 0 EDADHO c1ccc(C(CN2C[C@@H]3COC[C@@H]3C2)C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634778918 451541651 /nfs/dbraw/zinc/54/16/51/451541651.db2.gz UHLZWUSNMQPFBH-FXELSEDVSA-N 1 3 342.483 1.927 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506703 451551699 /nfs/dbraw/zinc/55/16/99/451551699.db2.gz XWJYZELZPHSCGW-SFHVURJKSA-N 1 3 342.487 1.600 20 0 EDADHO NC[C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638778824 451687765 /nfs/dbraw/zinc/68/77/65/451687765.db2.gz GVNPLBIFIHXUPK-QZTJIDSGSA-N 1 3 331.460 1.346 20 0 EDADHO CN(C)CCn1cc(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000638881515 451718094 /nfs/dbraw/zinc/71/80/94/451718094.db2.gz WAYKHMDXMFEHKP-KRWDZBQOSA-N 1 3 329.448 1.135 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850064 451710068 /nfs/dbraw/zinc/71/00/68/451710068.db2.gz BOGGVOMMHWJBPF-QZTJIDSGSA-N 1 3 333.476 1.911 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC(CC[NH3+])CC3)cn2)CC1 ZINC000632960075 451669260 /nfs/dbraw/zinc/66/92/60/451669260.db2.gz BKAADXOYWCQQQB-UHFFFAOYSA-N 1 3 334.468 1.743 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)Cn2cc(CNC3CCCC3)nn2)CC1 ZINC000641046784 451741301 /nfs/dbraw/zinc/74/13/01/451741301.db2.gz FKZXUYOFIKBWGH-UHFFFAOYSA-N 1 3 348.495 1.299 20 0 EDADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000641092592 451747884 /nfs/dbraw/zinc/74/78/84/451747884.db2.gz YRBJVHWMYFTUKI-MJGOQNOKSA-N 1 3 346.475 1.065 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641215184 451784390 /nfs/dbraw/zinc/78/43/90/451784390.db2.gz OSUOFQIMRZQFDW-DOTOQJQBSA-N 1 3 331.464 1.817 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([C@@H](N)C(C)(C)C)nn1 ZINC000641215184 451784392 /nfs/dbraw/zinc/78/43/92/451784392.db2.gz OSUOFQIMRZQFDW-DOTOQJQBSA-N 1 3 331.464 1.817 20 0 EDADHO O[C@@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230791 451791889 /nfs/dbraw/zinc/79/18/89/451791889.db2.gz UITJSOMPKWTZHB-MJGOQNOKSA-N 1 3 341.459 1.067 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000641255304 451795291 /nfs/dbraw/zinc/79/52/91/451795291.db2.gz BLVMDJLOZXKQLO-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO Cc1ccc(CC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000639260861 451800256 /nfs/dbraw/zinc/80/02/56/451800256.db2.gz IAZCHSAXJKYADX-UHFFFAOYSA-N 1 3 331.504 1.924 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(CO)CCc3ccccc32)CC1 ZINC000639291209 451811513 /nfs/dbraw/zinc/81/15/13/451811513.db2.gz WWHBSSAUBDFTIT-FQEVSTJZSA-N 1 3 332.488 1.688 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000646847550 451885730 /nfs/dbraw/zinc/88/57/30/451885730.db2.gz ABCGEVMALPJZEC-YJBOKZPZSA-N 1 3 331.460 1.473 20 0 EDADHO CN1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281579 451954254 /nfs/dbraw/zinc/95/42/54/451954254.db2.gz UKEBNSRESMOIIR-LJQANCHMSA-N 1 3 330.476 1.322 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734456 451960755 /nfs/dbraw/zinc/96/07/55/451960755.db2.gz PYVYYJIFONXPAH-BZSNNMDCSA-N 1 3 330.476 1.041 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734456 451960761 /nfs/dbraw/zinc/96/07/61/451960761.db2.gz PYVYYJIFONXPAH-BZSNNMDCSA-N 1 3 330.476 1.041 20 0 EDADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000649286004 451961260 /nfs/dbraw/zinc/96/12/60/451961260.db2.gz IVJOLGXXAPSKSI-HNNXBMFYSA-N 1 3 329.435 1.956 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2NCC2(C)C)c1 ZINC000649289933 451965926 /nfs/dbraw/zinc/96/59/26/451965926.db2.gz GBGWHXXETIJFGQ-MRXNPFEDSA-N 1 3 346.475 1.695 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649293984 451969104 /nfs/dbraw/zinc/96/91/04/451969104.db2.gz VUQCSNDINGHPBT-MRXNPFEDSA-N 1 3 337.414 1.796 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649299262 451976409 /nfs/dbraw/zinc/97/64/09/451976409.db2.gz CPRUYFGWJBKKFI-LBPRGKRZSA-N 1 3 327.375 1.940 20 0 EDADHO COc1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)ccc1OCCN(C)C ZINC000649302054 451978538 /nfs/dbraw/zinc/97/85/38/451978538.db2.gz PPFZGZLLKAIPGF-OAHLLOKOSA-N 1 3 337.464 1.625 20 0 EDADHO Cc1c(CN2CCSCC2)cccc1NC(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649312944 451991600 /nfs/dbraw/zinc/99/16/00/451991600.db2.gz NJPYCLGQKZZISC-SFHVURJKSA-N 1 3 348.516 1.515 20 0 EDADHO Cc1c(CN2CCSCC2)cccc1NC(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649312944 451991606 /nfs/dbraw/zinc/99/16/06/451991606.db2.gz NJPYCLGQKZZISC-SFHVURJKSA-N 1 3 348.516 1.515 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)cn2)CC1 ZINC000637662579 452004696 /nfs/dbraw/zinc/00/46/96/452004696.db2.gz HBSKLCOSNZVBOM-GOSISDBHSA-N 1 3 346.479 1.709 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)cn2)CC1 ZINC000637662579 452004699 /nfs/dbraw/zinc/00/46/99/452004699.db2.gz HBSKLCOSNZVBOM-GOSISDBHSA-N 1 3 346.479 1.709 20 0 EDADHO Cc1ncc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000637666262 452007493 /nfs/dbraw/zinc/00/74/93/452007493.db2.gz QFQSELXHFFAJGE-LBPRGKRZSA-N 1 3 327.498 1.647 20 0 EDADHO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000649332272 452013345 /nfs/dbraw/zinc/01/33/45/452013345.db2.gz LQNMJXCXJHYKGI-QGZVFWFLSA-N 1 3 346.475 1.824 20 0 EDADHO CC1CCC(N2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000649334474 452015005 /nfs/dbraw/zinc/01/50/05/452015005.db2.gz KJTJEIIPPOJNLM-YMAMQOFZSA-N 1 3 329.435 1.954 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351062 452035818 /nfs/dbraw/zinc/03/58/18/452035818.db2.gz HZNPGDXRDDNFAR-QUCCMNQESA-N 1 3 342.487 1.063 20 0 EDADHO CC1(C)CN[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094188 452056190 /nfs/dbraw/zinc/05/61/90/452056190.db2.gz XQMLHRSDVGEELG-KRWDZBQOSA-N 1 3 345.491 1.581 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CCC[NH3+] ZINC000649410213 452074256 /nfs/dbraw/zinc/07/42/56/452074256.db2.gz ZWAQLUBNGTWLTP-INIZCTEOSA-N 1 3 332.492 1.436 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000645172726 452192768 /nfs/dbraw/zinc/19/27/68/452192768.db2.gz NEZNHMXMUGVOMW-HOTGVXAUSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000645172726 452192770 /nfs/dbraw/zinc/19/27/70/452192770.db2.gz NEZNHMXMUGVOMW-HOTGVXAUSA-N 1 3 336.480 1.119 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654013270 452203243 /nfs/dbraw/zinc/20/32/43/452203243.db2.gz YRHBLBFENLCOHE-JKSUJKDBSA-N 1 3 334.468 1.583 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000645204466 452208605 /nfs/dbraw/zinc/20/86/05/452208605.db2.gz CZZVKSWEJKJXKF-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCOC3(CCN(C)CC3)C2)C1 ZINC000645204466 452208612 /nfs/dbraw/zinc/20/86/12/452208612.db2.gz CZZVKSWEJKJXKF-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639876337 452213891 /nfs/dbraw/zinc/21/38/91/452213891.db2.gz DIWWAXAXYDHJFQ-IRXDYDNUSA-N 1 3 325.497 1.017 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639876337 452213894 /nfs/dbraw/zinc/21/38/94/452213894.db2.gz DIWWAXAXYDHJFQ-IRXDYDNUSA-N 1 3 325.497 1.017 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000647493014 452236409 /nfs/dbraw/zinc/23/64/09/452236409.db2.gz OVKMXLFRKRPQNG-UHFFFAOYSA-N 1 3 331.382 1.965 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000663560244 452273942 /nfs/dbraw/zinc/27/39/42/452273942.db2.gz JZRIJFAAGIXYLY-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000663580279 452305955 /nfs/dbraw/zinc/30/59/55/452305955.db2.gz OIIAGXJUKHBKCV-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000665745618 452315511 /nfs/dbraw/zinc/31/55/11/452315511.db2.gz KCNHRIIOWACNFX-ZJIFWQFVSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000665745618 452315521 /nfs/dbraw/zinc/31/55/21/452315521.db2.gz KCNHRIIOWACNFX-ZJIFWQFVSA-N 1 3 340.512 1.068 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C\C[NH3+] ZINC000641865083 452331146 /nfs/dbraw/zinc/33/11/46/452331146.db2.gz OYEZRTQZKOSOAE-CWIOURORSA-N 1 3 331.464 1.592 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000665760644 452333133 /nfs/dbraw/zinc/33/31/33/452333133.db2.gz MEUWBMQOSOYENG-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC(C)(C)[C@@H]1C ZINC000665760644 452333141 /nfs/dbraw/zinc/33/31/41/452333141.db2.gz MEUWBMQOSOYENG-GJZGRUSLSA-N 1 3 328.501 1.467 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484189 452344502 /nfs/dbraw/zinc/34/45/02/452344502.db2.gz PJJHBFXAWSNTLS-IPCDKGFNSA-N 1 3 342.487 1.948 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000665763108 452344668 /nfs/dbraw/zinc/34/46/68/452344668.db2.gz ZAHGGQFNWDBKEK-FUHWJXTLSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000665763108 452344678 /nfs/dbraw/zinc/34/46/78/452344678.db2.gz ZAHGGQFNWDBKEK-FUHWJXTLSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000665763586 452345236 /nfs/dbraw/zinc/34/52/36/452345236.db2.gz GIOLBPWLTHLUGY-MAUKXSAKSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000665763586 452345242 /nfs/dbraw/zinc/34/52/42/452345242.db2.gz GIOLBPWLTHLUGY-MAUKXSAKSA-N 1 3 340.512 1.469 20 0 EDADHO COC1(C[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCOCC1 ZINC000657594879 452363422 /nfs/dbraw/zinc/36/34/22/452363422.db2.gz FBHHWLQGXDKTOZ-SFHVURJKSA-N 1 3 334.460 1.538 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638064693 452364159 /nfs/dbraw/zinc/36/41/59/452364159.db2.gz VSQXFHLXANZSOF-FHLIZLRMSA-N 1 3 331.460 1.793 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638064693 452364168 /nfs/dbraw/zinc/36/41/68/452364168.db2.gz VSQXFHLXANZSOF-FHLIZLRMSA-N 1 3 331.460 1.793 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCCN1 ZINC000638068139 452369679 /nfs/dbraw/zinc/36/96/79/452369679.db2.gz VKCLNEYEZLXTTH-WMZOPIPTSA-N 1 3 325.497 1.916 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CCCCN1 ZINC000638068139 452369687 /nfs/dbraw/zinc/36/96/87/452369687.db2.gz VKCLNEYEZLXTTH-WMZOPIPTSA-N 1 3 325.497 1.916 20 0 EDADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC1CCN([C@H]2CCOC2)CC1 ZINC000659533919 452394764 /nfs/dbraw/zinc/39/47/64/452394764.db2.gz YBEUEEQXISPIMD-SFHVURJKSA-N 1 3 344.459 1.342 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659540366 452399678 /nfs/dbraw/zinc/39/96/78/452399678.db2.gz RRXIKUCGYZATIL-ZTFGCOKTSA-N 1 3 346.475 1.050 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NCc2ccc3c(c2)CNC3)c(F)c1 ZINC000652216492 452410309 /nfs/dbraw/zinc/41/03/09/452410309.db2.gz XCUGZURNFVLIDC-UHFFFAOYSA-N 1 3 328.391 1.887 20 0 EDADHO [NH3+]C1(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CCCC1 ZINC000659572341 452427399 /nfs/dbraw/zinc/42/73/99/452427399.db2.gz BDKPDJJCBVNEDQ-LJQANCHMSA-N 1 3 346.475 1.194 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645484615 452456282 /nfs/dbraw/zinc/45/62/82/452456282.db2.gz KGDAKYVECTVQMX-GOSISDBHSA-N 1 3 344.503 1.438 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1CC[NH3+] ZINC000652356061 452533751 /nfs/dbraw/zinc/53/37/51/452533751.db2.gz RDZWEKHHPUHFGL-BHIYHBOVSA-N 1 3 346.519 1.855 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000645597142 452578341 /nfs/dbraw/zinc/57/83/41/452578341.db2.gz FPWHNMNFMGLVNF-GOSISDBHSA-N 1 3 344.503 1.703 20 0 EDADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000657969233 452648384 /nfs/dbraw/zinc/64/83/84/452648384.db2.gz KPFMCOCFLHVJDN-QAPCUYQASA-N 1 3 329.448 1.413 20 0 EDADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000657969233 452648391 /nfs/dbraw/zinc/64/83/91/452648391.db2.gz KPFMCOCFLHVJDN-QAPCUYQASA-N 1 3 329.448 1.413 20 0 EDADHO COC[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000648127091 452841991 /nfs/dbraw/zinc/84/19/91/452841991.db2.gz FYHMQMXIFVVSOD-PKOBYXMFSA-N 1 3 327.428 1.724 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OC(C)(C)C2 ZINC000654732913 452853329 /nfs/dbraw/zinc/85/33/29/452853329.db2.gz JRPAVSUCYTXXMC-UHFFFAOYSA-N 1 3 333.476 1.966 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758958 452890142 /nfs/dbraw/zinc/89/01/42/452890142.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 1 3 331.460 1.345 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758958 452890149 /nfs/dbraw/zinc/89/01/49/452890149.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 1 3 331.460 1.345 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000648177956 452890392 /nfs/dbraw/zinc/89/03/92/452890392.db2.gz FDTRFTLMJOKNOY-MELADBBJSA-N 1 3 327.350 1.324 20 0 EDADHO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000645959222 452939835 /nfs/dbraw/zinc/93/98/35/452939835.db2.gz STBVAHRGGZUNJR-KBAYOESNSA-N 1 3 333.476 1.532 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969067 /nfs/dbraw/zinc/96/90/67/452969067.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 1 3 343.471 1.440 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969071 /nfs/dbraw/zinc/96/90/71/452969071.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 1 3 343.471 1.440 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000662282374 453006491 /nfs/dbraw/zinc/00/64/91/453006491.db2.gz UGQHDFZEQFMHCB-GDBMZVCRSA-N 1 3 336.484 1.189 20 0 EDADHO CCOCCCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291089 453015064 /nfs/dbraw/zinc/01/50/64/453015064.db2.gz OSCZRPFMQCHIMK-WBVHZDCISA-N 1 3 325.497 1.629 20 0 EDADHO O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)NC1CCN(C2CC2)CC1 ZINC000662293351 453017292 /nfs/dbraw/zinc/01/72/92/453017292.db2.gz QVGVQWVAVWWZPW-KRWDZBQOSA-N 1 3 348.535 1.441 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662332492 453051752 /nfs/dbraw/zinc/05/17/52/453051752.db2.gz QIIZZGRQGUVZEI-KGLIPLIRSA-N 1 3 346.397 1.227 20 0 EDADHO c1c([C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338259 453057446 /nfs/dbraw/zinc/05/74/46/453057446.db2.gz PLTYTXFJSIUOKZ-HZPDHXFCSA-N 1 3 333.480 1.568 20 0 EDADHO c1c([C@@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338259 453057452 /nfs/dbraw/zinc/05/74/52/453057452.db2.gz PLTYTXFJSIUOKZ-HZPDHXFCSA-N 1 3 333.480 1.568 20 0 EDADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CNCCC1(F)F ZINC000644149665 453081384 /nfs/dbraw/zinc/08/13/84/453081384.db2.gz COIVXRIFKHYLJL-HNNXBMFYSA-N 1 3 338.402 1.659 20 0 EDADHO CNCc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662399317 453109010 /nfs/dbraw/zinc/10/90/10/453109010.db2.gz LWPURGINODHPEB-OAHLLOKOSA-N 1 3 328.420 1.564 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000666754276 453117560 /nfs/dbraw/zinc/11/75/60/453117560.db2.gz JTGGILYWRKNNNC-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662439683 453146335 /nfs/dbraw/zinc/14/63/35/453146335.db2.gz QSMCCCFSBVPEMD-UHFFFAOYSA-N 1 3 337.489 1.625 20 0 EDADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000660275662 453167343 /nfs/dbraw/zinc/16/73/43/453167343.db2.gz DIAXLTLUEWMHGV-ROUUACIJSA-N 1 3 339.524 1.387 20 0 EDADHO CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664575443 453209585 /nfs/dbraw/zinc/20/95/85/453209585.db2.gz BEXZBBZJWJBILI-BBWFWOEESA-N 1 3 342.528 1.761 20 0 EDADHO CC(C)[C@@H]1C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664575443 453209587 /nfs/dbraw/zinc/20/95/87/453209587.db2.gz BEXZBBZJWJBILI-BBWFWOEESA-N 1 3 342.528 1.761 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925351 453251278 /nfs/dbraw/zinc/25/12/78/453251278.db2.gz WUJARBACPFNQNO-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660395119 453269947 /nfs/dbraw/zinc/26/99/47/453269947.db2.gz AACBAZCBGYFEHV-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660395119 453269955 /nfs/dbraw/zinc/26/99/55/453269955.db2.gz AACBAZCBGYFEHV-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666978409 453299634 /nfs/dbraw/zinc/29/96/34/453299634.db2.gz ZFIFHZOUZDPJNI-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116725 453305925 /nfs/dbraw/zinc/30/59/25/453305925.db2.gz QDEGVEFLRAQJGS-RBUKOAKNSA-N 1 3 345.487 1.816 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338150 453329754 /nfs/dbraw/zinc/32/97/54/453329754.db2.gz CBVDVGARPNIOPD-KZNAEPCWSA-N 1 3 328.460 1.504 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653156271 453347624 /nfs/dbraw/zinc/34/76/24/453347624.db2.gz WSBRCTWNWZIBNP-MOPGFXCFSA-N 1 3 345.487 1.783 20 0 EDADHO [NH3+][C@H](CCC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662708597 453431632 /nfs/dbraw/zinc/43/16/32/453431632.db2.gz NIPNNNVNLCICOL-QZTJIDSGSA-N 1 3 331.460 1.836 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000667138261 453432220 /nfs/dbraw/zinc/43/22/20/453432220.db2.gz ZTHXCCNBJDDIHL-HOTGVXAUSA-N 1 3 348.495 1.831 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758917 453496175 /nfs/dbraw/zinc/49/61/75/453496175.db2.gz VHQLXOBDJJPCSS-GOSISDBHSA-N 1 3 344.503 1.438 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000662758260 453497157 /nfs/dbraw/zinc/49/71/57/453497157.db2.gz PPODITHPVPPKKH-IYARVYRRSA-N 1 3 344.503 1.751 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cnnn1C1CC[NH2+]CC1 ZINC000662777063 453512738 /nfs/dbraw/zinc/51/27/38/453512738.db2.gz RRQTZIAXCWFUDW-UHFFFAOYSA-N 1 3 344.394 1.240 20 0 EDADHO CCN1CCC(n2nccc2NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655443493 453530390 /nfs/dbraw/zinc/53/03/90/453530390.db2.gz WGQDHDAPJDBJPT-CRAIPNDOSA-N 1 3 331.464 1.868 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444918 453532478 /nfs/dbraw/zinc/53/24/78/453532478.db2.gz XMMIEADSJXQPSQ-AZUAARDMSA-N 1 3 327.472 1.941 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662814062 453546549 /nfs/dbraw/zinc/54/65/49/453546549.db2.gz NUCNTFBZYNLDNR-OALUTQOASA-N 1 3 343.471 1.691 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835841 453562681 /nfs/dbraw/zinc/56/26/81/453562681.db2.gz SCAYKHACRJWIAT-BRWVUGGUSA-N 1 3 331.464 1.554 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN(C)C(C)C)cc1 ZINC000662868396 453580108 /nfs/dbraw/zinc/58/01/08/453580108.db2.gz GOPWLTXFZUXYAX-ROUUACIJSA-N 1 3 333.476 1.987 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878030 453584463 /nfs/dbraw/zinc/58/44/63/453584463.db2.gz KPNJGVLBESQAQI-HIFRSBDPSA-N 1 3 343.349 1.828 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)C1 ZINC000659041875 453595563 /nfs/dbraw/zinc/59/55/63/453595563.db2.gz JVFBCRXZMMUYPE-HKUYNNGSSA-N 1 3 344.459 1.907 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)C1 ZINC000659041875 453595567 /nfs/dbraw/zinc/59/55/67/453595567.db2.gz JVFBCRXZMMUYPE-HKUYNNGSSA-N 1 3 344.459 1.907 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000662929790 453610115 /nfs/dbraw/zinc/61/01/15/453610115.db2.gz GYBWSCKXPJVGGW-UHFFFAOYSA-N 1 3 348.491 1.081 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871083 453625534 /nfs/dbraw/zinc/62/55/34/453625534.db2.gz XGQRSRTXLQISRR-UKPHBRMFSA-N 1 3 336.480 1.164 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871083 453625536 /nfs/dbraw/zinc/62/55/36/453625536.db2.gz XGQRSRTXLQISRR-UKPHBRMFSA-N 1 3 336.480 1.164 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000659096501 453629116 /nfs/dbraw/zinc/62/91/16/453629116.db2.gz CWUFYGCHKKCFMY-UHFFFAOYSA-N 1 3 346.475 1.807 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657308141 453762339 /nfs/dbraw/zinc/76/23/39/453762339.db2.gz OOSKMTBDZBRDLZ-UHFFFAOYSA-N 1 3 328.464 1.385 20 0 EDADHO C[NH+](C)CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000663409220 453791255 /nfs/dbraw/zinc/79/12/55/453791255.db2.gz KSQFPXDCPIVAOD-UHFFFAOYSA-N 1 3 333.480 1.545 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663489173 453808533 /nfs/dbraw/zinc/80/85/33/453808533.db2.gz ZVMQKMSXHMTPLT-UHFFFAOYSA-N 1 3 331.460 1.733 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1 ZINC000663489173 453808534 /nfs/dbraw/zinc/80/85/34/453808534.db2.gz ZVMQKMSXHMTPLT-UHFFFAOYSA-N 1 3 331.460 1.733 20 0 EDADHO Cc1nc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000663532436 453817124 /nfs/dbraw/zinc/81/71/24/453817124.db2.gz HEFRUHASGCVNEK-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO Cc1nc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000663532436 453817127 /nfs/dbraw/zinc/81/71/27/453817127.db2.gz HEFRUHASGCVNEK-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000382719654 486696488 /nfs/dbraw/zinc/69/64/88/486696488.db2.gz KNGHLVRAZUMHBP-QGZVFWFLSA-N 1 3 330.476 1.015 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416962472 486789865 /nfs/dbraw/zinc/78/98/65/486789865.db2.gz AECLINCWCKUEKG-CVEARBPZSA-N 1 3 334.464 1.696 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734273 486810125 /nfs/dbraw/zinc/81/01/25/486810125.db2.gz JQLKMSNHIAKUCX-IAGOWNOFSA-N 1 3 330.476 1.655 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683849799 486839426 /nfs/dbraw/zinc/83/94/26/486839426.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683849799 486839431 /nfs/dbraw/zinc/83/94/31/486839431.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667641685 486893815 /nfs/dbraw/zinc/89/38/15/486893815.db2.gz ZPRGMLQJQBORFV-CVEARBPZSA-N 1 3 348.495 1.688 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667801855 486971849 /nfs/dbraw/zinc/97/18/49/486971849.db2.gz DNRXDFFUIRQQJT-CZUORRHYSA-N 1 3 329.448 1.818 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)Nc2ccc3c(c2)CNCCO3)cn1 ZINC000667837709 486987054 /nfs/dbraw/zinc/98/70/54/486987054.db2.gz MTWQXYHZSOLDSO-UHFFFAOYSA-N 1 3 344.419 1.571 20 0 EDADHO CC(C)C[C@H](NCc1n[nH]c2ccccc12)C(=O)NCC[NH+](C)C ZINC000677521392 487109262 /nfs/dbraw/zinc/10/92/62/487109262.db2.gz MYOASQUYIJJKDH-INIZCTEOSA-N 1 3 331.464 1.745 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000673867530 487139356 /nfs/dbraw/zinc/13/93/56/487139356.db2.gz OOBBMOLLEDSNET-MRXNPFEDSA-N 1 3 334.468 1.537 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CCC(OC)CC1 ZINC000675196646 487388509 /nfs/dbraw/zinc/38/85/09/487388509.db2.gz GXBJAHMOGBNAQQ-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1ccccc1 ZINC000669545866 485536659 /nfs/dbraw/zinc/53/66/59/485536659.db2.gz IDKHDBVDROZYDF-DZJNRPSUSA-N 1 3 328.460 1.825 20 0 EDADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])N(C)C)cc1 ZINC000669586764 485637583 /nfs/dbraw/zinc/63/75/83/485637583.db2.gz SXNMFPYTBCIWNR-KEGWNNHHSA-N 1 3 334.464 1.891 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669312711 485959630 /nfs/dbraw/zinc/95/96/30/485959630.db2.gz CQCLEZCSLGCHSV-HKUYNNGSSA-N 1 3 342.487 1.828 20 0 EDADHO CN(c1ccccc1CN1CCC(=O)N(C)CC1)C1CC[NH+](C)CC1 ZINC000668620671 485961167 /nfs/dbraw/zinc/96/11/67/485961167.db2.gz NPBHBXYWOKGYID-UHFFFAOYSA-N 1 3 344.503 1.881 20 0 EDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262691712 535059986 /nfs/dbraw/zinc/05/99/86/535059986.db2.gz ARWZEFJLJBLUAD-HOCLYGCPSA-N 1 3 332.448 1.306 20 0 EDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262691712 535059990 /nfs/dbraw/zinc/05/99/90/535059990.db2.gz ARWZEFJLJBLUAD-HOCLYGCPSA-N 1 3 332.448 1.306 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN1CCOC ZINC000353105872 535332185 /nfs/dbraw/zinc/33/21/85/535332185.db2.gz AEUFRHUKCMRUSY-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1(C)C ZINC000261551779 535439475 /nfs/dbraw/zinc/43/94/75/535439475.db2.gz XTNXDFRNEAFRTO-MBOZVWFJSA-N 1 3 345.487 1.910 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000347072604 535481936 /nfs/dbraw/zinc/48/19/36/535481936.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000347072604 535481939 /nfs/dbraw/zinc/48/19/39/535481939.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO C[NH+](C)CCn1c2cc(NC(=O)[C@@H](N)C(C)(C)C)ccc2oc1=O ZINC000236988743 535933789 /nfs/dbraw/zinc/93/37/89/535933789.db2.gz BEFWWFIXHXTSJG-CQSZACIVSA-N 1 3 334.420 1.468 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H](N)c3ccccc3)CC2)CC1 ZINC000237164201 536340282 /nfs/dbraw/zinc/34/02/82/536340282.db2.gz ULSJMIHDXQIBNS-SFHVURJKSA-N 1 3 330.476 1.361 20 0 EDADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000743769343 579490424 /nfs/dbraw/zinc/49/04/24/579490424.db2.gz GCBYHRNYFNAETM-LJQANCHMSA-N 1 3 347.503 1.890 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727703758 578537965 /nfs/dbraw/zinc/53/79/65/578537965.db2.gz VOOVBDZEURSLFY-CQSZACIVSA-N 1 3 330.542 1.149 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000728389614 578547375 /nfs/dbraw/zinc/54/73/75/578547375.db2.gz ZVCWNDJERYMUPP-SFHVURJKSA-N 1 3 345.491 1.996 20 0 EDADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000760161535 580024719 /nfs/dbraw/zinc/02/47/19/580024719.db2.gz YOHBJDAPOGREMV-CHWSQXEVSA-N 1 3 334.407 1.400 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000729285960 578563257 /nfs/dbraw/zinc/56/32/57/578563257.db2.gz VHSOHQHYWALKDW-INIZCTEOSA-N 1 3 331.460 1.728 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000729285960 578563258 /nfs/dbraw/zinc/56/32/58/578563258.db2.gz VHSOHQHYWALKDW-INIZCTEOSA-N 1 3 331.460 1.728 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000747554069 579648696 /nfs/dbraw/zinc/64/86/96/579648696.db2.gz CTFGGDWVUDRWHH-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000747554069 579648697 /nfs/dbraw/zinc/64/86/97/579648697.db2.gz CTFGGDWVUDRWHH-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000749592927 579731845 /nfs/dbraw/zinc/73/18/45/579731845.db2.gz XOZALSMXOWQSQN-RDJZCZTQSA-N 1 3 331.464 1.786 20 0 EDADHO OC[C@@H]1CSCCN1CCCCCC[N@@H+]1CCSC[C@H]1CO ZINC000767120374 580182148 /nfs/dbraw/zinc/18/21/48/580182148.db2.gz SDHGFPDAJWAQPP-HZPDHXFCSA-N 1 3 348.578 1.366 20 0 EDADHO OC[C@@H]1CSCCN1CCCCCC[N@H+]1CCSC[C@H]1CO ZINC000767120374 580182149 /nfs/dbraw/zinc/18/21/49/580182149.db2.gz SDHGFPDAJWAQPP-HZPDHXFCSA-N 1 3 348.578 1.366 20 0 EDADHO CN(C)CCNC(=S)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000774271846 580358283 /nfs/dbraw/zinc/35/82/83/580358283.db2.gz MCUOJEPINLMOGD-KRWDZBQOSA-N 1 3 334.533 1.923 20 0 EDADHO CN(C)CCNC(=S)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000774271846 580358284 /nfs/dbraw/zinc/35/82/84/580358284.db2.gz MCUOJEPINLMOGD-KRWDZBQOSA-N 1 3 334.533 1.923 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOCCSC ZINC000793426585 580843877 /nfs/dbraw/zinc/84/38/77/580843877.db2.gz TUXHJFXWVCHWHD-AWEZNQCLSA-N 1 3 332.514 1.339 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOCCSC ZINC000793426585 580843878 /nfs/dbraw/zinc/84/38/78/580843878.db2.gz TUXHJFXWVCHWHD-AWEZNQCLSA-N 1 3 332.514 1.339 20 0 EDADHO CN(C)CCOCCNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891841134 590649027 /nfs/dbraw/zinc/64/90/27/590649027.db2.gz FKPXNZMBQZISSA-OAHLLOKOSA-N 1 3 326.485 1.176 20 0 EDADHO CC(C)[NH+]1CCC(O)(CN[C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893106347 590664729 /nfs/dbraw/zinc/66/47/29/590664729.db2.gz PHOZZGYJFKXVNU-LSDHHAIUSA-N 1 3 330.444 1.445 20 0 EDADHO CN1CCN(CCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000891880880 590667389 /nfs/dbraw/zinc/66/73/89/590667389.db2.gz OFQKWWVWXTZXEH-HNNXBMFYSA-N 1 3 339.528 1.090 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC1 ZINC000891954756 590705631 /nfs/dbraw/zinc/70/56/31/590705631.db2.gz UURYXNWOSADYOG-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1)C1CC1 ZINC000891954756 590705634 /nfs/dbraw/zinc/70/56/34/590705634.db2.gz UURYXNWOSADYOG-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO N[C@@H](CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000892030287 590756914 /nfs/dbraw/zinc/75/69/14/590756914.db2.gz GEKUCCUIQMJDDY-UPJWGTAASA-N 1 3 330.354 1.465 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N(CCOC)CC1CCN(C)CC1 ZINC000892036966 590764590 /nfs/dbraw/zinc/76/45/90/590764590.db2.gz SGKLBEOIUPPLAL-UHFFFAOYSA-N 1 3 328.501 1.504 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170619 590842097 /nfs/dbraw/zinc/84/20/97/590842097.db2.gz VCVBGOLOHBMHHF-QZTJIDSGSA-N 1 3 346.475 1.247 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348227 591053752 /nfs/dbraw/zinc/05/37/52/591053752.db2.gz CJGBZYQFNZQVMN-JKSUJKDBSA-N 1 3 338.496 1.319 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578110 591079068 /nfs/dbraw/zinc/07/90/68/591079068.db2.gz PYVBGMQANPXKNG-BZSNNMDCSA-N 1 3 345.491 1.815 20 0 EDADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1Cc2ccccc2CN1 ZINC000892585526 591081911 /nfs/dbraw/zinc/08/19/11/591081911.db2.gz WRIHECFWYMMZKZ-NBMRYCAZSA-N 1 3 328.460 1.531 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000891576697 591132728 /nfs/dbraw/zinc/13/27/28/591132728.db2.gz NGIGUWPKCUDJCI-JHJVBQTASA-N 1 3 334.386 1.249 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000891642378 591164151 /nfs/dbraw/zinc/16/41/51/591164151.db2.gz YSYTWYGIYPXCAW-SJORKVTESA-N 1 3 340.537 1.599 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105436 591195809 /nfs/dbraw/zinc/19/58/09/591195809.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105436 591195812 /nfs/dbraw/zinc/19/58/12/591195812.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356914 /nfs/dbraw/zinc/35/69/14/591356914.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 1 3 342.487 1.772 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356920 /nfs/dbraw/zinc/35/69/20/591356920.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 1 3 342.487 1.772 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894815335 591427971 /nfs/dbraw/zinc/42/79/71/591427971.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 1 3 338.496 1.101 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894815335 591427973 /nfs/dbraw/zinc/42/79/73/591427973.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 1 3 338.496 1.101 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000896495940 591481730 /nfs/dbraw/zinc/48/17/30/591481730.db2.gz IARQHVSRGLQQTE-KRWDZBQOSA-N 1 3 335.492 1.574 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000898121378 591788719 /nfs/dbraw/zinc/78/87/19/591788719.db2.gz NFVZINSTYZCILG-UHFFFAOYSA-N 1 3 345.487 1.715 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000900198207 591938442 /nfs/dbraw/zinc/93/84/42/591938442.db2.gz ULFLXQVSMRRZRC-FUHWJXTLSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H]1CCC[C@H](C)N1C(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811208 592068860 /nfs/dbraw/zinc/06/88/60/592068860.db2.gz NIENMQTZBKKYNY-ZQDZILKHSA-N 1 3 338.452 1.138 20 0 EDADHO C[C@H]1CCC[C@H](C)N1C(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811208 592068863 /nfs/dbraw/zinc/06/88/63/592068863.db2.gz NIENMQTZBKKYNY-ZQDZILKHSA-N 1 3 338.452 1.138 20 0 EDADHO C[C@@H](C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)CN(C)C ZINC000903175204 592130834 /nfs/dbraw/zinc/13/08/34/592130834.db2.gz RLSZYJODNFRGNK-HNNXBMFYSA-N 1 3 342.528 1.763 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000903444211 592172921 /nfs/dbraw/zinc/17/29/21/592172921.db2.gz PSYJUGWCGACLJB-JKSUJKDBSA-N 1 3 348.466 1.301 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C[C@H](O)COc3ccccc3)CC2)C1 ZINC000903444064 592172963 /nfs/dbraw/zinc/17/29/63/592172963.db2.gz OQTLVEAESWDGGU-KSZLIROESA-N 1 3 333.476 1.171 20 0 EDADHO FC(F)(F)[C@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903505604 592181654 /nfs/dbraw/zinc/18/16/54/592181654.db2.gz DVECCZGGZDETSJ-QKPAOTATSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)O1 ZINC000903505604 592181657 /nfs/dbraw/zinc/18/16/57/592181657.db2.gz DVECCZGGZDETSJ-QKPAOTATSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)O1 ZINC000903505604 592181659 /nfs/dbraw/zinc/18/16/59/592181659.db2.gz DVECCZGGZDETSJ-QKPAOTATSA-N 1 3 347.425 1.997 20 0 EDADHO C[C@@H]1CN(CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1CC[NH3+] ZINC000903497044 592188423 /nfs/dbraw/zinc/18/84/23/592188423.db2.gz OJYYATZIGLZBBH-HZPDHXFCSA-N 1 3 348.466 1.391 20 0 EDADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511786 592191089 /nfs/dbraw/zinc/19/10/89/592191089.db2.gz ZUIHCZHFRJVZTO-OQIJWPOYSA-N 1 3 348.535 1.582 20 0 EDADHO C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511786 592191092 /nfs/dbraw/zinc/19/10/92/592191092.db2.gz ZUIHCZHFRJVZTO-OQIJWPOYSA-N 1 3 348.535 1.582 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024254 592202464 /nfs/dbraw/zinc/20/24/64/592202464.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 1 3 338.540 1.638 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024254 592202465 /nfs/dbraw/zinc/20/24/65/592202465.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 1 3 338.540 1.638 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1 ZINC000903557995 592219003 /nfs/dbraw/zinc/21/90/03/592219003.db2.gz LHWZTGDNPIWPCV-UHFFFAOYSA-N 1 3 337.489 1.559 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000906654179 592236393 /nfs/dbraw/zinc/23/63/93/592236393.db2.gz GMNPDFCZYMGZLI-UHFFFAOYSA-N 1 3 344.459 1.607 20 0 EDADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663042 592244994 /nfs/dbraw/zinc/24/49/94/592244994.db2.gz CCUAGWXZSVOFQA-HOCLYGCPSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663042 592244997 /nfs/dbraw/zinc/24/49/97/592244997.db2.gz CCUAGWXZSVOFQA-HOCLYGCPSA-N 1 3 330.432 1.027 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904433010 592256220 /nfs/dbraw/zinc/25/62/20/592256220.db2.gz JBYOMIKEBLOJLJ-SJLPKXTDSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904433010 592256224 /nfs/dbraw/zinc/25/62/24/592256224.db2.gz JBYOMIKEBLOJLJ-SJLPKXTDSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904433010 592256227 /nfs/dbraw/zinc/25/62/27/592256227.db2.gz JBYOMIKEBLOJLJ-SJLPKXTDSA-N 1 3 334.508 1.985 20 0 EDADHO CCCC(=O)NC[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725503 592285336 /nfs/dbraw/zinc/28/53/36/592285336.db2.gz BTCDLQOTKJUQHQ-IRXDYDNUSA-N 1 3 337.508 1.773 20 0 EDADHO Cc1nc(C[C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730299 592286912 /nfs/dbraw/zinc/28/69/12/592286912.db2.gz VGSPHHKHJABEPK-HOTGVXAUSA-N 1 3 334.464 1.791 20 0 EDADHO Cc1ccc(OC[C@H](O)C[N@@H+]2CCNCCC23CCOCC3)c(C)c1 ZINC000903820161 592333619 /nfs/dbraw/zinc/33/36/19/592333619.db2.gz VJXFBRXXVBBTFJ-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1ccc(OC[C@H](O)C[N@H+]2CCNCCC23CCOCC3)c(C)c1 ZINC000903820161 592333623 /nfs/dbraw/zinc/33/36/23/592333623.db2.gz VJXFBRXXVBBTFJ-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000903865342 592341278 /nfs/dbraw/zinc/34/12/78/592341278.db2.gz CMZRETIGXCORAV-MJGOQNOKSA-N 1 3 330.476 1.233 20 0 EDADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCCCC1 ZINC000903877567 592357668 /nfs/dbraw/zinc/35/76/68/592357668.db2.gz BPMTXWVRADXRPI-YQQQUEKLSA-N 1 3 348.535 1.537 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000903898098 592368683 /nfs/dbraw/zinc/36/86/83/592368683.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 1 3 344.507 1.651 20 0 EDADHO C[C@@H](COc1cccc(F)c1)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920269 592377364 /nfs/dbraw/zinc/37/73/64/592377364.db2.gz HYLYWZZFJBWDAL-ZFWWWQNUSA-N 1 3 333.411 1.899 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCN(C)Cc3ccccc32)cnn1C ZINC000903925467 592380122 /nfs/dbraw/zinc/38/01/22/592380122.db2.gz FQSWZONHZSRVCX-MRXNPFEDSA-N 1 3 327.476 1.798 20 0 EDADHO COc1cccc2c1OC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937184 592387179 /nfs/dbraw/zinc/38/71/79/592387179.db2.gz DMJAFFOKFCWGTB-HUUCEWRRSA-N 1 3 343.431 1.305 20 0 EDADHO C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccncc1 ZINC000903937841 592387880 /nfs/dbraw/zinc/38/78/80/592387880.db2.gz SKPVQGLFULQLHB-DOTOQJQBSA-N 1 3 341.463 1.308 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917527 592390039 /nfs/dbraw/zinc/39/00/39/592390039.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 1 3 330.480 1.237 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917527 592390043 /nfs/dbraw/zinc/39/00/43/592390043.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 1 3 330.480 1.237 20 0 EDADHO COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](CN)Cc1cnn(C)c1C)C2 ZINC000903939909 592391786 /nfs/dbraw/zinc/39/17/86/592391786.db2.gz QHUOTHVKCMPRTL-ZVZYQTTQSA-N 1 3 334.464 1.121 20 0 EDADHO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](CN)Cc1cnn(C)c1C)C2 ZINC000903939909 592391792 /nfs/dbraw/zinc/39/17/92/592391792.db2.gz QHUOTHVKCMPRTL-ZVZYQTTQSA-N 1 3 334.464 1.121 20 0 EDADHO COC(=O)[C@]12CCC[C@H]1CN(C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903939909 592391797 /nfs/dbraw/zinc/39/17/97/592391797.db2.gz QHUOTHVKCMPRTL-ZVZYQTTQSA-N 1 3 334.464 1.121 20 0 EDADHO COc1cc(-c2noc([C@H](CN)OC)n2)ccc1OCC[NH+](C)C ZINC000904101932 592425952 /nfs/dbraw/zinc/42/59/52/592425952.db2.gz WJZGRJNUVBZTQC-AWEZNQCLSA-N 1 3 336.392 1.332 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344775 592500517 /nfs/dbraw/zinc/50/05/17/592500517.db2.gz YTFWULMWLHTNIM-ZNMIVQPWSA-N 1 3 331.526 1.272 20 0 EDADHO CCCCN1CCCC[C@@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341406 592512050 /nfs/dbraw/zinc/51/20/50/592512050.db2.gz ZVCHRVPNKJBCSQ-MRXNPFEDSA-N 1 3 331.526 1.560 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905889613 592668794 /nfs/dbraw/zinc/66/87/94/592668794.db2.gz NKFKTBVYKPCXPG-RBUKOAKNSA-N 1 3 336.476 1.520 20 0 EDADHO CC(C)(C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)N1CCCCC1 ZINC000910366994 592846050 /nfs/dbraw/zinc/84/60/50/592846050.db2.gz XISGGBMNDWIAPI-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)(C(=O)N1CCC([N@H+]2CCCOCC2)CC1)N1CCCCC1 ZINC000910366994 592846052 /nfs/dbraw/zinc/84/60/52/592846052.db2.gz XISGGBMNDWIAPI-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000906644409 592865461 /nfs/dbraw/zinc/86/54/61/592865461.db2.gz AFMSFTPRFTZBFD-UHFFFAOYSA-N 1 3 330.432 1.074 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000910963562 592904729 /nfs/dbraw/zinc/90/47/29/592904729.db2.gz LUKIWOQGYLTSMA-XIRDDKMYSA-N 1 3 346.475 1.039 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911663533 592973247 /nfs/dbraw/zinc/97/32/47/592973247.db2.gz DUMYLSPCUFOXIG-ZDUSSCGKSA-N 1 3 327.375 1.446 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911666405 592974111 /nfs/dbraw/zinc/97/41/11/592974111.db2.gz YEZOFPYHDGYWRD-CXHZTBPHSA-N 1 3 331.460 1.980 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000911811196 593015669 /nfs/dbraw/zinc/01/56/69/593015669.db2.gz RHMCXMZFMIQGIE-OLMNPRSZSA-N 1 3 329.444 1.818 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000912588059 593106560 /nfs/dbraw/zinc/10/65/60/593106560.db2.gz IGSXZGJTNFJJEL-IYBDPMFKSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CCN(C)c2ccncc2)CC1 ZINC000912587832 593106588 /nfs/dbraw/zinc/10/65/88/593106588.db2.gz YETLDDSPOGSECF-UHFFFAOYSA-N 1 3 348.491 1.507 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1ccccn1 ZINC000806728549 593112281 /nfs/dbraw/zinc/11/22/81/593112281.db2.gz CYHDCEFLKGLNAP-SFHVURJKSA-N 1 3 348.491 1.473 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1ccccn1 ZINC000806728549 593112284 /nfs/dbraw/zinc/11/22/84/593112284.db2.gz CYHDCEFLKGLNAP-SFHVURJKSA-N 1 3 348.491 1.473 20 0 EDADHO CN(C)C[C@H](NC(=S)NCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000802721477 593272176 /nfs/dbraw/zinc/27/21/76/593272176.db2.gz VAVLJQNTDUIVMA-AWEZNQCLSA-N 1 3 328.913 1.968 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727496 593374743 /nfs/dbraw/zinc/37/47/43/593374743.db2.gz FNMBNSZECXDCGW-HOCLYGCPSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@@H]1CN(CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548920 593417670 /nfs/dbraw/zinc/41/76/70/593417670.db2.gz KTQNPKVLPFLYRT-OAHLLOKOSA-N 1 3 344.569 1.539 20 0 EDADHO COc1cc2[nH+]ccc(NC[C@@H]3CN4CCC[C@H]4CO3)c2cc1OC ZINC000840252478 593500290 /nfs/dbraw/zinc/50/02/90/593500290.db2.gz WCLJHHCRWCZCSC-UONOGXRCSA-N 1 3 343.427 1.949 20 0 EDADHO C[C@H](CNC(=O)/C=C/c1ccc(OCCN(C)C)cc1)C[NH+](C)C ZINC000816833203 593552532 /nfs/dbraw/zinc/55/25/32/593552532.db2.gz ARAGLALTKMRDFJ-YCABEKBOSA-N 1 3 333.476 1.954 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597955 /nfs/dbraw/zinc/59/79/55/593597955.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 1 3 336.524 1.837 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597956 /nfs/dbraw/zinc/59/79/56/593597956.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 1 3 336.524 1.837 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000817373926 593597957 /nfs/dbraw/zinc/59/79/57/593597957.db2.gz TYVSRSHQRYVIAW-UHFFFAOYSA-N 1 3 336.524 1.837 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817910675 593647816 /nfs/dbraw/zinc/64/78/16/593647816.db2.gz CXEYCVBLLQFKNN-STQMWFEESA-N 1 3 339.452 1.358 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C(C)(C)CN(C)C ZINC000819102187 593738885 /nfs/dbraw/zinc/73/88/85/593738885.db2.gz GYFOUHXPAJMYHG-CZUORRHYSA-N 1 3 342.505 1.689 20 0 EDADHO CCn1nc(C)c(CNCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000823944297 593892088 /nfs/dbraw/zinc/89/20/88/593892088.db2.gz VYYOBVFYWCVLHZ-UHFFFAOYSA-N 1 3 334.512 1.646 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(CN(C)C)c1 ZINC000820829852 593899617 /nfs/dbraw/zinc/89/96/17/593899617.db2.gz NBNSWIUEMVWESQ-GOEBONIOSA-N 1 3 339.505 1.680 20 0 EDADHO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824546699 594036337 /nfs/dbraw/zinc/03/63/37/594036337.db2.gz KASYHDPJLCOAIV-AWEZNQCLSA-N 1 3 343.479 1.543 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824594282 594044531 /nfs/dbraw/zinc/04/45/31/594044531.db2.gz ZPRQBRHWAYDPTP-OAHLLOKOSA-N 1 3 343.479 1.545 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824594282 594044533 /nfs/dbraw/zinc/04/45/33/594044533.db2.gz ZPRQBRHWAYDPTP-OAHLLOKOSA-N 1 3 343.479 1.545 20 0 EDADHO CC(C)(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]([NH3+])c1ccccc1 ZINC000827936848 594306821 /nfs/dbraw/zinc/30/68/21/594306821.db2.gz WVBQVAHRDOWAPU-BRWVUGGUSA-N 1 3 331.460 1.692 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841018650 594840244 /nfs/dbraw/zinc/84/02/44/594840244.db2.gz ZLKQXQQJGBUOGH-OAHLLOKOSA-N 1 3 331.464 1.784 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000841020730 594840851 /nfs/dbraw/zinc/84/08/51/594840851.db2.gz UTNLOHLDMGMMHQ-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)C1(CNC(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000841455447 594902997 /nfs/dbraw/zinc/90/29/97/594902997.db2.gz SGIIUPHFWIGSRX-YFHOEESVSA-N 1 3 331.460 1.851 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847176 594964490 /nfs/dbraw/zinc/96/44/90/594964490.db2.gz RXELJGFBXGMBPH-GFCCVEGCSA-N 1 3 331.416 1.674 20 0 EDADHO CC[NH2+]CCCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000841918122 594981397 /nfs/dbraw/zinc/98/13/97/594981397.db2.gz SFKGMDXRQXZRMI-IBGZPJMESA-N 1 3 348.491 1.264 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000842015387 595002946 /nfs/dbraw/zinc/00/29/46/595002946.db2.gz KJVSNTLMPWNXPU-GJZGRUSLSA-N 1 3 346.475 1.313 20 0 EDADHO COc1cc(-c2noc(CCCC[NH3+])n2)ccc1OCCN(C)C ZINC000843200190 595030751 /nfs/dbraw/zinc/03/07/51/595030751.db2.gz AHLWZUAWOVAMRT-UHFFFAOYSA-N 1 3 334.420 1.967 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258886 595055105 /nfs/dbraw/zinc/05/51/05/595055105.db2.gz DBXVQYZSFNSGIA-BZUAXINKSA-N 1 3 340.512 1.104 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000844178202 595293540 /nfs/dbraw/zinc/29/35/40/595293540.db2.gz WJJLBYPRVBLAAT-MOPGFXCFSA-N 1 3 345.487 1.926 20 0 EDADHO C[NH+](C)CCOc1ccc(-c2noc(C[C@H]3CSCCN3)n2)cc1 ZINC000843178495 595299701 /nfs/dbraw/zinc/29/97/01/595299701.db2.gz SFRTZSYFBRWUAT-AWEZNQCLSA-N 1 3 348.472 1.925 20 0 EDADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218577 595305021 /nfs/dbraw/zinc/30/50/21/595305021.db2.gz WHBADSQDJVJSAJ-INIZCTEOSA-N 1 3 346.475 1.523 20 0 EDADHO COC(=O)/C=C/c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910271 595466223 /nfs/dbraw/zinc/46/62/23/595466223.db2.gz HNQMTDZMHIBKRS-BQYQJAHWSA-N 1 3 349.475 1.924 20 0 EDADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073766 595478387 /nfs/dbraw/zinc/47/83/87/595478387.db2.gz BQVUUAOJHKFGCX-HUUCEWRRSA-N 1 3 346.431 1.647 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000849098151 595481455 /nfs/dbraw/zinc/48/14/55/595481455.db2.gz PGHNYYLFWZBCRV-STQMWFEESA-N 1 3 327.473 1.498 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112693 595483986 /nfs/dbraw/zinc/48/39/86/595483986.db2.gz BZBAQDICPACDDT-HNNXBMFYSA-N 1 3 327.436 1.366 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553148 /nfs/dbraw/zinc/55/31/48/595553148.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 1 3 347.507 1.302 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553150 /nfs/dbraw/zinc/55/31/50/595553150.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 1 3 347.507 1.302 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502417 595553188 /nfs/dbraw/zinc/55/31/88/595553188.db2.gz QJKYFDYQEAGHIM-DLBZAZTESA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559818 /nfs/dbraw/zinc/55/98/18/595559818.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559819 /nfs/dbraw/zinc/55/98/19/595559819.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 1 3 347.507 1.444 20 0 EDADHO NC[C@@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)=NO1 ZINC000852857343 595578747 /nfs/dbraw/zinc/57/87/47/595578747.db2.gz QBLSSTUAILUXQF-INIZCTEOSA-N 1 3 330.432 1.392 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593046 /nfs/dbraw/zinc/59/30/46/595593046.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 1 3 333.480 1.008 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593048 /nfs/dbraw/zinc/59/30/48/595593048.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 1 3 333.480 1.008 20 0 EDADHO COc1cccc([C@@H](O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)c1 ZINC000860144192 595594618 /nfs/dbraw/zinc/59/46/18/595594618.db2.gz WANYKXPIRNECAV-QUCCMNQESA-N 1 3 348.487 1.897 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612369 595596912 /nfs/dbraw/zinc/59/69/12/595596912.db2.gz KNUFQQYYDLETIH-IRXDYDNUSA-N 1 3 349.523 1.738 20 0 EDADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@H]1NCc2ccccc21 ZINC000851634524 595862960 /nfs/dbraw/zinc/86/29/60/595862960.db2.gz HMVBYYMPDYIYNG-QGZVFWFLSA-N 1 3 338.411 1.548 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780816 595921112 /nfs/dbraw/zinc/92/11/12/595921112.db2.gz KQYPCNWHLOEKFO-LSDHHAIUSA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000851780816 595921113 /nfs/dbraw/zinc/92/11/13/595921113.db2.gz KQYPCNWHLOEKFO-LSDHHAIUSA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000851780816 595921116 /nfs/dbraw/zinc/92/11/16/595921116.db2.gz KQYPCNWHLOEKFO-LSDHHAIUSA-N 1 3 334.397 1.989 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCC(N3CCCOCC3)CC2)CC1 ZINC000861985017 596170221 /nfs/dbraw/zinc/17/02/21/596170221.db2.gz QPZCGWDRQTVTQG-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CC1(C)CC[C@H](CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660407 596283713 /nfs/dbraw/zinc/28/37/13/596283713.db2.gz HRXOSKVRAZSGHD-GVDBMIGSSA-N 1 3 337.508 1.772 20 0 EDADHO C[N@@H+]1CC[C@@](O)(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325981 596302002 /nfs/dbraw/zinc/30/20/02/596302002.db2.gz IBGSRNCGRBQVTF-IUODEOHRSA-N 1 3 349.422 1.287 20 0 EDADHO C[N@H+]1CC[C@@](O)(CNC[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 ZINC000862325981 596302005 /nfs/dbraw/zinc/30/20/05/596302005.db2.gz IBGSRNCGRBQVTF-IUODEOHRSA-N 1 3 349.422 1.287 20 0 EDADHO CO[C@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712263 596304821 /nfs/dbraw/zinc/30/48/21/596304821.db2.gz SBMBPJJQEQXMLL-VVLHAWIVSA-N 1 3 337.464 1.449 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908505 596399598 /nfs/dbraw/zinc/39/95/98/596399598.db2.gz NRVCPDCQAUYSKN-XUWXXGDYSA-N 1 3 337.414 1.982 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(-n2cccc2)c1 ZINC000865177741 596501086 /nfs/dbraw/zinc/50/10/86/596501086.db2.gz KTJGOFKBMSYEQS-UHFFFAOYSA-N 1 3 329.448 1.438 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cnn(C)c2)cc1 ZINC000865178159 596502223 /nfs/dbraw/zinc/50/22/23/596502223.db2.gz ROZMDLYWDUJBJU-UHFFFAOYSA-N 1 3 343.475 1.653 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000871466962 596593145 /nfs/dbraw/zinc/59/31/45/596593145.db2.gz AZGVGSAHQBKTNG-XHSDSOJGSA-N 1 3 340.512 1.164 20 0 EDADHO COc1cc(NC[C@@H](O)C[NH+]2CCCC2)ccc1OCCN(C)C ZINC000863559918 596618852 /nfs/dbraw/zinc/61/88/52/596618852.db2.gz YKICQFNNNXNJPB-MRXNPFEDSA-N 1 3 337.464 1.504 20 0 EDADHO Cc1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)n(C2CCN(C)CC2)n1 ZINC000868130821 596697225 /nfs/dbraw/zinc/69/72/25/596697225.db2.gz SLHGQVWWKDSZGS-CVEARBPZSA-N 1 3 346.479 1.816 20 0 EDADHO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000872201919 596833763 /nfs/dbraw/zinc/83/37/63/596833763.db2.gz LVVHPWWUIOHUNW-SFHVURJKSA-N 1 3 336.476 1.255 20 0 EDADHO COC(=O)C1=CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872215929 596838905 /nfs/dbraw/zinc/83/89/05/596838905.db2.gz IHUCQCSETAPJBY-MJGOQNOKSA-N 1 3 330.428 1.475 20 0 EDADHO COC(=O)C1=CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872215929 596838907 /nfs/dbraw/zinc/83/89/07/596838907.db2.gz IHUCQCSETAPJBY-MJGOQNOKSA-N 1 3 330.428 1.475 20 0 EDADHO CCOC(=O)C1=CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216021 596839792 /nfs/dbraw/zinc/83/97/92/596839792.db2.gz MBYMONSIWOHOFJ-QUCCMNQESA-N 1 3 344.455 1.865 20 0 EDADHO CCOC(=O)C1=CC[C@@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216021 596839794 /nfs/dbraw/zinc/83/97/94/596839794.db2.gz MBYMONSIWOHOFJ-QUCCMNQESA-N 1 3 344.455 1.865 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)n2)CC1 ZINC000873322989 597256353 /nfs/dbraw/zinc/25/63/53/597256353.db2.gz KHWQYGVGQDMPNL-RHSMWYFYSA-N 1 3 332.452 1.556 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876719284 597303486 /nfs/dbraw/zinc/30/34/86/597303486.db2.gz HLCXGBOWGCBCRN-UHFFFAOYSA-N 1 3 341.459 1.316 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000876755215 597324061 /nfs/dbraw/zinc/32/40/61/597324061.db2.gz SYVFRGDJVGBQSC-JKSUJKDBSA-N 1 3 331.464 1.425 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782595 597338926 /nfs/dbraw/zinc/33/89/26/597338926.db2.gz XTFJNSXRWGUJDL-MSOLQXFVSA-N 1 3 344.503 1.424 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151767 597443842 /nfs/dbraw/zinc/44/38/42/597443842.db2.gz RESWZQFTLCYHMO-DLBZAZTESA-N 1 3 332.492 1.340 20 0 EDADHO COC(=O)c1ccccc1CC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879596700 597651447 /nfs/dbraw/zinc/65/14/47/597651447.db2.gz QNTYWYCHHVVNCA-UHFFFAOYSA-N 1 3 345.487 1.728 20 0 EDADHO COC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCOC1 ZINC000883191354 597682075 /nfs/dbraw/zinc/68/20/75/597682075.db2.gz ZRSOLKDUYFNAMU-BQFCYCMXSA-N 1 3 326.481 1.519 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792008 /nfs/dbraw/zinc/79/20/08/597792008.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 1 3 337.508 1.602 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792010 /nfs/dbraw/zinc/79/20/10/597792010.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 1 3 337.508 1.602 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792011 /nfs/dbraw/zinc/79/20/11/597792011.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 1 3 337.508 1.602 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597792014 /nfs/dbraw/zinc/79/20/14/597792014.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 1 3 337.508 1.602 20 0 EDADHO CSCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132138146 597798126 /nfs/dbraw/zinc/79/81/26/597798126.db2.gz XCZSTJTUZLIATE-CQSZACIVSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000883770345 597895151 /nfs/dbraw/zinc/89/51/51/597895151.db2.gz PANSKZVYORKSPS-HOTGVXAUSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC(C)(C)CO1 ZINC000883770345 597895152 /nfs/dbraw/zinc/89/51/52/597895152.db2.gz PANSKZVYORKSPS-HOTGVXAUSA-N 1 3 342.528 1.763 20 0 EDADHO N[C@@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000884022214 597970520 /nfs/dbraw/zinc/97/05/20/597970520.db2.gz AAWRSFMNRVPOLT-INIZCTEOSA-N 1 3 331.416 1.661 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000884220512 598033627 /nfs/dbraw/zinc/03/36/27/598033627.db2.gz VLPDLYWZPDXEGC-KRWDZBQOSA-N 1 3 335.448 1.141 20 0 EDADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000884284798 598054589 /nfs/dbraw/zinc/05/45/89/598054589.db2.gz SAQSCQXJJJPERR-GOSISDBHSA-N 1 3 339.439 1.902 20 0 EDADHO C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993929365 696448400 /nfs/dbraw/zinc/44/84/00/696448400.db2.gz PKWMLAAXRJWBPW-SJLPKXTDSA-N 1 3 347.507 1.584 20 0 EDADHO COCCN1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489187 696931365 /nfs/dbraw/zinc/93/13/65/696931365.db2.gz TXFSSSZCJNMVNY-YJBOKZPZSA-N 1 3 333.476 1.977 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)CC[N@@H+]1C ZINC001031681754 697505820 /nfs/dbraw/zinc/50/58/20/697505820.db2.gz HXOAXKBRHMAFJQ-OLMNPRSZSA-N 1 3 337.508 1.316 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CN(C[C@H](O)C3CCCCC3)C2)CC[N@H+]1C ZINC001031681754 697505822 /nfs/dbraw/zinc/50/58/22/697505822.db2.gz HXOAXKBRHMAFJQ-OLMNPRSZSA-N 1 3 337.508 1.316 20 0 EDADHO O=C(NCC1CN(CCc2ccccc2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688571 697525567 /nfs/dbraw/zinc/52/55/67/697525567.db2.gz IRGFTNYXVBZTHK-RTBURBONSA-N 1 3 343.471 1.140 20 0 EDADHO O=C(NCC1CN(CCc2ccccc2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031688571 697525568 /nfs/dbraw/zinc/52/55/68/697525568.db2.gz IRGFTNYXVBZTHK-RTBURBONSA-N 1 3 343.471 1.140 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730675 698086680 /nfs/dbraw/zinc/08/66/80/698086680.db2.gz VATXOZAXYOXVSU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730675 698086684 /nfs/dbraw/zinc/08/66/84/698086684.db2.gz VATXOZAXYOXVSU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566973 701585564 /nfs/dbraw/zinc/58/55/64/701585564.db2.gz NHNVQSOCRLKJMM-LPHOPBHVSA-N 1 3 348.535 1.203 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566973 701585565 /nfs/dbraw/zinc/58/55/65/701585565.db2.gz NHNVQSOCRLKJMM-LPHOPBHVSA-N 1 3 348.535 1.203 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1ccns1 ZINC000939257021 699434207 /nfs/dbraw/zinc/43/42/07/699434207.db2.gz IGIQHLMMMFQHPP-CJNGLKHVSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939258549 699436138 /nfs/dbraw/zinc/43/61/38/699436138.db2.gz RBLDBZAXNQHPEZ-FZKQIMNGSA-N 1 3 348.491 1.960 20 0 EDADHO CC(C)(C)CCN1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640773 701600506 /nfs/dbraw/zinc/60/05/06/701600506.db2.gz ARWFKISBOCYKPD-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO Cc1cc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166155 701620044 /nfs/dbraw/zinc/62/00/44/701620044.db2.gz GFTRSCXHLQHZTE-LSDHHAIUSA-N 1 3 332.448 1.453 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccns1 ZINC000939809881 699958210 /nfs/dbraw/zinc/95/82/10/699958210.db2.gz KIKYNZSBPFFBME-GDBMZVCRSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940328911 700507515 /nfs/dbraw/zinc/50/75/15/700507515.db2.gz NDVXCROVZYENCJ-ZDUSSCGKSA-N 1 3 337.493 1.493 20 0 EDADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940328911 700507518 /nfs/dbraw/zinc/50/75/18/700507518.db2.gz NDVXCROVZYENCJ-ZDUSSCGKSA-N 1 3 337.493 1.493 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329767 700509684 /nfs/dbraw/zinc/50/96/84/700509684.db2.gz YQBYBAZKNFISHD-HNNXBMFYSA-N 1 3 333.480 1.375 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000940392129 700568527 /nfs/dbraw/zinc/56/85/27/700568527.db2.gz LAJWQNRQHLKTCY-QGZVFWFLSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427161 700621259 /nfs/dbraw/zinc/62/12/59/700621259.db2.gz ATYQVSXVYKBJNF-UHFFFAOYSA-N 1 3 332.448 1.550 20 0 EDADHO Cn1cc(CNC2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)nn1 ZINC000940472400 700657698 /nfs/dbraw/zinc/65/76/98/700657698.db2.gz VSELGGQYGDBJDO-UHFFFAOYSA-N 1 3 348.495 1.162 20 0 EDADHO Cc1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000940457605 700661163 /nfs/dbraw/zinc/66/11/63/700661163.db2.gz MOWLJGYCINSGCC-CQSZACIVSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000940457605 700661165 /nfs/dbraw/zinc/66/11/65/700661165.db2.gz MOWLJGYCINSGCC-CQSZACIVSA-N 1 3 336.505 1.874 20 0 EDADHO Cn1nccc1CN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842636 700938425 /nfs/dbraw/zinc/93/84/25/700938425.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842636 700938427 /nfs/dbraw/zinc/93/84/27/700938427.db2.gz LBPRFWKBSVKBLD-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031925856 701128998 /nfs/dbraw/zinc/12/89/98/701128998.db2.gz QCHCMDAXKCJKRT-BHYGNILZSA-N 1 3 337.508 1.580 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031925856 701129001 /nfs/dbraw/zinc/12/90/01/701129001.db2.gz QCHCMDAXKCJKRT-BHYGNILZSA-N 1 3 337.508 1.580 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2cccnc2)C1 ZINC000999171204 706601021 /nfs/dbraw/zinc/60/10/21/706601021.db2.gz URQFZXULABFZDJ-QZTJIDSGSA-N 1 3 328.460 1.504 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891173 702233690 /nfs/dbraw/zinc/23/36/90/702233690.db2.gz CMLFLLBDEACVOE-SJORKVTESA-N 1 3 330.476 1.748 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520230 702856097 /nfs/dbraw/zinc/85/60/97/702856097.db2.gz OHICZEHDKDHXFO-MRXNPFEDSA-N 1 3 345.491 1.151 20 0 EDADHO CN(C)Cc1ccsc1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996641296 702944625 /nfs/dbraw/zinc/94/46/25/702944625.db2.gz DFTJJKXJFSGTHV-UHFFFAOYSA-N 1 3 349.460 1.587 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CCC1 ZINC000996666489 702963315 /nfs/dbraw/zinc/96/33/15/702963315.db2.gz QPPCKQBLBDOYPL-QAPCUYQASA-N 1 3 335.492 1.478 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)s1 ZINC000996678854 702977566 /nfs/dbraw/zinc/97/75/66/702977566.db2.gz OHOPWRZJNSUKBW-INIZCTEOSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996725131 703019716 /nfs/dbraw/zinc/01/97/16/703019716.db2.gz FBEGVMQWTFNBLL-UHFFFAOYSA-N 1 3 346.475 1.940 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000996966082 703225999 /nfs/dbraw/zinc/22/59/99/703225999.db2.gz PURTZQHPFYZOBK-DLBZAZTESA-N 1 3 339.524 1.968 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997366667 703600364 /nfs/dbraw/zinc/60/03/64/703600364.db2.gz IXHWROKQSLZAMR-SFHVURJKSA-N 1 3 347.507 1.418 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000921584349 703627714 /nfs/dbraw/zinc/62/77/14/703627714.db2.gz UVUXRZOVJXQJEF-IIDMSEBBSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000921584349 703627715 /nfs/dbraw/zinc/62/77/15/703627715.db2.gz UVUXRZOVJXQJEF-IIDMSEBBSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001033093141 704169963 /nfs/dbraw/zinc/16/99/63/704169963.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 1 3 345.487 1.552 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001033093141 704169964 /nfs/dbraw/zinc/16/99/64/704169964.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 1 3 345.487 1.552 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004461238 704455110 /nfs/dbraw/zinc/45/51/10/704455110.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004461238 704455111 /nfs/dbraw/zinc/45/51/11/704455111.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785208 704689366 /nfs/dbraw/zinc/68/93/66/704689366.db2.gz UUFWVKYQJNEFHZ-KRWDZBQOSA-N 1 3 345.491 1.090 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000997830718 704750940 /nfs/dbraw/zinc/75/09/40/704750940.db2.gz MYUULZMDDPHZLL-SFHVURJKSA-N 1 3 348.466 1.889 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1)N(C)C ZINC000997857205 704769777 /nfs/dbraw/zinc/76/97/77/704769777.db2.gz YDKSKZRPPIXDDZ-QGZVFWFLSA-N 1 3 333.480 1.453 20 0 EDADHO O=C(c1ccn2cncc2c1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997889021 704791056 /nfs/dbraw/zinc/79/10/56/704791056.db2.gz QBQKAFMRPCYBNZ-UHFFFAOYSA-N 1 3 340.387 1.359 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029621 704956614 /nfs/dbraw/zinc/95/66/14/704956614.db2.gz UYWXUWDUCISWCU-CRAIPNDOSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029621 704956618 /nfs/dbraw/zinc/95/66/18/704956618.db2.gz UYWXUWDUCISWCU-CRAIPNDOSA-N 1 3 333.476 1.835 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001032587180 705105300 /nfs/dbraw/zinc/10/53/00/705105300.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCCO2)CC[N@H+]1C ZINC001032587180 705105303 /nfs/dbraw/zinc/10/53/03/705105303.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(CNCc2cnns2)CC1)[NH+](C)C ZINC000998047132 705243031 /nfs/dbraw/zinc/24/30/31/705243031.db2.gz OJXAPHRUIHWYBH-OAHLLOKOSA-N 1 3 339.509 1.453 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081615 705303187 /nfs/dbraw/zinc/30/31/87/705303187.db2.gz KQTBJISKEFPXNZ-WMZOPIPTSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080210 705305280 /nfs/dbraw/zinc/30/52/80/705305280.db2.gz YQBRDFZUBXQTDZ-SWLSCSKDSA-N 1 3 337.493 1.064 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2cnns2)CC1 ZINC000998080210 705305282 /nfs/dbraw/zinc/30/52/82/705305282.db2.gz YQBRDFZUBXQTDZ-SWLSCSKDSA-N 1 3 337.493 1.064 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998266751 705635173 /nfs/dbraw/zinc/63/51/73/705635173.db2.gz QJRVGINQGNPQFD-INIZCTEOSA-N 1 3 331.464 1.065 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998266751 705635174 /nfs/dbraw/zinc/63/51/74/705635174.db2.gz QJRVGINQGNPQFD-INIZCTEOSA-N 1 3 331.464 1.065 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998552972 705990638 /nfs/dbraw/zinc/99/06/38/705990638.db2.gz USQDNIRRBCQXNO-MQBCKMQZSA-N 1 3 334.464 1.719 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998780600 706221879 /nfs/dbraw/zinc/22/18/79/706221879.db2.gz RGHKTRSLKWRFGY-JCYILVPMSA-N 1 3 346.475 1.712 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780588 706221993 /nfs/dbraw/zinc/22/19/93/706221993.db2.gz QVUPCVGAQBXNTH-JCYILVPMSA-N 1 3 343.475 1.206 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3n[nH]c(C4CC4)n3)C2)CC[N@@H+]1C ZINC000998792216 706239100 /nfs/dbraw/zinc/23/91/00/706239100.db2.gz VZEHRNOLWORECC-GALLPEHLSA-N 1 3 346.479 1.101 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3n[nH]c(C4CC4)n3)C2)CC[N@H+]1C ZINC000998792216 706239104 /nfs/dbraw/zinc/23/91/04/706239104.db2.gz VZEHRNOLWORECC-GALLPEHLSA-N 1 3 346.479 1.101 20 0 EDADHO COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000998995391 706412535 /nfs/dbraw/zinc/41/25/35/706412535.db2.gz RGNHKJHBNSDLAL-OFLPRAFFSA-N 1 3 346.475 1.654 20 0 EDADHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570476 /nfs/dbraw/zinc/57/04/76/706570476.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 1 3 345.491 1.185 20 0 EDADHO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCCN4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570479 /nfs/dbraw/zinc/57/04/79/706570479.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 1 3 345.491 1.185 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)N1CCCCC1 ZINC000999153676 706583244 /nfs/dbraw/zinc/58/32/44/706583244.db2.gz PMLKQANXMMENFO-MRXNPFEDSA-N 1 3 348.495 1.123 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000999348259 706860112 /nfs/dbraw/zinc/86/01/12/706860112.db2.gz MYBVYNMAFBSCPQ-KRWDZBQOSA-N 1 3 347.507 1.565 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)ccn1 ZINC000999349217 706861450 /nfs/dbraw/zinc/86/14/50/706861450.db2.gz RQKXIWYVNKRDPC-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cn1 ZINC000999405237 706914260 /nfs/dbraw/zinc/91/42/60/706914260.db2.gz DIZDZYCGKKFGME-ZLPCBKJTSA-N 1 3 347.507 1.509 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999469388 706978646 /nfs/dbraw/zinc/97/86/46/706978646.db2.gz LQZJGWWAHDZZRL-BDVYOWHSSA-N 1 3 328.416 1.265 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921685634 707156052 /nfs/dbraw/zinc/15/60/52/707156052.db2.gz JFFXGFQXQZVKAI-CQSZACIVSA-N 1 3 332.448 1.897 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946779792 707246638 /nfs/dbraw/zinc/24/66/38/707246638.db2.gz SXCFQYSMMHNRTE-CADBVGFASA-N 1 3 349.519 1.678 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946779792 707246641 /nfs/dbraw/zinc/24/66/41/707246641.db2.gz SXCFQYSMMHNRTE-CADBVGFASA-N 1 3 349.519 1.678 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999835501 707469115 /nfs/dbraw/zinc/46/91/15/707469115.db2.gz GLPPQGQRCUUXGK-FHERZECASA-N 1 3 332.448 1.121 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999835501 707469120 /nfs/dbraw/zinc/46/91/20/707469120.db2.gz GLPPQGQRCUUXGK-FHERZECASA-N 1 3 332.448 1.121 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876627 707523913 /nfs/dbraw/zinc/52/39/13/707523913.db2.gz PXSIHNFXYCVKPL-DAWZGUTISA-N 1 3 347.507 1.416 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999876775 707524706 /nfs/dbraw/zinc/52/47/06/707524706.db2.gz RYBJRFWJVBJOIY-VJFUWPCTSA-N 1 3 347.507 1.416 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395872 707734119 /nfs/dbraw/zinc/73/41/19/707734119.db2.gz LFYKMJYRKUGNML-SFHVURJKSA-N 1 3 347.507 1.374 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001000200130 707842716 /nfs/dbraw/zinc/84/27/16/707842716.db2.gz PKAAGYGHIXYGBN-IRXDYDNUSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489044 707982854 /nfs/dbraw/zinc/98/28/54/707982854.db2.gz DLFFGADDUCWBEQ-QGZVFWFLSA-N 1 3 333.480 1.557 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001033592891 708292137 /nfs/dbraw/zinc/29/21/37/708292137.db2.gz JAIRJVIOPXJDAM-QGZVFWFLSA-N 1 3 343.471 1.694 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001034339484 709801644 /nfs/dbraw/zinc/80/16/44/709801644.db2.gz GZPBATQIIFUXPJ-IRXDYDNUSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC001034339484 709801648 /nfs/dbraw/zinc/80/16/48/709801648.db2.gz GZPBATQIIFUXPJ-IRXDYDNUSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)CC[N@@H+]1C ZINC001034647530 710324104 /nfs/dbraw/zinc/32/41/04/710324104.db2.gz KEDXNBRJQIGAPX-RGCMKSIDSA-N 1 3 337.493 1.395 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3cnns3)CC2)CC[N@H+]1C ZINC001034647530 710324107 /nfs/dbraw/zinc/32/41/07/710324107.db2.gz KEDXNBRJQIGAPX-RGCMKSIDSA-N 1 3 337.493 1.395 20 0 EDADHO C[C@@H](C(=O)NC1CCN(CCn2cncn2)CC1)[NH+]1CCCCCC1 ZINC001003735943 710517474 /nfs/dbraw/zinc/51/74/74/710517474.db2.gz NSYORIJEKPQQDL-INIZCTEOSA-N 1 3 348.495 1.123 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034738278 710953687 /nfs/dbraw/zinc/95/36/87/710953687.db2.gz SKWVGJACNLQGAW-PWNZVWSESA-N 1 3 337.493 1.253 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034738278 710953690 /nfs/dbraw/zinc/95/36/90/710953690.db2.gz SKWVGJACNLQGAW-PWNZVWSESA-N 1 3 337.493 1.253 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034791637 711117226 /nfs/dbraw/zinc/11/72/26/711117226.db2.gz ORXOWXGZRSFDRP-BZUAXINKSA-N 1 3 333.480 1.372 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034791637 711117227 /nfs/dbraw/zinc/11/72/27/711117227.db2.gz ORXOWXGZRSFDRP-BZUAXINKSA-N 1 3 333.480 1.372 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742719 711365261 /nfs/dbraw/zinc/36/52/61/711365261.db2.gz TZIJICOCXGPZQS-BFHRDPOASA-N 1 3 339.455 1.132 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957432 711429094 /nfs/dbraw/zinc/42/90/94/711429094.db2.gz UNYRUBRSWNSUQM-MRXNPFEDSA-N 1 3 333.480 1.293 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CCN1C ZINC000922500342 711625221 /nfs/dbraw/zinc/62/52/21/711625221.db2.gz AEVDNHONAJVWGG-ZBFHGGJFSA-N 1 3 349.479 1.304 20 0 EDADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000051236019 214084813 /nfs/dbraw/zinc/08/48/13/214084813.db2.gz BKPSZWHUOHSDIA-UHFFFAOYSA-N 1 3 334.468 1.409 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000561193824 306284139 /nfs/dbraw/zinc/28/41/39/306284139.db2.gz KOCMEAYSXLRHRX-KBAYOESNSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000561193824 306284140 /nfs/dbraw/zinc/28/41/40/306284140.db2.gz KOCMEAYSXLRHRX-KBAYOESNSA-N 1 3 346.475 1.185 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000188248212 283061436 /nfs/dbraw/zinc/06/14/36/283061436.db2.gz NEDLBZPWSHPEDJ-RLFYNMQTSA-N 1 3 325.497 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000188248212 283061440 /nfs/dbraw/zinc/06/14/40/283061440.db2.gz NEDLBZPWSHPEDJ-RLFYNMQTSA-N 1 3 325.497 1.709 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)CN3CC(C)(C)C3)CC2)CC1 ZINC000563410335 306332078 /nfs/dbraw/zinc/33/20/78/306332078.db2.gz WJHYQOBCZASMNK-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)CN3CC(C)(C)C3)CC2)CC1 ZINC000563410335 306332079 /nfs/dbraw/zinc/33/20/79/306332079.db2.gz WJHYQOBCZASMNK-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000564326354 306358457 /nfs/dbraw/zinc/35/84/57/306358457.db2.gz LCGZTSMAWZMEKB-KZNAEPCWSA-N 1 3 328.460 1.504 20 0 EDADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000564336424 306359113 /nfs/dbraw/zinc/35/91/13/306359113.db2.gz YMQYGETZLIOUFU-WMLDXEAASA-N 1 3 345.491 1.939 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000564847268 306367070 /nfs/dbraw/zinc/36/70/70/306367070.db2.gz LCWZNTMSPWAXSY-OKYOBFRVSA-N 1 3 341.540 1.701 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000564847268 306367071 /nfs/dbraw/zinc/36/70/71/306367071.db2.gz LCWZNTMSPWAXSY-OKYOBFRVSA-N 1 3 341.540 1.701 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000565193486 306377167 /nfs/dbraw/zinc/37/71/67/306377167.db2.gz AEWHGCVRIBLABL-ROUUACIJSA-N 1 3 337.508 1.602 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000414712859 304131683 /nfs/dbraw/zinc/13/16/83/304131683.db2.gz VKZJEIBKDZSUAN-GJZGRUSLSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713620 304131690 /nfs/dbraw/zinc/13/16/90/304131690.db2.gz VZBZGUZMHHYQBY-CQSZACIVSA-N 1 3 344.459 1.119 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)c1 ZINC000414810234 304143828 /nfs/dbraw/zinc/14/38/28/304143828.db2.gz VBICIGDATKQBKE-NOLJZWGESA-N 1 3 333.432 1.907 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414810234 304143829 /nfs/dbraw/zinc/14/38/29/304143829.db2.gz VBICIGDATKQBKE-NOLJZWGESA-N 1 3 333.432 1.907 20 0 EDADHO COc1ccc(C)cc1CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414997609 304149273 /nfs/dbraw/zinc/14/92/73/304149273.db2.gz ZJIILWDZSGPCIQ-APWZRJJASA-N 1 3 331.460 1.740 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000415139067 304163414 /nfs/dbraw/zinc/16/34/14/304163414.db2.gz HXXIWCBJRPOGEB-DVOMOZLQSA-N 1 3 330.432 1.340 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CSCCN2)CC1 ZINC000236713058 139029341 /nfs/dbraw/zinc/02/93/41/139029341.db2.gz SEKKMJSIDIHOGJ-MRXNPFEDSA-N 1 3 327.538 1.956 20 0 EDADHO CCCC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000236778935 139031113 /nfs/dbraw/zinc/03/11/13/139031113.db2.gz GBOIZOWTGZTESX-LJQANCHMSA-N 1 3 346.519 1.958 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000236906783 139034791 /nfs/dbraw/zinc/03/47/91/139034791.db2.gz MCUXPYRNKBNNHD-SFHVURJKSA-N 1 3 333.476 1.913 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236978563 139036989 /nfs/dbraw/zinc/03/69/89/139036989.db2.gz YHFBXCSBOGSSJW-QGZVFWFLSA-N 1 3 331.460 1.633 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215340 139044677 /nfs/dbraw/zinc/04/46/77/139044677.db2.gz AJVXXFKTLVTFOA-GOSISDBHSA-N 1 3 330.476 1.192 20 0 EDADHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCCN2C)cc1 ZINC000237305156 139047368 /nfs/dbraw/zinc/04/73/68/139047368.db2.gz GHFXQTWIFPDMBI-RYQLBKOJSA-N 1 3 331.460 1.946 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605136 139055385 /nfs/dbraw/zinc/05/53/85/139055385.db2.gz JRKNGZRJVYDUEU-IYBDPMFKSA-N 1 3 337.508 1.724 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819008 220198154 /nfs/dbraw/zinc/19/81/54/220198154.db2.gz BIEWNOXUFNMPKQ-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000111856796 220210376 /nfs/dbraw/zinc/21/03/76/220210376.db2.gz UTFHJPQOJCYHFU-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415289647 304186910 /nfs/dbraw/zinc/18/69/10/304186910.db2.gz AEJOBOSLALFJLJ-OAHLLOKOSA-N 1 3 330.432 1.171 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000246656731 139116581 /nfs/dbraw/zinc/11/65/81/139116581.db2.gz UDQHKTZUWKCKNN-NVXWUHKLSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000246656731 139116582 /nfs/dbraw/zinc/11/65/82/139116582.db2.gz UDQHKTZUWKCKNN-NVXWUHKLSA-N 1 3 328.501 1.253 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246802811 139122212 /nfs/dbraw/zinc/12/22/12/139122212.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246802811 139122213 /nfs/dbraw/zinc/12/22/13/139122213.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 1 3 338.492 1.492 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246884902 139125566 /nfs/dbraw/zinc/12/55/66/139125566.db2.gz GHELCAMLYIRIGX-NPYXIHBLSA-N 1 3 338.496 1.412 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000246884902 139125567 /nfs/dbraw/zinc/12/55/67/139125567.db2.gz GHELCAMLYIRIGX-NPYXIHBLSA-N 1 3 338.496 1.412 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000247505896 139150776 /nfs/dbraw/zinc/15/07/76/139150776.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000247505896 139150777 /nfs/dbraw/zinc/15/07/77/139150777.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CCCN(C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000415397490 304213341 /nfs/dbraw/zinc/21/33/41/304213341.db2.gz VRRNZLFBSNOARX-KRWDZBQOSA-N 1 3 346.475 1.596 20 0 EDADHO Cc1ccc2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)n2c1 ZINC000261602668 139209977 /nfs/dbraw/zinc/20/99/77/139209977.db2.gz BVKJDMHQJGWEPS-KRWDZBQOSA-N 1 3 326.444 1.967 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000261677201 139216678 /nfs/dbraw/zinc/21/66/78/139216678.db2.gz HBIGUWOVMOYHHJ-NSHDSACASA-N 1 3 329.379 1.524 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000261831633 139229955 /nfs/dbraw/zinc/22/99/55/139229955.db2.gz QAMRBLQDVDGYBH-OALUTQOASA-N 1 3 345.487 1.911 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)CNC3)CCCO1 ZINC000416010779 251046024 /nfs/dbraw/zinc/04/60/24/251046024.db2.gz ORDCHMVNVUBMJU-AWEZNQCLSA-N 1 3 332.448 1.912 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)CNC3)CCCO1 ZINC000416010779 251046027 /nfs/dbraw/zinc/04/60/27/251046027.db2.gz ORDCHMVNVUBMJU-AWEZNQCLSA-N 1 3 332.448 1.912 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415572957 304228789 /nfs/dbraw/zinc/22/87/89/304228789.db2.gz VAJSKTBOBAITJB-ZFWWWQNUSA-N 1 3 332.448 1.191 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417175050 251144358 /nfs/dbraw/zinc/14/43/58/251144358.db2.gz ANJPXBRFBSPOPZ-QAPCUYQASA-N 1 3 332.492 1.928 20 0 EDADHO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)N1CCC(Cc2ccccc2)CC1 ZINC000262344893 139271746 /nfs/dbraw/zinc/27/17/46/139271746.db2.gz TZWQNDRVEXTTFI-AYOQOUSVSA-N 1 3 345.487 1.026 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573699 251191907 /nfs/dbraw/zinc/19/19/07/251191907.db2.gz XPIIASUQSRYBMT-YOEHRIQHSA-N 1 3 334.464 1.616 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566771 251190118 /nfs/dbraw/zinc/19/01/18/251190118.db2.gz MZHCIRLFJUSOTD-GJZGRUSLSA-N 1 3 326.485 1.175 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417752078 251255508 /nfs/dbraw/zinc/25/55/08/251255508.db2.gz LVHCHSJCJLGURI-QGZVFWFLSA-N 1 3 334.464 1.141 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417752078 251255513 /nfs/dbraw/zinc/25/55/13/251255513.db2.gz LVHCHSJCJLGURI-QGZVFWFLSA-N 1 3 334.464 1.141 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417825768 251287185 /nfs/dbraw/zinc/28/71/85/251287185.db2.gz NMCWUKIECBIEQT-OLMNPRSZSA-N 1 3 330.476 1.934 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077828 251320292 /nfs/dbraw/zinc/32/02/92/251320292.db2.gz UUPRWVODMCOXBX-IRXDYDNUSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112213 251327155 /nfs/dbraw/zinc/32/71/55/251327155.db2.gz IADUGTFBVKZCPC-HNNXBMFYSA-N 1 3 326.485 1.448 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138613 251341664 /nfs/dbraw/zinc/34/16/64/251341664.db2.gz JJKJTJURKLUGGE-QZTJIDSGSA-N 1 3 330.476 1.934 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152973 251345975 /nfs/dbraw/zinc/34/59/75/251345975.db2.gz UKRMDKZBAIIVGY-ZWKOTPCHSA-N 1 3 346.475 1.266 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418159258 251348497 /nfs/dbraw/zinc/34/84/97/251348497.db2.gz DCRQPRNSVXAGAB-HNNXBMFYSA-N 1 3 334.464 1.696 20 0 EDADHO CN(CCCN(C)C(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccco1 ZINC000418715007 251393970 /nfs/dbraw/zinc/39/39/70/251393970.db2.gz QQSUUYIYFDHLNM-CYBMUJFWSA-N 1 3 332.395 1.725 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418719201 251396460 /nfs/dbraw/zinc/39/64/60/251396460.db2.gz USURHQOVXJWCKO-CQSZACIVSA-N 1 3 346.397 1.881 20 0 EDADHO [NH3+]C1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCC1 ZINC000262636349 139291990 /nfs/dbraw/zinc/29/19/90/139291990.db2.gz HTUCOEYMGMFTGQ-UHFFFAOYSA-N 1 3 331.460 1.531 20 0 EDADHO C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](C)C1 ZINC000262712409 139298158 /nfs/dbraw/zinc/29/81/58/139298158.db2.gz FSTCUJIBWOBABH-PMPSAXMXSA-N 1 3 333.480 1.658 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000415590265 304234314 /nfs/dbraw/zinc/23/43/14/304234314.db2.gz ZXUFYRFPECCMJI-XIRDDKMYSA-N 1 3 344.459 1.273 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)O1 ZINC000423737148 252068272 /nfs/dbraw/zinc/06/82/72/252068272.db2.gz CQXFANMHQGWMRC-MOPGFXCFSA-N 1 3 345.487 1.660 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990776 252021782 /nfs/dbraw/zinc/02/17/82/252021782.db2.gz NYRVRERDLCFERP-XJKSGUPXSA-N 1 3 338.423 1.770 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1C ZINC000424137936 252138469 /nfs/dbraw/zinc/13/84/69/252138469.db2.gz COLMTKYJBJOWPM-SOUVJXGZSA-N 1 3 334.468 1.147 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000424433504 252228908 /nfs/dbraw/zinc/22/89/08/252228908.db2.gz BUINWVHBCUFPAD-HOCLYGCPSA-N 1 3 330.432 1.135 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000424433504 252228912 /nfs/dbraw/zinc/22/89/12/252228912.db2.gz BUINWVHBCUFPAD-HOCLYGCPSA-N 1 3 330.432 1.135 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415618427 304240269 /nfs/dbraw/zinc/24/02/69/304240269.db2.gz RIHZHDYIRQGKQJ-BBRMVZONSA-N 1 3 332.448 1.109 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389514 /nfs/dbraw/zinc/38/95/14/296389514.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 1 3 334.508 1.844 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389515 /nfs/dbraw/zinc/38/95/15/296389515.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 1 3 334.508 1.844 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248796956 285205148 /nfs/dbraw/zinc/20/51/48/285205148.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000248796956 285205150 /nfs/dbraw/zinc/20/51/50/285205150.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049475 285246295 /nfs/dbraw/zinc/24/62/95/285246295.db2.gz WDADPNREBYUBAA-OAHLLOKOSA-N 1 3 334.468 1.665 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049475 285246296 /nfs/dbraw/zinc/24/62/96/285246296.db2.gz WDADPNREBYUBAA-OAHLLOKOSA-N 1 3 334.468 1.665 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cccc(CNC(=O)/C=C/C[NH+](C)C)c1 ZINC000491686056 255141310 /nfs/dbraw/zinc/14/13/10/255141310.db2.gz OUFDESUTUGCSTK-JMQWPVDRSA-N 1 3 344.459 1.477 20 0 EDADHO CN(C)C/C=C/C(=O)NCc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000491686056 255141311 /nfs/dbraw/zinc/14/13/11/255141311.db2.gz OUFDESUTUGCSTK-JMQWPVDRSA-N 1 3 344.459 1.477 20 0 EDADHO CN(C)C/C=C\C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492370582 255173997 /nfs/dbraw/zinc/17/39/97/255173997.db2.gz XXTMRHPHFPEVLS-WAYWQWQTSA-N 1 3 345.487 1.938 20 0 EDADHO C[C@H]([NH2+]C1CCNCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496051899 255346963 /nfs/dbraw/zinc/34/69/63/255346963.db2.gz WEWZBOWXVNRWRD-MAUKXSAKSA-N 1 3 347.459 1.754 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CSC1(C)C ZINC000338807711 285278397 /nfs/dbraw/zinc/27/83/97/285278397.db2.gz BPNLUNBYUSGJEP-LSDHHAIUSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CSC1(C)C ZINC000338807711 285278399 /nfs/dbraw/zinc/27/83/99/285278399.db2.gz BPNLUNBYUSGJEP-LSDHHAIUSA-N 1 3 342.553 1.938 20 0 EDADHO CC1CCN(CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000263905983 139368820 /nfs/dbraw/zinc/36/88/20/139368820.db2.gz RUSSVZGBYHPEJH-UHFFFAOYSA-N 1 3 329.444 1.994 20 0 EDADHO COC(=O)c1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cn1C ZINC000331657191 141063251 /nfs/dbraw/zinc/06/32/51/141063251.db2.gz MHOBKUCJSUSTEP-RDJZCZTQSA-N 1 3 335.448 1.279 20 0 EDADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333090347 141262068 /nfs/dbraw/zinc/26/20/68/141262068.db2.gz AVTHWSNXGLQMBZ-UHFFFAOYSA-N 1 3 345.491 1.963 20 0 EDADHO Cn1nnc2cc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc21 ZINC000333180534 141276733 /nfs/dbraw/zinc/27/67/33/141276733.db2.gz RULKLTNOBFEXMA-CRAIPNDOSA-N 1 3 329.448 1.687 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCN1C ZINC000333387123 141309996 /nfs/dbraw/zinc/30/99/96/141309996.db2.gz WXYUTMXNRVTANK-IVMMDQJWSA-N 1 3 331.464 1.844 20 0 EDADHO C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701020 141361285 /nfs/dbraw/zinc/36/12/85/141361285.db2.gz QUYTXKNXMLGDET-PMPSAXMXSA-N 1 3 338.496 1.269 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345859656 143140455 /nfs/dbraw/zinc/14/04/55/143140455.db2.gz DNQKYAZUSSGHJL-JKSUJKDBSA-N 1 3 326.485 1.220 20 0 EDADHO CCN1CCN(c2ccccc2CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000346816269 143248371 /nfs/dbraw/zinc/24/83/71/143248371.db2.gz CZZDNNUIRGSMDT-QXAKKESOSA-N 1 3 328.504 1.998 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C(=O)NCCN(C)C)C1(C)C ZINC000347176533 143291275 /nfs/dbraw/zinc/29/12/75/143291275.db2.gz WHINKTAWIVAVPN-OWCLPIDISA-N 1 3 327.513 1.872 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000416841489 304350716 /nfs/dbraw/zinc/35/07/16/304350716.db2.gz MBJPCECDDABSLP-RYQLBKOJSA-N 1 3 332.492 1.928 20 0 EDADHO CC[N@H+](CCNC(=O)NC(C)(C)CCN1CCN(C)CC1)C(C)C ZINC000353097786 149284478 /nfs/dbraw/zinc/28/44/78/149284478.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO CC[N@@H+](CCNC(=O)NC(C)(C)CCN1CCN(C)CC1)C(C)C ZINC000353097786 149284480 /nfs/dbraw/zinc/28/44/80/149284480.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416970728 304357454 /nfs/dbraw/zinc/35/74/54/304357454.db2.gz NZOFPCISHZYUTK-SJORKVTESA-N 1 3 346.475 1.663 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416972721 304358291 /nfs/dbraw/zinc/35/82/91/304358291.db2.gz SQWNFZYXLARARO-KRWDZBQOSA-N 1 3 348.491 1.958 20 0 EDADHO C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCCOC1 ZINC000355039596 150087560 /nfs/dbraw/zinc/08/75/60/150087560.db2.gz AYVXUSYJNJXSMV-SZMVWBNQSA-N 1 3 333.476 1.810 20 0 EDADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[NH2+]1 ZINC000357384486 151014535 /nfs/dbraw/zinc/01/45/35/151014535.db2.gz VWLBKTNOOGBUHU-AWEZNQCLSA-N 1 3 329.366 1.958 20 0 EDADHO CSC1(CNC(=O)NCCN2CCC(C)CC2)CC[NH+](C)CC1 ZINC000357608504 151083700 /nfs/dbraw/zinc/08/37/00/151083700.db2.gz MSQPQPYVGGVPLA-UHFFFAOYSA-N 1 3 342.553 1.845 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873531 151180077 /nfs/dbraw/zinc/18/00/77/151180077.db2.gz VAMMACGXDOZSPF-ZFWWWQNUSA-N 1 3 340.537 1.596 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085478 151265253 /nfs/dbraw/zinc/26/52/53/151265253.db2.gz MXEXRJFWFVAQJM-XJKCOSOUSA-N 1 3 325.478 1.876 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000358288485 151327682 /nfs/dbraw/zinc/32/76/82/151327682.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000358288485 151327684 /nfs/dbraw/zinc/32/76/84/151327684.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CCN1 ZINC000417085197 304371740 /nfs/dbraw/zinc/37/17/40/304371740.db2.gz BQZXHYNYGSTJSQ-HNNXBMFYSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CCN1 ZINC000417085197 304371741 /nfs/dbraw/zinc/37/17/41/304371741.db2.gz BQZXHYNYGSTJSQ-HNNXBMFYSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)C[C@H]1[NH+](C)C ZINC000359735031 151803720 /nfs/dbraw/zinc/80/37/20/151803720.db2.gz ZXTGVJMRRKIRAP-GDBMZVCRSA-N 1 3 349.479 1.114 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670661 152146510 /nfs/dbraw/zinc/14/65/10/152146510.db2.gz YLMAOGXBNQYCLE-WMLDXEAASA-N 1 3 340.537 1.740 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670661 152146512 /nfs/dbraw/zinc/14/65/12/152146512.db2.gz YLMAOGXBNQYCLE-WMLDXEAASA-N 1 3 340.537 1.740 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000360678075 152149685 /nfs/dbraw/zinc/14/96/85/152149685.db2.gz BUPBXLJRVXAIJT-MOPGFXCFSA-N 1 3 343.471 1.211 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000363984873 153114866 /nfs/dbraw/zinc/11/48/66/153114866.db2.gz VJHLSZDDIDLKHF-INIZCTEOSA-N 1 3 325.416 1.706 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364302739 153200926 /nfs/dbraw/zinc/20/09/26/153200926.db2.gz KQNIUOBNYFBFSF-OKZBNKHCSA-N 1 3 327.403 1.649 20 0 EDADHO COc1ccnc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1OC ZINC000364537147 153263406 /nfs/dbraw/zinc/26/34/06/153263406.db2.gz NZKYROAAPRPDHG-INIZCTEOSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072470 154000713 /nfs/dbraw/zinc/00/07/13/154000713.db2.gz GLTYHLRHWNLWCZ-LTIDMASMSA-N 1 3 335.492 1.382 20 0 EDADHO N[C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000367181066 154031980 /nfs/dbraw/zinc/03/19/80/154031980.db2.gz WRPGEBWUUITNQO-GOSISDBHSA-N 1 3 337.508 1.901 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723928 286415085 /nfs/dbraw/zinc/41/50/85/286415085.db2.gz DPHNXADYWUUESM-APWZRJJASA-N 1 3 337.508 1.853 20 0 EDADHO CC(C)[NH+]1CCN([C@H]2CCN(Cc3cccc4nccn43)C2)CC1 ZINC000367746215 154253070 /nfs/dbraw/zinc/25/30/70/154253070.db2.gz FKWGAWQTENPWNC-KRWDZBQOSA-N 1 3 327.476 1.935 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)CC1 ZINC000574634960 306654455 /nfs/dbraw/zinc/65/44/55/306654455.db2.gz HQGFRDRTCMQKCM-ZIFCJYIRSA-N 1 3 336.524 1.521 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000417547246 304404795 /nfs/dbraw/zinc/40/47/95/304404795.db2.gz ODQYGULLHVFKFY-ZDUSSCGKSA-N 1 3 348.438 1.172 20 0 EDADHO CCN1CCN(CCC(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374151128 157167875 /nfs/dbraw/zinc/16/78/75/157167875.db2.gz KUOWHXLHCSVAHH-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)n(C2CCN(C)CC2)n1 ZINC000575774590 306671707 /nfs/dbraw/zinc/67/17/07/306671707.db2.gz HBQLKIGFOGESMY-AWEZNQCLSA-N 1 3 334.468 1.720 20 0 EDADHO CCCCOC[C@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138300 162369843 /nfs/dbraw/zinc/36/98/43/162369843.db2.gz GPZIJXAUTSIRGZ-SJLPKXTDSA-N 1 3 327.513 1.264 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N(C)C ZINC000418257524 304470984 /nfs/dbraw/zinc/47/09/84/304470984.db2.gz NCPIKTOAFLXDKC-DETPVDSQSA-N 1 3 340.418 1.660 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000111454762 287337262 /nfs/dbraw/zinc/33/72/62/287337262.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000111454762 287337263 /nfs/dbraw/zinc/33/72/63/287337263.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418340726 304483024 /nfs/dbraw/zinc/48/30/24/304483024.db2.gz OADYVQVOEMBCFW-KRWDZBQOSA-N 1 3 333.480 1.687 20 0 EDADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000168096810 226208586 /nfs/dbraw/zinc/20/85/86/226208586.db2.gz OCVUJKYLVUXFPS-ROUUACIJSA-N 1 3 331.460 1.300 20 0 EDADHO CC[NH+](CC)CC(=O)N1CCN(CCCCn2ccnc2C)CC1 ZINC000125505706 287407829 /nfs/dbraw/zinc/40/78/29/287407829.db2.gz PRXOEAUPEVIFHJ-UHFFFAOYSA-N 1 3 335.496 1.458 20 0 EDADHO CCc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130521555 287494637 /nfs/dbraw/zinc/49/46/37/287494637.db2.gz MWNBCSQABNGNGV-UHFFFAOYSA-N 1 3 334.464 1.139 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccncc1Br ZINC000152682378 287615144 /nfs/dbraw/zinc/61/51/44/287615144.db2.gz RNMGYIZOZYRMHR-UHFFFAOYSA-N 1 3 343.269 1.410 20 0 EDADHO C[NH2+]C1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000237109009 273007806 /nfs/dbraw/zinc/00/78/06/273007806.db2.gz OWDOJUYKAKQJHI-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000237986353 267934399 /nfs/dbraw/zinc/93/43/99/267934399.db2.gz DYINLLNNGDMYCJ-SFHVURJKSA-N 1 3 344.503 1.705 20 0 EDADHO CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274833934 268217377 /nfs/dbraw/zinc/21/73/77/268217377.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 1 3 330.476 1.997 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274833934 268217379 /nfs/dbraw/zinc/21/73/79/268217379.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 1 3 330.476 1.997 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000652484064 452679835 /nfs/dbraw/zinc/67/98/35/452679835.db2.gz AYMYNYHKLFDENK-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000652484064 452679848 /nfs/dbraw/zinc/67/98/48/452679848.db2.gz AYMYNYHKLFDENK-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418640450 276107245 /nfs/dbraw/zinc/10/72/45/276107245.db2.gz MTNZOJZLQXRXQS-IRXDYDNUSA-N 1 3 330.476 1.951 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1 ZINC000338593591 276853197 /nfs/dbraw/zinc/85/31/97/276853197.db2.gz TXQWSZGZRVSQSP-HZPDHXFCSA-N 1 3 346.475 1.052 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000341192898 278200815 /nfs/dbraw/zinc/20/08/15/278200815.db2.gz QGWLVIAZTWCGFU-SFHVURJKSA-N 1 3 349.475 1.658 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417317101 278856196 /nfs/dbraw/zinc/85/61/96/278856196.db2.gz VNYCGIMCMKYYNZ-PKOBYXMFSA-N 1 3 330.476 1.993 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000415486455 279138118 /nfs/dbraw/zinc/13/81/18/279138118.db2.gz FKEHWWJXPFHNTC-KRWDZBQOSA-N 1 3 346.475 1.677 20 0 EDADHO CC[N@H+](CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)C ZINC000341099074 279192910 /nfs/dbraw/zinc/19/29/10/279192910.db2.gz YQNMTCGVIRIVNP-INIZCTEOSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)C ZINC000341099074 279192913 /nfs/dbraw/zinc/19/29/13/279192913.db2.gz YQNMTCGVIRIVNP-INIZCTEOSA-N 1 3 328.501 1.469 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000287102877 288156340 /nfs/dbraw/zinc/15/63/40/288156340.db2.gz DTTZJZROYHTDHE-YOEHRIQHSA-N 1 3 336.480 1.937 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110743 288162629 /nfs/dbraw/zinc/16/26/29/288162629.db2.gz FVWIIURUOLIBGE-OAHLLOKOSA-N 1 3 346.475 1.590 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287384391 288225432 /nfs/dbraw/zinc/22/54/32/288225432.db2.gz LMDDSKCALSVYCA-OAHLLOKOSA-N 1 3 341.887 1.411 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287384391 288225433 /nfs/dbraw/zinc/22/54/33/288225433.db2.gz LMDDSKCALSVYCA-OAHLLOKOSA-N 1 3 341.887 1.411 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360748574 288302050 /nfs/dbraw/zinc/30/20/50/288302050.db2.gz WZGQYPLGMXPOOV-FMKPAKJESA-N 1 3 326.510 1.302 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360748574 288302052 /nfs/dbraw/zinc/30/20/52/288302052.db2.gz WZGQYPLGMXPOOV-FMKPAKJESA-N 1 3 326.510 1.302 20 0 EDADHO C[NH+](C)C1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000363230784 282050226 /nfs/dbraw/zinc/05/02/26/282050226.db2.gz LVJLMFAPBJAZGN-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000290227258 288861757 /nfs/dbraw/zinc/86/17/57/288861757.db2.gz RKQVEAUDEAPTKV-RBUKOAKNSA-N 1 3 347.503 1.920 20 0 EDADHO COCC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC[NH2+]C1 ZINC000378206509 292725913 /nfs/dbraw/zinc/72/59/13/292725913.db2.gz CQCBLOODILFAHP-PKOBYXMFSA-N 1 3 333.476 1.730 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819945 289353470 /nfs/dbraw/zinc/35/34/70/289353470.db2.gz KFPZBSHSWMIZFC-GUDVDZBRSA-N 1 3 344.503 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819945 289353471 /nfs/dbraw/zinc/35/34/71/289353471.db2.gz KFPZBSHSWMIZFC-GUDVDZBRSA-N 1 3 344.503 1.432 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000356246281 290083623 /nfs/dbraw/zinc/08/36/23/290083623.db2.gz SNJCGKWUDXQSEL-JYJNAYRXSA-N 1 3 325.497 1.410 20 0 EDADHO [NH3+]CCCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000359275079 295229126 /nfs/dbraw/zinc/22/91/26/295229126.db2.gz BSOULHKUEJOSCX-UHFFFAOYSA-N 1 3 344.503 1.580 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418521147 304507873 /nfs/dbraw/zinc/50/78/73/304507873.db2.gz HZKSSGXWWJLOIS-LBPRGKRZSA-N 1 3 328.407 1.775 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418603232 304517484 /nfs/dbraw/zinc/51/74/84/304517484.db2.gz WJYCNPPQZUPYDE-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419097257 304564082 /nfs/dbraw/zinc/56/40/82/304564082.db2.gz DMCZABNPOQSISF-BZUAXINKSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419644499 304649312 /nfs/dbraw/zinc/64/93/12/304649312.db2.gz HJLUKJQSLYFGLZ-HOCLYGCPSA-N 1 3 346.475 1.182 20 0 EDADHO CN(C)C(=O)CN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000294341958 303094566 /nfs/dbraw/zinc/09/45/66/303094566.db2.gz YMDXLSHABCCJOA-UHFFFAOYSA-N 1 3 345.491 1.193 20 0 EDADHO CCOC(=O)c1cc(C[NH2+]CCCN2CCN(CC)CC2)[nH]c1C ZINC000294977857 303159051 /nfs/dbraw/zinc/15/90/51/303159051.db2.gz FZQMHHQQKVRAFJ-UHFFFAOYSA-N 1 3 336.480 1.617 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC1CC[NH2+]CC1 ZINC000297294055 303382398 /nfs/dbraw/zinc/38/23/98/303382398.db2.gz VCVRGVKYKKNPID-UHFFFAOYSA-N 1 3 330.476 1.315 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)C(C)C ZINC000419665476 447332121 /nfs/dbraw/zinc/33/21/21/447332121.db2.gz OPBCCVQVBOGKLR-HOTGVXAUSA-N 1 3 340.512 1.197 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000390549803 303849640 /nfs/dbraw/zinc/84/96/40/303849640.db2.gz JQQSPLRGAPFUJZ-UXHICEINSA-N 1 3 330.520 1.911 20 0 EDADHO COCCN1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423336602 304893238 /nfs/dbraw/zinc/89/32/38/304893238.db2.gz QNHFNHBRDSXMDX-WOJBJXKFSA-N 1 3 347.503 1.841 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CCN(C4CC4)C3)ccc21 ZINC000431040030 305073507 /nfs/dbraw/zinc/07/35/07/305073507.db2.gz UXMWBHHYMJGULE-INIZCTEOSA-N 1 3 326.444 1.957 20 0 EDADHO Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000431141875 305075796 /nfs/dbraw/zinc/07/57/96/305075796.db2.gz YIIFPTZBKKBEHM-CYBMUJFWSA-N 1 3 336.484 1.920 20 0 EDADHO COc1cc(NC(C)=O)ccc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000438990260 305192582 /nfs/dbraw/zinc/19/25/82/305192582.db2.gz XSSPBGRXZOLICH-ZDUSSCGKSA-N 1 3 335.448 1.761 20 0 EDADHO O=C(NCCCNCc1cccnc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449071321 305305658 /nfs/dbraw/zinc/30/56/58/305305658.db2.gz AWZCAXMEEWFQNC-HXUWFJFHSA-N 1 3 338.455 1.609 20 0 EDADHO C[C@@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@H](C)[NH3+] ZINC000493810464 305627830 /nfs/dbraw/zinc/62/78/30/305627830.db2.gz AFBTYMHLLIGJNN-PMPSAXMXSA-N 1 3 333.476 1.986 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H](c1ccccc1)N(C)C ZINC000516857097 305742833 /nfs/dbraw/zinc/74/28/33/305742833.db2.gz QWLCZGLFLWUVCR-BHYGNILZSA-N 1 3 334.464 1.356 20 0 EDADHO CC(C)C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000538644127 306031128 /nfs/dbraw/zinc/03/11/28/306031128.db2.gz RPHSFZWKRZOMCI-IAGOWNOFSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cn2ccccc2n1 ZINC000551266751 306156897 /nfs/dbraw/zinc/15/68/97/306156897.db2.gz DQLBFVRINIPSRN-KRWDZBQOSA-N 1 3 345.491 1.375 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000551951669 306170522 /nfs/dbraw/zinc/17/05/22/306170522.db2.gz HJZOACFQVZQCAP-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000551951669 306170523 /nfs/dbraw/zinc/17/05/23/306170523.db2.gz HJZOACFQVZQCAP-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO C[N@@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000556172395 306208768 /nfs/dbraw/zinc/20/87/68/306208768.db2.gz XEGHVHQITBDGJI-RDJZCZTQSA-N 1 3 327.432 1.565 20 0 EDADHO C[N@H+]1CC[C@H](NCCNC(=O)c2ccn[nH]2)C[C@H]1c1ccccc1 ZINC000556172395 306208769 /nfs/dbraw/zinc/20/87/69/306208769.db2.gz XEGHVHQITBDGJI-RDJZCZTQSA-N 1 3 327.432 1.565 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000377908454 447387840 /nfs/dbraw/zinc/38/78/40/447387840.db2.gz TWKIFLFGJXRMHN-BRWVUGGUSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000377908454 447387845 /nfs/dbraw/zinc/38/78/45/447387845.db2.gz TWKIFLFGJXRMHN-BRWVUGGUSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000377908464 447388290 /nfs/dbraw/zinc/38/82/90/447388290.db2.gz TWKIFLFGJXRMHN-IXDOHACOSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000377908464 447388292 /nfs/dbraw/zinc/38/82/92/447388292.db2.gz TWKIFLFGJXRMHN-IXDOHACOSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000377908458 447388404 /nfs/dbraw/zinc/38/84/04/447388404.db2.gz TWKIFLFGJXRMHN-IKGGRYGDSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000377908458 447388411 /nfs/dbraw/zinc/38/84/11/447388411.db2.gz TWKIFLFGJXRMHN-IKGGRYGDSA-N 1 3 335.492 1.620 20 0 EDADHO CN(CCOc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000071150520 441141323 /nfs/dbraw/zinc/14/13/23/441141323.db2.gz FYDJCVMYQSGNLT-UHFFFAOYSA-N 1 3 342.281 1.665 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000072812449 441261628 /nfs/dbraw/zinc/26/16/28/441261628.db2.gz RWUGSZDUUNDMIF-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nccs1 ZINC000073757459 441350863 /nfs/dbraw/zinc/35/08/63/441350863.db2.gz NQSWQAQRJXKSBW-CQSZACIVSA-N 1 3 339.509 1.701 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1nccs1 ZINC000073757459 441350867 /nfs/dbraw/zinc/35/08/67/441350867.db2.gz NQSWQAQRJXKSBW-CQSZACIVSA-N 1 3 339.509 1.701 20 0 EDADHO CCC[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)N(C)C ZINC000089344252 441538843 /nfs/dbraw/zinc/53/88/43/441538843.db2.gz HUECIFKMUODGER-QGZVFWFLSA-N 1 3 339.524 1.993 20 0 EDADHO C[C@@H](O)[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597978 /nfs/dbraw/zinc/59/79/78/441597978.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H](O)[C@H]1CCCN(CCOCC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597979 /nfs/dbraw/zinc/59/79/79/441597979.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H](O)[C@H]1CCC[N@@H+](CCOCCN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597981 /nfs/dbraw/zinc/59/79/81/441597981.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H](O)[C@H]1CCC[N@H+](CCOCCN2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597982 /nfs/dbraw/zinc/59/79/82/441597982.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 1 3 328.497 1.189 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)s1 ZINC000090582413 441636932 /nfs/dbraw/zinc/63/69/32/441636932.db2.gz SPKCGVHEKPPAIU-OUCADQQQSA-N 1 3 345.534 1.653 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000137515321 441773097 /nfs/dbraw/zinc/77/30/97/441773097.db2.gz CYGYNNNWYWKOMJ-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000137515321 441773100 /nfs/dbraw/zinc/77/31/00/441773100.db2.gz CYGYNNNWYWKOMJ-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000174349157 441915078 /nfs/dbraw/zinc/91/50/78/441915078.db2.gz FCKMHJNPGIVCJH-UHFFFAOYSA-N 1 3 332.492 1.458 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000174359314 441916483 /nfs/dbraw/zinc/91/64/83/441916483.db2.gz MSWIKSUJVVEFTB-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H](C(=O)Nc1nccs1)N(C)CCCN1CCN(C)CC1 ZINC000174721929 441959797 /nfs/dbraw/zinc/95/97/97/441959797.db2.gz CMKAESUEQAUMEI-ZDUSSCGKSA-N 1 3 325.482 1.039 20 0 EDADHO Cc1noc(C)c1[C@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000151518042 442076121 /nfs/dbraw/zinc/07/61/21/442076121.db2.gz IRUKUJGELCUCHG-CYBMUJFWSA-N 1 3 339.484 1.530 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000162326227 442083405 /nfs/dbraw/zinc/08/34/05/442083405.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000162326227 442083408 /nfs/dbraw/zinc/08/34/08/442083408.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 1 3 340.512 1.205 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127472077 442205345 /nfs/dbraw/zinc/20/53/45/442205345.db2.gz FKZIZQXXKWTYLQ-GUDVDZBRSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127472077 442205349 /nfs/dbraw/zinc/20/53/49/442205349.db2.gz FKZIZQXXKWTYLQ-GUDVDZBRSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC[C@@H](C)N2CCN(C)CC2)[C@H](C)C1 ZINC000127472077 442205352 /nfs/dbraw/zinc/20/53/52/442205352.db2.gz FKZIZQXXKWTYLQ-GUDVDZBRSA-N 1 3 340.556 1.349 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164728737 442201878 /nfs/dbraw/zinc/20/18/78/442201878.db2.gz KEKZLZOBVJQKIE-GOSISDBHSA-N 1 3 331.460 1.667 20 0 EDADHO COCCN(C)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171193115 442325693 /nfs/dbraw/zinc/32/56/93/442325693.db2.gz COLVBLBJQFPHDG-UHFFFAOYSA-N 1 3 348.491 1.660 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155167006 442379444 /nfs/dbraw/zinc/37/94/44/442379444.db2.gz BNCOVOOYKIWLPJ-PXNSSMCTSA-N 1 3 347.503 1.827 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000155167006 442379446 /nfs/dbraw/zinc/37/94/46/442379446.db2.gz BNCOVOOYKIWLPJ-PXNSSMCTSA-N 1 3 347.503 1.827 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000131842115 442380943 /nfs/dbraw/zinc/38/09/43/442380943.db2.gz VJJDCHAAVSIQKE-UHFFFAOYSA-N 1 3 349.435 1.089 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873732 442510434 /nfs/dbraw/zinc/51/04/34/442510434.db2.gz AIPDANHKXGARCA-SFHVURJKSA-N 1 3 330.476 1.905 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000178832703 442498729 /nfs/dbraw/zinc/49/87/29/442498729.db2.gz RVEKOBKDPKJADA-KRWDZBQOSA-N 1 3 331.460 1.402 20 0 EDADHO COCCOC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192742288 442682678 /nfs/dbraw/zinc/68/26/78/442682678.db2.gz XJXPXXZRUJNFRD-UHFFFAOYSA-N 1 3 327.513 1.530 20 0 EDADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000265437392 442772551 /nfs/dbraw/zinc/77/25/51/442772551.db2.gz XPTRZGYTRJMVLU-GOSISDBHSA-N 1 3 346.519 1.651 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000268204711 442899122 /nfs/dbraw/zinc/89/91/22/442899122.db2.gz RWJFJIWGTZTBON-CXAGYDPISA-N 1 3 344.459 1.286 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616074 442908257 /nfs/dbraw/zinc/90/82/57/442908257.db2.gz YYGPGKRGRGNUJN-OGWHTMIXSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616074 442908261 /nfs/dbraw/zinc/90/82/61/442908261.db2.gz YYGPGKRGRGNUJN-OGWHTMIXSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248616074 442908263 /nfs/dbraw/zinc/90/82/63/442908263.db2.gz YYGPGKRGRGNUJN-OGWHTMIXSA-N 1 3 340.508 1.786 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000195039253 442978485 /nfs/dbraw/zinc/97/84/85/442978485.db2.gz LKGGYUBYFKTQAV-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000195039253 442978488 /nfs/dbraw/zinc/97/84/88/442978488.db2.gz LKGGYUBYFKTQAV-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CCN1CC[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000268801636 443113009 /nfs/dbraw/zinc/11/30/09/443113009.db2.gz JLYWPIYPBVOCKQ-AZUAARDMSA-N 1 3 345.535 1.914 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185329076 443183376 /nfs/dbraw/zinc/18/33/76/443183376.db2.gz TZVHNTROSLGHNO-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185329076 443183378 /nfs/dbraw/zinc/18/33/78/443183378.db2.gz TZVHNTROSLGHNO-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO O=C(CNC[C@H]1CCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237923180 443188545 /nfs/dbraw/zinc/18/85/45/443188545.db2.gz XKPNWLZMVGJVNO-GOSISDBHSA-N 1 3 337.508 1.870 20 0 EDADHO O=C(CNC[C@H]1CCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000237923180 443188550 /nfs/dbraw/zinc/18/85/50/443188550.db2.gz XKPNWLZMVGJVNO-GOSISDBHSA-N 1 3 337.508 1.870 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235358 443244504 /nfs/dbraw/zinc/24/45/04/443244504.db2.gz GHTCZVWUPTUAJR-QZTJIDSGSA-N 1 3 331.460 1.046 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235358 443244506 /nfs/dbraw/zinc/24/45/06/443244506.db2.gz GHTCZVWUPTUAJR-QZTJIDSGSA-N 1 3 331.460 1.046 20 0 EDADHO C[C@H](NC[C@H](O)COC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726321 443245324 /nfs/dbraw/zinc/24/53/24/443245324.db2.gz ZZFRILUEBGAUMQ-JZXOWHBKSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@H](O)COC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185726321 443245327 /nfs/dbraw/zinc/24/53/27/443245327.db2.gz ZZFRILUEBGAUMQ-JZXOWHBKSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185726321 443245332 /nfs/dbraw/zinc/24/53/32/443245332.db2.gz ZZFRILUEBGAUMQ-JZXOWHBKSA-N 1 3 340.508 1.786 20 0 EDADHO CCOC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](CC)CC1 ZINC000411780995 319202781 /nfs/dbraw/zinc/20/27/81/319202781.db2.gz BDAGMGSZRCGQTG-CVEARBPZSA-N 1 3 339.480 1.298 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266817965 443254868 /nfs/dbraw/zinc/25/48/68/443254868.db2.gz XFJKXTXJLSMAJY-QGZVFWFLSA-N 1 3 330.476 1.479 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cncc(F)c1 ZINC000414205833 319319531 /nfs/dbraw/zinc/31/95/31/319319531.db2.gz XSWGAXFTNBPRIF-OAHLLOKOSA-N 1 3 336.455 1.668 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000414682721 319341722 /nfs/dbraw/zinc/34/17/22/319341722.db2.gz AIANMPIQZVWCFD-OALUTQOASA-N 1 3 345.487 1.865 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000414682721 319341725 /nfs/dbraw/zinc/34/17/25/319341725.db2.gz AIANMPIQZVWCFD-OALUTQOASA-N 1 3 345.487 1.865 20 0 EDADHO c1nc(N2CCOCC2)sc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776334 319343810 /nfs/dbraw/zinc/34/38/10/319343810.db2.gz HBHKIVWIBUHVKN-GJZGRUSLSA-N 1 3 336.505 1.801 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCCCC[NH+](C)C)CC2)c1 ZINC000266827453 443258686 /nfs/dbraw/zinc/25/86/86/443258686.db2.gz KBXNJILGCNSGGW-UHFFFAOYSA-N 1 3 346.519 1.965 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415212261 319351705 /nfs/dbraw/zinc/35/17/05/319351705.db2.gz CCXZAGADSVBHJI-SUMWQHHRSA-N 1 3 342.443 1.314 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415686719 319363985 /nfs/dbraw/zinc/36/39/85/319363985.db2.gz IWMNZYXLZGWDQS-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO [NH3+]CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415996183 319388182 /nfs/dbraw/zinc/38/81/82/319388182.db2.gz OMPVPDUECBEMEB-KGLIPLIRSA-N 1 3 344.381 1.840 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416810364 319462229 /nfs/dbraw/zinc/46/22/29/319462229.db2.gz BQGMIKULKQZSSC-RDJZCZTQSA-N 1 3 334.464 1.869 20 0 EDADHO CN1CCC(O)(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000267008822 443312891 /nfs/dbraw/zinc/31/28/91/443312891.db2.gz BBMWXSLWRNNVJG-UHFFFAOYSA-N 1 3 331.460 1.469 20 0 EDADHO CCC[NH2+]CCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417104049 319486019 /nfs/dbraw/zinc/48/60/19/319486019.db2.gz DVDQURHHJFCRGA-UHFFFAOYSA-N 1 3 328.526 1.647 20 0 EDADHO CN(CCO)C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282992719 443490038 /nfs/dbraw/zinc/49/00/38/443490038.db2.gz FBMMQONAZWZOCA-KRWDZBQOSA-N 1 3 345.487 1.537 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423053507 319750254 /nfs/dbraw/zinc/75/02/54/319750254.db2.gz SQXGGTACIMBISJ-RDJZCZTQSA-N 1 3 337.489 1.834 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(COC)CC[NH2+]C2)N(C)C)cc1 ZINC000423307444 319762773 /nfs/dbraw/zinc/76/27/73/319762773.db2.gz NEHSGTAUCMMPJK-MJGOQNOKSA-N 1 3 333.476 1.594 20 0 EDADHO CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1C ZINC000438078366 320032736 /nfs/dbraw/zinc/03/27/36/320032736.db2.gz NGPYCTAUAHAHBM-OAHLLOKOSA-N 1 3 334.464 1.637 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000440225298 320065380 /nfs/dbraw/zinc/06/53/80/320065380.db2.gz IOVHFSWAKJYNCS-DLBZAZTESA-N 1 3 340.512 1.346 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000440634154 320076061 /nfs/dbraw/zinc/07/60/61/320076061.db2.gz CIHSTYSFVIAICA-IAGOWNOFSA-N 1 3 327.513 1.970 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000444260861 320123365 /nfs/dbraw/zinc/12/33/65/320123365.db2.gz UWICBDKUUKQRAK-GOSISDBHSA-N 1 3 344.503 1.765 20 0 EDADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000449728005 320202344 /nfs/dbraw/zinc/20/23/44/320202344.db2.gz SPIYHHQDKPFAJO-SJORKVTESA-N 1 3 330.476 1.442 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453043392 320260853 /nfs/dbraw/zinc/26/08/53/320260853.db2.gz XAEGMVMMCZDTLI-PKOBYXMFSA-N 1 3 342.487 1.605 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453043392 320260854 /nfs/dbraw/zinc/26/08/54/320260854.db2.gz XAEGMVMMCZDTLI-PKOBYXMFSA-N 1 3 342.487 1.605 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453638874 320265410 /nfs/dbraw/zinc/26/54/10/320265410.db2.gz DMYIVBWIZXOYHO-QGZVFWFLSA-N 1 3 346.475 1.632 20 0 EDADHO CN(C)CCN1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000497128465 320419449 /nfs/dbraw/zinc/41/94/49/320419449.db2.gz KCITYAPDUGCCFY-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO O=C1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCCCN12 ZINC000515346054 320432737 /nfs/dbraw/zinc/43/27/37/320432737.db2.gz KEXBDXTYFLZWGS-CLWJZODNSA-N 1 3 341.455 1.985 20 0 EDADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+](CCOC)C3)c2)CC1 ZINC000276436214 443704678 /nfs/dbraw/zinc/70/46/78/443704678.db2.gz QSJOVQQOKYDFEK-GOSISDBHSA-N 1 3 332.492 1.961 20 0 EDADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+](CCOC)C3)c2)CC1 ZINC000276436214 443704679 /nfs/dbraw/zinc/70/46/79/443704679.db2.gz QSJOVQQOKYDFEK-GOSISDBHSA-N 1 3 332.492 1.961 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1 ZINC000276449665 443709522 /nfs/dbraw/zinc/70/95/22/443709522.db2.gz WFUQOTAOMYOUKT-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO COC(=O)c1cc(CN(C)CCCN(C)CC[NH+](C)C)n(C)c1C ZINC000291065920 443743975 /nfs/dbraw/zinc/74/39/75/443743975.db2.gz QGJVIQHQYGVWFO-UHFFFAOYSA-N 1 3 338.496 1.435 20 0 EDADHO C[C@H](NCC1(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000280979955 443789290 /nfs/dbraw/zinc/78/92/90/443789290.db2.gz LYLLCFDRUKDLKM-AWEZNQCLSA-N 1 3 340.489 1.855 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527756926 320523824 /nfs/dbraw/zinc/52/38/24/320523824.db2.gz GVCLTORYBWXOHJ-WOJBJXKFSA-N 1 3 347.503 1.848 20 0 EDADHO CN(C)CCN(C)CCC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000298407121 443763137 /nfs/dbraw/zinc/76/31/37/443763137.db2.gz FJSZADKNBXLFJN-UHFFFAOYSA-N 1 3 338.471 1.970 20 0 EDADHO CN(C)CCN(C)CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000298407121 443763138 /nfs/dbraw/zinc/76/31/38/443763138.db2.gz FJSZADKNBXLFJN-UHFFFAOYSA-N 1 3 338.471 1.970 20 0 EDADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000560870735 321029309 /nfs/dbraw/zinc/02/93/09/321029309.db2.gz NLVFYJIYFHHWNB-PMACEKPBSA-N 1 3 346.519 1.021 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561013274 321031489 /nfs/dbraw/zinc/03/14/89/321031489.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000561013274 321031491 /nfs/dbraw/zinc/03/14/91/321031491.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)OC[C@@H]3C)CC2)CC1 ZINC000561118076 321033664 /nfs/dbraw/zinc/03/36/64/321033664.db2.gz GWZJRXUPADUZNA-HOTGVXAUSA-N 1 3 337.508 1.819 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000562365079 321054180 /nfs/dbraw/zinc/05/41/80/321054180.db2.gz HCSGEVPKPOXMSX-SJORKVTESA-N 1 3 331.460 1.400 20 0 EDADHO CN(CCC(=O)NCCN1CCN(C)C(C)(C)C1)c1cc[nH+]cc1 ZINC000562465177 321059285 /nfs/dbraw/zinc/05/92/85/321059285.db2.gz KWTVEXFGSNKHER-UHFFFAOYSA-N 1 3 333.480 1.050 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000565188122 321175632 /nfs/dbraw/zinc/17/56/32/321175632.db2.gz KCVJMIAXTDMKCT-UHFFFAOYSA-N 1 3 347.507 1.972 20 0 EDADHO CN(CCN[C@@H]1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000565225846 321176814 /nfs/dbraw/zinc/17/68/14/321176814.db2.gz GRSJDTNSWKKSPB-ZIAGYGMSSA-N 1 3 329.441 1.306 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361182 321183471 /nfs/dbraw/zinc/18/34/71/321183471.db2.gz IEMDSFBNSIMPKT-SPYBWZPUSA-N 1 3 335.492 1.511 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000565900959 321205328 /nfs/dbraw/zinc/20/53/28/321205328.db2.gz WIRQRXGUOHPYDB-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000566107554 321215551 /nfs/dbraw/zinc/21/55/51/321215551.db2.gz MZCHNVXVWNFQCA-YJBOKZPZSA-N 1 3 349.475 1.706 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000567475350 321243173 /nfs/dbraw/zinc/24/31/73/321243173.db2.gz HNNSZVKJYCXKJE-SJLPKXTDSA-N 1 3 333.476 1.392 20 0 EDADHO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000567846432 321262347 /nfs/dbraw/zinc/26/23/47/321262347.db2.gz ARTIZNODZNPZBB-QGZVFWFLSA-N 1 3 342.447 1.276 20 0 EDADHO CC[C@@H](O)[C@@H](CC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568293901 321287013 /nfs/dbraw/zinc/28/70/13/321287013.db2.gz WYAAQYYDAVMQST-QZTJIDSGSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1ccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000569455605 321326135 /nfs/dbraw/zinc/32/61/35/321326135.db2.gz ACYSDOULIVGJAJ-GOSISDBHSA-N 1 3 336.476 1.480 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccsc1Cl ZINC000569833108 321329914 /nfs/dbraw/zinc/32/99/14/321329914.db2.gz UYNOAXOXLBPDFC-UHFFFAOYSA-N 1 3 333.885 1.732 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942587 321365657 /nfs/dbraw/zinc/36/56/57/321365657.db2.gz KYPOCAOYINSBEF-MOPGFXCFSA-N 1 3 344.503 1.944 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000289562575 444172824 /nfs/dbraw/zinc/17/28/24/444172824.db2.gz CTTRRBBYNZCILB-SCLBCKFNSA-N 1 3 349.500 1.785 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000576730350 321591764 /nfs/dbraw/zinc/59/17/64/321591764.db2.gz XXIAQQJHDOEUSN-JZXOWHBKSA-N 1 3 348.516 1.560 20 0 EDADHO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759437 444319735 /nfs/dbraw/zinc/31/97/35/444319735.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 1 3 348.535 1.849 20 0 EDADHO C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759437 444319737 /nfs/dbraw/zinc/31/97/37/444319737.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 1 3 348.535 1.849 20 0 EDADHO C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000290759437 444319739 /nfs/dbraw/zinc/31/97/39/444319739.db2.gz ZOABCOACYTVPQJ-GOSISDBHSA-N 1 3 348.535 1.849 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCc1ccc2c(c1)CCO2 ZINC000340683816 444479679 /nfs/dbraw/zinc/47/96/79/444479679.db2.gz RARBBDGTOHQFBM-GOSISDBHSA-N 1 3 345.487 1.874 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000580065386 322004144 /nfs/dbraw/zinc/00/41/44/322004144.db2.gz USHVKSWAQVJXJG-NUJGCVRESA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)CN1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000580065386 322004145 /nfs/dbraw/zinc/00/41/45/322004145.db2.gz USHVKSWAQVJXJG-NUJGCVRESA-N 1 3 327.513 1.167 20 0 EDADHO [NH3+]CCCCn1cc(C(=O)Nc2ccc3c(c2F)CCNC3)nn1 ZINC000580953063 322117172 /nfs/dbraw/zinc/11/71/72/322117172.db2.gz RBDIVOWVHGOEID-UHFFFAOYSA-N 1 3 332.383 1.054 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581299660 322160683 /nfs/dbraw/zinc/16/06/83/322160683.db2.gz RLOPSWLBJNYQJM-ZBFHGGJFSA-N 1 3 332.448 1.130 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)CCOCC1)Cc1ccccc1 ZINC000338152477 444538703 /nfs/dbraw/zinc/53/87/03/444538703.db2.gz AFTFTZUHSYBVJI-QGZVFWFLSA-N 1 3 333.476 1.564 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343719054 444543294 /nfs/dbraw/zinc/54/32/94/444543294.db2.gz UAHQINKOXJCPLO-SJORKVTESA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343719054 444543297 /nfs/dbraw/zinc/54/32/97/444543297.db2.gz UAHQINKOXJCPLO-SJORKVTESA-N 1 3 336.524 1.488 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283150 444611056 /nfs/dbraw/zinc/61/10/56/444611056.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 1 3 341.521 1.217 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283150 444611060 /nfs/dbraw/zinc/61/10/60/444611060.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 1 3 341.521 1.217 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000338477603 444713445 /nfs/dbraw/zinc/71/34/45/444713445.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 1 3 339.528 1.042 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000338477603 444713446 /nfs/dbraw/zinc/71/34/46/444713446.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@H]1C[C@H](CO)CC[N@H+]1CCOCCN1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795544 /nfs/dbraw/zinc/79/55/44/444795544.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCOCCN1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795548 /nfs/dbraw/zinc/79/55/48/444795548.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795550 /nfs/dbraw/zinc/79/55/50/444795550.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795552 /nfs/dbraw/zinc/79/55/52/444795552.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 1 3 328.497 1.189 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(CCCN3CCOCC3)CC2)CC1 ZINC000336882348 444830233 /nfs/dbraw/zinc/83/02/33/444830233.db2.gz WKSPIKJVWHFLPY-UHFFFAOYSA-N 1 3 338.540 1.199 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342764509 444854476 /nfs/dbraw/zinc/85/44/76/444854476.db2.gz IONNNQBQHAIRRL-KBPBESRZSA-N 1 3 327.469 1.284 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)CCC(=O)OC)C1 ZINC000342764509 444854480 /nfs/dbraw/zinc/85/44/80/444854480.db2.gz IONNNQBQHAIRRL-KBPBESRZSA-N 1 3 327.469 1.284 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764273 444854856 /nfs/dbraw/zinc/85/48/56/444854856.db2.gz HARMNIPRNBGTCE-MJBXVCDLSA-N 1 3 327.469 1.140 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764273 444854857 /nfs/dbraw/zinc/85/48/57/444854857.db2.gz HARMNIPRNBGTCE-MJBXVCDLSA-N 1 3 327.469 1.140 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)C1 ZINC000344473718 444998552 /nfs/dbraw/zinc/99/85/52/444998552.db2.gz GQOJBIMDTINQGX-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)CN2CCC(C)CC2)C1 ZINC000344473718 444998555 /nfs/dbraw/zinc/99/85/55/444998555.db2.gz GQOJBIMDTINQGX-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CCN(CC)CC(=O)NC[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000337386584 445059336 /nfs/dbraw/zinc/05/93/36/445059336.db2.gz DLBICALOYWJFRD-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CCN(CC)CC(=O)N1CCC[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC000337386584 445059340 /nfs/dbraw/zinc/05/93/40/445059340.db2.gz DLBICALOYWJFRD-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616502 445088467 /nfs/dbraw/zinc/08/84/67/445088467.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616502 445088469 /nfs/dbraw/zinc/08/84/69/445088469.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337560488 445137277 /nfs/dbraw/zinc/13/72/77/445137277.db2.gz SAOXZZKBLHKGFO-WMZOPIPTSA-N 1 3 345.491 1.782 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337560488 445137282 /nfs/dbraw/zinc/13/72/82/445137282.db2.gz SAOXZZKBLHKGFO-WMZOPIPTSA-N 1 3 345.491 1.782 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000339223555 445098343 /nfs/dbraw/zinc/09/83/43/445098343.db2.gz BVHCEURSFVNIQO-CVEARBPZSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000339223555 445098345 /nfs/dbraw/zinc/09/83/45/445098345.db2.gz BVHCEURSFVNIQO-CVEARBPZSA-N 1 3 325.497 1.722 20 0 EDADHO COC(=O)c1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c[nH]1 ZINC000330825761 445155902 /nfs/dbraw/zinc/15/59/02/445155902.db2.gz FNPRJMBQOOMKPH-UHFFFAOYSA-N 1 3 348.491 1.651 20 0 EDADHO c1ccc(CN2C[C@H]3C[NH+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332671 445259546 /nfs/dbraw/zinc/25/95/46/445259546.db2.gz VIBYNPDGXOLVIC-NCYKPQTJSA-N 1 3 341.499 1.913 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351710194 445285254 /nfs/dbraw/zinc/28/52/54/445285254.db2.gz OETRTOBBBULPDF-HNNXBMFYSA-N 1 3 340.512 1.469 20 0 EDADHO COCCCN(C)CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351924069 445379081 /nfs/dbraw/zinc/37/90/81/445379081.db2.gz CHXYXZCXFSKMMC-OAHLLOKOSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCOC2CNC2)CC1 ZINC000349006147 445472884 /nfs/dbraw/zinc/47/28/84/445472884.db2.gz SYAVJKCOXNQQKG-OAHLLOKOSA-N 1 3 331.460 1.707 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000352102920 445493446 /nfs/dbraw/zinc/49/34/46/445493446.db2.gz VIFTZYLMCYOKFC-CRAIPNDOSA-N 1 3 348.491 1.113 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000352102920 445493450 /nfs/dbraw/zinc/49/34/50/445493450.db2.gz VIFTZYLMCYOKFC-CRAIPNDOSA-N 1 3 348.491 1.113 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521194 445631248 /nfs/dbraw/zinc/63/12/48/445631248.db2.gz XIRBWPLLINZPPK-AWEZNQCLSA-N 1 3 336.480 1.609 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358658422 445697599 /nfs/dbraw/zinc/69/75/99/445697599.db2.gz DZHIZGGHBAFLEU-HKUYNNGSSA-N 1 3 348.491 1.435 20 0 EDADHO COC1(CNCC(=O)NCC[NH+]2CCCCCC2)CCCCC1 ZINC000353668998 445700280 /nfs/dbraw/zinc/70/02/80/445700280.db2.gz HIBDWXWSPCKUMI-UHFFFAOYSA-N 1 3 325.497 1.918 20 0 EDADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)OC ZINC000360594127 445716204 /nfs/dbraw/zinc/71/62/04/445716204.db2.gz CGQODLZVKCZSNB-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)OC ZINC000360594127 445716206 /nfs/dbraw/zinc/71/62/06/445716206.db2.gz CGQODLZVKCZSNB-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000349933645 445725775 /nfs/dbraw/zinc/72/57/75/445725775.db2.gz LWEQJSIBWUKJIU-SOLBZPMBSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725821 /nfs/dbraw/zinc/72/58/21/445725821.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725825 /nfs/dbraw/zinc/72/58/25/445725825.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 1 3 326.485 1.127 20 0 EDADHO O=C(NCCCCC[NH+]1CCCCC1)NCCNc1ccncc1 ZINC000350047782 445756309 /nfs/dbraw/zinc/75/63/09/445756309.db2.gz JNDAJIMMBRKRFS-UHFFFAOYSA-N 1 3 333.480 1.871 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363556306 445857455 /nfs/dbraw/zinc/85/74/55/445857455.db2.gz ATQXHOIQXMSRGR-BZSNNMDCSA-N 1 3 334.508 1.844 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363556306 445857461 /nfs/dbraw/zinc/85/74/61/445857461.db2.gz ATQXHOIQXMSRGR-BZSNNMDCSA-N 1 3 334.508 1.844 20 0 EDADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)CN1CCC(C)CC1 ZINC000356571680 445864505 /nfs/dbraw/zinc/86/45/05/445864505.db2.gz COOKUZNJCFXOLF-UHFFFAOYSA-N 1 3 338.540 1.594 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198816 326024575 /nfs/dbraw/zinc/02/45/75/326024575.db2.gz JLYBHMVHQJDNAW-FCEWJHQRSA-N 1 3 335.492 1.308 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000583198817 326024625 /nfs/dbraw/zinc/02/46/25/326024625.db2.gz JLYBHMVHQJDNAW-GPMSIDNRSA-N 1 3 335.492 1.308 20 0 EDADHO O[C@H](CCc1ccccc1)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000583258829 326035663 /nfs/dbraw/zinc/03/56/63/326035663.db2.gz UDWBGDSUYOJXMZ-AQNXPRMDSA-N 1 3 332.488 1.948 20 0 EDADHO Cc1c(C(=O)NCCN2CCCCCC2)nnn1C1CC[NH2+]CC1 ZINC000583561670 326096206 /nfs/dbraw/zinc/09/62/06/326096206.db2.gz KNBBFTBHNGESGN-UHFFFAOYSA-N 1 3 334.468 1.117 20 0 EDADHO COC[C@]1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCC[NH2+]1 ZINC000584162510 326211530 /nfs/dbraw/zinc/21/15/30/326211530.db2.gz WHGQFKWIWIYSNY-SJLPKXTDSA-N 1 3 338.496 1.415 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000359358651 446172440 /nfs/dbraw/zinc/17/24/40/446172440.db2.gz IBWUZVLYXNTTQV-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000359372101 446180845 /nfs/dbraw/zinc/18/08/45/446180845.db2.gz TVOKWPUFRGOAJA-UHFFFAOYSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000373733671 446317084 /nfs/dbraw/zinc/31/70/84/446317084.db2.gz NEHQGKNSODBWPC-OAHLLOKOSA-N 1 3 334.464 1.669 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000417311177 446343411 /nfs/dbraw/zinc/34/34/11/446343411.db2.gz LLFNMMIQYJIJCB-KGLIPLIRSA-N 1 3 328.407 1.879 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000370612066 446357899 /nfs/dbraw/zinc/35/78/99/446357899.db2.gz HXHOSUXRYPAHPM-IBGZPJMESA-N 1 3 327.472 1.893 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516668 446360652 /nfs/dbraw/zinc/36/06/52/446360652.db2.gz OHUZRCFNNVKCDF-SJLPKXTDSA-N 1 3 348.491 1.605 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411239561 446438029 /nfs/dbraw/zinc/43/80/29/446438029.db2.gz GGLLUFLFHRMGMC-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO CN1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccs1 ZINC000370785213 446441779 /nfs/dbraw/zinc/44/17/79/446441779.db2.gz CSKXYACBFSMXJT-IOASZLSFSA-N 1 3 339.530 1.952 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418168898 446443852 /nfs/dbraw/zinc/44/38/52/446443852.db2.gz MMKUCZIBTGGVNJ-AWEZNQCLSA-N 1 3 334.464 1.648 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418202899 446455300 /nfs/dbraw/zinc/45/53/00/446455300.db2.gz JPAINUAVDYRRRS-YJBOKZPZSA-N 1 3 348.491 1.985 20 0 EDADHO CN(C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302616 446480265 /nfs/dbraw/zinc/48/02/65/446480265.db2.gz VWVBPJIEJULEIC-DOTOQJQBSA-N 1 3 341.459 1.909 20 0 EDADHO O=C(Cc1cccc(F)c1)N1CCCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420323844 446489014 /nfs/dbraw/zinc/48/90/14/446489014.db2.gz UMIULVNJWNITJC-MRXNPFEDSA-N 1 3 333.451 1.902 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423334004 446493586 /nfs/dbraw/zinc/49/35/86/446493586.db2.gz QFTMLARFYMTEKO-HUUCEWRRSA-N 1 3 333.480 1.491 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NCCCNCc2cccnc2)CC1 ZINC000418330634 446502343 /nfs/dbraw/zinc/50/23/43/446502343.db2.gz QJXHVKYTBZZMOF-UHFFFAOYSA-N 1 3 333.480 1.592 20 0 EDADHO Cc1cccc(OCCNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330247 446499247 /nfs/dbraw/zinc/49/92/47/446499247.db2.gz AOQYSEQNJLJTFZ-ZWKOTPCHSA-N 1 3 345.487 1.812 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423404852 446519989 /nfs/dbraw/zinc/51/99/89/446519989.db2.gz ZJNFOCCFIQQEET-HLLBOEOZSA-N 1 3 333.480 1.800 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418398213 446529994 /nfs/dbraw/zinc/52/99/94/446529994.db2.gz KLHXMSDTULCBJS-JKIFEVAISA-N 1 3 338.496 1.255 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)CN ZINC000420354117 446534095 /nfs/dbraw/zinc/53/40/95/446534095.db2.gz ODRWFHPOKOJCFN-SNVBAGLBSA-N 1 3 348.216 1.168 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)CN ZINC000420354117 446534102 /nfs/dbraw/zinc/53/41/02/446534102.db2.gz ODRWFHPOKOJCFN-SNVBAGLBSA-N 1 3 348.216 1.168 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418417278 446537694 /nfs/dbraw/zinc/53/76/94/446537694.db2.gz UYWDLAMVPBMWMV-GDBMZVCRSA-N 1 3 326.485 1.256 20 0 EDADHO Cc1ccc2[nH]c(CNC(=O)CCCN3CCC([NH3+])CC3)nc2c1 ZINC000433152459 446538602 /nfs/dbraw/zinc/53/86/02/446538602.db2.gz RQKVTEOYNCPEOH-UHFFFAOYSA-N 1 3 329.448 1.691 20 0 EDADHO Cc1ccc2nc(CNC(=O)CCCN3CCC([NH3+])CC3)[nH]c2c1 ZINC000433152459 446538607 /nfs/dbraw/zinc/53/86/07/446538607.db2.gz RQKVTEOYNCPEOH-UHFFFAOYSA-N 1 3 329.448 1.691 20 0 EDADHO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420367319 446546637 /nfs/dbraw/zinc/54/66/37/446546637.db2.gz VJQGTUUBAXZIKB-ZIAGYGMSSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418450326 446547047 /nfs/dbraw/zinc/54/70/47/446547047.db2.gz TXCRERMPVBLDEI-NVXWUHKLSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391770 446567832 /nfs/dbraw/zinc/56/78/32/446567832.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391770 446567839 /nfs/dbraw/zinc/56/78/39/446567839.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 1 3 338.496 1.269 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000420376761 446555018 /nfs/dbraw/zinc/55/50/18/446555018.db2.gz RFUFIDBXGRKABG-ROUUACIJSA-N 1 3 334.460 1.046 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000420376761 446555027 /nfs/dbraw/zinc/55/50/27/446555027.db2.gz RFUFIDBXGRKABG-ROUUACIJSA-N 1 3 334.460 1.046 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555716 /nfs/dbraw/zinc/55/57/16/446555716.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555721 /nfs/dbraw/zinc/55/57/21/446555721.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418593580 446607373 /nfs/dbraw/zinc/60/73/73/446607373.db2.gz MHGJPICGZPYBMS-CVEARBPZSA-N 1 3 326.485 1.256 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)N3CCN4CCC3CC4)CC2)CC1 ZINC000375229968 446657962 /nfs/dbraw/zinc/65/79/62/446657962.db2.gz SJJYVEINLBOJOT-UHFFFAOYSA-N 1 3 349.523 1.035 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418737785 446660777 /nfs/dbraw/zinc/66/07/77/446660777.db2.gz WCIAULPDGMBTCZ-DOTOQJQBSA-N 1 3 333.480 1.815 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418636017 446627201 /nfs/dbraw/zinc/62/72/01/446627201.db2.gz LRQJZRHMUZDYGY-QXAKKESOSA-N 1 3 342.487 1.999 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418636017 446627204 /nfs/dbraw/zinc/62/72/04/446627204.db2.gz LRQJZRHMUZDYGY-QXAKKESOSA-N 1 3 342.487 1.999 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423665416 446631661 /nfs/dbraw/zinc/63/16/61/446631661.db2.gz HJXWMSKPERXOID-MOPGFXCFSA-N 1 3 343.471 1.633 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000423665416 446631667 /nfs/dbraw/zinc/63/16/67/446631667.db2.gz HJXWMSKPERXOID-MOPGFXCFSA-N 1 3 343.471 1.633 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN(C2CCC2)C1 ZINC000418805697 446713054 /nfs/dbraw/zinc/71/30/54/446713054.db2.gz XYPMSBMVGCMHDC-VVLHAWIVSA-N 1 3 334.508 1.890 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000371263758 446723785 /nfs/dbraw/zinc/72/37/85/446723785.db2.gz CXSHXUHFGRPRJS-IBGZPJMESA-N 1 3 348.466 1.012 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000411820593 446681044 /nfs/dbraw/zinc/68/10/44/446681044.db2.gz HYNQBNFIWFCKAR-FUHWJXTLSA-N 1 3 349.523 1.788 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000411820593 446681047 /nfs/dbraw/zinc/68/10/47/446681047.db2.gz HYNQBNFIWFCKAR-FUHWJXTLSA-N 1 3 349.523 1.788 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375463794 446819003 /nfs/dbraw/zinc/81/90/03/446819003.db2.gz FYGCVSCIYBJHEI-USXIJHARSA-N 1 3 346.475 1.893 20 0 EDADHO CN(CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003610 446859563 /nfs/dbraw/zinc/85/95/63/446859563.db2.gz QNDNDXMXHOSVAA-DLBZAZTESA-N 1 3 346.475 1.011 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419023844 446871100 /nfs/dbraw/zinc/87/11/00/446871100.db2.gz JZLBYDRSVFNPPF-HUUCEWRRSA-N 1 3 340.512 1.247 20 0 EDADHO CCN(CC)C(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420982018 446955804 /nfs/dbraw/zinc/95/58/04/446955804.db2.gz OBKOLGVEDFXTPX-QGZVFWFLSA-N 1 3 338.540 1.735 20 0 EDADHO CCN(CC)C(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420982018 446955808 /nfs/dbraw/zinc/95/58/08/446955808.db2.gz OBKOLGVEDFXTPX-QGZVFWFLSA-N 1 3 338.540 1.735 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000443059390 447002298 /nfs/dbraw/zinc/00/22/98/447002298.db2.gz MOWSETGYCNIGNV-MRXNPFEDSA-N 1 3 341.459 1.549 20 0 EDADHO CN(C[C@@H](O)COc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829260 447086039 /nfs/dbraw/zinc/08/60/39/447086039.db2.gz FSRUGZJDPYIOFK-RTBURBONSA-N 1 3 347.503 1.527 20 0 EDADHO CN(C[C@@H](O)COc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829260 447086045 /nfs/dbraw/zinc/08/60/45/447086045.db2.gz FSRUGZJDPYIOFK-RTBURBONSA-N 1 3 347.503 1.527 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431275 447170407 /nfs/dbraw/zinc/17/04/07/447170407.db2.gz XEBFKTOGVVURTP-OWCLPIDISA-N 1 3 340.512 1.104 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431275 447170412 /nfs/dbraw/zinc/17/04/12/447170412.db2.gz XEBFKTOGVVURTP-OWCLPIDISA-N 1 3 340.512 1.104 20 0 EDADHO C[N@H+](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000446258629 447247600 /nfs/dbraw/zinc/24/76/00/447247600.db2.gz NVNFQQBUEQFDMA-JTDSTZFVSA-N 1 3 337.508 1.900 20 0 EDADHO C[N@@H+](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000446258629 447247607 /nfs/dbraw/zinc/24/76/07/447247607.db2.gz NVNFQQBUEQFDMA-JTDSTZFVSA-N 1 3 337.508 1.900 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383344398 447466099 /nfs/dbraw/zinc/46/60/99/447466099.db2.gz LWQKUTHYSLAARS-MSOLQXFVSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000383344398 447466106 /nfs/dbraw/zinc/46/61/06/447466106.db2.gz LWQKUTHYSLAARS-MSOLQXFVSA-N 1 3 331.460 1.393 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458730442 447466331 /nfs/dbraw/zinc/46/63/31/447466331.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000458730442 447466341 /nfs/dbraw/zinc/46/63/41/447466341.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390869686 447504866 /nfs/dbraw/zinc/50/48/66/447504866.db2.gz FSJSTOBCHSNUCV-PKOBYXMFSA-N 1 3 345.487 1.783 20 0 EDADHO COc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1OC(F)F ZINC000391059127 447509758 /nfs/dbraw/zinc/50/97/58/447509758.db2.gz OZCYBNWPMIUPNA-UHFFFAOYSA-N 1 3 329.391 1.634 20 0 EDADHO CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420013449 447545826 /nfs/dbraw/zinc/54/58/26/447545826.db2.gz LEURMDZVIZAPNI-HLLBOEOZSA-N 1 3 346.475 1.134 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397588809 447551140 /nfs/dbraw/zinc/55/11/40/447551140.db2.gz KZWUAPHOMFFLOX-KRWDZBQOSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000397588809 447551146 /nfs/dbraw/zinc/55/11/46/447551146.db2.gz KZWUAPHOMFFLOX-KRWDZBQOSA-N 1 3 331.460 1.081 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264796 447571651 /nfs/dbraw/zinc/57/16/51/447571651.db2.gz IZMHUVXNOFWEMB-HOTGVXAUSA-N 1 3 344.459 1.322 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416837101 447694381 /nfs/dbraw/zinc/69/43/81/447694381.db2.gz WMLYNWUONJARBH-HUUCEWRRSA-N 1 3 326.485 1.399 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852931 447696452 /nfs/dbraw/zinc/69/64/52/447696452.db2.gz SSYIEMXNZYVIIF-QUCCMNQESA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+]1CCCCC1 ZINC000457903871 447666449 /nfs/dbraw/zinc/66/64/49/447666449.db2.gz GAMGHLYOPULICM-IRXDYDNUSA-N 1 3 340.512 1.254 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000420231839 447680792 /nfs/dbraw/zinc/68/07/92/447680792.db2.gz SLDSEAQDXJEPCV-AVGNSLFASA-N 1 3 333.484 1.499 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422722711 447728833 /nfs/dbraw/zinc/72/88/33/447728833.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 1 3 331.504 1.908 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422735583 447732936 /nfs/dbraw/zinc/73/29/36/447732936.db2.gz WFKVYKJDZORLAL-JSGCOSHPSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422735583 447732945 /nfs/dbraw/zinc/73/29/45/447732945.db2.gz WFKVYKJDZORLAL-JSGCOSHPSA-N 1 3 340.265 1.896 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417090342 447735196 /nfs/dbraw/zinc/73/51/96/447735196.db2.gz VWXPIQGFQPKVIS-OAHLLOKOSA-N 1 3 332.492 1.978 20 0 EDADHO COC[C@H](CCC[NH3+])NCc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000422745688 447736535 /nfs/dbraw/zinc/73/65/35/447736535.db2.gz YFPMPHXPQCPZMM-HNNXBMFYSA-N 1 3 343.493 1.217 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1NCC1CC[NH+](CCC(C)C)CC1 ZINC000422839158 447765925 /nfs/dbraw/zinc/76/59/25/447765925.db2.gz PQIHGAWIBOQDCN-IAGOWNOFSA-N 1 3 325.497 1.628 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770189 /nfs/dbraw/zinc/77/01/89/447770189.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 1 3 336.524 1.439 20 0 EDADHO CN(CCN[C@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102532 447805065 /nfs/dbraw/zinc/80/50/65/447805065.db2.gz WYSXVKYNCDDJPJ-BBRMVZONSA-N 1 3 343.468 1.553 20 0 EDADHO CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955500 /nfs/dbraw/zinc/95/55/00/447955500.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 1 3 348.466 1.139 20 0 EDADHO C[N@@H+]1CC[C@H](NCCc2nnnn2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552055508 447931094 /nfs/dbraw/zinc/93/10/94/447931094.db2.gz QVIJGUUPLOWVTO-YESZJQIVSA-N 1 3 326.448 1.667 20 0 EDADHO C[N@H+]1CC[C@H](NCCc2nnnn2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552055508 447931099 /nfs/dbraw/zinc/93/10/99/447931099.db2.gz QVIJGUUPLOWVTO-YESZJQIVSA-N 1 3 326.448 1.667 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3CCO)CC2)CC1 ZINC000576120338 447979047 /nfs/dbraw/zinc/97/90/47/447979047.db2.gz CHOPZSCQZKGGRH-SFHVURJKSA-N 1 3 337.508 1.556 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000525248948 447983253 /nfs/dbraw/zinc/98/32/53/447983253.db2.gz JMULAEYDJVSTIN-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000576271986 448014515 /nfs/dbraw/zinc/01/45/15/448014515.db2.gz NOLGMZUCEKLJPN-FQEVSTJZSA-N 1 3 349.494 1.877 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000576271986 448014526 /nfs/dbraw/zinc/01/45/26/448014526.db2.gz NOLGMZUCEKLJPN-FQEVSTJZSA-N 1 3 349.494 1.877 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215772 447968395 /nfs/dbraw/zinc/96/83/95/447968395.db2.gz SRINJEVUTJTMKT-WMLDXEAASA-N 1 3 329.485 1.584 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215772 447968401 /nfs/dbraw/zinc/96/84/01/447968401.db2.gz SRINJEVUTJTMKT-WMLDXEAASA-N 1 3 329.485 1.584 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215772 447968410 /nfs/dbraw/zinc/96/84/10/447968410.db2.gz SRINJEVUTJTMKT-WMLDXEAASA-N 1 3 329.485 1.584 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(C2CCCC2)nc1N ZINC000554578786 448037659 /nfs/dbraw/zinc/03/76/59/448037659.db2.gz UOEBEWVKUWTHEQ-UHFFFAOYSA-N 1 3 348.495 1.282 20 0 EDADHO C[C@@H]([NH2+]CC(C)(C)N)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305959 448059645 /nfs/dbraw/zinc/05/96/45/448059645.db2.gz LQTFIIDZQNNBQP-GDBMZVCRSA-N 1 3 335.448 1.739 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000531489694 448093194 /nfs/dbraw/zinc/09/31/94/448093194.db2.gz OFDJVVSWWWSSQN-HNNXBMFYSA-N 1 3 349.450 1.737 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000531489694 448093203 /nfs/dbraw/zinc/09/32/03/448093203.db2.gz OFDJVVSWWWSSQN-HNNXBMFYSA-N 1 3 349.450 1.737 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000571315984 448135982 /nfs/dbraw/zinc/13/59/82/448135982.db2.gz QQDJXXDMRPJDPO-FQEVSTJZSA-N 1 3 349.519 1.700 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000571897542 448231718 /nfs/dbraw/zinc/23/17/18/448231718.db2.gz PMUNCNXIECCYDM-QZTJIDSGSA-N 1 3 346.475 1.281 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000515405916 448307897 /nfs/dbraw/zinc/30/78/97/448307897.db2.gz NKVXDRLWEHPFHK-FGTMMUONSA-N 1 3 328.460 1.799 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000515405916 448307902 /nfs/dbraw/zinc/30/79/02/448307902.db2.gz NKVXDRLWEHPFHK-FGTMMUONSA-N 1 3 328.460 1.799 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000515347736 448294882 /nfs/dbraw/zinc/29/48/82/448294882.db2.gz MIMLWZWLRQCDAH-TVFCKZIOSA-N 1 3 327.513 1.311 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000515347736 448294887 /nfs/dbraw/zinc/29/48/87/448294887.db2.gz MIMLWZWLRQCDAH-TVFCKZIOSA-N 1 3 327.513 1.311 20 0 EDADHO Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572368004 448360104 /nfs/dbraw/zinc/36/01/04/448360104.db2.gz QHOCDWRMYIWUGA-OAHLLOKOSA-N 1 3 339.447 1.503 20 0 EDADHO Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572368004 448360106 /nfs/dbraw/zinc/36/01/06/448360106.db2.gz QHOCDWRMYIWUGA-OAHLLOKOSA-N 1 3 339.447 1.503 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000572539622 448404521 /nfs/dbraw/zinc/40/45/21/448404521.db2.gz HCKVISTWCIAPTR-UHFFFAOYSA-N 1 3 347.507 1.538 20 0 EDADHO COc1cc(C)nc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832332 448424670 /nfs/dbraw/zinc/42/46/70/448424670.db2.gz LFSBARMBKSBNIA-SFHVURJKSA-N 1 3 332.492 1.999 20 0 EDADHO CN(CCC[NH3+])C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000578504595 448563511 /nfs/dbraw/zinc/56/35/11/448563511.db2.gz RRFYXUCSAQXUBB-UHFFFAOYSA-N 1 3 328.526 1.728 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000584468573 448538220 /nfs/dbraw/zinc/53/82/20/448538220.db2.gz XXDIZJWNSZSQDD-QGZVFWFLSA-N 1 3 334.464 1.037 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528717566 448642663 /nfs/dbraw/zinc/64/26/63/448642663.db2.gz DHVARAPEMRJKOJ-CQSZACIVSA-N 1 3 332.448 1.974 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528717566 448642668 /nfs/dbraw/zinc/64/26/68/448642668.db2.gz DHVARAPEMRJKOJ-CQSZACIVSA-N 1 3 332.448 1.974 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@@]1(C)C[NH3+] ZINC000584838409 448650544 /nfs/dbraw/zinc/65/05/44/448650544.db2.gz NUODLZAHORRFMK-SZVBFZGTSA-N 1 3 330.476 1.737 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584775859 448627038 /nfs/dbraw/zinc/62/70/38/448627038.db2.gz UVSDVGJOBLOISU-ZSYWTGECSA-N 1 3 341.540 1.557 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000578756765 448627663 /nfs/dbraw/zinc/62/76/63/448627663.db2.gz NBGRZWMICCSWII-NQYYFHDYSA-N 1 3 349.544 1.946 20 0 EDADHO CO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000518715057 448701122 /nfs/dbraw/zinc/70/11/22/448701122.db2.gz OFBRDGOMSJXHEH-HUUCEWRRSA-N 1 3 326.485 1.079 20 0 EDADHO O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000567674004 448733046 /nfs/dbraw/zinc/73/30/46/448733046.db2.gz YIGQKTHUVHLQRJ-BHYGNILZSA-N 1 3 327.428 1.103 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000579469493 448800955 /nfs/dbraw/zinc/80/09/55/448800955.db2.gz GWPXVRPIMMLUTG-WCQYABFASA-N 1 3 332.404 1.093 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580903 448824529 /nfs/dbraw/zinc/82/45/29/448824529.db2.gz ZVLSASLEXKTJDG-SOLBZPMBSA-N 1 3 331.460 1.644 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353170 448837713 /nfs/dbraw/zinc/83/77/13/448837713.db2.gz PLVDHVFLMPZKOQ-GDBMZVCRSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558627 448900805 /nfs/dbraw/zinc/90/08/05/448900805.db2.gz JRWYSCNBVBHRBQ-HIFRSBDPSA-N 1 3 333.480 1.522 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574569186 448904380 /nfs/dbraw/zinc/90/43/80/448904380.db2.gz KCTMQXSADLNDQB-KDOFPFPSSA-N 1 3 328.460 1.738 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000574569186 448904386 /nfs/dbraw/zinc/90/43/86/448904386.db2.gz KCTMQXSADLNDQB-KDOFPFPSSA-N 1 3 328.460 1.738 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579927450 448910460 /nfs/dbraw/zinc/91/04/60/448910460.db2.gz VGUJTGNXJRTFJF-IAGOWNOFSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579927450 448910466 /nfs/dbraw/zinc/91/04/66/448910466.db2.gz VGUJTGNXJRTFJF-IAGOWNOFSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(CCNCCC[NH+]1CCC(O)CC1)Nc1cc(F)cc(F)c1 ZINC000521436070 448986406 /nfs/dbraw/zinc/98/64/06/448986406.db2.gz LYFZQKPSYVZKCV-UHFFFAOYSA-N 1 3 341.402 1.730 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)nn1 ZINC000521042797 448949300 /nfs/dbraw/zinc/94/93/00/448949300.db2.gz QUGOGIQOODWHOX-ZBAHALTISA-N 1 3 346.479 1.054 20 0 EDADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3N)cc2)CC1 ZINC000575038257 449017963 /nfs/dbraw/zinc/01/79/63/449017963.db2.gz FAOKNRGUEIWQOS-OALUTQOASA-N 1 3 344.503 1.824 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521986776 449035670 /nfs/dbraw/zinc/03/56/70/449035670.db2.gz WBYYONTXTJSYGL-BZUAXINKSA-N 1 3 338.496 1.399 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000582286126 449055700 /nfs/dbraw/zinc/05/57/00/449055700.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000582286126 449055704 /nfs/dbraw/zinc/05/57/04/449055704.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO CNC(=O)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])Cc1ccc(OC)c(F)c1 ZINC000575401855 449089300 /nfs/dbraw/zinc/08/93/00/449089300.db2.gz PZZFMPNMAVTBNS-DYEKYZERSA-N 1 3 325.428 1.454 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000548808968 449099690 /nfs/dbraw/zinc/09/96/90/449099690.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCCN1CCN(C)CC1 ZINC000548808968 449099693 /nfs/dbraw/zinc/09/96/93/449099693.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CC(C)OC(=O)CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911984 449249158 /nfs/dbraw/zinc/24/91/58/449249158.db2.gz VVBOWTDASCQZMH-OAHLLOKOSA-N 1 3 349.479 1.340 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccoc2)no1 ZINC000606841957 449526070 /nfs/dbraw/zinc/52/60/70/449526070.db2.gz NHKJACCKKRUJBV-UHFFFAOYSA-N 1 3 349.435 1.214 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC000596579792 449560450 /nfs/dbraw/zinc/56/04/50/449560450.db2.gz DNLZMRMZPLZZNC-AWEZNQCLSA-N 1 3 330.542 1.843 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC000596579792 449560455 /nfs/dbraw/zinc/56/04/55/449560455.db2.gz DNLZMRMZPLZZNC-AWEZNQCLSA-N 1 3 330.542 1.843 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)CC(C)C ZINC000602476612 449620750 /nfs/dbraw/zinc/62/07/50/449620750.db2.gz SSYGMACNUMURRT-CMJOXMDJSA-N 1 3 345.553 1.360 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000617504494 449651270 /nfs/dbraw/zinc/65/12/70/449651270.db2.gz YJAJQEBSQXXTCA-HNNXBMFYSA-N 1 3 333.476 1.552 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCO2 ZINC000617504494 449651277 /nfs/dbraw/zinc/65/12/77/449651277.db2.gz YJAJQEBSQXXTCA-HNNXBMFYSA-N 1 3 333.476 1.552 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000617506190 449651914 /nfs/dbraw/zinc/65/19/14/449651914.db2.gz FBPQMHKKIHTUJT-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2ccnn2)c1 ZINC000617506190 449651920 /nfs/dbraw/zinc/65/19/20/449651920.db2.gz FBPQMHKKIHTUJT-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000617505590 449653845 /nfs/dbraw/zinc/65/38/45/449653845.db2.gz JCRFLBXODNPXQQ-AWEZNQCLSA-N 1 3 348.491 1.668 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000617505590 449653849 /nfs/dbraw/zinc/65/38/49/449653849.db2.gz JCRFLBXODNPXQQ-AWEZNQCLSA-N 1 3 348.491 1.668 20 0 EDADHO CSc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C ZINC000617507042 449655825 /nfs/dbraw/zinc/65/58/25/449655825.db2.gz GETWBFCBAZFOKD-LBPRGKRZSA-N 1 3 327.498 1.144 20 0 EDADHO CSc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C ZINC000617507042 449655833 /nfs/dbraw/zinc/65/58/33/449655833.db2.gz GETWBFCBAZFOKD-LBPRGKRZSA-N 1 3 327.498 1.144 20 0 EDADHO CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CCN(C)C1 ZINC000617551371 449683189 /nfs/dbraw/zinc/68/31/89/449683189.db2.gz PZEFUNXPSUFVBK-JKSUJKDBSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000617505075 449649210 /nfs/dbraw/zinc/64/92/10/449649210.db2.gz WKRHTRDZHHSXOU-INIZCTEOSA-N 1 3 334.508 1.750 20 0 EDADHO C[C@H](CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[NH+](C)C ZINC000617750718 449815837 /nfs/dbraw/zinc/81/58/37/449815837.db2.gz KFUDXISOWZPMFB-MRXNPFEDSA-N 1 3 347.503 1.961 20 0 EDADHO C[C@@]1(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902543 449933946 /nfs/dbraw/zinc/93/39/46/449933946.db2.gz BPKOCIQNBZTJEH-IEBWSBKVSA-N 1 3 346.475 1.329 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964574 449960430 /nfs/dbraw/zinc/96/04/30/449960430.db2.gz RMOGQXJXIBCQHM-SJORKVTESA-N 1 3 330.476 1.601 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623380086 450509390 /nfs/dbraw/zinc/50/93/90/450509390.db2.gz RLXWFWLJBSUDON-OAHLLOKOSA-N 1 3 339.505 1.736 20 0 EDADHO CN(CCCNCc1ncc(Br)cc1F)CC[NH+](C)C ZINC000623576465 450545917 /nfs/dbraw/zinc/54/59/17/450545917.db2.gz YVEFXSBAENOQTQ-UHFFFAOYSA-N 1 3 347.276 1.956 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000621099704 450580378 /nfs/dbraw/zinc/58/03/78/450580378.db2.gz ZRWBNXBDJARPMV-INIZCTEOSA-N 1 3 333.480 1.297 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000621099704 450580382 /nfs/dbraw/zinc/58/03/82/450580382.db2.gz ZRWBNXBDJARPMV-INIZCTEOSA-N 1 3 333.480 1.297 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629417942 450663248 /nfs/dbraw/zinc/66/32/48/450663248.db2.gz LICNKEFBXYSFQO-CALCHBBNSA-N 1 3 337.508 1.963 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629417942 450663255 /nfs/dbraw/zinc/66/32/55/450663255.db2.gz LICNKEFBXYSFQO-CALCHBBNSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900687 450630316 /nfs/dbraw/zinc/63/03/16/450630316.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623900687 450630322 /nfs/dbraw/zinc/63/03/22/450630322.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCOCC[NH2+]C)cc1 ZINC000629528598 450726521 /nfs/dbraw/zinc/72/65/21/450726521.db2.gz DQEOBVACAFCFJE-CYBMUJFWSA-N 1 3 329.466 1.335 20 0 EDADHO C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000635254807 450786323 /nfs/dbraw/zinc/78/63/23/450786323.db2.gz IGODEPWFMCUPSY-YVWKXTFCSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000635254807 450786330 /nfs/dbraw/zinc/78/63/30/450786330.db2.gz IGODEPWFMCUPSY-YVWKXTFCSA-N 1 3 345.487 1.591 20 0 EDADHO CN(C)C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000621649392 450813576 /nfs/dbraw/zinc/81/35/76/450813576.db2.gz IZVGZKNXRNHKET-MRXNPFEDSA-N 1 3 329.488 1.982 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631961257 450918026 /nfs/dbraw/zinc/91/80/26/450918026.db2.gz JAOJSWKEILOQOG-OAHLLOKOSA-N 1 3 325.478 1.640 20 0 EDADHO CN(CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935502 /nfs/dbraw/zinc/93/55/02/450935502.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 1 3 345.487 1.878 20 0 EDADHO CN(CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935506 /nfs/dbraw/zinc/93/55/06/450935506.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 1 3 345.487 1.878 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CCc2ccccn2)CC1 ZINC000635459683 450959720 /nfs/dbraw/zinc/95/97/20/450959720.db2.gz JYQVPYMYCDOEBW-KRWDZBQOSA-N 1 3 344.503 1.889 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CCc2ccccn2)CC1 ZINC000635459683 450959726 /nfs/dbraw/zinc/95/97/26/450959726.db2.gz JYQVPYMYCDOEBW-KRWDZBQOSA-N 1 3 344.503 1.889 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000626919208 451003286 /nfs/dbraw/zinc/00/32/86/451003286.db2.gz DANGQUJRRWGPPT-NVXWUHKLSA-N 1 3 332.448 1.493 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626921583 451005363 /nfs/dbraw/zinc/00/53/63/451005363.db2.gz DHXMCAWMEQMMMR-DLBZAZTESA-N 1 3 330.476 1.743 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000626953726 451031216 /nfs/dbraw/zinc/03/12/16/451031216.db2.gz CXPFKFKRIBALFR-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000627001895 451067837 /nfs/dbraw/zinc/06/78/37/451067837.db2.gz NRDQOUXHFZCIKV-OAHLLOKOSA-N 1 3 349.479 1.224 20 0 EDADHO [NH3+]CCCOCCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000627028202 451089923 /nfs/dbraw/zinc/08/99/23/451089923.db2.gz HVATZEPEXCFFIE-UHFFFAOYSA-N 1 3 340.512 1.697 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000632116611 451047555 /nfs/dbraw/zinc/04/75/55/451047555.db2.gz XRZVVMKCJHNGNG-INIZCTEOSA-N 1 3 333.480 1.249 20 0 EDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551587 451048114 /nfs/dbraw/zinc/04/81/14/451048114.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 1 3 334.508 1.288 20 0 EDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551587 451048119 /nfs/dbraw/zinc/04/81/19/451048119.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 1 3 334.508 1.288 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551587 451048124 /nfs/dbraw/zinc/04/81/24/451048124.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 1 3 334.508 1.288 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627154680 451151856 /nfs/dbraw/zinc/15/18/56/451151856.db2.gz NBCFEDDMCLJNGG-UHFFFAOYSA-N 1 3 326.485 1.258 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248040 451206766 /nfs/dbraw/zinc/20/67/66/451206766.db2.gz DDOMMDOLQLXNGW-IAGOWNOFSA-N 1 3 331.464 1.439 20 0 EDADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000635743395 451213309 /nfs/dbraw/zinc/21/33/09/451213309.db2.gz NVSCSRQFQTXOSH-QZTJIDSGSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1N1CCN(C)CC1 ZINC000635750522 451218236 /nfs/dbraw/zinc/21/82/36/451218236.db2.gz SNYMSZUBGUYORW-ZWKOTPCHSA-N 1 3 348.535 1.347 20 0 EDADHO C(CN1CCC(OCC[NH+]2CCCC2)CC1)OC1CCOCC1 ZINC000625212477 451218914 /nfs/dbraw/zinc/21/89/14/451218914.db2.gz QCEXLXAAWLKSCO-UHFFFAOYSA-N 1 3 326.481 1.759 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638101019 451267366 /nfs/dbraw/zinc/26/73/66/451267366.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 1 3 332.492 1.436 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638101019 451267375 /nfs/dbraw/zinc/26/73/75/451267375.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 1 3 332.492 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000638102228 451268484 /nfs/dbraw/zinc/26/84/84/451268484.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 1 3 330.476 1.046 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102228 451268491 /nfs/dbraw/zinc/26/84/91/451268491.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 1 3 330.476 1.046 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000638103196 451270179 /nfs/dbraw/zinc/27/01/79/451270179.db2.gz LRVSUDWSPXXXIF-LBKNJMOBSA-N 1 3 345.487 1.923 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635847084 451295538 /nfs/dbraw/zinc/29/55/38/451295538.db2.gz QIDMUBAVXNKPCB-UHFFFAOYSA-N 1 3 333.476 1.927 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301971 /nfs/dbraw/zinc/30/19/71/451301971.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301976 /nfs/dbraw/zinc/30/19/76/451301976.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@]2(C)CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131532 451304403 /nfs/dbraw/zinc/30/44/03/451304403.db2.gz RHRQRWQKHPOONT-QFBILLFUSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@]2(C)CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131532 451304406 /nfs/dbraw/zinc/30/44/06/451304406.db2.gz RHRQRWQKHPOONT-QFBILLFUSA-N 1 3 331.460 1.488 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000638132831 451305971 /nfs/dbraw/zinc/30/59/71/451305971.db2.gz FQLUVGRCAWDNET-SFHVURJKSA-N 1 3 340.427 1.309 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160996 451329571 /nfs/dbraw/zinc/32/95/71/451329571.db2.gz MWBIKBKEBWYNCB-SFHVURJKSA-N 1 3 342.443 1.422 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749188 451396982 /nfs/dbraw/zinc/39/69/82/451396982.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749188 451396988 /nfs/dbraw/zinc/39/69/88/451396988.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)C(=O)c1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638334964 451439982 /nfs/dbraw/zinc/43/99/82/451439982.db2.gz FRDQRXMXMKIQPB-UHFFFAOYSA-N 1 3 333.476 1.713 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCCN1 ZINC000638309788 451423263 /nfs/dbraw/zinc/42/32/63/451423263.db2.gz NNGUWJXVZJODFQ-IEZWGBDMSA-N 1 3 335.492 1.620 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCCN1 ZINC000638309788 451423267 /nfs/dbraw/zinc/42/32/67/451423267.db2.gz NNGUWJXVZJODFQ-IEZWGBDMSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630852076 451437961 /nfs/dbraw/zinc/43/79/61/451437961.db2.gz GWXBFPSMMLBNOM-NUJGCVRESA-N 1 3 347.507 1.922 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCN(C)C)c1 ZINC000630871007 451451964 /nfs/dbraw/zinc/45/19/64/451451964.db2.gz FDGLQAHHXKKIJN-QGZVFWFLSA-N 1 3 335.496 1.829 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CCN(C)C)c1 ZINC000630871007 451451968 /nfs/dbraw/zinc/45/19/68/451451968.db2.gz FDGLQAHHXKKIJN-QGZVFWFLSA-N 1 3 335.496 1.829 20 0 EDADHO CCc1nncn1CCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634705770 451481880 /nfs/dbraw/zinc/48/18/80/451481880.db2.gz FTIGPJXMDZTSKA-SFHVURJKSA-N 1 3 329.448 1.067 20 0 EDADHO CCc1nncn1CCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634705770 451481884 /nfs/dbraw/zinc/48/18/84/451481884.db2.gz FTIGPJXMDZTSKA-SFHVURJKSA-N 1 3 329.448 1.067 20 0 EDADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393533 451483366 /nfs/dbraw/zinc/48/33/66/451483366.db2.gz RVYVSDVKHSTSOH-OAGGEKHMSA-N 1 3 325.497 1.852 20 0 EDADHO Cc1cncc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634649599 451445066 /nfs/dbraw/zinc/44/50/66/451445066.db2.gz QGEYDTYETMEFTF-LJQANCHMSA-N 1 3 326.444 1.554 20 0 EDADHO Cc1cncc(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634649599 451445068 /nfs/dbraw/zinc/44/50/68/451445068.db2.gz QGEYDTYETMEFTF-LJQANCHMSA-N 1 3 326.444 1.554 20 0 EDADHO CN(CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341171 451445353 /nfs/dbraw/zinc/44/53/53/451445353.db2.gz NSZWCSONQKQRFK-RDJZCZTQSA-N 1 3 325.497 1.709 20 0 EDADHO OCCCN1CCC[C@H]1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634721247 451501352 /nfs/dbraw/zinc/50/13/52/451501352.db2.gz VRRKVPONFGJLKR-VQTJNVASSA-N 1 3 347.503 1.060 20 0 EDADHO c1cnn(C2CC([NH2+]CCCN3CCN(c4ccncc4)CC3)C2)c1 ZINC000638462145 451527560 /nfs/dbraw/zinc/52/75/60/451527560.db2.gz JEXYZVUKOGGJHN-UHFFFAOYSA-N 1 3 340.475 1.784 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764942 451534016 /nfs/dbraw/zinc/53/40/16/451534016.db2.gz HDKKPRNSCYLDDG-IAGOWNOFSA-N 1 3 332.492 1.340 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cnccn3)CC2)CC1 ZINC000636151010 451550654 /nfs/dbraw/zinc/55/06/54/451550654.db2.gz HFSGFRKYPBWSEJ-HNNXBMFYSA-N 1 3 345.491 1.850 20 0 EDADHO CO[C@@H](CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570948 451582487 /nfs/dbraw/zinc/58/24/87/451582487.db2.gz DITJISSGAHKQAZ-SJORKVTESA-N 1 3 325.497 1.759 20 0 EDADHO CO[C@@H](CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570948 451582492 /nfs/dbraw/zinc/58/24/92/451582492.db2.gz DITJISSGAHKQAZ-SJORKVTESA-N 1 3 325.497 1.759 20 0 EDADHO CO[C@H](CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000638586499 451590492 /nfs/dbraw/zinc/59/04/92/451590492.db2.gz UCTYIYKPBUVSRD-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@H](CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000638586499 451590495 /nfs/dbraw/zinc/59/04/95/451590495.db2.gz UCTYIYKPBUVSRD-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@H](C[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000638586499 451590497 /nfs/dbraw/zinc/59/04/97/451590497.db2.gz UCTYIYKPBUVSRD-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@H](CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586497 451590602 /nfs/dbraw/zinc/59/06/02/451590602.db2.gz UCTYIYKPBUVSRD-RBUKOAKNSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@H](CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586497 451590605 /nfs/dbraw/zinc/59/06/05/451590605.db2.gz UCTYIYKPBUVSRD-RBUKOAKNSA-N 1 3 345.487 1.899 20 0 EDADHO CO[C@H](C[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586497 451590607 /nfs/dbraw/zinc/59/06/07/451590607.db2.gz UCTYIYKPBUVSRD-RBUKOAKNSA-N 1 3 345.487 1.899 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922404 451610285 /nfs/dbraw/zinc/61/02/85/451610285.db2.gz RJUYLULLHAHHAH-DYVFJYSZSA-N 1 3 346.479 1.754 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000638565233 451579839 /nfs/dbraw/zinc/57/98/39/451579839.db2.gz YOQVNGQVOWIVKD-DGCLKSJQSA-N 1 3 347.385 1.044 20 0 EDADHO CN1CCN(c2ccnc(NC(=O)C34CCC[NH+](CCC3)C4)c2)CC1 ZINC000636310715 451673125 /nfs/dbraw/zinc/67/31/25/451673125.db2.gz AUEVMTXGUZNPAJ-UHFFFAOYSA-N 1 3 343.475 1.648 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000638747105 451673543 /nfs/dbraw/zinc/67/35/43/451673543.db2.gz AIIUTYGBBDZMSA-IPMKNSEASA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000638783092 451690410 /nfs/dbraw/zinc/69/04/10/451690410.db2.gz HILFLJARYFRAQK-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800650 451694971 /nfs/dbraw/zinc/69/49/71/451694971.db2.gz OBJCKFHJBAWNHR-UYAOXDASSA-N 1 3 345.487 1.783 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800650 451694976 /nfs/dbraw/zinc/69/49/76/451694976.db2.gz OBJCKFHJBAWNHR-UYAOXDASSA-N 1 3 345.487 1.783 20 0 EDADHO CC[C@@H]1CN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC[C@H]1[NH3+] ZINC000632962193 451671167 /nfs/dbraw/zinc/67/11/67/451671167.db2.gz YWBUYVIJGPATLS-CZUORRHYSA-N 1 3 334.468 1.741 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641215121 451784123 /nfs/dbraw/zinc/78/41/23/451784123.db2.gz NJHOIKLZRITJMA-LJQANCHMSA-N 1 3 343.475 1.803 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(CNC2CCCC2)nn1 ZINC000641215121 451784125 /nfs/dbraw/zinc/78/41/25/451784125.db2.gz NJHOIKLZRITJMA-LJQANCHMSA-N 1 3 343.475 1.803 20 0 EDADHO CO[C@](C)(C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000639261040 451800273 /nfs/dbraw/zinc/80/02/73/451800273.db2.gz KDQYHEFHCLEIPF-QGZVFWFLSA-N 1 3 325.497 1.188 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCO2 ZINC000649131716 451866303 /nfs/dbraw/zinc/86/63/03/451866303.db2.gz XZUOLRCSTTXFAY-QGZVFWFLSA-N 1 3 335.492 1.717 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C1CCCC1)CCO2 ZINC000649131716 451866305 /nfs/dbraw/zinc/86/63/05/451866305.db2.gz XZUOLRCSTTXFAY-QGZVFWFLSA-N 1 3 335.492 1.717 20 0 EDADHO CC(C)CN1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639432506 451867931 /nfs/dbraw/zinc/86/79/31/451867931.db2.gz HNAQXIYDPAJBGW-HXUWFJFHSA-N 1 3 331.504 1.897 20 0 EDADHO CC(C)CN1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639432506 451867938 /nfs/dbraw/zinc/86/79/38/451867938.db2.gz HNAQXIYDPAJBGW-HXUWFJFHSA-N 1 3 331.504 1.897 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000653417673 451928919 /nfs/dbraw/zinc/92/89/19/451928919.db2.gz SILQLFYXHAJYLG-HNNXBMFYSA-N 1 3 334.468 1.537 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646914960 451932779 /nfs/dbraw/zinc/93/27/79/451932779.db2.gz HAVJSBBHNQQXGH-PKOBYXMFSA-N 1 3 342.487 1.605 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC000646914960 451932782 /nfs/dbraw/zinc/93/27/82/451932782.db2.gz HAVJSBBHNQQXGH-PKOBYXMFSA-N 1 3 342.487 1.605 20 0 EDADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000649287857 451960159 /nfs/dbraw/zinc/96/01/59/451960159.db2.gz FFQDZMUPKBDAJZ-QZTJIDSGSA-N 1 3 331.460 1.453 20 0 EDADHO CCCN(C(=O)COCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649300584 451976902 /nfs/dbraw/zinc/97/69/02/451976902.db2.gz BNPGZDFLCFGODZ-GOSISDBHSA-N 1 3 333.476 1.865 20 0 EDADHO COc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@H](N)C1=O ZINC000649299343 451977161 /nfs/dbraw/zinc/97/71/61/451977161.db2.gz LJMCNDOJIXPVFW-AWEZNQCLSA-N 1 3 348.447 1.035 20 0 EDADHO CN1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981234 /nfs/dbraw/zinc/98/12/34/451981234.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 1 3 330.476 1.048 20 0 EDADHO CN1CC[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649305276 451981238 /nfs/dbraw/zinc/98/12/38/451981238.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 1 3 330.476 1.048 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982540 452009088 /nfs/dbraw/zinc/00/90/88/452009088.db2.gz WUODRSWGPIRKSM-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000647034970 452017203 /nfs/dbraw/zinc/01/72/03/452017203.db2.gz MQKNGAMQYSMMPR-IKGGRYGDSA-N 1 3 334.439 1.452 20 0 EDADHO O[C@@H](COC1CCOCC1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681951 452020624 /nfs/dbraw/zinc/02/06/24/452020624.db2.gz AZNFAAQJGHPIMX-QGZVFWFLSA-N 1 3 335.448 1.150 20 0 EDADHO [NH3+]C1CCC(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000649343629 452024289 /nfs/dbraw/zinc/02/42/89/452024289.db2.gz LBAZDABSDFKNQO-UHFFFAOYSA-N 1 3 345.487 1.777 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CCN(C2CC2)CC1 ZINC000649414915 452078631 /nfs/dbraw/zinc/07/86/31/452078631.db2.gz AAHXEZIZBOSYRF-MAUKXSAKSA-N 1 3 334.508 1.193 20 0 EDADHO Cc1ncc([C@H](C)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000637982037 452227586 /nfs/dbraw/zinc/22/75/86/452227586.db2.gz OUWDNWNCUFWQFF-AWEZNQCLSA-N 1 3 333.480 1.544 20 0 EDADHO N[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1F ZINC000659432497 452279458 /nfs/dbraw/zinc/27/94/58/452279458.db2.gz ZSIVCAYXMNVOCZ-QZTJIDSGSA-N 1 3 348.466 1.774 20 0 EDADHO CC(C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+]1CCC(C)CC1 ZINC000659435612 452281616 /nfs/dbraw/zinc/28/16/16/452281616.db2.gz ZABJZJXUVCBRGK-BZUAXINKSA-N 1 3 328.476 1.824 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536880 452301057 /nfs/dbraw/zinc/30/10/57/452301057.db2.gz XKWMHOBNZFRWRI-HZPDHXFCSA-N 1 3 335.473 1.443 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000665760732 452329636 /nfs/dbraw/zinc/32/96/36/452329636.db2.gz ODEMAXBKARMPAH-YXJHDRRASA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1 ZINC000665760732 452329643 /nfs/dbraw/zinc/32/96/43/452329643.db2.gz ODEMAXBKARMPAH-YXJHDRRASA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000645354262 452332364 /nfs/dbraw/zinc/33/23/64/452332364.db2.gz QUVGYUOYMRMDKB-HUUCEWRRSA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)CC1(F)F ZINC000665763964 452349808 /nfs/dbraw/zinc/34/98/08/452349808.db2.gz QEJOGPVHNBAOIA-DZGCQCFKSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@]1(C)CC1(F)F ZINC000665763964 452349815 /nfs/dbraw/zinc/34/98/15/452349815.db2.gz QEJOGPVHNBAOIA-DZGCQCFKSA-N 1 3 334.455 1.993 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659559630 452415795 /nfs/dbraw/zinc/41/57/95/452415795.db2.gz GHUVYCAJTFJSPO-GOSISDBHSA-N 1 3 346.475 1.459 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659565169 452419583 /nfs/dbraw/zinc/41/95/83/452419583.db2.gz FTKYNTUWTYYYTJ-UHFFFAOYSA-N 1 3 343.475 1.426 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000654380734 452431965 /nfs/dbraw/zinc/43/19/65/452431965.db2.gz GWFLRCPYTWHDOJ-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000654380734 452431971 /nfs/dbraw/zinc/43/19/71/452431971.db2.gz GWFLRCPYTWHDOJ-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659611719 452469408 /nfs/dbraw/zinc/46/94/08/452469408.db2.gz UAOQMNIFJDSEKF-ULQDDVLXSA-N 1 3 338.496 1.399 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659620156 452477397 /nfs/dbraw/zinc/47/73/97/452477397.db2.gz ICKPQBFIQIPYPQ-QZTJIDSGSA-N 1 3 348.491 1.426 20 0 EDADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000652351460 452527810 /nfs/dbraw/zinc/52/78/10/452527810.db2.gz YEQAXNMPBPLSKA-KSSFIOAISA-N 1 3 330.432 1.175 20 0 EDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000652351460 452527817 /nfs/dbraw/zinc/52/78/17/452527817.db2.gz YEQAXNMPBPLSKA-KSSFIOAISA-N 1 3 330.432 1.175 20 0 EDADHO c1cn2c(n1)[C@H](NCCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655713782 452530888 /nfs/dbraw/zinc/53/08/88/452530888.db2.gz VTMSENWCMFXBSR-GOSISDBHSA-N 1 3 340.475 1.915 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(C(C)(C)CC)CC1 ZINC000654528210 452606931 /nfs/dbraw/zinc/60/69/31/452606931.db2.gz PCOILTNRSNFELN-UHFFFAOYSA-N 1 3 342.528 1.861 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)ccc1CN(C)C ZINC000652634336 452791375 /nfs/dbraw/zinc/79/13/75/452791375.db2.gz ZSYFNPWBOVJBTR-UHFFFAOYSA-N 1 3 332.448 1.240 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000650760988 452976925 /nfs/dbraw/zinc/97/69/25/452976925.db2.gz QAODAYLFFNGDOF-DRZSPHRISA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650760988 452976934 /nfs/dbraw/zinc/97/69/34/452976934.db2.gz QAODAYLFFNGDOF-DRZSPHRISA-N 1 3 328.359 1.893 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256925 452984622 /nfs/dbraw/zinc/98/46/22/452984622.db2.gz KCNVIXYWJZTUDI-FUHWJXTLSA-N 1 3 343.471 1.649 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256925 452984629 /nfs/dbraw/zinc/98/46/29/452984629.db2.gz KCNVIXYWJZTUDI-FUHWJXTLSA-N 1 3 343.471 1.649 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256926 452986413 /nfs/dbraw/zinc/98/64/13/452986413.db2.gz KCNVIXYWJZTUDI-SJLPKXTDSA-N 1 3 343.471 1.649 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1)c1ccccc1 ZINC000662256926 452986423 /nfs/dbraw/zinc/98/64/23/452986423.db2.gz KCNVIXYWJZTUDI-SJLPKXTDSA-N 1 3 343.471 1.649 20 0 EDADHO Cc1cc(N2CC[C@H](N3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293556 453016135 /nfs/dbraw/zinc/01/61/35/453016135.db2.gz LWFGXAIOBRBQOQ-SJORKVTESA-N 1 3 345.491 1.545 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662312747 453030857 /nfs/dbraw/zinc/03/08/57/453030857.db2.gz DAQDWYXPEYJYQB-KDURUIRLSA-N 1 3 335.492 1.480 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000646042219 453044447 /nfs/dbraw/zinc/04/44/47/453044447.db2.gz YADYNEVPWVDVLT-KRWDZBQOSA-N 1 3 349.450 1.783 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCOC[C@@H]3C)CC2)CC1 ZINC000654933566 453046818 /nfs/dbraw/zinc/04/68/18/453046818.db2.gz YMBDJBIEGSYAOF-INIZCTEOSA-N 1 3 337.508 1.820 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106151 453110239 /nfs/dbraw/zinc/11/02/39/453110239.db2.gz PZFPHXWRUJEXKI-MJGOQNOKSA-N 1 3 331.460 1.345 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc2c(c1)COC2 ZINC000664485926 453135141 /nfs/dbraw/zinc/13/51/41/453135141.db2.gz CVMSIIMNNHSCQP-HNNXBMFYSA-N 1 3 348.491 1.788 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc2c(c1)COC2 ZINC000664485926 453135148 /nfs/dbraw/zinc/13/51/48/453135148.db2.gz CVMSIIMNNHSCQP-HNNXBMFYSA-N 1 3 348.491 1.788 20 0 EDADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000648614133 453163526 /nfs/dbraw/zinc/16/35/26/453163526.db2.gz ZPRRWNQSYWVZBZ-MOPGFXCFSA-N 1 3 333.476 1.532 20 0 EDADHO O=C(c1cnnn1C1CC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000662467514 453179167 /nfs/dbraw/zinc/17/91/67/453179167.db2.gz CSHHLWRYJFEREA-UHFFFAOYSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@H](CCNC(=O)NCc1ccnc(OCCN(C)C)c1)[NH+](C)C ZINC000664550856 453187280 /nfs/dbraw/zinc/18/72/80/453187280.db2.gz JDKQPIXUWKRVQM-CQSZACIVSA-N 1 3 337.468 1.161 20 0 EDADHO [NH3+]CCn1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)nn1 ZINC000662525678 453245109 /nfs/dbraw/zinc/24/51/09/453245109.db2.gz KPLWKSLBRXNSKG-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(s1)CCNC2 ZINC000662526608 453246358 /nfs/dbraw/zinc/24/63/58/453246358.db2.gz AZURZWJTZYDUPC-CQSZACIVSA-N 1 3 337.489 1.577 20 0 EDADHO CCCN1CC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000660385398 453262328 /nfs/dbraw/zinc/26/23/28/453262328.db2.gz HFQVPSXSBKTPJH-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000660385398 453262337 /nfs/dbraw/zinc/26/23/37/453262337.db2.gz HFQVPSXSBKTPJH-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000660385398 453262348 /nfs/dbraw/zinc/26/23/48/453262348.db2.gz HFQVPSXSBKTPJH-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000666971788 453287877 /nfs/dbraw/zinc/28/78/77/453287877.db2.gz HGLGNUYXEKJHMZ-DLBZAZTESA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NCc1ccccc1CN1CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106827 453290179 /nfs/dbraw/zinc/29/01/79/453290179.db2.gz NQXPOZNUIUOBTL-ICSRJNTNSA-N 1 3 343.471 1.525 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000664668313 453302755 /nfs/dbraw/zinc/30/27/55/453302755.db2.gz YZIMSVNDDGOMCS-HNNXBMFYSA-N 1 3 332.492 1.725 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1Cc2ccccc2C1 ZINC000664668313 453302759 /nfs/dbraw/zinc/30/27/59/453302759.db2.gz YZIMSVNDDGOMCS-HNNXBMFYSA-N 1 3 332.492 1.725 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000667048420 453364873 /nfs/dbraw/zinc/36/48/73/453364873.db2.gz QFFAYNSIQRAPOX-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO O=C1C[C@@H](CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536296 453383228 /nfs/dbraw/zinc/38/32/28/453383228.db2.gz GAJXUFKWIZTFRS-RTBURBONSA-N 1 3 342.487 1.015 20 0 EDADHO O=C1C[C@@H](CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536296 453383237 /nfs/dbraw/zinc/38/32/37/453383237.db2.gz GAJXUFKWIZTFRS-RTBURBONSA-N 1 3 342.487 1.015 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673802 453389954 /nfs/dbraw/zinc/38/99/54/453389954.db2.gz RKPUKLXUTKYFFY-MSOLQXFVSA-N 1 3 331.460 1.439 20 0 EDADHO C[C@H]1C[NH+](CCCCNC(=O)c2cc(C(C)(C)N)no2)C[C@H](C)O1 ZINC000662690375 453410625 /nfs/dbraw/zinc/41/06/25/453410625.db2.gz ZWUUWPKAEJNPIO-STQMWFEESA-N 1 3 338.452 1.488 20 0 EDADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299258 453420652 /nfs/dbraw/zinc/42/06/52/453420652.db2.gz XSJKWRJYVDQPEL-RBUKOAKNSA-N 1 3 343.471 1.176 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000662754553 453490658 /nfs/dbraw/zinc/49/06/58/453490658.db2.gz QOARMWDFXFVUPK-FUHWJXTLSA-N 1 3 346.475 1.439 20 0 EDADHO CN1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000662756525 453493558 /nfs/dbraw/zinc/49/35/58/453493558.db2.gz IOQQYIAUYRXNCC-KRWDZBQOSA-N 1 3 330.476 1.363 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444336 453532347 /nfs/dbraw/zinc/53/23/47/453532347.db2.gz BZKYNKCOZFCRCE-UYAOXDASSA-N 1 3 343.471 1.972 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664117 453548745 /nfs/dbraw/zinc/54/87/45/453548745.db2.gz YHYDMOXZUQLCDO-CGTJXYLNSA-N 1 3 330.476 1.798 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000667338871 453569058 /nfs/dbraw/zinc/56/90/58/453569058.db2.gz TZMGLIJDNLSCRV-GOSISDBHSA-N 1 3 334.508 1.988 20 0 EDADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858715 453574088 /nfs/dbraw/zinc/57/40/88/453574088.db2.gz HQGGEOJWQNLDLB-QZTJIDSGSA-N 1 3 345.487 1.648 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662860526 453575377 /nfs/dbraw/zinc/57/53/77/453575377.db2.gz SIWWITVXAAZZIE-BJLQDIEVSA-N 1 3 343.471 1.259 20 0 EDADHO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1(NC2CC2)CCC1 ZINC000662859882 453575526 /nfs/dbraw/zinc/57/55/26/453575526.db2.gz PPXUMXVXOBYLTJ-GOSISDBHSA-N 1 3 343.471 1.544 20 0 EDADHO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1(NC2CC2)CCC1 ZINC000662859882 453575533 /nfs/dbraw/zinc/57/55/33/453575533.db2.gz PPXUMXVXOBYLTJ-GOSISDBHSA-N 1 3 343.471 1.544 20 0 EDADHO C[NH+](C)CC1(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CCC1 ZINC000659041788 453595712 /nfs/dbraw/zinc/59/57/12/453595712.db2.gz IZFSZZJIDCEPBM-MRXNPFEDSA-N 1 3 332.448 1.953 20 0 EDADHO C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292961 453639466 /nfs/dbraw/zinc/63/94/66/453639466.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 1 3 341.459 1.641 20 0 EDADHO C[C@H](NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665292961 453639470 /nfs/dbraw/zinc/63/94/70/453639470.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 1 3 341.459 1.641 20 0 EDADHO Cc1ccccc1-n1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000665325404 453651656 /nfs/dbraw/zinc/65/16/56/453651656.db2.gz VDPVIPOBDOJDEF-UHFFFAOYSA-N 1 3 344.463 1.141 20 0 EDADHO COC[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000661157859 453740083 /nfs/dbraw/zinc/74/00/83/453740083.db2.gz JVJMYPJFPJUXOZ-GOSISDBHSA-N 1 3 327.513 1.434 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661209830 453760412 /nfs/dbraw/zinc/76/04/12/453760412.db2.gz LQNLBSVTQAPKTN-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661209830 453760414 /nfs/dbraw/zinc/76/04/14/453760414.db2.gz LQNLBSVTQAPKTN-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO Cc1ccncc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512906 453813453 /nfs/dbraw/zinc/81/34/53/453813453.db2.gz PURJHLSRESYDAJ-MRXNPFEDSA-N 1 3 340.475 1.902 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@@H](C)CO)CC1 ZINC000661432388 453817446 /nfs/dbraw/zinc/81/74/46/453817446.db2.gz BIIBQGOTBVRILR-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726548 486733011 /nfs/dbraw/zinc/73/30/11/486733011.db2.gz ROOIWZIHLAKCDQ-AWEZNQCLSA-N 1 3 340.489 1.682 20 0 EDADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687316 486761571 /nfs/dbraw/zinc/76/15/71/486761571.db2.gz KQKAOGRCLAKMIO-HOCLYGCPSA-N 1 3 334.468 1.535 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417815226 486814509 /nfs/dbraw/zinc/81/45/09/486814509.db2.gz SRIMKNYLRKFYTG-GDBMZVCRSA-N 1 3 326.485 1.445 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000683945207 486876138 /nfs/dbraw/zinc/87/61/38/486876138.db2.gz IRQIQXGGVXOWDV-UHFFFAOYSA-N 1 3 327.494 1.711 20 0 EDADHO CCn1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000667700086 486920562 /nfs/dbraw/zinc/92/05/62/486920562.db2.gz RDJPHGTUXAXXGY-OAHLLOKOSA-N 1 3 336.484 1.783 20 0 EDADHO CCn1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000667700086 486920565 /nfs/dbraw/zinc/92/05/65/486920565.db2.gz RDJPHGTUXAXXGY-OAHLLOKOSA-N 1 3 336.484 1.783 20 0 EDADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667797634 486968843 /nfs/dbraw/zinc/96/88/43/486968843.db2.gz SPIZUAAEILBMBQ-MRXNPFEDSA-N 1 3 347.463 1.302 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000673670669 487085588 /nfs/dbraw/zinc/08/55/88/487085588.db2.gz KAHJZWUOHIUJCP-PKOBYXMFSA-N 1 3 331.460 1.034 20 0 EDADHO CN(C)CCOc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccn1 ZINC000668070037 487088573 /nfs/dbraw/zinc/08/85/73/487088573.db2.gz VWIGBVQFWJOHKV-UHFFFAOYSA-N 1 3 348.491 1.968 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000673867167 487139585 /nfs/dbraw/zinc/13/95/85/487139585.db2.gz JXQAGFUBJBNCAN-MRXNPFEDSA-N 1 3 334.468 1.537 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992376 487178833 /nfs/dbraw/zinc/17/88/33/487178833.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992376 487178837 /nfs/dbraw/zinc/17/88/37/487178837.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992376 487178840 /nfs/dbraw/zinc/17/88/40/487178840.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992376 487178845 /nfs/dbraw/zinc/17/88/45/487178845.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 1 3 340.512 1.068 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000668982985 485524352 /nfs/dbraw/zinc/52/43/52/485524352.db2.gz HLIRAPHBSUHEQS-SFHVURJKSA-N 1 3 328.460 1.799 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000669529887 485504705 /nfs/dbraw/zinc/50/47/05/485504705.db2.gz HXJNRSUUYIOVEF-HNNXBMFYSA-N 1 3 326.485 1.400 20 0 EDADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC1C[NH2+]C1 ZINC000669581467 485628054 /nfs/dbraw/zinc/62/80/54/485628054.db2.gz JMRGCGDYZXYCSX-KRWDZBQOSA-N 1 3 330.476 1.806 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000669220999 485825290 /nfs/dbraw/zinc/82/52/90/485825290.db2.gz LRAHUPHCZUFXDP-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000669220999 485825297 /nfs/dbraw/zinc/82/52/97/485825297.db2.gz LRAHUPHCZUFXDP-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483564 486249264 /nfs/dbraw/zinc/24/92/64/486249264.db2.gz BGQZROMOSYVLCZ-SFHVURJKSA-N 1 3 348.491 1.749 20 0 EDADHO C(O[C@H]1CC[NH2+]C1)C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000530247585 517308355 /nfs/dbraw/zinc/30/83/55/517308355.db2.gz AXVCZEFLPHKRIY-AWEZNQCLSA-N 1 3 336.505 1.379 20 0 EDADHO CN1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561036 536455619 /nfs/dbraw/zinc/45/56/19/536455619.db2.gz SXOXFTLNQKFXJY-SJORKVTESA-N 1 3 346.475 1.188 20 0 EDADHO CC(C)[NH+]1CCN(CCCN2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000345854997 535199959 /nfs/dbraw/zinc/19/99/59/535199959.db2.gz XYGVLTHPXATLLN-QRVBRYPASA-N 1 3 339.524 1.264 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000353105871 535331669 /nfs/dbraw/zinc/33/16/69/535331669.db2.gz AEUFRHUKCMRUSY-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000237194368 535905166 /nfs/dbraw/zinc/90/51/66/535905166.db2.gz PTTPEYKFRDJWRF-LJQANCHMSA-N 1 3 341.455 1.986 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000262144517 536036563 /nfs/dbraw/zinc/03/65/63/536036563.db2.gz HKGQGSZNFHHPRB-UHFFFAOYSA-N 1 3 327.432 1.662 20 0 EDADHO CCCCCCN(C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732834646 578732441 /nfs/dbraw/zinc/73/24/41/578732441.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCCCCCN(C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732834646 578732442 /nfs/dbraw/zinc/73/24/42/578732442.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO O[C@@H](CN1CCCC1)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000732871934 578733682 /nfs/dbraw/zinc/73/36/82/578733682.db2.gz NVFGEXMHFNDNLS-INIZCTEOSA-N 1 3 329.448 1.365 20 0 EDADHO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000749325437 579721739 /nfs/dbraw/zinc/72/17/39/579721739.db2.gz TXUOCEXDWSCHII-QAPCUYQASA-N 1 3 343.512 1.972 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000768478336 580214483 /nfs/dbraw/zinc/21/44/83/580214483.db2.gz BSUAJFKFYVJKDX-LSDHHAIUSA-N 1 3 326.554 1.865 20 0 EDADHO Cc1nccn1CCCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771661186 580291952 /nfs/dbraw/zinc/29/19/52/580291952.db2.gz LSFRTAQCIXFHMB-UHFFFAOYSA-N 1 3 335.496 1.504 20 0 EDADHO CN(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000892400528 591012120 /nfs/dbraw/zinc/01/21/20/591012120.db2.gz SWUCLOLYXGRYDD-SJLPKXTDSA-N 1 3 330.476 1.825 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892438866 591028758 /nfs/dbraw/zinc/02/87/58/591028758.db2.gz JICQXTNOKDJGFT-WKILWMFISA-N 1 3 339.528 1.219 20 0 EDADHO CC[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000891346558 591052518 /nfs/dbraw/zinc/05/25/18/591052518.db2.gz CRAQBOVGNJBTBQ-FHLIZLRMSA-N 1 3 330.476 1.860 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891457145 591078732 /nfs/dbraw/zinc/07/87/32/591078732.db2.gz WYTNKZYSJQHBHJ-QFBILLFUSA-N 1 3 346.475 1.378 20 0 EDADHO O=S1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000892756624 591162056 /nfs/dbraw/zinc/16/20/56/591162056.db2.gz FDYILPUBLICJAJ-UHFFFAOYSA-N 1 3 336.505 1.094 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673025 591178768 /nfs/dbraw/zinc/17/87/68/591178768.db2.gz GNMIKHOOCOHMCH-FZKQIMNGSA-N 1 3 328.460 1.614 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892789224 591179415 /nfs/dbraw/zinc/17/94/15/591179415.db2.gz MFCRWQYEHUZUQH-IEBWSBKVSA-N 1 3 328.460 1.486 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892803379 591182744 /nfs/dbraw/zinc/18/27/44/591182744.db2.gz RLBUJQTUDBOYRM-GBESFXJTSA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892803379 591182747 /nfs/dbraw/zinc/18/27/47/591182747.db2.gz RLBUJQTUDBOYRM-GBESFXJTSA-N 1 3 342.487 1.827 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242617 591242535 /nfs/dbraw/zinc/24/25/35/591242535.db2.gz QGTHQJGTVMODDV-QGZVFWFLSA-N 1 3 330.476 1.722 20 0 EDADHO C[NH+](C)C1(CNC(=O)NCCN2CCC(C)(C)C2)CCOCC1 ZINC000892971683 591243852 /nfs/dbraw/zinc/24/38/52/591243852.db2.gz BYQCCPWFWLOEHP-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895712602 591258675 /nfs/dbraw/zinc/25/86/75/591258675.db2.gz AOUIOQDTMNQQEK-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895712602 591258676 /nfs/dbraw/zinc/25/86/76/591258676.db2.gz AOUIOQDTMNQQEK-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO CN(CCCN(C)Cc1c2c(nn1C)CCSC2)CC[NH+](C)C ZINC000894786477 591418019 /nfs/dbraw/zinc/41/80/19/591418019.db2.gz JBRAHRZWHQGZDQ-UHFFFAOYSA-N 1 3 339.553 1.525 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483236 591489401 /nfs/dbraw/zinc/48/94/01/591489401.db2.gz MRHKKMPRGLBQCP-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3C)CC[NH+](C)CC1 ZINC000894951253 591496846 /nfs/dbraw/zinc/49/68/46/591496846.db2.gz JQIMYBBGLJHIJE-LSDHHAIUSA-N 1 3 340.537 1.692 20 0 EDADHO COc1c[nH]c(CO)c(CN2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000902210416 591946212 /nfs/dbraw/zinc/94/62/12/591946212.db2.gz ITGRQJNOVLPBLT-UHFFFAOYSA-N 1 3 337.464 1.430 20 0 EDADHO CN1CCN(C)[C@H](CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345482 591977215 /nfs/dbraw/zinc/97/72/15/591977215.db2.gz DGGLEMGRXWNPAC-QAPCUYQASA-N 1 3 340.462 1.970 20 0 EDADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900411241 592011582 /nfs/dbraw/zinc/01/15/82/592011582.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 1 3 325.497 1.556 20 0 EDADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900411241 592011585 /nfs/dbraw/zinc/01/15/85/592011585.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 1 3 325.497 1.556 20 0 EDADHO CNc1nc(C)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000900446919 592020023 /nfs/dbraw/zinc/02/00/23/592020023.db2.gz SSFPFEMCDVJCLB-UHFFFAOYSA-N 1 3 345.491 1.720 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900466349 592026284 /nfs/dbraw/zinc/02/62/84/592026284.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 1 3 325.497 1.604 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900466349 592026287 /nfs/dbraw/zinc/02/62/87/592026287.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H](NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902805927 592063298 /nfs/dbraw/zinc/06/32/98/592063298.db2.gz HCEIFNWXEVWANI-VNQPRFMTSA-N 1 3 346.431 1.225 20 0 EDADHO C[C@@H](NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902805927 592063301 /nfs/dbraw/zinc/06/33/01/592063301.db2.gz HCEIFNWXEVWANI-VNQPRFMTSA-N 1 3 346.431 1.225 20 0 EDADHO CN(C(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902811507 592068825 /nfs/dbraw/zinc/06/88/25/592068825.db2.gz XFLYQZNRHAFKGI-LSDHHAIUSA-N 1 3 332.404 1.011 20 0 EDADHO CN(C(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902811507 592068828 /nfs/dbraw/zinc/06/88/28/592068828.db2.gz XFLYQZNRHAFKGI-LSDHHAIUSA-N 1 3 332.404 1.011 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000900735974 592113168 /nfs/dbraw/zinc/11/31/68/592113168.db2.gz VLZUDOUDYMHCJQ-QGZVFWFLSA-N 1 3 340.556 1.885 20 0 EDADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903091712 592121529 /nfs/dbraw/zinc/12/15/29/592121529.db2.gz ZBVPWTIPFGEQOY-VQTJNVASSA-N 1 3 346.471 1.681 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900978198 592183845 /nfs/dbraw/zinc/18/38/45/592183845.db2.gz DNXZDQLEAYVJKT-UHFFFAOYSA-N 1 3 349.523 1.933 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509405 592189934 /nfs/dbraw/zinc/18/99/34/592189934.db2.gz IBERVUDCPBOKPS-OIISXLGYSA-N 1 3 336.524 1.580 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509405 592189936 /nfs/dbraw/zinc/18/99/36/592189936.db2.gz IBERVUDCPBOKPS-OIISXLGYSA-N 1 3 336.524 1.580 20 0 EDADHO C[C@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510809 592190566 /nfs/dbraw/zinc/19/05/66/592190566.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 1 3 348.535 1.534 20 0 EDADHO C[C@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510809 592190567 /nfs/dbraw/zinc/19/05/67/592190567.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 1 3 348.535 1.534 20 0 EDADHO CCCCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)no1 ZINC000903510432 592190687 /nfs/dbraw/zinc/19/06/87/592190687.db2.gz PLVFORLWVJIIQR-IYBDPMFKSA-N 1 3 333.480 1.813 20 0 EDADHO CCCCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)no1 ZINC000903510432 592190689 /nfs/dbraw/zinc/19/06/89/592190689.db2.gz PLVFORLWVJIIQR-IYBDPMFKSA-N 1 3 333.480 1.813 20 0 EDADHO C[C@@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510911 592190854 /nfs/dbraw/zinc/19/08/54/592190854.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510911 592190856 /nfs/dbraw/zinc/19/08/56/592190856.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 1 3 348.535 1.678 20 0 EDADHO CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906651106 592234747 /nfs/dbraw/zinc/23/47/47/592234747.db2.gz POGHGFHXUVDTPI-OAHLLOKOSA-N 1 3 332.448 1.275 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cn1 ZINC000904359862 592238082 /nfs/dbraw/zinc/23/80/82/592238082.db2.gz FZXIVYROSGTHEN-UHFFFAOYSA-N 1 3 336.484 1.674 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663040 592244808 /nfs/dbraw/zinc/24/48/08/592244808.db2.gz CCUAGWXZSVOFQA-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906663040 592244811 /nfs/dbraw/zinc/24/48/11/592244811.db2.gz CCUAGWXZSVOFQA-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO CCc1noc([C@@H]2CC[C@H]([NH2+]C[C@H](CN)Cc3cnn(C)c3C)C2)n1 ZINC000904428697 592253632 /nfs/dbraw/zinc/25/36/32/592253632.db2.gz PIDAQWMPJCZYFQ-LZWOXQAQSA-N 1 3 346.479 1.717 20 0 EDADHO CCc1noc([C@@H]2CC[C@H](NC[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000904428697 592253638 /nfs/dbraw/zinc/25/36/38/592253638.db2.gz PIDAQWMPJCZYFQ-LZWOXQAQSA-N 1 3 346.479 1.717 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904430904 592254879 /nfs/dbraw/zinc/25/48/79/592254879.db2.gz NOTUSRVZJBOPNH-UHFFFAOYSA-N 1 3 334.464 1.762 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000904529385 592279890 /nfs/dbraw/zinc/27/98/90/592279890.db2.gz HAXOWFFOFFFZFG-CQSZACIVSA-N 1 3 334.468 1.804 20 0 EDADHO O=C(CC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)NC1CCCC1 ZINC000903725350 592285347 /nfs/dbraw/zinc/28/53/47/592285347.db2.gz BFVAVXXYNURBQK-ICSRJNTNSA-N 1 3 349.519 1.916 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713263 592291302 /nfs/dbraw/zinc/29/13/02/592291302.db2.gz KVOBUIDIRXYLTN-GFCCVEGCSA-N 1 3 343.830 1.645 20 0 EDADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753571 592296939 /nfs/dbraw/zinc/29/69/39/592296939.db2.gz WKSMYIHECWNQNR-HDMKZQKVSA-N 1 3 331.464 1.630 20 0 EDADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000903737317 592300933 /nfs/dbraw/zinc/30/09/33/592300933.db2.gz RAXNXMMEAWWHQE-CRAIPNDOSA-N 1 3 331.464 1.172 20 0 EDADHO Cc1nc(CN(C)[C@@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741689 592302749 /nfs/dbraw/zinc/30/27/49/592302749.db2.gz RLYIZXSELULUJT-CVEARBPZSA-N 1 3 349.479 1.043 20 0 EDADHO COCCOCCOCCN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903768761 592309706 /nfs/dbraw/zinc/30/97/06/592309706.db2.gz QHDIWWWBDADHHM-BRWVUGGUSA-N 1 3 330.469 1.027 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000901276980 592310642 /nfs/dbraw/zinc/31/06/42/592310642.db2.gz SPXNWAOOXQBPHS-SFHVURJKSA-N 1 3 325.497 1.414 20 0 EDADHO O=C1CCCCN1C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756017 592313736 /nfs/dbraw/zinc/31/37/36/592313736.db2.gz ODOBEIVUHJEAEQ-KRWDZBQOSA-N 1 3 335.492 1.622 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@H]2C1 ZINC000908096751 592314363 /nfs/dbraw/zinc/31/43/63/592314363.db2.gz LUUYXMGEPURLJH-IRXDYDNUSA-N 1 3 342.443 1.836 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(C2CCCCC2)CC1 ZINC000903878297 592359252 /nfs/dbraw/zinc/35/92/52/592359252.db2.gz FTRNFSZYDIDCMH-QGZVFWFLSA-N 1 3 332.496 1.653 20 0 EDADHO CN(CCN1CCN(C[C@@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892349 592363680 /nfs/dbraw/zinc/36/36/80/592363680.db2.gz RFCVPSZAMUDAJN-KRWDZBQOSA-N 1 3 340.462 1.719 20 0 EDADHO COC(=O)[C@@H]1CC12CCN(C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903908514 592373962 /nfs/dbraw/zinc/37/39/62/592373962.db2.gz KIHXMYLEBSBISV-HOCLYGCPSA-N 1 3 334.464 1.121 20 0 EDADHO COc1cccc(OCCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903921097 592378337 /nfs/dbraw/zinc/37/83/37/592378337.db2.gz MYINVGATNDFYFQ-OAHLLOKOSA-N 1 3 345.447 1.770 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCCn1cnc2ccccc21 ZINC000903922751 592378434 /nfs/dbraw/zinc/37/84/34/592378434.db2.gz DKNCQKUGHGIHEJ-AWEZNQCLSA-N 1 3 325.420 1.342 20 0 EDADHO CC(C)[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927807 592381127 /nfs/dbraw/zinc/38/11/27/592381127.db2.gz UDHLUITWVUXEHD-RDJZCZTQSA-N 1 3 335.496 1.870 20 0 EDADHO NC[C@H]1c2ccccc2CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903931430 592384225 /nfs/dbraw/zinc/38/42/25/592384225.db2.gz DORGOZUPPSKYIO-QAPCUYQASA-N 1 3 326.448 1.261 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917529 592390852 /nfs/dbraw/zinc/39/08/52/592390852.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 1 3 330.480 1.237 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917529 592390855 /nfs/dbraw/zinc/39/08/55/592390855.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 1 3 330.480 1.237 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905108793 592410019 /nfs/dbraw/zinc/41/00/19/592410019.db2.gz BXPOUVAMYXRZRL-GOSISDBHSA-N 1 3 341.540 1.440 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)C[C@]2(O)CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151949 592441490 /nfs/dbraw/zinc/44/14/90/592441490.db2.gz DCFXPQJLOZHOJF-VBSBHUPXSA-N 1 3 348.487 1.532 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)C[C@]2(O)CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000905151949 592441493 /nfs/dbraw/zinc/44/14/93/592441493.db2.gz DCFXPQJLOZHOJF-VBSBHUPXSA-N 1 3 348.487 1.532 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cc2)CC1 ZINC000904282077 592468539 /nfs/dbraw/zinc/46/85/39/592468539.db2.gz QBNYCUUGOYYKOK-BPQIPLTHSA-N 1 3 343.475 1.843 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503038 592546288 /nfs/dbraw/zinc/54/62/88/592546288.db2.gz MUEXGYNFVXPWHT-GFEQUFNTSA-N 1 3 336.451 1.928 20 0 EDADHO CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504491 592547018 /nfs/dbraw/zinc/54/70/18/592547018.db2.gz XMVKPGMUGRDABK-YYWYGQEZSA-N 1 3 328.497 1.233 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000910424940 592861719 /nfs/dbraw/zinc/86/17/19/592861719.db2.gz NRIWFLFRFAQEDT-UHFFFAOYSA-N 1 3 333.432 1.670 20 0 EDADHO COc1cc(OCC[NH+](C)C)ccc1NC(=O)C12CCN(CC1)C2 ZINC000910424940 592861720 /nfs/dbraw/zinc/86/17/20/592861720.db2.gz NRIWFLFRFAQEDT-UHFFFAOYSA-N 1 3 333.432 1.670 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906645771 592865909 /nfs/dbraw/zinc/86/59/09/592865909.db2.gz NAIXQMSMHNCTQP-HNNXBMFYSA-N 1 3 346.475 1.712 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906645771 592865910 /nfs/dbraw/zinc/86/59/10/592865910.db2.gz NAIXQMSMHNCTQP-HNNXBMFYSA-N 1 3 346.475 1.712 20 0 EDADHO C[C@@H](NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000911727625 592989516 /nfs/dbraw/zinc/98/95/16/592989516.db2.gz YHOLKJSZQVZZJY-NQBHXWOUSA-N 1 3 343.393 1.868 20 0 EDADHO N[C@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911739338 592993807 /nfs/dbraw/zinc/99/38/07/592993807.db2.gz VHYJVDYIZOOJRD-STQMWFEESA-N 1 3 326.238 1.269 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911762526 592999485 /nfs/dbraw/zinc/99/94/85/592999485.db2.gz PLPILAXQVBLVAQ-GFCCVEGCSA-N 1 3 331.382 1.868 20 0 EDADHO CCCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000911765566 593000166 /nfs/dbraw/zinc/00/01/66/593000166.db2.gz CDTZKXRSDFIIHS-CHWSQXEVSA-N 1 3 343.393 1.964 20 0 EDADHO C[C@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@H](C)N1 ZINC000911801094 593012716 /nfs/dbraw/zinc/01/27/16/593012716.db2.gz YHQCRQKMQIJKLE-JBLDHEPKSA-N 1 3 329.366 1.573 20 0 EDADHO CC1(C)CNCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911848378 593025557 /nfs/dbraw/zinc/02/55/57/593025557.db2.gz TWTNLHZBYXHSOR-LLVKDONJSA-N 1 3 329.366 1.574 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C)CC1 ZINC000912489311 593098716 /nfs/dbraw/zinc/09/87/16/593098716.db2.gz IBNULQFPLAZJSG-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000103213134 593220686 /nfs/dbraw/zinc/22/06/86/593220686.db2.gz ZFTCIDQEAOGQMU-QGZVFWFLSA-N 1 3 332.448 1.456 20 0 EDADHO CCOC(=O)CC(C)(C)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000838853105 593225666 /nfs/dbraw/zinc/22/56/66/593225666.db2.gz IVLBDEUHCUAWMO-DLBZAZTESA-N 1 3 339.524 1.924 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnsn1 ZINC000839116553 593263996 /nfs/dbraw/zinc/26/39/96/593263996.db2.gz SGJOVKXRNGIORB-LBPRGKRZSA-N 1 3 326.470 1.418 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnsn1 ZINC000839116553 593263999 /nfs/dbraw/zinc/26/39/99/593263999.db2.gz SGJOVKXRNGIORB-LBPRGKRZSA-N 1 3 326.470 1.418 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000809672054 593353950 /nfs/dbraw/zinc/35/39/50/593353950.db2.gz KBPMKPOKQJALAC-ZACQAIPSSA-N 1 3 328.412 1.891 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1C[C@@H](c2ccccc2)OC1=O ZINC000809672054 593353952 /nfs/dbraw/zinc/35/39/52/593353952.db2.gz KBPMKPOKQJALAC-ZACQAIPSSA-N 1 3 328.412 1.891 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](CCC3OCCCO3)CC2)CC1 ZINC000761121906 593411940 /nfs/dbraw/zinc/41/19/40/593411940.db2.gz IEBYSNYHOSVHNL-UHFFFAOYSA-N 1 3 325.497 1.630 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888468 593645084 /nfs/dbraw/zinc/64/50/84/593645084.db2.gz GHGKDIMFHYSPNT-PWSUYJOCSA-N 1 3 343.415 1.136 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894090 593646255 /nfs/dbraw/zinc/64/62/55/593646255.db2.gz AAMOIGXOXKOCRI-ZLKJLUDKSA-N 1 3 326.824 1.862 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819174090 593742758 /nfs/dbraw/zinc/74/27/58/593742758.db2.gz OHUWKTQHZDHLBC-KZNAEPCWSA-N 1 3 340.414 1.966 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccc(F)cn2)ccn1 ZINC000819195372 593743832 /nfs/dbraw/zinc/74/38/32/593743832.db2.gz BKJIHMDPIKBIKF-MRXNPFEDSA-N 1 3 334.395 1.379 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000819220264 593745040 /nfs/dbraw/zinc/74/50/40/593745040.db2.gz KZNOGIQZPWOLPQ-DZGCQCFKSA-N 1 3 327.469 1.502 20 0 EDADHO CC(C)N1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000820074064 593788727 /nfs/dbraw/zinc/78/87/27/593788727.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 1 3 341.544 1.384 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccsc1 ZINC000820075441 593789046 /nfs/dbraw/zinc/78/90/46/593789046.db2.gz XMLNSXRUUBKCFX-ZFWWWQNUSA-N 1 3 342.509 1.353 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H](O)c1ccsc1 ZINC000820075441 593789045 /nfs/dbraw/zinc/78/90/45/593789045.db2.gz XMLNSXRUUBKCFX-ZFWWWQNUSA-N 1 3 342.509 1.353 20 0 EDADHO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(CN(C)C)c1 ZINC000820829854 593899265 /nfs/dbraw/zinc/89/92/65/593899265.db2.gz NBNSWIUEMVWESQ-ZBFHGGJFSA-N 1 3 339.505 1.680 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451089 594014986 /nfs/dbraw/zinc/01/49/86/594014986.db2.gz GYTCSBAWOPNIEM-QGZVFWFLSA-N 1 3 347.459 1.901 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@H]([NH3+])C3CC3)ccc2oc1=O ZINC000827906376 594301448 /nfs/dbraw/zinc/30/14/48/594301448.db2.gz LQDDWOFXMWHURU-ZDUSSCGKSA-N 1 3 332.404 1.222 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139308 594349961 /nfs/dbraw/zinc/34/99/61/594349961.db2.gz PNSBOJZKRDAEGA-RDJZCZTQSA-N 1 3 344.459 1.450 20 0 EDADHO CCO[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)CN(C)C ZINC000831744246 594698498 /nfs/dbraw/zinc/69/84/98/594698498.db2.gz NFGISCIULPHDLX-KRWDZBQOSA-N 1 3 348.491 1.689 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000841897544 594976287 /nfs/dbraw/zinc/97/62/87/594976287.db2.gz ZRRRJFXCUBQCME-IEBWSBKVSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@]1(CNC(=O)N2CCCNCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898571 594976770 /nfs/dbraw/zinc/97/67/70/594976770.db2.gz OAZPIDGFOZUVHO-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO C[C@@]1(CNC(=O)N2CCCNCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898571 594976771 /nfs/dbraw/zinc/97/67/71/594976771.db2.gz OAZPIDGFOZUVHO-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966529 594991157 /nfs/dbraw/zinc/99/11/57/594991157.db2.gz FFHBIXQGHMBRKU-IBGZPJMESA-N 1 3 346.475 1.146 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842244087 595052401 /nfs/dbraw/zinc/05/24/01/595052401.db2.gz GOCITCDNTZFDSJ-QGZVFWFLSA-N 1 3 348.491 1.196 20 0 EDADHO O[C@@H](c1ccc(Cl)cc1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000843358351 595087279 /nfs/dbraw/zinc/08/72/79/595087279.db2.gz LRFVXKKLANFQNF-SFHVURJKSA-N 1 3 337.895 1.991 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000843489987 595128096 /nfs/dbraw/zinc/12/80/96/595128096.db2.gz VDGJYIAPCFMKHJ-AWEZNQCLSA-N 1 3 342.871 1.470 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175145 595292495 /nfs/dbraw/zinc/29/24/95/595292495.db2.gz BEAGJSVOEBBUBK-NXHRZFHOSA-N 1 3 331.460 1.707 20 0 EDADHO CSCC[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183325 595294951 /nfs/dbraw/zinc/29/49/51/595294951.db2.gz XSQZFINHCVBJNN-HNNXBMFYSA-N 1 3 325.478 1.670 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)C2CCN(C3CC3)CC2)C1 ZINC000846698155 595303733 /nfs/dbraw/zinc/30/37/33/595303733.db2.gz CJPPZMDEONQWJB-BPQIPLTHSA-N 1 3 335.492 1.748 20 0 EDADHO CCn1ncnc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849093964 595480618 /nfs/dbraw/zinc/48/06/18/595480618.db2.gz RNZDMROHHQNIER-UHFFFAOYSA-N 1 3 341.463 1.577 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495276 595550725 /nfs/dbraw/zinc/55/07/25/595550725.db2.gz BSMHRRBWTMQHBS-ZWKOTPCHSA-N 1 3 347.507 1.448 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849583359 595581482 /nfs/dbraw/zinc/58/14/82/595581482.db2.gz SVCZKXQGOADOEO-QZTJIDSGSA-N 1 3 349.523 1.646 20 0 EDADHO NC[C@@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)=NO1 ZINC000852864170 595584762 /nfs/dbraw/zinc/58/47/62/595584762.db2.gz YELYUYZSYJQACL-KRWDZBQOSA-N 1 3 344.459 1.782 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852865195 595584994 /nfs/dbraw/zinc/58/49/94/595584994.db2.gz UPBFYDYTOONEBE-KRWDZBQOSA-N 1 3 344.459 1.461 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852865195 595584996 /nfs/dbraw/zinc/58/49/96/595584996.db2.gz UPBFYDYTOONEBE-KRWDZBQOSA-N 1 3 344.459 1.461 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@@H+]1Cc1ccccc1 ZINC000852865755 595585748 /nfs/dbraw/zinc/58/57/48/595585748.db2.gz OCSXWCQVGPCFJB-FVQBIDKESA-N 1 3 330.432 1.259 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC[N@H+]1Cc1ccccc1 ZINC000852865755 595585750 /nfs/dbraw/zinc/58/57/50/595585750.db2.gz OCSXWCQVGPCFJB-FVQBIDKESA-N 1 3 330.432 1.259 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000852902093 595606877 /nfs/dbraw/zinc/60/68/77/595606877.db2.gz AIEBVPQCWHIRQB-SFHVURJKSA-N 1 3 329.444 1.179 20 0 EDADHO C[NH+]1CCC(CNC(=S)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000853030633 595646236 /nfs/dbraw/zinc/64/62/36/595646236.db2.gz ZGXQSMWPHDOHER-MRXNPFEDSA-N 1 3 340.537 1.046 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000855346763 595682219 /nfs/dbraw/zinc/68/22/19/595682219.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 1 3 344.519 1.587 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(C2CC2)no1 ZINC000853459023 595756110 /nfs/dbraw/zinc/75/61/10/595756110.db2.gz AUYVPNZUDJCIHL-LBPRGKRZSA-N 1 3 338.456 1.018 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(C2CC2)no1 ZINC000853459023 595756112 /nfs/dbraw/zinc/75/61/12/595756112.db2.gz AUYVPNZUDJCIHL-LBPRGKRZSA-N 1 3 338.456 1.018 20 0 EDADHO COC(=O)N(C)CCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000850390217 595825659 /nfs/dbraw/zinc/82/56/59/595825659.db2.gz QRDMMQMISFFXRN-UHFFFAOYSA-N 1 3 335.448 1.949 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000859212406 596005718 /nfs/dbraw/zinc/00/57/18/596005718.db2.gz JCRUKXDKAHNFQV-HXUWFJFHSA-N 1 3 341.455 1.553 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000861540764 596020735 /nfs/dbraw/zinc/02/07/35/596020735.db2.gz XXRPSYMFULMGRU-CQSZACIVSA-N 1 3 332.448 1.417 20 0 EDADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000864609862 596281418 /nfs/dbraw/zinc/28/14/18/596281418.db2.gz GZCKLRJXAKGKBZ-ZDUSSCGKSA-N 1 3 344.500 1.145 20 0 EDADHO Cc1ccc(OCCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706809 596301875 /nfs/dbraw/zinc/30/18/75/596301875.db2.gz DNRHBGDYZAQOJR-UAGQMJEPSA-N 1 3 331.416 1.241 20 0 EDADHO O=C(NCCNc1ccncc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870870386 596384437 /nfs/dbraw/zinc/38/44/37/596384437.db2.gz SIHQNQWZLNNKHE-UHFFFAOYSA-N 1 3 331.445 1.269 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000870896510 596394138 /nfs/dbraw/zinc/39/41/38/596394138.db2.gz LBAZDABSDFKNQO-RZDIXWSQSA-N 1 3 345.487 1.777 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000862795807 596414490 /nfs/dbraw/zinc/41/44/90/596414490.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 1 3 347.507 1.304 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000862795807 596414491 /nfs/dbraw/zinc/41/44/91/596414491.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 1 3 347.507 1.304 20 0 EDADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000867657354 596484291 /nfs/dbraw/zinc/48/42/91/596484291.db2.gz FYAYEMMRKFSSHG-ZDUSSCGKSA-N 1 3 342.484 1.042 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc4c(cc[nH]c4=O)o3)C2)CC1 ZINC000865460355 596581860 /nfs/dbraw/zinc/58/18/60/596581860.db2.gz HXODKBYPXRRSDX-CYBMUJFWSA-N 1 3 330.432 1.792 20 0 EDADHO CN(C)C1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC1 ZINC000119784112 596740857 /nfs/dbraw/zinc/74/08/57/596740857.db2.gz DRELQDKALPWCRS-UHFFFAOYSA-N 1 3 346.475 1.079 20 0 EDADHO COC(=O)CCNC(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157027 596815695 /nfs/dbraw/zinc/81/56/95/596815695.db2.gz MZSUDBFNBIXRFL-ZBFHGGJFSA-N 1 3 339.480 1.285 20 0 EDADHO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(C)CCCCCC[NH3+] ZINC000872155006 596815785 /nfs/dbraw/zinc/81/57/85/596815785.db2.gz JGKNIEVDTIVGQW-JKSUJKDBSA-N 1 3 349.475 1.782 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2cccnc2c1 ZINC000874381945 597050109 /nfs/dbraw/zinc/05/01/09/597050109.db2.gz DMGGAVFPCJBOEU-UHFFFAOYSA-N 1 3 328.460 1.729 20 0 EDADHO COC(=O)N1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873217805 597230307 /nfs/dbraw/zinc/23/03/07/597230307.db2.gz QQQBKTNROTYOCV-UHFFFAOYSA-N 1 3 344.419 1.046 20 0 EDADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)c1 ZINC000873267025 597243242 /nfs/dbraw/zinc/24/32/42/597243242.db2.gz VOBZZSBJDMDMKM-MTFMMBMASA-N 1 3 347.503 1.538 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000876781426 597339023 /nfs/dbraw/zinc/33/90/23/597339023.db2.gz LIBKFYMTCHNTDM-IJEWVQPXSA-N 1 3 331.464 1.471 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CCOC1C[NH2+]C1 ZINC000877031135 597417247 /nfs/dbraw/zinc/41/72/47/597417247.db2.gz QWAIAXWHHKAJIU-SJLPKXTDSA-N 1 3 329.444 1.508 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877358842 597500531 /nfs/dbraw/zinc/50/05/31/597500531.db2.gz DOFZZPYPRJXFDG-UONOGXRCSA-N 1 3 329.366 1.957 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525069 597530731 /nfs/dbraw/zinc/53/07/31/597530731.db2.gz PMVQSHYFGCHOMR-GOSISDBHSA-N 1 3 344.507 1.816 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525069 597530732 /nfs/dbraw/zinc/53/07/32/597530732.db2.gz PMVQSHYFGCHOMR-GOSISDBHSA-N 1 3 344.507 1.816 20 0 EDADHO c1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987080 597608147 /nfs/dbraw/zinc/60/81/47/597608147.db2.gz RVOBLXDKCCPFIZ-QGZVFWFLSA-N 1 3 330.476 1.589 20 0 EDADHO Cn1nc2c(c1CNCCN1CCC([NH+](C)C)CC1)CSCC2 ZINC000883027637 597623734 /nfs/dbraw/zinc/62/37/34/597623734.db2.gz IGYOZIFWOWNWNR-UHFFFAOYSA-N 1 3 337.537 1.325 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416497 597739287 /nfs/dbraw/zinc/73/92/87/597739287.db2.gz WHPTWKXKTHYULA-LSDHHAIUSA-N 1 3 329.448 1.538 20 0 EDADHO O=C(CC[N@@H+]1CCNCCC12CCC2)NC(=O)NCc1ccccc1 ZINC000883457703 597755953 /nfs/dbraw/zinc/75/59/53/597755953.db2.gz KWRXUFIUERYNOV-UHFFFAOYSA-N 1 3 344.459 1.621 20 0 EDADHO O=C(CC[N@H+]1CCNCCC12CCC2)NC(=O)NCc1ccccc1 ZINC000883457703 597755956 /nfs/dbraw/zinc/75/59/56/597755956.db2.gz KWRXUFIUERYNOV-UHFFFAOYSA-N 1 3 344.459 1.621 20 0 EDADHO CN1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378731 597951075 /nfs/dbraw/zinc/95/10/75/597951075.db2.gz HMEHJLXYMVPXAZ-SFHVURJKSA-N 1 3 345.487 1.614 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000884186044 598018391 /nfs/dbraw/zinc/01/83/91/598018391.db2.gz OPIJNPSBKVPGEF-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000884186044 598018394 /nfs/dbraw/zinc/01/83/94/598018394.db2.gz OPIJNPSBKVPGEF-YJBOKZPZSA-N 1 3 333.476 1.899 20 0 EDADHO COCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000884268374 598048813 /nfs/dbraw/zinc/04/88/13/598048813.db2.gz DSCZPLYFAGMFDH-OKZBNKHCSA-N 1 3 333.476 1.549 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325493 598067877 /nfs/dbraw/zinc/06/78/77/598067877.db2.gz RUZPDSDUNNXUNM-YOEHRIQHSA-N 1 3 330.476 1.969 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000917141270 696953305 /nfs/dbraw/zinc/95/33/05/696953305.db2.gz AAOKOXDVZNSFQE-WBVHZDCISA-N 1 3 343.537 1.512 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000917141270 696953308 /nfs/dbraw/zinc/95/33/08/696953308.db2.gz AAOKOXDVZNSFQE-WBVHZDCISA-N 1 3 343.537 1.512 20 0 EDADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669448 697464479 /nfs/dbraw/zinc/46/44/79/697464479.db2.gz KHPWVKAZTCWFQW-CVEARBPZSA-N 1 3 341.446 1.954 20 0 EDADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031669448 697464481 /nfs/dbraw/zinc/46/44/81/697464481.db2.gz KHPWVKAZTCWFQW-CVEARBPZSA-N 1 3 341.446 1.954 20 0 EDADHO C[C@@]1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CC[NH2+]C1 ZINC000237631286 698251746 /nfs/dbraw/zinc/25/17/46/698251746.db2.gz IKNIHVBAKUKVTM-LJQANCHMSA-N 1 3 331.460 1.829 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1)OC ZINC001032094325 698590533 /nfs/dbraw/zinc/59/05/33/698590533.db2.gz HGKBCOSIGDZHDF-KRWDZBQOSA-N 1 3 325.497 1.580 20 0 EDADHO CCc1onc(C)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063593 699130336 /nfs/dbraw/zinc/13/03/36/699130336.db2.gz ITPFPOLOTZINFK-CXAGYDPISA-N 1 3 348.491 1.824 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128755 699207454 /nfs/dbraw/zinc/20/74/54/699207454.db2.gz PBKBQNNSKYCDSQ-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939398635 699547765 /nfs/dbraw/zinc/54/77/65/699547765.db2.gz PMFMPOCJMSAVGC-ZBFHGGJFSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cc(F)cc(F)c1 ZINC000939543402 699684474 /nfs/dbraw/zinc/68/44/74/699684474.db2.gz COUIGNFDRJSWLY-SUMWQHHRSA-N 1 3 349.425 1.997 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)C1CC1 ZINC000940150551 700278479 /nfs/dbraw/zinc/27/84/79/700278479.db2.gz XMSCSQAGAMPVDW-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1)C1CCC1 ZINC000940154298 700284635 /nfs/dbraw/zinc/28/46/35/700284635.db2.gz UXAWYFNNRMZPLS-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327623 700504665 /nfs/dbraw/zinc/50/46/65/700504665.db2.gz LHCVLMKGQWQWNU-PBHICJAKSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327623 700504669 /nfs/dbraw/zinc/50/46/69/700504669.db2.gz LHCVLMKGQWQWNU-PBHICJAKSA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3ccn(C)n3)CC2)C1 ZINC000940327931 700505099 /nfs/dbraw/zinc/50/50/99/700505099.db2.gz AARHGECQBLOBFQ-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3ccn(C)n3)CC2)C1 ZINC000940327931 700505101 /nfs/dbraw/zinc/50/51/01/700505101.db2.gz AARHGECQBLOBFQ-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000940329499 700508947 /nfs/dbraw/zinc/50/89/47/700508947.db2.gz UTYMLQLFZVOXJJ-DLBZAZTESA-N 1 3 337.508 1.726 20 0 EDADHO Cc1oncc1C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000940329699 700509735 /nfs/dbraw/zinc/50/97/35/700509735.db2.gz XNBDAALRBXMVCQ-CQSZACIVSA-N 1 3 334.464 1.796 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cnnn3C)CC2)CC1 ZINC000940393169 700570022 /nfs/dbraw/zinc/57/00/22/700570022.db2.gz WITATXJFLHBNEF-UHFFFAOYSA-N 1 3 348.495 1.018 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472672 700658142 /nfs/dbraw/zinc/65/81/42/700658142.db2.gz OYGHKPUZFNUSSK-MRXNPFEDSA-N 1 3 348.495 1.160 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](CNCc3nccs3)C2)CC1 ZINC000995082791 700727029 /nfs/dbraw/zinc/72/70/29/700727029.db2.gz ZSLNBSXFTLASLN-HIFRSBDPSA-N 1 3 336.505 1.859 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736782 700877973 /nfs/dbraw/zinc/87/79/73/700877973.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 1 3 325.497 1.722 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736782 700877975 /nfs/dbraw/zinc/87/79/75/700877975.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 1 3 325.497 1.722 20 0 EDADHO Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC000995099860 700886245 /nfs/dbraw/zinc/88/62/45/700886245.db2.gz ARDREPQIESWRRV-HZPDHXFCSA-N 1 3 347.507 1.527 20 0 EDADHO O=C(N[C@@H]1CC[C@@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170182 701676571 /nfs/dbraw/zinc/67/65/71/701676571.db2.gz WJZDWPAZRDUCQO-CHWSQXEVSA-N 1 3 335.477 1.008 20 0 EDADHO Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN3CCC(C)(C)C3)C2)n1 ZINC000995100965 700890398 /nfs/dbraw/zinc/89/03/98/700890398.db2.gz DUBOHDSZMXNJKQ-HOTGVXAUSA-N 1 3 347.507 1.527 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756684 700892039 /nfs/dbraw/zinc/89/20/39/700892039.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 1 3 347.507 1.440 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCn3cccn3)CC2(C)C)CC[N@H+]1C ZINC000940756684 700892040 /nfs/dbraw/zinc/89/20/40/700892040.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 1 3 347.507 1.440 20 0 EDADHO C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518407 706602408 /nfs/dbraw/zinc/60/24/08/706602408.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 1 3 325.472 1.999 20 0 EDADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518407 706602411 /nfs/dbraw/zinc/60/24/11/706602411.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 1 3 325.472 1.999 20 0 EDADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206523 702150582 /nfs/dbraw/zinc/15/05/82/702150582.db2.gz CNHUWQWQMYQMOT-MAUKXSAKSA-N 1 3 345.487 1.977 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)N(C)C ZINC000995945199 702291010 /nfs/dbraw/zinc/29/10/10/702291010.db2.gz DVKGALYZFZDRMH-CVEARBPZSA-N 1 3 335.496 1.129 20 0 EDADHO C[C@H]1CN(Cc2cccnc2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153627 702442151 /nfs/dbraw/zinc/44/21/51/702442151.db2.gz IKBIMOPDWLFMKB-RDJZCZTQSA-N 1 3 328.460 1.504 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999230897 706679030 /nfs/dbraw/zinc/67/90/30/706679030.db2.gz GADQWYDPUFCSOK-OPQOLIRYSA-N 1 3 331.460 1.393 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560995 702874954 /nfs/dbraw/zinc/87/49/54/702874954.db2.gz MQPLDBCICWHXBS-MRXNPFEDSA-N 1 3 332.448 1.405 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)nn1C ZINC000996560481 702878517 /nfs/dbraw/zinc/87/85/17/702878517.db2.gz IKYAVJSJPUYAOJ-SFHVURJKSA-N 1 3 345.491 1.151 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996606359 702909778 /nfs/dbraw/zinc/90/97/78/702909778.db2.gz GKMJSVILJQAZFN-RHSMWYFYSA-N 1 3 333.480 1.324 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996606359 702909780 /nfs/dbraw/zinc/90/97/80/702909780.db2.gz GKMJSVILJQAZFN-RHSMWYFYSA-N 1 3 333.480 1.324 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996609614 702920680 /nfs/dbraw/zinc/92/06/80/702920680.db2.gz VWIKYUGZFXHVLL-YWPYICTPSA-N 1 3 334.468 1.095 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996609614 702920682 /nfs/dbraw/zinc/92/06/82/702920682.db2.gz VWIKYUGZFXHVLL-YWPYICTPSA-N 1 3 334.468 1.095 20 0 EDADHO COc1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)ccn1 ZINC000996617355 702924418 /nfs/dbraw/zinc/92/44/18/702924418.db2.gz UVAYZTJOSVKMBA-JKSUJKDBSA-N 1 3 346.475 1.369 20 0 EDADHO COc1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)ccn1 ZINC000996617355 702924421 /nfs/dbraw/zinc/92/44/21/702924421.db2.gz UVAYZTJOSVKMBA-JKSUJKDBSA-N 1 3 346.475 1.369 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996625095 702928977 /nfs/dbraw/zinc/92/89/77/702928977.db2.gz ZCQKSVJHFKPHDH-OALUTQOASA-N 1 3 347.503 1.931 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cn1 ZINC000996679045 702977818 /nfs/dbraw/zinc/97/78/18/702977818.db2.gz POZKRBSASKINLS-SFHVURJKSA-N 1 3 347.507 1.366 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC000997004491 703261566 /nfs/dbraw/zinc/26/15/66/703261566.db2.gz DIZBZAFHDIVNMB-HOCLYGCPSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997008015 703265498 /nfs/dbraw/zinc/26/54/98/703265498.db2.gz TZZUEQJPTZXXEC-CYBMUJFWSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997008015 703265499 /nfs/dbraw/zinc/26/54/99/703265499.db2.gz TZZUEQJPTZXXEC-CYBMUJFWSA-N 1 3 336.505 1.874 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)n1 ZINC000997009344 703270148 /nfs/dbraw/zinc/27/01/48/703270148.db2.gz ZTCJGTAHLYSDGR-HNNXBMFYSA-N 1 3 346.475 1.513 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC1 ZINC000997116321 703370149 /nfs/dbraw/zinc/37/01/49/703370149.db2.gz WEUMEOZFLGLNLM-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCC(NCc3ccn(C)n3)CC2)CC1 ZINC000997141028 703402463 /nfs/dbraw/zinc/40/24/63/703402463.db2.gz WARYQICJFILFEO-UHFFFAOYSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181981 703466975 /nfs/dbraw/zinc/46/69/75/703466975.db2.gz FJNQQZIEUTZNGF-JSGCOSHPSA-N 1 3 334.468 1.097 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181981 703466976 /nfs/dbraw/zinc/46/69/76/703466976.db2.gz FJNQQZIEUTZNGF-JSGCOSHPSA-N 1 3 334.468 1.097 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366901 703600978 /nfs/dbraw/zinc/60/09/78/703600978.db2.gz PGNXIGBZDCBZGX-KRWDZBQOSA-N 1 3 334.464 1.938 20 0 EDADHO CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000997611486 703911190 /nfs/dbraw/zinc/91/11/90/703911190.db2.gz FWDXAWFDLZJGAX-KRWDZBQOSA-N 1 3 333.480 1.325 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001004201832 703931049 /nfs/dbraw/zinc/93/10/49/703931049.db2.gz AHPUKBHFJWTFHL-HZPDHXFCSA-N 1 3 347.507 1.416 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000997783753 704694079 /nfs/dbraw/zinc/69/40/79/704694079.db2.gz JBKDBPXOLKYXEI-SFHVURJKSA-N 1 3 346.475 1.653 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831455 704749385 /nfs/dbraw/zinc/74/93/85/704749385.db2.gz SHYVLOPBMXVSBJ-XLIONFOSSA-N 1 3 349.519 1.726 20 0 EDADHO CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997831110 704751359 /nfs/dbraw/zinc/75/13/59/704751359.db2.gz QNTIKCDCGZAWLH-GOSISDBHSA-N 1 3 348.491 1.905 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)o1 ZINC000997831124 704751387 /nfs/dbraw/zinc/75/13/87/704751387.db2.gz RBNGSSRUGOLRRF-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CNCc2cnns2)CC1)[NH+](C)C ZINC000997844390 704759696 /nfs/dbraw/zinc/75/96/96/704759696.db2.gz OJXAPHRUIHWYBH-HNNXBMFYSA-N 1 3 339.509 1.453 20 0 EDADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081247 705302639 /nfs/dbraw/zinc/30/26/39/705302639.db2.gz HUYDPYKHGKJYSY-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081247 705302641 /nfs/dbraw/zinc/30/26/41/705302641.db2.gz HUYDPYKHGKJYSY-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1csc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998268076 705640094 /nfs/dbraw/zinc/64/00/94/705640094.db2.gz ASIMUOLOPLCJBG-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1csc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998268076 705640095 /nfs/dbraw/zinc/64/00/95/705640095.db2.gz ASIMUOLOPLCJBG-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000998269970 705647289 /nfs/dbraw/zinc/64/72/89/705647289.db2.gz SSGDFELIZAJGKI-UHFFFAOYSA-N 1 3 331.464 1.209 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288428 705684526 /nfs/dbraw/zinc/68/45/26/705684526.db2.gz VLTIUQJZSNBMBL-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000998554520 705989154 /nfs/dbraw/zinc/98/91/54/705989154.db2.gz YKEUWNITHNKDRH-LEOMRAHMSA-N 1 3 331.460 1.868 20 0 EDADHO Cc1nc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC000998553298 705991123 /nfs/dbraw/zinc/99/11/23/705991123.db2.gz VXIKXDBKUFGHIC-GPANFISMSA-N 1 3 336.505 1.667 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998735044 706169049 /nfs/dbraw/zinc/16/90/49/706169049.db2.gz YKQNBFBTVJTVPO-ZWKOTPCHSA-N 1 3 347.507 1.947 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnoc3C)C2)CC[N@@H+]1C ZINC000998792083 706238777 /nfs/dbraw/zinc/23/87/77/706238777.db2.gz SABNVNFMINWIMV-SJJHQCBESA-N 1 3 334.464 1.792 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnoc3C)C2)CC[N@H+]1C ZINC000998792083 706238779 /nfs/dbraw/zinc/23/87/79/706238779.db2.gz SABNVNFMINWIMV-SJJHQCBESA-N 1 3 334.464 1.792 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC000999145070 706558443 /nfs/dbraw/zinc/55/84/43/706558443.db2.gz PJDZHWYPPGJRFQ-MSOLQXFVSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000999145070 706558446 /nfs/dbraw/zinc/55/84/46/706558446.db2.gz PJDZHWYPPGJRFQ-MSOLQXFVSA-N 1 3 345.491 1.738 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC000999350508 706863260 /nfs/dbraw/zinc/86/32/60/706863260.db2.gz XZWGZTKXTIOJPW-INIZCTEOSA-N 1 3 333.480 1.028 20 0 EDADHO CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999373760 706868273 /nfs/dbraw/zinc/86/82/73/706868273.db2.gz HTHDVNFWJOQPTL-PQUAAJSLSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](NCc2cncc(F)c2)C1)[NH+](C)C ZINC000999431644 706939045 /nfs/dbraw/zinc/93/90/45/706939045.db2.gz CQPKXOBUEHTOID-SJORKVTESA-N 1 3 336.455 1.888 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)CC1 ZINC000999596947 707099917 /nfs/dbraw/zinc/09/99/17/707099917.db2.gz BMXQJHLNQZSFPK-UHFFFAOYSA-N 1 3 330.476 1.893 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2cncc(F)c2)C1 ZINC000999681364 707165921 /nfs/dbraw/zinc/16/59/21/707165921.db2.gz FGKQFQDTMKXBAK-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cncc(F)c2)C1 ZINC000999681364 707165926 /nfs/dbraw/zinc/16/59/26/707165926.db2.gz FGKQFQDTMKXBAK-NVPAJSRCSA-N 1 3 334.439 1.642 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC000999696445 707221113 /nfs/dbraw/zinc/22/11/13/707221113.db2.gz BINADYJPAJNWMK-UHFFFAOYSA-N 1 3 334.489 1.626 20 0 EDADHO C[C@@H](NCc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004981912 707860220 /nfs/dbraw/zinc/86/02/20/707860220.db2.gz NVRVGISBINHVIN-WBVHZDCISA-N 1 3 345.491 1.375 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582093 708264597 /nfs/dbraw/zinc/26/45/97/708264597.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 1 3 347.507 1.320 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582093 708264601 /nfs/dbraw/zinc/26/46/01/708264601.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 1 3 347.507 1.320 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001033592924 708292055 /nfs/dbraw/zinc/29/20/55/708292055.db2.gz JSXCFMJKKMYBCW-QZTJIDSGSA-N 1 3 343.471 1.349 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791412 709399084 /nfs/dbraw/zinc/39/90/84/709399084.db2.gz IDTXHBWYRUWNOS-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(NC1CCN(CCOC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002835636 709447491 /nfs/dbraw/zinc/44/74/91/709447491.db2.gz ZDTQQGVCIUMINO-SFHVURJKSA-N 1 3 335.492 1.478 20 0 EDADHO O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001002875745 709483130 /nfs/dbraw/zinc/48/31/30/709483130.db2.gz QOIVQTGVNPXEOD-OALUTQOASA-N 1 3 347.503 1.931 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321916 709772362 /nfs/dbraw/zinc/77/23/62/709772362.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321916 709772364 /nfs/dbraw/zinc/77/23/64/709772364.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 1 3 347.503 1.620 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003230880 710152061 /nfs/dbraw/zinc/15/20/61/710152061.db2.gz SJUYCVVIHUXHBD-SFHVURJKSA-N 1 3 347.507 1.584 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003230880 710152064 /nfs/dbraw/zinc/15/20/64/710152064.db2.gz SJUYCVVIHUXHBD-SFHVURJKSA-N 1 3 347.507 1.584 20 0 EDADHO CC1(C)CCN(CC(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003629565 710459293 /nfs/dbraw/zinc/45/92/93/710459293.db2.gz CHSZZZIEDRWYHD-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003776023 710545079 /nfs/dbraw/zinc/54/50/79/710545079.db2.gz GDNXSRQCKFNPEU-ZWKOTPCHSA-N 1 3 345.491 1.481 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003776023 710545080 /nfs/dbraw/zinc/54/50/80/710545080.db2.gz GDNXSRQCKFNPEU-ZWKOTPCHSA-N 1 3 345.491 1.481 20 0 EDADHO CC[C@@H](C(N)=O)N1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665422 710900252 /nfs/dbraw/zinc/90/02/52/710900252.db2.gz WJMNOFZOGSPPGV-INIZCTEOSA-N 1 3 343.431 1.135 20 0 EDADHO Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034734824 710913992 /nfs/dbraw/zinc/91/39/92/710913992.db2.gz ADRGUDMXRSTTMA-JQFCIGGWSA-N 1 3 334.464 1.984 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034775687 711049573 /nfs/dbraw/zinc/04/95/73/711049573.db2.gz GDUZTDVSIAXVGJ-ULQDDVLXSA-N 1 3 347.507 1.587 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC001034775687 711049575 /nfs/dbraw/zinc/04/95/75/711049575.db2.gz GDUZTDVSIAXVGJ-ULQDDVLXSA-N 1 3 347.507 1.587 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034792411 711119463 /nfs/dbraw/zinc/11/94/63/711119463.db2.gz JCKDASCCRFSKPN-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034792411 711119466 /nfs/dbraw/zinc/11/94/66/711119466.db2.gz JCKDASCCRFSKPN-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO Cn1nccc1CNC[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001034970139 711449222 /nfs/dbraw/zinc/44/92/22/711449222.db2.gz WDIJSPMDCBIEOT-QGZVFWFLSA-N 1 3 345.491 1.377 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392121 711457464 /nfs/dbraw/zinc/45/74/64/711457464.db2.gz BMRGSDLTNJIKAM-RWQQGDIJSA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392121 711457467 /nfs/dbraw/zinc/45/74/67/711457467.db2.gz BMRGSDLTNJIKAM-RWQQGDIJSA-N 1 3 343.475 1.689 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4[nH]cnc4c3)CC2)CC1 ZINC000051463982 214095642 /nfs/dbraw/zinc/09/56/42/214095642.db2.gz LZYIOJWDGMNLIP-UHFFFAOYSA-N 1 3 341.459 1.851 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](CCO)CC2)CC1 ZINC000557672487 306233010 /nfs/dbraw/zinc/23/30/10/306233010.db2.gz AUJVJRRLZOAYRL-INIZCTEOSA-N 1 3 325.497 1.460 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000560376891 306266609 /nfs/dbraw/zinc/26/66/09/306266609.db2.gz RUYRAFUTHGOEOO-UHFFFAOYSA-N 1 3 334.468 1.386 20 0 EDADHO CN1CCC(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000103298056 219286201 /nfs/dbraw/zinc/28/62/01/219286201.db2.gz MCWFVFJNWLCRBW-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2CCO)CC1 ZINC000342013017 539755141 /nfs/dbraw/zinc/75/51/41/539755141.db2.gz FOWWTAQWIRBEKK-QGZVFWFLSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805671 306309620 /nfs/dbraw/zinc/30/96/20/306309620.db2.gz KQXLBTULIKOQGY-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000249074471 283060585 /nfs/dbraw/zinc/06/05/85/283060585.db2.gz NEDLBZPWSHPEDJ-DAYGRLMNSA-N 1 3 325.497 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(N)C[C@@H](OCC)C2(C)C)C1 ZINC000249074471 283060589 /nfs/dbraw/zinc/06/05/89/283060589.db2.gz NEDLBZPWSHPEDJ-DAYGRLMNSA-N 1 3 325.497 1.709 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567181 283147731 /nfs/dbraw/zinc/14/77/31/283147731.db2.gz RLGZBMXPTNIBIK-FLRQUGKWSA-N 1 3 346.519 1.876 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000074252919 138230124 /nfs/dbraw/zinc/23/01/24/138230124.db2.gz BUBDULJOKFPBOR-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077552837 138253154 /nfs/dbraw/zinc/25/31/54/138253154.db2.gz CIWGLJFAPDAXOW-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187117244 236122854 /nfs/dbraw/zinc/12/28/54/236122854.db2.gz GLPYZCYLAPOAKF-UHFFFAOYSA-N 1 3 344.503 1.711 20 0 EDADHO C[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413547 295958942 /nfs/dbraw/zinc/95/89/42/295958942.db2.gz LTXRSVAMOVQLMU-DOTOQJQBSA-N 1 3 342.553 1.843 20 0 EDADHO CCC[NH+]1CCC(N2CCN(CC3(OC)CCOCC3)CC2)CC1 ZINC000365435637 283318834 /nfs/dbraw/zinc/31/88/34/283318834.db2.gz JBVNCOIAPOFLMU-UHFFFAOYSA-N 1 3 339.524 1.674 20 0 EDADHO CCCN1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000343995559 283320997 /nfs/dbraw/zinc/32/09/97/283320997.db2.gz SXZXOOIAUGGNTL-INIZCTEOSA-N 1 3 346.541 1.111 20 0 EDADHO CN1CCC(C[NH2+]C/C=C\c2ccncc2)(N2CCOCC2)CC1 ZINC000414478313 304117907 /nfs/dbraw/zinc/11/79/07/304117907.db2.gz DNYGSXNMSSXWDN-IHWYPQMZSA-N 1 3 330.476 1.481 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000414694111 304128293 /nfs/dbraw/zinc/12/82/93/304128293.db2.gz CXTVEMGDZZDYIF-UHFFFAOYSA-N 1 3 332.448 1.193 20 0 EDADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414699184 304129558 /nfs/dbraw/zinc/12/95/58/304129558.db2.gz JMWATJGVORHINR-AHCXZYCDSA-N 1 3 337.508 1.709 20 0 EDADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414699184 304129560 /nfs/dbraw/zinc/12/95/60/304129560.db2.gz JMWATJGVORHINR-AHCXZYCDSA-N 1 3 337.508 1.709 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000414701678 304129779 /nfs/dbraw/zinc/12/97/79/304129779.db2.gz KNZWXVITVDMKRL-ILXRZTDVSA-N 1 3 346.475 1.881 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(C[C@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000414705399 304130418 /nfs/dbraw/zinc/13/04/18/304130418.db2.gz WYXWSIDHNMDPBJ-QYZOEREBSA-N 1 3 347.503 1.432 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414707644 304130998 /nfs/dbraw/zinc/13/09/98/304130998.db2.gz MXPDSPOOILNFMW-OWCLPIDISA-N 1 3 325.497 1.709 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414707644 304131001 /nfs/dbraw/zinc/13/10/01/304131001.db2.gz MXPDSPOOILNFMW-OWCLPIDISA-N 1 3 325.497 1.709 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000414732654 304134551 /nfs/dbraw/zinc/13/45/51/304134551.db2.gz UOCSJVMIXRMQTL-UHFFFAOYSA-N 1 3 332.448 1.145 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCC1 ZINC000414743053 304136089 /nfs/dbraw/zinc/13/60/89/304136089.db2.gz UYFUIOXQSJRLKK-AWEZNQCLSA-N 1 3 344.459 1.119 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c1 ZINC000414828759 304145766 /nfs/dbraw/zinc/14/57/66/304145766.db2.gz MPYGYLZZWCTSHG-KGLIPLIRSA-N 1 3 333.432 1.780 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCNC2)c1 ZINC000414828759 304145767 /nfs/dbraw/zinc/14/57/67/304145767.db2.gz MPYGYLZZWCTSHG-KGLIPLIRSA-N 1 3 333.432 1.780 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000566745194 306427380 /nfs/dbraw/zinc/42/73/80/306427380.db2.gz GHHFBDXCCCZKJP-QGZVFWFLSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566903740 306432455 /nfs/dbraw/zinc/43/24/55/306432455.db2.gz IQZPSVXMYVJKCJ-SJORKVTESA-N 1 3 346.475 1.378 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236955643 139036369 /nfs/dbraw/zinc/03/63/69/139036369.db2.gz FCXLJCLUEJHOLD-HXUWFJFHSA-N 1 3 344.503 1.440 20 0 EDADHO C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000237435689 139051156 /nfs/dbraw/zinc/05/11/56/139051156.db2.gz SLZGKBUYHGEVMH-MAUKXSAKSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237606402 139055421 /nfs/dbraw/zinc/05/54/21/139055421.db2.gz UISSBYDVFHJTCX-CYGHRXIMSA-N 1 3 337.508 1.852 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000415224994 304176161 /nfs/dbraw/zinc/17/61/61/304176161.db2.gz HGADWMGSCLNTNO-ZQIUZPCESA-N 1 3 344.459 1.730 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245386861 139071444 /nfs/dbraw/zinc/07/14/44/139071444.db2.gz RCHNMSOGELGTDV-XYJFISCASA-N 1 3 328.497 1.594 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415352629 304201436 /nfs/dbraw/zinc/20/14/36/304201436.db2.gz BOLRBWSNNHZXKC-MRXNPFEDSA-N 1 3 344.459 1.418 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@@H](C)C1 ZINC000247240200 139141812 /nfs/dbraw/zinc/14/18/12/139141812.db2.gz YWHRQCBGDYLNGH-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000344551500 284669784 /nfs/dbraw/zinc/66/97/84/284669784.db2.gz RNJRCWLGJQYGMK-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO CNc1cc(N2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ncn1 ZINC000249042508 139183889 /nfs/dbraw/zinc/18/38/89/139183889.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 1 3 330.480 1.702 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000249042508 139183890 /nfs/dbraw/zinc/18/38/90/139183890.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 1 3 330.480 1.702 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000249042508 139183891 /nfs/dbraw/zinc/18/38/91/139183891.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 1 3 330.480 1.702 20 0 EDADHO Cc1nn(C)c(C)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261781235 139225472 /nfs/dbraw/zinc/22/54/72/139225472.db2.gz XXHHCYJDYACABJ-NVXWUHKLSA-N 1 3 333.480 1.117 20 0 EDADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261858817 139231930 /nfs/dbraw/zinc/23/19/30/139231930.db2.gz SCASFDZUENTOQU-QGZVFWFLSA-N 1 3 335.448 1.710 20 0 EDADHO COc1ccc(CN2CCCN(CC3CC[NH2+]CC3)CC2=O)cc1 ZINC000261995391 139242631 /nfs/dbraw/zinc/24/26/31/139242631.db2.gz STLZLHAYYZVLEA-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262047937 139246654 /nfs/dbraw/zinc/24/66/54/139246654.db2.gz MFKLQLLEHFHMOY-HNNXBMFYSA-N 1 3 325.478 1.511 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262223304 139261343 /nfs/dbraw/zinc/26/13/43/139261343.db2.gz FVQIEZDKMVOOAH-CZUORRHYSA-N 1 3 325.478 1.639 20 0 EDADHO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417089059 251141829 /nfs/dbraw/zinc/14/18/29/251141829.db2.gz MWIOWUFYFIGSDG-QGZVFWFLSA-N 1 3 330.476 1.956 20 0 EDADHO COCC1(CNC(=O)N[C@@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000417090588 251141837 /nfs/dbraw/zinc/14/18/37/251141837.db2.gz XGPXBVBBIPVRHL-HNNXBMFYSA-N 1 3 328.501 1.278 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)N(C)C)cc1 ZINC000417318022 251157245 /nfs/dbraw/zinc/15/72/45/251157245.db2.gz XVSINBYQRAYKSS-KSZLIROESA-N 1 3 330.476 1.991 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)N[C@@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417521556 251182671 /nfs/dbraw/zinc/18/26/71/251182671.db2.gz ZHMVECZSZKXTBG-ROUUACIJSA-N 1 3 348.491 1.699 20 0 EDADHO COCC1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382381 139274812 /nfs/dbraw/zinc/27/48/12/139274812.db2.gz NZRYTMWQYAISIY-FUHWJXTLSA-N 1 3 345.487 1.782 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731067 251247393 /nfs/dbraw/zinc/24/73/93/251247393.db2.gz FGTZJXVKQSBVSP-LJIGWXMPSA-N 1 3 348.516 1.992 20 0 EDADHO CCCN(C(=O)NC[C@@]1(N(C)C)CCSC1)C1CC[NH2+]CC1 ZINC000417813286 251280705 /nfs/dbraw/zinc/28/07/05/251280705.db2.gz GEMOWKLEQVNTHY-INIZCTEOSA-N 1 3 328.526 1.597 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CN1Cc1ccccc1 ZINC000417886786 251313907 /nfs/dbraw/zinc/31/39/07/251313907.db2.gz ZFPIYKMVNOGPFU-VHDGCEQUSA-N 1 3 340.418 1.931 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@H]1[NH3+] ZINC000418162665 251349482 /nfs/dbraw/zinc/34/94/82/251349482.db2.gz GMEGWYKFSUXYAV-KBXCAEBGSA-N 1 3 346.475 1.648 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000262529557 139284497 /nfs/dbraw/zinc/28/44/97/139284497.db2.gz MSIDWOQWCQAOED-HOTGVXAUSA-N 1 3 332.492 1.424 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000418202082 251356166 /nfs/dbraw/zinc/35/61/66/251356166.db2.gz IMDBKZUTQUNBAB-JQFCIGGWSA-N 1 3 334.464 1.390 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418708056 251389466 /nfs/dbraw/zinc/38/94/66/251389466.db2.gz UCBRCSFIWPRJTN-VXGBXAGGSA-N 1 3 328.407 1.774 20 0 EDADHO C[C@@H](C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000262553139 139286144 /nfs/dbraw/zinc/28/61/44/139286144.db2.gz ZQWJJYVXKQVGPS-OLZOCXBDSA-N 1 3 347.463 1.824 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418687281 251386632 /nfs/dbraw/zinc/38/66/32/251386632.db2.gz RBAGWLSWFKHUDF-BRWVUGGUSA-N 1 3 340.512 1.144 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875018 252008211 /nfs/dbraw/zinc/00/82/11/252008211.db2.gz BHLOAUGWCIDKTM-BZSNNMDCSA-N 1 3 330.476 1.664 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422881012 252009418 /nfs/dbraw/zinc/00/94/18/252009418.db2.gz MZVBYTRGVYWARV-MSOLQXFVSA-N 1 3 330.476 1.291 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422885966 252012144 /nfs/dbraw/zinc/01/21/44/252012144.db2.gz ZTKLJJDOBRJVEA-HKUYNNGSSA-N 1 3 344.503 1.962 20 0 EDADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423150012 252038180 /nfs/dbraw/zinc/03/81/80/252038180.db2.gz YKLYNIHMXYSQIB-CHWSQXEVSA-N 1 3 328.254 1.860 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CNCC[C@@H]2C)cc1 ZINC000422905755 252018854 /nfs/dbraw/zinc/01/88/54/252018854.db2.gz SQQSZQXIAXPJSS-YOEHRIQHSA-N 1 3 339.505 1.602 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000423841745 252088045 /nfs/dbraw/zinc/08/80/45/252088045.db2.gz MGZQKPFHMISDHI-GOSISDBHSA-N 1 3 333.476 1.688 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424142129 252142099 /nfs/dbraw/zinc/14/20/99/252142099.db2.gz UYBYSVTVQWHJQE-JKSUJKDBSA-N 1 3 342.447 1.235 20 0 EDADHO Cn1cc(C(=O)Nc2ccc3c(c2)CNC3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424193708 252158185 /nfs/dbraw/zinc/15/81/85/252158185.db2.gz RCTKBALPJOGPIC-CYBMUJFWSA-N 1 3 325.416 1.743 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284250 252190553 /nfs/dbraw/zinc/19/05/53/252190553.db2.gz DFZRAPBMDMXGPU-OAHLLOKOSA-N 1 3 333.451 1.948 20 0 EDADHO CCN1CCN(CCCCNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424431768 252228059 /nfs/dbraw/zinc/22/80/59/252228059.db2.gz AJYDWWCMOKSDOO-UHFFFAOYSA-N 1 3 347.507 1.993 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1CN(C)C ZINC000415754675 304265975 /nfs/dbraw/zinc/26/59/75/304265975.db2.gz ZSJPHRFVWNSAOO-HOCLYGCPSA-N 1 3 344.459 1.063 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(N2CCOCC2)CCSC1 ZINC000154432722 224252361 /nfs/dbraw/zinc/25/23/61/224252361.db2.gz MRUXGJOZTKQDLC-WCXIOVBPSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@]1(N2CCOCC2)CCSC1 ZINC000154432722 224252364 /nfs/dbraw/zinc/25/23/64/224252364.db2.gz MRUXGJOZTKQDLC-WCXIOVBPSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494185870 255241449 /nfs/dbraw/zinc/24/14/49/255241449.db2.gz NKNVMXRNNBSDSA-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263924 /nfs/dbraw/zinc/26/39/24/255263924.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263925 /nfs/dbraw/zinc/26/39/25/255263925.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415835527 304279701 /nfs/dbraw/zinc/27/97/01/304279701.db2.gz JKOJVKNFGUPIEZ-INIZCTEOSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@@H]1[NH3+] ZINC000415836735 304279831 /nfs/dbraw/zinc/27/98/31/304279831.db2.gz XVWYZPJAKFDJEB-YOEHRIQHSA-N 1 3 344.459 1.417 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000159335850 533647281 /nfs/dbraw/zinc/64/72/81/533647281.db2.gz CGRJTXUHQXRYOV-QUCCMNQESA-N 1 3 330.520 1.877 20 0 EDADHO C[C@@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335850 533647288 /nfs/dbraw/zinc/64/72/88/533647288.db2.gz CGRJTXUHQXRYOV-QUCCMNQESA-N 1 3 330.520 1.877 20 0 EDADHO C[C@@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335850 533647290 /nfs/dbraw/zinc/64/72/90/533647290.db2.gz CGRJTXUHQXRYOV-QUCCMNQESA-N 1 3 330.520 1.877 20 0 EDADHO COc1cccc([C@H](CNC(=O)c2conc2C(C)(C)[NH3+])N(C)C)c1 ZINC000571296759 306562097 /nfs/dbraw/zinc/56/20/97/306562097.db2.gz AUZYHBLIBBLKSC-HNNXBMFYSA-N 1 3 346.431 1.910 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333475970 141323706 /nfs/dbraw/zinc/32/37/06/141323706.db2.gz BLZNNUWMPFHPIG-UXLLHSPISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333806194 141385077 /nfs/dbraw/zinc/38/50/77/141385077.db2.gz IOIAFQBNYFEIGN-ZMSDIMECSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]1 ZINC000333910940 141408283 /nfs/dbraw/zinc/40/82/83/141408283.db2.gz DZQCHHMBJPZIHQ-HUUCEWRRSA-N 1 3 340.537 1.788 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(OCC3CCCC3)CC2)C1 ZINC000572463994 306589630 /nfs/dbraw/zinc/58/96/30/306589630.db2.gz ORBDDJJEHWYKLO-KRWDZBQOSA-N 1 3 337.508 1.855 20 0 EDADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccco1 ZINC000345112334 143051911 /nfs/dbraw/zinc/05/19/11/143051911.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 1 3 334.464 1.980 20 0 EDADHO CN(CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1)Cc1ccco1 ZINC000345112334 143051912 /nfs/dbraw/zinc/05/19/12/143051912.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 1 3 334.464 1.980 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000345747950 143128420 /nfs/dbraw/zinc/12/84/20/143128420.db2.gz BQLIQYLXKNKTAV-HNNXBMFYSA-N 1 3 341.402 1.242 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348021199 143392193 /nfs/dbraw/zinc/39/21/93/143392193.db2.gz QVDJPMHKCUMXJS-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000348021199 143392194 /nfs/dbraw/zinc/39/21/94/143392194.db2.gz QVDJPMHKCUMXJS-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)N2CCCCCC2)C1 ZINC000348028140 143393085 /nfs/dbraw/zinc/39/30/85/143393085.db2.gz QCVPIZNNLSTJBI-OKZBNKHCSA-N 1 3 337.508 1.963 20 0 EDADHO C[NH+](C)CC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000341192770 143885657 /nfs/dbraw/zinc/88/56/57/143885657.db2.gz PVKVOTPLXWQJSZ-UHFFFAOYSA-N 1 3 329.444 1.946 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416845418 304351417 /nfs/dbraw/zinc/35/14/17/304351417.db2.gz RSAPHKYCVUMQFO-FGTMMUONSA-N 1 3 328.460 1.512 20 0 EDADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000352760045 149153219 /nfs/dbraw/zinc/15/32/19/149153219.db2.gz NNDMCKARBRPFGI-GOSISDBHSA-N 1 3 334.508 1.101 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000416970466 304357325 /nfs/dbraw/zinc/35/73/25/304357325.db2.gz ATENUDZRPXSVJY-GOSISDBHSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000416969702 304357520 /nfs/dbraw/zinc/35/75/20/304357520.db2.gz LDTNIMIIZPJBHP-HUUCEWRRSA-N 1 3 334.464 1.519 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000416972399 304358202 /nfs/dbraw/zinc/35/82/02/304358202.db2.gz RWFHBDCRTVTDHT-OAHLLOKOSA-N 1 3 348.491 1.896 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973790 304358613 /nfs/dbraw/zinc/35/86/13/304358613.db2.gz VQTVEVVZNAKBKK-HOCLYGCPSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)[C@H](C[NH3+])C1 ZINC000416979012 304360080 /nfs/dbraw/zinc/36/00/80/304360080.db2.gz WNNILBWUVNWXJL-WBVHZDCISA-N 1 3 348.491 1.896 20 0 EDADHO CNS(=O)(=O)CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354880710 150009363 /nfs/dbraw/zinc/00/93/63/150009363.db2.gz TXPGLRNWJJNJQT-UHFFFAOYSA-N 1 3 340.493 1.169 20 0 EDADHO CNS(=O)(=O)CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354880710 150009365 /nfs/dbraw/zinc/00/93/65/150009365.db2.gz TXPGLRNWJJNJQT-UHFFFAOYSA-N 1 3 340.493 1.169 20 0 EDADHO C[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000417044353 304365421 /nfs/dbraw/zinc/36/54/21/304365421.db2.gz XWBBXCPNAJZYMN-YJBOKZPZSA-N 1 3 330.476 1.814 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064197 304368339 /nfs/dbraw/zinc/36/83/39/304368339.db2.gz ABYKRWHITJELEE-VSZNYVQBSA-N 1 3 328.460 1.750 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064197 304368341 /nfs/dbraw/zinc/36/83/41/304368341.db2.gz ABYKRWHITJELEE-VSZNYVQBSA-N 1 3 328.460 1.750 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064200 304368377 /nfs/dbraw/zinc/36/83/77/304368377.db2.gz ABYKRWHITJELEE-XLAORIBOSA-N 1 3 328.460 1.750 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064200 304368378 /nfs/dbraw/zinc/36/83/78/304368378.db2.gz ABYKRWHITJELEE-XLAORIBOSA-N 1 3 328.460 1.750 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000358125609 151280545 /nfs/dbraw/zinc/28/05/45/151280545.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 1 3 340.512 1.610 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000358125609 151280547 /nfs/dbraw/zinc/28/05/47/151280547.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 1 3 340.512 1.610 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358165734 151293304 /nfs/dbraw/zinc/29/33/04/151293304.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358165734 151293305 /nfs/dbraw/zinc/29/33/05/151293305.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360748576 152184396 /nfs/dbraw/zinc/18/43/96/152184396.db2.gz WZGQYPLGMXPOOV-IJEWVQPXSA-N 1 3 326.510 1.302 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360748576 152184399 /nfs/dbraw/zinc/18/43/99/152184399.db2.gz WZGQYPLGMXPOOV-IJEWVQPXSA-N 1 3 326.510 1.302 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000360896514 152244523 /nfs/dbraw/zinc/24/45/23/152244523.db2.gz RRMBOVDLTBBBAP-DLBZAZTESA-N 1 3 342.528 1.499 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000360896514 152244524 /nfs/dbraw/zinc/24/45/24/152244524.db2.gz RRMBOVDLTBBBAP-DLBZAZTESA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000361111019 152308880 /nfs/dbraw/zinc/30/88/80/152308880.db2.gz IPIMQIFIYLMDEH-MSOLQXFVSA-N 1 3 346.523 1.309 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417242438 304387302 /nfs/dbraw/zinc/38/73/02/304387302.db2.gz UKPJHYNUGGCZFS-STQMWFEESA-N 1 3 332.439 1.793 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417242438 304387304 /nfs/dbraw/zinc/38/73/04/304387304.db2.gz UKPJHYNUGGCZFS-STQMWFEESA-N 1 3 332.439 1.793 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417356731 304394441 /nfs/dbraw/zinc/39/44/41/304394441.db2.gz FPVXLMNUHBODOL-UHFFFAOYSA-N 1 3 336.480 1.753 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)N2CCCC2)cc1 ZINC000417351327 304394097 /nfs/dbraw/zinc/39/40/97/304394097.db2.gz CEZZPNNXUNEEDG-SQNIBIBYSA-N 1 3 346.475 1.011 20 0 EDADHO COCCCN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000369659520 155123244 /nfs/dbraw/zinc/12/32/44/155123244.db2.gz UORAJHNRFOKYIR-KRWDZBQOSA-N 1 3 340.512 1.472 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523412 304402952 /nfs/dbraw/zinc/40/29/52/304402952.db2.gz HXAZZEMPMPDOEL-MAUKXSAKSA-N 1 3 348.491 1.467 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCOCC2)[C@H]1c1cccs1 ZINC000374591684 157339471 /nfs/dbraw/zinc/33/94/71/157339471.db2.gz HKUFPNRLHMDALM-KBMXLJTQSA-N 1 3 337.489 1.611 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCOCC2)[C@H]1c1cccs1 ZINC000374591684 157339474 /nfs/dbraw/zinc/33/94/74/157339474.db2.gz HKUFPNRLHMDALM-KBMXLJTQSA-N 1 3 337.489 1.611 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336692 162302217 /nfs/dbraw/zinc/30/22/17/162302217.db2.gz OBUDPFVHIILDJV-IRXDYDNUSA-N 1 3 325.497 1.819 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000154439068 287644122 /nfs/dbraw/zinc/64/41/22/287644122.db2.gz XITVUVIUXLQNDN-INIZCTEOSA-N 1 3 343.479 1.341 20 0 EDADHO C[C@@H]1[C@H](C)OCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120624560 267450196 /nfs/dbraw/zinc/45/01/96/267450196.db2.gz GRINBHWXMFZYGL-CABCVRRESA-N 1 3 338.496 1.364 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274817312 268213354 /nfs/dbraw/zinc/21/33/54/268213354.db2.gz JASQXGGCSIFCGY-SZVBFZGTSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274817312 268213357 /nfs/dbraw/zinc/21/33/57/268213357.db2.gz JASQXGGCSIFCGY-SZVBFZGTSA-N 1 3 334.460 1.801 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275537132 268357187 /nfs/dbraw/zinc/35/71/87/268357187.db2.gz YBWDXQUAKCVWJZ-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275537132 268357188 /nfs/dbraw/zinc/35/71/88/268357188.db2.gz YBWDXQUAKCVWJZ-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000104533407 272919592 /nfs/dbraw/zinc/91/95/92/272919592.db2.gz CLQMAAZULUJYEM-UHFFFAOYSA-N 1 3 348.447 1.209 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC(C[NH2+]C)CC3)cc2)CC1 ZINC000152262969 272927162 /nfs/dbraw/zinc/92/71/62/272927162.db2.gz ZQQMLIILJOOOHA-UHFFFAOYSA-N 1 3 344.503 1.900 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265707971 276075597 /nfs/dbraw/zinc/07/55/97/276075597.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000265707971 276075598 /nfs/dbraw/zinc/07/55/98/276075598.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000416993425 276196975 /nfs/dbraw/zinc/19/69/75/276196975.db2.gz QFFHAUGNTMDTEQ-MRXNPFEDSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@H](C[NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000285875099 287878888 /nfs/dbraw/zinc/87/88/88/287878888.db2.gz BSFLHLSEFSEYME-SJORKVTESA-N 1 3 345.491 1.037 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCN1CCOC ZINC000664066801 452758869 /nfs/dbraw/zinc/75/88/69/452758869.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCCN1CCOC ZINC000664066801 452758883 /nfs/dbraw/zinc/75/88/83/452758883.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000338569686 277048216 /nfs/dbraw/zinc/04/82/16/277048216.db2.gz LIOCZGYFGOGPJM-CVEARBPZSA-N 1 3 325.497 1.534 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367604401 277170746 /nfs/dbraw/zinc/17/07/46/277170746.db2.gz BKJOBTKLLRGFCC-BZSNNMDCSA-N 1 3 344.507 1.061 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367604401 277170748 /nfs/dbraw/zinc/17/07/48/277170748.db2.gz BKJOBTKLLRGFCC-BZSNNMDCSA-N 1 3 344.507 1.061 20 0 EDADHO CN1C[C@H](C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202293 /nfs/dbraw/zinc/20/22/93/277202293.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 1 3 329.444 1.891 20 0 EDADHO CN1C[C@H](C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)OC1=O ZINC000496766394 277202294 /nfs/dbraw/zinc/20/22/94/277202294.db2.gz KHMMJEAEQCRMDD-KZNAEPCWSA-N 1 3 329.444 1.891 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417800111 277679477 /nfs/dbraw/zinc/67/94/77/277679477.db2.gz BXSDFARXVHQOKM-WBVHZDCISA-N 1 3 340.512 1.645 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])N2CCCC2)cc1 ZINC000416832238 277933733 /nfs/dbraw/zinc/93/37/33/277933733.db2.gz VXDVEWOWVCHRMN-YOEHRIQHSA-N 1 3 334.464 1.726 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200262 278434909 /nfs/dbraw/zinc/43/49/09/278434909.db2.gz HVXFGPDIASYDBJ-FCEWJHQRSA-N 1 3 337.508 1.901 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433465155 279038506 /nfs/dbraw/zinc/03/85/06/279038506.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433465155 279038507 /nfs/dbraw/zinc/03/85/07/279038507.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000369814802 279097376 /nfs/dbraw/zinc/09/73/76/279097376.db2.gz TXJZHSNVKHROLG-UHFFFAOYSA-N 1 3 328.501 1.207 20 0 EDADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCOCCN(C)C ZINC000355359155 279187548 /nfs/dbraw/zinc/18/75/48/279187548.db2.gz YUTQWHHZZYRTJW-UHFFFAOYSA-N 1 3 328.501 1.472 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417992843 279282302 /nfs/dbraw/zinc/28/23/02/279282302.db2.gz WZFWBOSGGCQSRP-BPQIPLTHSA-N 1 3 330.476 1.758 20 0 EDADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900908 279395898 /nfs/dbraw/zinc/39/58/98/279395898.db2.gz KHNGXKFBCATKGJ-WBVHZDCISA-N 1 3 339.505 1.933 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000261891206 288152173 /nfs/dbraw/zinc/15/21/73/288152173.db2.gz CFBGXGLQHAYTGQ-SOLBZPMBSA-N 1 3 349.519 1.724 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CCN3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000368005042 288156890 /nfs/dbraw/zinc/15/68/90/288156890.db2.gz GZBSGABEUGPYPC-HZPDHXFCSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114312 288163149 /nfs/dbraw/zinc/16/31/49/288163149.db2.gz LNXPNDJFZUMLSA-GDBMZVCRSA-N 1 3 326.485 1.304 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000287258811 288193575 /nfs/dbraw/zinc/19/35/75/288193575.db2.gz UKQVDIYPXUVWQB-QGZVFWFLSA-N 1 3 334.464 1.691 20 0 EDADHO CC[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777419 280075662 /nfs/dbraw/zinc/07/56/62/280075662.db2.gz CWUOECLVOUPYST-JKSUJKDBSA-N 1 3 340.512 1.166 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000356087694 282024262 /nfs/dbraw/zinc/02/42/62/282024262.db2.gz IJTKUSSSGWAQEA-CQSZACIVSA-N 1 3 341.496 1.544 20 0 EDADHO CCN(C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291180861 289013861 /nfs/dbraw/zinc/01/38/61/289013861.db2.gz HHJKSPXDAXLMLV-UHFFFAOYSA-N 1 3 337.468 1.163 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000291682667 289149341 /nfs/dbraw/zinc/14/93/41/289149341.db2.gz RLBJKGMUQDSGQB-IBGZPJMESA-N 1 3 330.476 1.985 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291682667 289149344 /nfs/dbraw/zinc/14/93/44/289149344.db2.gz RLBJKGMUQDSGQB-IBGZPJMESA-N 1 3 330.476 1.985 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333769648 289266128 /nfs/dbraw/zinc/26/61/28/289266128.db2.gz FDMDSRDSRWPUFO-BPQIPLTHSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@@H](C)O1 ZINC000373860606 296993933 /nfs/dbraw/zinc/99/39/33/296993933.db2.gz UGQLOSBUTMYCBS-QQTQMKHKSA-N 1 3 349.519 1.724 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN[C@H](C)[C@H]2C)cc1 ZINC000333684935 295224394 /nfs/dbraw/zinc/22/43/94/295224394.db2.gz PEKZXAAPNBJVTI-KNCCTNLNSA-N 1 3 346.475 1.533 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000623072619 450391763 /nfs/dbraw/zinc/39/17/63/450391763.db2.gz JDIXZBPCGXBFEO-DLBZAZTESA-N 1 3 342.447 1.440 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419657604 447326137 /nfs/dbraw/zinc/32/61/37/447326137.db2.gz WQFWDSZFIRETCE-GDBMZVCRSA-N 1 3 346.475 1.182 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)c2ccccc2C)CC1 ZINC000295153023 303181347 /nfs/dbraw/zinc/18/13/47/303181347.db2.gz JTOSTNOGPGIPDL-QAPCUYQASA-N 1 3 332.492 1.385 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000295848748 303275104 /nfs/dbraw/zinc/27/51/04/303275104.db2.gz DGHGLZISCQALAK-QFHJOOASSA-N 1 3 345.487 1.809 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000296335666 303310461 /nfs/dbraw/zinc/31/04/61/303310461.db2.gz IBLPGNADIVWBAZ-VQIMIIECSA-N 1 3 344.503 1.622 20 0 EDADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1OC ZINC000429288530 305027809 /nfs/dbraw/zinc/02/78/09/305027809.db2.gz WLQHXAVOVQJCJH-SJORKVTESA-N 1 3 337.508 1.913 20 0 EDADHO CC(C)[C@](C)(C[NH3+])NCCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430569542 305056379 /nfs/dbraw/zinc/05/63/79/305056379.db2.gz LOSFJPKJMRDFCD-INIZCTEOSA-N 1 3 343.493 1.279 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3nnc(CN)[nH]3)cc2)CC1 ZINC000434696260 305128034 /nfs/dbraw/zinc/12/80/34/305128034.db2.gz XXOXYLMGEZVYJD-UHFFFAOYSA-N 1 3 342.447 1.989 20 0 EDADHO COc1ccc(OCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060477 305151844 /nfs/dbraw/zinc/15/18/44/305151844.db2.gz FATCGBGEKXMINY-OAHLLOKOSA-N 1 3 335.448 1.394 20 0 EDADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1(C(=O)OC)CCC1 ZINC000442889884 305230432 /nfs/dbraw/zinc/23/04/32/305230432.db2.gz MFGMNWCJAJTEKL-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000449346022 305312022 /nfs/dbraw/zinc/31/20/22/305312022.db2.gz LGFWNVPXSOXOEV-IEBWSBKVSA-N 1 3 344.503 1.118 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449730137 305318244 /nfs/dbraw/zinc/31/82/44/305318244.db2.gz PPAQKDKSEYUEFE-CYBMUJFWSA-N 1 3 333.354 1.637 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489766477 305565919 /nfs/dbraw/zinc/56/59/19/305565919.db2.gz PSVJAJSOYYFFFT-BRWVUGGUSA-N 1 3 340.512 1.251 20 0 EDADHO CCN1CCN([C@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425902888 447354642 /nfs/dbraw/zinc/35/46/42/447354642.db2.gz UNYDEEHCPJPNMW-OAHLLOKOSA-N 1 3 335.496 1.257 20 0 EDADHO C[N@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CCCC1 ZINC000419696284 447355700 /nfs/dbraw/zinc/35/57/00/447355700.db2.gz OGHRZWGNQFLJDS-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO C[N@@H+](CCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CCCC1 ZINC000419696284 447355705 /nfs/dbraw/zinc/35/57/05/447355705.db2.gz OGHRZWGNQFLJDS-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000414925033 447358901 /nfs/dbraw/zinc/35/89/01/447358901.db2.gz HMWVEGAOZQWZFA-MRXNPFEDSA-N 1 3 330.432 1.041 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000535726452 306015252 /nfs/dbraw/zinc/01/52/52/306015252.db2.gz BKZVQAGEICKFOV-HZPDHXFCSA-N 1 3 342.528 1.715 20 0 EDADHO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2C1 ZINC000538709308 306032676 /nfs/dbraw/zinc/03/26/76/306032676.db2.gz DRNCRJWJIYWNPY-HKUYNNGSSA-N 1 3 331.460 1.526 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000547296108 306097877 /nfs/dbraw/zinc/09/78/77/306097877.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000547296108 306097878 /nfs/dbraw/zinc/09/78/78/306097878.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 1 3 338.496 1.005 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNc2nc(NCC)nc(NC(C)(C)C)n2)C1 ZINC000553331173 306184157 /nfs/dbraw/zinc/18/41/57/306184157.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 1 3 335.500 1.501 20 0 EDADHO CCC[N@H+]1CC[C@H](CNc2nc(NCC)nc(NC(C)(C)C)n2)C1 ZINC000553331173 306184158 /nfs/dbraw/zinc/18/41/58/306184158.db2.gz YOPIWXVTUCOFLW-CYBMUJFWSA-N 1 3 335.500 1.501 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(O)(CC)CC)CC2)CC1 ZINC000553492422 306185849 /nfs/dbraw/zinc/18/58/49/306185849.db2.gz BTDOZALDJUTIJZ-UHFFFAOYSA-N 1 3 339.524 1.850 20 0 EDADHO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C(C)(C)C[NH+](C)C ZINC000414957116 447373486 /nfs/dbraw/zinc/37/34/86/447373486.db2.gz PQZAOQPCWFYCAC-CYBMUJFWSA-N 1 3 346.475 1.363 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000665553703 453744943 /nfs/dbraw/zinc/74/49/43/453744943.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000665553703 453744947 /nfs/dbraw/zinc/74/49/47/453744947.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458638995 447434690 /nfs/dbraw/zinc/43/46/90/447434690.db2.gz ACWBLORQUZTJNE-INIZCTEOSA-N 1 3 328.501 1.469 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000104533455 441197620 /nfs/dbraw/zinc/19/76/20/441197620.db2.gz BUABKHDANGVNQR-UHFFFAOYSA-N 1 3 344.459 1.022 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073643872 441337955 /nfs/dbraw/zinc/33/79/55/441337955.db2.gz MAWYNLYAHXQUSB-QGZVFWFLSA-N 1 3 332.492 1.655 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)C[NH+]1CCCCC1 ZINC000136544310 441704009 /nfs/dbraw/zinc/70/40/09/441704009.db2.gz KWPOYPZDJOFUNL-MRXNPFEDSA-N 1 3 348.491 1.874 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137193468 441755303 /nfs/dbraw/zinc/75/53/03/441755303.db2.gz JTZSYPHLVDJIQV-HNNXBMFYSA-N 1 3 337.533 1.854 20 0 EDADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000159207054 441794468 /nfs/dbraw/zinc/79/44/68/441794468.db2.gz ZVDXTXUXURTQOP-OAHLLOKOSA-N 1 3 344.463 1.814 20 0 EDADHO CN(C)C(=O)[C@H](c1ccccc1)N(C)CCCN1CCN(C)CC1 ZINC000174721467 441959703 /nfs/dbraw/zinc/95/97/03/441959703.db2.gz QWWGIUUSZMHYFI-SFHVURJKSA-N 1 3 332.492 1.385 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110786 /nfs/dbraw/zinc/11/07/86/442110786.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110790 /nfs/dbraw/zinc/11/07/90/442110790.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176060269 442168545 /nfs/dbraw/zinc/16/85/45/442168545.db2.gz QTIWEGNLOSBDJM-UHFFFAOYSA-N 1 3 346.475 1.548 20 0 EDADHO CC(=O)N1CC[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152905436 442250920 /nfs/dbraw/zinc/25/09/20/442250920.db2.gz YIOXWIQPVHXHEV-SFHVURJKSA-N 1 3 344.503 1.927 20 0 EDADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000154264687 442329331 /nfs/dbraw/zinc/32/93/31/442329331.db2.gz ZSMHRGDXDSJALQ-UXPWSPDFSA-N 1 3 347.503 1.998 20 0 EDADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000154264687 442329333 /nfs/dbraw/zinc/32/93/33/442329333.db2.gz ZSMHRGDXDSJALQ-UXPWSPDFSA-N 1 3 347.503 1.998 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)N(C)C ZINC000154397970 442337117 /nfs/dbraw/zinc/33/71/17/442337117.db2.gz ORHMLFJGNQOKET-UJJTZGENSA-N 1 3 336.524 1.342 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)N(C)C ZINC000154397970 442337120 /nfs/dbraw/zinc/33/71/20/442337120.db2.gz ORHMLFJGNQOKET-UJJTZGENSA-N 1 3 336.524 1.342 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156287201 442463283 /nfs/dbraw/zinc/46/32/83/442463283.db2.gz HGJMCJGBJRWEQR-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192228803 442617577 /nfs/dbraw/zinc/61/75/77/442617577.db2.gz TUNJQZIMQLYLQL-GOSISDBHSA-N 1 3 333.476 1.734 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192228803 442617582 /nfs/dbraw/zinc/61/75/82/442617582.db2.gz TUNJQZIMQLYLQL-GOSISDBHSA-N 1 3 333.476 1.734 20 0 EDADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCC(N)=O ZINC000192765911 442684288 /nfs/dbraw/zinc/68/42/88/442684288.db2.gz DGMFNLJMJVERNR-GOOCMWNKSA-N 1 3 333.432 1.274 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnn2ccncc12 ZINC000193053433 442708637 /nfs/dbraw/zinc/70/86/37/442708637.db2.gz PZUYCCFAGZNJMK-HNNXBMFYSA-N 1 3 344.463 1.217 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cnn2ccncc12 ZINC000193053433 442708639 /nfs/dbraw/zinc/70/86/39/442708639.db2.gz PZUYCCFAGZNJMK-HNNXBMFYSA-N 1 3 344.463 1.217 20 0 EDADHO COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H](F)CN3)CC2)cc1 ZINC000188742635 442801529 /nfs/dbraw/zinc/80/15/29/442801529.db2.gz OZOMHIGDCSBLDY-FUHWJXTLSA-N 1 3 349.450 1.723 20 0 EDADHO C[C@@H]1CO[C@@H](C)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000182538031 442783712 /nfs/dbraw/zinc/78/37/12/442783712.db2.gz GMGFOEFRQCWNST-CABCVRRESA-N 1 3 338.496 1.364 20 0 EDADHO Cc1ccc(NC(=O)c2n[nH]c3c2CNCC3)c(OCC[NH+](C)C)c1 ZINC000188776273 442810249 /nfs/dbraw/zinc/81/02/49/442810249.db2.gz KCYNESQLEYKQEK-UHFFFAOYSA-N 1 3 343.431 1.557 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136368 442836939 /nfs/dbraw/zinc/83/69/39/442836939.db2.gz SPCGUFCZLPBBBH-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194142993 442851365 /nfs/dbraw/zinc/85/13/65/442851365.db2.gz FLWBKJWORSLWJZ-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1[nH]nc2c1CNCC2 ZINC000188997447 442857621 /nfs/dbraw/zinc/85/76/21/442857621.db2.gz KIBSMTHEJVCWTK-CYBMUJFWSA-N 1 3 327.432 1.306 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]C3CCN(CCN(C)C)CC3)cc12 ZINC000237168064 443162528 /nfs/dbraw/zinc/16/25/28/443162528.db2.gz KHKGBBXIGCJSOV-UHFFFAOYSA-N 1 3 330.480 1.392 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262513140 443198976 /nfs/dbraw/zinc/19/89/76/443198976.db2.gz DXCOVOLGVSLOPG-XYJFISCASA-N 1 3 332.492 1.465 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411240736 319173107 /nfs/dbraw/zinc/17/31/07/319173107.db2.gz IBNRKFGXRPXUNR-HNNXBMFYSA-N 1 3 348.491 1.842 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000411240736 319173109 /nfs/dbraw/zinc/17/31/09/319173109.db2.gz IBNRKFGXRPXUNR-HNNXBMFYSA-N 1 3 348.491 1.842 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414204402 319319710 /nfs/dbraw/zinc/31/97/10/319319710.db2.gz WHVJYVDIDXJLLS-FQEVSTJZSA-N 1 3 343.515 1.930 20 0 EDADHO CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000414993748 319344421 /nfs/dbraw/zinc/34/44/21/319344421.db2.gz UCBZKOATLFDUJQ-APWZRJJASA-N 1 3 349.450 1.961 20 0 EDADHO CC(C)[C@@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269315148 443279230 /nfs/dbraw/zinc/27/92/30/443279230.db2.gz ZBVRCWJTRLJLDP-LJQANCHMSA-N 1 3 346.519 1.684 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CNC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269274988 443262601 /nfs/dbraw/zinc/26/26/01/443262601.db2.gz WATHQLFIWIUXBO-BHIYHBOVSA-N 1 3 345.487 1.924 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CNC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269274988 443262603 /nfs/dbraw/zinc/26/26/03/443262603.db2.gz WATHQLFIWIUXBO-BHIYHBOVSA-N 1 3 345.487 1.924 20 0 EDADHO COCCNCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417330752 319492121 /nfs/dbraw/zinc/49/21/21/319492121.db2.gz LIVGQKMLBQTYGU-UHFFFAOYSA-N 1 3 326.485 1.176 20 0 EDADHO CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCN(Cc2ccccc2)CC1 ZINC000418671895 319509547 /nfs/dbraw/zinc/50/95/47/319509547.db2.gz MXEGZOQHBYXTAS-PIIMJCKOSA-N 1 3 328.460 1.510 20 0 EDADHO CN(C)[C@]1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCSC1 ZINC000276553995 443744183 /nfs/dbraw/zinc/74/41/83/443744183.db2.gz FROFJLXZTXWTBT-SFHVURJKSA-N 1 3 333.501 1.542 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)c1 ZINC000298638575 443824895 /nfs/dbraw/zinc/82/48/95/443824895.db2.gz FJGOCIFISICVDU-QGZVFWFLSA-N 1 3 334.464 1.645 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)c1 ZINC000298638575 443824899 /nfs/dbraw/zinc/82/48/99/443824899.db2.gz FJGOCIFISICVDU-QGZVFWFLSA-N 1 3 334.464 1.645 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000531357261 320656710 /nfs/dbraw/zinc/65/67/10/320656710.db2.gz MHIWCOOFTPSVDE-UHFFFAOYSA-N 1 3 339.484 1.252 20 0 EDADHO C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000299170025 443973527 /nfs/dbraw/zinc/97/35/27/443973527.db2.gz WTNCVDASQXNWER-IBGZPJMESA-N 1 3 344.503 1.357 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000557241623 321001003 /nfs/dbraw/zinc/00/10/03/321001003.db2.gz WBYYONTXTJSYGL-XHSDSOJGSA-N 1 3 338.496 1.399 20 0 EDADHO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000562960267 321084110 /nfs/dbraw/zinc/08/41/10/321084110.db2.gz NLDLJGBQJNUAGB-BZUAXINKSA-N 1 3 329.510 1.168 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000565184786 321174812 /nfs/dbraw/zinc/17/48/12/321174812.db2.gz DJVPHUXTYTYLPI-UHFFFAOYSA-N 1 3 333.480 1.393 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCSC1 ZINC000566795334 321233995 /nfs/dbraw/zinc/23/39/95/321233995.db2.gz LKBDVFGHJPZTKA-AEFFLSMTSA-N 1 3 348.516 1.691 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000567522652 321244624 /nfs/dbraw/zinc/24/46/24/321244624.db2.gz WPCAUWRCBHEEAX-ZWKOTPCHSA-N 1 3 332.492 1.928 20 0 EDADHO C[N@H+](C[C@@H](O)CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000568391543 321289414 /nfs/dbraw/zinc/28/94/14/321289414.db2.gz DTBRCPMIOQKODJ-JSGCOSHPSA-N 1 3 346.393 1.300 20 0 EDADHO C[N@@H+](C[C@@H](O)CNC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000568391543 321289415 /nfs/dbraw/zinc/28/94/15/321289415.db2.gz DTBRCPMIOQKODJ-JSGCOSHPSA-N 1 3 346.393 1.300 20 0 EDADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000571326626 321382828 /nfs/dbraw/zinc/38/28/28/321382828.db2.gz IOXAMRNBUGLVQN-HOTGVXAUSA-N 1 3 340.439 1.248 20 0 EDADHO CC[C@H](C)N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295927461 444194839 /nfs/dbraw/zinc/19/48/39/444194839.db2.gz FTLKPAMMRKYZRB-HKUYNNGSSA-N 1 3 346.519 1.822 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738532 444196811 /nfs/dbraw/zinc/19/68/11/444196811.db2.gz GZAVFCLIULMSHU-ZBFHGGJFSA-N 1 3 335.448 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738532 444196812 /nfs/dbraw/zinc/19/68/12/444196812.db2.gz GZAVFCLIULMSHU-ZBFHGGJFSA-N 1 3 335.448 1.294 20 0 EDADHO CC(C)[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304414068 444249093 /nfs/dbraw/zinc/24/90/93/444249093.db2.gz VTFPJUMVRYSQSI-QGZVFWFLSA-N 1 3 340.512 1.251 20 0 EDADHO CCC[C@](C)(CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304882852 444254192 /nfs/dbraw/zinc/25/41/92/444254192.db2.gz IMGXQQSLGMWONW-GOSISDBHSA-N 1 3 340.512 1.395 20 0 EDADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000305331375 444269356 /nfs/dbraw/zinc/26/93/56/444269356.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 1 3 329.488 1.622 20 0 EDADHO O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000305331375 444269357 /nfs/dbraw/zinc/26/93/57/444269357.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 1 3 329.488 1.622 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000296505862 444234480 /nfs/dbraw/zinc/23/44/80/444234480.db2.gz RGAOFYYTXURELE-MRXNPFEDSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@H](N)c1ccccc1 ZINC000577868627 321690328 /nfs/dbraw/zinc/69/03/28/321690328.db2.gz CKCRPDSGHGNRMK-UAGQMJEPSA-N 1 3 331.460 1.536 20 0 EDADHO C[N@H+](C[C@@H](O)CN1CCN(c2ccnc3ccccc32)CC1)C1CC1 ZINC000297749703 444328838 /nfs/dbraw/zinc/32/88/38/444328838.db2.gz UEUDKQWKRJXUGU-QGZVFWFLSA-N 1 3 340.471 1.812 20 0 EDADHO C[N@@H+](C[C@@H](O)CN1CCN(c2ccnc3ccccc32)CC1)C1CC1 ZINC000297749703 444328839 /nfs/dbraw/zinc/32/88/39/444328839.db2.gz UEUDKQWKRJXUGU-QGZVFWFLSA-N 1 3 340.471 1.812 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000578759724 321826230 /nfs/dbraw/zinc/82/62/30/321826230.db2.gz GICBOAPIKAPGKO-UHFFFAOYSA-N 1 3 345.487 1.779 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340472997 444392331 /nfs/dbraw/zinc/39/23/31/444392331.db2.gz IYFJCHUOPFQGBL-HXUWFJFHSA-N 1 3 347.503 1.749 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580832257 322101113 /nfs/dbraw/zinc/10/11/13/322101113.db2.gz USNFMBPOHSMZHV-YFHUEUNASA-N 1 3 328.460 1.642 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000581061034 322130226 /nfs/dbraw/zinc/13/02/26/322130226.db2.gz BHKQJYGXPHHIKG-SFHVURJKSA-N 1 3 347.507 1.313 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000581142880 322142006 /nfs/dbraw/zinc/14/20/06/322142006.db2.gz IPGWOLPQRAKZCT-NEWSRXKRSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000581246269 322154240 /nfs/dbraw/zinc/15/42/40/322154240.db2.gz OCBWMYQWOBOMRE-XNIJUTNWSA-N 1 3 341.540 1.413 20 0 EDADHO O=C(NCCCNCc1cccnc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000581606766 322198479 /nfs/dbraw/zinc/19/84/79/322198479.db2.gz HLIADQVLRIJHQC-QGZVFWFLSA-N 1 3 342.447 1.112 20 0 EDADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000342129093 444524605 /nfs/dbraw/zinc/52/46/05/444524605.db2.gz NDMKMFYBIDLSMZ-KBPBESRZSA-N 1 3 333.432 1.144 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000332864814 444578166 /nfs/dbraw/zinc/57/81/66/444578166.db2.gz MLJBFCVEQIJOED-ZOBUZTSGSA-N 1 3 340.512 1.203 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830312 444701330 /nfs/dbraw/zinc/70/13/30/444701330.db2.gz MLJHDFFRGCDNIP-HLLBOEOZSA-N 1 3 338.496 1.269 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@H]12 ZINC000333931051 444721461 /nfs/dbraw/zinc/72/14/61/444721461.db2.gz ZQPDFWDONJDXPD-VSZNYVQBSA-N 1 3 328.460 1.640 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000341438378 444832460 /nfs/dbraw/zinc/83/24/60/444832460.db2.gz ZQIPFUYCRLDRFL-AWEZNQCLSA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000341438378 444832467 /nfs/dbraw/zinc/83/24/67/444832467.db2.gz ZQIPFUYCRLDRFL-AWEZNQCLSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000344235889 444855458 /nfs/dbraw/zinc/85/54/58/444855458.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000344235889 444855462 /nfs/dbraw/zinc/85/54/62/444855462.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000342772855 444860387 /nfs/dbraw/zinc/86/03/87/444860387.db2.gz BDEVCZKHBHXBJE-KBAYOESNSA-N 1 3 335.492 1.715 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC000342089884 445166120 /nfs/dbraw/zinc/16/61/20/445166120.db2.gz BQIOJVKLNBICMY-UHFFFAOYSA-N 1 3 344.503 1.500 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1 ZINC000343265656 445168089 /nfs/dbraw/zinc/16/80/89/445168089.db2.gz FCLLBKFNFKIFGM-AEFFLSMTSA-N 1 3 344.503 1.622 20 0 EDADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000343270879 445171309 /nfs/dbraw/zinc/17/13/09/445171309.db2.gz ARVKOVPCXQWPDB-RTBURBONSA-N 1 3 348.535 1.491 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343251235 445161525 /nfs/dbraw/zinc/16/15/25/445161525.db2.gz MDHCTNAXKAOSIL-QRVBRYPASA-N 1 3 338.540 1.151 20 0 EDADHO COc1cccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c1OC(C)C ZINC000347070145 445230775 /nfs/dbraw/zinc/23/07/75/445230775.db2.gz PQKNSZGOOPWJBR-INIZCTEOSA-N 1 3 349.475 1.769 20 0 EDADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000348522068 445313751 /nfs/dbraw/zinc/31/37/51/445313751.db2.gz VGDORAKOPRCRLQ-OKZBNKHCSA-N 1 3 340.508 1.643 20 0 EDADHO OCC[C@@H]1CCC[C@H]1NCC1(C[NH2+][C@H]2CCC[C@H]2CCO)COC1 ZINC000348145039 445288412 /nfs/dbraw/zinc/28/84/12/445288412.db2.gz BZSQKOMFTFCONH-XLAORIBOSA-N 1 3 340.508 1.284 20 0 EDADHO OCC[C@@H]1CCC[C@H]1[NH2+]CC1(CN[C@H]2CCC[C@H]2CCO)COC1 ZINC000348145039 445288415 /nfs/dbraw/zinc/28/84/15/445288415.db2.gz BZSQKOMFTFCONH-XLAORIBOSA-N 1 3 340.508 1.284 20 0 EDADHO CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(CC)CC ZINC000343670176 445293240 /nfs/dbraw/zinc/29/32/40/445293240.db2.gz DAKRVSREJUWBQU-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349026241 445479682 /nfs/dbraw/zinc/47/96/82/445479682.db2.gz JINDYPNLGQMUOC-UHFFFAOYSA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349026241 445479685 /nfs/dbraw/zinc/47/96/85/445479685.db2.gz JINDYPNLGQMUOC-UHFFFAOYSA-N 1 3 345.487 1.736 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000360002216 445521886 /nfs/dbraw/zinc/52/18/86/445521886.db2.gz ANOOFHZQNROBOO-IRXDYDNUSA-N 1 3 337.489 1.415 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@@H](OC)CN1C ZINC000358165732 445609897 /nfs/dbraw/zinc/60/98/97/445609897.db2.gz OMJHXJOYECRTIZ-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@@H](OC)CN1C ZINC000358165732 445609903 /nfs/dbraw/zinc/60/99/03/445609903.db2.gz OMJHXJOYECRTIZ-ARFHVFGLSA-N 1 3 328.501 1.467 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCc1ccc2c(c1)OCO2 ZINC000358521219 445630888 /nfs/dbraw/zinc/63/08/88/445630888.db2.gz XSAXZGIWTWMRMY-UHFFFAOYSA-N 1 3 331.416 1.107 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NCCNc2cc[nH+]cc2)N(C)C)cc1 ZINC000356131526 445637674 /nfs/dbraw/zinc/63/76/74/445637674.db2.gz CMLHESYXVJIJAR-SFHVURJKSA-N 1 3 341.459 1.826 20 0 EDADHO CN(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000353645041 445691382 /nfs/dbraw/zinc/69/13/82/445691382.db2.gz AUXSZIINAUDRER-DAWZGUTISA-N 1 3 333.476 1.169 20 0 EDADHO CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCCC1 ZINC000358658575 445698650 /nfs/dbraw/zinc/69/86/50/445698650.db2.gz FFNRSMAUYHCNRH-FUHWJXTLSA-N 1 3 340.512 1.253 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000353683399 445705622 /nfs/dbraw/zinc/70/56/22/445705622.db2.gz FMAACUIELQPHEB-ZWKOTPCHSA-N 1 3 333.476 1.458 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCOCCN(C)C ZINC000353688045 445708113 /nfs/dbraw/zinc/70/81/13/445708113.db2.gz NWOBDXBJMFWFKP-AWEZNQCLSA-N 1 3 333.432 1.229 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000358679855 445712169 /nfs/dbraw/zinc/71/21/69/445712169.db2.gz AXFXKBAAFHVMGG-KRWDZBQOSA-N 1 3 326.485 1.008 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349917380 445720721 /nfs/dbraw/zinc/72/07/21/445720721.db2.gz ZTSLIWHMEUQCMA-SFHVURJKSA-N 1 3 348.491 1.386 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349917380 445720724 /nfs/dbraw/zinc/72/07/24/445720724.db2.gz ZTSLIWHMEUQCMA-SFHVURJKSA-N 1 3 348.491 1.386 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356403381 445773568 /nfs/dbraw/zinc/77/35/68/445773568.db2.gz UMDTZMYVMNCADB-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@H+](CCC1CCN(CCCS(N)(=O)=O)CC1)CC(C)C ZINC000358763184 445762554 /nfs/dbraw/zinc/76/25/54/445762554.db2.gz BFDWRTBQPGWHCV-UHFFFAOYSA-N 1 3 333.542 1.745 20 0 EDADHO CC[N@@H+](CCC1CCN(CCCS(N)(=O)=O)CC1)CC(C)C ZINC000358763184 445762557 /nfs/dbraw/zinc/76/25/57/445762557.db2.gz BFDWRTBQPGWHCV-UHFFFAOYSA-N 1 3 333.542 1.745 20 0 EDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)[C@@H]1C ZINC000353927949 445816029 /nfs/dbraw/zinc/81/60/29/445816029.db2.gz JRWHTMAUSIPXBP-HLLBOEOZSA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000356537647 445848085 /nfs/dbraw/zinc/84/80/85/445848085.db2.gz WVKLHJSOTBQZNS-KRWDZBQOSA-N 1 3 340.512 1.611 20 0 EDADHO Cc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OCCN(C)C)c1 ZINC000582594066 325881128 /nfs/dbraw/zinc/88/11/28/325881128.db2.gz ZPBNJDUPIMJKQO-ZBFHGGJFSA-N 1 3 332.448 1.761 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000373039182 445989339 /nfs/dbraw/zinc/98/93/39/445989339.db2.gz ZUUAUOUQNVELEK-INIZCTEOSA-N 1 3 335.492 1.432 20 0 EDADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(Cl)cc1 ZINC000584108122 326200994 /nfs/dbraw/zinc/20/09/94/326200994.db2.gz NMXJMKJRSPRNGJ-SJORKVTESA-N 1 3 325.884 1.987 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000584221330 326221859 /nfs/dbraw/zinc/22/18/59/326221859.db2.gz SMXXAKWOUCKAQR-SFHVURJKSA-N 1 3 340.512 1.565 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)C1 ZINC000359257053 446092431 /nfs/dbraw/zinc/09/24/31/446092431.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)C1 ZINC000359257053 446092433 /nfs/dbraw/zinc/09/24/33/446092433.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000366386990 446185724 /nfs/dbraw/zinc/18/57/24/446185724.db2.gz AIVPBQDOAYSCQH-UHFFFAOYSA-N 1 3 344.459 1.214 20 0 EDADHO CCC[C@@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366326604 446152775 /nfs/dbraw/zinc/15/27/75/446152775.db2.gz RBCJEZOIJXQSLW-GOSISDBHSA-N 1 3 338.540 1.769 20 0 EDADHO CO[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000365722867 446315967 /nfs/dbraw/zinc/31/59/67/446315967.db2.gz ZDMVPZCSHCCBQZ-QGZVFWFLSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C[C@H]1[NH3+] ZINC000417527978 446362042 /nfs/dbraw/zinc/36/20/42/446362042.db2.gz OQEZBZKAOQBSLH-RHSMWYFYSA-N 1 3 334.464 1.158 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000417530120 446363053 /nfs/dbraw/zinc/36/30/53/446363053.db2.gz RWMMCRIZOIFSFB-UHFFFAOYSA-N 1 3 348.491 1.563 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418074676 446432355 /nfs/dbraw/zinc/43/23/55/446432355.db2.gz OBBRLYHZJHRBBH-SJLPKXTDSA-N 1 3 348.491 1.704 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099474 446440441 /nfs/dbraw/zinc/44/04/41/446440441.db2.gz NNUVMIXIXSFWDI-KRWDZBQOSA-N 1 3 347.507 1.981 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418165902 446443731 /nfs/dbraw/zinc/44/37/31/446443731.db2.gz IREAXSYZFSCMFZ-HNNXBMFYSA-N 1 3 327.517 1.027 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420282681 446449723 /nfs/dbraw/zinc/44/97/23/446449723.db2.gz BAEUMHJHUBFLKO-QZTJIDSGSA-N 1 3 334.508 1.711 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417996969 446411064 /nfs/dbraw/zinc/41/10/64/446411064.db2.gz REHFIOKVVKNNGB-OLMNPRSZSA-N 1 3 346.475 1.050 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCCN1C ZINC000418012703 446415502 /nfs/dbraw/zinc/41/55/02/446415502.db2.gz YBBDCOHKVHFLMZ-NRSFXHEJSA-N 1 3 330.476 1.853 20 0 EDADHO CCCN(C(=O)NCc1ccncc1OCCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000418191123 446453985 /nfs/dbraw/zinc/45/39/85/446453985.db2.gz KEPMKIGQOLVJTR-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326710 446493622 /nfs/dbraw/zinc/49/36/22/446493622.db2.gz KMHFPIPQJIDRAF-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326710 446493628 /nfs/dbraw/zinc/49/36/28/446493628.db2.gz KMHFPIPQJIDRAF-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326710 446493633 /nfs/dbraw/zinc/49/36/33/446493633.db2.gz KMHFPIPQJIDRAF-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO [NH3+]C[C@H]1CN(CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326298 446493860 /nfs/dbraw/zinc/49/38/60/446493860.db2.gz JSJKKPUGTOSUST-HNNXBMFYSA-N 1 3 348.443 1.872 20 0 EDADHO NC[C@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326298 446493864 /nfs/dbraw/zinc/49/38/64/446493864.db2.gz JSJKKPUGTOSUST-HNNXBMFYSA-N 1 3 348.443 1.872 20 0 EDADHO NC[C@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326298 446493867 /nfs/dbraw/zinc/49/38/67/446493867.db2.gz JSJKKPUGTOSUST-HNNXBMFYSA-N 1 3 348.443 1.872 20 0 EDADHO COC[C@]1(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368594 446504816 /nfs/dbraw/zinc/50/48/16/446504816.db2.gz BFAIMCHAGBEYPX-KXBFYZLASA-N 1 3 333.476 1.858 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000420328903 446497622 /nfs/dbraw/zinc/49/76/22/446497622.db2.gz NKICXWONVKQDSY-FGTMMUONSA-N 1 3 343.471 1.428 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418403931 446532486 /nfs/dbraw/zinc/53/24/86/446532486.db2.gz IUBVGOJXDVVWGN-JENIJYKNSA-N 1 3 346.475 1.050 20 0 EDADHO COC[C@]1(CN[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCC[NH2+]1 ZINC000423429695 446532982 /nfs/dbraw/zinc/53/29/82/446532982.db2.gz PFAGXAZETUHBMB-YTQUADARSA-N 1 3 332.492 1.650 20 0 EDADHO COC[C@]1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCCN1 ZINC000423429695 446532990 /nfs/dbraw/zinc/53/29/90/446532990.db2.gz PFAGXAZETUHBMB-YTQUADARSA-N 1 3 332.492 1.650 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418477618 446557784 /nfs/dbraw/zinc/55/77/84/446557784.db2.gz YHDMUGUPQRDUQW-LSDHHAIUSA-N 1 3 326.485 1.399 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418502217 446569067 /nfs/dbraw/zinc/56/90/67/446569067.db2.gz UESHOZQJRXMDLZ-SFHVURJKSA-N 1 3 332.492 1.930 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCCCC[NH3+] ZINC000418507379 446572237 /nfs/dbraw/zinc/57/22/37/446572237.db2.gz IUSPRCRAEIZZTO-UHFFFAOYSA-N 1 3 328.407 1.777 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464615 446577734 /nfs/dbraw/zinc/57/77/34/446577734.db2.gz DBTZGRNJSOOFKE-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000423572429 446580345 /nfs/dbraw/zinc/58/03/45/446580345.db2.gz XFCLURITIHLNRG-INIZCTEOSA-N 1 3 332.448 1.287 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000418540958 446586097 /nfs/dbraw/zinc/58/60/97/446586097.db2.gz AQLLYQSLJDWPCA-COXVUDFISA-N 1 3 334.464 1.738 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418553887 446592591 /nfs/dbraw/zinc/59/25/91/446592591.db2.gz ICBTZMDZDNTWHA-QAPCUYQASA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000418667815 446642394 /nfs/dbraw/zinc/64/23/94/446642394.db2.gz GXIHMYHKFGTBQY-DZJNRPSUSA-N 1 3 328.460 1.368 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683215 446647777 /nfs/dbraw/zinc/64/77/77/446647777.db2.gz JOLJFZZOGNUXHE-FCGDIQPGSA-N 1 3 342.487 1.868 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418757599 446677038 /nfs/dbraw/zinc/67/70/38/446677038.db2.gz HRAICSZNQTYCAO-GOSISDBHSA-N 1 3 347.507 1.183 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)C2([NH3+])Cc3ccccc3C2)C[C@H](C)O1 ZINC000376695653 446657913 /nfs/dbraw/zinc/65/79/13/446657913.db2.gz RCCJIXFZVMSPAE-HOTGVXAUSA-N 1 3 345.487 1.488 20 0 EDADHO CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423730129 446664824 /nfs/dbraw/zinc/66/48/24/446664824.db2.gz NHEXHRKZQSUSPT-LJQANCHMSA-N 1 3 344.503 1.705 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)C1 ZINC000418641872 446628990 /nfs/dbraw/zinc/62/89/90/446628990.db2.gz SRXIHQKWTQNWFA-HKUYNNGSSA-N 1 3 328.460 1.611 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3NCCc4ccccc43)C2)C1 ZINC000418641872 446628994 /nfs/dbraw/zinc/62/89/94/446628994.db2.gz SRXIHQKWTQNWFA-HKUYNNGSSA-N 1 3 328.460 1.611 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418647512 446632136 /nfs/dbraw/zinc/63/21/36/446632136.db2.gz GRCHFWWFZGVEMF-WMZOPIPTSA-N 1 3 348.491 1.395 20 0 EDADHO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)C12CCCN1CCC2 ZINC000368193898 446700721 /nfs/dbraw/zinc/70/07/21/446700721.db2.gz OHFDHJLWJDHSIT-UHFFFAOYSA-N 1 3 331.464 1.936 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000411814643 446679538 /nfs/dbraw/zinc/67/95/38/446679538.db2.gz DPLKFNWPQONVDV-INIZCTEOSA-N 1 3 332.492 1.983 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454536846 446905134 /nfs/dbraw/zinc/90/51/34/446905134.db2.gz GLERZXBMXQBNRS-MRXNPFEDSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419096419 446921586 /nfs/dbraw/zinc/92/15/86/446921586.db2.gz CGDSQTWBTRRFGK-PMPSAXMXSA-N 1 3 338.496 1.095 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]21 ZINC000371552510 446928873 /nfs/dbraw/zinc/92/88/73/446928873.db2.gz JBYLSNRKLBCKFR-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]21 ZINC000371552510 446928876 /nfs/dbraw/zinc/92/88/76/446928876.db2.gz JBYLSNRKLBCKFR-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419117550 446935175 /nfs/dbraw/zinc/93/51/75/446935175.db2.gz HLXWIYLUWVTGNF-JKSUJKDBSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173650 446969891 /nfs/dbraw/zinc/96/98/91/446969891.db2.gz PJRIPSJUFMCEPZ-IKGGRYGDSA-N 1 3 338.496 1.269 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000421012836 446986526 /nfs/dbraw/zinc/98/65/26/446986526.db2.gz QSZIIMBXIYSABT-GOSISDBHSA-N 1 3 341.540 1.654 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000421012836 446986538 /nfs/dbraw/zinc/98/65/38/446986538.db2.gz QSZIIMBXIYSABT-GOSISDBHSA-N 1 3 341.540 1.654 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000372427971 447057764 /nfs/dbraw/zinc/05/77/64/447057764.db2.gz KMLGCQJCYFRVNL-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000372427971 447057770 /nfs/dbraw/zinc/05/77/70/447057770.db2.gz KMLGCQJCYFRVNL-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO C[N@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CCCCC1 ZINC000419406865 447156503 /nfs/dbraw/zinc/15/65/03/447156503.db2.gz JMEBAQPQIGGIJB-INIZCTEOSA-N 1 3 338.496 1.097 20 0 EDADHO C[N@@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1CN)C1CCCCC1 ZINC000419406865 447156511 /nfs/dbraw/zinc/15/65/11/447156511.db2.gz JMEBAQPQIGGIJB-INIZCTEOSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535866 447247136 /nfs/dbraw/zinc/24/71/36/447247136.db2.gz AFGXCZICGXBTLJ-UKRRQHHQSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CN1C1CC1 ZINC000372699550 447231818 /nfs/dbraw/zinc/23/18/18/447231818.db2.gz CUYFYZJEAOUTFP-WBVHZDCISA-N 1 3 345.491 1.724 20 0 EDADHO C[C@@H](CCNC[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631021 447453057 /nfs/dbraw/zinc/45/30/57/447453057.db2.gz LQFZLJZIJXRYQF-HKUYNNGSSA-N 1 3 335.492 1.180 20 0 EDADHO C[C@@H](CCNC[C@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631021 447453065 /nfs/dbraw/zinc/45/30/65/447453065.db2.gz LQFZLJZIJXRYQF-HKUYNNGSSA-N 1 3 335.492 1.180 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000390748648 447496888 /nfs/dbraw/zinc/49/68/88/447496888.db2.gz RDSFYCROCXGBRJ-IEBWSBKVSA-N 1 3 331.460 1.393 20 0 EDADHO CC(C)([NH3+])CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390871533 447504960 /nfs/dbraw/zinc/50/49/60/447504960.db2.gz QCVFVUHWNRVNGM-KRWDZBQOSA-N 1 3 333.476 1.911 20 0 EDADHO C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924639 447506149 /nfs/dbraw/zinc/50/61/49/447506149.db2.gz IWOSQKKZRFTOPL-UYAOXDASSA-N 1 3 345.487 1.926 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCC[NH2+]1 ZINC000390942806 447507130 /nfs/dbraw/zinc/50/71/30/447507130.db2.gz QZMHMQRYWUEERZ-QZTJIDSGSA-N 1 3 331.460 1.536 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCC1 ZINC000457438460 447581718 /nfs/dbraw/zinc/58/17/18/447581718.db2.gz MIOJPMDHVDVEHK-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000393083965 447529200 /nfs/dbraw/zinc/52/92/00/447529200.db2.gz IIIZBCHHSYRCIX-RBUKOAKNSA-N 1 3 346.519 1.855 20 0 EDADHO O[C@H](CNCCCn1cc(Br)cn1)C[NH+]1CCCC1 ZINC000394036021 447534439 /nfs/dbraw/zinc/53/44/39/447534439.db2.gz MGVFEEQTWBHHBY-CYBMUJFWSA-N 1 3 331.258 1.082 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192914 447557068 /nfs/dbraw/zinc/55/70/68/447557068.db2.gz ZYOPEHHUYDJMGL-POAQFYNOSA-N 1 3 345.487 1.639 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420088383 447594590 /nfs/dbraw/zinc/59/45/90/447594590.db2.gz BZJSGXFEIPVLQP-SFHVURJKSA-N 1 3 340.512 1.073 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCC(C)CC1 ZINC000458055097 447710217 /nfs/dbraw/zinc/71/02/17/447710217.db2.gz VEEDZFYEODCAAU-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000496109263 447714257 /nfs/dbraw/zinc/71/42/57/447714257.db2.gz RARGKNZIWQQWRC-FVQBIDKESA-N 1 3 341.496 1.819 20 0 EDADHO C[C@@H]1[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CCCN1C(=O)OC(C)(C)C ZINC000496109263 447714263 /nfs/dbraw/zinc/71/42/63/447714263.db2.gz RARGKNZIWQQWRC-FVQBIDKESA-N 1 3 341.496 1.819 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000422754714 447740543 /nfs/dbraw/zinc/74/05/43/447740543.db2.gz AQXCPLAFNIZBPA-ICSRJNTNSA-N 1 3 330.520 1.782 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000422773566 447747638 /nfs/dbraw/zinc/74/76/38/447747638.db2.gz YRHSLHFFJVSDMN-WBVHZDCISA-N 1 3 333.476 1.779 20 0 EDADHO COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CCC[C@@H]1CN)CC2 ZINC000422773566 447747640 /nfs/dbraw/zinc/74/76/40/447747640.db2.gz YRHSLHFFJVSDMN-WBVHZDCISA-N 1 3 333.476 1.779 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777847 447748406 /nfs/dbraw/zinc/74/84/06/447748406.db2.gz GIVRYZBVJZUCKE-ZBFHGGJFSA-N 1 3 328.464 1.902 20 0 EDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000422802099 447754616 /nfs/dbraw/zinc/75/46/16/447754616.db2.gz AWDFGQNUKUTBIR-KDOFPFPSSA-N 1 3 347.484 1.425 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422824068 447760162 /nfs/dbraw/zinc/76/01/62/447760162.db2.gz GDZIAERHEOQDII-LSDHHAIUSA-N 1 3 336.480 1.738 20 0 EDADHO COc1cc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000422824109 447761176 /nfs/dbraw/zinc/76/11/76/447761176.db2.gz MXDNZMUINYYSGE-PMRDEQMMSA-N 1 3 334.460 1.727 20 0 EDADHO [NH3+]CCCOC1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000430557164 447778481 /nfs/dbraw/zinc/77/84/81/447778481.db2.gz RXFWQNQMCCGGBU-UHFFFAOYSA-N 1 3 348.447 1.555 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023652 447789991 /nfs/dbraw/zinc/78/99/91/447789991.db2.gz MOOKYMJBDCKUBJ-KURKYZTESA-N 1 3 338.540 1.674 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522924906 447864297 /nfs/dbraw/zinc/86/42/97/447864297.db2.gz MNTLXTGBEYGQFY-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000522924906 447864304 /nfs/dbraw/zinc/86/43/04/447864304.db2.gz MNTLXTGBEYGQFY-ZWKOTPCHSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1nc(N2CCN3CCC2CC3)cc(N2CC[NH+]3CCC2CC3)n1 ZINC000530325098 447860287 /nfs/dbraw/zinc/86/02/87/447860287.db2.gz SZKWTJXDPZISCQ-UHFFFAOYSA-N 1 3 342.491 1.354 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496577838 447825086 /nfs/dbraw/zinc/82/50/86/447825086.db2.gz NUDPUSWVQVQACK-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C[C@@H]3CN(C)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000496843408 447960411 /nfs/dbraw/zinc/96/04/11/447960411.db2.gz AVCSNUQCJKIBPU-FMKPAKJESA-N 1 3 325.453 1.258 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574991 447917185 /nfs/dbraw/zinc/91/71/85/447917185.db2.gz QAYZLEHLTWORFK-QUCCMNQESA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574991 447917189 /nfs/dbraw/zinc/91/71/89/447917189.db2.gz QAYZLEHLTWORFK-QUCCMNQESA-N 1 3 345.487 1.470 20 0 EDADHO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000531189055 448035055 /nfs/dbraw/zinc/03/50/55/448035055.db2.gz LLTKULZQPOIJIM-OAHLLOKOSA-N 1 3 348.495 1.922 20 0 EDADHO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000531189055 448035059 /nfs/dbraw/zinc/03/50/59/448035059.db2.gz LLTKULZQPOIJIM-OAHLLOKOSA-N 1 3 348.495 1.922 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H]3CCOC3)CC2)CC1 ZINC000576647012 448105652 /nfs/dbraw/zinc/10/56/52/448105652.db2.gz OLERRMWNSFCESJ-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000571303870 448132792 /nfs/dbraw/zinc/13/27/92/448132792.db2.gz BZBSJBNOLRANRQ-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(CN(C)C)CCCC2)C[C@H](C)O1 ZINC000577172976 448224561 /nfs/dbraw/zinc/22/45/61/448224561.db2.gz OQVYLAUUYSVPFB-IXDOHACOSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000577172976 448224565 /nfs/dbraw/zinc/22/45/65/448224565.db2.gz OQVYLAUUYSVPFB-IXDOHACOSA-N 1 3 327.513 1.168 20 0 EDADHO CCN(C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497295 448323288 /nfs/dbraw/zinc/32/32/88/448323288.db2.gz WEAJYZLZJLWFRO-ROUUACIJSA-N 1 3 336.476 1.419 20 0 EDADHO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000515232779 448279177 /nfs/dbraw/zinc/27/91/77/448279177.db2.gz UBRUXYAXLZITAY-KZKMVBDOSA-N 1 3 337.493 1.936 20 0 EDADHO C[NH+](C)CCCCC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000516011535 448368902 /nfs/dbraw/zinc/36/89/02/448368902.db2.gz OKJDIAOICBZJJG-UHFFFAOYSA-N 1 3 347.503 1.862 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000577723886 448369217 /nfs/dbraw/zinc/36/92/17/448369217.db2.gz IPTWUCKOUOBQJV-GOSISDBHSA-N 1 3 347.507 1.313 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@H](N)c1ccccc1 ZINC000577868629 448408591 /nfs/dbraw/zinc/40/85/91/448408591.db2.gz CKCRPDSGHGNRMK-XIRDDKMYSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)n1cnc2ccccc21 ZINC000533505102 448412782 /nfs/dbraw/zinc/41/27/82/448412782.db2.gz MEMKNZJGOXUOJT-OAHLLOKOSA-N 1 3 331.464 1.549 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000591727503 448473781 /nfs/dbraw/zinc/47/37/81/448473781.db2.gz DRIMXWPZJKWUSB-WMLDXEAASA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727503 448473788 /nfs/dbraw/zinc/47/37/88/448473788.db2.gz DRIMXWPZJKWUSB-WMLDXEAASA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727503 448473793 /nfs/dbraw/zinc/47/37/93/448473793.db2.gz DRIMXWPZJKWUSB-WMLDXEAASA-N 1 3 348.443 1.287 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000516783469 448474580 /nfs/dbraw/zinc/47/45/80/448474580.db2.gz BACRPJBXAGNVDF-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCOC[C@H]3C)CC2)CC1 ZINC000566449762 448477169 /nfs/dbraw/zinc/47/71/69/448477169.db2.gz RQQQDECFVGOJPC-QAPCUYQASA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000578358511 448527887 /nfs/dbraw/zinc/52/78/87/448527887.db2.gz FBIZDYGRSLPXKQ-OALUTQOASA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000578358511 448527891 /nfs/dbraw/zinc/52/78/91/448527891.db2.gz FBIZDYGRSLPXKQ-OALUTQOASA-N 1 3 336.476 1.519 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCC(C)CC2)cc1 ZINC000566797164 448561091 /nfs/dbraw/zinc/56/10/91/448561091.db2.gz GXBMHFJILAVRPZ-ROUUACIJSA-N 1 3 336.476 1.417 20 0 EDADHO CN1CCN(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1(C)C ZINC000573557413 448656996 /nfs/dbraw/zinc/65/69/96/448656996.db2.gz AVNSYIDLAGHCJC-UHFFFAOYSA-N 1 3 336.455 1.770 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000540964026 448659878 /nfs/dbraw/zinc/65/98/78/448659878.db2.gz QMOUSDFIDFUFSU-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NCCNc1ccncc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000579326226 448766764 /nfs/dbraw/zinc/76/67/64/448766764.db2.gz HAPRFDMRWWCCDG-INIZCTEOSA-N 1 3 334.489 1.249 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000567779370 448760173 /nfs/dbraw/zinc/76/01/73/448760173.db2.gz MWNDGXQRKVKDEJ-QAPCUYQASA-N 1 3 330.476 1.048 20 0 EDADHO C[C@@H](CCNC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195367 448814312 /nfs/dbraw/zinc/81/43/12/448814312.db2.gz UZJXUWCBJBWPRX-BSDSXHPESA-N 1 3 327.513 1.311 20 0 EDADHO C[C@@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)N1CCCCC1 ZINC000574195367 448814318 /nfs/dbraw/zinc/81/43/18/448814318.db2.gz UZJXUWCBJBWPRX-BSDSXHPESA-N 1 3 327.513 1.311 20 0 EDADHO COCCN1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519693831 448820603 /nfs/dbraw/zinc/82/06/03/448820603.db2.gz RHVHNZZDZKFPIY-HNNXBMFYSA-N 1 3 334.420 1.011 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000519693831 448820607 /nfs/dbraw/zinc/82/06/07/448820607.db2.gz RHVHNZZDZKFPIY-HNNXBMFYSA-N 1 3 334.420 1.011 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000519693831 448820612 /nfs/dbraw/zinc/82/06/12/448820612.db2.gz RHVHNZZDZKFPIY-HNNXBMFYSA-N 1 3 334.420 1.011 20 0 EDADHO N[C@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529332148 448829408 /nfs/dbraw/zinc/82/94/08/448829408.db2.gz HLWHNHRGUPMAAO-ZWKOTPCHSA-N 1 3 346.475 1.487 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCN3C)CC2)CC1 ZINC000568199382 448836959 /nfs/dbraw/zinc/83/69/59/448836959.db2.gz VVMXNGCBTKLZBU-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO COC(=O)c1cc2cc(CN(C)CCN3CC[NH2+]CC3)ccc2o1 ZINC000592472279 448851762 /nfs/dbraw/zinc/85/17/62/448851762.db2.gz SKCVHZDVYHAHCH-UHFFFAOYSA-N 1 3 331.416 1.556 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncc(C)o3)CC2)CC1 ZINC000579728594 448866073 /nfs/dbraw/zinc/86/60/73/448866073.db2.gz FULWVNVTLYOQRS-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CC[C@@H]1CN(CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489684 448860442 /nfs/dbraw/zinc/86/04/42/448860442.db2.gz ZQNDKOKUDFLDTE-CVEARBPZSA-N 1 3 332.448 1.462 20 0 EDADHO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CN2CCC1CC2 ZINC000520372328 448888968 /nfs/dbraw/zinc/88/89/68/448888968.db2.gz KKFNPKFWUOMVBR-OALUTQOASA-N 1 3 342.487 1.846 20 0 EDADHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CN2CCC1CC2 ZINC000520372328 448888972 /nfs/dbraw/zinc/88/89/72/448888972.db2.gz KKFNPKFWUOMVBR-OALUTQOASA-N 1 3 342.487 1.846 20 0 EDADHO C[C@H]1CN(CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301460 448995259 /nfs/dbraw/zinc/99/52/59/448995259.db2.gz GOKDGNSJUDEXBW-INIZCTEOSA-N 1 3 334.464 1.525 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)CCN(C)c2ccncc2)CCCO1 ZINC000569301460 448995264 /nfs/dbraw/zinc/99/52/64/448995264.db2.gz GOKDGNSJUDEXBW-INIZCTEOSA-N 1 3 334.464 1.525 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)CCN(C)c2ccncc2)CCCO1 ZINC000569301460 448995266 /nfs/dbraw/zinc/99/52/66/448995266.db2.gz GOKDGNSJUDEXBW-INIZCTEOSA-N 1 3 334.464 1.525 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCCN(C4CCCC4)CC3)c21 ZINC000592958319 449081356 /nfs/dbraw/zinc/08/13/56/449081356.db2.gz CDKJUPJOLOGOKB-OAHLLOKOSA-N 1 3 345.491 1.810 20 0 EDADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000595901467 449241751 /nfs/dbraw/zinc/24/17/51/449241751.db2.gz WNAPLBYSOWWPOA-OAHLLOKOSA-N 1 3 336.480 1.466 20 0 EDADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000602088122 449334879 /nfs/dbraw/zinc/33/48/79/449334879.db2.gz DPDRIYNPKXNAJE-UHFFFAOYSA-N 1 3 327.469 1.060 20 0 EDADHO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504710 449649288 /nfs/dbraw/zinc/64/92/88/449649288.db2.gz GVPVLGLISWCGNY-KBPBESRZSA-N 1 3 337.512 1.529 20 0 EDADHO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504710 449649293 /nfs/dbraw/zinc/64/92/93/449649293.db2.gz GVPVLGLISWCGNY-KBPBESRZSA-N 1 3 337.512 1.529 20 0 EDADHO CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617507009 449657088 /nfs/dbraw/zinc/65/70/88/449657088.db2.gz FEYXAQRLWAFKCW-HNNXBMFYSA-N 1 3 348.491 1.955 20 0 EDADHO CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617507009 449657089 /nfs/dbraw/zinc/65/70/89/449657089.db2.gz FEYXAQRLWAFKCW-HNNXBMFYSA-N 1 3 348.491 1.955 20 0 EDADHO CC(=O)Nc1ccccc1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507392 449658832 /nfs/dbraw/zinc/65/88/32/449658832.db2.gz VAHBGPOGVDFJHZ-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO CC(=O)Nc1ccccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507392 449658833 /nfs/dbraw/zinc/65/88/33/449658833.db2.gz VAHBGPOGVDFJHZ-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000617503672 449645773 /nfs/dbraw/zinc/64/57/73/449645773.db2.gz UCNOLOXRKIKGAZ-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cccn2)cc1 ZINC000617503672 449645778 /nfs/dbraw/zinc/64/57/78/449645778.db2.gz UCNOLOXRKIKGAZ-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)C1CCCCC1 ZINC000617503785 449646793 /nfs/dbraw/zinc/64/67/93/449646793.db2.gz ZEUGPGYFOYFUMZ-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)C1CCCCC1 ZINC000617503785 449646799 /nfs/dbraw/zinc/64/67/99/449646799.db2.gz ZEUGPGYFOYFUMZ-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO CC[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000612868225 449917679 /nfs/dbraw/zinc/91/76/79/449917679.db2.gz PUFOUQPWOLIPLB-PKOBYXMFSA-N 1 3 330.476 1.875 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227706 450458543 /nfs/dbraw/zinc/45/85/43/450458543.db2.gz ZNZDIUZCFFQZMM-IJEWVQPXSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623227706 450458544 /nfs/dbraw/zinc/45/85/44/450458544.db2.gz ZNZDIUZCFFQZMM-IJEWVQPXSA-N 1 3 335.496 1.464 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623631726 450555155 /nfs/dbraw/zinc/55/51/55/450555155.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623631726 450555159 /nfs/dbraw/zinc/55/51/59/450555159.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO Nc1nc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)nc(N)[nH+]1 ZINC000623853652 450615196 /nfs/dbraw/zinc/61/51/96/450615196.db2.gz BQJODIIOUGNUEC-GFCCVEGCSA-N 1 3 333.827 1.021 20 0 EDADHO NC1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCOCC1 ZINC000629389266 450642372 /nfs/dbraw/zinc/64/23/72/450642372.db2.gz XHRXHFFWBYUDOP-UHFFFAOYSA-N 1 3 330.388 1.403 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)CCCN(C)C ZINC000631744628 450746344 /nfs/dbraw/zinc/74/63/44/450746344.db2.gz WEVBSTWGDNGGGB-UHFFFAOYSA-N 1 3 341.521 1.898 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)CCCN(C)C ZINC000631744628 450746349 /nfs/dbraw/zinc/74/63/49/450746349.db2.gz WEVBSTWGDNGGGB-UHFFFAOYSA-N 1 3 341.521 1.898 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2)CC1 ZINC000627650364 450867980 /nfs/dbraw/zinc/86/79/80/450867980.db2.gz GZTLFLQQPOGUTC-BWTSREIZSA-N 1 3 342.487 1.461 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000631943022 450900571 /nfs/dbraw/zinc/90/05/71/450900571.db2.gz LFHCMYPGGNRJAD-CVEARBPZSA-N 1 3 329.510 1.409 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000635408915 450916054 /nfs/dbraw/zinc/91/60/54/450916054.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 1 3 349.519 1.964 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000635408915 450916057 /nfs/dbraw/zinc/91/60/57/450916057.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 1 3 349.519 1.964 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nnc(C)o1 ZINC000635463589 450963510 /nfs/dbraw/zinc/96/35/10/450963510.db2.gz AHVPBTFEAYTDFE-HNNXBMFYSA-N 1 3 337.468 1.185 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nnc(C)o1 ZINC000635463589 450963514 /nfs/dbraw/zinc/96/35/14/450963514.db2.gz AHVPBTFEAYTDFE-HNNXBMFYSA-N 1 3 337.468 1.185 20 0 EDADHO CCN1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018457 450971272 /nfs/dbraw/zinc/97/12/72/450971272.db2.gz CERXYBXESWWYNY-JKSUJKDBSA-N 1 3 331.526 1.607 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000626934074 451016691 /nfs/dbraw/zinc/01/66/91/451016691.db2.gz AVNNSNYAJLNTRH-SFHVURJKSA-N 1 3 348.491 1.701 20 0 EDADHO CC[C@H](CNC(=O)NCCOCC[NH2+]C)N1CCc2ccccc2C1 ZINC000626934630 451017580 /nfs/dbraw/zinc/01/75/80/451017580.db2.gz KLLDCSMEKIZLGJ-GOSISDBHSA-N 1 3 348.491 1.359 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626971332 451042151 /nfs/dbraw/zinc/04/21/51/451042151.db2.gz FCWJFHZRXILKRC-KBPBESRZSA-N 1 3 326.485 1.316 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000627022995 451087001 /nfs/dbraw/zinc/08/70/01/451087001.db2.gz GYOURDLPTVGNMS-FGTMMUONSA-N 1 3 330.476 1.948 20 0 EDADHO [NH3+]CC1(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000626978434 451047733 /nfs/dbraw/zinc/04/77/33/451047733.db2.gz CUWPFWSFEQHZIX-QGZVFWFLSA-N 1 3 346.475 1.458 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627111605 451128106 /nfs/dbraw/zinc/12/81/06/451128106.db2.gz CWRLABHQTXSDTQ-WMLDXEAASA-N 1 3 331.464 1.343 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627203692 451185000 /nfs/dbraw/zinc/18/50/00/451185000.db2.gz PCTRYKKIIFVHIV-NVXWUHKLSA-N 1 3 348.491 1.909 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638086930 451251459 /nfs/dbraw/zinc/25/14/59/451251459.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 1 3 346.519 1.682 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638086930 451251463 /nfs/dbraw/zinc/25/14/63/451251463.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@H](NC(=O)[C@@H](N)CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091647 451257558 /nfs/dbraw/zinc/25/75/58/451257558.db2.gz PGABUHWJUNSVPG-YJBOKZPZSA-N 1 3 332.492 1.292 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000640337469 451269054 /nfs/dbraw/zinc/26/90/54/451269054.db2.gz POFHDHNINQFBPL-UHFFFAOYSA-N 1 3 348.491 1.448 20 0 EDADHO COC[C@@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCCCN1 ZINC000638114572 451282514 /nfs/dbraw/zinc/28/25/14/451282514.db2.gz XOWVCDXJULEZJQ-GOSISDBHSA-N 1 3 325.497 1.918 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1 ZINC000638125573 451295984 /nfs/dbraw/zinc/29/59/84/451295984.db2.gz FNXJJBWJTXEUPQ-AOIWGVFYSA-N 1 3 331.460 1.486 20 0 EDADHO CC[NH2+][C@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000638137377 451311633 /nfs/dbraw/zinc/31/16/33/451311633.db2.gz JOQARTONMOLWGU-AEFFLSMTSA-N 1 3 332.492 1.479 20 0 EDADHO CO[C@]1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOC1 ZINC000638151529 451324627 /nfs/dbraw/zinc/32/46/27/451324627.db2.gz FJVMLNNTFXTURP-SFHVURJKSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@H]1NCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000638203331 451353762 /nfs/dbraw/zinc/35/37/62/451353762.db2.gz FATKNDRBHIVJIC-IAGOWNOFSA-N 1 3 344.503 1.579 20 0 EDADHO CN(C)CCn1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000638328832 451437451 /nfs/dbraw/zinc/43/74/51/451437451.db2.gz LGBJTQADXOVQDE-KRWDZBQOSA-N 1 3 329.448 1.655 20 0 EDADHO CN(C)c1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccn1 ZINC000640603451 451449395 /nfs/dbraw/zinc/44/93/95/451449395.db2.gz VVHKSNQUANGRCP-UHFFFAOYSA-N 1 3 348.495 1.637 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2cccnc2-n2cccn2)CC1 ZINC000638352418 451452548 /nfs/dbraw/zinc/45/25/48/451452548.db2.gz LSBKVXDREOOAMS-UHFFFAOYSA-N 1 3 329.448 1.592 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638363991 451461812 /nfs/dbraw/zinc/46/18/12/451461812.db2.gz UXOIENKEMPQWNO-ZDUSSCGKSA-N 1 3 328.407 1.359 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000638376039 451471382 /nfs/dbraw/zinc/47/13/82/451471382.db2.gz GYQSFXHRRUYLLO-SFHVURJKSA-N 1 3 332.492 1.246 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638375313 451472071 /nfs/dbraw/zinc/47/20/71/451472071.db2.gz XFQHVSXTKPLSHI-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO CC1CCN(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634700162 451473508 /nfs/dbraw/zinc/47/35/08/451473508.db2.gz UVMUYUBGTIMQTR-HXUWFJFHSA-N 1 3 331.504 1.945 20 0 EDADHO CC1CCN(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700162 451473510 /nfs/dbraw/zinc/47/35/10/451473510.db2.gz UVMUYUBGTIMQTR-HXUWFJFHSA-N 1 3 331.504 1.945 20 0 EDADHO CC1CCN(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700162 451473516 /nfs/dbraw/zinc/47/35/16/451473516.db2.gz UVMUYUBGTIMQTR-HXUWFJFHSA-N 1 3 331.504 1.945 20 0 EDADHO O[C@]1(C[NH2+][C@H]2CCN3CCCC[C@@H]23)CCN(Cc2ccccc2)C1 ZINC000634699931 451474456 /nfs/dbraw/zinc/47/44/56/451474456.db2.gz QQYWZRFDBOJUOU-UFYCRDLUSA-N 1 3 329.488 1.840 20 0 EDADHO c1cc(N2CCN(CCC[NH2+]CCC3CCOCC3)CC2)ccn1 ZINC000638461703 451526961 /nfs/dbraw/zinc/52/69/61/451526961.db2.gz FWRKGBNEWKOCQS-UHFFFAOYSA-N 1 3 332.492 2.000 20 0 EDADHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539347 451567022 /nfs/dbraw/zinc/56/70/22/451567022.db2.gz OCDAHQWRFQOYSA-MRXNPFEDSA-N 1 3 349.450 1.662 20 0 EDADHO CC(C)n1ncnc1CNCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000631080256 451572806 /nfs/dbraw/zinc/57/28/06/451572806.db2.gz VJBZMLNODSYKJZ-UHFFFAOYSA-N 1 3 334.512 1.899 20 0 EDADHO CC(C)n1ncnc1CNCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000631080256 451572812 /nfs/dbraw/zinc/57/28/12/451572812.db2.gz VJBZMLNODSYKJZ-UHFFFAOYSA-N 1 3 334.512 1.899 20 0 EDADHO CC[C@@](C)([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640836460 451621319 /nfs/dbraw/zinc/62/13/19/451621319.db2.gz FDWRIOPHIRDSGE-CRAIPNDOSA-N 1 3 344.463 1.281 20 0 EDADHO CC[C@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640837175 451623250 /nfs/dbraw/zinc/62/32/50/451623250.db2.gz OBJASNLHUOLQOP-HOCLYGCPSA-N 1 3 330.436 1.107 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCOC1 ZINC000638718603 451665169 /nfs/dbraw/zinc/66/51/69/451665169.db2.gz JDLRFJZJAXLQLE-AZUAARDMSA-N 1 3 348.487 1.784 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632926078 451655169 /nfs/dbraw/zinc/65/51/69/451655169.db2.gz PECDIHHDOHKMAI-IRXDYDNUSA-N 1 3 346.500 1.856 20 0 EDADHO CO[C@]1(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCOC1 ZINC000638692650 451655943 /nfs/dbraw/zinc/65/59/43/451655943.db2.gz KMSZUYQIQIGLFO-SFHVURJKSA-N 1 3 325.497 1.332 20 0 EDADHO N[C@@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782780 451690085 /nfs/dbraw/zinc/69/00/85/451690085.db2.gz BMDOWCXINCIEMQ-ROUUACIJSA-N 1 3 331.460 1.694 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831145 451704475 /nfs/dbraw/zinc/70/44/75/451704475.db2.gz IVINNRPGFWOSOQ-UONOGXRCSA-N 1 3 347.381 1.788 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000638833997 451705666 /nfs/dbraw/zinc/70/56/66/451705666.db2.gz BYNFPGFUVQECDP-BPQIPLTHSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000638833997 451705670 /nfs/dbraw/zinc/70/56/70/451705670.db2.gz BYNFPGFUVQECDP-BPQIPLTHSA-N 1 3 331.460 1.249 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852686 451711266 /nfs/dbraw/zinc/71/12/66/451711266.db2.gz ZSPFWXSQHGPSAJ-OTWHNJEPSA-N 1 3 345.487 1.911 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637079515 451712542 /nfs/dbraw/zinc/71/25/42/451712542.db2.gz YXQMKFYUNPLBMA-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000632961508 451670237 /nfs/dbraw/zinc/67/02/37/451670237.db2.gz SELKAKIAUSBQOE-AWEZNQCLSA-N 1 3 334.468 1.804 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006333 451751807 /nfs/dbraw/zinc/75/18/07/451751807.db2.gz VXJLROZJPRUNRE-CVEARBPZSA-N 1 3 337.414 1.930 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639025905 451754166 /nfs/dbraw/zinc/75/41/66/451754166.db2.gz VFSIMMYEZZJXMF-IRXDYDNUSA-N 1 3 335.492 1.622 20 0 EDADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000639206170 451791478 /nfs/dbraw/zinc/79/14/78/451791478.db2.gz NLXPJLIGPOPVGP-CVEARBPZSA-N 1 3 338.496 1.016 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637372625 451804156 /nfs/dbraw/zinc/80/41/56/451804156.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637372625 451804162 /nfs/dbraw/zinc/80/41/62/451804162.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000637544929 451932735 /nfs/dbraw/zinc/93/27/35/451932735.db2.gz CJSXGTSGMRNYLI-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000637544929 451932738 /nfs/dbraw/zinc/93/27/38/451932738.db2.gz CJSXGTSGMRNYLI-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@@H](N)C2=O)c1 ZINC000649306280 451983485 /nfs/dbraw/zinc/98/34/85/451983485.db2.gz JUCRMFZWVWDWEQ-QGZVFWFLSA-N 1 3 346.475 1.094 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@@H](N)C2=O)c1 ZINC000649306280 451983490 /nfs/dbraw/zinc/98/34/90/451983490.db2.gz JUCRMFZWVWDWEQ-QGZVFWFLSA-N 1 3 346.475 1.094 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cnn1C ZINC000649306915 451984021 /nfs/dbraw/zinc/98/40/21/451984021.db2.gz ZBQAYFQYVZCUPM-ZZCKCESHSA-N 1 3 347.507 1.268 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000649311867 451990181 /nfs/dbraw/zinc/99/01/81/451990181.db2.gz XWGLHRLZOJSERJ-MAUKXSAKSA-N 1 3 330.476 1.545 20 0 EDADHO CC1([NH3+])CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000646991589 451991089 /nfs/dbraw/zinc/99/10/89/451991089.db2.gz GUURXFRYEWYULR-UHFFFAOYSA-N 1 3 344.503 1.929 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000649327238 452007205 /nfs/dbraw/zinc/00/72/05/452007205.db2.gz SKWHWUPEHAXLDG-BMFZPTHFSA-N 1 3 331.464 1.576 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350100 452032831 /nfs/dbraw/zinc/03/28/31/452032831.db2.gz FCCUYRIXBKPRHT-OALUTQOASA-N 1 3 344.503 1.425 20 0 EDADHO Cc1nccn1[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412995 452075924 /nfs/dbraw/zinc/07/59/24/452075924.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 1 3 328.460 1.759 20 0 EDADHO Cc1nccn1[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000649412995 452075928 /nfs/dbraw/zinc/07/59/28/452075928.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 1 3 328.460 1.759 20 0 EDADHO Cc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000649412995 452075935 /nfs/dbraw/zinc/07/59/35/452075935.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 1 3 328.460 1.759 20 0 EDADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181851 452110529 /nfs/dbraw/zinc/11/05/29/452110529.db2.gz VYYOWULBZVIJAK-FHLIZLRMSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1C[C@@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181851 452110538 /nfs/dbraw/zinc/11/05/38/452110538.db2.gz VYYOWULBZVIJAK-FHLIZLRMSA-N 1 3 331.460 1.651 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637844023 452112241 /nfs/dbraw/zinc/11/22/41/452112241.db2.gz IWHFZVVAYKKNNM-AWEZNQCLSA-N 1 3 347.463 1.407 20 0 EDADHO CCCN1C[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1=O ZINC000643294261 452120695 /nfs/dbraw/zinc/12/06/95/452120695.db2.gz UEZZDEGFVHYQEM-QGZVFWFLSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CN(C)CCO1 ZINC000643474920 452240908 /nfs/dbraw/zinc/24/09/08/452240908.db2.gz NOQWEEUTVHPPPF-WLWJZTKJSA-N 1 3 331.460 1.551 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CO)CCOC)CC1 ZINC000641767152 452243169 /nfs/dbraw/zinc/24/31/69/452243169.db2.gz YXZFGHYWADNNEJ-SFHVURJKSA-N 1 3 335.492 1.706 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000643481261 452244538 /nfs/dbraw/zinc/24/45/38/452244538.db2.gz AWSCMBXXEQCIPM-WMLDXEAASA-N 1 3 337.489 1.704 20 0 EDADHO Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCCN(C(=O)CN)C2)cn1 ZINC000647552496 452279376 /nfs/dbraw/zinc/27/93/76/452279376.db2.gz BRSSFGNEFCECHM-SFHVURJKSA-N 1 3 330.476 1.799 20 0 EDADHO Cc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCCN(C(=O)CN)C2)cn1 ZINC000647552496 452279386 /nfs/dbraw/zinc/27/93/86/452279386.db2.gz BRSSFGNEFCECHM-SFHVURJKSA-N 1 3 330.476 1.799 20 0 EDADHO NC[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C(F)(F)F ZINC000655505202 452303139 /nfs/dbraw/zinc/30/31/39/452303139.db2.gz SCMNQVLSIAEZEC-CYBMUJFWSA-N 1 3 328.338 1.610 20 0 EDADHO C[C@H](CCNC(=O)NCc1cccc(OCCN(C)C)c1)[NH+](C)C ZINC000663586526 452312418 /nfs/dbraw/zinc/31/24/18/452312418.db2.gz XUVJUSLTOCTBQL-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000661507862 452313053 /nfs/dbraw/zinc/31/30/53/452313053.db2.gz LWCQYHPWMHXQBJ-HNNXBMFYSA-N 1 3 331.464 1.786 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000661507862 452313061 /nfs/dbraw/zinc/31/30/61/452313061.db2.gz LWCQYHPWMHXQBJ-HNNXBMFYSA-N 1 3 331.464 1.786 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000659476734 452336588 /nfs/dbraw/zinc/33/65/88/452336588.db2.gz FOFCFCBYABRMOB-UHFFFAOYSA-N 1 3 329.448 1.431 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000665762619 452338896 /nfs/dbraw/zinc/33/88/96/452338896.db2.gz KLRBAWJBGAEQBE-ZOBUZTSGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000665762619 452338902 /nfs/dbraw/zinc/33/89/02/452338902.db2.gz KLRBAWJBGAEQBE-ZOBUZTSGSA-N 1 3 328.501 1.109 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000638062293 452354554 /nfs/dbraw/zinc/35/45/54/452354554.db2.gz DUSAVQLQDINUSZ-UYAOXDASSA-N 1 3 345.487 1.843 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC000652163244 452357450 /nfs/dbraw/zinc/35/74/50/452357450.db2.gz FPGKYVJIWITIQN-CWRNSKLLSA-N 1 3 326.510 1.194 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638073561 452383808 /nfs/dbraw/zinc/38/38/08/452383808.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638073561 452383812 /nfs/dbraw/zinc/38/38/12/452383812.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 1 3 330.476 1.189 20 0 EDADHO C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CCN(C)CC1 ZINC000645422604 452392689 /nfs/dbraw/zinc/39/26/89/452392689.db2.gz OWNRVYCPNUWLRK-OAHLLOKOSA-N 1 3 336.480 1.143 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCOC1 ZINC000638081300 452397910 /nfs/dbraw/zinc/39/79/10/452397910.db2.gz WZWSYJBRODXYQY-UYAOXDASSA-N 1 3 345.487 1.913 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659574981 452429437 /nfs/dbraw/zinc/42/94/37/452429437.db2.gz SENXHOYQMDXQJE-MRXNPFEDSA-N 1 3 334.464 1.869 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000659605873 452462561 /nfs/dbraw/zinc/46/25/61/452462561.db2.gz PMYMKIAVJNCIJH-HRCADAONSA-N 1 3 326.485 1.255 20 0 EDADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345387 452519551 /nfs/dbraw/zinc/51/95/51/452519551.db2.gz AWVZDFIMMRHUIX-GVDBMIGSSA-N 1 3 325.497 1.850 20 0 EDADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1CCN ZINC000652354122 452531756 /nfs/dbraw/zinc/53/17/56/452531756.db2.gz NLPCTGCFBLPUHP-XJKSGUPXSA-N 1 3 332.448 1.563 20 0 EDADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1CCN ZINC000652354122 452531764 /nfs/dbraw/zinc/53/17/64/452531764.db2.gz NLPCTGCFBLPUHP-XJKSGUPXSA-N 1 3 332.448 1.563 20 0 EDADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354122 452531771 /nfs/dbraw/zinc/53/17/71/452531771.db2.gz NLPCTGCFBLPUHP-XJKSGUPXSA-N 1 3 332.448 1.563 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881715 452587693 /nfs/dbraw/zinc/58/76/93/452587693.db2.gz YROGIARKRZVAMX-MSOLQXFVSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000655830408 452601931 /nfs/dbraw/zinc/60/19/31/452601931.db2.gz WQJFIXXTNXTQKN-ZBFHGGJFSA-N 1 3 343.475 1.964 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655914221 452672813 /nfs/dbraw/zinc/67/28/13/452672813.db2.gz DXCAXRPAONGBJI-CQSZACIVSA-N 1 3 346.397 1.958 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N(C)C1CC1 ZINC000663998029 452700244 /nfs/dbraw/zinc/70/02/44/452700244.db2.gz IFXFUAGLJLRWHU-ZBFHGGJFSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966484 452711313 /nfs/dbraw/zinc/71/13/13/452711313.db2.gz VRHXDLMBFORUJT-HXUWFJFHSA-N 1 3 348.535 1.721 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966484 452711320 /nfs/dbraw/zinc/71/13/20/452711320.db2.gz VRHXDLMBFORUJT-HXUWFJFHSA-N 1 3 348.535 1.721 20 0 EDADHO O=c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977038 452720909 /nfs/dbraw/zinc/72/09/09/452720909.db2.gz XJLOMECRZVKEGY-KBPBESRZSA-N 1 3 332.473 1.968 20 0 EDADHO O=c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975682 452721129 /nfs/dbraw/zinc/72/11/29/452721129.db2.gz DMXYYDJPJSUEHC-HOTGVXAUSA-N 1 3 326.444 1.906 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000652682116 452832056 /nfs/dbraw/zinc/83/20/56/452832056.db2.gz BQRXGTXPSRXVGU-HNNXBMFYSA-N 1 3 346.475 1.013 20 0 EDADHO CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCN(C)C1 ZINC000664174792 452844774 /nfs/dbraw/zinc/84/47/74/452844774.db2.gz VMGSGPBDMNAQCQ-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734942 452861738 /nfs/dbraw/zinc/86/17/38/452861738.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734942 452861749 /nfs/dbraw/zinc/86/17/49/452861749.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000654818584 452949471 /nfs/dbraw/zinc/94/94/71/452949471.db2.gz DOKSTZXDTKFIBD-MRXNPFEDSA-N 1 3 333.480 1.535 20 0 EDADHO CNC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722368 452952484 /nfs/dbraw/zinc/95/24/84/452952484.db2.gz QXZDJBAVGRRQDH-KSZLIROESA-N 1 3 331.460 1.907 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccon3)CC2)CC1 ZINC000654823630 452952768 /nfs/dbraw/zinc/95/27/68/452952768.db2.gz QYUPPEKOBHUNBV-UHFFFAOYSA-N 1 3 334.464 1.829 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000646012119 453008958 /nfs/dbraw/zinc/00/89/58/453008958.db2.gz GQRQBQPMKLTUAO-AWEZNQCLSA-N 1 3 334.468 1.115 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(CN)c1)CC(C)C ZINC000666617808 453013632 /nfs/dbraw/zinc/01/36/32/453013632.db2.gz FWUUXUAKBSRQGB-QGZVFWFLSA-N 1 3 348.491 1.957 20 0 EDADHO O=c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000662290024 453014811 /nfs/dbraw/zinc/01/48/11/453014811.db2.gz FOZPDHFVVZRFAF-INIZCTEOSA-N 1 3 326.444 1.906 20 0 EDADHO CCOCCCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291087 453014911 /nfs/dbraw/zinc/01/49/11/453014911.db2.gz OSCZRPFMQCHIMK-NVXWUHKLSA-N 1 3 325.497 1.629 20 0 EDADHO C[C@@H]1CCCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313605 453030724 /nfs/dbraw/zinc/03/07/24/453030724.db2.gz JJHPXZUOZMIKDY-BRSBDYLESA-N 1 3 337.508 1.996 20 0 EDADHO C[C@H](C(=O)N(C)C)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327518 453045307 /nfs/dbraw/zinc/04/53/07/453045307.db2.gz QJZKXKKECYGHKN-CYBMUJFWSA-N 1 3 333.480 1.533 20 0 EDADHO Cc1ncccc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337621 453056255 /nfs/dbraw/zinc/05/62/55/453056255.db2.gz MDROASKRDCEAFZ-QGZVFWFLSA-N 1 3 340.475 1.902 20 0 EDADHO CO[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)[C@H]1CCOC1 ZINC000660151905 453082184 /nfs/dbraw/zinc/08/21/84/453082184.db2.gz XOPICXMIDWGENP-PKOBYXMFSA-N 1 3 339.524 1.528 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160232 453091106 /nfs/dbraw/zinc/09/11/06/453091106.db2.gz VBAFQTLWNLCWTP-VNQPRFMTSA-N 1 3 337.414 1.868 20 0 EDADHO CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCN(C)C1 ZINC000664473500 453125049 /nfs/dbraw/zinc/12/50/49/453125049.db2.gz RZGPPGGJSNFVKH-ZACQAIPSSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655011660 453132596 /nfs/dbraw/zinc/13/25/96/453132596.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 1 3 345.487 1.424 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000655011660 453132601 /nfs/dbraw/zinc/13/26/01/453132601.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 1 3 345.487 1.424 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000650956056 453140731 /nfs/dbraw/zinc/14/07/31/453140731.db2.gz MJOQOGGLNZOFNJ-MRXNPFEDSA-N 1 3 330.542 1.701 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000650956056 453140736 /nfs/dbraw/zinc/14/07/36/453140736.db2.gz MJOQOGGLNZOFNJ-MRXNPFEDSA-N 1 3 330.542 1.701 20 0 EDADHO [NH3+]CCn1cc(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)nn1 ZINC000662525677 453244667 /nfs/dbraw/zinc/24/46/67/453244667.db2.gz KPLWKSLBRXNSKG-INIZCTEOSA-N 1 3 342.447 1.194 20 0 EDADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCCN3CCC(O)CC3)cc21 ZINC000662524820 453245736 /nfs/dbraw/zinc/24/57/36/453245736.db2.gz ALCHJXLHDGDSPA-KRWDZBQOSA-N 1 3 345.487 1.642 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666975412 453291594 /nfs/dbraw/zinc/29/15/94/453291594.db2.gz OMWNSPRODGJBKA-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112965 453299921 /nfs/dbraw/zinc/29/99/21/453299921.db2.gz OEYHSKOEYSKUCT-IAGOWNOFSA-N 1 3 331.460 1.774 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116724 453305153 /nfs/dbraw/zinc/30/51/53/453305153.db2.gz QDEGVEFLRAQJGS-OALUTQOASA-N 1 3 345.487 1.816 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000662630612 453347979 /nfs/dbraw/zinc/34/79/79/453347979.db2.gz GDWJFGAGMFCHKA-QGZVFWFLSA-N 1 3 334.508 1.712 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662638527 453353508 /nfs/dbraw/zinc/35/35/08/453353508.db2.gz SDMHJAGBFMZUIG-GOSISDBHSA-N 1 3 342.487 1.800 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000662660187 453373954 /nfs/dbraw/zinc/37/39/54/453373954.db2.gz ZNZIFRQPRUEGMO-RBUKOAKNSA-N 1 3 345.487 1.530 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000662660187 453373959 /nfs/dbraw/zinc/37/39/59/453373959.db2.gz ZNZIFRQPRUEGMO-RBUKOAKNSA-N 1 3 345.487 1.530 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000662700129 453420616 /nfs/dbraw/zinc/42/06/16/453420616.db2.gz MWZHEIOKERZGAZ-NJAFHUGGSA-N 1 3 330.476 1.879 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000667138256 453430067 /nfs/dbraw/zinc/43/00/67/453430067.db2.gz ZJNCWPRODMWHGE-HZPDHXFCSA-N 1 3 348.495 1.688 20 0 EDADHO C[N@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000660592682 453435404 /nfs/dbraw/zinc/43/54/04/453435404.db2.gz URWLBNAPCLKLGU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000660592682 453435413 /nfs/dbraw/zinc/43/54/13/453435413.db2.gz URWLBNAPCLKLGU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](N2CCCCC2)C1 ZINC000662718377 453441045 /nfs/dbraw/zinc/44/10/45/453441045.db2.gz NFLYOEDGKUHPRM-JKSUJKDBSA-N 1 3 346.479 1.293 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000653261427 453445303 /nfs/dbraw/zinc/44/53/03/453445303.db2.gz RJFNPDGGEVUSTI-SYQHCUMBSA-N 1 3 331.407 1.119 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000662727685 453454257 /nfs/dbraw/zinc/45/42/57/453454257.db2.gz AERALUACDWYEAB-GOSISDBHSA-N 1 3 332.492 1.932 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493565 /nfs/dbraw/zinc/49/35/65/453493565.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655864 453493573 /nfs/dbraw/zinc/49/35/73/453493573.db2.gz JHWPKTLDYWTTFL-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000662758657 453496387 /nfs/dbraw/zinc/49/63/87/453496387.db2.gz RJFQOAHFKKCNLI-QGZVFWFLSA-N 1 3 345.491 1.098 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662758256 453496452 /nfs/dbraw/zinc/49/64/52/453496452.db2.gz PLUDNGCUJPOSBI-IYARVYRRSA-N 1 3 330.476 1.178 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662788010 453522353 /nfs/dbraw/zinc/52/23/53/453522353.db2.gz FVTHEFGPYQPBPB-MOPGFXCFSA-N 1 3 345.487 1.517 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1CN(C)C ZINC000667266448 453526062 /nfs/dbraw/zinc/52/60/62/453526062.db2.gz YDDAFKMXTHTVIU-MRXNPFEDSA-N 1 3 332.448 1.253 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660701403 453526177 /nfs/dbraw/zinc/52/61/77/453526177.db2.gz SCRZDOFSSVJDKX-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662823794 453552042 /nfs/dbraw/zinc/55/20/42/453552042.db2.gz XDRVMHCOJPMASP-OAHLLOKOSA-N 1 3 334.468 1.007 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857594 453573888 /nfs/dbraw/zinc/57/38/88/453573888.db2.gz BLOJKULRGVREIH-SFHVURJKSA-N 1 3 331.460 1.259 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900698 453593984 /nfs/dbraw/zinc/59/39/84/453593984.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 1 3 344.503 1.487 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900698 453593988 /nfs/dbraw/zinc/59/39/88/453593988.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 1 3 344.503 1.487 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900698 453593989 /nfs/dbraw/zinc/59/39/89/453593989.db2.gz OIODDCLGYWOLHA-AZUAARDMSA-N 1 3 344.503 1.487 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901317 453596015 /nfs/dbraw/zinc/59/60/15/453596015.db2.gz VKHMYHAKDYELDF-RTBURBONSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901317 453596019 /nfs/dbraw/zinc/59/60/19/453596019.db2.gz VKHMYHAKDYELDF-RTBURBONSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662901317 453596024 /nfs/dbraw/zinc/59/60/24/453596024.db2.gz VKHMYHAKDYELDF-RTBURBONSA-N 1 3 344.503 1.622 20 0 EDADHO OCC1([C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2)CCOCC1 ZINC000665209448 453608913 /nfs/dbraw/zinc/60/89/13/453608913.db2.gz JFRBBKIKBHVSCL-MOPGFXCFSA-N 1 3 348.487 1.563 20 0 EDADHO C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660870813 453625425 /nfs/dbraw/zinc/62/54/25/453625425.db2.gz HQUFLDCXOVDRAU-GOEBONIOSA-N 1 3 340.512 1.515 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659095552 453628526 /nfs/dbraw/zinc/62/85/26/453628526.db2.gz DQRKUWWQTPOMBM-HNNXBMFYSA-N 1 3 332.448 1.334 20 0 EDADHO C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291403 453638022 /nfs/dbraw/zinc/63/80/22/453638022.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 1 3 341.459 1.784 20 0 EDADHO C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000665291403 453638025 /nfs/dbraw/zinc/63/80/25/453638025.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 1 3 341.459 1.784 20 0 EDADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000659293750 453705868 /nfs/dbraw/zinc/70/58/68/453705868.db2.gz HBJPABJAAGFZBL-IBGZPJMESA-N 1 3 343.471 1.792 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000663448547 453801307 /nfs/dbraw/zinc/80/13/07/453801307.db2.gz ZWNORNCKMHHQMX-ZWKOTPCHSA-N 1 3 332.492 1.943 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000663448547 453801309 /nfs/dbraw/zinc/80/13/09/453801309.db2.gz ZWNORNCKMHHQMX-ZWKOTPCHSA-N 1 3 332.492 1.943 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2nc3c(s2)CNCC3)C1 ZINC000663498442 453810534 /nfs/dbraw/zinc/81/05/34/453810534.db2.gz SRCRIYWVDFJTBD-YUELXQCFSA-N 1 3 336.505 1.650 20 0 EDADHO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)C1CCN(C)CC1 ZINC000679994266 486692119 /nfs/dbraw/zinc/69/21/19/486692119.db2.gz QCHZCHIXTMWMEX-HOCLYGCPSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1CN(C)C ZINC000415638587 486759213 /nfs/dbraw/zinc/75/92/13/486759213.db2.gz BOWHIIZNRSXFPS-HUUCEWRRSA-N 1 3 332.448 1.381 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415658653 486766131 /nfs/dbraw/zinc/76/61/31/486766131.db2.gz VQWSICZDLCWKBR-HUUCEWRRSA-N 1 3 332.448 1.115 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000667641625 486894044 /nfs/dbraw/zinc/89/40/44/486894044.db2.gz FKHUUUONALHLJW-UHFFFAOYSA-N 1 3 328.420 1.370 20 0 EDADHO CN(C)C(=O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678124126 487253100 /nfs/dbraw/zinc/25/31/00/487253100.db2.gz DPHGTMRHPNREKG-UHFFFAOYSA-N 1 3 333.476 1.927 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000669323278 485969607 /nfs/dbraw/zinc/96/96/07/485969607.db2.gz GXYVRZZTUANPQY-RYQLBKOJSA-N 1 3 346.475 1.581 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669426255 486147361 /nfs/dbraw/zinc/14/73/61/486147361.db2.gz PNBOMNUEMQJCFT-INIZCTEOSA-N 1 3 334.464 1.568 20 0 EDADHO CC[C@@H](CNC(=O)NCC[NH2+]C1CC1)N1CCc2ccccc2C1 ZINC000669292820 491187230 /nfs/dbraw/zinc/18/72/30/491187230.db2.gz AKRNYTDBYRMPPJ-SFHVURJKSA-N 1 3 330.476 1.875 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H]2CNCCO2)CC1 ZINC000164550038 534812526 /nfs/dbraw/zinc/81/25/26/534812526.db2.gz ZEIAEELDIZSLRV-SFHVURJKSA-N 1 3 331.460 1.454 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000119201267 536504916 /nfs/dbraw/zinc/50/49/16/536504916.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000119201267 536504921 /nfs/dbraw/zinc/50/49/21/536504921.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CCN(CCO)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000187117625 528537413 /nfs/dbraw/zinc/53/74/13/528537413.db2.gz DIEHYWAJQVTLKP-UHFFFAOYSA-N 1 3 348.491 1.396 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000262949345 535052041 /nfs/dbraw/zinc/05/20/41/535052041.db2.gz BMHQTHPKNYBGLW-SFHVURJKSA-N 1 3 346.475 1.363 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000262716374 535525045 /nfs/dbraw/zinc/52/50/45/535525045.db2.gz VOPZPFWFTDDLDS-GOSISDBHSA-N 1 3 333.480 1.309 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655136 535593023 /nfs/dbraw/zinc/59/30/23/535593023.db2.gz IVXZIBAANHAYOI-SFHVURJKSA-N 1 3 347.507 1.592 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655136 535593025 /nfs/dbraw/zinc/59/30/25/535593025.db2.gz IVXZIBAANHAYOI-SFHVURJKSA-N 1 3 347.507 1.592 20 0 EDADHO CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCN(CC)C[C@H]3C)C2)nc1 ZINC000346835153 535690393 /nfs/dbraw/zinc/69/03/93/535690393.db2.gz OMULUQVMBXHMEB-RHSMWYFYSA-N 1 3 346.475 1.767 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000348052727 535708142 /nfs/dbraw/zinc/70/81/42/535708142.db2.gz ZHZNGPANILJJKJ-HNNXBMFYSA-N 1 3 336.480 1.175 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339618913 535715635 /nfs/dbraw/zinc/71/56/35/535715635.db2.gz HOMOSGADIJQQME-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CC[C@H]3CC[NH2+]C3)ccc2oc1=O ZINC000261734050 535932549 /nfs/dbraw/zinc/93/25/49/535932549.db2.gz GAKCCTOSDRUQIE-ZDUSSCGKSA-N 1 3 346.431 1.484 20 0 EDADHO CN(C)CCn1cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cn1 ZINC000747555309 579648737 /nfs/dbraw/zinc/64/87/37/579648737.db2.gz IZOXNWDKLLAUJE-OAHLLOKOSA-N 1 3 338.500 1.933 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000750287174 579758407 /nfs/dbraw/zinc/75/84/07/579758407.db2.gz AFAXKMBLUSOBNT-HZPDHXFCSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)CN2CCCC2)C1 ZINC000750287174 579758408 /nfs/dbraw/zinc/75/84/08/579758408.db2.gz AFAXKMBLUSOBNT-HZPDHXFCSA-N 1 3 341.496 1.680 20 0 EDADHO COC1CCN(CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000751081179 579793721 /nfs/dbraw/zinc/79/37/21/579793721.db2.gz IUWKKNZNGOPKHB-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H](CO)C(C)C)cc2)CC1 ZINC000766891398 580176353 /nfs/dbraw/zinc/17/63/53/580176353.db2.gz UWPSXWKDVVJGPR-GOSISDBHSA-N 1 3 348.491 1.374 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](CO)C2CC2)CC1 ZINC000771813422 580295183 /nfs/dbraw/zinc/29/51/83/580295183.db2.gz OUSREANRXLOLIO-LJQANCHMSA-N 1 3 345.487 1.436 20 0 EDADHO Cn1c(Cl)cnc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000799336739 581025811 /nfs/dbraw/zinc/02/58/11/581025811.db2.gz NZXCYZVYRPNKRG-UHFFFAOYSA-N 1 3 348.882 1.770 20 0 EDADHO C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](c1ccccc1)N(C)C ZINC000891894103 590676828 /nfs/dbraw/zinc/67/68/28/590676828.db2.gz AULZULNMXMYFRD-NOCIGQNYSA-N 1 3 330.476 1.929 20 0 EDADHO CN(CC[N@H+](C)C1CC1)c1ccnc(N(C)CCN(C)C2CC2)n1 ZINC000893228351 590721846 /nfs/dbraw/zinc/72/18/46/590721846.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 1 3 332.496 1.537 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)c1ccnc(N(C)CCN(C)C2CC2)n1 ZINC000893228351 590721848 /nfs/dbraw/zinc/72/18/48/590721848.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 1 3 332.496 1.537 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)NCCNCCOC)CC1 ZINC000892051193 590772706 /nfs/dbraw/zinc/77/27/06/590772706.db2.gz OQZDOQPBIUMVSZ-UHFFFAOYSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348219 591053706 /nfs/dbraw/zinc/05/37/06/591053706.db2.gz CJGBZYQFNZQVMN-HOTGVXAUSA-N 1 3 338.496 1.319 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CCCCN2CCN(C)CC2)cc1C ZINC000892563815 591074486 /nfs/dbraw/zinc/07/44/86/591074486.db2.gz VVZXPZOXGHQHHP-UHFFFAOYSA-N 1 3 333.476 1.899 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891528761 591108506 /nfs/dbraw/zinc/10/85/06/591108506.db2.gz KQTHXTOTCCJZSR-CVEARBPZSA-N 1 3 338.496 1.412 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891529500 591109026 /nfs/dbraw/zinc/10/90/26/591109026.db2.gz QZMFMZNVVLFSKW-UHFFFAOYSA-N 1 3 340.512 1.837 20 0 EDADHO CN(C)C1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596966 591142327 /nfs/dbraw/zinc/14/23/27/591142327.db2.gz IJAFJEYXAJNLIW-XLIONFOSSA-N 1 3 342.487 1.669 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000891626677 591156014 /nfs/dbraw/zinc/15/60/14/591156014.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000891626677 591156018 /nfs/dbraw/zinc/15/60/18/591156018.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891634650 591160381 /nfs/dbraw/zinc/16/03/81/591160381.db2.gz PGEHYTNUUHBKOR-IRXDYDNUSA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000891639436 591163005 /nfs/dbraw/zinc/16/30/05/591163005.db2.gz RFTYRYRUJMLCBK-XJKSGUPXSA-N 1 3 328.526 1.501 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776068 591171452 /nfs/dbraw/zinc/17/14/52/591171452.db2.gz ABYKNRCUCXJKBS-INIZCTEOSA-N 1 3 338.496 1.128 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892800951 591185677 /nfs/dbraw/zinc/18/56/77/591185677.db2.gz RGPOYJIMDCZABT-KRWDZBQOSA-N 1 3 330.476 1.827 20 0 EDADHO Cn1ncc(I)c1CNCCCC[NH+](C)C ZINC000894209138 591230071 /nfs/dbraw/zinc/23/00/71/591230071.db2.gz OADYOQWXSNDZOA-UHFFFAOYSA-N 1 3 336.221 1.456 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000895665585 591246040 /nfs/dbraw/zinc/24/60/40/591246040.db2.gz DIWKWZQSNIXRMO-GVDBMIGSSA-N 1 3 339.528 1.137 20 0 EDADHO C[NH+]1CCC2(CCN2C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000895850697 591287263 /nfs/dbraw/zinc/28/72/63/591287263.db2.gz JXOUSVKZGZVAFE-MRXNPFEDSA-N 1 3 336.480 1.119 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc2[nH]c(=O)oc21 ZINC000894454545 591315018 /nfs/dbraw/zinc/31/50/18/591315018.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 1 3 332.448 1.991 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396867 /nfs/dbraw/zinc/39/68/67/591396867.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 1 3 334.508 1.987 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396869 /nfs/dbraw/zinc/39/68/69/591396869.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 1 3 334.508 1.987 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894764309 591413656 /nfs/dbraw/zinc/41/36/56/591413656.db2.gz GZNSQTJPCBUQAX-ILXRZTDVSA-N 1 3 347.450 1.389 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894764309 591413658 /nfs/dbraw/zinc/41/36/58/591413658.db2.gz GZNSQTJPCBUQAX-ILXRZTDVSA-N 1 3 347.450 1.389 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)CCO2 ZINC000897557976 591554082 /nfs/dbraw/zinc/55/40/82/591554082.db2.gz VEBVZBYKAVUAKG-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)CCO2 ZINC000897557976 591554085 /nfs/dbraw/zinc/55/40/85/591554085.db2.gz VEBVZBYKAVUAKG-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CCO[C@@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879953 591645392 /nfs/dbraw/zinc/64/53/92/591645392.db2.gz JIUFVJXFAMYXML-ZBFHGGJFSA-N 1 3 342.505 1.750 20 0 EDADHO CC(C)[NH+]1CCC(NCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000895207133 591657034 /nfs/dbraw/zinc/65/70/34/591657034.db2.gz IUKYAKOPIURXME-UHFFFAOYSA-N 1 3 327.469 1.431 20 0 EDADHO Cn1cc([C@]2(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052681 591755847 /nfs/dbraw/zinc/75/58/47/591755847.db2.gz KDUVTZBEGRCWMD-RBUKOAKNSA-N 1 3 348.491 1.659 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)Nc1cnn(C)c1 ZINC000899463426 591813231 /nfs/dbraw/zinc/81/32/31/591813231.db2.gz DZZHEEDVMRRYJP-OAHLLOKOSA-N 1 3 338.525 1.465 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)Nc1cnn(C)c1 ZINC000899463426 591813234 /nfs/dbraw/zinc/81/32/34/591813234.db2.gz DZZHEEDVMRRYJP-OAHLLOKOSA-N 1 3 338.525 1.465 20 0 EDADHO CCC[NH+]1CCC(NC(=O)CCCN2CCN(C(C)C)CC2)CC1 ZINC000899988803 591857268 /nfs/dbraw/zinc/85/72/68/591857268.db2.gz SXLGUWGBEAKOPJ-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899601360 591866531 /nfs/dbraw/zinc/86/65/31/591866531.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899601360 591866533 /nfs/dbraw/zinc/86/65/33/591866533.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 1 3 340.537 1.188 20 0 EDADHO CC[NH+](CC)CC1CCN(Cc2c(CO)[nH]cc(OC)c2=O)CC1 ZINC000902139974 591920570 /nfs/dbraw/zinc/92/05/70/591920570.db2.gz SXZWHTQKTIASQR-UHFFFAOYSA-N 1 3 337.464 1.430 20 0 EDADHO CN(CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000899737875 591926142 /nfs/dbraw/zinc/92/61/42/591926142.db2.gz RRLGGQZUZVLPJZ-UHFFFAOYSA-N 1 3 333.476 1.329 20 0 EDADHO COCC[N@H+](CC1CCN(C)CC1)Cn1cc(OC)c(=O)cc1C ZINC000902345811 591977881 /nfs/dbraw/zinc/97/78/81/591977881.db2.gz LVONRLNAYHFCSP-UHFFFAOYSA-N 1 3 337.464 1.413 20 0 EDADHO COCC[N@@H+](CC1CCN(C)CC1)Cn1cc(OC)c(=O)cc1C ZINC000902345811 591977884 /nfs/dbraw/zinc/97/78/84/591977884.db2.gz LVONRLNAYHFCSP-UHFFFAOYSA-N 1 3 337.464 1.413 20 0 EDADHO CNc1ccccc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000902595211 592016122 /nfs/dbraw/zinc/01/61/22/592016122.db2.gz GTXLXRPBVYUWDQ-UHFFFAOYSA-N 1 3 332.492 1.615 20 0 EDADHO CCCCc1noc([C@@H](C)ONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000902809603 592067675 /nfs/dbraw/zinc/06/76/75/592067675.db2.gz IRAMAWGITIIMLL-FRRDWIJNSA-N 1 3 337.424 1.835 20 0 EDADHO CCCCc1noc([C@@H](C)ONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000902809603 592067677 /nfs/dbraw/zinc/06/76/77/592067677.db2.gz IRAMAWGITIIMLL-FRRDWIJNSA-N 1 3 337.424 1.835 20 0 EDADHO Cc1ccccc1NC(=O)CONC(=N)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810959 592068292 /nfs/dbraw/zinc/06/82/92/592068292.db2.gz GBFKVFAWBDVHSR-DZGCQCFKSA-N 1 3 332.404 1.295 20 0 EDADHO Cc1ccccc1NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810959 592068295 /nfs/dbraw/zinc/06/82/95/592068295.db2.gz GBFKVFAWBDVHSR-DZGCQCFKSA-N 1 3 332.404 1.295 20 0 EDADHO Cc1ccccc1NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810959 592068297 /nfs/dbraw/zinc/06/82/97/592068297.db2.gz GBFKVFAWBDVHSR-DZGCQCFKSA-N 1 3 332.404 1.295 20 0 EDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)c1 ZINC000900651703 592081365 /nfs/dbraw/zinc/08/13/65/592081365.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)c1 ZINC000900651703 592081368 /nfs/dbraw/zinc/08/13/68/592081368.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 1 3 347.503 1.990 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200399 592134368 /nfs/dbraw/zinc/13/43/68/592134368.db2.gz RRODTWPPVCYLPG-QYZOEREBSA-N 1 3 332.444 1.291 20 0 EDADHO [NH3+]CC[C@@H]1CCCCN1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452719 592173707 /nfs/dbraw/zinc/17/37/07/592173707.db2.gz RNZCANWZDOSAAM-HNNXBMFYSA-N 1 3 345.443 1.503 20 0 EDADHO COCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cs1 ZINC000903508891 592189447 /nfs/dbraw/zinc/18/94/47/592189447.db2.gz YSCTYPDSWRLSFE-IYBDPMFKSA-N 1 3 336.505 1.690 20 0 EDADHO COCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cs1 ZINC000903508891 592189448 /nfs/dbraw/zinc/18/94/48/592189448.db2.gz YSCTYPDSWRLSFE-IYBDPMFKSA-N 1 3 336.505 1.690 20 0 EDADHO C[C@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511148 592191051 /nfs/dbraw/zinc/19/10/51/592191051.db2.gz QKTJDZZHZQYESE-RYQLBKOJSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511148 592191053 /nfs/dbraw/zinc/19/10/53/592191053.db2.gz QKTJDZZHZQYESE-RYQLBKOJSA-N 1 3 334.508 1.288 20 0 EDADHO CCCCCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511457 592191181 /nfs/dbraw/zinc/19/11/81/592191181.db2.gz ULFCRNYNUUFIRT-HDICACEKSA-N 1 3 336.524 1.584 20 0 EDADHO CCCCCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511457 592191183 /nfs/dbraw/zinc/19/11/83/592191183.db2.gz ULFCRNYNUUFIRT-HDICACEKSA-N 1 3 336.524 1.584 20 0 EDADHO COC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903506997 592198799 /nfs/dbraw/zinc/19/87/99/592198799.db2.gz ITNJHVQMANYRFI-KDURUIRLSA-N 1 3 343.471 1.874 20 0 EDADHO COC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903506997 592198800 /nfs/dbraw/zinc/19/88/00/592198800.db2.gz ITNJHVQMANYRFI-KDURUIRLSA-N 1 3 343.471 1.874 20 0 EDADHO COC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903506997 592198803 /nfs/dbraw/zinc/19/88/03/592198803.db2.gz ITNJHVQMANYRFI-KDURUIRLSA-N 1 3 343.471 1.874 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000903566771 592212872 /nfs/dbraw/zinc/21/28/72/592212872.db2.gz GECCHWHNYLAZOI-OAHLLOKOSA-N 1 3 325.478 1.559 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccccc1CN)CC(C)C ZINC000906646129 592232001 /nfs/dbraw/zinc/23/20/01/592232001.db2.gz YPJZDLCORXQBIM-INIZCTEOSA-N 1 3 348.491 1.957 20 0 EDADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336061 592233351 /nfs/dbraw/zinc/23/33/51/592233351.db2.gz MCFMRYBXIGPQPN-OKILXGFUSA-N 1 3 326.462 1.528 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000906651200 592234799 /nfs/dbraw/zinc/23/47/99/592234799.db2.gz RAYDMTYAXRQSSR-INIZCTEOSA-N 1 3 344.459 1.561 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000906654455 592237616 /nfs/dbraw/zinc/23/76/16/592237616.db2.gz VKEYQBDTBBUDFN-UHFFFAOYSA-N 1 3 346.475 1.856 20 0 EDADHO [NH3+]CCN1CCC(N[C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000904382003 592246891 /nfs/dbraw/zinc/24/68/91/592246891.db2.gz ZZRVQLIKRJARCS-MRXNPFEDSA-N 1 3 329.847 1.915 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@H](C)C1 ZINC000906665426 592247182 /nfs/dbraw/zinc/24/71/82/592247182.db2.gz VOKVEXVQSALHDS-CZUORRHYSA-N 1 3 332.448 1.273 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@H](C)C1 ZINC000906665426 592247188 /nfs/dbraw/zinc/24/71/88/592247188.db2.gz VOKVEXVQSALHDS-CZUORRHYSA-N 1 3 332.448 1.273 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000904470475 592267639 /nfs/dbraw/zinc/26/76/39/592267639.db2.gz XRJLPGDRDGNXJO-CQSZACIVSA-N 1 3 345.443 1.234 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473875 592268309 /nfs/dbraw/zinc/26/83/09/592268309.db2.gz UXIIVQVZCIEMBH-FGTMMUONSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473875 592268312 /nfs/dbraw/zinc/26/83/12/592268312.db2.gz UXIIVQVZCIEMBH-FGTMMUONSA-N 1 3 334.508 1.985 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000904511564 592274472 /nfs/dbraw/zinc/27/44/72/592274472.db2.gz SLTIIIRHHIFQFZ-IAGOWNOFSA-N 1 3 332.448 1.469 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904535363 592280969 /nfs/dbraw/zinc/28/09/69/592280969.db2.gz IQUJIDOVUYGVLI-KBXCAEBGSA-N 1 3 346.479 1.885 20 0 EDADHO O=C(NC1CCCCC1)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727672 592285949 /nfs/dbraw/zinc/28/59/49/592285949.db2.gz WWLUSLSMOOTQAC-ICSRJNTNSA-N 1 3 349.519 1.916 20 0 EDADHO c1ccc(CCN2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734048 592297610 /nfs/dbraw/zinc/29/76/10/592297610.db2.gz UDCPVGDNHOHVHQ-UXHICEINSA-N 1 3 329.488 1.615 20 0 EDADHO CC(=O)N(C[C@@H]1CCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755279 592313929 /nfs/dbraw/zinc/31/39/29/592313929.db2.gz DQNAWZJTAYHXOZ-ZWKOTPCHSA-N 1 3 335.492 1.620 20 0 EDADHO COCCOCCOCCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000903789665 592323479 /nfs/dbraw/zinc/32/34/79/592323479.db2.gz ZFBGRGLDJMBHHK-QGZVFWFLSA-N 1 3 328.497 1.768 20 0 EDADHO COc1ccc(CN(CCCO)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831355 592337222 /nfs/dbraw/zinc/33/72/22/592337222.db2.gz IRTAQTCNWYXJCC-OALUTQOASA-N 1 3 334.460 1.648 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922886 592378371 /nfs/dbraw/zinc/37/83/71/592378371.db2.gz GYEMXNNHVZSPKX-ZWKOTPCHSA-N 1 3 341.503 1.962 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNC[C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922886 592378376 /nfs/dbraw/zinc/37/83/76/592378376.db2.gz GYEMXNNHVZSPKX-ZWKOTPCHSA-N 1 3 341.503 1.962 20 0 EDADHO CN(C)Cc1cc(CNCc2cnnn2[C@H]2CCC[NH2+]C2)ccc1F ZINC000903925977 592379978 /nfs/dbraw/zinc/37/99/78/592379978.db2.gz QJBCPXOUNVYMRX-INIZCTEOSA-N 1 3 346.454 1.693 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000903933266 592385384 /nfs/dbraw/zinc/38/53/84/592385384.db2.gz NMZQMZBKPOKSDU-WMZOPIPTSA-N 1 3 342.447 1.476 20 0 EDADHO COc1cccc2c1OC[C@@H](NC[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938120 592389574 /nfs/dbraw/zinc/38/95/74/592389574.db2.gz ZZAFQMSEXKKNPL-YOEHRIQHSA-N 1 3 344.459 1.448 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905088714 592393133 /nfs/dbraw/zinc/39/31/33/592393133.db2.gz JTQVAGHZVCAKHS-QGZVFWFLSA-N 1 3 328.497 1.523 20 0 EDADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955624 592396118 /nfs/dbraw/zinc/39/61/18/592396118.db2.gz XSPQKKGTUSJDQD-GXTWGEPZSA-N 1 3 342.386 1.961 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cccc3c1OCCCO3)C2 ZINC000903978274 592399430 /nfs/dbraw/zinc/39/94/30/592399430.db2.gz CYDKUAXQWKFUKQ-KHYOSLBOSA-N 1 3 346.427 1.560 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968350 592403069 /nfs/dbraw/zinc/40/30/69/592403069.db2.gz UDZPPTPAQVJTSL-NFAWXSAZSA-N 1 3 333.432 1.635 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905122150 592416770 /nfs/dbraw/zinc/41/67/70/592416770.db2.gz LJBAODLPHWPIJY-AHRSYUTCSA-N 1 3 348.487 1.704 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3C[NH2+]CC3(C)C)n2)ccn1 ZINC000904098271 592424861 /nfs/dbraw/zinc/42/48/61/592424861.db2.gz RQXUCJOEQSYFJQ-ZDUSSCGKSA-N 1 3 331.420 1.785 20 0 EDADHO COCCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CCN(C)CC1 ZINC000908293892 592434989 /nfs/dbraw/zinc/43/49/89/592434989.db2.gz KHSBKSGZHRQRMR-FUHWJXTLSA-N 1 3 337.508 1.963 20 0 EDADHO COCCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CCN(C)CC1 ZINC000908293892 592434991 /nfs/dbraw/zinc/43/49/91/592434991.db2.gz KHSBKSGZHRQRMR-FUHWJXTLSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344773 592500731 /nfs/dbraw/zinc/50/07/31/592500731.db2.gz YTFWULMWLHTNIM-QLFBSQMISA-N 1 3 331.526 1.272 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905399971 592521045 /nfs/dbraw/zinc/52/10/45/592521045.db2.gz ORJLWJOZWBALRK-GSEOLPGOSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905399971 592521048 /nfs/dbraw/zinc/52/10/48/592521048.db2.gz ORJLWJOZWBALRK-GSEOLPGOSA-N 1 3 348.487 1.247 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[C@]1(O)CCOC1 ZINC000905399971 592521050 /nfs/dbraw/zinc/52/10/50/592521050.db2.gz ORJLWJOZWBALRK-GSEOLPGOSA-N 1 3 348.487 1.247 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905686494 592612974 /nfs/dbraw/zinc/61/29/74/592612974.db2.gz FADNGEURSLXWNC-RBSFLKMASA-N 1 3 327.469 1.336 20 0 EDADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905911724 592691921 /nfs/dbraw/zinc/69/19/21/592691921.db2.gz ZGVQLTKFBSYILW-PMACEKPBSA-N 1 3 348.487 1.186 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569917 592714473 /nfs/dbraw/zinc/71/44/73/592714473.db2.gz GKTRXXWADVTTSH-QGZVFWFLSA-N 1 3 328.460 1.458 20 0 EDADHO Cc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c(CN(C)C)c1 ZINC000906223172 592761553 /nfs/dbraw/zinc/76/15/53/592761553.db2.gz RXURALUOZBOWGL-UHFFFAOYSA-N 1 3 341.459 1.971 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccccc2CN)([NH+](C)C)C1 ZINC000906645911 592865625 /nfs/dbraw/zinc/86/56/25/592865625.db2.gz NBBXZAZANVLKBC-KUHUBIRLSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645829 592865852 /nfs/dbraw/zinc/86/58/52/592865852.db2.gz LMDJSKASMXASOD-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO CCO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000911632387 592970014 /nfs/dbraw/zinc/97/00/14/592970014.db2.gz GCHFPDYRGZLORJ-KSZLIROESA-N 1 3 333.476 1.953 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)c1 ZINC000911692713 592983140 /nfs/dbraw/zinc/98/31/40/592983140.db2.gz UUHWTSCKHFTYKA-MRXNPFEDSA-N 1 3 338.411 1.870 20 0 EDADHO C[C@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000911827002 593017860 /nfs/dbraw/zinc/01/78/60/593017860.db2.gz VLXOTSCJGIETAR-ISOBSLSZSA-N 1 3 329.366 1.560 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000911838085 593020498 /nfs/dbraw/zinc/02/04/98/593020498.db2.gz YVVFHVNNLRVLFV-AEFFLSMTSA-N 1 3 333.476 1.803 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000812900450 593512293 /nfs/dbraw/zinc/51/22/93/593512293.db2.gz IWORPRAMZCELNZ-YJBOKZPZSA-N 1 3 346.475 1.714 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817888467 593645081 /nfs/dbraw/zinc/64/50/81/593645081.db2.gz GHGKDIMFHYSPNT-JQWIXIFHSA-N 1 3 343.415 1.136 20 0 EDADHO C[NH+](C)C1CCN(CCNC[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819134776 593740759 /nfs/dbraw/zinc/74/07/59/593740759.db2.gz MZGWUNARLAWRSN-KRWDZBQOSA-N 1 3 327.419 1.614 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)c1ccco1 ZINC000820074122 593788652 /nfs/dbraw/zinc/78/86/52/593788652.db2.gz GNOZRMMHYFDZGB-YOEHRIQHSA-N 1 3 340.468 1.058 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@](C)(O)c1ccco1 ZINC000820074122 593788653 /nfs/dbraw/zinc/78/86/53/593788653.db2.gz GNOZRMMHYFDZGB-YOEHRIQHSA-N 1 3 340.468 1.058 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@@H]([NH3+])C3CC3)ccc2oc1=O ZINC000827906375 594301468 /nfs/dbraw/zinc/30/14/68/594301468.db2.gz LQDDWOFXMWHURU-CYBMUJFWSA-N 1 3 332.404 1.222 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139306 594350135 /nfs/dbraw/zinc/35/01/35/594350135.db2.gz PNSBOJZKRDAEGA-DOTOQJQBSA-N 1 3 344.459 1.450 20 0 EDADHO [NH3+][C@@H](CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000828757382 594496368 /nfs/dbraw/zinc/49/63/68/594496368.db2.gz XPLDDAOIPLKQTQ-SFHVURJKSA-N 1 3 331.460 1.387 20 0 EDADHO C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@@H](N3CCC3)C2)cc1 ZINC000826950679 594608637 /nfs/dbraw/zinc/60/86/37/594608637.db2.gz UTQNVARUSVNWHB-GOSISDBHSA-N 1 3 345.487 1.866 20 0 EDADHO CCO[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)CN(C)C ZINC000831730455 594697090 /nfs/dbraw/zinc/69/70/90/594697090.db2.gz CQDDWYHDUVSIDZ-SFHVURJKSA-N 1 3 333.476 1.518 20 0 EDADHO CCO[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)CN(C)C ZINC000831730455 594697091 /nfs/dbraw/zinc/69/70/91/594697091.db2.gz CQDDWYHDUVSIDZ-SFHVURJKSA-N 1 3 333.476 1.518 20 0 EDADHO Cc1cc([C@H](N)CC(=O)NCCOCC[NH+](C)C)cc(Cl)n1 ZINC000831998674 594717894 /nfs/dbraw/zinc/71/78/94/594717894.db2.gz PFZILGKOCQHVDZ-CYBMUJFWSA-N 1 3 328.844 1.128 20 0 EDADHO COC(=O)CCn1nc(C)c(CNCc2ccc(CC[NH3+])cc2)c1C ZINC000841032152 594842034 /nfs/dbraw/zinc/84/20/34/594842034.db2.gz NAZDDTDYKSFFRR-UHFFFAOYSA-N 1 3 344.459 1.854 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385525 594891018 /nfs/dbraw/zinc/89/10/18/594891018.db2.gz CZQNWIXCOJUJBX-KZNAEPCWSA-N 1 3 331.460 1.659 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc(Cl)n1 ZINC000841852100 594965665 /nfs/dbraw/zinc/96/56/65/594965665.db2.gz DBHRDDVXTPELRA-QWRGUYRKSA-N 1 3 332.782 1.547 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175142 595292459 /nfs/dbraw/zinc/29/24/59/595292459.db2.gz BEAGJSVOEBBUBK-BPQIPLTHSA-N 1 3 331.460 1.707 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708893 595305147 /nfs/dbraw/zinc/30/51/47/595305147.db2.gz XLGUHUMVWXOFIU-JKSUJKDBSA-N 1 3 346.475 1.663 20 0 EDADHO CCN1C[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)OC1=O ZINC000846808960 595319429 /nfs/dbraw/zinc/31/94/29/595319429.db2.gz WEWWKKMXEPPXJR-MRXNPFEDSA-N 1 3 325.453 1.404 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H](N)CC[NH+](C)C)n2)ccn1 ZINC000844912196 595412758 /nfs/dbraw/zinc/41/27/58/595412758.db2.gz DZDLGDXNICNCES-CYBMUJFWSA-N 1 3 334.424 1.024 20 0 EDADHO [NH2+]=C(NCCCN1CCN(c2ccncc2)CC1)N1CCCCC1 ZINC000849073257 595478179 /nfs/dbraw/zinc/47/81/79/595478179.db2.gz ACMWDIQTUPBLAO-UHFFFAOYSA-N 1 3 330.480 1.604 20 0 EDADHO CN1CC[C@](O)(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849085543 595479845 /nfs/dbraw/zinc/47/98/45/595479845.db2.gz SDCARNXRZVSMPW-AWEZNQCLSA-N 1 3 346.353 1.266 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCc2ccc(CN3CCN(C)CC3)cc2)CCO1 ZINC000849094701 595480652 /nfs/dbraw/zinc/48/06/52/595480652.db2.gz QGVZYHXLAOBWJN-MRXNPFEDSA-N 1 3 345.491 1.179 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(C)(=O)=O)c1 ZINC000849115086 595484157 /nfs/dbraw/zinc/48/41/57/595484157.db2.gz DXHGCAKDABOZPA-CQSZACIVSA-N 1 3 338.477 1.188 20 0 EDADHO COCCS(=O)(=O)CCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753549 595526913 /nfs/dbraw/zinc/52/69/13/595526913.db2.gz DMIMLBWTFMTESI-INIZCTEOSA-N 1 3 332.510 1.149 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482433 595547239 /nfs/dbraw/zinc/54/72/39/595547239.db2.gz BHEBAYOWHIDBLD-CVEARBPZSA-N 1 3 335.496 1.159 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501801 595552821 /nfs/dbraw/zinc/55/28/21/595552821.db2.gz AUOGJSBCWSJNQX-BPQIPLTHSA-N 1 3 347.507 1.304 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103674 595665602 /nfs/dbraw/zinc/66/56/02/595665602.db2.gz CRPXVESMIRMXDR-MJGOQNOKSA-N 1 3 327.428 1.471 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103674 595665604 /nfs/dbraw/zinc/66/56/04/595665604.db2.gz CRPXVESMIRMXDR-MJGOQNOKSA-N 1 3 327.428 1.471 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@H](O)c3ccccn3)CC2)CC1 ZINC000852184443 596075092 /nfs/dbraw/zinc/07/50/92/596075092.db2.gz LDUSDSGXUINTCV-IBGZPJMESA-N 1 3 332.492 1.607 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@H](O)c3ccccn3)CC2)CC1 ZINC000852184443 596075097 /nfs/dbraw/zinc/07/50/97/596075097.db2.gz LDUSDSGXUINTCV-IBGZPJMESA-N 1 3 332.492 1.607 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C[C@H](O)c3ccccn3)CC2)CC1 ZINC000852184443 596075101 /nfs/dbraw/zinc/07/51/01/596075101.db2.gz LDUSDSGXUINTCV-IBGZPJMESA-N 1 3 332.492 1.607 20 0 EDADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863551170 596615597 /nfs/dbraw/zinc/61/55/97/596615597.db2.gz ISMIFAUSNLQHPS-CVEARBPZSA-N 1 3 341.496 1.822 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650862 596644507 /nfs/dbraw/zinc/64/45/07/596644507.db2.gz DFWRMDAGWRCGTF-XGXHKWSGSA-N 1 3 327.472 1.919 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650862 596644508 /nfs/dbraw/zinc/64/45/08/596644508.db2.gz DFWRMDAGWRCGTF-XGXHKWSGSA-N 1 3 327.472 1.919 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868224186 596733955 /nfs/dbraw/zinc/73/39/55/596733955.db2.gz CZCRQCSKDXAEAO-XOKHGSTOSA-N 1 3 344.459 1.288 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Br)no1 ZINC000866019564 596760482 /nfs/dbraw/zinc/76/04/82/596760482.db2.gz VYAJQIJGSCBQOS-JTQLQIEISA-N 1 3 347.257 1.439 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Br)no1 ZINC000866019564 596760483 /nfs/dbraw/zinc/76/04/83/596760483.db2.gz VYAJQIJGSCBQOS-JTQLQIEISA-N 1 3 347.257 1.439 20 0 EDADHO Cc1ccc(CN2CCO[C@@H](C[NH2+]C[C@@H](O)CN3CCCC3)C2)cc1 ZINC000872236199 596847742 /nfs/dbraw/zinc/84/77/42/596847742.db2.gz OOIJVNJZCOITPD-UXHICEINSA-N 1 3 347.503 1.242 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](N)c1ccccc1 ZINC000876523856 597230289 /nfs/dbraw/zinc/23/02/89/597230289.db2.gz GLTSKECSZCFXAD-HOTGVXAUSA-N 1 3 327.432 1.546 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@H](C)C1 ZINC000873218433 597231387 /nfs/dbraw/zinc/23/13/87/597231387.db2.gz GPQMBFADXJLTDY-RDTXWAMCSA-N 1 3 328.464 1.546 20 0 EDADHO [NH3+]C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1(F)F ZINC000876725110 597306631 /nfs/dbraw/zinc/30/66/31/597306631.db2.gz FGYJXUYXSVLMSS-HUUCEWRRSA-N 1 3 339.386 1.422 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000876781428 597338456 /nfs/dbraw/zinc/33/84/56/597338456.db2.gz LIBKFYMTCHNTDM-SQWLQELKSA-N 1 3 331.464 1.471 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CNC2 ZINC000877132520 597439719 /nfs/dbraw/zinc/43/97/19/597439719.db2.gz GGSYQUFDMYLOIG-UHFFFAOYSA-N 1 3 331.460 1.720 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257932 597482050 /nfs/dbraw/zinc/48/20/50/597482050.db2.gz UOPOIUKJFPZKFM-YLJYHZDGSA-N 1 3 346.519 1.669 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cc(C2CC[NH2+]CC2)no1 ZINC000877341191 597495763 /nfs/dbraw/zinc/49/57/63/597495763.db2.gz VIUAHYRYPVVPLT-MRXNPFEDSA-N 1 3 340.427 1.586 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000878370638 597598101 /nfs/dbraw/zinc/59/81/01/597598101.db2.gz ZEEBWZFIXJBGPD-LPHOPBHVSA-N 1 3 345.487 1.954 20 0 EDADHO O=c1oc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2o1 ZINC000883049468 597631725 /nfs/dbraw/zinc/63/17/25/597631725.db2.gz NIJXHPGAGZEETN-GJZGRUSLSA-N 1 3 332.400 1.853 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510048 597782111 /nfs/dbraw/zinc/78/21/11/597782111.db2.gz HCJFREWMSSPCGG-IIDMSEBBSA-N 1 3 343.475 1.784 20 0 EDADHO COCCN(Cc1cc(-c2cnn(C)c2)no1)CC1CC[NH+](C)CC1 ZINC000879125730 597827661 /nfs/dbraw/zinc/82/76/61/597827661.db2.gz HFYYZCBOWIRYRH-UHFFFAOYSA-N 1 3 347.463 1.865 20 0 EDADHO O[C@@]1(CN2CCC3(CC2)COCCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000880548800 597961108 /nfs/dbraw/zinc/96/11/08/597961108.db2.gz CYDGXOVQLPWTES-LJQANCHMSA-N 1 3 346.471 1.505 20 0 EDADHO O[C@@]1(CN2CCC3(CC2)COCCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000880548800 597961109 /nfs/dbraw/zinc/96/11/09/597961109.db2.gz CYDGXOVQLPWTES-LJQANCHMSA-N 1 3 346.471 1.505 20 0 EDADHO C[NH2+]CCOc1ccccc1C(=O)NC1CCN(CCOC)CC1 ZINC000884198969 598025318 /nfs/dbraw/zinc/02/53/18/598025318.db2.gz LXQMAYSIUZCYHM-UHFFFAOYSA-N 1 3 335.448 1.125 20 0 EDADHO O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856891 700005875 /nfs/dbraw/zinc/00/58/75/700005875.db2.gz LLALHKJWVUZJQD-KGXSXCIVSA-N 1 3 347.503 1.478 20 0 EDADHO CCN1CCN(c2ccc(NC(=S)NCC[NH+](C)C)cc2)CC1 ZINC000916547727 696676432 /nfs/dbraw/zinc/67/64/32/696676432.db2.gz GGVSWXJTJQVPOU-UHFFFAOYSA-N 1 3 335.521 1.677 20 0 EDADHO COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000940007991 700109475 /nfs/dbraw/zinc/10/94/75/700109475.db2.gz CSELWKZVSBWVDR-OAHLLOKOSA-N 1 3 347.463 1.050 20 0 EDADHO Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940007996 700109568 /nfs/dbraw/zinc/10/95/68/700109568.db2.gz CVNDMYQVBLSBFW-ZDUSSCGKSA-N 1 3 337.493 1.411 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672793 697480875 /nfs/dbraw/zinc/48/08/75/697480875.db2.gz OZXTUAMCJVQUJQ-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672793 697480878 /nfs/dbraw/zinc/48/08/78/697480878.db2.gz OZXTUAMCJVQUJQ-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(NCC1CN(C[C@@H]2CCCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118723 698986484 /nfs/dbraw/zinc/98/64/84/698986484.db2.gz QTLNCLNZCFBGAS-IBGZPJMESA-N 1 3 349.519 1.726 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053555 699113738 /nfs/dbraw/zinc/11/37/38/699113738.db2.gz APPCBNLBFMFTMV-DOMZBBRYSA-N 1 3 336.505 1.730 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941554006 701578753 /nfs/dbraw/zinc/57/87/53/701578753.db2.gz VOPWJZKPAJXVTJ-SJLPKXTDSA-N 1 3 338.540 1.447 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567371 701579756 /nfs/dbraw/zinc/57/97/56/701579756.db2.gz SEALGGKYIHTLFN-DLBZAZTESA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567371 701579757 /nfs/dbraw/zinc/57/97/57/701579757.db2.gz SEALGGKYIHTLFN-DLBZAZTESA-N 1 3 336.524 1.203 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941566314 701585217 /nfs/dbraw/zinc/58/52/17/701585217.db2.gz BFVYSJRSACJCCT-KRWDZBQOSA-N 1 3 348.535 1.347 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397126 699546965 /nfs/dbraw/zinc/54/69/65/699546965.db2.gz LMWHFVMXLLQAFY-NVXWUHKLSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1cncc(F)c1 ZINC000939543392 699684426 /nfs/dbraw/zinc/68/44/26/699684426.db2.gz CKCICVMNRPOGOZ-CJNGLKHVSA-N 1 3 332.423 1.253 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544268 699685542 /nfs/dbraw/zinc/68/55/42/699685542.db2.gz IVOVKESQVQJSDB-JSGCOSHPSA-N 1 3 334.489 1.484 20 0 EDADHO COc1cccc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939546752 699688774 /nfs/dbraw/zinc/68/87/74/699688774.db2.gz SVVQATJOOCJHIA-HOCLYGCPSA-N 1 3 344.459 1.123 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941676632 701615562 /nfs/dbraw/zinc/61/55/62/701615562.db2.gz BTMHTNISVPASRY-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000940295876 700467346 /nfs/dbraw/zinc/46/73/46/700467346.db2.gz COMKFDHGVPJOIG-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)n2)CC1)N(C)C ZINC000940337323 700495032 /nfs/dbraw/zinc/49/50/32/700495032.db2.gz GINSXAXZXBUQJO-HNNXBMFYSA-N 1 3 349.479 1.296 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000940328351 700506251 /nfs/dbraw/zinc/50/62/51/700506251.db2.gz HMXHQXWRVWATJB-OAHLLOKOSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000940328351 700506253 /nfs/dbraw/zinc/50/62/53/700506253.db2.gz HMXHQXWRVWATJB-OAHLLOKOSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329867 700509507 /nfs/dbraw/zinc/50/95/07/700509507.db2.gz YYKAPXVPWKFPHQ-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940426307 700620082 /nfs/dbraw/zinc/62/00/82/700620082.db2.gz PCSNQQIMSYIKED-INIZCTEOSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940426307 700620083 /nfs/dbraw/zinc/62/00/83/700620083.db2.gz PCSNQQIMSYIKED-INIZCTEOSA-N 1 3 347.507 1.541 20 0 EDADHO COc1cc(CNC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000940427868 700621881 /nfs/dbraw/zinc/62/18/81/700621881.db2.gz PTIKVYQUJWOVBF-UHFFFAOYSA-N 1 3 348.447 1.250 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457483 700661194 /nfs/dbraw/zinc/66/11/94/700661194.db2.gz HTAOWHYHBRWFSP-OAHLLOKOSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457483 700661195 /nfs/dbraw/zinc/66/11/95/700661195.db2.gz HTAOWHYHBRWFSP-OAHLLOKOSA-N 1 3 333.480 1.325 20 0 EDADHO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940461508 700664591 /nfs/dbraw/zinc/66/45/91/700664591.db2.gz FIWLRJRXHADVKY-UHFFFAOYSA-N 1 3 330.476 1.957 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975839 /nfs/dbraw/zinc/97/58/39/700975839.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 1 3 335.492 1.476 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975840 /nfs/dbraw/zinc/97/58/40/700975840.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 1 3 335.492 1.476 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921937 701071490 /nfs/dbraw/zinc/07/14/90/701071490.db2.gz OAQTTWSNKIZVNH-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921937 701071493 /nfs/dbraw/zinc/07/14/93/701071493.db2.gz OAQTTWSNKIZVNH-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3n[nH]c(C)n3)C(C)(C)C2)CC[N@@H+]1C ZINC000995839172 702118287 /nfs/dbraw/zinc/11/82/87/702118287.db2.gz KFBAVBNPLAHOSR-RRFJBIMHSA-N 1 3 348.495 1.170 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3n[nH]c(C)n3)C(C)(C)C2)CC[N@H+]1C ZINC000995839172 702118289 /nfs/dbraw/zinc/11/82/89/702118289.db2.gz KFBAVBNPLAHOSR-RRFJBIMHSA-N 1 3 348.495 1.170 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052854 702484001 /nfs/dbraw/zinc/48/40/01/702484001.db2.gz HLKXSPBSICJDSX-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000942052854 702484004 /nfs/dbraw/zinc/48/40/04/702484004.db2.gz HLKXSPBSICJDSX-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCC[C@H]2CCOC2)CC1 ZINC001032665897 706679153 /nfs/dbraw/zinc/67/91/53/706679153.db2.gz LINBKCVBKLBWEL-FHWLQOOXSA-N 1 3 349.519 1.820 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134969 702564553 /nfs/dbraw/zinc/56/45/53/702564553.db2.gz MCASCQQWLUVBJI-INIZCTEOSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996221950 702632453 /nfs/dbraw/zinc/63/24/53/702632453.db2.gz LJEHZTQDCNDIEI-QGZVFWFLSA-N 1 3 345.491 1.453 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@H](NCc3cncc(F)c3)C(C)(C)C2)CC1 ZINC000996251616 702653426 /nfs/dbraw/zinc/65/34/26/702653426.db2.gz ZBTWGDPCDQWRQQ-KRWDZBQOSA-N 1 3 348.466 1.889 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300279 702691954 /nfs/dbraw/zinc/69/19/54/702691954.db2.gz LEWSBTGWKJQOPQ-GDBMZVCRSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463488 702790817 /nfs/dbraw/zinc/79/08/17/702790817.db2.gz HAOWAAXAAMWYFG-INIZCTEOSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996463488 702790820 /nfs/dbraw/zinc/79/08/20/702790820.db2.gz HAOWAAXAAMWYFG-INIZCTEOSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n[nH]1 ZINC000996518238 702853636 /nfs/dbraw/zinc/85/36/36/702853636.db2.gz CXIXJSOGSOZSDK-TZMCWYRMSA-N 1 3 346.479 1.097 20 0 EDADHO Cc1cncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619055 702925515 /nfs/dbraw/zinc/92/55/15/702925515.db2.gz YIHCUHWVZBCKAJ-SJORKVTESA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619055 702925516 /nfs/dbraw/zinc/92/55/16/702925516.db2.gz YIHCUHWVZBCKAJ-SJORKVTESA-N 1 3 330.476 1.668 20 0 EDADHO C[C@@H]([NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C)C(N)=O ZINC000996663530 702961250 /nfs/dbraw/zinc/96/12/50/702961250.db2.gz OZWPBYUSZIHMPD-CJNGLKHVSA-N 1 3 346.475 1.062 20 0 EDADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)CCO1 ZINC000996667019 702963896 /nfs/dbraw/zinc/96/38/96/702963896.db2.gz VTEYSVOBPSGVJU-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996666208 702968471 /nfs/dbraw/zinc/96/84/71/702968471.db2.gz PHNFJSWCXZCKJL-INIZCTEOSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996666208 702968472 /nfs/dbraw/zinc/96/84/72/702968472.db2.gz PHNFJSWCXZCKJL-INIZCTEOSA-N 1 3 347.507 1.479 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669522 702971120 /nfs/dbraw/zinc/97/11/20/702971120.db2.gz GPIVLIUXCZONJY-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)o1 ZINC000996681215 702979670 /nfs/dbraw/zinc/97/96/70/702979670.db2.gz XZUZDLFJTLYMNN-QGZVFWFLSA-N 1 3 334.464 1.712 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026324 703052632 /nfs/dbraw/zinc/05/26/32/703052632.db2.gz CDVXYIHQDRPDTJ-SJLPKXTDSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)NCC2CN(CC3=CCCCC3)C2)cn1 ZINC001032044137 703235208 /nfs/dbraw/zinc/23/52/08/703235208.db2.gz QPTJQVGFLTYSQA-UHFFFAOYSA-N 1 3 345.491 1.607 20 0 EDADHO Cc1ncccc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997008607 703266903 /nfs/dbraw/zinc/26/69/03/703266903.db2.gz VSYYKARYHVFHIL-OAHLLOKOSA-N 1 3 330.476 1.812 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001032053281 703403915 /nfs/dbraw/zinc/40/39/15/703403915.db2.gz YCNHZQHFEPAKOP-SFHVURJKSA-N 1 3 333.476 1.835 20 0 EDADHO COc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997607644 703904486 /nfs/dbraw/zinc/90/44/86/703904486.db2.gz PCEUMEKQANBFBJ-QGZVFWFLSA-N 1 3 346.475 1.513 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922547408 703953448 /nfs/dbraw/zinc/95/34/48/703953448.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922547408 703953453 /nfs/dbraw/zinc/95/34/53/703953453.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033100465 704217799 /nfs/dbraw/zinc/21/77/99/704217799.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 1 3 337.508 1.819 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033100465 704217801 /nfs/dbraw/zinc/21/78/01/704217801.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 1 3 337.508 1.819 20 0 EDADHO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001067635978 704395083 /nfs/dbraw/zinc/39/50/83/704395083.db2.gz DZBSEJPGHXDLKB-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001067635978 704395084 /nfs/dbraw/zinc/39/50/84/704395084.db2.gz DZBSEJPGHXDLKB-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000922878605 704444468 /nfs/dbraw/zinc/44/44/68/704444468.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 1 3 331.464 1.466 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000922878605 704444469 /nfs/dbraw/zinc/44/44/69/704444469.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 1 3 331.464 1.466 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997792545 704701221 /nfs/dbraw/zinc/70/12/21/704701221.db2.gz IBBCWGQFOWGSEI-NVXWUHKLSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997792545 704701223 /nfs/dbraw/zinc/70/12/23/704701223.db2.gz IBBCWGQFOWGSEI-NVXWUHKLSA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)O1 ZINC000997830304 704748933 /nfs/dbraw/zinc/74/89/33/704748933.db2.gz HNLNCVYCFFLPIO-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997863595 704770598 /nfs/dbraw/zinc/77/05/98/704770598.db2.gz BDAMPRKBRCGLIP-QGZVFWFLSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)nn1C ZINC000997865368 704772387 /nfs/dbraw/zinc/77/23/87/704772387.db2.gz NKKFYZLEBQZDPR-SFHVURJKSA-N 1 3 347.507 1.541 20 0 EDADHO CO[C@@H](CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105786 /nfs/dbraw/zinc/10/57/86/705105786.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 1 3 349.519 1.817 20 0 EDADHO CO[C@@H](CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105790 /nfs/dbraw/zinc/10/57/90/705105790.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 1 3 349.519 1.817 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)N(C)C ZINC000998046543 705242864 /nfs/dbraw/zinc/24/28/64/705242864.db2.gz JPXHQZKSTGQJIQ-MAUKXSAKSA-N 1 3 347.507 1.952 20 0 EDADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998082565 705310374 /nfs/dbraw/zinc/31/03/74/705310374.db2.gz QTAYZHOUSDITIQ-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000998780552 706221378 /nfs/dbraw/zinc/22/13/78/706221378.db2.gz PDCHFWQZMLTHKM-VJFUWPCTSA-N 1 3 343.475 1.206 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998987269 706419026 /nfs/dbraw/zinc/41/90/26/706419026.db2.gz KSRWLWCEADOXFO-UHFFFAOYSA-N 1 3 346.475 1.938 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946518118 706574996 /nfs/dbraw/zinc/57/49/96/706574996.db2.gz OELPMVWZHZIWKG-AKHDSKFASA-N 1 3 349.519 1.678 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946518118 706574997 /nfs/dbraw/zinc/57/49/97/706574997.db2.gz OELPMVWZHZIWKG-AKHDSKFASA-N 1 3 349.519 1.678 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cn1 ZINC000999348816 706861100 /nfs/dbraw/zinc/86/11/00/706861100.db2.gz QODMSIDLAXIXBK-INIZCTEOSA-N 1 3 331.464 1.350 20 0 EDADHO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cn1 ZINC000999366021 706879989 /nfs/dbraw/zinc/87/99/89/706879989.db2.gz SQQDYWSVDPEAHG-INIZCTEOSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999409760 706919804 /nfs/dbraw/zinc/91/98/04/706919804.db2.gz SMJBJMJOHHVXNG-LMWSTFAQSA-N 1 3 337.493 1.267 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999409760 706919806 /nfs/dbraw/zinc/91/98/06/706919806.db2.gz SMJBJMJOHHVXNG-LMWSTFAQSA-N 1 3 337.493 1.267 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000999834104 707467067 /nfs/dbraw/zinc/46/70/67/707467067.db2.gz RFBLNHDPTFGQIH-DAWZGUTISA-N 1 3 349.450 1.534 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001033225449 707853659 /nfs/dbraw/zinc/85/36/59/707853659.db2.gz HDOGONOZRYPUHS-IRXDYDNUSA-N 1 3 335.492 1.717 20 0 EDADHO O=c1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc[nH]1 ZINC000921766034 708002811 /nfs/dbraw/zinc/00/28/11/708002811.db2.gz CSUACBMMCJUSMP-ROUUACIJSA-N 1 3 327.428 1.760 20 0 EDADHO O=c1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc[nH]1 ZINC000921766034 708002813 /nfs/dbraw/zinc/00/28/13/708002813.db2.gz CSUACBMMCJUSMP-ROUUACIJSA-N 1 3 327.428 1.760 20 0 EDADHO Cc1noc(CCC[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC001005177720 708119126 /nfs/dbraw/zinc/11/91/26/708119126.db2.gz DDLLQCCSOGVCAL-INIZCTEOSA-N 1 3 349.479 1.328 20 0 EDADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033830614 708852099 /nfs/dbraw/zinc/85/20/99/708852099.db2.gz LNAFBUPAMNVVJJ-MSOLQXFVSA-N 1 3 345.491 1.148 20 0 EDADHO CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC001002874458 709480903 /nfs/dbraw/zinc/48/09/03/709480903.db2.gz IKBOKQYADRSSNU-QZTJIDSGSA-N 1 3 349.519 1.866 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001002954646 709655266 /nfs/dbraw/zinc/65/52/66/709655266.db2.gz HNQBRBNRFNGXMI-QGZVFWFLSA-N 1 3 333.480 1.338 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001002954646 709655269 /nfs/dbraw/zinc/65/52/69/709655269.db2.gz HNQBRBNRFNGXMI-QGZVFWFLSA-N 1 3 333.480 1.338 20 0 EDADHO COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340462 709803642 /nfs/dbraw/zinc/80/36/42/709803642.db2.gz NWVOJELLJAZGIQ-CVEARBPZSA-N 1 3 325.497 1.866 20 0 EDADHO COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340462 709803646 /nfs/dbraw/zinc/80/36/46/709803646.db2.gz NWVOJELLJAZGIQ-CVEARBPZSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)N1CCCC1 ZINC001034704209 710814288 /nfs/dbraw/zinc/81/42/88/710814288.db2.gz KGFICMGOYZUIIL-BRWVUGGUSA-N 1 3 337.508 1.914 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)C1 ZINC001034734683 710917013 /nfs/dbraw/zinc/91/70/13/710917013.db2.gz VEUZKAQOKHYUEH-BRWVUGGUSA-N 1 3 330.476 1.940 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(N)=O)CC1)N1CCCCCC1 ZINC001034748696 710955504 /nfs/dbraw/zinc/95/55/04/710955504.db2.gz BANFNWGRXRUYIB-FZKCQIBNSA-N 1 3 338.496 1.142 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001034787095 711092778 /nfs/dbraw/zinc/09/27/78/711092778.db2.gz XDBMESKUMZSQMJ-JYJNAYRXSA-N 1 3 334.464 1.847 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001034792404 711119447 /nfs/dbraw/zinc/11/94/47/711119447.db2.gz IWQCZKPIBHDUFY-RBSFLKMASA-N 1 3 336.505 1.920 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC001034792404 711119451 /nfs/dbraw/zinc/11/94/51/711119451.db2.gz IWQCZKPIBHDUFY-RBSFLKMASA-N 1 3 336.505 1.920 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387799 711427868 /nfs/dbraw/zinc/42/78/68/711427868.db2.gz BAVGCSGFPHEBAJ-GKLJAUDBSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387799 711427870 /nfs/dbraw/zinc/42/78/70/711427870.db2.gz BAVGCSGFPHEBAJ-GKLJAUDBSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001034958274 711431537 /nfs/dbraw/zinc/43/15/37/711431537.db2.gz GFIAJPCAOSSJQT-FUHWJXTLSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)C1 ZINC001034958274 711431540 /nfs/dbraw/zinc/43/15/40/711431540.db2.gz GFIAJPCAOSSJQT-FUHWJXTLSA-N 1 3 347.507 1.479 20 0 EDADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001034937445 711438463 /nfs/dbraw/zinc/43/84/63/711438463.db2.gz QYFCRCKWEVIIIO-OAHLLOKOSA-N 1 3 348.495 1.160 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391158 711455471 /nfs/dbraw/zinc/45/54/71/711455471.db2.gz UELMTFOCULBYPR-HGTKMLMNSA-N 1 3 326.872 1.643 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391158 711455474 /nfs/dbraw/zinc/45/54/74/711455474.db2.gz UELMTFOCULBYPR-HGTKMLMNSA-N 1 3 326.872 1.643 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396062 711470805 /nfs/dbraw/zinc/47/08/05/711470805.db2.gz ZUFXKPYLBYVDSD-DDBAPUKQSA-N 1 3 335.496 1.566 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396062 711470807 /nfs/dbraw/zinc/47/08/07/711470807.db2.gz ZUFXKPYLBYVDSD-DDBAPUKQSA-N 1 3 335.496 1.566 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546065 711957316 /nfs/dbraw/zinc/95/73/16/711957316.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546065 711957321 /nfs/dbraw/zinc/95/73/21/711957321.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 1 3 337.508 1.820 20 0 EDADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000561151156 306282899 /nfs/dbraw/zinc/28/28/99/306282899.db2.gz GDTJWVUYSZXWMI-WNRNVDISSA-N 1 3 328.460 1.558 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000353521344 539934187 /nfs/dbraw/zinc/93/41/87/539934187.db2.gz RFOVPBMDFIQMDK-KSZLIROESA-N 1 3 336.524 1.392 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000563207778 306323557 /nfs/dbraw/zinc/32/35/57/306323557.db2.gz BMVPMLLKLBDLGM-MRXNPFEDSA-N 1 3 331.460 1.438 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000364060884 283220239 /nfs/dbraw/zinc/22/02/39/283220239.db2.gz RTHMWVLMORDREW-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000413846373 304080503 /nfs/dbraw/zinc/08/05/03/304080503.db2.gz TYZPRZBAXQZSNV-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947675 306370956 /nfs/dbraw/zinc/37/09/56/306370956.db2.gz WNAGDZXLNZDNJA-GPMSIDNRSA-N 1 3 346.475 1.210 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987651 304093156 /nfs/dbraw/zinc/09/31/56/304093156.db2.gz YBLCYMLAPWLXAB-AEFFLSMTSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987651 304093158 /nfs/dbraw/zinc/09/31/58/304093158.db2.gz YBLCYMLAPWLXAB-AEFFLSMTSA-N 1 3 345.487 1.327 20 0 EDADHO CC[N@@H+]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000414002471 304093604 /nfs/dbraw/zinc/09/36/04/304093604.db2.gz AQDHYFBXYTWLKB-QGZVFWFLSA-N 1 3 330.476 1.409 20 0 EDADHO CC[N@H+]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000414002471 304093608 /nfs/dbraw/zinc/09/36/08/304093608.db2.gz AQDHYFBXYTWLKB-QGZVFWFLSA-N 1 3 330.476 1.409 20 0 EDADHO N[C@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000333288708 283645869 /nfs/dbraw/zinc/64/58/69/283645869.db2.gz OAVJZSXMOCVJDI-HOTGVXAUSA-N 1 3 325.416 1.338 20 0 EDADHO CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000565646198 306388789 /nfs/dbraw/zinc/38/87/89/306388789.db2.gz VOAQWGLAQHLVFN-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000073331809 216378312 /nfs/dbraw/zinc/37/83/12/216378312.db2.gz MQUVBWHVZJPCTR-QGZVFWFLSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000073331809 216378315 /nfs/dbraw/zinc/37/83/15/216378315.db2.gz MQUVBWHVZJPCTR-QGZVFWFLSA-N 1 3 344.503 1.798 20 0 EDADHO CCOc1cc(C)nc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414694653 304128366 /nfs/dbraw/zinc/12/83/66/304128366.db2.gz NHQCMMUJJMJGHI-GOEBONIOSA-N 1 3 333.480 1.694 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000414709583 304130727 /nfs/dbraw/zinc/13/07/27/304130727.db2.gz RHGXFRHJLXUGHV-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000414710347 304131327 /nfs/dbraw/zinc/13/13/27/304131327.db2.gz SICHCEKSUTUHSU-LSDHHAIUSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414747041 304136846 /nfs/dbraw/zinc/13/68/46/304136846.db2.gz GQAUWCMUCDMUOQ-CJNGLKHVSA-N 1 3 334.464 1.737 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733712 306426810 /nfs/dbraw/zinc/42/68/10/306426810.db2.gz HCZQLEVQISAXJH-HLIPFELVSA-N 1 3 349.519 1.350 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414998934 304149791 /nfs/dbraw/zinc/14/97/91/304149791.db2.gz RDHJFNYQLKCKKW-MRXNPFEDSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H](Nc1ccccc1CN1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116787 304161410 /nfs/dbraw/zinc/16/14/10/304161410.db2.gz IERIYWBGZOYXBN-ZOBUZTSGSA-N 1 3 330.476 1.794 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)[C@@H](C)C1 ZINC000236863744 139033669 /nfs/dbraw/zinc/03/36/69/139033669.db2.gz ICLLMPJZLVWGHU-XHSDSOJGSA-N 1 3 343.537 1.335 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)[C@@H](C)C1 ZINC000236863744 139033670 /nfs/dbraw/zinc/03/36/70/139033670.db2.gz ICLLMPJZLVWGHU-XHSDSOJGSA-N 1 3 343.537 1.335 20 0 EDADHO C[NH2+]CCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237184916 139043307 /nfs/dbraw/zinc/04/33/07/139043307.db2.gz GUIGVPAABWGGPU-UHFFFAOYSA-N 1 3 346.475 1.128 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415171196 304170250 /nfs/dbraw/zinc/17/02/50/304170250.db2.gz XIQITBLWOHAFGE-XKQJLSEDSA-N 1 3 344.459 1.730 20 0 EDADHO COc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1OCCN(C)C ZINC000237354593 139048964 /nfs/dbraw/zinc/04/89/64/139048964.db2.gz XKNWNNYAQCIYMH-HOTGVXAUSA-N 1 3 349.475 1.769 20 0 EDADHO [NH3+][C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000237964821 139065241 /nfs/dbraw/zinc/06/52/41/139065241.db2.gz QWZLJYGMIRDJDP-QGZVFWFLSA-N 1 3 331.460 1.838 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000111794363 220191967 /nfs/dbraw/zinc/19/19/67/220191967.db2.gz BBKJBZNBVJZMOE-ROUUACIJSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000111794363 220191969 /nfs/dbraw/zinc/19/19/69/220191969.db2.gz BBKJBZNBVJZMOE-ROUUACIJSA-N 1 3 348.491 1.699 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238025078 139066795 /nfs/dbraw/zinc/06/67/95/139066795.db2.gz ZUBZEKYALWLXBB-JWTNVVGKSA-N 1 3 342.487 1.598 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246288667 139102504 /nfs/dbraw/zinc/10/25/04/139102504.db2.gz NAYYOOWHTITXFH-WXSAJPJJSA-N 1 3 333.451 1.961 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246288667 139102505 /nfs/dbraw/zinc/10/25/05/139102505.db2.gz NAYYOOWHTITXFH-WXSAJPJJSA-N 1 3 333.451 1.961 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415306769 304190253 /nfs/dbraw/zinc/19/02/53/304190253.db2.gz IIPJZGBONITENN-UHFFFAOYSA-N 1 3 332.448 1.192 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915542 139126818 /nfs/dbraw/zinc/12/68/18/139126818.db2.gz GLTXDILLFCBSCW-KGLIPLIRSA-N 1 3 325.478 1.587 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126042 /nfs/dbraw/zinc/12/60/42/139126042.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126043 /nfs/dbraw/zinc/12/60/43/139126043.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126044 /nfs/dbraw/zinc/12/60/44/139126044.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 1 3 331.504 1.726 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415351034 304201180 /nfs/dbraw/zinc/20/11/80/304201180.db2.gz NBIMKSUDOBLBRN-GJZGRUSLSA-N 1 3 346.475 1.499 20 0 EDADHO CC[N@@H+]1CC[C@@H](NCc2ccnc(N3CCN(C)CC3)c2)[C@@H](C)C1 ZINC000247133847 139137046 /nfs/dbraw/zinc/13/70/46/139137046.db2.gz RVHCJSXMPSJATJ-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO CC[N@H+]1CC[C@@H](NCc2ccnc(N3CCN(C)CC3)c2)[C@@H](C)C1 ZINC000247133847 139137047 /nfs/dbraw/zinc/13/70/47/139137047.db2.gz RVHCJSXMPSJATJ-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)[C@@H](C)C1 ZINC000247133847 139137048 /nfs/dbraw/zinc/13/70/48/139137048.db2.gz RVHCJSXMPSJATJ-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)CC)[C@H](C)C1 ZINC000247218343 139141023 /nfs/dbraw/zinc/14/10/23/139141023.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)CC)[C@H](C)C1 ZINC000247218343 139141024 /nfs/dbraw/zinc/14/10/24/139141024.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000568974482 306493538 /nfs/dbraw/zinc/49/35/38/306493538.db2.gz BSGUYQYAARYHTP-CABCVRRESA-N 1 3 338.496 1.412 20 0 EDADHO CCOCc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262116205 139252187 /nfs/dbraw/zinc/25/21/87/139252187.db2.gz LFRKBYDFNMTBJE-GOSISDBHSA-N 1 3 333.476 1.711 20 0 EDADHO CC[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417005912 251126879 /nfs/dbraw/zinc/12/68/79/251126879.db2.gz FBFRYRFATFLEEE-CEXWTWQISA-N 1 3 342.487 1.684 20 0 EDADHO C[C@@H](C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364626 139273491 /nfs/dbraw/zinc/27/34/91/139273491.db2.gz KVAIEMDQKVSTNJ-DNVCBOLYSA-N 1 3 345.487 1.404 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)N(C)Cc1ccccc1 ZINC000417595212 251201597 /nfs/dbraw/zinc/20/15/97/251201597.db2.gz XRAORLDUTDTDKU-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417597958 251202629 /nfs/dbraw/zinc/20/26/29/251202629.db2.gz WFVOINCJHGMBSH-MRXNPFEDSA-N 1 3 348.491 1.816 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417744986 251252738 /nfs/dbraw/zinc/25/27/38/251252738.db2.gz DUBOKHOYYVMHQG-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417801175 251274953 /nfs/dbraw/zinc/27/49/53/251274953.db2.gz CKXZTPXFCVUULK-UHFFFAOYSA-N 1 3 326.485 1.317 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992546 251318633 /nfs/dbraw/zinc/31/86/33/251318633.db2.gz WPUINTXULXFZOK-QGZVFWFLSA-N 1 3 347.507 1.101 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123439 251334412 /nfs/dbraw/zinc/33/44/12/251334412.db2.gz YWVTZZZYLAYOOH-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@H]1[NH3+] ZINC000418162668 251350524 /nfs/dbraw/zinc/35/05/24/251350524.db2.gz GMEGWYKFSUXYAV-RDTXWAMCSA-N 1 3 346.475 1.648 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418405905 251364882 /nfs/dbraw/zinc/36/48/82/251364882.db2.gz LIQMETUFJWKRPJ-GOSISDBHSA-N 1 3 347.507 1.713 20 0 EDADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418688751 251386316 /nfs/dbraw/zinc/38/63/16/251386316.db2.gz FHFRGNXFDXUYKH-QFBILLFUSA-N 1 3 348.491 1.440 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658709 139293803 /nfs/dbraw/zinc/29/38/03/139293803.db2.gz WAWSENTVISFAGZ-IAGOWNOFSA-N 1 3 330.476 1.890 20 0 EDADHO C[NH2+]CCCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262648909 139292950 /nfs/dbraw/zinc/29/29/50/139292950.db2.gz PVWVUFPYTMQRER-HNNXBMFYSA-N 1 3 332.448 1.322 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000262699884 139297306 /nfs/dbraw/zinc/29/73/06/139297306.db2.gz HGQKZAAYDXHJDF-FQEVSTJZSA-N 1 3 346.519 1.958 20 0 EDADHO C[C@H](CC(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262738572 139300102 /nfs/dbraw/zinc/30/01/02/139300102.db2.gz DAZWVHCCMAZXOR-TZMCWYRMSA-N 1 3 342.447 1.895 20 0 EDADHO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422864572 252003804 /nfs/dbraw/zinc/00/38/04/252003804.db2.gz VLPVEYBEZVZZHT-OWCLPIDISA-N 1 3 331.526 1.558 20 0 EDADHO CCS(=O)(=O)N(C)CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864572 252003806 /nfs/dbraw/zinc/00/38/06/252003806.db2.gz VLPVEYBEZVZZHT-OWCLPIDISA-N 1 3 331.526 1.558 20 0 EDADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423043866 252027604 /nfs/dbraw/zinc/02/76/04/252027604.db2.gz AESIOSZDWNIGNL-DLBZAZTESA-N 1 3 337.489 1.976 20 0 EDADHO C[C@H](NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423067852 252034004 /nfs/dbraw/zinc/03/40/04/252034004.db2.gz AHUUSTLZZSYRJE-ZFWWWQNUSA-N 1 3 331.526 1.699 20 0 EDADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413973 252053764 /nfs/dbraw/zinc/05/37/64/252053764.db2.gz BJOKJNXSSICYCK-ILXRZTDVSA-N 1 3 331.464 1.196 20 0 EDADHO CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000424154772 252147895 /nfs/dbraw/zinc/14/78/95/252147895.db2.gz LXLRPAWBRGQDSF-UKRRQHHQSA-N 1 3 331.464 1.196 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000424434224 252228363 /nfs/dbraw/zinc/22/83/63/252228363.db2.gz DGZFGNISPRUOKG-ZDUSSCGKSA-N 1 3 332.448 1.240 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000424473882 252245210 /nfs/dbraw/zinc/24/52/10/252245210.db2.gz WWDJORFSPJXTDV-UHFFFAOYSA-N 1 3 346.475 1.775 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651422 285058421 /nfs/dbraw/zinc/05/84/21/285058421.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651422 285058423 /nfs/dbraw/zinc/05/84/23/285058423.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415651582 304247991 /nfs/dbraw/zinc/24/79/91/304247991.db2.gz GSFKFNFUEFEEFH-WMLDXEAASA-N 1 3 346.475 1.581 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H](C)COC ZINC000360157692 285245974 /nfs/dbraw/zinc/24/59/74/285245974.db2.gz VUBCHIOWSZNABM-IXDOHACOSA-N 1 3 327.513 1.780 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H](C)COC ZINC000360157692 285245976 /nfs/dbraw/zinc/24/59/76/285245976.db2.gz VUBCHIOWSZNABM-IXDOHACOSA-N 1 3 327.513 1.780 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000492262724 255166249 /nfs/dbraw/zinc/16/62/49/255166249.db2.gz QHYHNLHLBKDZJS-SOFGYWHQSA-N 1 3 325.497 1.701 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000492262724 255166250 /nfs/dbraw/zinc/16/62/50/255166250.db2.gz QHYHNLHLBKDZJS-SOFGYWHQSA-N 1 3 325.497 1.701 20 0 EDADHO CC1CCN(CCC[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496074014 255349455 /nfs/dbraw/zinc/34/94/55/255349455.db2.gz XPBHQBUBKIQZPJ-MRXNPFEDSA-N 1 3 343.512 1.926 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581025 285276624 /nfs/dbraw/zinc/27/66/24/285276624.db2.gz NUAYREZRRGJAIE-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581025 285276628 /nfs/dbraw/zinc/27/66/28/285276628.db2.gz NUAYREZRRGJAIE-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118127373 221127117 /nfs/dbraw/zinc/12/71/17/221127117.db2.gz DSDGHRJHKYAJKA-KRWDZBQOSA-N 1 3 346.475 1.677 20 0 EDADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCN(C)C)cc2)CC1 ZINC000118094112 221114288 /nfs/dbraw/zinc/11/42/88/221114288.db2.gz HNRHSXIXXQLBTF-UHFFFAOYSA-N 1 3 346.475 1.535 20 0 EDADHO C[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]C1 ZINC000269437940 139933579 /nfs/dbraw/zinc/93/35/79/139933579.db2.gz PTBCMNAWRIQGIT-FQEVSTJZSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000270636531 140138786 /nfs/dbraw/zinc/13/87/86/140138786.db2.gz HAJNCKKQGVCIGU-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO [NH3+][C@@H](CCC(=O)Nc1ccc(N2CCNCC2)cn1)c1ccccc1 ZINC000571865068 306576077 /nfs/dbraw/zinc/57/60/77/306576077.db2.gz UQRIFVSLOXGODY-KRWDZBQOSA-N 1 3 339.443 1.910 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC[C@H]1C ZINC000345719273 143125352 /nfs/dbraw/zinc/12/53/52/143125352.db2.gz BPPFYDWUUVYVLU-BRWVUGGUSA-N 1 3 325.497 1.534 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC[C@H]1C ZINC000345719273 143125353 /nfs/dbraw/zinc/12/53/53/143125353.db2.gz BPPFYDWUUVYVLU-BRWVUGGUSA-N 1 3 325.497 1.534 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196994 /nfs/dbraw/zinc/19/69/94/143196994.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196995 /nfs/dbraw/zinc/19/69/95/143196995.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 1 3 325.497 1.722 20 0 EDADHO COC(=O)c1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1C ZINC000346643503 143225458 /nfs/dbraw/zinc/22/54/58/143225458.db2.gz JZAQXTBOGCUSLF-HUUCEWRRSA-N 1 3 337.464 1.791 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccc3c[nH]nc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000346674770 143230094 /nfs/dbraw/zinc/23/00/94/143230094.db2.gz IZYJJMHESKGMKO-WBVHZDCISA-N 1 3 341.459 1.643 20 0 EDADHO CCOC(=O)COCCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347755754 143358561 /nfs/dbraw/zinc/35/85/61/143358561.db2.gz XRMBFAWFBCWYRY-IYBDPMFKSA-N 1 3 342.480 1.387 20 0 EDADHO CCOC(=O)COCCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347755754 143358562 /nfs/dbraw/zinc/35/85/62/143358562.db2.gz XRMBFAWFBCWYRY-IYBDPMFKSA-N 1 3 342.480 1.387 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180075 143533392 /nfs/dbraw/zinc/53/33/92/143533392.db2.gz CYAKIKNUTMGLSL-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000416843202 304351059 /nfs/dbraw/zinc/35/10/59/304351059.db2.gz OHLDJAFIXYJHRI-QZTJIDSGSA-N 1 3 348.491 1.611 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000355064748 150099302 /nfs/dbraw/zinc/09/93/02/150099302.db2.gz SRDFBERSUQYZDE-QAPCUYQASA-N 1 3 348.491 1.393 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000355064748 150099303 /nfs/dbraw/zinc/09/93/03/150099303.db2.gz SRDFBERSUQYZDE-QAPCUYQASA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000355510576 150298587 /nfs/dbraw/zinc/29/85/87/150298587.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000355510576 150298590 /nfs/dbraw/zinc/29/85/90/150298590.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 1 3 330.476 1.997 20 0 EDADHO CSC1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CCN(C)CC1 ZINC000358288657 151327201 /nfs/dbraw/zinc/32/72/01/151327201.db2.gz NXYDNVDYMVDPIW-UHFFFAOYSA-N 1 3 342.553 1.940 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358447176 151379328 /nfs/dbraw/zinc/37/93/28/151379328.db2.gz ZARDVRFQLWJRHE-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358447176 151379331 /nfs/dbraw/zinc/37/93/31/151379331.db2.gz ZARDVRFQLWJRHE-JYJNAYRXSA-N 1 3 328.501 1.467 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417091390 304371649 /nfs/dbraw/zinc/37/16/49/304371649.db2.gz JSWYTQJSDSZFCW-QGZVFWFLSA-N 1 3 334.464 1.141 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000417091390 304371650 /nfs/dbraw/zinc/37/16/50/304371650.db2.gz JSWYTQJSDSZFCW-QGZVFWFLSA-N 1 3 334.464 1.141 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000417115015 304373898 /nfs/dbraw/zinc/37/38/98/304373898.db2.gz OOCKIGQJSQPXHX-OAHLLOKOSA-N 1 3 340.537 1.741 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417122807 304375023 /nfs/dbraw/zinc/37/50/23/304375023.db2.gz YEHCLEOKQBXSTA-AWEZNQCLSA-N 1 3 328.526 1.503 20 0 EDADHO C[NH+](C)[C@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000360571877 152102502 /nfs/dbraw/zinc/10/25/02/152102502.db2.gz RLHQCAKIILQMTQ-SFHVURJKSA-N 1 3 345.491 1.434 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081766 152297855 /nfs/dbraw/zinc/29/78/55/152297855.db2.gz SHACAYLRLYYSQG-IAGOWNOFSA-N 1 3 335.492 1.526 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164614 152323731 /nfs/dbraw/zinc/32/37/31/152323731.db2.gz RKEADWZAODFQFJ-ZWKOTPCHSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164614 152323733 /nfs/dbraw/zinc/32/37/33/152323733.db2.gz RKEADWZAODFQFJ-ZWKOTPCHSA-N 1 3 341.540 1.824 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC([NH+]2CCCC2)CC1 ZINC000363569929 153003648 /nfs/dbraw/zinc/00/36/48/153003648.db2.gz SVGOQTNFIYWCQT-IRXDYDNUSA-N 1 3 336.480 1.119 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417194906 304383052 /nfs/dbraw/zinc/38/30/52/304383052.db2.gz NKEMMUVPICYDMP-VJANTYMQSA-N 1 3 344.503 1.928 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000364471344 153247936 /nfs/dbraw/zinc/24/79/36/153247936.db2.gz ZCTNPSBBCUSGKP-IBGZPJMESA-N 1 3 345.487 1.792 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417195657 304383606 /nfs/dbraw/zinc/38/36/06/304383606.db2.gz ODMJDDSMFYCFFW-UYAOXDASSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369532049 155074362 /nfs/dbraw/zinc/07/43/62/155074362.db2.gz QFRYRAUIOSHKNK-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968662 156189632 /nfs/dbraw/zinc/18/96/32/156189632.db2.gz ZYURJAOIIDBPLQ-CRAIPNDOSA-N 1 3 334.508 1.987 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)CC12CCOCC2 ZINC000575179749 306666518 /nfs/dbraw/zinc/66/65/18/306666518.db2.gz MSJBHRVIBXISPH-NVXWUHKLSA-N 1 3 329.444 1.087 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000374357844 157259434 /nfs/dbraw/zinc/25/94/34/157259434.db2.gz LJSSMFKXTSNFJV-QGZVFWFLSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418329640 304481124 /nfs/dbraw/zinc/48/11/24/304481124.db2.gz OUXHLUWRNURHHO-ROUUACIJSA-N 1 3 345.491 1.592 20 0 EDADHO CO[C@@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122724026 222144620 /nfs/dbraw/zinc/14/46/20/222144620.db2.gz AKSBNKVCBYGDSC-IAGOWNOFSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665760884 452334597 /nfs/dbraw/zinc/33/45/97/452334597.db2.gz REVXUMYSAUTWKP-ARFHVFGLSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](O)[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665760884 452334607 /nfs/dbraw/zinc/33/46/07/452334607.db2.gz REVXUMYSAUTWKP-ARFHVFGLSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000665763574 452342994 /nfs/dbraw/zinc/34/29/94/452342994.db2.gz GBUMOMVRMFKDGQ-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000418432236 304495110 /nfs/dbraw/zinc/49/51/10/304495110.db2.gz YYMJQPCWKZXONJ-GJZGRUSLSA-N 1 3 326.485 1.399 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000193524845 272995198 /nfs/dbraw/zinc/99/51/98/272995198.db2.gz TUUZHHIWHRZULN-PKOBYXMFSA-N 1 3 344.503 1.846 20 0 EDADHO CN1CCC(O)(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276116934 273149785 /nfs/dbraw/zinc/14/97/85/273149785.db2.gz FPEACYQVXGUCNV-UHFFFAOYSA-N 1 3 348.491 1.047 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563297 273814505 /nfs/dbraw/zinc/81/45/05/273814505.db2.gz XVQWSTTXDAYPNR-HOTGVXAUSA-N 1 3 341.459 1.389 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397298 /nfs/dbraw/zinc/39/72/98/274397298.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 1 3 347.503 1.839 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397301 /nfs/dbraw/zinc/39/73/01/274397301.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 1 3 347.503 1.839 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414903032 276119963 /nfs/dbraw/zinc/11/99/63/276119963.db2.gz KXASQCBLHBMZFE-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000343340170 276377655 /nfs/dbraw/zinc/37/76/55/276377655.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000343340170 276377656 /nfs/dbraw/zinc/37/76/56/276377656.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 1 3 347.507 1.320 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462887 276789399 /nfs/dbraw/zinc/78/93/99/276789399.db2.gz ZJKDXNWGBYRJJY-YESZJQIVSA-N 1 3 346.475 1.039 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636350 277105198 /nfs/dbraw/zinc/10/51/98/277105198.db2.gz HTWNMLOGOLBNNJ-MSOLQXFVSA-N 1 3 330.476 1.091 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515087 277229069 /nfs/dbraw/zinc/22/90/69/277229069.db2.gz PQCWYSYSKUXPPR-FUHWJXTLSA-N 1 3 333.476 1.734 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515087 277229071 /nfs/dbraw/zinc/22/90/71/277229071.db2.gz PQCWYSYSKUXPPR-FUHWJXTLSA-N 1 3 333.476 1.734 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029261 277310452 /nfs/dbraw/zinc/31/04/52/277310452.db2.gz RJUOZEQBQVTCLQ-QZTJIDSGSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000249030719 277540277 /nfs/dbraw/zinc/54/02/77/277540277.db2.gz LYYKEVHNEYAGSZ-FPCVCCKLSA-N 1 3 325.497 1.708 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000417814112 278173408 /nfs/dbraw/zinc/17/34/08/278173408.db2.gz MXZCCOATXATQDD-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417814112 278173409 /nfs/dbraw/zinc/17/34/09/278173409.db2.gz MXZCCOATXATQDD-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364007527 279123532 /nfs/dbraw/zinc/12/35/32/279123532.db2.gz XFEOYFQMOFDBNK-MRXNPFEDSA-N 1 3 342.528 1.451 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417744180 279360816 /nfs/dbraw/zinc/36/08/16/279360816.db2.gz DPMPCMIKVLLAOB-IKGGRYGDSA-N 1 3 339.528 1.171 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCN(C)CC1 ZINC000340962976 280247534 /nfs/dbraw/zinc/24/75/34/280247534.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCN(C)CC1 ZINC000340962976 280247535 /nfs/dbraw/zinc/24/75/35/280247535.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 1 3 339.528 1.040 20 0 EDADHO CC[C@H](C(=O)NC[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000442834417 280678971 /nfs/dbraw/zinc/67/89/71/280678971.db2.gz DEGJDKILPHLISC-RVKKMQEKSA-N 1 3 340.512 1.022 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289953703 288810162 /nfs/dbraw/zinc/81/01/62/288810162.db2.gz PJVYQCNLMIKOCK-INIZCTEOSA-N 1 3 333.432 1.892 20 0 EDADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)NCc1ccco1 ZINC000291378233 289047055 /nfs/dbraw/zinc/04/70/55/289047055.db2.gz AQAKFFQMPGLDPJ-CQSZACIVSA-N 1 3 328.416 1.938 20 0 EDADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)NCc1ccco1 ZINC000291378226 289047064 /nfs/dbraw/zinc/04/70/64/289047064.db2.gz AQAKFFQMPGLDPJ-AWEZNQCLSA-N 1 3 328.416 1.938 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)C23CCC[NH+]2CCC3)ccn1 ZINC000291444698 289067356 /nfs/dbraw/zinc/06/73/56/289067356.db2.gz MSLXHZOXYGNVLR-UHFFFAOYSA-N 1 3 332.448 1.267 20 0 EDADHO CN1CCC(CCO)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427091619 289082521 /nfs/dbraw/zinc/08/25/21/289082521.db2.gz FKSFIYWRTDMTFW-UHFFFAOYSA-N 1 3 325.497 1.462 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000342594801 289215474 /nfs/dbraw/zinc/21/54/74/289215474.db2.gz WRKXCBSZEXNZGA-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352821 289278022 /nfs/dbraw/zinc/27/80/22/289278022.db2.gz AYBXVOOBTFOWCA-DLBZAZTESA-N 1 3 332.492 1.383 20 0 EDADHO CN1CCN(CC[NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000496855177 290043813 /nfs/dbraw/zinc/04/38/13/290043813.db2.gz OXZYPMCBRMEFGR-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486964370 290275276 /nfs/dbraw/zinc/27/52/76/290275276.db2.gz HURWXWAEOUHXDV-RKVPGOIHSA-N 1 3 330.476 1.921 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486964370 290275281 /nfs/dbraw/zinc/27/52/81/290275281.db2.gz HURWXWAEOUHXDV-RKVPGOIHSA-N 1 3 330.476 1.921 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@@H](C)N2CCC(C)CC2)CCC[NH2+]1 ZINC000417311478 293290269 /nfs/dbraw/zinc/29/02/69/293290269.db2.gz MAFOMMUZSVYWHC-NVXWUHKLSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417739664 297396879 /nfs/dbraw/zinc/39/68/79/297396879.db2.gz QQISFSMJFIFLHT-HUUCEWRRSA-N 1 3 330.476 1.464 20 0 EDADHO O=C1CCCN1CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756896 304626382 /nfs/dbraw/zinc/62/63/82/304626382.db2.gz CPLQHYUDIAUMSZ-QFBILLFUSA-N 1 3 329.444 1.844 20 0 EDADHO CCCN1CC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924582 453250428 /nfs/dbraw/zinc/25/04/28/453250428.db2.gz IKIDYVVJDSLLDO-HNNXBMFYSA-N 1 3 326.485 1.005 20 0 EDADHO Cn1nccc1[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994500 303097421 /nfs/dbraw/zinc/09/74/21/303097421.db2.gz BSAMCOCIOCTGEA-CRAIPNDOSA-N 1 3 331.464 1.298 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000664815967 453423062 /nfs/dbraw/zinc/42/30/62/453423062.db2.gz YNGBAEPBQSWZQV-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000664815967 453423071 /nfs/dbraw/zinc/42/30/71/453423071.db2.gz YNGBAEPBQSWZQV-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO O=C(CCC[NH2+][C@H]1CCCNCC1)N1CCN(c2ccccc2)CC1 ZINC000422914723 304880032 /nfs/dbraw/zinc/88/00/32/304880032.db2.gz VRVOKPCCPYHVFA-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO CC(C)C[C@H](N[C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCCN(C)C ZINC000423021415 304883341 /nfs/dbraw/zinc/88/33/41/304883341.db2.gz CAHFKQZYYXVXEQ-KSZLIROESA-N 1 3 340.556 1.979 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000423739282 304907142 /nfs/dbraw/zinc/90/71/42/304907142.db2.gz VQRDPMIFCQJZIL-MRXNPFEDSA-N 1 3 342.447 1.022 20 0 EDADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC(C[NH3+])CC1 ZINC000430599341 305058046 /nfs/dbraw/zinc/05/80/46/305058046.db2.gz AIHWVMVYOZXSIQ-MRXNPFEDSA-N 1 3 330.476 1.394 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000431034591 305073380 /nfs/dbraw/zinc/07/33/80/305073380.db2.gz XZFPLZDXOAKUNH-WMZOPIPTSA-N 1 3 325.497 1.773 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059691 305074087 /nfs/dbraw/zinc/07/40/87/305074087.db2.gz CXDMQGLDCRSHFR-IMFGXOCKSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000432415053 305093127 /nfs/dbraw/zinc/09/31/27/305093127.db2.gz USRXHYKIZCBNKV-CVEARBPZSA-N 1 3 344.463 1.814 20 0 EDADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000432415053 305093128 /nfs/dbraw/zinc/09/31/28/305093128.db2.gz USRXHYKIZCBNKV-CVEARBPZSA-N 1 3 344.463 1.814 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000433406991 305108261 /nfs/dbraw/zinc/10/82/61/305108261.db2.gz UONUTVXGHNPWCA-KKUMJFAQSA-N 1 3 334.468 1.005 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCO1 ZINC000433452345 305109139 /nfs/dbraw/zinc/10/91/39/305109139.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCN(C3CC3)C2)CCCO1 ZINC000433452345 305109140 /nfs/dbraw/zinc/10/91/40/305109140.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 1 3 338.496 1.365 20 0 EDADHO CC1(C)Cc2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2O1 ZINC000435374060 305139342 /nfs/dbraw/zinc/13/93/42/305139342.db2.gz HAQKOMUUAWQDPP-OAHLLOKOSA-N 1 3 331.460 1.687 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458407527 447349481 /nfs/dbraw/zinc/34/94/81/447349481.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458407527 447349488 /nfs/dbraw/zinc/34/94/88/447349488.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419699714 447357503 /nfs/dbraw/zinc/35/75/03/447357503.db2.gz RKSQVJILLGWPGL-OAHLLOKOSA-N 1 3 340.512 1.056 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377791475 447358441 /nfs/dbraw/zinc/35/84/41/447358441.db2.gz FNAUSFFVGAEGTC-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377791475 447358444 /nfs/dbraw/zinc/35/84/44/447358444.db2.gz FNAUSFFVGAEGTC-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)n(C2CCN(C)CC2)n1 ZINC000520369176 305778648 /nfs/dbraw/zinc/77/86/48/305778648.db2.gz BXTKHRSWWJVRRG-QGZVFWFLSA-N 1 3 334.468 1.707 20 0 EDADHO COc1ccccc1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524936600 305821088 /nfs/dbraw/zinc/82/10/88/305821088.db2.gz PKMIQDLWARQQCY-UHFFFAOYSA-N 1 3 336.480 1.373 20 0 EDADHO COc1ccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000524931936 305821165 /nfs/dbraw/zinc/82/11/65/305821165.db2.gz LWUPNLPIKQBDKT-HNNXBMFYSA-N 1 3 336.480 1.891 20 0 EDADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2C1 ZINC000538709310 306032724 /nfs/dbraw/zinc/03/27/24/306032724.db2.gz DRNCRJWJIYWNPY-MJGOQNOKSA-N 1 3 331.460 1.526 20 0 EDADHO CSc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000540096177 306038931 /nfs/dbraw/zinc/03/89/31/306038931.db2.gz AOJCIBTZWOTRDY-UHFFFAOYSA-N 1 3 339.509 1.438 20 0 EDADHO C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000551104105 306155808 /nfs/dbraw/zinc/15/58/08/306155808.db2.gz BCEKFLSMLMKKFA-ROUUACIJSA-N 1 3 333.476 1.470 20 0 EDADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000551739252 306160940 /nfs/dbraw/zinc/16/09/40/306160940.db2.gz YUMFITBMTVLBQG-RTBURBONSA-N 1 3 347.503 1.718 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCc3ccccc3OC2)C1 ZINC000493974589 447421590 /nfs/dbraw/zinc/42/15/90/447421590.db2.gz BWIGSFUWGWFKFK-IAGOWNOFSA-N 1 3 331.460 1.557 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCc3ccccc3OC2)C1 ZINC000493974589 447421593 /nfs/dbraw/zinc/42/15/93/447421593.db2.gz BWIGSFUWGWFKFK-IAGOWNOFSA-N 1 3 331.460 1.557 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426390199 447432652 /nfs/dbraw/zinc/43/26/52/447432652.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426390199 447432657 /nfs/dbraw/zinc/43/26/57/447432657.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCCC[NH+]2CCCC2)c1 ZINC000045121417 440952409 /nfs/dbraw/zinc/95/24/09/440952409.db2.gz NNTYYBIYANONQO-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000422273034 447435912 /nfs/dbraw/zinc/43/59/12/447435912.db2.gz ZUPLQZXHIRRXIQ-HWOWSKLDSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](C(=O)NC(N)=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726507 441202036 /nfs/dbraw/zinc/20/20/36/441202036.db2.gz ULNNIVUEYHXZCS-HNNXBMFYSA-N 1 3 346.475 1.804 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458658937 447441624 /nfs/dbraw/zinc/44/16/24/447441624.db2.gz ONGVXVILRXWGAY-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccn1 ZINC000173906186 441860175 /nfs/dbraw/zinc/86/01/75/441860175.db2.gz KFJPSKSKJZFOLF-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccccn1 ZINC000173906186 441860181 /nfs/dbraw/zinc/86/01/81/441860181.db2.gz KFJPSKSKJZFOLF-SFHVURJKSA-N 1 3 347.507 1.682 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000151166101 442017323 /nfs/dbraw/zinc/01/73/23/442017323.db2.gz CEFDWRTUIUJSLK-QGZVFWFLSA-N 1 3 335.492 2.000 20 0 EDADHO CN(C)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000152167432 442174443 /nfs/dbraw/zinc/17/44/43/442174443.db2.gz PMUJRDOYCQJELT-GOSISDBHSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000152167432 442174448 /nfs/dbraw/zinc/17/44/48/442174448.db2.gz PMUJRDOYCQJELT-GOSISDBHSA-N 1 3 333.476 1.715 20 0 EDADHO C[C@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)N1CCN(C)CC1 ZINC000127692382 442220169 /nfs/dbraw/zinc/22/01/69/442220169.db2.gz CHWVTPLERGSIMQ-YRXWBPOGSA-N 1 3 338.540 1.101 20 0 EDADHO CCCCOCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000171204259 442327533 /nfs/dbraw/zinc/32/75/33/442327533.db2.gz ZAPDQPMSNIPJJF-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379711 442333683 /nfs/dbraw/zinc/33/36/83/442333683.db2.gz ZTNVQXZUGUBZMM-HNNXBMFYSA-N 1 3 326.529 1.638 20 0 EDADHO C[C@H](CNC(=O)NCc1ccnc(OCCN(C)C)c1)[N@H+](C)C1CC1 ZINC000135653400 442624054 /nfs/dbraw/zinc/62/40/54/442624054.db2.gz DWOKZTZQBFOHRH-CQSZACIVSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@H](CNC(=O)NCc1ccnc(OCCN(C)C)c1)[N@@H+](C)C1CC1 ZINC000135653400 442624058 /nfs/dbraw/zinc/62/40/58/442624058.db2.gz DWOKZTZQBFOHRH-CQSZACIVSA-N 1 3 349.479 1.304 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000192781886 442685933 /nfs/dbraw/zinc/68/59/33/442685933.db2.gz TVGDJQCXKXFEIA-SFHVURJKSA-N 1 3 341.540 1.778 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000192781886 442685935 /nfs/dbraw/zinc/68/59/35/442685935.db2.gz TVGDJQCXKXFEIA-SFHVURJKSA-N 1 3 341.540 1.778 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953469 442700151 /nfs/dbraw/zinc/70/01/51/442700151.db2.gz SLDWEMYWACNTTJ-DSLXNQLJSA-N 1 3 345.487 1.875 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ncn1 ZINC000246497498 442786937 /nfs/dbraw/zinc/78/69/37/442786937.db2.gz SKLVSHHZLSPFBK-KLHDSHLOSA-N 1 3 332.496 1.805 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ncn1 ZINC000246497498 442786940 /nfs/dbraw/zinc/78/69/40/442786940.db2.gz SKLVSHHZLSPFBK-KLHDSHLOSA-N 1 3 332.496 1.805 20 0 EDADHO CCn1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000195119006 442983760 /nfs/dbraw/zinc/98/37/60/442983760.db2.gz BDXGKZDFJOEBFM-MRXNPFEDSA-N 1 3 336.484 1.783 20 0 EDADHO CCn1cc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1 ZINC000195119006 442983765 /nfs/dbraw/zinc/98/37/65/442983765.db2.gz BDXGKZDFJOEBFM-MRXNPFEDSA-N 1 3 336.484 1.783 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1(C)C ZINC000249095193 442950597 /nfs/dbraw/zinc/95/05/97/442950597.db2.gz XKWOTRIKSFWHAU-RKVPGOIHSA-N 1 3 325.497 1.709 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](O)C34CCC4)CC2)CC1 ZINC000619069800 450399105 /nfs/dbraw/zinc/39/91/05/450399105.db2.gz FPRPLKKEBAPBEH-ROUUACIJSA-N 1 3 349.519 1.602 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235360 443244319 /nfs/dbraw/zinc/24/43/19/443244319.db2.gz GHTCZVWUPTUAJR-ROUUACIJSA-N 1 3 331.460 1.046 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000269235360 443244322 /nfs/dbraw/zinc/24/43/22/443244322.db2.gz GHTCZVWUPTUAJR-ROUUACIJSA-N 1 3 331.460 1.046 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269226898 443240256 /nfs/dbraw/zinc/24/02/56/443240256.db2.gz FKNRBQGRFCPIGC-APWZRJJASA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269226898 443240259 /nfs/dbraw/zinc/24/02/59/443240259.db2.gz FKNRBQGRFCPIGC-APWZRJJASA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](C)C1 ZINC000262712402 443207730 /nfs/dbraw/zinc/20/77/30/443207730.db2.gz FSTCUJIBWOBABH-BZUAXINKSA-N 1 3 333.480 1.658 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1CN1CCCC1 ZINC000262854426 443215092 /nfs/dbraw/zinc/21/50/92/443215092.db2.gz SQYLQTBAFDRIDB-HZPDHXFCSA-N 1 3 331.464 1.508 20 0 EDADHO CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185730418 443246291 /nfs/dbraw/zinc/24/62/91/443246291.db2.gz UXTPVKGVUIJAOR-LSDHHAIUSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CCN1Cc1ccccc1 ZINC000269250880 443251028 /nfs/dbraw/zinc/25/10/28/443251028.db2.gz GWOUXMAZOKZAEI-IEBWSBKVSA-N 1 3 345.487 1.878 20 0 EDADHO [NH3+]C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000269257528 443253982 /nfs/dbraw/zinc/25/39/82/443253982.db2.gz KOUVVJYJKXFEDB-GOSISDBHSA-N 1 3 331.460 1.300 20 0 EDADHO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412252739 319228573 /nfs/dbraw/zinc/22/85/73/319228573.db2.gz QPMRSBFCTCZMFX-LJQANCHMSA-N 1 3 331.460 1.469 20 0 EDADHO C[N@H+]1CC[C@@](O)(CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412252739 319228576 /nfs/dbraw/zinc/22/85/76/319228576.db2.gz QPMRSBFCTCZMFX-LJQANCHMSA-N 1 3 331.460 1.469 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511786 319272521 /nfs/dbraw/zinc/27/25/21/319272521.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511786 319272523 /nfs/dbraw/zinc/27/25/23/319272523.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000414685128 319342209 /nfs/dbraw/zinc/34/22/09/319342209.db2.gz YBBATGPXDHYGCQ-MRXNPFEDSA-N 1 3 348.491 1.827 20 0 EDADHO O=C(C[NH2+]CC1CC1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269267230 443258583 /nfs/dbraw/zinc/25/85/83/443258583.db2.gz PZRLOGPDNUXKMR-UHFFFAOYSA-N 1 3 349.450 1.785 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CCN(C2CCC2)C1 ZINC000415269194 319359114 /nfs/dbraw/zinc/35/91/14/319359114.db2.gz OWFATMCGFNTOEZ-CQSZACIVSA-N 1 3 344.459 1.417 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415822610 319374076 /nfs/dbraw/zinc/37/40/76/319374076.db2.gz MQWLXRRIRHSXDC-KRWDZBQOSA-N 1 3 346.475 1.363 20 0 EDADHO CC(C)[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000269313302 443278404 /nfs/dbraw/zinc/27/84/04/443278404.db2.gz XYDDTHNVDJGJMH-ZWKOTPCHSA-N 1 3 332.492 1.465 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000416839094 319465848 /nfs/dbraw/zinc/46/58/48/319465848.db2.gz JJSXJFYNYTYUEJ-CADBVGFASA-N 1 3 344.503 1.928 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417371127 319495163 /nfs/dbraw/zinc/49/51/63/319495163.db2.gz VBJCJTBYWKJTHY-RDJZCZTQSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@@H]1C[N@H+](CCCNCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278455043 443337053 /nfs/dbraw/zinc/33/70/53/443337053.db2.gz YODLGOQYSPNZCA-OAHLLOKOSA-N 1 3 345.443 1.373 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278455043 443337057 /nfs/dbraw/zinc/33/70/57/443337057.db2.gz YODLGOQYSPNZCA-OAHLLOKOSA-N 1 3 345.443 1.373 20 0 EDADHO CN1CCC(O)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000267094868 443339967 /nfs/dbraw/zinc/33/99/67/443339967.db2.gz KVCRGWWVASJKNU-UHFFFAOYSA-N 1 3 345.487 1.859 20 0 EDADHO C[C@](NCC[C@H]1CC[NH2+]C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000420382911 319613138 /nfs/dbraw/zinc/61/31/38/319613138.db2.gz ZCBNFFLMYPQLGV-IAQYHMDHSA-N 1 3 329.366 1.995 20 0 EDADHO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000423584478 319787671 /nfs/dbraw/zinc/78/76/71/319787671.db2.gz NPSMKDKZXTZSHU-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000265390799 443626156 /nfs/dbraw/zinc/62/61/56/443626156.db2.gz SRUVJXIKJGBVDG-IBGZPJMESA-N 1 3 345.487 1.688 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000276163060 443658573 /nfs/dbraw/zinc/65/85/73/443658573.db2.gz FALNBVXKQAYVBJ-UHFFFAOYSA-N 1 3 346.519 1.999 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444271953 320123991 /nfs/dbraw/zinc/12/39/91/320123991.db2.gz UWCAZJZDKFYBMY-ICSRJNTNSA-N 1 3 342.487 1.762 20 0 EDADHO OC1CCN(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196519 /nfs/dbraw/zinc/19/65/19/320196519.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196521 /nfs/dbraw/zinc/19/65/21/320196521.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196523 /nfs/dbraw/zinc/19/65/23/320196523.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196621 /nfs/dbraw/zinc/19/66/21/320196621.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196622 /nfs/dbraw/zinc/19/66/22/320196622.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196623 /nfs/dbraw/zinc/19/66/23/320196623.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 1 3 343.515 1.943 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000455446146 320303372 /nfs/dbraw/zinc/30/33/72/320303372.db2.gz VNLBPFCLLAPDMC-HRCADAONSA-N 1 3 340.512 1.467 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000495945861 320403254 /nfs/dbraw/zinc/40/32/54/320403254.db2.gz KIHGUOCKAORJLM-UHFFFAOYSA-N 1 3 340.512 1.658 20 0 EDADHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+](CCOC)C3)c2)CC1 ZINC000276436218 443704672 /nfs/dbraw/zinc/70/46/72/443704672.db2.gz QSJOVQQOKYDFEK-SFHVURJKSA-N 1 3 332.492 1.961 20 0 EDADHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+](CCOC)C3)c2)CC1 ZINC000276436218 443704673 /nfs/dbraw/zinc/70/46/73/443704673.db2.gz QSJOVQQOKYDFEK-SFHVURJKSA-N 1 3 332.492 1.961 20 0 EDADHO CN1CCN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cn2)CC1 ZINC000298237909 443727476 /nfs/dbraw/zinc/72/74/76/443727476.db2.gz BXOPELIISFECQN-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO CN1CCN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000298237909 443727480 /nfs/dbraw/zinc/72/74/80/443727480.db2.gz BXOPELIISFECQN-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO CN(C)[C@@]1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCSC1 ZINC000276553994 443744589 /nfs/dbraw/zinc/74/45/89/443744589.db2.gz FROFJLXZTXWTBT-GOSISDBHSA-N 1 3 333.501 1.542 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000288502922 443901619 /nfs/dbraw/zinc/90/16/19/443901619.db2.gz BJOSMEYXBFJRBM-INIZCTEOSA-N 1 3 335.448 1.424 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000288502922 443901624 /nfs/dbraw/zinc/90/16/24/443901624.db2.gz BJOSMEYXBFJRBM-INIZCTEOSA-N 1 3 335.448 1.424 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038560 321165456 /nfs/dbraw/zinc/16/54/56/321165456.db2.gz HBSOEEDBNMHJDC-GOSISDBHSA-N 1 3 336.524 1.251 20 0 EDADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811511 321234204 /nfs/dbraw/zinc/23/42/04/321234204.db2.gz WMFPBOIAVJKBLV-CXAGYDPISA-N 1 3 337.489 1.643 20 0 EDADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811511 321234206 /nfs/dbraw/zinc/23/42/06/321234206.db2.gz WMFPBOIAVJKBLV-CXAGYDPISA-N 1 3 337.489 1.643 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000567804646 321258806 /nfs/dbraw/zinc/25/88/06/321258806.db2.gz RODYHFCQFLMGKD-LJQANCHMSA-N 1 3 345.487 1.197 20 0 EDADHO C[C@@H](CC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000568389343 321289159 /nfs/dbraw/zinc/28/91/59/321289159.db2.gz DSPPMVGODGFKPH-YESZJQIVSA-N 1 3 325.497 1.221 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289361103 444117532 /nfs/dbraw/zinc/11/75/32/444117532.db2.gz ZGOVWBKWPZXZLR-LJQANCHMSA-N 1 3 331.460 1.843 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135913 321373767 /nfs/dbraw/zinc/37/37/67/321373767.db2.gz RMLKOGVVLWDKGA-ZWKOTPCHSA-N 1 3 338.540 1.734 20 0 EDADHO c1cc2c(cc1CN1CCN(CC3CCOCC3)CC1)C[NH2+]CC2 ZINC000571217651 321377412 /nfs/dbraw/zinc/37/74/12/321377412.db2.gz OEGFYHPQVSARAG-UHFFFAOYSA-N 1 3 329.488 1.877 20 0 EDADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccccc1-n1ccnn1 ZINC000285969149 444165651 /nfs/dbraw/zinc/16/56/51/444165651.db2.gz GZZDSLDHPMLKFM-KRWDZBQOSA-N 1 3 342.491 1.946 20 0 EDADHO Cc1ccc2[nH+]ccc(N(C)C[C@@H](O)CN3CCN(C)CC3)c2c1 ZINC000302611733 444217735 /nfs/dbraw/zinc/21/77/35/444217735.db2.gz BPWJGQKMOXCEOM-MRXNPFEDSA-N 1 3 328.460 1.588 20 0 EDADHO COCCOCc1ccc(C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000289719864 444194628 /nfs/dbraw/zinc/19/46/28/444194628.db2.gz LUXYLIXBPYGSSF-LJQANCHMSA-N 1 3 336.476 1.786 20 0 EDADHO CC[NH2+]CCCNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000576758354 321593722 /nfs/dbraw/zinc/59/37/22/321593722.db2.gz OAHBPEZMEJLSPH-UHFFFAOYSA-N 1 3 332.492 1.623 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)CCC(=O)OC)Cc1ccccc1 ZINC000289997391 444228367 /nfs/dbraw/zinc/22/83/67/444228367.db2.gz RMGPDZBJMZKDKA-DLBZAZTESA-N 1 3 349.475 1.336 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577083471 321621918 /nfs/dbraw/zinc/62/19/18/321621918.db2.gz YSAQRHVIGQOOIJ-HCXYKTFWSA-N 1 3 344.503 1.847 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303268816 444235993 /nfs/dbraw/zinc/23/59/93/444235993.db2.gz JBHXIKLMDLRQEV-CABCVRRESA-N 1 3 327.513 1.704 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000577354649 321644217 /nfs/dbraw/zinc/64/42/17/321644217.db2.gz AQCDTEHCZSCYRP-LSDHHAIUSA-N 1 3 340.512 1.563 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731160 444289809 /nfs/dbraw/zinc/28/98/09/444289809.db2.gz PDJOTNMFTHDGEU-IAGOWNOFSA-N 1 3 333.501 1.720 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731160 444289810 /nfs/dbraw/zinc/28/98/10/444289810.db2.gz PDJOTNMFTHDGEU-IAGOWNOFSA-N 1 3 333.501 1.720 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000340517310 444421982 /nfs/dbraw/zinc/42/19/82/444421982.db2.gz MZQJHDUBOBHNPX-QZTJIDSGSA-N 1 3 329.448 1.413 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000580633039 322075814 /nfs/dbraw/zinc/07/58/14/322075814.db2.gz XNIWMBYUWNZUEB-GOSISDBHSA-N 1 3 339.528 1.091 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245506 322153546 /nfs/dbraw/zinc/15/35/46/322153546.db2.gz DNQWRQGCJQSDJW-MAUKXSAKSA-N 1 3 330.476 1.677 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000343709104 444535648 /nfs/dbraw/zinc/53/56/48/444535648.db2.gz CCEAXPRAAJBMTC-SFHVURJKSA-N 1 3 335.448 1.544 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000343709104 444535652 /nfs/dbraw/zinc/53/56/52/444535652.db2.gz CCEAXPRAAJBMTC-SFHVURJKSA-N 1 3 335.448 1.544 20 0 EDADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000332594887 444520892 /nfs/dbraw/zinc/52/08/92/444520892.db2.gz GLHGDUSJTRRWRY-CVEARBPZSA-N 1 3 329.510 1.405 20 0 EDADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332594887 444520895 /nfs/dbraw/zinc/52/08/95/444520895.db2.gz GLHGDUSJTRRWRY-CVEARBPZSA-N 1 3 329.510 1.405 20 0 EDADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000332594887 444520896 /nfs/dbraw/zinc/52/08/96/444520896.db2.gz GLHGDUSJTRRWRY-CVEARBPZSA-N 1 3 329.510 1.405 20 0 EDADHO CCC[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000343851346 444627618 /nfs/dbraw/zinc/62/76/18/444627618.db2.gz OXGHPKNDTJNTNZ-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000338300620 444619427 /nfs/dbraw/zinc/61/94/27/444619427.db2.gz CPFWUCMFLMISDY-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000338300620 444619431 /nfs/dbraw/zinc/61/94/31/444619431.db2.gz CPFWUCMFLMISDY-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343875717 444640604 /nfs/dbraw/zinc/64/06/04/444640604.db2.gz NWLRAMQPZNVMJC-ZDUSSCGKSA-N 1 3 325.403 1.855 20 0 EDADHO COCC1(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)CC[NH2+]CC1 ZINC000333856371 444703410 /nfs/dbraw/zinc/70/34/10/444703410.db2.gz RAJBSDRPLGMRDQ-CVEARBPZSA-N 1 3 338.496 1.128 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341182952 444714458 /nfs/dbraw/zinc/71/44/58/444714458.db2.gz HMUIBWNRARNAPJ-GOSISDBHSA-N 1 3 334.460 1.903 20 0 EDADHO COCCCN(C)CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000341201457 444725534 /nfs/dbraw/zinc/72/55/34/444725534.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO COCCCN(C)CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000341201457 444725537 /nfs/dbraw/zinc/72/55/37/444725537.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO Cc1ccc2nc(CN(C)CCC[N@@H+](C)CCN(C)C)cc(=O)n2c1 ZINC000344039881 444744730 /nfs/dbraw/zinc/74/47/30/444744730.db2.gz UZUHHKPJNQRLHF-UHFFFAOYSA-N 1 3 345.491 1.318 20 0 EDADHO Cc1ccc2nc(CN(C)CCC[N@H+](C)CCN(C)C)cc(=O)n2c1 ZINC000344039881 444744734 /nfs/dbraw/zinc/74/47/34/444744734.db2.gz UZUHHKPJNQRLHF-UHFFFAOYSA-N 1 3 345.491 1.318 20 0 EDADHO C[C@@H]1CCC[C@@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054539 444753457 /nfs/dbraw/zinc/75/34/57/444753457.db2.gz JCUREKSRPYDARF-FGTMMUONSA-N 1 3 340.556 1.743 20 0 EDADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043637 444758052 /nfs/dbraw/zinc/75/80/52/444758052.db2.gz PGTWTVUUAXMLCJ-YESZJQIVSA-N 1 3 338.496 1.148 20 0 EDADHO CCC[N@@H+](CCC(=O)N1CCC[C@@H]1C)CCN1CCN(CC)CC1 ZINC000344133681 444799121 /nfs/dbraw/zinc/79/91/21/444799121.db2.gz QNWNYKPKQPMSHQ-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCC[N@H+](CCC(=O)N1CCC[C@@H]1C)CCN1CCN(CC)CC1 ZINC000344133681 444799124 /nfs/dbraw/zinc/79/91/24/444799124.db2.gz QNWNYKPKQPMSHQ-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C(=O)NC)cc1 ZINC000344169165 444819345 /nfs/dbraw/zinc/81/93/45/444819345.db2.gz OIAZQYZUTMNRTN-UHFFFAOYSA-N 1 3 346.519 1.896 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C(=O)NC)cc1 ZINC000344169165 444819348 /nfs/dbraw/zinc/81/93/48/444819348.db2.gz OIAZQYZUTMNRTN-UHFFFAOYSA-N 1 3 346.519 1.896 20 0 EDADHO CC(C)(C)N1CCC([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000330121580 444851947 /nfs/dbraw/zinc/85/19/47/444851947.db2.gz BOVGKCOQDGGMDE-UHFFFAOYSA-N 1 3 336.480 1.908 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342956613 444966344 /nfs/dbraw/zinc/96/63/44/444966344.db2.gz YEWJYJMTBAHLMK-OAHLLOKOSA-N 1 3 349.479 1.258 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344442454 444974850 /nfs/dbraw/zinc/97/48/50/444974850.db2.gz OKLUUYHBQZSOOZ-QGZVFWFLSA-N 1 3 347.507 1.733 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000344485447 445004520 /nfs/dbraw/zinc/00/45/20/445004520.db2.gz XXIFAYWDFOQGSA-KRWDZBQOSA-N 1 3 340.512 1.254 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](C4CC4)C3)CC2)CC1 ZINC000343127043 445082751 /nfs/dbraw/zinc/08/27/51/445082751.db2.gz UMKUTULHNWOEMR-MRXNPFEDSA-N 1 3 334.508 1.987 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000339344923 445132630 /nfs/dbraw/zinc/13/26/30/445132630.db2.gz BLBSTZRXJTZESW-GOSISDBHSA-N 1 3 332.492 1.944 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000337499430 445105784 /nfs/dbraw/zinc/10/57/84/445105784.db2.gz BIONGIMHHJXWLM-ROUUACIJSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000337499431 445106152 /nfs/dbraw/zinc/10/61/52/445106152.db2.gz BIONGIMHHJXWLM-ZWKOTPCHSA-N 1 3 344.503 1.785 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580097 445148801 /nfs/dbraw/zinc/14/88/01/445148801.db2.gz NCDWCWXVMPAYHQ-ROUUACIJSA-N 1 3 349.523 1.935 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580097 445148803 /nfs/dbraw/zinc/14/88/03/445148803.db2.gz NCDWCWXVMPAYHQ-ROUUACIJSA-N 1 3 349.523 1.935 20 0 EDADHO CNC(=O)c1ccn([C@H]2CCC[N@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000343354390 445207975 /nfs/dbraw/zinc/20/79/75/445207975.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 1 3 333.480 1.754 20 0 EDADHO CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC[C@H]3CCCCN3C)C2)n1 ZINC000343354390 445207976 /nfs/dbraw/zinc/20/79/76/445207976.db2.gz IWSUUXWAAURXTL-CVEARBPZSA-N 1 3 333.480 1.754 20 0 EDADHO COc1cccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1OC(C)C ZINC000347070147 445230487 /nfs/dbraw/zinc/23/04/87/445230487.db2.gz PQKNSZGOOPWJBR-MRXNPFEDSA-N 1 3 349.475 1.769 20 0 EDADHO CC(C)C[C@@H](N[C@@H]1CCCc2c1cnn2C)C(=O)NCC[NH+](C)C ZINC000347207870 445234321 /nfs/dbraw/zinc/23/43/21/445234321.db2.gz RYXUSGDTBHUIQE-HZPDHXFCSA-N 1 3 335.496 1.480 20 0 EDADHO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000348534262 445317390 /nfs/dbraw/zinc/31/73/90/445317390.db2.gz PIMWFFAFZPLXOL-CVEARBPZSA-N 1 3 325.522 1.993 20 0 EDADHO CCN1CCN(CCCCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000343664472 445290296 /nfs/dbraw/zinc/29/02/96/445290296.db2.gz VNWZNEOFAYPHQW-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)C[C@@H]1[NH+](C)C ZINC000359735039 445398852 /nfs/dbraw/zinc/39/88/52/445398852.db2.gz ZXTGVJMRRKIRAP-HOCLYGCPSA-N 1 3 349.479 1.114 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@H]1[NH+](C)C ZINC000362653585 445479909 /nfs/dbraw/zinc/47/99/09/445479909.db2.gz BQWCYWSXXMQYKQ-CRAIPNDOSA-N 1 3 348.491 1.719 20 0 EDADHO CCOCCN1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@@H]1CC ZINC000362568711 445444437 /nfs/dbraw/zinc/44/44/37/445444437.db2.gz LJYCCUHMCZJDHI-CABCVRRESA-N 1 3 349.479 1.060 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000359859473 445463975 /nfs/dbraw/zinc/46/39/75/445463975.db2.gz RXYBXJMQHBLLEY-UHFFFAOYSA-N 1 3 345.535 1.662 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000355923229 445531987 /nfs/dbraw/zinc/53/19/87/445531987.db2.gz OTPWAJWYHCSJJD-UHFFFAOYSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362796172 445553819 /nfs/dbraw/zinc/55/38/19/445553819.db2.gz SVDMSRYGCIDWMU-OWCLPIDISA-N 1 3 333.480 1.800 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000358531469 445637110 /nfs/dbraw/zinc/63/71/10/445637110.db2.gz SPJMXHYSOMXFEI-PVAVHDDUSA-N 1 3 333.480 1.666 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000362885748 445595693 /nfs/dbraw/zinc/59/56/93/445595693.db2.gz RRHIOOVSSIMTGJ-UHFFFAOYSA-N 1 3 335.496 1.687 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000349780462 445675895 /nfs/dbraw/zinc/67/58/95/445675895.db2.gz FARGLIPMVQZVKH-MSOLQXFVSA-N 1 3 330.476 1.649 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000349780462 445675897 /nfs/dbraw/zinc/67/58/97/445675897.db2.gz FARGLIPMVQZVKH-MSOLQXFVSA-N 1 3 330.476 1.649 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N(CCOC)CCN(C)C)CC1 ZINC000356236390 445691695 /nfs/dbraw/zinc/69/16/95/445691695.db2.gz NYFKEYLBPMSTER-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO N[C@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353734692 445731121 /nfs/dbraw/zinc/73/11/21/445731121.db2.gz HDWZJYFUYMIKAK-ZWKOPEQDSA-N 1 3 333.329 1.509 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752363 445738698 /nfs/dbraw/zinc/73/86/98/445738698.db2.gz GEQFBHPDVWLGLP-FUHWJXTLSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752363 445738703 /nfs/dbraw/zinc/73/87/03/445738703.db2.gz GEQFBHPDVWLGLP-FUHWJXTLSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000363279051 445750264 /nfs/dbraw/zinc/75/02/64/445750264.db2.gz VJWRSHPKYVVYON-HNNXBMFYSA-N 1 3 333.480 1.582 20 0 EDADHO C[C@@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000363279051 445750269 /nfs/dbraw/zinc/75/02/69/445750269.db2.gz VJWRSHPKYVVYON-HNNXBMFYSA-N 1 3 333.480 1.582 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000350024463 445751289 /nfs/dbraw/zinc/75/12/89/445751289.db2.gz AKQGXZICVHUYLB-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000350024463 445751291 /nfs/dbraw/zinc/75/12/91/445751291.db2.gz AKQGXZICVHUYLB-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863235 445818131 /nfs/dbraw/zinc/81/81/31/445818131.db2.gz VLULMCNBTLNTBM-WMLDXEAASA-N 1 3 336.455 1.010 20 0 EDADHO CN1CCN(c2ncc(CN3CCC(C[NH+](C)C)CC3)cn2)CC1 ZINC000350225418 445797006 /nfs/dbraw/zinc/79/70/06/445797006.db2.gz YMSQOGKBGBMAOG-UHFFFAOYSA-N 1 3 332.496 1.002 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000359147708 445982086 /nfs/dbraw/zinc/98/20/86/445982086.db2.gz XJTOVVZVSXIMFO-MDZRGWNJSA-N 1 3 345.487 1.395 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000583748047 326132126 /nfs/dbraw/zinc/13/21/26/326132126.db2.gz OKEZNHCEYGPORS-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000583748047 326132129 /nfs/dbraw/zinc/13/21/29/326132129.db2.gz OKEZNHCEYGPORS-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000583748047 326132133 /nfs/dbraw/zinc/13/21/33/326132133.db2.gz OKEZNHCEYGPORS-QAPCUYQASA-N 1 3 332.444 1.703 20 0 EDADHO C[C@@H]1CC2(CN1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866264 326155205 /nfs/dbraw/zinc/15/52/05/326155205.db2.gz KZQBFLDVCZQQBY-OAHLLOKOSA-N 1 3 337.489 1.429 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(COC)C3)CC2)CC1 ZINC000583943446 326170823 /nfs/dbraw/zinc/17/08/23/326170823.db2.gz KINYNQRFXUUCLE-UHFFFAOYSA-N 1 3 337.508 1.678 20 0 EDADHO CCCN(C)CC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000359262958 446097761 /nfs/dbraw/zinc/09/77/61/446097761.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 1 3 346.519 1.604 20 0 EDADHO CCCN(C)CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000359262958 446097769 /nfs/dbraw/zinc/09/77/69/446097769.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 1 3 346.519 1.604 20 0 EDADHO CSC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCN(C)CC1 ZINC000359267670 446104523 /nfs/dbraw/zinc/10/45/23/446104523.db2.gz XBMKHKJSMCDTGL-UHFFFAOYSA-N 1 3 325.522 1.804 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359288228 446123980 /nfs/dbraw/zinc/12/39/80/446123980.db2.gz KWWUAOPAGQYRML-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359288228 446123983 /nfs/dbraw/zinc/12/39/83/446123983.db2.gz KWWUAOPAGQYRML-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCCN1CCN(C2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000366320014 446148171 /nfs/dbraw/zinc/14/81/71/446148171.db2.gz DHFGZLHVIRHIHU-UHFFFAOYSA-N 1 3 338.540 1.914 20 0 EDADHO CCCN(C)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000359472974 446244453 /nfs/dbraw/zinc/24/44/53/446244453.db2.gz NGTQWHWXINCLNB-UHFFFAOYSA-N 1 3 333.476 1.601 20 0 EDADHO C[C@H](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000370326895 446231432 /nfs/dbraw/zinc/23/14/32/446231432.db2.gz QWMFDIKPUSTUGU-ZACQAIPSSA-N 1 3 338.496 1.413 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@H]1SC ZINC000362301341 446311369 /nfs/dbraw/zinc/31/13/69/446311369.db2.gz ZIDXAZZBEOONHA-XLNGHYISSA-N 1 3 328.522 1.986 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccco1 ZINC000370577468 446339565 /nfs/dbraw/zinc/33/95/65/446339565.db2.gz HCYPFTKCVSZDPF-OWCLPIDISA-N 1 3 335.448 1.488 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCNC(=O)c1ccco1 ZINC000370577468 446339571 /nfs/dbraw/zinc/33/95/71/446339571.db2.gz HCYPFTKCVSZDPF-OWCLPIDISA-N 1 3 335.448 1.488 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332381 446345154 /nfs/dbraw/zinc/34/51/54/446345154.db2.gz QYSPRWNSQAQSPT-LVQVYYBASA-N 1 3 326.485 1.255 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417506317 446357545 /nfs/dbraw/zinc/35/75/45/446357545.db2.gz LSCQQAQPYDFLFQ-KRWDZBQOSA-N 1 3 346.475 1.195 20 0 EDADHO C[N@H+](CCNC(=O)NCCCNCc1cccnc1)C1CCCC1 ZINC000417511164 446357897 /nfs/dbraw/zinc/35/78/97/446357897.db2.gz VLFORABHNAZMSU-UHFFFAOYSA-N 1 3 333.480 1.735 20 0 EDADHO C[N@@H+](CCNC(=O)NCCCNCc1cccnc1)C1CCCC1 ZINC000417511164 446357903 /nfs/dbraw/zinc/35/79/03/446357903.db2.gz VLFORABHNAZMSU-UHFFFAOYSA-N 1 3 333.480 1.735 20 0 EDADHO CCCN(C(=O)NC[C@@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759238 446371568 /nfs/dbraw/zinc/37/15/68/446371568.db2.gz WBPXORNFHOCVAI-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C[C@@H]1C[NH3+] ZINC000417369400 446349361 /nfs/dbraw/zinc/34/93/61/446349361.db2.gz SBXNBBPXULCKLA-WBVHZDCISA-N 1 3 348.491 1.753 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000420257834 446435936 /nfs/dbraw/zinc/43/59/36/446435936.db2.gz XAILBTONLDYDRQ-KRWDZBQOSA-N 1 3 333.484 1.516 20 0 EDADHO COc1ccc([C@H](N[C@@H]2CCCN(CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147753 446440424 /nfs/dbraw/zinc/44/04/24/446440424.db2.gz SSBXDLGRBJOOSD-RLLQIKCJSA-N 1 3 347.503 1.925 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418004009 446412392 /nfs/dbraw/zinc/41/23/92/446412392.db2.gz ZIATVGRIEKRCRX-QAPCUYQASA-N 1 3 346.475 1.052 20 0 EDADHO CCc1ccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)N(C)C)cc1 ZINC000423313224 446484549 /nfs/dbraw/zinc/48/45/49/446484549.db2.gz WLZDNLQJZRVTSN-KRWDZBQOSA-N 1 3 344.463 1.222 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423321550 446487246 /nfs/dbraw/zinc/48/72/46/446487246.db2.gz GKMYIHWAPAIXQG-GJZGRUSLSA-N 1 3 333.480 1.491 20 0 EDADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324809 446490911 /nfs/dbraw/zinc/49/09/11/446490911.db2.gz HPUWJQIRHHUYOY-SPUZQDLCSA-N 1 3 337.508 1.994 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418344124 446509267 /nfs/dbraw/zinc/50/92/67/446509267.db2.gz FZHHCUNROJKJTG-GJZGRUSLSA-N 1 3 326.485 1.256 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341451 446513344 /nfs/dbraw/zinc/51/33/44/446513344.db2.gz OOFAKUGFVCFRFT-ROUUACIJSA-N 1 3 345.487 1.675 20 0 EDADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329378 446499218 /nfs/dbraw/zinc/49/92/18/446499218.db2.gz GNPVBBJYQMFMLO-SOUVJXGZSA-N 1 3 345.443 1.716 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000418398205 446528961 /nfs/dbraw/zinc/52/89/61/446528961.db2.gz KLHXMSDTULCBJS-CKEIUWERSA-N 1 3 338.496 1.255 20 0 EDADHO CCOC(=O)CC1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420366367 446546094 /nfs/dbraw/zinc/54/60/94/446546094.db2.gz UFBMUFMARWCHDJ-ROUUACIJSA-N 1 3 334.460 1.583 20 0 EDADHO O=C1N[C@@H]2CN(CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397212 446572114 /nfs/dbraw/zinc/57/21/14/446572114.db2.gz FGVJIHWHCQJNMA-QZTJIDSGSA-N 1 3 328.460 1.449 20 0 EDADHO C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418529364 446581534 /nfs/dbraw/zinc/58/15/34/446581534.db2.gz TXLSHLNHTNROOI-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418536775 446584436 /nfs/dbraw/zinc/58/44/36/446584436.db2.gz CFXJXPOJBKQPHA-PMPSAXMXSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418698544 446652985 /nfs/dbraw/zinc/65/29/85/446652985.db2.gz NBWUTFPIFHQPOU-ZOBUZTSGSA-N 1 3 333.480 1.813 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632677 446623476 /nfs/dbraw/zinc/62/34/76/446623476.db2.gz WCWJKDKHXYFERJ-WBVHZDCISA-N 1 3 333.480 1.685 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423844496 446727638 /nfs/dbraw/zinc/72/76/38/446727638.db2.gz NHOSVRWMDQUXOS-HNNXBMFYSA-N 1 3 344.463 1.267 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000423754978 446684222 /nfs/dbraw/zinc/68/42/22/446684222.db2.gz ZZUATWCXFAZECF-CQSZACIVSA-N 1 3 329.391 1.219 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423965230 446799635 /nfs/dbraw/zinc/79/96/35/446799635.db2.gz XYVAXWBWJHZYKL-QGZVFWFLSA-N 1 3 332.492 1.932 20 0 EDADHO CN1CCN([C@H]2CCCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC000376829936 446741949 /nfs/dbraw/zinc/74/19/49/446741949.db2.gz AVUJOXGSKFKZJJ-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)Cc1ccccc1 ZINC000418941481 446814899 /nfs/dbraw/zinc/81/48/99/446814899.db2.gz IDVVTZOFEPOPRT-OIISXLGYSA-N 1 3 346.475 1.009 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000368401950 446839755 /nfs/dbraw/zinc/83/97/55/446839755.db2.gz HQBURXCSHFZESM-HUUCEWRRSA-N 1 3 349.523 1.916 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1CN ZINC000419021182 446871556 /nfs/dbraw/zinc/87/15/56/446871556.db2.gz SRRJPDGBIYFYIM-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539991 446906774 /nfs/dbraw/zinc/90/67/74/446906774.db2.gz JKJXCMLRZYUUQW-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000419115240 446933669 /nfs/dbraw/zinc/93/36/69/446933669.db2.gz SSYCKMYYBHOXEK-WBVHZDCISA-N 1 3 348.491 1.113 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419147671 446963398 /nfs/dbraw/zinc/96/33/98/446963398.db2.gz CEWYGQPFSDKSMG-ARFHVFGLSA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419161429 446977526 /nfs/dbraw/zinc/97/75/26/446977526.db2.gz ISYPTQAQSZKMGR-MRXNPFEDSA-N 1 3 348.491 1.113 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC000442880343 446988790 /nfs/dbraw/zinc/98/87/90/446988790.db2.gz YKHXRFANNYGJBS-YESZJQIVSA-N 1 3 339.524 1.970 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990838 /nfs/dbraw/zinc/99/08/38/446990838.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CC(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000421018008 446990845 /nfs/dbraw/zinc/99/08/45/446990845.db2.gz WBJFLNRMJAOVEH-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955747 447173270 /nfs/dbraw/zinc/17/32/70/447173270.db2.gz YYRRGODWFROJIY-FRQCXROJSA-N 1 3 331.460 1.522 20 0 EDADHO CC[C@H](C(=O)N1[C@H](C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000413721467 447228756 /nfs/dbraw/zinc/22/87/56/447228756.db2.gz JNGQFVVEHHPKDZ-XUWVNRHRSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1[C@H](C)CN(C(=O)[C@H](CC)N(C)C)C[C@@H]1C)[NH+](C)C ZINC000413721467 447228763 /nfs/dbraw/zinc/22/87/63/447228763.db2.gz JNGQFVVEHHPKDZ-XUWVNRHRSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C)[NH+](C)C ZINC000413771129 447238494 /nfs/dbraw/zinc/23/84/94/447238494.db2.gz NWMNUAIDNIGZGP-ILXRZTDVSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000413771129 447238497 /nfs/dbraw/zinc/23/84/97/447238497.db2.gz NWMNUAIDNIGZGP-ILXRZTDVSA-N 1 3 342.528 1.314 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647497 447453956 /nfs/dbraw/zinc/45/39/56/447453956.db2.gz KIGSTHPHEBPZCS-HOJAQTOUSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647497 447453962 /nfs/dbraw/zinc/45/39/62/447453962.db2.gz KIGSTHPHEBPZCS-HOJAQTOUSA-N 1 3 347.503 1.322 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000458719841 447461153 /nfs/dbraw/zinc/46/11/53/447461153.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 1 3 339.528 1.137 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000458719841 447461158 /nfs/dbraw/zinc/46/11/58/447461158.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 1 3 339.528 1.137 20 0 EDADHO COC1(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000388451760 447479150 /nfs/dbraw/zinc/47/91/50/447479150.db2.gz GHVCUICHEKSXEH-SFHVURJKSA-N 1 3 345.487 1.878 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390879763 447504834 /nfs/dbraw/zinc/50/48/34/447504834.db2.gz USYMPXNGLKOTCK-NJAFHUGGSA-N 1 3 333.476 1.767 20 0 EDADHO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000415625466 447512504 /nfs/dbraw/zinc/51/25/04/447512504.db2.gz PTBFLIYCQCMYGE-QGZVFWFLSA-N 1 3 336.484 2.035 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305193 447578495 /nfs/dbraw/zinc/57/84/95/447578495.db2.gz RBZHNJPARCEPKS-HOCLYGCPSA-N 1 3 344.459 1.322 20 0 EDADHO CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC1CC[NH+](C)CC1 ZINC000394395376 447536567 /nfs/dbraw/zinc/53/65/67/447536567.db2.gz AHTOAOLMZSKXMM-OAHLLOKOSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540745 /nfs/dbraw/zinc/54/07/45/447540745.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 1 3 345.487 1.350 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540753 /nfs/dbraw/zinc/54/07/53/447540753.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 1 3 345.487 1.350 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000420082764 447590398 /nfs/dbraw/zinc/59/03/98/447590398.db2.gz REEIHLCGGMTVIO-HNNXBMFYSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000398192200 447555632 /nfs/dbraw/zinc/55/56/32/447555632.db2.gz ZULCNDDGHVFCLA-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000398192200 447555641 /nfs/dbraw/zinc/55/56/41/447555641.db2.gz ZULCNDDGHVFCLA-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000459153679 447597841 /nfs/dbraw/zinc/59/78/41/447597841.db2.gz JIROHQXBYAWRCK-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000459153679 447597847 /nfs/dbraw/zinc/59/78/47/447597847.db2.gz JIROHQXBYAWRCK-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000420105874 447605260 /nfs/dbraw/zinc/60/52/60/447605260.db2.gz VHUSWWXZBKTSAX-HNNXBMFYSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000416838085 447694911 /nfs/dbraw/zinc/69/49/11/447694911.db2.gz ISNBHKKMNAMUJZ-KBAYOESNSA-N 1 3 330.476 1.887 20 0 EDADHO O=C(NC[C@H]1CCCCN1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870339 447655723 /nfs/dbraw/zinc/65/57/23/447655723.db2.gz ZGRNRVCZNBYCRW-QGZVFWFLSA-N 1 3 338.496 1.007 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634401 447680812 /nfs/dbraw/zinc/68/08/12/447680812.db2.gz JOKLVJDGTVIWLL-IPYPFGDCSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1CN ZINC000422634401 447680815 /nfs/dbraw/zinc/68/08/15/447680815.db2.gz JOKLVJDGTVIWLL-IPYPFGDCSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1CN ZINC000422634401 447680818 /nfs/dbraw/zinc/68/08/18/447680818.db2.gz JOKLVJDGTVIWLL-IPYPFGDCSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000422754138 447739875 /nfs/dbraw/zinc/73/98/75/447739875.db2.gz ACHJRJIOLSPPIZ-SXLOBPIMSA-N 1 3 346.519 1.146 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cn1ccnn1 ZINC000459695438 447742387 /nfs/dbraw/zinc/74/23/87/447742387.db2.gz KRCCFYNUYTZDGF-AKHDSKFASA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cn1ccnn1 ZINC000459695438 447742395 /nfs/dbraw/zinc/74/23/95/447742395.db2.gz KRCCFYNUYTZDGF-AKHDSKFASA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cn1ccnn1 ZINC000459695438 447742398 /nfs/dbraw/zinc/74/23/98/447742398.db2.gz KRCCFYNUYTZDGF-AKHDSKFASA-N 1 3 341.459 1.139 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429407414 447746302 /nfs/dbraw/zinc/74/63/02/447746302.db2.gz ZDAJWHPAYDSVMT-INIZCTEOSA-N 1 3 336.524 1.393 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429407414 447746305 /nfs/dbraw/zinc/74/63/05/447746305.db2.gz ZDAJWHPAYDSVMT-INIZCTEOSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792111 447751452 /nfs/dbraw/zinc/75/14/52/447751452.db2.gz QOWNDCLZBASGMJ-KKXDTOCCSA-N 1 3 332.423 1.896 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792111 447751455 /nfs/dbraw/zinc/75/14/55/447751455.db2.gz QOWNDCLZBASGMJ-KKXDTOCCSA-N 1 3 332.423 1.896 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C1CCCC1 ZINC000458330608 447770276 /nfs/dbraw/zinc/77/02/76/447770276.db2.gz FOOWLVSJUIDYCT-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCN1CCCO)C1CCCC1 ZINC000458330608 447770280 /nfs/dbraw/zinc/77/02/80/447770280.db2.gz FOOWLVSJUIDYCT-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C1CCCC1 ZINC000458330607 447770636 /nfs/dbraw/zinc/77/06/36/447770636.db2.gz FOOWLVSJUIDYCT-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C1CCCC1 ZINC000458330607 447770639 /nfs/dbraw/zinc/77/06/39/447770639.db2.gz FOOWLVSJUIDYCT-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564154 447779823 /nfs/dbraw/zinc/77/98/23/447779823.db2.gz AUFUUEZFZIFEPM-KRWDZBQOSA-N 1 3 347.507 1.426 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422964459 447783125 /nfs/dbraw/zinc/78/31/25/447783125.db2.gz LSNZPIOPRDNJPN-GDBMZVCRSA-N 1 3 331.526 1.557 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000430791632 447785967 /nfs/dbraw/zinc/78/59/67/447785967.db2.gz NWXNUMDENKGXPA-KRWDZBQOSA-N 1 3 349.450 1.927 20 0 EDADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977987 447786056 /nfs/dbraw/zinc/78/60/56/447786056.db2.gz YEVPFNRQINQEBG-SUMDDJOVSA-N 1 3 332.444 1.619 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985538 447787446 /nfs/dbraw/zinc/78/74/46/447787446.db2.gz FFFLQKOMOLIPMT-BBRMVZONSA-N 1 3 338.423 1.770 20 0 EDADHO CN(CC[NH2+][C@@H]1CCCCC[C@H]1N)S(=O)(=O)c1ccc(F)cc1 ZINC000423105269 447806199 /nfs/dbraw/zinc/80/61/99/447806199.db2.gz YVCQMIXECGGWEO-HZPDHXFCSA-N 1 3 343.468 1.696 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849602 /nfs/dbraw/zinc/84/96/02/447849602.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849603 /nfs/dbraw/zinc/84/96/03/447849603.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CC[C@@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496700889 447851605 /nfs/dbraw/zinc/85/16/05/447851605.db2.gz LPOAOIDSHHIAFP-RBSFLKMASA-N 1 3 329.485 1.677 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000530353668 447867648 /nfs/dbraw/zinc/86/76/48/447867648.db2.gz QEWGBMMMUBSPAM-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000530353668 447867650 /nfs/dbraw/zinc/86/76/50/447867650.db2.gz QEWGBMMMUBSPAM-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnn(C)c3)CC2)CC1 ZINC000570173337 447958338 /nfs/dbraw/zinc/95/83/38/447958338.db2.gz GRLJBDOVGCYWBA-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570382554 447997837 /nfs/dbraw/zinc/99/78/37/447997837.db2.gz PAWKPXRSRAXVEA-QAPCUYQASA-N 1 3 328.460 1.868 20 0 EDADHO CN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496887384 448003389 /nfs/dbraw/zinc/00/33/89/448003389.db2.gz XLUGVGZWYWMWEL-UHFFFAOYSA-N 1 3 327.473 1.499 20 0 EDADHO CC(C)[C@H](N)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497283130 448036936 /nfs/dbraw/zinc/03/69/36/448036936.db2.gz MRDVTZMBWQEUJU-JQHSSLGASA-N 1 3 349.475 1.985 20 0 EDADHO C[C@H](C[NH3+])CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289956 448044229 /nfs/dbraw/zinc/04/42/29/448044229.db2.gz QSOACUMONCCAJG-BFYDXBDKSA-N 1 3 335.448 1.597 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101861 /nfs/dbraw/zinc/10/18/61/448101861.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101866 /nfs/dbraw/zinc/10/18/66/448101866.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 1 3 349.519 1.963 20 0 EDADHO c1cc2c(cc1CN1CCN(CC3CC[NH2+]CC3)CC1)OCCO2 ZINC000576638770 448102960 /nfs/dbraw/zinc/10/29/60/448102960.db2.gz BMZMRJPHDRJMSL-UHFFFAOYSA-N 1 3 331.460 1.575 20 0 EDADHO CCN1CCCN(c2cc(N3CCC[N@H+](CC)CC3)nc(C)n2)CC1 ZINC000531679882 448128326 /nfs/dbraw/zinc/12/83/26/448128326.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 1 3 346.523 1.849 20 0 EDADHO CCN1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)nc(C)n2)CC1 ZINC000531679882 448128327 /nfs/dbraw/zinc/12/83/27/448128327.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 1 3 346.523 1.849 20 0 EDADHO Cc1cc(NC(=O)CCNCc2ccc(CC[NH+](C)C)cc2)no1 ZINC000576747030 448130035 /nfs/dbraw/zinc/13/00/35/448130035.db2.gz OEFTXRHMLAXUPW-UHFFFAOYSA-N 1 3 330.432 2.206 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739493 448198030 /nfs/dbraw/zinc/19/80/30/448198030.db2.gz QZXPSVBLMQIXPU-MSOLQXFVSA-N 1 3 330.476 1.434 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056822 448251272 /nfs/dbraw/zinc/25/12/72/448251272.db2.gz KJXUCARNSFNVHO-HZPDHXFCSA-N 1 3 328.501 1.421 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056822 448251280 /nfs/dbraw/zinc/25/12/80/448251280.db2.gz KJXUCARNSFNVHO-HZPDHXFCSA-N 1 3 328.501 1.421 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000577269287 448251486 /nfs/dbraw/zinc/25/14/86/448251486.db2.gz PTDYRBLTRUJQBK-JKSUJKDBSA-N 1 3 338.496 1.258 20 0 EDADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC1 ZINC000515223416 448277944 /nfs/dbraw/zinc/27/79/44/448277944.db2.gz NQZWRBHOVRBRTI-QGZVFWFLSA-N 1 3 346.475 1.458 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000532463494 448262766 /nfs/dbraw/zinc/26/27/66/448262766.db2.gz FTMMNOYUBLGDDY-NVXWUHKLSA-N 1 3 325.460 2.485 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000532463494 448262774 /nfs/dbraw/zinc/26/27/74/448262774.db2.gz FTMMNOYUBLGDDY-NVXWUHKLSA-N 1 3 325.460 2.485 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000572176506 448308438 /nfs/dbraw/zinc/30/84/38/448308438.db2.gz CEFDRTIOEHFZMP-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386364 448285435 /nfs/dbraw/zinc/28/54/35/448285435.db2.gz PRQJEGIWXIOGLL-ZBFHGGJFSA-N 1 3 325.522 1.662 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1ccn(C)c1 ZINC000493125039 448371531 /nfs/dbraw/zinc/37/15/31/448371531.db2.gz XBROUTKPVBULKA-GIFJBRJJSA-N 1 3 332.492 1.913 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1ccn(C)c1 ZINC000493125039 448371537 /nfs/dbraw/zinc/37/15/37/448371537.db2.gz XBROUTKPVBULKA-GIFJBRJJSA-N 1 3 332.492 1.913 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000515867922 448361400 /nfs/dbraw/zinc/36/14/00/448361400.db2.gz ULEARPPMRLTYAH-HNNXBMFYSA-N 1 3 325.522 1.854 20 0 EDADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000572615233 448424375 /nfs/dbraw/zinc/42/43/75/448424375.db2.gz UXGFWJIKLOJHEU-DLBZAZTESA-N 1 3 337.533 1.901 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000516514859 448431610 /nfs/dbraw/zinc/43/16/10/448431610.db2.gz FGCDBYCBKYSBRQ-KVSKMBFKSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000516514859 448431615 /nfs/dbraw/zinc/43/16/15/448431615.db2.gz FGCDBYCBKYSBRQ-KVSKMBFKSA-N 1 3 349.523 1.190 20 0 EDADHO O[C@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551903 /nfs/dbraw/zinc/55/19/03/448551903.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 1 3 330.472 1.716 20 0 EDADHO O[C@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551907 /nfs/dbraw/zinc/55/19/07/448551907.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 1 3 330.472 1.716 20 0 EDADHO N[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1ccccc1F ZINC000578890526 448663980 /nfs/dbraw/zinc/66/39/80/448663980.db2.gz QQFYHHPHIMGYPO-OSAQELSMSA-N 1 3 343.406 1.193 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000573746954 448703906 /nfs/dbraw/zinc/70/39/06/448703906.db2.gz XRIRQMGRCAZQTI-HNNXBMFYSA-N 1 3 347.463 1.264 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000573746954 448703912 /nfs/dbraw/zinc/70/39/12/448703912.db2.gz XRIRQMGRCAZQTI-HNNXBMFYSA-N 1 3 347.463 1.264 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000579149763 448728698 /nfs/dbraw/zinc/72/86/98/448728698.db2.gz KROYFCWYVYYLKY-WBVHZDCISA-N 1 3 325.497 1.602 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000574071136 448784848 /nfs/dbraw/zinc/78/48/48/448784848.db2.gz CQYMOSBPRLMIRE-MAUKXSAKSA-N 1 3 328.497 1.786 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1C ZINC000529314611 448818388 /nfs/dbraw/zinc/81/83/88/448818388.db2.gz VRNYORGCMPWBGL-PVAVHDDUSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CNCCCO1 ZINC000568486956 448877836 /nfs/dbraw/zinc/87/78/36/448877836.db2.gz OAKFFWLDLPOAEZ-KBPBESRZSA-N 1 3 331.416 1.029 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000568486956 448877840 /nfs/dbraw/zinc/87/78/40/448877840.db2.gz OAKFFWLDLPOAEZ-KBPBESRZSA-N 1 3 331.416 1.029 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558580 448900740 /nfs/dbraw/zinc/90/07/40/448900740.db2.gz BYODQBCVPQUGBA-ZBFHGGJFSA-N 1 3 339.480 1.251 20 0 EDADHO CC1CCC(N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)CC1 ZINC000569100421 448961629 /nfs/dbraw/zinc/96/16/29/448961629.db2.gz IBHCPWINPIAIHK-UHFFFAOYSA-N 1 3 337.508 1.996 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000574861119 448972097 /nfs/dbraw/zinc/97/20/97/448972097.db2.gz NJIXCBMRQSEQGE-IAGOWNOFSA-N 1 3 334.464 1.275 20 0 EDADHO COC(=O)C12CC(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)(C1)C2 ZINC000592758327 448972985 /nfs/dbraw/zinc/97/29/85/448972985.db2.gz WRQIVQDZBURPLU-UHFFFAOYSA-N 1 3 349.475 1.005 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000592759614 448973737 /nfs/dbraw/zinc/97/37/37/448973737.db2.gz TWUFAQWFTSYRLA-ZIAGYGMSSA-N 1 3 327.469 1.059 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000592759614 448973738 /nfs/dbraw/zinc/97/37/38/448973738.db2.gz TWUFAQWFTSYRLA-ZIAGYGMSSA-N 1 3 327.469 1.059 20 0 EDADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172896 449053792 /nfs/dbraw/zinc/05/37/92/449053792.db2.gz SNDNNAOHNMKUQP-MANSERQUSA-N 1 3 337.508 1.111 20 0 EDADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172896 449053798 /nfs/dbraw/zinc/05/37/98/449053798.db2.gz SNDNNAOHNMKUQP-MANSERQUSA-N 1 3 337.508 1.111 20 0 EDADHO C[C@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730818 449165626 /nfs/dbraw/zinc/16/56/26/449165626.db2.gz HNMQTOAQGAZGGH-DOTOQJQBSA-N 1 3 346.475 1.852 20 0 EDADHO C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CCN ZINC000593730818 449165633 /nfs/dbraw/zinc/16/56/33/449165633.db2.gz HNMQTOAQGAZGGH-DOTOQJQBSA-N 1 3 346.475 1.852 20 0 EDADHO C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CCN ZINC000593730818 449165635 /nfs/dbraw/zinc/16/56/35/449165635.db2.gz HNMQTOAQGAZGGH-DOTOQJQBSA-N 1 3 346.475 1.852 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000595930483 449260819 /nfs/dbraw/zinc/26/08/19/449260819.db2.gz RQVOLEAHNQWWKR-ROUUACIJSA-N 1 3 338.540 1.624 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(C(=O)OC)co2)CC1 ZINC000596108734 449365872 /nfs/dbraw/zinc/36/58/72/449365872.db2.gz WYZFLLVCYSAWPD-UHFFFAOYSA-N 1 3 337.420 1.146 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1C ZINC000600683142 449491197 /nfs/dbraw/zinc/49/11/97/449491197.db2.gz SIHCVGLOMSEHLI-BFJAYTPKSA-N 1 3 335.452 1.270 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617504635 449650966 /nfs/dbraw/zinc/65/09/66/449650966.db2.gz CMOJAMAAYIQMKR-GOEBONIOSA-N 1 3 346.475 1.501 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1c2ccccc2NC1=O ZINC000617504635 449650973 /nfs/dbraw/zinc/65/09/73/449650973.db2.gz CMOJAMAAYIQMKR-GOEBONIOSA-N 1 3 346.475 1.501 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000617503975 449646375 /nfs/dbraw/zinc/64/63/75/449646375.db2.gz CRAXGBPFPSUXSI-HNNXBMFYSA-N 1 3 346.479 1.213 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1-n1cccc1 ZINC000617503975 449646381 /nfs/dbraw/zinc/64/63/81/449646381.db2.gz CRAXGBPFPSUXSI-HNNXBMFYSA-N 1 3 346.479 1.213 20 0 EDADHO CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N(CC)CC ZINC000617700341 449744799 /nfs/dbraw/zinc/74/47/99/449744799.db2.gz CGLGBSHLEGWYPY-RTBURBONSA-N 1 3 347.503 1.990 20 0 EDADHO CC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N(CC)CC ZINC000617700341 449744801 /nfs/dbraw/zinc/74/48/01/449744801.db2.gz CGLGBSHLEGWYPY-RTBURBONSA-N 1 3 347.503 1.990 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000594924564 449808680 /nfs/dbraw/zinc/80/86/80/449808680.db2.gz JJECSRYPEQHSMJ-CGTJXYLNSA-N 1 3 346.475 1.381 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000617767285 449830455 /nfs/dbraw/zinc/83/04/55/449830455.db2.gz NKNGBMJVLPUXLV-UHFFFAOYSA-N 1 3 346.519 1.896 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000601281775 449795246 /nfs/dbraw/zinc/79/52/46/449795246.db2.gz GGVDJURMADYDNR-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000608692369 449910887 /nfs/dbraw/zinc/91/08/87/449910887.db2.gz JHLMKIHVTNVOOX-IAGOWNOFSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692369 449910889 /nfs/dbraw/zinc/91/08/89/449910889.db2.gz JHLMKIHVTNVOOX-IAGOWNOFSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@]1(NC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000612870916 449920284 /nfs/dbraw/zinc/92/02/84/449920284.db2.gz JODNYQZLCFVCNK-HNNXBMFYSA-N 1 3 326.510 1.399 20 0 EDADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000615309055 450056747 /nfs/dbraw/zinc/05/67/47/450056747.db2.gz PJILHKKDAMHOCQ-SUMDDJOVSA-N 1 3 331.460 1.174 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000619899104 450366782 /nfs/dbraw/zinc/36/67/82/450366782.db2.gz LDBFWVFTGNUSLB-SFHVURJKSA-N 1 3 344.503 1.799 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000619899104 450366787 /nfs/dbraw/zinc/36/67/87/450366787.db2.gz LDBFWVFTGNUSLB-SFHVURJKSA-N 1 3 344.503 1.799 20 0 EDADHO COCC1(CNC(=O)Nc2cccc(CN(C)C)c2)CC[NH2+]CC1 ZINC000623069923 450390019 /nfs/dbraw/zinc/39/00/19/450390019.db2.gz SVPKVPFTSLCWAH-UHFFFAOYSA-N 1 3 334.464 1.886 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)NCCCN2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000625715175 450486457 /nfs/dbraw/zinc/48/64/57/450486457.db2.gz FXRGMFPZDOPEQS-MOPGFXCFSA-N 1 3 345.487 1.295 20 0 EDADHO C[N@H+]1C[C@H](C(=O)NCCCN2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000625715175 450486459 /nfs/dbraw/zinc/48/64/59/450486459.db2.gz FXRGMFPZDOPEQS-MOPGFXCFSA-N 1 3 345.487 1.295 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000623621263 450553797 /nfs/dbraw/zinc/55/37/97/450553797.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000623621263 450553800 /nfs/dbraw/zinc/55/38/00/450553800.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCCN2C2CCCC2)CCO1 ZINC000620971386 450567554 /nfs/dbraw/zinc/56/75/54/450567554.db2.gz HYJRDNVHNWEGNS-ROUUACIJSA-N 1 3 337.508 1.963 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633029679 450625365 /nfs/dbraw/zinc/62/53/65/450625365.db2.gz WKTCSUYGYUTGGL-HOTGVXAUSA-N 1 3 330.432 1.040 20 0 EDADHO C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984330 450660899 /nfs/dbraw/zinc/66/08/99/450660899.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 1 3 327.436 1.186 20 0 EDADHO C[C@@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984330 450660907 /nfs/dbraw/zinc/66/09/07/450660907.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 1 3 327.436 1.186 20 0 EDADHO CC(C)[NH+]1CCC(N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624113885 450710023 /nfs/dbraw/zinc/71/00/23/450710023.db2.gz OYAIOJVMZOJZBF-HNNXBMFYSA-N 1 3 329.452 1.165 20 0 EDADHO CN(CCOCC[NH3+])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835279 450803892 /nfs/dbraw/zinc/80/38/92/450803892.db2.gz QDRWMWDDQHBJDQ-ZDUSSCGKSA-N 1 3 337.247 1.640 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700001 450857836 /nfs/dbraw/zinc/85/78/36/450857836.db2.gz CBFIKWZRUMFCOV-ZDUSSCGKSA-N 1 3 338.456 1.298 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700001 450857839 /nfs/dbraw/zinc/85/78/39/450857839.db2.gz CBFIKWZRUMFCOV-ZDUSSCGKSA-N 1 3 338.456 1.298 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000631997153 450953838 /nfs/dbraw/zinc/95/38/38/450953838.db2.gz SLWOBCBNFBTDET-QGZVFWFLSA-N 1 3 343.537 1.752 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(F)cc3C(N)=O)CC2)CC[NH2+]1 ZINC000622004998 450982988 /nfs/dbraw/zinc/98/29/88/450982988.db2.gz XMAWGNLUKJVEAM-ZIAGYGMSSA-N 1 3 334.439 1.435 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCOCC1 ZINC000626934268 451016485 /nfs/dbraw/zinc/01/64/85/451016485.db2.gz CZTRYMLDMYKDFD-KRWDZBQOSA-N 1 3 346.475 1.631 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626939933 451021708 /nfs/dbraw/zinc/02/17/08/451021708.db2.gz PNPXNATWBZUSTJ-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993703 451059296 /nfs/dbraw/zinc/05/92/96/451059296.db2.gz KYMAZTCFMNAZLV-WMZOPIPTSA-N 1 3 348.491 1.514 20 0 EDADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH3+])CCOCC1)N(C)C ZINC000627033614 451092732 /nfs/dbraw/zinc/09/27/32/451092732.db2.gz ORJYLZVPFHQFBP-DOTOQJQBSA-N 1 3 348.491 1.793 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N(C)CCOCC[NH3+])CCN1Cc1ccccc1 ZINC000627039279 451096170 /nfs/dbraw/zinc/09/61/70/451096170.db2.gz ULKJRWMCZGZFJP-NVXWUHKLSA-N 1 3 334.464 1.266 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000627166855 451159965 /nfs/dbraw/zinc/15/99/65/451159965.db2.gz OVPQJUQHRBIFSC-SCTDSRPQSA-N 1 3 346.475 1.063 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000627173323 451163590 /nfs/dbraw/zinc/16/35/90/451163590.db2.gz UNOUFAJNUWGLQG-OAHLLOKOSA-N 1 3 342.871 1.478 20 0 EDADHO CN(C(=O)NCCOCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627216201 451192201 /nfs/dbraw/zinc/19/22/01/451192201.db2.gz SMESFNRRCQMMNX-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111256 451279909 /nfs/dbraw/zinc/27/99/09/451279909.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 1 3 346.519 1.540 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111256 451279913 /nfs/dbraw/zinc/27/99/13/451279913.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 1 3 346.519 1.540 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638129580 451300439 /nfs/dbraw/zinc/30/04/39/451300439.db2.gz BWWFCGYTGJKIEC-FXAWDEMLSA-N 1 3 345.487 1.865 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136512 451308592 /nfs/dbraw/zinc/30/85/92/451308592.db2.gz HVSLABOCNJNAMH-GOSISDBHSA-N 1 3 328.460 1.098 20 0 EDADHO CC[N@H+](CCCNS(=O)(=O)CCCN(C)C)C1CCCCC1 ZINC000632508633 451354588 /nfs/dbraw/zinc/35/45/88/451354588.db2.gz JRFFZJQSVUKOIC-UHFFFAOYSA-N 1 3 333.542 1.902 20 0 EDADHO CC[N@@H+](CCCNS(=O)(=O)CCCN(C)C)C1CCCCC1 ZINC000632508633 451354593 /nfs/dbraw/zinc/35/45/93/451354593.db2.gz JRFFZJQSVUKOIC-UHFFFAOYSA-N 1 3 333.542 1.902 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000638326087 451434494 /nfs/dbraw/zinc/43/44/94/451434494.db2.gz JECPYFZJPIVGGK-UHFFFAOYSA-N 1 3 331.504 1.870 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCN2CCc3ccccc3C2)CC1 ZINC000638326087 451434501 /nfs/dbraw/zinc/43/45/01/451434501.db2.gz JECPYFZJPIVGGK-UHFFFAOYSA-N 1 3 331.504 1.870 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638363990 451462011 /nfs/dbraw/zinc/46/20/11/451462011.db2.gz UXOIENKEMPQWNO-CYBMUJFWSA-N 1 3 328.407 1.359 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638375312 451471526 /nfs/dbraw/zinc/47/15/26/451471526.db2.gz XFQHVSXTKPLSHI-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO CC1([NH+]2CCCC2)CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000632639358 451479847 /nfs/dbraw/zinc/47/98/47/451479847.db2.gz WTJYJCHFALFTHV-UHFFFAOYSA-N 1 3 343.537 1.752 20 0 EDADHO C[C@](O)(C[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000634708371 451486387 /nfs/dbraw/zinc/48/63/87/451486387.db2.gz TVQGBIGSKFEXGQ-RDGPPVDQSA-N 1 3 340.508 1.256 20 0 EDADHO C[C@](O)(C[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000634709550 451487785 /nfs/dbraw/zinc/48/77/85/451487785.db2.gz KUDSFDXVXFNFCB-OALUTQOASA-N 1 3 333.476 1.800 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCC3([NH3+])CCCC3)ccc2[nH]c1=O ZINC000638408776 451495753 /nfs/dbraw/zinc/49/57/53/451495753.db2.gz DUVNQXFYIPDACL-UHFFFAOYSA-N 1 3 345.447 1.305 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000638526749 451558420 /nfs/dbraw/zinc/55/84/20/451558420.db2.gz PAPYCQBJTCLTBV-AWEZNQCLSA-N 1 3 332.448 1.306 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638672513 451643661 /nfs/dbraw/zinc/64/36/61/451643661.db2.gz UTUKVOOGPITXOX-NSHDSACASA-N 1 3 327.388 1.221 20 0 EDADHO CC(C)(CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCOCC1 ZINC000638751453 451677943 /nfs/dbraw/zinc/67/79/43/451677943.db2.gz RHQSTXLWNCQPOO-ZWKOTPCHSA-N 1 3 339.524 1.455 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780601 451688967 /nfs/dbraw/zinc/68/89/67/451688967.db2.gz TZUUPRLNQJBUNA-MSOLQXFVSA-N 1 3 331.460 1.174 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCn2nccc21 ZINC000637266033 451774435 /nfs/dbraw/zinc/77/44/35/451774435.db2.gz VCFGCEJJOGINND-GJZGRUSLSA-N 1 3 336.484 1.289 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCn2nccc21 ZINC000637266033 451774438 /nfs/dbraw/zinc/77/44/38/451774438.db2.gz VCFGCEJJOGINND-GJZGRUSLSA-N 1 3 336.484 1.289 20 0 EDADHO CC[C@H](C)[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)OC ZINC000639261340 451800267 /nfs/dbraw/zinc/80/02/67/451800267.db2.gz NDHYTKMHUMSWRI-IRXDYDNUSA-N 1 3 327.513 1.434 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccccc2C)CC1 ZINC000644540933 451850862 /nfs/dbraw/zinc/85/08/62/451850862.db2.gz RCQFGBCVKFDXLN-SFHVURJKSA-N 1 3 336.476 1.825 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000649276626 451947482 /nfs/dbraw/zinc/94/74/82/451947482.db2.gz SXDIRAHPXJSLMD-INIZCTEOSA-N 1 3 346.475 1.695 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(N)CCN(C)C2)cc1 ZINC000649288269 451962498 /nfs/dbraw/zinc/96/24/98/451962498.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]2(N)CCN(C)C2)cc1 ZINC000649288269 451962502 /nfs/dbraw/zinc/96/25/02/451962502.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 1 3 344.503 1.710 20 0 EDADHO COCCC1(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293138 451969308 /nfs/dbraw/zinc/96/93/08/451969308.db2.gz AHKPDMPGQJGVHI-JKSUJKDBSA-N 1 3 325.497 1.629 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649310484 451988617 /nfs/dbraw/zinc/98/86/17/451988617.db2.gz MJKSCWOKIWDPOJ-JKSUJKDBSA-N 1 3 338.496 1.097 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649310484 451988620 /nfs/dbraw/zinc/98/86/20/451988620.db2.gz MJKSCWOKIWDPOJ-JKSUJKDBSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649323654 452003973 /nfs/dbraw/zinc/00/39/73/452003973.db2.gz MFOHWDXONRZZAJ-KXBFYZLASA-N 1 3 330.476 1.361 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649344607 452024567 /nfs/dbraw/zinc/02/45/67/452024567.db2.gz HDBWFPWFMHZHAN-AEFFLSMTSA-N 1 3 331.460 1.345 20 0 EDADHO NC[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078561 452046732 /nfs/dbraw/zinc/04/67/32/452046732.db2.gz BBKFXMBJYONOCZ-GOEBONIOSA-N 1 3 335.423 1.082 20 0 EDADHO CCN1[C@H](C)CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000639741751 452085966 /nfs/dbraw/zinc/08/59/66/452085966.db2.gz CXLNGZGITCYADJ-SCTDSRPQSA-N 1 3 346.519 1.820 20 0 EDADHO C[NH+]1CCC(C)(CNCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647200071 452121325 /nfs/dbraw/zinc/12/13/25/452121325.db2.gz HFTFVHYRDUVIDR-UHFFFAOYSA-N 1 3 329.441 1.295 20 0 EDADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Cc1ccc2ccccc2c1 ZINC000647517568 452252896 /nfs/dbraw/zinc/25/28/96/452252896.db2.gz XJTPBTZTJKJXLM-UXHICEINSA-N 1 3 328.456 1.790 20 0 EDADHO Cn1ccnc1[C@@H]1CNCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647539608 452269953 /nfs/dbraw/zinc/26/99/53/452269953.db2.gz WTEMEFBFXJWTLI-SFHVURJKSA-N 1 3 343.475 1.507 20 0 EDADHO Cn1ccnc1[C@H]1CNCCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647539607 452272103 /nfs/dbraw/zinc/27/21/03/452272103.db2.gz WTEMEFBFXJWTLI-GOSISDBHSA-N 1 3 343.475 1.507 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659432776 452279182 /nfs/dbraw/zinc/27/91/82/452279182.db2.gz NHYOAMWKOXWBDN-UHFFFAOYSA-N 1 3 334.464 1.698 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458842 452312491 /nfs/dbraw/zinc/31/24/91/452312491.db2.gz ALJSXYRCKNRDRQ-QGZVFWFLSA-N 1 3 340.512 1.376 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659460821 452314885 /nfs/dbraw/zinc/31/48/85/452314885.db2.gz UIMQOPLBIONPBC-DZOHQFGASA-N 1 3 330.476 1.914 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000665762397 452339065 /nfs/dbraw/zinc/33/90/65/452339065.db2.gz CQNZAMLEYINUPV-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000665762397 452339073 /nfs/dbraw/zinc/33/90/73/452339073.db2.gz CQNZAMLEYINUPV-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCOCC2 ZINC000665762407 452339496 /nfs/dbraw/zinc/33/94/96/452339496.db2.gz CSFRAJLBQOULJH-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCOCC2 ZINC000665762407 452339503 /nfs/dbraw/zinc/33/95/03/452339503.db2.gz CSFRAJLBQOULJH-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N(C)C1CC1 ZINC000652147240 452340720 /nfs/dbraw/zinc/34/07/20/452340720.db2.gz NRDLVBSYBRWWER-DLTWYDFYSA-N 1 3 338.496 1.397 20 0 EDADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000659481290 452341946 /nfs/dbraw/zinc/34/19/46/452341946.db2.gz XGWNWABQZVPWMM-QGZVFWFLSA-N 1 3 346.475 1.324 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000665763574 452342989 /nfs/dbraw/zinc/34/29/89/452342989.db2.gz GBUMOMVRMFKDGQ-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CC(C)O[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763560 452345295 /nfs/dbraw/zinc/34/52/95/452345295.db2.gz FRBGVYHPARNIJW-IRXDYDNUSA-N 1 3 342.528 1.857 20 0 EDADHO CC(C)O[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763560 452345299 /nfs/dbraw/zinc/34/52/99/452345299.db2.gz FRBGVYHPARNIJW-IRXDYDNUSA-N 1 3 342.528 1.857 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659515132 452380737 /nfs/dbraw/zinc/38/07/37/452380737.db2.gz AWCBMHLTISXBTP-SJORKVTESA-N 1 3 334.464 1.036 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659534481 452394545 /nfs/dbraw/zinc/39/45/45/452394545.db2.gz AJWLAXTZIAFUND-QZTJIDSGSA-N 1 3 345.491 1.863 20 0 EDADHO CN(C)C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659614293 452471042 /nfs/dbraw/zinc/47/10/42/452471042.db2.gz CBIRFWVOIRYCAC-VXKCQOAXSA-N 1 3 336.867 1.994 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000659621605 452478456 /nfs/dbraw/zinc/47/84/56/452478456.db2.gz HNKABJTWDZEZCF-OAHLLOKOSA-N 1 3 327.517 1.075 20 0 EDADHO Cc1noc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663917118 452642949 /nfs/dbraw/zinc/64/29/49/452642949.db2.gz BHROKLYGJHGOEJ-RYUDHWBXSA-N 1 3 326.445 1.010 20 0 EDADHO Cc1noc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663917118 452642957 /nfs/dbraw/zinc/64/29/57/452642957.db2.gz BHROKLYGJHGOEJ-RYUDHWBXSA-N 1 3 326.445 1.010 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655920002 452680832 /nfs/dbraw/zinc/68/08/32/452680832.db2.gz RNEZTPBZAFZRIA-ZIAGYGMSSA-N 1 3 344.381 1.792 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924872 452691331 /nfs/dbraw/zinc/69/13/31/452691331.db2.gz SCXBPUBKZFRGER-BNOWGMLFSA-N 1 3 344.381 1.696 20 0 EDADHO O=c1n2ccccc2nn1CCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978589 452724153 /nfs/dbraw/zinc/72/41/53/452724153.db2.gz VFQSNEZHADQDSG-HOTGVXAUSA-N 1 3 329.448 1.208 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978556 452724333 /nfs/dbraw/zinc/72/43/33/452724333.db2.gz UWCGNRXLHQZQFM-CVEARBPZSA-N 1 3 348.491 1.563 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000661973300 452727335 /nfs/dbraw/zinc/72/73/35/452727335.db2.gz QBQRBUSOGLXLHP-QGZVFWFLSA-N 1 3 340.512 1.658 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655958753 452739998 /nfs/dbraw/zinc/73/99/98/452739998.db2.gz OPFWBZFGXITVKT-CVEARBPZSA-N 1 3 330.432 1.217 20 0 EDADHO CC(=O)NC1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000658135314 452746834 /nfs/dbraw/zinc/74/68/34/452746834.db2.gz DDVDFXJNDQTDES-MHJFOBGBSA-N 1 3 345.487 1.790 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2ccnn2c1 ZINC000648034930 452770909 /nfs/dbraw/zinc/77/09/09/452770909.db2.gz LNFVRPKUDMJDCT-KRWDZBQOSA-N 1 3 330.480 1.577 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2ccnn2c1 ZINC000648034930 452770916 /nfs/dbraw/zinc/77/09/16/452770916.db2.gz LNFVRPKUDMJDCT-KRWDZBQOSA-N 1 3 330.480 1.577 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652612608 452771462 /nfs/dbraw/zinc/77/14/62/452771462.db2.gz XDDIQVUFDNIEAH-GJZGRUSLSA-N 1 3 334.468 1.298 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000648132435 452846960 /nfs/dbraw/zinc/84/69/60/452846960.db2.gz OTDGDKJAWYBZKE-LBPRGKRZSA-N 1 3 344.394 1.240 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706683 452945747 /nfs/dbraw/zinc/94/57/47/452945747.db2.gz QHXCSFWSTRHOMS-KURKYZTESA-N 1 3 345.491 1.795 20 0 EDADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000654851303 452975996 /nfs/dbraw/zinc/97/59/96/452975996.db2.gz PJTUQFFPTXJSJF-UHFFFAOYSA-N 1 3 328.460 1.995 20 0 EDADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666650269 453036913 /nfs/dbraw/zinc/03/69/13/453036913.db2.gz BMKXMHOTFLPVEP-AEFFLSMTSA-N 1 3 344.503 1.914 20 0 EDADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000666650269 453036915 /nfs/dbraw/zinc/03/69/15/453036915.db2.gz BMKXMHOTFLPVEP-AEFFLSMTSA-N 1 3 344.503 1.914 20 0 EDADHO CC(C)OCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338280 453057322 /nfs/dbraw/zinc/05/73/22/453057322.db2.gz PVYRYTOGSDDBCI-MRXNPFEDSA-N 1 3 335.496 1.814 20 0 EDADHO CC(C)OCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338280 453057329 /nfs/dbraw/zinc/05/73/29/453057329.db2.gz PVYRYTOGSDDBCI-MRXNPFEDSA-N 1 3 335.496 1.814 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165787 453095450 /nfs/dbraw/zinc/09/54/50/453095450.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165787 453095457 /nfs/dbraw/zinc/09/54/57/453095457.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](C)C1 ZINC000662386684 453096744 /nfs/dbraw/zinc/09/67/44/453096744.db2.gz DPWCVTRQIIVVGQ-ZIAGYGMSSA-N 1 3 334.464 1.992 20 0 EDADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662467047 453176487 /nfs/dbraw/zinc/17/64/87/453176487.db2.gz MPLPWPGKMQXVFW-KXBFYZLASA-N 1 3 343.471 1.838 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000648782535 453266320 /nfs/dbraw/zinc/26/63/20/453266320.db2.gz NIVWNHVKDLJAMH-MRXNPFEDSA-N 1 3 349.523 1.786 20 0 EDADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120184 453310868 /nfs/dbraw/zinc/31/08/68/453310868.db2.gz IVEBWRAGJOFFGD-IRXDYDNUSA-N 1 3 335.492 1.668 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1Cc1ccccc1 ZINC000653122339 453313262 /nfs/dbraw/zinc/31/32/62/453313262.db2.gz UFWUDDOHOLGGGD-WMEZAQDKSA-N 1 3 329.444 1.002 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000651190997 453340651 /nfs/dbraw/zinc/34/06/51/453340651.db2.gz ISXDLURBRYPVNP-UHFFFAOYSA-N 1 3 333.480 1.891 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000651190997 453340661 /nfs/dbraw/zinc/34/06/61/453340661.db2.gz ISXDLURBRYPVNP-UHFFFAOYSA-N 1 3 333.480 1.891 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681112 453402225 /nfs/dbraw/zinc/40/22/25/453402225.db2.gz AUZAFAPFKVXSIS-NWDGAFQWSA-N 1 3 325.400 1.082 20 0 EDADHO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(C(C)(C)N)no2)C[C@@H](C)O1 ZINC000662690373 453410027 /nfs/dbraw/zinc/41/00/27/453410027.db2.gz ZWUUWPKAEJNPIO-CHWSQXEVSA-N 1 3 338.452 1.488 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662694315 453413693 /nfs/dbraw/zinc/41/36/93/453413693.db2.gz OXXQQFAVXWWXAV-HUUCEWRRSA-N 1 3 334.468 1.053 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)c1cccc2c1CCNC2 ZINC000662720699 453445178 /nfs/dbraw/zinc/44/51/78/453445178.db2.gz JFXBVOMXWRQNLU-UHFFFAOYSA-N 1 3 333.476 1.763 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000667176532 453453944 /nfs/dbraw/zinc/45/39/44/453453944.db2.gz UKEIONUKKFAFAT-ZIAGYGMSSA-N 1 3 334.468 1.850 20 0 EDADHO CC[C@@H](C)N[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000664874707 453458498 /nfs/dbraw/zinc/45/84/98/453458498.db2.gz OXFPCANCXLUPGZ-QPSCCSFWSA-N 1 3 338.452 1.025 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000662737812 453463237 /nfs/dbraw/zinc/46/32/37/453463237.db2.gz CSBBKVDNYUEKCG-ZOBUZTSGSA-N 1 3 344.459 1.529 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660702132 453526486 /nfs/dbraw/zinc/52/64/86/453526486.db2.gz GFQJJDQXKWPDKS-IRXDYDNUSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660702132 453526491 /nfs/dbraw/zinc/52/64/91/453526491.db2.gz GFQJJDQXKWPDKS-IRXDYDNUSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000665043819 453550636 /nfs/dbraw/zinc/55/06/36/453550636.db2.gz MUHBAQMGUCOZRD-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO CC(C)N1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662822262 453552004 /nfs/dbraw/zinc/55/20/04/453552004.db2.gz LREAJPQOUCSPCY-HNNXBMFYSA-N 1 3 334.468 1.149 20 0 EDADHO Cc1c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838720 453563655 /nfs/dbraw/zinc/56/36/55/453563655.db2.gz NXEFTPRJBDXUOD-HZPDHXFCSA-N 1 3 346.479 1.258 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000662860407 453575346 /nfs/dbraw/zinc/57/53/46/453575346.db2.gz YOBSXIBELITTMA-SFHVURJKSA-N 1 3 330.476 1.800 20 0 EDADHO C[C@@H]1CCN(C(=O)Nc2ccn(C3CCN(C)CC3)n2)[C@H](C[NH3+])C1 ZINC000659011697 453580501 /nfs/dbraw/zinc/58/05/01/453580501.db2.gz XQCIGYJLDGDISM-HIFRSBDPSA-N 1 3 334.468 1.741 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CCN(C)CC2)cc1F ZINC000662870936 453581749 /nfs/dbraw/zinc/58/17/49/453581749.db2.gz QDLPUAMQRCSGFV-RDJZCZTQSA-N 1 3 349.450 1.738 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878034 453584448 /nfs/dbraw/zinc/58/44/48/453584448.db2.gz KPNJGVLBESQAQI-UKRRQHHQSA-N 1 3 343.349 1.828 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660822531 453586935 /nfs/dbraw/zinc/58/69/35/453586935.db2.gz DILACLGCMJZGBG-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660821270 453587093 /nfs/dbraw/zinc/58/70/93/453587093.db2.gz BYJHFDZUZWASQJ-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829808 453593496 /nfs/dbraw/zinc/59/34/96/453593496.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829808 453593503 /nfs/dbraw/zinc/59/35/03/453593503.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 1 3 339.528 1.042 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000665232115 453616583 /nfs/dbraw/zinc/61/65/83/453616583.db2.gz GFKFAEJDNDIHCH-LMMKCTJWSA-N 1 3 336.476 1.722 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000665232115 453616588 /nfs/dbraw/zinc/61/65/88/453616588.db2.gz GFKFAEJDNDIHCH-LMMKCTJWSA-N 1 3 336.476 1.722 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)C2(N)Cc3ccccc3C2)CCO1 ZINC000662971648 453630687 /nfs/dbraw/zinc/63/06/87/453630687.db2.gz CSVCZKQVNFOYCM-KRWDZBQOSA-N 1 3 331.460 1.052 20 0 EDADHO C[C@@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291406 453638155 /nfs/dbraw/zinc/63/81/55/453638155.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 1 3 341.459 1.784 20 0 EDADHO C[C@@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000665291406 453638159 /nfs/dbraw/zinc/63/81/59/453638159.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 1 3 341.459 1.784 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005655 453644094 /nfs/dbraw/zinc/64/40/94/453644094.db2.gz XFVJBZZXNPEJLX-LJCCNALRSA-N 1 3 349.519 1.757 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005655 453644102 /nfs/dbraw/zinc/64/41/02/453644102.db2.gz XFVJBZZXNPEJLX-LJCCNALRSA-N 1 3 349.519 1.757 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661316906 453791063 /nfs/dbraw/zinc/79/10/63/453791063.db2.gz YMOICXRHUNJWIG-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661316906 453791065 /nfs/dbraw/zinc/79/10/65/453791065.db2.gz YMOICXRHUNJWIG-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO OCC[C@]1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000683707236 486796479 /nfs/dbraw/zinc/79/64/79/486796479.db2.gz ZMTATJFEOYXWRW-IBGZPJMESA-N 1 3 334.460 1.792 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734275 486810155 /nfs/dbraw/zinc/81/01/55/486810155.db2.gz JQLKMSNHIAKUCX-SJORKVTESA-N 1 3 330.476 1.655 20 0 EDADHO COCc1nc(NC2CCN(C3CC[NH+](C)CC3)CC2)cc(OC)n1 ZINC000681229537 486982159 /nfs/dbraw/zinc/98/21/59/486982159.db2.gz LZKBQWPLBLHYBG-UHFFFAOYSA-N 1 3 349.479 1.602 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000677303447 487037418 /nfs/dbraw/zinc/03/74/18/487037418.db2.gz DJTWSDMXPSTVDL-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000677303447 487037422 /nfs/dbraw/zinc/03/74/22/487037422.db2.gz DJTWSDMXPSTVDL-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nn(C)cc1C ZINC000668216161 487146186 /nfs/dbraw/zinc/14/61/86/487146186.db2.gz VPLXQIAJAMNTCR-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1nn(C)cc1C ZINC000668216161 487146190 /nfs/dbraw/zinc/14/61/90/487146190.db2.gz VPLXQIAJAMNTCR-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO C[C@H](NC(=O)NC[C@]1(N(C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000673979350 487174971 /nfs/dbraw/zinc/17/49/71/487174971.db2.gz FYBOVWZZKQONMT-XJKSGUPXSA-N 1 3 328.526 1.453 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669528944 485503917 /nfs/dbraw/zinc/50/39/17/485503917.db2.gz VICJIQMCGCKGHS-CBZIJGRNSA-N 1 3 334.508 1.890 20 0 EDADHO C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000530576365 485561424 /nfs/dbraw/zinc/56/14/24/485561424.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 1 3 331.460 1.222 20 0 EDADHO C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000530576365 485561429 /nfs/dbraw/zinc/56/14/29/485561429.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 1 3 331.460 1.222 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCO1 ZINC000669570896 485592144 /nfs/dbraw/zinc/59/21/44/485592144.db2.gz JKPMWFPXXDGRMT-YESZJQIVSA-N 1 3 338.496 1.128 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669582987 485630457 /nfs/dbraw/zinc/63/04/57/485630457.db2.gz VOCSTWZYQHSARU-IHWYPQMZSA-N 1 3 332.448 1.474 20 0 EDADHO CCN1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798159 486084661 /nfs/dbraw/zinc/08/46/61/486084661.db2.gz SCFLUCLZZAPFTG-XJKSGUPXSA-N 1 3 334.468 1.005 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000669463248 486215878 /nfs/dbraw/zinc/21/58/78/486215878.db2.gz CHYGGIYVEKGCEQ-UHFFFAOYSA-N 1 3 346.475 1.195 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC(C)([NH3+])CC2)Cc2ccccc2C1 ZINC000669496380 486270497 /nfs/dbraw/zinc/27/04/97/486270497.db2.gz HUQPRDXIFKSTGP-UHFFFAOYSA-N 1 3 330.476 1.608 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000669508990 486291491 /nfs/dbraw/zinc/29/14/91/486291491.db2.gz ZEQHMSFKCRETTI-CVEARBPZSA-N 1 3 331.391 1.693 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000578050634 517459710 /nfs/dbraw/zinc/45/97/10/517459710.db2.gz PUPIDQYVHZBZBL-JKSUJKDBSA-N 1 3 326.485 1.031 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000367910906 517945641 /nfs/dbraw/zinc/94/56/41/517945641.db2.gz LZHZHIFTJLQFHI-KCQAQPDRSA-N 1 3 335.414 1.854 20 0 EDADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000168096731 534820144 /nfs/dbraw/zinc/82/01/44/534820144.db2.gz OCVUJKYLVUXFPS-ZWKOTPCHSA-N 1 3 331.460 1.300 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000333458022 535331061 /nfs/dbraw/zinc/33/10/61/535331061.db2.gz YPQYHZMMOLAYIW-XIRDDKMYSA-N 1 3 338.496 1.255 20 0 EDADHO CC[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)N(CC)CC ZINC000345286909 535407813 /nfs/dbraw/zinc/40/78/13/535407813.db2.gz FIILFAPJYOMVHC-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO CC[NH2+]CC1CCN(Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000261959758 535458875 /nfs/dbraw/zinc/45/88/75/535458875.db2.gz PAYWLVQOZCUJCI-UHFFFAOYSA-N 1 3 336.480 1.885 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)c1C ZINC000340135411 535593083 /nfs/dbraw/zinc/59/30/83/535593083.db2.gz RTMGKJQXRRZFKI-SFHVURJKSA-N 1 3 349.523 1.536 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)c1C ZINC000340135411 535593089 /nfs/dbraw/zinc/59/30/89/535593089.db2.gz RTMGKJQXRRZFKI-SFHVURJKSA-N 1 3 349.523 1.536 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236950944 535711531 /nfs/dbraw/zinc/71/15/31/535711531.db2.gz PQAIBUDJOTVWBT-CSNJMZFVSA-N 1 3 336.524 1.297 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000333332439 535752376 /nfs/dbraw/zinc/75/23/76/535752376.db2.gz ONRJZXYMXWESQQ-IYBDPMFKSA-N 1 3 343.475 1.512 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261702249 535902669 /nfs/dbraw/zinc/90/26/69/535902669.db2.gz INGLCXVXKBBKBK-FUHWJXTLSA-N 1 3 333.476 1.803 20 0 EDADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262228631 536049331 /nfs/dbraw/zinc/04/93/31/536049331.db2.gz NQFOMMIVRUJANL-FUHIMQAGSA-N 1 3 345.487 1.897 20 0 EDADHO COCCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261873393 536732955 /nfs/dbraw/zinc/73/29/55/536732955.db2.gz DLIGASFMGCAKBT-KSZLIROESA-N 1 3 334.460 1.959 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C1 ZINC000347314426 536776320 /nfs/dbraw/zinc/77/63/20/536776320.db2.gz RCYZNEVNARIXJS-XHSDSOJGSA-N 1 3 342.528 1.713 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2ccncc2)CC1 ZINC000727069913 578513325 /nfs/dbraw/zinc/51/33/25/578513325.db2.gz NKWUMZKKDMDZLP-UHFFFAOYSA-N 1 3 335.521 1.666 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727703375 578537889 /nfs/dbraw/zinc/53/78/89/578537889.db2.gz OWANHQSHRXQYSZ-GJZGRUSLSA-N 1 3 328.526 1.046 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCCN1CCOC ZINC000727703375 578537890 /nfs/dbraw/zinc/53/78/90/578537890.db2.gz OWANHQSHRXQYSZ-GJZGRUSLSA-N 1 3 328.526 1.046 20 0 EDADHO C[NH+](C)CCOC1CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736769831 579018904 /nfs/dbraw/zinc/01/89/04/579018904.db2.gz UBVWTYKPRZETDR-UHFFFAOYSA-N 1 3 330.436 1.409 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000746257894 579582533 /nfs/dbraw/zinc/58/25/33/579582533.db2.gz HKZYADOOCWWXJA-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@H+](C[C@H](O)CN1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000750184994 579755016 /nfs/dbraw/zinc/75/50/16/579755016.db2.gz GZUXSYQWJNZANA-FQEVSTJZSA-N 1 3 346.519 1.477 20 0 EDADHO C[N@@H+](C[C@H](O)CN1CCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000750184994 579755018 /nfs/dbraw/zinc/75/50/18/579755018.db2.gz GZUXSYQWJNZANA-FQEVSTJZSA-N 1 3 346.519 1.477 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nnc3ccccn32)[C@H](C)C1 ZINC000764639573 580125388 /nfs/dbraw/zinc/12/53/88/580125388.db2.gz QIXGELMCNTYBFI-IAGOWNOFSA-N 1 3 345.491 1.998 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nnc3ccccn32)[C@H](C)C1 ZINC000764639573 580125389 /nfs/dbraw/zinc/12/53/89/580125389.db2.gz QIXGELMCNTYBFI-IAGOWNOFSA-N 1 3 345.491 1.998 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H](CO)C3CC3)cc2)CC1 ZINC000771802965 580294565 /nfs/dbraw/zinc/29/45/65/580294565.db2.gz MFLKZOGNKMILBG-SFHVURJKSA-N 1 3 346.475 1.128 20 0 EDADHO C[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)C(C)(C)C[NH+](C)C ZINC000793720635 580853644 /nfs/dbraw/zinc/85/36/44/580853644.db2.gz GWWYDNSXBZXAQZ-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N1CCCCC1 ZINC000793720632 580853652 /nfs/dbraw/zinc/85/36/52/580853652.db2.gz GWWYDNSXBZXAQZ-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000798958005 581012336 /nfs/dbraw/zinc/01/23/36/581012336.db2.gz WSMSSNRAGOAYKS-WBVHZDCISA-N 1 3 333.432 1.557 20 0 EDADHO CN(C)CCOCCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891841132 590648635 /nfs/dbraw/zinc/64/86/35/590648635.db2.gz FKPXNZMBQZISSA-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000891856584 590658062 /nfs/dbraw/zinc/65/80/62/590658062.db2.gz RZSQHOLNTAPFKY-NJAFHUGGSA-N 1 3 346.475 1.409 20 0 EDADHO CN1CCN(CCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000891881015 590668507 /nfs/dbraw/zinc/66/85/07/590668507.db2.gz SCIMQWXPUGOMTJ-HNNXBMFYSA-N 1 3 339.528 1.090 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891956445 590706858 /nfs/dbraw/zinc/70/68/58/590706858.db2.gz QKVUDDWWZPSTHU-MAUKXSAKSA-N 1 3 330.476 1.732 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891956445 590706861 /nfs/dbraw/zinc/70/68/61/590706861.db2.gz QKVUDDWWZPSTHU-MAUKXSAKSA-N 1 3 330.476 1.732 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000892095934 590795440 /nfs/dbraw/zinc/79/54/40/590795440.db2.gz ZBWKZMULPBZVLU-BPQIPLTHSA-N 1 3 330.476 1.867 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000892117977 590808242 /nfs/dbraw/zinc/80/82/42/590808242.db2.gz BENJVOKZJQLOCV-RDJZCZTQSA-N 1 3 346.475 1.018 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000892117977 590808244 /nfs/dbraw/zinc/80/82/44/590808244.db2.gz BENJVOKZJQLOCV-RDJZCZTQSA-N 1 3 346.475 1.018 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892188474 590855014 /nfs/dbraw/zinc/85/50/14/590855014.db2.gz RGNBVCPJVHYSEP-QBPKDAKJSA-N 1 3 343.475 1.690 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000890476984 590951933 /nfs/dbraw/zinc/95/19/33/590951933.db2.gz ZDYJGXXNGFTUTG-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892442961 591030306 /nfs/dbraw/zinc/03/03/06/591030306.db2.gz PXPAIRXILSEZNT-JYJNAYRXSA-N 1 3 326.485 1.256 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529920 591059797 /nfs/dbraw/zinc/05/97/97/591059797.db2.gz FVLPMTXCMRKSFK-KURKYZTESA-N 1 3 328.460 1.573 20 0 EDADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892609857 591094303 /nfs/dbraw/zinc/09/43/03/591094303.db2.gz BZVDDZXYXAMHRO-GOEBONIOSA-N 1 3 340.489 1.540 20 0 EDADHO COCC[NH+](CCOC)C1CCN(c2cc(N)ncc2Cl)CC1 ZINC000893837120 591109266 /nfs/dbraw/zinc/10/92/66/591109266.db2.gz DNJAYITUDSIPHF-UHFFFAOYSA-N 1 3 342.871 1.881 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891536654 591113988 /nfs/dbraw/zinc/11/39/88/591113988.db2.gz FHTIQYVHCKXQIZ-CRAIPNDOSA-N 1 3 340.512 1.504 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000893914225 591135511 /nfs/dbraw/zinc/13/55/11/591135511.db2.gz LJNWEIJDZCFQGP-OAHLLOKOSA-N 1 3 349.479 1.306 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000893914225 591135515 /nfs/dbraw/zinc/13/55/15/591135515.db2.gz LJNWEIJDZCFQGP-OAHLLOKOSA-N 1 3 349.479 1.306 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000892788103 591178800 /nfs/dbraw/zinc/17/88/00/591178800.db2.gz BHUCOTPFQSKVDW-OALUTQOASA-N 1 3 342.487 1.732 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891674325 591179275 /nfs/dbraw/zinc/17/92/75/591179275.db2.gz WXCKEARFFHFPGJ-QZTJIDSGSA-N 1 3 330.476 1.875 20 0 EDADHO CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000892884446 591216157 /nfs/dbraw/zinc/21/61/57/591216157.db2.gz IIJSGEDJQLHRRB-UHFFFAOYSA-N 1 3 342.528 1.953 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895656194 591241439 /nfs/dbraw/zinc/24/14/39/591241439.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)C1 ZINC000895656194 591241441 /nfs/dbraw/zinc/24/14/41/591241441.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)C2CN(C3CCOCC3)C2)([NH+](C)C)C1 ZINC000895834978 591285216 /nfs/dbraw/zinc/28/52/16/591285216.db2.gz VADBOPKRSBLDHZ-BEFAXECRSA-N 1 3 337.508 1.724 20 0 EDADHO CN1CCC(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424863 591308666 /nfs/dbraw/zinc/30/86/66/591308666.db2.gz AODAFIFOOUUBBF-IAGOWNOFSA-N 1 3 339.480 1.698 20 0 EDADHO CN1CCC(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424863 591308668 /nfs/dbraw/zinc/30/86/68/591308668.db2.gz AODAFIFOOUUBBF-IAGOWNOFSA-N 1 3 339.480 1.698 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400223 /nfs/dbraw/zinc/40/02/23/591400223.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 1 3 331.460 1.516 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400226 /nfs/dbraw/zinc/40/02/26/591400226.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 1 3 331.460 1.516 20 0 EDADHO C[C@H]1CCN(CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469706 591471299 /nfs/dbraw/zinc/47/12/99/591471299.db2.gz PBZNNQQSXOIUOQ-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900208031 591942640 /nfs/dbraw/zinc/94/26/40/591942640.db2.gz CBIFUSXYPQIKGM-UHFFFAOYSA-N 1 3 342.487 1.146 20 0 EDADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1CN(C2CCOCC2)C1 ZINC000899813399 591948361 /nfs/dbraw/zinc/94/83/61/591948361.db2.gz VOXJFQYVCZREKE-HNNXBMFYSA-N 1 3 344.459 1.230 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900339889 591989052 /nfs/dbraw/zinc/98/90/52/591989052.db2.gz SPPXEIZTLIMDPQ-CRAIPNDOSA-N 1 3 343.475 1.789 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900339889 591989054 /nfs/dbraw/zinc/98/90/54/591989054.db2.gz SPPXEIZTLIMDPQ-CRAIPNDOSA-N 1 3 343.475 1.789 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900352967 591993017 /nfs/dbraw/zinc/99/30/17/591993017.db2.gz KEESAIWWTKRPPJ-UIBIWLFHSA-N 1 3 325.497 1.316 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900352967 591993018 /nfs/dbraw/zinc/99/30/18/591993018.db2.gz KEESAIWWTKRPPJ-UIBIWLFHSA-N 1 3 325.497 1.316 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903173276 592130547 /nfs/dbraw/zinc/13/05/47/592130547.db2.gz XYWTVGRTZINJNX-RZXJGNPJSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903173276 592130548 /nfs/dbraw/zinc/13/05/48/592130548.db2.gz XYWTVGRTZINJNX-RZXJGNPJSA-N 1 3 333.476 1.560 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@H]2CCC[C@H]21 ZINC000903181661 592131839 /nfs/dbraw/zinc/13/18/39/592131839.db2.gz UBXBYIQUSVEIDN-FGTMMUONSA-N 1 3 343.471 1.870 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@H]2CCC[C@H]21 ZINC000903181661 592131842 /nfs/dbraw/zinc/13/18/42/592131842.db2.gz UBXBYIQUSVEIDN-FGTMMUONSA-N 1 3 343.471 1.870 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200398 592134312 /nfs/dbraw/zinc/13/43/12/592134312.db2.gz RRODTWPPVCYLPG-QRVBRYPASA-N 1 3 332.444 1.291 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCC(C)(C)C1 ZINC000900828079 592139668 /nfs/dbraw/zinc/13/96/68/592139668.db2.gz LIXPSKZTXXXHFF-INIZCTEOSA-N 1 3 325.497 1.628 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903464329 592172343 /nfs/dbraw/zinc/17/23/43/592172343.db2.gz IUNQXZHRIYGBJV-RCSLCFTFSA-N 1 3 341.402 1.535 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C1CC1)C1CCCC1)C2 ZINC000903493153 592185820 /nfs/dbraw/zinc/18/58/20/592185820.db2.gz VRBWATJOXVJUJN-KSMMKXTCSA-N 1 3 349.475 1.132 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000906667147 592249119 /nfs/dbraw/zinc/24/91/19/592249119.db2.gz CQGKCUSQAMISQI-UHFFFAOYSA-N 1 3 330.432 1.217 20 0 EDADHO O=C(CC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723630 592284277 /nfs/dbraw/zinc/28/42/77/592284277.db2.gz XDLMJPSZRRSWKN-MJGOQNOKSA-N 1 3 335.492 1.480 20 0 EDADHO CCCCCNC(=O)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725425 592284984 /nfs/dbraw/zinc/28/49/84/592284984.db2.gz ZMOXQOGWSVXUTI-MJGOQNOKSA-N 1 3 337.508 1.773 20 0 EDADHO COC(=O)CCN(C[C@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753779 592296626 /nfs/dbraw/zinc/29/66/26/592296626.db2.gz YDCNMFTUJWECBW-CVEARBPZSA-N 1 3 340.464 1.189 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)cc1 ZINC000906722022 592312219 /nfs/dbraw/zinc/31/22/19/592312219.db2.gz PNGXJXQWWQWEFE-UHFFFAOYSA-N 1 3 346.475 1.667 20 0 EDADHO COc1ccc([C@@H]2CNCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782686 592321360 /nfs/dbraw/zinc/32/13/60/592321360.db2.gz QPNVTKLVNSQSIA-MOPGFXCFSA-N 1 3 345.487 1.800 20 0 EDADHO CCn1cc(C2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)cn1 ZINC000903889189 592351622 /nfs/dbraw/zinc/35/16/22/592351622.db2.gz PRNPOUNHXHXDPL-INIZCTEOSA-N 1 3 344.507 1.942 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C)NCc3ccc(F)cc32)cnn1C ZINC000903918724 592376786 /nfs/dbraw/zinc/37/67/86/592376786.db2.gz GFBHKCMUDHHMNO-HIFRSBDPSA-N 1 3 345.466 1.983 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCc2cccc(-n3cncn3)c2)cnn1C ZINC000903920645 592377125 /nfs/dbraw/zinc/37/71/25/592377125.db2.gz KQMKTZPSOTWWJA-INIZCTEOSA-N 1 3 339.447 1.216 20 0 EDADHO CCOc1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1F ZINC000903977375 592399660 /nfs/dbraw/zinc/39/96/60/592399660.db2.gz PWIMCNMRKLRWDS-IYOUNJFTSA-N 1 3 336.407 1.937 20 0 EDADHO O[C@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073463 592403078 /nfs/dbraw/zinc/40/30/78/592403078.db2.gz WRUGZTZWCBLINL-RTBURBONSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073463 592403082 /nfs/dbraw/zinc/40/30/82/592403082.db2.gz WRUGZTZWCBLINL-RTBURBONSA-N 1 3 348.487 1.391 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H]3C[NH2+]CC3(C)C)n2)ccn1 ZINC000904098270 592424602 /nfs/dbraw/zinc/42/46/02/592424602.db2.gz RQXUCJOEQSYFJQ-CYBMUJFWSA-N 1 3 331.420 1.785 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000905178179 592456915 /nfs/dbraw/zinc/45/69/15/592456915.db2.gz ZXXGCNPVBJFXIK-ZACQAIPSSA-N 1 3 326.481 1.010 20 0 EDADHO CN1CC[N@H+](C)CC(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000905213726 592469317 /nfs/dbraw/zinc/46/93/17/592469317.db2.gz GDFZRYUHSQTOIU-MRXNPFEDSA-N 1 3 334.464 1.026 20 0 EDADHO CN1CC[N@@H+](C)CC(C(=O)NC[C@H](c2ccco2)N2CCCC2)C1 ZINC000905213726 592469322 /nfs/dbraw/zinc/46/93/22/592469322.db2.gz GDFZRYUHSQTOIU-MRXNPFEDSA-N 1 3 334.464 1.026 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500973 592545750 /nfs/dbraw/zinc/54/57/50/592545750.db2.gz DGHQDFOQXYKBOM-FPAYPSAMSA-N 1 3 346.475 1.480 20 0 EDADHO CC(C)Nc1nc(NCCO)nc(N2CCCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000905684026 592612030 /nfs/dbraw/zinc/61/20/30/592612030.db2.gz YHTXGIOIJGAHLV-QGZVFWFLSA-N 1 3 349.483 1.066 20 0 EDADHO N[C@@H](CC(=O)N[C@H]1CCC[C@H]1C[NH3+])Cc1cc(F)c(F)cc1F ZINC000911830462 593018582 /nfs/dbraw/zinc/01/85/82/593018582.db2.gz ARLIISCQTQMKKF-ISOBSLSZSA-N 1 3 329.366 1.607 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)COC(=O)N2 ZINC000912303571 593085009 /nfs/dbraw/zinc/08/50/09/593085009.db2.gz LCEJFEBHHMBNKB-ZDUSSCGKSA-N 1 3 348.447 1.751 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)COC(=O)N2 ZINC000912303571 593085010 /nfs/dbraw/zinc/08/50/10/593085010.db2.gz LCEJFEBHHMBNKB-ZDUSSCGKSA-N 1 3 348.447 1.751 20 0 EDADHO COCCN1CC[C@H](Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000839190590 593272866 /nfs/dbraw/zinc/27/28/66/593272866.db2.gz QYFPTYUWVLNZIV-HNNXBMFYSA-N 1 3 325.428 1.899 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)CCOC3CNC3)cc2)CC1 ZINC000818609866 593707700 /nfs/dbraw/zinc/70/77/00/593707700.db2.gz PYXBZWMCIBLFGV-UHFFFAOYSA-N 1 3 346.475 1.534 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000819174088 593742728 /nfs/dbraw/zinc/74/27/28/593742728.db2.gz OHUWKTQHZDHLBC-FGTMMUONSA-N 1 3 340.414 1.966 20 0 EDADHO C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000820829317 593899475 /nfs/dbraw/zinc/89/94/75/593899475.db2.gz HXBZYUNGDNODNL-RHSMWYFYSA-N 1 3 339.505 1.823 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(C)C ZINC000827837342 594288119 /nfs/dbraw/zinc/28/81/19/594288119.db2.gz ULVXYMZUMWLZOD-KRWDZBQOSA-N 1 3 325.497 1.676 20 0 EDADHO COc1ccccc1C(F)(F)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000826545090 594521965 /nfs/dbraw/zinc/52/19/65/594521965.db2.gz WZDCVVVUMZHPMZ-UHFFFAOYSA-N 1 3 343.418 1.739 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000831177739 594575732 /nfs/dbraw/zinc/57/57/32/594575732.db2.gz BEHDMBHNJMJOON-IBGZPJMESA-N 1 3 338.455 1.956 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000827249805 594656337 /nfs/dbraw/zinc/65/63/37/594656337.db2.gz MSXRGFYDNPGUOY-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO CCO[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+](C)C ZINC000831756269 594699965 /nfs/dbraw/zinc/69/99/65/594699965.db2.gz FSKQRMBVCFKSPC-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000841323903 594885060 /nfs/dbraw/zinc/88/50/60/594885060.db2.gz DKDFEDQEIUSCGG-GDBMZVCRSA-N 1 3 334.420 1.009 20 0 EDADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841791472 594954008 /nfs/dbraw/zinc/95/40/08/594954008.db2.gz XVECNOCLCWUYMI-MSOLQXFVSA-N 1 3 346.475 1.410 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847046 594964453 /nfs/dbraw/zinc/96/44/53/594964453.db2.gz QECYPILRCUEKAK-ZIAGYGMSSA-N 1 3 333.432 1.922 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000841899885 594977478 /nfs/dbraw/zinc/97/74/78/594977478.db2.gz YKSSIZWXOKMTPT-LJQANCHMSA-N 1 3 348.491 1.434 20 0 EDADHO [NH3+]CCCCCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000843263023 595057724 /nfs/dbraw/zinc/05/77/24/595057724.db2.gz UDYPTLLGQPAPPH-UHFFFAOYSA-N 1 3 338.496 1.099 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Br)cc1)CN1CCCC1 ZINC000843062566 595277603 /nfs/dbraw/zinc/27/76/03/595277603.db2.gz PSNAVYSTOUHERM-LSDHHAIUSA-N 1 3 343.265 1.529 20 0 EDADHO O[C@H](C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000843062668 595277969 /nfs/dbraw/zinc/27/79/69/595277969.db2.gz QZWYOHRTZACCOT-HIFRSBDPSA-N 1 3 348.365 1.665 20 0 EDADHO CSCC[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183326 595294947 /nfs/dbraw/zinc/29/49/47/595294947.db2.gz XSQZFINHCVBJNN-OAHLLOKOSA-N 1 3 325.478 1.670 20 0 EDADHO CN(C)CCOc1cc(-c2noc(C3(C[NH3+])CCCC3)n2)ccn1 ZINC000843192505 595302282 /nfs/dbraw/zinc/30/22/82/595302282.db2.gz WJXLFQJUDBPGEA-UHFFFAOYSA-N 1 3 331.420 1.843 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOC(C)(C)CO)CC2)CC1 ZINC000848161749 595331031 /nfs/dbraw/zinc/33/10/31/595331031.db2.gz CDMXMMNZOZWXDZ-UHFFFAOYSA-N 1 3 327.469 1.001 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H](N)CC[NH+](C)C)n2)ccn1 ZINC000844912198 595412654 /nfs/dbraw/zinc/41/26/54/595412654.db2.gz DZDLGDXNICNCES-ZDUSSCGKSA-N 1 3 334.424 1.024 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccnn3C)CC2)CC1 ZINC000847738825 595476557 /nfs/dbraw/zinc/47/65/57/595476557.db2.gz ZRCOVGWXMOCSDG-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO [NH2+]=C(NCC(=O)NCC1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849077187 595478644 /nfs/dbraw/zinc/47/86/44/595478644.db2.gz UILZMEBSNMWUQK-UHFFFAOYSA-N 1 3 343.475 1.291 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096568 595481431 /nfs/dbraw/zinc/48/14/31/595481431.db2.gz VSNYQHYBFRIECQ-HUUCEWRRSA-N 1 3 332.448 1.815 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559123 /nfs/dbraw/zinc/55/91/23/595559123.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 1 3 335.496 1.304 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559125 /nfs/dbraw/zinc/55/91/25/595559125.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 1 3 335.496 1.304 20 0 EDADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1=NO[C@H](CN)C1 ZINC000852855831 595577881 /nfs/dbraw/zinc/57/78/81/595577881.db2.gz OZXQZWNOKFSMST-ZDUSSCGKSA-N 1 3 338.477 1.522 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N1CCCCC1 ZINC000853465218 595758372 /nfs/dbraw/zinc/75/83/72/595758372.db2.gz CWPQVIFRGVHYHL-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CC(=O)NCCC[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856601024 596029915 /nfs/dbraw/zinc/02/99/15/596029915.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 1 3 348.491 1.901 20 0 EDADHO CC(=O)NCCC[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856601024 596029918 /nfs/dbraw/zinc/02/99/18/596029918.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 1 3 348.491 1.901 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000861669715 596061504 /nfs/dbraw/zinc/06/15/04/596061504.db2.gz ZQYQKSDGQGEZIN-UHFFFAOYSA-N 1 3 334.464 1.398 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870945058 596414869 /nfs/dbraw/zinc/41/48/69/596414869.db2.gz NXMVYWUYYBSYIA-NSHDSACASA-N 1 3 330.404 1.337 20 0 EDADHO CN(C)Cc1cnc(CNc2cc(N3CCN(C)CC3)cc[nH+]2)s1 ZINC000865296346 596531194 /nfs/dbraw/zinc/53/11/94/596531194.db2.gz WZVKNVRGNPMZAR-UHFFFAOYSA-N 1 3 346.504 1.964 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821886 596715289 /nfs/dbraw/zinc/71/52/89/596715289.db2.gz ASBCDFQKKDJAOY-RDJZCZTQSA-N 1 3 345.553 1.888 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc3ncccc23)C1 ZINC000872146327 596810503 /nfs/dbraw/zinc/81/05/03/596810503.db2.gz LKRIRKLQACGGAJ-JCGIZDLHSA-N 1 3 338.411 1.602 20 0 EDADHO CC(C)N1CCN(CCCN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872152997 596814296 /nfs/dbraw/zinc/81/42/96/596814296.db2.gz XSYMBWBKOLMTIF-CABCVRRESA-N 1 3 336.446 1.472 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2)c1ccccc1 ZINC000872315410 596878770 /nfs/dbraw/zinc/87/87/70/596878770.db2.gz SQTQPIYBSHCDHA-SCTDSRPQSA-N 1 3 331.460 1.707 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000874170429 596950392 /nfs/dbraw/zinc/95/03/92/596950392.db2.gz MBGSACKLAFMNCB-NVXWUHKLSA-N 1 3 344.459 1.239 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000874170429 596950393 /nfs/dbraw/zinc/95/03/93/596950393.db2.gz MBGSACKLAFMNCB-NVXWUHKLSA-N 1 3 344.459 1.239 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CN1C1CC1 ZINC000873247066 597238485 /nfs/dbraw/zinc/23/84/85/597238485.db2.gz HSYXOQXBTZQLMT-HIFRSBDPSA-N 1 3 326.448 1.441 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000873248963 597239384 /nfs/dbraw/zinc/23/93/84/597239384.db2.gz JVVVPGKRXPHRJA-MTFMMBMASA-N 1 3 347.503 1.538 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)n2)CC1 ZINC000873322990 597256435 /nfs/dbraw/zinc/25/64/35/597256435.db2.gz KHWQYGVGQDMPNL-WMLDXEAASA-N 1 3 332.452 1.556 20 0 EDADHO CN(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000876739922 597315492 /nfs/dbraw/zinc/31/54/92/597315492.db2.gz ANCGNQSUOVAOCH-YJBOKZPZSA-N 1 3 348.466 1.495 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876777721 597337246 /nfs/dbraw/zinc/33/72/46/597337246.db2.gz PQVDAJAZPGYRKR-YOEHRIQHSA-N 1 3 334.464 1.235 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876777721 597337248 /nfs/dbraw/zinc/33/72/48/597337248.db2.gz PQVDAJAZPGYRKR-YOEHRIQHSA-N 1 3 334.464 1.235 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780315 597337971 /nfs/dbraw/zinc/33/79/71/597337971.db2.gz UKKZYNPQDFESNZ-RHSMWYFYSA-N 1 3 334.439 1.715 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876897719 597375630 /nfs/dbraw/zinc/37/56/30/597375630.db2.gz VDNWTQLNKNOTHP-KSZLIROESA-N 1 3 349.450 1.341 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151769 597443881 /nfs/dbraw/zinc/44/38/81/597443881.db2.gz RESWZQFTLCYHMO-IRXDYDNUSA-N 1 3 332.492 1.340 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246856 597477802 /nfs/dbraw/zinc/47/78/02/597477802.db2.gz RWRFTANHCOKGPF-BJWYYQGGSA-N 1 3 335.492 1.668 20 0 EDADHO C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000877252943 597480708 /nfs/dbraw/zinc/48/07/08/597480708.db2.gz CUFDUAXIZWNNIC-QGZVFWFLSA-N 1 3 344.503 1.703 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000878363924 597597832 /nfs/dbraw/zinc/59/78/32/597597832.db2.gz LRZOSZAEILSZJY-APWZRJJASA-N 1 3 331.460 1.564 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431742 597744132 /nfs/dbraw/zinc/74/41/32/597744132.db2.gz CMDFDFMNOARBBF-JKSUJKDBSA-N 1 3 335.452 1.102 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431742 597744135 /nfs/dbraw/zinc/74/41/35/597744135.db2.gz CMDFDFMNOARBBF-JKSUJKDBSA-N 1 3 335.452 1.102 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883437624 597746485 /nfs/dbraw/zinc/74/64/85/597746485.db2.gz WXTBSRRVSAMUIY-OWCLPIDISA-N 1 3 335.448 1.345 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147957 597857656 /nfs/dbraw/zinc/85/76/56/597857656.db2.gz MQXJCXRAZZMMSX-IRXDYDNUSA-N 1 3 333.476 1.498 20 0 EDADHO COCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000884207279 598029023 /nfs/dbraw/zinc/02/90/23/598029023.db2.gz QZUYUKPTAVPVHO-MRXNPFEDSA-N 1 3 337.489 1.580 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CC2CC2)cc1F ZINC000884405627 598095818 /nfs/dbraw/zinc/09/58/18/598095818.db2.gz XVZVWOVYHKFPOZ-BPUTZDHNSA-N 1 3 335.423 1.523 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914069732 695065458 /nfs/dbraw/zinc/06/54/58/695065458.db2.gz ZITFCMQGYFRFIA-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915642957 695961983 /nfs/dbraw/zinc/96/19/83/695961983.db2.gz JMYIUZRVLSYQJS-IKGGRYGDSA-N 1 3 341.521 1.361 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915763268 695985359 /nfs/dbraw/zinc/98/53/59/695985359.db2.gz NUCGONODGGPBKM-CVEARBPZSA-N 1 3 331.526 1.512 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915763268 695985360 /nfs/dbraw/zinc/98/53/60/695985360.db2.gz NUCGONODGGPBKM-CVEARBPZSA-N 1 3 331.526 1.512 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(CCCO)[C@@H]2C)CC1 ZINC000994135161 696529819 /nfs/dbraw/zinc/52/98/19/696529819.db2.gz QGUYETOLTJLNBC-WBVHZDCISA-N 1 3 325.497 1.458 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2CN(CCCF)C2)CC1 ZINC001031679557 697497014 /nfs/dbraw/zinc/49/70/14/697497014.db2.gz XDQRHUSVHJDOSS-SJORKVTESA-N 1 3 341.471 1.141 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689344 697530956 /nfs/dbraw/zinc/53/09/56/697530956.db2.gz TXDKJHMRVIRNCZ-ROUUACIJSA-N 1 3 333.476 1.398 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689344 697530957 /nfs/dbraw/zinc/53/09/57/697530957.db2.gz TXDKJHMRVIRNCZ-ROUUACIJSA-N 1 3 333.476 1.398 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053557 699113824 /nfs/dbraw/zinc/11/38/24/699113824.db2.gz APPCBNLBFMFTMV-IUODEOHRSA-N 1 3 336.505 1.730 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)CC3)C2)C1 ZINC000941639687 701603112 /nfs/dbraw/zinc/60/31/12/701603112.db2.gz VCUFOZWWVBGAPG-LXPRWKDFSA-N 1 3 348.535 1.203 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[C@H]4CC[N@@H+](C)C4)CC3)C2)C1 ZINC000941639687 701603113 /nfs/dbraw/zinc/60/31/13/701603113.db2.gz VCUFOZWWVBGAPG-LXPRWKDFSA-N 1 3 348.535 1.203 20 0 EDADHO COc1cc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)ccn1 ZINC000939543275 699684333 /nfs/dbraw/zinc/68/43/33/699684333.db2.gz BUTCSLDNUJBUME-HOCLYGCPSA-N 1 3 344.459 1.123 20 0 EDADHO CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000940149672 700282630 /nfs/dbraw/zinc/28/26/30/700282630.db2.gz NUEJKDPNTVNWAI-UHFFFAOYSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296538 700468780 /nfs/dbraw/zinc/46/87/80/700468780.db2.gz NSKBMCGZQGVQCA-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000940337298 700495340 /nfs/dbraw/zinc/49/53/40/700495340.db2.gz FEIAPHHOZUITGW-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940327490 700504166 /nfs/dbraw/zinc/50/41/66/700504166.db2.gz FGPNCZTXRLWNPI-CJNGLKHVSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940327490 700504167 /nfs/dbraw/zinc/50/41/67/700504167.db2.gz FGPNCZTXRLWNPI-CJNGLKHVSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940327625 700504847 /nfs/dbraw/zinc/50/48/47/700504847.db2.gz LHCVLMKGQWQWNU-WMLDXEAASA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940327625 700504848 /nfs/dbraw/zinc/50/48/48/700504848.db2.gz LHCVLMKGQWQWNU-WMLDXEAASA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)C1 ZINC000940328392 700506850 /nfs/dbraw/zinc/50/68/50/700506850.db2.gz IPPMLNWPDFDDGX-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000940392855 700569712 /nfs/dbraw/zinc/56/97/12/700569712.db2.gz REKVNSVCGMPKNG-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000941026469 701065629 /nfs/dbraw/zinc/06/56/29/701065629.db2.gz KMQATNIZSNINQU-RDTXWAMCSA-N 1 3 343.487 1.408 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000941026469 701065632 /nfs/dbraw/zinc/06/56/32/701065632.db2.gz KMQATNIZSNINQU-RDTXWAMCSA-N 1 3 343.487 1.408 20 0 EDADHO Cc1cc(C)cc(CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130351 701840620 /nfs/dbraw/zinc/84/06/20/701840620.db2.gz MJYZACQBIOWSTD-UHFFFAOYSA-N 1 3 327.472 1.947 20 0 EDADHO COc1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC000999189937 706632294 /nfs/dbraw/zinc/63/22/94/706632294.db2.gz OPULYZNFTPBYAK-HYVNUMGLSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccn1 ZINC000999189937 706632296 /nfs/dbraw/zinc/63/22/96/706632296.db2.gz OPULYZNFTPBYAK-HYVNUMGLSA-N 1 3 346.475 1.511 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032205715 702094000 /nfs/dbraw/zinc/09/40/00/702094000.db2.gz GJNBXRIPEKBGMS-ROUUACIJSA-N 1 3 337.508 1.868 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205938 702111555 /nfs/dbraw/zinc/11/15/55/702111555.db2.gz MWWPHRUUIUJMJA-GOSISDBHSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921790 702244021 /nfs/dbraw/zinc/24/40/21/702244021.db2.gz CBZDLVQUCRVVCW-SJORKVTESA-N 1 3 349.523 1.641 20 0 EDADHO C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054212 702500484 /nfs/dbraw/zinc/50/04/84/702500484.db2.gz WODKHJSVPVGAGY-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000942054212 702500488 /nfs/dbraw/zinc/50/04/88/702500488.db2.gz WODKHJSVPVGAGY-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302568 702694510 /nfs/dbraw/zinc/69/45/10/702694510.db2.gz XGTITCQZNDOWJJ-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)on1 ZINC000996462904 702790562 /nfs/dbraw/zinc/79/05/62/702790562.db2.gz CMMCINRIHINPPZ-KRWDZBQOSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)on1 ZINC000996462904 702790564 /nfs/dbraw/zinc/79/05/64/702790564.db2.gz CMMCINRIHINPPZ-KRWDZBQOSA-N 1 3 334.464 1.936 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996475591 702807848 /nfs/dbraw/zinc/80/78/48/702807848.db2.gz CLWAHCLMLJYMEJ-DOTOQJQBSA-N 1 3 345.491 1.375 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000996475591 702807851 /nfs/dbraw/zinc/80/78/51/702807851.db2.gz CLWAHCLMLJYMEJ-DOTOQJQBSA-N 1 3 345.491 1.375 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)n1 ZINC000996534221 702848407 /nfs/dbraw/zinc/84/84/07/702848407.db2.gz ONHKSSWDDLOASL-UHFFFAOYSA-N 1 3 347.507 1.765 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ocnc3C)CC2)CC[N@@H+]1C ZINC000996602987 702912383 /nfs/dbraw/zinc/91/23/83/702912383.db2.gz JMHFKDLQWWUIKY-JKSUJKDBSA-N 1 3 334.464 1.794 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ocnc3C)CC2)CC[N@H+]1C ZINC000996602987 702912385 /nfs/dbraw/zinc/91/23/85/702912385.db2.gz JMHFKDLQWWUIKY-JKSUJKDBSA-N 1 3 334.464 1.794 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC000996664716 702966845 /nfs/dbraw/zinc/96/68/45/702966845.db2.gz LVWMVVSWBJROQU-GOSISDBHSA-N 1 3 345.487 1.785 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996675362 702974258 /nfs/dbraw/zinc/97/42/58/702974258.db2.gz FWEIADRIDFBVOK-QGZVFWFLSA-N 1 3 348.495 1.027 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000996680830 702979499 /nfs/dbraw/zinc/97/94/99/702979499.db2.gz VJBLVYLMEOUOEQ-KRWDZBQOSA-N 1 3 333.480 1.149 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000996688200 702985235 /nfs/dbraw/zinc/98/52/35/702985235.db2.gz GOURVSIXGWRFLY-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000996688200 702985237 /nfs/dbraw/zinc/98/52/37/702985237.db2.gz GOURVSIXGWRFLY-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)ncn1 ZINC000996768544 703060009 /nfs/dbraw/zinc/06/00/09/703060009.db2.gz CJJINRYOUPWNGS-UHFFFAOYSA-N 1 3 343.475 1.494 20 0 EDADHO Cc1cncc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996995835 703252837 /nfs/dbraw/zinc/25/28/37/703252837.db2.gz RSBLACXTMBQOHZ-MRXNPFEDSA-N 1 3 330.476 1.955 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057111 703302847 /nfs/dbraw/zinc/30/28/47/703302847.db2.gz IWFPFAAFWSTGSQ-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO O=C(N1CCC(NCc2cc(C3CC3)no2)CC1)C12CC[NH+](CC1)C2 ZINC000997186984 703476433 /nfs/dbraw/zinc/47/64/33/703476433.db2.gz LPKOZAKMHHITAI-UHFFFAOYSA-N 1 3 344.459 1.728 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC000997298379 703556501 /nfs/dbraw/zinc/55/65/01/703556501.db2.gz IUQWRSDUPYBMGL-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC000997298379 703556503 /nfs/dbraw/zinc/55/65/03/703556503.db2.gz IUQWRSDUPYBMGL-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)c1 ZINC000997356364 703587252 /nfs/dbraw/zinc/58/72/52/703587252.db2.gz JIYLTUZMRGVBLK-KRWDZBQOSA-N 1 3 345.487 1.979 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)on1 ZINC000997361983 703596030 /nfs/dbraw/zinc/59/60/30/703596030.db2.gz ZBSMLACUEHDMED-HUUCEWRRSA-N 1 3 334.464 1.936 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997366054 703599732 /nfs/dbraw/zinc/59/97/32/703599732.db2.gz XZUBGIVWUFCYHJ-KRWDZBQOSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033080192 704145610 /nfs/dbraw/zinc/14/56/10/704145610.db2.gz FDVFXERSGMJNNJ-WMZOPIPTSA-N 1 3 335.492 1.430 20 0 EDADHO CN1CC[C@@H](CNC(=O)NCC2([NH+](C)C)CC2)[C@@H]1c1cccnc1 ZINC000922878692 704445533 /nfs/dbraw/zinc/44/55/33/704445533.db2.gz RTHLGTIPIPHAMN-HOTGVXAUSA-N 1 3 331.464 1.468 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459525 704453034 /nfs/dbraw/zinc/45/30/34/704453034.db2.gz UOEMHLGVBIBDKM-MSOLQXFVSA-N 1 3 337.508 1.676 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459525 704453035 /nfs/dbraw/zinc/45/30/35/704453035.db2.gz UOEMHLGVBIBDKM-MSOLQXFVSA-N 1 3 337.508 1.676 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004464509 704456404 /nfs/dbraw/zinc/45/64/04/704456404.db2.gz PDRRPRHVJZGXKK-MSOLQXFVSA-N 1 3 339.524 1.922 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004464509 704456405 /nfs/dbraw/zinc/45/64/05/704456405.db2.gz PDRRPRHVJZGXKK-MSOLQXFVSA-N 1 3 339.524 1.922 20 0 EDADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792629 704701386 /nfs/dbraw/zinc/70/13/86/704701386.db2.gz JFSOPZVEYBHPJX-WOSRLPQWSA-N 1 3 348.495 1.343 20 0 EDADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792629 704701389 /nfs/dbraw/zinc/70/13/89/704701389.db2.gz JFSOPZVEYBHPJX-WOSRLPQWSA-N 1 3 348.495 1.343 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997861933 704772104 /nfs/dbraw/zinc/77/21/04/704772104.db2.gz WZRYIRQDLMEPAC-GUYCJALGSA-N 1 3 348.491 1.960 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997861933 704772105 /nfs/dbraw/zinc/77/21/05/704772105.db2.gz WZRYIRQDLMEPAC-GUYCJALGSA-N 1 3 348.491 1.960 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092157 705061643 /nfs/dbraw/zinc/06/16/43/705061643.db2.gz PPZGVUVEDXMIPF-YJBOKZPZSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945092157 705061645 /nfs/dbraw/zinc/06/16/45/705061645.db2.gz PPZGVUVEDXMIPF-YJBOKZPZSA-N 1 3 333.476 1.835 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998081321 705302485 /nfs/dbraw/zinc/30/24/85/705302485.db2.gz JCJMIDGHQFXFDW-CYBMUJFWSA-N 1 3 337.493 1.208 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998081321 705302487 /nfs/dbraw/zinc/30/24/87/705302487.db2.gz JCJMIDGHQFXFDW-CYBMUJFWSA-N 1 3 337.493 1.208 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762808 706201180 /nfs/dbraw/zinc/20/11/80/706201180.db2.gz HOJYKFJOHMVSFI-DQPZFDDXSA-N 1 3 348.495 1.250 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762808 706201182 /nfs/dbraw/zinc/20/11/82/706201182.db2.gz HOJYKFJOHMVSFI-DQPZFDDXSA-N 1 3 348.495 1.250 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998994862 706412198 /nfs/dbraw/zinc/41/21/98/706412198.db2.gz LQLUCSFVYHTOCL-JCYILVPMSA-N 1 3 333.480 1.292 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376514 706870890 /nfs/dbraw/zinc/87/08/90/706870890.db2.gz WGSWNOGHTAKNOS-ZBFHGGJFSA-N 1 3 336.505 1.606 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408043 706918171 /nfs/dbraw/zinc/91/81/71/706918171.db2.gz ZUGFJROLRJOFAA-FAEJEUNOSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999410510 706920179 /nfs/dbraw/zinc/92/01/79/706920179.db2.gz YFLRTMRGTOXBHV-NVPAJSRCSA-N 1 3 333.480 1.149 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC(NCc3ccc(F)cn3)C2)C1 ZINC000999410554 706920280 /nfs/dbraw/zinc/92/02/80/706920280.db2.gz YUQPXYBSIZBRDK-IGEOTXOUSA-N 1 3 334.439 1.642 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC(NCc3ccc(F)cn3)C2)C1 ZINC000999410554 706920283 /nfs/dbraw/zinc/92/02/83/706920283.db2.gz YUQPXYBSIZBRDK-IGEOTXOUSA-N 1 3 334.439 1.642 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)N(C)C ZINC000999433786 706941360 /nfs/dbraw/zinc/94/13/60/706941360.db2.gz LISJRGUWAANODC-WMZOPIPTSA-N 1 3 348.491 1.052 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763698 707318338 /nfs/dbraw/zinc/31/83/38/707318338.db2.gz IBRHDKCSOZEHPF-VZDIDWBNSA-N 1 3 333.476 1.230 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946800359 707451044 /nfs/dbraw/zinc/45/10/44/707451044.db2.gz ANURPAMTFIVOSD-JZXOWHBKSA-N 1 3 346.475 1.692 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946800359 707451047 /nfs/dbraw/zinc/45/10/47/707451047.db2.gz ANURPAMTFIVOSD-JZXOWHBKSA-N 1 3 346.475 1.692 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999837114 707473329 /nfs/dbraw/zinc/47/33/29/707473329.db2.gz OBEANUJICYPVNI-NFOMZHRRSA-N 1 3 334.464 1.576 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999837114 707473334 /nfs/dbraw/zinc/47/33/34/707473334.db2.gz OBEANUJICYPVNI-NFOMZHRRSA-N 1 3 334.464 1.576 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225023 707849428 /nfs/dbraw/zinc/84/94/28/707849428.db2.gz CBTACCCAGWIRDX-SJORKVTESA-N 1 3 349.519 1.963 20 0 EDADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCF)C2 ZINC001040532714 708111887 /nfs/dbraw/zinc/11/18/87/708111887.db2.gz ZJEBGNTTZONUOP-WMZOPIPTSA-N 1 3 341.471 1.239 20 0 EDADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCF)C2 ZINC001040532714 708111889 /nfs/dbraw/zinc/11/18/89/708111889.db2.gz ZJEBGNTTZONUOP-WMZOPIPTSA-N 1 3 341.471 1.239 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658755 710587670 /nfs/dbraw/zinc/58/76/70/710587670.db2.gz FBFNBLRFKVTHEK-KZNAEPCWSA-N 1 3 347.507 1.812 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034694501 710768797 /nfs/dbraw/zinc/76/87/97/710768797.db2.gz VARCVFZLUWUMIA-RVKOJVRFSA-N 1 3 333.476 1.277 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)N1CCCC1 ZINC001034704210 710814323 /nfs/dbraw/zinc/81/43/23/710814323.db2.gz KGFICMGOYZUIIL-ULQDDVLXSA-N 1 3 337.508 1.914 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034733330 710913556 /nfs/dbraw/zinc/91/35/56/710913556.db2.gz AMOFTWLSFJEUIP-BRWVUGGUSA-N 1 3 333.480 1.242 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034787135 711092424 /nfs/dbraw/zinc/09/24/24/711092424.db2.gz YHPQITPMAGTMPK-JYJNAYRXSA-N 1 3 334.464 1.704 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC001004052383 711340344 /nfs/dbraw/zinc/34/03/44/711340344.db2.gz HSFZRUFDTHFRHD-HIFRSBDPSA-N 1 3 334.464 1.656 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1ccccn1 ZINC001034942333 711395116 /nfs/dbraw/zinc/39/51/16/711395116.db2.gz UMZJONXFFYWVTE-QZTJIDSGSA-N 1 3 328.460 1.504 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001034960559 711410473 /nfs/dbraw/zinc/41/04/73/711410473.db2.gz MMUSBOLHLXKEEM-HUUCEWRRSA-N 1 3 329.435 1.953 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1cncc(F)c1 ZINC001034941910 711447022 /nfs/dbraw/zinc/44/70/22/711447022.db2.gz RGXIEVWKLWYSLI-QZTJIDSGSA-N 1 3 346.450 1.643 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392737 711458340 /nfs/dbraw/zinc/45/83/40/711458340.db2.gz GVJPFPJUUBRXCX-VXNCWWDNSA-N 1 3 349.523 1.446 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392737 711458342 /nfs/dbraw/zinc/45/83/42/711458342.db2.gz GVJPFPJUUBRXCX-VXNCWWDNSA-N 1 3 349.523 1.446 20 0 EDADHO COC[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761661 214103668 /nfs/dbraw/zinc/10/36/68/214103668.db2.gz LCBWAUSCBUCNCE-AWEZNQCLSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccn1 ZINC000356253620 282109722 /nfs/dbraw/zinc/10/97/22/282109722.db2.gz LETXDJXPLWSZFC-LJQANCHMSA-N 1 3 346.475 1.580 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccn1 ZINC000356253620 282109723 /nfs/dbraw/zinc/10/97/23/282109723.db2.gz LETXDJXPLWSZFC-LJQANCHMSA-N 1 3 346.475 1.580 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366405704 295676686 /nfs/dbraw/zinc/67/66/86/295676686.db2.gz NRLLLMJOTYZPRH-JCYILVPMSA-N 1 3 338.496 1.149 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 ZINC000174621889 231259870 /nfs/dbraw/zinc/25/98/70/231259870.db2.gz JHVNKJPXWYKQCP-QGZVFWFLSA-N 1 3 336.480 1.143 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417743090 290725270 /nfs/dbraw/zinc/72/52/70/290725270.db2.gz WPKZWFIMNZZLFC-QGZVFWFLSA-N 1 3 330.476 1.479 20 0 EDADHO NC[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000561193564 306284173 /nfs/dbraw/zinc/28/41/73/306284173.db2.gz IDPMUCOSVZBVCM-SFHVURJKSA-N 1 3 327.428 1.724 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-n2cnnn2)c1 ZINC000150946614 539726297 /nfs/dbraw/zinc/72/62/97/539726297.db2.gz JOGXJVRHIJJJIK-OAHLLOKOSA-N 1 3 343.479 1.339 20 0 EDADHO CC[N@H+](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC000441014289 305216615 /nfs/dbraw/zinc/21/66/15/305216615.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 1 3 327.517 1.042 20 0 EDADHO CC[N@@H+](CCNC(=O)NCCN1CCN(C)C(C)(C)C1)C(C)C ZINC000441014289 305216616 /nfs/dbraw/zinc/21/66/16/305216616.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 1 3 327.517 1.042 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984118 539911871 /nfs/dbraw/zinc/91/18/71/539911871.db2.gz PQZSPDDLXVCTKE-KRWDZBQOSA-N 1 3 331.460 1.859 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000562789013 306308949 /nfs/dbraw/zinc/30/89/49/306308949.db2.gz IHJDFVCANNNECP-QFBILLFUSA-N 1 3 344.503 1.991 20 0 EDADHO CCCN(C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000417742238 283002236 /nfs/dbraw/zinc/00/22/36/283002236.db2.gz VYMBBKCSBWEOJG-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418202808 295884370 /nfs/dbraw/zinc/88/43/70/295884370.db2.gz JJCMRLHAMWJAOK-JLJPHGGASA-N 1 3 336.455 1.768 20 0 EDADHO C[C@H]1CC(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000094071342 138295873 /nfs/dbraw/zinc/29/58/73/138295873.db2.gz MTGUQYHPDKSKKX-GJZGRUSLSA-N 1 3 337.508 1.865 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000563810225 306348168 /nfs/dbraw/zinc/34/81/68/306348168.db2.gz JSZHIBRAZQVSHD-QRVBRYPASA-N 1 3 343.471 1.618 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564318541 306358124 /nfs/dbraw/zinc/35/81/24/306358124.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564318541 306358125 /nfs/dbraw/zinc/35/81/25/306358125.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000129462479 223058877 /nfs/dbraw/zinc/05/88/77/223058877.db2.gz FCELFQGXFGIMCW-QGZVFWFLSA-N 1 3 348.491 1.720 20 0 EDADHO COc1ccc(C)cc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414479670 304118007 /nfs/dbraw/zinc/11/80/07/304118007.db2.gz HRZNDDLHBAKMFP-UHFFFAOYSA-N 1 3 347.503 1.890 20 0 EDADHO CCCn1nccc1C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414734338 304134688 /nfs/dbraw/zinc/13/46/88/304134688.db2.gz DNJCRNNPWHLBHH-MRXNPFEDSA-N 1 3 347.507 1.670 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000414743714 304136156 /nfs/dbraw/zinc/13/61/56/304136156.db2.gz VZDHXDZYELBGOA-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO Cc1ccc(OCC(=O)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414745981 304136451 /nfs/dbraw/zinc/13/64/51/304136451.db2.gz LDRKHNAAYGROQY-QZTJIDSGSA-N 1 3 345.487 1.906 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(-n2cccn2)c1 ZINC000415075475 304157813 /nfs/dbraw/zinc/15/78/13/304157813.db2.gz BNNRHNDCMNIWFF-JKSUJKDBSA-N 1 3 341.459 1.720 20 0 EDADHO CC(C)[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)C1(CO)CCCC1 ZINC000415108373 304160783 /nfs/dbraw/zinc/16/07/83/304160783.db2.gz QATIXINQAMVIDH-WBVHZDCISA-N 1 3 325.497 1.351 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000415137093 304163199 /nfs/dbraw/zinc/16/31/99/304163199.db2.gz DVGMERROUFWEDX-BBRMVZONSA-N 1 3 330.432 1.040 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000236725371 139029665 /nfs/dbraw/zinc/02/96/65/139029665.db2.gz TYMNPSYHARJJMG-INIZCTEOSA-N 1 3 325.497 1.853 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236750567 139030332 /nfs/dbraw/zinc/03/03/32/139030332.db2.gz KOYHNBMYOMIPFQ-MRXNPFEDSA-N 1 3 348.495 1.587 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236959753 139036477 /nfs/dbraw/zinc/03/64/77/139036477.db2.gz OKHXZTHDVSSSGH-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO CN(CCN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137181 139041843 /nfs/dbraw/zinc/04/18/43/139041843.db2.gz GDIKHLURMSEYMO-RTBURBONSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000237609499 139055587 /nfs/dbraw/zinc/05/55/87/139055587.db2.gz ZZTOWLLPNWPMTB-IRXDYDNUSA-N 1 3 336.524 1.665 20 0 EDADHO C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](N)c1ccccc1 ZINC000237608267 139055633 /nfs/dbraw/zinc/05/56/33/139055633.db2.gz SLZGKBUYHGEVMH-CRAIPNDOSA-N 1 3 332.492 1.465 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251790 304179233 /nfs/dbraw/zinc/17/92/33/304179233.db2.gz AFIWAQNRYOHFOK-KRWDZBQOSA-N 1 3 344.459 1.212 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000245930338 139090411 /nfs/dbraw/zinc/09/04/11/139090411.db2.gz SGZKYWPCHRQUDJ-CRAIPNDOSA-N 1 3 336.480 1.119 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000245912315 139089474 /nfs/dbraw/zinc/08/94/74/139089474.db2.gz JPSMADYWVMCSNA-QZTJIDSGSA-N 1 3 336.524 1.489 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000245912315 139089475 /nfs/dbraw/zinc/08/94/75/139089475.db2.gz JPSMADYWVMCSNA-QZTJIDSGSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C)C1 ZINC000246032345 139092885 /nfs/dbraw/zinc/09/28/85/139092885.db2.gz NTOXHNAIQNIBHN-GJZGRUSLSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C)C1 ZINC000246032345 139092886 /nfs/dbraw/zinc/09/28/86/139092886.db2.gz NTOXHNAIQNIBHN-GJZGRUSLSA-N 1 3 336.484 1.639 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC1(C)C ZINC000415305664 304190129 /nfs/dbraw/zinc/19/01/29/304190129.db2.gz WVANBABFCONTMY-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415314611 304192604 /nfs/dbraw/zinc/19/26/04/304192604.db2.gz GRSXNRSGHFOFCP-QGZVFWFLSA-N 1 3 344.459 1.431 20 0 EDADHO C[C@@H]1CC[N@H+](CCC(=O)N2CCNCC2)CCN1Cc1ccccc1 ZINC000262074884 139248867 /nfs/dbraw/zinc/24/88/67/139248867.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1CC[N@@H+](CCC(=O)N2CCNCC2)CCN1Cc1ccccc1 ZINC000262074884 139248868 /nfs/dbraw/zinc/24/88/68/139248868.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1CCN(CCC(=O)N2CCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262074884 139248869 /nfs/dbraw/zinc/24/88/69/139248869.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO C[C@@H]1CCN(CCC(=O)N2CCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000262074884 139248870 /nfs/dbraw/zinc/24/88/70/139248870.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 1 3 344.503 1.405 20 0 EDADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000262121123 139252617 /nfs/dbraw/zinc/25/26/17/139252617.db2.gz JWXQAQOIQYTGPL-CXAGYDPISA-N 1 3 333.480 1.924 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416009539 251046280 /nfs/dbraw/zinc/04/62/80/251046280.db2.gz PIQJOTHDJMBFFF-VXGBXAGGSA-N 1 3 340.390 1.018 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417020149 251134991 /nfs/dbraw/zinc/13/49/91/251134991.db2.gz RRRFTIDZBWKLQH-CRAIPNDOSA-N 1 3 330.476 1.814 20 0 EDADHO CC[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417023647 251136473 /nfs/dbraw/zinc/13/64/73/251136473.db2.gz WBYKLGIGLZQZFN-ZWKOTPCHSA-N 1 3 330.476 1.860 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]12 ZINC000417021062 251136665 /nfs/dbraw/zinc/13/66/65/251136665.db2.gz JTODVOZJMJCJRO-GBESFXJTSA-N 1 3 342.487 1.814 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417026183 251139678 /nfs/dbraw/zinc/13/96/78/251139678.db2.gz SMMMFXVJHJGSSA-KRWDZBQOSA-N 1 3 347.507 1.231 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417317100 251156322 /nfs/dbraw/zinc/15/63/22/251156322.db2.gz VNYCGIMCMKYYNZ-MJGOQNOKSA-N 1 3 330.476 1.993 20 0 EDADHO C[C@H](C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364628 139273432 /nfs/dbraw/zinc/27/34/32/139273432.db2.gz KVAIEMDQKVSTNJ-KXBFYZLASA-N 1 3 345.487 1.404 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438653 251174668 /nfs/dbraw/zinc/17/46/68/251174668.db2.gz KBWLQTGWUCBTEJ-GOSISDBHSA-N 1 3 344.459 1.717 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573027 251192580 /nfs/dbraw/zinc/19/25/80/251192580.db2.gz WHPBOKSKGZBPLG-ZWKOTPCHSA-N 1 3 348.491 1.877 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417634262 251210289 /nfs/dbraw/zinc/21/02/89/251210289.db2.gz VHRCXGMMIKWLFR-KBMXLJTQSA-N 1 3 334.464 1.090 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000417751092 251254290 /nfs/dbraw/zinc/25/42/90/251254290.db2.gz LBFXOAZZESKFHB-HOTGVXAUSA-N 1 3 327.517 1.077 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000417792422 251272549 /nfs/dbraw/zinc/27/25/49/251272549.db2.gz KCLBLICHIJRQJR-KBPBESRZSA-N 1 3 330.423 1.547 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000417792422 251272553 /nfs/dbraw/zinc/27/25/53/251272553.db2.gz KCLBLICHIJRQJR-KBPBESRZSA-N 1 3 330.423 1.547 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417798851 251274315 /nfs/dbraw/zinc/27/43/15/251274315.db2.gz AXJBQIWQYHVZAR-CABCVRRESA-N 1 3 326.485 1.255 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823467 251284910 /nfs/dbraw/zinc/28/49/10/251284910.db2.gz KXDAOVUBAURHSX-NQYYFHDYSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CN1Cc1ccccc1 ZINC000417880066 251310781 /nfs/dbraw/zinc/31/07/81/251310781.db2.gz SJRPSECCPNDSGM-OWYHZJEWSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077156 251321438 /nfs/dbraw/zinc/32/14/38/251321438.db2.gz SOXDGVGSXGFRTQ-RDJZCZTQSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000418109434 251324526 /nfs/dbraw/zinc/32/45/26/251324526.db2.gz CSRNTOYLLOPDLL-YYIAUSFCSA-N 1 3 338.496 1.175 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000262620088 139290690 /nfs/dbraw/zinc/29/06/90/139290690.db2.gz DRYRHSUTXXWMQS-INIZCTEOSA-N 1 3 334.464 1.824 20 0 EDADHO C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C)CC1 ZINC000262729305 139299527 /nfs/dbraw/zinc/29/95/27/139299527.db2.gz HUWBGNTXLJQPLC-JKSUJKDBSA-N 1 3 333.480 1.658 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1CN(C)C ZINC000415594413 304235208 /nfs/dbraw/zinc/23/52/08/304235208.db2.gz KQYBLTPOCNVCPY-USXIJHARSA-N 1 3 344.459 1.191 20 0 EDADHO C[C@]1(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)NC(=O)NC1=O ZINC000422874697 252008616 /nfs/dbraw/zinc/00/86/16/252008616.db2.gz AOSGVOSFWYAIEK-IIDMSEBBSA-N 1 3 330.432 1.491 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000262894271 139311035 /nfs/dbraw/zinc/31/10/35/139311035.db2.gz XDNVHRQHILETLR-APWZRJJASA-N 1 3 344.503 1.945 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897022 252015748 /nfs/dbraw/zinc/01/57/48/252015748.db2.gz BCZLUIBUBONONL-UKPHBRMFSA-N 1 3 347.459 1.289 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423042663 252027986 /nfs/dbraw/zinc/02/79/86/252027986.db2.gz LMXFRTFXWMORPA-DSLXNQLJSA-N 1 3 345.487 1.780 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344310 252047579 /nfs/dbraw/zinc/04/75/79/252047579.db2.gz XPGIHMNGNXRLDN-GJZGRUSLSA-N 1 3 333.480 1.349 20 0 EDADHO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@H](N2CCCC2)C1 ZINC000423346831 252047658 /nfs/dbraw/zinc/04/76/58/252047658.db2.gz PTHXGLWZHDQXSW-GJZGRUSLSA-N 1 3 331.464 1.577 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424142122 252141559 /nfs/dbraw/zinc/14/15/59/252141559.db2.gz UYBYSVTVQWHJQE-CVEARBPZSA-N 1 3 342.447 1.235 20 0 EDADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154498 252147581 /nfs/dbraw/zinc/14/75/81/252147581.db2.gz MNQIBSHADQIBNI-DGCLKSJQSA-N 1 3 340.431 1.340 20 0 EDADHO CC(C)N1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130288 252134563 /nfs/dbraw/zinc/13/45/63/252134563.db2.gz HIMAIVKUMPDIBX-HNNXBMFYSA-N 1 3 334.468 1.147 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)nc12 ZINC000424285048 252190599 /nfs/dbraw/zinc/19/05/99/252190599.db2.gz DZEULQKJXLDLSU-OAHLLOKOSA-N 1 3 326.444 1.967 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424476024 252246001 /nfs/dbraw/zinc/24/60/01/252246001.db2.gz ZUEZOMNLMDAVPM-INIZCTEOSA-N 1 3 332.448 1.383 20 0 EDADHO COCCN1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358046402 285011981 /nfs/dbraw/zinc/01/19/81/285011981.db2.gz ZFSWRQIXROYBOM-IRXDYDNUSA-N 1 3 327.513 1.576 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000153588290 224126902 /nfs/dbraw/zinc/12/69/02/224126902.db2.gz FTNFDEVFQGNLCH-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO C[C@@]1(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000430709773 254513960 /nfs/dbraw/zinc/51/39/60/254513960.db2.gz ZCPXLHAHJFNZLQ-LJQANCHMSA-N 1 3 331.460 1.777 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN(C)CCOC)c1 ZINC000263765818 139358877 /nfs/dbraw/zinc/35/88/77/139358877.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 1 3 336.480 1.516 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN(C)CCOC)c1 ZINC000263765818 139358878 /nfs/dbraw/zinc/35/88/78/139358878.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 1 3 336.480 1.516 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740395 255260152 /nfs/dbraw/zinc/26/01/52/255260152.db2.gz PGVLWTMRVMWRGS-GASCZTMLSA-N 1 3 334.464 1.511 20 0 EDADHO C[NH+](C)CCOC1CCN(CCCNC(=O)OC(C)(C)C)CC1 ZINC000496353593 255385426 /nfs/dbraw/zinc/38/54/26/255385426.db2.gz AGYXUXJGJIITGW-UHFFFAOYSA-N 1 3 329.485 1.944 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578497 285276582 /nfs/dbraw/zinc/27/65/82/285276582.db2.gz LENUQFOMEIJFQA-KRWDZBQOSA-N 1 3 349.523 1.834 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578497 285276588 /nfs/dbraw/zinc/27/65/88/285276588.db2.gz LENUQFOMEIJFQA-KRWDZBQOSA-N 1 3 349.523 1.834 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000118879801 221200719 /nfs/dbraw/zinc/20/07/19/221200719.db2.gz VHDGEDPWDWCHQX-MRXNPFEDSA-N 1 3 335.492 1.622 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000118879801 221200720 /nfs/dbraw/zinc/20/07/20/221200720.db2.gz VHDGEDPWDWCHQX-MRXNPFEDSA-N 1 3 335.492 1.622 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003227 285321666 /nfs/dbraw/zinc/32/16/66/285321666.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003227 285321667 /nfs/dbraw/zinc/32/16/67/285321667.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000417308811 285324225 /nfs/dbraw/zinc/32/42/25/285324225.db2.gz IESAXHUMROBBDH-HKUYNNGSSA-N 1 3 348.491 1.666 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267290573 139594980 /nfs/dbraw/zinc/59/49/80/139594980.db2.gz XQOZQCIGWMWXMY-YSIASYRMSA-N 1 3 347.503 1.495 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@@H]1[NH+](C)C ZINC000270590462 140129714 /nfs/dbraw/zinc/12/97/14/140129714.db2.gz CDKAAHVAMSDBRS-HOCLYGCPSA-N 1 3 349.479 1.114 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000333082437 141260613 /nfs/dbraw/zinc/26/06/13/141260613.db2.gz AYVSTHMITXUARD-UHFFFAOYSA-N 1 3 345.491 1.964 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333833151 141390621 /nfs/dbraw/zinc/39/06/21/141390621.db2.gz JTVFSHRVMRIWKU-CGTJXYLNSA-N 1 3 337.508 1.852 20 0 EDADHO CC[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)N(CC)CC ZINC000345319694 143077470 /nfs/dbraw/zinc/07/74/70/143077470.db2.gz YBCNOVRGQNMEHA-INIZCTEOSA-N 1 3 340.512 1.166 20 0 EDADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345726851 143126192 /nfs/dbraw/zinc/12/61/92/143126192.db2.gz YSGOZKWCQGQIKW-LBPRGKRZSA-N 1 3 328.363 1.498 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)N(C)C1 ZINC000346700960 143234213 /nfs/dbraw/zinc/23/42/13/143234213.db2.gz JBFNEWMVTSBBTC-HOTGVXAUSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(O)CCN(C)CC1 ZINC000347428087 143319858 /nfs/dbraw/zinc/31/98/58/143319858.db2.gz YVOIPRLJDAUDKZ-NSHDSACASA-N 1 3 331.258 1.080 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)N(C)C1 ZINC000348054223 143396184 /nfs/dbraw/zinc/39/61/84/143396184.db2.gz WYOKUMJNUKLGBN-HZPDHXFCSA-N 1 3 340.512 1.469 20 0 EDADHO CCCCOC(=O)CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000369766808 155168975 /nfs/dbraw/zinc/16/89/75/155168975.db2.gz ODNWTTHPLTUGRT-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000369766808 155168978 /nfs/dbraw/zinc/16/89/78/155168978.db2.gz ODNWTTHPLTUGRT-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000369766808 155168981 /nfs/dbraw/zinc/16/89/81/155168981.db2.gz ODNWTTHPLTUGRT-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000416840314 304350672 /nfs/dbraw/zinc/35/06/72/304350672.db2.gz LBLFZYCUFPBSBC-ULQDDVLXSA-N 1 3 334.464 1.044 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416845421 304351396 /nfs/dbraw/zinc/35/13/96/304351396.db2.gz RSAPHKYCVUMQFO-OKZBNKHCSA-N 1 3 328.460 1.512 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000340485809 149052688 /nfs/dbraw/zinc/05/26/88/149052688.db2.gz FZALPXMMMAXFFB-UHFFFAOYSA-N 1 3 348.491 1.211 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000340485809 149052693 /nfs/dbraw/zinc/05/26/93/149052693.db2.gz FZALPXMMMAXFFB-UHFFFAOYSA-N 1 3 348.491 1.211 20 0 EDADHO C[C@@H](CC[NH+]1CCN(C)CC1)NCc1ncc(CN(C)C)s1 ZINC000352743899 149145490 /nfs/dbraw/zinc/14/54/90/149145490.db2.gz XWEYUUPIFCFGPM-AWEZNQCLSA-N 1 3 325.526 1.320 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000416964679 304356450 /nfs/dbraw/zinc/35/64/50/304356450.db2.gz CHTUURVTXWXCQN-UHFFFAOYSA-N 1 3 332.448 1.346 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000416971691 304357797 /nfs/dbraw/zinc/35/77/97/304357797.db2.gz DPBGDBFQTNDGFO-NVXWUHKLSA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000416974144 304358776 /nfs/dbraw/zinc/35/87/76/304358776.db2.gz WJHDURLOPCZLSO-CGTJXYLNSA-N 1 3 346.475 1.506 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000416980134 304360584 /nfs/dbraw/zinc/36/05/84/304360584.db2.gz YEJADOXPZNXUFS-KRWDZBQOSA-N 1 3 346.475 1.663 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000416978664 304360236 /nfs/dbraw/zinc/36/02/36/304360236.db2.gz WDCSSQHCDYGOJP-MRXNPFEDSA-N 1 3 348.491 1.897 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)nc12 ZINC000357079107 150915935 /nfs/dbraw/zinc/91/59/35/150915935.db2.gz COMZIQLNYVZHPE-MRXNPFEDSA-N 1 3 326.444 1.824 20 0 EDADHO CO[C@H](C)[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000357725935 151127376 /nfs/dbraw/zinc/12/73/76/151127376.db2.gz FGAXKAMXIXHCGM-ZIAGYGMSSA-N 1 3 326.485 1.268 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357765892 151144047 /nfs/dbraw/zinc/14/40/47/151144047.db2.gz STTCAQBAEDYZLO-CQSZACIVSA-N 1 3 330.542 1.843 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357765892 151144049 /nfs/dbraw/zinc/14/40/49/151144049.db2.gz STTCAQBAEDYZLO-CQSZACIVSA-N 1 3 330.542 1.843 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357915131 151194023 /nfs/dbraw/zinc/19/40/23/151194023.db2.gz IPRFVIWCZOVCPT-SJORKVTESA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357915131 151194026 /nfs/dbraw/zinc/19/40/26/151194026.db2.gz IPRFVIWCZOVCPT-SJORKVTESA-N 1 3 341.544 1.432 20 0 EDADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000357926918 151198822 /nfs/dbraw/zinc/19/88/22/151198822.db2.gz KPIMINGKLWANIO-WSTZPKSXSA-N 1 3 343.471 1.224 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCNC(=O)c2ccco2)[C@H](C)C1 ZINC000358083065 151264495 /nfs/dbraw/zinc/26/44/95/151264495.db2.gz KLNUQDIVPABVRO-HZPDHXFCSA-N 1 3 337.464 1.736 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCNC(=O)c2ccco2)[C@H](C)C1 ZINC000358083065 151264496 /nfs/dbraw/zinc/26/44/96/151264496.db2.gz KLNUQDIVPABVRO-HZPDHXFCSA-N 1 3 337.464 1.736 20 0 EDADHO C[NH+](C)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000360123489 151916376 /nfs/dbraw/zinc/91/63/76/151916376.db2.gz HASTWCHQWKYVSN-UHFFFAOYSA-N 1 3 344.503 1.751 20 0 EDADHO C[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000360413605 152028385 /nfs/dbraw/zinc/02/83/85/152028385.db2.gz MAXHDQARPQEBRI-WBVHZDCISA-N 1 3 342.553 1.845 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)C[NH+]1CCCCC1 ZINC000360413603 152028865 /nfs/dbraw/zinc/02/88/65/152028865.db2.gz MAXHDQARPQEBRI-RDJZCZTQSA-N 1 3 342.553 1.845 20 0 EDADHO CCCN(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000360861923 152233588 /nfs/dbraw/zinc/23/35/88/152233588.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 1 3 333.476 1.601 20 0 EDADHO CCCN(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000360861923 152233589 /nfs/dbraw/zinc/23/35/89/152233589.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 1 3 333.476 1.601 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250400 152345486 /nfs/dbraw/zinc/34/54/86/152345486.db2.gz JBNVDWWJKYZORV-TZMCWYRMSA-N 1 3 331.420 1.737 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250400 152345488 /nfs/dbraw/zinc/34/54/88/152345488.db2.gz JBNVDWWJKYZORV-TZMCWYRMSA-N 1 3 331.420 1.737 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574152886 306643540 /nfs/dbraw/zinc/64/35/40/306643540.db2.gz DZLPKHHNBHZRJO-INIZCTEOSA-N 1 3 342.447 1.022 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCCCC[NH2+]2)ccc1OCCN(C)C ZINC000363687674 153029797 /nfs/dbraw/zinc/02/97/97/153029797.db2.gz PAHJGONXHNILAT-INIZCTEOSA-N 1 3 349.475 1.784 20 0 EDADHO CCc1nc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n[nH]1 ZINC000363830617 153069169 /nfs/dbraw/zinc/06/91/69/153069169.db2.gz VNIJQLDEJXHFQR-UHFFFAOYSA-N 1 3 348.539 1.995 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734809 153319055 /nfs/dbraw/zinc/31/90/55/153319055.db2.gz LGKBTGKAIRVLKG-OAFZBRQQSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734809 153319057 /nfs/dbraw/zinc/31/90/57/153319057.db2.gz LGKBTGKAIRVLKG-OAFZBRQQSA-N 1 3 337.508 1.756 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364740302 153320186 /nfs/dbraw/zinc/32/01/86/153320186.db2.gz QUZHXPDFRLNXGG-CVEARBPZSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364740302 153320187 /nfs/dbraw/zinc/32/01/87/153320187.db2.gz QUZHXPDFRLNXGG-CVEARBPZSA-N 1 3 331.460 1.984 20 0 EDADHO C[C@H](CN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209505 154041849 /nfs/dbraw/zinc/04/18/49/154041849.db2.gz RDRFWIOQCPFAQI-CABCVRRESA-N 1 3 328.522 1.863 20 0 EDADHO C[C@H](CN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209505 154041852 /nfs/dbraw/zinc/04/18/52/154041852.db2.gz RDRFWIOQCPFAQI-CABCVRRESA-N 1 3 328.522 1.863 20 0 EDADHO CN1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)[C@H]1c1ccccc1 ZINC000367483452 154144575 /nfs/dbraw/zinc/14/45/75/154144575.db2.gz MOAYPODFLZUFOY-HZPDHXFCSA-N 1 3 325.478 1.208 20 0 EDADHO COC(=O)c1coc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367622520 154202201 /nfs/dbraw/zinc/20/22/01/154202201.db2.gz IMAPACKJQLTZJB-MRXNPFEDSA-N 1 3 335.448 1.667 20 0 EDADHO CCCn1c(C)nnc1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367669131 154221748 /nfs/dbraw/zinc/22/17/48/154221748.db2.gz AEQDONOCWQVYHZ-KRWDZBQOSA-N 1 3 334.512 1.597 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000367975472 154350674 /nfs/dbraw/zinc/35/06/74/154350674.db2.gz ACNDUWFTSOMKDI-ZWKOTPCHSA-N 1 3 337.508 1.628 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCCO1 ZINC000368067168 154394649 /nfs/dbraw/zinc/39/46/49/154394649.db2.gz VEPPVDNRPQGISU-FUHWJXTLSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCCO1 ZINC000368067168 154394652 /nfs/dbraw/zinc/39/46/52/154394652.db2.gz VEPPVDNRPQGISU-FUHWJXTLSA-N 1 3 338.496 1.225 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)CC1 ZINC000574634958 306654476 /nfs/dbraw/zinc/65/44/76/306654476.db2.gz HQGFRDRTCMQKCM-ZHALLVOQSA-N 1 3 336.524 1.521 20 0 EDADHO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371598336 156024116 /nfs/dbraw/zinc/02/41/16/156024116.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371598336 156024117 /nfs/dbraw/zinc/02/41/17/156024117.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 1 3 345.491 1.687 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000369795966 292335159 /nfs/dbraw/zinc/33/51/59/292335159.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000369795966 292335162 /nfs/dbraw/zinc/33/51/62/292335162.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000417502707 304400660 /nfs/dbraw/zinc/40/06/60/304400660.db2.gz BTHCAHKISSWUJK-MRXNPFEDSA-N 1 3 334.464 1.173 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000372420699 156381209 /nfs/dbraw/zinc/38/12/09/156381209.db2.gz NCRZACSKUUKGLF-SOLBZPMBSA-N 1 3 337.508 1.819 20 0 EDADHO CCN(CC)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373982846 157093562 /nfs/dbraw/zinc/09/35/62/157093562.db2.gz NMNVVVFYVDZHGV-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374298194 157230030 /nfs/dbraw/zinc/23/00/30/157230030.db2.gz UKDPNJANNAWMTD-YJBOKZPZSA-N 1 3 330.476 1.243 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374298194 157230032 /nfs/dbraw/zinc/23/00/32/157230032.db2.gz UKDPNJANNAWMTD-YJBOKZPZSA-N 1 3 330.476 1.243 20 0 EDADHO CN(CC(=O)N1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778614 157397143 /nfs/dbraw/zinc/39/71/43/157397143.db2.gz JIXOIXGGVNWQLV-UHFFFAOYSA-N 1 3 332.448 1.089 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953630 158038011 /nfs/dbraw/zinc/03/80/11/158038011.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 1 3 342.503 1.295 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953630 158038012 /nfs/dbraw/zinc/03/80/12/158038012.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 1 3 342.503 1.295 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418170342 304458752 /nfs/dbraw/zinc/45/87/52/304458752.db2.gz SALHVFMIQVEHLW-RRFJBIMHSA-N 1 3 338.452 1.387 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CCN(C2CCCC2)CC1 ZINC000418323951 304479566 /nfs/dbraw/zinc/47/95/66/304479566.db2.gz GGDYXUOAADHKIB-UHFFFAOYSA-N 1 3 345.491 1.831 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418358818 304485613 /nfs/dbraw/zinc/48/56/13/304485613.db2.gz DVQHVTPGFZWJFT-CYBMUJFWSA-N 1 3 326.391 1.400 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665762509 452339676 /nfs/dbraw/zinc/33/96/76/452339676.db2.gz GWTJRWULESZNLZ-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](C)C1 ZINC000665762509 452339684 /nfs/dbraw/zinc/33/96/84/452339684.db2.gz GWTJRWULESZNLZ-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000665763937 452347979 /nfs/dbraw/zinc/34/79/79/452347979.db2.gz POSZNIWFPGVJAX-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@H](C)O1 ZINC000665763937 452347989 /nfs/dbraw/zinc/34/79/89/452347989.db2.gz POSZNIWFPGVJAX-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418496773 304503373 /nfs/dbraw/zinc/50/33/73/304503373.db2.gz GHAPPQXHYGOQFS-MSOLQXFVSA-N 1 3 341.459 1.042 20 0 EDADHO COCCNCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000237176732 273008487 /nfs/dbraw/zinc/00/84/87/273008487.db2.gz WZTBLHUMURCOSP-MRXNPFEDSA-N 1 3 349.475 1.239 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000274490034 268149355 /nfs/dbraw/zinc/14/93/55/268149355.db2.gz FERHVMNDQILOIN-UHFFFAOYSA-N 1 3 344.503 1.821 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCC2([NH+](C)C)CCC2)ccn1 ZINC000275462055 268346381 /nfs/dbraw/zinc/34/63/81/268346381.db2.gz NMEPQBMCUNWQNC-UHFFFAOYSA-N 1 3 349.479 1.306 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000275543905 268358043 /nfs/dbraw/zinc/35/80/43/268358043.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 1 3 336.432 1.096 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCN(C)C2)cc1 ZINC000275543905 268358045 /nfs/dbraw/zinc/35/80/45/268358045.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 1 3 336.432 1.096 20 0 EDADHO CN(C)CCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)c1ccccc1 ZINC000278931988 273273304 /nfs/dbraw/zinc/27/33/04/273273304.db2.gz FEXVNKMBLVWUHQ-CQSZACIVSA-N 1 3 327.432 1.695 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188716479 273639301 /nfs/dbraw/zinc/63/93/01/273639301.db2.gz GEIUZOWGZQYHOA-UHFFFAOYSA-N 1 3 341.459 1.827 20 0 EDADHO COCCN1CC[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000283900658 274003566 /nfs/dbraw/zinc/00/35/66/274003566.db2.gz HUQHQZLKBDCVJF-GOSISDBHSA-N 1 3 347.503 1.970 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000423357612 275666486 /nfs/dbraw/zinc/66/64/86/275666486.db2.gz MJZYVBKHGQEHHG-WMLDXEAASA-N 1 3 348.491 1.214 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365088794 276095947 /nfs/dbraw/zinc/09/59/47/276095947.db2.gz OHQREXSVOQXFOB-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637686 276364381 /nfs/dbraw/zinc/36/43/81/276364381.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637686 276364383 /nfs/dbraw/zinc/36/43/83/276364383.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781407 277165558 /nfs/dbraw/zinc/16/55/58/277165558.db2.gz KWPCYUXHRKBDSH-IKGGRYGDSA-N 1 3 332.448 1.191 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000119591691 277393739 /nfs/dbraw/zinc/39/37/39/277393739.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000119591691 277393740 /nfs/dbraw/zinc/39/37/40/277393740.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CCN(CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CC1 ZINC000342346791 279192159 /nfs/dbraw/zinc/19/21/59/279192159.db2.gz IVHLSQYNQACGRN-INIZCTEOSA-N 1 3 325.522 1.804 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)NCCC[NH2+]C)CC1 ZINC000417000765 279363502 /nfs/dbraw/zinc/36/35/02/279363502.db2.gz ZHZLYIAZXGFEOE-UHFFFAOYSA-N 1 3 347.507 1.233 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000342721678 288152217 /nfs/dbraw/zinc/15/22/17/288152217.db2.gz AHUQJMZWEKUYBH-KYHPRHEASA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C[C@H](C)O1 ZINC000422913361 288161362 /nfs/dbraw/zinc/16/13/62/288161362.db2.gz PUKCLVDUFFBQIS-CYGHRXIMSA-N 1 3 325.497 1.232 20 0 EDADHO CC(C)[C@H](CNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCC(C)CC1 ZINC000333910232 280243668 /nfs/dbraw/zinc/24/36/68/280243668.db2.gz DWFHKIZFTLSGMM-INIZCTEOSA-N 1 3 338.496 1.127 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000359658843 280322312 /nfs/dbraw/zinc/32/23/12/280322312.db2.gz RQZJSBOUAUOYSV-NJAFHUGGSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1C ZINC000664216256 452891106 /nfs/dbraw/zinc/89/11/06/452891106.db2.gz GEALTCBYQCYNQC-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000342594806 289197820 /nfs/dbraw/zinc/19/78/20/289197820.db2.gz WRKXCBSZEXNZGA-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@@H](N)c1ccccc1 ZINC000262774924 289269262 /nfs/dbraw/zinc/26/92/62/289269262.db2.gz KRBZEJMGDQVJQB-QILLFSRXSA-N 1 3 346.475 1.169 20 0 EDADHO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CCN(C2CC2)C1 ZINC000360748588 289341483 /nfs/dbraw/zinc/34/14/83/289341483.db2.gz XBJQJAFMEFPMBA-GOEBONIOSA-N 1 3 326.510 1.302 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748772 289399967 /nfs/dbraw/zinc/39/99/67/289399967.db2.gz XRUSBEQIRBFURI-RDJZCZTQSA-N 1 3 340.537 1.694 20 0 EDADHO NC[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000343435855 295241983 /nfs/dbraw/zinc/24/19/83/295241983.db2.gz KYFSCAIVIVLATP-NWDGAFQWSA-N 1 3 334.420 1.779 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419431273 304612823 /nfs/dbraw/zinc/61/28/23/304612823.db2.gz XEBFKTOGVVURTP-BZUAXINKSA-N 1 3 340.512 1.104 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357085957 304660836 /nfs/dbraw/zinc/66/08/36/304660836.db2.gz QVWBLJYLCCWQSR-HNNXBMFYSA-N 1 3 334.464 1.173 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419645648 447316570 /nfs/dbraw/zinc/31/65/70/447316570.db2.gz PMTPJDGOKRUORH-QGZVFWFLSA-N 1 3 348.491 1.196 20 0 EDADHO Cn1nccc1[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994503 303083983 /nfs/dbraw/zinc/08/39/83/303083983.db2.gz BSAMCOCIOCTGEA-YJBOKZPZSA-N 1 3 331.464 1.298 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000664758518 453381434 /nfs/dbraw/zinc/38/14/34/453381434.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000664758518 453381440 /nfs/dbraw/zinc/38/14/40/453381440.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1CN)C(C)C ZINC000419665478 447331602 /nfs/dbraw/zinc/33/16/02/447331602.db2.gz OPBCCVQVBOGKLR-JKSUJKDBSA-N 1 3 340.512 1.197 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN(CC)C1CC1 ZINC000414890263 447344628 /nfs/dbraw/zinc/34/46/28/447344628.db2.gz ZIVPCMVECCVPFD-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccn(CC)c2=O)CC[NH2+]CC1 ZINC000423083825 304884889 /nfs/dbraw/zinc/88/48/89/304884889.db2.gz HCXFQCWJZCIULO-AWEZNQCLSA-N 1 3 335.448 1.279 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117765 304887443 /nfs/dbraw/zinc/88/74/43/304887443.db2.gz WZUPAYSSZWWBPG-ZWNOBZJWSA-N 1 3 349.859 1.474 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428699907 305015030 /nfs/dbraw/zinc/01/50/30/305015030.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 1 3 333.476 1.424 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428699907 305015031 /nfs/dbraw/zinc/01/50/31/305015031.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 1 3 333.476 1.424 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430539000 305055867 /nfs/dbraw/zinc/05/58/67/305055867.db2.gz DAEVZCWUEDCIQP-DLBZAZTESA-N 1 3 345.491 1.180 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430603379 305058251 /nfs/dbraw/zinc/05/82/51/305058251.db2.gz YNNYHRCYFGJFFW-UHFFFAOYSA-N 1 3 340.855 1.684 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)CN ZINC000430603379 305058252 /nfs/dbraw/zinc/05/82/52/305058252.db2.gz YNNYHRCYFGJFFW-UHFFFAOYSA-N 1 3 340.855 1.684 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)CN ZINC000430603379 305058253 /nfs/dbraw/zinc/05/82/53/305058253.db2.gz YNNYHRCYFGJFFW-UHFFFAOYSA-N 1 3 340.855 1.684 20 0 EDADHO C[C@@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000430704564 305062874 /nfs/dbraw/zinc/06/28/74/305062874.db2.gz NQHIMGVZCDWOJP-LJQANCHMSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000430704563 305062879 /nfs/dbraw/zinc/06/28/79/305062879.db2.gz NQHIMGVZCDWOJP-IBGZPJMESA-N 1 3 344.459 1.322 20 0 EDADHO Cc1c(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878667 305066631 /nfs/dbraw/zinc/06/66/31/305066631.db2.gz KAYXGRGJKUEPNN-KBPBESRZSA-N 1 3 348.495 1.504 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205108 305076581 /nfs/dbraw/zinc/07/65/81/305076581.db2.gz XDIYXWPLCODDQK-INIZCTEOSA-N 1 3 326.485 1.272 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000433188322 305102437 /nfs/dbraw/zinc/10/24/37/305102437.db2.gz QGALBOHCOCQEGX-GOSISDBHSA-N 1 3 344.503 1.977 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327860 305105862 /nfs/dbraw/zinc/10/58/62/305105862.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000433327860 305105861 /nfs/dbraw/zinc/10/58/61/305105861.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385578 305107347 /nfs/dbraw/zinc/10/73/47/305107347.db2.gz YSKOEDCZGMVHQR-CABCVRRESA-N 1 3 348.495 1.443 20 0 EDADHO CC(C)N1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870543 305114289 /nfs/dbraw/zinc/11/42/89/305114289.db2.gz RCEZBTCEOOECQZ-WMLDXEAASA-N 1 3 339.505 1.755 20 0 EDADHO CCN(CC)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435566588 305142567 /nfs/dbraw/zinc/14/25/67/305142567.db2.gz OAQGMUOHCGTSEJ-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236237 305154714 /nfs/dbraw/zinc/15/47/14/305154714.db2.gz FCQCRDXLUAVLBW-ZDUSSCGKSA-N 1 3 347.488 1.815 20 0 EDADHO C[C@H](Cc1ccccc1F)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000438201375 305182971 /nfs/dbraw/zinc/18/29/71/305182971.db2.gz PQZODCKCVYUCJE-QGZVFWFLSA-N 1 3 337.483 1.736 20 0 EDADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000443067444 305234373 /nfs/dbraw/zinc/23/43/73/305234373.db2.gz GQRQCBYRZOSFSW-QWHCGFSZSA-N 1 3 336.411 1.923 20 0 EDADHO C[C@H](CCCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000447126220 305274137 /nfs/dbraw/zinc/27/41/37/305274137.db2.gz WLXBXDLOHBCFRW-CQSZACIVSA-N 1 3 326.485 1.005 20 0 EDADHO COc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000449312503 305310982 /nfs/dbraw/zinc/31/09/82/305310982.db2.gz RDNVHOOKIVYPOB-ZTFGCOKTSA-N 1 3 331.460 1.804 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361298 305392621 /nfs/dbraw/zinc/39/26/21/305392621.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361298 305392622 /nfs/dbraw/zinc/39/26/22/305392622.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 1 3 337.508 1.747 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000518164247 305759317 /nfs/dbraw/zinc/75/93/17/305759317.db2.gz DKHLUZPZUBJGLI-GOEBONIOSA-N 1 3 328.464 1.902 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000521583081 305790724 /nfs/dbraw/zinc/79/07/24/305790724.db2.gz BBCKHKMCSCZZNZ-HUUCEWRRSA-N 1 3 332.448 1.830 20 0 EDADHO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530995122 305950914 /nfs/dbraw/zinc/95/09/14/305950914.db2.gz ORQKSHACUXANPG-DLBZAZTESA-N 1 3 342.528 1.572 20 0 EDADHO C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000535013494 306010568 /nfs/dbraw/zinc/01/05/68/306010568.db2.gz WXVXURWHYQLLFH-KURKYZTESA-N 1 3 325.497 1.140 20 0 EDADHO C[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000535013494 306010569 /nfs/dbraw/zinc/01/05/69/306010569.db2.gz WXVXURWHYQLLFH-KURKYZTESA-N 1 3 325.497 1.140 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc(C2CCOCC2)n1 ZINC000548942950 306142567 /nfs/dbraw/zinc/14/25/67/306142567.db2.gz GEFVQBXFGGMLJZ-UHFFFAOYSA-N 1 3 338.452 1.134 20 0 EDADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)CN1CCN(C)CC1 ZINC000553157948 306183223 /nfs/dbraw/zinc/18/32/23/306183223.db2.gz GENUNDUHLMESOT-KRWDZBQOSA-N 1 3 346.519 1.404 20 0 EDADHO CCN1CCN(c2ccccc2CN[C@@H](CC[NH3+])C(F)F)CC1 ZINC000414987762 447387009 /nfs/dbraw/zinc/38/70/09/447387009.db2.gz JYMBOLGCJWNWFR-HNNXBMFYSA-N 1 3 326.435 1.901 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC(C)(C)C[NH+](C)C)ccn1 ZINC000458632108 447432493 /nfs/dbraw/zinc/43/24/93/447432493.db2.gz ZXHUOTVIGKKPJH-UHFFFAOYSA-N 1 3 337.468 1.161 20 0 EDADHO CC(C)[NH+](CCNC(=O)NCCCCN1CCN(C)CC1)C(C)C ZINC000103854396 441186374 /nfs/dbraw/zinc/18/63/74/441186374.db2.gz FKACZRZVWUCUQM-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2nccn2CC(F)(F)F)CC1 ZINC000105476211 441255921 /nfs/dbraw/zinc/25/59/21/441255921.db2.gz HLCHDOAKAQPSTP-UHFFFAOYSA-N 1 3 333.402 1.563 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2nccn2CC(F)(F)F)CC1 ZINC000105476211 441255925 /nfs/dbraw/zinc/25/59/25/441255925.db2.gz HLCHDOAKAQPSTP-UHFFFAOYSA-N 1 3 333.402 1.563 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073728516 441347225 /nfs/dbraw/zinc/34/72/25/441347225.db2.gz LJHFDJDSJMLDHL-KRWDZBQOSA-N 1 3 337.508 1.822 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073728516 441347229 /nfs/dbraw/zinc/34/72/29/441347229.db2.gz LJHFDJDSJMLDHL-KRWDZBQOSA-N 1 3 337.508 1.822 20 0 EDADHO CN(C(=O)C1CCN(Cc2cccnc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000073988152 441377769 /nfs/dbraw/zinc/37/77/69/441377769.db2.gz DDNMPZNXLQGKQB-SFHVURJKSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C(=O)C1CCN(Cc2cccnc2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988152 441377773 /nfs/dbraw/zinc/37/77/73/441377773.db2.gz DDNMPZNXLQGKQB-SFHVURJKSA-N 1 3 330.476 1.846 20 0 EDADHO COc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000050800496 441389920 /nfs/dbraw/zinc/38/99/20/441389920.db2.gz QBAHFVOMAMDGCQ-UHFFFAOYSA-N 1 3 332.448 1.379 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCCC1 ZINC000458655486 447440137 /nfs/dbraw/zinc/44/01/37/447440137.db2.gz PFOMEUVQIWOXPO-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914263 441645414 /nfs/dbraw/zinc/64/54/14/441645414.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914263 441645419 /nfs/dbraw/zinc/64/54/19/441645419.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 1 3 331.504 1.940 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914263 441645421 /nfs/dbraw/zinc/64/54/21/441645421.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 1 3 331.504 1.940 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091842960 441746880 /nfs/dbraw/zinc/74/68/80/441746880.db2.gz BZQGLWLIDRKYIH-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000458658936 447442005 /nfs/dbraw/zinc/44/20/05/447442005.db2.gz ONGVXVILRXWGAY-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000115810216 441780336 /nfs/dbraw/zinc/78/03/36/441780336.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000115810216 441780342 /nfs/dbraw/zinc/78/03/42/441780342.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)NC[C@@](C)(O)CN(C)C)CC1 ZINC000121865875 441798665 /nfs/dbraw/zinc/79/86/65/441798665.db2.gz NJSHZRLEJJPSFV-QGZVFWFLSA-N 1 3 328.501 1.110 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000121892474 441806101 /nfs/dbraw/zinc/80/61/01/441806101.db2.gz IWSDRVSNYVVHOS-NUJGCVRESA-N 1 3 342.528 1.356 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2)CC1 ZINC000118785746 441904202 /nfs/dbraw/zinc/90/42/02/441904202.db2.gz LJOAPVIWIJXRMU-UHFFFAOYSA-N 1 3 344.503 1.996 20 0 EDADHO Cc1cccc(C)c1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000125311889 442008007 /nfs/dbraw/zinc/00/80/07/442008007.db2.gz LGBYSJBVEVBHGL-UHFFFAOYSA-N 1 3 334.508 1.981 20 0 EDADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CCCO1 ZINC000162315990 442082995 /nfs/dbraw/zinc/08/29/95/442082995.db2.gz BJZJGEOQZYILHC-OKZBNKHCSA-N 1 3 333.476 1.953 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000176081710 442172448 /nfs/dbraw/zinc/17/24/48/442172448.db2.gz IFFNHOPMPSVCAC-INIZCTEOSA-N 1 3 346.475 1.405 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000166429828 442216171 /nfs/dbraw/zinc/21/61/71/442216171.db2.gz NCHAYNRLTPYWFD-IIAWOOMASA-N 1 3 325.497 1.708 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373594 442333237 /nfs/dbraw/zinc/33/32/37/442333237.db2.gz FOWUTSCYVYHKOY-QGZVFWFLSA-N 1 3 338.540 1.735 20 0 EDADHO CC(C)NC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000129241448 442307926 /nfs/dbraw/zinc/30/79/26/442307926.db2.gz MHVRRODPTGZDAI-UHFFFAOYSA-N 1 3 348.491 1.390 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCCN1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155016128 442371241 /nfs/dbraw/zinc/37/12/41/442371241.db2.gz HMALNZFTQXDEMM-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000177870209 442392410 /nfs/dbraw/zinc/39/24/10/442392410.db2.gz QZGMHSYULGZYRS-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCCOC)CC2)C1 ZINC000177870209 442392412 /nfs/dbraw/zinc/39/24/12/442392412.db2.gz QZGMHSYULGZYRS-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCN(CCCC[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192439161 442646465 /nfs/dbraw/zinc/64/64/65/442646465.db2.gz LNGMJMBDBUVVSE-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000173186067 442619986 /nfs/dbraw/zinc/61/99/86/442619986.db2.gz RMKZIHDJVPZTFG-KRWDZBQOSA-N 1 3 344.503 1.900 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000173186067 442619993 /nfs/dbraw/zinc/61/99/93/442619993.db2.gz RMKZIHDJVPZTFG-KRWDZBQOSA-N 1 3 344.503 1.900 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000193548097 442752607 /nfs/dbraw/zinc/75/26/07/442752607.db2.gz GABDTIWERJCHAB-IEBWSBKVSA-N 1 3 344.503 1.764 20 0 EDADHO C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[N@H+](C)Cc1ccccc1 ZINC000188770028 442809244 /nfs/dbraw/zinc/80/92/44/442809244.db2.gz TZCXKFVHOUUXGU-ZDUSSCGKSA-N 1 3 327.432 1.306 20 0 EDADHO C[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)[N@@H+](C)Cc1ccccc1 ZINC000188770028 442809247 /nfs/dbraw/zinc/80/92/47/442809247.db2.gz TZCXKFVHOUUXGU-ZDUSSCGKSA-N 1 3 327.432 1.306 20 0 EDADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000268041884 442826840 /nfs/dbraw/zinc/82/68/40/442826840.db2.gz QKQCYSNJGGLQSJ-HNNXBMFYSA-N 1 3 338.452 1.074 20 0 EDADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188959717 442849502 /nfs/dbraw/zinc/84/95/02/442849502.db2.gz CSDGOLHAPDLUOV-UHFFFAOYSA-N 1 3 345.422 1.399 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccncc3)CC2)CC1 ZINC000268547513 443029892 /nfs/dbraw/zinc/02/98/92/443029892.db2.gz FVCSOUKCZIWNDZ-UHFFFAOYSA-N 1 3 345.491 1.482 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000249731323 443002251 /nfs/dbraw/zinc/00/22/51/443002251.db2.gz AHMPRSBBNLGPOR-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000249731323 443002255 /nfs/dbraw/zinc/00/22/55/443002255.db2.gz AHMPRSBBNLGPOR-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623088019 450398600 /nfs/dbraw/zinc/39/86/00/450398600.db2.gz SNXYHSBZYSLGAA-QUCCMNQESA-N 1 3 332.536 1.980 20 0 EDADHO C[C@](NCC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000297338762 318761057 /nfs/dbraw/zinc/76/10/57/318761057.db2.gz JMQNVLLGTRBOIS-OAHLLOKOSA-N 1 3 329.366 1.995 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000236708787 443145404 /nfs/dbraw/zinc/14/54/04/443145404.db2.gz LBUIGHQJOOVDDE-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000236708787 443145408 /nfs/dbraw/zinc/14/54/08/443145408.db2.gz LBUIGHQJOOVDDE-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266446173 443129484 /nfs/dbraw/zinc/12/94/84/443129484.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266446173 443129487 /nfs/dbraw/zinc/12/94/87/443129487.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236997170 443155851 /nfs/dbraw/zinc/15/58/51/443155851.db2.gz DLATVZUGJGMIIC-FUHWJXTLSA-N 1 3 330.476 1.686 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000237163035 443162479 /nfs/dbraw/zinc/16/24/79/443162479.db2.gz KQLNRJKWNUSCEF-IBGZPJMESA-N 1 3 344.503 1.263 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000237163035 443162481 /nfs/dbraw/zinc/16/24/81/443162481.db2.gz KQLNRJKWNUSCEF-IBGZPJMESA-N 1 3 344.503 1.263 20 0 EDADHO COc1cc(CNC(=O)C[NH2+]CC2CC2)ccc1OCCN(C)C ZINC000269229008 443241837 /nfs/dbraw/zinc/24/18/37/443241837.db2.gz BJROMXLPNBBLER-UHFFFAOYSA-N 1 3 335.448 1.251 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000262670126 443207390 /nfs/dbraw/zinc/20/73/90/443207390.db2.gz RFKYCUDTZFHGMO-LJQANCHMSA-N 1 3 344.503 1.670 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465522 319134886 /nfs/dbraw/zinc/13/48/86/319134886.db2.gz STHBOBBNKRWUCF-ILXRZTDVSA-N 1 3 329.444 1.978 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)ccc1CN(C)C ZINC000411554533 319183848 /nfs/dbraw/zinc/18/38/48/319183848.db2.gz TZHNORCEMFOTPI-CYBMUJFWSA-N 1 3 334.464 1.309 20 0 EDADHO Cc1cccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414681460 319341307 /nfs/dbraw/zinc/34/13/07/319341307.db2.gz PHRGTAPAWREWBL-QGZVFWFLSA-N 1 3 330.476 1.314 20 0 EDADHO COc1cccc(CC(=O)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414683855 319341773 /nfs/dbraw/zinc/34/17/73/319341773.db2.gz CBXVSNOXRQSYFM-WMZOPIPTSA-N 1 3 345.487 1.770 20 0 EDADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693488 319343462 /nfs/dbraw/zinc/34/34/62/319343462.db2.gz RTHSJWAMENMQKB-WMZOPIPTSA-N 1 3 345.487 1.899 20 0 EDADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693488 319343464 /nfs/dbraw/zinc/34/34/64/319343464.db2.gz RTHSJWAMENMQKB-WMZOPIPTSA-N 1 3 345.487 1.899 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Cn3cccn3)c2)C1 ZINC000415086210 319346438 /nfs/dbraw/zinc/34/64/38/319346438.db2.gz RQTQMTLSEJZWHL-SFHVURJKSA-N 1 3 341.459 1.218 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000415971141 319386136 /nfs/dbraw/zinc/38/61/36/319386136.db2.gz JMDMAXVOAKSVDS-QGZVFWFLSA-N 1 3 334.464 1.981 20 0 EDADHO CN1CCC(O)(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416158474 319393618 /nfs/dbraw/zinc/39/36/18/319393618.db2.gz GBKHSQCWOKKJTG-UHFFFAOYSA-N 1 3 331.460 1.008 20 0 EDADHO CN1CCC(O)(CNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416158474 319393620 /nfs/dbraw/zinc/39/36/20/319393620.db2.gz GBKHSQCWOKKJTG-UHFFFAOYSA-N 1 3 331.460 1.008 20 0 EDADHO CO[C@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000191361335 443284518 /nfs/dbraw/zinc/28/45/18/443284518.db2.gz RBDFYXXLRITILY-WBVHZDCISA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278710411 443409370 /nfs/dbraw/zinc/40/93/70/443409370.db2.gz LPACOBVDSAVZJJ-BZSNNMDCSA-N 1 3 345.487 1.881 20 0 EDADHO C[C@@H](C[NH3+])N[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423368846 319768056 /nfs/dbraw/zinc/76/80/56/319768056.db2.gz NRULQTIOUHDPLS-BLLLJJGKSA-N 1 3 338.883 1.515 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCCN(C)C ZINC000264980533 443498388 /nfs/dbraw/zinc/49/83/88/443498388.db2.gz QZKNVRFCCZKZEA-CVEARBPZSA-N 1 3 331.460 1.936 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccccc1OCCN(C)C ZINC000264980533 443498389 /nfs/dbraw/zinc/49/83/89/443498389.db2.gz QZKNVRFCCZKZEA-CVEARBPZSA-N 1 3 331.460 1.936 20 0 EDADHO CN(C)[C@@H]1CCOc2c(NC(=O)C(=O)N(C)CC[NH+](C)C)cccc21 ZINC000434964463 320008700 /nfs/dbraw/zinc/00/87/00/320008700.db2.gz WUKCZRMZJZLAMW-OAHLLOKOSA-N 1 3 348.447 1.030 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000440634156 320076051 /nfs/dbraw/zinc/07/60/51/320076051.db2.gz CIHSTYSFVIAICA-SJORKVTESA-N 1 3 327.513 1.970 20 0 EDADHO Cc1nc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000525307832 320489714 /nfs/dbraw/zinc/48/97/14/320489714.db2.gz YSRQQKGPXNSUCH-UHFFFAOYSA-N 1 3 327.498 1.395 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277164185 443924207 /nfs/dbraw/zinc/92/42/07/443924207.db2.gz KICGCUVDYSGJCY-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277164185 443924210 /nfs/dbraw/zinc/92/42/10/443924210.db2.gz KICGCUVDYSGJCY-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO CN(C)CCOC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000553126143 320936516 /nfs/dbraw/zinc/93/65/16/320936516.db2.gz BAQXZQNYEOQOCP-UHFFFAOYSA-N 1 3 347.503 1.974 20 0 EDADHO Cc1nn(C)c2ncc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc12 ZINC000282051718 444073079 /nfs/dbraw/zinc/07/30/79/444073079.db2.gz BAMZIHBDRDQKOM-UHFFFAOYSA-N 1 3 330.480 1.392 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557241796 321001127 /nfs/dbraw/zinc/00/11/27/321001127.db2.gz HMMLYVMKSXGFCQ-TWMKSMIVSA-N 1 3 338.496 1.127 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562820879 321079499 /nfs/dbraw/zinc/07/94/99/321079499.db2.gz NGRMOEPNUZYZRX-BRWVUGGUSA-N 1 3 345.491 1.543 20 0 EDADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993531 321086415 /nfs/dbraw/zinc/08/64/15/321086415.db2.gz IMXZPTQUVIWTOS-VQIMIIECSA-N 1 3 347.503 1.683 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1)C(C)C ZINC000563101905 321095616 /nfs/dbraw/zinc/09/56/16/321095616.db2.gz UFKOHOSLKBKOOS-SFHVURJKSA-N 1 3 332.492 1.632 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1)C(C)C ZINC000563101905 321095617 /nfs/dbraw/zinc/09/56/17/321095617.db2.gz UFKOHOSLKBKOOS-SFHVURJKSA-N 1 3 332.492 1.632 20 0 EDADHO CC(C)(C)CCN1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563215778 321101405 /nfs/dbraw/zinc/10/14/05/321101405.db2.gz ZTQAVIVTLDFXAD-OALUTQOASA-N 1 3 333.520 1.971 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@@H](C)CO)CC2)CC1 ZINC000563384177 321107100 /nfs/dbraw/zinc/10/71/00/321107100.db2.gz DBWPJAJQHZOIMD-MRXNPFEDSA-N 1 3 339.524 1.708 20 0 EDADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825450 321150693 /nfs/dbraw/zinc/15/06/93/321150693.db2.gz IJGKEKCUYOTPLG-DRMAHVMPSA-N 1 3 329.444 1.747 20 0 EDADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811514 321234276 /nfs/dbraw/zinc/23/42/76/321234276.db2.gz WMFPBOIAVJKBLV-SUMWQHHRSA-N 1 3 337.489 1.643 20 0 EDADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811514 321234277 /nfs/dbraw/zinc/23/42/77/321234277.db2.gz WMFPBOIAVJKBLV-SUMWQHHRSA-N 1 3 337.489 1.643 20 0 EDADHO CN1C(=O)CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1=O ZINC000567662760 321251831 /nfs/dbraw/zinc/25/18/31/321251831.db2.gz HEJLSQMTGDLGMX-TVFCKZIOSA-N 1 3 341.455 1.634 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000567881195 321264812 /nfs/dbraw/zinc/26/48/12/321264812.db2.gz UQSBLYCJYZWVOH-GJZGRUSLSA-N 1 3 340.512 1.199 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCCOC3)CC2)CC1 ZINC000568778616 321306358 /nfs/dbraw/zinc/30/63/58/321306358.db2.gz SXZPXOLXUYHPCJ-LJQANCHMSA-N 1 3 337.508 1.868 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000569007915 321315127 /nfs/dbraw/zinc/31/51/27/321315127.db2.gz OYBGMVCWTGSXSZ-UHFFFAOYSA-N 1 3 331.460 1.797 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098450 321318737 /nfs/dbraw/zinc/31/87/37/321318737.db2.gz GEVZDDKWUREOIT-QRTARXTBSA-N 1 3 344.459 1.320 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000570928873 321364077 /nfs/dbraw/zinc/36/40/77/321364077.db2.gz SLCTYJAFWYHKEU-ZCNNSNEGSA-N 1 3 343.446 1.703 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000571743668 321399327 /nfs/dbraw/zinc/39/93/27/321399327.db2.gz MYHPZRVPXTZCNP-CVEARBPZSA-N 1 3 348.495 1.831 20 0 EDADHO COC(=O)CC1(NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000573376749 321452193 /nfs/dbraw/zinc/45/21/93/321452193.db2.gz YRJRZOMBMIZSTR-OAHLLOKOSA-N 1 3 333.432 1.091 20 0 EDADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289849191 444211059 /nfs/dbraw/zinc/21/10/59/444211059.db2.gz RCECNLHXBLPHLV-LRDDRELGSA-N 1 3 325.478 1.641 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000303984222 444239005 /nfs/dbraw/zinc/23/90/05/444239005.db2.gz HPGGTJUKOBKUDA-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CN(Cc1ccccc1)C[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257054 444244277 /nfs/dbraw/zinc/24/42/77/444244277.db2.gz DODZTGJKRCRQCX-UXHICEINSA-N 1 3 331.504 1.897 20 0 EDADHO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 ZINC000340469562 444390871 /nfs/dbraw/zinc/39/08/71/444390871.db2.gz KSAUTQJTAVMWHV-SJLPKXTDSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@H](CC(N)=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469562 444390875 /nfs/dbraw/zinc/39/08/75/444390875.db2.gz KSAUTQJTAVMWHV-SJLPKXTDSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@H](CC(N)=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469562 444390878 /nfs/dbraw/zinc/39/08/78/444390878.db2.gz KSAUTQJTAVMWHV-SJLPKXTDSA-N 1 3 345.487 1.769 20 0 EDADHO C[NH+](C)CCC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000340638346 444468142 /nfs/dbraw/zinc/46/81/42/444468142.db2.gz ICEUGTZTVOXFST-UHFFFAOYSA-N 1 3 328.464 1.869 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000579830232 321975392 /nfs/dbraw/zinc/97/53/92/321975392.db2.gz RNOIQIPDYHFFCT-XKQJLSEDSA-N 1 3 332.448 1.230 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC1 ZINC000580573924 322070451 /nfs/dbraw/zinc/07/04/51/322070451.db2.gz SIYLAXFRRVKRCB-IYBDPMFKSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1nsc2ccccc21 ZINC000580829231 322100395 /nfs/dbraw/zinc/10/03/95/322100395.db2.gz FDZARHVAULEKIR-UHFFFAOYSA-N 1 3 334.489 1.791 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)(N(C)C)C1 ZINC000343836140 444619187 /nfs/dbraw/zinc/61/91/87/444619187.db2.gz VCVUFAQOSPLLND-RPZWUGTHSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009552 444725590 /nfs/dbraw/zinc/72/55/90/444725590.db2.gz BAONBTUPUJLSDU-CALCHBBNSA-N 1 3 326.529 1.306 20 0 EDADHO C[C@@H](C(=O)NC1CCC(C)CC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344040589 444744204 /nfs/dbraw/zinc/74/42/04/444744204.db2.gz VOGAPZWUNDKGAM-ADKAHSJRSA-N 1 3 340.556 1.885 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000342691672 444816794 /nfs/dbraw/zinc/81/67/94/444816794.db2.gz IHNXJSCEQNFXCT-PBHICJAKSA-N 1 3 347.459 1.609 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCC(=O)OC ZINC000342709576 444827125 /nfs/dbraw/zinc/82/71/25/444827125.db2.gz OWPNGEAALDRPMQ-RRFJBIMHSA-N 1 3 327.469 1.284 20 0 EDADHO CC[C@H](C(=O)OC)C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000338839607 444882219 /nfs/dbraw/zinc/88/22/19/444882219.db2.gz HMYPYLSEBRVDNI-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CC[C@H](C(=O)OC)C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000338839607 444882220 /nfs/dbraw/zinc/88/22/20/444882220.db2.gz HMYPYLSEBRVDNI-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CC[NH+]1CCC(NC(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000337185563 444978114 /nfs/dbraw/zinc/97/81/14/444978114.db2.gz OLOGYUCWHIEUAD-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000344548960 445051984 /nfs/dbraw/zinc/05/19/84/445051984.db2.gz OHSJPXMCIFDTNK-IXDOHACOSA-N 1 3 338.496 1.005 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000344548960 445051990 /nfs/dbraw/zinc/05/19/90/445051990.db2.gz OHSJPXMCIFDTNK-IXDOHACOSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343150508 445098920 /nfs/dbraw/zinc/09/89/20/445098920.db2.gz KJPDTUIEIJHNLD-BRWVUGGUSA-N 1 3 336.524 1.249 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343173561 445113861 /nfs/dbraw/zinc/11/38/61/445113861.db2.gz NYXYWDUCVRHCKA-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000343173561 445113863 /nfs/dbraw/zinc/11/38/63/445113863.db2.gz NYXYWDUCVRHCKA-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000343446768 445224592 /nfs/dbraw/zinc/22/45/92/445224592.db2.gz MCOTXIHVZMKZAD-WMLDXEAASA-N 1 3 334.439 1.849 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519195 445240721 /nfs/dbraw/zinc/24/07/21/445240721.db2.gz DEOIVMUAQLFQRM-JKSUJKDBSA-N 1 3 338.496 1.223 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348130056 445284222 /nfs/dbraw/zinc/28/42/22/445284222.db2.gz UEVBOWQTJZRLTC-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1C[C@H](OC)C[C@@H]1CN1CCCC1 ZINC000348130056 445284225 /nfs/dbraw/zinc/28/42/25/445284225.db2.gz UEVBOWQTJZRLTC-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CN(CC(=O)NC(C1CC1)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362488982 445408347 /nfs/dbraw/zinc/40/83/47/445408347.db2.gz UAZSLXGFIWTSGO-SFHVURJKSA-N 1 3 348.535 1.392 20 0 EDADHO O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)NC1CCN(C2CC2)CC1 ZINC000348952610 445452974 /nfs/dbraw/zinc/45/29/74/445452974.db2.gz VXBXEAVLGPPIIU-GOSISDBHSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(C[N@H+]1CCC[C@@H]1C1CCOCC1)NC1CCN(C2CC2)CC1 ZINC000348952610 445452978 /nfs/dbraw/zinc/45/29/78/445452978.db2.gz VXBXEAVLGPPIIU-GOSISDBHSA-N 1 3 335.492 1.620 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000348991407 445467864 /nfs/dbraw/zinc/46/78/64/445467864.db2.gz GSFWJMGGZRYZFL-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000348991407 445467867 /nfs/dbraw/zinc/46/78/67/445467867.db2.gz GSFWJMGGZRYZFL-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000359872211 445469615 /nfs/dbraw/zinc/46/96/15/445469615.db2.gz GSFDHWFEEULXAF-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc([S@](C)=O)cc1 ZINC000349063565 445492689 /nfs/dbraw/zinc/49/26/89/445492689.db2.gz QHFRVNXGZRFOEH-QHCPKHFHSA-N 1 3 337.533 1.882 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc([S@](C)=O)cc1 ZINC000349063565 445492694 /nfs/dbraw/zinc/49/26/94/445492694.db2.gz QHFRVNXGZRFOEH-QHCPKHFHSA-N 1 3 337.533 1.882 20 0 EDADHO C[NH+](C)CCOC1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000353523831 445642181 /nfs/dbraw/zinc/64/21/81/445642181.db2.gz CAAYCANOWNBKNN-UHFFFAOYSA-N 1 3 329.448 1.810 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000353502891 445632723 /nfs/dbraw/zinc/63/27/23/445632723.db2.gz MQSIPXBORHEYDN-PQEBFOHHSA-N 1 3 348.443 1.617 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000353502891 445632727 /nfs/dbraw/zinc/63/27/27/445632727.db2.gz MQSIPXBORHEYDN-PQEBFOHHSA-N 1 3 348.443 1.617 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000353502891 445632731 /nfs/dbraw/zinc/63/27/31/445632731.db2.gz MQSIPXBORHEYDN-PQEBFOHHSA-N 1 3 348.443 1.617 20 0 EDADHO COC[C@H](C)[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360152688 445597159 /nfs/dbraw/zinc/59/71/59/445597159.db2.gz WQKPCVSBLSRWKK-GJZGRUSLSA-N 1 3 325.497 1.580 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000349780467 445675609 /nfs/dbraw/zinc/67/56/09/445675609.db2.gz FARGLIPMVQZVKH-ROUUACIJSA-N 1 3 330.476 1.649 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000349780467 445675611 /nfs/dbraw/zinc/67/56/11/445675611.db2.gz FARGLIPMVQZVKH-ROUUACIJSA-N 1 3 330.476 1.649 20 0 EDADHO CN(CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000349801190 445682268 /nfs/dbraw/zinc/68/22/68/445682268.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 1 3 330.476 1.997 20 0 EDADHO CN(CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000349801190 445682273 /nfs/dbraw/zinc/68/22/73/445682273.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 1 3 330.476 1.997 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293117 445722077 /nfs/dbraw/zinc/72/20/77/445722077.db2.gz HMUQGTXZRBACOF-MJGOQNOKSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293117 445722078 /nfs/dbraw/zinc/72/20/78/445722078.db2.gz HMUQGTXZRBACOF-MJGOQNOKSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358723023 445743170 /nfs/dbraw/zinc/74/31/70/445743170.db2.gz OXXVUZFVVCKMQG-BEFAXECRSA-N 1 3 348.491 1.482 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCN2CCC[C@H]2C1 ZINC000350027655 445752168 /nfs/dbraw/zinc/75/21/68/445752168.db2.gz PJOZTFWZQBPMAM-INIZCTEOSA-N 1 3 336.480 1.121 20 0 EDADHO CN(CCN1CCCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000361391307 445763335 /nfs/dbraw/zinc/76/33/35/445763335.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO CN(CCN1CCCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000361391307 445763337 /nfs/dbraw/zinc/76/33/37/445763337.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO C[N@H+](CCN1CCCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000361391307 445763340 /nfs/dbraw/zinc/76/33/40/445763340.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO C[N@@H+](CCN1CCCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000361391307 445763343 /nfs/dbraw/zinc/76/33/43/445763343.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 1 3 347.503 1.278 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361583870 445833033 /nfs/dbraw/zinc/83/30/33/445833033.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000361583870 445833038 /nfs/dbraw/zinc/83/30/38/445833038.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004172 445889856 /nfs/dbraw/zinc/88/98/56/445889856.db2.gz RZDPZWPCILLWCQ-GPMSIDNRSA-N 1 3 337.508 1.948 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359060616 445919132 /nfs/dbraw/zinc/91/91/32/445919132.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 1 3 342.528 1.907 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359060616 445919140 /nfs/dbraw/zinc/91/91/40/445919140.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 1 3 342.528 1.907 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C ZINC000361793337 445950977 /nfs/dbraw/zinc/95/09/77/445950977.db2.gz WZSNHIQSUNKMPQ-HLLBOEOZSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1C ZINC000361793337 445950981 /nfs/dbraw/zinc/95/09/81/445950981.db2.gz WZSNHIQSUNKMPQ-HLLBOEOZSA-N 1 3 342.553 1.938 20 0 EDADHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N(CC)CC ZINC000359208597 446038186 /nfs/dbraw/zinc/03/81/86/446038186.db2.gz CFPSGWXGMJRASL-DOTOQJQBSA-N 1 3 327.513 1.658 20 0 EDADHO CO[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000359221412 446051317 /nfs/dbraw/zinc/05/13/17/446051317.db2.gz QPWUXHYBIVVLHT-RTBURBONSA-N 1 3 345.487 1.863 20 0 EDADHO CC1=CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000583192665 326022865 /nfs/dbraw/zinc/02/28/65/326022865.db2.gz WATQKUYFFUHESG-UHFFFAOYSA-N 1 3 330.432 1.942 20 0 EDADHO CO[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000359229053 446059496 /nfs/dbraw/zinc/05/94/96/446059496.db2.gz HOUHRTRHJQROON-ZWKOTPCHSA-N 1 3 331.460 1.861 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000373192729 446089278 /nfs/dbraw/zinc/08/92/78/446089278.db2.gz WANBEVVFQGANJD-QYZOEREBSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373192729 446089284 /nfs/dbraw/zinc/08/92/84/446089284.db2.gz WANBEVVFQGANJD-QYZOEREBSA-N 1 3 344.503 1.895 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000359282890 446118985 /nfs/dbraw/zinc/11/89/85/446118985.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000359282890 446118990 /nfs/dbraw/zinc/11/89/90/446118990.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000351569017 446167536 /nfs/dbraw/zinc/16/75/36/446167536.db2.gz SLBXOQWBCPTPMX-OAHLLOKOSA-N 1 3 325.478 1.463 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000417518187 446360437 /nfs/dbraw/zinc/36/04/37/446360437.db2.gz SCIXOTUUMCWURY-KRWDZBQOSA-N 1 3 348.491 1.877 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000417524445 446361313 /nfs/dbraw/zinc/36/13/13/446361313.db2.gz JNTXZDXJZGCELM-QGZVFWFLSA-N 1 3 348.491 1.692 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417544961 446363517 /nfs/dbraw/zinc/36/35/17/446363517.db2.gz IMNUFAWTOVLEPK-CQSZACIVSA-N 1 3 326.485 1.399 20 0 EDADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000370632847 446365634 /nfs/dbraw/zinc/36/56/34/446365634.db2.gz DHHXOVIFXMFFFF-ZOBUZTSGSA-N 1 3 330.476 1.684 20 0 EDADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000370632847 446365638 /nfs/dbraw/zinc/36/56/38/446365638.db2.gz DHHXOVIFXMFFFF-ZOBUZTSGSA-N 1 3 330.476 1.684 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717546 446370925 /nfs/dbraw/zinc/37/09/25/446370925.db2.gz VFCJMZSSRBWGOM-IAGOWNOFSA-N 1 3 334.464 1.487 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000417926664 446387954 /nfs/dbraw/zinc/38/79/54/446387954.db2.gz DULJRKRJIGLSKL-RHSMWYFYSA-N 1 3 333.480 1.890 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2ccc3cc[nH]c3n2)CC[NH2+]CC1 ZINC000423123400 446431703 /nfs/dbraw/zinc/43/17/03/446431703.db2.gz MPOORJKVKPIQQJ-ZDUSSCGKSA-N 1 3 330.432 1.974 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000418169167 446443251 /nfs/dbraw/zinc/44/32/51/446443251.db2.gz MTRIBYUVLMPQFZ-GOSISDBHSA-N 1 3 346.475 1.696 20 0 EDADHO O=C(NCCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000417998732 446411696 /nfs/dbraw/zinc/41/16/96/446411696.db2.gz UYTSWYUYVOSKFY-QGZVFWFLSA-N 1 3 346.475 1.365 20 0 EDADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423209825 446455429 /nfs/dbraw/zinc/45/54/29/446455429.db2.gz VWAUXMPWANWWRN-QGZVFWFLSA-N 1 3 348.491 1.100 20 0 EDADHO c1cc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)ncc1N1CC[NH2+]CC1 ZINC000423234550 446459960 /nfs/dbraw/zinc/45/99/60/446459960.db2.gz QAWGBPVNVJSOBR-BRWVUGGUSA-N 1 3 331.464 1.060 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](N(C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299867 446461697 /nfs/dbraw/zinc/46/16/97/446461697.db2.gz JPUAOQCVLYPXLJ-KDOFPFPSSA-N 1 3 347.459 1.741 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCC[NH2+]C ZINC000418279175 446481816 /nfs/dbraw/zinc/48/18/16/446481816.db2.gz OSAXZKIQHNEPTD-QGZVFWFLSA-N 1 3 333.480 1.687 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000423318051 446486529 /nfs/dbraw/zinc/48/65/29/446486529.db2.gz BXVAABSOIZWRKX-KDOFPFPSSA-N 1 3 331.460 1.970 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](N)C2CCC2)c1 ZINC000423329221 446491823 /nfs/dbraw/zinc/49/18/23/446491823.db2.gz OGTLCLWUAKFQRC-KRWDZBQOSA-N 1 3 346.475 1.824 20 0 EDADHO Cc1ccc(NC(=O)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420327120 446496003 /nfs/dbraw/zinc/49/60/03/446496003.db2.gz DBEZZHOLZMIQIY-IYBDPMFKSA-N 1 3 344.459 1.883 20 0 EDADHO COC[C@]1(C(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000423338611 446494332 /nfs/dbraw/zinc/49/43/32/446494332.db2.gz WHLCATDGOXKTLV-INIZCTEOSA-N 1 3 341.521 1.090 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000423337773 446495295 /nfs/dbraw/zinc/49/52/95/446495295.db2.gz VOXTWAAMDOCORS-HUUCEWRRSA-N 1 3 325.522 1.852 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420339745 446509824 /nfs/dbraw/zinc/50/98/24/446509824.db2.gz OXVYPFURKNUDNG-UHFFFAOYSA-N 1 3 337.489 1.512 20 0 EDADHO C[C@H]([NH3+])c1ccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383935 446511227 /nfs/dbraw/zinc/51/12/27/446511227.db2.gz FRZQRLCMOYOGTE-WMLDXEAASA-N 1 3 346.475 1.379 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341513 446496992 /nfs/dbraw/zinc/49/69/92/446496992.db2.gz XZEPAKYNSBTWCC-HUUCEWRRSA-N 1 3 333.480 1.301 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418325328 446499367 /nfs/dbraw/zinc/49/93/67/446499367.db2.gz IVPOHVRMPVCFFL-QGZVFWFLSA-N 1 3 333.480 1.545 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418325328 446499370 /nfs/dbraw/zinc/49/93/70/446499370.db2.gz IVPOHVRMPVCFFL-QGZVFWFLSA-N 1 3 333.480 1.545 20 0 EDADHO COc1cccc(OCCN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385019 446561431 /nfs/dbraw/zinc/56/14/31/446561431.db2.gz GFPREKAYXPQNMR-MSOLQXFVSA-N 1 3 332.444 1.774 20 0 EDADHO CN(CCC(=O)NC1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367623356 446568598 /nfs/dbraw/zinc/56/85/98/446568598.db2.gz NNFZPRXMZZQDDX-GOSISDBHSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CCC(=O)NC1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367623356 446568606 /nfs/dbraw/zinc/56/86/06/446568606.db2.gz NNFZPRXMZZQDDX-GOSISDBHSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000433371199 446566057 /nfs/dbraw/zinc/56/60/57/446566057.db2.gz AEWWTTVODZARAR-INIZCTEOSA-N 1 3 342.447 1.064 20 0 EDADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402199 446517600 /nfs/dbraw/zinc/51/76/00/446517600.db2.gz WNMUDSLPYRKGCW-QEJZJMRPSA-N 1 3 325.478 1.857 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423410239 446521269 /nfs/dbraw/zinc/52/12/69/446521269.db2.gz CWKVJKOTSSGMDO-JKSUJKDBSA-N 1 3 340.512 1.153 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000418379032 446521382 /nfs/dbraw/zinc/52/13/82/446521382.db2.gz IRDYHEMUANEOSB-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418379757 446521494 /nfs/dbraw/zinc/52/14/94/446521494.db2.gz WGXYWMBMONNJMA-QRVBRYPASA-N 1 3 342.487 1.902 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420362366 446541799 /nfs/dbraw/zinc/54/17/99/446541799.db2.gz OBVPYYXAKHOEOS-HNNXBMFYSA-N 1 3 332.448 1.380 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420364133 446543868 /nfs/dbraw/zinc/54/38/68/446543868.db2.gz IHYJZZFICCZVKT-GJYPPUQNSA-N 1 3 344.503 1.435 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418448477 446546621 /nfs/dbraw/zinc/54/66/21/446546621.db2.gz SASVOEUROFHTKX-KRWDZBQOSA-N 1 3 341.544 1.419 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418449968 446546934 /nfs/dbraw/zinc/54/69/34/446546934.db2.gz SRWBEWYESVVCDU-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO COc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420371338 446548975 /nfs/dbraw/zinc/54/89/75/446548975.db2.gz DDQRLNZHGFBUDU-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO COc1ccc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420371338 446548984 /nfs/dbraw/zinc/54/89/84/446548984.db2.gz DDQRLNZHGFBUDU-HNNXBMFYSA-N 1 3 331.420 1.461 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418612418 446615577 /nfs/dbraw/zinc/61/55/77/446615577.db2.gz IWNCRRBWKWPWMT-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418536768 446585223 /nfs/dbraw/zinc/58/52/23/446585223.db2.gz CFXJXPOJBKQPHA-BZUAXINKSA-N 1 3 340.512 1.645 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371041165 446592585 /nfs/dbraw/zinc/59/25/85/446592585.db2.gz DIGKEVZYIYKCQW-KRWDZBQOSA-N 1 3 340.512 1.328 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000411664728 446638408 /nfs/dbraw/zinc/63/84/08/446638408.db2.gz FGHCXFBAGIEHTI-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000411664728 446638415 /nfs/dbraw/zinc/63/84/15/446638415.db2.gz FGHCXFBAGIEHTI-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418668500 446641565 /nfs/dbraw/zinc/64/15/65/446641565.db2.gz HZNRIJMQGUXSMT-ZSHCYNCHSA-N 1 3 336.867 1.631 20 0 EDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418753830 446672442 /nfs/dbraw/zinc/67/24/42/446672442.db2.gz VXDYBZCEXZINAA-CQSZACIVSA-N 1 3 334.455 1.993 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418754964 446674828 /nfs/dbraw/zinc/67/48/28/446674828.db2.gz WUUYQBBYNPLZDC-ZIAGYGMSSA-N 1 3 330.423 1.644 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418634429 446625518 /nfs/dbraw/zinc/62/55/18/446625518.db2.gz YTJWOEVIINYPRJ-ILXRZTDVSA-N 1 3 326.485 1.125 20 0 EDADHO CCCn1ccnc1CCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411634844 446629415 /nfs/dbraw/zinc/62/94/15/446629415.db2.gz VFZSWTDFJHPZJQ-UHFFFAOYSA-N 1 3 349.523 1.758 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000420668378 446736370 /nfs/dbraw/zinc/73/63/70/446736370.db2.gz JXHCZPXVCPBMOC-MRXNPFEDSA-N 1 3 340.512 1.163 20 0 EDADHO CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419002201 446859448 /nfs/dbraw/zinc/85/94/48/446859448.db2.gz BTKFIKMKAVRGEF-UHFFFAOYSA-N 1 3 346.475 1.014 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419020940 446870784 /nfs/dbraw/zinc/87/07/84/446870784.db2.gz GLNPZYLTBJHHHZ-VYDXJSESSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419020940 446870785 /nfs/dbraw/zinc/87/07/85/446870785.db2.gz GLNPZYLTBJHHHZ-VYDXJSESSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029287 446874437 /nfs/dbraw/zinc/87/44/37/446874437.db2.gz RLUFQZLSAOMTHE-CABCVRRESA-N 1 3 338.496 1.001 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000424456558 446875951 /nfs/dbraw/zinc/87/59/51/446875951.db2.gz POZQYBJNMXBBDJ-QGZVFWFLSA-N 1 3 346.475 1.629 20 0 EDADHO CCCCNC(=O)CCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420978685 446952430 /nfs/dbraw/zinc/95/24/30/446952430.db2.gz JNHZMBVJLUVKHT-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCCCNC(=O)CCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420978685 446952435 /nfs/dbraw/zinc/95/24/35/446952435.db2.gz JNHZMBVJLUVKHT-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979302 446952570 /nfs/dbraw/zinc/95/25/70/446952570.db2.gz KJBCKHREYJGPCK-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979302 446952575 /nfs/dbraw/zinc/95/25/75/446952575.db2.gz KJBCKHREYJGPCK-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419157244 446973855 /nfs/dbraw/zinc/97/38/55/446973855.db2.gz WEMOINVPUCYBPW-WMLDXEAASA-N 1 3 348.491 1.382 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419161491 446977377 /nfs/dbraw/zinc/97/73/77/446977377.db2.gz JDUSZVHMEVGMEE-WBVHZDCISA-N 1 3 348.491 1.113 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615245 446982667 /nfs/dbraw/zinc/98/26/67/446982667.db2.gz POCQTFIFMLFDHG-ARFHVFGLSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615245 446982672 /nfs/dbraw/zinc/98/26/72/446982672.db2.gz POCQTFIFMLFDHG-ARFHVFGLSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615245 446982678 /nfs/dbraw/zinc/98/26/78/446982678.db2.gz POCQTFIFMLFDHG-ARFHVFGLSA-N 1 3 347.459 1.522 20 0 EDADHO CN1CC[C@@]2(CC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630322 446991986 /nfs/dbraw/zinc/99/19/86/446991986.db2.gz DLYJMAZHAVSQMO-QGZVFWFLSA-N 1 3 327.469 1.555 20 0 EDADHO CN1CC[C@@]2(CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630322 446991991 /nfs/dbraw/zinc/99/19/91/446991991.db2.gz DLYJMAZHAVSQMO-QGZVFWFLSA-N 1 3 327.469 1.555 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059589 447001404 /nfs/dbraw/zinc/00/14/04/447001404.db2.gz NENVVAGZVAURQU-HUUCEWRRSA-N 1 3 349.475 1.769 20 0 EDADHO CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCN(CCc2ccccn2)CC1 ZINC000444185458 447092002 /nfs/dbraw/zinc/09/20/02/447092002.db2.gz QINIMGJWAYSRHZ-ICSRJNTNSA-N 1 3 342.487 1.547 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189629 447094354 /nfs/dbraw/zinc/09/43/54/447094354.db2.gz VWXDOGIDUYSTQZ-UHOFOFEASA-N 1 3 329.510 1.072 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368822973 447135970 /nfs/dbraw/zinc/13/59/70/447135970.db2.gz MCEIQQVFVXCMIO-QGZVFWFLSA-N 1 3 327.513 1.122 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000372569759 447149993 /nfs/dbraw/zinc/14/99/93/447149993.db2.gz CEYRWHBUUXWLPL-GOSISDBHSA-N 1 3 344.503 1.799 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455643342 447194732 /nfs/dbraw/zinc/19/47/32/447194732.db2.gz AEWLXOJYRGOJAA-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455643342 447194738 /nfs/dbraw/zinc/19/47/38/447194738.db2.gz AEWLXOJYRGOJAA-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccnn1CCN(C)C ZINC000455673987 447207517 /nfs/dbraw/zinc/20/75/17/447207517.db2.gz YYGKQJDTPDPXNG-HNNXBMFYSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccnn1CCN(C)C ZINC000455673987 447207527 /nfs/dbraw/zinc/20/75/27/447207527.db2.gz YYGKQJDTPDPXNG-HNNXBMFYSA-N 1 3 336.484 1.831 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000376041139 447229214 /nfs/dbraw/zinc/22/92/14/447229214.db2.gz FIUXXKIFNNZVOW-GOEBONIOSA-N 1 3 346.479 1.708 20 0 EDADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046195 447284403 /nfs/dbraw/zinc/28/44/03/447284403.db2.gz DFMKNXHCMDOGSP-SJORKVTESA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN(C2CCCC2)CC1 ZINC000369046195 447284410 /nfs/dbraw/zinc/28/44/10/447284410.db2.gz DFMKNXHCMDOGSP-SJORKVTESA-N 1 3 336.480 1.119 20 0 EDADHO COC[C@@]1(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488628 447479180 /nfs/dbraw/zinc/47/91/80/447479180.db2.gz LUHDKSUETPILQT-AZUAARDMSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904125 447488726 /nfs/dbraw/zinc/48/87/26/447488726.db2.gz FYRJPYIIOPAUMX-UKRRQHHQSA-N 1 3 344.484 1.895 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931446 447489050 /nfs/dbraw/zinc/48/90/50/447489050.db2.gz LFBIIYRXYVYUBU-RDJZCZTQSA-N 1 3 331.460 1.379 20 0 EDADHO COCC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006663 447490236 /nfs/dbraw/zinc/49/02/36/447490236.db2.gz XAAXCNXMXKQFPV-SJLPKXTDSA-N 1 3 345.487 1.639 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390906473 447506401 /nfs/dbraw/zinc/50/64/01/447506401.db2.gz SCWXMADHZYPSPH-SZMVWBNQSA-N 1 3 331.460 1.392 20 0 EDADHO CC1(C)CC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC(C)(C)[NH2+]1 ZINC000457398147 447572128 /nfs/dbraw/zinc/57/21/28/447572128.db2.gz WLVZBYBXIMBXSV-AWEZNQCLSA-N 1 3 340.512 1.442 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000420147181 447635505 /nfs/dbraw/zinc/63/55/05/447635505.db2.gz RRRKDWYGAUQCLX-HNNXBMFYSA-N 1 3 338.496 1.097 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)c1ccccc1 ZINC000416850457 447695908 /nfs/dbraw/zinc/69/59/08/447695908.db2.gz ZOHYTMMSKQNQOC-IRXDYDNUSA-N 1 3 334.464 1.357 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634403 447680521 /nfs/dbraw/zinc/68/05/21/447680521.db2.gz JOKLVJDGTVIWLL-UMVBOHGHSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1CN ZINC000422634403 447680529 /nfs/dbraw/zinc/68/05/29/447680529.db2.gz JOKLVJDGTVIWLL-UMVBOHGHSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1CN ZINC000422634403 447680533 /nfs/dbraw/zinc/68/05/33/447680533.db2.gz JOKLVJDGTVIWLL-UMVBOHGHSA-N 1 3 332.448 1.419 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000420231841 447680631 /nfs/dbraw/zinc/68/06/31/447680631.db2.gz SLDSEAQDXJEPCV-RWMBFGLXSA-N 1 3 333.484 1.499 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)C[NH+]1CCCCC1 ZINC000457958591 447684574 /nfs/dbraw/zinc/68/45/74/447684574.db2.gz ZKNHOGJEHFTJFJ-IRXDYDNUSA-N 1 3 340.512 1.254 20 0 EDADHO CCN1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451258193 447715428 /nfs/dbraw/zinc/71/54/28/447715428.db2.gz FEHWFTRKQUXLID-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451258193 447715430 /nfs/dbraw/zinc/71/54/30/447715430.db2.gz FEHWFTRKQUXLID-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO C[C@H](NCCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422720604 447727403 /nfs/dbraw/zinc/72/74/03/447727403.db2.gz SUKCFLMPBKBPGZ-IRXDYDNUSA-N 1 3 332.496 1.109 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720332 447728129 /nfs/dbraw/zinc/72/81/29/447728129.db2.gz SIJWZNWUHSLHAK-IRXDYDNUSA-N 1 3 332.496 1.096 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417020094 447731191 /nfs/dbraw/zinc/73/11/91/447731191.db2.gz RPIQUKROHQWWBU-ZWKOTPCHSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417022655 447731237 /nfs/dbraw/zinc/73/12/37/447731237.db2.gz VLJCPAPXXSALQF-YJBOKZPZSA-N 1 3 330.476 1.732 20 0 EDADHO C[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429364379 447743828 /nfs/dbraw/zinc/74/38/28/447743828.db2.gz SDTCKGVSWUTYSK-INIZCTEOSA-N 1 3 348.535 1.536 20 0 EDADHO C[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CC[N@H+](C2CCC2)C1 ZINC000429364379 447743831 /nfs/dbraw/zinc/74/38/31/447743831.db2.gz SDTCKGVSWUTYSK-INIZCTEOSA-N 1 3 348.535 1.536 20 0 EDADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000458218824 447747094 /nfs/dbraw/zinc/74/70/94/447747094.db2.gz HQUUKKBLXJNHKT-INIZCTEOSA-N 1 3 336.505 1.028 20 0 EDADHO CN(C)CCOc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422824984 447761202 /nfs/dbraw/zinc/76/12/02/447761202.db2.gz OUIFWBHKETXGAJ-GBESFXJTSA-N 1 3 347.503 1.874 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458335354 447771198 /nfs/dbraw/zinc/77/11/98/447771198.db2.gz DKQUGDNNVYQWFC-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H](N)C[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915943 447772541 /nfs/dbraw/zinc/77/25/41/447772541.db2.gz ZLJMRAHZTFIOHA-CABCVRRESA-N 1 3 339.505 1.696 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969597 447784060 /nfs/dbraw/zinc/78/40/60/447784060.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 1 3 343.515 1.916 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699550 447803093 /nfs/dbraw/zinc/80/30/93/447803093.db2.gz GEUOSYFTESVHFO-QAETUUGQSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699550 447803094 /nfs/dbraw/zinc/80/30/94/447803094.db2.gz GEUOSYFTESVHFO-QAETUUGQSA-N 1 3 325.497 1.722 20 0 EDADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000471653061 447807574 /nfs/dbraw/zinc/80/75/74/447807574.db2.gz IPKCZZMVIFTLLD-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CN(C)CCOCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000471653061 447807576 /nfs/dbraw/zinc/80/75/76/447807576.db2.gz IPKCZZMVIFTLLD-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641282 447839226 /nfs/dbraw/zinc/83/92/26/447839226.db2.gz FHRYKYSZCJXGJA-QAPCUYQASA-N 1 3 343.512 1.830 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641282 447839228 /nfs/dbraw/zinc/83/92/28/447839228.db2.gz FHRYKYSZCJXGJA-QAPCUYQASA-N 1 3 343.512 1.830 20 0 EDADHO CC(C)CN1CC[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641282 447839229 /nfs/dbraw/zinc/83/92/29/447839229.db2.gz FHRYKYSZCJXGJA-QAPCUYQASA-N 1 3 343.512 1.830 20 0 EDADHO CN1CCC(CCO)(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000569740308 447881639 /nfs/dbraw/zinc/88/16/39/447881639.db2.gz OOWKTTNFIYNPDH-UHFFFAOYSA-N 1 3 333.476 1.367 20 0 EDADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894328 /nfs/dbraw/zinc/89/43/28/447894328.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894334 /nfs/dbraw/zinc/89/43/34/447894334.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1n[nH]c(C)c1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523651634 447895501 /nfs/dbraw/zinc/89/55/01/447895501.db2.gz YZUPCOWOBJFWCI-UHFFFAOYSA-N 1 3 347.507 1.634 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000524351479 447925834 /nfs/dbraw/zinc/92/58/34/447925834.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 1 3 330.476 1.893 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000524351479 447925835 /nfs/dbraw/zinc/92/58/35/447925835.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 1 3 330.476 1.893 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201809 447963826 /nfs/dbraw/zinc/96/38/26/447963826.db2.gz ITKXQNVNPBYQPJ-ZNMIVQPWSA-N 1 3 336.432 1.617 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](C[N@H+](C)CC)C2)n1 ZINC000553432695 447993013 /nfs/dbraw/zinc/99/30/13/447993013.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 1 3 335.500 1.714 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@@H](C[N@@H+](C)CC)C2)n1 ZINC000553432695 447993017 /nfs/dbraw/zinc/99/30/17/447993017.db2.gz RIMWTCOBTLBHSR-ZDUSSCGKSA-N 1 3 335.500 1.714 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000570641655 448041298 /nfs/dbraw/zinc/04/12/98/448041298.db2.gz WJCZLLBZKFTCPG-GOSISDBHSA-N 1 3 344.503 1.428 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000531286268 448053070 /nfs/dbraw/zinc/05/30/70/448053070.db2.gz SWZLRELACWUINA-PKOBYXMFSA-N 1 3 331.460 1.080 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000576516651 448072519 /nfs/dbraw/zinc/07/25/19/448072519.db2.gz NVCVEMOKDLOAJI-SFHVURJKSA-N 1 3 332.492 1.633 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2CN)cc1 ZINC000576516651 448072526 /nfs/dbraw/zinc/07/25/26/448072526.db2.gz NVCVEMOKDLOAJI-SFHVURJKSA-N 1 3 332.492 1.633 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000571146999 448109639 /nfs/dbraw/zinc/10/96/39/448109639.db2.gz PHOQTQSCRJQFQA-DZGCQCFKSA-N 1 3 334.468 1.789 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000571053863 448102016 /nfs/dbraw/zinc/10/20/16/448102016.db2.gz ICUKMJOXKITRBF-STQMWFEESA-N 1 3 342.281 1.931 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000571053863 448102020 /nfs/dbraw/zinc/10/20/20/448102020.db2.gz ICUKMJOXKITRBF-STQMWFEESA-N 1 3 342.281 1.931 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOCC(F)F)CC2)CC1 ZINC000576716326 448124929 /nfs/dbraw/zinc/12/49/29/448124929.db2.gz UBXHWVCXDSPGEC-UHFFFAOYSA-N 1 3 347.450 1.581 20 0 EDADHO CN(C(=O)/C=C\C[NH+](C)C)C1CCN(CCc2ccccn2)CC1 ZINC000491884698 448144151 /nfs/dbraw/zinc/14/41/51/448144151.db2.gz MXBXQVBHVPPNES-VURMDHGXSA-N 1 3 330.476 1.665 20 0 EDADHO CC[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000577486603 448309822 /nfs/dbraw/zinc/30/98/22/448309822.db2.gz DCPXKVHPYMWWEQ-MSOLQXFVSA-N 1 3 348.491 1.168 20 0 EDADHO CC[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000577486608 448310489 /nfs/dbraw/zinc/31/04/89/448310489.db2.gz DCPXKVHPYMWWEQ-ZWKOTPCHSA-N 1 3 348.491 1.168 20 0 EDADHO C[C@@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585289 448414366 /nfs/dbraw/zinc/41/43/66/448414366.db2.gz JDXLMCRTMPAOCL-UZLBHIALSA-N 1 3 347.503 1.716 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H](N)c3ccccc3)n2)CC1 ZINC000583740917 448461009 /nfs/dbraw/zinc/46/10/09/448461009.db2.gz FXKJFGOTZQQKLT-MRXNPFEDSA-N 1 3 342.447 1.971 20 0 EDADHO CN1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@H]1c1ccccc1 ZINC000516749718 448467550 /nfs/dbraw/zinc/46/75/50/448467550.db2.gz MAYJLHXQOCRWBH-YESZJQIVSA-N 1 3 332.448 1.110 20 0 EDADHO Cc1ccc2nc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cn2c1 ZINC000584381917 448502111 /nfs/dbraw/zinc/50/21/11/448502111.db2.gz TXSCXYCRHGYEME-UHFFFAOYSA-N 1 3 346.479 1.278 20 0 EDADHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000578358510 448527315 /nfs/dbraw/zinc/52/73/15/448527315.db2.gz FBIZDYGRSLPXKQ-MOPGFXCFSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)OC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000578358510 448527319 /nfs/dbraw/zinc/52/73/19/448527319.db2.gz FBIZDYGRSLPXKQ-MOPGFXCFSA-N 1 3 336.476 1.519 20 0 EDADHO CCN1CCN(CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000573600809 448668703 /nfs/dbraw/zinc/66/87/03/448668703.db2.gz CIXZBSGITDUHRS-GOSISDBHSA-N 1 3 346.519 1.856 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518011 448688053 /nfs/dbraw/zinc/68/80/53/448688053.db2.gz WCFOPGAEFRAKJA-OWSLCNJRSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@H](C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)CN1CCCCC1 ZINC000518518011 448688058 /nfs/dbraw/zinc/68/80/58/448688058.db2.gz WCFOPGAEFRAKJA-OWSLCNJRSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000573820719 448723411 /nfs/dbraw/zinc/72/34/11/448723411.db2.gz HHICRIZLZUZFFW-FZCLSBEQSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000573820715 448723063 /nfs/dbraw/zinc/72/30/63/448723063.db2.gz HHICRIZLZUZFFW-AHCXZYCDSA-N 1 3 330.476 1.947 20 0 EDADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000578970338 448681567 /nfs/dbraw/zinc/68/15/67/448681567.db2.gz MLPMWIFORWUVTI-ZIAGYGMSSA-N 1 3 332.439 1.793 20 0 EDADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000578970338 448681571 /nfs/dbraw/zinc/68/15/71/448681571.db2.gz MLPMWIFORWUVTI-ZIAGYGMSSA-N 1 3 332.439 1.793 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000567382469 448682012 /nfs/dbraw/zinc/68/20/12/448682012.db2.gz GNRDTJZYKIJYON-MRXNPFEDSA-N 1 3 344.459 1.673 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000573981788 448763896 /nfs/dbraw/zinc/76/38/96/448763896.db2.gz XDQLLAIYCYPWAT-WRWGMCAJSA-N 1 3 325.482 1.923 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579211938 448740344 /nfs/dbraw/zinc/74/03/44/448740344.db2.gz BPMFTVBQLMYXKV-DLBZAZTESA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000579211938 448740347 /nfs/dbraw/zinc/74/03/47/448740347.db2.gz BPMFTVBQLMYXKV-DLBZAZTESA-N 1 3 342.443 1.014 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574159795 448805941 /nfs/dbraw/zinc/80/59/41/448805941.db2.gz KIEZEBWPOMMQEI-AEFFLSMTSA-N 1 3 339.443 1.506 20 0 EDADHO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000579593349 448831040 /nfs/dbraw/zinc/83/10/40/448831040.db2.gz DMCMYZBJYGKGTN-UXPWSPDFSA-N 1 3 328.456 1.800 20 0 EDADHO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000579593349 448831044 /nfs/dbraw/zinc/83/10/44/448831044.db2.gz DMCMYZBJYGKGTN-UXPWSPDFSA-N 1 3 328.456 1.800 20 0 EDADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492900 448862016 /nfs/dbraw/zinc/86/20/16/448862016.db2.gz GTHUKARLXPOQLA-QLFBSQMISA-N 1 3 338.496 1.711 20 0 EDADHO COCCN(C)C[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574647788 448924675 /nfs/dbraw/zinc/92/46/75/448924675.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 1 3 327.513 1.168 20 0 EDADHO COCCN(C)C[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574647788 448924678 /nfs/dbraw/zinc/92/46/78/448924678.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 1 3 327.513 1.168 20 0 EDADHO COCC1(CNC(=O)N2CCc3ccccc3[C@H]2CN)CC[NH2+]CC1 ZINC000579830310 448889676 /nfs/dbraw/zinc/88/96/76/448889676.db2.gz WQZKGJWAJQYDMN-QGZVFWFLSA-N 1 3 346.475 1.270 20 0 EDADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccccc1Cl ZINC000574804115 448959848 /nfs/dbraw/zinc/95/98/48/448959848.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 1 3 325.884 1.987 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574809662 448961623 /nfs/dbraw/zinc/96/16/23/448961623.db2.gz PQUQBVKTXBJPLT-KZNAEPCWSA-N 1 3 331.460 1.301 20 0 EDADHO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000569212734 448980735 /nfs/dbraw/zinc/98/07/35/448980735.db2.gz KVSRAHISNZHDRX-FQEVSTJZSA-N 1 3 349.519 1.557 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521010139 448945407 /nfs/dbraw/zinc/94/54/07/448945407.db2.gz OETARMFNJDRFII-MRXNPFEDSA-N 1 3 340.512 1.199 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521010139 448945411 /nfs/dbraw/zinc/94/54/11/448945411.db2.gz OETARMFNJDRFII-MRXNPFEDSA-N 1 3 340.512 1.199 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000521582884 448997023 /nfs/dbraw/zinc/99/70/23/448997023.db2.gz UYTODCGCPAZHSX-OALUTQOASA-N 1 3 341.459 1.986 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000522002471 449039001 /nfs/dbraw/zinc/03/90/01/449039001.db2.gz WUDAULYLIXFWPU-LBPRGKRZSA-N 1 3 344.394 1.067 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000601828434 449172096 /nfs/dbraw/zinc/17/20/96/449172096.db2.gz JTHZNMLIGFODMZ-HNNXBMFYSA-N 1 3 325.522 1.806 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000601828434 449172101 /nfs/dbraw/zinc/17/21/01/449172101.db2.gz JTHZNMLIGFODMZ-HNNXBMFYSA-N 1 3 325.522 1.806 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C2)CC1 ZINC000601975432 449256863 /nfs/dbraw/zinc/25/68/63/449256863.db2.gz PEKXAAVLADFQSR-SCTDSRPQSA-N 1 3 334.508 1.003 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945827 449271745 /nfs/dbraw/zinc/27/17/45/449271745.db2.gz OOJICILKVAUYLT-IRXDYDNUSA-N 1 3 347.459 1.042 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945827 449271751 /nfs/dbraw/zinc/27/17/51/449271751.db2.gz OOJICILKVAUYLT-IRXDYDNUSA-N 1 3 347.459 1.042 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617504628 449650199 /nfs/dbraw/zinc/65/01/99/449650199.db2.gz CGVIODIEQJWBLS-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cnnc2)cc1 ZINC000617504628 449650200 /nfs/dbraw/zinc/65/02/00/449650200.db2.gz CGVIODIEQJWBLS-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2(N)CCCC2)CC1 ZINC000594738067 449658592 /nfs/dbraw/zinc/65/85/92/449658592.db2.gz DPZLZNDSNUVHFR-CQSZACIVSA-N 1 3 339.480 1.428 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nn(C)c2c1CCCC2 ZINC000617502268 449644273 /nfs/dbraw/zinc/64/42/73/449644273.db2.gz JESASSTVUDUQIB-AWEZNQCLSA-N 1 3 335.496 1.301 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nn(C)c2c1CCCC2 ZINC000617502268 449644276 /nfs/dbraw/zinc/64/42/76/449644276.db2.gz JESASSTVUDUQIB-AWEZNQCLSA-N 1 3 335.496 1.301 20 0 EDADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000595010900 449840823 /nfs/dbraw/zinc/84/08/23/449840823.db2.gz JSTHPZGLXWGQEC-MRXNPFEDSA-N 1 3 327.513 1.972 20 0 EDADHO C[C@]1(NC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000612878732 449922483 /nfs/dbraw/zinc/92/24/83/449922483.db2.gz MHKLROCHXLNYQS-IBGZPJMESA-N 1 3 346.475 1.195 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000625943482 450539327 /nfs/dbraw/zinc/53/93/27/450539327.db2.gz HLMSROOOXGFUOC-INIZCTEOSA-N 1 3 330.432 1.774 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000625943482 450539329 /nfs/dbraw/zinc/53/93/29/450539329.db2.gz HLMSROOOXGFUOC-INIZCTEOSA-N 1 3 330.432 1.774 20 0 EDADHO CCN(CCCS(=O)(=O)NC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062048 450565882 /nfs/dbraw/zinc/56/58/82/450565882.db2.gz DQDRNRUEATXNIF-UHFFFAOYSA-N 1 3 327.494 1.509 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000626062257 450565992 /nfs/dbraw/zinc/56/59/92/450565992.db2.gz MVJBLQNORHCPEW-LJQANCHMSA-N 1 3 335.492 1.263 20 0 EDADHO CN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635069738 450621076 /nfs/dbraw/zinc/62/10/76/450621076.db2.gz QXHUITIMPILUTN-PKOBYXMFSA-N 1 3 331.460 1.203 20 0 EDADHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635069738 450621082 /nfs/dbraw/zinc/62/10/82/450621082.db2.gz QXHUITIMPILUTN-PKOBYXMFSA-N 1 3 331.460 1.203 20 0 EDADHO [NH3+]CCCOCCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629397835 450648778 /nfs/dbraw/zinc/64/87/78/450648778.db2.gz DNYVBKOIFATTNS-UHFFFAOYSA-N 1 3 332.404 1.303 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000631810466 450789615 /nfs/dbraw/zinc/78/96/15/450789615.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 1 3 345.487 1.252 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@H+]1C ZINC000631810466 450789619 /nfs/dbraw/zinc/78/96/19/450789619.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 1 3 345.487 1.252 20 0 EDADHO N[C@]12CCC[C@H]1C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777896 450863821 /nfs/dbraw/zinc/86/38/21/450863821.db2.gz IMCSPIVURPEIJU-LIRRHRJNSA-N 1 3 327.428 1.876 20 0 EDADHO N[C@]12CCC[C@H]1C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777896 450863823 /nfs/dbraw/zinc/86/38/23/450863823.db2.gz IMCSPIVURPEIJU-LIRRHRJNSA-N 1 3 327.428 1.876 20 0 EDADHO CN(CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000630008557 450948833 /nfs/dbraw/zinc/94/88/33/450948833.db2.gz VLBACSZUOZQOFF-UHFFFAOYSA-N 1 3 345.487 1.614 20 0 EDADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979336 /nfs/dbraw/zinc/97/93/36/450979336.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 1 3 338.492 1.228 20 0 EDADHO O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979341 /nfs/dbraw/zinc/97/93/41/450979341.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 1 3 338.492 1.228 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1CN(C)C ZINC000626892885 450989720 /nfs/dbraw/zinc/98/97/20/450989720.db2.gz IXLUXUDMKHGKCY-CJNGLKHVSA-N 1 3 332.448 1.252 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000626934352 451016248 /nfs/dbraw/zinc/01/62/48/451016248.db2.gz FEDAJHRYILMDIF-UHFFFAOYSA-N 1 3 348.491 1.312 20 0 EDADHO CCCCN(C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626976712 451046027 /nfs/dbraw/zinc/04/60/27/451046027.db2.gz NFMRTTIGTLLBCE-KRWDZBQOSA-N 1 3 340.512 1.518 20 0 EDADHO C[NH+](C)CC1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000635560986 451059570 /nfs/dbraw/zinc/05/95/70/451059570.db2.gz APLVSDJOBNMIOR-UHFFFAOYSA-N 1 3 345.487 1.601 20 0 EDADHO CCN(CC[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000626994566 451061395 /nfs/dbraw/zinc/06/13/95/451061395.db2.gz FCEAUGSYSDAPLL-UHFFFAOYSA-N 1 3 334.464 1.134 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccnc4ccnn43)CC2)CC1 ZINC000624937001 451069420 /nfs/dbraw/zinc/06/94/20/451069420.db2.gz VXZZQKCFXDDLTK-UHFFFAOYSA-N 1 3 342.447 1.018 20 0 EDADHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2nccn2c1 ZINC000628051486 451104880 /nfs/dbraw/zinc/10/48/80/451104880.db2.gz HNFAKJXXIKGXMA-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2nccn2c1 ZINC000628051486 451104885 /nfs/dbraw/zinc/10/48/85/451104885.db2.gz HNFAKJXXIKGXMA-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCN2CC[C@@H](O)C2)cc1 ZINC000627072054 451111883 /nfs/dbraw/zinc/11/18/83/451111883.db2.gz YDDQMXAJUFHOKZ-SJORKVTESA-N 1 3 334.464 1.176 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000627082372 451116123 /nfs/dbraw/zinc/11/61/23/451116123.db2.gz CELOIQJBCJCYEU-QGZVFWFLSA-N 1 3 330.432 1.375 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627198608 451182410 /nfs/dbraw/zinc/18/24/10/451182410.db2.gz MSKMNVSMQTVYRJ-SZVBFZGTSA-N 1 3 346.475 1.063 20 0 EDADHO C[C@H]1CCN(C(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000627214342 451191597 /nfs/dbraw/zinc/19/15/97/451191597.db2.gz JJVICGNJDKEYOI-KRWDZBQOSA-N 1 3 348.491 1.658 20 0 EDADHO C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331326 451202842 /nfs/dbraw/zinc/20/28/42/451202842.db2.gz KDUVDJWALUIFAN-JKSUJKDBSA-N 1 3 329.510 1.361 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638090219 451255848 /nfs/dbraw/zinc/25/58/48/451255848.db2.gz CIAKSVOYXSMNAC-UHFFFAOYSA-N 1 3 331.464 1.036 20 0 EDADHO COC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCCN1 ZINC000638108417 451276955 /nfs/dbraw/zinc/27/69/55/451276955.db2.gz MALGMHXBLUNIDE-GOSISDBHSA-N 1 3 341.496 1.151 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000638154628 451326062 /nfs/dbraw/zinc/32/60/62/451326062.db2.gz CKFFQRVSUHKSEU-TZMCWYRMSA-N 1 3 345.447 1.113 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)[nH]1 ZINC000638201073 451352680 /nfs/dbraw/zinc/35/26/80/451352680.db2.gz ARSHDBGHVZBEIB-UHFFFAOYSA-N 1 3 340.431 1.745 20 0 EDADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636657963 451389486 /nfs/dbraw/zinc/38/94/86/451389486.db2.gz KWSBFBQJJZUCFL-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO CN(Cc1ccccc1)C(=O)C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638391687 451481950 /nfs/dbraw/zinc/48/19/50/451481950.db2.gz YGSXVHJXOLGQPK-UHFFFAOYSA-N 1 3 333.476 1.470 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N(C)C ZINC000636073102 451488407 /nfs/dbraw/zinc/48/84/07/451488407.db2.gz IGODEPWFMCUPSY-QRFRQXIXSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N(C)C ZINC000636073102 451488414 /nfs/dbraw/zinc/48/84/14/451488414.db2.gz IGODEPWFMCUPSY-QRFRQXIXSA-N 1 3 345.487 1.591 20 0 EDADHO CN1CCN(c2ncc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000634732180 451512295 /nfs/dbraw/zinc/51/22/95/451512295.db2.gz AFMDAWGMCVIEOL-MRXNPFEDSA-N 1 3 332.496 1.096 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000638526778 451558530 /nfs/dbraw/zinc/55/85/30/451558530.db2.gz PSRSZZIUAYSIOF-SJORKVTESA-N 1 3 344.459 1.447 20 0 EDADHO NC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638546668 451571060 /nfs/dbraw/zinc/57/10/60/451571060.db2.gz GGKCHCFYSNTOTN-IHRRRGAJSA-N 1 3 329.366 1.715 20 0 EDADHO CC[C@@](C)([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640836461 451621277 /nfs/dbraw/zinc/62/12/77/451621277.db2.gz FDWRIOPHIRDSGE-MAUKXSAKSA-N 1 3 344.463 1.281 20 0 EDADHO O=C1CC[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCN1 ZINC000634960201 451625641 /nfs/dbraw/zinc/62/56/41/451625641.db2.gz LQTOEDHHRBAUOR-KRWDZBQOSA-N 1 3 331.460 1.402 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)OCCNC2 ZINC000638672245 451643441 /nfs/dbraw/zinc/64/34/41/451643441.db2.gz CCXFQPPTFQBWAH-UHFFFAOYSA-N 1 3 337.423 1.996 20 0 EDADHO CO[C@@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000638694008 451657286 /nfs/dbraw/zinc/65/72/86/451657286.db2.gz YPZUCWARSSPBSX-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNCCC1(F)F ZINC000638803818 451695361 /nfs/dbraw/zinc/69/53/61/451695361.db2.gz PJRAHJFQXIPNOJ-HZPDHXFCSA-N 1 3 337.414 1.870 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCCC1(F)F ZINC000638803818 451695366 /nfs/dbraw/zinc/69/53/66/451695366.db2.gz PJRAHJFQXIPNOJ-HZPDHXFCSA-N 1 3 337.414 1.870 20 0 EDADHO CCO[C@@H]1C[C@@](CO)(NC2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084812 451764872 /nfs/dbraw/zinc/76/48/72/451764872.db2.gz BJHQUPJAZFRPPS-QAPCUYQASA-N 1 3 328.497 1.377 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000639190570 451789036 /nfs/dbraw/zinc/78/90/36/451789036.db2.gz NTEDPUCPXZLFBI-ICSRJNTNSA-N 1 3 332.488 1.978 20 0 EDADHO CO[C@@]1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOC1 ZINC000639267358 451801937 /nfs/dbraw/zinc/80/19/37/451801937.db2.gz YOGBRHFVLWJGNL-LJQANCHMSA-N 1 3 334.460 1.409 20 0 EDADHO C[N@H+](CCCCNC(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000653343614 451856658 /nfs/dbraw/zinc/85/66/58/451856658.db2.gz SIVQCGNZHXPCON-UHFFFAOYSA-N 1 3 331.464 1.788 20 0 EDADHO C[N@@H+](CCCCNC(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000653343614 451856666 /nfs/dbraw/zinc/85/66/66/451856666.db2.gz SIVQCGNZHXPCON-UHFFFAOYSA-N 1 3 331.464 1.788 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000653369477 451881622 /nfs/dbraw/zinc/88/16/22/451881622.db2.gz RYIBIMIDKRTOLR-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000653369477 451881627 /nfs/dbraw/zinc/88/16/27/451881627.db2.gz RYIBIMIDKRTOLR-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO Cn1cncc1CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639501516 451907451 /nfs/dbraw/zinc/90/74/51/451907451.db2.gz SOYNGPDXLSCNPY-UHFFFAOYSA-N 1 3 349.523 1.379 20 0 EDADHO CN(CCN1CC[NH2+]CC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000649272135 451944295 /nfs/dbraw/zinc/94/42/95/451944295.db2.gz HOOWGKKHEQHKJZ-UHFFFAOYSA-N 1 3 344.503 1.262 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)CCN(C)C1)Cc1ccccc1 ZINC000649292625 451969050 /nfs/dbraw/zinc/96/90/50/451969050.db2.gz UFAITNCIPJBGII-HKUYNNGSSA-N 1 3 332.492 1.089 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637657725 452001923 /nfs/dbraw/zinc/00/19/23/452001923.db2.gz XUBSKFSANRGNQZ-QBPKDAKJSA-N 1 3 340.512 1.610 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637657725 452001928 /nfs/dbraw/zinc/00/19/28/452001928.db2.gz XUBSKFSANRGNQZ-QBPKDAKJSA-N 1 3 340.512 1.610 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(N)CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331705 452013712 /nfs/dbraw/zinc/01/37/12/452013712.db2.gz PFJVYVHJKMJRRW-OXJNMPFZSA-N 1 3 344.503 1.799 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNCCC2(F)F)[C@H](C)C1 ZINC000649334407 452015062 /nfs/dbraw/zinc/01/50/62/452015062.db2.gz DKZZZQKLWKZOKG-KFWWJZLASA-N 1 3 347.450 1.484 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CNCCC2(F)F)[C@H](C)C1 ZINC000649334407 452015067 /nfs/dbraw/zinc/01/50/67/452015067.db2.gz DKZZZQKLWKZOKG-KFWWJZLASA-N 1 3 347.450 1.484 20 0 EDADHO Cc1ccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c(CN(C)C)c1 ZINC000649334914 452016184 /nfs/dbraw/zinc/01/61/84/452016184.db2.gz WJUACPWSWPZEBG-CQSZACIVSA-N 1 3 328.420 1.435 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762176 452101214 /nfs/dbraw/zinc/10/12/14/452101214.db2.gz HHJGBFNZEOARDP-APWZRJJASA-N 1 3 339.524 1.660 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000639763935 452104945 /nfs/dbraw/zinc/10/49/45/452104945.db2.gz DXRAKZGGAQSENW-PKOBYXMFSA-N 1 3 336.476 1.432 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(CN(C)C)C2)c1 ZINC000639763935 452104954 /nfs/dbraw/zinc/10/49/54/452104954.db2.gz DXRAKZGGAQSENW-PKOBYXMFSA-N 1 3 336.476 1.432 20 0 EDADHO COC[C@H]1C[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651950731 452187463 /nfs/dbraw/zinc/18/74/63/452187463.db2.gz PBKDXRORFKTCSK-QZTJIDSGSA-N 1 3 334.460 1.743 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CC2CNC2)C1 ZINC000643516160 452280401 /nfs/dbraw/zinc/28/04/01/452280401.db2.gz VAVAYFZCJQJREB-GJZGRUSLSA-N 1 3 327.428 1.793 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)Cc2ccccc2C1 ZINC000659460389 452313423 /nfs/dbraw/zinc/31/34/23/452313423.db2.gz UZWJXXNPXGWHTO-HZPDHXFCSA-N 1 3 334.439 1.166 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000641918350 452346020 /nfs/dbraw/zinc/34/60/20/452346020.db2.gz KTQHHLWEIHJWOJ-PIIMJCKOSA-N 1 3 328.460 1.430 20 0 EDADHO CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]1C ZINC000665764139 452347159 /nfs/dbraw/zinc/34/71/59/452347159.db2.gz WANBDRAQLBMAIU-ULQDDVLXSA-N 1 3 342.528 1.715 20 0 EDADHO CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]1C ZINC000665764139 452347169 /nfs/dbraw/zinc/34/71/69/452347169.db2.gz WANBDRAQLBMAIU-ULQDDVLXSA-N 1 3 342.528 1.715 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000659544139 452402928 /nfs/dbraw/zinc/40/29/28/452402928.db2.gz PRXXYGGXLZJNSE-BFYDXBDKSA-N 1 3 338.496 1.304 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H](N2CC=CC2)C1 ZINC000659579942 452435100 /nfs/dbraw/zinc/43/51/00/452435100.db2.gz MRFGZTMIVLLXLY-IPMKNSEASA-N 1 3 340.471 1.788 20 0 EDADHO Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665894904 452447810 /nfs/dbraw/zinc/44/78/10/452447810.db2.gz YURLVFTYURHWIA-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665894904 452447819 /nfs/dbraw/zinc/44/78/19/452447819.db2.gz YURLVFTYURHWIA-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485116 452456524 /nfs/dbraw/zinc/45/65/24/452456524.db2.gz SHMNCENQUUKVAR-VQIMIIECSA-N 1 3 344.503 1.438 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000659607936 452464468 /nfs/dbraw/zinc/46/44/68/452464468.db2.gz HYAQCNAIZXWFTH-KRWDZBQOSA-N 1 3 338.496 1.271 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652278922 452465663 /nfs/dbraw/zinc/46/56/63/452465663.db2.gz FODRCMROKXWZDW-UHFFFAOYSA-N 1 3 326.416 1.004 20 0 EDADHO CC[C@@H]1CCCCN1C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346346 452520915 /nfs/dbraw/zinc/52/09/15/452520915.db2.gz ZFLSCWUWZLXISV-BSDSXHPESA-N 1 3 337.508 1.996 20 0 EDADHO C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000655708768 452525784 /nfs/dbraw/zinc/52/57/84/452525784.db2.gz OHABYRPDVJLQIS-MJGOQNOKSA-N 1 3 338.540 1.103 20 0 EDADHO C[C@H]1CN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CCCO1 ZINC000655760073 452560857 /nfs/dbraw/zinc/56/08/57/452560857.db2.gz WVDFHNDVLKGOFT-WMZOPIPTSA-N 1 3 325.497 1.330 20 0 EDADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000647833929 452568344 /nfs/dbraw/zinc/56/83/44/452568344.db2.gz UNEWGEMQWJCSIA-MJGOQNOKSA-N 1 3 344.503 1.750 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000659719938 452611368 /nfs/dbraw/zinc/61/13/68/452611368.db2.gz NQHVJYOLTSBAJQ-INIZCTEOSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924875 452691937 /nfs/dbraw/zinc/69/19/37/452691937.db2.gz SCXBPUBKZFRGER-XBFCOCLRSA-N 1 3 344.381 1.696 20 0 EDADHO Cc1nc(NCC2([NH+](C)C)CC2)nc(NCC2(N(C)C)CC2)c1F ZINC000664022559 452723572 /nfs/dbraw/zinc/72/35/72/452723572.db2.gz RRQNRQXFSOIAMJ-UHFFFAOYSA-N 1 3 336.459 1.936 20 0 EDADHO Cc1nc(NCC2(N(C)C)CC2)nc(NCC2([NH+](C)C)CC2)c1F ZINC000664022559 452723585 /nfs/dbraw/zinc/72/35/85/452723585.db2.gz RRQNRQXFSOIAMJ-UHFFFAOYSA-N 1 3 336.459 1.936 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655962558 452744256 /nfs/dbraw/zinc/74/42/56/452744256.db2.gz ONTYOMRPICAQCM-ROUUACIJSA-N 1 3 345.491 1.877 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000643937105 452832121 /nfs/dbraw/zinc/83/21/21/452832121.db2.gz XOBZATPSGYIQPE-UHFFFAOYSA-N 1 3 346.475 1.648 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659980126 452889356 /nfs/dbraw/zinc/88/93/56/452889356.db2.gz RFIUDUDFOSWTDT-BSDSXHPESA-N 1 3 337.508 1.866 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000650720960 452950238 /nfs/dbraw/zinc/95/02/38/452950238.db2.gz JPLYXKFWYWNWRE-WBVHZDCISA-N 1 3 330.476 1.590 20 0 EDADHO C[C@@H](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)[NH+](C)C ZINC000658425157 452952019 /nfs/dbraw/zinc/95/20/19/452952019.db2.gz FGNGRRCBLJHYHZ-AWEZNQCLSA-N 1 3 334.464 1.186 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002828 452998098 /nfs/dbraw/zinc/99/80/98/452998098.db2.gz GTPQVNRVPQHFBN-OKZBNKHCSA-N 1 3 336.524 1.523 20 0 EDADHO O=C(CC[NH2+]C1(CO)CCNCC1)N[C@@H]1CCCc2ccccc21 ZINC000662286271 453012346 /nfs/dbraw/zinc/01/23/46/453012346.db2.gz XJSPDNCUVFBDMX-QGZVFWFLSA-N 1 3 331.460 1.274 20 0 EDADHO Cc1ncccc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337620 453056183 /nfs/dbraw/zinc/05/61/83/453056183.db2.gz MDROASKRDCEAFZ-KRWDZBQOSA-N 1 3 340.475 1.902 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000662384812 453095199 /nfs/dbraw/zinc/09/51/99/453095199.db2.gz XEXSBVYJTBHMAN-SFHVURJKSA-N 1 3 332.492 1.438 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000666801381 453156046 /nfs/dbraw/zinc/15/60/46/453156046.db2.gz JURSRYNQUXMADF-HNNXBMFYSA-N 1 3 334.464 1.566 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC([C@@H]4CCOC4)C3)CC2)CC1 ZINC000655041735 453160976 /nfs/dbraw/zinc/16/09/76/453160976.db2.gz XMCDUIRLQZFFSZ-QGZVFWFLSA-N 1 3 349.519 1.678 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000646189608 453202977 /nfs/dbraw/zinc/20/29/77/453202977.db2.gz XOXXQYHBMMCELL-FUHWJXTLSA-N 1 3 328.460 1.738 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000646189608 453202986 /nfs/dbraw/zinc/20/29/86/453202986.db2.gz XOXXQYHBMMCELL-FUHWJXTLSA-N 1 3 328.460 1.738 20 0 EDADHO COC1CCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662492429 453209664 /nfs/dbraw/zinc/20/96/64/453209664.db2.gz KCPVXNNNIOTPSK-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000666926812 453255750 /nfs/dbraw/zinc/25/57/50/453255750.db2.gz ZDBXKCBOGPPSFY-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000660403541 453277285 /nfs/dbraw/zinc/27/72/85/453277285.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000660403541 453277290 /nfs/dbraw/zinc/27/72/90/453277290.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cc(C2CC[NH2+]CC2)no1 ZINC000662564917 453293118 /nfs/dbraw/zinc/29/31/18/453293118.db2.gz ZJHFVRXNLIYKGS-UHFFFAOYSA-N 1 3 342.399 1.876 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112967 453300013 /nfs/dbraw/zinc/30/00/13/453300013.db2.gz OEYHSKOEYSKUCT-SJORKVTESA-N 1 3 331.460 1.774 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653158759 453350948 /nfs/dbraw/zinc/35/09/48/453350948.db2.gz KQLKFPRZBNWDIY-ZWKOTPCHSA-N 1 3 348.491 1.227 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000667067778 453383459 /nfs/dbraw/zinc/38/34/59/453383459.db2.gz MRCQWCCEIABZEF-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO CC1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662678904 453398278 /nfs/dbraw/zinc/39/82/78/453398278.db2.gz JXGPDIPBEWKOOR-HNNXBMFYSA-N 1 3 334.468 1.054 20 0 EDADHO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298669 453421510 /nfs/dbraw/zinc/42/15/10/453421510.db2.gz CFXQZLSRPRYBHF-ZWKOTPCHSA-N 1 3 329.444 1.173 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC(C)CC1 ZINC000662702007 453423670 /nfs/dbraw/zinc/42/36/70/453423670.db2.gz WBFVYUBNMXQSIG-HZPDHXFCSA-N 1 3 348.495 1.443 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662710565 453434778 /nfs/dbraw/zinc/43/47/78/453434778.db2.gz HKXPSRGMGVLSHH-BZUAXINKSA-N 1 3 348.495 1.585 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662717926 453442149 /nfs/dbraw/zinc/44/21/49/453442149.db2.gz DVABZGUNBBZGMD-VDHUWJSZSA-N 1 3 331.460 1.520 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000655444621 453532099 /nfs/dbraw/zinc/53/20/99/453532099.db2.gz KTPWAYGBNZMDNO-UHFFFAOYSA-N 1 3 344.459 1.465 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000665049017 453553624 /nfs/dbraw/zinc/55/36/24/453553624.db2.gz ZOKYRBQWUGXKKW-RRFJBIMHSA-N 1 3 336.484 1.460 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000665049017 453553627 /nfs/dbraw/zinc/55/36/27/453553627.db2.gz ZOKYRBQWUGXKKW-RRFJBIMHSA-N 1 3 336.484 1.460 20 0 EDADHO CN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000667338774 453568948 /nfs/dbraw/zinc/56/89/48/453568948.db2.gz QNJRIWWORWCIDU-GOSISDBHSA-N 1 3 334.508 1.987 20 0 EDADHO NC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC2(CCC2)C1 ZINC000662860647 453575647 /nfs/dbraw/zinc/57/56/47/453575647.db2.gz SOSOQLFHOZAZQH-QGZVFWFLSA-N 1 3 343.471 1.531 20 0 EDADHO NC1(C(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC2(CCC2)C1 ZINC000662860647 453575652 /nfs/dbraw/zinc/57/56/52/453575652.db2.gz SOSOQLFHOZAZQH-QGZVFWFLSA-N 1 3 343.471 1.531 20 0 EDADHO [NH3+]Cc1ccc(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)cc1 ZINC000662860709 453576277 /nfs/dbraw/zinc/57/62/77/453576277.db2.gz UOHSUUZLGJXBHQ-LJQANCHMSA-N 1 3 339.439 1.642 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860706 453576364 /nfs/dbraw/zinc/57/63/64/453576364.db2.gz ULMWNAADZQMGRC-ROUUACIJSA-N 1 3 347.503 1.894 20 0 EDADHO C[NH+]1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000660822891 453587230 /nfs/dbraw/zinc/58/72/30/453587230.db2.gz WIEFPUVWBOLCIQ-UHFFFAOYSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660822530 453587488 /nfs/dbraw/zinc/58/74/88/453587488.db2.gz DILACLGCMJZGBG-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000659095329 453627977 /nfs/dbraw/zinc/62/79/77/453627977.db2.gz CEOWNHGRGXXELQ-CQSZACIVSA-N 1 3 332.448 1.381 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659100863 453632913 /nfs/dbraw/zinc/63/29/13/453632913.db2.gz YICYDOOENUXUPD-UHFFFAOYSA-N 1 3 346.475 1.855 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283224 453634798 /nfs/dbraw/zinc/63/47/98/453634798.db2.gz JKNUOVWPTJJESJ-VAMGGRTRSA-N 1 3 330.520 1.910 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000665283224 453634800 /nfs/dbraw/zinc/63/48/00/453634800.db2.gz JKNUOVWPTJJESJ-VAMGGRTRSA-N 1 3 330.520 1.910 20 0 EDADHO C[C@@]1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000663012279 453646507 /nfs/dbraw/zinc/64/65/07/453646507.db2.gz VLKFAGCIZDLANB-LJQANCHMSA-N 1 3 330.476 1.457 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1NCc2ccccc21 ZINC000659307087 453709000 /nfs/dbraw/zinc/70/90/00/453709000.db2.gz LCTDGTMYVVRRMC-WBVHZDCISA-N 1 3 344.459 1.067 20 0 EDADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663453029 453802524 /nfs/dbraw/zinc/80/25/24/453802524.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO CCN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000663453029 453802527 /nfs/dbraw/zinc/80/25/27/453802527.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390069 486704173 /nfs/dbraw/zinc/70/41/73/486704173.db2.gz SEHJEGRKYCLZNL-SFHVURJKSA-N 1 3 343.475 1.930 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667537214 486829847 /nfs/dbraw/zinc/82/98/47/486829847.db2.gz TYMGHJGGCGTFCT-RDJZCZTQSA-N 1 3 344.459 1.206 20 0 EDADHO CCc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000667640975 486893566 /nfs/dbraw/zinc/89/35/66/486893566.db2.gz GFWPLDHHOATNOZ-UHFFFAOYSA-N 1 3 344.503 1.861 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000677332254 487046705 /nfs/dbraw/zinc/04/67/05/487046705.db2.gz ARDSVRYRJUIJCP-ZWKOTPCHSA-N 1 3 334.508 1.844 20 0 EDADHO C[C@@H]1CN(CC(C)(C)O)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682166776 487312532 /nfs/dbraw/zinc/31/25/32/487312532.db2.gz HBMBYYHEXSDURJ-QGZVFWFLSA-N 1 3 349.519 1.904 20 0 EDADHO O[C@@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)CN1CCCC1 ZINC000678895843 487376992 /nfs/dbraw/zinc/37/69/92/487376992.db2.gz UBXAWPQFBAWZFY-QFBILLFUSA-N 1 3 332.444 1.955 20 0 EDADHO CC1CCN([C@@H](CNC(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000669402563 486072580 /nfs/dbraw/zinc/07/25/80/486072580.db2.gz GUIDMBOOZNDTQM-SFHVURJKSA-N 1 3 330.476 1.978 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000669422801 486144795 /nfs/dbraw/zinc/14/47/95/486144795.db2.gz WJDXYSCHIYNSMJ-CQSZACIVSA-N 1 3 334.464 1.554 20 0 EDADHO CN(Cc1cn(C2CCC2)nn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668160799 486183385 /nfs/dbraw/zinc/18/33/85/486183385.db2.gz HDKZQOCVTVIVKH-GOSISDBHSA-N 1 3 332.496 1.603 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000174993475 486208526 /nfs/dbraw/zinc/20/85/26/486208526.db2.gz UXMMIFAJDBEJSF-HZMVEIRTSA-N 1 3 338.496 1.364 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000174993475 486208533 /nfs/dbraw/zinc/20/85/33/486208533.db2.gz UXMMIFAJDBEJSF-HZMVEIRTSA-N 1 3 338.496 1.364 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000669491360 486263652 /nfs/dbraw/zinc/26/36/52/486263652.db2.gz WPWLIAAAOODYSX-IAGOWNOFSA-N 1 3 334.508 1.890 20 0 EDADHO CN(C)C1(CNC(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000669496360 486270609 /nfs/dbraw/zinc/27/06/09/486270609.db2.gz CLISKBHJCQHCFP-QGZVFWFLSA-N 1 3 330.476 1.527 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000127606935 491016779 /nfs/dbraw/zinc/01/67/79/491016779.db2.gz JBVFJURHNPATQT-GJZGRUSLSA-N 1 3 329.448 1.538 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262659084 536448583 /nfs/dbraw/zinc/44/85/83/536448583.db2.gz FLJOHVMPCLUJOZ-CYBMUJFWSA-N 1 3 347.463 1.696 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000237257821 536448590 /nfs/dbraw/zinc/44/85/90/536448590.db2.gz HRKFVXZZDZMRJD-CQSZACIVSA-N 1 3 332.448 1.306 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131994298 529105013 /nfs/dbraw/zinc/10/50/13/529105013.db2.gz AJNRFXKRRYTHMS-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131994298 529105014 /nfs/dbraw/zinc/10/50/14/529105014.db2.gz AJNRFXKRRYTHMS-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C)C(C)C ZINC000339612016 535066433 /nfs/dbraw/zinc/06/64/33/535066433.db2.gz HJQNKIGSISWQPN-CVEARBPZSA-N 1 3 340.512 1.020 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340176207 535698734 /nfs/dbraw/zinc/69/87/34/535698734.db2.gz CBTPVVYZSZNNSM-UHFFFAOYSA-N 1 3 345.553 1.207 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996086 535714552 /nfs/dbraw/zinc/71/45/52/535714552.db2.gz VMRJXJZBUDHUJU-CVEARBPZSA-N 1 3 326.529 1.543 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889881 /nfs/dbraw/zinc/88/98/81/535889881.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 1 3 344.503 1.694 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889886 /nfs/dbraw/zinc/88/98/86/535889886.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 1 3 344.503 1.694 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1(C)CCC1 ZINC000746149439 579574007 /nfs/dbraw/zinc/57/40/07/579574007.db2.gz FHGGCLLFRMBLQU-INIZCTEOSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC1(C)CCC1 ZINC000746149439 579574009 /nfs/dbraw/zinc/57/40/09/579574009.db2.gz FHGGCLLFRMBLQU-INIZCTEOSA-N 1 3 325.497 1.820 20 0 EDADHO Cc1ccccc1[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764479207 580121419 /nfs/dbraw/zinc/12/14/19/580121419.db2.gz MHWJYQLMVMGXRU-YZGWKJHDSA-N 1 3 331.504 1.986 20 0 EDADHO CCCCCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771036663 580277936 /nfs/dbraw/zinc/27/79/36/580277936.db2.gz AKGXNMGAHXNFFS-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO O[C@@H](CN1CCCC1)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800408604 581052458 /nfs/dbraw/zinc/05/24/58/581052458.db2.gz YNHUJKRLVBFQHT-IBGZPJMESA-N 1 3 329.488 1.970 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000893249411 590735095 /nfs/dbraw/zinc/73/50/95/590735095.db2.gz QWHSWCNTFJMOMK-IAGOWNOFSA-N 1 3 338.496 1.101 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000892050835 590774479 /nfs/dbraw/zinc/77/44/79/590774479.db2.gz HDBAPFFCSKDZLC-QGZVFWFLSA-N 1 3 334.464 1.105 20 0 EDADHO [NH3+][C@@H](CCNC(=O)N[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000892157512 590829427 /nfs/dbraw/zinc/82/94/27/590829427.db2.gz UDIDWIKRACVMBQ-KBPBESRZSA-N 1 3 326.391 1.243 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000892241715 590882654 /nfs/dbraw/zinc/88/26/54/590882654.db2.gz RXVWSGJCCFQQOQ-RHSMWYFYSA-N 1 3 331.464 1.425 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000891009014 590910805 /nfs/dbraw/zinc/91/08/05/590910805.db2.gz LGHFWQRHTKWXGQ-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342706 590970984 /nfs/dbraw/zinc/97/09/84/590970984.db2.gz MLTGIHDSSUVOOB-KSSFIOAISA-N 1 3 330.476 1.814 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000892479720 591041728 /nfs/dbraw/zinc/04/17/28/591041728.db2.gz LQFYPITYOQQSDJ-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000892479720 591041732 /nfs/dbraw/zinc/04/17/32/591041732.db2.gz LQFYPITYOQQSDJ-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891339473 591049888 /nfs/dbraw/zinc/04/98/88/591049888.db2.gz BUYUYLDHMJXWGA-ROUUACIJSA-N 1 3 328.460 1.449 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891349475 591054258 /nfs/dbraw/zinc/05/42/58/591054258.db2.gz IJZDFFAADRFYDP-UPJWGTAASA-N 1 3 336.402 1.639 20 0 EDADHO CN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000892562423 591073156 /nfs/dbraw/zinc/07/31/56/591073156.db2.gz FBRYCDBSTPBJPN-IYBDPMFKSA-N 1 3 345.491 1.467 20 0 EDADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891557386 591124275 /nfs/dbraw/zinc/12/42/75/591124275.db2.gz PYSGVLNFJCBQOU-BZSNNMDCSA-N 1 3 328.460 1.969 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557627 591124356 /nfs/dbraw/zinc/12/43/56/591124356.db2.gz UBCBIOPDKIQOJZ-FGTMMUONSA-N 1 3 328.460 1.797 20 0 EDADHO CCN(C(=O)NC1CCN(CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000891635122 591160247 /nfs/dbraw/zinc/16/02/47/591160247.db2.gz JSOWKZMXFZYQFC-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CCSC1 ZINC000891639756 591162698 /nfs/dbraw/zinc/16/26/98/591162698.db2.gz SSGWKSKKMUJCOI-WMZOPIPTSA-N 1 3 348.516 1.437 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642856 591164230 /nfs/dbraw/zinc/16/42/30/591164230.db2.gz AALSZADIGDBCBT-OWLYRPNTSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CN1C1CC1 ZINC000891658960 591172326 /nfs/dbraw/zinc/17/23/26/591172326.db2.gz BXRYEWCSQDWTFA-DCQANWLSSA-N 1 3 334.386 1.390 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892783295 591174969 /nfs/dbraw/zinc/17/49/69/591174969.db2.gz KRRQZWQOQSNSBV-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@H]21 ZINC000892792615 591177972 /nfs/dbraw/zinc/17/79/72/591177972.db2.gz PRTWAGIXIKBKQO-KZNAEPCWSA-N 1 3 328.460 1.437 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@H]21 ZINC000892792615 591177973 /nfs/dbraw/zinc/17/79/73/591177973.db2.gz PRTWAGIXIKBKQO-KZNAEPCWSA-N 1 3 328.460 1.437 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000892788105 591178530 /nfs/dbraw/zinc/17/85/30/591178530.db2.gz BHUCOTPFQSKVDW-RBUKOAKNSA-N 1 3 342.487 1.732 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892804434 591184061 /nfs/dbraw/zinc/18/40/61/591184061.db2.gz FNQKRDOPKYXMTR-LPHOPBHVSA-N 1 3 342.487 1.828 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891748508 591209512 /nfs/dbraw/zinc/20/95/12/591209512.db2.gz RSAVPYUOQCINFT-ZWKOTPCHSA-N 1 3 343.475 1.834 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CCN(C)CC1 ZINC000891766437 591216912 /nfs/dbraw/zinc/21/69/12/591216912.db2.gz UDQJOCRERCFCLH-UHTWSYAYSA-N 1 3 334.386 1.415 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892944849 591233414 /nfs/dbraw/zinc/23/34/14/591233414.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 1 3 338.496 1.101 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000892944849 591233416 /nfs/dbraw/zinc/23/34/16/591233416.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 1 3 338.496 1.101 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)C2)CC1 ZINC000892948227 591235486 /nfs/dbraw/zinc/23/54/86/591235486.db2.gz OKLVXDIJRAAGKS-XIRDDKMYSA-N 1 3 341.471 1.378 20 0 EDADHO Cn1cc([C@@H]2C[N@H+](CC3CCN(C)CC3)CC23CCOCC3)cn1 ZINC000894708153 591393764 /nfs/dbraw/zinc/39/37/64/591393764.db2.gz TXCRRLBKRFLHKZ-SFHVURJKSA-N 1 3 332.492 1.958 20 0 EDADHO Cn1cc([C@@H]2C[N@@H+](CC3CCN(C)CC3)CC23CCOCC3)cn1 ZINC000894708153 591393768 /nfs/dbraw/zinc/39/37/68/591393768.db2.gz TXCRRLBKRFLHKZ-SFHVURJKSA-N 1 3 332.492 1.958 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000897436362 591423821 /nfs/dbraw/zinc/42/38/21/591423821.db2.gz XOKZORZQGLFDJJ-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO CSC1(CNC(=O)N2CCC23CCN(C)CC3)CC[NH+](C)CC1 ZINC000894950928 591496948 /nfs/dbraw/zinc/49/69/48/591496948.db2.gz DZEPMZLRZWJUGD-UHFFFAOYSA-N 1 3 340.537 1.694 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000897497864 591500607 /nfs/dbraw/zinc/50/06/07/591500607.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000897497864 591500608 /nfs/dbraw/zinc/50/06/08/591500608.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnn1CCN(C)C ZINC000900214209 591944958 /nfs/dbraw/zinc/94/49/58/591944958.db2.gz BPIOVGSILHFQCK-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnn1CCN(C)C ZINC000900214209 591944962 /nfs/dbraw/zinc/94/49/62/591944962.db2.gz BPIOVGSILHFQCK-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417456 592013243 /nfs/dbraw/zinc/01/32/43/592013243.db2.gz NTAKPHSQKAQIAI-LJQANCHMSA-N 1 3 337.508 1.604 20 0 EDADHO Cc1ccc(NC(=O)CONC(=N)[C@H]2CN3CCC[C@H]3CO2)c(C)c1 ZINC000902810983 592068435 /nfs/dbraw/zinc/06/84/35/592068435.db2.gz GVBZFEFXEOGTFO-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1ccc(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000902810983 592068438 /nfs/dbraw/zinc/06/84/38/592068438.db2.gz GVBZFEFXEOGTFO-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1ccc(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)c1 ZINC000902810983 592068440 /nfs/dbraw/zinc/06/84/40/592068440.db2.gz GVBZFEFXEOGTFO-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076444 592116161 /nfs/dbraw/zinc/11/61/61/592116161.db2.gz QAACUOHOSJZRIZ-GJZGRUSLSA-N 1 3 341.496 1.869 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]([C@H]2CCCO2)N1 ZINC000903173275 592130384 /nfs/dbraw/zinc/13/03/84/592130384.db2.gz XYWTVGRTZINJNX-FOOGKFFMSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]([C@H]2CCCO2)N1 ZINC000903173275 592130386 /nfs/dbraw/zinc/13/03/86/592130386.db2.gz XYWTVGRTZINJNX-FOOGKFFMSA-N 1 3 333.476 1.560 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@H]2CCC[C@@H]21 ZINC000903181663 592131977 /nfs/dbraw/zinc/13/19/77/592131977.db2.gz UBXBYIQUSVEIDN-SQNIBIBYSA-N 1 3 343.471 1.870 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@H]2CCC[C@@H]21 ZINC000903181663 592131979 /nfs/dbraw/zinc/13/19/79/592131979.db2.gz UBXBYIQUSVEIDN-SQNIBIBYSA-N 1 3 343.471 1.870 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903426041 592167761 /nfs/dbraw/zinc/16/77/61/592167761.db2.gz CBSPJBKHJIPZTH-GOSISDBHSA-N 1 3 333.432 1.262 20 0 EDADHO C[C@@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000903459654 592171770 /nfs/dbraw/zinc/17/17/70/592171770.db2.gz WDLLCAFLVOCNJC-CABCVRRESA-N 1 3 345.443 1.216 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903497221 592188181 /nfs/dbraw/zinc/18/81/81/592188181.db2.gz QMQGZEMIBZDSKI-HUUCEWRRSA-N 1 3 337.439 1.628 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906646616 592231606 /nfs/dbraw/zinc/23/16/06/592231606.db2.gz UZVINPOMYNXOCR-CQSZACIVSA-N 1 3 346.475 1.810 20 0 EDADHO [NH3+]CCN1CCC(N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000904366292 592242341 /nfs/dbraw/zinc/24/23/41/592242341.db2.gz HRRHIOBEQLEUOQ-INIZCTEOSA-N 1 3 334.439 1.334 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908010153 592261318 /nfs/dbraw/zinc/26/13/18/592261318.db2.gz SJFAKWLGTPXLFP-YFHOEESVSA-N 1 3 331.460 1.849 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473879 592268410 /nfs/dbraw/zinc/26/84/10/592268410.db2.gz UXIIVQVZCIEMBH-KZNAEPCWSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473879 592268413 /nfs/dbraw/zinc/26/84/13/592268413.db2.gz UXIIVQVZCIEMBH-KZNAEPCWSA-N 1 3 334.508 1.985 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904505008 592273786 /nfs/dbraw/zinc/27/37/86/592273786.db2.gz VRRXOTNHCOFSCN-ZWKOTPCHSA-N 1 3 344.459 1.395 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000904511113 592274653 /nfs/dbraw/zinc/27/46/53/592274653.db2.gz VNCWXZXJDSBJTE-ROUUACIJSA-N 1 3 346.475 1.859 20 0 EDADHO O=C(NCC(F)(F)F)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723606 592284111 /nfs/dbraw/zinc/28/41/11/592284111.db2.gz WWGFWXKOSKCNHE-UKRRQHHQSA-N 1 3 349.397 1.146 20 0 EDADHO CCN1C[C@H](CN(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731968 592287954 /nfs/dbraw/zinc/28/79/54/592287954.db2.gz BKQALJSWPZHXSS-UWVAXJGDSA-N 1 3 345.487 1.974 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713524 592291280 /nfs/dbraw/zinc/29/12/80/592291280.db2.gz ULTPLJBIGOLKIM-UPJWGTAASA-N 1 3 337.386 1.273 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000904597602 592292787 /nfs/dbraw/zinc/29/27/87/592292787.db2.gz KUSUBJQODBXKND-MRXNPFEDSA-N 1 3 334.464 1.849 20 0 EDADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904602669 592293705 /nfs/dbraw/zinc/29/37/05/592293705.db2.gz STRNZAALFFPSLA-UHFFFAOYSA-N 1 3 349.479 1.364 20 0 EDADHO COC(=O)c1cc(C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779083 592318781 /nfs/dbraw/zinc/31/87/81/592318781.db2.gz TZSOEUKVZIQXAT-RDTXWAMCSA-N 1 3 349.431 1.409 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(CCO)[C@H]2CCc3ccccc32)cnn1C ZINC000903893179 592366722 /nfs/dbraw/zinc/36/67/22/592366722.db2.gz RXSMLXKFFHWSGI-UZLBHIALSA-N 1 3 342.487 1.828 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cnn1C ZINC000903898744 592368470 /nfs/dbraw/zinc/36/84/70/592368470.db2.gz OKKGYCGJVPAKGF-QGPMSJSTSA-N 1 3 330.480 1.626 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932164 592383292 /nfs/dbraw/zinc/38/32/92/592383292.db2.gz NJUQYEOSUCHWKO-LPHOPBHVSA-N 1 3 328.460 1.999 20 0 EDADHO CCOC(=O)N1CCC(N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972710 592397339 /nfs/dbraw/zinc/39/73/39/592397339.db2.gz KIBIAMBUKOIROE-OAHLLOKOSA-N 1 3 325.453 1.356 20 0 EDADHO O=C(c1ccoc1)N1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974680 592398438 /nfs/dbraw/zinc/39/84/38/592398438.db2.gz WAONBVCPYMFNEK-KRWDZBQOSA-N 1 3 347.459 1.633 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987612 592406358 /nfs/dbraw/zinc/40/63/58/592406358.db2.gz HWAKVKWKKJPALJ-CABCVRRESA-N 1 3 336.505 1.595 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987612 592406363 /nfs/dbraw/zinc/40/63/63/592406363.db2.gz HWAKVKWKKJPALJ-CABCVRRESA-N 1 3 336.505 1.595 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110928 592411960 /nfs/dbraw/zinc/41/19/60/592411960.db2.gz SQBHMXTXYUIOQG-SJLPKXTDSA-N 1 3 339.524 1.048 20 0 EDADHO CC(C)c1ccc([C@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905330676 592507682 /nfs/dbraw/zinc/50/76/82/592507682.db2.gz WBFNNFCIBZMXQC-QGZVFWFLSA-N 1 3 339.505 1.729 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)N(C)C)cc1 ZINC000905391273 592517178 /nfs/dbraw/zinc/51/71/78/592517178.db2.gz HFGNAOMDIWQPMP-LJQANCHMSA-N 1 3 346.519 1.461 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C2CN(C)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000905391273 592517181 /nfs/dbraw/zinc/51/71/81/592517181.db2.gz HFGNAOMDIWQPMP-LJQANCHMSA-N 1 3 346.519 1.461 20 0 EDADHO CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500977 592545736 /nfs/dbraw/zinc/54/57/36/592545736.db2.gz DGHQDFOQXYKBOM-RWQQGDIJSA-N 1 3 346.475 1.480 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504872 592546916 /nfs/dbraw/zinc/54/69/16/592546916.db2.gz ZMEVAMMKEDYPQF-UEDWAMCQSA-N 1 3 332.488 1.659 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000908597579 592548353 /nfs/dbraw/zinc/54/83/53/592548353.db2.gz GOXREFKJWJGGSV-UHFFFAOYSA-N 1 3 333.476 1.713 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C2CN(C)CCN(C)C2)cc1 ZINC000907649315 592755466 /nfs/dbraw/zinc/75/54/66/592755466.db2.gz CJQGLNADQMLUKK-UHFFFAOYSA-N 1 3 332.492 1.960 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906521191 592839489 /nfs/dbraw/zinc/83/94/89/592839489.db2.gz RIFANQLOLAIZRB-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO CCC[C@@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)N(C)C ZINC000910863250 592897852 /nfs/dbraw/zinc/89/78/52/592897852.db2.gz ANCQOBSSYSAQSU-KRWDZBQOSA-N 1 3 327.513 1.658 20 0 EDADHO CCC[C@@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)N(C)C ZINC000910863250 592897853 /nfs/dbraw/zinc/89/78/53/592897853.db2.gz ANCQOBSSYSAQSU-KRWDZBQOSA-N 1 3 327.513 1.658 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000911633405 592971020 /nfs/dbraw/zinc/97/10/20/592971020.db2.gz SKUOHWKKXZOEGM-FJIDUMEYSA-N 1 3 331.460 1.705 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000802406627 593250611 /nfs/dbraw/zinc/25/06/11/593250611.db2.gz XEWGBUPNHCZTGD-QGZVFWFLSA-N 1 3 348.491 1.515 20 0 EDADHO Cc1ccc(N2CC[C@H](N(C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781470 593287495 /nfs/dbraw/zinc/28/74/95/593287495.db2.gz HWYQFJYPISHQOJ-IBGZPJMESA-N 1 3 346.519 1.916 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810395292 593398244 /nfs/dbraw/zinc/39/82/44/593398244.db2.gz LBOXLFGFLVXPOV-SFHVURJKSA-N 1 3 343.487 1.768 20 0 EDADHO CN1C[C@H]2CCN(C(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000816953422 593562957 /nfs/dbraw/zinc/56/29/57/593562957.db2.gz HCHQLOAEKIHRLI-VYYLWUJASA-N 1 3 343.471 1.803 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817891124 593645746 /nfs/dbraw/zinc/64/57/46/593645746.db2.gz GOKJYKSMLALMQP-UWVGGRQHSA-N 1 3 331.404 1.263 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821189483 593986251 /nfs/dbraw/zinc/98/62/51/593986251.db2.gz MSZYUYFNQKAMOR-MRXNPFEDSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821189483 593986253 /nfs/dbraw/zinc/98/62/53/593986253.db2.gz MSZYUYFNQKAMOR-MRXNPFEDSA-N 1 3 344.463 1.799 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864683 594293275 /nfs/dbraw/zinc/29/32/75/594293275.db2.gz XHBYBBALBURIKX-SFHVURJKSA-N 1 3 337.508 1.916 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314521 594389601 /nfs/dbraw/zinc/38/96/01/594389601.db2.gz JLXVDPIFTUHLDP-GOSISDBHSA-N 1 3 345.487 1.796 20 0 EDADHO C[C@@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000831267932 594595699 /nfs/dbraw/zinc/59/56/99/594595699.db2.gz SANYYYZRAGNHAQ-IAGOWNOFSA-N 1 3 339.528 1.173 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000841017655 594839864 /nfs/dbraw/zinc/83/98/64/594839864.db2.gz HLZACSBTQUTOJK-FVQHAEBGSA-N 1 3 329.448 1.168 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000841020469 594840883 /nfs/dbraw/zinc/84/08/83/594840883.db2.gz RQQGQQGRMDYWJO-UONOGXRCSA-N 1 3 332.448 1.635 20 0 EDADHO NC[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000841850323 594965157 /nfs/dbraw/zinc/96/51/57/594965157.db2.gz LDZXUNUNNZDIFF-MSOLQXFVSA-N 1 3 327.428 1.724 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000841897546 594976327 /nfs/dbraw/zinc/97/63/27/594976327.db2.gz ZRRRJFXCUBQCME-PKOBYXMFSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CCCCC1 ZINC000842015429 595003119 /nfs/dbraw/zinc/00/31/19/595003119.db2.gz LHJKTBMTHRCHBM-GOEBONIOSA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)(C)OC(=O)NCCC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000845926833 595097579 /nfs/dbraw/zinc/09/75/79/595097579.db2.gz STQOOVNTCAXHFI-GPANFISMSA-N 1 3 341.496 1.726 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843476700 595123866 /nfs/dbraw/zinc/12/38/66/595123866.db2.gz JPPZQAIKUMPISB-INIZCTEOSA-N 1 3 337.439 1.485 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834776398 595208761 /nfs/dbraw/zinc/20/87/61/595208761.db2.gz ZGAVVJZANAVJTD-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)n1 ZINC000834805402 595217725 /nfs/dbraw/zinc/21/77/25/595217725.db2.gz RLSJCCZJCBKVPB-GUTXKFCHSA-N 1 3 336.867 1.891 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000844170958 595290357 /nfs/dbraw/zinc/29/03/57/595290357.db2.gz VPVCQZCSDSMPHU-MSOLQXFVSA-N 1 3 331.460 1.708 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844172824 595291495 /nfs/dbraw/zinc/29/14/95/595291495.db2.gz ZFSQPWQSMOABGE-LJQANCHMSA-N 1 3 345.487 1.844 20 0 EDADHO C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H]2CNCCO2)n1 ZINC000843187337 595301283 /nfs/dbraw/zinc/30/12/83/595301283.db2.gz NKBGXCXGSWBJOM-CYBMUJFWSA-N 1 3 332.404 1.208 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220840 595306024 /nfs/dbraw/zinc/30/60/24/595306024.db2.gz DDXZKBORVMMMIR-HOTGVXAUSA-N 1 3 346.475 1.521 20 0 EDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220840 595306027 /nfs/dbraw/zinc/30/60/27/595306027.db2.gz DDXZKBORVMMMIR-HOTGVXAUSA-N 1 3 346.475 1.521 20 0 EDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220840 595306029 /nfs/dbraw/zinc/30/60/29/595306029.db2.gz DDXZKBORVMMMIR-HOTGVXAUSA-N 1 3 346.475 1.521 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000846843162 595325434 /nfs/dbraw/zinc/32/54/34/595325434.db2.gz ZVFYSTRAINYOHT-KDOFPFPSSA-N 1 3 329.448 1.681 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000846843162 595325437 /nfs/dbraw/zinc/32/54/37/595325437.db2.gz ZVFYSTRAINYOHT-KDOFPFPSSA-N 1 3 329.448 1.681 20 0 EDADHO CN(C)[C@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875530 595330525 /nfs/dbraw/zinc/33/05/25/595330525.db2.gz SKOBRPWPSPRUOV-YJBOKZPZSA-N 1 3 341.496 1.774 20 0 EDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875530 595330528 /nfs/dbraw/zinc/33/05/28/595330528.db2.gz SKOBRPWPSPRUOV-YJBOKZPZSA-N 1 3 341.496 1.774 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCCC1 ZINC000845109469 595443417 /nfs/dbraw/zinc/44/34/17/595443417.db2.gz ZOYWLEDZWDFNFH-AWEZNQCLSA-N 1 3 342.484 1.043 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848894176 595464359 /nfs/dbraw/zinc/46/43/59/595464359.db2.gz CMEDMLWPSMVQOK-KXPUMZMLSA-N 1 3 349.475 1.829 20 0 EDADHO CNC(=O)CCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849071900 595477929 /nfs/dbraw/zinc/47/79/29/595477929.db2.gz OXQVZWFDSPKMFQ-UHFFFAOYSA-N 1 3 331.464 1.291 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOC3CCOCC3)CC2)CC1 ZINC000847754772 595479270 /nfs/dbraw/zinc/47/92/70/595479270.db2.gz YQHZMCHJGQCNCQ-UHFFFAOYSA-N 1 3 339.480 1.410 20 0 EDADHO COc1ccc(NC(=[NH2+])NCC(=O)NCCN2CCCCCC2)cc1 ZINC000849103267 595482058 /nfs/dbraw/zinc/48/20/58/595482058.db2.gz JQDKWSSPUWZSHR-UHFFFAOYSA-N 1 3 347.463 1.624 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)CC1 ZINC000849111075 595483760 /nfs/dbraw/zinc/48/37/60/595483760.db2.gz SRGUNHXWQQCYRQ-UHFFFAOYSA-N 1 3 329.492 1.991 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NOC[C@@H]3CCOC3)CC2)CC1 ZINC000847880697 595495439 /nfs/dbraw/zinc/49/54/39/595495439.db2.gz STBPBWSWBFOPTL-OAHLLOKOSA-N 1 3 339.480 1.267 20 0 EDADHO O=C1[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753445 595526736 /nfs/dbraw/zinc/52/67/36/595526736.db2.gz BEDGVIPMLKRUIC-AEFFLSMTSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+](CC)CCCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849540976 595559806 /nfs/dbraw/zinc/55/98/06/595559806.db2.gz KLPZJIWGGLVARR-ZWKOTPCHSA-N 1 3 349.523 1.694 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561995 /nfs/dbraw/zinc/56/19/95/595561995.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 1 3 347.507 1.256 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561997 /nfs/dbraw/zinc/56/19/97/595561997.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 1 3 347.507 1.256 20 0 EDADHO CC[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000852858871 595580996 /nfs/dbraw/zinc/58/09/96/595580996.db2.gz JTCKBDXGQRMAGV-HOTGVXAUSA-N 1 3 330.432 1.043 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849583031 595581664 /nfs/dbraw/zinc/58/16/64/595581664.db2.gz QYCQEFXQZVSQRB-IAGOWNOFSA-N 1 3 347.507 1.398 20 0 EDADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnc1F ZINC000857710448 595581789 /nfs/dbraw/zinc/58/17/89/595581789.db2.gz CNEREEFYGBNOCV-UHFFFAOYSA-N 1 3 334.439 1.818 20 0 EDADHO Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346260 595680420 /nfs/dbraw/zinc/68/04/20/595680420.db2.gz UOZPIWPKZBLGGS-NSHDSACASA-N 1 3 329.876 1.384 20 0 EDADHO Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346260 595680422 /nfs/dbraw/zinc/68/04/22/595680422.db2.gz UOZPIWPKZBLGGS-NSHDSACASA-N 1 3 329.876 1.384 20 0 EDADHO Cc1cc(C(N)=O)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000853442189 595751775 /nfs/dbraw/zinc/75/17/75/595751775.db2.gz HFKJELIGVCIUOJ-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO Cc1cc(C(N)=O)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000853442189 595751777 /nfs/dbraw/zinc/75/17/77/595751777.db2.gz HFKJELIGVCIUOJ-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851665849 595875318 /nfs/dbraw/zinc/87/53/18/595875318.db2.gz DDVCMTALXILZJI-UONOGXRCSA-N 1 3 330.423 1.405 20 0 EDADHO CC(C)n1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1Cl ZINC000859222904 596009041 /nfs/dbraw/zinc/00/90/41/596009041.db2.gz OVAVHHRKXPDMPH-UHFFFAOYSA-N 1 3 329.876 1.683 20 0 EDADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000854334909 596039850 /nfs/dbraw/zinc/03/98/50/596039850.db2.gz URHRSOIMBXWRHY-DOTOQJQBSA-N 1 3 339.524 1.658 20 0 EDADHO CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000854334909 596039851 /nfs/dbraw/zinc/03/98/51/596039851.db2.gz URHRSOIMBXWRHY-DOTOQJQBSA-N 1 3 339.524 1.658 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857183181 596178308 /nfs/dbraw/zinc/17/83/08/596178308.db2.gz CIRJVQVJUWBHRD-ICSRJNTNSA-N 1 3 347.503 1.928 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857183181 596178312 /nfs/dbraw/zinc/17/83/12/596178312.db2.gz CIRJVQVJUWBHRD-ICSRJNTNSA-N 1 3 347.503 1.928 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CC[NH2+]CC3CC3)ccc2oc1=O ZINC000870876039 596386318 /nfs/dbraw/zinc/38/63/18/596386318.db2.gz UPHCLLKQTGEFAY-UHFFFAOYSA-N 1 3 346.431 1.484 20 0 EDADHO O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[C@H](N2CCCC2)C1 ZINC000870879670 596387746 /nfs/dbraw/zinc/38/77/46/596387746.db2.gz LGAHMYRGTXGTBW-AWEZNQCLSA-N 1 3 334.489 1.920 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907495 596398770 /nfs/dbraw/zinc/39/87/70/596398770.db2.gz WSNAKSDRRNSTNM-BXUZGUMPSA-N 1 3 334.489 1.823 20 0 EDADHO CN1CCC(NC(=S)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000865250253 596524494 /nfs/dbraw/zinc/52/44/94/596524494.db2.gz SPXKNJOGTVJPLY-UHFFFAOYSA-N 1 3 336.509 1.530 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867810316 596562728 /nfs/dbraw/zinc/56/27/28/596562728.db2.gz YLYARSGUBZRPMP-DOTOQJQBSA-N 1 3 337.489 1.463 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000867810316 596562730 /nfs/dbraw/zinc/56/27/30/596562730.db2.gz YLYARSGUBZRPMP-DOTOQJQBSA-N 1 3 337.489 1.463 20 0 EDADHO C[N@@H+]1CC[C@](O)(CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528136 596601007 /nfs/dbraw/zinc/60/10/07/596601007.db2.gz FTWYKHBRGMUUJE-ABAIWWIYSA-N 1 3 337.411 1.191 20 0 EDADHO C[N@H+]1CC[C@](O)(CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865528136 596601010 /nfs/dbraw/zinc/60/10/10/596601010.db2.gz FTWYKHBRGMUUJE-ABAIWWIYSA-N 1 3 337.411 1.191 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@@H](CCNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863551052 596615172 /nfs/dbraw/zinc/61/51/72/596615172.db2.gz CKXBGCYTMKBADE-HZPDHXFCSA-N 1 3 341.496 1.680 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664064 596649441 /nfs/dbraw/zinc/64/94/41/596649441.db2.gz QELLQEDITCELLZ-TZMCWYRMSA-N 1 3 335.383 1.692 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000865818758 596696975 /nfs/dbraw/zinc/69/69/75/596696975.db2.gz ZSBLVLSMPHHYDT-HNNXBMFYSA-N 1 3 339.505 1.600 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000865818758 596696976 /nfs/dbraw/zinc/69/69/76/596696976.db2.gz ZSBLVLSMPHHYDT-HNNXBMFYSA-N 1 3 339.505 1.600 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000868185966 596715536 /nfs/dbraw/zinc/71/55/36/596715536.db2.gz DSNCFENYAFVQSC-VVLHAWIVSA-N 1 3 330.432 1.486 20 0 EDADHO CC1(C)CO[C@@H](CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144694 596809906 /nfs/dbraw/zinc/80/99/06/596809906.db2.gz DQFMGUAJLAHAMN-HZPDHXFCSA-N 1 3 347.507 1.814 20 0 EDADHO CC(C)c1cc([C@H]2CCC[N@H+](CCC(=O)N3CCNCC3)C2)n[nH]1 ZINC000872146435 596810539 /nfs/dbraw/zinc/81/05/39/596810539.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 1 3 333.480 1.534 20 0 EDADHO CC(C)c1cc([C@H]2CCC[N@@H+](CCC(=O)N3CCNCC3)C2)n[nH]1 ZINC000872146435 596810541 /nfs/dbraw/zinc/81/05/41/596810541.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 1 3 333.480 1.534 20 0 EDADHO CCC(=O)N1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873218505 597231191 /nfs/dbraw/zinc/23/11/91/597231191.db2.gz IEBOKBWTTUKCPJ-UHFFFAOYSA-N 1 3 342.447 1.217 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C(C)C ZINC000874986778 597231964 /nfs/dbraw/zinc/23/19/64/597231964.db2.gz WKBQOPVKQNVJRE-UHFFFAOYSA-N 1 3 340.512 1.164 20 0 EDADHO Cc1ncc([C@H](C)[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c(C)n1 ZINC000873247673 597239670 /nfs/dbraw/zinc/23/96/70/597239670.db2.gz RRKQGROXEORRBZ-LBPRGKRZSA-N 1 3 337.431 1.984 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171294 597313277 /nfs/dbraw/zinc/31/32/77/597313277.db2.gz QHZLFWRBYMHUEJ-HOTGVXAUSA-N 1 3 340.512 1.251 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780321 597338124 /nfs/dbraw/zinc/33/81/24/597338124.db2.gz UKKZYNPQDFESNZ-YOEHRIQHSA-N 1 3 334.439 1.715 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793825 597342015 /nfs/dbraw/zinc/34/20/15/597342015.db2.gz WPUMZQYBWWSESB-QGZVFWFLSA-N 1 3 330.476 1.048 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846683 597357552 /nfs/dbraw/zinc/35/75/52/597357552.db2.gz DVVBUCAFPSHJFH-CJNGLKHVSA-N 1 3 325.403 1.664 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875306320 597378119 /nfs/dbraw/zinc/37/81/19/597378119.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 1 3 340.512 1.395 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875306320 597378122 /nfs/dbraw/zinc/37/81/22/597378122.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 1 3 340.512 1.395 20 0 EDADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000876962334 597398705 /nfs/dbraw/zinc/39/87/05/597398705.db2.gz PNOCVAHBQRBTMC-CWIOURORSA-N 1 3 342.487 1.966 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966863 597400762 /nfs/dbraw/zinc/40/07/62/597400762.db2.gz XUNVBBOLAARGOX-RBSFLKMASA-N 1 3 341.496 1.725 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966864 597400790 /nfs/dbraw/zinc/40/07/90/597400790.db2.gz XUNVBBOLAARGOX-RRFJBIMHSA-N 1 3 341.496 1.725 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000877080672 597427788 /nfs/dbraw/zinc/42/77/88/597427788.db2.gz GMLXZHRRPOBUDY-UHFFFAOYSA-N 1 3 335.492 1.622 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000877244557 597477268 /nfs/dbraw/zinc/47/72/68/597477268.db2.gz ZSOBYEBTCLMORR-QAQDUYKDSA-N 1 3 330.476 1.361 20 0 EDADHO C[NH+](C)C1(C)CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000877711506 597549341 /nfs/dbraw/zinc/54/93/41/597549341.db2.gz MDBBYGYVXAFTQR-UHFFFAOYSA-N 1 3 331.507 1.748 20 0 EDADHO Cn1nnnc1C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000877781511 597555922 /nfs/dbraw/zinc/55/59/22/597555922.db2.gz KJUOHYGIZUGLMP-UHFFFAOYSA-N 1 3 344.463 1.530 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000877783214 597556070 /nfs/dbraw/zinc/55/60/70/597556070.db2.gz JTHJOAKFMJODDF-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878311712 597594596 /nfs/dbraw/zinc/59/45/96/597594596.db2.gz VMAUSIFYDXOROM-WOJBJXKFSA-N 1 3 349.519 1.429 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878311712 597594597 /nfs/dbraw/zinc/59/45/97/597594597.db2.gz VMAUSIFYDXOROM-WOJBJXKFSA-N 1 3 349.519 1.429 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CC2(O)CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000878324351 597595536 /nfs/dbraw/zinc/59/55/36/597595536.db2.gz LLKSQUVBIOGGJC-SQNIBIBYSA-N 1 3 339.524 1.000 20 0 EDADHO CC(C)C[C@H](NCc1cccc2c1CCOC2)C(=O)NCC[NH+](C)C ZINC000883076467 597640499 /nfs/dbraw/zinc/64/04/99/597640499.db2.gz DUGBJJRYJBXULH-IBGZPJMESA-N 1 3 347.503 1.941 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825316 597725019 /nfs/dbraw/zinc/72/50/19/597725019.db2.gz DGLBVOLYOWRZQG-KFWWJZLASA-N 1 3 341.496 1.723 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825316 597725021 /nfs/dbraw/zinc/72/50/21/597725021.db2.gz DGLBVOLYOWRZQG-KFWWJZLASA-N 1 3 341.496 1.723 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H](N)c2ccccc2OC)c1 ZINC000884010544 597967962 /nfs/dbraw/zinc/96/79/62/597967962.db2.gz FRZWIELBKSZQDK-QGZVFWFLSA-N 1 3 343.427 1.723 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](N)CC2CC2)c1 ZINC000884187687 598019521 /nfs/dbraw/zinc/01/95/21/598019521.db2.gz MEZHTJQHJMTINJ-QGZVFWFLSA-N 1 3 346.475 1.824 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884404199 598095148 /nfs/dbraw/zinc/09/51/48/598095148.db2.gz FUDGKGINNVBFIB-KSZLIROESA-N 1 3 331.460 1.774 20 0 EDADHO CCN1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316496 695353448 /nfs/dbraw/zinc/35/34/48/695353448.db2.gz VCWCWVPWWLZGKY-DLBZAZTESA-N 1 3 333.480 1.858 20 0 EDADHO Cc1cccnc1CN1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411464 696837263 /nfs/dbraw/zinc/83/72/63/696837263.db2.gz UNEBZRIBBAGSGJ-SJORKVTESA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411464 696837266 /nfs/dbraw/zinc/83/72/66/696837266.db2.gz UNEBZRIBBAGSGJ-SJORKVTESA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411464 696837269 /nfs/dbraw/zinc/83/72/69/696837269.db2.gz UNEBZRIBBAGSGJ-SJORKVTESA-N 1 3 330.476 1.955 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477355 697394074 /nfs/dbraw/zinc/39/40/74/697394074.db2.gz JGFVLPZCPYQURU-JQWIXIFHSA-N 1 3 343.415 1.278 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689728 697531884 /nfs/dbraw/zinc/53/18/84/697531884.db2.gz YNZAMKWKSVPYGJ-RDJZCZTQSA-N 1 3 349.500 1.202 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689728 697531886 /nfs/dbraw/zinc/53/18/86/697531886.db2.gz YNZAMKWKSVPYGJ-RDJZCZTQSA-N 1 3 349.500 1.202 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055189 699116383 /nfs/dbraw/zinc/11/63/83/699116383.db2.gz VOVWFEVFTLUKQG-YJBOKZPZSA-N 1 3 330.476 1.668 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC000939256866 699434108 /nfs/dbraw/zinc/43/41/08/699434108.db2.gz FTSNBPDRQNAVPX-WMLDXEAASA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939394502 699544795 /nfs/dbraw/zinc/54/47/95/699544795.db2.gz CALBXQDQZKXUNH-DOTOQJQBSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939395903 699545807 /nfs/dbraw/zinc/54/58/07/699545807.db2.gz HSBJHJCPPNZKFV-WMZOPIPTSA-N 1 3 330.476 1.750 20 0 EDADHO CCc1noc(C)c1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544573 699686073 /nfs/dbraw/zinc/68/60/73/699686073.db2.gz KWDKOQXDPSTESC-DYVFJYSZSA-N 1 3 346.475 1.578 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC4CCCC4)C3)CC2)C1 ZINC000941666351 701620766 /nfs/dbraw/zinc/62/07/66/701620766.db2.gz WLERIHIBJZTUKK-SFHVURJKSA-N 1 3 348.535 1.347 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC4CCCC4)C3)CC2)C1 ZINC000941666351 701620767 /nfs/dbraw/zinc/62/07/67/701620767.db2.gz WLERIHIBJZTUKK-SFHVURJKSA-N 1 3 348.535 1.347 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012113 699953446 /nfs/dbraw/zinc/95/34/46/699953446.db2.gz DSERHOXAJMJWFW-HOTGVXAUSA-N 1 3 346.475 1.986 20 0 EDADHO CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000940153863 700283405 /nfs/dbraw/zinc/28/34/05/700283405.db2.gz BXQWPCPINKWYJQ-UHFFFAOYSA-N 1 3 347.507 1.858 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000940328193 700505679 /nfs/dbraw/zinc/50/56/79/700505679.db2.gz GZXRCMHIQGOCBW-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cnc(CNC[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067648 700529774 /nfs/dbraw/zinc/52/97/74/700529774.db2.gz ADFUZGDWUMJMEO-NVXWUHKLSA-N 1 3 345.491 1.501 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940462089 700666018 /nfs/dbraw/zinc/66/60/18/700666018.db2.gz ZURFMTSZQUVXND-UHFFFAOYSA-N 1 3 333.480 1.295 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408339 701520849 /nfs/dbraw/zinc/52/08/49/701520849.db2.gz BBAKACKEQQQJEG-QFBILLFUSA-N 1 3 348.535 1.203 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431582 701538201 /nfs/dbraw/zinc/53/82/01/701538201.db2.gz PBLIGCIYJMOHIK-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431582 701538202 /nfs/dbraw/zinc/53/82/02/701538202.db2.gz PBLIGCIYJMOHIK-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000941436870 701540081 /nfs/dbraw/zinc/54/00/81/701540081.db2.gz JQVGNPWEHMEZDL-INIZCTEOSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995836133 702113755 /nfs/dbraw/zinc/11/37/55/702113755.db2.gz ZRRIVQWSKUPUNA-YUELXQCFSA-N 1 3 336.505 1.810 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995836133 702113761 /nfs/dbraw/zinc/11/37/61/702113761.db2.gz ZRRIVQWSKUPUNA-YUELXQCFSA-N 1 3 336.505 1.810 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886850 702223231 /nfs/dbraw/zinc/22/32/31/702223231.db2.gz ODLYIVHUGGOCAV-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886850 702223235 /nfs/dbraw/zinc/22/32/35/702223235.db2.gz ODLYIVHUGGOCAV-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCOC3)C(C)(C)C2)CCC1 ZINC000995886932 702224282 /nfs/dbraw/zinc/22/42/82/702224282.db2.gz LUTCTPSUCVIPBN-CVEARBPZSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)N(C)C ZINC000996316177 702704383 /nfs/dbraw/zinc/70/43/83/702704383.db2.gz YEXXHISGPJMTBJ-JKSUJKDBSA-N 1 3 335.496 1.395 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)cn1 ZINC001032675894 706695405 /nfs/dbraw/zinc/69/54/05/706695405.db2.gz UTUXMNHFRHJLLZ-IRXDYDNUSA-N 1 3 347.507 1.780 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cn1 ZINC000996522703 702858396 /nfs/dbraw/zinc/85/83/96/702858396.db2.gz ZAAPJAFJPZKDQL-INIZCTEOSA-N 1 3 343.475 1.207 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616440 702923280 /nfs/dbraw/zinc/92/32/80/702923280.db2.gz SBGGSBRPVIJGNN-NVXWUHKLSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616440 702923281 /nfs/dbraw/zinc/92/32/81/702923281.db2.gz SBGGSBRPVIJGNN-NVXWUHKLSA-N 1 3 330.476 1.668 20 0 EDADHO C[C@H]([NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C)C(N)=O ZINC000996663539 702961385 /nfs/dbraw/zinc/96/13/85/702961385.db2.gz OZWPBYUSZIHMPD-XJKSGUPXSA-N 1 3 346.475 1.062 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)ncn1 ZINC000996664121 702962238 /nfs/dbraw/zinc/96/22/38/702962238.db2.gz FNTFBCNZZYRGQO-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000996674246 702969448 /nfs/dbraw/zinc/96/94/48/702969448.db2.gz BFWYVGNGFLOMES-CXAGYDPISA-N 1 3 331.464 1.458 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C1CC1 ZINC000996680798 702979390 /nfs/dbraw/zinc/97/93/90/702979390.db2.gz VFVKQFMCLNNCQD-LJQANCHMSA-N 1 3 345.487 1.600 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1)C1CC1 ZINC000996680955 702979503 /nfs/dbraw/zinc/97/95/03/702979503.db2.gz XGJAGFKEFLTQOR-HNNXBMFYSA-N 1 3 329.435 1.953 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000996691101 702988541 /nfs/dbraw/zinc/98/85/41/702988541.db2.gz SCYPXWZYAAZRNL-CZUORRHYSA-N 1 3 348.495 1.629 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000996691101 702988543 /nfs/dbraw/zinc/98/85/43/702988543.db2.gz SCYPXWZYAAZRNL-CZUORRHYSA-N 1 3 348.495 1.629 20 0 EDADHO COc1cc(CNC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)on1 ZINC000996692202 702989491 /nfs/dbraw/zinc/98/94/91/702989491.db2.gz GOVCWHKMQDTPEO-INIZCTEOSA-N 1 3 338.452 1.350 20 0 EDADHO Cc1nn(C)cc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598057 703112977 /nfs/dbraw/zinc/11/29/77/703112977.db2.gz QTRKLSRTDKLSOC-KSSFIOAISA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1C ZINC000996867034 703139797 /nfs/dbraw/zinc/13/97/97/703139797.db2.gz AGSVXALYNPKFJN-UHFFFAOYSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nocc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997002522 703259268 /nfs/dbraw/zinc/25/92/68/703259268.db2.gz WUQIKMQFRNKYSI-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC000997004487 703261557 /nfs/dbraw/zinc/26/15/57/703261557.db2.gz DIZBZAFHDIVNMB-GOEBONIOSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008994 703263584 /nfs/dbraw/zinc/26/35/84/703263584.db2.gz NUIRHKMZLJQDIS-GUYCJALGSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008994 703263585 /nfs/dbraw/zinc/26/35/85/703263585.db2.gz NUIRHKMZLJQDIS-GUYCJALGSA-N 1 3 333.480 1.007 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000997006532 703263774 /nfs/dbraw/zinc/26/37/74/703263774.db2.gz MQAKXYNATRBJSU-HNNXBMFYSA-N 1 3 346.475 1.513 20 0 EDADHO Cc1oncc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997007989 703265479 /nfs/dbraw/zinc/26/54/79/703265479.db2.gz SQLHMDAHEHWUKG-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000997037150 703288632 /nfs/dbraw/zinc/28/86/32/703288632.db2.gz UROPOPMYEXQMFH-QGZVFWFLSA-N 1 3 346.406 1.406 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000997178051 703464666 /nfs/dbraw/zinc/46/46/66/703464666.db2.gz ANEYRVUWYAXIAK-YJBOKZPZSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334039 703562524 /nfs/dbraw/zinc/56/25/24/703562524.db2.gz QQJQTMRRCLWNBC-SJLPKXTDSA-N 1 3 339.524 1.848 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366788 703600771 /nfs/dbraw/zinc/60/07/71/703600771.db2.gz KVEURUDOKACPAF-SFHVURJKSA-N 1 3 347.507 1.418 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2CC)C1 ZINC000999300820 706803341 /nfs/dbraw/zinc/80/33/41/706803341.db2.gz BAVDLKVZMHIZOT-RDJZCZTQSA-N 1 3 348.495 1.253 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnnn2CC)C1 ZINC000999300820 706803346 /nfs/dbraw/zinc/80/33/46/706803346.db2.gz BAVDLKVZMHIZOT-RDJZCZTQSA-N 1 3 348.495 1.253 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000997783751 704694052 /nfs/dbraw/zinc/69/40/52/704694052.db2.gz JBKDBPXOLKYXEI-GOSISDBHSA-N 1 3 346.475 1.653 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000997830608 704748603 /nfs/dbraw/zinc/74/86/03/704748603.db2.gz KDFJMWKMYNJMSN-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cnccn1 ZINC000997831430 704751344 /nfs/dbraw/zinc/75/13/44/704751344.db2.gz RTQOIXGRWCRKEX-KBXCAEBGSA-N 1 3 345.491 1.706 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997889495 704791528 /nfs/dbraw/zinc/79/15/28/704791528.db2.gz XUQGYWCVEOAXRU-UHFFFAOYSA-N 1 3 345.491 1.377 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC000998047676 705244394 /nfs/dbraw/zinc/24/43/94/705244394.db2.gz SCYBNXHWTUMZBA-ZWKOTPCHSA-N 1 3 339.524 1.970 20 0 EDADHO CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268011 705639411 /nfs/dbraw/zinc/63/94/11/705639411.db2.gz CJOFBFOFGNPVMN-UHFFFAOYSA-N 1 3 348.491 1.969 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998547803 705979873 /nfs/dbraw/zinc/97/98/73/705979873.db2.gz ACXGDLZMQXXRQM-GPANFISMSA-N 1 3 332.448 1.263 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998552967 705990599 /nfs/dbraw/zinc/99/05/99/705990599.db2.gz USQDNIRRBCQXNO-KVULBXGLSA-N 1 3 334.464 1.719 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998781226 706222188 /nfs/dbraw/zinc/22/21/88/706222188.db2.gz SJQVOKNNOVGHJJ-JCYILVPMSA-N 1 3 346.475 1.658 20 0 EDADHO COc1ncccc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372937 706867580 /nfs/dbraw/zinc/86/75/80/706867580.db2.gz PNHDRIBSILFELZ-IAGOWNOFSA-N 1 3 346.475 1.511 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC000999362450 706875969 /nfs/dbraw/zinc/87/59/69/706875969.db2.gz AUAXXVRVTIQHSV-OAHLLOKOSA-N 1 3 333.480 1.028 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362669 706876604 /nfs/dbraw/zinc/87/66/04/706876604.db2.gz COFCRJNQWUVXMC-GOSISDBHSA-N 1 3 345.487 1.744 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405769 706915182 /nfs/dbraw/zinc/91/51/82/706915182.db2.gz HWNLFASEAZCENH-NFOMZHRRSA-N 1 3 336.505 1.749 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407288 706916670 /nfs/dbraw/zinc/91/66/70/706916670.db2.gz TZKPJZIMBFMVTG-ODIFPOPNSA-N 1 3 333.480 1.026 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240710 /nfs/dbraw/zinc/24/07/10/707240710.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 1 3 337.508 1.676 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240711 /nfs/dbraw/zinc/24/07/11/707240711.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 1 3 337.508 1.676 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NCc2ccncc2Cl)C1 ZINC000999708843 707301541 /nfs/dbraw/zinc/30/15/41/707301541.db2.gz OTOQFDIZQLWYQE-UHFFFAOYSA-N 1 3 348.878 1.910 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cccc(Cl)n2)C1 ZINC000999837773 707409253 /nfs/dbraw/zinc/40/92/53/707409253.db2.gz SCFPMFHHJBOHAC-LRVUVFPRSA-N 1 3 336.867 1.766 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cccc(Cl)n2)C1 ZINC000999837773 707409255 /nfs/dbraw/zinc/40/92/55/707409255.db2.gz SCFPMFHHJBOHAC-LRVUVFPRSA-N 1 3 336.867 1.766 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)s1 ZINC001000193432 707830445 /nfs/dbraw/zinc/83/04/45/707830445.db2.gz QCJOAWPTLRJDPE-DZGCQCFKSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001000194267 707831062 /nfs/dbraw/zinc/83/10/62/707831062.db2.gz VPWGWHFHCVMROO-MAUKXSAKSA-N 1 3 330.476 1.812 20 0 EDADHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422815 707837473 /nfs/dbraw/zinc/83/74/73/707837473.db2.gz LHTMSBRQQGUECY-QFBILLFUSA-N 1 3 347.503 1.972 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008402 708082066 /nfs/dbraw/zinc/08/20/66/708082066.db2.gz PVDCRHJENMDALH-MSOLQXFVSA-N 1 3 347.507 1.418 20 0 EDADHO Cc1cccc(OCCN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663469 708443523 /nfs/dbraw/zinc/44/35/23/708443523.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 1 3 345.487 1.858 20 0 EDADHO Cc1cccc(OCCN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663469 708443524 /nfs/dbraw/zinc/44/35/24/708443524.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 1 3 345.487 1.858 20 0 EDADHO COCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033666373 708450583 /nfs/dbraw/zinc/45/05/83/708450583.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 1 3 345.487 1.817 20 0 EDADHO COCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033666373 708450585 /nfs/dbraw/zinc/45/05/85/708450585.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 1 3 345.487 1.817 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033837871 708867770 /nfs/dbraw/zinc/86/77/70/708867770.db2.gz KNLGFLFTTKZARW-BRWVUGGUSA-N 1 3 333.480 1.146 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033837871 708867773 /nfs/dbraw/zinc/86/77/73/708867773.db2.gz KNLGFLFTTKZARW-BRWVUGGUSA-N 1 3 333.480 1.146 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CCOC)C2)C1 ZINC001033932630 709090684 /nfs/dbraw/zinc/09/06/84/709090684.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CCOC)C2)C1 ZINC001033932630 709090686 /nfs/dbraw/zinc/09/06/86/709090686.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1)OC ZINC001002793666 709401513 /nfs/dbraw/zinc/40/15/13/709401513.db2.gz ZBPNVKOFGNJMLN-DLBZAZTESA-N 1 3 325.497 1.865 20 0 EDADHO O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001002875750 709482960 /nfs/dbraw/zinc/48/29/60/709482960.db2.gz QOIVQTGVNPXEOD-RBUKOAKNSA-N 1 3 347.503 1.931 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCCN(CCO)C2)cc1 ZINC001034406206 709921893 /nfs/dbraw/zinc/92/18/93/709921893.db2.gz YEWYSISVUXHQMB-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423030867 710170308 /nfs/dbraw/zinc/17/03/08/710170308.db2.gz KBBFZKUXBXFGAX-DOTOQJQBSA-N 1 3 347.503 1.995 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423030867 710170310 /nfs/dbraw/zinc/17/03/10/710170310.db2.gz KBBFZKUXBXFGAX-DOTOQJQBSA-N 1 3 347.503 1.995 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647600 710324329 /nfs/dbraw/zinc/32/43/29/710324329.db2.gz NFCLZXXHUFLOAI-QBPKDAKJSA-N 1 3 345.491 1.642 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647600 710324330 /nfs/dbraw/zinc/32/43/30/710324330.db2.gz NFCLZXXHUFLOAI-QBPKDAKJSA-N 1 3 345.491 1.642 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034649484 710325812 /nfs/dbraw/zinc/32/58/12/710325812.db2.gz YGFZVFZCXOYCPS-JFIYKMOQSA-N 1 3 345.491 1.279 20 0 EDADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631136 710460477 /nfs/dbraw/zinc/46/04/77/710460477.db2.gz RKFLATWWRKMINZ-IRXDYDNUSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC001034734793 710918050 /nfs/dbraw/zinc/91/80/50/710918050.db2.gz YZSUHEOVWMXOCB-XIRDDKMYSA-N 1 3 333.480 1.279 20 0 EDADHO Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034737250 710949127 /nfs/dbraw/zinc/94/91/27/710949127.db2.gz HYMSLJFJKKUSDM-DJIMGWMZSA-N 1 3 345.491 1.786 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738591 710954063 /nfs/dbraw/zinc/95/40/63/710954063.db2.gz ULEGIPCXSWYNRA-TUVASFSCSA-N 1 3 336.505 1.858 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738591 710954068 /nfs/dbraw/zinc/95/40/68/710954068.db2.gz ULEGIPCXSWYNRA-TUVASFSCSA-N 1 3 336.505 1.858 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778645 711082189 /nfs/dbraw/zinc/08/21/89/711082189.db2.gz KWPLYVKAVRIBHR-ULQDDVLXSA-N 1 3 347.507 1.762 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778645 711082194 /nfs/dbraw/zinc/08/21/94/711082194.db2.gz KWPLYVKAVRIBHR-ULQDDVLXSA-N 1 3 347.507 1.762 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034792426 711119076 /nfs/dbraw/zinc/11/90/76/711119076.db2.gz JPOODKXODSIPLX-KLHDSHLOSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034792426 711119081 /nfs/dbraw/zinc/11/90/81/711119081.db2.gz JPOODKXODSIPLX-KLHDSHLOSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034797393 711131504 /nfs/dbraw/zinc/13/15/04/711131504.db2.gz ZBORPXDNAALOMK-JOCBIADPSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740700 711274891 /nfs/dbraw/zinc/27/48/91/711274891.db2.gz FYQNATJQKSSEIH-IPCDKGFNSA-N 1 3 349.519 1.819 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001034885822 711290319 /nfs/dbraw/zinc/29/03/19/711290319.db2.gz ZYENQVARROEPKN-IAGOWNOFSA-N 1 3 347.507 1.813 20 0 EDADHO CCc1noc(CNC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957354 711428514 /nfs/dbraw/zinc/42/85/14/711428514.db2.gz PVHPKNCCOZVARC-CYBMUJFWSA-N 1 3 335.452 1.197 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001034958180 711431101 /nfs/dbraw/zinc/43/11/01/711431101.db2.gz CSBQNSPBUDDAKA-HZPDHXFCSA-N 1 3 348.495 1.159 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001034958180 711431103 /nfs/dbraw/zinc/43/11/03/711431103.db2.gz CSBQNSPBUDDAKA-HZPDHXFCSA-N 1 3 348.495 1.159 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CCF)c3)C2)[C@H]1C(C)C ZINC000922392093 711457367 /nfs/dbraw/zinc/45/73/67/711457367.db2.gz CTTXQWXQABYYNN-BRSBDYLESA-N 1 3 338.471 1.812 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn(CCF)c3)C2)[C@H]1C(C)C ZINC000922392093 711457370 /nfs/dbraw/zinc/45/73/70/711457370.db2.gz CTTXQWXQABYYNN-BRSBDYLESA-N 1 3 338.471 1.812 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126425 711889710 /nfs/dbraw/zinc/88/97/10/711889710.db2.gz NBFIZOMGWHWGCY-ROUUACIJSA-N 1 3 337.508 1.820 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033126425 711889712 /nfs/dbraw/zinc/88/97/12/711889712.db2.gz NBFIZOMGWHWGCY-ROUUACIJSA-N 1 3 337.508 1.820 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)C1 ZINC001033144009 711959496 /nfs/dbraw/zinc/95/94/96/711959496.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 1 3 347.507 1.394 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(CCn3cccn3)C2)C1 ZINC001033144009 711959498 /nfs/dbraw/zinc/95/94/98/711959498.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 1 3 347.507 1.394 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004549480 711960505 /nfs/dbraw/zinc/96/05/05/711960505.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004549480 711960506 /nfs/dbraw/zinc/96/05/06/711960506.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 1 3 337.508 1.556 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615891 712075551 /nfs/dbraw/zinc/07/55/51/712075551.db2.gz IVDUSMSHUMFEKR-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO CO[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615891 712075552 /nfs/dbraw/zinc/07/55/52/712075552.db2.gz IVDUSMSHUMFEKR-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000051236027 214084638 /nfs/dbraw/zinc/08/46/38/214084638.db2.gz IFOJIMAFRQOUGR-UHFFFAOYSA-N 1 3 347.463 1.770 20 0 EDADHO CN(C)CCN1CCC(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352442187 282098335 /nfs/dbraw/zinc/09/83/35/282098335.db2.gz LRPMPDKCRAHYAS-IRXDYDNUSA-N 1 3 345.553 1.205 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829327 282242426 /nfs/dbraw/zinc/24/24/26/282242426.db2.gz FSLQJKOFUWFDSM-ROUUACIJSA-N 1 3 332.492 1.848 20 0 EDADHO CCN1CCN(CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000101641744 219150172 /nfs/dbraw/zinc/15/01/72/219150172.db2.gz GQSLKAOZGROYKD-UHFFFAOYSA-N 1 3 332.492 1.506 20 0 EDADHO CN1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103298083 219285951 /nfs/dbraw/zinc/28/59/51/219285951.db2.gz YXSJUZBEPAUVHL-GOSISDBHSA-N 1 3 344.503 1.944 20 0 EDADHO CN1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000103298083 219285953 /nfs/dbraw/zinc/28/59/53/219285953.db2.gz YXSJUZBEPAUVHL-GOSISDBHSA-N 1 3 344.503 1.944 20 0 EDADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000342982661 539769920 /nfs/dbraw/zinc/76/99/20/539769920.db2.gz FBVNCDRJHZGNGP-FHERZECASA-N 1 3 340.512 1.070 20 0 EDADHO C/C=C\C[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000588491939 539991520 /nfs/dbraw/zinc/99/15/20/539991520.db2.gz ASKSHHCDNVPRRD-QGZUEGPWSA-N 1 3 338.496 1.171 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000249074478 283060694 /nfs/dbraw/zinc/06/06/94/283060694.db2.gz NEDLBZPWSHPEDJ-MPGHIAIKSA-N 1 3 325.497 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)C1 ZINC000249074478 283060696 /nfs/dbraw/zinc/06/06/96/283060696.db2.gz NEDLBZPWSHPEDJ-MPGHIAIKSA-N 1 3 325.497 1.709 20 0 EDADHO CCc1nccn1[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922754 540191135 /nfs/dbraw/zinc/19/11/35/540191135.db2.gz XZQSOSDMNYDSCS-QGZVFWFLSA-N 1 3 347.507 1.683 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000125084429 138331955 /nfs/dbraw/zinc/33/19/55/138331955.db2.gz NCLYCCXZCXUKTF-HLLBOEOZSA-N 1 3 325.497 1.674 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)N(C)C ZINC000125084429 138331956 /nfs/dbraw/zinc/33/19/56/138331956.db2.gz NCLYCCXZCXUKTF-HLLBOEOZSA-N 1 3 325.497 1.674 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOCC2CC2)CC1 ZINC000130673218 138344595 /nfs/dbraw/zinc/34/45/95/138344595.db2.gz MMJAJRKAVCZZEB-UHFFFAOYSA-N 1 3 339.524 1.829 20 0 EDADHO C[N@H+](C[C@@H](O)CNC[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723742 306363708 /nfs/dbraw/zinc/36/37/08/306363708.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 1 3 349.544 1.649 20 0 EDADHO C[N@@H+](C[C@@H](O)CNC[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723742 306363709 /nfs/dbraw/zinc/36/37/09/306363709.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 1 3 349.544 1.649 20 0 EDADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723742 306363710 /nfs/dbraw/zinc/36/37/10/306363710.db2.gz QSWUYIYPXNQWSC-MOPGFXCFSA-N 1 3 349.544 1.649 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000564831003 306365748 /nfs/dbraw/zinc/36/57/48/306365748.db2.gz YQUCEUBQKOCESN-GDBMZVCRSA-N 1 3 342.447 1.195 20 0 EDADHO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000565351214 306382046 /nfs/dbraw/zinc/38/20/46/306382046.db2.gz XBRTVGPXYABFKS-RDTXWAMCSA-N 1 3 331.460 1.651 20 0 EDADHO CN(C)C1(CNC(=O)COC2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000566185652 306402702 /nfs/dbraw/zinc/40/27/02/306402702.db2.gz WCYIKILDIOJAAF-UHFFFAOYSA-N 1 3 345.487 1.488 20 0 EDADHO C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(C)(C)C[NH+](C)C ZINC000458522762 296081566 /nfs/dbraw/zinc/08/15/66/296081566.db2.gz PPPITKOLZQLIPL-CABCVRRESA-N 1 3 328.501 1.109 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000414715771 304132301 /nfs/dbraw/zinc/13/23/01/304132301.db2.gz XOYRDNVBJOJBBY-GJZGRUSLSA-N 1 3 346.475 1.724 20 0 EDADHO Fc1ccc(Cn2cc(CNCCCN3CC[NH2+]CC3)cn2)cc1 ZINC000414779768 304139613 /nfs/dbraw/zinc/13/96/13/304139613.db2.gz KGENYIXWPMVTSX-UHFFFAOYSA-N 1 3 331.439 1.455 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@@H](C)C[NH2+]C)CC1 ZINC000414848464 304147461 /nfs/dbraw/zinc/14/74/61/304147461.db2.gz XAWOYHIAEDFWIZ-UONOGXRCSA-N 1 3 327.469 1.012 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@H](C)C[NH2+]C)CC1 ZINC000414848467 304147533 /nfs/dbraw/zinc/14/75/33/304147533.db2.gz XAWOYHIAEDFWIZ-ZIAGYGMSSA-N 1 3 327.469 1.012 20 0 EDADHO COc1ccc(CCN[C@H](C)C[C@@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091218 304158429 /nfs/dbraw/zinc/15/84/29/304158429.db2.gz PYXJLXFXSJRFQW-OCCSQVGLSA-N 1 3 341.477 1.005 20 0 EDADHO COc1ccc(C(=O)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000415106664 304160467 /nfs/dbraw/zinc/16/04/67/304160467.db2.gz OBZPILMSIDBINF-HOTGVXAUSA-N 1 3 331.460 1.841 20 0 EDADHO C[C@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116784 304161394 /nfs/dbraw/zinc/16/13/94/304161394.db2.gz IERIYWBGZOYXBN-ZMSDIMECSA-N 1 3 330.476 1.794 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143544 304164195 /nfs/dbraw/zinc/16/41/95/304164195.db2.gz AZQZYEFBIOBSJB-CVEARBPZSA-N 1 3 344.459 1.430 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237084501 139040205 /nfs/dbraw/zinc/04/02/05/139040205.db2.gz IXUQVXNOFSJORX-GOSISDBHSA-N 1 3 345.487 1.535 20 0 EDADHO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237291973 139046671 /nfs/dbraw/zinc/04/66/71/139046671.db2.gz IHXNPCPVLXGADL-OALUTQOASA-N 1 3 345.487 1.878 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719405 139058624 /nfs/dbraw/zinc/05/86/24/139058624.db2.gz QWBIIRGHSFFOLN-SFHVURJKSA-N 1 3 344.503 1.623 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NCCCN1CCc2ccccc2C1 ZINC000238086350 139068644 /nfs/dbraw/zinc/06/86/44/139068644.db2.gz USTRELVXCDRREI-KRWDZBQOSA-N 1 3 333.501 1.646 20 0 EDADHO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)n(C2CCN(C)CC2)n1 ZINC000415253106 304179558 /nfs/dbraw/zinc/17/95/58/304179558.db2.gz PIHPGRLEAVRGIN-KRWDZBQOSA-N 1 3 336.484 1.953 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2c2cc(NC)ncn2)[C@H](C)C1 ZINC000246264146 139101572 /nfs/dbraw/zinc/10/15/72/139101572.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 1 3 332.496 1.807 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2c2cc(NC)ncn2)[C@H](C)C1 ZINC000246264146 139101573 /nfs/dbraw/zinc/10/15/73/139101573.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 1 3 332.496 1.807 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246802785 139122320 /nfs/dbraw/zinc/12/23/20/139122320.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246802785 139122321 /nfs/dbraw/zinc/12/23/21/139122321.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 1 3 338.492 1.492 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000249375050 139191975 /nfs/dbraw/zinc/19/19/75/139191975.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000249375050 139191976 /nfs/dbraw/zinc/19/19/76/139191976.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 1 3 346.519 1.679 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000410880959 250392825 /nfs/dbraw/zinc/39/28/25/250392825.db2.gz AXDLWVALZUIELH-UHFFFAOYSA-N 1 3 342.528 1.362 20 0 EDADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819632 139228761 /nfs/dbraw/zinc/22/87/61/139228761.db2.gz XVGNVCAQKFNTBR-LJQANCHMSA-N 1 3 344.459 1.813 20 0 EDADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819632 139228762 /nfs/dbraw/zinc/22/87/62/139228762.db2.gz XVGNVCAQKFNTBR-LJQANCHMSA-N 1 3 344.459 1.813 20 0 EDADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819632 139228763 /nfs/dbraw/zinc/22/87/63/139228763.db2.gz XVGNVCAQKFNTBR-LJQANCHMSA-N 1 3 344.459 1.813 20 0 EDADHO O=C(NCC1C[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000262021902 139244544 /nfs/dbraw/zinc/24/45/44/139244544.db2.gz MNIFJBNEKJUUQS-MRXNPFEDSA-N 1 3 341.377 1.777 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N(CC[NH3+])CCO)c1ccsc1 ZINC000417011689 251129858 /nfs/dbraw/zinc/12/98/58/251129858.db2.gz SPURBRCCEFABJV-CQSZACIVSA-N 1 3 328.482 1.094 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000417495810 251179989 /nfs/dbraw/zinc/17/99/89/251179989.db2.gz UXBZEYJOACAFFG-ABHNRTSZSA-N 1 3 348.491 1.827 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519679 251183246 /nfs/dbraw/zinc/18/32/46/251183246.db2.gz VQWCEGUWEYFASY-QZTJIDSGSA-N 1 3 348.491 1.747 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417696460 251233064 /nfs/dbraw/zinc/23/30/64/251233064.db2.gz GTWDHAMFCDCWPS-OAGGEKHMSA-N 1 3 326.485 1.399 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827802 251286154 /nfs/dbraw/zinc/28/61/54/251286154.db2.gz OCVBUXMWQHURJW-HOCLYGCPSA-N 1 3 328.526 1.631 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417783450 251268256 /nfs/dbraw/zinc/26/82/56/251268256.db2.gz NHYIKVTUQFVSPZ-CVEARBPZSA-N 1 3 346.475 1.026 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417814099 251280816 /nfs/dbraw/zinc/28/08/16/251280816.db2.gz RPJDKWHIUUIAAN-JKSUJKDBSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122818 251335780 /nfs/dbraw/zinc/33/57/80/251335780.db2.gz YITFDDUZAPPRFK-RDJZCZTQSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417850429 251296752 /nfs/dbraw/zinc/29/67/52/251296752.db2.gz XORQMZBDMLNUHH-CQSZACIVSA-N 1 3 332.448 1.050 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418477615 251373810 /nfs/dbraw/zinc/37/38/10/251373810.db2.gz YHDMUGUPQRDUQW-CABCVRRESA-N 1 3 326.485 1.399 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418474628 251374144 /nfs/dbraw/zinc/37/41/44/251374144.db2.gz PTUZSIRGGWCVQP-QFBILLFUSA-N 1 3 330.476 1.889 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000418192902 251353465 /nfs/dbraw/zinc/35/34/65/251353465.db2.gz ZEDHPODBVPPZMJ-SZVBFZGTSA-N 1 3 348.491 1.746 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000262638676 139292263 /nfs/dbraw/zinc/29/22/63/139292263.db2.gz JETMZSKZINLCEO-SJORKVTESA-N 1 3 331.460 1.957 20 0 EDADHO C[NH2+]CCCC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000262664793 139294524 /nfs/dbraw/zinc/29/45/24/139294524.db2.gz IVOIQASORGOMRP-UHFFFAOYSA-N 1 3 325.497 1.916 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000262685354 139296298 /nfs/dbraw/zinc/29/62/98/139296298.db2.gz XQLMYCWDCAFWAG-HZPDHXFCSA-N 1 3 344.459 1.450 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000262864935 139309010 /nfs/dbraw/zinc/30/90/10/139309010.db2.gz ULLDXQHXLZQIGY-IEBWSBKVSA-N 1 3 344.503 1.621 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000422874054 252008603 /nfs/dbraw/zinc/00/86/03/252008603.db2.gz BZHRLUCPLINSLD-QFBILLFUSA-N 1 3 344.503 1.552 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422900026 252016732 /nfs/dbraw/zinc/01/67/32/252016732.db2.gz IQWJVOGPENFJTR-JKSUJKDBSA-N 1 3 325.478 1.484 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010677 252026248 /nfs/dbraw/zinc/02/62/48/252026248.db2.gz HBAZKEZXZGMFBT-QWRGUYRKSA-N 1 3 326.359 1.211 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094468 252036580 /nfs/dbraw/zinc/03/65/80/252036580.db2.gz BXFIUTNUIGAIDS-TZMCWYRMSA-N 1 3 345.896 1.725 20 0 EDADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423170025 252041165 /nfs/dbraw/zinc/04/11/65/252041165.db2.gz XDABOXOGQSUOMK-YSTOQKLRSA-N 1 3 332.488 1.954 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353971 252050676 /nfs/dbraw/zinc/05/06/76/252050676.db2.gz CIRPNJIHFFBKRQ-QLFBSQMISA-N 1 3 336.484 1.113 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908040 252018293 /nfs/dbraw/zinc/01/82/93/252018293.db2.gz CUPKOJPLQCEIOQ-HNNXBMFYSA-N 1 3 330.476 1.210 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422906700 252018389 /nfs/dbraw/zinc/01/83/89/252018389.db2.gz AGEWJFFOYCLQSZ-QZTJIDSGSA-N 1 3 330.476 1.482 20 0 EDADHO COC[C@@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213672 252163892 /nfs/dbraw/zinc/16/38/92/252163892.db2.gz AMFNJTSEMYSZHE-NLWGTHIKSA-N 1 3 343.471 1.345 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000424434223 252228479 /nfs/dbraw/zinc/22/84/79/252228479.db2.gz DGZFGNISPRUOKG-CYBMUJFWSA-N 1 3 332.448 1.240 20 0 EDADHO O=S(=O)(NCCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339355 285040234 /nfs/dbraw/zinc/04/02/34/285040234.db2.gz YNAPZDCPLPOUSI-JKSUJKDBSA-N 1 3 337.489 1.286 20 0 EDADHO CNC(=O)c1cccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000570150227 306531386 /nfs/dbraw/zinc/53/13/86/306531386.db2.gz YGPSBPKUSZJBOF-QZTJIDSGSA-N 1 3 331.460 1.765 20 0 EDADHO CCN1CCC([NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000356977260 285191239 /nfs/dbraw/zinc/19/12/39/285191239.db2.gz LZHKZQIVUCRKHV-UHFFFAOYSA-N 1 3 325.478 1.511 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783100 285279307 /nfs/dbraw/zinc/27/93/07/285279307.db2.gz CGEDGXNSRBUDFY-IRXDYDNUSA-N 1 3 337.508 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783100 285279311 /nfs/dbraw/zinc/27/93/11/285279311.db2.gz CGEDGXNSRBUDFY-IRXDYDNUSA-N 1 3 337.508 1.678 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119047164 221231301 /nfs/dbraw/zinc/23/13/01/221231301.db2.gz QBRZDGORFYUQPL-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380743 /nfs/dbraw/zinc/38/07/43/139380743.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 1 3 344.503 1.898 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380744 /nfs/dbraw/zinc/38/07/44/139380744.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 1 3 344.503 1.898 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357254680 285322361 /nfs/dbraw/zinc/32/23/61/285322361.db2.gz YTXPMROMBBIRDK-AOIWGVFYSA-N 1 3 336.524 1.156 20 0 EDADHO COCCCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000369669317 155132252 /nfs/dbraw/zinc/13/22/52/155132252.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO COCCCN1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000369669317 155132253 /nfs/dbraw/zinc/13/22/53/155132253.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO COC(=O)c1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cn1C ZINC000331656641 141063079 /nfs/dbraw/zinc/06/30/79/141063079.db2.gz MHOBKUCJSUSTEP-DOTOQJQBSA-N 1 3 335.448 1.279 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442183 141317586 /nfs/dbraw/zinc/31/75/86/141317586.db2.gz WGIFXXYIQRZLOF-VIBAHUMZSA-N 1 3 328.460 1.605 20 0 EDADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687072 141358106 /nfs/dbraw/zinc/35/81/06/141358106.db2.gz PJMXUKXWENRQBR-AEFFLSMTSA-N 1 3 345.491 1.830 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333853424 141394603 /nfs/dbraw/zinc/39/46/03/141394603.db2.gz OBEJVEJSIIVRAN-CIRFHOKZSA-N 1 3 337.508 1.994 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCCCCC[NH+]1CCCC1 ZINC000339496548 142060338 /nfs/dbraw/zinc/06/03/38/142060338.db2.gz CDAFXFCBPPUJAP-UHFFFAOYSA-N 1 3 349.523 1.921 20 0 EDADHO N[C@H](CC(F)F)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000345757779 143129708 /nfs/dbraw/zinc/12/97/08/143129708.db2.gz UZZZVMHZGSXGNG-OAHLLOKOSA-N 1 3 341.402 1.760 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839089 143250663 /nfs/dbraw/zinc/25/06/63/143250663.db2.gz YFFUYJJLTIVKIY-BPLDGKMQSA-N 1 3 326.400 1.975 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc(OC(F)F)c2)C1 ZINC000347082455 143280458 /nfs/dbraw/zinc/28/04/58/143280458.db2.gz YYUJNKQKAJWACF-ZDUSSCGKSA-N 1 3 327.375 1.575 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000416843583 304350939 /nfs/dbraw/zinc/35/09/39/304350939.db2.gz PDRTYVKYTRMIDL-QGZVFWFLSA-N 1 3 332.492 1.848 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])N2CCCC2)c1 ZINC000416857150 304351982 /nfs/dbraw/zinc/35/19/82/304351982.db2.gz RRQOAYYHEKPGEU-ZQIUZPCESA-N 1 3 334.464 1.867 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000416974552 304358771 /nfs/dbraw/zinc/35/87/71/304358771.db2.gz LYBDNLFCNDLGJH-HOCLYGCPSA-N 1 3 334.464 1.554 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000416979784 304360542 /nfs/dbraw/zinc/36/05/42/304360542.db2.gz XLDOWGKSPLSEKX-WBVHZDCISA-N 1 3 334.464 1.554 20 0 EDADHO COCC1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000358851334 292217988 /nfs/dbraw/zinc/21/79/88/292217988.db2.gz TXYKKSNCCDAQOG-QGZVFWFLSA-N 1 3 333.476 1.292 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358860537 286197922 /nfs/dbraw/zinc/19/79/22/286197922.db2.gz DSOJUZQXLKUUGN-JKSUJKDBSA-N 1 3 325.428 1.341 20 0 EDADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000357926916 151199037 /nfs/dbraw/zinc/19/90/37/151199037.db2.gz KPIMINGKLWANIO-CMKODMSKSA-N 1 3 343.471 1.224 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972685 151217049 /nfs/dbraw/zinc/21/70/49/151217049.db2.gz JZZGOFPQZVBUIL-KBPBESRZSA-N 1 3 328.526 1.596 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000358049399 151247185 /nfs/dbraw/zinc/24/71/85/151247185.db2.gz RSAFAZAGGHLQHR-KXBFYZLASA-N 1 3 344.503 1.550 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCNC(=O)c2ccco2)[C@@H](C)C1 ZINC000358083064 151264219 /nfs/dbraw/zinc/26/42/19/151264219.db2.gz KLNUQDIVPABVRO-HOTGVXAUSA-N 1 3 337.464 1.736 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCNC(=O)c2ccco2)[C@@H](C)C1 ZINC000358083064 151264221 /nfs/dbraw/zinc/26/42/21/151264221.db2.gz KLNUQDIVPABVRO-HOTGVXAUSA-N 1 3 337.464 1.736 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000358270594 151322282 /nfs/dbraw/zinc/32/22/82/151322282.db2.gz DQUOYIFUGRMZAM-UHFFFAOYSA-N 1 3 332.448 1.471 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000358286867 151326360 /nfs/dbraw/zinc/32/63/60/151326360.db2.gz BQSQSHDBTVTHPT-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000358286867 151326362 /nfs/dbraw/zinc/32/63/62/151326362.db2.gz BQSQSHDBTVTHPT-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000360403529 152023508 /nfs/dbraw/zinc/02/35/08/152023508.db2.gz SZOYMSZSQJLIKQ-QGZVFWFLSA-N 1 3 342.553 1.845 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCN(C)CC1 ZINC000360692695 152155125 /nfs/dbraw/zinc/15/51/25/152155125.db2.gz JKVPPHJFOAOKPY-LSDHHAIUSA-N 1 3 340.537 1.692 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CCN(C)CC1 ZINC000360692695 152155127 /nfs/dbraw/zinc/15/51/27/152155127.db2.gz JKVPPHJFOAOKPY-LSDHHAIUSA-N 1 3 340.537 1.692 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CCCOC)CC2)C1(C)C ZINC000188163413 286306313 /nfs/dbraw/zinc/30/63/13/286306313.db2.gz KNWJRZLKJHDGLA-CRAIPNDOSA-N 1 3 341.496 1.136 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360896606 152244249 /nfs/dbraw/zinc/24/42/49/152244249.db2.gz RRMBOVDLTBBBAP-SJORKVTESA-N 1 3 342.528 1.499 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360896606 152244250 /nfs/dbraw/zinc/24/42/50/152244250.db2.gz RRMBOVDLTBBBAP-SJORKVTESA-N 1 3 342.528 1.499 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)ccn1 ZINC000367095383 154008027 /nfs/dbraw/zinc/00/80/27/154008027.db2.gz AGEITTBZVGCMGY-IRXDYDNUSA-N 1 3 346.475 1.513 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)ccn1 ZINC000367095383 154008029 /nfs/dbraw/zinc/00/80/29/154008029.db2.gz AGEITTBZVGCMGY-IRXDYDNUSA-N 1 3 346.475 1.513 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000367188181 154034686 /nfs/dbraw/zinc/03/46/86/154034686.db2.gz UHENNZOWOZJBLG-NCXUSEDFSA-N 1 3 343.471 1.502 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000367188181 154034689 /nfs/dbraw/zinc/03/46/89/154034689.db2.gz UHENNZOWOZJBLG-NCXUSEDFSA-N 1 3 343.471 1.502 20 0 EDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C4CCC4)CC3)C2)CC1 ZINC000369372273 155000184 /nfs/dbraw/zinc/00/01/84/155000184.db2.gz HMHWUZXFPWXKEU-INIZCTEOSA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C4CCC4)CC3)C2)CC1 ZINC000369372273 155000187 /nfs/dbraw/zinc/00/01/87/155000187.db2.gz HMHWUZXFPWXKEU-INIZCTEOSA-N 1 3 349.523 1.035 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCN(C4CCC4)CC3)C2)CC1 ZINC000369372273 155000191 /nfs/dbraw/zinc/00/01/91/155000191.db2.gz HMHWUZXFPWXKEU-INIZCTEOSA-N 1 3 349.523 1.035 20 0 EDADHO CCOCC[C@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000370501436 155524505 /nfs/dbraw/zinc/52/45/05/155524505.db2.gz XNEAZPAHIPAUTN-KRWDZBQOSA-N 1 3 327.513 1.123 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1(C)C ZINC000374241089 157210353 /nfs/dbraw/zinc/21/03/53/157210353.db2.gz JMDVSNIHJADACO-UHFFFAOYSA-N 1 3 345.535 1.662 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000374460748 157298277 /nfs/dbraw/zinc/29/82/77/157298277.db2.gz JEKSXAUUMCVOPF-SJLPKXTDSA-N 1 3 333.476 1.591 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000374460748 157298278 /nfs/dbraw/zinc/29/82/78/157298278.db2.gz JEKSXAUUMCVOPF-SJLPKXTDSA-N 1 3 333.476 1.591 20 0 EDADHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3CC[NH2+]C3)CCCN2C)cc1 ZINC000374462608 157299151 /nfs/dbraw/zinc/29/91/51/157299151.db2.gz ZGJMTWZBGVFZBT-XYJFISCASA-N 1 3 331.460 1.804 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)ccn1 ZINC000417949412 304436638 /nfs/dbraw/zinc/43/66/38/304436638.db2.gz KDWFZFMLADUAKE-MRXNPFEDSA-N 1 3 349.479 1.339 20 0 EDADHO CC(C)[C@@H](CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352424785 162174885 /nfs/dbraw/zinc/17/48/85/162174885.db2.gz HTMPCMRQVRMYGS-OAHLLOKOSA-N 1 3 340.512 1.109 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NCCCNCc2cccnc2)CCCC1 ZINC000418029000 304448333 /nfs/dbraw/zinc/44/83/33/304448333.db2.gz QZBJMUZJOXSQOG-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO C[NH+]1CCC(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000073244798 287258891 /nfs/dbraw/zinc/25/88/91/287258891.db2.gz XMIJKXBDXJSCFE-UHFFFAOYSA-N 1 3 344.503 1.657 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000074109425 287267643 /nfs/dbraw/zinc/26/76/43/287267643.db2.gz MXWYDPCSKFPLAE-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000074109425 287267645 /nfs/dbraw/zinc/26/76/45/287267645.db2.gz MXWYDPCSKFPLAE-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO CCC(CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+]1CCCC1 ZINC000659431677 452276317 /nfs/dbraw/zinc/27/63/17/452276317.db2.gz PWTFTQAVMUEGOW-OAGGEKHMSA-N 1 3 328.476 1.968 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N2CCCC2)CC1 ZINC000122057808 222005681 /nfs/dbraw/zinc/00/56/81/222005681.db2.gz BHQWBTKBUHKEQB-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N2CCCC2)CC1 ZINC000122057808 222005685 /nfs/dbraw/zinc/00/56/85/222005685.db2.gz BHQWBTKBUHKEQB-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO CC1=NN(c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)CC1 ZINC000104533420 272919613 /nfs/dbraw/zinc/91/96/13/272919613.db2.gz NZWIVKUVJNVYSM-UHFFFAOYSA-N 1 3 345.491 1.838 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)N(C)C)cc1 ZINC000655915475 452674232 /nfs/dbraw/zinc/67/42/32/452674232.db2.gz VHPHUTSVXGDUCM-STQMWFEESA-N 1 3 332.370 1.787 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C1=CCN(C)CC1 ZINC000371587996 278242247 /nfs/dbraw/zinc/24/22/47/278242247.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 1 3 332.492 1.763 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)C1=CCN(C)CC1 ZINC000371587996 278242249 /nfs/dbraw/zinc/24/22/49/278242249.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 1 3 332.492 1.763 20 0 EDADHO C[C@H](c1nnnn1C1CC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276418 278317352 /nfs/dbraw/zinc/31/73/52/278317352.db2.gz RJGDACUGWGTGDD-CJNGLKHVSA-N 1 3 333.484 1.169 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000424045069 278350882 /nfs/dbraw/zinc/35/08/82/278350882.db2.gz STYMWPMLZFXEFO-ZWKOTPCHSA-N 1 3 349.519 1.866 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C[C@@H](C)O1 ZINC000422913363 288161598 /nfs/dbraw/zinc/16/15/98/288161598.db2.gz PUKCLVDUFFBQIS-XYVMCAHJSA-N 1 3 325.497 1.232 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)CCC(=O)OC ZINC000290129609 288845009 /nfs/dbraw/zinc/84/50/09/288845009.db2.gz ZIZGAQVEQHZMRL-MRXNPFEDSA-N 1 3 335.448 1.377 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000291872424 289202616 /nfs/dbraw/zinc/20/26/16/289202616.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 1 3 348.491 1.215 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NCCN(C)Cc1ccccc1 ZINC000291872424 289202619 /nfs/dbraw/zinc/20/26/19/289202619.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 1 3 348.491 1.215 20 0 EDADHO C[NH+]1CCC(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000292081663 289256964 /nfs/dbraw/zinc/25/69/64/289256964.db2.gz HVEVEFMPLPJOFQ-LJQANCHMSA-N 1 3 345.487 1.254 20 0 EDADHO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521196 289333436 /nfs/dbraw/zinc/33/34/36/289333436.db2.gz XIRBWPLLINZPPK-CQSZACIVSA-N 1 3 336.480 1.609 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN(C)CC1 ZINC000418196823 295577393 /nfs/dbraw/zinc/57/73/93/295577393.db2.gz IIYVRZLIGGXOOK-KGLIPLIRSA-N 1 3 326.510 1.207 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418555439 304512487 /nfs/dbraw/zinc/51/24/87/304512487.db2.gz DTGPAVYISAACSH-RHSMWYFYSA-N 1 3 336.455 1.897 20 0 EDADHO C[C@H](C[C@H](C)[NH2+]CC1(O)CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000494660130 298888177 /nfs/dbraw/zinc/88/81/77/298888177.db2.gz URLQOVQVEOTJRY-UONOGXRCSA-N 1 3 329.485 1.725 20 0 EDADHO C[C@@H](NC(=O)C(=O)N(CCN)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000419539528 304633379 /nfs/dbraw/zinc/63/33/79/304633379.db2.gz GBVCBUWKIMHHSF-OAHLLOKOSA-N 1 3 348.491 1.066 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000418160162 302204590 /nfs/dbraw/zinc/20/45/90/302204590.db2.gz BAYFIIFKGGGYDY-CUSZFKRNSA-N 1 3 330.476 1.847 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419655649 447324551 /nfs/dbraw/zinc/32/45/51/447324551.db2.gz UECGUJAMRSNASK-IJEWVQPXSA-N 1 3 346.475 1.038 20 0 EDADHO C[C@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C[NH+](C)C ZINC000294002569 303049958 /nfs/dbraw/zinc/04/99/58/303049958.db2.gz YWDHWWZIDNEOJW-MRXNPFEDSA-N 1 3 347.503 1.818 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000295210601 303189255 /nfs/dbraw/zinc/18/92/55/303189255.db2.gz ALXPVBGTMNMOFP-GOSISDBHSA-N 1 3 346.519 1.699 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2CC)c1 ZINC000414877107 447338639 /nfs/dbraw/zinc/33/86/39/447338639.db2.gz LJYCXCZMZIVWEC-QGZVFWFLSA-N 1 3 346.475 1.725 20 0 EDADHO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000414879595 447340601 /nfs/dbraw/zinc/34/06/01/447340601.db2.gz PEBJNCXEQCNORT-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO Brc1cc2c(s1)CC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423207556 304889479 /nfs/dbraw/zinc/88/94/79/304889479.db2.gz RVULCHBWNMZUKI-NSHDSACASA-N 1 3 330.295 1.993 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428699908 305015004 /nfs/dbraw/zinc/01/50/04/305015004.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428699908 305015005 /nfs/dbraw/zinc/01/50/05/305015005.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO C[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429163416 305024823 /nfs/dbraw/zinc/02/48/23/305024823.db2.gz NDAXHTYIHDGVII-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000430772433 305064486 /nfs/dbraw/zinc/06/44/86/305064486.db2.gz BBRVKZVZXAEWOG-QZTJIDSGSA-N 1 3 333.476 1.688 20 0 EDADHO CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)c2ccccc2C1 ZINC000433117059 305100934 /nfs/dbraw/zinc/10/09/34/305100934.db2.gz NMVUSYRBHIGLGB-UHFFFAOYSA-N 1 3 330.476 1.668 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433279023 305104508 /nfs/dbraw/zinc/10/45/08/305104508.db2.gz NQYXNIINDNUJAP-MRXNPFEDSA-N 1 3 340.512 1.659 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000433399434 305107867 /nfs/dbraw/zinc/10/78/67/305107867.db2.gz JDZIRQSRYBNYHG-KKUMJFAQSA-N 1 3 334.468 1.147 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCOc1ccc(F)cc1 ZINC000436049561 305151308 /nfs/dbraw/zinc/15/13/08/305151308.db2.gz HJIPIMBBPKMEEV-MRXNPFEDSA-N 1 3 337.439 1.914 20 0 EDADHO COc1cccc(CCCN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436055226 305151428 /nfs/dbraw/zinc/15/14/28/305151428.db2.gz SSDZKUFULBXWKC-KRWDZBQOSA-N 1 3 333.476 1.947 20 0 EDADHO CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)O1 ZINC000436471905 305157716 /nfs/dbraw/zinc/15/77/16/305157716.db2.gz XDKKFMQROVUFJE-IAGOWNOFSA-N 1 3 332.448 1.276 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN(C)CC2CC[NH+](C)CC2)c1C ZINC000438113776 305181363 /nfs/dbraw/zinc/18/13/63/305181363.db2.gz GOMHWWHFDPUORS-UHFFFAOYSA-N 1 3 336.480 1.837 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000448262446 305294973 /nfs/dbraw/zinc/29/49/73/305294973.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 1 3 340.512 1.205 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000448262446 305294974 /nfs/dbraw/zinc/29/49/74/305294974.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 1 3 340.512 1.205 20 0 EDADHO Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1C(=O)NC[C@@H](C)N(C)C ZINC000448679368 305301267 /nfs/dbraw/zinc/30/12/67/305301267.db2.gz CJDCMNJSFBXOHL-HUUCEWRRSA-N 1 3 348.491 1.355 20 0 EDADHO Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000448679368 305301268 /nfs/dbraw/zinc/30/12/68/305301268.db2.gz CJDCMNJSFBXOHL-HUUCEWRRSA-N 1 3 348.491 1.355 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000516091264 305732704 /nfs/dbraw/zinc/73/27/04/305732704.db2.gz HTKBJPRVTOHYJB-RDJZCZTQSA-N 1 3 332.448 1.493 20 0 EDADHO CN(CCC(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccncc1 ZINC000541857133 306048322 /nfs/dbraw/zinc/04/83/22/306048322.db2.gz LWHNSBDOBHLJBU-UHFFFAOYSA-N 1 3 345.491 1.148 20 0 EDADHO Cc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)n(C2CCN(C)CC2)n1 ZINC000547543027 306103663 /nfs/dbraw/zinc/10/36/63/306103663.db2.gz MQADZLGENVENAJ-HNNXBMFYSA-N 1 3 348.495 1.874 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000557542210 306229104 /nfs/dbraw/zinc/22/91/04/306229104.db2.gz DVEBFZVZHNXYCP-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000426145950 447395840 /nfs/dbraw/zinc/39/58/40/447395840.db2.gz PLEMEJYWEFWUPZ-ROUUACIJSA-N 1 3 338.540 1.735 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415435619 447436896 /nfs/dbraw/zinc/43/68/96/447436896.db2.gz JJYNSIFWEHPNAI-ZFWWWQNUSA-N 1 3 332.448 1.273 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815619 441121780 /nfs/dbraw/zinc/12/17/80/441121780.db2.gz AKFBIYUVMYDRCG-ZBFHGGJFSA-N 1 3 330.432 1.074 20 0 EDADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419830827 447437831 /nfs/dbraw/zinc/43/78/31/447437831.db2.gz KTJSEAGBGLKUPN-UHFFFAOYSA-N 1 3 340.512 1.201 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000080457875 441172416 /nfs/dbraw/zinc/17/24/16/441172416.db2.gz LBJMCOTTYCJCQQ-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCCC1 ZINC000458655488 447440005 /nfs/dbraw/zinc/44/00/05/447440005.db2.gz PFOMEUVQIWOXPO-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000109786269 441506593 /nfs/dbraw/zinc/50/65/93/441506593.db2.gz NRZHRLOTIJMAPX-UHFFFAOYSA-N 1 3 346.475 1.920 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3COc4ccccc43)CC2)CC1 ZINC000113160447 441585247 /nfs/dbraw/zinc/58/52/47/441585247.db2.gz GMEHPWHGANPZPW-SFHVURJKSA-N 1 3 343.471 1.837 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000137460767 441770337 /nfs/dbraw/zinc/77/03/37/441770337.db2.gz PKSIBYDXMRVMRO-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000137460767 441770342 /nfs/dbraw/zinc/77/03/42/441770342.db2.gz PKSIBYDXMRVMRO-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)CC)[C@@H](C)C1 ZINC000115811769 441781102 /nfs/dbraw/zinc/78/11/02/441781102.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)CC)[C@@H](C)C1 ZINC000115811769 441781107 /nfs/dbraw/zinc/78/11/07/441781107.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1OC(F)F ZINC000077450348 441782866 /nfs/dbraw/zinc/78/28/66/441782866.db2.gz ONTUSZRJTKSZBL-UHFFFAOYSA-N 1 3 330.375 1.843 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCOCC1 ZINC000174487656 441929848 /nfs/dbraw/zinc/92/98/48/441929848.db2.gz YGUVEPLGVKXKID-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1CCOCC1 ZINC000174487656 441929852 /nfs/dbraw/zinc/92/98/52/441929852.db2.gz YGUVEPLGVKXKID-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000162914572 442130928 /nfs/dbraw/zinc/13/09/28/442130928.db2.gz PESPQBDWYFVAMC-KRWDZBQOSA-N 1 3 332.492 1.832 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000120860612 442143022 /nfs/dbraw/zinc/14/30/22/442143022.db2.gz NTOXHNAIQNIBHN-CABCVRRESA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000120860612 442143025 /nfs/dbraw/zinc/14/30/25/442143025.db2.gz NTOXHNAIQNIBHN-CABCVRRESA-N 1 3 336.484 1.639 20 0 EDADHO CN(C)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000152167548 442175706 /nfs/dbraw/zinc/17/57/06/442175706.db2.gz PMUJRDOYCQJELT-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000152167548 442175709 /nfs/dbraw/zinc/17/57/09/442175709.db2.gz PMUJRDOYCQJELT-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176311317 442208543 /nfs/dbraw/zinc/20/85/43/442208543.db2.gz PAUWBZAAIRZEGV-MRXNPFEDSA-N 1 3 342.528 1.905 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176311317 442208546 /nfs/dbraw/zinc/20/85/46/442208546.db2.gz PAUWBZAAIRZEGV-MRXNPFEDSA-N 1 3 342.528 1.905 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000152439704 442213042 /nfs/dbraw/zinc/21/30/42/442213042.db2.gz QNNRQTDYIDZDRY-KGLIPLIRSA-N 1 3 337.489 1.730 20 0 EDADHO CN(C(=O)C[C@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000166554415 442216868 /nfs/dbraw/zinc/21/68/68/442216868.db2.gz LZZOPOPSMYSTRY-QGZVFWFLSA-N 1 3 330.476 1.689 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000153106338 442262241 /nfs/dbraw/zinc/26/22/41/442262241.db2.gz AOSFBKGKQCHNDU-BBRMVZONSA-N 1 3 326.462 1.399 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000153106338 442262244 /nfs/dbraw/zinc/26/22/44/442262244.db2.gz AOSFBKGKQCHNDU-BBRMVZONSA-N 1 3 326.462 1.399 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@H](C)C1 ZINC000128687719 442282109 /nfs/dbraw/zinc/28/21/09/442282109.db2.gz JPEBXSWDIRIZDJ-WBVHZDCISA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@H](C)C1 ZINC000128687719 442282113 /nfs/dbraw/zinc/28/21/13/442282113.db2.gz JPEBXSWDIRIZDJ-WBVHZDCISA-N 1 3 340.512 1.469 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299074 /nfs/dbraw/zinc/29/90/74/442299074.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299075 /nfs/dbraw/zinc/29/90/75/442299075.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H](C(=O)NCc1ccccc1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379049 442333739 /nfs/dbraw/zinc/33/37/39/442333739.db2.gz PQMYLELBAACLAO-KRWDZBQOSA-N 1 3 346.519 1.649 20 0 EDADHO COCCN(C)CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131700524 442377807 /nfs/dbraw/zinc/37/78/07/442377807.db2.gz QLNMRMPMMLZEBU-WMZOPIPTSA-N 1 3 342.528 1.764 20 0 EDADHO CSCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132138600 442387799 /nfs/dbraw/zinc/38/77/99/442387799.db2.gz HRAKBJOKCHDRDL-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000130778100 442356376 /nfs/dbraw/zinc/35/63/76/442356376.db2.gz JKYQUBUXRMOLFE-OAHLLOKOSA-N 1 3 325.522 1.854 20 0 EDADHO CC[C@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CCC[NH2+]1 ZINC000134599657 442499546 /nfs/dbraw/zinc/49/95/46/442499546.db2.gz DRQIATUZTONDOF-LJQANCHMSA-N 1 3 346.475 1.126 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000178768420 442479972 /nfs/dbraw/zinc/47/99/72/442479972.db2.gz KIXIHHFGEKXDSH-QGZVFWFLSA-N 1 3 330.476 1.375 20 0 EDADHO Cc1cccc(C)c1NC(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178977926 442542582 /nfs/dbraw/zinc/54/25/82/442542582.db2.gz ZHIWVRAPYKONKX-UHFFFAOYSA-N 1 3 344.503 1.859 20 0 EDADHO CCO[C@@H](C)c1noc(CN2CCN(CC3CC[NH2+]CC3)CC2)n1 ZINC000178982201 442544406 /nfs/dbraw/zinc/54/44/06/442544406.db2.gz KZSUQQUQIVDCCI-AWEZNQCLSA-N 1 3 337.468 1.284 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839965 442694237 /nfs/dbraw/zinc/69/42/37/442694237.db2.gz ZTGATISOFODOEE-PBHICJAKSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839965 442694240 /nfs/dbraw/zinc/69/42/40/442694240.db2.gz ZTGATISOFODOEE-PBHICJAKSA-N 1 3 343.537 1.511 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596787 442792679 /nfs/dbraw/zinc/79/26/79/442792679.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596787 442792681 /nfs/dbraw/zinc/79/26/81/442792681.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247305012 442846424 /nfs/dbraw/zinc/84/64/24/442846424.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000247305012 442846429 /nfs/dbraw/zinc/84/64/29/442846429.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cc(CNC(=O)/C=C/C[NH+](C)C)ccc1OCCN(C)C ZINC000265663900 442869404 /nfs/dbraw/zinc/86/94/04/442869404.db2.gz RLPMBQWJSNQGJU-VOTSOKGWSA-N 1 3 335.448 1.370 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1(C)C ZINC000249062320 442948218 /nfs/dbraw/zinc/94/82/18/442948218.db2.gz HCYBALWAFPHJJR-RKVPGOIHSA-N 1 3 325.497 1.852 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1(C)C ZINC000249062320 442948220 /nfs/dbraw/zinc/94/82/20/442948220.db2.gz HCYBALWAFPHJJR-RKVPGOIHSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623088017 450398283 /nfs/dbraw/zinc/39/82/83/450398283.db2.gz SNXYHSBZYSLGAA-AZUAARDMSA-N 1 3 332.536 1.980 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185138454 443146282 /nfs/dbraw/zinc/14/62/82/443146282.db2.gz SRYZBYVITYVNQL-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO COCCN(C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185342869 443186805 /nfs/dbraw/zinc/18/68/05/443186805.db2.gz QNAYCDYGYPJDCP-UHFFFAOYSA-N 1 3 342.528 1.909 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000236959383 443153166 /nfs/dbraw/zinc/15/31/66/443153166.db2.gz PDBTWVKKYPUHPP-UHFFFAOYSA-N 1 3 330.476 1.192 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573292 443221580 /nfs/dbraw/zinc/22/15/80/443221580.db2.gz XETFUODNONVKAP-KRWDZBQOSA-N 1 3 339.528 1.044 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000269232514 443243097 /nfs/dbraw/zinc/24/30/97/443243097.db2.gz ARJAFQKSMNEPRU-PKOBYXMFSA-N 1 3 344.503 1.703 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000358503863 319112783 /nfs/dbraw/zinc/11/27/83/319112783.db2.gz FXUMEHCLNHVNHU-CYBMUJFWSA-N 1 3 333.398 1.863 20 0 EDADHO COCc1cccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503870 319112908 /nfs/dbraw/zinc/11/29/08/319112908.db2.gz HECKZTKYOGNCJZ-UHFFFAOYSA-N 1 3 331.460 1.525 20 0 EDADHO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000397551436 319135327 /nfs/dbraw/zinc/13/53/27/319135327.db2.gz UYUHZZAIHPLPEX-AWEZNQCLSA-N 1 3 329.485 1.726 20 0 EDADHO CCN1CC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064050 319314793 /nfs/dbraw/zinc/31/47/93/319314793.db2.gz FHQORNRUNKEDBX-CHWSQXEVSA-N 1 3 342.281 1.931 20 0 EDADHO Cc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414681457 319341362 /nfs/dbraw/zinc/34/13/62/319341362.db2.gz PHRGTAPAWREWBL-KRWDZBQOSA-N 1 3 330.476 1.314 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684290 319342323 /nfs/dbraw/zinc/34/23/23/319342323.db2.gz VFOYLWQMLQYHNH-ROUUACIJSA-N 1 3 336.524 1.395 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC000414692372 319343480 /nfs/dbraw/zinc/34/34/80/319343480.db2.gz PVQONMUNQREIDG-SFHVURJKSA-N 1 3 345.487 1.975 20 0 EDADHO COCCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415128852 319346923 /nfs/dbraw/zinc/34/69/23/319346923.db2.gz OJCREAOXCYLAON-QGZVFWFLSA-N 1 3 345.447 1.599 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938197 319383701 /nfs/dbraw/zinc/38/37/01/319383701.db2.gz OGRVUWUFVGIPHI-HNNXBMFYSA-N 1 3 336.436 1.256 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185809201 443261994 /nfs/dbraw/zinc/26/19/94/443261994.db2.gz QGJHUSFFLKYKJQ-HZPDHXFCSA-N 1 3 327.517 1.042 20 0 EDADHO CC[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000269283499 443266038 /nfs/dbraw/zinc/26/60/38/443266038.db2.gz GWSXCOUDPLOEKY-SFHVURJKSA-N 1 3 332.492 1.438 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)[C@H](C[NH3+])C1 ZINC000416837102 319465536 /nfs/dbraw/zinc/46/55/36/319465536.db2.gz WMLYNWUONJARBH-LSDHHAIUSA-N 1 3 326.485 1.399 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000416852265 319466478 /nfs/dbraw/zinc/46/64/78/319466478.db2.gz SEXIPSRLSUXAAE-ZWKOTPCHSA-N 1 3 332.492 1.976 20 0 EDADHO C[NH2+]CCCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417333217 319492875 /nfs/dbraw/zinc/49/28/75/319492875.db2.gz PPAGHSUEJAQAHB-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335137 /nfs/dbraw/zinc/33/51/37/443335137.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335139 /nfs/dbraw/zinc/33/51/39/443335139.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 1 3 342.487 1.997 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)NCCNc1ccncc1)c1ccccc1 ZINC000418675758 319510521 /nfs/dbraw/zinc/51/05/21/319510521.db2.gz PYTOOWGHMOJOJM-KRWDZBQOSA-N 1 3 327.432 1.695 20 0 EDADHO CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CC1 ZINC000418912271 319531210 /nfs/dbraw/zinc/53/12/10/319531210.db2.gz MLZOBWLTFHDTDA-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650327 443396255 /nfs/dbraw/zinc/39/62/55/443396255.db2.gz FFZZGFPHRQZSBH-XJKSGUPXSA-N 1 3 332.448 1.235 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391432 319769760 /nfs/dbraw/zinc/76/97/60/319769760.db2.gz PLJQAMKPWPYXPA-CHWSQXEVSA-N 1 3 338.418 1.059 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2ccccc2OCC[NH+](C)C)CCO1 ZINC000265395113 443627216 /nfs/dbraw/zinc/62/72/16/443627216.db2.gz VELQKBSCVBQARM-OAHLLOKOSA-N 1 3 335.448 1.030 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000265414908 443634184 /nfs/dbraw/zinc/63/41/84/443634184.db2.gz ICBFEEPJDADKJZ-MSOLQXFVSA-N 1 3 346.475 1.233 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000265365339 443617419 /nfs/dbraw/zinc/61/74/19/443617419.db2.gz NANWTVQZAAQEEE-GOSISDBHSA-N 1 3 333.476 1.931 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711233 320339278 /nfs/dbraw/zinc/33/92/78/320339278.db2.gz XCTXZKUBLWWLDC-LJQANCHMSA-N 1 3 334.508 1.988 20 0 EDADHO CO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C12CCC2 ZINC000459738436 320349397 /nfs/dbraw/zinc/34/93/97/320349397.db2.gz AHKXMHGXKVMCMU-OKZBNKHCSA-N 1 3 345.487 1.953 20 0 EDADHO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000479295236 320355069 /nfs/dbraw/zinc/35/50/69/320355069.db2.gz KPIMINGKLWANIO-QWFCFKBJSA-N 1 3 343.471 1.224 20 0 EDADHO COC[C@H](O)C[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000516862271 320441850 /nfs/dbraw/zinc/44/18/50/320441850.db2.gz RYLVNXJASSNLHX-LJQANCHMSA-N 1 3 335.492 1.494 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000525896011 320494214 /nfs/dbraw/zinc/49/42/14/320494214.db2.gz IZQRSSVRUBQPAS-UHFFFAOYSA-N 1 3 346.475 1.144 20 0 EDADHO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000277063549 443899188 /nfs/dbraw/zinc/89/91/88/443899188.db2.gz WGRMGYKJVQOHIH-OKZBNKHCSA-N 1 3 333.476 1.953 20 0 EDADHO COCCCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000299386554 444034579 /nfs/dbraw/zinc/03/45/79/444034579.db2.gz RFDXDBYAWAOPOT-IAGOWNOFSA-N 1 3 347.503 1.885 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000554528377 320952723 /nfs/dbraw/zinc/95/27/23/320952723.db2.gz PQTWNMNYCOQMPL-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000562420277 321056914 /nfs/dbraw/zinc/05/69/14/321056914.db2.gz DGJAHEDJRAJKNO-UHFFFAOYSA-N 1 3 339.505 1.758 20 0 EDADHO CN(CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000562802908 321076930 /nfs/dbraw/zinc/07/69/30/321076930.db2.gz HPPHGSURPIVGAA-KZNAEPCWSA-N 1 3 330.476 1.806 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959348 321083799 /nfs/dbraw/zinc/08/37/99/321083799.db2.gz BESFYHNNDQNSJN-ZSZQSSIHSA-N 1 3 344.459 1.636 20 0 EDADHO C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1CN)C[NH+]1CCCC1 ZINC000563093150 321094700 /nfs/dbraw/zinc/09/47/00/321094700.db2.gz WPDYPQVTYQXOIZ-YJBOKZPZSA-N 1 3 330.476 1.986 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000563545556 321111320 /nfs/dbraw/zinc/11/13/20/321111320.db2.gz CELGQPTWJAPUCK-QZTJIDSGSA-N 1 3 346.475 1.501 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cn3ccnc3)CC2)CC1 ZINC000564736962 321144612 /nfs/dbraw/zinc/14/46/12/321144612.db2.gz QRTAKEAJGDTAQF-INIZCTEOSA-N 1 3 347.507 1.584 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000565039055 321165491 /nfs/dbraw/zinc/16/54/91/321165491.db2.gz WAQDGECLNDTMLX-QGZVFWFLSA-N 1 3 334.464 1.510 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C)CCOCC3)CC2)CC1 ZINC000565185819 321174880 /nfs/dbraw/zinc/17/48/80/321174880.db2.gz MLQJSQYDWIIQHW-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO CC[C@@H](O)CCCNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565188602 321175663 /nfs/dbraw/zinc/17/56/63/321175663.db2.gz JNXUCLOXLKXOGF-GOSISDBHSA-N 1 3 339.524 1.850 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000565477399 321188146 /nfs/dbraw/zinc/18/81/46/321188146.db2.gz FDGGTDHQTBIVFI-MSOLQXFVSA-N 1 3 330.476 1.315 20 0 EDADHO CC(C)[C@H](CNC[C@H](O)CN1CCN(C)CC1)[NH+]1CCCCCC1 ZINC000566107885 321215635 /nfs/dbraw/zinc/21/56/35/321215635.db2.gz PXLJKKZCHWJRBT-OALUTQOASA-N 1 3 340.556 1.085 20 0 EDADHO CC(C)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)N1CCCCCC1 ZINC000566107885 321215636 /nfs/dbraw/zinc/21/56/36/321215636.db2.gz PXLJKKZCHWJRBT-OALUTQOASA-N 1 3 340.556 1.085 20 0 EDADHO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000567846431 321262548 /nfs/dbraw/zinc/26/25/48/321262548.db2.gz ARTIZNODZNPZBB-KRWDZBQOSA-N 1 3 342.447 1.276 20 0 EDADHO C[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028716 321334641 /nfs/dbraw/zinc/33/46/41/321334641.db2.gz KSJUXYVTUWDXGV-IEBWSBKVSA-N 1 3 330.476 1.950 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000570573636 321349106 /nfs/dbraw/zinc/34/91/06/321349106.db2.gz XKLNDNJLSWEVHG-GDBMZVCRSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1C1CC1 ZINC000570815183 321360040 /nfs/dbraw/zinc/36/00/40/321360040.db2.gz FJQCNFFMUZCVFR-HUHSQHJXSA-N 1 3 328.460 1.666 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000571675996 321396946 /nfs/dbraw/zinc/39/69/46/321396946.db2.gz NQXWQKCCSJMVHP-KDOFPFPSSA-N 1 3 331.460 1.258 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000289619343 444181939 /nfs/dbraw/zinc/18/19/39/444181939.db2.gz BAQIPFSIAHSUQP-IAGOWNOFSA-N 1 3 347.459 1.438 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000290218226 444255446 /nfs/dbraw/zinc/25/54/46/444255446.db2.gz STAKVZDVXZWJMU-ROUUACIJSA-N 1 3 345.491 1.098 20 0 EDADHO C[C@](O)(C[NH2+]C1CCN(C2CCCCC2)CC1)CN1CCOCC1 ZINC000305194824 444263927 /nfs/dbraw/zinc/26/39/27/444263927.db2.gz YYUMEBQXQNKVDA-IBGZPJMESA-N 1 3 339.524 1.456 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000296508779 444234309 /nfs/dbraw/zinc/23/43/09/444234309.db2.gz RLDFQEJUWDALTL-QGZVFWFLSA-N 1 3 344.503 1.451 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000290684723 444310377 /nfs/dbraw/zinc/31/03/77/444310377.db2.gz UJTPGXCSNABQNJ-OAHLLOKOSA-N 1 3 336.480 1.872 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000290684723 444310380 /nfs/dbraw/zinc/31/03/80/444310380.db2.gz UJTPGXCSNABQNJ-OAHLLOKOSA-N 1 3 336.480 1.872 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)N1CCN(C)CC1 ZINC000326442128 444375002 /nfs/dbraw/zinc/37/50/02/444375002.db2.gz WUEZMBNOWAAMKK-MSOLQXFVSA-N 1 3 338.540 1.672 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000340471648 444391438 /nfs/dbraw/zinc/39/14/38/444391438.db2.gz FASRHXYQQYKNOO-IAGOWNOFSA-N 1 3 345.553 1.350 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000331164130 444425978 /nfs/dbraw/zinc/42/59/78/444425978.db2.gz XSSMARJXTMGGST-GJZGRUSLSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1C ZINC000331164130 444425982 /nfs/dbraw/zinc/42/59/82/444425982.db2.gz XSSMARJXTMGGST-GJZGRUSLSA-N 1 3 336.484 1.781 20 0 EDADHO CCOCC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000580065167 322004136 /nfs/dbraw/zinc/00/41/36/322004136.db2.gz MCHVCIDFFAJYIX-LJQANCHMSA-N 1 3 336.476 1.520 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000580071928 322005698 /nfs/dbraw/zinc/00/56/98/322005698.db2.gz FYMYLBMQDOBHNP-AEFFLSMTSA-N 1 3 330.476 1.752 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000580297125 322032591 /nfs/dbraw/zinc/03/25/91/322032591.db2.gz MZCFESSVMJLJKB-QGZVFWFLSA-N 1 3 344.459 1.431 20 0 EDADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1CNCCO1 ZINC000580882693 322107507 /nfs/dbraw/zinc/10/75/07/322107507.db2.gz UEBTYYUDYOGLJI-GOSISDBHSA-N 1 3 346.475 1.460 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000581246268 322154357 /nfs/dbraw/zinc/15/43/57/322154357.db2.gz OCBWMYQWOBOMRE-QSMSVPEVSA-N 1 3 341.540 1.413 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338236175 444579849 /nfs/dbraw/zinc/57/98/49/444579849.db2.gz HVBIZGVNADXCEL-KRWDZBQOSA-N 1 3 345.553 1.712 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338236175 444579853 /nfs/dbraw/zinc/57/98/53/444579853.db2.gz HVBIZGVNADXCEL-KRWDZBQOSA-N 1 3 345.553 1.712 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000333463150 444673711 /nfs/dbraw/zinc/67/37/11/444673711.db2.gz ZKZMUPKVQZUDNZ-PBHICJAKSA-N 1 3 330.476 1.464 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)NC1CC[NH2+]CC1 ZINC000333934041 444722561 /nfs/dbraw/zinc/72/25/61/444722561.db2.gz IEEYGVYNGUZVIN-UHFFFAOYSA-N 1 3 326.510 1.399 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425606 444686271 /nfs/dbraw/zinc/68/62/71/444686271.db2.gz PHSFEJUFKSNMBM-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425606 444686274 /nfs/dbraw/zinc/68/62/74/444686274.db2.gz PHSFEJUFKSNMBM-BEFAXECRSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H](O)C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341252464 444749738 /nfs/dbraw/zinc/74/97/38/444749738.db2.gz ZYPNCKUPFSUSIY-ZIAGYGMSSA-N 1 3 326.485 1.004 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000342587572 444759276 /nfs/dbraw/zinc/75/92/76/444759276.db2.gz QNBMYBVLYOKEQT-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000344133848 444799329 /nfs/dbraw/zinc/79/93/29/444799329.db2.gz MEORFPPWKYZYPB-QGZVFWFLSA-N 1 3 342.487 1.795 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000344133848 444799333 /nfs/dbraw/zinc/79/93/33/444799333.db2.gz MEORFPPWKYZYPB-QGZVFWFLSA-N 1 3 342.487 1.795 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000342656197 444799796 /nfs/dbraw/zinc/79/97/96/444799796.db2.gz RNCHQBGCOLCNQN-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338834710 444879235 /nfs/dbraw/zinc/87/92/35/444879235.db2.gz DBDVNSAWMRJXJE-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO CS[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1N1CCCC1 ZINC000338817341 444867812 /nfs/dbraw/zinc/86/78/12/444867812.db2.gz YJDZPPCNRZNMGY-DLBZAZTESA-N 1 3 337.533 1.899 20 0 EDADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CCCC1 ZINC000342950670 444961423 /nfs/dbraw/zinc/96/14/23/444961423.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCCN1C1CCCC1 ZINC000342950670 444961427 /nfs/dbraw/zinc/96/14/27/444961427.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 1 3 337.508 1.747 20 0 EDADHO CN(c1ccccc1C[NH2+]C[C@H](O)[C@H]1CCOC1)C1CCN(C)CC1 ZINC000344478503 444999722 /nfs/dbraw/zinc/99/97/22/444999722.db2.gz IJYGVAMITCVXID-PXNSSMCTSA-N 1 3 347.503 1.704 20 0 EDADHO CN(c1ccccc1CNC[C@H](O)[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000344478503 444999724 /nfs/dbraw/zinc/99/97/24/444999724.db2.gz IJYGVAMITCVXID-PXNSSMCTSA-N 1 3 347.503 1.704 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)[C@H]2CCOC2)CC1 ZINC000344481730 445001794 /nfs/dbraw/zinc/00/17/94/445001794.db2.gz PXTFPTACADIIDN-AZUAARDMSA-N 1 3 347.503 1.706 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343126617 445082339 /nfs/dbraw/zinc/08/23/39/445082339.db2.gz CXXFIYJBOXRXIY-KURKYZTESA-N 1 3 336.524 1.251 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079111 445160325 /nfs/dbraw/zinc/16/03/25/445160325.db2.gz DUORMEWDDIXSDV-GVDBMIGSSA-N 1 3 344.459 1.462 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000343358569 445209210 /nfs/dbraw/zinc/20/92/10/445209210.db2.gz DHCHANUSTHSOBM-RTBURBONSA-N 1 3 348.535 1.347 20 0 EDADHO CC(CN1CCCC[C@H]1CC(N)=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000346645275 445220896 /nfs/dbraw/zinc/22/08/96/445220896.db2.gz PERFRLIKWIXMRE-HOTGVXAUSA-N 1 3 338.496 1.082 20 0 EDADHO CC(CN1CCCC[C@H]1CC(N)=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000346645275 445220897 /nfs/dbraw/zinc/22/08/97/445220897.db2.gz PERFRLIKWIXMRE-HOTGVXAUSA-N 1 3 338.496 1.082 20 0 EDADHO Cn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000343513973 445236837 /nfs/dbraw/zinc/23/68/37/445236837.db2.gz IIUYHPFMKUAHLF-NVXWUHKLSA-N 1 3 335.496 1.113 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)N(C)C1 ZINC000347563788 445242536 /nfs/dbraw/zinc/24/25/36/445242536.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 1 3 340.512 1.325 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)N(C)C1 ZINC000347563788 445242537 /nfs/dbraw/zinc/24/25/37/445242537.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 1 3 340.512 1.325 20 0 EDADHO C[C@H](NCCCS(=O)(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347949164 445257037 /nfs/dbraw/zinc/25/70/37/445257037.db2.gz GZFITQYEQQWDFT-GJZGRUSLSA-N 1 3 331.526 1.511 20 0 EDADHO C[C@H](NCCCS(=O)(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347949164 445257041 /nfs/dbraw/zinc/25/70/41/445257041.db2.gz GZFITQYEQQWDFT-GJZGRUSLSA-N 1 3 331.526 1.511 20 0 EDADHO C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000347949164 445257045 /nfs/dbraw/zinc/25/70/45/445257045.db2.gz GZFITQYEQQWDFT-GJZGRUSLSA-N 1 3 331.526 1.511 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000348131114 445285290 /nfs/dbraw/zinc/28/52/90/445285290.db2.gz ZVIJPBQNVBTCDA-BZUAXINKSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccncc2OCCN(C)C)C[C@H]1[NH+](C)C ZINC000359735036 445399084 /nfs/dbraw/zinc/39/90/84/445399084.db2.gz ZXTGVJMRRKIRAP-GOEBONIOSA-N 1 3 349.479 1.114 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1[NH+](C)C ZINC000362656585 445481481 /nfs/dbraw/zinc/48/14/81/445481481.db2.gz SAGVIQKYGWPUJO-KBAYOESNSA-N 1 3 332.492 1.751 20 0 EDADHO CCN1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000355067783 445442117 /nfs/dbraw/zinc/44/21/17/445442117.db2.gz YNIIAIRKDXOGGX-LNLFQRSKSA-N 1 3 346.519 1.820 20 0 EDADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]1CN1CCCCC1 ZINC000362568777 445444510 /nfs/dbraw/zinc/44/45/10/445444510.db2.gz LPEDLRNMGDQFHU-LSDHHAIUSA-N 1 3 331.464 1.577 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355406567 445458363 /nfs/dbraw/zinc/45/83/63/445458363.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000355406567 445458366 /nfs/dbraw/zinc/45/83/66/445458366.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 1 3 336.524 1.488 20 0 EDADHO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCC[C@H]2CO)C1 ZINC000352550127 445537316 /nfs/dbraw/zinc/53/73/16/445537316.db2.gz KJBBBXUMHCYEDP-OWCLPIDISA-N 1 3 332.510 1.169 20 0 EDADHO CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCCN)CC2CCCC2)C1 ZINC000352495576 445534384 /nfs/dbraw/zinc/53/43/84/445534384.db2.gz MUVCHOXPUOABFW-INIZCTEOSA-N 1 3 331.526 1.499 20 0 EDADHO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](CCCN)CC2CCCC2)C1 ZINC000352495576 445534388 /nfs/dbraw/zinc/53/43/88/445534388.db2.gz MUVCHOXPUOABFW-INIZCTEOSA-N 1 3 331.526 1.499 20 0 EDADHO CCc1oc(CN(C)CCC[NH+]2CCN(C)CC2)cc1C(=O)OC ZINC000349337263 445566449 /nfs/dbraw/zinc/56/64/49/445566449.db2.gz ZLTLZAQBQLOONM-UHFFFAOYSA-N 1 3 337.464 1.698 20 0 EDADHO C[NH+]1CCC(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000362868937 445588717 /nfs/dbraw/zinc/58/87/17/445588717.db2.gz RWANGIQNDLOMNU-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)CCN(C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356106248 445624676 /nfs/dbraw/zinc/62/46/76/445624676.db2.gz CFLCRXLPGWFTNF-UHFFFAOYSA-N 1 3 348.491 1.864 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCC1(c2ccccc2)CC1 ZINC000358515544 445627588 /nfs/dbraw/zinc/62/75/88/445627588.db2.gz YULLLGQLHIIACO-UHFFFAOYSA-N 1 3 327.472 1.910 20 0 EDADHO COc1ccc(C[C@H](C)[NH2+]CC2(O)CCN(C)CC2)c(C)c1OC ZINC000353531015 445644694 /nfs/dbraw/zinc/64/46/94/445644694.db2.gz NUUZLHYTZNEBBM-AWEZNQCLSA-N 1 3 336.476 1.990 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000353527983 445643728 /nfs/dbraw/zinc/64/37/28/445643728.db2.gz FFOPEGURLCZRMW-IBGZPJMESA-N 1 3 347.503 1.802 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000353527983 445643733 /nfs/dbraw/zinc/64/37/33/445643733.db2.gz FFOPEGURLCZRMW-IBGZPJMESA-N 1 3 347.503 1.802 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000363439823 445804702 /nfs/dbraw/zinc/80/47/02/445804702.db2.gz NDXGGJSVNBDXNU-OAHLLOKOSA-N 1 3 342.553 1.987 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000354163259 445960252 /nfs/dbraw/zinc/96/02/52/445960252.db2.gz LRFHSZWNXSTNPG-DQPZFDDXSA-N 1 3 340.537 1.740 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000361790726 445948727 /nfs/dbraw/zinc/94/87/27/445948727.db2.gz VZYPHNIWGIRTMB-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(CCO[C@H]3CCCCO3)C2)CC1 ZINC000373119478 446042766 /nfs/dbraw/zinc/04/27/66/446042766.db2.gz ZAALHAGIASLYEE-MSOLQXFVSA-N 1 3 325.497 1.489 20 0 EDADHO CCN(CC)[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000583858971 326153159 /nfs/dbraw/zinc/15/31/59/326153159.db2.gz KZRGHERHUSTHSJ-VQTJNVASSA-N 1 3 348.535 1.267 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993617 326180051 /nfs/dbraw/zinc/18/00/51/326180051.db2.gz OABSTFLUPHCYMJ-CEXWTWQISA-N 1 3 342.487 1.752 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436809 446066145 /nfs/dbraw/zinc/06/61/45/446066145.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 1 3 325.497 1.458 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436809 446066147 /nfs/dbraw/zinc/06/61/47/446066147.db2.gz ARACIODCZFOYMZ-INMHGKMJSA-N 1 3 325.497 1.458 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000359249621 446083175 /nfs/dbraw/zinc/08/31/75/446083175.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000359249621 446083178 /nfs/dbraw/zinc/08/31/78/446083178.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)N(C)C ZINC000366295617 446134843 /nfs/dbraw/zinc/13/48/43/446134843.db2.gz MIMJPISLASNDQT-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266792 446113084 /nfs/dbraw/zinc/11/30/84/446113084.db2.gz LSXYNBYNEXFVFN-QZWWFDLISA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266792 446113088 /nfs/dbraw/zinc/11/30/88/446113088.db2.gz LSXYNBYNEXFVFN-QZWWFDLISA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(OCCN(C)C)cc1 ZINC000361983313 446127560 /nfs/dbraw/zinc/12/75/60/446127560.db2.gz UEOVAHPCCLMLJE-OAHLLOKOSA-N 1 3 329.448 2.180 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)C(C)C ZINC000359401810 446201996 /nfs/dbraw/zinc/20/19/96/446201996.db2.gz QSXSZNLUXHWQTF-CVEARBPZSA-N 1 3 340.512 1.020 20 0 EDADHO CC(C)N(C)CC(=O)N1[C@H](C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000362307201 446314112 /nfs/dbraw/zinc/31/41/12/446314112.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1[C@H](C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000362307201 446314115 /nfs/dbraw/zinc/31/41/15/446314115.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000362307201 446314120 /nfs/dbraw/zinc/31/41/20/446314120.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000362307201 446314125 /nfs/dbraw/zinc/31/41/25/446314125.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 1 3 340.512 1.115 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417369912 446350146 /nfs/dbraw/zinc/35/01/46/446350146.db2.gz RYVCPMBZXLLKBZ-BBRMVZONSA-N 1 3 336.505 1.997 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417371128 446350745 /nfs/dbraw/zinc/35/07/45/446350745.db2.gz VBJCJTBYWKJTHY-WBVHZDCISA-N 1 3 348.491 1.944 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417955392 446398868 /nfs/dbraw/zinc/39/88/68/446398868.db2.gz RNTBFECMOYUZTN-HOCLYGCPSA-N 1 3 349.479 1.433 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633892 446365354 /nfs/dbraw/zinc/36/53/54/446365354.db2.gz JFPGGONDVUIIJS-ANQUJSFKSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633892 446365361 /nfs/dbraw/zinc/36/53/61/446365361.db2.gz JFPGGONDVUIIJS-ANQUJSFKSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)N(C)Cc1ccccc1 ZINC000417592787 446366063 /nfs/dbraw/zinc/36/60/63/446366063.db2.gz UHMZXUQYJWVUJB-TZMCWYRMSA-N 1 3 328.407 1.789 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418100917 446440109 /nfs/dbraw/zinc/44/01/09/446440109.db2.gz FPWOOPWCOMIKKL-JZXOWHBKSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418100917 446440115 /nfs/dbraw/zinc/44/01/15/446440115.db2.gz FPWOOPWCOMIKKL-JZXOWHBKSA-N 1 3 330.476 1.900 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000418135212 446441866 /nfs/dbraw/zinc/44/18/66/446441866.db2.gz HRRZBRGOTPKYHK-MSOLQXFVSA-N 1 3 346.475 1.185 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000418135212 446441873 /nfs/dbraw/zinc/44/18/73/446441873.db2.gz HRRZBRGOTPKYHK-MSOLQXFVSA-N 1 3 346.475 1.185 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370788035 446443171 /nfs/dbraw/zinc/44/31/71/446443171.db2.gz POVWBCQZXXUNAL-IRXDYDNUSA-N 1 3 348.516 1.505 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420279888 446448081 /nfs/dbraw/zinc/44/80/81/446448081.db2.gz XQHRJRFDGLYOAW-WMZOPIPTSA-N 1 3 332.492 1.337 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989592 446408578 /nfs/dbraw/zinc/40/85/78/446408578.db2.gz TYONWTKGYRRYST-DOTOQJQBSA-N 1 3 334.464 1.185 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCCN1C ZINC000418012705 446415571 /nfs/dbraw/zinc/41/55/71/446415571.db2.gz YBBDCOHKVHFLMZ-XOYOTBSWSA-N 1 3 330.476 1.853 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418021820 446418301 /nfs/dbraw/zinc/41/83/01/446418301.db2.gz AIGAGCQPFWKTTG-XWTMOSNGSA-N 1 3 330.476 1.660 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000432545418 446482599 /nfs/dbraw/zinc/48/25/99/446482599.db2.gz ILEFWZUAFPSOSA-VQHPVUNQSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@H](C(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000432545419 446483204 /nfs/dbraw/zinc/48/32/04/446483204.db2.gz ILEFWZUAFPSOSA-YYIAUSFCSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@H](C(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000432545419 446483209 /nfs/dbraw/zinc/48/32/09/446483209.db2.gz ILEFWZUAFPSOSA-YYIAUSFCSA-N 1 3 325.497 1.865 20 0 EDADHO N[C@@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862166 446486036 /nfs/dbraw/zinc/48/60/36/446486036.db2.gz PQGUNGXUVNUBIF-SFHVURJKSA-N 1 3 331.460 1.790 20 0 EDADHO N[C@@H](CC(=O)N1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862166 446486043 /nfs/dbraw/zinc/48/60/43/446486043.db2.gz PQGUNGXUVNUBIF-SFHVURJKSA-N 1 3 331.460 1.790 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363738 446501143 /nfs/dbraw/zinc/50/11/43/446501143.db2.gz VDBOIJKZUIMIHX-HNNXBMFYSA-N 1 3 336.484 1.401 20 0 EDADHO NC[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334985 446504926 /nfs/dbraw/zinc/50/49/26/446504926.db2.gz UQLCQCKESLSUSH-KRWDZBQOSA-N 1 3 337.508 1.760 20 0 EDADHO NC[C@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334985 446504931 /nfs/dbraw/zinc/50/49/31/446504931.db2.gz UQLCQCKESLSUSH-KRWDZBQOSA-N 1 3 337.508 1.760 20 0 EDADHO [NH3+]C[C@H]1CN(CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334985 446504941 /nfs/dbraw/zinc/50/49/41/446504941.db2.gz UQLCQCKESLSUSH-KRWDZBQOSA-N 1 3 337.508 1.760 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000418358362 446513952 /nfs/dbraw/zinc/51/39/52/446513952.db2.gz ZDDZOITZPCKKQK-CVEARBPZSA-N 1 3 333.480 1.543 20 0 EDADHO Cc1ccc(NC(=O)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420343148 446515275 /nfs/dbraw/zinc/51/52/75/446515275.db2.gz RFBMXQLRBKAOBJ-IYBDPMFKSA-N 1 3 344.459 1.883 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418484495 446561479 /nfs/dbraw/zinc/56/14/79/446561479.db2.gz ZZDFTVYKTIBPHP-XIRDDKMYSA-N 1 3 334.464 1.725 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418487777 446562606 /nfs/dbraw/zinc/56/26/06/446562606.db2.gz JFAFJXHKRGSSIO-QSFKDOLUSA-N 1 3 338.496 1.038 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562928 /nfs/dbraw/zinc/56/29/28/446562928.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 1 3 342.531 1.780 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562933 /nfs/dbraw/zinc/56/29/33/446562933.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 1 3 342.531 1.780 20 0 EDADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344766 446517770 /nfs/dbraw/zinc/51/77/70/446517770.db2.gz USJNWFONEPRRTO-SOUVJXGZSA-N 1 3 333.501 1.953 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398161 446527734 /nfs/dbraw/zinc/52/77/34/446527734.db2.gz KGNYVQYGBPHZOD-MSOLQXFVSA-N 1 3 345.491 1.815 20 0 EDADHO CC1(C)CNCC[C@@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360229 446539719 /nfs/dbraw/zinc/53/97/19/446539719.db2.gz KVGCWFYFJXNPBJ-INIZCTEOSA-N 1 3 340.489 1.837 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H]1NCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360229 446539723 /nfs/dbraw/zinc/53/97/23/446539723.db2.gz KVGCWFYFJXNPBJ-INIZCTEOSA-N 1 3 340.489 1.837 20 0 EDADHO Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@H](CN)C(C)(C)C)CC1 ZINC000420362981 446543332 /nfs/dbraw/zinc/54/33/32/446543332.db2.gz NOKPJXVPVCQMAG-GOSISDBHSA-N 1 3 346.519 1.602 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418450226 446547207 /nfs/dbraw/zinc/54/72/07/446547207.db2.gz LFZQYILCICCLHD-QGZVFWFLSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000453148046 446549180 /nfs/dbraw/zinc/54/91/80/446549180.db2.gz QPCWIVHMSDOPIW-HNNXBMFYSA-N 1 3 341.459 1.489 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000367975730 446616159 /nfs/dbraw/zinc/61/61/59/446616159.db2.gz BVPZEENPNGJWPQ-IRXDYDNUSA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418547545 446588973 /nfs/dbraw/zinc/58/89/73/446588973.db2.gz JFMHEURDPZKOGZ-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H](CNC(=O)N1CCN2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000375166623 446619083 /nfs/dbraw/zinc/61/90/83/446619083.db2.gz KADHQXMCOOQOQC-MRXNPFEDSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H](CNC(=O)N1CCN2CCC1CC2)[N@@H+](C)Cc1ccccc1 ZINC000375166623 446619089 /nfs/dbraw/zinc/61/90/89/446619089.db2.gz KADHQXMCOOQOQC-MRXNPFEDSA-N 1 3 330.476 1.997 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418559693 446594100 /nfs/dbraw/zinc/59/41/00/446594100.db2.gz WLEINIPRVPFYBO-UHFFFAOYSA-N 1 3 348.491 1.790 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418588257 446605140 /nfs/dbraw/zinc/60/51/40/446605140.db2.gz HPSNZGWDTALOMI-WMLDXEAASA-N 1 3 336.455 1.897 20 0 EDADHO C[C@@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658144 446637319 /nfs/dbraw/zinc/63/73/19/446637319.db2.gz JCSBGXCWBJRSDI-KVDVXYDOSA-N 1 3 334.508 1.746 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768902 446687344 /nfs/dbraw/zinc/68/73/44/446687344.db2.gz MYDBPMYYZYWBTR-HOTGVXAUSA-N 1 3 338.496 1.413 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271666 446730614 /nfs/dbraw/zinc/73/06/14/446730614.db2.gz UEIQMEXIRCKNSB-LPHOPBHVSA-N 1 3 333.476 1.639 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000375349487 446741413 /nfs/dbraw/zinc/74/14/13/446741413.db2.gz ZDSBQZUTOMFEJH-UHFFFAOYSA-N 1 3 345.487 1.785 20 0 EDADHO C[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N1CCCCCC1 ZINC000423997854 446815623 /nfs/dbraw/zinc/81/56/23/446815623.db2.gz IIZNEAWLIBOJGB-BPQIPLTHSA-N 1 3 337.508 1.996 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1CN ZINC000418942750 446815964 /nfs/dbraw/zinc/81/59/64/446815964.db2.gz XUPMVVMMGZMZHX-CVEARBPZSA-N 1 3 340.512 1.201 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424008405 446820100 /nfs/dbraw/zinc/82/01/00/446820100.db2.gz HYLUJNWSGHSRLU-JFMONLCZSA-N 1 3 331.435 2.000 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000420820830 446842445 /nfs/dbraw/zinc/84/24/45/446842445.db2.gz QGWHVWTZXTZGIQ-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)ccn1 ZINC000420820830 446842452 /nfs/dbraw/zinc/84/24/52/446842452.db2.gz QGWHVWTZXTZGIQ-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000418980598 446844085 /nfs/dbraw/zinc/84/40/85/446844085.db2.gz AMGIESRTNJLOCN-KRWDZBQOSA-N 1 3 348.491 1.196 20 0 EDADHO CN1CC[C@H]2CN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454209060 446807267 /nfs/dbraw/zinc/80/72/67/446807267.db2.gz IELXLKJVIQHXKN-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN1CC[C@H]2CN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)C[C@H]21 ZINC000454209060 446807276 /nfs/dbraw/zinc/80/72/76/446807276.db2.gz IELXLKJVIQHXKN-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)N(C)C ZINC000454438014 446872998 /nfs/dbraw/zinc/87/29/98/446872998.db2.gz QIPYUWQHIXBRBD-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419034529 446876056 /nfs/dbraw/zinc/87/60/56/446876056.db2.gz ZYTKPIVXNAEZRZ-CQSZACIVSA-N 1 3 340.512 1.247 20 0 EDADHO Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000375702782 446987859 /nfs/dbraw/zinc/98/78/59/446987859.db2.gz CYHHHGKLTKOBAK-MSOLQXFVSA-N 1 3 331.460 1.582 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n2ncnc2n1 ZINC000375851130 447098822 /nfs/dbraw/zinc/09/88/22/447098822.db2.gz KSKPQTWANOJHIA-ZNMIVQPWSA-N 1 3 329.452 1.307 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n2ncnc2n1 ZINC000375851130 447098831 /nfs/dbraw/zinc/09/88/31/447098831.db2.gz KSKPQTWANOJHIA-ZNMIVQPWSA-N 1 3 329.452 1.307 20 0 EDADHO CN1CCN(CC2(C)CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)CC1 ZINC000368820726 447133693 /nfs/dbraw/zinc/13/36/93/447133693.db2.gz GCDPCUVBDGKNFQ-VQTJNVASSA-N 1 3 343.515 1.994 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000455652957 447195656 /nfs/dbraw/zinc/19/56/56/447195656.db2.gz CZNBHYORYWLYFD-UHFFFAOYSA-N 1 3 334.468 1.441 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000379667135 447454391 /nfs/dbraw/zinc/45/43/91/447454391.db2.gz YNRPNGJNEQODCO-QRFRQXIXSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390902441 447505061 /nfs/dbraw/zinc/50/50/61/447505061.db2.gz VNHJYWPVPLARNK-CRAIPNDOSA-N 1 3 331.460 1.534 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390991642 447508175 /nfs/dbraw/zinc/50/81/75/447508175.db2.gz MTEHPEKXQJHODO-XVLXNVKGSA-N 1 3 343.471 1.677 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390991642 447508181 /nfs/dbraw/zinc/50/81/81/447508181.db2.gz MTEHPEKXQJHODO-XVLXNVKGSA-N 1 3 343.471 1.677 20 0 EDADHO CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NC(C)(C)C)n1 ZINC000450821974 447588114 /nfs/dbraw/zinc/58/81/14/447588114.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 1 3 333.484 1.395 20 0 EDADHO CCNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC(C)(C)C)n1 ZINC000450821974 447588120 /nfs/dbraw/zinc/58/81/20/447588120.db2.gz AQMZAVZCSOBVIV-YHWZYXNKSA-N 1 3 333.484 1.395 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416210143 447539292 /nfs/dbraw/zinc/53/92/92/447539292.db2.gz OMVKUHRKLPCYDT-MJGOQNOKSA-N 1 3 346.519 1.822 20 0 EDADHO COCCOC[C@@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640590 447545801 /nfs/dbraw/zinc/54/58/01/447545801.db2.gz MVNCCQRNQFHQSO-SFHVURJKSA-N 1 3 337.464 1.254 20 0 EDADHO COCCOC[C@@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640590 447545804 /nfs/dbraw/zinc/54/58/04/447545804.db2.gz MVNCCQRNQFHQSO-SFHVURJKSA-N 1 3 337.464 1.254 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000416245974 447548980 /nfs/dbraw/zinc/54/89/80/447548980.db2.gz YYMXCAVBKWPPIO-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000457820273 447640226 /nfs/dbraw/zinc/64/02/26/447640226.db2.gz VFXPUAAOWRYVMQ-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457823492 447641649 /nfs/dbraw/zinc/64/16/49/447641649.db2.gz XRPWQTOGMGEFLZ-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)CC1 ZINC000427466982 447602185 /nfs/dbraw/zinc/60/21/85/447602185.db2.gz YFSGAFIHACJUNZ-GOSISDBHSA-N 1 3 348.535 1.489 20 0 EDADHO O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000457864446 447653080 /nfs/dbraw/zinc/65/30/80/447653080.db2.gz UCZAWAMHTLMFOV-QGZVFWFLSA-N 1 3 338.496 1.007 20 0 EDADHO CN1CCC(CNCc2cn3cccnc3n2)([NH+]2CCCCC2)CC1 ZINC000459423960 447660474 /nfs/dbraw/zinc/66/04/74/447660474.db2.gz PSNFJPYBJGUEKA-UHFFFAOYSA-N 1 3 342.491 1.769 20 0 EDADHO C[NH+]1CCC(CNCc2cn3cccnc3n2)(N2CCCCC2)CC1 ZINC000459423960 447660482 /nfs/dbraw/zinc/66/04/82/447660482.db2.gz PSNFJPYBJGUEKA-UHFFFAOYSA-N 1 3 342.491 1.769 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000422641658 447685555 /nfs/dbraw/zinc/68/55/55/447685555.db2.gz YHVUPUDGCWBUSU-HLLBOEOZSA-N 1 3 346.475 1.708 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000457982893 447690044 /nfs/dbraw/zinc/69/00/44/447690044.db2.gz KRQGPBKMNXELHN-SFHVURJKSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000457982893 447690050 /nfs/dbraw/zinc/69/00/50/447690050.db2.gz KRQGPBKMNXELHN-SFHVURJKSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000422735890 447733420 /nfs/dbraw/zinc/73/34/20/447733420.db2.gz FMTTYTOQMUAGBS-SJLPKXTDSA-N 1 3 335.492 1.526 20 0 EDADHO C[C@]1(C[NH3+])CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000417104616 447735021 /nfs/dbraw/zinc/73/50/21/447735021.db2.gz FLLRJJUYZZIMNW-MRXNPFEDSA-N 1 3 340.537 1.728 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)Cn1ccnn1 ZINC000459695444 447741955 /nfs/dbraw/zinc/74/19/55/447741955.db2.gz KRCCFYNUYTZDGF-WJFTUGDTSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1ccnn1 ZINC000459695444 447741957 /nfs/dbraw/zinc/74/19/57/447741957.db2.gz KRCCFYNUYTZDGF-WJFTUGDTSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cn1ccnn1 ZINC000459695444 447741962 /nfs/dbraw/zinc/74/19/62/447741962.db2.gz KRCCFYNUYTZDGF-WJFTUGDTSA-N 1 3 341.459 1.139 20 0 EDADHO CN(c1ccccc1CN1CCC[C@@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713255 447749856 /nfs/dbraw/zinc/74/98/56/447749856.db2.gz KSSKTEQOFHWZMA-FQEVSTJZSA-N 1 3 347.503 1.536 20 0 EDADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291736 447753122 /nfs/dbraw/zinc/75/31/22/447753122.db2.gz GYMQFFBPBFREPX-KKUMJFAQSA-N 1 3 329.485 1.677 20 0 EDADHO CC[C@@H](NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422827050 447761741 /nfs/dbraw/zinc/76/17/41/447761741.db2.gz MOOYTWCORUZGGI-SJORKVTESA-N 1 3 332.496 1.109 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843041 447766904 /nfs/dbraw/zinc/76/69/04/447766904.db2.gz GUHQENSVZDSCSA-IAGOWNOFSA-N 1 3 345.491 1.227 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843041 447766906 /nfs/dbraw/zinc/76/69/06/447766906.db2.gz GUHQENSVZDSCSA-IAGOWNOFSA-N 1 3 345.491 1.227 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000422864121 447770597 /nfs/dbraw/zinc/77/05/97/447770597.db2.gz TZUUTZFMKDVVJH-LESCRADOSA-N 1 3 341.459 1.897 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000422914198 447771734 /nfs/dbraw/zinc/77/17/34/447771734.db2.gz SCPQZTJACXYQEE-YJBOKZPZSA-N 1 3 332.492 1.456 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430565196 447780877 /nfs/dbraw/zinc/78/08/77/447780877.db2.gz OSTPDHXQSRFOLV-INIZCTEOSA-N 1 3 334.464 1.708 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663975 447843961 /nfs/dbraw/zinc/84/39/61/447843961.db2.gz YBIWNVWURWFVBI-YOEHRIQHSA-N 1 3 329.485 1.536 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663975 447843962 /nfs/dbraw/zinc/84/39/62/447843962.db2.gz YBIWNVWURWFVBI-YOEHRIQHSA-N 1 3 329.485 1.536 20 0 EDADHO CC[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496700892 447851643 /nfs/dbraw/zinc/85/16/43/447851643.db2.gz LPOAOIDSHHIAFP-SOUVJXGZSA-N 1 3 329.485 1.677 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489766478 447872882 /nfs/dbraw/zinc/87/28/82/447872882.db2.gz PSVJAJSOYYFFFT-GVDBMIGSSA-N 1 3 340.512 1.251 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530818998 447964964 /nfs/dbraw/zinc/96/49/64/447964964.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530818998 447964968 /nfs/dbraw/zinc/96/49/68/447964968.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO CC(C)Oc1cccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000530880764 447976371 /nfs/dbraw/zinc/97/63/71/447976371.db2.gz GKVTZWKBSYLBSX-UHFFFAOYSA-N 1 3 335.492 1.968 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000553429269 447993370 /nfs/dbraw/zinc/99/33/70/447993370.db2.gz WDFVBQPWBGZGEW-MRXNPFEDSA-N 1 3 345.487 1.601 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570382553 447998434 /nfs/dbraw/zinc/99/84/34/447998434.db2.gz PAWKPXRSRAXVEA-MAUKXSAKSA-N 1 3 328.460 1.868 20 0 EDADHO O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290984 448021436 /nfs/dbraw/zinc/02/14/36/448021436.db2.gz VXNZUFZRSGRKML-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290984 448021437 /nfs/dbraw/zinc/02/14/37/448021437.db2.gz VXNZUFZRSGRKML-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CC[C@@H](NC[C@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286431 448040787 /nfs/dbraw/zinc/04/07/87/448040787.db2.gz XNOHHBMYRMBVOE-CKEIUWERSA-N 1 3 327.469 1.431 20 0 EDADHO C[C@@H]1CC[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286431 448040792 /nfs/dbraw/zinc/04/07/92/448040792.db2.gz XNOHHBMYRMBVOE-CKEIUWERSA-N 1 3 327.469 1.431 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CCO[C@@H]3C)CC2)CC1 ZINC000576411001 448049091 /nfs/dbraw/zinc/04/90/91/448049091.db2.gz QKVKSPBVCFFWGU-BEFAXECRSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000570863140 448077425 /nfs/dbraw/zinc/07/74/25/448077425.db2.gz WLGSOYPEKPDQEO-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000570863140 448077428 /nfs/dbraw/zinc/07/74/28/448077428.db2.gz WLGSOYPEKPDQEO-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482904 448091570 /nfs/dbraw/zinc/09/15/70/448091570.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482904 448091572 /nfs/dbraw/zinc/09/15/72/448091572.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 1 3 343.471 1.365 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000502754597 448105134 /nfs/dbraw/zinc/10/51/34/448105134.db2.gz BYJDWCXPWNHZOU-QAETUUGQSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CCN(C)CC1 ZINC000576647849 448106163 /nfs/dbraw/zinc/10/61/63/448106163.db2.gz HFNINJUCKZDYSP-PBHICJAKSA-N 1 3 337.533 1.971 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000571433350 448154036 /nfs/dbraw/zinc/15/40/36/448154036.db2.gz YSVWOLBNXPIEHM-MJGOQNOKSA-N 1 3 348.487 1.825 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702125 448193405 /nfs/dbraw/zinc/19/34/05/448193405.db2.gz DCHZZLQMYSTNKH-ROUUACIJSA-N 1 3 330.476 1.697 20 0 EDADHO FC(F)(F)CN1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[n-]2)CC1 ZINC000571908908 448234920 /nfs/dbraw/zinc/23/49/20/448234920.db2.gz KSTWURNMPGSQTO-UHFFFAOYSA-N 1 3 346.401 1.388 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000532602357 448279459 /nfs/dbraw/zinc/27/94/59/448279459.db2.gz JLKANEMBYZEFHA-INIZCTEOSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000532602357 448279464 /nfs/dbraw/zinc/27/94/64/448279464.db2.gz JLKANEMBYZEFHA-INIZCTEOSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000577473922 448304988 /nfs/dbraw/zinc/30/49/88/448304988.db2.gz BNAFETVWRUZMLE-BPQIPLTHSA-N 1 3 346.475 1.500 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000572999101 448519065 /nfs/dbraw/zinc/51/90/65/448519065.db2.gz FEJXIUGKSRDRKH-WNRNVDISSA-N 1 3 329.444 1.096 20 0 EDADHO Cc1cccn2c(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)cnc12 ZINC000567093796 448610699 /nfs/dbraw/zinc/61/06/99/448610699.db2.gz FMRONPXLXYUOFX-AEFFLSMTSA-N 1 3 341.459 1.379 20 0 EDADHO C[N@H+]1CC=C(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000539438910 448612624 /nfs/dbraw/zinc/61/26/24/448612624.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 1 3 328.460 1.672 20 0 EDADHO C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000539438910 448612627 /nfs/dbraw/zinc/61/26/27/448612627.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 1 3 328.460 1.672 20 0 EDADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@H](O)CN3CCCC3)c2cc1C ZINC000566916353 448585562 /nfs/dbraw/zinc/58/55/62/448585562.db2.gz ZWPVNEDVQITMHX-IRXDYDNUSA-N 1 3 346.475 1.060 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1CN(C)C ZINC000573543263 448653363 /nfs/dbraw/zinc/65/33/63/448653363.db2.gz HTDXATPPYCYQEH-HNNXBMFYSA-N 1 3 346.475 1.453 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)ccc1CN(C)C ZINC000573543263 448653370 /nfs/dbraw/zinc/65/33/70/448653370.db2.gz HTDXATPPYCYQEH-HNNXBMFYSA-N 1 3 346.475 1.453 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(=O)[nH]c3)CC2)CC1 ZINC000567289488 448659063 /nfs/dbraw/zinc/65/90/63/448659063.db2.gz LHGQAQXTOUAVSJ-UHFFFAOYSA-N 1 3 332.448 1.922 20 0 EDADHO CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CCN(C)C1 ZINC000592024676 448633612 /nfs/dbraw/zinc/63/36/12/448633612.db2.gz TYZNXGRJRWNCDF-HNNXBMFYSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000567403125 448686391 /nfs/dbraw/zinc/68/63/91/448686391.db2.gz HVMIHVCQWUNQOW-KRWDZBQOSA-N 1 3 344.503 1.392 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000567403125 448686398 /nfs/dbraw/zinc/68/63/98/448686398.db2.gz HVMIHVCQWUNQOW-KRWDZBQOSA-N 1 3 344.503 1.392 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000518537047 448689869 /nfs/dbraw/zinc/68/98/69/448689869.db2.gz SRDPSZYPEBOSDC-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000573805873 448718610 /nfs/dbraw/zinc/71/86/10/448718610.db2.gz SRWVXBQHEVIQGL-SJLPKXTDSA-N 1 3 347.507 1.714 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333253 448769021 /nfs/dbraw/zinc/76/90/21/448769021.db2.gz WHWPMVBHMKZJGV-CVEARBPZSA-N 1 3 338.496 1.258 20 0 EDADHO O=C(CC[NH2+]C[C@H](O)CN1CCCC1)Nc1cc(F)cc(F)c1 ZINC000579353825 448774981 /nfs/dbraw/zinc/77/49/81/448774981.db2.gz KLDOMIBSVBGBHK-HNNXBMFYSA-N 1 3 327.375 1.340 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000579823840 448885262 /nfs/dbraw/zinc/88/52/62/448885262.db2.gz IKBYXDLQBRMZMS-INIZCTEOSA-N 1 3 345.409 1.837 20 0 EDADHO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000568368406 448861172 /nfs/dbraw/zinc/86/11/72/448861172.db2.gz BCUXXAXCLATCGK-HNNXBMFYSA-N 1 3 333.432 1.087 20 0 EDADHO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000568368406 448861177 /nfs/dbraw/zinc/86/11/77/448861177.db2.gz BCUXXAXCLATCGK-HNNXBMFYSA-N 1 3 333.432 1.087 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)NCC(C)(C)N3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000574393050 448862950 /nfs/dbraw/zinc/86/29/50/448862950.db2.gz OAONZCFWRWQYQY-JKSUJKDBSA-N 1 3 348.495 1.121 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000575309244 449073175 /nfs/dbraw/zinc/07/31/75/449073175.db2.gz KPHJGGMMFLQWDG-QGZVFWFLSA-N 1 3 346.475 1.208 20 0 EDADHO CN1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582230394 449042236 /nfs/dbraw/zinc/04/22/36/449042236.db2.gz MGZLCHDYRHTWLG-ROUUACIJSA-N 1 3 345.491 1.108 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)C(=O)OC)CC2)CC1 ZINC000594351166 449462427 /nfs/dbraw/zinc/46/24/27/449462427.db2.gz FLUUXCMLQFSTCI-AWEZNQCLSA-N 1 3 339.480 1.203 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617504765 449651104 /nfs/dbraw/zinc/65/11/04/449651104.db2.gz JQZNBYRVWDXONT-ZDUSSCGKSA-N 1 3 347.463 1.281 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000617504765 449651108 /nfs/dbraw/zinc/65/11/08/449651108.db2.gz JQZNBYRVWDXONT-ZDUSSCGKSA-N 1 3 347.463 1.281 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCC(O)CC1 ZINC000617506902 449657481 /nfs/dbraw/zinc/65/74/81/449657481.db2.gz BWVGYIAZAFKXAW-GTPINHCMSA-N 1 3 341.540 1.952 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCC(O)CC1 ZINC000617506902 449657488 /nfs/dbraw/zinc/65/74/88/449657488.db2.gz BWVGYIAZAFKXAW-GTPINHCMSA-N 1 3 341.540 1.952 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000617504163 449647676 /nfs/dbraw/zinc/64/76/76/449647676.db2.gz INNGZKGKSCHIJX-DAYGRLMNSA-N 1 3 349.475 1.603 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC000617504163 449647679 /nfs/dbraw/zinc/64/76/79/449647679.db2.gz INNGZKGKSCHIJX-DAYGRLMNSA-N 1 3 349.475 1.603 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(CCO)CC2)CC1 ZINC000601297331 449807612 /nfs/dbraw/zinc/80/76/12/449807612.db2.gz LIRWLXYRHHTTHB-UHFFFAOYSA-N 1 3 326.485 1.007 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000617752727 449816502 /nfs/dbraw/zinc/81/65/02/449816502.db2.gz SYNVOCRAJPADPR-INIZCTEOSA-N 1 3 332.492 1.899 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000617767269 449831247 /nfs/dbraw/zinc/83/12/47/449831247.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 1 3 346.519 1.651 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000608709078 449917017 /nfs/dbraw/zinc/91/70/17/449917017.db2.gz KKUVOFSVFIEFMJ-SJORKVTESA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@]1(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000612879966 449924197 /nfs/dbraw/zinc/92/41/97/449924197.db2.gz HIOLFCIAESXNPO-LJQANCHMSA-N 1 3 346.475 1.712 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980528 449969192 /nfs/dbraw/zinc/96/91/92/449969192.db2.gz SKQNXWLAWXXMAH-QGZVFWFLSA-N 1 3 343.475 1.739 20 0 EDADHO CC(C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)S(C)(=O)=O ZINC000615440873 450098206 /nfs/dbraw/zinc/09/82/06/450098206.db2.gz PHEXNTPLQZTODP-ZDUSSCGKSA-N 1 3 330.494 1.533 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000613660326 450263272 /nfs/dbraw/zinc/26/32/72/450263272.db2.gz IEGJWIVGLATONG-LMMKCTJWSA-N 1 3 331.460 1.222 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000613660328 450263617 /nfs/dbraw/zinc/26/36/17/450263617.db2.gz IEGJWIVGLATONG-ZHALLVOQSA-N 1 3 331.460 1.222 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC000616781502 450483424 /nfs/dbraw/zinc/48/34/24/450483424.db2.gz MTANZERPULUVLF-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000616781502 450483427 /nfs/dbraw/zinc/48/34/27/450483427.db2.gz MTANZERPULUVLF-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000620478873 450498370 /nfs/dbraw/zinc/49/83/70/450498370.db2.gz JISYPHKMMWZYKD-RBUKOAKNSA-N 1 3 345.487 1.737 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000620478873 450498373 /nfs/dbraw/zinc/49/83/73/450498373.db2.gz JISYPHKMMWZYKD-RBUKOAKNSA-N 1 3 345.487 1.737 20 0 EDADHO C[N@@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415813 450519075 /nfs/dbraw/zinc/51/90/75/450519075.db2.gz YJNSQRBQRQFRSF-CABCVRRESA-N 1 3 330.476 1.827 20 0 EDADHO C[N@H+]1CC[C@@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415813 450519077 /nfs/dbraw/zinc/51/90/77/450519077.db2.gz YJNSQRBQRQFRSF-CABCVRRESA-N 1 3 330.476 1.827 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623572070 450545289 /nfs/dbraw/zinc/54/52/89/450545289.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623572070 450545292 /nfs/dbraw/zinc/54/52/92/450545292.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000625976036 450546908 /nfs/dbraw/zinc/54/69/08/450546908.db2.gz LTYFWNSQXRIYPR-IHRRBPCASA-N 1 3 333.476 1.807 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@]2(CO)COCC3(CCC3)N2C)CC1(C)C ZINC000623617071 450552214 /nfs/dbraw/zinc/55/22/14/450552214.db2.gz WGXADQFPHBYBSP-YJBOKZPZSA-N 1 3 325.497 1.065 20 0 EDADHO CNS(=O)(=O)CC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000621278398 450652373 /nfs/dbraw/zinc/65/23/73/450652373.db2.gz NBSQHTISWJBGHF-QLPKVWCKSA-N 1 3 339.505 1.282 20 0 EDADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114956 450710865 /nfs/dbraw/zinc/71/08/65/450710865.db2.gz KOJYKKSDQDWUBA-OAHLLOKOSA-N 1 3 343.479 1.556 20 0 EDADHO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000624357150 450806966 /nfs/dbraw/zinc/80/69/66/450806966.db2.gz HKXADMBZDCZOFT-SFHVURJKSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@H]1CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000624357150 450806974 /nfs/dbraw/zinc/80/69/74/450806974.db2.gz HKXADMBZDCZOFT-SFHVURJKSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621642527 450807734 /nfs/dbraw/zinc/80/77/34/450807734.db2.gz POTTVZTZDYDQAG-BRWVUGGUSA-N 1 3 325.497 1.772 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000631830097 450802082 /nfs/dbraw/zinc/80/20/82/450802082.db2.gz JLKNJBBLCKLXAR-HZPDHXFCSA-N 1 3 333.480 1.568 20 0 EDADHO COCC[NH+](CCOC)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629991852 450939007 /nfs/dbraw/zinc/93/90/07/450939007.db2.gz IWNMYZOPKNYCKC-UHFFFAOYSA-N 1 3 341.496 1.057 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000626864067 450967488 /nfs/dbraw/zinc/96/74/88/450967488.db2.gz VHUAUHJNJWEAFX-JKSUJKDBSA-N 1 3 332.448 1.252 20 0 EDADHO CC[C@@H](CNC(=O)NCCOCC[NH2+]C)N1CCc2ccccc2C1 ZINC000626934631 451017627 /nfs/dbraw/zinc/01/76/27/451017627.db2.gz KLLDCSMEKIZLGJ-SFHVURJKSA-N 1 3 348.491 1.359 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999404 451064334 /nfs/dbraw/zinc/06/43/34/451064334.db2.gz ZCTCOKJEFNWVLX-OXHZDVMGSA-N 1 3 348.413 1.638 20 0 EDADHO C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000627034156 451092664 /nfs/dbraw/zinc/09/26/64/451092664.db2.gz YZTFRYVOJZTOAH-HOCLYGCPSA-N 1 3 334.464 1.485 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccco1 ZINC000627035546 451094432 /nfs/dbraw/zinc/09/44/32/451094432.db2.gz VFERIWOBXPKIGP-KBPBESRZSA-N 1 3 338.452 1.516 20 0 EDADHO [NH3+]CC1(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000626978430 451047639 /nfs/dbraw/zinc/04/76/39/451047639.db2.gz CUWPFWSFEQHZIX-KRWDZBQOSA-N 1 3 346.475 1.458 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638101020 451266838 /nfs/dbraw/zinc/26/68/38/451266838.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 1 3 332.492 1.436 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638101020 451266844 /nfs/dbraw/zinc/26/68/44/451266844.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 1 3 332.492 1.436 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nsc2ccccc21 ZINC000640338259 451270212 /nfs/dbraw/zinc/27/02/12/451270212.db2.gz AGSBAGCXSJAMKA-UHFFFAOYSA-N 1 3 335.477 2.253 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124304 451293864 /nfs/dbraw/zinc/29/38/64/451293864.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 1 3 332.492 1.387 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124304 451293869 /nfs/dbraw/zinc/29/38/69/451293869.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 1 3 332.492 1.387 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638131948 451304389 /nfs/dbraw/zinc/30/43/89/451304389.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 1 3 332.492 1.246 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638131948 451304393 /nfs/dbraw/zinc/30/43/93/451304393.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 1 3 332.492 1.246 20 0 EDADHO CC[NH2+][C@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000638137581 451310160 /nfs/dbraw/zinc/31/01/60/451310160.db2.gz LVDNVWLXWPDLAS-QGZVFWFLSA-N 1 3 332.492 1.703 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000638137580 451311089 /nfs/dbraw/zinc/31/10/89/451311089.db2.gz LVDNVWLXWPDLAS-KRWDZBQOSA-N 1 3 332.492 1.703 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142491 451317127 /nfs/dbraw/zinc/31/71/27/451317127.db2.gz CHWNXTOEOIRNRK-GBESFXJTSA-N 1 3 344.503 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246228 451378750 /nfs/dbraw/zinc/37/87/50/451378750.db2.gz CDCXBUJQSQULQS-KRWDZBQOSA-N 1 3 330.476 1.048 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269513 451388582 /nfs/dbraw/zinc/38/85/82/451388582.db2.gz PUVWHQXHFANQGI-OCCSQVGLSA-N 1 3 345.447 1.161 20 0 EDADHO O[C@@]1(C[NH2+]C[C@H]2CCN(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000634700876 451475103 /nfs/dbraw/zinc/47/51/03/451475103.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 1 3 329.488 1.697 20 0 EDADHO Cc1cnc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634715342 451495140 /nfs/dbraw/zinc/49/51/40/451495140.db2.gz BERGFUWQZAMOGT-LJQANCHMSA-N 1 3 326.444 1.554 20 0 EDADHO Cc1cnc(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634715342 451495145 /nfs/dbraw/zinc/49/51/45/451495145.db2.gz BERGFUWQZAMOGT-LJQANCHMSA-N 1 3 326.444 1.554 20 0 EDADHO Cc1c(CN)c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000638401363 451489508 /nfs/dbraw/zinc/48/95/08/451489508.db2.gz CFSVVQLWTXJACS-OAHLLOKOSA-N 1 3 327.432 1.648 20 0 EDADHO Cc1c(CN)c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000638401363 451489515 /nfs/dbraw/zinc/48/95/15/451489515.db2.gz CFSVVQLWTXJACS-OAHLLOKOSA-N 1 3 327.432 1.648 20 0 EDADHO N[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC000638431713 451510974 /nfs/dbraw/zinc/51/09/74/451510974.db2.gz TXMHJIJCMKCQPA-IAGOWNOFSA-N 1 3 348.466 1.268 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000638526748 451558614 /nfs/dbraw/zinc/55/86/14/451558614.db2.gz PANSLIUAYGMVOV-XJKSGUPXSA-N 1 3 334.464 1.536 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000638527771 451559768 /nfs/dbraw/zinc/55/97/68/451559768.db2.gz YBUCKTUZRSQIER-LPHOPBHVSA-N 1 3 346.475 1.824 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)CC1 ZINC000629128831 451560802 /nfs/dbraw/zinc/56/08/02/451560802.db2.gz VYQVBNMEEWZCIE-MJGOQNOKSA-N 1 3 349.519 1.866 20 0 EDADHO COc1ccccc1N1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000631078584 451570890 /nfs/dbraw/zinc/57/08/90/451570890.db2.gz VBWIJAQMXNCBEG-UHFFFAOYSA-N 1 3 333.476 1.710 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4nccnc4c3)C2)CC1 ZINC000634960909 451624897 /nfs/dbraw/zinc/62/48/97/451624897.db2.gz FYUHLXOXMZGGEQ-MRXNPFEDSA-N 1 3 325.460 1.888 20 0 EDADHO N[C@@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782778 451689554 /nfs/dbraw/zinc/68/95/54/451689554.db2.gz BMDOWCXINCIEMQ-MSOLQXFVSA-N 1 3 331.460 1.694 20 0 EDADHO CC(C)(C[NH2+]CC1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000638836754 451706043 /nfs/dbraw/zinc/70/60/43/451706043.db2.gz JUNSCUOEOCZMDW-UHFFFAOYSA-N 1 3 332.492 1.998 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000632961216 451670041 /nfs/dbraw/zinc/67/00/41/451670041.db2.gz PJHSMBZYEJPUKX-CQSZACIVSA-N 1 3 334.468 1.885 20 0 EDADHO C[C@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@H]1C[NH3+] ZINC000632960965 451670680 /nfs/dbraw/zinc/67/06/80/451670680.db2.gz LQWRXYICZBLXTL-UONOGXRCSA-N 1 3 334.468 1.598 20 0 EDADHO CCC[C@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230746 451791987 /nfs/dbraw/zinc/79/19/87/451791987.db2.gz STQODXUCQSCKCN-WMZOPIPTSA-N 1 3 329.448 1.715 20 0 EDADHO CCC[C@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230746 451791988 /nfs/dbraw/zinc/79/19/88/451791988.db2.gz STQODXUCQSCKCN-WMZOPIPTSA-N 1 3 329.448 1.715 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637372221 451803750 /nfs/dbraw/zinc/80/37/50/451803750.db2.gz JUSJZMWLZLGBCY-WBVHZDCISA-N 1 3 326.485 1.005 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3cccnc3)C2)CC1 ZINC000644562019 451862988 /nfs/dbraw/zinc/86/29/88/451862988.db2.gz OHRHYWGGUADWHB-MRXNPFEDSA-N 1 3 331.464 1.168 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)CN2CCOCC2)CC1 ZINC000644569919 451867645 /nfs/dbraw/zinc/86/76/45/451867645.db2.gz OOZNOHUXUCONBV-XLIONFOSSA-N 1 3 347.503 1.495 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000642439984 451879403 /nfs/dbraw/zinc/87/94/03/451879403.db2.gz UOEBRCCEWYDDLJ-HOTGVXAUSA-N 1 3 338.496 1.001 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000646845244 451883402 /nfs/dbraw/zinc/88/34/02/451883402.db2.gz HLXLSAVBMFOTMB-MAUKXSAKSA-N 1 3 346.475 1.017 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653389690 451900802 /nfs/dbraw/zinc/90/08/02/451900802.db2.gz IKCBVWOWYFUTMA-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653389690 451900806 /nfs/dbraw/zinc/90/08/06/451900806.db2.gz IKCBVWOWYFUTMA-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000649281965 451954224 /nfs/dbraw/zinc/95/42/24/451954224.db2.gz YWEGRBZGDSEWDO-CYBMUJFWSA-N 1 3 341.406 1.723 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649287572 451961461 /nfs/dbraw/zinc/96/14/61/451961461.db2.gz QTFBEJSPPUUKNB-UHFFFAOYSA-N 1 3 331.460 1.408 20 0 EDADHO CN1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000649310919 451987460 /nfs/dbraw/zinc/98/74/60/451987460.db2.gz NSKQCSSASGEGAW-HXUWFJFHSA-N 1 3 344.503 1.712 20 0 EDADHO COC[C@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000649321746 451999360 /nfs/dbraw/zinc/99/93/60/451999360.db2.gz ORJILUPTNIGDCJ-IBGZPJMESA-N 1 3 349.475 1.054 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c(C)c2)CC1 ZINC000649348893 452031782 /nfs/dbraw/zinc/03/17/82/452031782.db2.gz CUNMEFZOVLLLIR-VQFNDLOPSA-N 1 3 328.460 1.541 20 0 EDADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000647056314 452033378 /nfs/dbraw/zinc/03/33/78/452033378.db2.gz ZVHUKGNVJKAEJZ-IRXDYDNUSA-N 1 3 328.460 1.552 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000637867864 452125002 /nfs/dbraw/zinc/12/50/02/452125002.db2.gz XCRWFADKIORXBO-MRXNPFEDSA-N 1 3 326.485 1.304 20 0 EDADHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000641623177 452142998 /nfs/dbraw/zinc/14/29/98/452142998.db2.gz GANWIQPRIZYHJW-DLBZAZTESA-N 1 3 345.553 1.854 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCN(c2ccncc2)CC1 ZINC000645222318 452219098 /nfs/dbraw/zinc/21/90/98/452219098.db2.gz XBPHWYKRSFNWHC-QGZVFWFLSA-N 1 3 340.431 1.165 20 0 EDADHO Cc1ncc([C@@H](C)N2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000637982038 452227467 /nfs/dbraw/zinc/22/74/67/452227467.db2.gz OUWDNWNCUFWQFF-CQSZACIVSA-N 1 3 333.480 1.544 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451765 452246807 /nfs/dbraw/zinc/24/68/07/452246807.db2.gz WEOYZSBSERQORR-VCBZYWHSSA-N 1 3 329.444 1.732 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643490297 452259154 /nfs/dbraw/zinc/25/91/54/452259154.db2.gz PDAODKOCONSTIJ-UHFFFAOYSA-N 1 3 340.512 1.153 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2ccc(C(=O)NC3CC3)cc2)CC12CCOCC2 ZINC000647545215 452275248 /nfs/dbraw/zinc/27/52/48/452275248.db2.gz TURJCURIWTUPRQ-KRWDZBQOSA-N 1 3 343.471 1.766 20 0 EDADHO COc1cccc([C@H](CNC(=O)CCC2C[NH2+]C2)N2CCCC2)c1 ZINC000638051644 452322714 /nfs/dbraw/zinc/32/27/14/452322714.db2.gz NMVPKQKRBLCCJN-SFHVURJKSA-N 1 3 331.460 1.948 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000663601065 452327683 /nfs/dbraw/zinc/32/76/83/452327683.db2.gz XEGPTLZZBCHTDZ-ROUUACIJSA-N 1 3 348.491 1.345 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000665760733 452331049 /nfs/dbraw/zinc/33/10/49/452331049.db2.gz ODEMAXBKARMPAH-ZVZYQTTQSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]1(C)CCO[C@H]1C1CC1 ZINC000665760733 452331058 /nfs/dbraw/zinc/33/10/58/452331058.db2.gz ODEMAXBKARMPAH-ZVZYQTTQSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(CC(C)(C)O)C1CC1 ZINC000665761368 452334501 /nfs/dbraw/zinc/33/45/01/452334501.db2.gz ATHRZZKRWRWWOS-AWEZNQCLSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(CC(C)(C)O)C1CC1 ZINC000665761368 452334514 /nfs/dbraw/zinc/33/45/14/452334514.db2.gz ATHRZZKRWRWWOS-AWEZNQCLSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000665760930 452334817 /nfs/dbraw/zinc/33/48/17/452334817.db2.gz SMBWVVJLKQDPRE-YESZJQIVSA-N 1 3 340.512 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000665760930 452334824 /nfs/dbraw/zinc/33/48/24/452334824.db2.gz SMBWVVJLKQDPRE-YESZJQIVSA-N 1 3 340.512 1.326 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659478264 452336992 /nfs/dbraw/zinc/33/69/92/452336992.db2.gz CDCUQTCHHAUIQC-MRXNPFEDSA-N 1 3 334.464 1.132 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1=CCSC1 ZINC000665765006 452352315 /nfs/dbraw/zinc/35/23/15/452352315.db2.gz XKFCPTJXWRNOJN-AWEZNQCLSA-N 1 3 328.526 1.573 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1=CCSC1 ZINC000665765006 452352320 /nfs/dbraw/zinc/35/23/20/452352320.db2.gz XKFCPTJXWRNOJN-AWEZNQCLSA-N 1 3 328.526 1.573 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359498 /nfs/dbraw/zinc/35/94/98/452359498.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 1 3 329.488 1.970 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359507 /nfs/dbraw/zinc/35/95/07/452359507.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 1 3 329.488 1.970 20 0 EDADHO CC[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)N1CCc2ccccc2C1 ZINC000638069595 452374083 /nfs/dbraw/zinc/37/40/83/452374083.db2.gz RBSJDHCVKGGYCD-AZUAARDMSA-N 1 3 345.487 1.695 20 0 EDADHO CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638080236 452396061 /nfs/dbraw/zinc/39/60/61/452396061.db2.gz SXRQMYWTJPIACC-HKUYNNGSSA-N 1 3 344.503 1.576 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535746 452396195 /nfs/dbraw/zinc/39/61/95/452396195.db2.gz KSDYEDBIFSGZBM-GOSISDBHSA-N 1 3 345.491 1.735 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663665607 452405004 /nfs/dbraw/zinc/40/50/04/452405004.db2.gz IYGHERLLUSCZJK-DOTOQJQBSA-N 1 3 348.491 1.561 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000663665607 452405015 /nfs/dbraw/zinc/40/50/15/452405015.db2.gz IYGHERLLUSCZJK-DOTOQJQBSA-N 1 3 348.491 1.561 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640096658 452420626 /nfs/dbraw/zinc/42/06/26/452420626.db2.gz WORHTMBXENBWHG-KURKYZTESA-N 1 3 337.508 1.601 20 0 EDADHO C[C@H](CCNC(=O)NCC1(N2CCSCC2)CCCC1)[NH+](C)C ZINC000663699449 452438036 /nfs/dbraw/zinc/43/80/36/452438036.db2.gz MMRMWAWTINXGET-OAHLLOKOSA-N 1 3 342.553 1.987 20 0 EDADHO O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCN2CCC1CC2 ZINC000659583946 452439979 /nfs/dbraw/zinc/43/99/79/452439979.db2.gz SUSCNXDBWNVBME-ROUUACIJSA-N 1 3 346.450 1.761 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CCN(C2CC2)C1 ZINC000652269983 452459430 /nfs/dbraw/zinc/45/94/30/452459430.db2.gz PPCJFNYBOMQYRW-CYBMUJFWSA-N 1 3 334.439 1.910 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000659612168 452469051 /nfs/dbraw/zinc/46/90/51/452469051.db2.gz UGTCYTPYFSCFDW-AGYKMIKPSA-N 1 3 340.471 1.654 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313855 452488492 /nfs/dbraw/zinc/48/84/92/452488492.db2.gz LHEPVDTYQIWGIS-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657752847 452501611 /nfs/dbraw/zinc/50/16/11/452501611.db2.gz SOLGEHHKALEVED-LJQANCHMSA-N 1 3 341.459 1.919 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752847 452501619 /nfs/dbraw/zinc/50/16/19/452501619.db2.gz SOLGEHHKALEVED-LJQANCHMSA-N 1 3 341.459 1.919 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346919 452521774 /nfs/dbraw/zinc/52/17/74/452521774.db2.gz LJRYJSLRHVRYKW-MPTYRVRUSA-N 1 3 325.497 1.898 20 0 EDADHO C[C@]1(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000647789822 452521808 /nfs/dbraw/zinc/52/18/08/452521808.db2.gz MDEFCMUTWTXDHT-QHHYFVSCSA-N 1 3 342.443 1.219 20 0 EDADHO CC(C)([NH3+])CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000645593206 452574447 /nfs/dbraw/zinc/57/44/47/452574447.db2.gz SHLXONREMCNYCI-UHFFFAOYSA-N 1 3 346.519 1.828 20 0 EDADHO CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CCN(CC)C1 ZINC000663938027 452659630 /nfs/dbraw/zinc/65/96/30/452659630.db2.gz VTRPCVCFOUIMOI-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917286 452680020 /nfs/dbraw/zinc/68/00/20/452680020.db2.gz OSYYMTALERHULA-LLVKDONJSA-N 1 3 340.390 1.065 20 0 EDADHO C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000655924833 452691990 /nfs/dbraw/zinc/69/19/90/452691990.db2.gz RBLBEMVTWZNYLH-UHTWSYAYSA-N 1 3 332.370 1.867 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)n2)CC1 ZINC000655927918 452696386 /nfs/dbraw/zinc/69/63/86/452696386.db2.gz KRXBBOMIDBOGSD-JTQLQIEISA-N 1 3 334.346 1.161 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000647960758 452705501 /nfs/dbraw/zinc/70/55/01/452705501.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 1 3 327.513 1.704 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)CN(C)C(C)C)C1 ZINC000647960758 452705508 /nfs/dbraw/zinc/70/55/08/452705508.db2.gz HITIOWHUCSBSTM-BRWVUGGUSA-N 1 3 327.513 1.704 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000666238975 452707917 /nfs/dbraw/zinc/70/79/17/452707917.db2.gz LPRAFIMALYSMCO-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000661954668 452715391 /nfs/dbraw/zinc/71/53/91/452715391.db2.gz YIAKRQFIHQNGPB-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC2CCN(CCOC(C)C)CC2)C1 ZINC000661954668 452715394 /nfs/dbraw/zinc/71/53/94/452715394.db2.gz YIAKRQFIHQNGPB-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000647993725 452735690 /nfs/dbraw/zinc/73/56/90/452735690.db2.gz MEHCEYHPPPNHIX-ROUUACIJSA-N 1 3 348.491 1.345 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)CC(C)C ZINC000647994347 452736146 /nfs/dbraw/zinc/73/61/46/452736146.db2.gz ZJLWFZUOEBQFMH-JYJNAYRXSA-N 1 3 328.501 1.059 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655958755 452738815 /nfs/dbraw/zinc/73/88/15/452738815.db2.gz OPFWBZFGXITVKT-HOTGVXAUSA-N 1 3 330.432 1.217 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652686548 452835691 /nfs/dbraw/zinc/83/56/91/452835691.db2.gz JPJMPPMJKAZWTG-QGZVFWFLSA-N 1 3 346.475 1.013 20 0 EDADHO COC1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC[NH2+]CC1 ZINC000648165578 452875421 /nfs/dbraw/zinc/87/54/21/452875421.db2.gz OULSJCPLOYKUCC-OAHLLOKOSA-N 1 3 346.475 1.492 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)COC2(C)CNC2)C[N@@H+]1Cc1ccccc1 ZINC000648168006 452877335 /nfs/dbraw/zinc/87/73/35/452877335.db2.gz MVEOJCJONPWTIW-FUHWJXTLSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)COC2(C)CNC2)C[N@H+]1Cc1ccccc1 ZINC000648168006 452877336 /nfs/dbraw/zinc/87/73/36/452877336.db2.gz MVEOJCJONPWTIW-FUHWJXTLSA-N 1 3 345.487 1.782 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000656127000 452881768 /nfs/dbraw/zinc/88/17/68/452881768.db2.gz HBVGPSSHIOCQRP-DDTOSNHZSA-N 1 3 340.265 1.905 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000656197421 452955830 /nfs/dbraw/zinc/95/58/30/452955830.db2.gz INQRJRRNTHTZQD-ILXRZTDVSA-N 1 3 333.432 1.171 20 0 EDADHO CN(C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1)S(C)(=O)=O ZINC000662252635 452980619 /nfs/dbraw/zinc/98/06/19/452980619.db2.gz CKPLSOZBUBTJCM-UHFFFAOYSA-N 1 3 337.489 1.188 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003212 /nfs/dbraw/zinc/00/32/12/453003212.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 1 3 331.504 1.895 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003217 /nfs/dbraw/zinc/00/32/17/453003217.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 1 3 331.504 1.895 20 0 EDADHO CO[C@H](CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280620 453005198 /nfs/dbraw/zinc/00/51/98/453005198.db2.gz GGXZAEUBZSOIRH-GVDBMIGSSA-N 1 3 336.480 1.022 20 0 EDADHO O=c1n2ccccc2nn1CCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291215 453015119 /nfs/dbraw/zinc/01/51/19/453015119.db2.gz DMZZDVTUHQZUNR-INIZCTEOSA-N 1 3 329.448 1.208 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294675 453016473 /nfs/dbraw/zinc/01/64/73/453016473.db2.gz RROPCYGAZZJICQ-FUHWJXTLSA-N 1 3 336.524 1.251 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCCC[C@H]1C ZINC000666627445 453019426 /nfs/dbraw/zinc/01/94/26/453019426.db2.gz RSWQFGLOFKHJNB-ZIAGYGMSSA-N 1 3 332.448 1.463 20 0 EDADHO [NH3+][C@H]1CCc2ccccc2N(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000662303998 453025503 /nfs/dbraw/zinc/02/55/03/453025503.db2.gz ZQZMEWAOKWWFGM-INIZCTEOSA-N 1 3 342.487 1.510 20 0 EDADHO CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664361820 453032551 /nfs/dbraw/zinc/03/25/51/453032551.db2.gz KQJQRYKVNXQBHQ-RRFJBIMHSA-N 1 3 328.501 1.371 20 0 EDADHO CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664361820 453032561 /nfs/dbraw/zinc/03/25/61/453032561.db2.gz KQJQRYKVNXQBHQ-RRFJBIMHSA-N 1 3 328.501 1.371 20 0 EDADHO CN(CCN(C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139421 453069976 /nfs/dbraw/zinc/06/99/76/453069976.db2.gz VHOJHENOQOXKEB-CGTJXYLNSA-N 1 3 336.524 1.392 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662429473 453137048 /nfs/dbraw/zinc/13/70/48/453137048.db2.gz LTFXKKHXOCOBNI-MRXNPFEDSA-N 1 3 348.495 1.587 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1CN(C2CCCCC2)C1 ZINC000655027929 453151524 /nfs/dbraw/zinc/15/15/24/453151524.db2.gz GZIRMCKZIHCNHF-GUDVDZBRSA-N 1 3 349.519 1.961 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2c1CNC2 ZINC000662466251 453177015 /nfs/dbraw/zinc/17/70/15/453177015.db2.gz DRTXTLIQCIAXJR-AWEZNQCLSA-N 1 3 329.444 1.521 20 0 EDADHO CO[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664583776 453219707 /nfs/dbraw/zinc/21/97/07/453219707.db2.gz GCLVADHPVKZORM-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO CO[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664583776 453219713 /nfs/dbraw/zinc/21/97/13/453219713.db2.gz GCLVADHPVKZORM-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2c(s1)CCNC2 ZINC000662528996 453251328 /nfs/dbraw/zinc/25/13/28/453251328.db2.gz KZMQSERWJQHZSS-UHFFFAOYSA-N 1 3 344.484 1.993 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925352 453251729 /nfs/dbraw/zinc/25/17/29/453251729.db2.gz WUJARBACPFNQNO-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646262350 453268185 /nfs/dbraw/zinc/26/81/85/453268185.db2.gz JCDQADKNYIKPIL-PBHICJAKSA-N 1 3 332.448 1.102 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666974482 453292545 /nfs/dbraw/zinc/29/25/45/453292545.db2.gz RGUBUASVCYCPFS-OIISXLGYSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666974482 453292552 /nfs/dbraw/zinc/29/25/52/453292552.db2.gz RGUBUASVCYCPFS-OIISXLGYSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1Cc1ccccc1 ZINC000653122338 453313246 /nfs/dbraw/zinc/31/32/46/453313246.db2.gz UFWUDDOHOLGGGD-RMRDIRSESA-N 1 3 329.444 1.002 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151708 453340817 /nfs/dbraw/zinc/34/08/17/453340817.db2.gz POHGKWZVPJONDH-FUHWJXTLSA-N 1 3 332.492 1.388 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662636999 453350995 /nfs/dbraw/zinc/35/09/95/453350995.db2.gz GECCWIXVMKKWFB-INIZCTEOSA-N 1 3 330.476 1.800 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662638528 453353190 /nfs/dbraw/zinc/35/31/90/453353190.db2.gz SDMHJAGBFMZUIG-SFHVURJKSA-N 1 3 342.487 1.800 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@H]3C)cc2)CC1 ZINC000646475991 453423785 /nfs/dbraw/zinc/42/37/85/453423785.db2.gz MORYJCUOGDAMMT-APWZRJJASA-N 1 3 344.503 1.993 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000667156367 453445715 /nfs/dbraw/zinc/44/57/15/453445715.db2.gz JGJPWFZJISTTOQ-HZPDHXFCSA-N 1 3 348.495 1.688 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662733459 453458743 /nfs/dbraw/zinc/45/87/43/453458743.db2.gz KMHXTEFNOBBNCC-HUUCEWRRSA-N 1 3 334.468 1.197 20 0 EDADHO CCCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000649000278 453467949 /nfs/dbraw/zinc/46/79/49/453467949.db2.gz SLSAOTNXJAKIQG-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CCCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000649000278 453467955 /nfs/dbraw/zinc/46/79/55/453467955.db2.gz SLSAOTNXJAKIQG-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)c2cc(C(C)(C)N)no2)c2ccccc2O1 ZINC000662752995 453488680 /nfs/dbraw/zinc/48/86/80/453488680.db2.gz WGNADCJAEMJBTD-LBPRGKRZSA-N 1 3 344.415 1.838 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662756036 453491436 /nfs/dbraw/zinc/49/14/36/453491436.db2.gz HAEMRKUCNWYKTA-QAPCUYQASA-N 1 3 330.476 1.363 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cc[nH]c(=O)c1 ZINC000664963059 453519891 /nfs/dbraw/zinc/51/98/91/453519891.db2.gz VCDSOZFAGRWCAN-UONOGXRCSA-N 1 3 337.468 1.419 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cc[nH]c(=O)c1 ZINC000664963059 453519896 /nfs/dbraw/zinc/51/98/96/453519896.db2.gz VCDSOZFAGRWCAN-UONOGXRCSA-N 1 3 337.468 1.419 20 0 EDADHO CN(C(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900440 453593088 /nfs/dbraw/zinc/59/30/88/453593088.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 1 3 344.503 1.183 20 0 EDADHO CN(C(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900440 453593091 /nfs/dbraw/zinc/59/30/91/453593091.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 1 3 344.503 1.183 20 0 EDADHO CN(C(=O)[C@@H](N)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900440 453593095 /nfs/dbraw/zinc/59/30/95/453593095.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 1 3 344.503 1.183 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COCc2ccccc21 ZINC000665160282 453596879 /nfs/dbraw/zinc/59/68/79/453596879.db2.gz HDHOWEASWUZLDP-YJBOKZPZSA-N 1 3 348.491 1.829 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COCc2ccccc21 ZINC000665160282 453596881 /nfs/dbraw/zinc/59/68/81/453596881.db2.gz HDHOWEASWUZLDP-YJBOKZPZSA-N 1 3 348.491 1.829 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660837365 453598563 /nfs/dbraw/zinc/59/85/63/453598563.db2.gz KRIWDUSGKPOUKD-OAHLLOKOSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660837365 453598565 /nfs/dbraw/zinc/59/85/65/453598565.db2.gz KRIWDUSGKPOUKD-OAHLLOKOSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCc2n[nH]cc2C1 ZINC000663214916 453728116 /nfs/dbraw/zinc/72/81/16/453728116.db2.gz MIOWETNPPBAHCM-AWEZNQCLSA-N 1 3 336.484 1.140 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCc2n[nH]cc2C1 ZINC000663214916 453728118 /nfs/dbraw/zinc/72/81/18/453728118.db2.gz MIOWETNPPBAHCM-AWEZNQCLSA-N 1 3 336.484 1.140 20 0 EDADHO Nc1ccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663511471 453812860 /nfs/dbraw/zinc/81/28/60/453812860.db2.gz KAUISGCHWHYLMX-OAHLLOKOSA-N 1 3 341.463 1.176 20 0 EDADHO CC(C)(C)[NH2+]CCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512873 453813542 /nfs/dbraw/zinc/81/35/42/453813542.db2.gz PDLUSEYNJQRHOC-HNNXBMFYSA-N 1 3 334.512 1.387 20 0 EDADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390064 486703961 /nfs/dbraw/zinc/70/39/61/486703961.db2.gz SEHJEGRKYCLZNL-GOSISDBHSA-N 1 3 343.475 1.930 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534956 486800140 /nfs/dbraw/zinc/80/01/40/486800140.db2.gz AYPDANCVLGFSHD-UONOGXRCSA-N 1 3 326.485 1.445 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769163 486815645 /nfs/dbraw/zinc/81/56/45/486815645.db2.gz QDQIWASLQMIGLM-SFHVURJKSA-N 1 3 326.444 1.912 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116507 486950088 /nfs/dbraw/zinc/95/00/88/486950088.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116507 486950091 /nfs/dbraw/zinc/95/00/91/486950091.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 1 3 326.485 1.127 20 0 EDADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219125 486977253 /nfs/dbraw/zinc/97/72/53/486977253.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 1 3 349.523 1.033 20 0 EDADHO CN(C(=O)N[C@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219125 486977256 /nfs/dbraw/zinc/97/72/56/486977256.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 1 3 349.523 1.033 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000667812839 486978174 /nfs/dbraw/zinc/97/81/74/486978174.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 1 3 347.507 1.398 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000667812839 486978176 /nfs/dbraw/zinc/97/81/76/486978176.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 1 3 347.507 1.398 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000681765099 487161868 /nfs/dbraw/zinc/16/18/68/487161868.db2.gz WPNUTSYRFOLMTJ-HXUWFJFHSA-N 1 3 347.503 1.814 20 0 EDADHO Cc1ccccc1CN1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685560877 487296557 /nfs/dbraw/zinc/29/65/57/487296557.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 1 3 331.504 1.958 20 0 EDADHO Cc1ccccc1CN1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685560877 487296561 /nfs/dbraw/zinc/29/65/61/487296561.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 1 3 331.504 1.958 20 0 EDADHO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OCCN(C)C)cc1 ZINC000682501389 487376918 /nfs/dbraw/zinc/37/69/18/487376918.db2.gz UBYINMWUFNSOFH-AWEZNQCLSA-N 1 3 340.489 1.712 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669513888 485479002 /nfs/dbraw/zinc/47/90/02/485479002.db2.gz MWGFCAOVYNKNFK-HNNXBMFYSA-N 1 3 326.485 1.317 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCO1 ZINC000669528896 485503528 /nfs/dbraw/zinc/50/35/28/485503528.db2.gz PUXQFOCXUSZJPO-ATLSCFEFSA-N 1 3 346.475 1.407 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC[C@@H]21 ZINC000261607859 485959419 /nfs/dbraw/zinc/95/94/19/485959419.db2.gz CZZGCONZUCXYPE-RUEZSYAVSA-N 1 3 335.492 1.462 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC[C@@H]21 ZINC000261607859 485959424 /nfs/dbraw/zinc/95/94/24/485959424.db2.gz CZZGCONZUCXYPE-RUEZSYAVSA-N 1 3 335.492 1.462 20 0 EDADHO O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000668665613 486016083 /nfs/dbraw/zinc/01/60/83/486016083.db2.gz BQAGFRAQEKTTRQ-GOSISDBHSA-N 1 3 328.460 1.870 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000669386737 486021473 /nfs/dbraw/zinc/02/14/73/486021473.db2.gz BJRCXSRWMIWKAL-KZNAEPCWSA-N 1 3 330.476 1.936 20 0 EDADHO [NH3+][C@H](CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000669420210 486138869 /nfs/dbraw/zinc/13/88/69/486138869.db2.gz DVXPNBTUPHPXDX-FUHWJXTLSA-N 1 3 330.476 1.935 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670787175 486218557 /nfs/dbraw/zinc/21/85/57/486218557.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 1 3 341.459 1.575 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670787175 486218565 /nfs/dbraw/zinc/21/85/65/486218565.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 1 3 341.459 1.575 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670787175 486218574 /nfs/dbraw/zinc/21/85/74/486218574.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 1 3 341.459 1.575 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cn1 ZINC000638419888 491020758 /nfs/dbraw/zinc/02/07/58/491020758.db2.gz STXBHZIHDVSYIB-KRWDZBQOSA-N 1 3 343.431 1.358 20 0 EDADHO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000156762374 534068042 /nfs/dbraw/zinc/06/80/42/534068042.db2.gz ARPBSOMJGGEADU-IAGOWNOFSA-N 1 3 335.492 1.998 20 0 EDADHO CCN(CCO)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000183990604 528544144 /nfs/dbraw/zinc/54/41/44/528544144.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 1 3 333.476 1.329 20 0 EDADHO CCN(CCO)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183990604 528544152 /nfs/dbraw/zinc/54/41/52/528544152.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 1 3 333.476 1.329 20 0 EDADHO CCOC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796824 528996494 /nfs/dbraw/zinc/99/64/94/528996494.db2.gz RZUFHUYGIIWTGD-SOLBZPMBSA-N 1 3 328.497 1.595 20 0 EDADHO CCOC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175796856 528997174 /nfs/dbraw/zinc/99/71/74/528997174.db2.gz RZUFHUYGIIWTGD-JFIYKMOQSA-N 1 3 328.497 1.595 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000158566490 529043973 /nfs/dbraw/zinc/04/39/73/529043973.db2.gz RPYSYCYTBHVVJH-QGZVFWFLSA-N 1 3 330.476 1.780 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C(=O)NCCN(C)C)C1(C)C ZINC000347176531 535418497 /nfs/dbraw/zinc/41/84/97/535418497.db2.gz WHINKTAWIVAVPN-BZUAXINKSA-N 1 3 327.513 1.872 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996091 535715255 /nfs/dbraw/zinc/71/52/55/535715255.db2.gz VMRJXJZBUDHUJU-HZPDHXFCSA-N 1 3 326.529 1.543 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262631377 535739967 /nfs/dbraw/zinc/73/99/67/535739967.db2.gz FGTHCPBZCKDQFV-JFIYKMOQSA-N 1 3 332.492 1.465 20 0 EDADHO CCc1noc(C)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660016 535875467 /nfs/dbraw/zinc/87/54/67/535875467.db2.gz BDBZMIGTFMMSEE-RHSMWYFYSA-N 1 3 334.464 1.626 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN[C@H](C)[C@@H]2C)cc1 ZINC000333684933 536892812 /nfs/dbraw/zinc/89/28/12/536892812.db2.gz PEKZXAAPNBJVTI-BODMPHMZSA-N 1 3 346.475 1.533 20 0 EDADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000746258239 578622330 /nfs/dbraw/zinc/62/23/30/578622330.db2.gz FLRMPDHNMUAALI-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)Nc1ncnc2c1ncn2CN1CCC(C[NH+](C)C)CC1 ZINC000738075587 579157405 /nfs/dbraw/zinc/15/74/05/579157405.db2.gz FRQWZESEORAZDD-UHFFFAOYSA-N 1 3 331.468 1.878 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708947 /nfs/dbraw/zinc/70/89/47/579708947.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 1 3 338.496 1.364 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708948 /nfs/dbraw/zinc/70/89/48/579708948.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 1 3 338.496 1.364 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000756815400 579957536 /nfs/dbraw/zinc/95/75/36/579957536.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 1 3 326.554 1.913 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815400 579957537 /nfs/dbraw/zinc/95/75/37/579957537.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 1 3 326.554 1.913 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000771662553 580292019 /nfs/dbraw/zinc/29/20/19/580292019.db2.gz CBJILTCZOOINSD-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CN(C)C1(C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000779369839 580484456 /nfs/dbraw/zinc/48/44/56/580484456.db2.gz APWHOAIVIHLLEH-LJQANCHMSA-N 1 3 345.487 1.566 20 0 EDADHO CN(C)C1(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000779369839 580484457 /nfs/dbraw/zinc/48/44/57/580484457.db2.gz APWHOAIVIHLLEH-LJQANCHMSA-N 1 3 345.487 1.566 20 0 EDADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786798750 580679559 /nfs/dbraw/zinc/67/95/59/580679559.db2.gz CHIAMFVZSYJXHQ-HNNXBMFYSA-N 1 3 346.475 1.714 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328792 580842210 /nfs/dbraw/zinc/84/22/10/580842210.db2.gz FRAVYHINGGJGSJ-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328792 580842211 /nfs/dbraw/zinc/84/22/11/580842211.db2.gz FRAVYHINGGJGSJ-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1OCCCO1 ZINC000793328837 580842243 /nfs/dbraw/zinc/84/22/43/580842243.db2.gz GIYFRIVGYVTNNK-OAHLLOKOSA-N 1 3 327.469 1.014 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1OCCCO1 ZINC000793328837 580842244 /nfs/dbraw/zinc/84/22/44/580842244.db2.gz GIYFRIVGYVTNNK-OAHLLOKOSA-N 1 3 327.469 1.014 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000891864105 590661364 /nfs/dbraw/zinc/66/13/64/590661364.db2.gz GIUBXFLSLOIBLZ-WHNWWWKISA-N 1 3 348.413 1.923 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000893192617 590704658 /nfs/dbraw/zinc/70/46/58/590704658.db2.gz YRYJLALVAWQGEZ-INIZCTEOSA-N 1 3 344.503 1.727 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000893192617 590704660 /nfs/dbraw/zinc/70/46/60/590704660.db2.gz YRYJLALVAWQGEZ-INIZCTEOSA-N 1 3 344.503 1.727 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000893328583 590783303 /nfs/dbraw/zinc/78/33/03/590783303.db2.gz ZKIOCXKHPBSXDP-UHFFFAOYSA-N 1 3 348.491 1.796 20 0 EDADHO O=S1CCC([NH2+]Cc2ccccc2CN2CCC[C@@H]2CO)CC1 ZINC000893486952 590903454 /nfs/dbraw/zinc/90/34/54/590903454.db2.gz JBHNXTRHCKLQDN-FRIYVGAWSA-N 1 3 336.501 1.644 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1ccncc1 ZINC000892274867 590906057 /nfs/dbraw/zinc/90/60/57/590906057.db2.gz QZHZRPVFFVKXFU-GDBMZVCRSA-N 1 3 329.448 1.586 20 0 EDADHO [NH3+][C@H](CCNC(=O)N1CC[C@H](N2CCCC2)C1)Cc1ccccc1 ZINC000892398774 591010621 /nfs/dbraw/zinc/01/06/21/591010621.db2.gz QQOMQPATWZVZPB-MSOLQXFVSA-N 1 3 330.476 1.826 20 0 EDADHO [NH3+][C@@H](CCNC(=O)NC[C@H]1CCCCN1CCO)Cc1ccccc1 ZINC000892407754 591015236 /nfs/dbraw/zinc/01/52/36/591015236.db2.gz DQYPYVQCVHSTME-ZWKOTPCHSA-N 1 3 348.491 1.093 20 0 EDADHO CN1CCC[C@H](CNc2nccc(NC[C@@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421899 591021426 /nfs/dbraw/zinc/02/14/26/591021426.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 1 3 332.496 1.984 20 0 EDADHO CN1CCC[C@H](CNc2nccc(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421899 591021431 /nfs/dbraw/zinc/02/14/31/591021431.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 1 3 332.496 1.984 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489815 591046688 /nfs/dbraw/zinc/04/66/88/591046688.db2.gz MLOAXMNLSDBPNU-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891350310 591055131 /nfs/dbraw/zinc/05/51/31/591055131.db2.gz PLOBKPRGHFIKPF-QAPCUYQASA-N 1 3 330.476 1.875 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892530285 591060784 /nfs/dbraw/zinc/06/07/84/591060784.db2.gz MDKGPWJAPAZBMI-ROUUACIJSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)N(C)C)cc1 ZINC000891447420 591074709 /nfs/dbraw/zinc/07/47/09/591074709.db2.gz VYENBULUAFYBEG-YQVWRLOYSA-N 1 3 330.476 1.849 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC000892586136 591082229 /nfs/dbraw/zinc/08/22/29/591082229.db2.gz DTDXMLMZVPHHFY-SRVCANOKSA-N 1 3 328.460 1.653 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891493713 591093042 /nfs/dbraw/zinc/09/30/42/591093042.db2.gz ZCHCPIOPOMPWQA-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000891642376 591164363 /nfs/dbraw/zinc/16/43/63/591164363.db2.gz YSYTWYGIYPXCAW-IAGOWNOFSA-N 1 3 340.537 1.599 20 0 EDADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H](N2CCCC2)C1 ZINC000892780417 591173089 /nfs/dbraw/zinc/17/30/89/591173089.db2.gz SFWUUKPSGCWXQI-CVEARBPZSA-N 1 3 336.480 1.025 20 0 EDADHO COCCC1(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000892792655 591177892 /nfs/dbraw/zinc/17/78/92/591177892.db2.gz QOLMCGWLCHXFNU-KRWDZBQOSA-N 1 3 346.475 1.159 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892789226 591179129 /nfs/dbraw/zinc/17/91/29/591179129.db2.gz MFCRWQYEHUZUQH-PKOBYXMFSA-N 1 3 328.460 1.486 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795304 591182331 /nfs/dbraw/zinc/18/23/31/591182331.db2.gz UQONPISHGJFEJX-IEBWSBKVSA-N 1 3 328.460 1.438 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795304 591182334 /nfs/dbraw/zinc/18/23/34/591182334.db2.gz UQONPISHGJFEJX-IEBWSBKVSA-N 1 3 328.460 1.438 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000892811445 591189486 /nfs/dbraw/zinc/18/94/86/591189486.db2.gz OPVONDROVWDLEM-MOPGFXCFSA-N 1 3 342.487 1.971 20 0 EDADHO COC(=O)[C@@H]1CN(C)CCN(c2cc[nH+]c3ccc(OC)cc32)C1 ZINC000894191603 591223709 /nfs/dbraw/zinc/22/37/09/591223709.db2.gz ZPDCOVBBWJMNKI-CYBMUJFWSA-N 1 3 329.400 1.784 20 0 EDADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895813395 591279043 /nfs/dbraw/zinc/27/90/43/591279043.db2.gz JPTJKPOMOKTTRJ-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1COCC1(C)C ZINC000894359454 591289149 /nfs/dbraw/zinc/28/91/49/591289149.db2.gz PICUUBKDZDOIMQ-IRXDYDNUSA-N 1 3 333.476 1.290 20 0 EDADHO COC(=O)c1cc(CNCCN2CCC([NH+](C)C)CC2)cs1 ZINC000894397888 591301975 /nfs/dbraw/zinc/30/19/75/591301975.db2.gz SYCZNNVFQARDBZ-UHFFFAOYSA-N 1 3 325.478 1.650 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000897432796 591412852 /nfs/dbraw/zinc/41/28/52/591412852.db2.gz NZKUTKWHYHIPLR-INIZCTEOSA-N 1 3 333.480 1.497 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000897432796 591412855 /nfs/dbraw/zinc/41/28/55/591412855.db2.gz NZKUTKWHYHIPLR-INIZCTEOSA-N 1 3 333.480 1.497 20 0 EDADHO C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)N(C)Cc1ccccc1 ZINC000896291972 591417032 /nfs/dbraw/zinc/41/70/32/591417032.db2.gz MVXRLOUHBHIWPK-INIZCTEOSA-N 1 3 345.487 1.734 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000909436107 591567108 /nfs/dbraw/zinc/56/71/08/591567108.db2.gz DXGDQNPSYJNSAO-GOSISDBHSA-N 1 3 338.540 1.734 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000909436107 591567111 /nfs/dbraw/zinc/56/71/11/591567111.db2.gz DXGDQNPSYJNSAO-GOSISDBHSA-N 1 3 338.540 1.734 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000900013157 591863272 /nfs/dbraw/zinc/86/32/72/591863272.db2.gz RPQUTYPUWUYKLV-UHFFFAOYSA-N 1 3 326.529 1.638 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000900013683 591872425 /nfs/dbraw/zinc/87/24/25/591872425.db2.gz OAIZEDCJICOIST-AZUAARDMSA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000900013683 591872426 /nfs/dbraw/zinc/87/24/26/591872426.db2.gz OAIZEDCJICOIST-AZUAARDMSA-N 1 3 345.487 1.787 20 0 EDADHO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000902417202 591991780 /nfs/dbraw/zinc/99/17/80/591991780.db2.gz XVDTYZYYIISXPL-CYBMUJFWSA-N 1 3 349.456 1.900 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900428942 592015362 /nfs/dbraw/zinc/01/53/62/592015362.db2.gz LNDQHJZYISAQKM-IXDOHACOSA-N 1 3 347.507 1.922 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900428942 592015363 /nfs/dbraw/zinc/01/53/63/592015363.db2.gz LNDQHJZYISAQKM-IXDOHACOSA-N 1 3 347.507 1.922 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900615314 592071521 /nfs/dbraw/zinc/07/15/21/592071521.db2.gz VJUDYSZVPZFVHN-ZWKOTPCHSA-N 1 3 330.476 1.989 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900615314 592071524 /nfs/dbraw/zinc/07/15/24/592071524.db2.gz VJUDYSZVPZFVHN-ZWKOTPCHSA-N 1 3 330.476 1.989 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000900687858 592095432 /nfs/dbraw/zinc/09/54/32/592095432.db2.gz ZICNTKDAWFVJMK-UHFFFAOYSA-N 1 3 338.540 1.593 20 0 EDADHO O=C1COc2ccccc2CN1CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000903182848 592132150 /nfs/dbraw/zinc/13/21/50/592132150.db2.gz VVVKZEQLZHKIMF-UHFFFAOYSA-N 1 3 343.471 1.872 20 0 EDADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900994 592165319 /nfs/dbraw/zinc/16/53/19/592165319.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900994 592165323 /nfs/dbraw/zinc/16/53/23/592165323.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ncc(C)c(OC)c1C)C2 ZINC000903492581 592185013 /nfs/dbraw/zinc/18/50/13/592185013.db2.gz FXOUNOZMOTVYBG-IYOUNJFTSA-N 1 3 333.432 1.419 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCOc1ccccc1OC)C2 ZINC000903492658 592185433 /nfs/dbraw/zinc/18/54/33/592185433.db2.gz PGWOWPUIPHMPHS-IYOUNJFTSA-N 1 3 334.416 1.286 20 0 EDADHO COc1cccc(CN(C)C(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c1OC ZINC000903496495 592187858 /nfs/dbraw/zinc/18/78/58/592187858.db2.gz PSOJRJDWCNFDTR-HUUCEWRRSA-N 1 3 349.475 1.579 20 0 EDADHO C[C@H](C(=O)N1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507033 592198936 /nfs/dbraw/zinc/19/89/36/592198936.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@H](C(=O)N1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507033 592198937 /nfs/dbraw/zinc/19/89/37/592198937.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCC(C)CC1 ZINC000906648519 592233783 /nfs/dbraw/zinc/23/37/83/592233783.db2.gz MNDFLNJQKJTGQQ-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@H](CNCc2ccc(C[NH3+])cc2)C1 ZINC000904367872 592239133 /nfs/dbraw/zinc/23/91/33/592239133.db2.gz FNHQRNYWVDCSDF-MRXNPFEDSA-N 1 3 335.448 1.871 20 0 EDADHO C[C@]1(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CCCNC1 ZINC000904366146 592242049 /nfs/dbraw/zinc/24/20/49/592242049.db2.gz FZMQOAALMHGPGP-AWEZNQCLSA-N 1 3 339.452 1.230 20 0 EDADHO C[C@]1(CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384353 592247403 /nfs/dbraw/zinc/24/74/03/592247403.db2.gz JPEODJLATSATNA-DFEOGRTESA-N 1 3 337.508 1.508 20 0 EDADHO C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCCNC1 ZINC000904384353 592247405 /nfs/dbraw/zinc/24/74/05/592247405.db2.gz JPEODJLATSATNA-DFEOGRTESA-N 1 3 337.508 1.508 20 0 EDADHO C[C@]1(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCCNC1 ZINC000904384353 592247408 /nfs/dbraw/zinc/24/74/08/592247408.db2.gz JPEODJLATSATNA-DFEOGRTESA-N 1 3 337.508 1.508 20 0 EDADHO [O-]c1cc(F)c(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000904434257 592255611 /nfs/dbraw/zinc/25/56/11/592255611.db2.gz UEJWYZPTBXASGF-LLVKDONJSA-N 1 3 337.374 1.519 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@@]34CC[NH2+]C4)n2)CC1 ZINC000904455875 592264995 /nfs/dbraw/zinc/26/49/95/592264995.db2.gz ALFXPSNYQOGFMV-KRWDZBQOSA-N 1 3 332.452 1.510 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904457734 592265778 /nfs/dbraw/zinc/26/57/78/592265778.db2.gz QONMQLAQMUAGKT-KSSFIOAISA-N 1 3 346.479 1.885 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCNCC4)o3)[C@H]2C1 ZINC000904475179 592269461 /nfs/dbraw/zinc/26/94/61/592269461.db2.gz ZIRGLWOKQRANIG-VDERGJSUSA-N 1 3 333.432 1.367 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000904598859 592292800 /nfs/dbraw/zinc/29/28/00/592292800.db2.gz TWZGADZQMWTXLO-MRXNPFEDSA-N 1 3 334.464 1.849 20 0 EDADHO CCOC(=O)N(C)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752970 592297014 /nfs/dbraw/zinc/29/70/14/592297014.db2.gz RDFUFVILJWKPNY-WBVHZDCISA-N 1 3 325.453 1.308 20 0 EDADHO CN1CC[C@@H](NC(=O)c2ccnn2CC[NH+](C)C)[C@H]1c1ccccc1 ZINC000901236888 592297219 /nfs/dbraw/zinc/29/72/19/592297219.db2.gz ZFHGHJVXUIYALN-SJLPKXTDSA-N 1 3 341.459 1.620 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903736799 592298901 /nfs/dbraw/zinc/29/89/01/592298901.db2.gz NAQZPYNKIYDIMQ-ZSXDVEMLSA-N 1 3 337.508 1.329 20 0 EDADHO Cc1nc(CN2CCC[C@H](N(C)C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738991 592300830 /nfs/dbraw/zinc/30/08/30/592300830.db2.gz AMYPTOBDHUSOCE-BQFCYCMXSA-N 1 3 349.479 1.043 20 0 EDADHO CCOC(=O)CC1CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883011 592362755 /nfs/dbraw/zinc/36/27/55/592362755.db2.gz DITLYFIIVNNLMK-MRXNPFEDSA-N 1 3 336.480 1.511 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908299 592373652 /nfs/dbraw/zinc/37/36/52/592373652.db2.gz GHJACAGJZXPSKP-ROUUACIJSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908299 592373657 /nfs/dbraw/zinc/37/36/57/592373657.db2.gz GHJACAGJZXPSKP-ROUUACIJSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908299 592373662 /nfs/dbraw/zinc/37/36/62/592373662.db2.gz GHJACAGJZXPSKP-ROUUACIJSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922983 592378232 /nfs/dbraw/zinc/37/82/32/592378232.db2.gz ISGZMKQBLNQISQ-WBVHZDCISA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922983 592378238 /nfs/dbraw/zinc/37/82/38/592378238.db2.gz ISGZMKQBLNQISQ-WBVHZDCISA-N 1 3 328.464 1.109 20 0 EDADHO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000903948219 592394073 /nfs/dbraw/zinc/39/40/73/592394073.db2.gz NQSZHJFQTYRABY-CQSZACIVSA-N 1 3 345.443 1.029 20 0 EDADHO COC(=O)c1ccc2c(c1)CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000903948219 592394078 /nfs/dbraw/zinc/39/40/78/592394078.db2.gz NQSZHJFQTYRABY-CQSZACIVSA-N 1 3 345.443 1.029 20 0 EDADHO Cn1nnc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)ccc21 ZINC000903980244 592400723 /nfs/dbraw/zinc/40/07/23/592400723.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 1 3 340.475 1.369 20 0 EDADHO Cn1nnc2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)ccc21 ZINC000903980244 592400726 /nfs/dbraw/zinc/40/07/26/592400726.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 1 3 340.475 1.369 20 0 EDADHO Cn1nnc2cc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc21 ZINC000903980244 592400727 /nfs/dbraw/zinc/40/07/27/592400727.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 1 3 340.475 1.369 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905108794 592410149 /nfs/dbraw/zinc/41/01/49/592410149.db2.gz BXPOUVAMYXRZRL-SFHVURJKSA-N 1 3 341.540 1.440 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000904283096 592468278 /nfs/dbraw/zinc/46/82/78/592468278.db2.gz XRGWQODRSUVQPH-WKILWMFISA-N 1 3 345.491 1.996 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1(C)C ZINC000905249666 592476759 /nfs/dbraw/zinc/47/67/59/592476759.db2.gz ZPGIAOAXBIUFJC-QZTJIDSGSA-N 1 3 335.492 1.087 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249665 592476768 /nfs/dbraw/zinc/47/67/68/592476768.db2.gz ZPGIAOAXBIUFJC-MSOLQXFVSA-N 1 3 335.492 1.087 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905294939 592487214 /nfs/dbraw/zinc/48/72/14/592487214.db2.gz NAVJRPWOCVBGLM-RBUKOAKNSA-N 1 3 335.492 1.087 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497137 592553540 /nfs/dbraw/zinc/55/35/40/592553540.db2.gz WYHPKKPCUVTEDP-YYWYGQEZSA-N 1 3 328.497 1.232 20 0 EDADHO CN1CCN([C@H]2CC[C@@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000907385243 592620574 /nfs/dbraw/zinc/62/05/74/592620574.db2.gz PNGKLSUWMKDELS-ZSYWTGECSA-N 1 3 348.535 1.678 20 0 EDADHO CN1CCN([C@H]2CC[C@@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000907385243 592620579 /nfs/dbraw/zinc/62/05/79/592620579.db2.gz PNGKLSUWMKDELS-ZSYWTGECSA-N 1 3 348.535 1.678 20 0 EDADHO CC(C)C[C@@H](N)C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000906096120 592740792 /nfs/dbraw/zinc/74/07/92/592740792.db2.gz BGZXFRKSGGLKKI-ZIAGYGMSSA-N 1 3 336.505 1.987 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000907747531 592787254 /nfs/dbraw/zinc/78/72/54/592787254.db2.gz UDJKEKDZLPBZAA-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO COc1cc(NC(=O)C23CC[NH+](CC2)C3)ccc1OCCN(C)C ZINC000910935631 592902216 /nfs/dbraw/zinc/90/22/16/592902216.db2.gz LRVHWAALIKWLAS-UHFFFAOYSA-N 1 3 333.432 1.670 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@@H]1CCCN1CC ZINC000753961605 592912238 /nfs/dbraw/zinc/91/22/38/592912238.db2.gz AROPYXONIYWWRF-GJZGRUSLSA-N 1 3 330.542 1.292 20 0 EDADHO N[C@@H](CC(=O)NCC1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC000911673256 592985130 /nfs/dbraw/zinc/98/51/30/592985130.db2.gz TZNIXMOMHQEPKO-GFCCVEGCSA-N 1 3 329.366 1.480 20 0 EDADHO N[C@@H](CC(=O)N1CCC[C@H](C[NH3+])C1)Cc1cc(F)c(F)cc1F ZINC000911714090 592986374 /nfs/dbraw/zinc/98/63/74/592986374.db2.gz NPINYBJTMSMMMR-ZYHUDNBSSA-N 1 3 329.366 1.561 20 0 EDADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@H](C)N1 ZINC000911801095 593012741 /nfs/dbraw/zinc/01/27/41/593012741.db2.gz YHQCRQKMQIJKLE-JFGNBEQYSA-N 1 3 329.366 1.573 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@@H](N)Cc1ccc(Br)cc1 ZINC000911831983 593018860 /nfs/dbraw/zinc/01/88/60/593018860.db2.gz UQSZTDYDHYFXHA-UONOGXRCSA-N 1 3 342.281 1.809 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)N(CC)CC ZINC000912346664 593087789 /nfs/dbraw/zinc/08/77/89/593087789.db2.gz CVJASJXRKRKTDK-QGZVFWFLSA-N 1 3 325.497 1.866 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCSC1 ZINC000810476038 593404318 /nfs/dbraw/zinc/40/43/18/593404318.db2.gz URJLVOGLDKWKSF-HZPDHXFCSA-N 1 3 331.501 1.752 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000819288063 593748676 /nfs/dbraw/zinc/74/86/76/593748676.db2.gz UMTDUSFBMQSNAL-HNNXBMFYSA-N 1 3 327.419 1.614 20 0 EDADHO CC(C)(O)c1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000830231732 594359369 /nfs/dbraw/zinc/35/93/69/594359369.db2.gz SZAIXDFHQWXDQZ-MRXNPFEDSA-N 1 3 333.476 1.591 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCCCCC[NH3+] ZINC000831280730 594598552 /nfs/dbraw/zinc/59/85/52/594598552.db2.gz LCDIKEOUVJCMQA-OAHLLOKOSA-N 1 3 326.485 1.400 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)[C@]2(F)CCNC2)CCOCC1)c1ccccc1 ZINC000829581297 594644849 /nfs/dbraw/zinc/64/48/49/594644849.db2.gz ZDPHUXMXJLJLST-BEFAXECRSA-N 1 3 349.450 1.704 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017549 594839783 /nfs/dbraw/zinc/83/97/83/594839783.db2.gz FWEMEXPVYFSBCJ-QGZVFWFLSA-N 1 3 331.464 1.654 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)N1CCCCC1 ZINC000841019287 594840469 /nfs/dbraw/zinc/84/04/69/594840469.db2.gz GSQMHACMMMIPQP-CQSZACIVSA-N 1 3 344.459 1.261 20 0 EDADHO COCCN1CCC(NC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841291784 594882219 /nfs/dbraw/zinc/88/22/19/594882219.db2.gz UYWRYEGARNLWPR-UHFFFAOYSA-N 1 3 336.436 1.256 20 0 EDADHO C[C@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)N1CCCCC1 ZINC000841320990 594883946 /nfs/dbraw/zinc/88/39/46/594883946.db2.gz CMTBKRKIKPKKPY-UKRRQHHQSA-N 1 3 331.464 1.894 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000841833189 594959648 /nfs/dbraw/zinc/95/96/48/594959648.db2.gz SYBJDIHPSVKUAZ-FUHWJXTLSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833189 594959650 /nfs/dbraw/zinc/95/96/50/594959650.db2.gz SYBJDIHPSVKUAZ-FUHWJXTLSA-N 1 3 328.460 1.657 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000841990327 594996592 /nfs/dbraw/zinc/99/65/92/594996592.db2.gz WUOLXBBQWPAFSE-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000841992786 594997459 /nfs/dbraw/zinc/99/74/59/594997459.db2.gz XIOYWFUFYNQLTA-GOSISDBHSA-N 1 3 346.475 1.283 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)N1CCCCC1 ZINC000842015428 595003222 /nfs/dbraw/zinc/00/32/22/595003222.db2.gz LHJKTBMTHRCHBM-GDBMZVCRSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355406 595085180 /nfs/dbraw/zinc/08/51/80/595085180.db2.gz NDXRNZFYMWPWJN-VXLLPVPCSA-N 1 3 325.497 1.900 20 0 EDADHO c1cc(-c2noc(C[C@@H]3CNCCO3)n2)ccc1C[NH+]1CCCC1 ZINC000843172594 595298831 /nfs/dbraw/zinc/29/88/31/595298831.db2.gz FQUFPZONZYUBPH-MRXNPFEDSA-N 1 3 328.416 1.863 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000844226882 595309869 /nfs/dbraw/zinc/30/98/69/595309869.db2.gz RYEKSPHFDLDNRU-QZTJIDSGSA-N 1 3 341.459 1.986 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NO[C@H](CO)C(C)C)CC2)CC1 ZINC000848197251 595338766 /nfs/dbraw/zinc/33/87/66/595338766.db2.gz WRTIXPPDAXEVIP-QGZVFWFLSA-N 1 3 341.496 1.247 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000847318149 595394818 /nfs/dbraw/zinc/39/48/18/595394818.db2.gz BJKNYIGQHLKEBR-HYVNUMGLSA-N 1 3 338.496 1.269 20 0 EDADHO Cc1ccc(CNC(=[NH2+])NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000849073812 595478213 /nfs/dbraw/zinc/47/82/13/595478213.db2.gz FOFTUGJEMLMHHA-KRWDZBQOSA-N 1 3 345.491 1.552 20 0 EDADHO CN(C)CCN(C)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000849081929 595479445 /nfs/dbraw/zinc/47/94/45/595479445.db2.gz QIFLQDDVWSJKBJ-UHFFFAOYSA-N 1 3 349.479 1.668 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486801 595547854 /nfs/dbraw/zinc/54/78/54/595547854.db2.gz JAKVYKLJGBDUTC-ROUUACIJSA-N 1 3 347.507 1.448 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541155 595560625 /nfs/dbraw/zinc/56/06/25/595560625.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541155 595560627 /nfs/dbraw/zinc/56/06/27/595560627.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 1 3 349.523 1.690 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)cc1F ZINC000852869484 595589196 /nfs/dbraw/zinc/58/91/96/595589196.db2.gz GDMPABLBDWGSSB-LLVKDONJSA-N 1 3 331.395 1.940 20 0 EDADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1CCN(C2CC2)CC1 ZINC000855201156 595623979 /nfs/dbraw/zinc/62/39/79/595623979.db2.gz OTBBTKFKWRMJJI-UHFFFAOYSA-N 1 3 349.519 1.868 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231950 596009687 /nfs/dbraw/zinc/00/96/87/596009687.db2.gz PRRRBIFLVUDQRX-XKQJLSEDSA-N 1 3 332.448 1.448 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000861555491 596028735 /nfs/dbraw/zinc/02/87/35/596028735.db2.gz OAONATIXOKHORE-AEFFLSMTSA-N 1 3 347.507 1.354 20 0 EDADHO CCN(C)Cc1cc(O[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000856638634 596040893 /nfs/dbraw/zinc/04/08/93/596040893.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 1 3 348.491 1.853 20 0 EDADHO CCN(C)Cc1cc(O[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000856638634 596040897 /nfs/dbraw/zinc/04/08/97/596040897.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 1 3 348.491 1.853 20 0 EDADHO CON1CCN(CC[Si](C)(C)CCN2CCN(OC)CC2)CC1 ZINC000859326211 596051862 /nfs/dbraw/zinc/05/18/62/596051862.db2.gz HMBXOPQGRCCIPR-UHFFFAOYSA-N 1 3 344.576 1.053 20 0 EDADHO CON1CCN(CC[Si](C)(C)CC[NH+]2CCN(OC)CC2)CC1 ZINC000859326211 596051866 /nfs/dbraw/zinc/05/18/66/596051866.db2.gz HMBXOPQGRCCIPR-UHFFFAOYSA-N 1 3 344.576 1.053 20 0 EDADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000870865738 596382740 /nfs/dbraw/zinc/38/27/40/596382740.db2.gz HSXUVDAFJUQVMJ-SQGPQFPESA-N 1 3 327.472 1.937 20 0 EDADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000870882617 596388258 /nfs/dbraw/zinc/38/82/58/596388258.db2.gz QEXNJDOGCRACCX-SQGPQFPESA-N 1 3 343.471 1.387 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883813 596389202 /nfs/dbraw/zinc/38/92/02/596389202.db2.gz JBMHEGFQQCQJFB-AWEZNQCLSA-N 1 3 334.489 1.824 20 0 EDADHO C[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000865143355 596489832 /nfs/dbraw/zinc/48/98/32/596489832.db2.gz VYMMMONVEKBRTL-JSGCOSHPSA-N 1 3 342.484 1.040 20 0 EDADHO C[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000865143355 596489833 /nfs/dbraw/zinc/48/98/33/596489833.db2.gz VYMMMONVEKBRTL-JSGCOSHPSA-N 1 3 342.484 1.040 20 0 EDADHO COc1cc(NC[C@H](O)C[NH+]2CCCC2)ccc1OCCN(C)C ZINC000863559917 596619061 /nfs/dbraw/zinc/61/90/61/596619061.db2.gz YKICQFNNNXNJPB-INIZCTEOSA-N 1 3 337.464 1.504 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626597 /nfs/dbraw/zinc/62/65/97/596626597.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 1 3 345.487 1.293 20 0 EDADHO C[N@H+]1C[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626601 /nfs/dbraw/zinc/62/66/01/596626601.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 1 3 345.487 1.293 20 0 EDADHO Cc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)n(C2CCN(C)CC2)n1 ZINC000868130822 596697164 /nfs/dbraw/zinc/69/71/64/596697164.db2.gz SLHGQVWWKDSZGS-HOTGVXAUSA-N 1 3 346.479 1.816 20 0 EDADHO CN(C)S(=O)(=O)CCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156236 596815717 /nfs/dbraw/zinc/81/57/17/596815717.db2.gz GTKMJRZSWAKPCT-HOCLYGCPSA-N 1 3 331.526 1.497 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccccc1 ZINC000874431975 597075644 /nfs/dbraw/zinc/07/56/44/597075644.db2.gz DYBJAYRSWUUUOZ-OKZBNKHCSA-N 1 3 330.476 1.695 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000874467735 597092938 /nfs/dbraw/zinc/09/29/38/597092938.db2.gz OQCYMUMCSFPWME-KRWDZBQOSA-N 1 3 335.492 1.622 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n1C ZINC000873055372 597173525 /nfs/dbraw/zinc/17/35/25/597173525.db2.gz HYPXTLZQZHMZGA-HUUCEWRRSA-N 1 3 337.464 1.791 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874838638 597192976 /nfs/dbraw/zinc/19/29/76/597192976.db2.gz QHXYSZAFTWYCNI-GGPKGHCWSA-N 1 3 343.471 1.319 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874838638 597192978 /nfs/dbraw/zinc/19/29/78/597192978.db2.gz QHXYSZAFTWYCNI-GGPKGHCWSA-N 1 3 343.471 1.319 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)c1c(CN)cnn1C)c1ccccc1 ZINC000876503431 597223881 /nfs/dbraw/zinc/22/38/81/597223881.db2.gz JRJWOVYJUGCKCI-INIZCTEOSA-N 1 3 329.448 1.692 20 0 EDADHO COC(=O)CCN(Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCO1 ZINC000873205396 597226915 /nfs/dbraw/zinc/22/69/15/597226915.db2.gz NXIMVPSFKAKLLM-CQSZACIVSA-N 1 3 338.473 1.938 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247060 597238914 /nfs/dbraw/zinc/23/89/14/597238914.db2.gz HMVDJXXQYRCABO-FZKQIMNGSA-N 1 3 326.448 1.298 20 0 EDADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1 ZINC000873263704 597242775 /nfs/dbraw/zinc/24/27/75/597242775.db2.gz YNUXFCYMTMQHHJ-ZBFHGGJFSA-N 1 3 325.478 1.244 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cn2)CC1 ZINC000873334344 597259826 /nfs/dbraw/zinc/25/98/26/597259826.db2.gz UJFPPCRJYGFWMO-NVXWUHKLSA-N 1 3 332.452 1.556 20 0 EDADHO Cn1ncc(C[NH3+])c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000876709483 597297293 /nfs/dbraw/zinc/29/72/93/597297293.db2.gz SDNLVNLZZWBLNG-INIZCTEOSA-N 1 3 327.432 1.446 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876719151 597303205 /nfs/dbraw/zinc/30/32/05/597303205.db2.gz DQPBHUJDDAWCPZ-QAPCUYQASA-N 1 3 332.492 1.566 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CN(C)C ZINC000876719151 597303208 /nfs/dbraw/zinc/30/32/08/597303208.db2.gz DQPBHUJDDAWCPZ-QAPCUYQASA-N 1 3 332.492 1.566 20 0 EDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000876728124 597309148 /nfs/dbraw/zinc/30/91/48/597309148.db2.gz GJALQOMZUXPISN-KGLIPLIRSA-N 1 3 325.522 1.838 20 0 EDADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CN(C)C)CCCC1)c1ccccc1 ZINC000876763107 597328380 /nfs/dbraw/zinc/32/83/80/597328380.db2.gz MYUKQKMJURQSBP-RDJZCZTQSA-N 1 3 332.492 1.655 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000876794708 597343157 /nfs/dbraw/zinc/34/31/57/597343157.db2.gz ZWQQVOIJFQFBNV-HNNXBMFYSA-N 1 3 340.431 1.409 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876904290 597378650 /nfs/dbraw/zinc/37/86/50/597378650.db2.gz XYJIHHZKQLGTGL-SZMVWBNQSA-N 1 3 349.450 1.896 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000877053750 597423378 /nfs/dbraw/zinc/42/33/78/597423378.db2.gz AQGXCUYQPDOTLN-HNNXBMFYSA-N 1 3 328.403 1.823 20 0 EDADHO COc1ccc([C@@H]2CN(C(=O)[C@H](N)Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236044 597473591 /nfs/dbraw/zinc/47/35/91/597473591.db2.gz UOXWBPRWWVPZTR-IPMKNSEASA-N 1 3 339.439 1.518 20 0 EDADHO CCN(CC)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378740 597951086 /nfs/dbraw/zinc/95/10/86/597951086.db2.gz HXTVCTXFUKKSPM-UHFFFAOYSA-N 1 3 347.503 1.862 20 0 EDADHO CO[C@@H](CN)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000884187864 598019198 /nfs/dbraw/zinc/01/91/98/598019198.db2.gz RJIZZWROAMIIAU-MPGHIAIKSA-N 1 3 333.476 1.754 20 0 EDADHO N[C@H](CC1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000884221379 598033601 /nfs/dbraw/zinc/03/36/01/598033601.db2.gz QLYZDZFAKGAVKE-OAHLLOKOSA-N 1 3 325.522 1.982 20 0 EDADHO CN(CCCN(C)C(=O)CN(C)C1CCC1)C(=O)CCC[NH+](C)C ZINC001067671014 695179950 /nfs/dbraw/zinc/17/99/50/695179950.db2.gz QWSUWFQJXVTCPL-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO C[C@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)C(C)(C)C[NH+](C)C ZINC000914237092 695295634 /nfs/dbraw/zinc/29/56/34/695295634.db2.gz MYAMTCCVVIDVIC-HOCLYGCPSA-N 1 3 331.526 1.368 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914407798 695391383 /nfs/dbraw/zinc/39/13/83/695391383.db2.gz WUPLSSOXWHTQDY-IKGGRYGDSA-N 1 3 343.537 1.512 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914407798 695391384 /nfs/dbraw/zinc/39/13/84/695391384.db2.gz WUPLSSOXWHTQDY-IKGGRYGDSA-N 1 3 343.537 1.512 20 0 EDADHO CC(C)=CCN1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367613 696015697 /nfs/dbraw/zinc/01/56/97/696015697.db2.gz QPFVWLSCEJXRAH-SJORKVTESA-N 1 3 347.507 1.994 20 0 EDADHO COCCN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000993980943 696480513 /nfs/dbraw/zinc/48/05/13/696480513.db2.gz CIYIODISBHEGGF-QAPCUYQASA-N 1 3 333.476 1.977 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477359 697394119 /nfs/dbraw/zinc/39/41/19/697394119.db2.gz JGFVLPZCPYQURU-ZYHUDNBSSA-N 1 3 343.415 1.278 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127360 699205233 /nfs/dbraw/zinc/20/52/33/699205233.db2.gz COWKTNSKMLSFLV-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639734 701603192 /nfs/dbraw/zinc/60/31/92/701603192.db2.gz XNMSGMFOJSFSMC-KRWDZBQOSA-N 1 3 336.524 1.203 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639734 701603193 /nfs/dbraw/zinc/60/31/93/701603193.db2.gz XNMSGMFOJSFSMC-KRWDZBQOSA-N 1 3 336.524 1.203 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939546818 699688915 /nfs/dbraw/zinc/68/89/15/699688915.db2.gz UNBBGHIWMJGRHI-BLLLJJGKSA-N 1 3 332.448 1.324 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941677713 701616091 /nfs/dbraw/zinc/61/60/91/701616091.db2.gz UXMGCQUBTHJKII-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941677713 701616092 /nfs/dbraw/zinc/61/60/92/701616092.db2.gz UXMGCQUBTHJKII-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cn(C)nc2C)CC1)N(C)C ZINC000940337258 700495089 /nfs/dbraw/zinc/49/50/89/700495089.db2.gz CFNVMGGPRKVNNE-INIZCTEOSA-N 1 3 335.496 1.539 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328021 700506013 /nfs/dbraw/zinc/50/60/13/700506013.db2.gz CNSPKUZDPHGUEN-MRXNPFEDSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328021 700506015 /nfs/dbraw/zinc/50/60/15/700506015.db2.gz CNSPKUZDPHGUEN-MRXNPFEDSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000940329228 700508385 /nfs/dbraw/zinc/50/83/85/700508385.db2.gz RTZMVMBVIFKZDX-MRXNPFEDSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000940329228 700508386 /nfs/dbraw/zinc/50/83/86/700508386.db2.gz RTZMVMBVIFKZDX-MRXNPFEDSA-N 1 3 347.507 1.858 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329868 700509343 /nfs/dbraw/zinc/50/93/43/700509343.db2.gz YYKAPXVPWKFPHQ-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940426092 700619743 /nfs/dbraw/zinc/61/97/43/700619743.db2.gz FLEPLCWSCPUUHR-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940426092 700619745 /nfs/dbraw/zinc/61/97/45/700619745.db2.gz FLEPLCWSCPUUHR-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1nnc(CNC2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000940471985 700657178 /nfs/dbraw/zinc/65/71/78/700657178.db2.gz FINSGYAVJCUELF-UHFFFAOYSA-N 1 3 348.495 1.460 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001031919050 701041112 /nfs/dbraw/zinc/04/11/12/701041112.db2.gz LTJOQKSGBLDKRN-MSOLQXFVSA-N 1 3 337.508 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)C1 ZINC001031919050 701041113 /nfs/dbraw/zinc/04/11/13/701041113.db2.gz LTJOQKSGBLDKRN-MSOLQXFVSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168223 706595702 /nfs/dbraw/zinc/59/57/02/706595702.db2.gz GYVKYTMVQCJWGB-ABHNRTSZSA-N 1 3 346.475 1.936 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2ccccn2)C1 ZINC000999168200 706595710 /nfs/dbraw/zinc/59/57/10/706595710.db2.gz FSVDCYVBWNEHIH-ROUUACIJSA-N 1 3 328.460 1.504 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456913 701543185 /nfs/dbraw/zinc/54/31/85/701543185.db2.gz VSNARCMGWOYLCM-MJGOQNOKSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456913 701543186 /nfs/dbraw/zinc/54/31/86/701543186.db2.gz VSNARCMGWOYLCM-MJGOQNOKSA-N 1 3 348.535 1.488 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886865 702223247 /nfs/dbraw/zinc/22/32/47/702223247.db2.gz OJJHBOJQSMDDCS-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886865 702223249 /nfs/dbraw/zinc/22/32/49/702223249.db2.gz OJJHBOJQSMDDCS-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300456 702691525 /nfs/dbraw/zinc/69/15/25/702691525.db2.gz MPFDWBIWXDPIIU-DOTOQJQBSA-N 1 3 330.476 1.893 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)C1 ZINC000996300452 702691735 /nfs/dbraw/zinc/69/17/35/702691735.db2.gz MONDMIOXMNQJLN-CXAGYDPISA-N 1 3 331.451 1.995 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2C[C@@H](NCCF)C(C)(C)C2)C1 ZINC000996300452 702691738 /nfs/dbraw/zinc/69/17/38/702691738.db2.gz MONDMIOXMNQJLN-CXAGYDPISA-N 1 3 331.451 1.995 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)N(C)C ZINC000996315607 702703776 /nfs/dbraw/zinc/70/37/76/702703776.db2.gz PVMQYUHXPGHPPN-JKSUJKDBSA-N 1 3 335.496 1.129 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000996356773 702733996 /nfs/dbraw/zinc/73/39/96/702733996.db2.gz SICFJCHYLPBYJW-AWEZNQCLSA-N 1 3 333.461 1.478 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465101 702792208 /nfs/dbraw/zinc/79/22/08/702792208.db2.gz QJBOHWFRJIVDEF-SFHVURJKSA-N 1 3 347.507 1.856 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465101 702792209 /nfs/dbraw/zinc/79/22/09/702792209.db2.gz QJBOHWFRJIVDEF-SFHVURJKSA-N 1 3 347.507 1.856 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518600 702854357 /nfs/dbraw/zinc/85/43/57/702854357.db2.gz LXLGVSYJCFZKAA-NVXWUHKLSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518600 702854358 /nfs/dbraw/zinc/85/43/58/702854358.db2.gz LXLGVSYJCFZKAA-NVXWUHKLSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996677441 702976600 /nfs/dbraw/zinc/97/66/00/702976600.db2.gz JPTCOTSMXDQUDY-QGZVFWFLSA-N 1 3 333.480 1.149 20 0 EDADHO Cc1csc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)n1 ZINC000996679165 702978298 /nfs/dbraw/zinc/97/82/98/702978298.db2.gz QCAFIRUPDMWBIX-INIZCTEOSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)cn1 ZINC000996720724 703014537 /nfs/dbraw/zinc/01/45/37/703014537.db2.gz FHKFLOHAQIQAFQ-CRAIPNDOSA-N 1 3 345.491 1.911 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)ncn1 ZINC000996725097 703019621 /nfs/dbraw/zinc/01/96/21/703019621.db2.gz RJOATFHIIKFKTO-QGZVFWFLSA-N 1 3 331.464 1.350 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)N(C)C ZINC000996965106 703225659 /nfs/dbraw/zinc/22/56/59/703225659.db2.gz MCFKXEQNYXZKJF-DLBZAZTESA-N 1 3 325.497 1.722 20 0 EDADHO CCc1nocc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008971 703261640 /nfs/dbraw/zinc/26/16/40/703261640.db2.gz NPTVAOWWNAPLAJ-BBRMVZONSA-N 1 3 334.464 1.515 20 0 EDADHO CCc1nocc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008971 703261642 /nfs/dbraw/zinc/26/16/42/703261642.db2.gz NPTVAOWWNAPLAJ-BBRMVZONSA-N 1 3 334.464 1.515 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)ncn1 ZINC000997010903 703270914 /nfs/dbraw/zinc/27/09/14/703270914.db2.gz UQNLFHCBIJUDAK-CXAGYDPISA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)ncn1 ZINC000997010903 703270917 /nfs/dbraw/zinc/27/09/17/703270917.db2.gz UQNLFHCBIJUDAK-CXAGYDPISA-N 1 3 331.464 1.063 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)N(C)C ZINC000997016694 703275019 /nfs/dbraw/zinc/27/50/19/703275019.db2.gz WUHMMIUTCKQQGQ-KRWDZBQOSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)c1cccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997042606 703292295 /nfs/dbraw/zinc/29/22/95/703292295.db2.gz RJRJJWJYMYUMOT-UHFFFAOYSA-N 1 3 341.459 1.799 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997115755 703369761 /nfs/dbraw/zinc/36/97/61/703369761.db2.gz QQIIKVYCWUGXPB-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)o1 ZINC000997611459 703911142 /nfs/dbraw/zinc/91/11/42/703911142.db2.gz FSAGQXHEQXGJNA-MRXNPFEDSA-N 1 3 348.491 1.968 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082679 704139837 /nfs/dbraw/zinc/13/98/37/704139837.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 1 3 337.508 1.820 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082679 704139839 /nfs/dbraw/zinc/13/98/39/704139839.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 1 3 337.508 1.820 20 0 EDADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032538424 704588687 /nfs/dbraw/zinc/58/86/87/704588687.db2.gz QMOKFLZLFZEMNB-GBESFXJTSA-N 1 3 347.503 1.573 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1)C1CCC1 ZINC000997830233 704748610 /nfs/dbraw/zinc/74/86/10/704748610.db2.gz FSRFJXQUWRFDLB-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000997840468 704756806 /nfs/dbraw/zinc/75/68/06/704756806.db2.gz QAYYTPMLISWKTM-KRWDZBQOSA-N 1 3 336.480 1.897 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)N(C)C ZINC000997842548 704758312 /nfs/dbraw/zinc/75/83/12/704758312.db2.gz DKWFNHRHAVPOIM-KRWDZBQOSA-N 1 3 335.496 1.335 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998781232 706222266 /nfs/dbraw/zinc/22/22/66/706222266.db2.gz SJQVOKNNOVGHJJ-OFLPRAFFSA-N 1 3 346.475 1.658 20 0 EDADHO Cc1cccnc1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999367143 706881176 /nfs/dbraw/zinc/88/11/76/706881176.db2.gz DSDXHRWZSBMFOC-FUHWJXTLSA-N 1 3 330.476 1.811 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)cn1 ZINC000999406896 706916497 /nfs/dbraw/zinc/91/64/97/706916497.db2.gz BOPPVPGDYHWLCZ-ZLPCBKJTSA-N 1 3 347.507 1.366 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnc(OC)nc2C)C1)N(C)C ZINC000999490681 707027128 /nfs/dbraw/zinc/02/71/28/707027128.db2.gz RZAHVUQXJOWTJY-JKSUJKDBSA-N 1 3 349.479 1.214 20 0 EDADHO C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776400 707209570 /nfs/dbraw/zinc/20/95/70/707209570.db2.gz MTQPPTILDFHWBK-YESZJQIVSA-N 1 3 337.508 1.270 20 0 EDADHO C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776400 707209573 /nfs/dbraw/zinc/20/95/73/707209573.db2.gz MTQPPTILDFHWBK-YESZJQIVSA-N 1 3 337.508 1.270 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999687773 707241530 /nfs/dbraw/zinc/24/15/30/707241530.db2.gz JQKWXMPQGOXWGE-WLYUNCDWSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999687773 707241534 /nfs/dbraw/zinc/24/15/34/707241534.db2.gz JQKWXMPQGOXWGE-WLYUNCDWSA-N 1 3 336.505 1.872 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000999763752 707318347 /nfs/dbraw/zinc/31/83/47/707318347.db2.gz ILSQYYZXHOTRGH-AGYKMIKPSA-N 1 3 347.503 1.620 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000999834103 707467015 /nfs/dbraw/zinc/46/70/15/707467015.db2.gz RFBLNHDPTFGQIH-ABHNRTSZSA-N 1 3 349.450 1.534 20 0 EDADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871495 707514923 /nfs/dbraw/zinc/51/49/23/707514923.db2.gz MBPCHSFXDSLZHA-HNNXBMFYSA-N 1 3 333.480 1.375 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993899 707671465 /nfs/dbraw/zinc/67/14/65/707671465.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 1 3 348.495 1.422 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993899 707671467 /nfs/dbraw/zinc/67/14/67/707671467.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 1 3 348.495 1.422 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1 ZINC001032801378 708082781 /nfs/dbraw/zinc/08/27/81/708082781.db2.gz SYPVQMPPOBCCLE-OALUTQOASA-N 1 3 349.519 1.964 20 0 EDADHO Cc1ncsc1CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662165 708477097 /nfs/dbraw/zinc/47/70/97/708477097.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 1 3 336.505 1.478 20 0 EDADHO Cc1ncsc1CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662165 708477099 /nfs/dbraw/zinc/47/70/99/708477099.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 1 3 336.505 1.478 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121143 708634931 /nfs/dbraw/zinc/63/49/31/708634931.db2.gz ORLQSCKXADZPRX-SFHVURJKSA-N 1 3 330.476 1.670 20 0 EDADHO Cc1ncccc1CN1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121143 708634932 /nfs/dbraw/zinc/63/49/32/708634932.db2.gz ORLQSCKXADZPRX-SFHVURJKSA-N 1 3 330.476 1.670 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002156325 708671018 /nfs/dbraw/zinc/67/10/18/708671018.db2.gz HBOUYFLHWHLJGM-UHFFFAOYSA-N 1 3 333.476 1.572 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033907997 709040719 /nfs/dbraw/zinc/04/07/19/709040719.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 1 3 335.492 1.428 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907997 709040722 /nfs/dbraw/zinc/04/07/22/709040722.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 1 3 335.492 1.428 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)C2)c1 ZINC001016322719 709216341 /nfs/dbraw/zinc/21/63/41/709216341.db2.gz KRAAWMGUVQAPDF-IBGZPJMESA-N 1 3 345.487 1.979 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)C2)c1 ZINC001016322719 709216342 /nfs/dbraw/zinc/21/63/42/709216342.db2.gz KRAAWMGUVQAPDF-IBGZPJMESA-N 1 3 345.487 1.979 20 0 EDADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CCOC)C1 ZINC001034011979 709225199 /nfs/dbraw/zinc/22/51/99/709225199.db2.gz LBGSYAQMRZEEOC-SFHVURJKSA-N 1 3 337.508 1.678 20 0 EDADHO CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1)OC ZINC001002793669 709401790 /nfs/dbraw/zinc/40/17/90/709401790.db2.gz ZBPNVKOFGNJMLN-IRXDYDNUSA-N 1 3 325.497 1.865 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034361742 709876673 /nfs/dbraw/zinc/87/66/73/709876673.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001034361742 709876678 /nfs/dbraw/zinc/87/66/78/709876678.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 1 3 337.508 1.747 20 0 EDADHO Cc1cc(C)n(CCN2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525460 710175691 /nfs/dbraw/zinc/17/56/91/710175691.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 1 3 347.507 1.422 20 0 EDADHO Cc1cc(C)n(CCN2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525460 710175693 /nfs/dbraw/zinc/17/56/93/710175693.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 1 3 347.507 1.422 20 0 EDADHO C[C@H](F)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332023 710256342 /nfs/dbraw/zinc/25/63/42/710256342.db2.gz JUXLSUHKQVAAEG-QBPRILJRSA-N 1 3 339.455 1.178 20 0 EDADHO C[C@H](F)CC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332014 710256398 /nfs/dbraw/zinc/25/63/98/710256398.db2.gz JUXLSUHKQVAAEG-DFFOAJLQSA-N 1 3 339.455 1.178 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375378 710293520 /nfs/dbraw/zinc/29/35/20/710293520.db2.gz NOSZFHZZHZBNMF-SFHVURJKSA-N 1 3 345.491 1.338 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647528 710324090 /nfs/dbraw/zinc/32/40/90/710324090.db2.gz KAFPXZVPBFAQSC-WRQOLXDDSA-N 1 3 345.491 1.895 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647528 710324093 /nfs/dbraw/zinc/32/40/93/710324093.db2.gz KAFPXZVPBFAQSC-WRQOLXDDSA-N 1 3 345.491 1.895 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](CC2CCOCC2)CC1)N1CCCC1 ZINC001003423348 710338684 /nfs/dbraw/zinc/33/86/84/710338684.db2.gz FSIFJSWCJPHLNS-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001003625398 710454576 /nfs/dbraw/zinc/45/45/76/710454576.db2.gz FTWRLTAXHLOCQC-CYBMUJFWSA-N 1 3 329.435 1.954 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738822 710931615 /nfs/dbraw/zinc/93/16/15/710931615.db2.gz VQQQFOWWMIQCDH-MIGQKNRLSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034738822 710931620 /nfs/dbraw/zinc/93/16/20/710931620.db2.gz VQQQFOWWMIQCDH-MIGQKNRLSA-N 1 3 334.464 1.698 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2cnns2)CC1)C12CC[NH+](CC1)C2 ZINC001034778360 711079459 /nfs/dbraw/zinc/07/94/59/711079459.db2.gz RPYGORXIISBQDH-JOCQHMNTSA-N 1 3 335.477 1.151 20 0 EDADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740775 711275007 /nfs/dbraw/zinc/27/50/07/711275007.db2.gz JBUQPEUSQCGWSF-LOPSVYGOSA-N 1 3 349.519 1.819 20 0 EDADHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001034881909 711282598 /nfs/dbraw/zinc/28/25/98/711282598.db2.gz PFPAJFSREMYZJM-SJLPKXTDSA-N 1 3 331.460 1.870 20 0 EDADHO O=C(CCc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001034957138 711428527 /nfs/dbraw/zinc/42/85/27/711428527.db2.gz YXAQKLWROBJTGP-QGZVFWFLSA-N 1 3 342.447 1.266 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)C1 ZINC001034958884 711432686 /nfs/dbraw/zinc/43/26/86/711432686.db2.gz NPJQJTAGGPGSPJ-QZTJIDSGSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)C1 ZINC001034958884 711432688 /nfs/dbraw/zinc/43/26/88/711432688.db2.gz NPJQJTAGGPGSPJ-QZTJIDSGSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCC3)C2 ZINC000922387293 711450348 /nfs/dbraw/zinc/45/03/48/711450348.db2.gz UBVCNNHRXGRRPN-NXWXRZEISA-N 1 3 332.492 1.478 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCC3)C2 ZINC000922387293 711450351 /nfs/dbraw/zinc/45/03/51/711450351.db2.gz UBVCNNHRXGRRPN-NXWXRZEISA-N 1 3 332.492 1.478 20 0 EDADHO CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582350 712015339 /nfs/dbraw/zinc/01/53/39/712015339.db2.gz VGIWIZBIMRVISZ-RHSMWYFYSA-N 1 3 334.464 1.690 20 0 EDADHO CO[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004582350 712015341 /nfs/dbraw/zinc/01/53/41/712015341.db2.gz VGIWIZBIMRVISZ-RHSMWYFYSA-N 1 3 334.464 1.690 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2CC1)N(C)C ZINC000946642882 712129112 /nfs/dbraw/zinc/12/91/12/712129112.db2.gz TUOSUJDPAJOBNX-FGTMMUONSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1)N(C)C ZINC000946642882 712129114 /nfs/dbraw/zinc/12/91/14/712129114.db2.gz TUOSUJDPAJOBNX-FGTMMUONSA-N 1 3 347.507 1.431 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000448600134 282100793 /nfs/dbraw/zinc/10/07/93/282100793.db2.gz CZTNOMLAABQIIG-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000448600134 282100794 /nfs/dbraw/zinc/10/07/94/282100794.db2.gz CZTNOMLAABQIIG-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557843016 306234535 /nfs/dbraw/zinc/23/45/35/306234535.db2.gz FFBKDJZTGYYKAY-KSTDHSDQSA-N 1 3 336.480 1.465 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1 ZINC000338593589 282238481 /nfs/dbraw/zinc/23/84/81/282238481.db2.gz TXQWSZGZRVSQSP-CVEARBPZSA-N 1 3 346.475 1.052 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000441462377 305222308 /nfs/dbraw/zinc/22/23/08/305222308.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000441462377 305222309 /nfs/dbraw/zinc/22/23/09/305222309.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000441462377 305222310 /nfs/dbraw/zinc/22/23/10/305222310.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000441462377 305222311 /nfs/dbraw/zinc/22/23/11/305222311.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056112 /nfs/dbraw/zinc/05/61/12/540056112.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056114 /nfs/dbraw/zinc/05/61/14/540056114.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056118 /nfs/dbraw/zinc/05/61/18/540056118.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 1 3 341.540 1.824 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000563454391 306334363 /nfs/dbraw/zinc/33/43/63/306334363.db2.gz QWFBANVAHXCUMZ-SQNIBIBYSA-N 1 3 328.460 1.512 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCSCC3)CC2)CC1 ZINC000051759907 138135631 /nfs/dbraw/zinc/13/56/31/138135631.db2.gz MHLVOIQCHWQBNW-UHFFFAOYSA-N 1 3 340.537 1.694 20 0 EDADHO Cc1nc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000124426323 138326721 /nfs/dbraw/zinc/32/67/21/138326721.db2.gz OEQABGXIQMVQIQ-UHFFFAOYSA-N 1 3 336.505 1.669 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000563725741 306346117 /nfs/dbraw/zinc/34/61/17/306346117.db2.gz YVNAEJICZROVCK-UHFFFAOYSA-N 1 3 332.448 1.274 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000564560225 306360626 /nfs/dbraw/zinc/36/06/26/306360626.db2.gz WVORYCMUHPILMV-OAUYIBNBSA-N 1 3 337.489 1.633 20 0 EDADHO CCN1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847584 304081034 /nfs/dbraw/zinc/08/10/34/304081034.db2.gz VEPLECQSYQAADB-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO C[N@H+](C[C@@H](O)CNC[C@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723744 306363642 /nfs/dbraw/zinc/36/36/42/306363642.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 1 3 349.544 1.649 20 0 EDADHO C[N@@H+](C[C@@H](O)CNC[C@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723744 306363643 /nfs/dbraw/zinc/36/36/43/306363643.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 1 3 349.544 1.649 20 0 EDADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)C1CC1 ZINC000564723744 306363644 /nfs/dbraw/zinc/36/36/44/306363644.db2.gz QSWUYIYPXNQWSC-OALUTQOASA-N 1 3 349.544 1.649 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367156 /nfs/dbraw/zinc/36/71/56/306367156.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 1 3 341.540 1.701 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564847264 306367157 /nfs/dbraw/zinc/36/71/57/306367157.db2.gz LCWZNTMSPWAXSY-FCGDIQPGSA-N 1 3 341.540 1.701 20 0 EDADHO NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000564870287 306367904 /nfs/dbraw/zinc/36/79/04/306367904.db2.gz ZTZNKHRNLHKLHS-MRXNPFEDSA-N 1 3 332.448 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564870287 306367905 /nfs/dbraw/zinc/36/79/05/306367905.db2.gz ZTZNKHRNLHKLHS-MRXNPFEDSA-N 1 3 332.448 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000564870287 306367906 /nfs/dbraw/zinc/36/79/06/306367906.db2.gz ZTZNKHRNLHKLHS-MRXNPFEDSA-N 1 3 332.448 1.463 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000565575990 306386611 /nfs/dbraw/zinc/38/66/11/306386611.db2.gz QOWMIYCQTXUERO-ICSRJNTNSA-N 1 3 345.487 1.566 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000565704439 306388965 /nfs/dbraw/zinc/38/89/65/306388965.db2.gz FRNCYFYCAKEZKC-ZSGPHXLJSA-N 1 3 328.460 1.729 20 0 EDADHO Cc1ccc(CCC[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414477786 304117949 /nfs/dbraw/zinc/11/79/49/304117949.db2.gz CJJHPTNNQHHXOU-UHFFFAOYSA-N 1 3 346.519 1.709 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000414696545 304128928 /nfs/dbraw/zinc/12/89/28/304128928.db2.gz GKMJEUFPAFGKGR-KGLIPLIRSA-N 1 3 332.448 1.493 20 0 EDADHO COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414696636 304128879 /nfs/dbraw/zinc/12/88/79/304128879.db2.gz GSORGXLIPYFITA-HNNXBMFYSA-N 1 3 333.432 1.102 20 0 EDADHO COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414696636 304128880 /nfs/dbraw/zinc/12/88/80/304128880.db2.gz GSORGXLIPYFITA-HNNXBMFYSA-N 1 3 333.432 1.102 20 0 EDADHO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698484 304129323 /nfs/dbraw/zinc/12/93/23/304129323.db2.gz RAKOEOSBAUXICF-ZFWWWQNUSA-N 1 3 336.505 1.958 20 0 EDADHO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1)CCC2 ZINC000414698484 304129325 /nfs/dbraw/zinc/12/93/25/304129325.db2.gz RAKOEOSBAUXICF-ZFWWWQNUSA-N 1 3 336.505 1.958 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699112 304129547 /nfs/dbraw/zinc/12/95/47/304129547.db2.gz RRGDXXLPJPCXFM-HOCLYGCPSA-N 1 3 345.443 1.750 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699112 304129548 /nfs/dbraw/zinc/12/95/48/304129548.db2.gz RRGDXXLPJPCXFM-HOCLYGCPSA-N 1 3 345.443 1.750 20 0 EDADHO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706146 304130441 /nfs/dbraw/zinc/13/04/41/304130441.db2.gz KYONIAOVVPCKKY-RKVPGOIHSA-N 1 3 331.460 1.508 20 0 EDADHO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706146 304130442 /nfs/dbraw/zinc/13/04/42/304130442.db2.gz KYONIAOVVPCKKY-RKVPGOIHSA-N 1 3 331.460 1.508 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@H]1C ZINC000414705866 304130293 /nfs/dbraw/zinc/13/02/93/304130293.db2.gz NTWFWUIDHLHKDU-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000133031132 223383277 /nfs/dbraw/zinc/38/32/77/223383277.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000133031132 223383278 /nfs/dbraw/zinc/38/32/78/223383278.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000414732009 304134000 /nfs/dbraw/zinc/13/40/00/304134000.db2.gz FPKAWGWVCRPELO-KRWDZBQOSA-N 1 3 348.491 1.827 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CNCCCO2)c1 ZINC000415049283 304154578 /nfs/dbraw/zinc/15/45/78/304154578.db2.gz XSKGEENYJNHPCI-XJKSGUPXSA-N 1 3 349.431 1.158 20 0 EDADHO Cc1c(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)c(=O)n(-c2ccccc2)n1C ZINC000415057012 304155170 /nfs/dbraw/zinc/15/51/70/304155170.db2.gz RSWCYNLKLUAOLE-AUUYWEPGSA-N 1 3 328.460 1.901 20 0 EDADHO Cc1c(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c(=O)n(-c2ccccc2)n1C ZINC000415057012 304155171 /nfs/dbraw/zinc/15/51/71/304155171.db2.gz RSWCYNLKLUAOLE-AUUYWEPGSA-N 1 3 328.460 1.901 20 0 EDADHO Cc1c(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c(=O)n(-c2ccccc2)n1C ZINC000415057012 304155172 /nfs/dbraw/zinc/15/51/72/304155172.db2.gz RSWCYNLKLUAOLE-AUUYWEPGSA-N 1 3 328.460 1.901 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)c1 ZINC000415118298 304161493 /nfs/dbraw/zinc/16/14/93/304161493.db2.gz XXPYMKRLRBWXNJ-KRWDZBQOSA-N 1 3 344.459 1.431 20 0 EDADHO Cc1ccccc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140008 304163515 /nfs/dbraw/zinc/16/35/15/304163515.db2.gz MOAWIMNXBFHCQX-MSOLQXFVSA-N 1 3 328.460 1.715 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000195522350 139019903 /nfs/dbraw/zinc/01/99/03/139019903.db2.gz IVIKWCAAXMGHSF-UHFFFAOYSA-N 1 3 329.492 1.991 20 0 EDADHO CCCN1CCC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000236793621 139031595 /nfs/dbraw/zinc/03/15/95/139031595.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 1 3 331.504 1.870 20 0 EDADHO CCC[NH+]1CCC(NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000236793621 139031596 /nfs/dbraw/zinc/03/15/96/139031596.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 1 3 331.504 1.870 20 0 EDADHO C[C@H](CCNC(=O)CNC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000237456577 139051635 /nfs/dbraw/zinc/05/16/35/139051635.db2.gz VUTKWFXUWBEWFX-SJLPKXTDSA-N 1 3 333.476 1.782 20 0 EDADHO C[C@H](CCNC(=O)CNC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000237456577 139051636 /nfs/dbraw/zinc/05/16/36/139051636.db2.gz VUTKWFXUWBEWFX-SJLPKXTDSA-N 1 3 333.476 1.782 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)[C@H]1C ZINC000415215940 304175562 /nfs/dbraw/zinc/17/55/62/304175562.db2.gz INDUOXMFXXEWCS-RHSMWYFYSA-N 1 3 344.459 1.430 20 0 EDADHO [NH3+]CC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000237798098 139060588 /nfs/dbraw/zinc/06/05/88/139060588.db2.gz ZBWFPWYNKUXKNN-UHFFFAOYSA-N 1 3 330.476 1.396 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000111838003 220203399 /nfs/dbraw/zinc/20/33/99/220203399.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000111838003 220203402 /nfs/dbraw/zinc/20/34/02/220203402.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000415239387 304177585 /nfs/dbraw/zinc/17/75/85/304177585.db2.gz ATCNOWDIHZXVNN-IFXJQAMLSA-N 1 3 344.459 1.589 20 0 EDADHO CN1CCN(CC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000567910436 306466366 /nfs/dbraw/zinc/46/63/66/306466366.db2.gz WRNCGAMFUSGLGN-ZWKOTPCHSA-N 1 3 336.524 1.380 20 0 EDADHO COC(=O)[C@@]1(C)CCN(C/C=C/C[N@@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246590385 139114083 /nfs/dbraw/zinc/11/40/83/139114083.db2.gz TVGLESDTEDHDFY-ZBKUBXTQSA-N 1 3 338.448 1.313 20 0 EDADHO COC(=O)[C@@]1(C)CCN(C/C=C/C[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246590385 139114084 /nfs/dbraw/zinc/11/40/84/139114084.db2.gz TVGLESDTEDHDFY-ZBKUBXTQSA-N 1 3 338.448 1.313 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@@H]1CCCN(C)C1 ZINC000246700946 139117903 /nfs/dbraw/zinc/11/79/03/139117903.db2.gz CULKCTTVDZGBCX-IAGOWNOFSA-N 1 3 344.459 1.543 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126114 /nfs/dbraw/zinc/12/61/14/139126114.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126115 /nfs/dbraw/zinc/12/61/15/139126115.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126116 /nfs/dbraw/zinc/12/61/16/139126116.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 1 3 331.504 1.726 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000362808964 296268787 /nfs/dbraw/zinc/26/87/87/296268787.db2.gz NADRUFBHTMLIBP-HOTGVXAUSA-N 1 3 331.464 1.508 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410777726 250374413 /nfs/dbraw/zinc/37/44/13/250374413.db2.gz WMKSZAHPPJMZRT-INIZCTEOSA-N 1 3 340.512 1.119 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC000261655745 139214995 /nfs/dbraw/zinc/21/49/95/139214995.db2.gz KCNOHYLMOAXKEM-HKUYNNGSSA-N 1 3 331.460 1.566 20 0 EDADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000261703188 139219128 /nfs/dbraw/zinc/21/91/28/139219128.db2.gz IGXWICYHNRZAHK-MRXNPFEDSA-N 1 3 338.839 1.438 20 0 EDADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000261703188 139219129 /nfs/dbraw/zinc/21/91/29/139219129.db2.gz IGXWICYHNRZAHK-MRXNPFEDSA-N 1 3 338.839 1.438 20 0 EDADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000261703188 139219130 /nfs/dbraw/zinc/21/91/30/139219130.db2.gz IGXWICYHNRZAHK-MRXNPFEDSA-N 1 3 338.839 1.438 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](N)C2CCOCC2)CC1 ZINC000261777139 139225021 /nfs/dbraw/zinc/22/50/21/139225021.db2.gz FZFLETHSDSRKKA-QGZVFWFLSA-N 1 3 341.496 1.090 20 0 EDADHO CCCOc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128113 139253302 /nfs/dbraw/zinc/25/33/02/139253302.db2.gz NLRCDNOFHSMDMH-QGZVFWFLSA-N 1 3 333.476 1.964 20 0 EDADHO c1nc(-c2ccncc2)sc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262119098 139252506 /nfs/dbraw/zinc/25/25/06/139252506.db2.gz LTHDUMICSGFEQB-HNNXBMFYSA-N 1 3 329.473 1.685 20 0 EDADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1cccs1 ZINC000262147745 139255208 /nfs/dbraw/zinc/25/52/08/139255208.db2.gz XHUYUQUJEATAAC-KNCOVGOOSA-N 1 3 337.489 1.754 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCNCC1)Cc1ccccc1 ZINC000417012881 251130047 /nfs/dbraw/zinc/13/00/47/251130047.db2.gz XVWDAZDQFFMZJW-GOSISDBHSA-N 1 3 332.492 1.944 20 0 EDADHO C[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)C1C[NH2+]C1 ZINC000262325625 139270397 /nfs/dbraw/zinc/27/03/97/139270397.db2.gz FZVGACWSTZZQMW-CQSZACIVSA-N 1 3 331.460 1.115 20 0 EDADHO COCCCN1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417436127 251172852 /nfs/dbraw/zinc/17/28/52/251172852.db2.gz CXKRQVPNBCWKNK-UHFFFAOYSA-N 1 3 326.485 1.448 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573696 251192324 /nfs/dbraw/zinc/19/23/24/251192324.db2.gz XPIIASUQSRYBMT-PBHICJAKSA-N 1 3 334.464 1.616 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000417749744 251254578 /nfs/dbraw/zinc/25/45/78/251254578.db2.gz JNKHWWXMTOEFSA-WBVHZDCISA-N 1 3 339.528 1.077 20 0 EDADHO COCC1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[NH2+]CC1 ZINC000262448484 139279783 /nfs/dbraw/zinc/27/97/83/139279783.db2.gz ZGDPDAFRYOWADI-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825764 251287096 /nfs/dbraw/zinc/28/70/96/251287096.db2.gz NMCWUKIECBIEQT-FHLIZLRMSA-N 1 3 330.476 1.934 20 0 EDADHO COCC1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CC[NH2+]CC1 ZINC000418109788 251325254 /nfs/dbraw/zinc/32/52/54/251325254.db2.gz DCOGPHCRLBRSHJ-INIZCTEOSA-N 1 3 338.496 1.319 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123442 251334215 /nfs/dbraw/zinc/33/42/15/251334215.db2.gz YWVTZZZYLAYOOH-OAHLLOKOSA-N 1 3 326.485 1.176 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418193016 251352729 /nfs/dbraw/zinc/35/27/29/251352729.db2.gz MXKCKXOFTSCJIT-HOCLYGCPSA-N 1 3 349.479 1.339 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418319230 251359889 /nfs/dbraw/zinc/35/98/89/251359889.db2.gz OOQFEWPNQMTQDN-WMLDXEAASA-N 1 3 334.464 1.597 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415587998 304233795 /nfs/dbraw/zinc/23/37/95/304233795.db2.gz ZLZKRIBXRKRZLZ-HIFRSBDPSA-N 1 3 332.448 1.191 20 0 EDADHO C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC(C)CC1 ZINC000423357499 252052230 /nfs/dbraw/zinc/05/22/30/252052230.db2.gz MCXPWOKTHCEERK-RDJZCZTQSA-N 1 3 333.480 1.658 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000423841746 252089135 /nfs/dbraw/zinc/08/91/35/252089135.db2.gz MGZQKPFHMISDHI-SFHVURJKSA-N 1 3 333.476 1.688 20 0 EDADHO CO[C@@H](CN)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423858467 252093944 /nfs/dbraw/zinc/09/39/44/252093944.db2.gz ZQEPUTHBCIFSLC-KRWDZBQOSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@@H](CN)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423858467 252093948 /nfs/dbraw/zinc/09/39/48/252093948.db2.gz ZQEPUTHBCIFSLC-KRWDZBQOSA-N 1 3 331.460 1.475 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)C2)nn1 ZINC000424013936 252114360 /nfs/dbraw/zinc/11/43/60/252114360.db2.gz LBWKHFILTZAFOM-HOTGVXAUSA-N 1 3 334.468 1.198 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000423793632 252077220 /nfs/dbraw/zinc/07/72/20/252077220.db2.gz IWJBAWFOQBUGEX-BPQIPLTHSA-N 1 3 330.476 1.750 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000423801329 252080518 /nfs/dbraw/zinc/08/05/18/252080518.db2.gz SUUOFCFXARXVEQ-SQNIBIBYSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284248 252190269 /nfs/dbraw/zinc/19/02/69/252190269.db2.gz DFZRAPBMDMXGPU-HNNXBMFYSA-N 1 3 333.451 1.948 20 0 EDADHO COCCN(C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000263719895 139355557 /nfs/dbraw/zinc/35/55/57/139355557.db2.gz FMTRTCLIPZHXNO-UHFFFAOYSA-N 1 3 333.476 1.981 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000487556064 255032794 /nfs/dbraw/zinc/03/27/94/255032794.db2.gz VRGZJEHPIXKARB-IRXDYDNUSA-N 1 3 335.517 1.618 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827209 255036888 /nfs/dbraw/zinc/03/68/88/255036888.db2.gz ZAHZWMGOOYPBRT-NBOOPKSLSA-N 1 3 334.508 1.842 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000487827209 255036890 /nfs/dbraw/zinc/03/68/90/255036890.db2.gz ZAHZWMGOOYPBRT-NBOOPKSLSA-N 1 3 334.508 1.842 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCCN1CCN(c2ccncc2)CC1 ZINC000494698751 255258688 /nfs/dbraw/zinc/25/86/88/255258688.db2.gz KRMQPSKIBGPMGZ-KRWDZBQOSA-N 1 3 345.491 1.242 20 0 EDADHO O=C1O[C@@]2(CN1CN1CC[C@@H](C[NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000496007081 255340571 /nfs/dbraw/zinc/34/05/71/255340571.db2.gz ACKVXMKJJNJPJK-QFBILLFUSA-N 1 3 348.491 1.278 20 0 EDADHO CC(C)N(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C(C)C ZINC000496259945 255371814 /nfs/dbraw/zinc/37/18/14/255371814.db2.gz BTEABOVJYZRCDJ-UHFFFAOYSA-N 1 3 329.489 1.744 20 0 EDADHO CN(C)CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000154801977 224307775 /nfs/dbraw/zinc/30/77/75/224307775.db2.gz MPIDCMGUWBQIAZ-UHFFFAOYSA-N 1 3 346.475 1.631 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000264280872 139393228 /nfs/dbraw/zinc/39/32/28/139393228.db2.gz RNXDVYYSOFRSKK-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000571183119 306560309 /nfs/dbraw/zinc/56/03/09/306560309.db2.gz NBYOTOVPEIMFLQ-WMZOPIPTSA-N 1 3 346.475 1.883 20 0 EDADHO N[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)c2ccccc21 ZINC000333290136 141293616 /nfs/dbraw/zinc/29/36/16/141293616.db2.gz OMTIGUUNTKLDME-QZTJIDSGSA-N 1 3 331.460 1.602 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333811932 141385882 /nfs/dbraw/zinc/38/58/82/141385882.db2.gz FVRLYTIWEVSDTA-NJAFHUGGSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333833157 141390571 /nfs/dbraw/zinc/39/05/71/141390571.db2.gz JTVFSHRVMRIWKU-SZMVWBNQSA-N 1 3 337.508 1.852 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000345100068 143050440 /nfs/dbraw/zinc/05/04/40/143050440.db2.gz FSKJXZDJVMUXHQ-INMHGKMJSA-N 1 3 340.537 1.692 20 0 EDADHO C[C@@H](Cn1cccn1)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000345183428 143061975 /nfs/dbraw/zinc/06/19/75/143061975.db2.gz KDVVZLYWBMKOEY-WMZOPIPTSA-N 1 3 343.475 1.150 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209064 143064730 /nfs/dbraw/zinc/06/47/30/143064730.db2.gz KKWVOZCMTYZLND-FUHWJXTLSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209064 143064731 /nfs/dbraw/zinc/06/47/31/143064731.db2.gz KKWVOZCMTYZLND-FUHWJXTLSA-N 1 3 345.487 1.327 20 0 EDADHO CC(C)(CNC(=O)[C@@H]([NH3+])CC(F)F)N1CCc2ccccc2C1 ZINC000345686278 143121326 /nfs/dbraw/zinc/12/13/26/143121326.db2.gz AHZRBIXPUGABAJ-AWEZNQCLSA-N 1 3 325.403 1.922 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N(C)CC2CC2)[C@H](C)C1 ZINC000346621027 143222897 /nfs/dbraw/zinc/22/28/97/143222897.db2.gz SGBUSGQOAVVOEE-NVXWUHKLSA-N 1 3 325.497 1.581 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842855 304351075 /nfs/dbraw/zinc/35/10/75/304351075.db2.gz NRTVYDBHRGLNRL-FGTMMUONSA-N 1 3 346.475 1.409 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N2CCCC2)c1 ZINC000416857689 304352368 /nfs/dbraw/zinc/35/23/68/304352368.db2.gz SEIVUFJZDBNOEM-MRXNPFEDSA-N 1 3 334.464 1.869 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400706 150253976 /nfs/dbraw/zinc/25/39/76/150253976.db2.gz UBYXLGHBUANSHA-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417050401 304367068 /nfs/dbraw/zinc/36/70/68/304367068.db2.gz WXWYEALGMIBYOI-SJORKVTESA-N 1 3 339.528 1.315 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCN(C)CC1 ZINC000358140996 151285484 /nfs/dbraw/zinc/28/54/84/151285484.db2.gz POOHZUTYQJWGJU-AWEZNQCLSA-N 1 3 330.542 1.842 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CCN(C)CC1 ZINC000358140996 151285485 /nfs/dbraw/zinc/28/54/85/151285485.db2.gz POOHZUTYQJWGJU-AWEZNQCLSA-N 1 3 330.542 1.842 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358235722 151314485 /nfs/dbraw/zinc/31/44/85/151314485.db2.gz NNJHZFVIMRQJOP-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000358271128 151322402 /nfs/dbraw/zinc/32/24/02/151322402.db2.gz DWTRGHQUTJEUTO-GOSISDBHSA-N 1 3 344.459 1.613 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000358270032 151322853 /nfs/dbraw/zinc/32/28/53/151322853.db2.gz VFYBONLYUDZHIS-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358303482 151331981 /nfs/dbraw/zinc/33/19/81/151331981.db2.gz TXYNKRZVJCNYGJ-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CCN(C)CC1 ZINC000358303482 151331984 /nfs/dbraw/zinc/33/19/84/151331984.db2.gz TXYNKRZVJCNYGJ-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506375 151398589 /nfs/dbraw/zinc/39/85/89/151398589.db2.gz JSRICOXQSRNNRU-OAHLLOKOSA-N 1 3 333.451 1.948 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCc1c(F)cccc1F ZINC000358504867 151398669 /nfs/dbraw/zinc/39/86/69/151398669.db2.gz JERVMTQJZAWBRB-UHFFFAOYSA-N 1 3 337.414 1.699 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CCN(C)CC1 ZINC000360694195 152157230 /nfs/dbraw/zinc/15/72/30/152157230.db2.gz MAARIYCMEBCIII-KBPBESRZSA-N 1 3 328.526 1.405 20 0 EDADHO CSC1(CNC(=O)N2CCN3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000360694707 152157510 /nfs/dbraw/zinc/15/75/10/152157510.db2.gz MWPVBQWBMIXMBW-AWEZNQCLSA-N 1 3 326.510 1.303 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000360743691 152180385 /nfs/dbraw/zinc/18/03/85/152180385.db2.gz FYCHPTGPIJPVSQ-FMKPAKJESA-N 1 3 328.526 1.548 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000360743691 152180389 /nfs/dbraw/zinc/18/03/89/152180389.db2.gz FYCHPTGPIJPVSQ-FMKPAKJESA-N 1 3 328.526 1.548 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742689 152180997 /nfs/dbraw/zinc/18/09/97/152180997.db2.gz ADLBRACKZFNQOV-BFYDXBDKSA-N 1 3 340.537 1.692 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742689 152181000 /nfs/dbraw/zinc/18/10/00/152181000.db2.gz ADLBRACKZFNQOV-BFYDXBDKSA-N 1 3 340.537 1.692 20 0 EDADHO [NH3+]CCCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417157152 304378808 /nfs/dbraw/zinc/37/88/08/304378808.db2.gz ULJPIGNWAIHWLM-UHFFFAOYSA-N 1 3 333.480 1.237 20 0 EDADHO C[C@@H]1CN(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCO1 ZINC000367253004 154055870 /nfs/dbraw/zinc/05/58/70/154055870.db2.gz SLWYVSQJFLSDFO-GOSISDBHSA-N 1 3 338.540 1.057 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000369493204 155057533 /nfs/dbraw/zinc/05/75/33/155057533.db2.gz YEPZJNIWXHDNNY-KDURUIRLSA-N 1 3 327.472 1.919 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC000369493204 155057536 /nfs/dbraw/zinc/05/75/36/155057536.db2.gz YEPZJNIWXHDNNY-KDURUIRLSA-N 1 3 327.472 1.919 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CCCCC2)C1 ZINC000369559722 155087702 /nfs/dbraw/zinc/08/77/02/155087702.db2.gz HXBFYQTVZOYWRL-DLBZAZTESA-N 1 3 345.491 1.898 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458439811 292335825 /nfs/dbraw/zinc/33/58/25/292335825.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 1 3 326.485 1.082 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458439811 292335827 /nfs/dbraw/zinc/33/58/27/292335827.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 1 3 326.485 1.082 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000417529744 304403732 /nfs/dbraw/zinc/40/37/32/304403732.db2.gz RIAQORLWUQSLBK-QGZVFWFLSA-N 1 3 348.491 1.468 20 0 EDADHO COCCCN1CCCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000371762238 292351604 /nfs/dbraw/zinc/35/16/04/292351604.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO COCCCN1CCCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000371762238 292351605 /nfs/dbraw/zinc/35/16/05/292351605.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585137 157336944 /nfs/dbraw/zinc/33/69/44/157336944.db2.gz NXEKBDBKBGXBHJ-AITUJVMLSA-N 1 3 345.487 1.862 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378187659 158103141 /nfs/dbraw/zinc/10/31/41/158103141.db2.gz OHVRZKQZSYPELR-HZPDHXFCSA-N 1 3 333.480 1.568 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174937 /nfs/dbraw/zinc/17/49/37/162174937.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 1 3 344.459 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174938 /nfs/dbraw/zinc/17/49/38/162174938.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 1 3 344.459 1.286 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000111735490 287338125 /nfs/dbraw/zinc/33/81/25/287338125.db2.gz RRPPIFQEHCDOKC-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000111735490 287338128 /nfs/dbraw/zinc/33/81/28/287338128.db2.gz RRPPIFQEHCDOKC-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CCOc1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000112293328 287340336 /nfs/dbraw/zinc/34/03/36/287340336.db2.gz BUWASEZEXBOPHX-UHFFFAOYSA-N 1 3 342.871 1.699 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C2CC2)cs1 ZINC000123234376 287386409 /nfs/dbraw/zinc/38/64/09/287386409.db2.gz DQMQZQOFXOAVDZ-UHFFFAOYSA-N 1 3 339.509 1.655 20 0 EDADHO CC(C)CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665759638 452325926 /nfs/dbraw/zinc/32/59/26/452325926.db2.gz LPHSQQAELYLUSK-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665759638 452325941 /nfs/dbraw/zinc/32/59/41/452325941.db2.gz LPHSQQAELYLUSK-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000665759251 452327128 /nfs/dbraw/zinc/32/71/28/452327128.db2.gz AXWKYOXLDYXROV-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000665759251 452327132 /nfs/dbraw/zinc/32/71/32/452327132.db2.gz AXWKYOXLDYXROV-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000665758987 452328634 /nfs/dbraw/zinc/32/86/34/452328634.db2.gz WFQUQLOBKQVYGX-KKUMJFAQSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000665758987 452328646 /nfs/dbraw/zinc/32/86/46/452328646.db2.gz WFQUQLOBKQVYGX-KKUMJFAQSA-N 1 3 330.542 1.794 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@](C)(O)CN(C)C)CC1 ZINC000130191259 287488228 /nfs/dbraw/zinc/48/82/28/287488228.db2.gz YWFDPLYIZLBODY-GOSISDBHSA-N 1 3 342.528 1.356 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418471075 304499813 /nfs/dbraw/zinc/49/98/13/304499813.db2.gz LVPQPWMUSNZTDT-LBPRGKRZSA-N 1 3 328.407 1.633 20 0 EDADHO CC1(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000193363080 272991628 /nfs/dbraw/zinc/99/16/28/272991628.db2.gz VJSIBUNKMNENAE-UHFFFAOYSA-N 1 3 344.503 1.847 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000275543911 268358364 /nfs/dbraw/zinc/35/83/64/268358364.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 1 3 336.432 1.096 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCN(C)C2)cc1 ZINC000275543911 268358366 /nfs/dbraw/zinc/35/83/66/268358366.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 1 3 336.432 1.096 20 0 EDADHO C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(OCC[NH+](C)C)cc1 ZINC000282793550 273719371 /nfs/dbraw/zinc/71/93/71/273719371.db2.gz QIURTALTPISFAR-KGLIPLIRSA-N 1 3 325.428 1.752 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349820 /nfs/dbraw/zinc/34/98/20/274349820.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 1 3 345.487 1.591 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349823 /nfs/dbraw/zinc/34/98/23/274349823.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 1 3 345.487 1.591 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356610628 276254331 /nfs/dbraw/zinc/25/43/31/276254331.db2.gz UNUQLGKZWPILJN-MSOLQXFVSA-N 1 3 338.540 1.593 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356610628 276254332 /nfs/dbraw/zinc/25/43/32/276254332.db2.gz UNUQLGKZWPILJN-MSOLQXFVSA-N 1 3 338.540 1.593 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000246184011 277003119 /nfs/dbraw/zinc/00/31/19/277003119.db2.gz HNTJUXASFNNIDW-QGZVFWFLSA-N 1 3 344.503 1.914 20 0 EDADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000246184011 277003121 /nfs/dbraw/zinc/00/31/21/277003121.db2.gz HNTJUXASFNNIDW-QGZVFWFLSA-N 1 3 344.503 1.914 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878330 277112451 /nfs/dbraw/zinc/11/24/51/277112451.db2.gz IZKPRUOHNBDTPP-GBESFXJTSA-N 1 3 343.519 1.844 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000457891545 277150381 /nfs/dbraw/zinc/15/03/81/277150381.db2.gz BBBWISMGYIOXSL-INIZCTEOSA-N 1 3 340.512 1.395 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000367403188 277319933 /nfs/dbraw/zinc/31/99/33/277319933.db2.gz VVDXCSWIFUXCGG-GJZGRUSLSA-N 1 3 325.453 1.134 20 0 EDADHO CS(=O)(=O)CCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385924 277493608 /nfs/dbraw/zinc/49/36/08/277493608.db2.gz WYDLTJKVUJLFLC-RDJZCZTQSA-N 1 3 338.473 1.657 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373844660 279761822 /nfs/dbraw/zinc/76/18/22/279761822.db2.gz KSZKSKBCNLZGFV-INIZCTEOSA-N 1 3 332.452 1.324 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000418165907 280279088 /nfs/dbraw/zinc/27/90/88/280279088.db2.gz IREAXSYZFSCMFZ-OAHLLOKOSA-N 1 3 327.517 1.027 20 0 EDADHO CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292189188 289284558 /nfs/dbraw/zinc/28/45/58/289284558.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 1 3 334.460 1.853 20 0 EDADHO CCOc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292189188 289284559 /nfs/dbraw/zinc/28/45/59/289284559.db2.gz REJBMJGISCEHDL-QFBILLFUSA-N 1 3 334.460 1.853 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748774 289399542 /nfs/dbraw/zinc/39/95/42/289399542.db2.gz XRUSBEQIRBFURI-WBVHZDCISA-N 1 3 340.537 1.694 20 0 EDADHO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2CC=CC2)C1 ZINC000418627290 304520807 /nfs/dbraw/zinc/52/08/07/304520807.db2.gz AQXLOKNRXVZITQ-FUHWJXTLSA-N 1 3 326.444 1.529 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000422029034 447315692 /nfs/dbraw/zinc/31/56/92/447315692.db2.gz ZAWJBHHDBCNNNC-GOSISDBHSA-N 1 3 338.540 1.591 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000422028747 447316469 /nfs/dbraw/zinc/31/64/69/447316469.db2.gz XKGJOEXJHPFJPA-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000422028747 447316475 /nfs/dbraw/zinc/31/64/75/447316475.db2.gz XKGJOEXJHPFJPA-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372861259 447322619 /nfs/dbraw/zinc/32/26/19/447322619.db2.gz XEQXOFBFPANPAQ-GOSISDBHSA-N 1 3 348.466 1.106 20 0 EDADHO OC1CCN(CC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000294756214 303143607 /nfs/dbraw/zinc/14/36/07/303143607.db2.gz DPSSUSARUAZHIP-UHFFFAOYSA-N 1 3 331.504 1.740 20 0 EDADHO OC1CCN(CCNC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000294756214 303143610 /nfs/dbraw/zinc/14/36/10/303143610.db2.gz DPSSUSARUAZHIP-UHFFFAOYSA-N 1 3 331.504 1.740 20 0 EDADHO N=C1Nc2nc3ccccc3n2C2(CCN(c3cc[nH+]cc3)CC2)N1 ZINC000298768027 303554238 /nfs/dbraw/zinc/55/42/38/303554238.db2.gz DBOCBCDZPLIUQS-UHFFFAOYSA-N 1 3 333.399 1.934 20 0 EDADHO Fc1cc(CNCCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414862266 447333059 /nfs/dbraw/zinc/33/30/59/447333059.db2.gz HESQAPYJLHIVNA-UHFFFAOYSA-N 1 3 335.345 1.762 20 0 EDADHO CC(C)([NH3+])CNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000419679721 447342708 /nfs/dbraw/zinc/34/27/08/447342708.db2.gz PWVRKTYFHTVCIT-UHFFFAOYSA-N 1 3 338.496 1.002 20 0 EDADHO NC(=O)NC(=O)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768924 447347027 /nfs/dbraw/zinc/34/70/27/447347027.db2.gz SXRGJQWSRITYPB-CVEARBPZSA-N 1 3 330.432 1.025 20 0 EDADHO NC(=O)NC(=O)CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768924 447347033 /nfs/dbraw/zinc/34/70/33/447347033.db2.gz SXRGJQWSRITYPB-CVEARBPZSA-N 1 3 330.432 1.025 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000423740309 304907253 /nfs/dbraw/zinc/90/72/53/304907253.db2.gz WUTJFVRUMUKMRS-UHFFFAOYSA-N 1 3 341.459 1.340 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000424454878 304930233 /nfs/dbraw/zinc/93/02/33/304930233.db2.gz MNQKZHIPDVTRNT-HOCLYGCPSA-N 1 3 332.448 1.381 20 0 EDADHO COc1ccc(CN(C)C(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1F ZINC000430603583 305058179 /nfs/dbraw/zinc/05/81/79/305058179.db2.gz OALYLYCGBOXWIV-ZDUSSCGKSA-N 1 3 337.439 1.852 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COC1CNC1 ZINC000430804217 305064965 /nfs/dbraw/zinc/06/49/65/305064965.db2.gz CIZSTPPJTYNBLM-HUUCEWRRSA-N 1 3 331.460 1.248 20 0 EDADHO CCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430917179 305068003 /nfs/dbraw/zinc/06/80/03/305068003.db2.gz XTZYCIOMPZLUNP-QGZVFWFLSA-N 1 3 346.475 1.492 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385690 305107432 /nfs/dbraw/zinc/10/74/32/305107432.db2.gz YSKOEDCZGMVHQR-GJZGRUSLSA-N 1 3 348.495 1.443 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411717 305108330 /nfs/dbraw/zinc/10/83/30/305108330.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411717 305108331 /nfs/dbraw/zinc/10/83/31/305108331.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000447958078 305289594 /nfs/dbraw/zinc/28/95/94/305289594.db2.gz DMJLDTKLGNQOET-HNNXBMFYSA-N 1 3 340.512 1.517 20 0 EDADHO CNC(=O)C[C@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449606523 305315302 /nfs/dbraw/zinc/31/53/02/305315302.db2.gz YXZNHMAEVVUVSX-HNNXBMFYSA-N 1 3 332.492 1.831 20 0 EDADHO CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1(C)C ZINC000451505752 305349934 /nfs/dbraw/zinc/34/99/34/305349934.db2.gz RTOPBVIDLUIFGE-GVDBMIGSSA-N 1 3 333.476 1.809 20 0 EDADHO C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCCNC1 ZINC000515483327 305722742 /nfs/dbraw/zinc/72/27/42/305722742.db2.gz NBBBNKLFNINFST-RDJZCZTQSA-N 1 3 338.540 1.591 20 0 EDADHO [NH3+]C[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000519695355 305773065 /nfs/dbraw/zinc/77/30/65/305773065.db2.gz RKBCJDZOAFUPIE-OAHLLOKOSA-N 1 3 340.537 1.728 20 0 EDADHO CCN1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529283576 305906734 /nfs/dbraw/zinc/90/67/34/305906734.db2.gz PMUYYSABPDKQEX-KRWDZBQOSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996877 441329436 /nfs/dbraw/zinc/32/94/36/441329436.db2.gz AKBYXGXNBFCXJJ-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081996877 441329438 /nfs/dbraw/zinc/32/94/38/441329438.db2.gz AKBYXGXNBFCXJJ-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000065104939 441403349 /nfs/dbraw/zinc/40/33/49/441403349.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 1 3 344.503 1.648 20 0 EDADHO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000065104939 441403350 /nfs/dbraw/zinc/40/33/50/441403350.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 1 3 344.503 1.648 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000065542755 441456259 /nfs/dbraw/zinc/45/62/59/441456259.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 1 3 336.480 1.386 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000065542755 441456260 /nfs/dbraw/zinc/45/62/60/441456260.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 1 3 336.480 1.386 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCC1 ZINC000458655264 447440532 /nfs/dbraw/zinc/44/05/32/447440532.db2.gz LLXROGIDIRZWGE-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108554391 441462943 /nfs/dbraw/zinc/46/29/43/441462943.db2.gz ZGBDSEMVNBWITI-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108554391 441462946 /nfs/dbraw/zinc/46/29/46/441462946.db2.gz ZGBDSEMVNBWITI-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)CN1CCN(C)CC1 ZINC000114380006 441651549 /nfs/dbraw/zinc/65/15/49/441651549.db2.gz COTMECXPXRKCIR-MRXNPFEDSA-N 1 3 332.492 1.362 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@](C)(CO)C2CCCCC2)CC1 ZINC000077656302 441823336 /nfs/dbraw/zinc/82/33/36/441823336.db2.gz DXAWMENHQVCZHL-IBGZPJMESA-N 1 3 339.524 1.896 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549373 441829185 /nfs/dbraw/zinc/82/91/85/441829185.db2.gz MHAHFSZWTWBNHJ-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174252244 441906617 /nfs/dbraw/zinc/90/66/17/441906617.db2.gz FRZKJZASWULDFR-IAGOWNOFSA-N 1 3 338.496 1.225 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000093899449 441899261 /nfs/dbraw/zinc/89/92/61/441899261.db2.gz AWGRNSSDDYHYFA-MRXNPFEDSA-N 1 3 332.492 1.642 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000093899449 441899266 /nfs/dbraw/zinc/89/92/66/441899266.db2.gz AWGRNSSDDYHYFA-MRXNPFEDSA-N 1 3 332.492 1.642 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713165 441956239 /nfs/dbraw/zinc/95/62/39/441956239.db2.gz WFKKJCUIQKTOFA-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000458672510 447446650 /nfs/dbraw/zinc/44/66/50/447446650.db2.gz YOUADRXUWLQYDT-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1 ZINC000153401654 442280515 /nfs/dbraw/zinc/28/05/15/442280515.db2.gz SRNVYWYHOOKTGY-HDICACEKSA-N 1 3 344.503 1.798 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130636071 442352376 /nfs/dbraw/zinc/35/23/76/442352376.db2.gz JDNROCFKVBQADV-CEXWTWQISA-N 1 3 344.503 1.850 20 0 EDADHO COc1ccc(CCC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178966777 442540761 /nfs/dbraw/zinc/54/07/61/442540761.db2.gz MBEPXQBBOFFKKY-UHFFFAOYSA-N 1 3 345.487 1.772 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000179854543 442511965 /nfs/dbraw/zinc/51/19/65/442511965.db2.gz BREOGXJYGUKCHK-MDZRGWNJSA-N 1 3 347.503 1.874 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1cccc(OC)c1 ZINC000187896022 442696903 /nfs/dbraw/zinc/69/69/03/442696903.db2.gz UMLIPMQCGLZUPW-KSZLIROESA-N 1 3 349.475 1.571 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)C1 ZINC000187930299 442698050 /nfs/dbraw/zinc/69/80/50/442698050.db2.gz RAIFTENWROZCMK-GXTWGEPZSA-N 1 3 341.839 1.596 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000193737673 442775889 /nfs/dbraw/zinc/77/58/89/442775889.db2.gz SDNZYRFLFMFTRP-UHFFFAOYSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248748975 442923776 /nfs/dbraw/zinc/92/37/76/442923776.db2.gz GBDOCMFXDRYICI-FDPKGLCPSA-N 1 3 328.497 1.470 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOCCN1[C@@H](C)CC(O)C[C@@H]1C ZINC000248748975 442923780 /nfs/dbraw/zinc/92/37/80/442923780.db2.gz GBDOCMFXDRYICI-FDPKGLCPSA-N 1 3 328.497 1.470 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCOCCN1[C@@H](C)CC(O)C[C@@H]1C ZINC000248748975 442923784 /nfs/dbraw/zinc/92/37/84/442923784.db2.gz GBDOCMFXDRYICI-FDPKGLCPSA-N 1 3 328.497 1.470 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)[C@@H](C)C1 ZINC000249488938 442977875 /nfs/dbraw/zinc/97/78/75/442977875.db2.gz UWUFQPBSRYQQFA-BBWFWOEESA-N 1 3 327.513 1.968 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865578 443130191 /nfs/dbraw/zinc/13/01/91/443130191.db2.gz TWVOVGXMFNWICV-PBHICJAKSA-N 1 3 333.432 1.751 20 0 EDADHO COCCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261874463 443172579 /nfs/dbraw/zinc/17/25/79/443172579.db2.gz DLIGASFMGCAKBT-RCCFBDPRSA-N 1 3 334.460 1.959 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237508392 443174271 /nfs/dbraw/zinc/17/42/71/443174271.db2.gz BMQFVKLUUWUSAT-OWCLPIDISA-N 1 3 327.538 1.956 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237508392 443174277 /nfs/dbraw/zinc/17/42/77/443174277.db2.gz BMQFVKLUUWUSAT-OWCLPIDISA-N 1 3 327.538 1.956 20 0 EDADHO N[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163871 443184965 /nfs/dbraw/zinc/18/49/65/443184965.db2.gz YCHJYKAMDYOFJR-SJLPKXTDSA-N 1 3 337.508 1.855 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752248 319125117 /nfs/dbraw/zinc/12/51/17/319125117.db2.gz CSMHBHTXFIEARZ-KRWDZBQOSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH2+]CCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000269250869 443251008 /nfs/dbraw/zinc/25/10/08/443251008.db2.gz GUVJZKWXXPEGFC-UHFFFAOYSA-N 1 3 337.439 1.785 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000411555393 319184249 /nfs/dbraw/zinc/18/42/49/319184249.db2.gz GVMWAMSYDJVABL-SJORKVTESA-N 1 3 325.497 1.770 20 0 EDADHO COC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414189396 319318344 /nfs/dbraw/zinc/31/83/44/319318344.db2.gz JRHWHVHIMOSROE-SFHVURJKSA-N 1 3 339.524 1.578 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000414670765 319338803 /nfs/dbraw/zinc/33/88/03/319338803.db2.gz MRXTZPJODAVDIC-OAHLLOKOSA-N 1 3 334.439 1.145 20 0 EDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414670660 319338922 /nfs/dbraw/zinc/33/89/22/319338922.db2.gz DNTKHCJDISMUGE-MOPGFXCFSA-N 1 3 344.503 1.390 20 0 EDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414670660 319338923 /nfs/dbraw/zinc/33/89/23/319338923.db2.gz DNTKHCJDISMUGE-MOPGFXCFSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673029 319339441 /nfs/dbraw/zinc/33/94/41/319339441.db2.gz BKUDBAIYFDBVJA-IRXDYDNUSA-N 1 3 330.476 1.631 20 0 EDADHO C[NH2+]CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415308268 319360731 /nfs/dbraw/zinc/36/07/31/319360731.db2.gz PALNUAWDUGDCMS-UHFFFAOYSA-N 1 3 332.448 1.337 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415741219 319369208 /nfs/dbraw/zinc/36/92/08/319369208.db2.gz KMWFGSMKAAIDHK-CQSZACIVSA-N 1 3 334.464 1.629 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416815061 319463405 /nfs/dbraw/zinc/46/34/05/319463405.db2.gz VYODVVPUYOHKEZ-ZIAGYGMSSA-N 1 3 326.391 1.586 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418586533 319506356 /nfs/dbraw/zinc/50/63/56/319506356.db2.gz FUGCRAIDDIMNTJ-INIZCTEOSA-N 1 3 326.485 1.256 20 0 EDADHO CC(C)([NH3+])CNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419023098 319543584 /nfs/dbraw/zinc/54/35/84/319543584.db2.gz VREMZKZDYHNEKF-UHFFFAOYSA-N 1 3 346.475 1.142 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000264759631 443411611 /nfs/dbraw/zinc/41/16/11/443411611.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 1 3 336.480 1.384 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264759631 443411617 /nfs/dbraw/zinc/41/16/17/443411617.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 1 3 336.480 1.384 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278992339 443484134 /nfs/dbraw/zinc/48/41/34/443484134.db2.gz LEVFSOHPJSNQEM-CVEARBPZSA-N 1 3 341.459 1.389 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423422396 319774313 /nfs/dbraw/zinc/77/43/13/319774313.db2.gz CQHPVMGAMMFEIU-INIZCTEOSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC[C@H](O)C[NH+]1CCCC1 ZINC000274390146 443604738 /nfs/dbraw/zinc/60/47/38/443604738.db2.gz PAXDNCZIYRJFQH-GJZGRUSLSA-N 1 3 345.443 1.108 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000434865730 320005125 /nfs/dbraw/zinc/00/51/25/320005125.db2.gz SUBISXNTZAZSAX-INIZCTEOSA-N 1 3 349.500 1.677 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCSC1 ZINC000440261608 320067005 /nfs/dbraw/zinc/06/70/05/320067005.db2.gz UIHIEJZICPFEQI-WBVHZDCISA-N 1 3 325.522 1.947 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCSC1 ZINC000440261608 320067006 /nfs/dbraw/zinc/06/70/06/320067006.db2.gz UIHIEJZICPFEQI-WBVHZDCISA-N 1 3 325.522 1.947 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449366459 320184674 /nfs/dbraw/zinc/18/46/74/320184674.db2.gz WJDIGVNZEUTSKI-YFHUEUNASA-N 1 3 337.508 1.580 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740216 320203176 /nfs/dbraw/zinc/20/31/76/320203176.db2.gz FAXMTFGAGPSMDJ-NUJGCVRESA-N 1 3 331.435 1.858 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)[C@@H]1SC ZINC000459381231 320347913 /nfs/dbraw/zinc/34/79/13/320347913.db2.gz USUKYTOZFPOZTB-BBWFWOEESA-N 1 3 329.554 1.903 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000286261426 443678816 /nfs/dbraw/zinc/67/88/16/443678816.db2.gz VOLBXHZSOFBBLG-ZDUSSCGKSA-N 1 3 329.391 1.219 20 0 EDADHO CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548189869 320866850 /nfs/dbraw/zinc/86/68/50/320866850.db2.gz JLWMEWLIUQDHIS-IAGOWNOFSA-N 1 3 342.528 1.715 20 0 EDADHO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000562365075 321053871 /nfs/dbraw/zinc/05/38/71/321053871.db2.gz HCSGEVPKPOXMSX-DLBZAZTESA-N 1 3 331.460 1.400 20 0 EDADHO O[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)Cn1cccn1 ZINC000562993923 321086857 /nfs/dbraw/zinc/08/68/57/321086857.db2.gz RNOJSEUDTAVYLQ-SFHVURJKSA-N 1 3 344.459 1.508 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395798 321108345 /nfs/dbraw/zinc/10/83/45/321108345.db2.gz CEOCXWQCIITPHH-BEFAXECRSA-N 1 3 335.492 1.214 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395798 321108346 /nfs/dbraw/zinc/10/83/46/321108346.db2.gz CEOCXWQCIITPHH-BEFAXECRSA-N 1 3 335.492 1.214 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000568744929 321304392 /nfs/dbraw/zinc/30/43/92/321304392.db2.gz JXYHKJTYIHBVMR-HNNXBMFYSA-N 1 3 328.420 1.344 20 0 EDADHO COC(=O)c1ccc(F)c(CN(C)CCCN(C)CC[NH+](C)C)c1 ZINC000289357482 444117271 /nfs/dbraw/zinc/11/72/71/444117271.db2.gz GWTQJQKZNJQUJL-UHFFFAOYSA-N 1 3 339.455 1.928 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000570716105 321355322 /nfs/dbraw/zinc/35/53/22/321355322.db2.gz ZLZZHIPNTVTMQJ-GOSISDBHSA-N 1 3 332.492 1.563 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000571668889 321395862 /nfs/dbraw/zinc/39/58/62/321395862.db2.gz YWWWLOHPQOOJOF-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OC(F)F)c1 ZINC000572106424 321415207 /nfs/dbraw/zinc/41/52/07/321415207.db2.gz QMOLPTGAHXPSOS-UHFFFAOYSA-N 1 3 330.379 1.248 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)o1 ZINC000289392984 444128574 /nfs/dbraw/zinc/12/85/74/444128574.db2.gz FGCMNIGINGJDRA-OAHLLOKOSA-N 1 3 337.464 1.914 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)o1 ZINC000289392984 444128575 /nfs/dbraw/zinc/12/85/75/444128575.db2.gz FGCMNIGINGJDRA-OAHLLOKOSA-N 1 3 337.464 1.914 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CCC2 ZINC000289562577 444172833 /nfs/dbraw/zinc/17/28/33/444172833.db2.gz CTTRRBBYNZCILB-UGSOOPFHSA-N 1 3 349.500 1.785 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242565 444235461 /nfs/dbraw/zinc/23/54/61/444235461.db2.gz CEQZKSUDJDRNPC-HZPDHXFCSA-N 1 3 339.524 1.848 20 0 EDADHO CO[C@@H](CN)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000290116022 444244401 /nfs/dbraw/zinc/24/44/01/444244401.db2.gz KUJODKIMLKEEDC-IBGZPJMESA-N 1 3 347.503 1.811 20 0 EDADHO C[C@H](NC(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309812171 444290208 /nfs/dbraw/zinc/29/02/08/444290208.db2.gz WTQGUEIYIDHYHU-NWANDNLSSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@H](NC(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309812171 444290211 /nfs/dbraw/zinc/29/02/11/444290211.db2.gz WTQGUEIYIDHYHU-NWANDNLSSA-N 1 3 325.403 1.996 20 0 EDADHO COC[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851132 444293144 /nfs/dbraw/zinc/29/31/44/444293144.db2.gz OLABSKSGTLRVBE-QUCCMNQESA-N 1 3 345.487 1.641 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000323859984 444347662 /nfs/dbraw/zinc/34/76/62/444347662.db2.gz QZZRVTGUVBFXNH-LDDOYCOJSA-N 1 3 325.497 1.611 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)N1CCN(C)CC1 ZINC000326442130 444374562 /nfs/dbraw/zinc/37/45/62/444374562.db2.gz WUEZMBNOWAAMKK-QZTJIDSGSA-N 1 3 338.540 1.672 20 0 EDADHO CC[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCc2ccccc2C1 ZINC000337812837 444419528 /nfs/dbraw/zinc/41/95/28/444419528.db2.gz MJPHEMOISLMTMY-RBUKOAKNSA-N 1 3 345.487 1.693 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000580341005 322039921 /nfs/dbraw/zinc/03/99/21/322039921.db2.gz JGJHSVKYNALCJA-QLFBSQMISA-N 1 3 334.464 1.313 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000580341005 322039923 /nfs/dbraw/zinc/03/99/23/322039923.db2.gz JGJHSVKYNALCJA-QLFBSQMISA-N 1 3 334.464 1.313 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H]3CCOC3)CC2)CC1 ZINC000580344700 322040146 /nfs/dbraw/zinc/04/01/46/322040146.db2.gz QBJQDGIYCFFBND-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO CCN1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000333021012 444631162 /nfs/dbraw/zinc/63/11/62/444631162.db2.gz AAEJYNIEHDEDBJ-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO COCCN1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061033 444757639 /nfs/dbraw/zinc/75/76/39/444757639.db2.gz IHSIPMHTLKGNDF-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CCO[C@H]1C[C@@](CO)([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000337476488 445097563 /nfs/dbraw/zinc/09/75/63/445097563.db2.gz SKLATODKRCOMAY-HKUYNNGSSA-N 1 3 341.540 1.558 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343150506 445099444 /nfs/dbraw/zinc/09/94/44/445099444.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 1 3 336.524 1.249 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343150506 445099446 /nfs/dbraw/zinc/09/94/46/445099446.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 1 3 336.524 1.249 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000343176314 445117372 /nfs/dbraw/zinc/11/73/72/445117372.db2.gz ZXDVNLROUKYPBH-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000337650595 445187654 /nfs/dbraw/zinc/18/76/54/445187654.db2.gz KZKOUKLMVIEEPU-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000337650595 445187655 /nfs/dbraw/zinc/18/76/55/445187655.db2.gz KZKOUKLMVIEEPU-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229244 /nfs/dbraw/zinc/22/92/44/445229244.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229245 /nfs/dbraw/zinc/22/92/45/445229245.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229246 /nfs/dbraw/zinc/22/92/46/445229246.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229247 /nfs/dbraw/zinc/22/92/47/445229247.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 1 3 340.464 1.389 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C1CCN(CC2=CCCOC2)CC1 ZINC000348903973 445435690 /nfs/dbraw/zinc/43/56/90/445435690.db2.gz IXPHTNJTCBSSSP-UHFFFAOYSA-N 1 3 335.492 1.647 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355406570 445458435 /nfs/dbraw/zinc/45/84/35/445458435.db2.gz DQUJVXXFFKZSFQ-KZNAEPCWSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000355406570 445458438 /nfs/dbraw/zinc/45/84/38/445458438.db2.gz DQUJVXXFFKZSFQ-KZNAEPCWSA-N 1 3 336.524 1.488 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000352052212 445460431 /nfs/dbraw/zinc/46/04/31/445460431.db2.gz IZCZMSFGLCWIAI-IAGOWNOFSA-N 1 3 326.529 1.543 20 0 EDADHO O=C(CCOC1C[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000349055864 445489561 /nfs/dbraw/zinc/48/95/61/445489561.db2.gz PIFOPBZAGRUTED-CQSZACIVSA-N 1 3 337.489 1.455 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000352798013 445555525 /nfs/dbraw/zinc/55/55/25/445555525.db2.gz WYBGBTZZBKSXRV-QAPCUYQASA-N 1 3 334.508 1.288 20 0 EDADHO CSC1(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC[NH+](C)CC1 ZINC000357856898 445586940 /nfs/dbraw/zinc/58/69/40/445586940.db2.gz CFAJMZWGNLMWPR-KGLIPLIRSA-N 1 3 340.537 1.738 20 0 EDADHO COCC[N@H+](C)CCCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000360037554 445539696 /nfs/dbraw/zinc/53/96/96/445539696.db2.gz DHRLVKGVWYEBMQ-ICSRJNTNSA-N 1 3 349.519 1.834 20 0 EDADHO COCC[N@@H+](C)CCCN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000360037554 445539701 /nfs/dbraw/zinc/53/97/01/445539701.db2.gz DHRLVKGVWYEBMQ-ICSRJNTNSA-N 1 3 349.519 1.834 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN(CCOC(C)C)CC1)C(C)C ZINC000356109963 445626536 /nfs/dbraw/zinc/62/65/36/445626536.db2.gz AJKKXRDVADLQFJ-UHFFFAOYSA-N 1 3 342.528 1.905 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN(CCOC(C)C)CC1)C(C)C ZINC000356109963 445626539 /nfs/dbraw/zinc/62/65/39/445626539.db2.gz AJKKXRDVADLQFJ-UHFFFAOYSA-N 1 3 342.528 1.905 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514782 445626886 /nfs/dbraw/zinc/62/68/86/445626886.db2.gz AIBNWVANGNIHRE-NXHRZFHOSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@H](CN(C)C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514782 445626887 /nfs/dbraw/zinc/62/68/87/445626887.db2.gz AIBNWVANGNIHRE-NXHRZFHOSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000363010401 445648696 /nfs/dbraw/zinc/64/86/96/445648696.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[N@H+]1CCC[C@@H](C)C1 ZINC000363010401 445648703 /nfs/dbraw/zinc/64/87/03/445648703.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000356187927 445668333 /nfs/dbraw/zinc/66/83/33/445668333.db2.gz TXSVIVFBLIWOJB-MRXNPFEDSA-N 1 3 328.501 1.328 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCN(C)CC1 ZINC000360692694 445722710 /nfs/dbraw/zinc/72/27/10/445722710.db2.gz JKVPPHJFOAOKPY-HUUCEWRRSA-N 1 3 340.537 1.692 20 0 EDADHO CSC1(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CCN(C)CC1 ZINC000360692694 445722714 /nfs/dbraw/zinc/72/27/14/445722714.db2.gz JKVPPHJFOAOKPY-HUUCEWRRSA-N 1 3 340.537 1.692 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929661 445723816 /nfs/dbraw/zinc/72/38/16/445723816.db2.gz CKJCAXYRJSWUMJ-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000349929661 445723818 /nfs/dbraw/zinc/72/38/18/445723818.db2.gz CKJCAXYRJSWUMJ-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000363224183 445730084 /nfs/dbraw/zinc/73/00/84/445730084.db2.gz RNVRAGBOGCGQHA-KBAYOESNSA-N 1 3 332.492 1.994 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353967846 445833540 /nfs/dbraw/zinc/83/35/40/445833540.db2.gz TXWHXAKCGFUWRL-UHFFFAOYSA-N 1 3 349.479 1.654 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353967846 445833541 /nfs/dbraw/zinc/83/35/41/445833541.db2.gz TXWHXAKCGFUWRL-UHFFFAOYSA-N 1 3 349.479 1.654 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)NC2CCCC2)C1 ZINC000350261277 445803150 /nfs/dbraw/zinc/80/31/50/445803150.db2.gz XDVRIQZDTIAVIS-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846556 445806935 /nfs/dbraw/zinc/80/69/35/445806935.db2.gz KTOGAEATZCUESB-DOTOQJQBSA-N 1 3 325.497 1.412 20 0 EDADHO COCC1(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC[NH2+]CC1 ZINC000358859942 445815530 /nfs/dbraw/zinc/81/55/30/445815530.db2.gz DDKISAVKJHVCNM-UHFFFAOYSA-N 1 3 341.496 1.008 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(Cl)c1F ZINC000582212096 325798368 /nfs/dbraw/zinc/79/83/68/325798368.db2.gz SPAAMFFMJNPJLI-UHFFFAOYSA-N 1 3 329.847 1.973 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]2(CCOC)CC[NH2+]C2)N(C)C)cc1 ZINC000361723171 445899100 /nfs/dbraw/zinc/89/91/00/445899100.db2.gz LTQLDMNNAASYQA-ICSRJNTNSA-N 1 3 347.503 1.984 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1(C)C ZINC000364215961 445901293 /nfs/dbraw/zinc/90/12/93/445901293.db2.gz QSGYUZVYAOTLNO-MEXWJNSZSA-N 1 3 335.492 1.462 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1(C)C ZINC000364215961 445901296 /nfs/dbraw/zinc/90/12/96/445901296.db2.gz QSGYUZVYAOTLNO-MEXWJNSZSA-N 1 3 335.492 1.462 20 0 EDADHO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]nc2c1CNCC2 ZINC000372901828 445910952 /nfs/dbraw/zinc/91/09/52/445910952.db2.gz JNIRSPXEZUREMJ-CJNGLKHVSA-N 1 3 343.406 1.070 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000361804263 445958669 /nfs/dbraw/zinc/95/86/69/445958669.db2.gz PMJTVYJVYCGNHJ-GVDBMIGSSA-N 1 3 337.512 1.086 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000350980367 445964197 /nfs/dbraw/zinc/96/41/97/445964197.db2.gz HQPQPQMNKFWXDA-OAGGEKHMSA-N 1 3 340.512 1.070 20 0 EDADHO COCc1nc(C)cc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000364888753 445965506 /nfs/dbraw/zinc/96/55/06/445965506.db2.gz PGEQMZSWQNEPCV-INIZCTEOSA-N 1 3 333.480 1.536 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000582968262 325970651 /nfs/dbraw/zinc/97/06/51/325970651.db2.gz PPODITHPVPPKKH-HDICACEKSA-N 1 3 344.503 1.751 20 0 EDADHO COC[C@]1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]1 ZINC000584162509 326211653 /nfs/dbraw/zinc/21/16/53/326211653.db2.gz WHGQFKWIWIYSNY-FUHWJXTLSA-N 1 3 338.496 1.415 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000584292256 326237135 /nfs/dbraw/zinc/23/71/35/326237135.db2.gz ZPCVBRXGFNWRTP-HLLBOEOZSA-N 1 3 348.491 1.428 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000359266890 446104059 /nfs/dbraw/zinc/10/40/59/446104059.db2.gz UXOOJHDZNRLEAF-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000359266890 446104065 /nfs/dbraw/zinc/10/40/65/446104065.db2.gz UXOOJHDZNRLEAF-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1SC ZINC000362322208 446319262 /nfs/dbraw/zinc/31/92/62/446319262.db2.gz MCVNYWNBOZEBAD-XQLPTFJDSA-N 1 3 329.510 1.072 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1SC ZINC000362322208 446319265 /nfs/dbraw/zinc/31/92/65/446319265.db2.gz MCVNYWNBOZEBAD-XQLPTFJDSA-N 1 3 329.510 1.072 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417366461 446349779 /nfs/dbraw/zinc/34/97/79/446349779.db2.gz ORQUWTBRRRVOKP-INIZCTEOSA-N 1 3 348.491 1.816 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C[C@H]1C[NH3+] ZINC000417369394 446350090 /nfs/dbraw/zinc/35/00/90/446350090.db2.gz SBXNBBPXULCKLA-DOTOQJQBSA-N 1 3 348.491 1.753 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516592 446360576 /nfs/dbraw/zinc/36/05/76/446360576.db2.gz OBUFLGHXYJEEJI-QZTJIDSGSA-N 1 3 348.491 1.747 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417532392 446362912 /nfs/dbraw/zinc/36/29/12/446362912.db2.gz VVAJHZZVGFMJHO-QAPCUYQASA-N 1 3 348.491 1.609 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000417545789 446363723 /nfs/dbraw/zinc/36/37/23/446363723.db2.gz KOUUBWUWIYSGCY-KBPBESRZSA-N 1 3 326.485 1.268 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C)CN1 ZINC000417742152 446371581 /nfs/dbraw/zinc/37/15/81/446371581.db2.gz VTKGBRJFDCIPPX-CABCVRRESA-N 1 3 330.476 1.477 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099475 446440701 /nfs/dbraw/zinc/44/07/01/446440701.db2.gz NNUVMIXIXSFWDI-QGZVFWFLSA-N 1 3 347.507 1.981 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000418161370 446443280 /nfs/dbraw/zinc/44/32/80/446443280.db2.gz FADXVFWTIXTXGC-ZJIFWQFVSA-N 1 3 334.464 1.960 20 0 EDADHO CCS(=O)(=O)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184771 446448146 /nfs/dbraw/zinc/44/81/46/446448146.db2.gz NJEARGZDQJJLAZ-DOTOQJQBSA-N 1 3 338.473 1.657 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417967012 446402485 /nfs/dbraw/zinc/40/24/85/446402485.db2.gz JYLKBMDPUCFZAX-QGZVFWFLSA-N 1 3 331.464 1.691 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417974964 446405185 /nfs/dbraw/zinc/40/51/85/446405185.db2.gz DXHSXHVEWFDJCW-WBVHZDCISA-N 1 3 334.464 1.266 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017810 446417111 /nfs/dbraw/zinc/41/71/11/446417111.db2.gz UDTSIONBESNKNB-BGTYHANMSA-N 1 3 328.460 1.510 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000432488153 446474160 /nfs/dbraw/zinc/47/41/60/446474160.db2.gz CVKHGCLTYYLKFX-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418279145 446481797 /nfs/dbraw/zinc/48/17/97/446481797.db2.gz OHNYWSJJTRCICA-UHFFFAOYSA-N 1 3 332.492 1.946 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317189 446482000 /nfs/dbraw/zinc/48/20/00/446482000.db2.gz MPGFPCCJEQPVHL-QZTJIDSGSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317189 446482002 /nfs/dbraw/zinc/48/20/02/446482002.db2.gz MPGFPCCJEQPVHL-QZTJIDSGSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317189 446482004 /nfs/dbraw/zinc/48/20/04/446482004.db2.gz MPGFPCCJEQPVHL-QZTJIDSGSA-N 1 3 333.476 1.534 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423365104 446503147 /nfs/dbraw/zinc/50/31/47/446503147.db2.gz PENNSZNJUFGUNI-INMHGKMJSA-N 1 3 333.480 1.658 20 0 EDADHO CN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418336940 446506028 /nfs/dbraw/zinc/50/60/28/446506028.db2.gz INKUUVWRTLLVOD-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360939 446513197 /nfs/dbraw/zinc/51/31/97/446513197.db2.gz KPSMIRDWNNOQQX-WBVHZDCISA-N 1 3 339.528 1.219 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343309 446514928 /nfs/dbraw/zinc/51/49/28/446514928.db2.gz QMYZIMWNXCQOQS-IAGOWNOFSA-N 1 3 333.451 1.806 20 0 EDADHO CN(C)CCn1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000433348643 446559360 /nfs/dbraw/zinc/55/93/60/446559360.db2.gz WLLBWNSHDCQSBF-INIZCTEOSA-N 1 3 329.448 2.076 20 0 EDADHO O=C(NCC1C[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418480960 446560111 /nfs/dbraw/zinc/56/01/11/446560111.db2.gz CCAWHOZSRPLGBA-ZWKOTPCHSA-N 1 3 328.460 1.369 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562468 /nfs/dbraw/zinc/56/24/68/446562468.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 1 3 342.531 1.780 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562475 /nfs/dbraw/zinc/56/24/75/446562475.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 1 3 342.531 1.780 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389856 446565747 /nfs/dbraw/zinc/56/57/47/446565747.db2.gz YYZFZNKXFXIRRV-SFHVURJKSA-N 1 3 329.448 1.981 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389856 446565755 /nfs/dbraw/zinc/56/57/55/446565755.db2.gz YYZFZNKXFXIRRV-SFHVURJKSA-N 1 3 329.448 1.981 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418501706 446568645 /nfs/dbraw/zinc/56/86/45/446568645.db2.gz RXGDGPHSKCBODY-QGZVFWFLSA-N 1 3 348.491 1.528 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418379751 446521755 /nfs/dbraw/zinc/52/17/55/446521755.db2.gz WGXYWMBMONNJMA-FHWLQOOXSA-N 1 3 342.487 1.902 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418382524 446522638 /nfs/dbraw/zinc/52/26/38/446522638.db2.gz IECRSJYTAFYCRX-RCCFBDPRSA-N 1 3 348.491 1.152 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609071 446614259 /nfs/dbraw/zinc/61/42/59/446614259.db2.gz SGCBYIOKWDTQBA-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464614 446577888 /nfs/dbraw/zinc/57/78/88/446577888.db2.gz DBTZGRNJSOOFKE-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418529283 446580957 /nfs/dbraw/zinc/58/09/57/446580957.db2.gz SZKOMIGUQIYCJT-UYAOXDASSA-N 1 3 342.487 1.904 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418567722 446597840 /nfs/dbraw/zinc/59/78/40/446597840.db2.gz BBXKOBNJMUWQQE-GOSISDBHSA-N 1 3 346.475 1.542 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662636 446638903 /nfs/dbraw/zinc/63/89/03/446638903.db2.gz DREABFDMSJNMBQ-BRWVUGGUSA-N 1 3 339.528 1.077 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418666732 446641869 /nfs/dbraw/zinc/64/18/69/446641869.db2.gz GMQLJIVOOHBKTF-QZTJIDSGSA-N 1 3 348.491 1.613 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000368113866 446649061 /nfs/dbraw/zinc/64/90/61/446649061.db2.gz UOLTXCRSOIXOIA-HIFRSBDPSA-N 1 3 328.420 1.503 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000418741879 446664221 /nfs/dbraw/zinc/66/42/21/446664221.db2.gz BDUFSMQSVYAFET-CQSZACIVSA-N 1 3 330.423 1.644 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000418741879 446664224 /nfs/dbraw/zinc/66/42/24/446664224.db2.gz BDUFSMQSVYAFET-CQSZACIVSA-N 1 3 330.423 1.644 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000418652809 446635000 /nfs/dbraw/zinc/63/50/00/446635000.db2.gz NJHXMYDPWMDHSL-GOSISDBHSA-N 1 3 348.491 1.347 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000418652809 446635002 /nfs/dbraw/zinc/63/50/02/446635002.db2.gz NJHXMYDPWMDHSL-GOSISDBHSA-N 1 3 348.491 1.347 20 0 EDADHO CCN(CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627354 446704970 /nfs/dbraw/zinc/70/49/70/446704970.db2.gz QWGNLNMPNDOHNT-KRWDZBQOSA-N 1 3 346.475 1.867 20 0 EDADHO CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCCNCC1 ZINC000435627354 446704974 /nfs/dbraw/zinc/70/49/74/446704974.db2.gz QWGNLNMPNDOHNT-KRWDZBQOSA-N 1 3 346.475 1.867 20 0 EDADHO CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCCNCC1 ZINC000435627354 446704981 /nfs/dbraw/zinc/70/49/81/446704981.db2.gz QWGNLNMPNDOHNT-KRWDZBQOSA-N 1 3 346.475 1.867 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418790668 446705224 /nfs/dbraw/zinc/70/52/24/446705224.db2.gz NBCIJUARXNEBPX-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423836685 446725113 /nfs/dbraw/zinc/72/51/13/446725113.db2.gz AKQNAHHMSKBMRY-FHWLQOOXSA-N 1 3 345.487 1.782 20 0 EDADHO O=C([C@H]1CN2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274171 446733915 /nfs/dbraw/zinc/73/39/15/446733915.db2.gz CTSAKUBCVLXFLM-LJQANCHMSA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423750948 446679740 /nfs/dbraw/zinc/67/97/40/446679740.db2.gz DXHVHBDYNAGFGX-ALOPSCKCSA-N 1 3 330.476 1.893 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423753733 446683990 /nfs/dbraw/zinc/68/39/90/446683990.db2.gz XTUUVHBIADWXEX-JKSUJKDBSA-N 1 3 339.480 1.395 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390614 446766267 /nfs/dbraw/zinc/76/62/67/446766267.db2.gz HQJCXSUNNKGUIP-DLBZAZTESA-N 1 3 343.537 1.102 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390614 446766270 /nfs/dbraw/zinc/76/62/70/446766270.db2.gz HQJCXSUNNKGUIP-DLBZAZTESA-N 1 3 343.537 1.102 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419017472 446869224 /nfs/dbraw/zinc/86/92/24/446869224.db2.gz AWDRYFYOKYVJIA-CAOSSQGBSA-N 1 3 340.512 1.103 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000424454579 446874404 /nfs/dbraw/zinc/87/44/04/446874404.db2.gz MDAAYPQBXYTTLI-OAHLLOKOSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000424454879 446874615 /nfs/dbraw/zinc/87/46/15/446874615.db2.gz MNQKZHIPDVTRNT-ZBFHGGJFSA-N 1 3 332.448 1.381 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)c1 ZINC000424462741 446880114 /nfs/dbraw/zinc/88/01/14/446880114.db2.gz GCMCHKMIGHAODN-UHFFFAOYSA-N 1 3 344.459 1.479 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000375597827 446915593 /nfs/dbraw/zinc/91/55/93/446915593.db2.gz LOSHUZMWYPDXDC-BZSNNMDCSA-N 1 3 336.524 1.521 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000375597827 446915599 /nfs/dbraw/zinc/91/55/99/446915599.db2.gz LOSHUZMWYPDXDC-BZSNNMDCSA-N 1 3 336.524 1.521 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000377124497 446935766 /nfs/dbraw/zinc/93/57/66/446935766.db2.gz FQGNGUOULCFZTG-NVXWUHKLSA-N 1 3 333.480 1.616 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173651 446969986 /nfs/dbraw/zinc/96/99/86/446969986.db2.gz PJRIPSJUFMCEPZ-IXDOHACOSA-N 1 3 338.496 1.269 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419228074 447018571 /nfs/dbraw/zinc/01/85/71/447018571.db2.gz GGMZYOFDWNWGFU-KRWDZBQOSA-N 1 3 346.475 1.183 20 0 EDADHO CCCCCNC(=O)CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000421004740 446979353 /nfs/dbraw/zinc/97/93/53/446979353.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCCCCNC(=O)CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000421004740 446979360 /nfs/dbraw/zinc/97/93/60/446979360.db2.gz IKYBDKWWLVWSRO-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419166862 446984322 /nfs/dbraw/zinc/98/43/22/446984322.db2.gz HTLWIOSVXQWAES-OAGGEKHMSA-N 1 3 338.496 1.014 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413092304 446995731 /nfs/dbraw/zinc/99/57/31/446995731.db2.gz FUKJWCPHZJWAFR-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO O=C(CC1CC[NH+](CCCN2CCCCC2)CC1)N1CCOCC1 ZINC000368733061 447074352 /nfs/dbraw/zinc/07/43/52/447074352.db2.gz NACGQSWPJPRXTL-UHFFFAOYSA-N 1 3 337.508 1.823 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC1CC[NH+](CC2CC2)CC1 ZINC000369028759 447274658 /nfs/dbraw/zinc/27/46/58/447274658.db2.gz SEWMHDXATCBYTP-IRXDYDNUSA-N 1 3 336.480 1.023 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458810998 447480303 /nfs/dbraw/zinc/48/03/03/447480303.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458810998 447480305 /nfs/dbraw/zinc/48/03/05/447480305.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCCN1CCO ZINC000458863488 447491410 /nfs/dbraw/zinc/49/14/10/447491410.db2.gz YSYHSDQVKCKRMX-QGZVFWFLSA-N 1 3 340.512 1.399 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000458867407 447493364 /nfs/dbraw/zinc/49/33/64/447493364.db2.gz QPTCIXLEVHKBBF-OWCLPIDISA-N 1 3 328.476 1.935 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000458867407 447493369 /nfs/dbraw/zinc/49/33/69/447493369.db2.gz QPTCIXLEVHKBBF-OWCLPIDISA-N 1 3 328.476 1.935 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N(CC)CC ZINC000427094097 447543394 /nfs/dbraw/zinc/54/33/94/447543394.db2.gz PFWWBPBJTQWKQP-FGTMMUONSA-N 1 3 339.524 1.991 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000398192203 447556247 /nfs/dbraw/zinc/55/62/47/447556247.db2.gz ZULCNDDGHVFCLA-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000398192203 447556253 /nfs/dbraw/zinc/55/62/53/447556253.db2.gz ZULCNDDGHVFCLA-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO COC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105978 447556441 /nfs/dbraw/zinc/55/64/41/447556441.db2.gz BNODITHIRSXEAS-AEFFLSMTSA-N 1 3 345.487 1.782 20 0 EDADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1)CC(C)C ZINC000420031230 447556650 /nfs/dbraw/zinc/55/66/50/447556650.db2.gz RFAPOOZKDSUSHI-HNNXBMFYSA-N 1 3 340.512 1.056 20 0 EDADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1)CC(C)C ZINC000420031230 447556655 /nfs/dbraw/zinc/55/66/55/447556655.db2.gz RFAPOOZKDSUSHI-HNNXBMFYSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066138 447560705 /nfs/dbraw/zinc/56/07/05/447560705.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 1 3 334.508 1.983 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066138 447560712 /nfs/dbraw/zinc/56/07/12/447560712.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 1 3 334.508 1.983 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CC1 ZINC000459135936 447591206 /nfs/dbraw/zinc/59/12/06/447591206.db2.gz BCHKWQWDOCXSQE-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CC1 ZINC000459135936 447591211 /nfs/dbraw/zinc/59/12/11/447591211.db2.gz BCHKWQWDOCXSQE-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000420111434 447608931 /nfs/dbraw/zinc/60/89/31/447608931.db2.gz CKKWJARZAYJIHF-JKIFEVAISA-N 1 3 344.459 1.018 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838084 447694214 /nfs/dbraw/zinc/69/42/14/447694214.db2.gz ISNBHKKMNAMUJZ-BPQIPLTHSA-N 1 3 330.476 1.887 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416850601 447695452 /nfs/dbraw/zinc/69/54/52/447695452.db2.gz KEEZEWNBBSYCKR-QAPCUYQASA-N 1 3 348.491 1.987 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000420174076 447654515 /nfs/dbraw/zinc/65/45/15/447654515.db2.gz SDFZKYPRDLADPF-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO O=C1O[C@]2(CN1CN1CC[C@@H]([NH+]3CCCCC3)C1)CN1CCC2CC1 ZINC000495961389 447679032 /nfs/dbraw/zinc/67/90/32/447679032.db2.gz LBIMCCXCRAOKIW-MJGOQNOKSA-N 1 3 348.491 1.421 20 0 EDADHO C[C@H]1CCNC[C@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000422832911 447763606 /nfs/dbraw/zinc/76/36/06/447763606.db2.gz LSUKDDYDIQXKAF-AZUAARDMSA-N 1 3 330.520 1.782 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000422832911 447763608 /nfs/dbraw/zinc/76/36/08/447763608.db2.gz LSUKDDYDIQXKAF-AZUAARDMSA-N 1 3 330.520 1.782 20 0 EDADHO CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000422697161 447718689 /nfs/dbraw/zinc/71/86/89/447718689.db2.gz UBRBETZFKHOWDS-IAGOWNOFSA-N 1 3 332.496 1.109 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCc2cn(C)cn2)CC1 ZINC000459656737 447734762 /nfs/dbraw/zinc/73/47/62/447734762.db2.gz HRZPEQXBZCRLNS-UHFFFAOYSA-N 1 3 327.476 1.894 20 0 EDADHO COCCCN(C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790788 447751145 /nfs/dbraw/zinc/75/11/45/447751145.db2.gz XYOFULPXMUCNER-MJGOQNOKSA-N 1 3 333.476 1.800 20 0 EDADHO CN(C)C(=O)COc1ccccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459730485 447754081 /nfs/dbraw/zinc/75/40/81/447754081.db2.gz KGJFDQFCCYBOIX-MRXNPFEDSA-N 1 3 333.476 1.975 20 0 EDADHO CN(C)C(=O)COc1ccccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459730485 447754083 /nfs/dbraw/zinc/75/40/83/447754083.db2.gz KGJFDQFCCYBOIX-MRXNPFEDSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@@H](NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422838940 447765733 /nfs/dbraw/zinc/76/57/33/447765733.db2.gz YUALRZPEYIRCQX-UYAOXDASSA-N 1 3 330.520 1.782 20 0 EDADHO CN(C)CCOc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422824986 447761220 /nfs/dbraw/zinc/76/12/20/447761220.db2.gz OUIFWBHKETXGAJ-IPMKNSEASA-N 1 3 347.503 1.874 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422841758 447766845 /nfs/dbraw/zinc/76/68/45/447766845.db2.gz DKCGKJXNJGJPFJ-WMZOPIPTSA-N 1 3 338.540 1.877 20 0 EDADHO CC[C@H](NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963539 447782216 /nfs/dbraw/zinc/78/22/16/447782216.db2.gz GFNORDDHXXBFIC-HSALFYBXSA-N 1 3 331.504 1.916 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000422995270 447789002 /nfs/dbraw/zinc/78/90/02/447789002.db2.gz XQDQLOHRYAEVAL-PMPSAXMXSA-N 1 3 343.479 1.448 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000431021518 447789796 /nfs/dbraw/zinc/78/97/96/447789796.db2.gz JXKWORCNCOUXPD-DAWZGUTISA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000471635110 447806814 /nfs/dbraw/zinc/80/68/14/447806814.db2.gz HZEDCOLKJVSIRM-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H](NCCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000423112500 447807602 /nfs/dbraw/zinc/80/76/02/447807602.db2.gz XJXLFBGAIXHKET-QWHCGFSZSA-N 1 3 345.896 1.596 20 0 EDADHO CCOC(=O)N1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000496711539 447853697 /nfs/dbraw/zinc/85/36/97/447853697.db2.gz CRUIWYQLVGDKHN-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000523320770 447878722 /nfs/dbraw/zinc/87/87/22/447878722.db2.gz YZNOLGYUPHAUKV-MSOLQXFVSA-N 1 3 345.491 1.782 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523320770 447878728 /nfs/dbraw/zinc/87/87/28/447878728.db2.gz YZNOLGYUPHAUKV-MSOLQXFVSA-N 1 3 345.491 1.782 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665622 447897339 /nfs/dbraw/zinc/89/73/39/447897339.db2.gz MDLWEXJINKIBOO-SJLPKXTDSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665622 447897344 /nfs/dbraw/zinc/89/73/44/447897344.db2.gz MDLWEXJINKIBOO-SJLPKXTDSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)N(C)c1ccccc1 ZINC000524903408 447959868 /nfs/dbraw/zinc/95/98/68/447959868.db2.gz MVADAVIEZZSOFG-QGZVFWFLSA-N 1 3 349.523 1.646 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C(C)C ZINC000525304132 447993528 /nfs/dbraw/zinc/99/35/28/447993528.db2.gz ZKYQZWLDIHFOAS-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C(C)C ZINC000525304132 447993532 /nfs/dbraw/zinc/99/35/32/447993532.db2.gz ZKYQZWLDIHFOAS-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO CC[C@@]1(O)CCN(Cc2cncc(CN3CC[C@](O)(CC)C3)c2)C1 ZINC000556226762 448109810 /nfs/dbraw/zinc/10/98/10/448109810.db2.gz RCWPMIULUGAZEB-RTBURBONSA-N 1 3 333.476 1.775 20 0 EDADHO CC[C@@]1(O)CCN(Cc2cncc(C[N@@H+]3CC[C@](O)(CC)C3)c2)C1 ZINC000556226762 448109815 /nfs/dbraw/zinc/10/98/15/448109815.db2.gz RCWPMIULUGAZEB-RTBURBONSA-N 1 3 333.476 1.775 20 0 EDADHO CC[C@@]1(O)CCN(Cc2cncc(C[N@H+]3CC[C@](O)(CC)C3)c2)C1 ZINC000556226762 448109821 /nfs/dbraw/zinc/10/98/21/448109821.db2.gz RCWPMIULUGAZEB-RTBURBONSA-N 1 3 333.476 1.775 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000576709552 448122928 /nfs/dbraw/zinc/12/29/28/448122928.db2.gz VERIREDWPBSQAJ-UHFFFAOYSA-N 1 3 349.479 1.292 20 0 EDADHO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000571315985 448135493 /nfs/dbraw/zinc/13/54/93/448135493.db2.gz QQDJXXDMRPJDPO-HXUWFJFHSA-N 1 3 349.519 1.700 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000514961967 448234810 /nfs/dbraw/zinc/23/48/10/448234810.db2.gz BXVMFYAYPRBEKL-BZSNNMDCSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000514961967 448234811 /nfs/dbraw/zinc/23/48/11/448234811.db2.gz BXVMFYAYPRBEKL-BZSNNMDCSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCN(CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1(C)C ZINC000577359098 448274198 /nfs/dbraw/zinc/27/41/98/448274198.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CN1CCN(CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000577359098 448274204 /nfs/dbraw/zinc/27/42/04/448274204.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CC[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCOCC1 ZINC000532499938 448266653 /nfs/dbraw/zinc/26/66/53/448266653.db2.gz HKPZTWIJTMADLC-SFHVURJKSA-N 1 3 327.513 1.171 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CN1C1CC1 ZINC000515504727 448324324 /nfs/dbraw/zinc/32/43/24/448324324.db2.gz DELDBAUTSSNORH-KMFMINBZSA-N 1 3 337.533 1.945 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccn(C)n3)CC2)CC1 ZINC000572132683 448297800 /nfs/dbraw/zinc/29/78/00/448297800.db2.gz LGOGBWXHEODBSP-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@H]2CN)CC1 ZINC000515655832 448340494 /nfs/dbraw/zinc/34/04/94/448340494.db2.gz ROOBBEHOUPKACS-GOSISDBHSA-N 1 3 330.476 1.145 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000582910614 448377377 /nfs/dbraw/zinc/37/73/77/448377377.db2.gz NBCCTUJHVGMION-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000582910614 448377383 /nfs/dbraw/zinc/37/73/83/448377383.db2.gz NBCCTUJHVGMION-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000572719282 448448006 /nfs/dbraw/zinc/44/80/06/448448006.db2.gz SBXSAULIZFEXDW-QAPCUYQASA-N 1 3 330.476 1.986 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000572719282 448448012 /nfs/dbraw/zinc/44/80/12/448448012.db2.gz SBXSAULIZFEXDW-QAPCUYQASA-N 1 3 330.476 1.986 20 0 EDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000528317398 448486414 /nfs/dbraw/zinc/48/64/14/448486414.db2.gz VLKXCTLQBBRTON-AFIMGQEJSA-N 1 3 337.508 1.721 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528339611 448491930 /nfs/dbraw/zinc/49/19/30/448491930.db2.gz XYAQGJDPKNICHD-SFFUCWETSA-N 1 3 339.524 1.920 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528339611 448491938 /nfs/dbraw/zinc/49/19/38/448491938.db2.gz XYAQGJDPKNICHD-SFFUCWETSA-N 1 3 339.524 1.920 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865318 448508701 /nfs/dbraw/zinc/50/87/01/448508701.db2.gz QRTOHFUADPTFHO-CQSZACIVSA-N 1 3 325.403 1.807 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591865318 448508704 /nfs/dbraw/zinc/50/87/04/448508704.db2.gz QRTOHFUADPTFHO-CQSZACIVSA-N 1 3 325.403 1.807 20 0 EDADHO O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349706 448525481 /nfs/dbraw/zinc/52/54/81/448525481.db2.gz NDAVPLPFORQABU-HNAYVOBHSA-N 1 3 342.443 1.183 20 0 EDADHO CC[N@H+](C)C[C@@H](O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566628132 448526182 /nfs/dbraw/zinc/52/61/82/448526182.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 1 3 348.535 1.049 20 0 EDADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566628132 448526188 /nfs/dbraw/zinc/52/61/88/448526188.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 1 3 348.535 1.049 20 0 EDADHO FC(F)(F)[C@H](CNCc1ccc2c[nH]nc2c1)N1CC[NH2+]CC1 ZINC000566666295 448531801 /nfs/dbraw/zinc/53/18/01/448531801.db2.gz FGIPASRMTXPXRJ-AWEZNQCLSA-N 1 3 327.354 1.489 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000584538810 448564190 /nfs/dbraw/zinc/56/41/90/448564190.db2.gz BPWRKHPHQDOMAP-MOPGFXCFSA-N 1 3 349.519 1.866 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nccc(C(F)F)n1 ZINC000517255122 448564933 /nfs/dbraw/zinc/56/49/33/448564933.db2.gz JNPXIPTWEWVSDE-UHFFFAOYSA-N 1 3 344.410 1.049 20 0 EDADHO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CNCCO1 ZINC000517337584 448573502 /nfs/dbraw/zinc/57/35/02/448573502.db2.gz HGEHEYOVWRYRLE-GOSISDBHSA-N 1 3 346.475 1.460 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc2c1CCNC2 ZINC000573090442 448540752 /nfs/dbraw/zinc/54/07/52/448540752.db2.gz IGDBZFDPQVFZFI-OAHLLOKOSA-N 1 3 334.464 1.547 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000517385521 448578656 /nfs/dbraw/zinc/57/86/56/448578656.db2.gz VBILFTGQCHTTRF-LJQANCHMSA-N 1 3 345.487 1.878 20 0 EDADHO O[C@@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551708 /nfs/dbraw/zinc/55/17/08/448551708.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 1 3 330.472 1.716 20 0 EDADHO O[C@@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551713 /nfs/dbraw/zinc/55/17/13/448551713.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 1 3 330.472 1.716 20 0 EDADHO CN1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1ccccc1O2 ZINC000537191726 448552473 /nfs/dbraw/zinc/55/24/73/448552473.db2.gz XDUQOBGAPBCRRV-RYQLBKOJSA-N 1 3 346.471 1.962 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730489 448619082 /nfs/dbraw/zinc/61/90/82/448619082.db2.gz GKXJVLMILCABGT-CVEARBPZSA-N 1 3 339.528 1.090 20 0 EDADHO Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@@H](O)CN3CCCC3)c2cc1C ZINC000566916352 448585044 /nfs/dbraw/zinc/58/50/44/448585044.db2.gz ZWPVNEDVQITMHX-IAGOWNOFSA-N 1 3 346.475 1.060 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000518164244 448648403 /nfs/dbraw/zinc/64/84/03/448648403.db2.gz DKHLUZPZUBJGLI-GDBMZVCRSA-N 1 3 328.464 1.902 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](OC)C(C)C)CC2)CC1 ZINC000573932179 448751985 /nfs/dbraw/zinc/75/19/85/448751985.db2.gz FFRRNTVEXXQKIK-GOSISDBHSA-N 1 3 339.524 1.970 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000574078230 448786593 /nfs/dbraw/zinc/78/65/93/448786593.db2.gz XHRBNFFFHZFGME-UHFFFAOYSA-N 1 3 330.476 1.179 20 0 EDADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000574198358 448815923 /nfs/dbraw/zinc/81/59/23/448815923.db2.gz XQLDYAIGZPUQJV-QGZVFWFLSA-N 1 3 346.519 1.385 20 0 EDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)Cc1cccc(Cl)c1 ZINC000568511243 448882958 /nfs/dbraw/zinc/88/29/58/448882958.db2.gz KALBMZOOPOOTRX-QGZVFWFLSA-N 1 3 326.868 1.680 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)CC2)CC1 ZINC000574701989 448936882 /nfs/dbraw/zinc/93/68/82/448936882.db2.gz PXWIFAXECISPRM-YTQUADARSA-N 1 3 349.519 1.412 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]3CN3CCCCC3)c21 ZINC000592956887 449077882 /nfs/dbraw/zinc/07/78/82/449077882.db2.gz IUJYZYQNCMVWDN-CVEARBPZSA-N 1 3 345.491 1.810 20 0 EDADHO Cc1cc(NC(=O)NC[C@@H]2CCCN2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278090 449053476 /nfs/dbraw/zinc/05/34/76/449053476.db2.gz FRWPDKQFNIIXHI-HNNXBMFYSA-N 1 3 334.468 1.674 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000522147022 449056686 /nfs/dbraw/zinc/05/66/86/449056686.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000522147022 449056693 /nfs/dbraw/zinc/05/66/93/449056693.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)N(C)C ZINC000600001825 449144301 /nfs/dbraw/zinc/14/43/01/449144301.db2.gz SERPLWMRJDELMJ-MRXNPFEDSA-N 1 3 334.464 1.503 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095136 449340544 /nfs/dbraw/zinc/34/05/44/449340544.db2.gz DGLQKAXZYKNJPQ-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095136 449340549 /nfs/dbraw/zinc/34/05/49/449340549.db2.gz DGLQKAXZYKNJPQ-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO CC[C@@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427048 449382550 /nfs/dbraw/zinc/38/25/50/449382550.db2.gz NZNZNOPNIHIEGR-JKSUJKDBSA-N 1 3 338.496 1.048 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCN(C3CCC3)C2=O)CC[NH2+]CC1 ZINC000600713315 449511716 /nfs/dbraw/zinc/51/17/16/449511716.db2.gz HQIIPBPOTONMLE-HIFRSBDPSA-N 1 3 337.464 1.051 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C2)CC1 ZINC000594438480 449517605 /nfs/dbraw/zinc/51/76/05/449517605.db2.gz IZECXHPULAGHHG-ZHALLVOQSA-N 1 3 334.508 1.003 20 0 EDADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000594502067 449557993 /nfs/dbraw/zinc/55/79/93/449557993.db2.gz CKVCUCBAYDWBSV-SJLPKXTDSA-N 1 3 332.444 1.897 20 0 EDADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617504941 449650022 /nfs/dbraw/zinc/65/00/22/449650022.db2.gz QCZQNSMUBCPWRM-RDJZCZTQSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617504941 449650028 /nfs/dbraw/zinc/65/00/28/449650028.db2.gz QCZQNSMUBCPWRM-RDJZCZTQSA-N 1 3 340.512 1.022 20 0 EDADHO COC(=O)c1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)[nH]c1C ZINC000602533142 449656513 /nfs/dbraw/zinc/65/65/13/449656513.db2.gz OHLORPKVGYNRTB-UHFFFAOYSA-N 1 3 348.491 1.758 20 0 EDADHO Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507239 449657002 /nfs/dbraw/zinc/65/70/02/449657002.db2.gz NKAKOGLWDIBZPT-ZDUSSCGKSA-N 1 3 338.496 1.957 20 0 EDADHO Cc1noc(C)c1C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507239 449657006 /nfs/dbraw/zinc/65/70/06/449657006.db2.gz NKAKOGLWDIBZPT-ZDUSSCGKSA-N 1 3 338.496 1.957 20 0 EDADHO Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507098 449657382 /nfs/dbraw/zinc/65/73/82/449657382.db2.gz HWURRFUWYMSTCG-AWEZNQCLSA-N 1 3 337.512 1.948 20 0 EDADHO Cc1nn(C(C)(C)C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507098 449657386 /nfs/dbraw/zinc/65/73/86/449657386.db2.gz HWURRFUWYMSTCG-AWEZNQCLSA-N 1 3 337.512 1.948 20 0 EDADHO COC(=O)c1csc(C[NH2+]CCCCN2CCN(C)CC2)c1 ZINC000602509385 449639017 /nfs/dbraw/zinc/63/90/17/449639017.db2.gz FDRNTYLMUCSUOF-UHFFFAOYSA-N 1 3 325.478 1.652 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000617503966 449647709 /nfs/dbraw/zinc/64/77/09/449647709.db2.gz CJCNIHFAYRLFEN-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(-c2ccccc2)nn1 ZINC000617503966 449647713 /nfs/dbraw/zinc/64/77/13/449647713.db2.gz CJCNIHFAYRLFEN-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000594926612 449810097 /nfs/dbraw/zinc/81/00/97/449810097.db2.gz UKJCHWSOCNKWCH-ZYSHUDEJSA-N 1 3 345.487 1.721 20 0 EDADHO CCOC(=O)C1(C)CC(NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000601272556 449791380 /nfs/dbraw/zinc/79/13/80/449791380.db2.gz HCAOWLYATNHFAI-UHFFFAOYSA-N 1 3 335.448 1.843 20 0 EDADHO CCN(CCO)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581242 450235247 /nfs/dbraw/zinc/23/52/47/450235247.db2.gz ASBICEIXDDOANE-SFHVURJKSA-N 1 3 333.476 1.296 20 0 EDADHO CN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069735 450621180 /nfs/dbraw/zinc/62/11/80/450621180.db2.gz QXHUITIMPILUTN-HKUYNNGSSA-N 1 3 331.460 1.203 20 0 EDADHO CN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069735 450621186 /nfs/dbraw/zinc/62/11/86/450621186.db2.gz QXHUITIMPILUTN-HKUYNNGSSA-N 1 3 331.460 1.203 20 0 EDADHO [NH3+]CCCOCCNCc1cnc2ccc(Br)cn12 ZINC000629399222 450649337 /nfs/dbraw/zinc/64/93/37/450649337.db2.gz DIHYAEKVVAQRMN-UHFFFAOYSA-N 1 3 327.226 1.552 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081829 450668368 /nfs/dbraw/zinc/66/83/68/450668368.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081829 450668374 /nfs/dbraw/zinc/66/83/74/450668374.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633036999 450633403 /nfs/dbraw/zinc/63/34/03/450633403.db2.gz QHQFIJAPUJPCTI-KOMQPUFPSA-N 1 3 346.475 1.629 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NCC1([NH3+])CCOCC1 ZINC000629522108 450725042 /nfs/dbraw/zinc/72/50/42/450725042.db2.gz XSWNMPXUKWWJIJ-ZDUSSCGKSA-N 1 3 331.416 1.159 20 0 EDADHO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)CCCN1CCCC1 ZINC000631946722 450905096 /nfs/dbraw/zinc/90/50/96/450905096.db2.gz IKXPTOOXEGSDPI-KRWDZBQOSA-N 1 3 337.489 1.360 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)N1CCCCCC1 ZINC000627739906 450910976 /nfs/dbraw/zinc/91/09/76/450910976.db2.gz VCYKDBWXWRRBOG-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)N1CCCCCC1 ZINC000627739906 450910979 /nfs/dbraw/zinc/91/09/79/450910979.db2.gz VCYKDBWXWRRBOG-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO [NH3+]Cc1cccc2c1N(S(=O)(=O)CCCN1CCCC1)CCC2 ZINC000631954129 450912482 /nfs/dbraw/zinc/91/24/82/450912482.db2.gz CAKKWDDGSXFNIJ-UHFFFAOYSA-N 1 3 337.489 1.714 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626932321 451015027 /nfs/dbraw/zinc/01/50/27/451015027.db2.gz VKTWDRNXPCTBMC-ZBFHGGJFSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCN1C ZINC000626986989 451052835 /nfs/dbraw/zinc/05/28/35/451052835.db2.gz TULMULBFYRWPSX-FDYHWXHSSA-N 1 3 336.402 1.638 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635744249 451214400 /nfs/dbraw/zinc/21/44/00/451214400.db2.gz PPXIDXHOVSIAPY-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000638085597 451249742 /nfs/dbraw/zinc/24/97/42/451249742.db2.gz RTUHUGLZRFMRNV-QAPCUYQASA-N 1 3 335.448 1.010 20 0 EDADHO CC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000638113895 451282662 /nfs/dbraw/zinc/28/26/62/451282662.db2.gz QOKLROWTQAWNGA-CQSZACIVSA-N 1 3 332.448 1.449 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136878 451309773 /nfs/dbraw/zinc/30/97/73/451309773.db2.gz OKPOYQMRRYKKPQ-LJQANCHMSA-N 1 3 342.487 1.488 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000640451221 451324881 /nfs/dbraw/zinc/32/48/81/451324881.db2.gz LREGJKSKKAFNIG-GASCZTMLSA-N 1 3 338.496 1.399 20 0 EDADHO CCN1CCC(NC(=O)CN(C)CCCC[NH+]2CCCCC2)CC1 ZINC000640531918 451382457 /nfs/dbraw/zinc/38/24/57/451382457.db2.gz LDCQVIHNTIBQLO-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CCC[NH2+]CC3)ccc2[nH]c1=O ZINC000638191204 451347378 /nfs/dbraw/zinc/34/73/78/451347378.db2.gz UPZKWHHQKZEEPO-AWEZNQCLSA-N 1 3 345.447 1.175 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638277272 451396223 /nfs/dbraw/zinc/39/62/23/451396223.db2.gz XUUBDGPQGYSMDC-MJGOQNOKSA-N 1 3 333.476 1.864 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749187 451396849 /nfs/dbraw/zinc/39/68/49/451396849.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CCCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749187 451396851 /nfs/dbraw/zinc/39/68/51/451396851.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640571571 451415676 /nfs/dbraw/zinc/41/56/76/451415676.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640571571 451415679 /nfs/dbraw/zinc/41/56/79/451415679.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO CN(C)Cc1ccnc(NC(=O)NCCCN(C)CC[NH+](C)C)c1 ZINC000640571571 451415681 /nfs/dbraw/zinc/41/56/81/451415681.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638309797 451424585 /nfs/dbraw/zinc/42/45/85/451424585.db2.gz PIVRDJQFSYZYBE-MKXGPGLRSA-N 1 3 343.471 1.616 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000638309797 451424587 /nfs/dbraw/zinc/42/45/87/451424587.db2.gz PIVRDJQFSYZYBE-MKXGPGLRSA-N 1 3 343.471 1.616 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712760 451492162 /nfs/dbraw/zinc/49/21/62/451492162.db2.gz LHCRPRXZFBZKPM-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712760 451492169 /nfs/dbraw/zinc/49/21/69/451492169.db2.gz LHCRPRXZFBZKPM-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO CN(CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341170 451444892 /nfs/dbraw/zinc/44/48/92/451444892.db2.gz NSZWCSONQKQRFK-NVXWUHKLSA-N 1 3 325.497 1.709 20 0 EDADHO OC1CCN(CCC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634718678 451498115 /nfs/dbraw/zinc/49/81/15/451498115.db2.gz HQJMXTPECIIAEB-HXUWFJFHSA-N 1 3 347.503 1.060 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000638763834 451683842 /nfs/dbraw/zinc/68/38/42/451683842.db2.gz JTEPLHOMTNLLNT-HNNXBMFYSA-N 1 3 336.455 1.624 20 0 EDADHO O=C(NCc1cccc2c1CC[NH2+]C2)c1cc2c(s1)CCNC2 ZINC000638845723 451708462 /nfs/dbraw/zinc/70/84/62/451708462.db2.gz JHMNBHYCACVOJN-UHFFFAOYSA-N 1 3 327.453 1.970 20 0 EDADHO CCN1CCN(CCC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877756 451716751 /nfs/dbraw/zinc/71/67/51/451716751.db2.gz OLRFLRGKRXGDGU-SFHVURJKSA-N 1 3 332.492 1.090 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638728993 451668799 /nfs/dbraw/zinc/66/87/99/451668799.db2.gz OOKKWHAVLCGFJL-MRXNPFEDSA-N 1 3 325.497 1.853 20 0 EDADHO C[C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C[C@@H]1C[NH3+] ZINC000632960964 451670664 /nfs/dbraw/zinc/67/06/64/451670664.db2.gz LQWRXYICZBLXTL-KGLIPLIRSA-N 1 3 334.468 1.598 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207475 451756476 /nfs/dbraw/zinc/75/64/76/451756476.db2.gz IRWQHODBFXZUIH-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO COc1cccc2c1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000637263166 451773654 /nfs/dbraw/zinc/77/36/54/451773654.db2.gz GBZOQPOXEKTNON-HNNXBMFYSA-N 1 3 348.491 1.992 20 0 EDADHO COc1cccc2c1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000637263166 451773656 /nfs/dbraw/zinc/77/36/56/451773656.db2.gz GBZOQPOXEKTNON-HNNXBMFYSA-N 1 3 348.491 1.992 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCC[NH2+]C2CC2)c1 ZINC000637317199 451787657 /nfs/dbraw/zinc/78/76/57/451787657.db2.gz MGSBLPBXWFARRF-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO Cn1c(=O)ccc2c1CCC[C@H]2NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639313125 451822314 /nfs/dbraw/zinc/82/23/14/451822314.db2.gz NPORXJYSGXMHKF-MRXNPFEDSA-N 1 3 333.476 1.588 20 0 EDADHO CNC(=O)C1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639443209 451872196 /nfs/dbraw/zinc/87/21/96/451872196.db2.gz YXTPHTLLCHWMSJ-LJQANCHMSA-N 1 3 331.460 1.081 20 0 EDADHO CNC(=O)C1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639443209 451872199 /nfs/dbraw/zinc/87/21/99/451872199.db2.gz YXTPHTLLCHWMSJ-LJQANCHMSA-N 1 3 331.460 1.081 20 0 EDADHO CC(C)[NH+](CCCNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581369 451874429 /nfs/dbraw/zinc/87/44/29/451874429.db2.gz GHOCPGRSLGZRTQ-KURKYZTESA-N 1 3 329.529 1.555 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637470888 451889051 /nfs/dbraw/zinc/88/90/51/451889051.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 1 3 339.528 1.186 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642645155 451905560 /nfs/dbraw/zinc/90/55/60/451905560.db2.gz SPPAXQVCZZDETF-HZPDHXFCSA-N 1 3 338.496 1.016 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210874 451907280 /nfs/dbraw/zinc/90/72/80/451907280.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210874 451907285 /nfs/dbraw/zinc/90/72/85/451907285.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1CCCCC1 ZINC000653440054 451953299 /nfs/dbraw/zinc/95/32/99/451953299.db2.gz SABMTGQMEBQXNW-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CC[N@@H+](CCCNC(=O)C(=O)N(C)CCN(C)C)C1CCCCC1 ZINC000653440054 451953303 /nfs/dbraw/zinc/95/33/03/451953303.db2.gz SABMTGQMEBQXNW-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)CN1CCCC[C@H](N)C1=O)CC(C)C ZINC000649285379 451958798 /nfs/dbraw/zinc/95/87/98/451958798.db2.gz UIFQJHDSFFYUQY-HOTGVXAUSA-N 1 3 340.512 1.199 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305098 451982096 /nfs/dbraw/zinc/98/20/96/451982096.db2.gz CVMICXFENDASER-UYAOXDASSA-N 1 3 345.487 1.783 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1Cl ZINC000649305930 451983961 /nfs/dbraw/zinc/98/39/61/451983961.db2.gz MFPBIKPNHUTQOV-GFCCVEGCSA-N 1 3 341.839 1.455 20 0 EDADHO C[C@@H]1CN(CCc2cncn2C)C(C)(C)C[N@@H+]1CCc1cncn1C ZINC000639661137 452006586 /nfs/dbraw/zinc/00/65/86/452006586.db2.gz ZXMVHSMLSWKPCB-MRXNPFEDSA-N 1 3 344.507 1.724 20 0 EDADHO C[C@@H]1CN(CCc2cncn2C)C(C)(C)C[N@H+]1CCc1cncn1C ZINC000639661137 452006591 /nfs/dbraw/zinc/00/65/91/452006591.db2.gz ZXMVHSMLSWKPCB-MRXNPFEDSA-N 1 3 344.507 1.724 20 0 EDADHO C[C@@H]1C[N@H+](CCc2cncn2C)C(C)(C)CN1CCc1cncn1C ZINC000639661137 452006596 /nfs/dbraw/zinc/00/65/96/452006596.db2.gz ZXMVHSMLSWKPCB-MRXNPFEDSA-N 1 3 344.507 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](CCc2cncn2C)C(C)(C)CN1CCc1cncn1C ZINC000639661137 452006601 /nfs/dbraw/zinc/00/66/01/452006601.db2.gz ZXMVHSMLSWKPCB-MRXNPFEDSA-N 1 3 344.507 1.724 20 0 EDADHO CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000637669889 452011887 /nfs/dbraw/zinc/01/18/87/452011887.db2.gz SKLOFVIYRZUPJS-KRWDZBQOSA-N 1 3 346.479 1.850 20 0 EDADHO CN1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000649332856 452014306 /nfs/dbraw/zinc/01/43/06/452014306.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 1 3 342.487 1.331 20 0 EDADHO CN1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000649332856 452014311 /nfs/dbraw/zinc/01/43/11/452014311.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 1 3 342.487 1.331 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686965 452022940 /nfs/dbraw/zinc/02/29/40/452022940.db2.gz QRETUBUVZDXXIR-LJQANCHMSA-N 1 3 348.535 1.632 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686965 452022946 /nfs/dbraw/zinc/02/29/46/452022946.db2.gz QRETUBUVZDXXIR-LJQANCHMSA-N 1 3 348.535 1.632 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)COC2CCC([NH3+])CC2)c2ccccc2O1 ZINC000649347288 452029921 /nfs/dbraw/zinc/02/99/21/452029921.db2.gz OTNBHAGTFPGTAV-GPANFISMSA-N 1 3 347.459 1.629 20 0 EDADHO CC[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649358926 452040601 /nfs/dbraw/zinc/04/06/01/452040601.db2.gz IYEZRUDNCAJUAN-PKOBYXMFSA-N 1 3 344.503 1.785 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC4(C3)CC[NH+](C)CC4)sc2n1 ZINC000639759708 452098264 /nfs/dbraw/zinc/09/82/64/452098264.db2.gz HIRRVTGFCMYJPJ-UHFFFAOYSA-N 1 3 333.461 1.377 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181852 452110624 /nfs/dbraw/zinc/11/06/24/452110624.db2.gz VYYOWULBZVIJAK-JLSDUUJJSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1C[C@H](NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181852 452110628 /nfs/dbraw/zinc/11/06/28/452110628.db2.gz VYYOWULBZVIJAK-JLSDUUJJSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218365 452129647 /nfs/dbraw/zinc/12/96/47/452129647.db2.gz JAQRCGIQPPNXMV-KBXCAEBGSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218365 452129656 /nfs/dbraw/zinc/12/96/56/452129656.db2.gz JAQRCGIQPPNXMV-KBXCAEBGSA-N 1 3 331.460 1.651 20 0 EDADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCCO1 ZINC000653878434 452158422 /nfs/dbraw/zinc/15/84/22/452158422.db2.gz ZWHBFTDCRMYNRF-SJORKVTESA-N 1 3 325.497 1.913 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221290 452217549 /nfs/dbraw/zinc/21/75/49/452217549.db2.gz LQWMHIGEPZNAKU-MDZRGWNJSA-N 1 3 344.459 1.263 20 0 EDADHO O=c1[nH]c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2[nH]1 ZINC000641738191 452228399 /nfs/dbraw/zinc/22/83/99/452228399.db2.gz BOKCIANKWTVLGX-DLBZAZTESA-N 1 3 330.432 1.736 20 0 EDADHO CNS(=O)(=O)Cc1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000643454586 452231283 /nfs/dbraw/zinc/23/12/83/452231283.db2.gz LHFUHGMHQJJJRB-CJNGLKHVSA-N 1 3 325.478 1.214 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1(C)C ZINC000657459136 452260520 /nfs/dbraw/zinc/26/05/20/452260520.db2.gz URNQDFAAHXYLIB-LJQANCHMSA-N 1 3 347.503 1.970 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)C[C@@H]21 ZINC000641786319 452261024 /nfs/dbraw/zinc/26/10/24/452261024.db2.gz MALJFDMRGDWOTA-BZZMCLGOSA-N 1 3 328.460 1.642 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000643495422 452263952 /nfs/dbraw/zinc/26/39/52/452263952.db2.gz IATOZDFKSBTCLT-HNAYVOBHSA-N 1 3 344.503 1.472 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797150 452273064 /nfs/dbraw/zinc/27/30/64/452273064.db2.gz VZVFMELAAKHQLN-LBPRGKRZSA-N 1 3 341.358 1.295 20 0 EDADHO C[C@H](CCNC(=O)NCc1ccc(OCCN(C)C)cc1)[NH+](C)C ZINC000663585176 452310183 /nfs/dbraw/zinc/31/01/83/452310183.db2.gz ZUGUVCVCBGXJKM-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467233 452323844 /nfs/dbraw/zinc/32/38/44/452323844.db2.gz VIWXACCTPFTIGM-DDBAPUKQSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467233 452323856 /nfs/dbraw/zinc/32/38/56/452323856.db2.gz VIWXACCTPFTIGM-DDBAPUKQSA-N 1 3 348.466 1.978 20 0 EDADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000641872440 452335529 /nfs/dbraw/zinc/33/55/29/452335529.db2.gz YFCNISABHWJZKD-FGTMMUONSA-N 1 3 328.460 1.622 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)NC/C=C\C[NH3+] ZINC000641870377 452335966 /nfs/dbraw/zinc/33/59/66/452335966.db2.gz URGCIRWSKKCXRG-IHWYPQMZSA-N 1 3 331.464 1.844 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663615087 452347752 /nfs/dbraw/zinc/34/77/52/452347752.db2.gz DNHBKNJMNUGBPE-GOSISDBHSA-N 1 3 332.448 1.335 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659506222 452372043 /nfs/dbraw/zinc/37/20/43/452372043.db2.gz MNIJMHGKPNDRMY-GOSISDBHSA-N 1 3 346.475 1.195 20 0 EDADHO CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000659616504 452475327 /nfs/dbraw/zinc/47/53/27/452475327.db2.gz LERMWIZCUFVDOL-TVRKMHQQSA-N 1 3 328.460 1.654 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000655680473 452505720 /nfs/dbraw/zinc/50/57/20/452505720.db2.gz MHYPEQNWWQGONN-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347333 452523905 /nfs/dbraw/zinc/52/39/05/452523905.db2.gz YWNMAXJFOBYNOO-VIQHNZTISA-N 1 3 325.497 1.898 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1CC[NH3+] ZINC000652356062 452533702 /nfs/dbraw/zinc/53/37/02/452533702.db2.gz RDZWEKHHPUHFGL-NEWSRXKRSA-N 1 3 346.519 1.855 20 0 EDADHO Cc1nn(-c2ccccc2F)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000655741796 452550288 /nfs/dbraw/zinc/55/02/88/452550288.db2.gz LZXFDGOGEWXVGV-UHFFFAOYSA-N 1 3 332.423 1.866 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655757426 452562423 /nfs/dbraw/zinc/56/24/23/452562423.db2.gz RYQGNDKGPCJIQA-HKUYNNGSSA-N 1 3 338.540 1.245 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919996 452680716 /nfs/dbraw/zinc/68/07/16/452680716.db2.gz RNEZTPBZAFZRIA-KGLIPLIRSA-N 1 3 344.381 1.792 20 0 EDADHO Cc1cc(NC(=O)NCCC2CC[NH2+]CC2)n(C2CCN(C)CC2)n1 ZINC000652582628 452755581 /nfs/dbraw/zinc/75/55/81/452755581.db2.gz XMRKZISXNYKOST-UHFFFAOYSA-N 1 3 348.495 1.969 20 0 EDADHO CN(CCCN(C)Cc1ccnn1-c1ccccn1)CC[NH+](C)C ZINC000648036338 452773074 /nfs/dbraw/zinc/77/30/74/452773074.db2.gz FUXXRJQDNKWDKA-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786963 452787813 /nfs/dbraw/zinc/78/78/13/452787813.db2.gz NZANNERZHGNFGD-OALUTQOASA-N 1 3 345.487 1.783 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786963 452787821 /nfs/dbraw/zinc/78/78/21/452787821.db2.gz NZANNERZHGNFGD-OALUTQOASA-N 1 3 345.487 1.783 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCN2CCCCC2)c1 ZINC000652645026 452801642 /nfs/dbraw/zinc/80/16/42/452801642.db2.gz OMCCPTPDAZQFOK-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccncc1Br ZINC000664196992 452869241 /nfs/dbraw/zinc/86/92/41/452869241.db2.gz XQTJOEITCOSUHF-LBPRGKRZSA-N 1 3 329.286 1.950 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccncc1Br ZINC000664196992 452869228 /nfs/dbraw/zinc/86/92/28/452869228.db2.gz XQTJOEITCOSUHF-LBPRGKRZSA-N 1 3 329.286 1.950 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccncc1Br ZINC000664196992 452869236 /nfs/dbraw/zinc/86/92/36/452869236.db2.gz XQTJOEITCOSUHF-LBPRGKRZSA-N 1 3 329.286 1.950 20 0 EDADHO Cc1cc(C)n(-c2ccc(NCC[N@@H+](C)CCCN(C)C)nn2)n1 ZINC000664246948 452926316 /nfs/dbraw/zinc/92/63/16/452926316.db2.gz BSJOMRCASBXLLW-UHFFFAOYSA-N 1 3 331.468 1.575 20 0 EDADHO Cc1cc(C)n(-c2ccc(NCC[N@H+](C)CCCN(C)C)nn2)n1 ZINC000664246948 452926323 /nfs/dbraw/zinc/92/63/23/452926323.db2.gz BSJOMRCASBXLLW-UHFFFAOYSA-N 1 3 331.468 1.575 20 0 EDADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248487 452972894 /nfs/dbraw/zinc/97/28/94/452972894.db2.gz DCDNYMDOHAJDMB-WMLDXEAASA-N 1 3 327.432 1.781 20 0 EDADHO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248487 452972897 /nfs/dbraw/zinc/97/28/97/452972897.db2.gz DCDNYMDOHAJDMB-WMLDXEAASA-N 1 3 327.432 1.781 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC34CCOCC4)CC2)CC1 ZINC000654854980 452977671 /nfs/dbraw/zinc/97/76/71/452977671.db2.gz DCIUFEPYOHIYAC-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)n1 ZINC000662261180 452990295 /nfs/dbraw/zinc/99/02/95/452990295.db2.gz TXXIXJKQBATIEX-JKSUJKDBSA-N 1 3 344.459 1.562 20 0 EDADHO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)n1 ZINC000662261180 452990308 /nfs/dbraw/zinc/99/03/08/452990308.db2.gz TXXIXJKQBATIEX-JKSUJKDBSA-N 1 3 344.459 1.562 20 0 EDADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000662296447 453018200 /nfs/dbraw/zinc/01/82/00/453018200.db2.gz KLMJRIVGGQAQSP-GOSISDBHSA-N 1 3 345.487 1.893 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297991 453020649 /nfs/dbraw/zinc/02/06/49/453020649.db2.gz SVQNWLGKKNBSBG-RDJZCZTQSA-N 1 3 325.497 1.629 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654974 453040715 /nfs/dbraw/zinc/04/07/15/453040715.db2.gz WCXMNRKKSQPHJK-RBUKOAKNSA-N 1 3 345.487 1.517 20 0 EDADHO Cc1ccc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337580 453055864 /nfs/dbraw/zinc/05/58/64/453055864.db2.gz LPOMQFOCJBZRHK-KRWDZBQOSA-N 1 3 340.475 1.902 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686185 453063840 /nfs/dbraw/zinc/06/38/40/453063840.db2.gz GCJGMQDOOWOLDT-GJZGRUSLSA-N 1 3 345.443 1.561 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086325 /nfs/dbraw/zinc/08/63/25/453086325.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086335 /nfs/dbraw/zinc/08/63/35/453086335.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[C@H](C)O1 ZINC000660155218 453086339 /nfs/dbraw/zinc/08/63/39/453086339.db2.gz NBLMLGFDTCGZQF-YRXWBPOGSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000664441229 453098202 /nfs/dbraw/zinc/09/82/02/453098202.db2.gz LQLVBTQVBHYHLR-YLFCFFPRSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000664441229 453098206 /nfs/dbraw/zinc/09/82/06/453098206.db2.gz LQLVBTQVBHYHLR-YLFCFFPRSA-N 1 3 340.512 1.515 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4c(s3)CCNC4)C2)CC1 ZINC000662458242 453167302 /nfs/dbraw/zinc/16/73/02/453167302.db2.gz RWYBHDJWESRCRL-AWEZNQCLSA-N 1 3 348.516 1.292 20 0 EDADHO CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCN(C)C1 ZINC000664550025 453187883 /nfs/dbraw/zinc/18/78/83/453187883.db2.gz BEYWIOUCBRXRRI-MRXNPFEDSA-N 1 3 349.479 1.258 20 0 EDADHO [NH3+][C@H](Cc1cn(CCCN2CCSCC2)nn1)c1ccccc1 ZINC000656449910 453192551 /nfs/dbraw/zinc/19/25/51/453192551.db2.gz IZEMUFGHPAYFQM-QGZVFWFLSA-N 1 3 331.489 1.960 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648780403 453262624 /nfs/dbraw/zinc/26/26/24/453262624.db2.gz HTDWTIHWNWTRDG-CVEARBPZSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648780403 453262636 /nfs/dbraw/zinc/26/26/36/453262636.db2.gz HTDWTIHWNWTRDG-CVEARBPZSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648780403 453262645 /nfs/dbraw/zinc/26/26/45/453262645.db2.gz HTDWTIHWNWTRDG-CVEARBPZSA-N 1 3 347.507 1.681 20 0 EDADHO N[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000662577065 453303043 /nfs/dbraw/zinc/30/30/43/453303043.db2.gz ZBACZRMDRMWNDW-UHOFOFEASA-N 1 3 343.406 1.193 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667095345 453401282 /nfs/dbraw/zinc/40/12/82/453401282.db2.gz BGAYGSNJFZWZME-MRXNPFEDSA-N 1 3 330.432 1.217 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662684189 453404300 /nfs/dbraw/zinc/40/43/00/453404300.db2.gz BPGIOFMKTGAWPB-CZUORRHYSA-N 1 3 341.415 1.400 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692578 453412078 /nfs/dbraw/zinc/41/20/78/453412078.db2.gz PSSYBWQUNFXZAN-GUDVDZBRSA-N 1 3 345.487 1.940 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000662699388 453419991 /nfs/dbraw/zinc/41/99/91/453419991.db2.gz QDVMLOISKKZFLA-KBMXLJTQSA-N 1 3 337.489 1.440 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662705019 453427874 /nfs/dbraw/zinc/42/78/74/453427874.db2.gz NAKSFJWZPCFNKJ-CQSZACIVSA-N 1 3 327.432 1.843 20 0 EDADHO O=C(N1CCN(c2ccncc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662754457 453489930 /nfs/dbraw/zinc/48/99/30/453489930.db2.gz OEPUWPTYIUKMJS-CQSZACIVSA-N 1 3 328.338 1.272 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793977 453528803 /nfs/dbraw/zinc/52/88/03/453528803.db2.gz LWSKEARBVVVWDT-ZMSDIMECSA-N 1 3 346.479 1.149 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000665049014 453553850 /nfs/dbraw/zinc/55/38/50/453553850.db2.gz ZOKYRBQWUGXKKW-KKUMJFAQSA-N 1 3 336.484 1.460 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000665049014 453553855 /nfs/dbraw/zinc/55/38/55/453553855.db2.gz ZOKYRBQWUGXKKW-KKUMJFAQSA-N 1 3 336.484 1.460 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662833838 453561200 /nfs/dbraw/zinc/56/12/00/453561200.db2.gz AHZSTDFHIWSPJZ-INMHGKMJSA-N 1 3 346.479 1.339 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659034353 453590506 /nfs/dbraw/zinc/59/05/06/453590506.db2.gz LYAWKQCTTGGVJH-ZWKOTPCHSA-N 1 3 344.459 1.953 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034353 453590511 /nfs/dbraw/zinc/59/05/11/453590511.db2.gz LYAWKQCTTGGVJH-ZWKOTPCHSA-N 1 3 344.459 1.953 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660840486 453600821 /nfs/dbraw/zinc/60/08/21/453600821.db2.gz XZTFNUJUOCOKPJ-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000659096812 453629235 /nfs/dbraw/zinc/62/92/35/453629235.db2.gz WOSMTERTNTWYMW-HNNXBMFYSA-N 1 3 332.448 1.334 20 0 EDADHO CN(C)CCN(C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665458718 453698801 /nfs/dbraw/zinc/69/88/01/453698801.db2.gz OKCFOIDGFAETRZ-UHFFFAOYSA-N 1 3 326.485 1.080 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657309921 453763969 /nfs/dbraw/zinc/76/39/69/453763969.db2.gz JWHPGBHEQTUAJV-INIZCTEOSA-N 1 3 328.464 1.383 20 0 EDADHO CC[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416842 453783772 /nfs/dbraw/zinc/78/37/72/453783772.db2.gz XTACPZDHOJUWET-KSZLIROESA-N 1 3 333.476 1.433 20 0 EDADHO CN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000663444631 453800835 /nfs/dbraw/zinc/80/08/35/453800835.db2.gz CQVJJRIEQVJYCM-GOSISDBHSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000663444631 453800837 /nfs/dbraw/zinc/80/08/37/453800837.db2.gz CQVJJRIEQVJYCM-GOSISDBHSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@@H](O)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307928 486651137 /nfs/dbraw/zinc/65/11/37/486651137.db2.gz ZDFUYPBYBPJOFV-DLBZAZTESA-N 1 3 335.492 1.514 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940341 486687778 /nfs/dbraw/zinc/68/77/78/486687778.db2.gz CKEAFYNRJALPBS-MOPGFXCFSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CCN(C)CC1 ZINC000679994264 486691770 /nfs/dbraw/zinc/69/17/70/486691770.db2.gz QCHZCHIXTMWMEX-GOEBONIOSA-N 1 3 333.480 1.231 20 0 EDADHO CCS(=O)(=O)N1CCC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000680471098 486783768 /nfs/dbraw/zinc/78/37/68/486783768.db2.gz UWGHJOXMMFERLU-CVEARBPZSA-N 1 3 329.510 1.265 20 0 EDADHO CCS(=O)(=O)N1CCC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000680471098 486783774 /nfs/dbraw/zinc/78/37/74/486783774.db2.gz UWGHJOXMMFERLU-CVEARBPZSA-N 1 3 329.510 1.265 20 0 EDADHO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000680471098 486783780 /nfs/dbraw/zinc/78/37/80/486783780.db2.gz UWGHJOXMMFERLU-CVEARBPZSA-N 1 3 329.510 1.265 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734272 486810132 /nfs/dbraw/zinc/81/01/32/486810132.db2.gz JQLKMSNHIAKUCX-DLBZAZTESA-N 1 3 330.476 1.655 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537215 486830150 /nfs/dbraw/zinc/83/01/50/486830150.db2.gz TYMGHJGGCGTFCT-WBVHZDCISA-N 1 3 344.459 1.206 20 0 EDADHO COc1cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000667642389 486895295 /nfs/dbraw/zinc/89/52/95/486895295.db2.gz ZWPYQBUNYLCOME-UHFFFAOYSA-N 1 3 346.475 1.308 20 0 EDADHO C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044886 487221009 /nfs/dbraw/zinc/22/10/09/487221009.db2.gz RVZMCIPDWLKINU-QAPCUYQASA-N 1 3 331.460 1.775 20 0 EDADHO O=C(CN1CCC[C@@H](C[C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000678635489 487346319 /nfs/dbraw/zinc/34/63/19/487346319.db2.gz DJIJYYHBRPFOMH-IRXDYDNUSA-N 1 3 349.519 1.868 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000682556143 487388273 /nfs/dbraw/zinc/38/82/73/487388273.db2.gz DVWQGFKPDWKSPK-CGTJXYLNSA-N 1 3 331.460 1.713 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000675205853 487389258 /nfs/dbraw/zinc/38/92/58/487389258.db2.gz SYERVIYZCFFZAG-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CCN(C)CC1 ZINC000679710628 487460948 /nfs/dbraw/zinc/46/09/48/487460948.db2.gz MCVSVJNBBPXXGA-OAHLLOKOSA-N 1 3 329.448 1.564 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417874260 485478217 /nfs/dbraw/zinc/47/82/17/485478217.db2.gz MVHJJJPNHCTFQB-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCO1 ZINC000669552596 485546455 /nfs/dbraw/zinc/54/64/55/485546455.db2.gz CHBSHYLOFMBRKN-INMHGKMJSA-N 1 3 334.464 1.265 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669552611 485547311 /nfs/dbraw/zinc/54/73/11/485547311.db2.gz DXYNVEKQZRDFMP-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669556094 485558984 /nfs/dbraw/zinc/55/89/84/485558984.db2.gz FHVXRHSRQYOLJL-ROUUACIJSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561059 485569260 /nfs/dbraw/zinc/56/92/60/485569260.db2.gz AYGYQRVXPSPKLJ-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000669600538 485676684 /nfs/dbraw/zinc/67/66/84/485676684.db2.gz WXYQJSOEUWRLHR-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000673778506 485722388 /nfs/dbraw/zinc/72/23/88/485722388.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000673778506 485722395 /nfs/dbraw/zinc/72/23/95/485722395.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669139237 485730464 /nfs/dbraw/zinc/73/04/64/485730464.db2.gz SLBSROZJVDWGCB-SJLPKXTDSA-N 1 3 346.475 1.520 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687447 486165818 /nfs/dbraw/zinc/16/58/18/486165818.db2.gz OWVZIKYPNTVKFT-ZBFHGGJFSA-N 1 3 334.468 1.535 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000638936846 486195947 /nfs/dbraw/zinc/19/59/47/486195947.db2.gz SCNCIVFJVIZMOL-IRXDYDNUSA-N 1 3 330.476 1.537 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CCN1Cc1ccccc1 ZINC000379666814 486636782 /nfs/dbraw/zinc/63/67/82/486636782.db2.gz XQVSIWXMWABAGT-HOCLYGCPSA-N 1 3 342.447 1.020 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117569 491171509 /nfs/dbraw/zinc/17/15/09/491171509.db2.gz LYZWLBSNCINZEA-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117569 491171510 /nfs/dbraw/zinc/17/15/10/491171510.db2.gz LYZWLBSNCINZEA-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000154961101 533842147 /nfs/dbraw/zinc/84/21/47/533842147.db2.gz FFTQVUXVZUSITQ-ROUUACIJSA-N 1 3 348.535 1.914 20 0 EDADHO CCN1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000153644199 529029510 /nfs/dbraw/zinc/02/95/10/529029510.db2.gz BJAHUIAFFBLFPP-UHFFFAOYSA-N 1 3 349.479 1.259 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000353705920 534936436 /nfs/dbraw/zinc/93/64/36/534936436.db2.gz OMXUXFQQBPCKLE-OALUTQOASA-N 1 3 347.503 1.848 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)CN2C)CC1 ZINC000346870563 535265016 /nfs/dbraw/zinc/26/50/16/535265016.db2.gz WVIHBTVPCYIULO-IAGOWNOFSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000333458017 535330693 /nfs/dbraw/zinc/33/06/93/535330693.db2.gz YPQYHZMMOLAYIW-BHYGNILZSA-N 1 3 338.496 1.255 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388264 /nfs/dbraw/zinc/38/82/64/579388264.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 1 3 339.505 1.681 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388266 /nfs/dbraw/zinc/38/82/66/579388266.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 1 3 339.505 1.681 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCSC(F)(F)F ZINC000741079991 579396518 /nfs/dbraw/zinc/39/65/18/579396518.db2.gz VBXBGTJTSMFLID-UHFFFAOYSA-N 1 3 330.420 1.374 20 0 EDADHO COC1CCN(CCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000751040204 578546556 /nfs/dbraw/zinc/54/65/56/578546556.db2.gz VDQHCKOARNDGDY-UHFFFAOYSA-N 1 3 330.542 1.149 20 0 EDADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000760161536 580024706 /nfs/dbraw/zinc/02/47/06/580024706.db2.gz YOHBJDAPOGREMV-OLZOCXBDSA-N 1 3 334.407 1.400 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179227 /nfs/dbraw/zinc/17/92/27/580179227.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 1 3 337.489 1.293 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179228 /nfs/dbraw/zinc/17/92/28/580179228.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 1 3 337.489 1.293 20 0 EDADHO CN1CCC[C@H]2C[N@H+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179229 /nfs/dbraw/zinc/17/92/29/580179229.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 1 3 337.489 1.293 20 0 EDADHO CN1CCC[C@H]2C[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179230 /nfs/dbraw/zinc/17/92/30/580179230.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 1 3 337.489 1.293 20 0 EDADHO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000773002922 580325077 /nfs/dbraw/zinc/32/50/77/580325077.db2.gz AQNCOAPZESMZGR-WBVHZDCISA-N 1 3 333.476 1.883 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)NC1CC[NH2+]CC1)C2 ZINC000891961065 590709631 /nfs/dbraw/zinc/70/96/31/590709631.db2.gz GTAYZUTUEYYWQK-FXAWDEMLSA-N 1 3 342.487 1.902 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980437 590722016 /nfs/dbraw/zinc/72/20/16/590722016.db2.gz VIBYHTFXQDISSW-QZTJIDSGSA-N 1 3 330.476 1.868 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 ZINC000893249410 590735129 /nfs/dbraw/zinc/73/51/29/590735129.db2.gz QWHSWCNTFJMOMK-DLBZAZTESA-N 1 3 338.496 1.101 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000172 590737278 /nfs/dbraw/zinc/73/72/78/590737278.db2.gz PTEXCNDAZBOCPL-AEFFLSMTSA-N 1 3 330.476 1.868 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000892479820 591041928 /nfs/dbraw/zinc/04/19/28/591041928.db2.gz PNJQUEOBTHVRLO-IRXDYDNUSA-N 1 3 346.475 1.473 20 0 EDADHO CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000892479892 591042221 /nfs/dbraw/zinc/04/22/21/591042221.db2.gz SNYXRBMFOMLKPQ-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891341021 591050399 /nfs/dbraw/zinc/05/03/99/591050399.db2.gz XVVAGEBBSCKMCJ-KDURUIRLSA-N 1 3 342.487 1.839 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530761 591061041 /nfs/dbraw/zinc/06/10/41/591061041.db2.gz XDAYLNHNFMYXNL-BPQIPLTHSA-N 1 3 346.475 1.327 20 0 EDADHO COC(=O)c1c[nH]c(C[NH2+]C2CCN(CCN(C)C)CC2)c1C1CC1 ZINC000892545135 591067260 /nfs/dbraw/zinc/06/72/60/591067260.db2.gz JUBLPIXQBVBYJJ-UHFFFAOYSA-N 1 3 348.491 1.794 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565802 591074668 /nfs/dbraw/zinc/07/46/68/591074668.db2.gz KVDGXSDIYSUVPW-LNLFQRSKSA-N 1 3 346.475 1.002 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536065 591111372 /nfs/dbraw/zinc/11/13/72/591111372.db2.gz CDGSEXRNUHYHIZ-KRWDZBQOSA-N 1 3 346.475 1.242 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538127 591112919 /nfs/dbraw/zinc/11/29/19/591112919.db2.gz QFKFTJPKXTWEGS-WMZOPIPTSA-N 1 3 338.496 1.272 20 0 EDADHO C[NH+](C)C1(CNC(=O)NCc2cc(N)ccn2)Cc2ccccc2C1 ZINC000891597333 591141965 /nfs/dbraw/zinc/14/19/65/591141965.db2.gz NNCKLCBORQPGBQ-UHFFFAOYSA-N 1 3 339.443 1.562 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000891626676 591155969 /nfs/dbraw/zinc/15/59/69/591155969.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000891626676 591155974 /nfs/dbraw/zinc/15/59/74/591155974.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1Cc3ccccc3CN1)C2 ZINC000892790649 591176853 /nfs/dbraw/zinc/17/68/53/591176853.db2.gz HLBYCJWWHWWQLK-YTQUADARSA-N 1 3 328.460 1.342 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892810271 591188801 /nfs/dbraw/zinc/18/88/01/591188801.db2.gz JRHYZZNIAYOXBW-MSOLQXFVSA-N 1 3 328.460 1.581 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cnc[nH]3)c2)C1 ZINC000894252972 591248832 /nfs/dbraw/zinc/24/88/32/591248832.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 1 3 327.432 1.397 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cnc[nH]3)c2)C1 ZINC000894252972 591248835 /nfs/dbraw/zinc/24/88/35/591248835.db2.gz UHNVZDFYFQKDLW-INIZCTEOSA-N 1 3 327.432 1.397 20 0 EDADHO C[C@@H]1C[C@@]2(CC[C@H](CNC3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819271 591281009 /nfs/dbraw/zinc/28/10/09/591281009.db2.gz WIGDBEZRLAQNEU-KYJSFNMBSA-N 1 3 326.481 1.538 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000895846338 591286912 /nfs/dbraw/zinc/28/69/12/591286912.db2.gz VZHGBLFOFYDOBT-HIFRSBDPSA-N 1 3 330.314 1.872 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895887599 591297260 /nfs/dbraw/zinc/29/72/60/591297260.db2.gz DGLMJLKWFRRPCW-RTBURBONSA-N 1 3 345.487 1.906 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895887599 591297261 /nfs/dbraw/zinc/29/72/61/591297261.db2.gz DGLMJLKWFRRPCW-RTBURBONSA-N 1 3 345.487 1.906 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000897438272 591451313 /nfs/dbraw/zinc/45/13/13/591451313.db2.gz UOJQAIXUBYZYRY-INIZCTEOSA-N 1 3 338.496 1.082 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000897438272 591451316 /nfs/dbraw/zinc/45/13/16/591451316.db2.gz UOJQAIXUBYZYRY-INIZCTEOSA-N 1 3 338.496 1.082 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C1CN(C2CCOCC2)C1)C(C)C ZINC000896789479 591612773 /nfs/dbraw/zinc/61/27/73/591612773.db2.gz DXCZWXYGXNEPEK-UHFFFAOYSA-N 1 3 325.497 1.722 20 0 EDADHO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000899147834 591708201 /nfs/dbraw/zinc/70/82/01/591708201.db2.gz CRMUODUMOLPSDA-INIZCTEOSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCC(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000895318590 591710712 /nfs/dbraw/zinc/71/07/12/591710712.db2.gz PQOSCVXDKCUSGU-HDICACEKSA-N 1 3 341.455 1.445 20 0 EDADHO CN1CCC(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000895318590 591710714 /nfs/dbraw/zinc/71/07/14/591710714.db2.gz PQOSCVXDKCUSGU-HDICACEKSA-N 1 3 341.455 1.445 20 0 EDADHO CN1CC[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240777 591782530 /nfs/dbraw/zinc/78/25/30/591782530.db2.gz PTZSMVCWZNOICU-RBUKOAKNSA-N 1 3 343.471 1.659 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC000898333811 591875602 /nfs/dbraw/zinc/87/56/02/591875602.db2.gz WXIGCWACERVTJR-RDJZCZTQSA-N 1 3 348.491 1.972 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnn1CCN(C)C ZINC000900214208 591945354 /nfs/dbraw/zinc/94/53/54/591945354.db2.gz BPIOVGSILHFQCK-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccnn1CCN(C)C ZINC000900214208 591945356 /nfs/dbraw/zinc/94/53/56/591945356.db2.gz BPIOVGSILHFQCK-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)c2ccnn2CCN(C)C)CC1 ZINC000900215977 591946000 /nfs/dbraw/zinc/94/60/00/591946000.db2.gz JAJAZTMIIFGNAP-UHFFFAOYSA-N 1 3 335.496 1.687 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000900285808 591972095 /nfs/dbraw/zinc/97/20/95/591972095.db2.gz DDQLCBCBWKTQPW-UHFFFAOYSA-N 1 3 343.471 1.872 20 0 EDADHO Cc1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000900406224 592009388 /nfs/dbraw/zinc/00/93/88/592009388.db2.gz PBWXCDDHMPSTMQ-PKOBYXMFSA-N 1 3 333.476 1.561 20 0 EDADHO Cc1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000900406224 592009391 /nfs/dbraw/zinc/00/93/91/592009391.db2.gz PBWXCDDHMPSTMQ-PKOBYXMFSA-N 1 3 333.476 1.561 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900696498 592089370 /nfs/dbraw/zinc/08/93/70/592089370.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 1 3 336.524 1.393 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900696498 592089373 /nfs/dbraw/zinc/08/93/73/592089373.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903118569 592123435 /nfs/dbraw/zinc/12/34/35/592123435.db2.gz FJNKCFQPOWPJBA-HKUYNNGSSA-N 1 3 347.459 1.016 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000900794151 592125690 /nfs/dbraw/zinc/12/56/90/592125690.db2.gz TUDGXPYJJRWMTL-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO OC1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CCN(Cc2ccccc2)CC1 ZINC000903189292 592136256 /nfs/dbraw/zinc/13/62/56/592136256.db2.gz AGWRYHCLMICXDF-AZUAARDMSA-N 1 3 346.471 1.551 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000903432621 592168696 /nfs/dbraw/zinc/16/86/96/592168696.db2.gz HHRCQNBOBISLRG-ZBFHGGJFSA-N 1 3 335.517 1.974 20 0 EDADHO CCCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509162 592189531 /nfs/dbraw/zinc/18/95/31/592189531.db2.gz CIGWXGGBOQBGSK-NXHRZFHOSA-N 1 3 336.524 1.582 20 0 EDADHO CCCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509162 592189533 /nfs/dbraw/zinc/18/95/33/592189533.db2.gz CIGWXGGBOQBGSK-NXHRZFHOSA-N 1 3 336.524 1.582 20 0 EDADHO O=C1CC[C@@H](NCc2cnc(Cl)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903524956 592197737 /nfs/dbraw/zinc/19/77/37/592197737.db2.gz GRSCZNRPUNDBBT-YPMHNXCESA-N 1 3 328.869 1.533 20 0 EDADHO C[C@@]1([C@@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)COC(=O)N1 ZINC000903560860 592210059 /nfs/dbraw/zinc/21/00/59/592210059.db2.gz BZLQUTWOSHSSRY-DFEOGRTESA-N 1 3 347.459 1.128 20 0 EDADHO C[C@@]1([C@@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)COC(=O)N1 ZINC000903560860 592210061 /nfs/dbraw/zinc/21/00/61/592210061.db2.gz BZLQUTWOSHSSRY-DFEOGRTESA-N 1 3 347.459 1.128 20 0 EDADHO C[C@@]1([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)COC(=O)N1 ZINC000903560860 592210063 /nfs/dbraw/zinc/21/00/63/592210063.db2.gz BZLQUTWOSHSSRY-DFEOGRTESA-N 1 3 347.459 1.128 20 0 EDADHO CC(C)(C)CC[C@H]([NH3+])CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000904362203 592238073 /nfs/dbraw/zinc/23/80/73/592238073.db2.gz IJRBRAWGDZMELW-ZDUSSCGKSA-N 1 3 331.526 1.686 20 0 EDADHO CCn1ccnc(N2CCC([NH2+]C[C@H](N)CCC(C)(C)C)CC2)c1=O ZINC000904368103 592239286 /nfs/dbraw/zinc/23/92/86/592239286.db2.gz HYXGAQXEZOQFFF-OAHLLOKOSA-N 1 3 349.523 1.975 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000904407143 592250499 /nfs/dbraw/zinc/25/04/99/592250499.db2.gz OBHINRUFSKUBIT-HXUWFJFHSA-N 1 3 346.519 1.504 20 0 EDADHO CCc1noc([C@@H]2CC[C@@H]([NH2+]C[C@@H](CN)Cc3cnn(C)c3C)C2)n1 ZINC000904428696 592253244 /nfs/dbraw/zinc/25/32/44/592253244.db2.gz PIDAQWMPJCZYFQ-IIAWOOMASA-N 1 3 346.479 1.717 20 0 EDADHO CCc1noc([C@@H]2CC[C@@H](NC[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000904428696 592253246 /nfs/dbraw/zinc/25/32/46/592253246.db2.gz PIDAQWMPJCZYFQ-IIAWOOMASA-N 1 3 346.479 1.717 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000906672210 592254132 /nfs/dbraw/zinc/25/41/32/592254132.db2.gz JGFPUVHJQQUIBO-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000906672210 592254137 /nfs/dbraw/zinc/25/41/37/592254137.db2.gz JGFPUVHJQQUIBO-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO COC(=O)CCC1([NH2+]C[C@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000904433438 592255947 /nfs/dbraw/zinc/25/59/47/592255947.db2.gz NOJCQZVDHLOEIF-OAHLLOKOSA-N 1 3 339.480 1.429 20 0 EDADHO CN(C[C@@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725615 592285306 /nfs/dbraw/zinc/28/53/06/592285306.db2.gz DSGMWGOMUNUUJP-MOPGFXCFSA-N 1 3 348.487 1.655 20 0 EDADHO O=C(NC1CCCCC1)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727674 592286036 /nfs/dbraw/zinc/28/60/36/592286036.db2.gz WWLUSLSMOOTQAC-UYAOXDASSA-N 1 3 349.519 1.916 20 0 EDADHO Cc1ccc(N(C)C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739156 592300808 /nfs/dbraw/zinc/30/08/08/592300808.db2.gz DDESWLBGJUSAKK-MJGOQNOKSA-N 1 3 345.491 1.454 20 0 EDADHO COC(=O)c1cc(C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779077 592319573 /nfs/dbraw/zinc/31/95/73/592319573.db2.gz TZSOEUKVZIQXAT-KBXCAEBGSA-N 1 3 349.431 1.409 20 0 EDADHO O=C(Cc1ccccc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879503 592360112 /nfs/dbraw/zinc/36/01/12/592360112.db2.gz CFYKDWZHPUYGLB-YQQQUEKLSA-N 1 3 327.472 1.904 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCN(CC2CCCCC2)CC1 ZINC000903880918 592360535 /nfs/dbraw/zinc/36/05/35/592360535.db2.gz XIRXFECGVZKBMM-GOSISDBHSA-N 1 3 346.523 1.901 20 0 EDADHO CN(CCN1CCN(C[C@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892351 592364879 /nfs/dbraw/zinc/36/48/79/592364879.db2.gz RFCVPSZAMUDAJN-QGZVFWFLSA-N 1 3 340.462 1.719 20 0 EDADHO Cc1nc([C@@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898369 592368593 /nfs/dbraw/zinc/36/85/93/592368593.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1n[nH]c([C@@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898369 592368599 /nfs/dbraw/zinc/36/85/99/592368599.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1nnc([C@@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898369 592368605 /nfs/dbraw/zinc/36/86/05/592368605.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2C[C@H](C)NCc3ccc(F)cc32)cnn1C ZINC000903918726 592376760 /nfs/dbraw/zinc/37/67/60/592376760.db2.gz GFBHKCMUDHHMNO-ZFWWWQNUSA-N 1 3 345.466 1.983 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922980 592378066 /nfs/dbraw/zinc/37/80/66/592378066.db2.gz ISGZMKQBLNQISQ-DOTOQJQBSA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922980 592378072 /nfs/dbraw/zinc/37/80/72/592378072.db2.gz ISGZMKQBLNQISQ-DOTOQJQBSA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNCc2ccc(F)c(CN(C)C)c2)cnn1C ZINC000903924252 592379003 /nfs/dbraw/zinc/37/90/03/592379003.db2.gz AMYRFEUOMDAYKY-MRXNPFEDSA-N 1 3 347.482 1.836 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+]CCn2c3ccccc3[nH]c2=O)cnn1C ZINC000903925597 592379018 /nfs/dbraw/zinc/37/90/18/592379018.db2.gz OSKBPQQMOXYVMW-CQSZACIVSA-N 1 3 342.447 1.191 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202079 592379649 /nfs/dbraw/zinc/37/96/49/592379649.db2.gz IFEWPQOGSGVXLK-ROUUACIJSA-N 1 3 331.460 1.081 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202079 592379654 /nfs/dbraw/zinc/37/96/54/592379654.db2.gz IFEWPQOGSGVXLK-ROUUACIJSA-N 1 3 331.460 1.081 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903925136 592379881 /nfs/dbraw/zinc/37/98/81/592379881.db2.gz KSOGKEINILHFLT-MLGOLLRUSA-N 1 3 332.496 1.417 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)NC[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925136 592379888 /nfs/dbraw/zinc/37/98/88/592379888.db2.gz KSOGKEINILHFLT-MLGOLLRUSA-N 1 3 332.496 1.417 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932163 592383937 /nfs/dbraw/zinc/38/39/37/592383937.db2.gz NJUQYEOSUCHWKO-APWZRJJASA-N 1 3 328.460 1.999 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000905073574 592403133 /nfs/dbraw/zinc/40/31/33/592403133.db2.gz DTCIXENIYXIGAE-CEXWTWQISA-N 1 3 334.460 1.407 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000905073574 592403136 /nfs/dbraw/zinc/40/31/36/592403136.db2.gz DTCIXENIYXIGAE-CEXWTWQISA-N 1 3 334.460 1.407 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098486 592404286 /nfs/dbraw/zinc/40/42/86/592404286.db2.gz SSYSUIKFJISLFR-UFYCRDLUSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098486 592404291 /nfs/dbraw/zinc/40/42/91/592404291.db2.gz SSYSUIKFJISLFR-UFYCRDLUSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098486 592404295 /nfs/dbraw/zinc/40/42/95/592404295.db2.gz SSYSUIKFJISLFR-UFYCRDLUSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCCC1 ZINC000905143341 592435997 /nfs/dbraw/zinc/43/59/97/592435997.db2.gz ALGFKRBQAOKSHA-IBGZPJMESA-N 1 3 348.487 1.399 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(O)CCCC1 ZINC000905143341 592436000 /nfs/dbraw/zinc/43/60/00/592436000.db2.gz ALGFKRBQAOKSHA-IBGZPJMESA-N 1 3 348.487 1.399 20 0 EDADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C1(O)CCCC1 ZINC000905357798 592506130 /nfs/dbraw/zinc/50/61/30/592506130.db2.gz BUAPVTQEDSCVRN-OTWHNJEPSA-N 1 3 348.487 1.125 20 0 EDADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C1(O)CCCC1 ZINC000905357798 592506132 /nfs/dbraw/zinc/50/61/32/592506132.db2.gz BUAPVTQEDSCVRN-OTWHNJEPSA-N 1 3 348.487 1.125 20 0 EDADHO C[NH+]1CCC2(CCC(NC(=O)[C@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000908489565 592516387 /nfs/dbraw/zinc/51/63/87/592516387.db2.gz GFSOEVSEPFXSRD-IAGOWNOFSA-N 1 3 335.492 1.620 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503735 592546869 /nfs/dbraw/zinc/54/68/69/592546869.db2.gz UEJWLPJMRAJHEJ-MRLBHPIUSA-N 1 3 338.414 1.759 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503735 592546871 /nfs/dbraw/zinc/54/68/71/592546871.db2.gz UEJWLPJMRAJHEJ-MRLBHPIUSA-N 1 3 338.414 1.759 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000905497135 592553738 /nfs/dbraw/zinc/55/37/38/592553738.db2.gz WYHPKKPCUVTEDP-PNKHAZJDSA-N 1 3 328.497 1.232 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000905624466 592589174 /nfs/dbraw/zinc/58/91/74/592589174.db2.gz NVZRHIMUFAUVMD-XHSDSOJGSA-N 1 3 341.496 1.726 20 0 EDADHO C[C@H](O)CN1CCC(C[N@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932696 592687696 /nfs/dbraw/zinc/68/76/96/592687696.db2.gz NXKJIQDBEUGERS-WIUDPPPLSA-N 1 3 330.416 1.280 20 0 EDADHO C[C@H](O)CN1CCC(C[N@@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932696 592687697 /nfs/dbraw/zinc/68/76/97/592687697.db2.gz NXKJIQDBEUGERS-WIUDPPPLSA-N 1 3 330.416 1.280 20 0 EDADHO CC(C)C[C@@H](N)C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000906096119 592740732 /nfs/dbraw/zinc/74/07/32/592740732.db2.gz BGZXFRKSGGLKKI-KGLIPLIRSA-N 1 3 336.505 1.987 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)CCN1CCN(C(C)C)CC1 ZINC000907658461 592745517 /nfs/dbraw/zinc/74/55/17/592745517.db2.gz VBOCJPFBTNHHDP-UHFFFAOYSA-N 1 3 326.529 1.593 20 0 EDADHO CC[C@H]1CN(CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212551 592771079 /nfs/dbraw/zinc/77/10/79/592771079.db2.gz OVFLWCAYDZVVMB-SFHVURJKSA-N 1 3 338.540 1.735 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489839 592830888 /nfs/dbraw/zinc/83/08/88/592830888.db2.gz VONKFBDENDCXBG-HZPDHXFCSA-N 1 3 333.480 1.455 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489839 592830890 /nfs/dbraw/zinc/83/08/90/592830890.db2.gz VONKFBDENDCXBG-HZPDHXFCSA-N 1 3 333.480 1.455 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000906581188 592857677 /nfs/dbraw/zinc/85/76/77/592857677.db2.gz SULXMLUPIDNQLG-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000906581188 592857678 /nfs/dbraw/zinc/85/76/78/592857678.db2.gz SULXMLUPIDNQLG-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911833814 593019153 /nfs/dbraw/zinc/01/91/53/593019153.db2.gz RIHRIIRDYDSXGA-BDJLRTHQSA-N 1 3 331.382 1.853 20 0 EDADHO C[C@@H](CNC(=O)NCCCCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000737036831 593053694 /nfs/dbraw/zinc/05/36/94/593053694.db2.gz MCERPMKDPPFDET-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO O=C1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C(=O)N1 ZINC000814639848 593599069 /nfs/dbraw/zinc/59/90/69/593599069.db2.gz GUYQKAVQAFHGBZ-KRWDZBQOSA-N 1 3 341.455 1.780 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)ccn1 ZINC000822861225 594112908 /nfs/dbraw/zinc/11/29/08/594112908.db2.gz BLEXWSOYECNHQU-DYVFJYSZSA-N 1 3 329.404 1.539 20 0 EDADHO COCCN(C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828395316 594409043 /nfs/dbraw/zinc/40/90/43/594409043.db2.gz JGZUWDOODYRAPN-CYBMUJFWSA-N 1 3 328.844 1.128 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)CC1 ZINC000827227665 594654759 /nfs/dbraw/zinc/65/47/59/594654759.db2.gz JXZXCJWVGVNNDK-SFHVURJKSA-N 1 3 348.422 1.024 20 0 EDADHO [NH3+][C@@H](CC(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000827341186 594662736 /nfs/dbraw/zinc/66/27/36/594662736.db2.gz VGNYQLZJTOCBSA-IBGZPJMESA-N 1 3 344.503 1.832 20 0 EDADHO Cc1ccc(N2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841003078 594837730 /nfs/dbraw/zinc/83/77/30/594837730.db2.gz MHSWFRSAUDTERM-SFHVURJKSA-N 1 3 344.503 1.704 20 0 EDADHO Cc1ccc(N2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841003078 594837732 /nfs/dbraw/zinc/83/77/32/594837732.db2.gz MHSWFRSAUDTERM-SFHVURJKSA-N 1 3 344.503 1.704 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000841050429 594844491 /nfs/dbraw/zinc/84/44/91/594844491.db2.gz GYMISHBDVQKDDK-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847013 594964322 /nfs/dbraw/zinc/96/43/22/594964322.db2.gz GFTLSCDLIMUVTF-CYBMUJFWSA-N 1 3 333.432 1.922 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847517 594964894 /nfs/dbraw/zinc/96/48/94/594964894.db2.gz PJKTXWQLOOYMIH-GFCCVEGCSA-N 1 3 331.416 1.674 20 0 EDADHO COC[C@]1(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850920 594965175 /nfs/dbraw/zinc/96/51/75/594965175.db2.gz IVBLXBWIMQEMIF-XJKSGUPXSA-N 1 3 340.855 1.318 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842012297 595002231 /nfs/dbraw/zinc/00/22/31/595002231.db2.gz ZWJZZAULAHWSDF-MSOLQXFVSA-N 1 3 332.492 1.930 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000842015389 595003007 /nfs/dbraw/zinc/00/30/07/595003007.db2.gz KJVSNTLMPWNXPU-LSDHHAIUSA-N 1 3 346.475 1.313 20 0 EDADHO CCCCCCN(C)CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842510331 595122999 /nfs/dbraw/zinc/12/29/99/595122999.db2.gz OCZLCBODVDHIDQ-UHFFFAOYSA-N 1 3 338.540 1.831 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000834564477 595163739 /nfs/dbraw/zinc/16/37/39/595163739.db2.gz LBZYLQAELLQKGE-DLBZAZTESA-N 1 3 329.460 1.114 20 0 EDADHO COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]c2c1CNCC2 ZINC000844173319 595291397 /nfs/dbraw/zinc/29/13/97/595291397.db2.gz ULOUENFADOGBNE-UHFFFAOYSA-N 1 3 329.404 1.378 20 0 EDADHO CN(C(=O)C[C@H]([NH3+])C1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000844177896 595293511 /nfs/dbraw/zinc/29/35/11/595293511.db2.gz RMPFHYBIDRIVPV-SFHVURJKSA-N 1 3 330.476 1.674 20 0 EDADHO CN(C)CCOc1cc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000843191722 595302618 /nfs/dbraw/zinc/30/26/18/595302618.db2.gz KZAAOJANDGRQKE-AWEZNQCLSA-N 1 3 331.420 1.757 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)OC3=O)CC2)CC1 ZINC000848073028 595315062 /nfs/dbraw/zinc/31/50/62/595315062.db2.gz IBMXXBOEKZQOAI-XJKSGUPXSA-N 1 3 337.464 1.003 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCO)C3CC3)CC2)CC1 ZINC000847585163 595452934 /nfs/dbraw/zinc/45/29/34/595452934.db2.gz OTPRVAJUUKWLEM-GOSISDBHSA-N 1 3 337.508 1.460 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCCO)CC2)CC1 ZINC000847662396 595465043 /nfs/dbraw/zinc/46/50/43/595465043.db2.gz NOENWBVXMDXSDT-UHFFFAOYSA-N 1 3 339.524 1.852 20 0 EDADHO [NH2+]=C(NCCn1ccnc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849053306 595475859 /nfs/dbraw/zinc/47/58/59/595475859.db2.gz WPFNMRKBLDVFMV-UHFFFAOYSA-N 1 3 326.448 1.662 20 0 EDADHO [NH2+]=C(NC[C@@H]1CCCNC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000849115973 595484587 /nfs/dbraw/zinc/48/45/87/595484587.db2.gz HNTDSDBHNDGDIA-INIZCTEOSA-N 1 3 343.475 1.291 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000849552248 595562964 /nfs/dbraw/zinc/56/29/64/595562964.db2.gz MVRZIAWJAHRACY-USXIJHARSA-N 1 3 349.523 1.548 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)C2=NO[C@H](CN)C2)cc1Cl ZINC000852861778 595583405 /nfs/dbraw/zinc/58/34/05/595583405.db2.gz JKFHXMNNOSBOMS-NSHDSACASA-N 1 3 340.811 1.323 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852870287 595589428 /nfs/dbraw/zinc/58/94/28/595589428.db2.gz CHEMJOOAERZLFE-IIAWOOMASA-N 1 3 344.459 1.363 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594506 /nfs/dbraw/zinc/59/45/06/595594506.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 1 3 349.523 1.550 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594510 /nfs/dbraw/zinc/59/45/10/595594510.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 1 3 349.523 1.550 20 0 EDADHO CN(C)Cc1ccc(C[N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211817 596005671 /nfs/dbraw/zinc/00/56/71/596005671.db2.gz ALWJMXBADQIUON-QGZVFWFLSA-N 1 3 339.505 1.462 20 0 EDADHO CN(C)Cc1ccc(C[N@@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211817 596005674 /nfs/dbraw/zinc/00/56/74/596005674.db2.gz ALWJMXBADQIUON-QGZVFWFLSA-N 1 3 339.505 1.462 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570774 596254697 /nfs/dbraw/zinc/25/46/97/596254697.db2.gz QGEHACKFZGCFDW-GOEBONIOSA-N 1 3 345.553 1.934 20 0 EDADHO CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)NC(=O)OC(C)(C)C ZINC000863551118 596615348 /nfs/dbraw/zinc/61/53/48/596615348.db2.gz CWTVXKVVBJFSIV-LSDHHAIUSA-N 1 3 329.485 1.582 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000863666587 596650993 /nfs/dbraw/zinc/65/09/93/596650993.db2.gz CYOJEGXUBDTONR-HNNXBMFYSA-N 1 3 340.431 1.778 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)cc2)CC1 ZINC000868096379 596684712 /nfs/dbraw/zinc/68/47/12/596684712.db2.gz KUZHIIHBDVOGSF-HZPDHXFCSA-N 1 3 345.491 1.887 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870019453 596710827 /nfs/dbraw/zinc/71/08/27/596710827.db2.gz GCFQXWRNAZONTG-CHWSQXEVSA-N 1 3 339.867 1.857 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CNCCC3(F)F)cn2)CC1 ZINC000868190041 596716985 /nfs/dbraw/zinc/71/69/85/596716985.db2.gz HXOGEQGPUUBLPQ-CYBMUJFWSA-N 1 3 342.394 1.269 20 0 EDADHO C[C@H](CCc1cccnc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000866373269 596868868 /nfs/dbraw/zinc/86/88/68/596868868.db2.gz MOQSGQJVAVYLDU-GOSISDBHSA-N 1 3 346.519 1.789 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccns1 ZINC000875712943 596957474 /nfs/dbraw/zinc/95/74/74/596957474.db2.gz DSDHLJHXLFAEBY-STQMWFEESA-N 1 3 327.498 1.775 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccns1 ZINC000875712943 596957475 /nfs/dbraw/zinc/95/74/75/596957475.db2.gz DSDHLJHXLFAEBY-STQMWFEESA-N 1 3 327.498 1.775 20 0 EDADHO CCN(CCO)CCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876029060 597068465 /nfs/dbraw/zinc/06/84/65/597068465.db2.gz JYCXXIBZFHOVFS-UHFFFAOYSA-N 1 3 328.501 1.110 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000874432703 597076748 /nfs/dbraw/zinc/07/67/48/597076748.db2.gz PPCLZBQJDTWHLU-FGTMMUONSA-N 1 3 328.460 1.797 20 0 EDADHO CC(C)n1cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cn1 ZINC000873218665 597231022 /nfs/dbraw/zinc/23/10/22/597231022.db2.gz NKUHYQLQPRAWBF-UHFFFAOYSA-N 1 3 325.420 1.793 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1csc(C2CC[NH2+]CC2)n1 ZINC000876793490 597341952 /nfs/dbraw/zinc/34/19/52/597341952.db2.gz FBVYSGPZSZCIAE-UHFFFAOYSA-N 1 3 343.456 1.903 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COC1CC[NH2+]CC1 ZINC000877030962 597417636 /nfs/dbraw/zinc/41/76/36/597417636.db2.gz OKBGVALRAWAEGP-IEBWSBKVSA-N 1 3 343.471 1.898 20 0 EDADHO CN(C)CC[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)C(C)(C)C ZINC000877037076 597418956 /nfs/dbraw/zinc/41/89/56/597418956.db2.gz JNYOVDNLMJBFEU-OAHLLOKOSA-N 1 3 327.494 1.790 20 0 EDADHO C[NH+]1CCC2(CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000877684026 597547490 /nfs/dbraw/zinc/54/74/90/597547490.db2.gz NRFUKGNVRGCUKP-UHFFFAOYSA-N 1 3 337.489 1.642 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000877728725 597551650 /nfs/dbraw/zinc/55/16/50/597551650.db2.gz SPGGJGWRFXJCHY-MRXNPFEDSA-N 1 3 326.481 1.397 20 0 EDADHO CN1CC[NH+](C2CCN(CCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000877746838 597552937 /nfs/dbraw/zinc/55/29/37/597552937.db2.gz YYEIPTVCWDWAAL-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882979863 597605479 /nfs/dbraw/zinc/60/54/79/597605479.db2.gz PNRNEUNCLKIXSJ-CQSZACIVSA-N 1 3 333.432 1.749 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580217 597641583 /nfs/dbraw/zinc/64/15/83/597641583.db2.gz FTLKZWMUSVFMHA-GBESFXJTSA-N 1 3 344.503 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)c1ccccc1 ZINC000879580217 597641584 /nfs/dbraw/zinc/64/15/84/597641584.db2.gz FTLKZWMUSVFMHA-GBESFXJTSA-N 1 3 344.503 1.432 20 0 EDADHO COc1ccc(COCCN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000879592525 597649128 /nfs/dbraw/zinc/64/91/28/597649128.db2.gz JUGCSWSSGLLHJI-UHFFFAOYSA-N 1 3 347.503 1.924 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825676 597725050 /nfs/dbraw/zinc/72/50/50/597725050.db2.gz KQFQIMWAANVEHU-MCIONIFRSA-N 1 3 329.485 1.580 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825676 597725052 /nfs/dbraw/zinc/72/50/52/597725052.db2.gz KQFQIMWAANVEHU-MCIONIFRSA-N 1 3 329.485 1.580 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000880327798 597902141 /nfs/dbraw/zinc/90/21/41/597902141.db2.gz NHKJMZYYNWFJRA-YTQUADARSA-N 1 3 349.519 1.820 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000880327798 597902144 /nfs/dbraw/zinc/90/21/44/597902144.db2.gz NHKJMZYYNWFJRA-YTQUADARSA-N 1 3 349.519 1.820 20 0 EDADHO COCC[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000884223896 598034977 /nfs/dbraw/zinc/03/49/77/598034977.db2.gz BAJZZCFMZZZRHM-GOSISDBHSA-N 1 3 348.491 1.767 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000914219909 695284559 /nfs/dbraw/zinc/28/45/59/695284559.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000914219909 695284561 /nfs/dbraw/zinc/28/45/61/695284561.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 1 3 336.480 1.166 20 0 EDADHO O=C(CN1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992907865 695444747 /nfs/dbraw/zinc/44/47/47/695444747.db2.gz OUAUEIHGRNTACO-ARFHVFGLSA-N 1 3 348.516 1.956 20 0 EDADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)NCC1CC[NH+](C2CC2)CC1 ZINC000915042380 695720605 /nfs/dbraw/zinc/72/06/05/695720605.db2.gz XRDDQXXIWXVQDJ-KRWDZBQOSA-N 1 3 341.521 1.266 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915642956 695961951 /nfs/dbraw/zinc/96/19/51/695961951.db2.gz JMYIUZRVLSYQJS-BBWFWOEESA-N 1 3 341.521 1.361 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCCN1CCCF ZINC000993371573 696019762 /nfs/dbraw/zinc/01/97/62/696019762.db2.gz ZYHLLOWRNUUBOT-CABCVRRESA-N 1 3 339.459 1.387 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993728246 696354753 /nfs/dbraw/zinc/35/47/53/696354753.db2.gz HOLOWGFQECRNGC-WBVHZDCISA-N 1 3 333.480 1.194 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1CCCO ZINC000994203087 696578232 /nfs/dbraw/zinc/57/82/32/696578232.db2.gz JPKUPLLZBBZVEV-CRAIPNDOSA-N 1 3 337.508 1.460 20 0 EDADHO C[NH+]1CCC(NC(=S)N2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000920309649 697419619 /nfs/dbraw/zinc/41/96/19/697419619.db2.gz JKJXRXMCALPFFC-MRXNPFEDSA-N 1 3 340.537 1.142 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115611 700230802 /nfs/dbraw/zinc/23/08/02/700230802.db2.gz OUDZHRYTHKQZKW-MRXNPFEDSA-N 1 3 346.475 1.796 20 0 EDADHO C[NH+](C)CCOc1cccc(NC(=O)c2n[nH]c3c2CNCC3)c1 ZINC000446264938 699035530 /nfs/dbraw/zinc/03/55/30/699035530.db2.gz MTLJNCZSNIOLDO-UHFFFAOYSA-N 1 3 329.404 1.248 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533752 701573585 /nfs/dbraw/zinc/57/35/85/701573585.db2.gz HPUJMWWXUQBUPS-IRXDYDNUSA-N 1 3 336.524 1.345 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533752 701573586 /nfs/dbraw/zinc/57/35/86/701573586.db2.gz HPUJMWWXUQBUPS-IRXDYDNUSA-N 1 3 336.524 1.345 20 0 EDADHO COc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939210808 699358714 /nfs/dbraw/zinc/35/87/14/699358714.db2.gz PVAJWFGKBBSYIM-KDOFPFPSSA-N 1 3 342.443 1.640 20 0 EDADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939550143 699699293 /nfs/dbraw/zinc/69/92/93/699699293.db2.gz GTMZJHYRPNJSSG-RISCZKNCSA-N 1 3 346.460 1.249 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1cncs1 ZINC000939808965 699957652 /nfs/dbraw/zinc/95/76/52/699957652.db2.gz HFTMPRZSQICEJR-HOCLYGCPSA-N 1 3 336.505 1.956 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)C1CCC1 ZINC000940154269 700284275 /nfs/dbraw/zinc/28/42/75/700284275.db2.gz SJPZMFMXDSHEDM-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000940247247 700411910 /nfs/dbraw/zinc/41/19/10/700411910.db2.gz BFSYKMMBMHRVPZ-UHFFFAOYSA-N 1 3 347.507 1.765 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)(NCc2cnns2)CC1)[NH+](C)C ZINC000940307284 700489255 /nfs/dbraw/zinc/48/92/55/700489255.db2.gz SFIWBODDGLDZHJ-CQSZACIVSA-N 1 3 339.509 1.595 20 0 EDADHO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940356337 700518185 /nfs/dbraw/zinc/51/81/85/700518185.db2.gz NWOKTEDDLJFCLR-UHFFFAOYSA-N 1 3 327.432 1.827 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472497 700657842 /nfs/dbraw/zinc/65/78/42/700657842.db2.gz YXHRFNVZUFJMIC-KRWDZBQOSA-N 1 3 347.507 1.765 20 0 EDADHO Cn1cncc1CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842907 700939204 /nfs/dbraw/zinc/93/92/04/700939204.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cncc1CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842907 700939205 /nfs/dbraw/zinc/93/92/05/700939205.db2.gz RNVHRLWRCKPVHM-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CCO[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1)C[NH+](C)C ZINC000921677951 706601807 /nfs/dbraw/zinc/60/18/07/706601807.db2.gz HCVGLLLCJDPBAE-FGTMMUONSA-N 1 3 348.491 1.698 20 0 EDADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000941436871 701540104 /nfs/dbraw/zinc/54/01/04/701540104.db2.gz JQVGNPWEHMEZDL-MRXNPFEDSA-N 1 3 336.524 1.345 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134971 702564844 /nfs/dbraw/zinc/56/48/44/702564844.db2.gz MCASCQQWLUVBJI-MRXNPFEDSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519614 702855455 /nfs/dbraw/zinc/85/54/55/702855455.db2.gz PGDDLTNYKKOEMT-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519614 702855457 /nfs/dbraw/zinc/85/54/57/702855457.db2.gz PGDDLTNYKKOEMT-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996678483 702977382 /nfs/dbraw/zinc/97/73/82/702977382.db2.gz NWICCYRYPHINAL-GOSISDBHSA-N 1 3 330.476 1.811 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)N(C)C ZINC000996693813 702991221 /nfs/dbraw/zinc/99/12/21/702991221.db2.gz RORRXYJXFUAJGK-KRWDZBQOSA-N 1 3 335.496 1.129 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1)c1cnccn1 ZINC000996726087 703021201 /nfs/dbraw/zinc/02/12/01/703021201.db2.gz WEUIOMCRBOOJGA-YOEHRIQHSA-N 1 3 331.464 1.603 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996999016 703256062 /nfs/dbraw/zinc/25/60/62/703256062.db2.gz LLKAXEHDYKQQTB-INIZCTEOSA-N 1 3 345.487 1.744 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119409 703376170 /nfs/dbraw/zinc/37/61/70/703376170.db2.gz IHVOQNLWLUSTAZ-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997360653 703591028 /nfs/dbraw/zinc/59/10/28/703591028.db2.gz QFKYCBXPISGYHD-HZPDHXFCSA-N 1 3 347.507 1.856 20 0 EDADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997420320 703670289 /nfs/dbraw/zinc/67/02/89/703670289.db2.gz HEZYTIGLLXRVPL-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997420320 703670290 /nfs/dbraw/zinc/67/02/90/703670290.db2.gz HEZYTIGLLXRVPL-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922547938 703954328 /nfs/dbraw/zinc/95/43/28/703954328.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922547938 703954331 /nfs/dbraw/zinc/95/43/31/703954331.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCCOC2)CC1 ZINC001032710723 706799399 /nfs/dbraw/zinc/79/93/99/706799399.db2.gz NPSGEBIXNDERNS-WDSOQIARSA-N 1 3 349.519 1.819 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004456876 704450424 /nfs/dbraw/zinc/45/04/24/704450424.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004456876 704450426 /nfs/dbraw/zinc/45/04/26/704450426.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 1 3 337.508 1.555 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CC1 ZINC000997830694 704751070 /nfs/dbraw/zinc/75/10/70/704751070.db2.gz MGBYFSRAOFXYET-INIZCTEOSA-N 1 3 336.505 1.812 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)N(C)C ZINC000997857194 704769843 /nfs/dbraw/zinc/76/98/43/704769843.db2.gz XYSCPFXWPYBWIP-CQSZACIVSA-N 1 3 325.482 1.207 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029623 704956957 /nfs/dbraw/zinc/95/69/57/704956957.db2.gz UYWXUWDUCISWCU-QAPCUYQASA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029623 704956959 /nfs/dbraw/zinc/95/69/59/704956959.db2.gz UYWXUWDUCISWCU-QAPCUYQASA-N 1 3 333.476 1.835 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998083138 705311962 /nfs/dbraw/zinc/31/19/62/705311962.db2.gz VNOASFTZZHNEHR-RDJZCZTQSA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998083138 705311963 /nfs/dbraw/zinc/31/19/63/705311963.db2.gz VNOASFTZZHNEHR-RDJZCZTQSA-N 1 3 347.507 1.429 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998216290 705537800 /nfs/dbraw/zinc/53/78/00/705537800.db2.gz GJPQFXIOKBOCDO-KRWDZBQOSA-N 1 3 345.491 1.455 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998216290 705537803 /nfs/dbraw/zinc/53/78/03/705537803.db2.gz GJPQFXIOKBOCDO-KRWDZBQOSA-N 1 3 345.491 1.455 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998216738 705538891 /nfs/dbraw/zinc/53/88/91/705538891.db2.gz KIBRFAMGOYENDG-KRWDZBQOSA-N 1 3 347.507 1.573 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998216738 705538895 /nfs/dbraw/zinc/53/88/95/705538895.db2.gz KIBRFAMGOYENDG-KRWDZBQOSA-N 1 3 347.507 1.573 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269945 705647381 /nfs/dbraw/zinc/64/73/81/705647381.db2.gz RQUIEDNLAZBGIJ-UHFFFAOYSA-N 1 3 333.480 1.153 20 0 EDADHO C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000998271663 705651563 /nfs/dbraw/zinc/65/15/63/705651563.db2.gz ANHZLLSTISLACB-WMZOPIPTSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nsc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998723974 706156076 /nfs/dbraw/zinc/15/60/76/706156076.db2.gz SXUNJMSRCNTVIQ-GOEBONIOSA-N 1 3 336.505 1.935 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999347248 706858604 /nfs/dbraw/zinc/85/86/04/706858604.db2.gz HUDVKIFGLPRRNF-ROUUACIJSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999347248 706858606 /nfs/dbraw/zinc/85/86/06/706858606.db2.gz HUDVKIFGLPRRNF-ROUUACIJSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)s1 ZINC000999373832 706868522 /nfs/dbraw/zinc/86/85/22/706868522.db2.gz RIIGBMKJFHWRKI-ZBFHGGJFSA-N 1 3 336.505 1.872 20 0 EDADHO COc1cccc(CN[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362239 706875726 /nfs/dbraw/zinc/87/57/26/706875726.db2.gz AJABAFSBNZXSBT-AEFFLSMTSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999367004 706880926 /nfs/dbraw/zinc/88/09/26/706880926.db2.gz DFAYJFSUOMOQCI-IAGOWNOFSA-N 1 3 333.480 1.149 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404191 706913076 /nfs/dbraw/zinc/91/30/76/706913076.db2.gz UADPTYYXYBQVSN-UWTIGNOOSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999404191 706913080 /nfs/dbraw/zinc/91/30/80/706913080.db2.gz UADPTYYXYBQVSN-UWTIGNOOSA-N 1 3 334.464 1.712 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)C1)N(C)C ZINC000999492426 707029052 /nfs/dbraw/zinc/02/90/52/707029052.db2.gz BALDBQQMNMIUNC-HZPDHXFCSA-N 1 3 334.464 1.511 20 0 EDADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239090 /nfs/dbraw/zinc/23/90/90/707239090.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 1 3 337.508 1.534 20 0 EDADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239094 /nfs/dbraw/zinc/23/90/94/707239094.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 1 3 337.508 1.534 20 0 EDADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240672 /nfs/dbraw/zinc/24/06/72/707240672.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 1 3 337.508 1.676 20 0 EDADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240675 /nfs/dbraw/zinc/24/06/75/707240675.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 1 3 337.508 1.676 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999690078 707246142 /nfs/dbraw/zinc/24/61/42/707246142.db2.gz VKJIPVWAPFZNKR-QQFBHYJXSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999690078 707246145 /nfs/dbraw/zinc/24/61/45/707246145.db2.gz VKJIPVWAPFZNKR-QQFBHYJXSA-N 1 3 331.464 1.206 20 0 EDADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276714 707341399 /nfs/dbraw/zinc/34/13/99/707341399.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033276714 707341402 /nfs/dbraw/zinc/34/14/02/707341402.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@H](NCc1cnnn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931350 707693828 /nfs/dbraw/zinc/69/38/28/707693828.db2.gz WOVNXZWRXKFCMB-YOEHRIQHSA-N 1 3 348.495 1.016 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001033396873 707736276 /nfs/dbraw/zinc/73/62/76/707736276.db2.gz PTFUJFWEDSCIAW-DLBZAZTESA-N 1 3 337.508 1.676 20 0 EDADHO Cc1oncc1CN[C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982087 707860944 /nfs/dbraw/zinc/86/09/44/707860944.db2.gz OSSZDNIJGPCJLL-YOEHRIQHSA-N 1 3 346.475 1.938 20 0 EDADHO COC(=O)c1ccc(CNCCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000921817690 708087020 /nfs/dbraw/zinc/08/70/20/708087020.db2.gz VMAQPQXYVYAYJC-UHFFFAOYSA-N 1 3 337.439 1.728 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185000 708111917 /nfs/dbraw/zinc/11/19/17/708111917.db2.gz OLHXWQPQACENTH-IAGOWNOFSA-N 1 3 337.508 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185110 708112403 /nfs/dbraw/zinc/11/24/03/708112403.db2.gz PWUIBYIYZHNYQZ-MSOLQXFVSA-N 1 3 337.508 1.963 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831873 708357666 /nfs/dbraw/zinc/35/76/66/708357666.db2.gz AZHPKPYOOZMYFP-WMZOPIPTSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831873 708357670 /nfs/dbraw/zinc/35/76/70/708357670.db2.gz AZHPKPYOOZMYFP-WMZOPIPTSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661469 708474294 /nfs/dbraw/zinc/47/42/94/708474294.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 1 3 331.460 1.163 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661469 708474298 /nfs/dbraw/zinc/47/42/98/708474298.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 1 3 331.460 1.163 20 0 EDADHO CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684341 708496371 /nfs/dbraw/zinc/49/63/71/708496371.db2.gz MXICVSBGJRVAPH-QAPCUYQASA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033684341 708496372 /nfs/dbraw/zinc/49/63/72/708496372.db2.gz MXICVSBGJRVAPH-QAPCUYQASA-N 1 3 333.476 1.929 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034213802 709565775 /nfs/dbraw/zinc/56/57/75/709565775.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001034213802 709565778 /nfs/dbraw/zinc/56/57/78/709565778.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034736203 710922964 /nfs/dbraw/zinc/92/29/64/710922964.db2.gz SNHDTCZIMCNEFT-BRWVUGGUSA-N 1 3 347.507 1.464 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034935962 711364554 /nfs/dbraw/zinc/36/45/54/711364554.db2.gz FHSWSDWOVOEDMF-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034935962 711364555 /nfs/dbraw/zinc/36/45/55/711364555.db2.gz FHSWSDWOVOEDMF-SJORKVTESA-N 1 3 333.480 1.374 20 0 EDADHO Cc1ncsc1CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004146967 711558373 /nfs/dbraw/zinc/55/83/73/711558373.db2.gz CDLOMCMBHMNGLJ-AWEZNQCLSA-N 1 3 336.505 1.526 20 0 EDADHO Cc1ncsc1CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004146967 711558375 /nfs/dbraw/zinc/55/83/75/711558375.db2.gz CDLOMCMBHMNGLJ-AWEZNQCLSA-N 1 3 336.505 1.526 20 0 EDADHO CO[C@@H](CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149180 711562968 /nfs/dbraw/zinc/56/29/68/711562968.db2.gz FRHJXXYTYVRQPP-MJGOQNOKSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@@H](CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149180 711562971 /nfs/dbraw/zinc/56/29/71/711562971.db2.gz FRHJXXYTYVRQPP-MJGOQNOKSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@H](CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149177 711563103 /nfs/dbraw/zinc/56/31/03/711563103.db2.gz FRHJXXYTYVRQPP-IEBWSBKVSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@H](CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149177 711563105 /nfs/dbraw/zinc/56/31/05/711563105.db2.gz FRHJXXYTYVRQPP-IEBWSBKVSA-N 1 3 345.487 1.906 20 0 EDADHO CN(CCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080773 282092456 /nfs/dbraw/zinc/09/24/56/282092456.db2.gz ZKMQRXFRHWPADI-LJQANCHMSA-N 1 3 346.519 1.997 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(=O)n2ccccc2n1 ZINC000344028032 282092480 /nfs/dbraw/zinc/09/24/80/282092480.db2.gz LTXCIAGMSHZNER-UHFFFAOYSA-N 1 3 331.464 1.010 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(=O)n2ccccc2n1 ZINC000344028032 282092481 /nfs/dbraw/zinc/09/24/81/282092481.db2.gz LTXCIAGMSHZNER-UHFFFAOYSA-N 1 3 331.464 1.010 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000333661820 282115831 /nfs/dbraw/zinc/11/58/31/282115831.db2.gz MFUTVYJBAQSXCC-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000333661820 282115832 /nfs/dbraw/zinc/11/58/32/282115832.db2.gz MFUTVYJBAQSXCC-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 EDADHO C[NH+]1CCC(O)(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412144155 303976903 /nfs/dbraw/zinc/97/69/03/303976903.db2.gz KJXWPSPJVKKVLV-UHFFFAOYSA-N 1 3 345.487 1.859 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000560961107 306281298 /nfs/dbraw/zinc/28/12/98/306281298.db2.gz XXMCEBIHRFCKOA-AWEZNQCLSA-N 1 3 346.475 1.978 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150764519 539712605 /nfs/dbraw/zinc/71/26/05/539712605.db2.gz LEGHSICLAQHLSC-MRXNPFEDSA-N 1 3 340.512 1.374 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150764519 539712611 /nfs/dbraw/zinc/71/26/11/539712611.db2.gz LEGHSICLAQHLSC-MRXNPFEDSA-N 1 3 340.512 1.374 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000342989249 539772345 /nfs/dbraw/zinc/77/23/45/539772345.db2.gz OWAOAWCBTZQGEO-HNNXBMFYSA-N 1 3 340.512 1.214 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000343015024 539776092 /nfs/dbraw/zinc/77/60/92/539776092.db2.gz PHGYXVKYTHGLFQ-PMPSAXMXSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353533618 539935231 /nfs/dbraw/zinc/93/52/31/539935231.db2.gz GFQWXYZUZZNJKN-HNNXBMFYSA-N 1 3 349.479 1.652 20 0 EDADHO CCN1CCN(CCCNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563211354 306323794 /nfs/dbraw/zinc/32/37/94/306323794.db2.gz XEURETCYSURFCF-UHFFFAOYSA-N 1 3 332.492 1.206 20 0 EDADHO CC[C@H](C)[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114949613 138310859 /nfs/dbraw/zinc/31/08/59/138310859.db2.gz AMFSVOPBJYMTNW-WMLDXEAASA-N 1 3 340.512 1.251 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000563596023 306340851 /nfs/dbraw/zinc/34/08/51/306340851.db2.gz FDJSUANYSHKGCB-QGZVFWFLSA-N 1 3 334.464 1.597 20 0 EDADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1n[nH]c2c1CNCC2 ZINC000262396514 295977169 /nfs/dbraw/zinc/97/71/69/295977169.db2.gz ZFNSVXQOZHZDEJ-UHFFFAOYSA-N 1 3 332.433 1.231 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847585 304080883 /nfs/dbraw/zinc/08/08/83/304080883.db2.gz VEPLECQSYQAADB-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000367995562 291190863 /nfs/dbraw/zinc/19/08/63/291190863.db2.gz AHUQJMZWEKUYBH-LISAXSMJSA-N 1 3 337.508 1.722 20 0 EDADHO CN1CC[C@](O)(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959644 306371438 /nfs/dbraw/zinc/37/14/38/306371438.db2.gz GORPDHCVFKWKHQ-ICSRJNTNSA-N 1 3 329.488 1.840 20 0 EDADHO COCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1 ZINC000414705918 304130339 /nfs/dbraw/zinc/13/03/39/304130339.db2.gz OAQKWDOINKBQAJ-SJORKVTESA-N 1 3 333.476 1.893 20 0 EDADHO COCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1 ZINC000414705918 304130341 /nfs/dbraw/zinc/13/03/41/304130341.db2.gz OAQKWDOINKBQAJ-SJORKVTESA-N 1 3 333.476 1.893 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1 ZINC000414706595 304130917 /nfs/dbraw/zinc/13/09/17/304130917.db2.gz OTJIUPJWSDQHHI-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000414735310 304134854 /nfs/dbraw/zinc/13/48/54/304134854.db2.gz GTQVNYDREHHXLF-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414748098 304136779 /nfs/dbraw/zinc/13/67/79/304136779.db2.gz UCNZXZBDKKWBIQ-HNAYVOBHSA-N 1 3 333.451 1.986 20 0 EDADHO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414748098 304136780 /nfs/dbraw/zinc/13/67/80/304136780.db2.gz UCNZXZBDKKWBIQ-HNAYVOBHSA-N 1 3 333.451 1.986 20 0 EDADHO CCNC(=O)COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414809463 304143467 /nfs/dbraw/zinc/14/34/67/304143467.db2.gz UFGRPYLDLULKNF-HOTGVXAUSA-N 1 3 349.475 1.817 20 0 EDADHO Cn1cnc2cc(CNC[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc21 ZINC000414988009 304148224 /nfs/dbraw/zinc/14/82/24/304148224.db2.gz PERBERRMGNWHFI-HNNXBMFYSA-N 1 3 341.381 1.499 20 0 EDADHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000566918600 306433058 /nfs/dbraw/zinc/43/30/58/306433058.db2.gz KRCTUZQNMFLUBR-AEFFLSMTSA-N 1 3 335.423 1.571 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000236994676 139037514 /nfs/dbraw/zinc/03/75/14/139037514.db2.gz MFMSFRCZIPJNMS-CVEARBPZSA-N 1 3 330.476 1.651 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)NC[C@@H]3C)cc2)CC1 ZINC000236994676 139037515 /nfs/dbraw/zinc/03/75/15/139037515.db2.gz MFMSFRCZIPJNMS-CVEARBPZSA-N 1 3 330.476 1.651 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000237215261 139044624 /nfs/dbraw/zinc/04/46/24/139044624.db2.gz DFICBPGUFUNGCD-FQEVSTJZSA-N 1 3 344.503 1.440 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1 ZINC000415224493 304176008 /nfs/dbraw/zinc/17/60/08/304176008.db2.gz HGADWMGSCLNTNO-GRDNDAEWSA-N 1 3 344.459 1.730 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248649152 139170173 /nfs/dbraw/zinc/17/01/73/139170173.db2.gz UINYPSWUTZETKQ-YTQUADARSA-N 1 3 342.487 1.638 20 0 EDADHO C[C@H]([NH3+])CCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248881322 139179048 /nfs/dbraw/zinc/17/90/48/139179048.db2.gz SIEYXJBPICCVLM-HRCADAONSA-N 1 3 325.497 1.852 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000261613103 139211019 /nfs/dbraw/zinc/21/10/19/139211019.db2.gz FBCVGSBABUIVDR-FRQCXROJSA-N 1 3 337.508 1.850 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCOCC1 ZINC000261774397 139224877 /nfs/dbraw/zinc/22/48/77/139224877.db2.gz MPTZPTVSBDLZRI-ROUUACIJSA-N 1 3 331.460 1.694 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825993 139229495 /nfs/dbraw/zinc/22/94/95/139229495.db2.gz MUWOYDANEQBZIS-IXDOHACOSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)CCOCC3)cc21 ZINC000261809662 139227876 /nfs/dbraw/zinc/22/78/76/139227876.db2.gz JJPIPRNOBHNFPJ-UHFFFAOYSA-N 1 3 330.432 1.649 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415491057 304224920 /nfs/dbraw/zinc/22/49/20/304224920.db2.gz DCALLBHARPXIBP-INIZCTEOSA-N 1 3 334.464 1.629 20 0 EDADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000262109373 139251558 /nfs/dbraw/zinc/25/15/58/139251558.db2.gz FHEUTJKVSHMXLX-HOTGVXAUSA-N 1 3 333.480 1.198 20 0 EDADHO c1nc(-c2ccncc2)sc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262119101 139252519 /nfs/dbraw/zinc/25/25/19/139252519.db2.gz LTHDUMICSGFEQB-OAHLLOKOSA-N 1 3 329.473 1.685 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831301 251111999 /nfs/dbraw/zinc/11/19/99/251111999.db2.gz AVMCBPNDPASFIY-WMZOPIPTSA-N 1 3 328.460 1.797 20 0 EDADHO CCN1CCN(CCCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417026271 251139223 /nfs/dbraw/zinc/13/92/23/251139223.db2.gz ABXFFAJQDAYLMT-QGZVFWFLSA-N 1 3 341.544 1.419 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417595879 251201675 /nfs/dbraw/zinc/20/16/75/251201675.db2.gz OTNDAXTUZOCMSU-KRWDZBQOSA-N 1 3 346.475 1.712 20 0 EDADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000175821306 207163313 /nfs/dbraw/zinc/16/33/13/207163313.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000175821306 207163317 /nfs/dbraw/zinc/16/33/17/207163317.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000417719051 251240678 /nfs/dbraw/zinc/24/06/78/251240678.db2.gz WERDMSCPIYJCEP-RDJZCZTQSA-N 1 3 334.464 1.269 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000417805168 251277107 /nfs/dbraw/zinc/27/71/07/251277107.db2.gz YGOFBHAMCLXIQB-MRXNPFEDSA-N 1 3 344.463 1.570 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000262498808 139282621 /nfs/dbraw/zinc/28/26/21/139282621.db2.gz FRQSMQWBCJUHFB-UHFFFAOYSA-N 1 3 330.476 1.375 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873604 251309762 /nfs/dbraw/zinc/30/97/62/251309762.db2.gz LZWSMNCOVKIKHI-QAPCUYQASA-N 1 3 330.476 1.682 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000418123553 251335801 /nfs/dbraw/zinc/33/58/01/251335801.db2.gz ZJWJRBOOFUFXNZ-INIZCTEOSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418119190 251333527 /nfs/dbraw/zinc/33/35/27/251333527.db2.gz UMCJLYGBDFZAHP-JKSUJKDBSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123501 251334528 /nfs/dbraw/zinc/33/45/28/251334528.db2.gz ZCSWUGHBULKXAW-BZUAXINKSA-N 1 3 326.485 1.304 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262633338 139291758 /nfs/dbraw/zinc/29/17/58/139291758.db2.gz GIGKMHIFHQIPKS-QFBILLFUSA-N 1 3 344.503 1.568 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000262682216 139295975 /nfs/dbraw/zinc/29/59/75/139295975.db2.gz YLDZOCLHYZSJMC-GUDVDZBRSA-N 1 3 345.487 1.676 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CC[C@H](C)[NH3+])cc2)CC1 ZINC000262819696 139305945 /nfs/dbraw/zinc/30/59/45/139305945.db2.gz PLAASCYJWQDUPM-INIZCTEOSA-N 1 3 332.492 1.568 20 0 EDADHO O=C(NCCC[NH2+]C1CCNCC1)c1ccc(Br)cc1 ZINC000422881179 252010395 /nfs/dbraw/zinc/01/03/95/252010395.db2.gz PSTJZMHQCJCBQP-UHFFFAOYSA-N 1 3 340.265 1.911 20 0 EDADHO O=C(NCCCNC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000422881179 252010396 /nfs/dbraw/zinc/01/03/96/252010396.db2.gz PSTJZMHQCJCBQP-UHFFFAOYSA-N 1 3 340.265 1.911 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356717 252052303 /nfs/dbraw/zinc/05/23/03/252052303.db2.gz HFXXJCRDSGUBGK-WDYCEAGBSA-N 1 3 331.460 1.564 20 0 EDADHO [NH3+]CC1(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000423857177 252093833 /nfs/dbraw/zinc/09/38/33/252093833.db2.gz XRGVYHKOIFBSKZ-QGZVFWFLSA-N 1 3 331.460 1.523 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000423791521 252076175 /nfs/dbraw/zinc/07/61/75/252076175.db2.gz UYQSRYIBKXFSPX-HNNXBMFYSA-N 1 3 334.489 1.509 20 0 EDADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCCN3CCN(CCO)CC3)C[C@H]2C1 ZINC000424308665 252194001 /nfs/dbraw/zinc/19/40/01/252194001.db2.gz GVUZSPVGUOSYLG-MKQMEDFFSA-N 1 3 339.524 1.170 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424337819 252198063 /nfs/dbraw/zinc/19/80/63/252198063.db2.gz SGKYPOUCAZBEHS-HZPDHXFCSA-N 1 3 341.477 1.175 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424479837 252248073 /nfs/dbraw/zinc/24/80/73/252248073.db2.gz OXWJNJVTWCVJBF-FGTMMUONSA-N 1 3 328.460 1.512 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237091537 285031814 /nfs/dbraw/zinc/03/18/14/285031814.db2.gz IXUQVXNOFSJORX-SFHVURJKSA-N 1 3 345.487 1.535 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059523 /nfs/dbraw/zinc/05/95/23/285059523.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059524 /nfs/dbraw/zinc/05/95/24/285059524.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000263224055 139329283 /nfs/dbraw/zinc/32/92/83/139329283.db2.gz MLYRBOFRSDZENJ-GLXFQSAKSA-N 1 3 331.229 1.689 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000351779066 285248691 /nfs/dbraw/zinc/24/86/91/285248691.db2.gz JEOFMRTULKEJCY-PMPSAXMXSA-N 1 3 339.480 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000351779066 285248693 /nfs/dbraw/zinc/24/86/93/285248693.db2.gz JEOFMRTULKEJCY-PMPSAXMXSA-N 1 3 339.480 1.060 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@H](C)C1 ZINC000494485301 255252416 /nfs/dbraw/zinc/25/24/16/255252416.db2.gz LUWDTSXGIPQPQT-CRAIPNDOSA-N 1 3 335.492 1.920 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCSC ZINC000341180805 285277908 /nfs/dbraw/zinc/27/79/08/285277908.db2.gz PUCIMRLFOPNBTG-HNNXBMFYSA-N 1 3 330.542 1.797 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCSC ZINC000341180805 285277910 /nfs/dbraw/zinc/27/79/10/285277910.db2.gz PUCIMRLFOPNBTG-HNNXBMFYSA-N 1 3 330.542 1.797 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC000368276860 285333812 /nfs/dbraw/zinc/33/38/12/285333812.db2.gz NRFLCVMAQAYDCP-GOSISDBHSA-N 1 3 344.503 1.600 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000264306878 139395641 /nfs/dbraw/zinc/39/56/41/139395641.db2.gz YMJJIHPGUHOIAW-CQSZACIVSA-N 1 3 342.509 1.570 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1CN(C)C ZINC000415870209 304283132 /nfs/dbraw/zinc/28/31/32/304283132.db2.gz OMTJGFFNCQGMLK-CVEARBPZSA-N 1 3 344.459 1.063 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000415928078 304285812 /nfs/dbraw/zinc/28/58/12/304285812.db2.gz GVUQWFQBQJLXKB-GOSISDBHSA-N 1 3 347.507 1.800 20 0 EDADHO C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1=CCN(C)CC1 ZINC000333247436 141287453 /nfs/dbraw/zinc/28/74/53/141287453.db2.gz BXKVEFIPUDFPPT-IUODEOHRSA-N 1 3 329.448 1.670 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000333599853 141343134 /nfs/dbraw/zinc/34/31/34/141343134.db2.gz WKGJMZJUAWKYQN-KRWDZBQOSA-N 1 3 338.496 1.272 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000333599853 141343135 /nfs/dbraw/zinc/34/31/35/141343135.db2.gz WKGJMZJUAWKYQN-KRWDZBQOSA-N 1 3 338.496 1.272 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCCNCC1 ZINC000333734417 141369001 /nfs/dbraw/zinc/36/90/01/141369001.db2.gz WRLLPAJRZIIXNS-WBVHZDCISA-N 1 3 334.439 1.524 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1C ZINC000339655415 142109315 /nfs/dbraw/zinc/10/93/15/142109315.db2.gz OUTOICGVVDTFJE-QGZVFWFLSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1C ZINC000339655415 142109316 /nfs/dbraw/zinc/10/93/16/142109316.db2.gz OUTOICGVVDTFJE-QGZVFWFLSA-N 1 3 335.496 1.146 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000345010410 143038885 /nfs/dbraw/zinc/03/88/85/143038885.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 1 3 325.497 1.553 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000345010410 143038886 /nfs/dbraw/zinc/03/88/86/143038886.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 1 3 325.497 1.553 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000345107873 143051296 /nfs/dbraw/zinc/05/12/96/143051296.db2.gz DOHCNIUBEZOQFO-KRWDZBQOSA-N 1 3 348.491 1.738 20 0 EDADHO COc1ccsc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645537 143225700 /nfs/dbraw/zinc/22/57/00/143225700.db2.gz DTURTFVXGUXEMQ-UONOGXRCSA-N 1 3 337.489 1.837 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000347454554 143323437 /nfs/dbraw/zinc/32/34/37/143323437.db2.gz LVNDAUBGNZWYSA-OALUTQOASA-N 1 3 346.519 1.999 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000347957281 143383536 /nfs/dbraw/zinc/38/35/36/143383536.db2.gz CTIOBEGTXIEWGH-JKSUJKDBSA-N 1 3 340.512 1.210 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000347964059 143384481 /nfs/dbraw/zinc/38/44/81/143384481.db2.gz FKSVMZFUISLVIT-JKSUJKDBSA-N 1 3 340.512 1.166 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000347978998 143386858 /nfs/dbraw/zinc/38/68/58/143386858.db2.gz QOXAYGNZNZXCEX-HZPDHXFCSA-N 1 3 340.512 1.163 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C1 ZINC000348032862 143394088 /nfs/dbraw/zinc/39/40/88/143394088.db2.gz PHIDPNMKDONNGL-DLBZAZTESA-N 1 3 338.496 1.221 20 0 EDADHO COCCCn1nccc1CNCC1(SC)CC[NH+](C)CC1 ZINC000353217008 149328840 /nfs/dbraw/zinc/32/88/40/149328840.db2.gz YBNUWOQJGWOQBF-UHFFFAOYSA-N 1 3 326.510 1.837 20 0 EDADHO O=C(NC1CCN(CCc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416973320 304358155 /nfs/dbraw/zinc/35/81/55/304358155.db2.gz JRWVNJGCFHOVFE-MJGOQNOKSA-N 1 3 342.487 1.697 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000416973802 304358780 /nfs/dbraw/zinc/35/87/80/304358780.db2.gz VSMSIAFLTUOZDX-MRXNPFEDSA-N 1 3 334.464 1.650 20 0 EDADHO COc1ccc2nc(CN(C)CCN(C)C3CC[NH+](C)CC3)[nH]c2n1 ZINC000355018548 150077981 /nfs/dbraw/zinc/07/79/81/150077981.db2.gz XTVWYBKJXOFLHV-UHFFFAOYSA-N 1 3 346.479 1.424 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417036994 304364128 /nfs/dbraw/zinc/36/41/28/304364128.db2.gz SZFIGRBMCACSSP-HXUWFJFHSA-N 1 3 342.487 1.830 20 0 EDADHO CC1(C)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCN1 ZINC000357350975 151003989 /nfs/dbraw/zinc/00/39/89/151003989.db2.gz SBWBQNXNHVWARK-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[NH2+]1 ZINC000357359548 151007449 /nfs/dbraw/zinc/00/74/49/151007449.db2.gz CANCJZWEFUYKCK-AWEZNQCLSA-N 1 3 329.366 1.958 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000357913460 151193044 /nfs/dbraw/zinc/19/30/44/151193044.db2.gz NRRDVANLHKWVET-KBPBESRZSA-N 1 3 333.567 1.565 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000358085476 151265372 /nfs/dbraw/zinc/26/53/72/151265372.db2.gz MXEXRJFWFVAQJM-WWGRRREGSA-N 1 3 325.478 1.876 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360572593 152103600 /nfs/dbraw/zinc/10/36/00/152103600.db2.gz XOZLTMWVXDQLBP-IBGZPJMESA-N 1 3 327.428 1.748 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360742804 152180949 /nfs/dbraw/zinc/18/09/49/152180949.db2.gz AUSNUIATXKAVIJ-GOEBONIOSA-N 1 3 328.526 1.549 20 0 EDADHO CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CCN(C2CC2)C1 ZINC000360748690 152184227 /nfs/dbraw/zinc/18/42/27/152184227.db2.gz XBJQJAFMEFPMBA-ZBFHGGJFSA-N 1 3 326.510 1.302 20 0 EDADHO CN(C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000417146500 304377867 /nfs/dbraw/zinc/37/78/67/304377867.db2.gz YKBICWBPHBZQNG-UHFFFAOYSA-N 1 3 345.491 1.202 20 0 EDADHO COCCN1CCC(Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361077141 152296318 /nfs/dbraw/zinc/29/63/18/152296318.db2.gz FVYORTIONXWNLP-IBGZPJMESA-N 1 3 333.476 1.776 20 0 EDADHO COCCN1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361077141 152296319 /nfs/dbraw/zinc/29/63/19/152296319.db2.gz FVYORTIONXWNLP-IBGZPJMESA-N 1 3 333.476 1.776 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCCC[C@@H]1C ZINC000361290209 152355370 /nfs/dbraw/zinc/35/53/70/152355370.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCCC[C@@H]1C ZINC000361290209 152355373 /nfs/dbraw/zinc/35/53/73/152355373.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000363686683 153029572 /nfs/dbraw/zinc/02/95/72/153029572.db2.gz MCHFVWAUCIEXOC-KRWDZBQOSA-N 1 3 346.475 1.126 20 0 EDADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000363731181 153041170 /nfs/dbraw/zinc/04/11/70/153041170.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 1 3 340.512 1.203 20 0 EDADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000363731181 153041173 /nfs/dbraw/zinc/04/11/73/153041173.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 1 3 340.512 1.203 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000417227579 304385932 /nfs/dbraw/zinc/38/59/32/304385932.db2.gz CMCSDPCFUKNPDF-HDICACEKSA-N 1 3 330.476 1.759 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367149902 154023014 /nfs/dbraw/zinc/02/30/14/154023014.db2.gz ZXZSLVCADNMPJL-LJQANCHMSA-N 1 3 344.503 1.535 20 0 EDADHO COC(=O)CNC(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367483006 154143921 /nfs/dbraw/zinc/14/39/21/154143921.db2.gz JCLASRKGRGKBKC-VQIMIIECSA-N 1 3 347.459 1.338 20 0 EDADHO COC(=O)CNC(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367483006 154143926 /nfs/dbraw/zinc/14/39/26/154143926.db2.gz JCLASRKGRGKBKC-VQIMIIECSA-N 1 3 347.459 1.338 20 0 EDADHO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cccc4nccn43)C2)CC1 ZINC000367746218 154254074 /nfs/dbraw/zinc/25/40/74/154254074.db2.gz FKWGAWQTENPWNC-QGZVFWFLSA-N 1 3 327.476 1.935 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000369582825 155096472 /nfs/dbraw/zinc/09/64/72/155096472.db2.gz QIGAEWDXEFIIPC-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369582825 155096476 /nfs/dbraw/zinc/09/64/76/155096476.db2.gz QIGAEWDXEFIIPC-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247335430 292335984 /nfs/dbraw/zinc/33/59/84/292335984.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247335430 292335987 /nfs/dbraw/zinc/33/59/87/292335987.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000417503969 304401275 /nfs/dbraw/zinc/40/12/75/304401275.db2.gz DTEQEAOQNGVBCJ-UHFFFAOYSA-N 1 3 348.491 1.611 20 0 EDADHO COCCCN1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756464 292352135 /nfs/dbraw/zinc/35/21/35/292352135.db2.gz GEDOQSRDSTYKIE-KRWDZBQOSA-N 1 3 325.497 1.822 20 0 EDADHO COCCCNC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299173 157230450 /nfs/dbraw/zinc/23/04/50/157230450.db2.gz YBMZYPXBAOXDKB-CVEARBPZSA-N 1 3 337.508 1.724 20 0 EDADHO COCCCNC(=O)[C@@H](C)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299173 157230454 /nfs/dbraw/zinc/23/04/54/157230454.db2.gz YBMZYPXBAOXDKB-CVEARBPZSA-N 1 3 337.508 1.724 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186940 158103437 /nfs/dbraw/zinc/10/34/37/158103437.db2.gz GIBRKWRPYGMDNN-HKUYNNGSSA-N 1 3 333.476 1.942 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)C1 ZINC000378200727 158106661 /nfs/dbraw/zinc/10/66/61/158106661.db2.gz MGJZYAJBWLAPKT-MSOLQXFVSA-N 1 3 330.476 1.315 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)C1 ZINC000378200727 158106664 /nfs/dbraw/zinc/10/66/64/158106664.db2.gz MGJZYAJBWLAPKT-MSOLQXFVSA-N 1 3 330.476 1.315 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000378422083 158168925 /nfs/dbraw/zinc/16/89/25/158168925.db2.gz AQZUXZLZDXEOFI-GOEBONIOSA-N 1 3 335.496 1.528 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCC2(C)CC[NH2+]CC2)ccn1 ZINC000417952237 304437534 /nfs/dbraw/zinc/43/75/34/304437534.db2.gz ODYRMYIMAYGJJK-UHFFFAOYSA-N 1 3 349.479 1.211 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000361880050 162305417 /nfs/dbraw/zinc/30/54/17/162305417.db2.gz KGGUNDGRKLGIPK-HNNXBMFYSA-N 1 3 331.460 1.921 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000073596307 287261712 /nfs/dbraw/zinc/26/17/12/287261712.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000073596307 287261714 /nfs/dbraw/zinc/26/17/14/287261714.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000130637895 287496427 /nfs/dbraw/zinc/49/64/27/287496427.db2.gz BVSGXOIKDKQTEU-MRXNPFEDSA-N 1 3 331.460 1.829 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCCN1 ZINC000638068133 452371305 /nfs/dbraw/zinc/37/13/05/452371305.db2.gz VKCLNEYEZLXTTH-AEFFLSMTSA-N 1 3 325.497 1.916 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CCCCN1 ZINC000638068133 452371321 /nfs/dbraw/zinc/37/13/21/452371321.db2.gz VKCLNEYEZLXTTH-AEFFLSMTSA-N 1 3 325.497 1.916 20 0 EDADHO CN1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024649 /nfs/dbraw/zinc/02/46/49/273024649.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 1 3 346.475 1.100 20 0 EDADHO CN1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024650 /nfs/dbraw/zinc/02/46/50/273024650.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 1 3 346.475 1.100 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)Cc2ccccc2C1 ZINC000275364332 268330749 /nfs/dbraw/zinc/33/07/49/268330749.db2.gz XVANTJOJZTVEIG-INIZCTEOSA-N 1 3 344.503 1.679 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000279330184 273293451 /nfs/dbraw/zinc/29/34/51/273293451.db2.gz TVDOMOOESARZTF-BPQIPLTHSA-N 1 3 333.476 1.546 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ncccc1F ZINC000279590751 273308885 /nfs/dbraw/zinc/30/88/85/273308885.db2.gz RJDDIUUMKIZRCC-HNNXBMFYSA-N 1 3 336.455 1.638 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ncccc1F ZINC000279590751 273308886 /nfs/dbraw/zinc/30/88/86/273308886.db2.gz RJDDIUUMKIZRCC-HNNXBMFYSA-N 1 3 336.455 1.638 20 0 EDADHO CN(CCCCCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279771459 273325925 /nfs/dbraw/zinc/32/59/25/273325925.db2.gz SVGSMVUUXTUPHD-UHFFFAOYSA-N 1 3 347.503 1.993 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418194233 274036406 /nfs/dbraw/zinc/03/64/06/274036406.db2.gz OTTUSVZAYXQHKO-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370149212 274350130 /nfs/dbraw/zinc/35/01/30/274350130.db2.gz NNYSMXQJMPOODK-AYOQOUSVSA-N 1 3 335.467 1.817 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370149212 274350131 /nfs/dbraw/zinc/35/01/31/274350131.db2.gz NNYSMXQJMPOODK-AYOQOUSVSA-N 1 3 335.467 1.817 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417089474 277301028 /nfs/dbraw/zinc/30/10/28/277301028.db2.gz PITJVSCBUHBYIZ-KRWDZBQOSA-N 1 3 330.476 1.860 20 0 EDADHO CC(C)(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000417835384 278266063 /nfs/dbraw/zinc/26/60/63/278266063.db2.gz VYWDTXCDSLUPMI-IAGOWNOFSA-N 1 3 330.476 1.219 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccnc1C ZINC000286504329 288021865 /nfs/dbraw/zinc/02/18/65/288021865.db2.gz RLUMBLXCEPGLAV-GOSISDBHSA-N 1 3 332.492 1.807 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccnc1C ZINC000286504329 288021867 /nfs/dbraw/zinc/02/18/67/288021867.db2.gz RLUMBLXCEPGLAV-GOSISDBHSA-N 1 3 332.492 1.807 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373266744 279332583 /nfs/dbraw/zinc/33/25/83/279332583.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000373266744 279332585 /nfs/dbraw/zinc/33/25/85/279332585.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977836 279358863 /nfs/dbraw/zinc/35/88/63/279358863.db2.gz YWKULIUHJOWHFE-INIZCTEOSA-N 1 3 347.507 1.801 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262738535 279668003 /nfs/dbraw/zinc/66/80/03/279668003.db2.gz CJYATBIJQRGQHH-AEFFLSMTSA-N 1 3 325.497 1.900 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)CCC(=O)OC)c1 ZINC000289699728 288762753 /nfs/dbraw/zinc/76/27/53/288762753.db2.gz FFKONISHOOEHCE-MRXNPFEDSA-N 1 3 335.448 1.425 20 0 EDADHO CN(C)C[C@H]1CC[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174567 289213833 /nfs/dbraw/zinc/21/38/33/289213833.db2.gz XHXGZYNRFBJAHG-PBHICJAKSA-N 1 3 329.485 1.488 20 0 EDADHO CN(C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174567 289213835 /nfs/dbraw/zinc/21/38/35/289213835.db2.gz XHXGZYNRFBJAHG-PBHICJAKSA-N 1 3 329.485 1.488 20 0 EDADHO Cc1nc2sccn2c(=O)c1CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292037604 289245747 /nfs/dbraw/zinc/24/57/47/289245747.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 1 3 332.473 1.635 20 0 EDADHO Cc1nc2sccn2c(=O)c1CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000292037604 289245748 /nfs/dbraw/zinc/24/57/48/289245748.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 1 3 332.473 1.635 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000292127554 289267467 /nfs/dbraw/zinc/26/74/67/289267467.db2.gz RESGFGFWNMLLHK-SFHVURJKSA-N 1 3 345.487 1.792 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3CNCCC3(F)F)C2)CC1 ZINC000418772902 289895158 /nfs/dbraw/zinc/89/51/58/289895158.db2.gz UZOQTJGLAUERJZ-UONOGXRCSA-N 1 3 330.423 1.357 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785305 290243515 /nfs/dbraw/zinc/24/35/15/290243515.db2.gz RMHFMPNVWQLDKG-MOPGFXCFSA-N 1 3 327.472 1.931 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770624 295202304 /nfs/dbraw/zinc/20/23/04/295202304.db2.gz DQMIXTXJAUIBDX-RCCFBDPRSA-N 1 3 325.456 1.425 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770624 295202307 /nfs/dbraw/zinc/20/23/07/295202307.db2.gz DQMIXTXJAUIBDX-RCCFBDPRSA-N 1 3 325.456 1.425 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418634667 304522448 /nfs/dbraw/zinc/52/24/48/304522448.db2.gz JMAWVEOQMHEECD-QGZVFWFLSA-N 1 3 330.476 1.999 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418658365 304526729 /nfs/dbraw/zinc/52/67/29/304526729.db2.gz VQCIACLDKBEXSW-QGZVFWFLSA-N 1 3 327.432 1.477 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H]1C ZINC000417738738 297547140 /nfs/dbraw/zinc/54/71/40/297547140.db2.gz PLOZDUIVZSFPAX-GJZGRUSLSA-N 1 3 330.476 1.477 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419126011 304567569 /nfs/dbraw/zinc/56/75/69/304567569.db2.gz VDWMSWIECHUSDV-WBVHZDCISA-N 1 3 346.475 1.183 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419706177 304667758 /nfs/dbraw/zinc/66/77/58/304667758.db2.gz CBPNGMZMGCQWEJ-HUUCEWRRSA-N 1 3 326.485 1.001 20 0 EDADHO COC(=O)c1ccccc1OCCN1CCC(OCCC[NH3+])CC1 ZINC000420291552 304743629 /nfs/dbraw/zinc/74/36/29/304743629.db2.gz NXOJRDDTUJTZNS-UHFFFAOYSA-N 1 3 336.432 1.682 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293832240 303025995 /nfs/dbraw/zinc/02/59/95/303025995.db2.gz PUMOOLQDCRFCHY-IBGZPJMESA-N 1 3 337.483 1.687 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293832240 303025997 /nfs/dbraw/zinc/02/59/97/303025997.db2.gz PUMOOLQDCRFCHY-IBGZPJMESA-N 1 3 337.483 1.687 20 0 EDADHO C[C@H]([NH2+]CCN1CCC(O)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000294737959 303141070 /nfs/dbraw/zinc/14/10/70/303141070.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@H](NCCN1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737959 303141071 /nfs/dbraw/zinc/14/10/71/303141071.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@H](NCCN1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737959 303141072 /nfs/dbraw/zinc/14/10/72/303141072.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 1 3 331.504 1.943 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000296532355 303322670 /nfs/dbraw/zinc/32/26/70/303322670.db2.gz SQZDMZATCVWZTB-INIZCTEOSA-N 1 3 344.503 1.581 20 0 EDADHO C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C)[C@H]1[NH3+] ZINC000297377995 303391796 /nfs/dbraw/zinc/39/17/96/303391796.db2.gz MOXQPYWATHTAHM-ZWOKBUDYSA-N 1 3 344.503 1.783 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422966349 304881648 /nfs/dbraw/zinc/88/16/48/304881648.db2.gz RBPMGMKYMUFFRN-ZBFHGGJFSA-N 1 3 331.526 1.544 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156738 304888710 /nfs/dbraw/zinc/88/87/10/304888710.db2.gz UDWACBMWJLVLKK-WQDJSCAQSA-N 1 3 343.471 1.695 20 0 EDADHO C[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429163421 305024849 /nfs/dbraw/zinc/02/48/49/305024849.db2.gz NDAXHTYIHDGVII-MJGOQNOKSA-N 1 3 344.503 1.785 20 0 EDADHO CN(CCN1CCN(c2ccccc2)CC1)CC[N@@H+]1CCCOCC1 ZINC000429678716 305034721 /nfs/dbraw/zinc/03/47/21/305034721.db2.gz CIRSCERIOQONLM-UHFFFAOYSA-N 1 3 346.519 1.463 20 0 EDADHO CN(CCN1CCN(c2ccccc2)CC1)CC[N@H+]1CCCOCC1 ZINC000429678716 305034722 /nfs/dbraw/zinc/03/47/22/305034722.db2.gz CIRSCERIOQONLM-UHFFFAOYSA-N 1 3 346.519 1.463 20 0 EDADHO Cc1ccccc1CN1CCN(C(=O)C[NH2+][C@](C)(CN)C(C)C)CC1 ZINC000430568920 305056249 /nfs/dbraw/zinc/05/62/49/305056249.db2.gz DGZKIMDKPBMVQT-HXUWFJFHSA-N 1 3 346.519 1.602 20 0 EDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430914288 305067811 /nfs/dbraw/zinc/06/78/11/305067811.db2.gz IYFILYBIWZUNDL-QGZVFWFLSA-N 1 3 346.475 1.348 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000433327327 305106018 /nfs/dbraw/zinc/10/60/18/305106018.db2.gz RSNJYYFETFVNFX-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1 ZINC000436053818 305151492 /nfs/dbraw/zinc/15/14/92/305151492.db2.gz QQDDICWCVXEKOO-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000438840551 305189884 /nfs/dbraw/zinc/18/98/84/305189884.db2.gz ZQLUPPMPOCXNAU-SFHVURJKSA-N 1 3 343.475 1.803 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000439546822 305199866 /nfs/dbraw/zinc/19/98/66/305199866.db2.gz FXSAZELESPNPGL-UHFFFAOYSA-N 1 3 334.464 1.234 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442893324 305230645 /nfs/dbraw/zinc/23/06/45/305230645.db2.gz GEDVYPGJFGZBOA-UHFFFAOYSA-N 1 3 344.569 1.204 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302749 305277474 /nfs/dbraw/zinc/27/74/74/305277474.db2.gz FYNUIGHQLIUSEY-LISAXSMJSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302749 305277475 /nfs/dbraw/zinc/27/74/75/305277475.db2.gz FYNUIGHQLIUSEY-LISAXSMJSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000447302749 305277476 /nfs/dbraw/zinc/27/74/76/305277476.db2.gz FYNUIGHQLIUSEY-LISAXSMJSA-N 1 3 328.497 1.641 20 0 EDADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H](C(C)C)N(C)C ZINC000447433963 305280111 /nfs/dbraw/zinc/28/01/11/305280111.db2.gz DERZEIFDYSPTBE-GDBMZVCRSA-N 1 3 338.521 1.976 20 0 EDADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000449243468 305309535 /nfs/dbraw/zinc/30/95/35/305309535.db2.gz KZSCHZZGKAGNNP-YLJYHZDGSA-N 1 3 331.504 1.738 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCOCC1)c1ccccc1 ZINC000449351946 305312390 /nfs/dbraw/zinc/31/23/90/305312390.db2.gz SGACCHLETSZJSI-SOLBZPMBSA-N 1 3 345.487 1.858 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000452342585 305390135 /nfs/dbraw/zinc/39/01/35/305390135.db2.gz IEDNZJCQCDVDON-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CCNC(=O)COc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414933055 447362645 /nfs/dbraw/zinc/36/26/45/447362645.db2.gz WLAIFGDIXJJPIL-LSDHHAIUSA-N 1 3 335.448 1.570 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784265 306058215 /nfs/dbraw/zinc/05/82/15/306058215.db2.gz AOFPKXSMTLJHKC-SFHVURJKSA-N 1 3 345.491 1.146 20 0 EDADHO COc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000550720941 306153881 /nfs/dbraw/zinc/15/38/81/306153881.db2.gz HQFDAQQYVLZZHX-UHFFFAOYSA-N 1 3 327.856 1.914 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449708229 447388425 /nfs/dbraw/zinc/38/84/25/447388425.db2.gz GAYIICRLPIWZPM-ZDUSSCGKSA-N 1 3 331.416 1.603 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422207838 447403450 /nfs/dbraw/zinc/40/34/50/447403450.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422207838 447403458 /nfs/dbraw/zinc/40/34/58/447403458.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808532 447426687 /nfs/dbraw/zinc/42/66/87/447426687.db2.gz UVQODJIZLJDUCX-HUUCEWRRSA-N 1 3 338.496 1.143 20 0 EDADHO Cc1nn(C)c2sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000103211515 441177184 /nfs/dbraw/zinc/17/71/84/441177184.db2.gz MNVZWQQILCFVIU-UHFFFAOYSA-N 1 3 337.493 1.509 20 0 EDADHO CC(C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)S(C)(=O)=O ZINC000048219540 441273539 /nfs/dbraw/zinc/27/35/39/441273539.db2.gz MTBIGUXVBBRSSH-CQSZACIVSA-N 1 3 330.494 1.534 20 0 EDADHO O=C(CCN1CCC(C[NH+]2CCCCCC2)CC1)N1CCOCC1 ZINC000048565227 441312859 /nfs/dbraw/zinc/31/28/59/441312859.db2.gz QYAQJCGQTIUNNV-UHFFFAOYSA-N 1 3 337.508 1.823 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cscn3)CC2)CC1 ZINC000051310315 441407600 /nfs/dbraw/zinc/40/76/00/441407600.db2.gz MHNCQAQBZCGODS-UHFFFAOYSA-N 1 3 337.493 1.501 20 0 EDADHO Cc1nc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)oc1C ZINC000051235950 441404394 /nfs/dbraw/zinc/40/43/94/441404394.db2.gz DWLBRAFVSAYNMD-UHFFFAOYSA-N 1 3 335.452 1.972 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074616281 441450675 /nfs/dbraw/zinc/45/06/75/441450675.db2.gz HIBJDACCWOPLNU-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369140 441697620 /nfs/dbraw/zinc/69/76/20/441697620.db2.gz YSEGTVRAYAPMKN-DZGCQCFKSA-N 1 3 343.493 1.341 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000077810551 441864676 /nfs/dbraw/zinc/86/46/76/441864676.db2.gz JAIFYCXOGMZPAN-DOTOQJQBSA-N 1 3 336.455 1.816 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093809093 441896738 /nfs/dbraw/zinc/89/67/38/441896738.db2.gz WELRWFGZHLWXEN-KRWDZBQOSA-N 1 3 344.503 1.916 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093809093 441896743 /nfs/dbraw/zinc/89/67/43/441896743.db2.gz WELRWFGZHLWXEN-KRWDZBQOSA-N 1 3 344.503 1.916 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000150999683 441989199 /nfs/dbraw/zinc/98/91/99/441989199.db2.gz YVDCSSGGLJUUBZ-INIZCTEOSA-N 1 3 342.491 1.944 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000120636900 442109908 /nfs/dbraw/zinc/10/99/08/442109908.db2.gz DXWVWKKAYGARMN-YOEHRIQHSA-N 1 3 346.475 1.628 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000120636900 442109909 /nfs/dbraw/zinc/10/99/09/442109909.db2.gz DXWVWKKAYGARMN-YOEHRIQHSA-N 1 3 346.475 1.628 20 0 EDADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798125 442124357 /nfs/dbraw/zinc/12/43/57/442124357.db2.gz UWKCZSHDBTZWQD-XHSDSOJGSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798125 442124364 /nfs/dbraw/zinc/12/43/64/442124364.db2.gz UWKCZSHDBTZWQD-XHSDSOJGSA-N 1 3 325.497 1.674 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000167413732 442221101 /nfs/dbraw/zinc/22/11/01/442221101.db2.gz YTLSUHYDRMQDIU-KRWDZBQOSA-N 1 3 331.460 1.259 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1)[C@@H]1CCCN(C)C1 ZINC000169211057 442225767 /nfs/dbraw/zinc/22/57/67/442225767.db2.gz XDSBKTCDWTWHFB-MRXNPFEDSA-N 1 3 346.475 1.776 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000128510633 442271074 /nfs/dbraw/zinc/27/10/74/442271074.db2.gz LSTSULKUQNGBKC-QZTJIDSGSA-N 1 3 330.476 1.828 20 0 EDADHO COc1cccc(Cl)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000153490737 442285545 /nfs/dbraw/zinc/28/55/45/442285545.db2.gz RPUHEZHIPRSIQI-UHFFFAOYSA-N 1 3 341.883 1.843 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](O)COC)CC1 ZINC000153777833 442301814 /nfs/dbraw/zinc/30/18/14/442301814.db2.gz DVMRERJRARZYLV-GOSISDBHSA-N 1 3 335.492 1.706 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000154304718 442331565 /nfs/dbraw/zinc/33/15/65/442331565.db2.gz DEXQYQKXPLLMBI-OAHLLOKOSA-N 1 3 334.464 1.837 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000154304718 442331566 /nfs/dbraw/zinc/33/15/66/442331566.db2.gz DEXQYQKXPLLMBI-OAHLLOKOSA-N 1 3 334.464 1.837 20 0 EDADHO CC(C)N(C(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1)C(C)C ZINC000177384189 442334731 /nfs/dbraw/zinc/33/47/31/442334731.db2.gz HVBNADSLWNMTMJ-QGZVFWFLSA-N 1 3 340.556 1.978 20 0 EDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385179 /nfs/dbraw/zinc/38/51/79/442385179.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 1 3 331.526 1.464 20 0 EDADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385182 /nfs/dbraw/zinc/38/51/82/442385182.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 1 3 331.526 1.464 20 0 EDADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994817 442400750 /nfs/dbraw/zinc/40/07/50/442400750.db2.gz QUGLLAQZRWDXFT-NVXWUHKLSA-N 1 3 339.505 1.593 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178589097 442446345 /nfs/dbraw/zinc/44/63/45/442446345.db2.gz BOHSSLPRKYJUHM-MRXNPFEDSA-N 1 3 330.476 1.638 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856902 442504573 /nfs/dbraw/zinc/50/45/73/442504573.db2.gz SWSKSFAPFJGEDB-JZXOWHBKSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000179393422 442639476 /nfs/dbraw/zinc/63/94/76/442639476.db2.gz PYUVFCVZIRIYBR-LJQANCHMSA-N 1 3 343.475 1.878 20 0 EDADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000179393422 442639479 /nfs/dbraw/zinc/63/94/79/442639479.db2.gz PYUVFCVZIRIYBR-LJQANCHMSA-N 1 3 343.475 1.878 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000173186077 442619411 /nfs/dbraw/zinc/61/94/11/442619411.db2.gz RMKZIHDJVPZTFG-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000173186077 442619417 /nfs/dbraw/zinc/61/94/17/442619417.db2.gz RMKZIHDJVPZTFG-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO COCCN(CCCN1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000192837812 442691677 /nfs/dbraw/zinc/69/16/77/442691677.db2.gz PCMKSTSHQSNQBR-UHFFFAOYSA-N 1 3 334.508 1.946 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182167502 442741732 /nfs/dbraw/zinc/74/17/32/442741732.db2.gz LMJGNIKASNQTDP-YOEHRIQHSA-N 1 3 333.480 1.165 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246403450 442779662 /nfs/dbraw/zinc/77/96/62/442779662.db2.gz KDJCVYHMPAGJSB-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000246403450 442779666 /nfs/dbraw/zinc/77/96/66/442779666.db2.gz KDJCVYHMPAGJSB-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000185281653 443176176 /nfs/dbraw/zinc/17/61/76/443176176.db2.gz PQLDJJMPRHGDDD-RHSMWYFYSA-N 1 3 336.455 1.877 20 0 EDADHO Cc1c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000263241979 443227637 /nfs/dbraw/zinc/22/76/37/443227637.db2.gz GNVVAJLCMASQKY-KBPBESRZSA-N 1 3 348.495 1.361 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)N2CCNCC2)cc1 ZINC000327601450 318946369 /nfs/dbraw/zinc/94/63/69/318946369.db2.gz UIGAKCCYWSAOFR-UHFFFAOYSA-N 1 3 346.519 1.828 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269230819 443241626 /nfs/dbraw/zinc/24/16/26/443241626.db2.gz HZHCDWHAJXNPAQ-SFHVURJKSA-N 1 3 331.460 1.188 20 0 EDADHO Cc1c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678302 443207158 /nfs/dbraw/zinc/20/71/58/443207158.db2.gz UONYNODBCNMLCW-UONOGXRCSA-N 1 3 348.495 1.361 20 0 EDADHO CC[NH+]1CCC(NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000397449425 319134834 /nfs/dbraw/zinc/13/48/34/319134834.db2.gz QJPLKGVLTFRGMW-HNNXBMFYSA-N 1 3 327.469 1.696 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000411787238 319204081 /nfs/dbraw/zinc/20/40/81/319204081.db2.gz DNNPUPASBJHDKS-HOTGVXAUSA-N 1 3 325.497 1.769 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000266816825 443253825 /nfs/dbraw/zinc/25/38/25/443253825.db2.gz HFHDOFLLKXCXRT-LJQANCHMSA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000266816825 443253832 /nfs/dbraw/zinc/25/38/32/443253832.db2.gz HFHDOFLLKXCXRT-LJQANCHMSA-N 1 3 344.503 1.718 20 0 EDADHO CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415196509 319349149 /nfs/dbraw/zinc/34/91/49/319349149.db2.gz RNTUHCAKWOUDAH-UHFFFAOYSA-N 1 3 344.459 1.467 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1 ZINC000415219231 319352755 /nfs/dbraw/zinc/35/27/55/319352755.db2.gz MXZMTVUXRBBNFL-ZQIUZPCESA-N 1 3 344.459 1.730 20 0 EDADHO Cc1c([C@H](C)NCCN2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423201031 319756285 /nfs/dbraw/zinc/75/62/85/319756285.db2.gz HARKMKKJDKCAKS-AWEZNQCLSA-N 1 3 331.439 1.876 20 0 EDADHO C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000429176497 319923451 /nfs/dbraw/zinc/92/34/51/319923451.db2.gz OIRMFRFKUABHPT-FUHWJXTLSA-N 1 3 330.476 1.394 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272057 320124094 /nfs/dbraw/zinc/12/40/94/320124094.db2.gz WBLVUGMTXBLDQY-WQDJSCAQSA-N 1 3 349.519 1.724 20 0 EDADHO CCN1C[C@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000449516152 320193189 /nfs/dbraw/zinc/19/31/89/320193189.db2.gz FAMUCHVKKICXHU-QGZVFWFLSA-N 1 3 344.503 1.927 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCOCCN(C)C ZINC000471647473 320352951 /nfs/dbraw/zinc/35/29/51/320352951.db2.gz HDIQPNNPVONDQR-BZUAXINKSA-N 1 3 328.501 1.230 20 0 EDADHO Cc1nc2sccn2c(=O)c1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000286291498 443684247 /nfs/dbraw/zinc/68/42/47/443684247.db2.gz GAGZNSWKKNNYFP-AWEZNQCLSA-N 1 3 334.489 1.881 20 0 EDADHO Cc1nc2sccn2c(=O)c1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000286291498 443684249 /nfs/dbraw/zinc/68/42/49/443684249.db2.gz GAGZNSWKKNNYFP-AWEZNQCLSA-N 1 3 334.489 1.881 20 0 EDADHO CN1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000298687898 443838672 /nfs/dbraw/zinc/83/86/72/443838672.db2.gz YBDXUDKFGIVPAD-UHFFFAOYSA-N 1 3 334.464 1.474 20 0 EDADHO C[C@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576658 443923484 /nfs/dbraw/zinc/92/34/84/443923484.db2.gz BCVZQZZZFMHYRV-KRWDZBQOSA-N 1 3 334.508 1.679 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000299347996 444024140 /nfs/dbraw/zinc/02/41/40/444024140.db2.gz HEIPDMSPAMDIBO-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169483 444068098 /nfs/dbraw/zinc/06/80/98/444068098.db2.gz FFURUORGTKFJHI-HNNXBMFYSA-N 1 3 340.537 1.741 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C)[C@@H]3C)CC2)CC1 ZINC000565182547 321174167 /nfs/dbraw/zinc/17/41/67/321174167.db2.gz NHGKHNRBURNPMJ-JKSUJKDBSA-N 1 3 337.508 1.819 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1C2CC3CC(C2)CC1C3 ZINC000568884045 321310010 /nfs/dbraw/zinc/31/00/10/321310010.db2.gz DJTRSFDWKOFFHB-PTKSYQAQSA-N 1 3 331.504 1.859 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000571210145 321376962 /nfs/dbraw/zinc/37/69/62/321376962.db2.gz GGLQOKPMDAKKGF-YHWZYXNKSA-N 1 3 331.391 1.225 20 0 EDADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCN1CCNC1=O ZINC000289882965 444215203 /nfs/dbraw/zinc/21/52/03/444215203.db2.gz MGCOCPPSEKOESX-HOTGVXAUSA-N 1 3 330.476 1.758 20 0 EDADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc(OC)c1O ZINC000289623085 444182411 /nfs/dbraw/zinc/18/24/11/444182411.db2.gz JZVCVSBHRAJINO-UHFFFAOYSA-N 1 3 337.464 1.525 20 0 EDADHO C[C@@H]1C[N@@H+](CC2CCN(C[C@@H](O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000297103837 444274560 /nfs/dbraw/zinc/27/45/60/444274560.db2.gz LIOVQGYTFNNXDO-JTDSTZFVSA-N 1 3 333.476 1.936 20 0 EDADHO C[C@@H]1C[N@H+](CC2CCN(C[C@@H](O)c3cccnc3)CC2)C[C@H](C)O1 ZINC000297103837 444274565 /nfs/dbraw/zinc/27/45/65/444274565.db2.gz LIOVQGYTFNNXDO-JTDSTZFVSA-N 1 3 333.476 1.936 20 0 EDADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290589744 444298670 /nfs/dbraw/zinc/29/86/70/444298670.db2.gz OJPAQPSNOXRSHF-RTBURBONSA-N 1 3 327.472 1.967 20 0 EDADHO CC[NH+]1CCC(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000314791401 444302677 /nfs/dbraw/zinc/30/26/77/444302677.db2.gz KCNHWDAYTGQBQV-ZDUSSCGKSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000578130681 321726684 /nfs/dbraw/zinc/72/66/84/321726684.db2.gz XELZRWGLVVHTFB-HZPDHXFCSA-N 1 3 325.497 1.853 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000331224458 444449695 /nfs/dbraw/zinc/44/96/95/444449695.db2.gz XDQBPMOAPMTDTN-CVEARBPZSA-N 1 3 339.505 1.899 20 0 EDADHO CN(C)C1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000579814709 321973191 /nfs/dbraw/zinc/97/31/91/321973191.db2.gz BHSNNYTXUSGXIH-INIZCTEOSA-N 1 3 344.503 1.775 20 0 EDADHO CN1CC[C@@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000580873132 322105822 /nfs/dbraw/zinc/10/58/22/322105822.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 1 3 329.488 1.838 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186163 322146189 /nfs/dbraw/zinc/14/61/89/322146189.db2.gz GDIDKTPPZHHHDW-WBVHZDCISA-N 1 3 340.439 1.656 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186163 322146190 /nfs/dbraw/zinc/14/61/90/322146190.db2.gz GDIDKTPPZHHHDW-WBVHZDCISA-N 1 3 340.439 1.656 20 0 EDADHO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000581304662 322161368 /nfs/dbraw/zinc/16/13/68/322161368.db2.gz WINVWPIWROPICU-KGLIPLIRSA-N 1 3 343.518 1.490 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000581365031 322168939 /nfs/dbraw/zinc/16/89/39/322168939.db2.gz AGLMEDBVWDJFKL-IRXDYDNUSA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COC2CCOCC2)C1 ZINC000581365031 322168941 /nfs/dbraw/zinc/16/89/41/322168941.db2.gz AGLMEDBVWDJFKL-IRXDYDNUSA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365031 322168944 /nfs/dbraw/zinc/16/89/44/322168944.db2.gz AGLMEDBVWDJFKL-IRXDYDNUSA-N 1 3 328.497 1.501 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000340847406 444541057 /nfs/dbraw/zinc/54/10/57/444541057.db2.gz NLRHMBCLODPSAD-IRXDYDNUSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000340847406 444541060 /nfs/dbraw/zinc/54/10/60/444541060.db2.gz NLRHMBCLODPSAD-IRXDYDNUSA-N 1 3 344.459 1.430 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341098237 444672892 /nfs/dbraw/zinc/67/28/92/444672892.db2.gz YRJCNDQZOJVUFS-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341098237 444672893 /nfs/dbraw/zinc/67/28/93/444672893.db2.gz YRJCNDQZOJVUFS-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940037 444683048 /nfs/dbraw/zinc/68/30/48/444683048.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 1 3 332.444 1.508 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000343932005 444677644 /nfs/dbraw/zinc/67/76/44/444677644.db2.gz QTGDNQYBKVSKPQ-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940037 444683053 /nfs/dbraw/zinc/68/30/53/444683053.db2.gz NBUAGAAKIDRAGW-RTBURBONSA-N 1 3 332.444 1.508 20 0 EDADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1OC ZINC000344022906 444733872 /nfs/dbraw/zinc/73/38/72/444733872.db2.gz PJRIEQYFBWRZFB-HOCLYGCPSA-N 1 3 349.475 1.942 20 0 EDADHO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@H]1CNCCO1 ZINC000333790767 444697531 /nfs/dbraw/zinc/69/75/31/444697531.db2.gz MKDILNHTWLOJJX-MRXNPFEDSA-N 1 3 338.496 1.320 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)N(CCOC)CCN(C)C)CC1 ZINC000341218063 444735467 /nfs/dbraw/zinc/73/54/67/444735467.db2.gz WUXARDQLPWPPEF-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO CC(=O)N[C@H](C)C1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337329613 445035146 /nfs/dbraw/zinc/03/51/46/445035146.db2.gz ZYIHPADHCFPHSZ-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000339067287 445017490 /nfs/dbraw/zinc/01/74/90/445017490.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 1 3 329.488 1.840 20 0 EDADHO O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000339067287 445017493 /nfs/dbraw/zinc/01/74/93/445017493.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 1 3 329.488 1.840 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)CCC[NH+]2CCCC2)CCSC1 ZINC000342108640 445175805 /nfs/dbraw/zinc/17/58/05/445175805.db2.gz UFWZGIRRZZKPPU-MRXNPFEDSA-N 1 3 328.526 1.551 20 0 EDADHO C[C@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000339495320 445146665 /nfs/dbraw/zinc/14/66/65/445146665.db2.gz WZEWVEHTPYXFTL-QWHCGFSZSA-N 1 3 338.496 1.011 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CN4CCN3CCC4)C2)CC1 ZINC000343358567 445209093 /nfs/dbraw/zinc/20/90/93/445209093.db2.gz DHCHANUSTHSOBM-OALUTQOASA-N 1 3 348.535 1.347 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343400942 445216025 /nfs/dbraw/zinc/21/60/25/445216025.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343400942 445216026 /nfs/dbraw/zinc/21/60/26/445216026.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734951 445197662 /nfs/dbraw/zinc/19/76/62/445197662.db2.gz COFWFZVEODAFDP-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734951 445197664 /nfs/dbraw/zinc/19/76/64/445197664.db2.gz COFWFZVEODAFDP-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO Cc1nc2c(n1[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247174 /nfs/dbraw/zinc/24/71/74/445247174.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626326 445247177 /nfs/dbraw/zinc/24/71/77/445247177.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626326 445247180 /nfs/dbraw/zinc/24/71/80/445247180.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626326 445247183 /nfs/dbraw/zinc/24/71/83/445247183.db2.gz FOTNAAGMPZIFBE-SJORKVTESA-N 1 3 332.492 1.772 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)CN1CCCC1=O ZINC000348323718 445257136 /nfs/dbraw/zinc/25/71/36/445257136.db2.gz SKACPXSVKHTLRX-ULQDDVLXSA-N 1 3 325.497 1.460 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000348323718 445257139 /nfs/dbraw/zinc/25/71/39/445257139.db2.gz SKACPXSVKHTLRX-ULQDDVLXSA-N 1 3 325.497 1.460 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000351749782 445307837 /nfs/dbraw/zinc/30/78/37/445307837.db2.gz XXJYSACBKJAGCX-RDJZCZTQSA-N 1 3 330.476 1.638 20 0 EDADHO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000348534265 445317267 /nfs/dbraw/zinc/31/72/67/445317267.db2.gz PIMWFFAFZPLXOL-HZPDHXFCSA-N 1 3 325.522 1.993 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000354517740 445275222 /nfs/dbraw/zinc/27/52/22/445275222.db2.gz YSBWVOXMXGKTDM-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523476 445423748 /nfs/dbraw/zinc/42/37/48/445423748.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 1 3 344.503 1.248 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523476 445423753 /nfs/dbraw/zinc/42/37/53/445423753.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 1 3 344.503 1.248 20 0 EDADHO CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000349027367 445480572 /nfs/dbraw/zinc/48/05/72/445480572.db2.gz MLUHSGIBNMORSS-KRWDZBQOSA-N 1 3 331.460 1.488 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC1 ZINC000362703284 445508694 /nfs/dbraw/zinc/50/86/94/445508694.db2.gz JFOLENUCFPGQFM-WBVHZDCISA-N 1 3 340.512 1.467 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000362682813 445498419 /nfs/dbraw/zinc/49/84/19/445498419.db2.gz GUJACRVOSMLICB-ZBFHGGJFSA-N 1 3 349.475 1.450 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000362682813 445498421 /nfs/dbraw/zinc/49/84/21/445498421.db2.gz GUJACRVOSMLICB-ZBFHGGJFSA-N 1 3 349.475 1.450 20 0 EDADHO C[C@@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357236296 445499239 /nfs/dbraw/zinc/49/92/39/445499239.db2.gz DXKIEBNBTQFEJT-QGZVFWFLSA-N 1 3 344.503 1.561 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759310 445536097 /nfs/dbraw/zinc/53/60/97/445536097.db2.gz ZBNLHMNXQVCXSC-HLLBOEOZSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCSC1 ZINC000362759310 445536100 /nfs/dbraw/zinc/53/61/00/445536100.db2.gz ZBNLHMNXQVCXSC-HLLBOEOZSA-N 1 3 340.537 1.549 20 0 EDADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCn3cc(CO)nn3)CC2)C1 ZINC000353578468 445664594 /nfs/dbraw/zinc/66/45/94/445664594.db2.gz RUJGQXTVGHFVBT-MAUKXSAKSA-N 1 3 335.496 1.793 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCn3cc(CO)nn3)CC2)C1 ZINC000353578468 445664599 /nfs/dbraw/zinc/66/45/99/445664599.db2.gz RUJGQXTVGHFVBT-MAUKXSAKSA-N 1 3 335.496 1.793 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353688279 445708103 /nfs/dbraw/zinc/70/81/03/445708103.db2.gz WDQOZUPGUKIORH-BBRMVZONSA-N 1 3 325.403 1.868 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000353699644 445715045 /nfs/dbraw/zinc/71/50/45/445715045.db2.gz FUVNVULDEXBZAC-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000363083751 445671536 /nfs/dbraw/zinc/67/15/36/445671536.db2.gz AROYNZYEVYWFML-MSOLQXFVSA-N 1 3 346.475 1.411 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323688 445766045 /nfs/dbraw/zinc/76/60/45/445766045.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 1 3 336.524 1.395 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363323688 445766048 /nfs/dbraw/zinc/76/60/48/445766048.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 1 3 336.524 1.395 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363389262 445783908 /nfs/dbraw/zinc/78/39/08/445783908.db2.gz IMSARHJWNQPUNY-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085744 445894290 /nfs/dbraw/zinc/89/42/90/445894290.db2.gz YHQFONPDXXJWNG-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361720087 445897842 /nfs/dbraw/zinc/89/78/42/445897842.db2.gz XFRXVJFHNZQXLS-XJKSGUPXSA-N 1 3 325.478 1.483 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000361720087 445897843 /nfs/dbraw/zinc/89/78/43/445897843.db2.gz XFRXVJFHNZQXLS-XJKSGUPXSA-N 1 3 325.478 1.483 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)C2CCCCC2)CC1 ZINC000583130072 326006808 /nfs/dbraw/zinc/00/68/08/326006808.db2.gz IZYNQQPMWRANEA-KRWDZBQOSA-N 1 3 325.497 1.506 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000583510624 326088029 /nfs/dbraw/zinc/08/80/29/326088029.db2.gz XNUSWVLSYGBHCV-JFIYKMOQSA-N 1 3 337.508 1.724 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000583945666 326172207 /nfs/dbraw/zinc/17/22/07/326172207.db2.gz CHGQDLFTULQSJB-NVXWUHKLSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000373262522 446130245 /nfs/dbraw/zinc/13/02/45/446130245.db2.gz XRSOKASWBZFZBN-GJZGRUSLSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000373262522 446130250 /nfs/dbraw/zinc/13/02/50/446130250.db2.gz XRSOKASWBZFZBN-GJZGRUSLSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390770 446184255 /nfs/dbraw/zinc/18/42/55/446184255.db2.gz KOXNBNTVQYLFKT-SJLPKXTDSA-N 1 3 347.507 1.781 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000365390770 446184262 /nfs/dbraw/zinc/18/42/62/446184262.db2.gz KOXNBNTVQYLFKT-SJLPKXTDSA-N 1 3 347.507 1.781 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366407059 446197122 /nfs/dbraw/zinc/19/71/22/446197122.db2.gz DDKCXCZVUCNGHM-HUUCEWRRSA-N 1 3 329.448 1.304 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366407059 446197126 /nfs/dbraw/zinc/19/71/26/446197126.db2.gz DDKCXCZVUCNGHM-HUUCEWRRSA-N 1 3 329.448 1.304 20 0 EDADHO C[C@H](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCCCC1 ZINC000370326894 446231000 /nfs/dbraw/zinc/23/10/00/446231000.db2.gz QWMFDIKPUSTUGU-IXDOHACOSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365789360 446344226 /nfs/dbraw/zinc/34/42/26/446344226.db2.gz WSWREPBSRZQSHM-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO COCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365789360 446344232 /nfs/dbraw/zinc/34/42/32/446344232.db2.gz WSWREPBSRZQSHM-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000417328980 446345472 /nfs/dbraw/zinc/34/54/72/446345472.db2.gz IZOGMLBHOWUZHM-HNNXBMFYSA-N 1 3 348.491 1.801 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000417946161 446394821 /nfs/dbraw/zinc/39/48/21/446394821.db2.gz GHSCCFAWNYNFSN-GOEBONIOSA-N 1 3 349.479 1.148 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000417953503 446398247 /nfs/dbraw/zinc/39/82/47/446398247.db2.gz PQIQQXVTFPCVNQ-OAHLLOKOSA-N 1 3 349.479 1.211 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000418135213 446442503 /nfs/dbraw/zinc/44/25/03/446442503.db2.gz HRRZBRGOTPKYHK-QZTJIDSGSA-N 1 3 346.475 1.185 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CNCCO1)C1CC1 ZINC000418135213 446442511 /nfs/dbraw/zinc/44/25/11/446442511.db2.gz HRRZBRGOTPKYHK-QZTJIDSGSA-N 1 3 346.475 1.185 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420271715 446443932 /nfs/dbraw/zinc/44/39/32/446443932.db2.gz KLUBYJBBSWYZDW-KBPBESRZSA-N 1 3 347.511 1.762 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000418183183 446449837 /nfs/dbraw/zinc/44/98/37/446449837.db2.gz NUTQGURRJGRKCO-NUJGCVRESA-N 1 3 348.491 1.745 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000418008305 446413648 /nfs/dbraw/zinc/41/36/48/446413648.db2.gz HDKIVTYYDNSOSC-QAPCUYQASA-N 1 3 330.476 1.887 20 0 EDADHO CCC[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000374931419 446465788 /nfs/dbraw/zinc/46/57/88/446465788.db2.gz IKFOOPRIQFOJPP-QGZVFWFLSA-N 1 3 338.540 1.593 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000420306599 446469252 /nfs/dbraw/zinc/46/92/52/446469252.db2.gz QMKWRKXPDCYGKQ-HBMCJLEFSA-N 1 3 340.467 1.899 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000420306599 446469258 /nfs/dbraw/zinc/46/92/58/446469258.db2.gz QMKWRKXPDCYGKQ-HBMCJLEFSA-N 1 3 340.467 1.899 20 0 EDADHO CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420311965 446476469 /nfs/dbraw/zinc/47/64/69/446476469.db2.gz WMOBQHSPFJBSRD-QYZOEREBSA-N 1 3 347.503 1.546 20 0 EDADHO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420311965 446476477 /nfs/dbraw/zinc/47/64/77/446476477.db2.gz WMOBQHSPFJBSRD-QYZOEREBSA-N 1 3 347.503 1.546 20 0 EDADHO CCCCNC(=O)[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420311965 446476484 /nfs/dbraw/zinc/47/64/84/446476484.db2.gz WMOBQHSPFJBSRD-QYZOEREBSA-N 1 3 347.503 1.546 20 0 EDADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313822 446477130 /nfs/dbraw/zinc/47/71/30/446477130.db2.gz JKNOJDXRVSGQEJ-AEFFLSMTSA-N 1 3 330.476 1.779 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000432545417 446483161 /nfs/dbraw/zinc/48/31/61/446483161.db2.gz ILEFWZUAFPSOSA-TWMKSMIVSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000432545417 446483164 /nfs/dbraw/zinc/48/31/64/446483164.db2.gz ILEFWZUAFPSOSA-TWMKSMIVSA-N 1 3 325.497 1.865 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317387 446483312 /nfs/dbraw/zinc/48/33/12/446483312.db2.gz MXVYBNFOWLMFKV-KVSKMBFKSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317387 446483316 /nfs/dbraw/zinc/48/33/16/446483316.db2.gz MXVYBNFOWLMFKV-KVSKMBFKSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317387 446483320 /nfs/dbraw/zinc/48/33/20/446483320.db2.gz MXVYBNFOWLMFKV-KVSKMBFKSA-N 1 3 333.476 1.390 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319907 446485369 /nfs/dbraw/zinc/48/53/69/446485369.db2.gz AXDKDHRJNXZAPP-ROUUACIJSA-N 1 3 345.487 1.771 20 0 EDADHO Cc1cccc(C)c1OCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343149 446516034 /nfs/dbraw/zinc/51/60/34/446516034.db2.gz RFKRLVZLFNAVPY-HDICACEKSA-N 1 3 345.487 1.730 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@H]1CCCCN1CCO ZINC000418485761 446562498 /nfs/dbraw/zinc/56/24/98/446562498.db2.gz DHRVMPPUHMDBEP-QSFKDOLUSA-N 1 3 338.496 1.038 20 0 EDADHO NC[C@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CCCO1 ZINC000420389133 446564788 /nfs/dbraw/zinc/56/47/88/446564788.db2.gz LYKZGWJVUQUWBI-AWEZNQCLSA-N 1 3 325.840 1.396 20 0 EDADHO NC[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CCCO1 ZINC000420389133 446564796 /nfs/dbraw/zinc/56/47/96/446564796.db2.gz LYKZGWJVUQUWBI-AWEZNQCLSA-N 1 3 325.840 1.396 20 0 EDADHO [NH3+]CC1(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000423400174 446517883 /nfs/dbraw/zinc/51/78/83/446517883.db2.gz FMVGKXNJUKUODM-UHFFFAOYSA-N 1 3 344.459 1.580 20 0 EDADHO COC(=O)c1cc2cc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345909 446519210 /nfs/dbraw/zinc/51/92/10/446519210.db2.gz BWLNAYYLFFUKMS-MRXNPFEDSA-N 1 3 343.427 1.699 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423410234 446521197 /nfs/dbraw/zinc/52/11/97/446521197.db2.gz CWKVJKOTSSGMDO-CVEARBPZSA-N 1 3 340.512 1.153 20 0 EDADHO COc1cccc(CNC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347690 446523049 /nfs/dbraw/zinc/52/30/49/446523049.db2.gz ZEPULLOVYDTCPY-BHYGNILZSA-N 1 3 331.460 1.631 20 0 EDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423412902 446523799 /nfs/dbraw/zinc/52/37/99/446523799.db2.gz XNQXKWLJMHRZRK-BPLDGKMQSA-N 1 3 325.250 1.476 20 0 EDADHO [NH3+]CC1(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CC1 ZINC000423426595 446531678 /nfs/dbraw/zinc/53/16/78/446531678.db2.gz PPVVELGONPETMH-UHFFFAOYSA-N 1 3 349.450 1.914 20 0 EDADHO C[C@@H](Cc1cnccn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118839 446545087 /nfs/dbraw/zinc/54/50/87/446545087.db2.gz JAEPNBVEAOTNNL-LPHOPBHVSA-N 1 3 326.444 1.634 20 0 EDADHO C[C@@H](Cc1cnccn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118839 446545092 /nfs/dbraw/zinc/54/50/92/446545092.db2.gz JAEPNBVEAOTNNL-LPHOPBHVSA-N 1 3 326.444 1.634 20 0 EDADHO CN(C)CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574416 446601299 /nfs/dbraw/zinc/60/12/99/446601299.db2.gz VJLFEESETJVSPC-CJNGLKHVSA-N 1 3 340.418 1.613 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367886003 446603795 /nfs/dbraw/zinc/60/37/95/446603795.db2.gz NARRZOYHVPWZAO-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418737786 446662246 /nfs/dbraw/zinc/66/22/46/446662246.db2.gz WCIAULPDGMBTCZ-NVXWUHKLSA-N 1 3 333.480 1.815 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418634303 446625234 /nfs/dbraw/zinc/62/52/34/446625234.db2.gz JEOHMJHVGCEBPX-LHHMISFZSA-N 1 3 328.460 1.561 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN([C@H](C)CO)C2CCCC2)CC1 ZINC000411610046 446626080 /nfs/dbraw/zinc/62/60/80/446626080.db2.gz XPNQUOZIGDXBHO-OAHLLOKOSA-N 1 3 325.497 1.601 20 0 EDADHO CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418637750 446628245 /nfs/dbraw/zinc/62/82/45/446628245.db2.gz OAVPQCJYLDYQGF-GOSISDBHSA-N 1 3 330.476 1.999 20 0 EDADHO CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418637750 446628251 /nfs/dbraw/zinc/62/82/51/446628251.db2.gz OAVPQCJYLDYQGF-GOSISDBHSA-N 1 3 330.476 1.999 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423765769 446695028 /nfs/dbraw/zinc/69/50/28/446695028.db2.gz ZJYQYZCCEHPVDB-CQSZACIVSA-N 1 3 347.459 1.711 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418785505 446701090 /nfs/dbraw/zinc/70/10/90/446701090.db2.gz ICZGRIAMCCNHBJ-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN(C2CCC2)C1 ZINC000418805698 446713220 /nfs/dbraw/zinc/71/32/20/446713220.db2.gz XYPMSBMVGCMHDC-YLFCFFPRSA-N 1 3 334.508 1.890 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418758905 446679046 /nfs/dbraw/zinc/67/90/46/446679046.db2.gz IYCUVFARHKZBPU-QGZVFWFLSA-N 1 3 347.507 1.100 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000423751802 446681694 /nfs/dbraw/zinc/68/16/94/446681694.db2.gz BIWTZUZNXXBOPB-UHFFFAOYSA-N 1 3 325.453 1.039 20 0 EDADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000371303670 446759960 /nfs/dbraw/zinc/75/99/60/446759960.db2.gz PRSFVOMYMLNISU-INIZCTEOSA-N 1 3 336.505 1.028 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424008619 446822256 /nfs/dbraw/zinc/82/22/56/446822256.db2.gz IMFJAVNVODMEJC-RCCFBDPRSA-N 1 3 327.403 1.649 20 0 EDADHO C[NH2+]CCCN(C)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000424015842 446823672 /nfs/dbraw/zinc/82/36/72/446823672.db2.gz AWJCUDFXPUBXDL-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO COCC[C@@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]C1 ZINC000424041430 446830090 /nfs/dbraw/zinc/83/00/90/446830090.db2.gz TXLQMRUDGBYOOS-LESCRADOSA-N 1 3 335.423 1.095 20 0 EDADHO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741150 447015173 /nfs/dbraw/zinc/01/51/73/447015173.db2.gz CNZPTGATTULWON-LVGQOLGVSA-N 1 3 335.492 1.331 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000443058947 446999483 /nfs/dbraw/zinc/99/94/83/446999483.db2.gz OUEQMBMFGHUNQB-CRAIPNDOSA-N 1 3 349.450 1.786 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368704246 447053548 /nfs/dbraw/zinc/05/35/48/447053548.db2.gz OMWKVAKVIOCBBU-MRXNPFEDSA-N 1 3 325.416 1.341 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCCCC[NH2+]3)ccc2oc1=O ZINC000368740581 447078304 /nfs/dbraw/zinc/07/83/04/447078304.db2.gz NXOMDTVLILXUII-AWEZNQCLSA-N 1 3 346.431 1.627 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000444383001 447097987 /nfs/dbraw/zinc/09/79/87/447097987.db2.gz QTSWQCSXBDYNFG-HOTGVXAUSA-N 1 3 325.497 1.555 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000444383001 447097991 /nfs/dbraw/zinc/09/79/91/447097991.db2.gz QTSWQCSXBDYNFG-HOTGVXAUSA-N 1 3 325.497 1.555 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144880 /nfs/dbraw/zinc/14/48/80/447144880.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 1 3 348.491 1.793 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144888 /nfs/dbraw/zinc/14/48/88/447144888.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 1 3 348.491 1.793 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]c(C(=O)OC)c3)CC2)CC1 ZINC000421372635 447144899 /nfs/dbraw/zinc/14/48/99/447144899.db2.gz LEOXBQSXWHIWRP-UHFFFAOYSA-N 1 3 348.491 1.793 20 0 EDADHO COC1(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCOCC1 ZINC000368897633 447187377 /nfs/dbraw/zinc/18/73/77/447187377.db2.gz RZDLJYKSSPOAPN-KRWDZBQOSA-N 1 3 325.497 1.284 20 0 EDADHO COC1(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCOCC1 ZINC000368897633 447187379 /nfs/dbraw/zinc/18/73/79/447187379.db2.gz RZDLJYKSSPOAPN-KRWDZBQOSA-N 1 3 325.497 1.284 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369028374 447274874 /nfs/dbraw/zinc/27/48/74/447274874.db2.gz QATMHYODUKGBQP-IRXDYDNUSA-N 1 3 338.496 1.271 20 0 EDADHO O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379648245 447453758 /nfs/dbraw/zinc/45/37/58/447453758.db2.gz AGRDGOJMVQYWLT-SFHVURJKSA-N 1 3 330.476 1.063 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931409 447488859 /nfs/dbraw/zinc/48/88/59/447488859.db2.gz LEAIMYLHOZEOBK-MAUKXSAKSA-N 1 3 331.460 1.392 20 0 EDADHO COCCOC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390846888 447503390 /nfs/dbraw/zinc/50/33/90/447503390.db2.gz GKNDLNJMYNLTJF-NXEWRWPSSA-N 1 3 348.487 1.796 20 0 EDADHO COCCOC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390846888 447503395 /nfs/dbraw/zinc/50/33/95/447503395.db2.gz GKNDLNJMYNLTJF-NXEWRWPSSA-N 1 3 348.487 1.796 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C)C(C)C ZINC000422366491 447507045 /nfs/dbraw/zinc/50/70/45/447507045.db2.gz PTQHRQPWWPDTDX-INIZCTEOSA-N 1 3 340.512 1.164 20 0 EDADHO CC(C)[C@H]1C[N@H+](C)CCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000495913360 447639406 /nfs/dbraw/zinc/63/94/06/447639406.db2.gz QBSIRCTUSQDCQR-SJLPKXTDSA-N 1 3 336.480 1.133 20 0 EDADHO CC(C)[C@H]1C[N@@H+](C)CCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000495913360 447639409 /nfs/dbraw/zinc/63/94/09/447639409.db2.gz QBSIRCTUSQDCQR-SJLPKXTDSA-N 1 3 336.480 1.133 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000459153674 447598441 /nfs/dbraw/zinc/59/84/41/447598441.db2.gz JIROHQXBYAWRCK-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000459153674 447598443 /nfs/dbraw/zinc/59/84/43/447598443.db2.gz JIROHQXBYAWRCK-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CN(CCCNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874311 447700572 /nfs/dbraw/zinc/70/05/72/447700572.db2.gz PHNPGKKFJUTJSV-CQSZACIVSA-N 1 3 328.407 1.790 20 0 EDADHO CC(C)(CC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000422623635 447675060 /nfs/dbraw/zinc/67/50/60/447675060.db2.gz XCHAQHIUYNNGTI-INIZCTEOSA-N 1 3 334.464 1.180 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923263 447711169 /nfs/dbraw/zinc/71/11/69/447711169.db2.gz NTZZQCDNNSAZKF-RDJZCZTQSA-N 1 3 334.464 1.739 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2N)s1 ZINC000422714142 447725663 /nfs/dbraw/zinc/72/56/63/447725663.db2.gz KRFTXADGVFFLGV-ZIAGYGMSSA-N 1 3 345.534 1.791 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732278 447732234 /nfs/dbraw/zinc/73/22/34/447732234.db2.gz NXVHSOJNYSPAPQ-NVXWUHKLSA-N 1 3 327.432 1.739 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422738571 447733671 /nfs/dbraw/zinc/73/36/71/447733671.db2.gz JVVXEMBHEAHPPU-YOEHRIQHSA-N 1 3 339.505 1.731 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000458174403 447736290 /nfs/dbraw/zinc/73/62/90/447736290.db2.gz SHZVMGOEGAWPNR-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000458174403 447736294 /nfs/dbraw/zinc/73/62/94/447736294.db2.gz SHZVMGOEGAWPNR-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422776676 447748039 /nfs/dbraw/zinc/74/80/39/447748039.db2.gz AYUXKNSJQXDWFR-BZUAXINKSA-N 1 3 348.491 1.751 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cn2ccnn2)CC1 ZINC000459716905 447750938 /nfs/dbraw/zinc/75/09/38/447750938.db2.gz QFZZERQIPNMSSJ-QFBILLFUSA-N 1 3 343.475 1.324 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844353 447767880 /nfs/dbraw/zinc/76/78/80/447767880.db2.gz LNUTUQGFDYJAKX-AEFFLSMTSA-N 1 3 330.476 1.442 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844353 447767882 /nfs/dbraw/zinc/76/78/82/447767882.db2.gz LNUTUQGFDYJAKX-AEFFLSMTSA-N 1 3 330.476 1.442 20 0 EDADHO CC(C)C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C(=O)NCCN(C)C ZINC000423023859 447793011 /nfs/dbraw/zinc/79/30/11/447793011.db2.gz IHGLXEPAOQXVIW-BZSNNMDCSA-N 1 3 332.492 1.813 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855153 /nfs/dbraw/zinc/85/51/53/447855153.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855154 /nfs/dbraw/zinc/85/51/54/447855154.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761530 447890351 /nfs/dbraw/zinc/89/03/51/447890351.db2.gz WWUQMRHXKGHEBQ-GJZGRUSLSA-N 1 3 341.496 1.819 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761530 447890354 /nfs/dbraw/zinc/89/03/54/447890354.db2.gz WWUQMRHXKGHEBQ-GJZGRUSLSA-N 1 3 341.496 1.819 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524371910 447927263 /nfs/dbraw/zinc/92/72/63/447927263.db2.gz WLJIYRLJYIPUKH-IEBWSBKVSA-N 1 3 331.460 1.176 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000531058153 448010585 /nfs/dbraw/zinc/01/05/85/448010585.db2.gz JECXJHPETWRVSG-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000531058153 448010589 /nfs/dbraw/zinc/01/05/89/448010589.db2.gz JECXJHPETWRVSG-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1nc2ccccc2[nH]1 ZINC000531118859 448023278 /nfs/dbraw/zinc/02/32/78/448023278.db2.gz FNCYOENSGVUZPX-UHFFFAOYSA-N 1 3 345.491 1.837 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000531294584 448057058 /nfs/dbraw/zinc/05/70/58/448057058.db2.gz OWZLYRHRHMQGAL-QUCCMNQESA-N 1 3 347.503 1.716 20 0 EDADHO COCCNCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576587597 448092619 /nfs/dbraw/zinc/09/26/19/448092619.db2.gz LZQSVUKFHNDZOT-UHFFFAOYSA-N 1 3 334.464 1.383 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N(C)C1 ZINC000501742044 448096360 /nfs/dbraw/zinc/09/63/60/448096360.db2.gz AAMWXXATCONZFM-VGWMRTNUSA-N 1 3 326.485 1.220 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758335 448133192 /nfs/dbraw/zinc/13/31/92/448133192.db2.gz NBWMZICYAZQQEL-LSDHHAIUSA-N 1 3 331.464 1.680 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)/C=C\C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000492104387 448180939 /nfs/dbraw/zinc/18/09/39/448180939.db2.gz SXKYKWXKOZROCS-YKZUCCNHSA-N 1 3 337.508 1.842 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000582457524 448241765 /nfs/dbraw/zinc/24/17/65/448241765.db2.gz UBABSIFICHSCGE-IAGOWNOFSA-N 1 3 336.455 1.816 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)N(C)C1 ZINC000515402842 448308465 /nfs/dbraw/zinc/30/84/65/448308465.db2.gz HFFDQWUTDXDTOR-KKUMJFAQSA-N 1 3 326.485 1.125 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000577372568 448279765 /nfs/dbraw/zinc/27/97/65/448279765.db2.gz FRZBOBIFFCNASX-MRXNPFEDSA-N 1 3 342.447 1.195 20 0 EDADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@H]1CCC[NH2+]C1 ZINC000577475325 448305806 /nfs/dbraw/zinc/30/58/06/448305806.db2.gz OWISBJDKQNPMJI-HSBZDZAISA-N 1 3 348.413 1.843 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000493014568 448348980 /nfs/dbraw/zinc/34/89/80/448348980.db2.gz IDYIYESABQYKTG-OEPRFQHASA-N 1 3 331.460 1.512 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000577590471 448333936 /nfs/dbraw/zinc/33/39/36/448333936.db2.gz XDQAOYJSEDNLFR-MRXNPFEDSA-N 1 3 331.464 1.702 20 0 EDADHO COc1ccc2c(c1)C[C@@H](NCc1nnc(C3CC[NH2+]CC3)[nH]1)CC2 ZINC000582780483 448336583 /nfs/dbraw/zinc/33/65/83/448336583.db2.gz SBPSLMUTFAANFK-INIZCTEOSA-N 1 3 341.459 1.927 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831572 448395443 /nfs/dbraw/zinc/39/54/43/448395443.db2.gz CMVDDJMOAAPMOP-JFIYKMOQSA-N 1 3 330.476 1.806 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000566199625 448413782 /nfs/dbraw/zinc/41/37/82/448413782.db2.gz VPAFWBVIFITVMK-QAPCUYQASA-N 1 3 330.476 1.879 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000584458717 448533898 /nfs/dbraw/zinc/53/38/98/448533898.db2.gz DSAWSKFKGTZIOB-WMZOPIPTSA-N 1 3 346.475 1.520 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528445646 448531414 /nfs/dbraw/zinc/53/14/14/448531414.db2.gz NWQWOIODRPVRAY-QGZVFWFLSA-N 1 3 339.524 1.002 20 0 EDADHO COCCN1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723892 448645656 /nfs/dbraw/zinc/64/56/56/448645656.db2.gz ZHXAQULVNHZFPP-HNNXBMFYSA-N 1 3 334.420 1.011 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC([NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000573438131 448627044 /nfs/dbraw/zinc/62/70/44/448627044.db2.gz AKHSKVVAEVWMJL-BNEJOAPWSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC(N3CCCCC3)C2)C[C@@H](C)O1 ZINC000573438131 448627046 /nfs/dbraw/zinc/62/70/46/448627046.db2.gz AKHSKVVAEVWMJL-BNEJOAPWSA-N 1 3 325.497 1.063 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000519044501 448735306 /nfs/dbraw/zinc/73/53/06/448735306.db2.gz XSLALVWQMJQKRX-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO CCN(Cc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1)C1CC1 ZINC000519601042 448796753 /nfs/dbraw/zinc/79/67/53/448796753.db2.gz MVDVMXMRWMVIGS-UHFFFAOYSA-N 1 3 331.460 1.597 20 0 EDADHO COC(=O)c1cn([C@@H]2CCCN(CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495614 448863800 /nfs/dbraw/zinc/86/38/00/448863800.db2.gz NFMZTVKZJWGHAO-OAHLLOKOSA-N 1 3 335.452 1.481 20 0 EDADHO CN(CCC[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000521587436 448998665 /nfs/dbraw/zinc/99/86/65/448998665.db2.gz VBAKNJAQTINSGV-SFHVURJKSA-N 1 3 347.507 1.355 20 0 EDADHO CNC(=O)c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241065 449092242 /nfs/dbraw/zinc/09/22/42/449092242.db2.gz PFUNBHULFTWOCQ-SFHVURJKSA-N 1 3 331.460 1.637 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)[C@H]1SC ZINC000590956644 449359206 /nfs/dbraw/zinc/35/92/06/449359206.db2.gz SZGUVPZESRUYGG-QMCVQRASSA-N 1 3 327.538 1.654 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000612026726 449526264 /nfs/dbraw/zinc/52/62/64/449526264.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000612026726 449526270 /nfs/dbraw/zinc/52/62/70/449526270.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN(C)c1ccccc1 ZINC000607228833 449588171 /nfs/dbraw/zinc/58/81/71/449588171.db2.gz VLEAFNXZUNDYHB-UHFFFAOYSA-N 1 3 335.496 1.258 20 0 EDADHO CC(C)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(=O)[nH]1 ZINC000617506161 449653294 /nfs/dbraw/zinc/65/32/94/449653294.db2.gz CKJWRBFFDXHWMV-AWEZNQCLSA-N 1 3 336.480 1.912 20 0 EDADHO CC(C)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(=O)[nH]1 ZINC000617506161 449653299 /nfs/dbraw/zinc/65/32/99/449653299.db2.gz CKJWRBFFDXHWMV-AWEZNQCLSA-N 1 3 336.480 1.912 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[N@@H+]1C ZINC000600997546 449642864 /nfs/dbraw/zinc/64/28/64/449642864.db2.gz GODDMBFOOJNGFN-JKSUJKDBSA-N 1 3 339.480 1.108 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCCCN2CCC(C(=O)OC)CC2)CC[N@H+]1C ZINC000600997546 449642868 /nfs/dbraw/zinc/64/28/68/449642868.db2.gz GODDMBFOOJNGFN-JKSUJKDBSA-N 1 3 339.480 1.108 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744329 /nfs/dbraw/zinc/74/43/29/449744329.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 1 3 345.487 1.744 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744334 /nfs/dbraw/zinc/74/43/34/449744334.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 1 3 345.487 1.744 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000617701136 449746471 /nfs/dbraw/zinc/74/64/71/449746471.db2.gz PVYYWDVUOQIOQW-GOSISDBHSA-N 1 3 333.476 1.601 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(CCO)CC1)CC(C)C ZINC000601230589 449762584 /nfs/dbraw/zinc/76/25/84/449762584.db2.gz ZCCAYJZFVNNWSQ-KRWDZBQOSA-N 1 3 342.528 1.499 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(CCO)CC1)CC(C)C ZINC000601230592 449763186 /nfs/dbraw/zinc/76/31/86/449763186.db2.gz ZCCAYJZFVNNWSQ-QGZVFWFLSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601248581 449773307 /nfs/dbraw/zinc/77/33/07/449773307.db2.gz MIDFNIBLPYHJHO-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601248581 449773312 /nfs/dbraw/zinc/77/33/12/449773312.db2.gz MIDFNIBLPYHJHO-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO CS[C@@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000602800825 449819165 /nfs/dbraw/zinc/81/91/65/449819165.db2.gz VQAJQKNAHDBGEV-GUDVDZBRSA-N 1 3 349.544 1.601 20 0 EDADHO CS[C@@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000602800825 449819170 /nfs/dbraw/zinc/81/91/70/449819170.db2.gz VQAJQKNAHDBGEV-GUDVDZBRSA-N 1 3 349.544 1.601 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612966178 449961964 /nfs/dbraw/zinc/96/19/64/449961964.db2.gz NQMVBVGVSMHHOS-IRXDYDNUSA-N 1 3 330.476 1.601 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985668 449971350 /nfs/dbraw/zinc/97/13/50/449971350.db2.gz MFJSPFZWAIGTJQ-ZBFHGGJFSA-N 1 3 336.480 1.023 20 0 EDADHO COC(=O)CNC(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609536579 450045252 /nfs/dbraw/zinc/04/52/52/450045252.db2.gz YWMPYVXEHUITLJ-UHFFFAOYSA-N 1 3 339.480 1.254 20 0 EDADHO C[NH+](C)CC1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000615510545 450119554 /nfs/dbraw/zinc/11/95/54/450119554.db2.gz MJYJDXMZCJQNPS-UHFFFAOYSA-N 1 3 344.503 1.609 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620482922 450501203 /nfs/dbraw/zinc/50/12/03/450501203.db2.gz VJFGYGSZLOXHQR-GOSISDBHSA-N 1 3 331.460 1.419 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620482922 450501205 /nfs/dbraw/zinc/50/12/05/450501205.db2.gz VJFGYGSZLOXHQR-GOSISDBHSA-N 1 3 331.460 1.419 20 0 EDADHO C[N@@H+]1CC[C@H](NCCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351586 450503180 /nfs/dbraw/zinc/50/31/80/450503180.db2.gz WTBRFHBFEANWPP-AWEZNQCLSA-N 1 3 325.478 1.339 20 0 EDADHO C[N@H+]1CC[C@H](NCCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351586 450503183 /nfs/dbraw/zinc/50/31/83/450503183.db2.gz WTBRFHBFEANWPP-AWEZNQCLSA-N 1 3 325.478 1.339 20 0 EDADHO CN1CC[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000623407837 450517210 /nfs/dbraw/zinc/51/72/10/450517210.db2.gz ZBLSNMXZQAYYOI-AWEZNQCLSA-N 1 3 340.489 1.931 20 0 EDADHO Cc1cc(CNCC2(O)CC[NH+](C)CC2)ncc1Br ZINC000623428540 450520824 /nfs/dbraw/zinc/52/08/24/450520824.db2.gz OELNNBFKICBDHM-UHFFFAOYSA-N 1 3 328.254 1.699 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633028386 450623907 /nfs/dbraw/zinc/62/39/07/450623907.db2.gz ZCZVSYHQTVSJRA-UKRRQHHQSA-N 1 3 332.448 1.048 20 0 EDADHO [NH3+]CCCOCCNCc1cc2c(c(Br)c1)OCO2 ZINC000629398111 450648907 /nfs/dbraw/zinc/64/89/07/450648907.db2.gz MPSJBVJQKIZLFW-UHFFFAOYSA-N 1 3 331.210 1.633 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCCO1 ZINC000623999819 450666461 /nfs/dbraw/zinc/66/64/61/450666461.db2.gz DVEWHUTYJOJMFM-SJORKVTESA-N 1 3 325.497 1.330 20 0 EDADHO CN(C)CCn1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000631606335 450674504 /nfs/dbraw/zinc/67/45/04/450674504.db2.gz IDCBCAKAKKRLNW-UHFFFAOYSA-N 1 3 347.507 1.972 20 0 EDADHO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000631743667 450744847 /nfs/dbraw/zinc/74/48/47/450744847.db2.gz YXFHZDZXEGJZJZ-HZPDHXFCSA-N 1 3 331.526 1.655 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756152 /nfs/dbraw/zinc/75/61/52/450756152.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756154 /nfs/dbraw/zinc/75/61/54/450756154.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756155 /nfs/dbraw/zinc/75/61/55/450756155.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 1 3 343.515 1.943 20 0 EDADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000631839504 450808368 /nfs/dbraw/zinc/80/83/68/450808368.db2.gz HEDHGPGNTVDWSD-HZPDHXFCSA-N 1 3 348.466 1.391 20 0 EDADHO C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1CN ZINC000631839504 450808373 /nfs/dbraw/zinc/80/83/73/450808373.db2.gz HEDHGPGNTVDWSD-HZPDHXFCSA-N 1 3 348.466 1.391 20 0 EDADHO C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1CN ZINC000631839504 450808378 /nfs/dbraw/zinc/80/83/78/450808378.db2.gz HEDHGPGNTVDWSD-HZPDHXFCSA-N 1 3 348.466 1.391 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860052 450830894 /nfs/dbraw/zinc/83/08/94/450830894.db2.gz GYPPBEDPELGUCF-HKUYNNGSSA-N 1 3 344.503 1.451 20 0 EDADHO Cn1c2cc(CN3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2oc1=O ZINC000631828186 450800467 /nfs/dbraw/zinc/80/04/67/450800467.db2.gz IAZKAHWUJSDYFI-CRAIPNDOSA-N 1 3 345.443 1.850 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921101 450879875 /nfs/dbraw/zinc/87/98/75/450879875.db2.gz MZZSZPPGAJIXTK-IYBDPMFKSA-N 1 3 331.526 1.655 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631949163 450907993 /nfs/dbraw/zinc/90/79/93/450907993.db2.gz AVDYKEAEBMTEMM-KRWDZBQOSA-N 1 3 343.537 1.514 20 0 EDADHO CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000633613985 450943378 /nfs/dbraw/zinc/94/33/78/450943378.db2.gz JYJYKILKLBAWSB-AWEZNQCLSA-N 1 3 335.496 1.782 20 0 EDADHO CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C2CC2)n1 ZINC000633613985 450943384 /nfs/dbraw/zinc/94/33/84/450943384.db2.gz JYJYKILKLBAWSB-AWEZNQCLSA-N 1 3 335.496 1.782 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(CN(CC)CC)c1 ZINC000626866583 450969474 /nfs/dbraw/zinc/96/94/74/450969474.db2.gz YHBKIDKRQFUHSS-DLBZAZTESA-N 1 3 346.475 1.724 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000626923356 451007471 /nfs/dbraw/zinc/00/74/71/451007471.db2.gz RDAUSQKCGYWMDA-RLLQIKCJSA-N 1 3 342.487 1.902 20 0 EDADHO [NH3+]C1(CNC(=O)NCCCN2CCc3ccccc3C2)CCOCC1 ZINC000626934543 451016117 /nfs/dbraw/zinc/01/61/17/451016117.db2.gz HVQFRQLHCWAORG-UHFFFAOYSA-N 1 3 346.475 1.242 20 0 EDADHO CC[C@@H](CNC(=O)NCCOCCC[NH3+])N1CCc2ccccc2C1 ZINC000626934753 451017333 /nfs/dbraw/zinc/01/73/33/451017333.db2.gz MZIVESGUHSFIQG-SFHVURJKSA-N 1 3 348.491 1.488 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626945204 451024530 /nfs/dbraw/zinc/02/45/30/451024530.db2.gz RZVCYJIYWUDVLJ-YSIASYRMSA-N 1 3 344.503 1.800 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CN1Cc1ccccc1 ZINC000626998407 451064200 /nfs/dbraw/zinc/06/42/00/451064200.db2.gz MNMKFBGFEXWCMU-WBVHZDCISA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000626999071 451064681 /nfs/dbraw/zinc/06/46/81/451064681.db2.gz WFGMJIILLDHFNS-NVXWUHKLSA-N 1 3 346.475 1.457 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCOCCC[NH3+])N(C)C ZINC000627033346 451091536 /nfs/dbraw/zinc/09/15/36/451091536.db2.gz HKJXIHKYIYERHA-WBVHZDCISA-N 1 3 336.480 1.651 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)o1 ZINC000627133568 451143455 /nfs/dbraw/zinc/14/34/55/451143455.db2.gz FHZWHLARLLORND-MRXNPFEDSA-N 1 3 334.464 1.946 20 0 EDADHO [NH3+]C1(CNC(=O)N2CCN(c3ccncc3)CC2)CCCCCC1 ZINC000634047442 451165637 /nfs/dbraw/zinc/16/56/37/451165637.db2.gz GMJDDDZEXYCQJH-UHFFFAOYSA-N 1 3 331.464 1.965 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214677 451191640 /nfs/dbraw/zinc/19/16/40/451191640.db2.gz WKLGCZRVJJKRSI-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085324 451250485 /nfs/dbraw/zinc/25/04/85/451250485.db2.gz XUCOKAUJJRIILV-KRXQYRFLSA-N 1 3 325.497 1.626 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085324 451250490 /nfs/dbraw/zinc/25/04/90/451250490.db2.gz XUCOKAUJJRIILV-KRXQYRFLSA-N 1 3 325.497 1.626 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)CN3CCNCC3)c2)CC1 ZINC000638086184 451251660 /nfs/dbraw/zinc/25/16/60/451251660.db2.gz PTHNFDBXYVKFSW-UHFFFAOYSA-N 1 3 344.503 1.440 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCOC1 ZINC000638118192 451287281 /nfs/dbraw/zinc/28/72/81/451287281.db2.gz QOROXMICMHJFIF-PKOBYXMFSA-N 1 3 331.460 1.523 20 0 EDADHO CC1(C)CN(C2(CNC(=O)C3=CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000638112474 451280865 /nfs/dbraw/zinc/28/08/65/451280865.db2.gz MCRDSEXAPRVLPD-MRXNPFEDSA-N 1 3 335.492 1.964 20 0 EDADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000638201623 451352570 /nfs/dbraw/zinc/35/25/70/451352570.db2.gz MVUAMEBSLGHKSN-MOPGFXCFSA-N 1 3 344.503 1.090 20 0 EDADHO CC(C)CN1CCO[C@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638277547 451396045 /nfs/dbraw/zinc/39/60/45/451396045.db2.gz BVVXREAOQAKXMF-QGZVFWFLSA-N 1 3 327.513 1.168 20 0 EDADHO CC(C)CN1CCO[C@H](CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638277547 451396048 /nfs/dbraw/zinc/39/60/48/451396048.db2.gz BVVXREAOQAKXMF-QGZVFWFLSA-N 1 3 327.513 1.168 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000638286751 451404465 /nfs/dbraw/zinc/40/44/65/451404465.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 1 3 344.503 1.388 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000638286751 451404471 /nfs/dbraw/zinc/40/44/71/451404471.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 1 3 344.503 1.388 20 0 EDADHO CCC[C@@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000636680874 451410398 /nfs/dbraw/zinc/41/03/98/451410398.db2.gz QBWLFMSPSMFHNT-HNNXBMFYSA-N 1 3 340.512 1.395 20 0 EDADHO O=C(CCC1C[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000638302879 451417525 /nfs/dbraw/zinc/41/75/25/451417525.db2.gz LITMJCGAGKKTOC-GOSISDBHSA-N 1 3 331.460 1.393 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000630821410 451420573 /nfs/dbraw/zinc/42/05/73/451420573.db2.gz DNUBHIAWRXZXSF-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)CN2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000638310255 451424638 /nfs/dbraw/zinc/42/46/38/451424638.db2.gz QCNCZEZCCJADJZ-HKUYNNGSSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)CN2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000638310255 451424641 /nfs/dbraw/zinc/42/46/41/451424641.db2.gz QCNCZEZCCJADJZ-HKUYNNGSSA-N 1 3 344.503 1.309 20 0 EDADHO CC(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1CCOCC1 ZINC000638322363 451431739 /nfs/dbraw/zinc/43/17/39/451431739.db2.gz ZBTVWRAKNBYMBF-QGZVFWFLSA-N 1 3 327.513 1.168 20 0 EDADHO CN(CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346302 451449224 /nfs/dbraw/zinc/44/92/24/451449224.db2.gz HSBNHPQGAGIQAL-CVEARBPZSA-N 1 3 325.497 1.709 20 0 EDADHO CCCN(CCN(C)C)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638377655 451473482 /nfs/dbraw/zinc/47/34/82/451473482.db2.gz QYEVKDWENONMIL-LLVKDONJSA-N 1 3 344.410 1.164 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638384965 451478124 /nfs/dbraw/zinc/47/81/24/451478124.db2.gz GWAGDLJEUYNPOF-LJQANCHMSA-N 1 3 340.471 1.482 20 0 EDADHO C[C@@](O)(C[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000634709551 451488047 /nfs/dbraw/zinc/48/80/47/451488047.db2.gz KUDSFDXVXFNFCB-RBUKOAKNSA-N 1 3 333.476 1.800 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712758 451492238 /nfs/dbraw/zinc/49/22/38/451492238.db2.gz LHCRPRXZFBZKPM-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712758 451492244 /nfs/dbraw/zinc/49/22/44/451492244.db2.gz LHCRPRXZFBZKPM-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000638423577 451507083 /nfs/dbraw/zinc/50/70/83/451507083.db2.gz ZMWMHXZGHUGDBO-INIZCTEOSA-N 1 3 340.439 1.390 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000638526178 451558899 /nfs/dbraw/zinc/55/88/99/451558899.db2.gz GKRRQTAIWIJRCW-APWZRJJASA-N 1 3 344.459 1.306 20 0 EDADHO NC1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000638547403 451571124 /nfs/dbraw/zinc/57/11/24/451571124.db2.gz JIFMFUNZKKUKTG-KBPBESRZSA-N 1 3 341.377 1.468 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638548141 451571473 /nfs/dbraw/zinc/57/14/73/451571473.db2.gz BHYHREZMJNGETJ-QGZVFWFLSA-N 1 3 340.556 1.085 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCN1 ZINC000638560159 451576823 /nfs/dbraw/zinc/57/68/23/451576823.db2.gz CZZRXNOCZAACGO-SCRDCRAPSA-N 1 3 337.386 1.131 20 0 EDADHO C[NH2+]CCOCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000638578876 451587187 /nfs/dbraw/zinc/58/71/87/451587187.db2.gz UJEMOPXKLGITLW-UHFFFAOYSA-N 1 3 348.491 1.183 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717127 451663850 /nfs/dbraw/zinc/66/38/50/451663850.db2.gz FTUZJONYIJVQAU-XJKSGUPXSA-N 1 3 326.448 1.302 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000638643546 451627874 /nfs/dbraw/zinc/62/78/74/451627874.db2.gz LRVAZMJUDWBVLD-ROUUACIJSA-N 1 3 344.503 1.846 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638672412 451642961 /nfs/dbraw/zinc/64/29/61/451642961.db2.gz YGKKTOQXTBKVAW-AWEZNQCLSA-N 1 3 329.322 1.649 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000638673789 451645016 /nfs/dbraw/zinc/64/50/16/451645016.db2.gz NWHPOJYLBBPCNY-KRWDZBQOSA-N 1 3 341.411 1.686 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000632917621 451649851 /nfs/dbraw/zinc/64/98/51/451649851.db2.gz LWMFAAQOSXQHEY-INIZCTEOSA-N 1 3 344.463 1.526 20 0 EDADHO [NH3+][C@@H]1CCCCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000638818657 451700547 /nfs/dbraw/zinc/70/05/47/451700547.db2.gz DNVIBSMFJWMDTG-GOSISDBHSA-N 1 3 344.503 1.929 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)[C@]12CCCO2 ZINC000638854467 451712013 /nfs/dbraw/zinc/71/20/13/451712013.db2.gz VOWSKZCGGVVUFX-RCCFBDPRSA-N 1 3 325.497 1.330 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCCC[NH+]3CCCC3)cn2)CC1 ZINC000636493158 451736019 /nfs/dbraw/zinc/73/60/19/451736019.db2.gz MKTKODHVPZVNGM-UHFFFAOYSA-N 1 3 334.468 1.757 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000638925441 451737539 /nfs/dbraw/zinc/73/75/39/451737539.db2.gz MQYIXDCBCNZCQR-HDICACEKSA-N 1 3 342.487 1.470 20 0 EDADHO N[C@@H](CC1CCCCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985185 451746864 /nfs/dbraw/zinc/74/68/64/451746864.db2.gz BNHQTHJHYQDKKW-INIZCTEOSA-N 1 3 331.464 1.727 20 0 EDADHO CN([C@H](c1nccn1C)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172009 451784456 /nfs/dbraw/zinc/78/44/56/451784456.db2.gz FYRFFMRJYADOFI-ROUUACIJSA-N 1 3 331.508 1.972 20 0 EDADHO CN(C)CCc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230074 451791219 /nfs/dbraw/zinc/79/12/19/451791219.db2.gz OXLVJKNDXFFIED-GOSISDBHSA-N 1 3 329.448 1.019 20 0 EDADHO CN(C)CCc1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230074 451791220 /nfs/dbraw/zinc/79/12/20/451791220.db2.gz OXLVJKNDXFFIED-GOSISDBHSA-N 1 3 329.448 1.019 20 0 EDADHO COc1cc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)sn1 ZINC000639261478 451800194 /nfs/dbraw/zinc/80/01/94/451800194.db2.gz OLCSZTYYDMQKJW-UHFFFAOYSA-N 1 3 340.493 1.038 20 0 EDADHO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000653272021 451807561 /nfs/dbraw/zinc/80/75/61/451807561.db2.gz VOOCMDFKXPTMOL-GOSISDBHSA-N 1 3 330.476 1.800 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770924 451831645 /nfs/dbraw/zinc/83/16/45/451831645.db2.gz FWSRQTSPBORJFC-NJAFHUGGSA-N 1 3 330.476 1.879 20 0 EDADHO CCCc1nc(C)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000644542898 451852267 /nfs/dbraw/zinc/85/22/67/451852267.db2.gz BTNVTNPWJSQWJZ-UHFFFAOYSA-N 1 3 339.484 1.570 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000642440143 451879424 /nfs/dbraw/zinc/87/94/24/451879424.db2.gz XCSJBHOFWIWIOK-YOEHRIQHSA-N 1 3 346.475 1.313 20 0 EDADHO CC1(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)CNC1 ZINC000649282203 451953790 /nfs/dbraw/zinc/95/37/90/451953790.db2.gz NJTUXUWNVOSJMU-UHFFFAOYSA-N 1 3 331.460 1.667 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(N)CCN(C)C2)cc1 ZINC000649284908 451957458 /nfs/dbraw/zinc/95/74/58/451957458.db2.gz LDTSTUHANLMUGU-SFHVURJKSA-N 1 3 334.464 1.379 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)N2CCCC[C@H]2C)cnn1C ZINC000649292849 451969214 /nfs/dbraw/zinc/96/92/14/451969214.db2.gz GOJSHPJHDZLEOI-NONVJHHQSA-N 1 3 347.507 1.411 20 0 EDADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649293763 451969721 /nfs/dbraw/zinc/96/97/21/451969721.db2.gz IJHSEKJTUBBWGJ-ROUUACIJSA-N 1 3 331.460 1.566 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@H](N)C2=O)c1 ZINC000649306279 451983955 /nfs/dbraw/zinc/98/39/55/451983955.db2.gz JUCRMFZWVWDWEQ-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@H](N)C2=O)c1 ZINC000649306279 451983957 /nfs/dbraw/zinc/98/39/57/451983957.db2.gz JUCRMFZWVWDWEQ-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649332273 452012845 /nfs/dbraw/zinc/01/28/45/452012845.db2.gz LTKVEKSDJGKNFU-OIISXLGYSA-N 1 3 342.443 1.201 20 0 EDADHO Cc1cc(NC(=O)[C@]2(N)CCN(C)C2)ccc1OCC[NH+]1CCCC1 ZINC000649336265 452016772 /nfs/dbraw/zinc/01/67/72/452016772.db2.gz ORFJGYHHAYDLTJ-IBGZPJMESA-N 1 3 346.475 1.441 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CCN(C)C1 ZINC000649345412 452026078 /nfs/dbraw/zinc/02/60/78/452026078.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 1 3 344.503 1.390 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CCN(C)C1 ZINC000649345412 452026083 /nfs/dbraw/zinc/02/60/83/452026083.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 1 3 344.503 1.390 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649345708 452026906 /nfs/dbraw/zinc/02/69/06/452026906.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 1 3 346.475 1.379 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649345708 452026910 /nfs/dbraw/zinc/02/69/10/452026910.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 1 3 346.475 1.379 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856031 452030972 /nfs/dbraw/zinc/03/09/72/452030972.db2.gz HEQCFMKZCMWKOD-ROUUACIJSA-N 1 3 344.503 1.986 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856031 452030975 /nfs/dbraw/zinc/03/09/75/452030975.db2.gz HEQCFMKZCMWKOD-ROUUACIJSA-N 1 3 344.503 1.986 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000649414520 452075861 /nfs/dbraw/zinc/07/58/61/452075861.db2.gz FAEVRBNNUOGRFO-OALUTQOASA-N 1 3 346.519 1.449 20 0 EDADHO C[C@@H]1CNCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637816647 452098592 /nfs/dbraw/zinc/09/85/92/452098592.db2.gz JXRRYRIMZZTQFM-MRXNPFEDSA-N 1 3 330.476 1.190 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769396 452112556 /nfs/dbraw/zinc/11/25/56/452112556.db2.gz YHRXITBDHXEVEC-PXNSSMCTSA-N 1 3 345.487 1.537 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000641603532 452122929 /nfs/dbraw/zinc/12/29/29/452122929.db2.gz MLJDEBZEZVSWMX-UHFFFAOYSA-N 1 3 345.447 1.232 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218368 452130601 /nfs/dbraw/zinc/13/06/01/452130601.db2.gz JAQRCGIQPPNXMV-RDTXWAMCSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218368 452130606 /nfs/dbraw/zinc/13/06/06/452130606.db2.gz JAQRCGIQPPNXMV-RDTXWAMCSA-N 1 3 331.460 1.651 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccccn2)c1 ZINC000647492840 452236575 /nfs/dbraw/zinc/23/65/75/452236575.db2.gz CQHWOXBCVZFGJP-UHFFFAOYSA-N 1 3 340.471 1.998 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000659432932 452278456 /nfs/dbraw/zinc/27/84/56/452278456.db2.gz VIGUXPBPJMBGCA-QGZVFWFLSA-N 1 3 336.480 1.800 20 0 EDADHO Cc1ccc(C[N@H+](CC2CC2)C[C@H]2CCCN(C(=O)CN)C2)cn1 ZINC000647552495 452279609 /nfs/dbraw/zinc/27/96/09/452279609.db2.gz BRSSFGNEFCECHM-GOSISDBHSA-N 1 3 330.476 1.799 20 0 EDADHO Cc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCCN(C(=O)CN)C2)cn1 ZINC000647552495 452279620 /nfs/dbraw/zinc/27/96/20/452279620.db2.gz BRSSFGNEFCECHM-GOSISDBHSA-N 1 3 330.476 1.799 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659444635 452294046 /nfs/dbraw/zinc/29/40/46/452294046.db2.gz MNYLTOHDXVUGDT-HUUCEWRRSA-N 1 3 338.427 1.208 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)[C@@H]2CCO)CC1 ZINC000661495494 452296588 /nfs/dbraw/zinc/29/65/88/452296588.db2.gz VRKZINRDNMWPAU-WBVHZDCISA-N 1 3 325.497 1.458 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450921 452301071 /nfs/dbraw/zinc/30/10/71/452301071.db2.gz IIPNEKPNJOTDAN-RCCFBDPRSA-N 1 3 348.466 1.632 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450921 452301077 /nfs/dbraw/zinc/30/10/77/452301077.db2.gz IIPNEKPNJOTDAN-RCCFBDPRSA-N 1 3 348.466 1.632 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659456933 452308359 /nfs/dbraw/zinc/30/83/59/452308359.db2.gz UMXJSMZMMJARAK-NJAFHUGGSA-N 1 3 346.450 1.807 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467241 452323979 /nfs/dbraw/zinc/32/39/79/452323979.db2.gz VIWXACCTPFTIGM-HPBDAGMYSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467241 452323987 /nfs/dbraw/zinc/32/39/87/452323987.db2.gz VIWXACCTPFTIGM-HPBDAGMYSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000665758392 452328014 /nfs/dbraw/zinc/32/80/14/452328014.db2.gz HAQMCMSNNPMGQZ-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000665758392 452328022 /nfs/dbraw/zinc/32/80/22/452328022.db2.gz HAQMCMSNNPMGQZ-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652137627 452332223 /nfs/dbraw/zinc/33/22/23/452332223.db2.gz RFLUJOFYAGTDFE-QKPAOTATSA-N 1 3 326.485 1.112 20 0 EDADHO CCC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665760878 452336718 /nfs/dbraw/zinc/33/67/18/452336718.db2.gz QZCSNHLBRBIHPX-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CCC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665760878 452336725 /nfs/dbraw/zinc/33/67/25/452336725.db2.gz QZCSNHLBRBIHPX-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCO1 ZINC000665763493 452342767 /nfs/dbraw/zinc/34/27/67/452342767.db2.gz CFEAOIFKIQMWBU-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCO1 ZINC000665763493 452342776 /nfs/dbraw/zinc/34/27/76/452342776.db2.gz CFEAOIFKIQMWBU-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCO1 ZINC000665763069 452343117 /nfs/dbraw/zinc/34/31/17/452343117.db2.gz YAULMFKDVSWSEX-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCO1 ZINC000665763069 452343123 /nfs/dbraw/zinc/34/31/23/452343123.db2.gz YAULMFKDVSWSEX-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663630135 452370034 /nfs/dbraw/zinc/37/00/34/452370034.db2.gz NAMQATVRHZKNOY-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO [NH3+][C@H](CNC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659519759 452381668 /nfs/dbraw/zinc/38/16/68/452381668.db2.gz LBEATDBELBRHBY-IAGOWNOFSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659537601 452397705 /nfs/dbraw/zinc/39/77/05/452397705.db2.gz SWMDMRZYEVBFNZ-QAPCUYQASA-N 1 3 345.491 1.591 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1cccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661719056 452527062 /nfs/dbraw/zinc/52/70/62/452527062.db2.gz OZWDSRUBEOCYNA-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1cccc(C[N@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661719056 452527067 /nfs/dbraw/zinc/52/70/67/452527067.db2.gz OZWDSRUBEOCYNA-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO Cc1c(N(C)CCN(C)C2CC2)ncnc1N(C)CC[N@H+](C)C1CC1 ZINC000663811028 452538988 /nfs/dbraw/zinc/53/89/88/452538988.db2.gz SLLPESSPUVURGK-UHFFFAOYSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1c(N(C)CCN(C)C2CC2)ncnc1N(C)CC[N@@H+](C)C1CC1 ZINC000663811028 452538992 /nfs/dbraw/zinc/53/89/92/452538992.db2.gz SLLPESSPUVURGK-UHFFFAOYSA-N 1 3 346.523 1.846 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659689176 452566443 /nfs/dbraw/zinc/56/64/43/452566443.db2.gz VSTVYURUCCQPCU-HZPDHXFCSA-N 1 3 340.512 1.247 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+]CCCN1CCCN(C)CC1 ZINC000657874214 452584044 /nfs/dbraw/zinc/58/40/44/452584044.db2.gz YKDHNNWHSVDMEI-SFHVURJKSA-N 1 3 327.513 1.435 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)ccn1 ZINC000654534399 452615762 /nfs/dbraw/zinc/61/57/62/452615762.db2.gz WERJQTHHEKRCNU-UHFFFAOYSA-N 1 3 334.464 1.626 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)ccn1 ZINC000654534399 452615770 /nfs/dbraw/zinc/61/57/70/452615770.db2.gz WERJQTHHEKRCNU-UHFFFAOYSA-N 1 3 334.464 1.626 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659725517 452619288 /nfs/dbraw/zinc/61/92/88/452619288.db2.gz XUXDDJXDFMDULQ-BBRMVZONSA-N 1 3 346.475 1.312 20 0 EDADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655911443 452668062 /nfs/dbraw/zinc/66/80/62/452668062.db2.gz JJHDBRWRVMFZJF-KBPBESRZSA-N 1 3 344.381 1.840 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919994 452682501 /nfs/dbraw/zinc/68/25/01/452682501.db2.gz RNEZTPBZAFZRIA-KBPBESRZSA-N 1 3 344.381 1.792 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922949 452685678 /nfs/dbraw/zinc/68/56/78/452685678.db2.gz VKBSVHUBXQHNDR-LLVKDONJSA-N 1 3 338.399 1.711 20 0 EDADHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990203 452733250 /nfs/dbraw/zinc/73/32/50/452733250.db2.gz FOBRHBONYLNBEG-OAHLLOKOSA-N 1 3 343.479 1.415 20 0 EDADHO CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CCN(C)C1 ZINC000664032851 452733186 /nfs/dbraw/zinc/73/31/86/452733186.db2.gz CUPQUOWPLBXXSI-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659878537 452754558 /nfs/dbraw/zinc/75/45/58/452754558.db2.gz LUWRNBCNICBSMR-QZTJIDSGSA-N 1 3 338.540 1.450 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CNC[C@H]1CNc2ccnn2C1 ZINC000648036330 452774139 /nfs/dbraw/zinc/77/41/39/452774139.db2.gz FSLOAPQBKQUMFG-HNNXBMFYSA-N 1 3 344.463 1.440 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648048952 452783603 /nfs/dbraw/zinc/78/36/03/452783603.db2.gz SEOXKPFYWNSGAW-HZPDHXFCSA-N 1 3 334.489 1.115 20 0 EDADHO NC(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000645786958 452788632 /nfs/dbraw/zinc/78/86/32/452788632.db2.gz NRBBRRUBOSRBGL-KBPBESRZSA-N 1 3 329.366 1.904 20 0 EDADHO NC(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000645786958 452788638 /nfs/dbraw/zinc/78/86/38/452788638.db2.gz NRBBRRUBOSRBGL-KBPBESRZSA-N 1 3 329.366 1.904 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652644806 452801996 /nfs/dbraw/zinc/80/19/96/452801996.db2.gz JCMOHUKCEFCDAA-AWEZNQCLSA-N 1 3 332.448 1.589 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730944 452849215 /nfs/dbraw/zinc/84/92/15/452849215.db2.gz ZKTQTYFXDLPPMC-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730944 452849228 /nfs/dbraw/zinc/84/92/28/452849228.db2.gz ZKTQTYFXDLPPMC-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000652708145 452860858 /nfs/dbraw/zinc/86/08/58/452860858.db2.gz NALQFGZCZCXETA-MRXNPFEDSA-N 1 3 338.496 1.097 20 0 EDADHO CC[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1CN)C1CCCCC1 ZINC000652708145 452860867 /nfs/dbraw/zinc/86/08/67/452860867.db2.gz NALQFGZCZCXETA-MRXNPFEDSA-N 1 3 338.496 1.097 20 0 EDADHO [NH3+]C1(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000645935880 452913003 /nfs/dbraw/zinc/91/30/03/452913003.db2.gz HYEYUNHHPJEELR-UHFFFAOYSA-N 1 3 331.460 1.531 20 0 EDADHO COc1cc(OC)c2ncnc(NCC[N@H+](C)CCCN(C)C)c2c1 ZINC000664248087 452928091 /nfs/dbraw/zinc/92/80/91/452928091.db2.gz NWFSXOZKVKXLMD-UHFFFAOYSA-N 1 3 347.463 1.942 20 0 EDADHO COc1cc(OC)c2ncnc(NCC[N@@H+](C)CCCN(C)C)c2c1 ZINC000664248087 452928094 /nfs/dbraw/zinc/92/80/94/452928094.db2.gz NWFSXOZKVKXLMD-UHFFFAOYSA-N 1 3 347.463 1.942 20 0 EDADHO COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000656194184 452953837 /nfs/dbraw/zinc/95/38/37/452953837.db2.gz BZGPCCUBLPDZHR-DZGCQCFKSA-N 1 3 333.432 1.306 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C(=O)NCCN(C)C)CC2)C1 ZINC000660054990 452968988 /nfs/dbraw/zinc/96/89/88/452968988.db2.gz ATICNMTYTHWXFV-IRXDYDNUSA-N 1 3 338.540 1.354 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(CCc2c[nH]nn2)CC1 ZINC000660075758 452990853 /nfs/dbraw/zinc/99/08/53/452990853.db2.gz CAHARAVTFPGKGD-UHFFFAOYSA-N 1 3 344.463 1.110 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@@H]4CNCCO4)C3)C2)cc1 ZINC000662264116 452994421 /nfs/dbraw/zinc/99/44/21/452994421.db2.gz RIDLQUUSOTZOGW-PMACEKPBSA-N 1 3 329.488 1.963 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@@H]4CNCCO4)C3)C2)cc1 ZINC000662264116 452994431 /nfs/dbraw/zinc/99/44/31/452994431.db2.gz RIDLQUUSOTZOGW-PMACEKPBSA-N 1 3 329.488 1.963 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)C1 ZINC000646002967 452997704 /nfs/dbraw/zinc/99/77/04/452997704.db2.gz LRRQKGCHXKEMRG-QZTJIDSGSA-N 1 3 336.524 1.523 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H](N)CC3CCCCC3)CC2)C1 ZINC000646002967 452997711 /nfs/dbraw/zinc/99/77/11/452997711.db2.gz LRRQKGCHXKEMRG-QZTJIDSGSA-N 1 3 336.524 1.523 20 0 EDADHO O=c1n2ccccc2nn1CCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296864 453019157 /nfs/dbraw/zinc/01/91/57/453019157.db2.gz NZHUAIIOUGTBOM-INIZCTEOSA-N 1 3 329.448 1.208 20 0 EDADHO O=C(CN1C[C@]23COC[C@@]2(C1)CCCC3)NC1CC[NH+](C2CC2)CC1 ZINC000662317303 453032777 /nfs/dbraw/zinc/03/27/77/453032777.db2.gz PSQNEPLQNIIXOH-BGYRXZFFSA-N 1 3 347.503 1.622 20 0 EDADHO CC(C)COCCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339004 453056303 /nfs/dbraw/zinc/05/63/03/453056303.db2.gz ZCDMHVSGDZCIDP-MRXNPFEDSA-N 1 3 335.496 1.671 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644124762 453063053 /nfs/dbraw/zinc/06/30/53/453063053.db2.gz PJZVFSCXAXKCHL-OAHLLOKOSA-N 1 3 343.393 1.961 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000664443067 453099249 /nfs/dbraw/zinc/09/92/49/453099249.db2.gz BCCGVVMFUYPZDX-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)C1CCOCC1 ZINC000664443067 453099258 /nfs/dbraw/zinc/09/92/58/453099258.db2.gz BCCGVVMFUYPZDX-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)N1CCC(C)CC1 ZINC000662416584 453126874 /nfs/dbraw/zinc/12/68/74/453126874.db2.gz DJNBRYCNJFFGTD-AWEZNQCLSA-N 1 3 334.464 1.992 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666846007 453185565 /nfs/dbraw/zinc/18/55/65/453185565.db2.gz SZDCBPPBQYXLEV-INIZCTEOSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666846007 453185574 /nfs/dbraw/zinc/18/55/74/453185574.db2.gz SZDCBPPBQYXLEV-INIZCTEOSA-N 1 3 344.459 1.274 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000646186656 453200730 /nfs/dbraw/zinc/20/07/30/453200730.db2.gz DIJZKNQMZSGSMZ-JKSUJKDBSA-N 1 3 348.495 1.019 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214274 453226127 /nfs/dbraw/zinc/22/61/27/453226127.db2.gz QWXNFUWGZASYDU-JKSUJKDBSA-N 1 3 339.528 1.312 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000653108277 453291799 /nfs/dbraw/zinc/29/17/99/453291799.db2.gz QEQAOWOVLSMHLN-SFHVURJKSA-N 1 3 332.492 1.089 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)CC12CCOCC2 ZINC000662572002 453298583 /nfs/dbraw/zinc/29/85/83/453298583.db2.gz VNESRFGSYMWICC-RDJZCZTQSA-N 1 3 329.444 1.435 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113448 453300972 /nfs/dbraw/zinc/30/09/72/453300972.db2.gz CCYXYUQOKPYGPJ-YJBOKZPZSA-N 1 3 349.500 1.312 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000662658867 453370497 /nfs/dbraw/zinc/37/04/97/453370497.db2.gz KTWNLLDDULTLKY-LSDHHAIUSA-N 1 3 325.403 1.744 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000662658867 453370504 /nfs/dbraw/zinc/37/05/04/453370504.db2.gz KTWNLLDDULTLKY-LSDHHAIUSA-N 1 3 325.403 1.744 20 0 EDADHO CC(C)(CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662679874 453399378 /nfs/dbraw/zinc/39/93/78/453399378.db2.gz QQYKJRZKMQVQMY-SJORKVTESA-N 1 3 331.460 1.303 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662687007 453409171 /nfs/dbraw/zinc/40/91/71/453409171.db2.gz TWNIRIRESAALGT-UCMJJCQDSA-N 1 3 343.427 1.101 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)F)CC2)CC1 ZINC000660573905 453413101 /nfs/dbraw/zinc/41/31/01/453413101.db2.gz LETPAEVJIPBICC-UHFFFAOYSA-N 1 3 328.476 1.982 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000667156519 453445676 /nfs/dbraw/zinc/44/56/76/453445676.db2.gz QNNQCICSSLFAFD-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1(NC2CC2)CCC1 ZINC000662731368 453456923 /nfs/dbraw/zinc/45/69/23/453456923.db2.gz DDLHAPFSVVISCD-UHFFFAOYSA-N 1 3 335.492 1.812 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000662746962 453476657 /nfs/dbraw/zinc/47/66/57/453476657.db2.gz ZOGLBUYSGCOFTK-IXYNUQLISA-N 1 3 337.489 1.611 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000662858137 453573860 /nfs/dbraw/zinc/57/38/60/453573860.db2.gz GFFKOUGCILOJKB-CRAIPNDOSA-N 1 3 330.476 1.798 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005659 453644184 /nfs/dbraw/zinc/64/41/84/453644184.db2.gz XFVJBZZXNPEJLX-MIALQEHNSA-N 1 3 349.519 1.757 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005659 453644191 /nfs/dbraw/zinc/64/41/91/453644191.db2.gz XFVJBZZXNPEJLX-MIALQEHNSA-N 1 3 349.519 1.757 20 0 EDADHO [NH3+]CCn1cc(C(=O)NCc2ccccc2CN2CCCCC2)nn1 ZINC000659275485 453696491 /nfs/dbraw/zinc/69/64/91/453696491.db2.gz ZEHUJQIWKOLODE-UHFFFAOYSA-N 1 3 342.447 1.153 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661209829 453759870 /nfs/dbraw/zinc/75/98/70/453759870.db2.gz LQNLBSVTQAPKTN-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661209829 453759874 /nfs/dbraw/zinc/75/98/74/453759874.db2.gz LQNLBSVTQAPKTN-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000663503946 453811532 /nfs/dbraw/zinc/81/15/32/453811532.db2.gz VIBNZOVRNLIXGL-QGZVFWFLSA-N 1 3 338.496 1.415 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2c(Cl)cnn2C)CC1 ZINC000663506080 453812223 /nfs/dbraw/zinc/81/22/23/453812223.db2.gz PEZVSADXFWCMSP-UHFFFAOYSA-N 1 3 327.860 1.154 20 0 EDADHO CC(C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)C(=O)NCCN(C)C ZINC000667723996 486935049 /nfs/dbraw/zinc/93/50/49/486935049.db2.gz RJXGYRAYTSCOQZ-INIZCTEOSA-N 1 3 349.479 1.359 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@@H](C)C1 ZINC000667799544 486970085 /nfs/dbraw/zinc/97/00/85/486970085.db2.gz XQMILADSTMMXEY-SUMWQHHRSA-N 1 3 331.464 1.921 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@@H](C)C1 ZINC000667799544 486970089 /nfs/dbraw/zinc/97/00/89/486970089.db2.gz XQMILADSTMMXEY-SUMWQHHRSA-N 1 3 331.464 1.921 20 0 EDADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000673869092 487140440 /nfs/dbraw/zinc/14/04/40/487140440.db2.gz LFWIAPNPSYYFJL-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441693 487275175 /nfs/dbraw/zinc/27/51/75/487275175.db2.gz LGYQVLUGWFHGOP-IEBWSBKVSA-N 1 3 347.503 1.922 20 0 EDADHO C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000682498895 487376948 /nfs/dbraw/zinc/37/69/48/487376948.db2.gz QIRDXZAXVUNCNM-AWEZNQCLSA-N 1 3 340.489 1.712 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114105 487379528 /nfs/dbraw/zinc/37/95/28/487379528.db2.gz FSADUQOQLUXFFY-WMLDXEAASA-N 1 3 329.448 1.396 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000682556144 487388430 /nfs/dbraw/zinc/38/84/30/487388430.db2.gz DVWQGFKPDWKSPK-JQHSSLGASA-N 1 3 331.460 1.713 20 0 EDADHO C[C@H](NCC(=O)N1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782258 487443688 /nfs/dbraw/zinc/44/36/88/487443688.db2.gz PKPWKHWDZQEJDW-INIZCTEOSA-N 1 3 348.491 1.052 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561205 485568384 /nfs/dbraw/zinc/56/83/84/485568384.db2.gz YXUXEQIPVYTNGK-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389600 486025455 /nfs/dbraw/zinc/02/54/55/486025455.db2.gz DFZVKJMZOGEWEO-HUUCEWRRSA-N 1 3 340.537 1.727 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669469574 486221214 /nfs/dbraw/zinc/22/12/14/486221214.db2.gz PAULSKDSUFCWBV-CQSZACIVSA-N 1 3 326.485 1.317 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491342 486263464 /nfs/dbraw/zinc/26/34/64/486263464.db2.gz WBXISBVEENIEDG-KZNAEPCWSA-N 1 3 334.508 1.892 20 0 EDADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000669491362 486263850 /nfs/dbraw/zinc/26/38/50/486263850.db2.gz WPWLIAAAOODYSX-SJORKVTESA-N 1 3 334.508 1.890 20 0 EDADHO CC[C@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000669496423 486270461 /nfs/dbraw/zinc/27/04/61/486270461.db2.gz NHECAVRMMAFJBH-MAUKXSAKSA-N 1 3 344.503 1.854 20 0 EDADHO CCC[NH+]1CCC(N(C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005713 /nfs/dbraw/zinc/00/57/13/491005713.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 1 3 327.513 1.263 20 0 EDADHO CCCN1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005715 /nfs/dbraw/zinc/00/57/15/491005715.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 1 3 327.513 1.263 20 0 EDADHO CCCN1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000304721278 491005717 /nfs/dbraw/zinc/00/57/17/491005717.db2.gz OQXVJBJOHWOYFR-NUJGCVRESA-N 1 3 327.513 1.263 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173920547 528186904 /nfs/dbraw/zinc/18/69/04/528186904.db2.gz XPKPJWCNNGMWRL-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1(C)C ZINC000261551780 535535734 /nfs/dbraw/zinc/53/57/34/535535734.db2.gz XTNXDFRNEAFRTO-QKLQHJQFSA-N 1 3 345.487 1.910 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000236939266 535692499 /nfs/dbraw/zinc/69/24/99/535692499.db2.gz XIMCLWBARPZGEE-IBGZPJMESA-N 1 3 344.503 1.235 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000333661823 535937068 /nfs/dbraw/zinc/93/70/68/535937068.db2.gz MFUTVYJBAQSXCC-QGZVFWFLSA-N 1 3 334.468 1.394 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000333661823 535937073 /nfs/dbraw/zinc/93/70/73/535937073.db2.gz MFUTVYJBAQSXCC-QGZVFWFLSA-N 1 3 334.468 1.394 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000262351254 536017242 /nfs/dbraw/zinc/01/72/42/536017242.db2.gz ULXFXTVEVGEDLD-CQSZACIVSA-N 1 3 325.478 1.498 20 0 EDADHO CN(C)[C@]1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCSC1 ZINC000262177102 536140889 /nfs/dbraw/zinc/14/08/89/536140889.db2.gz BEHKPIWPBCJVEV-RVKIBGRLSA-N 1 3 325.522 1.694 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877993 /nfs/dbraw/zinc/87/79/93/536877993.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 1 3 345.487 1.591 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877996 /nfs/dbraw/zinc/87/79/96/536877996.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 1 3 345.487 1.591 20 0 EDADHO CC[C@H](C)[C@H]1CCCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056737 578478075 /nfs/dbraw/zinc/47/80/75/578478075.db2.gz QAOSMSPWFRXGJI-LSDHHAIUSA-N 1 3 336.480 1.861 20 0 EDADHO COCCN1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727081419 578517387 /nfs/dbraw/zinc/51/73/87/578517387.db2.gz GIIJQSXFCVBFHG-UHFFFAOYSA-N 1 3 330.542 1.149 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729606749 578584543 /nfs/dbraw/zinc/58/45/43/578584543.db2.gz PZNQCFTUTNNKOJ-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000768938808 580224595 /nfs/dbraw/zinc/22/45/95/580224595.db2.gz UEPCZCHKSZGLAQ-HOTGVXAUSA-N 1 3 336.480 1.119 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000780947176 580538529 /nfs/dbraw/zinc/53/85/29/580538529.db2.gz SMRJGRMJEZTNIX-SISKNIMQSA-N 1 3 337.508 1.958 20 0 EDADHO O=C(NC[C@H]1CCCCN1C1CC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891857436 590658020 /nfs/dbraw/zinc/65/80/20/590658020.db2.gz BEJTURQXGPHLOL-GXTWGEPZSA-N 1 3 330.423 1.547 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000173 590736809 /nfs/dbraw/zinc/73/68/09/590736809.db2.gz PTEXCNDAZBOCPL-FUHWJXTLSA-N 1 3 330.476 1.868 20 0 EDADHO COCCOc1ccc(CNCCC[N@@H+]2CCCN(C)CC2)o1 ZINC000893318586 590775781 /nfs/dbraw/zinc/77/57/81/590775781.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 1 3 325.453 1.422 20 0 EDADHO COCCOc1ccc(CNCCC[N@H+]2CCCN(C)CC2)o1 ZINC000893318586 590775783 /nfs/dbraw/zinc/77/57/83/590775783.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 1 3 325.453 1.422 20 0 EDADHO COCCOc1ccc(CNCCCN2CCC[N@H+](C)CC2)o1 ZINC000893318586 590775788 /nfs/dbraw/zinc/77/57/88/590775788.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 1 3 325.453 1.422 20 0 EDADHO COCCOc1ccc(CNCCCN2CCC[N@@H+](C)CC2)o1 ZINC000893318586 590775792 /nfs/dbraw/zinc/77/57/92/590775792.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 1 3 325.453 1.422 20 0 EDADHO CCOC(=O)c1ncc(C[NH2+]CCCN2CCN(C)CC2)s1 ZINC000893323339 590779000 /nfs/dbraw/zinc/77/90/00/590779000.db2.gz BXCWBVJAOUKISI-UHFFFAOYSA-N 1 3 326.466 1.047 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000892117961 590808407 /nfs/dbraw/zinc/80/84/07/590808407.db2.gz BAZBWUNVSJLNDL-NVXWUHKLSA-N 1 3 330.476 1.951 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000890883205 590830866 /nfs/dbraw/zinc/83/08/66/590830866.db2.gz MTEOQGXFTFQCAR-HXUWFJFHSA-N 1 3 347.503 1.670 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000892248546 590885983 /nfs/dbraw/zinc/88/59/83/590885983.db2.gz MNVTXCDKZVUYNM-UHFFFAOYSA-N 1 3 326.485 1.258 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892438360 591028541 /nfs/dbraw/zinc/02/85/41/591028541.db2.gz YSTHJZOHRIWAKX-JYJNAYRXSA-N 1 3 338.496 1.399 20 0 EDADHO CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000892529986 591060670 /nfs/dbraw/zinc/06/06/70/591060670.db2.gz HBJXEZFOOLZUGA-QZTJIDSGSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530765 591060753 /nfs/dbraw/zinc/06/07/53/591060753.db2.gz XDCBFOPOYLWXCL-JQHSSLGASA-N 1 3 330.476 1.948 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530763 591061254 /nfs/dbraw/zinc/06/12/54/591061254.db2.gz XDAYLNHNFMYXNL-RYQLBKOJSA-N 1 3 346.475 1.327 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530726 591061471 /nfs/dbraw/zinc/06/14/71/591061471.db2.gz WBTUYLCTIIKBTO-HFCFLWKCSA-N 1 3 328.460 1.702 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000891412975 591070076 /nfs/dbraw/zinc/07/00/76/591070076.db2.gz VAHJHIIUEIEFIV-HNNXBMFYSA-N 1 3 340.418 1.662 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891455759 591078360 /nfs/dbraw/zinc/07/83/60/591078360.db2.gz GKOYTLWOBDZQGZ-IYBDPMFKSA-N 1 3 332.448 1.273 20 0 EDADHO [NH3+][C@H](CCNC(=O)N[C@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000891576263 591132161 /nfs/dbraw/zinc/13/21/61/591132161.db2.gz KDQLCULXRLQCLI-MSOLQXFVSA-N 1 3 330.476 1.730 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643865 591164965 /nfs/dbraw/zinc/16/49/65/591164965.db2.gz IQQVMWGGDYNUHS-UBDQQSCGSA-N 1 3 328.460 1.653 20 0 EDADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780910 591173360 /nfs/dbraw/zinc/17/33/60/591173360.db2.gz WOXDHAYHMIOOKJ-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2Cc3ccccc3CN2)CC[N@@H+]1C ZINC000892804709 591184515 /nfs/dbraw/zinc/18/45/15/591184515.db2.gz IUHCLMMLBIBPGL-OLMNPRSZSA-N 1 3 330.476 1.825 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2Cc3ccccc3CN2)CC[N@H+]1C ZINC000892804709 591184518 /nfs/dbraw/zinc/18/45/18/591184518.db2.gz IUHCLMMLBIBPGL-OLMNPRSZSA-N 1 3 330.476 1.825 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892804604 591184621 /nfs/dbraw/zinc/18/46/21/591184621.db2.gz XHKLUDWEVFOGHX-FHLIZLRMSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892804604 591184622 /nfs/dbraw/zinc/18/46/22/591184622.db2.gz XHKLUDWEVFOGHX-FHLIZLRMSA-N 1 3 330.476 1.683 20 0 EDADHO C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(N)ccn2)[C@H]1c1ccccc1 ZINC000891723671 591198695 /nfs/dbraw/zinc/19/86/95/591198695.db2.gz SWENUASXCDQUNJ-IAGOWNOFSA-N 1 3 325.416 1.908 20 0 EDADHO C[N@H+]1CC[C@@H](NC(=O)NCc2cc(N)ccn2)[C@H]1c1ccccc1 ZINC000891723671 591198696 /nfs/dbraw/zinc/19/86/96/591198696.db2.gz SWENUASXCDQUNJ-IAGOWNOFSA-N 1 3 325.416 1.908 20 0 EDADHO CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CCN(C)CC1 ZINC000891753105 591211578 /nfs/dbraw/zinc/21/15/78/591211578.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CCN(C)CC1 ZINC000891753105 591211581 /nfs/dbraw/zinc/21/15/81/591211581.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cncs1 ZINC000895667067 591247432 /nfs/dbraw/zinc/24/74/32/591247432.db2.gz XUBFXYOMYAMZLJ-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cncs1 ZINC000895667067 591247434 /nfs/dbraw/zinc/24/74/34/591247434.db2.gz XUBFXYOMYAMZLJ-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253075 591248644 /nfs/dbraw/zinc/24/86/44/591248644.db2.gz FTKGOAPYTALABG-LSDHHAIUSA-N 1 3 329.460 1.236 20 0 EDADHO C[C@@H]1C[C@]2(CC[C@H](CNC3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819273 591280895 /nfs/dbraw/zinc/28/08/95/591280895.db2.gz WIGDBEZRLAQNEU-QGPMSJSTSA-N 1 3 326.481 1.538 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357489 /nfs/dbraw/zinc/35/74/89/591357489.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 1 3 342.487 1.915 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357491 /nfs/dbraw/zinc/35/74/91/591357491.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 1 3 342.487 1.915 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000899977816 591853761 /nfs/dbraw/zinc/85/37/61/591853761.db2.gz SWXZCIBXFSNWNR-SFHVURJKSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333448 591875773 /nfs/dbraw/zinc/87/57/73/591875773.db2.gz TVILHWKWQZMIKG-RDJZCZTQSA-N 1 3 348.491 1.972 20 0 EDADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333448 591875777 /nfs/dbraw/zinc/87/57/77/591875777.db2.gz TVILHWKWQZMIKG-RDJZCZTQSA-N 1 3 348.491 1.972 20 0 EDADHO [NH3+]CCCC[C@H](NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390375 591990047 /nfs/dbraw/zinc/99/00/47/591990047.db2.gz LHDRQDJVFZCPDK-BBRMVZONSA-N 1 3 339.390 1.377 20 0 EDADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442350 592019590 /nfs/dbraw/zinc/01/95/90/592019590.db2.gz QDKAZLDYUFMORR-SJORKVTESA-N 1 3 342.443 1.884 20 0 EDADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442350 592019592 /nfs/dbraw/zinc/01/95/92/592019592.db2.gz QDKAZLDYUFMORR-SJORKVTESA-N 1 3 342.443 1.884 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900588378 592060606 /nfs/dbraw/zinc/06/06/06/592060606.db2.gz ZNYCHBIZYQHOKT-UHFFFAOYSA-N 1 3 332.448 1.941 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903118572 592123376 /nfs/dbraw/zinc/12/33/76/592123376.db2.gz FJNKCFQPOWPJBA-PKOBYXMFSA-N 1 3 347.459 1.016 20 0 EDADHO CCOc1ccccc1OCCN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492366 592185243 /nfs/dbraw/zinc/18/52/43/592185243.db2.gz OFCQRDKYFCDEEX-KHYOSLBOSA-N 1 3 348.443 1.676 20 0 EDADHO C[C@@H]1CN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1CC[NH3+] ZINC000903496598 592187769 /nfs/dbraw/zinc/18/77/69/592187769.db2.gz VBGJCYOYBAIPKW-UKRRQHHQSA-N 1 3 344.459 1.434 20 0 EDADHO [NH3+]CCOCCN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000903565633 592212366 /nfs/dbraw/zinc/21/23/66/592212366.db2.gz OPBWRAVWQKDABV-UHFFFAOYSA-N 1 3 349.410 1.501 20 0 EDADHO COc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc2c1OCCO2 ZINC000904389775 592243340 /nfs/dbraw/zinc/24/33/40/592243340.db2.gz UQVQNHSBPZXEJG-OAHLLOKOSA-N 1 3 348.443 1.796 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000906672206 592254020 /nfs/dbraw/zinc/25/40/20/592254020.db2.gz JGFPUVHJQQUIBO-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000906672206 592254026 /nfs/dbraw/zinc/25/40/26/592254026.db2.gz JGFPUVHJQQUIBO-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906679660 592260752 /nfs/dbraw/zinc/26/07/52/592260752.db2.gz WHWGXIPZPTWIMC-ZDUSSCGKSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906679660 592260754 /nfs/dbraw/zinc/26/07/54/592260754.db2.gz WHWGXIPZPTWIMC-ZDUSSCGKSA-N 1 3 332.448 1.320 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000904473148 592268692 /nfs/dbraw/zinc/26/86/92/592268692.db2.gz OLPKJTLXOAILFQ-GVDBMIGSSA-N 1 3 333.480 1.841 20 0 EDADHO CCOc1ccc(CC[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904477394 592269677 /nfs/dbraw/zinc/26/96/77/592269677.db2.gz VIGYNCRDPMAFJD-KRWDZBQOSA-N 1 3 333.476 1.757 20 0 EDADHO CCOc1ccc(CC[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904477394 592269679 /nfs/dbraw/zinc/26/96/79/592269679.db2.gz VIGYNCRDPMAFJD-KRWDZBQOSA-N 1 3 333.476 1.757 20 0 EDADHO c1nnc([C@@H]2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751338 592295836 /nfs/dbraw/zinc/29/58/36/592295836.db2.gz CZQSQYOBARNZPQ-HFTRVMKXSA-N 1 3 331.464 1.561 20 0 EDADHO CCCCNC(=O)C1(NC[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734244 592297748 /nfs/dbraw/zinc/29/77/48/592297748.db2.gz WLTOHYUZBYGMCG-FUHWJXTLSA-N 1 3 337.508 1.964 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCNCc3c(C)cccc32)cnn1C ZINC000903919359 592377515 /nfs/dbraw/zinc/37/75/15/592377515.db2.gz NJEDNBWLOOSECM-INIZCTEOSA-N 1 3 327.476 1.764 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccccc2-n2cccn2)cnn1C ZINC000903920809 592378297 /nfs/dbraw/zinc/37/82/97/592378297.db2.gz LVLAYYNAGLXYAB-INIZCTEOSA-N 1 3 338.459 1.821 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+]CCc2cn3ccccc3n2)cnn1C ZINC000903925305 592379555 /nfs/dbraw/zinc/37/95/55/592379555.db2.gz DOKXIAUOUBOQID-OAHLLOKOSA-N 1 3 326.448 1.326 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNCCc2cn3ccccc3n2)cnn1C ZINC000903925305 592379561 /nfs/dbraw/zinc/37/95/61/592379561.db2.gz DOKXIAUOUBOQID-OAHLLOKOSA-N 1 3 326.448 1.326 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203442 592380854 /nfs/dbraw/zinc/38/08/54/592380854.db2.gz DBHGQNDSULAVHK-FUHWJXTLSA-N 1 3 337.439 1.391 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203442 592380857 /nfs/dbraw/zinc/38/08/57/592380857.db2.gz DBHGQNDSULAVHK-FUHWJXTLSA-N 1 3 337.439 1.391 20 0 EDADHO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC[C@H]([NH3+])CC(F)F ZINC000903927085 592380977 /nfs/dbraw/zinc/38/09/77/592380977.db2.gz PVFVDIKHLZRPCC-XQQFMLRXSA-N 1 3 334.386 1.776 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)C1(O)CCOCC1 ZINC000905022614 592383139 /nfs/dbraw/zinc/38/31/39/592383139.db2.gz AXKZRYZXALIQAK-LJQANCHMSA-N 1 3 348.487 1.665 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917528 592390896 /nfs/dbraw/zinc/39/08/96/592390896.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 1 3 330.480 1.237 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917528 592390900 /nfs/dbraw/zinc/39/09/00/592390900.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 1 3 330.480 1.237 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc(OC)cc(OC)c1)C2 ZINC000903978944 592400335 /nfs/dbraw/zinc/40/03/35/592400335.db2.gz PCYHHANYBKUVPV-IYOUNJFTSA-N 1 3 334.416 1.416 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc3ccc(C)cn13)C2 ZINC000903979187 592400383 /nfs/dbraw/zinc/40/03/83/592400383.db2.gz YBTWZGQOVCFQPS-IYOUNJFTSA-N 1 3 328.416 1.355 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000908425803 592490676 /nfs/dbraw/zinc/49/06/76/592490676.db2.gz CCOTVOCJPBSDMX-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO Cc1cc2c(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)nccn2n1 ZINC000905700764 592614446 /nfs/dbraw/zinc/61/44/46/592614446.db2.gz QGRBSRARUOAOKX-IYBDPMFKSA-N 1 3 326.448 1.443 20 0 EDADHO Cc1cc2c(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)nccn2n1 ZINC000905700764 592614448 /nfs/dbraw/zinc/61/44/48/592614448.db2.gz QGRBSRARUOAOKX-IYBDPMFKSA-N 1 3 326.448 1.443 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905890527 592669183 /nfs/dbraw/zinc/66/91/83/592669183.db2.gz SUPUDASNOGRBGY-WOJBJXKFSA-N 1 3 348.487 1.665 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nccc(C)n3)CC2)CC1 ZINC000911005360 592910119 /nfs/dbraw/zinc/91/01/19/592910119.db2.gz GTBCWDPVNHMKAX-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1NCC[C@@H]2CCCC[C@H]12 ZINC000911734486 592992476 /nfs/dbraw/zinc/99/24/76/592992476.db2.gz CJOWRYIQKPWRTD-QILLFSRXSA-N 1 3 343.475 1.598 20 0 EDADHO N[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C1CCCCCC1 ZINC000911736412 592993362 /nfs/dbraw/zinc/99/33/62/592993362.db2.gz QQQPYSVWCAHFPD-QGZVFWFLSA-N 1 3 331.464 1.727 20 0 EDADHO [NH3+]CCc1cnc2c(C(=O)Nc3cccc4c3CCNC4)cnn2c1 ZINC000911789394 593009376 /nfs/dbraw/zinc/00/93/76/593009376.db2.gz IOXZVNRGFDMQQO-UHFFFAOYSA-N 1 3 336.399 1.129 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1c(F)cc(F)cc1F ZINC000838623611 593197187 /nfs/dbraw/zinc/19/71/87/593197187.db2.gz YXAJCVSIFHEPLH-UHFFFAOYSA-N 1 3 346.397 1.739 20 0 EDADHO CC(C)(C)OC(=O)N1CCC([C@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167761 593676766 /nfs/dbraw/zinc/67/67/66/593676766.db2.gz VGIABAKQPZRPBW-OWCLPIDISA-N 1 3 339.480 1.146 20 0 EDADHO CN1CCN(C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000827429326 594671093 /nfs/dbraw/zinc/67/10/93/594671093.db2.gz BNJIUMMZFVBCGR-UHFFFAOYSA-N 1 3 334.508 1.101 20 0 EDADHO Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1C ZINC000841004707 594837773 /nfs/dbraw/zinc/83/77/73/594837773.db2.gz NGGBFVDPLCOLJL-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841017497 594839752 /nfs/dbraw/zinc/83/97/52/594839752.db2.gz DZEMFLYBEUIRSX-OAHLLOKOSA-N 1 3 333.480 1.948 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847549 594964673 /nfs/dbraw/zinc/96/46/73/594964673.db2.gz RBNTXHJTYYTVIZ-CYBMUJFWSA-N 1 3 333.432 1.922 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927100 594983112 /nfs/dbraw/zinc/98/31/12/594983112.db2.gz FQEFJAHOISBCQA-LJQANCHMSA-N 1 3 346.475 1.017 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674359 595298751 /nfs/dbraw/zinc/29/87/51/595298751.db2.gz NDQPFDJSCCCBQK-KRWDZBQOSA-N 1 3 333.480 1.046 20 0 EDADHO [NH2+]=C(NCC(=O)NC1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849057347 595476123 /nfs/dbraw/zinc/47/61/23/595476123.db2.gz OSVIVSLSIQXREN-UHFFFAOYSA-N 1 3 329.448 1.044 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000849350248 595509472 /nfs/dbraw/zinc/50/94/72/595509472.db2.gz MNGNVISZODMGTK-QGZVFWFLSA-N 1 3 331.460 1.762 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495273 595550501 /nfs/dbraw/zinc/55/05/01/595550501.db2.gz BSMHRRBWTMQHBS-MSOLQXFVSA-N 1 3 347.507 1.448 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522094 595558055 /nfs/dbraw/zinc/55/80/55/595558055.db2.gz JHXQXXHSQJIBOR-PVAVHDDUSA-N 1 3 333.480 1.056 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000855346328 595680266 /nfs/dbraw/zinc/68/02/66/595680266.db2.gz WZKPZFNFNPJDRE-YJBOKZPZSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000855346328 595680267 /nfs/dbraw/zinc/68/02/67/595680267.db2.gz WZKPZFNFNPJDRE-YJBOKZPZSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H](C)N1CCCCC1 ZINC000853466269 595759218 /nfs/dbraw/zinc/75/92/18/595759218.db2.gz XKLQGRRZJSVPIW-IRXDYDNUSA-N 1 3 341.544 1.432 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525901 595818758 /nfs/dbraw/zinc/81/87/58/595818758.db2.gz NVYOQAZOAGMPLM-JYJNAYRXSA-N 1 3 341.496 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525901 595818761 /nfs/dbraw/zinc/81/87/61/595818761.db2.gz NVYOQAZOAGMPLM-JYJNAYRXSA-N 1 3 341.496 1.942 20 0 EDADHO C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000851660561 595872539 /nfs/dbraw/zinc/87/25/39/595872539.db2.gz SIUXOIXYQAFSBT-ZHALLVOQSA-N 1 3 348.466 1.979 20 0 EDADHO C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000851660561 595872544 /nfs/dbraw/zinc/87/25/44/595872544.db2.gz SIUXOIXYQAFSBT-ZHALLVOQSA-N 1 3 348.466 1.979 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000859215075 596006983 /nfs/dbraw/zinc/00/69/83/596006983.db2.gz YAIMVSYAPAWCHV-RTBURBONSA-N 1 3 336.476 1.737 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861554910 596028375 /nfs/dbraw/zinc/02/83/75/596028375.db2.gz ZNPBQCXQJUCUHM-INIZCTEOSA-N 1 3 347.507 1.313 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000852064202 596030295 /nfs/dbraw/zinc/03/02/95/596030295.db2.gz VOSUJPDWRMZMSV-YESZJQIVSA-N 1 3 338.496 1.269 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2CCC3(CNC3)O2)C1 ZINC000852750976 596237825 /nfs/dbraw/zinc/23/78/25/596237825.db2.gz LPCAQPJQHRKMJA-KKUMJFAQSA-N 1 3 325.453 1.354 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CCCOc2ccc(F)cc2)C1 ZINC000866709812 596304419 /nfs/dbraw/zinc/30/44/19/596304419.db2.gz UMKDZWUAAVWKJC-UAGQMJEPSA-N 1 3 349.406 1.462 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907498 596398744 /nfs/dbraw/zinc/39/87/44/596398744.db2.gz WSNAKSDRRNSTNM-SMDDNHRTSA-N 1 3 334.489 1.823 20 0 EDADHO C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000869236708 596456126 /nfs/dbraw/zinc/45/61/26/596456126.db2.gz HPXWOEKRFWDMNR-HNNXBMFYSA-N 1 3 346.475 1.813 20 0 EDADHO C=CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000869236708 596456128 /nfs/dbraw/zinc/45/61/28/596456128.db2.gz HPXWOEKRFWDMNR-HNNXBMFYSA-N 1 3 346.475 1.813 20 0 EDADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868225595 596734804 /nfs/dbraw/zinc/73/48/04/596734804.db2.gz UYZRYGBTRVHOLL-DLBZAZTESA-N 1 3 344.459 1.288 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287127 596766917 /nfs/dbraw/zinc/76/69/17/596766917.db2.gz YHBHFPVOLKIBFN-ISXOHVOVSA-N 1 3 326.485 1.269 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868303170 596777950 /nfs/dbraw/zinc/77/79/50/596777950.db2.gz XLDFUQXIZGYTFQ-GASCZTMLSA-N 1 3 332.448 1.320 20 0 EDADHO COCCN(C)CCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868357116 596799414 /nfs/dbraw/zinc/79/94/14/596799414.db2.gz ODNKLALTXIQYER-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000872304987 596875303 /nfs/dbraw/zinc/87/53/03/596875303.db2.gz FCYREHZBWFEMLH-CEXWTWQISA-N 1 3 345.487 1.777 20 0 EDADHO CC(C)[C@@H](CNS(=O)(=O)CCCN(C)C)[NH+]1CCC(C)CC1 ZINC000866485024 596892531 /nfs/dbraw/zinc/89/25/31/596892531.db2.gz CZGIAQKNTHHCBP-MRXNPFEDSA-N 1 3 333.542 1.614 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000875712403 596956696 /nfs/dbraw/zinc/95/66/96/596956696.db2.gz DUBYXCBEVARELH-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000875712403 596956698 /nfs/dbraw/zinc/95/66/98/596956698.db2.gz DUBYXCBEVARELH-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(O)c2)on1 ZINC000874382474 597049764 /nfs/dbraw/zinc/04/97/64/597049764.db2.gz NIWPFPYOZWLKLI-UHFFFAOYSA-N 1 3 346.431 1.613 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000876098237 597089313 /nfs/dbraw/zinc/08/93/13/597089313.db2.gz NLSPPECNRSOTLW-DLBZAZTESA-N 1 3 340.512 1.326 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000876107365 597092790 /nfs/dbraw/zinc/09/27/90/597092790.db2.gz BRXNJROYUSWGTF-CSLYMUCUSA-N 1 3 340.512 1.394 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@@H](C)C1 ZINC000873218430 597231598 /nfs/dbraw/zinc/23/15/98/597231598.db2.gz GPQMBFADXJLTDY-KBXCAEBGSA-N 1 3 328.464 1.546 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@@H]2CCC[C@@H]21 ZINC000873245340 597237853 /nfs/dbraw/zinc/23/78/53/597237853.db2.gz ZFHLTVZCUYETCF-FHWLQOOXSA-N 1 3 340.475 1.688 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250140 597240535 /nfs/dbraw/zinc/24/05/35/597240535.db2.gz PHWFZVSUCMGJQY-CJNGLKHVSA-N 1 3 330.432 1.216 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876728941 597310162 /nfs/dbraw/zinc/31/01/62/597310162.db2.gz ZYUYLBIMNKJZAM-KGLIPLIRSA-N 1 3 329.485 1.412 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876768475 597331734 /nfs/dbraw/zinc/33/17/34/597331734.db2.gz WBIZVDNMUMGMKD-CIRFHOKZSA-N 1 3 332.492 1.148 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)CN(C)C ZINC000876768475 597331737 /nfs/dbraw/zinc/33/17/37/597331737.db2.gz WBIZVDNMUMGMKD-CIRFHOKZSA-N 1 3 332.492 1.148 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876876328 597365662 /nfs/dbraw/zinc/36/56/62/597365662.db2.gz NWQZRMKSAKBDND-BLLLJJGKSA-N 1 3 343.393 1.803 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000876960972 597397534 /nfs/dbraw/zinc/39/75/34/597397534.db2.gz BRFHUKURIHCFKB-DLBZAZTESA-N 1 3 330.476 1.783 20 0 EDADHO COCCN(Cc1cnc2c(cnn2C)c1)CC1CC[NH+](C)CC1 ZINC000877664864 597545936 /nfs/dbraw/zinc/54/59/36/597545936.db2.gz ZLUZKDVBEJGXBA-UHFFFAOYSA-N 1 3 331.464 1.759 20 0 EDADHO Cn1nc2c(c1C[NH2+]CCN1CCN(C)C(C)(C)C1)CSCC2 ZINC000883111357 597653120 /nfs/dbraw/zinc/65/31/20/597653120.db2.gz BAMVRCBLAMBQES-UHFFFAOYSA-N 1 3 337.537 1.325 20 0 EDADHO O=C(NC[C@H]1CCCN(CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424061 597742016 /nfs/dbraw/zinc/74/20/16/597742016.db2.gz DRQKQPJJBFGLFQ-CHWSQXEVSA-N 1 3 337.386 1.493 20 0 EDADHO C[NH+](C)CCn1c2cc(NC(=O)[C@H](N)CC3CC3)ccc2oc1=O ZINC000884206354 598028617 /nfs/dbraw/zinc/02/86/17/598028617.db2.gz SKDPQFXBDNTNLL-CYBMUJFWSA-N 1 3 332.404 1.222 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000916658697 696713447 /nfs/dbraw/zinc/71/34/47/696713447.db2.gz VJOCRMVWJTWSGQ-NEWSRXKRSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000916658697 696713449 /nfs/dbraw/zinc/71/34/49/696713449.db2.gz VJOCRMVWJTWSGQ-NEWSRXKRSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H](NS(=O)(=O)C[C@@]12CCN(C1)CCC2)C(C)(C)C[NH+](C)C ZINC000914237093 695295714 /nfs/dbraw/zinc/29/57/14/695295714.db2.gz MYAMTCCVVIDVIC-ZBFHGGJFSA-N 1 3 331.526 1.368 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CCC2CCOCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015389307 695385119 /nfs/dbraw/zinc/38/51/19/695385119.db2.gz YJEVBBIKDLMJTP-MOPGFXCFSA-N 1 3 349.519 1.868 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CCC2CCOCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015389307 695385123 /nfs/dbraw/zinc/38/51/23/695385123.db2.gz YJEVBBIKDLMJTP-MOPGFXCFSA-N 1 3 349.519 1.868 20 0 EDADHO Cn1nccc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000992829032 695388810 /nfs/dbraw/zinc/38/88/10/695388810.db2.gz CGBFEBHYFJJFLG-KBRIMQKVSA-N 1 3 342.447 1.103 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992833503 695394102 /nfs/dbraw/zinc/39/41/02/695394102.db2.gz LPKPHDCWUBUPMM-BMGDILEWSA-N 1 3 339.443 1.764 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916360506 696655123 /nfs/dbraw/zinc/65/51/23/696655123.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000916360506 696655125 /nfs/dbraw/zinc/65/51/25/696655125.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675013 697484359 /nfs/dbraw/zinc/48/43/59/697484359.db2.gz RREUAFFSLCUYES-IBGZPJMESA-N 1 3 327.472 1.885 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137051 699223466 /nfs/dbraw/zinc/22/34/66/699223466.db2.gz DPNRXKIYBYFLSL-NVXWUHKLSA-N 1 3 347.507 1.131 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000940148921 700281445 /nfs/dbraw/zinc/28/14/45/700281445.db2.gz GHDXUPQAOWOAOY-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)n(C)n2)CC1)N(C)C ZINC000940176576 700309218 /nfs/dbraw/zinc/30/92/18/700309218.db2.gz LSJFLMSGMKFITD-MRXNPFEDSA-N 1 3 335.496 1.539 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)c2)CC1)N(C)C ZINC000940177075 700310135 /nfs/dbraw/zinc/31/01/35/700310135.db2.gz VYKUGGYXBXXMBB-MRXNPFEDSA-N 1 3 348.491 1.901 20 0 EDADHO CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000940328916 700507308 /nfs/dbraw/zinc/50/73/08/700507308.db2.gz NJAHESDSSILTGK-OAHLLOKOSA-N 1 3 348.495 1.253 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940329702 700509669 /nfs/dbraw/zinc/50/96/69/700509669.db2.gz XOHREODQLOYICJ-INIZCTEOSA-N 1 3 330.476 1.894 20 0 EDADHO CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000940329685 700509798 /nfs/dbraw/zinc/50/97/98/700509798.db2.gz WXOUHNNIVHRHPD-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](CNCc3nccs3)C2)CC1 ZINC000995082796 700727107 /nfs/dbraw/zinc/72/71/07/700727107.db2.gz ZSLNBSXFTLASLN-ZFWWWQNUSA-N 1 3 336.505 1.859 20 0 EDADHO O=C(N[C@H]1CC[C@@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170183 701676271 /nfs/dbraw/zinc/67/62/71/701676271.db2.gz WJZDWPAZRDUCQO-OLZOCXBDSA-N 1 3 335.477 1.008 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCC1 ZINC000940945251 701010790 /nfs/dbraw/zinc/01/07/90/701010790.db2.gz ZJWPFSQGWJWWSN-HNNXBMFYSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCC1 ZINC000940945251 701010792 /nfs/dbraw/zinc/01/07/92/701010792.db2.gz ZJWPFSQGWJWWSN-HNNXBMFYSA-N 1 3 325.497 1.460 20 0 EDADHO CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518374 706602268 /nfs/dbraw/zinc/60/22/68/706602268.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 1 3 337.508 1.676 20 0 EDADHO CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518374 706602270 /nfs/dbraw/zinc/60/22/70/706602270.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 1 3 337.508 1.676 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941455802 701542664 /nfs/dbraw/zinc/54/26/64/701542664.db2.gz FXPSDDYBPUUBBX-MJGOQNOKSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941455802 701542665 /nfs/dbraw/zinc/54/26/65/701542665.db2.gz FXPSDDYBPUUBBX-MJGOQNOKSA-N 1 3 348.535 1.632 20 0 EDADHO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001032204657 701990350 /nfs/dbraw/zinc/99/03/50/701990350.db2.gz BINKYQPCQGCNAW-GOSISDBHSA-N 1 3 345.487 1.979 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031978947 702112741 /nfs/dbraw/zinc/11/27/41/702112741.db2.gz QABYIQSOSJXGGY-HNNXBMFYSA-N 1 3 333.476 1.487 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001032207131 702174954 /nfs/dbraw/zinc/17/49/54/702174954.db2.gz YEVQKECWSJVVHH-INIZCTEOSA-N 1 3 345.487 1.836 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995893693 702195266 /nfs/dbraw/zinc/19/52/66/702195266.db2.gz IRGXJSWRIGZPIK-IAGOWNOFSA-N 1 3 347.507 1.395 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1)C1CC1 ZINC000995899458 702204854 /nfs/dbraw/zinc/20/48/54/702204854.db2.gz WGBRZQZVBQCFPE-JKSUJKDBSA-N 1 3 333.480 1.087 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917582 702235824 /nfs/dbraw/zinc/23/58/24/702235824.db2.gz LJBCLSUUNPBFLC-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC000999210110 706662998 /nfs/dbraw/zinc/66/29/98/706662998.db2.gz TZHACWCQHUSBDM-OKZBNKHCSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000999210110 706663001 /nfs/dbraw/zinc/66/30/01/706663001.db2.gz TZHACWCQHUSBDM-OKZBNKHCSA-N 1 3 345.491 1.596 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)CC1 ZINC000996223228 702633225 /nfs/dbraw/zinc/63/32/25/702633225.db2.gz PKCDAPIHITUOFB-HNNXBMFYSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301460 702693447 /nfs/dbraw/zinc/69/34/47/702693447.db2.gz TWIDTFDLBQUVJN-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996560600 702879150 /nfs/dbraw/zinc/87/91/50/702879150.db2.gz KSCLURDULGWRCD-QGZVFWFLSA-N 1 3 346.475 1.714 20 0 EDADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000996618349 702924932 /nfs/dbraw/zinc/92/49/32/702924932.db2.gz FLFWVMOXAMRKJI-QZTJIDSGSA-N 1 3 349.519 1.866 20 0 EDADHO Cc1nnsc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996663957 702962031 /nfs/dbraw/zinc/96/20/31/702962031.db2.gz BOFOMVVDARUMQA-UHFFFAOYSA-N 1 3 337.493 1.411 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996691133 702988616 /nfs/dbraw/zinc/98/86/16/702988616.db2.gz SHNGGYJHASOJDU-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996691133 702988619 /nfs/dbraw/zinc/98/86/19/702988619.db2.gz SHNGGYJHASOJDU-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723487 703018343 /nfs/dbraw/zinc/01/83/43/703018343.db2.gz NIAPONSAGQFNBF-GOSISDBHSA-N 1 3 345.491 1.394 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026392 703053623 /nfs/dbraw/zinc/05/36/23/703053623.db2.gz CUTIMHPQBROWLJ-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1cnccn1 ZINC000996769426 703060528 /nfs/dbraw/zinc/06/05/28/703060528.db2.gz FXIQDFUMALARSL-OAHLLOKOSA-N 1 3 343.475 1.747 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867078 703139879 /nfs/dbraw/zinc/13/98/79/703139879.db2.gz BLKZRVKEGKETRH-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)N(C)C ZINC000996978962 703234077 /nfs/dbraw/zinc/23/40/77/703234077.db2.gz PUDLFEUMVVDJAL-QGZVFWFLSA-N 1 3 336.455 1.888 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000996998422 703255672 /nfs/dbraw/zinc/25/56/72/703255672.db2.gz JDOLKYOZLDMEMT-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000997002638 703259173 /nfs/dbraw/zinc/25/91/73/703259173.db2.gz XQPUCHCXGZAINS-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC000997009144 703269729 /nfs/dbraw/zinc/26/97/29/703269729.db2.gz YHGKIOZHKSNDBO-MRXNPFEDSA-N 1 3 347.507 1.368 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC1 ZINC001032705796 706756280 /nfs/dbraw/zinc/75/62/80/706756280.db2.gz KUQQUFNVJGYWPB-ROUUACIJSA-N 1 3 349.519 1.963 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(CCCO)C1 ZINC001033081477 704136812 /nfs/dbraw/zinc/13/68/12/704136812.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(CCCO)C1 ZINC001033081477 704136814 /nfs/dbraw/zinc/13/68/14/704136814.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000997829645 704748155 /nfs/dbraw/zinc/74/81/55/704748155.db2.gz BDOPDFOAFBLMOL-SJLPKXTDSA-N 1 3 337.508 1.581 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997828179 704749097 /nfs/dbraw/zinc/74/90/97/704749097.db2.gz GJQXCZXVWRBBSM-WMZOPIPTSA-N 1 3 339.524 1.850 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CC1 ZINC000997830695 704750919 /nfs/dbraw/zinc/75/09/19/704750919.db2.gz MGBYFSRAOFXYET-MRXNPFEDSA-N 1 3 336.505 1.812 20 0 EDADHO Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997866902 704772133 /nfs/dbraw/zinc/77/21/33/704772133.db2.gz WKRNOOFQXLWXOT-INIZCTEOSA-N 1 3 333.480 1.233 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092151 705061820 /nfs/dbraw/zinc/06/18/20/705061820.db2.gz PPZGVUVEDXMIPF-CRAIPNDOSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945092151 705061825 /nfs/dbraw/zinc/06/18/25/705061825.db2.gz PPZGVUVEDXMIPF-CRAIPNDOSA-N 1 3 333.476 1.835 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNCc3nccn3C)CC2)C1 ZINC000998080940 705300702 /nfs/dbraw/zinc/30/07/02/705300702.db2.gz GDMZOGDKWXKMCA-OAHLLOKOSA-N 1 3 333.480 1.090 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3nccn3C)CC2)C1 ZINC000998080940 705300706 /nfs/dbraw/zinc/30/07/06/705300706.db2.gz GDMZOGDKWXKMCA-OAHLLOKOSA-N 1 3 333.480 1.090 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998083011 705310747 /nfs/dbraw/zinc/31/07/47/705310747.db2.gz SOYRFKCTIRKNLL-AWEZNQCLSA-N 1 3 334.464 1.796 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCOCC2)CC1 ZINC001032603292 705427353 /nfs/dbraw/zinc/42/73/53/705427353.db2.gz VXJFKJCRPNEWGO-OALUTQOASA-N 1 3 349.519 1.820 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998265350 705632471 /nfs/dbraw/zinc/63/24/71/705632471.db2.gz LRDNJALCHVNGES-MRXNPFEDSA-N 1 3 331.464 1.065 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998265350 705632474 /nfs/dbraw/zinc/63/24/74/705632474.db2.gz LRDNJALCHVNGES-MRXNPFEDSA-N 1 3 331.464 1.065 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000998286884 705676563 /nfs/dbraw/zinc/67/65/63/705676563.db2.gz MAYKMSMEKIUYIK-UHFFFAOYSA-N 1 3 347.507 1.624 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cncc(F)c3)C2)CC[N@@H+]1C ZINC000998798108 706245163 /nfs/dbraw/zinc/24/51/63/706245163.db2.gz YCXVPTFTCFEAGD-BOSFTKNMSA-N 1 3 334.439 1.640 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3cncc(F)c3)C2)CC[N@H+]1C ZINC000998798108 706245164 /nfs/dbraw/zinc/24/51/64/706245164.db2.gz YCXVPTFTCFEAGD-BOSFTKNMSA-N 1 3 334.439 1.640 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)ncn1 ZINC000999051861 706472668 /nfs/dbraw/zinc/47/26/68/706472668.db2.gz UGQRWOUCKXZGQP-UHFFFAOYSA-N 1 3 343.475 1.492 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)C1 ZINC000999349757 706861870 /nfs/dbraw/zinc/86/18/70/706861870.db2.gz UNERXTHZQWPKDK-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3ccnn3C)C2)C1 ZINC000999349757 706861873 /nfs/dbraw/zinc/86/18/73/706861873.db2.gz UNERXTHZQWPKDK-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1 ZINC000999403598 706912364 /nfs/dbraw/zinc/91/23/64/706912364.db2.gz RPKKICKDVYFCFO-UHFFFAOYSA-N 1 3 347.507 1.539 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999507867 707005275 /nfs/dbraw/zinc/00/52/75/707005275.db2.gz CLWAYKQKXVRZBL-UHFFFAOYSA-N 1 3 334.464 1.794 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244556 /nfs/dbraw/zinc/24/45/56/707244556.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244563 /nfs/dbraw/zinc/24/45/63/707244563.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 1 3 337.508 1.676 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1)N(C)C ZINC000946784861 707315485 /nfs/dbraw/zinc/31/54/85/707315485.db2.gz XUPVVXHEMQSKQX-JZXOWHBKSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccnn3C)C[C@H]2CC1)N(C)C ZINC000946784861 707315489 /nfs/dbraw/zinc/31/54/89/707315489.db2.gz XUPVVXHEMQSKQX-JZXOWHBKSA-N 1 3 347.507 1.431 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800943 707454701 /nfs/dbraw/zinc/45/47/01/707454701.db2.gz RNXQLSXCLBULDI-YESZJQIVSA-N 1 3 346.475 1.549 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946800943 707454703 /nfs/dbraw/zinc/45/47/03/707454703.db2.gz RNXQLSXCLBULDI-YESZJQIVSA-N 1 3 346.475 1.549 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]C[C@H]3CCOC3)C2)c1 ZINC000999870597 707512619 /nfs/dbraw/zinc/51/26/19/707512619.db2.gz NPZLSHFKCPHEQR-IPJUCJBFSA-N 1 3 345.487 1.977 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999876237 707523356 /nfs/dbraw/zinc/52/33/56/707523356.db2.gz IYUZWPSCKIYCBK-DQPZFDDXSA-N 1 3 348.495 1.251 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000999876237 707523358 /nfs/dbraw/zinc/52/33/58/707523358.db2.gz IYUZWPSCKIYCBK-DQPZFDDXSA-N 1 3 348.495 1.251 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033357895 707677319 /nfs/dbraw/zinc/67/73/19/707677319.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001033357895 707677322 /nfs/dbraw/zinc/67/73/22/707677322.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033358952 707683558 /nfs/dbraw/zinc/68/35/58/707683558.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCc3cnn(C)c3)C2)CC[N@H+]1C ZINC001033358952 707683563 /nfs/dbraw/zinc/68/35/63/707683563.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942845 707689779 /nfs/dbraw/zinc/68/97/79/707689779.db2.gz BGHUHDFXAOPGCA-RHSMWYFYSA-N 1 3 334.464 1.738 20 0 EDADHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546853 708176023 /nfs/dbraw/zinc/17/60/23/708176023.db2.gz GZLMRBIMTALYNS-DOTOQJQBSA-N 1 3 325.497 1.674 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580719 708261540 /nfs/dbraw/zinc/26/15/40/708261540.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 1 3 345.487 1.553 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580719 708261544 /nfs/dbraw/zinc/26/15/44/708261544.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 1 3 345.487 1.553 20 0 EDADHO COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663472 708443658 /nfs/dbraw/zinc/44/36/58/708443658.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 1 3 345.487 1.988 20 0 EDADHO COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663472 708443661 /nfs/dbraw/zinc/44/36/61/708443661.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 1 3 345.487 1.988 20 0 EDADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(CCOC)C1 ZINC001034004275 709243603 /nfs/dbraw/zinc/24/36/03/709243603.db2.gz KZOZXWJIJBPHHF-KRWDZBQOSA-N 1 3 325.497 1.676 20 0 EDADHO CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCN(CCOC)C1 ZINC001034044875 709296825 /nfs/dbraw/zinc/29/68/25/709296825.db2.gz FLPIYEWKIHBYRR-GOSISDBHSA-N 1 3 333.476 1.931 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034378285 709899500 /nfs/dbraw/zinc/89/95/00/709899500.db2.gz QWSAHJQPRJNSMT-GOSISDBHSA-N 1 3 347.507 1.275 20 0 EDADHO C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)N1CCCCCC1 ZINC001034439639 710015982 /nfs/dbraw/zinc/01/59/82/710015982.db2.gz WJCMYLSJNNGFQG-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)N1CCCCCC1 ZINC001034439639 710015987 /nfs/dbraw/zinc/01/59/87/710015987.db2.gz WJCMYLSJNNGFQG-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001034658774 710587598 /nfs/dbraw/zinc/58/75/98/710587598.db2.gz FSHBCJJNSJEIRK-BRWVUGGUSA-N 1 3 347.507 1.812 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccn2C)CC1 ZINC001034658774 710587600 /nfs/dbraw/zinc/58/76/00/710587600.db2.gz FSHBCJJNSJEIRK-BRWVUGGUSA-N 1 3 347.507 1.812 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003985179 711188336 /nfs/dbraw/zinc/18/83/36/711188336.db2.gz LAFHNKFPEANZOF-UHFFFAOYSA-N 1 3 345.491 1.176 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001034958181 711431032 /nfs/dbraw/zinc/43/10/32/711431032.db2.gz CSBQNSPBUDDAKA-JKSUJKDBSA-N 1 3 348.495 1.159 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1cnnn1C ZINC001034958181 711431035 /nfs/dbraw/zinc/43/10/35/711431035.db2.gz CSBQNSPBUDDAKA-JKSUJKDBSA-N 1 3 348.495 1.159 20 0 EDADHO Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034959514 711434453 /nfs/dbraw/zinc/43/44/53/711434453.db2.gz ZUBBQZACCXXMAU-WBVHZDCISA-N 1 3 334.464 1.712 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCOC)CC1)N(C)C ZINC001004476092 711855839 /nfs/dbraw/zinc/85/58/39/711855839.db2.gz XFOWGWWNHRQUKC-SJORKVTESA-N 1 3 325.497 1.676 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCOC)CC1)N(C)C ZINC001004476092 711855841 /nfs/dbraw/zinc/85/58/41/711855841.db2.gz XFOWGWWNHRQUKC-SJORKVTESA-N 1 3 325.497 1.676 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546063 711956987 /nfs/dbraw/zinc/95/69/87/711956987.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546063 711956990 /nfs/dbraw/zinc/95/69/90/711956990.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563299 282179433 /nfs/dbraw/zinc/17/94/33/282179433.db2.gz XVQWSTTXDAYPNR-JKSUJKDBSA-N 1 3 341.459 1.389 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333505 282229505 /nfs/dbraw/zinc/22/95/05/282229505.db2.gz YPWQVLWJXSQTAY-ZMSDIMECSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333505 282229506 /nfs/dbraw/zinc/22/95/06/282229506.db2.gz YPWQVLWJXSQTAY-ZMSDIMECSA-N 1 3 340.537 1.549 20 0 EDADHO CC[C@H](CO)N1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093739774 539523384 /nfs/dbraw/zinc/52/33/84/539523384.db2.gz CISCPELJTUVIAT-GOSISDBHSA-N 1 3 335.492 1.516 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000561231299 306284924 /nfs/dbraw/zinc/28/49/24/306284924.db2.gz ZWLSTPOSSCKGPQ-IEBWSBKVSA-N 1 3 330.476 1.986 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000561231299 306284925 /nfs/dbraw/zinc/28/49/25/306284925.db2.gz ZWLSTPOSSCKGPQ-IEBWSBKVSA-N 1 3 330.476 1.986 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000412850984 304041907 /nfs/dbraw/zinc/04/19/07/304041907.db2.gz VHZYNHUOTIOUDW-SFHVURJKSA-N 1 3 344.503 1.799 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000412850984 304041908 /nfs/dbraw/zinc/04/19/08/304041908.db2.gz VHZYNHUOTIOUDW-SFHVURJKSA-N 1 3 344.503 1.799 20 0 EDADHO [NH3+]CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000563340056 306328367 /nfs/dbraw/zinc/32/83/67/306328367.db2.gz ZDFGMAYSLDWXIB-SFHVURJKSA-N 1 3 330.476 1.881 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000076941467 138250315 /nfs/dbraw/zinc/25/03/15/138250315.db2.gz WVZINDRTPIXOBE-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO Cn1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426569 138288832 /nfs/dbraw/zinc/28/88/32/138288832.db2.gz RIQYSLJCOGKTNO-UHFFFAOYSA-N 1 3 334.508 1.941 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000175426279 138695375 /nfs/dbraw/zinc/69/53/75/138695375.db2.gz PQPOFXPDICJSOS-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000564564861 306360813 /nfs/dbraw/zinc/36/08/13/306360813.db2.gz PBVBXQYARADYMJ-UHFFFAOYSA-N 1 3 339.480 1.158 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644800 306361764 /nfs/dbraw/zinc/36/17/64/306361764.db2.gz LUPHSTQMIUDXJI-CVEARBPZSA-N 1 3 326.510 1.209 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000173941151 237269927 /nfs/dbraw/zinc/26/99/27/237269927.db2.gz CUZIDLODEKNBMJ-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO CCn1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414195120 304105309 /nfs/dbraw/zinc/10/53/09/304105309.db2.gz NQSRLCSAVKNQAF-MRXNPFEDSA-N 1 3 335.496 1.350 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414694729 304128612 /nfs/dbraw/zinc/12/86/12/304128612.db2.gz DQYUXWFYXACKFU-CQSZACIVSA-N 1 3 344.459 1.261 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCN(C(C)C)CC2)c1 ZINC000414807081 304143061 /nfs/dbraw/zinc/14/30/61/304143061.db2.gz QRWWFXLESOUIAW-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CNCCCO2)c1 ZINC000415049282 304154836 /nfs/dbraw/zinc/15/48/36/304154836.db2.gz XSKGEENYJNHPCI-CZUORRHYSA-N 1 3 349.431 1.158 20 0 EDADHO CCOc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)ccc1OC ZINC000415076746 304157780 /nfs/dbraw/zinc/15/77/80/304157780.db2.gz BCEVAODDUUDBTJ-HNNXBMFYSA-N 1 3 335.448 1.381 20 0 EDADHO [NH3+]CCc1nc(C(=O)NCCCN2CCc3ccccc3C2)cs1 ZINC000194828740 139000799 /nfs/dbraw/zinc/00/07/99/139000799.db2.gz GVXFZYNEKMTJJE-UHFFFAOYSA-N 1 3 344.484 1.823 20 0 EDADHO C[C@H](CNC(=O)NCc1ccc(OCCN(C)C)cc1)[N@H+](C)C1CC1 ZINC000105113765 204135079 /nfs/dbraw/zinc/13/50/79/204135079.db2.gz LKQSWOXWQDKZKD-OAHLLOKOSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](CNC(=O)NCc1ccc(OCCN(C)C)cc1)[N@@H+](C)C1CC1 ZINC000105113765 204135081 /nfs/dbraw/zinc/13/50/81/204135081.db2.gz LKQSWOXWQDKZKD-OAHLLOKOSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415126161 304162228 /nfs/dbraw/zinc/16/22/28/304162228.db2.gz UADUFSCWFSYYPS-AWEZNQCLSA-N 1 3 344.459 1.609 20 0 EDADHO [NH3+]CC1(O)CCN(Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000415138095 304163367 /nfs/dbraw/zinc/16/33/67/304163367.db2.gz GOAGAPZGOXAKMX-UHFFFAOYSA-N 1 3 327.428 1.946 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000237127364 139041462 /nfs/dbraw/zinc/04/14/62/139041462.db2.gz YSCQEHGJAAJBNM-INIZCTEOSA-N 1 3 346.475 1.919 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237214725 139044691 /nfs/dbraw/zinc/04/46/91/139044691.db2.gz WKOVZSKOXSONIP-UHFFFAOYSA-N 1 3 330.476 1.050 20 0 EDADHO [NH3+]CC1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCCC1 ZINC000237774296 139060007 /nfs/dbraw/zinc/06/00/07/139060007.db2.gz HCTUYQQVFNCPHQ-UHFFFAOYSA-N 1 3 330.476 1.586 20 0 EDADHO N[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237847155 139061767 /nfs/dbraw/zinc/06/17/67/139061767.db2.gz GXXPRWQKKBODCD-CRAIPNDOSA-N 1 3 331.460 1.694 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819003 220198898 /nfs/dbraw/zinc/19/88/98/220198898.db2.gz BIEWNOXUFNMPKQ-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843318 220204626 /nfs/dbraw/zinc/20/46/26/220204626.db2.gz WOKGLBHEWRMREQ-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2CCOC)CC1 ZINC000111847485 220207719 /nfs/dbraw/zinc/20/77/19/220207719.db2.gz PXOADQMPBMWSIX-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO O=C(C[C@H]1CSCCN1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000238085299 139068666 /nfs/dbraw/zinc/06/86/66/139068666.db2.gz MPAHRMZGOWVJNA-HNNXBMFYSA-N 1 3 341.521 1.233 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115718 /nfs/dbraw/zinc/11/57/18/139115718.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246631199 139115719 /nfs/dbraw/zinc/11/57/19/139115719.db2.gz HRFFLKBQLXCQLQ-RYQLBKOJSA-N 1 3 336.476 1.987 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248766438 139174707 /nfs/dbraw/zinc/17/47/07/139174707.db2.gz GZHUXYDMIPJBBO-SJLPKXTDSA-N 1 3 348.491 1.384 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248766438 139174708 /nfs/dbraw/zinc/17/47/08/139174708.db2.gz GZHUXYDMIPJBBO-SJLPKXTDSA-N 1 3 348.491 1.384 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@@H](C)C1 ZINC000249460134 139193627 /nfs/dbraw/zinc/19/36/27/139193627.db2.gz QNAJCTQPGGAMRI-ULQDDVLXSA-N 1 3 327.513 1.874 20 0 EDADHO C[NH2+][C@H](C)Cc1noc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000261733098 139221612 /nfs/dbraw/zinc/22/16/12/139221612.db2.gz KKFFYGIBHYMRIE-CQSZACIVSA-N 1 3 329.448 1.634 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764122 139223976 /nfs/dbraw/zinc/22/39/76/139223976.db2.gz LXUHTKNLFJPLQV-ATZDWAIDSA-N 1 3 345.487 1.910 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764122 139223977 /nfs/dbraw/zinc/22/39/77/139223977.db2.gz LXUHTKNLFJPLQV-ATZDWAIDSA-N 1 3 345.487 1.910 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261825995 139229458 /nfs/dbraw/zinc/22/94/58/139229458.db2.gz MUWOYDANEQBZIS-ZACQAIPSSA-N 1 3 337.508 1.724 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415503176 304224790 /nfs/dbraw/zinc/22/47/90/304224790.db2.gz XUGKJBGJYBVWSJ-UHFFFAOYSA-N 1 3 334.464 1.629 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCNc1ccncc1 ZINC000356235220 296310621 /nfs/dbraw/zinc/31/06/21/296310621.db2.gz LGNHPQPMFKJRSK-MRXNPFEDSA-N 1 3 333.480 1.869 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCNc1ccncc1 ZINC000356235220 296310624 /nfs/dbraw/zinc/31/06/24/296310624.db2.gz LGNHPQPMFKJRSK-MRXNPFEDSA-N 1 3 333.480 1.869 20 0 EDADHO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069735 139248360 /nfs/dbraw/zinc/24/83/60/139248360.db2.gz BZALGKXUONGOIW-SFHVURJKSA-N 1 3 325.460 1.567 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735760 207050579 /nfs/dbraw/zinc/05/05/79/207050579.db2.gz LJOPAIOVDBIDHX-HZPDHXFCSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735760 207050583 /nfs/dbraw/zinc/05/05/83/207050583.db2.gz LJOPAIOVDBIDHX-HZPDHXFCSA-N 1 3 339.528 1.042 20 0 EDADHO CC[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N(CC)CC ZINC000262185208 139258204 /nfs/dbraw/zinc/25/82/04/139258204.db2.gz ZJEWFAVDAKCMBU-STQMWFEESA-N 1 3 338.418 1.059 20 0 EDADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415977876 251041731 /nfs/dbraw/zinc/04/17/31/251041731.db2.gz ORCLVRFFQXSFMS-MRXNPFEDSA-N 1 3 347.463 1.210 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829700 251112858 /nfs/dbraw/zinc/11/28/58/251112858.db2.gz FXGRQESWTAKKCK-ZWKOTPCHSA-N 1 3 332.492 1.930 20 0 EDADHO CC[NH2+]CCNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000417000178 251125358 /nfs/dbraw/zinc/12/53/58/251125358.db2.gz YHRFIOGZLBHQFN-UHFFFAOYSA-N 1 3 347.507 1.233 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000417591382 251199477 /nfs/dbraw/zinc/19/94/77/251199477.db2.gz IIRUVFPDTATIPS-MRXNPFEDSA-N 1 3 332.448 1.322 20 0 EDADHO C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000262417679 139277734 /nfs/dbraw/zinc/27/77/34/139277734.db2.gz ZUGYUMKVYRWZHQ-HZPDHXFCSA-N 1 3 333.480 1.341 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000417753046 251256391 /nfs/dbraw/zinc/25/63/91/251256391.db2.gz NVIGWSJWKRWQIB-HOTGVXAUSA-N 1 3 347.507 1.389 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000417828778 251288907 /nfs/dbraw/zinc/28/89/07/251288907.db2.gz PGUHYWYXJFLAEE-QGZVFWFLSA-N 1 3 340.537 1.599 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCO1 ZINC000418117697 251331393 /nfs/dbraw/zinc/33/13/93/251331393.db2.gz SBLVVKRRBFPMRX-CVEARBPZSA-N 1 3 326.485 1.258 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)CN1C1CC1 ZINC000417858332 251300844 /nfs/dbraw/zinc/30/08/44/251300844.db2.gz PKKMZZZVKQCACU-NVXWUHKLSA-N 1 3 330.476 1.825 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262528164 139284409 /nfs/dbraw/zinc/28/44/09/139284409.db2.gz MFEQFHUAMJKXMU-CHWSQXEVSA-N 1 3 332.448 1.306 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418321213 251360168 /nfs/dbraw/zinc/36/01/68/251360168.db2.gz ANAJIMUXWPKLBP-GOSISDBHSA-N 1 3 345.491 1.689 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418713800 251392799 /nfs/dbraw/zinc/39/27/99/251392799.db2.gz YFNWTNUJJRXLLG-IAGOWNOFSA-N 1 3 347.507 1.181 20 0 EDADHO COCC1(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)CC[NH2+]CC1 ZINC000418638178 251382835 /nfs/dbraw/zinc/38/28/35/251382835.db2.gz LHUYLEASQDXMCZ-OAHLLOKOSA-N 1 3 326.485 1.127 20 0 EDADHO [NH3+]CCCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262639732 139292339 /nfs/dbraw/zinc/29/23/39/139292339.db2.gz JTRGIAVVSPXEAQ-UHFFFAOYSA-N 1 3 332.492 1.440 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262654214 139293408 /nfs/dbraw/zinc/29/34/08/139293408.db2.gz SXQWWVCMTKJOIE-QZTJIDSGSA-N 1 3 344.503 1.832 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897024 252015186 /nfs/dbraw/zinc/01/51/86/252015186.db2.gz BCZLUIBUBONONL-UNEWFSDZSA-N 1 3 347.459 1.289 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044100 252027411 /nfs/dbraw/zinc/02/74/11/252027411.db2.gz ATOCPWVCKZOQIX-RDJZCZTQSA-N 1 3 337.489 1.834 20 0 EDADHO COC[C@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000423322301 252046542 /nfs/dbraw/zinc/04/65/42/252046542.db2.gz GNBFJEYQQPDLBF-FQEVSTJZSA-N 1 3 345.487 1.436 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356714 252052265 /nfs/dbraw/zinc/05/22/65/252052265.db2.gz HFXXJCRDSGUBGK-AYBZRNKSSA-N 1 3 331.460 1.564 20 0 EDADHO C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)C1CNC1 ZINC000422909376 252019713 /nfs/dbraw/zinc/01/97/13/252019713.db2.gz FSWRTVASGSPCAA-INIZCTEOSA-N 1 3 330.476 1.313 20 0 EDADHO N[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000423791264 252075766 /nfs/dbraw/zinc/07/57/66/252075766.db2.gz HIFMVLILYNCEME-GOSISDBHSA-N 1 3 337.508 1.855 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150938 252145440 /nfs/dbraw/zinc/14/54/40/252145440.db2.gz ZYWCJFBGALZXDN-GJZGRUSLSA-N 1 3 334.468 1.197 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)C(C)(C)[C@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424227812 252170823 /nfs/dbraw/zinc/17/08/23/252170823.db2.gz RJJJAISTYHWQBS-GVDBMIGSSA-N 1 3 341.459 1.399 20 0 EDADHO COCCCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424160828 252149427 /nfs/dbraw/zinc/14/94/27/252149427.db2.gz VCBPJVPQHYSKFX-AWEZNQCLSA-N 1 3 349.479 1.107 20 0 EDADHO COC1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000424218209 252165801 /nfs/dbraw/zinc/16/58/01/252165801.db2.gz RLRHHQMSSDABQE-ZWKOTPCHSA-N 1 3 343.471 1.488 20 0 EDADHO COC(=O)CC1CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000424269254 252186220 /nfs/dbraw/zinc/18/62/20/252186220.db2.gz MEQHGOVYQFXLQI-UHFFFAOYSA-N 1 3 346.475 1.525 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424470111 252243126 /nfs/dbraw/zinc/24/31/26/252243126.db2.gz AUMPKTLDCAORAF-NZSAHSFTSA-N 1 3 342.487 1.902 20 0 EDADHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230661 139329765 /nfs/dbraw/zinc/32/97/65/139329765.db2.gz NICBEZFNCSIMFO-SJKOYZFVSA-N 1 3 341.858 1.613 20 0 EDADHO CCN1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)CC1 ZINC000348067759 285189639 /nfs/dbraw/zinc/18/96/39/285189639.db2.gz GEMOVYVFKQKKEF-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000487146934 255026838 /nfs/dbraw/zinc/02/68/38/255026838.db2.gz IPUCAHIDPRMGNP-IRXDYDNUSA-N 1 3 336.524 1.060 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000487146934 255026840 /nfs/dbraw/zinc/02/68/40/255026840.db2.gz IPUCAHIDPRMGNP-IRXDYDNUSA-N 1 3 336.524 1.060 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000487777541 255035163 /nfs/dbraw/zinc/03/51/63/255035163.db2.gz CZCOJQQPRJAFOE-KXBFYZLASA-N 1 3 345.487 1.974 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000487777541 255035165 /nfs/dbraw/zinc/03/51/65/255035165.db2.gz CZCOJQQPRJAFOE-KXBFYZLASA-N 1 3 345.487 1.974 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccoc1C(=O)OC ZINC000349065479 285250988 /nfs/dbraw/zinc/25/09/88/285250988.db2.gz ZXJXDOXEOGRGPD-MRXNPFEDSA-N 1 3 337.464 1.914 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccoc1C(=O)OC ZINC000349065479 285250989 /nfs/dbraw/zinc/25/09/89/285250989.db2.gz ZXJXDOXEOGRGPD-MRXNPFEDSA-N 1 3 337.464 1.914 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415799292 304273829 /nfs/dbraw/zinc/27/38/29/304273829.db2.gz CANWMWOUHHJBAE-INIZCTEOSA-N 1 3 346.475 1.378 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(CC3CCOCC3)CC2)c1 ZINC000415921552 304285517 /nfs/dbraw/zinc/28/55/17/304285517.db2.gz RQHISKBVSHQIDO-UHFFFAOYSA-N 1 3 346.475 1.982 20 0 EDADHO C[C@@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000571184063 306560338 /nfs/dbraw/zinc/56/03/38/306560338.db2.gz YRFNDXDWHBYLHP-CRAIPNDOSA-N 1 3 344.503 1.773 20 0 EDADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCN2CCCC[C@H]2C1 ZINC000333495931 141326651 /nfs/dbraw/zinc/32/66/51/141326651.db2.gz DWWAUSVJEKMVCX-ABHNRTSZSA-N 1 3 349.523 1.083 20 0 EDADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CCN2CCCC[C@H]2C1 ZINC000333495931 141326653 /nfs/dbraw/zinc/32/66/53/141326653.db2.gz DWWAUSVJEKMVCX-ABHNRTSZSA-N 1 3 349.523 1.083 20 0 EDADHO CN1CC[C@@H](C[N@H+](C)C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000416408613 304316404 /nfs/dbraw/zinc/31/64/04/304316404.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 1 3 347.459 1.195 20 0 EDADHO CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000416408613 304316406 /nfs/dbraw/zinc/31/64/06/304316406.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 1 3 347.459 1.195 20 0 EDADHO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000339576300 142081626 /nfs/dbraw/zinc/08/16/26/142081626.db2.gz ZMPOJDYNLIMUIW-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655895 142109231 /nfs/dbraw/zinc/10/92/31/142109231.db2.gz VGLMFEINZWPEON-OAHLLOKOSA-N 1 3 334.464 1.584 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655895 142109233 /nfs/dbraw/zinc/10/92/33/142109233.db2.gz VGLMFEINZWPEON-OAHLLOKOSA-N 1 3 334.464 1.584 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188151 142296746 /nfs/dbraw/zinc/29/67/46/142296746.db2.gz HEIWKSDKPZHLAN-SUMWQHHRSA-N 1 3 337.489 1.643 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340256108 142321716 /nfs/dbraw/zinc/32/17/16/142321716.db2.gz XKUXXDAFWVGQRA-INIZCTEOSA-N 1 3 341.544 1.288 20 0 EDADHO C[C@H](CN(C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000346185489 143176398 /nfs/dbraw/zinc/17/63/98/143176398.db2.gz DTRBHCVXNWMMQR-OKILXGFUSA-N 1 3 334.464 1.046 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)CN(C)C)c1 ZINC000346185489 143176399 /nfs/dbraw/zinc/17/63/99/143176399.db2.gz DTRBHCVXNWMMQR-OKILXGFUSA-N 1 3 334.464 1.046 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318339 /nfs/dbraw/zinc/31/83/39/143318339.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 1 3 331.504 1.943 20 0 EDADHO Cc1cc(C[NH2+]CCCCN2CCN(CCO)CC2)cc(C)c1O ZINC000348006472 143390481 /nfs/dbraw/zinc/39/04/81/143390481.db2.gz NGRZVHVCMRWFKE-UHFFFAOYSA-N 1 3 335.492 1.489 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000416972812 304358365 /nfs/dbraw/zinc/35/83/65/304358365.db2.gz HJQCJTACYRURHM-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000416974588 304358844 /nfs/dbraw/zinc/35/88/44/304358844.db2.gz XHWUZKBDTIIPSG-INIZCTEOSA-N 1 3 334.464 1.568 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000355082510 150108497 /nfs/dbraw/zinc/10/84/97/150108497.db2.gz MQWAFJWTQOLTFJ-RHSMWYFYSA-N 1 3 334.464 1.003 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417038034 304364594 /nfs/dbraw/zinc/36/45/94/304364594.db2.gz UHWNQLVJEVQEAU-RBUKOAKNSA-N 1 3 342.487 1.686 20 0 EDADHO COC[C@]1(CNC(=O)NCc2cccc(CN(C)C)c2)CCC[NH2+]1 ZINC000417064830 304368534 /nfs/dbraw/zinc/36/85/34/304368534.db2.gz KBUSXMACYAVISI-GOSISDBHSA-N 1 3 334.464 1.316 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC[NH+](C)CC1 ZINC000357856900 151174338 /nfs/dbraw/zinc/17/43/38/151174338.db2.gz CFAJMZWGNLMWPR-UONOGXRCSA-N 1 3 340.537 1.738 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000357970938 151215854 /nfs/dbraw/zinc/21/58/54/151215854.db2.gz DUCJDWLBABRADB-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000357970938 151215855 /nfs/dbraw/zinc/21/58/55/151215855.db2.gz DUCJDWLBABRADB-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCOCC1 ZINC000358042533 151244621 /nfs/dbraw/zinc/24/46/21/151244621.db2.gz VCUKJPABSBMZMQ-HNNXBMFYSA-N 1 3 333.476 1.883 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358505808 151398782 /nfs/dbraw/zinc/39/87/82/151398782.db2.gz SOKBCQYEFPUJFX-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358505808 151398784 /nfs/dbraw/zinc/39/87/84/151398784.db2.gz SOKBCQYEFPUJFX-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360413615 152028634 /nfs/dbraw/zinc/02/86/34/152028634.db2.gz MCUKPDXAUSANMB-HOCLYGCPSA-N 1 3 330.542 1.699 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164612 152324190 /nfs/dbraw/zinc/32/41/90/152324190.db2.gz RKEADWZAODFQFJ-QZTJIDSGSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164612 152324192 /nfs/dbraw/zinc/32/41/92/152324192.db2.gz RKEADWZAODFQFJ-QZTJIDSGSA-N 1 3 341.540 1.824 20 0 EDADHO O[C@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)CN1CCCCC1 ZINC000361285410 152353646 /nfs/dbraw/zinc/35/36/46/152353646.db2.gz DOJYDRUNCQAEFZ-OAHLLOKOSA-N 1 3 337.430 1.840 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417175598 304380381 /nfs/dbraw/zinc/38/03/81/304380381.db2.gz BFOVMLBBCORJCY-ROUUACIJSA-N 1 3 332.492 1.991 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363683799 153028441 /nfs/dbraw/zinc/02/84/41/153028441.db2.gz UFYZILINSCRPKE-YESZJQIVSA-N 1 3 336.480 1.119 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226277 304385967 /nfs/dbraw/zinc/38/59/67/304385967.db2.gz ZKMRBOCVQZLGNK-DZJNRPSUSA-N 1 3 328.460 1.683 20 0 EDADHO COC(=O)c1cc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)oc1C ZINC000368033659 154378747 /nfs/dbraw/zinc/37/87/47/154378747.db2.gz HJQGVKVKPBNQQK-MRXNPFEDSA-N 1 3 349.475 1.977 20 0 EDADHO COC(=O)c1cc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)oc1C ZINC000368033659 154378750 /nfs/dbraw/zinc/37/87/50/154378750.db2.gz HJQGVKVKPBNQQK-MRXNPFEDSA-N 1 3 349.475 1.977 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCCO1 ZINC000368067170 154394506 /nfs/dbraw/zinc/39/45/06/154394506.db2.gz VEPPVDNRPQGISU-WMZOPIPTSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CCCO1 ZINC000368067170 154394508 /nfs/dbraw/zinc/39/45/08/154394508.db2.gz VEPPVDNRPQGISU-WMZOPIPTSA-N 1 3 338.496 1.225 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369520743 155068643 /nfs/dbraw/zinc/06/86/43/155068643.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369520743 155068649 /nfs/dbraw/zinc/06/86/49/155068649.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245880909 292335331 /nfs/dbraw/zinc/33/53/31/292335331.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245880909 292335332 /nfs/dbraw/zinc/33/53/32/292335332.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000371812387 156115996 /nfs/dbraw/zinc/11/59/96/156115996.db2.gz GBOYWONDXKFMSK-ALOPSCKCSA-N 1 3 338.496 1.412 20 0 EDADHO COCCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000371812387 156115998 /nfs/dbraw/zinc/11/59/98/156115998.db2.gz GBOYWONDXKFMSK-ALOPSCKCSA-N 1 3 338.496 1.412 20 0 EDADHO CCN1CCO[C@@H](CN2CC[NH+](CCCCn3ccnc3C)CC2)C1 ZINC000372257300 156291184 /nfs/dbraw/zinc/29/11/84/156291184.db2.gz ZTDPXESZVUMGMI-LJQANCHMSA-N 1 3 349.523 1.310 20 0 EDADHO CC1CC[NH+](CC2CCN(Cc3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000372391689 156367063 /nfs/dbraw/zinc/36/70/63/156367063.db2.gz MWKXSWAOTNSRQE-UHFFFAOYSA-N 1 3 348.491 1.028 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000417524444 304403425 /nfs/dbraw/zinc/40/34/25/304403425.db2.gz JNTXZDXJZGCELM-KRWDZBQOSA-N 1 3 348.491 1.692 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333669 157250212 /nfs/dbraw/zinc/25/02/12/157250212.db2.gz VUMFXSXLVXNODO-GOSISDBHSA-N 1 3 336.524 1.204 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816344 157999043 /nfs/dbraw/zinc/99/90/43/157999043.db2.gz FURVPRMNTDUWKW-JKSUJKDBSA-N 1 3 329.448 1.065 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378187657 158103546 /nfs/dbraw/zinc/10/35/46/158103546.db2.gz OHVRZKQZSYPELR-CVEARBPZSA-N 1 3 333.480 1.568 20 0 EDADHO CN1CCN(C2(CNC(=O)[C@H]3CCC[NH2+]C3)CCCCCC2)CC1 ZINC000378201414 158107550 /nfs/dbraw/zinc/10/75/50/158107550.db2.gz JTTSNYUCSLWNKK-KRWDZBQOSA-N 1 3 336.524 1.443 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCN(C)CC1 ZINC000418205663 304463586 /nfs/dbraw/zinc/46/35/86/304463586.db2.gz ZLJJWBOJARNCAJ-KGLIPLIRSA-N 1 3 328.526 1.631 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000073774629 287264835 /nfs/dbraw/zinc/26/48/35/287264835.db2.gz FNTDSUJMLKBRBX-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344313 304483657 /nfs/dbraw/zinc/48/36/57/304483657.db2.gz KKTNCIXLGJYLBY-MRXNPFEDSA-N 1 3 333.480 1.545 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCCC1 ZINC000665762465 452339300 /nfs/dbraw/zinc/33/93/00/452339300.db2.gz FIXDSGJPSPCQBX-GOEBONIOSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](CO)C1CCCC1 ZINC000665762465 452339308 /nfs/dbraw/zinc/33/93/08/452339308.db2.gz FIXDSGJPSPCQBX-GOEBONIOSA-N 1 3 328.501 1.109 20 0 EDADHO CN(C)CCN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130576217 287495451 /nfs/dbraw/zinc/49/54/51/287495451.db2.gz WQYRMLCPXALGOI-MRXNPFEDSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655632571 452456266 /nfs/dbraw/zinc/45/62/66/452456266.db2.gz NNYLUSCLIGYTTA-GASCZTMLSA-N 1 3 325.478 1.367 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000274919047 268238288 /nfs/dbraw/zinc/23/82/88/268238288.db2.gz JBIUNGRTCZVIEQ-QAPCUYQASA-N 1 3 347.503 1.689 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275433424 268341934 /nfs/dbraw/zinc/34/19/34/268341934.db2.gz FQVITZFLYPYFJA-CQSZACIVSA-N 1 3 334.464 1.186 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275653631 273116373 /nfs/dbraw/zinc/11/63/73/273116373.db2.gz UQEXONFCSNPRQR-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N(C)Cc1ccccc1 ZINC000278949818 273275379 /nfs/dbraw/zinc/27/53/79/273275379.db2.gz GZHMSAMLPPWFOO-GOEBONIOSA-N 1 3 341.459 1.737 20 0 EDADHO C[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280902457 273412882 /nfs/dbraw/zinc/41/28/82/273412882.db2.gz FVBRHFGVILSDOM-CQSZACIVSA-N 1 3 340.489 1.855 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000344427243 276203630 /nfs/dbraw/zinc/20/36/30/276203630.db2.gz QYWVNOPFZWSHSQ-UHFFFAOYSA-N 1 3 344.503 1.962 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cncs1 ZINC000339655972 276370844 /nfs/dbraw/zinc/37/08/44/276370844.db2.gz YQBJKRYZZAHGNV-OAHLLOKOSA-N 1 3 338.521 1.950 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cncs1 ZINC000339655972 276370847 /nfs/dbraw/zinc/37/08/47/276370847.db2.gz YQBJKRYZZAHGNV-OAHLLOKOSA-N 1 3 338.521 1.950 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccn1 ZINC000080603654 276371024 /nfs/dbraw/zinc/37/10/24/276371024.db2.gz HQKYJSOULAMWDU-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccn1 ZINC000080603654 276371025 /nfs/dbraw/zinc/37/10/25/276371025.db2.gz HQKYJSOULAMWDU-QGZVFWFLSA-N 1 3 333.480 1.639 20 0 EDADHO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415114816 276711973 /nfs/dbraw/zinc/71/19/73/276711973.db2.gz UFIYSOKWPWOIQI-CABCVRRESA-N 1 3 343.475 1.904 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417024467 277297797 /nfs/dbraw/zinc/29/77/97/277297797.db2.gz QKFIBGSTUVHILF-AEFFLSMTSA-N 1 3 347.507 1.272 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422897753 277663869 /nfs/dbraw/zinc/66/38/69/277663869.db2.gz COPHPJXGWARLMB-IRXDYDNUSA-N 1 3 339.505 1.731 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CCN(C)CC1 ZINC000418199380 278124636 /nfs/dbraw/zinc/12/46/36/278124636.db2.gz NTRBDEOKANWZNT-UONOGXRCSA-N 1 3 328.526 1.583 20 0 EDADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC3CC[NH2+]CC3)CC2)C1 ZINC000178980190 278499995 /nfs/dbraw/zinc/49/99/95/278499995.db2.gz UHFJVHRGDOQNCL-SJLPKXTDSA-N 1 3 336.524 1.299 20 0 EDADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000287140881 288165050 /nfs/dbraw/zinc/16/50/50/288165050.db2.gz SERRCMSWCJMZKP-MRXNPFEDSA-N 1 3 342.491 1.944 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000353519774 281246595 /nfs/dbraw/zinc/24/65/95/281246595.db2.gz NTSKSDKJUUYBEM-LSDHHAIUSA-N 1 3 325.522 1.852 20 0 EDADHO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cccc(OCCN(C)C)c1 ZINC000289735959 288769925 /nfs/dbraw/zinc/76/99/25/288769925.db2.gz KITIRZJUWPRJNF-HNNXBMFYSA-N 1 3 347.463 1.452 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CCC(=O)OC)c1ccccc1 ZINC000290346182 288884012 /nfs/dbraw/zinc/88/40/12/288884012.db2.gz PUTWMWANJPCUHP-CVEARBPZSA-N 1 3 335.448 1.466 20 0 EDADHO CSC1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN(C)CC1 ZINC000416037560 295579425 /nfs/dbraw/zinc/57/94/25/295579425.db2.gz BXZFYMDISSWREQ-SNVBAGLBSA-N 1 3 342.431 1.393 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418803093 304532576 /nfs/dbraw/zinc/53/25/76/304532576.db2.gz YPBKFNBTDCGBOT-LXZKKBNFSA-N 1 3 334.464 1.725 20 0 EDADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419640596 447312856 /nfs/dbraw/zinc/31/28/56/447312856.db2.gz DFRIKARQRAZTEG-OAHLLOKOSA-N 1 3 348.491 1.300 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)N(C)C)cc1 ZINC000417309659 301715997 /nfs/dbraw/zinc/71/59/97/301715997.db2.gz JCBKABJSHTXJDG-HUUCEWRRSA-N 1 3 340.418 1.894 20 0 EDADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1CC(F)(F)F ZINC000294205274 303077121 /nfs/dbraw/zinc/07/71/21/303077121.db2.gz MCNOGIRLBOQXKI-CQSZACIVSA-N 1 3 342.365 1.803 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458364993 447327469 /nfs/dbraw/zinc/32/74/69/447327469.db2.gz KNPQAXSGLPWURX-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000414875739 447338918 /nfs/dbraw/zinc/33/89/18/447338918.db2.gz JKYWYUGYLHICSI-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000414875739 447338924 /nfs/dbraw/zinc/33/89/24/447338924.db2.gz JKYWYUGYLHICSI-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232756 303857936 /nfs/dbraw/zinc/85/79/36/303857936.db2.gz GYWSOYBVQCUHDV-CABCVRRESA-N 1 3 341.496 1.821 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)CN)CC2)cc1 ZINC000414879039 447341022 /nfs/dbraw/zinc/34/10/22/447341022.db2.gz OUDIIQOKBAAQFB-CQSZACIVSA-N 1 3 325.478 1.333 20 0 EDADHO C[C@H](NC[C@@H](O)COc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000422940029 304880715 /nfs/dbraw/zinc/88/07/15/304880715.db2.gz MXBVZFLCJSSFQT-YNEHKIRRSA-N 1 3 343.265 1.776 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422959446 304880945 /nfs/dbraw/zinc/88/09/45/304880945.db2.gz SABMZDAHCGYPAP-OLZOCXBDSA-N 1 3 325.840 1.789 20 0 EDADHO CN(CCN[C@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998351 304882718 /nfs/dbraw/zinc/88/27/18/304882718.db2.gz PYLVPQFGRVYCMJ-STQMWFEESA-N 1 3 331.507 1.476 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CCNCC2)cn1 ZINC000423235292 304890051 /nfs/dbraw/zinc/89/00/51/304890051.db2.gz QSMXYJRSHOBRNA-MAUKXSAKSA-N 1 3 325.460 1.862 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960318 305020962 /nfs/dbraw/zinc/02/09/62/305020962.db2.gz BHUXWUYOGQGZGS-AEFFLSMTSA-N 1 3 344.503 1.946 20 0 EDADHO CC(C)(C[NH3+])C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000430702550 305062964 /nfs/dbraw/zinc/06/29/64/305062964.db2.gz INPSTMANTPPTJJ-UHFFFAOYSA-N 1 3 332.448 1.307 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880202 305066825 /nfs/dbraw/zinc/06/68/25/305066825.db2.gz SEPNZNOZWFORBU-HZPDHXFCSA-N 1 3 344.459 1.465 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433148772 305101784 /nfs/dbraw/zinc/10/17/84/305101784.db2.gz BVXYEMNYYXNJIR-UHFFFAOYSA-N 1 3 332.492 1.568 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433328580 305105819 /nfs/dbraw/zinc/10/58/19/305105819.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433328580 305105820 /nfs/dbraw/zinc/10/58/20/305105820.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO COc1ccc(OCCCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436058913 305151608 /nfs/dbraw/zinc/15/16/08/305151608.db2.gz MDACIVUKNGDHLU-INIZCTEOSA-N 1 3 349.475 1.784 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000442135127 305225804 /nfs/dbraw/zinc/22/58/04/305225804.db2.gz TWDMXMUNJISYJP-BBRMVZONSA-N 1 3 332.448 1.286 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000442135127 305225805 /nfs/dbraw/zinc/22/58/05/305225805.db2.gz TWDMXMUNJISYJP-BBRMVZONSA-N 1 3 332.448 1.286 20 0 EDADHO C[C@@H](NC(=O)N1CCC(OCCN(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443676076 305240770 /nfs/dbraw/zinc/24/07/70/305240770.db2.gz UQPNFLNFDMFDTG-OAHLLOKOSA-N 1 3 342.528 1.715 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)COC1CCC([NH3+])CC1 ZINC000449074434 305305602 /nfs/dbraw/zinc/30/56/02/305305602.db2.gz BZJKFLSYESKSBF-UHFFFAOYSA-N 1 3 333.476 1.863 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@H](CCCO)C1)c1ccccc1 ZINC000452126841 305384248 /nfs/dbraw/zinc/38/42/48/305384248.db2.gz VAINENCEHFZXKY-FUHWJXTLSA-N 1 3 333.476 1.500 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414903033 447350412 /nfs/dbraw/zinc/35/04/12/447350412.db2.gz KXASQCBLHBMZFE-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nn(C)cc1Cl ZINC000665021737 453544378 /nfs/dbraw/zinc/54/43/78/453544378.db2.gz BMDNCFHPHLMNBA-LBPRGKRZSA-N 1 3 344.891 1.145 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nn(C)cc1Cl ZINC000665021737 453544385 /nfs/dbraw/zinc/54/43/85/453544385.db2.gz BMDNCFHPHLMNBA-LBPRGKRZSA-N 1 3 344.891 1.145 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cn(C)nc1C ZINC000448854378 447353816 /nfs/dbraw/zinc/35/38/16/447353816.db2.gz UTYXLYZRYUEDAZ-QGZVFWFLSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cn(C)nc1C ZINC000448854378 447353820 /nfs/dbraw/zinc/35/38/20/447353820.db2.gz UTYXLYZRYUEDAZ-QGZVFWFLSA-N 1 3 335.496 1.146 20 0 EDADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419699712 447357328 /nfs/dbraw/zinc/35/73/28/447357328.db2.gz RKSQVJILLGWPGL-HNNXBMFYSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000414913811 447354834 /nfs/dbraw/zinc/35/48/34/447354834.db2.gz WXOOQGCAYJMDNN-WQVCFCJDSA-N 1 3 330.432 1.340 20 0 EDADHO N[C@H](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000514672011 305701739 /nfs/dbraw/zinc/70/17/39/305701739.db2.gz GWMYYCLGCLODHR-ZHALLVOQSA-N 1 3 331.460 1.821 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CNCCC1(F)F ZINC000521841099 305793378 /nfs/dbraw/zinc/79/33/78/305793378.db2.gz WARMNVFTONISDV-HNNXBMFYSA-N 1 3 344.450 1.937 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1 ZINC000414940054 447365055 /nfs/dbraw/zinc/36/50/55/447365055.db2.gz GXAQITUEMVKHPL-CJNGLKHVSA-N 1 3 332.448 1.143 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000545176403 306081231 /nfs/dbraw/zinc/08/12/31/306081231.db2.gz KACVIRSDRVFRLY-IIDMSEBBSA-N 1 3 340.512 1.109 20 0 EDADHO O=C(C[NH2+][C@H]1CCCC12CCOCC2)NC1CCN(C2CC2)CC1 ZINC000548800525 306138780 /nfs/dbraw/zinc/13/87/80/306138780.db2.gz UBHVGQXGHFJTDZ-KRWDZBQOSA-N 1 3 335.492 1.668 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049954 306174524 /nfs/dbraw/zinc/17/45/24/306174524.db2.gz KPGMWMJTQLRTFY-HUUCEWRRSA-N 1 3 346.475 1.694 20 0 EDADHO CC[C@@H](COC)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553477516 306185428 /nfs/dbraw/zinc/18/54/28/306185428.db2.gz BWUIDDWEERUAAA-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422146297 447372177 /nfs/dbraw/zinc/37/21/77/447372177.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000422146297 447372189 /nfs/dbraw/zinc/37/21/89/447372189.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415301084 447405289 /nfs/dbraw/zinc/40/52/89/447405289.db2.gz AVNDITIRRLCMGD-QGZVFWFLSA-N 1 3 344.459 1.479 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458541180 447405952 /nfs/dbraw/zinc/40/59/52/447405952.db2.gz RWZYUEMBBMJGCC-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000458541180 447405956 /nfs/dbraw/zinc/40/59/56/447405956.db2.gz RWZYUEMBBMJGCC-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000419789722 447412499 /nfs/dbraw/zinc/41/24/99/447412499.db2.gz CYPACFLAESXMNG-GFCCVEGCSA-N 1 3 345.896 1.809 20 0 EDADHO C[N@H+]1CCC[C@H](CCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000419789722 447412504 /nfs/dbraw/zinc/41/25/04/447412504.db2.gz CYPACFLAESXMNG-GFCCVEGCSA-N 1 3 345.896 1.809 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000105114074 441235301 /nfs/dbraw/zinc/23/53/01/441235301.db2.gz HUPIZRALPHMBPS-QGZVFWFLSA-N 1 3 348.491 1.863 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996590 441329601 /nfs/dbraw/zinc/32/96/01/441329601.db2.gz ZAGFORNKGLNQJK-QGZVFWFLSA-N 1 3 325.497 1.866 20 0 EDADHO CN(C)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1 ZINC000050798387 441389323 /nfs/dbraw/zinc/38/93/23/441389323.db2.gz LONYSKKVGODSTF-UHFFFAOYSA-N 1 3 345.491 1.436 20 0 EDADHO CCOc1cc(CNCCN2CC[NH2+]CC2)cc(Cl)c1OC ZINC000106958908 441395070 /nfs/dbraw/zinc/39/50/70/441395070.db2.gz CFIQWXRGQKSTTM-UHFFFAOYSA-N 1 3 327.856 1.742 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000108549810 441463188 /nfs/dbraw/zinc/46/31/88/441463188.db2.gz VMEYEHXONUGFJT-QGZVFWFLSA-N 1 3 348.491 1.768 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000108549810 441463191 /nfs/dbraw/zinc/46/31/91/441463191.db2.gz VMEYEHXONUGFJT-QGZVFWFLSA-N 1 3 348.491 1.768 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108561190 441465209 /nfs/dbraw/zinc/46/52/09/441465209.db2.gz CUPYJADLOFPAFK-MSOLQXFVSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108561190 441465213 /nfs/dbraw/zinc/46/52/13/441465213.db2.gz CUPYJADLOFPAFK-MSOLQXFVSA-N 1 3 332.492 1.800 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415439064 447441706 /nfs/dbraw/zinc/44/17/06/447441706.db2.gz CFHHPISJJNPCFG-GJZGRUSLSA-N 1 3 332.448 1.239 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415440858 447442292 /nfs/dbraw/zinc/44/22/92/447442292.db2.gz MRZBRJZXIZYMKU-ZFWWWQNUSA-N 1 3 332.448 1.191 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000120183513 442024490 /nfs/dbraw/zinc/02/44/90/442024490.db2.gz QMYRXGDSXRYWFB-KRWDZBQOSA-N 1 3 326.481 1.351 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176218036 442194256 /nfs/dbraw/zinc/19/42/56/442194256.db2.gz PLZBRVHERPMMPE-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000176218036 442194258 /nfs/dbraw/zinc/19/42/58/442194258.db2.gz PLZBRVHERPMMPE-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(CCO)CC1)CC2 ZINC000168943940 442225489 /nfs/dbraw/zinc/22/54/89/442225489.db2.gz YIRONPBIKJZORX-HXUWFJFHSA-N 1 3 331.504 1.962 20 0 EDADHO Cc1cc(NC(=O)[C@H]2C[C@H](O)CN2)ccc1OCC[NH+]1CCCC1 ZINC000169092606 442226214 /nfs/dbraw/zinc/22/62/14/442226214.db2.gz JVLTVTPEPGMDBV-JKSUJKDBSA-N 1 3 333.432 1.131 20 0 EDADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000127944345 442235211 /nfs/dbraw/zinc/23/52/11/442235211.db2.gz MIJUCNGUDSWHSY-HZPDHXFCSA-N 1 3 329.510 1.407 20 0 EDADHO CCCS(=O)(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000127944345 442235212 /nfs/dbraw/zinc/23/52/12/442235212.db2.gz MIJUCNGUDSWHSY-HZPDHXFCSA-N 1 3 329.510 1.407 20 0 EDADHO CCCS(=O)(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000127944345 442235216 /nfs/dbraw/zinc/23/52/16/442235216.db2.gz MIJUCNGUDSWHSY-HZPDHXFCSA-N 1 3 329.510 1.407 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000153196298 442266722 /nfs/dbraw/zinc/26/67/22/442266722.db2.gz QHSQZDFIDOXPEY-UHFFFAOYSA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000153196298 442266725 /nfs/dbraw/zinc/26/67/25/442266725.db2.gz QHSQZDFIDOXPEY-UHFFFAOYSA-N 1 3 338.496 1.101 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153788785 442303714 /nfs/dbraw/zinc/30/37/14/442303714.db2.gz MMXLJFCXBDTEQM-MRXNPFEDSA-N 1 3 346.475 1.453 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000153788785 442303717 /nfs/dbraw/zinc/30/37/17/442303717.db2.gz MMXLJFCXBDTEQM-MRXNPFEDSA-N 1 3 346.475 1.453 20 0 EDADHO Cc1ccc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130617226 442351744 /nfs/dbraw/zinc/35/17/44/442351744.db2.gz SBQYMTCUYJITLM-UHFFFAOYSA-N 1 3 334.464 1.194 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000131512399 442373928 /nfs/dbraw/zinc/37/39/28/442373928.db2.gz WEGOAPKNKOMOIZ-AWEZNQCLSA-N 1 3 340.493 1.560 20 0 EDADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1C ZINC000155152148 442378713 /nfs/dbraw/zinc/37/87/13/442378713.db2.gz JWVGTWQPTYQUQS-PKOBYXMFSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1C ZINC000155152148 442378714 /nfs/dbraw/zinc/37/87/14/442378714.db2.gz JWVGTWQPTYQUQS-PKOBYXMFSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1C ZINC000155152148 442378717 /nfs/dbraw/zinc/37/87/17/442378717.db2.gz JWVGTWQPTYQUQS-PKOBYXMFSA-N 1 3 347.503 1.970 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000179700579 442490807 /nfs/dbraw/zinc/49/08/07/442490807.db2.gz HJISXZPPTHKKCZ-QGZVFWFLSA-N 1 3 338.540 1.593 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000186693897 442593886 /nfs/dbraw/zinc/59/38/86/442593886.db2.gz RJEVYSQSUWKQIM-CVEARBPZSA-N 1 3 338.496 1.004 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000193690039 442767278 /nfs/dbraw/zinc/76/72/78/442767278.db2.gz KYSCZHHLEIFQJH-KRWDZBQOSA-N 1 3 346.475 1.208 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1N(C)C ZINC000268255862 442920677 /nfs/dbraw/zinc/92/06/77/442920677.db2.gz HUFUXCVNDMPRSD-RHSMWYFYSA-N 1 3 346.475 1.138 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2-c2cccnc2)CC1 ZINC000268402740 442976044 /nfs/dbraw/zinc/97/60/44/442976044.db2.gz DGLMNOCGYJUNHV-UHFFFAOYSA-N 1 3 343.475 1.807 20 0 EDADHO Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000266584501 443176354 /nfs/dbraw/zinc/17/63/54/443176354.db2.gz NBIXDYNDFXWYPA-GOSISDBHSA-N 1 3 333.476 1.418 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCCC1 ZINC000262853047 443214885 /nfs/dbraw/zinc/21/48/85/443214885.db2.gz VOIQJFKKWAIZQC-IRXDYDNUSA-N 1 3 345.491 1.898 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@H]1CNCCO1 ZINC000269248001 443249344 /nfs/dbraw/zinc/24/93/44/443249344.db2.gz WHBXIVBAKHJKKO-KRWDZBQOSA-N 1 3 349.475 1.402 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522685 319135475 /nfs/dbraw/zinc/13/54/75/319135475.db2.gz VKJSFDFFMXROHG-GJZGRUSLSA-N 1 3 341.496 1.869 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269250829 443251279 /nfs/dbraw/zinc/25/12/79/443251279.db2.gz GQOXVHMHLCISNP-QRQLOZEOSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000269250829 443251281 /nfs/dbraw/zinc/25/12/81/443251281.db2.gz GQOXVHMHLCISNP-QRQLOZEOSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCN1Cc1ccccc1 ZINC000269250879 443251334 /nfs/dbraw/zinc/25/13/34/443251334.db2.gz GWOUXMAZOKZAEI-HKUYNNGSSA-N 1 3 345.487 1.878 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411689714 319195839 /nfs/dbraw/zinc/19/58/39/319195839.db2.gz GDZJZUYVVZQSIJ-QUCCMNQESA-N 1 3 344.503 1.622 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)cc1 ZINC000414679941 319340735 /nfs/dbraw/zinc/34/07/35/319340735.db2.gz MHRXQEGBSDJKTA-INIZCTEOSA-N 1 3 334.464 1.437 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415954556 319384147 /nfs/dbraw/zinc/38/41/47/319384147.db2.gz KOPJENXLZVUEGP-UHFFFAOYSA-N 1 3 338.427 1.561 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415954556 319384149 /nfs/dbraw/zinc/38/41/49/319384149.db2.gz KOPJENXLZVUEGP-UHFFFAOYSA-N 1 3 338.427 1.561 20 0 EDADHO C[NH+](C)[C@H](CC(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1 ZINC000416246738 319405049 /nfs/dbraw/zinc/40/50/49/319405049.db2.gz VUNACIDJWBDICF-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208389 443279270 /nfs/dbraw/zinc/27/92/70/443279270.db2.gz JZSAGDYSKNMEJP-SJLPKXTDSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208389 443279272 /nfs/dbraw/zinc/27/92/72/443279272.db2.gz JZSAGDYSKNMEJP-SJLPKXTDSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337179 /nfs/dbraw/zinc/33/71/79/443337179.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 1 3 345.487 1.468 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337184 /nfs/dbraw/zinc/33/71/84/443337184.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 1 3 345.487 1.468 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000264763492 443413094 /nfs/dbraw/zinc/41/30/94/443413094.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 1 3 328.460 1.751 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000264763492 443413101 /nfs/dbraw/zinc/41/31/01/443413101.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 1 3 328.460 1.751 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(C)C ZINC000272776684 443440442 /nfs/dbraw/zinc/44/04/42/443440442.db2.gz APEGAJGVFUJUEO-OALUTQOASA-N 1 3 347.503 1.846 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(C)C ZINC000272776684 443440446 /nfs/dbraw/zinc/44/04/46/443440446.db2.gz APEGAJGVFUJUEO-OALUTQOASA-N 1 3 347.503 1.846 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000423901390 319826056 /nfs/dbraw/zinc/82/60/56/319826056.db2.gz TYFKYQBYFATLKD-CMKODMSKSA-N 1 3 343.471 1.948 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000429186341 319923977 /nfs/dbraw/zinc/92/39/77/319923977.db2.gz WYMIVUIUJROXQK-GOSISDBHSA-N 1 3 332.492 1.688 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571744 320036282 /nfs/dbraw/zinc/03/62/82/320036282.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571744 320036284 /nfs/dbraw/zinc/03/62/84/320036284.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000440274409 320068235 /nfs/dbraw/zinc/06/82/35/320068235.db2.gz TZFGHSSUHKGOKP-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO Cc1cc(C)n2c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cnc2n1 ZINC000441346140 320093450 /nfs/dbraw/zinc/09/34/50/320093450.db2.gz JEEGHORPNMMFHW-UHFFFAOYSA-N 1 3 330.480 1.462 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000444272204 320124099 /nfs/dbraw/zinc/12/40/99/320124099.db2.gz WQHDVFNMYUWBTG-OAHLLOKOSA-N 1 3 331.420 1.203 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746309 320203853 /nfs/dbraw/zinc/20/38/53/320203853.db2.gz RDDPFJLPOHNZJR-FUHWJXTLSA-N 1 3 344.503 1.962 20 0 EDADHO CC1(C)[NH2+]CC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000449754310 320205444 /nfs/dbraw/zinc/20/54/44/320205444.db2.gz QIWXGEZEEZTQOS-GOSISDBHSA-N 1 3 344.503 1.846 20 0 EDADHO CCN1CCN(CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457453771 320326461 /nfs/dbraw/zinc/32/64/61/320326461.db2.gz UFUKUOXXFOVTGO-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO CN1CCN(CCNC(=O)NC(C)(C)CCC[NH+](C)C)CC1(C)C ZINC000458735656 320339947 /nfs/dbraw/zinc/33/99/47/320339947.db2.gz UDPAMNZPQZBDNX-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576661 443923940 /nfs/dbraw/zinc/92/39/40/443923940.db2.gz BCVZQZZZFMHYRV-QGZVFWFLSA-N 1 3 334.508 1.679 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000561110449 321032894 /nfs/dbraw/zinc/03/28/94/321032894.db2.gz BSIYQJBVFONVPS-ROUUACIJSA-N 1 3 346.475 1.501 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000563938958 321116501 /nfs/dbraw/zinc/11/65/01/321116501.db2.gz NJFUXXHCZIXNAZ-UHFFFAOYSA-N 1 3 347.463 1.558 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000566089067 321214243 /nfs/dbraw/zinc/21/42/43/321214243.db2.gz IWERTNRSMSUWCW-WNHJNPCNSA-N 1 3 333.476 1.229 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000566907837 321236059 /nfs/dbraw/zinc/23/60/59/321236059.db2.gz UWNAODLOLQWPRI-IBGZPJMESA-N 1 3 347.503 1.991 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567478676 321243576 /nfs/dbraw/zinc/24/35/76/321243576.db2.gz MYSCIONMTMTNEM-HKUYNNGSSA-N 1 3 342.487 1.905 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000568201274 321280477 /nfs/dbraw/zinc/28/04/77/321280477.db2.gz LLPZDAQTYHGHOL-INIZCTEOSA-N 1 3 333.480 1.393 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)CCCO)CC2)CC1 ZINC000568229277 321283129 /nfs/dbraw/zinc/28/31/29/321283129.db2.gz VEJCMSADDVGITK-INIZCTEOSA-N 1 3 339.524 1.708 20 0 EDADHO CCc1noc(-c2ccc(CCNC[C@H](O)C[N@H+](C)C3CC3)cc2)n1 ZINC000568501536 321294563 /nfs/dbraw/zinc/29/45/63/321294563.db2.gz YTZHQGMPKYFZTM-KRWDZBQOSA-N 1 3 344.459 1.886 20 0 EDADHO CCc1noc(-c2ccc(CCNC[C@H](O)C[N@@H+](C)C3CC3)cc2)n1 ZINC000568501536 321294564 /nfs/dbraw/zinc/29/45/64/321294564.db2.gz YTZHQGMPKYFZTM-KRWDZBQOSA-N 1 3 344.459 1.886 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000569218954 321321669 /nfs/dbraw/zinc/32/16/69/321321669.db2.gz ISTASFYPIRXLQB-HNNXBMFYSA-N 1 3 346.475 1.492 20 0 EDADHO COC(=O)c1ccc([C@H](C)N(C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504516 444160926 /nfs/dbraw/zinc/16/09/26/444160926.db2.gz ULBLNTIYBVDRLU-AWEZNQCLSA-N 1 3 325.453 1.943 20 0 EDADHO C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCNC1 ZINC000574683615 321495480 /nfs/dbraw/zinc/49/54/80/321495480.db2.gz UUPDJOZZHCVTGH-LSDHHAIUSA-N 1 3 336.480 1.609 20 0 EDADHO C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(OCCN(C)C)cc1 ZINC000289817641 444207360 /nfs/dbraw/zinc/20/73/60/444207360.db2.gz OVILMSVUHMPFRM-HNNXBMFYSA-N 1 3 347.463 1.452 20 0 EDADHO CCc1cc(N(C)C[C@@H](O)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302696226 444220281 /nfs/dbraw/zinc/22/02/81/444220281.db2.gz WLQKYRVOFCMMJJ-QGZVFWFLSA-N 1 3 342.487 1.842 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157875 321544580 /nfs/dbraw/zinc/54/45/80/321544580.db2.gz UOULGUYCKBYWBH-RDJZCZTQSA-N 1 3 342.447 1.063 20 0 EDADHO NC[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000576492686 321571708 /nfs/dbraw/zinc/57/17/08/321571708.db2.gz WOELOMQKJDFLJK-HOCLYGCPSA-N 1 3 328.391 1.718 20 0 EDADHO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000304226495 444243590 /nfs/dbraw/zinc/24/35/90/444243590.db2.gz LGFZXMNOUIGGOF-VVLHAWIVSA-N 1 3 325.497 1.457 20 0 EDADHO C[C@H](NC(=O)[C@H](N)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309812169 444290260 /nfs/dbraw/zinc/29/02/60/444290260.db2.gz WTQGUEIYIDHYHU-AEGPPILISA-N 1 3 325.403 1.996 20 0 EDADHO C[C@H](NC(=O)[C@H](N)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309812169 444290262 /nfs/dbraw/zinc/29/02/62/444290262.db2.gz WTQGUEIYIDHYHU-AEGPPILISA-N 1 3 325.403 1.996 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000340517308 444422407 /nfs/dbraw/zinc/42/24/07/444422407.db2.gz MZQJHDUBOBHNPX-MSOLQXFVSA-N 1 3 329.448 1.413 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000580307623 322034140 /nfs/dbraw/zinc/03/41/40/322034140.db2.gz YKXCDTSPUOMFSR-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N(C)C3CC([NH3+])C3)c2)CC1 ZINC000580537781 322063114 /nfs/dbraw/zinc/06/31/14/322063114.db2.gz LRSOTPGOHMZCAF-UHFFFAOYSA-N 1 3 331.464 1.782 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000582012193 322245228 /nfs/dbraw/zinc/24/52/28/322245228.db2.gz ZNWXFMZOCZQCFP-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)n1 ZINC000582012193 322245230 /nfs/dbraw/zinc/24/52/30/322245230.db2.gz ZNWXFMZOCZQCFP-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000343694891 444526476 /nfs/dbraw/zinc/52/64/76/444526476.db2.gz PXIPCTRDQVKJEG-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO C[C@H](NCC1([NH3+])CCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000342142464 444530632 /nfs/dbraw/zinc/53/06/32/444530632.db2.gz QELIGFNQYLBXQA-INIZCTEOSA-N 1 3 344.503 1.627 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1 ZINC000338154709 444539022 /nfs/dbraw/zinc/53/90/22/444539022.db2.gz RYDVDERPBRYQRU-QGZVFWFLSA-N 1 3 349.475 1.320 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C1(N)CCOCC1)c1ccccc1 ZINC000338154709 444539026 /nfs/dbraw/zinc/53/90/26/444539026.db2.gz RYDVDERPBRYQRU-QGZVFWFLSA-N 1 3 349.475 1.320 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343817655 444608987 /nfs/dbraw/zinc/60/89/87/444608987.db2.gz OHNVXHMRSVPWPL-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO COCCCN(C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000340996493 444621317 /nfs/dbraw/zinc/62/13/17/444621317.db2.gz SPBIMXAKQKVEPU-UHFFFAOYSA-N 1 3 342.528 1.909 20 0 EDADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000333288707 444653950 /nfs/dbraw/zinc/65/39/50/444653950.db2.gz OAVJZSXMOCVJDI-CVEARBPZSA-N 1 3 325.416 1.338 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021315 444636646 /nfs/dbraw/zinc/63/66/46/444636646.db2.gz SUQNUEARYRYIGV-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021315 444636651 /nfs/dbraw/zinc/63/66/51/444636651.db2.gz SUQNUEARYRYIGV-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333126347 444641403 /nfs/dbraw/zinc/64/14/03/444641403.db2.gz BCTPZJICZNRLMC-AYDFFVQHSA-N 1 3 326.510 1.193 20 0 EDADHO COCC1(CNC(=O)N2CCC[C@H]3CN(C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856374 444703540 /nfs/dbraw/zinc/70/35/40/444703540.db2.gz RAJBSDRPLGMRDQ-JKSUJKDBSA-N 1 3 338.496 1.128 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCC2 ZINC000344138476 444802382 /nfs/dbraw/zinc/80/23/82/444802382.db2.gz NJPJCWFAIACFDA-QZTJIDSGSA-N 1 3 339.524 1.314 20 0 EDADHO CCC[N@H+](CCO[C@@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344148723 444807865 /nfs/dbraw/zinc/80/78/65/444807865.db2.gz DUGGBOHZXRDXQK-GOSISDBHSA-N 1 3 327.513 1.879 20 0 EDADHO CCC[N@@H+](CCO[C@@H]1CCCCO1)CCN1CCN(CC)CC1 ZINC000344148723 444807869 /nfs/dbraw/zinc/80/78/69/444807869.db2.gz DUGGBOHZXRDXQK-GOSISDBHSA-N 1 3 327.513 1.879 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341463749 444845132 /nfs/dbraw/zinc/84/51/32/444845132.db2.gz QDHLEWZPAJZVQE-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO CN(c1ccccc1CN[C@@H]1CCC(=O)NC1)C1CC[NH+](C)CC1 ZINC000344263653 444870495 /nfs/dbraw/zinc/87/04/95/444870495.db2.gz QNLLSZLEFSZAMF-MRXNPFEDSA-N 1 3 330.476 1.585 20 0 EDADHO CCNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723963 444971806 /nfs/dbraw/zinc/97/18/06/444971806.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 1 3 333.484 1.396 20 0 EDADHO CCNc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(NC(C)(C)C)n1 ZINC000341723963 444971811 /nfs/dbraw/zinc/97/18/11/444971811.db2.gz ULFVWAXTBMGLIV-CHWSQXEVSA-N 1 3 333.484 1.396 20 0 EDADHO CC(C)N1CCN(CCC[NH+]2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000337249405 445002670 /nfs/dbraw/zinc/00/26/70/445002670.db2.gz LVLGLRNUGINAPG-IBGZPJMESA-N 1 3 339.524 1.672 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906901 445065219 /nfs/dbraw/zinc/06/52/19/445065219.db2.gz YKYFRDQPYMFLPU-JTDSTZFVSA-N 1 3 345.487 1.977 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](C4CC4)C3)CC2)CC1 ZINC000343127042 445082850 /nfs/dbraw/zinc/08/28/50/445082850.db2.gz UMKUTULHNWOEMR-INIZCTEOSA-N 1 3 334.508 1.987 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343178849 445119544 /nfs/dbraw/zinc/11/95/44/445119544.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343178849 445119546 /nfs/dbraw/zinc/11/95/46/445119546.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 1 3 340.512 1.071 20 0 EDADHO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000337605967 445162758 /nfs/dbraw/zinc/16/27/58/445162758.db2.gz MIJUCNGUDSWHSY-HOTGVXAUSA-N 1 3 329.510 1.407 20 0 EDADHO CCCS(=O)(=O)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000337605967 445162760 /nfs/dbraw/zinc/16/27/60/445162760.db2.gz MIJUCNGUDSWHSY-HOTGVXAUSA-N 1 3 329.510 1.407 20 0 EDADHO CCCS(=O)(=O)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000337605967 445162763 /nfs/dbraw/zinc/16/27/63/445162763.db2.gz MIJUCNGUDSWHSY-HOTGVXAUSA-N 1 3 329.510 1.407 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1cccn1 ZINC000337569665 445142679 /nfs/dbraw/zinc/14/26/79/445142679.db2.gz BYJKFNLVKDYBLX-QGZVFWFLSA-N 1 3 335.496 1.538 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1cccn1 ZINC000337569665 445142682 /nfs/dbraw/zinc/14/26/82/445142682.db2.gz BYJKFNLVKDYBLX-QGZVFWFLSA-N 1 3 335.496 1.538 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCN(C)CC2)C1 ZINC000351745547 445305193 /nfs/dbraw/zinc/30/51/93/445305193.db2.gz NSOWBHNINJUMCG-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000354959136 445436598 /nfs/dbraw/zinc/43/65/98/445436598.db2.gz NSUAKHGPRDGZPM-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000354959136 445436602 /nfs/dbraw/zinc/43/66/02/445436602.db2.gz NSUAKHGPRDGZPM-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563298 445441102 /nfs/dbraw/zinc/44/11/02/445441102.db2.gz XVQWSTTXDAYPNR-HZPDHXFCSA-N 1 3 341.459 1.389 20 0 EDADHO C[C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243080 445502178 /nfs/dbraw/zinc/50/21/78/445502178.db2.gz PYLMUWMUCIXCKB-KRWDZBQOSA-N 1 3 344.503 1.166 20 0 EDADHO CN(CCN1CCCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353445380 445605216 /nfs/dbraw/zinc/60/52/16/445605216.db2.gz WIFKSMHLSAAQOC-UHFFFAOYSA-N 1 3 338.496 1.369 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000353464736 445613849 /nfs/dbraw/zinc/61/38/49/445613849.db2.gz WKIYPOYKPJFRCS-QAPCUYQASA-N 1 3 346.475 1.834 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000353464736 445613851 /nfs/dbraw/zinc/61/38/51/445613851.db2.gz WKIYPOYKPJFRCS-QAPCUYQASA-N 1 3 346.475 1.834 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCCOC1CCCCC1 ZINC000358505609 445623264 /nfs/dbraw/zinc/62/32/64/445623264.db2.gz KNSALFIYVOOUCD-UHFFFAOYSA-N 1 3 337.508 1.918 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000358530865 445637038 /nfs/dbraw/zinc/63/70/38/445637038.db2.gz SMJNXMJMUWDVSN-SCTDSRPQSA-N 1 3 339.524 1.264 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCN1CCOC ZINC000349710581 445652371 /nfs/dbraw/zinc/65/23/71/445652371.db2.gz GCEPSBXANZKOSS-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353588914 445668694 /nfs/dbraw/zinc/66/86/94/445668694.db2.gz OEPWJOMGRIRACT-KZNAEPCWSA-N 1 3 345.487 1.816 20 0 EDADHO C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)N(C)Cc1ccccc1 ZINC000349983924 445741156 /nfs/dbraw/zinc/74/11/56/445741156.db2.gz CLFCRURYARLKGE-MRXNPFEDSA-N 1 3 341.459 1.735 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863234 445818064 /nfs/dbraw/zinc/81/80/64/445818064.db2.gz VLULMCNBTLNTBM-RHSMWYFYSA-N 1 3 336.455 1.010 20 0 EDADHO CC(C)N1CCC[C@@H](N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477997 445820118 /nfs/dbraw/zinc/82/01/18/445820118.db2.gz FDPFFUCEDPMKKY-ZWKOTPCHSA-N 1 3 336.524 1.486 20 0 EDADHO Cc1ncc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c(C)n1 ZINC000361495854 445787642 /nfs/dbraw/zinc/78/76/42/445787642.db2.gz HSRVIBANWJZCJM-HNNXBMFYSA-N 1 3 335.496 1.134 20 0 EDADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000353863351 445788445 /nfs/dbraw/zinc/78/84/45/445788445.db2.gz VXURTRKGXLYVAT-OALUTQOASA-N 1 3 349.519 1.964 20 0 EDADHO CCC[C@@H](C(=O)N(CCC)CCN1CCN(CC)CC1)[NH+](C)C ZINC000356580367 445870367 /nfs/dbraw/zinc/87/03/67/445870367.db2.gz PFTDQMDFFACMAR-KRWDZBQOSA-N 1 3 326.529 1.593 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085743 445894082 /nfs/dbraw/zinc/89/40/82/445894082.db2.gz YHQFONPDXXJWNG-GOSISDBHSA-N 1 3 333.476 1.979 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354087360 445894357 /nfs/dbraw/zinc/89/43/57/445894357.db2.gz ZQEVVQGYQWCYCL-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354087360 445894360 /nfs/dbraw/zinc/89/43/60/445894360.db2.gz ZQEVVQGYQWCYCL-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000364122847 445897061 /nfs/dbraw/zinc/89/70/61/445897061.db2.gz NTHLIPMZBWDSBE-IUVQAAGXSA-N 1 3 337.508 1.852 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000364122847 445897063 /nfs/dbraw/zinc/89/70/63/445897063.db2.gz NTHLIPMZBWDSBE-IUVQAAGXSA-N 1 3 337.508 1.852 20 0 EDADHO CN1CC[C@@H](CNC(=O)NCC[N@H+](C)C2CC2)[C@@H]1c1cccnc1 ZINC000364143435 445897861 /nfs/dbraw/zinc/89/78/61/445897861.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 1 3 331.464 1.468 20 0 EDADHO CN1CC[C@@H](CNC(=O)NCC[N@@H+](C)C2CC2)[C@@H]1c1cccnc1 ZINC000364143435 445897867 /nfs/dbraw/zinc/89/78/67/445897867.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 1 3 331.464 1.468 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000365952863 445924759 /nfs/dbraw/zinc/92/47/59/445924759.db2.gz USJXGQCUQRLIRD-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000365952863 445924763 /nfs/dbraw/zinc/92/47/63/445924763.db2.gz USJXGQCUQRLIRD-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000364864297 445963149 /nfs/dbraw/zinc/96/31/49/445963149.db2.gz GNDOTXDJJRESPE-IEBWSBKVSA-N 1 3 348.466 1.183 20 0 EDADHO [NH3+][C@H]1CCC[C@]12CCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000365097458 446022095 /nfs/dbraw/zinc/02/20/95/446022095.db2.gz ZBYCCEWRDHAERQ-FUHWJXTLSA-N 1 3 335.492 1.751 20 0 EDADHO CN(CCO[C@@H]1CCCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373119436 446042579 /nfs/dbraw/zinc/04/25/79/446042579.db2.gz YQDRUCYJSGNWDF-ZWKOTPCHSA-N 1 3 325.497 1.630 20 0 EDADHO CN(CCO[C@@H]1CCCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373119436 446042583 /nfs/dbraw/zinc/04/25/83/446042583.db2.gz YQDRUCYJSGNWDF-ZWKOTPCHSA-N 1 3 325.497 1.630 20 0 EDADHO [NH3+]C1CCN(C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000583430201 326070685 /nfs/dbraw/zinc/07/06/85/326070685.db2.gz YIQMBFUDDOFLHO-UHFFFAOYSA-N 1 3 346.475 1.794 20 0 EDADHO C[N@H+](CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092593 /nfs/dbraw/zinc/09/25/93/326092593.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@@H+](CCCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092595 /nfs/dbraw/zinc/09/25/95/326092595.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000583866867 326155357 /nfs/dbraw/zinc/15/53/57/326155357.db2.gz KHDXZGNKSPJYJR-OWSLCNJRSA-N 1 3 341.540 1.557 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000583866867 326155359 /nfs/dbraw/zinc/15/53/59/326155359.db2.gz KHDXZGNKSPJYJR-OWSLCNJRSA-N 1 3 341.540 1.557 20 0 EDADHO COC[C@@]1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCC[NH2+]1 ZINC000584162511 326211774 /nfs/dbraw/zinc/21/17/74/326211774.db2.gz WHGQFKWIWIYSNY-WMZOPIPTSA-N 1 3 338.496 1.415 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000365297865 446132434 /nfs/dbraw/zinc/13/24/34/446132434.db2.gz WXNRQEDLVTXSBN-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CC[N@H+](CCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1)CC1CC1 ZINC000356895643 446102472 /nfs/dbraw/zinc/10/24/72/446102472.db2.gz QFAKNWLLDULEEY-AWEZNQCLSA-N 1 3 344.521 1.780 20 0 EDADHO CC[N@@H+](CCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1)CC1CC1 ZINC000356895643 446102475 /nfs/dbraw/zinc/10/24/75/446102475.db2.gz QFAKNWLLDULEEY-AWEZNQCLSA-N 1 3 344.521 1.780 20 0 EDADHO CCCN(C)CC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103851 /nfs/dbraw/zinc/10/38/51/446103851.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO CCCN(C)CC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103854 /nfs/dbraw/zinc/10/38/54/446103854.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 1 3 325.497 1.676 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000359375677 446182237 /nfs/dbraw/zinc/18/22/37/446182237.db2.gz POZKOJQTCIVMKU-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669190 446145214 /nfs/dbraw/zinc/14/52/14/446145214.db2.gz XVVGWXBBVVOJPT-OWSLCNJRSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669190 446145220 /nfs/dbraw/zinc/14/52/20/446145220.db2.gz XVVGWXBBVVOJPT-OWSLCNJRSA-N 1 3 334.508 1.987 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366329873 446155307 /nfs/dbraw/zinc/15/53/07/446155307.db2.gz ZKAPHPSQSIVJMN-MAUKXSAKSA-N 1 3 338.540 1.672 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365426825 446202883 /nfs/dbraw/zinc/20/28/83/446202883.db2.gz LMICBGUIHNVLEC-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000362159606 446241324 /nfs/dbraw/zinc/24/13/24/446241324.db2.gz VYZBEFFOFUYQJQ-NVXWUHKLSA-N 1 3 325.497 1.724 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000370407757 446264423 /nfs/dbraw/zinc/26/44/23/446264423.db2.gz RVMUOAASHZKSOJ-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO COc1ccc([C@@H]2[C@@H](CNC(=O)C[C@H](C[NH3+])OC)CCCN2C)cc1 ZINC000365709617 446309824 /nfs/dbraw/zinc/30/98/24/446309824.db2.gz DZUBOXJAOVHALK-SZVBFZGTSA-N 1 3 349.475 1.558 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]C[C@@H]1CCSC1 ZINC000366749004 446333160 /nfs/dbraw/zinc/33/31/60/446333160.db2.gz YMTKMJWWSMXOAC-HNNXBMFYSA-N 1 3 337.537 1.713 20 0 EDADHO CCOC(=O)CCCNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075220 446351149 /nfs/dbraw/zinc/35/11/49/446351149.db2.gz QYYURHDBMMQATE-UHFFFAOYSA-N 1 3 339.480 1.254 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573073 446365476 /nfs/dbraw/zinc/36/54/76/446365476.db2.gz WJLMTKFGXFTCMF-HOTGVXAUSA-N 1 3 326.485 1.304 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417667781 446369055 /nfs/dbraw/zinc/36/90/55/446369055.db2.gz IZMPMUGHHZVHGU-QYZOEREBSA-N 1 3 342.487 1.902 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383428 /nfs/dbraw/zinc/38/34/28/446383428.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383434 /nfs/dbraw/zinc/38/34/34/446383434.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO CN(CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000376336229 446436471 /nfs/dbraw/zinc/43/64/71/446436471.db2.gz VBSWNZSXKVYNKS-RTBURBONSA-N 1 3 335.467 1.789 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000418109795 446439909 /nfs/dbraw/zinc/43/99/09/446439909.db2.gz DDJYCUMOZDBMPA-HOTGVXAUSA-N 1 3 328.501 1.502 20 0 EDADHO COC(=O)C(C)(C)CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000374809470 446402086 /nfs/dbraw/zinc/40/20/86/446402086.db2.gz IJHNMTKAAFTJRD-MRXNPFEDSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000374809470 446402088 /nfs/dbraw/zinc/40/20/88/446402088.db2.gz IJHNMTKAAFTJRD-MRXNPFEDSA-N 1 3 325.497 1.676 20 0 EDADHO CCC[NH2+]CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418000794 446411543 /nfs/dbraw/zinc/41/15/43/446411543.db2.gz WEXBEWVMAWTXIZ-KRWDZBQOSA-N 1 3 334.464 1.052 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCCN1C ZINC000418012358 446415734 /nfs/dbraw/zinc/41/57/34/446415734.db2.gz XWJCBGKWLKSEOJ-XLNGHYISSA-N 1 3 338.496 1.397 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000418020160 446417747 /nfs/dbraw/zinc/41/77/47/446417747.db2.gz ZICJNJJMYKWWJI-RYQLBKOJSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H](c1ccccc1)N(C)C ZINC000418192063 446455438 /nfs/dbraw/zinc/45/54/38/446455438.db2.gz YFHNXTYSVWDAPL-FPMFFAJLSA-N 1 3 328.407 1.960 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277157 446471596 /nfs/dbraw/zinc/47/15/96/446471596.db2.gz NSMLZEDOWQXFLY-JQFCIGGWSA-N 1 3 337.489 1.819 20 0 EDADHO O[C@H](COc1ccccc1)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420312647 446475291 /nfs/dbraw/zinc/47/52/91/446475291.db2.gz IFMGCUSWBGGAJF-OALUTQOASA-N 1 3 347.503 1.434 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000432509863 446476756 /nfs/dbraw/zinc/47/67/56/446476756.db2.gz OQFWSBCQUASVHZ-YJBOKZPZSA-N 1 3 330.476 1.556 20 0 EDADHO C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423319192 446485887 /nfs/dbraw/zinc/48/58/87/446485887.db2.gz DCKRREWGDUQRSV-OAGGEKHMSA-N 1 3 347.507 1.880 20 0 EDADHO CC1CCC(NC(=O)CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420325482 446492059 /nfs/dbraw/zinc/49/20/59/446492059.db2.gz WQAIRNHLJSHVGG-ADKAHSJRSA-N 1 3 336.524 1.299 20 0 EDADHO COCCN1CCC([NH2+][C@H]2CNCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423336598 446492358 /nfs/dbraw/zinc/49/23/58/446492358.db2.gz QNHFNHBRDSXMDX-UXHICEINSA-N 1 3 347.503 1.841 20 0 EDADHO [NH3+]C[C@@H]1CN(CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326301 446492399 /nfs/dbraw/zinc/49/23/99/446492399.db2.gz JSJKKPUGTOSUST-OAHLLOKOSA-N 1 3 348.443 1.872 20 0 EDADHO NC[C@@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326301 446492406 /nfs/dbraw/zinc/49/24/06/446492406.db2.gz JSJKKPUGTOSUST-OAHLLOKOSA-N 1 3 348.443 1.872 20 0 EDADHO NC[C@@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326301 446492412 /nfs/dbraw/zinc/49/24/12/446492412.db2.gz JSJKKPUGTOSUST-OAHLLOKOSA-N 1 3 348.443 1.872 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000423376245 446508934 /nfs/dbraw/zinc/50/89/34/446508934.db2.gz KZHDPFKMCSLIKJ-OAHLLOKOSA-N 1 3 344.459 1.087 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@H](C)[NH3+] ZINC000423381186 446510632 /nfs/dbraw/zinc/51/06/32/446510632.db2.gz OEOSJVXXZOZFQT-HNAYVOBHSA-N 1 3 347.503 1.879 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328902 446496639 /nfs/dbraw/zinc/49/66/39/446496639.db2.gz NKICXWONVKQDSY-BZSNNMDCSA-N 1 3 343.471 1.428 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423354783 446498202 /nfs/dbraw/zinc/49/82/02/446498202.db2.gz GXLLJYPNWAYNJI-XLMAVXFVSA-N 1 3 339.524 1.954 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358997 446500219 /nfs/dbraw/zinc/50/02/19/446500219.db2.gz CORVJNCABMVKCX-OAHLLOKOSA-N 1 3 344.459 1.451 20 0 EDADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCC1C[NH2+]C1 ZINC000418489339 446563852 /nfs/dbraw/zinc/56/38/52/446563852.db2.gz OCSFSXACPBMNAA-QGZVFWFLSA-N 1 3 330.476 1.759 20 0 EDADHO CC(=O)Nc1cccc(NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346674 446521369 /nfs/dbraw/zinc/52/13/69/446521369.db2.gz XDRQIOWRESIGTD-GASCZTMLSA-N 1 3 330.432 1.515 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000433403333 446570251 /nfs/dbraw/zinc/57/02/51/446570251.db2.gz NUTVMKLSLJSTHF-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420427858 446602950 /nfs/dbraw/zinc/60/29/50/446602950.db2.gz XCDMURNUFCZASW-IYBDPMFKSA-N 1 3 337.489 1.368 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418627698 446620058 /nfs/dbraw/zinc/62/00/58/446620058.db2.gz BHOFRYPFUQWCEX-SFHVURJKSA-N 1 3 330.476 1.857 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225434 446654042 /nfs/dbraw/zinc/65/40/42/446654042.db2.gz CQUXEHNTXTXSTE-ZWKOTPCHSA-N 1 3 328.460 1.921 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375227153 446655483 /nfs/dbraw/zinc/65/54/83/446655483.db2.gz KTNYBNZEUOFJJB-SFHVURJKSA-N 1 3 342.487 1.998 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2CCC1CC2 ZINC000375227153 446655490 /nfs/dbraw/zinc/65/54/90/446655490.db2.gz KTNYBNZEUOFJJB-SFHVURJKSA-N 1 3 342.487 1.998 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368155400 446673594 /nfs/dbraw/zinc/67/35/94/446673594.db2.gz NQWGFYXCSTVASP-GOSISDBHSA-N 1 3 342.487 1.457 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375476687 446830925 /nfs/dbraw/zinc/83/09/25/446830925.db2.gz SMSWQBKGNURFJP-LMMKCTJWSA-N 1 3 334.460 1.973 20 0 EDADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C1CCOCC1)CC2 ZINC000371520116 446910953 /nfs/dbraw/zinc/91/09/53/446910953.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 1 3 335.492 1.717 20 0 EDADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1C1CCOCC1)CC2 ZINC000371520116 446910955 /nfs/dbraw/zinc/91/09/55/446910955.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 1 3 335.492 1.717 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368704245 447053685 /nfs/dbraw/zinc/05/36/85/447053685.db2.gz OMWKVAKVIOCBBU-INIZCTEOSA-N 1 3 325.416 1.341 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213055 /nfs/dbraw/zinc/21/30/55/447213055.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213062 /nfs/dbraw/zinc/21/30/62/447213062.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213068 /nfs/dbraw/zinc/21/30/68/447213068.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213075 /nfs/dbraw/zinc/21/30/75/447213075.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 1 3 336.520 1.951 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648567 447252169 /nfs/dbraw/zinc/25/21/69/447252169.db2.gz VBJSWYKCOMAZFD-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648567 447252177 /nfs/dbraw/zinc/25/21/77/447252177.db2.gz VBJSWYKCOMAZFD-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000458731047 447465674 /nfs/dbraw/zinc/46/56/74/447465674.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000458731047 447465679 /nfs/dbraw/zinc/46/56/79/447465679.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)N1CCN(C)CC1 ZINC000392336437 447522636 /nfs/dbraw/zinc/52/26/36/447522636.db2.gz WRFAKPRRIMLVLD-QGZVFWFLSA-N 1 3 338.540 1.674 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420216015 447674277 /nfs/dbraw/zinc/67/42/77/447674277.db2.gz WPXKWVYTPVUXNL-HZPDHXFCSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457932418 447677107 /nfs/dbraw/zinc/67/71/07/447677107.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457932418 447677112 /nfs/dbraw/zinc/67/71/12/447677112.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO COc1ccc(OC)c(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422765234 447744639 /nfs/dbraw/zinc/74/46/39/447744639.db2.gz QQRCDQOJGQJRRM-OKZBNKHCSA-N 1 3 334.460 1.993 20 0 EDADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(N2CCOCC2)c1 ZINC000422849281 447768914 /nfs/dbraw/zinc/76/89/14/447768914.db2.gz BTPSFLPDXXSXBQ-RYQLBKOJSA-N 1 3 333.476 1.674 20 0 EDADHO O[C@H](C[NH2+]C1CCNCC1)COc1ccccc1Br ZINC000422941460 447776864 /nfs/dbraw/zinc/77/68/64/447776864.db2.gz OOUUENZBEZLILZ-GFCCVEGCSA-N 1 3 329.238 1.530 20 0 EDADHO Cc1cccc(CN2CCN(C(=O)C[NH2+][C@](C)(CN)C(C)C)CC2)c1 ZINC000430565610 447780607 /nfs/dbraw/zinc/78/06/07/447780607.db2.gz ALZXTUVONFJYBJ-HXUWFJFHSA-N 1 3 346.519 1.602 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH3+])C1 ZINC000430593895 447782379 /nfs/dbraw/zinc/78/23/79/447782379.db2.gz PTPDKPDDWWRWEB-NVXWUHKLSA-N 1 3 330.476 1.189 20 0 EDADHO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422986462 447787504 /nfs/dbraw/zinc/78/75/04/447787504.db2.gz GXCVAIPUUUXWPH-SJORKVTESA-N 1 3 332.448 1.181 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431023651 447789940 /nfs/dbraw/zinc/78/99/40/447789940.db2.gz MOOKYMJBDCKUBJ-FGTMMUONSA-N 1 3 338.540 1.674 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CCCCC2)CCCO1 ZINC000431202816 447792752 /nfs/dbraw/zinc/79/27/52/447792752.db2.gz LDMZTXRFNREEQN-MRXNPFEDSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)NCCN2CCCCC2)CCCO1 ZINC000431202816 447792755 /nfs/dbraw/zinc/79/27/55/447792755.db2.gz LDMZTXRFNREEQN-MRXNPFEDSA-N 1 3 326.485 1.272 20 0 EDADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000423034135 447795640 /nfs/dbraw/zinc/79/56/40/447795640.db2.gz XIIHQWSWIALNTF-SZMVWBNQSA-N 1 3 332.492 1.006 20 0 EDADHO c1ccc(CN2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086103 447802108 /nfs/dbraw/zinc/80/21/08/447802108.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 1 3 329.488 1.865 20 0 EDADHO C[C@H](CNC(=O)NCCCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000523004686 447868196 /nfs/dbraw/zinc/86/81/96/447868196.db2.gz QOTBBXGFZROMFI-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCCO1 ZINC000569771673 447884885 /nfs/dbraw/zinc/88/48/85/447884885.db2.gz WEUUGCRHMKWACJ-HNNXBMFYSA-N 1 3 347.438 1.997 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569823135 447901037 /nfs/dbraw/zinc/90/10/37/447901037.db2.gz GHAICXAEUVLJMY-SFHVURJKSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569823135 447901040 /nfs/dbraw/zinc/90/10/40/447901040.db2.gz GHAICXAEUVLJMY-SFHVURJKSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NCCOc1cccc(F)c1)CC[NH2+]CC2 ZINC000576100071 447970809 /nfs/dbraw/zinc/97/08/09/447970809.db2.gz WMWHNRKXYIOUPT-OAHLLOKOSA-N 1 3 349.450 1.785 20 0 EDADHO [NH3+][C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000576330946 448028223 /nfs/dbraw/zinc/02/82/23/448028223.db2.gz DIWZOAJDLSTLLB-DLBZAZTESA-N 1 3 332.448 1.020 20 0 EDADHO C[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289635 448044140 /nfs/dbraw/zinc/04/41/40/448044140.db2.gz OPQSLABNMYYWBH-YJBOKZPZSA-N 1 3 343.512 1.974 20 0 EDADHO C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000497289635 448044148 /nfs/dbraw/zinc/04/41/48/448044148.db2.gz OPQSLABNMYYWBH-YJBOKZPZSA-N 1 3 343.512 1.974 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000576568059 448085198 /nfs/dbraw/zinc/08/51/98/448085198.db2.gz NNSQAMAEMBLORD-SFHVURJKSA-N 1 3 344.503 1.992 20 0 EDADHO O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN2CCC1CC2 ZINC000526067462 448093040 /nfs/dbraw/zinc/09/30/40/448093040.db2.gz MSUCOAOAFRGPDW-QGZVFWFLSA-N 1 3 328.460 1.600 20 0 EDADHO O=C([C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN2CCC1CC2 ZINC000526067462 448093044 /nfs/dbraw/zinc/09/30/44/448093044.db2.gz MSUCOAOAFRGPDW-QGZVFWFLSA-N 1 3 328.460 1.600 20 0 EDADHO CC[C@H]1CN(C[C@H](O)C[N@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460374 448157419 /nfs/dbraw/zinc/15/74/19/448157419.db2.gz RFZFCSXUHGDCKK-VQTJNVASSA-N 1 3 349.519 1.522 20 0 EDADHO CC[C@H]1CN(C[C@H](O)C[N@@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460374 448157424 /nfs/dbraw/zinc/15/74/24/448157424.db2.gz RFZFCSXUHGDCKK-VQTJNVASSA-N 1 3 349.519 1.522 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CNC2CC[NH+](CC3CC3)CC2)cn1 ZINC000526987113 448133122 /nfs/dbraw/zinc/13/31/22/448133122.db2.gz FTLTUKHOPMWYSY-HKUYNNGSSA-N 1 3 349.498 1.797 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CN2CCC1CC2 ZINC000582555920 448274353 /nfs/dbraw/zinc/27/43/53/448274353.db2.gz RWYBSXFKHWNJGV-IRXDYDNUSA-N 1 3 337.533 1.757 20 0 EDADHO C[C@@H](CC[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)Cc1ccccc1 ZINC000515347378 448293645 /nfs/dbraw/zinc/29/36/45/448293645.db2.gz DPVRPUDDUPKKDK-AZUAARDMSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@@H](CCNC[C@@H](O)CN1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000515347378 448293651 /nfs/dbraw/zinc/29/36/51/448293651.db2.gz DPVRPUDDUPKKDK-AZUAARDMSA-N 1 3 348.535 1.095 20 0 EDADHO C[C@@H](CCNC[C@@H](O)CN1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515347378 448293659 /nfs/dbraw/zinc/29/36/59/448293659.db2.gz DPVRPUDDUPKKDK-AZUAARDMSA-N 1 3 348.535 1.095 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3CNCc4ccccc43)CC2)C1 ZINC000566209474 448416141 /nfs/dbraw/zinc/41/61/41/448416141.db2.gz WZXVDZRZWALBAG-BHIYHBOVSA-N 1 3 343.471 1.618 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000577744036 448375541 /nfs/dbraw/zinc/37/55/41/448375541.db2.gz CICUUQHVQDVAON-SJORKVTESA-N 1 3 337.508 1.458 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572612002 448423365 /nfs/dbraw/zinc/42/33/65/448423365.db2.gz FYVIKZDSAOEBCV-INIZCTEOSA-N 1 3 332.492 1.191 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000516653808 448457855 /nfs/dbraw/zinc/45/78/55/448457855.db2.gz WPFREIDWHHXPFZ-VQIMIIECSA-N 1 3 344.503 1.438 20 0 EDADHO C[C@H]1CCN(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000566436632 448468934 /nfs/dbraw/zinc/46/89/34/448468934.db2.gz NKJDBLAJWBJWRU-INIZCTEOSA-N 1 3 333.476 1.628 20 0 EDADHO NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759458 448483407 /nfs/dbraw/zinc/48/34/07/448483407.db2.gz RFRCYZRKNCKKDG-IXDOHACOSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759458 448483416 /nfs/dbraw/zinc/48/34/16/448483416.db2.gz RFRCYZRKNCKKDG-IXDOHACOSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759458 448483421 /nfs/dbraw/zinc/48/34/21/448483421.db2.gz RFRCYZRKNCKKDG-IXDOHACOSA-N 1 3 344.459 1.462 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000584350002 448493794 /nfs/dbraw/zinc/49/37/94/448493794.db2.gz GOYOZRKBPLVKKK-CEXWTWQISA-N 1 3 339.414 1.966 20 0 EDADHO O[C@@]1(C(F)F)CCN(CCCC[N@@H+]2CC[C@@](O)(C(F)F)C2)C1 ZINC000578485261 448556501 /nfs/dbraw/zinc/55/65/01/448556501.db2.gz MUWRUFLDLLTZTA-KBPBESRZSA-N 1 3 328.350 1.170 20 0 EDADHO O[C@@]1(C(F)F)CCN(CCCC[N@H+]2CC[C@@](O)(C(F)F)C2)C1 ZINC000578485261 448556505 /nfs/dbraw/zinc/55/65/05/448556505.db2.gz MUWRUFLDLLTZTA-KBPBESRZSA-N 1 3 328.350 1.170 20 0 EDADHO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000566687709 448540122 /nfs/dbraw/zinc/54/01/22/448540122.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 1 3 328.460 1.669 20 0 EDADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(c2ccnc3ccccc32)CC1 ZINC000566687709 448540130 /nfs/dbraw/zinc/54/01/30/448540130.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 1 3 328.460 1.669 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123241 448647245 /nfs/dbraw/zinc/64/72/45/448647245.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 1 3 330.476 1.752 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123241 448647250 /nfs/dbraw/zinc/64/72/50/448647250.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 1 3 330.476 1.752 20 0 EDADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548983 448655090 /nfs/dbraw/zinc/65/50/90/448655090.db2.gz PTRXFYRDBPFHCC-ZHALLVOQSA-N 1 3 346.475 1.500 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](c2ccccc2)C1 ZINC000567776628 448758390 /nfs/dbraw/zinc/75/83/90/448758390.db2.gz JNAVJDNSPZXNIG-RBUKOAKNSA-N 1 3 344.503 1.609 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000545884397 448805166 /nfs/dbraw/zinc/80/51/66/448805166.db2.gz NILGCJWLICOSMP-IBGZPJMESA-N 1 3 346.475 1.148 20 0 EDADHO C(N[C@@H]1CCO[C@H]1C1CC1)C1(C[NH2+][C@H]2CCO[C@H]2C2CC2)COC1 ZINC000519577666 448789473 /nfs/dbraw/zinc/78/94/73/448789473.db2.gz JHFRREPALRMVSZ-MHORFTMASA-N 1 3 336.476 1.317 20 0 EDADHO C(N[C@H]1CCO[C@H]1C1CC1)C1(C[NH2+][C@@H]2CCO[C@H]2C2CC2)COC1 ZINC000519577666 448789480 /nfs/dbraw/zinc/78/94/80/448789480.db2.gz JHFRREPALRMVSZ-MHORFTMASA-N 1 3 336.476 1.317 20 0 EDADHO [NH3+][C@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000568254296 448846546 /nfs/dbraw/zinc/84/65/46/448846546.db2.gz ZMHSDPUIBCTARN-RCCFBDPRSA-N 1 3 328.460 1.640 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579732593 448868438 /nfs/dbraw/zinc/86/84/38/448868438.db2.gz WXTUKRBRNURHID-MRXNPFEDSA-N 1 3 343.475 1.695 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558640 448900168 /nfs/dbraw/zinc/90/01/68/448900168.db2.gz LHOLIVVTSFXLQJ-HNNXBMFYSA-N 1 3 339.480 1.524 20 0 EDADHO COCCN(C)C[C@@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849513 448895420 /nfs/dbraw/zinc/89/54/20/448895420.db2.gz ZMELOQRTDLNKHO-DAWZGUTISA-N 1 3 327.513 1.122 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144035 448977279 /nfs/dbraw/zinc/97/72/79/448977279.db2.gz AGMKHGDMUPYMAX-MOPGFXCFSA-N 1 3 342.487 1.990 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000574881115 448979515 /nfs/dbraw/zinc/97/95/15/448979515.db2.gz PXAOLAWNENZFNL-UHFFFAOYSA-N 1 3 332.492 1.703 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000521432992 448985254 /nfs/dbraw/zinc/98/52/54/448985254.db2.gz QYVYFMOCRCKVNR-HNNXBMFYSA-N 1 3 346.475 1.540 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058227 449000475 /nfs/dbraw/zinc/00/04/75/449000475.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058227 449000478 /nfs/dbraw/zinc/00/04/78/449000478.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058227 449000480 /nfs/dbraw/zinc/00/04/80/449000480.db2.gz TYHPEDMWSYKGAZ-FFZOFVMBSA-N 1 3 347.503 1.321 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ncc[nH]3)CC2)CC1 ZINC000575001127 449012116 /nfs/dbraw/zinc/01/21/16/449012116.db2.gz XXYMLFXTGNTZBB-UHFFFAOYSA-N 1 3 333.480 1.564 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000582130819 449019672 /nfs/dbraw/zinc/01/96/72/449019672.db2.gz OUVWOYZUPOPDSF-QGZVFWFLSA-N 1 3 343.475 1.347 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CO)C1CCCCC1)c1ccccc1 ZINC000548442724 449045428 /nfs/dbraw/zinc/04/54/28/449045428.db2.gz SVSLGCFOEYQXJT-RBUKOAKNSA-N 1 3 347.503 1.936 20 0 EDADHO CN(C)[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469700 449615362 /nfs/dbraw/zinc/61/53/62/449615362.db2.gz WCYPLJLLKZTLAR-IQMFZBJNSA-N 1 3 343.537 1.114 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCn1cc(Cl)cn1 ZINC000617504865 449650507 /nfs/dbraw/zinc/65/05/07/449650507.db2.gz NGTIFYGEZWRNOX-ZDUSSCGKSA-N 1 3 329.876 1.315 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCn1cc(Cl)cn1 ZINC000617504865 449650509 /nfs/dbraw/zinc/65/05/09/449650509.db2.gz NGTIFYGEZWRNOX-ZDUSSCGKSA-N 1 3 329.876 1.315 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000617505499 449652224 /nfs/dbraw/zinc/65/22/24/449652224.db2.gz FIRIJMONLXSNKT-IXDOHACOSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000617505499 449652228 /nfs/dbraw/zinc/65/22/28/449652228.db2.gz FIRIJMONLXSNKT-IXDOHACOSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000617502185 449644708 /nfs/dbraw/zinc/64/47/08/449644708.db2.gz GHZMDLSDDJRTAA-GJZGRUSLSA-N 1 3 335.496 1.782 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC000617502185 449644716 /nfs/dbraw/zinc/64/47/16/449644716.db2.gz GHZMDLSDDJRTAA-GJZGRUSLSA-N 1 3 335.496 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000617503594 449646589 /nfs/dbraw/zinc/64/65/89/449646589.db2.gz PVVLQHWESGZVRS-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000617503594 449646596 /nfs/dbraw/zinc/64/65/96/449646596.db2.gz PVVLQHWESGZVRS-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)cc1 ZINC000617503796 449647518 /nfs/dbraw/zinc/64/75/18/449647518.db2.gz ZQTQARBPQITOMP-AWEZNQCLSA-N 1 3 325.428 1.593 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc(F)cc1 ZINC000617503796 449647521 /nfs/dbraw/zinc/64/75/21/449647521.db2.gz ZQTQARBPQITOMP-AWEZNQCLSA-N 1 3 325.428 1.593 20 0 EDADHO C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000608071326 449740903 /nfs/dbraw/zinc/74/09/03/449740903.db2.gz BHKQZXUSRFVDAD-KYJSFNMBSA-N 1 3 331.460 1.726 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000594922954 449809444 /nfs/dbraw/zinc/80/94/44/449809444.db2.gz WFNHIZKLUIHVPA-GDIGMMSISA-N 1 3 346.471 1.931 20 0 EDADHO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000597186386 449861942 /nfs/dbraw/zinc/86/19/42/449861942.db2.gz JLTAOQHPFNNTHO-LEUOFYLZSA-N 1 3 332.444 1.817 20 0 EDADHO C[C@@]1(NC(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000612893049 449930560 /nfs/dbraw/zinc/93/05/60/449930560.db2.gz PSBHFTCWIVPKLP-LJQANCHMSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@]1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC[NH2+]C1 ZINC000612904180 449935441 /nfs/dbraw/zinc/93/54/41/449935441.db2.gz OVIBEBUABWGBCZ-PIMMBPRGSA-N 1 3 348.413 1.843 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000595404194 450117571 /nfs/dbraw/zinc/11/75/71/450117571.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 1 3 342.487 1.894 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000595404194 450117575 /nfs/dbraw/zinc/11/75/75/450117575.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 1 3 342.487 1.894 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623360126 450505041 /nfs/dbraw/zinc/50/50/41/450505041.db2.gz WMGMWHZEZLGKCU-HNNXBMFYSA-N 1 3 339.505 1.899 20 0 EDADHO CN1CC[C@@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395275 450513404 /nfs/dbraw/zinc/51/34/04/450513404.db2.gz FJAQFCOXVAZESE-BEFAXECRSA-N 1 3 344.459 1.704 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623717313 450571705 /nfs/dbraw/zinc/57/17/05/450571705.db2.gz UGNSHSDNROSTJV-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623717313 450571707 /nfs/dbraw/zinc/57/17/07/450571707.db2.gz UGNSHSDNROSTJV-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000629417947 450662528 /nfs/dbraw/zinc/66/25/28/450662528.db2.gz LICNKEFBXYSFQO-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000629416595 450662603 /nfs/dbraw/zinc/66/26/03/450662603.db2.gz QWMLRWACEFDKTJ-KRWDZBQOSA-N 1 3 335.492 1.717 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000629416595 450662606 /nfs/dbraw/zinc/66/26/06/450662606.db2.gz QWMLRWACEFDKTJ-KRWDZBQOSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCCO1 ZINC000623999817 450666311 /nfs/dbraw/zinc/66/63/11/450666311.db2.gz DVEWHUTYJOJMFM-IAGOWNOFSA-N 1 3 325.497 1.330 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cscc1Cl ZINC000635123943 450668211 /nfs/dbraw/zinc/66/82/11/450668211.db2.gz YYKHPZWHWJOHCD-UHFFFAOYSA-N 1 3 346.884 1.292 20 0 EDADHO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119639 450715548 /nfs/dbraw/zinc/71/55/48/450715548.db2.gz GORUWCUIMPRDDP-HUUCEWRRSA-N 1 3 339.505 1.977 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629571513 450742420 /nfs/dbraw/zinc/74/24/20/450742420.db2.gz VNSZRSYIDUEGNE-LPHOPBHVSA-N 1 3 332.492 1.653 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cnn(CCN(C)C)c1 ZINC000633253393 450758837 /nfs/dbraw/zinc/75/88/37/450758837.db2.gz VJNLEOFCNUUAHR-KRWDZBQOSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000621702324 450841307 /nfs/dbraw/zinc/84/13/07/450841307.db2.gz RALYRXCAIVAZJP-KXBFYZLASA-N 1 3 341.455 1.989 20 0 EDADHO N[C@@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834529 450804452 /nfs/dbraw/zinc/80/44/52/450804452.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO N[C@@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834529 450804455 /nfs/dbraw/zinc/80/44/55/450804455.db2.gz ZDYCQRMOFATTTR-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890174 450851955 /nfs/dbraw/zinc/85/19/55/450851955.db2.gz NBSUPOZRKWJUEA-IPMKNSEASA-N 1 3 344.503 1.479 20 0 EDADHO CN(C)CCCS(=O)(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000631931533 450890282 /nfs/dbraw/zinc/89/02/82/450890282.db2.gz KSOYTWDVEVDFBL-QGZVFWFLSA-N 1 3 335.473 1.711 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC000635445196 450947747 /nfs/dbraw/zinc/94/77/47/450947747.db2.gz CILKTZCHENUHRH-ZWKOTPCHSA-N 1 3 335.492 1.620 20 0 EDADHO CN(CCOCC[NH3+])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626939550 451020132 /nfs/dbraw/zinc/02/01/32/451020132.db2.gz IPSXYMHNCGTDBZ-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000626953806 451030651 /nfs/dbraw/zinc/03/06/51/451030651.db2.gz FWLYJNGBBGKHDC-QGZVFWFLSA-N 1 3 346.475 1.568 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000626954673 451032658 /nfs/dbraw/zinc/03/26/58/451032658.db2.gz IOQSWMDKDIWQDS-SFHVURJKSA-N 1 3 348.491 1.576 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000627005915 451070123 /nfs/dbraw/zinc/07/01/23/451070123.db2.gz NXGBGKPZIFUOPR-DLBZAZTESA-N 1 3 334.464 1.309 20 0 EDADHO C[C@H]1[C@H](NC(=O)N(C)CCOCC[NH3+])CCN1Cc1ccccc1 ZINC000627039278 451096882 /nfs/dbraw/zinc/09/68/82/451096882.db2.gz ULKJRWMCZGZFJP-DOTOQJQBSA-N 1 3 334.464 1.266 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CCCN2C)cc1 ZINC000627114838 451131313 /nfs/dbraw/zinc/13/13/13/451131313.db2.gz LHFXSRBMMQQWCU-SZMVWBNQSA-N 1 3 346.475 1.534 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000627178260 451167383 /nfs/dbraw/zinc/16/73/83/451167383.db2.gz RYRIXBRRGBGGOZ-UHFFFAOYSA-N 1 3 338.452 1.121 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632381052 451239392 /nfs/dbraw/zinc/23/93/92/451239392.db2.gz UOQVTEJEHPOSTN-KRWDZBQOSA-N 1 3 345.553 1.902 20 0 EDADHO O=C(CCC1C[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000638113875 451282938 /nfs/dbraw/zinc/28/29/38/451282938.db2.gz FQEJPLCYTXZRNM-UHFFFAOYSA-N 1 3 331.460 1.777 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638152833 451324586 /nfs/dbraw/zinc/32/45/86/451324586.db2.gz RWQCOCYYSASNPN-SFHVURJKSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629664 451367906 /nfs/dbraw/zinc/36/79/06/451367906.db2.gz UVHNHSAHGAYBJN-RYQLBKOJSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636629664 451367909 /nfs/dbraw/zinc/36/79/09/451367909.db2.gz UVHNHSAHGAYBJN-RYQLBKOJSA-N 1 3 346.475 1.188 20 0 EDADHO CN(C)Cc1ccc(C(N)=O)cc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638258054 451384350 /nfs/dbraw/zinc/38/43/50/451384350.db2.gz FIFDPDSJSKSCEU-UHFFFAOYSA-N 1 3 348.491 1.494 20 0 EDADHO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000638358543 451458293 /nfs/dbraw/zinc/45/82/93/451458293.db2.gz FEGWEGQTTBAEHJ-CYBMUJFWSA-N 1 3 329.510 1.311 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388969 451480435 /nfs/dbraw/zinc/48/04/35/451480435.db2.gz KSJNYBTZRHUYBV-SFHVURJKSA-N 1 3 344.434 1.360 20 0 EDADHO O[C@]1(CNCCOC[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704708 451481228 /nfs/dbraw/zinc/48/12/28/451481228.db2.gz OJJCTLLACSYSNK-OALUTQOASA-N 1 3 334.460 1.266 20 0 EDADHO O[C@]1(CNCCOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704708 451481231 /nfs/dbraw/zinc/48/12/31/451481231.db2.gz OJJCTLLACSYSNK-OALUTQOASA-N 1 3 334.460 1.266 20 0 EDADHO C[C@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729538 451510168 /nfs/dbraw/zinc/51/01/68/451510168.db2.gz NZUGDTZPQPQHQA-CZUORRHYSA-N 1 3 340.489 1.238 20 0 EDADHO C[C@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729538 451510174 /nfs/dbraw/zinc/51/01/74/451510174.db2.gz NZUGDTZPQPQHQA-CZUORRHYSA-N 1 3 340.489 1.238 20 0 EDADHO COc1cc(F)cc(OC)c1CNC1CC[NH+](CCN(C)C)CC1 ZINC000631039031 451546393 /nfs/dbraw/zinc/54/63/93/451546393.db2.gz AZSIRENBVSHPRK-UHFFFAOYSA-N 1 3 339.455 1.959 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000638526777 451558710 /nfs/dbraw/zinc/55/87/10/451558710.db2.gz PSRSZZIUAYSIOF-IRXDYDNUSA-N 1 3 344.459 1.447 20 0 EDADHO CO[C@@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@H]1CCOC1 ZINC000638694010 451657747 /nfs/dbraw/zinc/65/77/47/451657747.db2.gz YPZUCWARSSPBSX-ROUUACIJSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000638783090 451689868 /nfs/dbraw/zinc/68/98/68/451689868.db2.gz HILFLJARYFRAQK-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)C[C@H](NC(=O)COCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638831188 451704818 /nfs/dbraw/zinc/70/48/18/451704818.db2.gz JLHLMLLKIGSZIS-ZDUSSCGKSA-N 1 3 333.354 1.400 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000632962155 451670765 /nfs/dbraw/zinc/67/07/65/451670765.db2.gz YHARIOZOYLZUOV-XJKSGUPXSA-N 1 3 332.452 1.366 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H](OC)C1CCOCC1 ZINC000639171024 451784435 /nfs/dbraw/zinc/78/44/35/451784435.db2.gz OJHXZWXKRLIEAD-RBUKOAKNSA-N 1 3 341.540 1.776 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H](OC)C1CCOCC1 ZINC000639171024 451784437 /nfs/dbraw/zinc/78/44/37/451784437.db2.gz OJHXZWXKRLIEAD-RBUKOAKNSA-N 1 3 341.540 1.776 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)N1CCOCC1 ZINC000639169920 451784602 /nfs/dbraw/zinc/78/46/02/451784602.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 1 3 326.529 1.055 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)N1CCOCC1 ZINC000639169920 451784604 /nfs/dbraw/zinc/78/46/04/451784604.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 1 3 326.529 1.055 20 0 EDADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000649072007 451808149 /nfs/dbraw/zinc/80/81/49/451808149.db2.gz WVHCRNBRPYACCS-NVXWUHKLSA-N 1 3 346.475 1.258 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000644561609 451861237 /nfs/dbraw/zinc/86/12/37/451861237.db2.gz CHGMUDJGKGTHDM-PKOBYXMFSA-N 1 3 335.467 1.487 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000646847548 451885364 /nfs/dbraw/zinc/88/53/64/451885364.db2.gz ABCGEVMALPJZEC-MAUKXSAKSA-N 1 3 331.460 1.473 20 0 EDADHO Cn1ccnc1[C@H]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639566211 451947848 /nfs/dbraw/zinc/94/78/48/451947848.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 1 3 340.471 1.846 20 0 EDADHO Cn1ccnc1[C@H]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639566211 451947853 /nfs/dbraw/zinc/94/78/53/451947853.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 1 3 340.471 1.846 20 0 EDADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)CC1 ZINC000649288288 451962254 /nfs/dbraw/zinc/96/22/54/451962254.db2.gz IOHUCZBWKYDHPD-LJQANCHMSA-N 1 3 330.476 1.890 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2(C)CNC2)C1 ZINC000649288338 451962595 /nfs/dbraw/zinc/96/25/95/451962595.db2.gz LBKQLQOMMZEPGU-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2(C)CNC2)C1 ZINC000649288338 451962601 /nfs/dbraw/zinc/96/26/01/451962601.db2.gz LBKQLQOMMZEPGU-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO COc1cc(CNC(=O)[C@H]2[NH2+]CC2(C)C)ccc1OCCN(C)C ZINC000649302081 451978490 /nfs/dbraw/zinc/97/84/90/451978490.db2.gz TYCUVPLBLJBGAP-MRXNPFEDSA-N 1 3 335.448 1.250 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649310482 451987476 /nfs/dbraw/zinc/98/74/76/451987476.db2.gz MJKSCWOKIWDPOJ-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000649310482 451987478 /nfs/dbraw/zinc/98/74/78/451987478.db2.gz MJKSCWOKIWDPOJ-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)COC3(C)CNC3)cc21 ZINC000649338586 452018917 /nfs/dbraw/zinc/01/89/17/452018917.db2.gz NEVYFAMIMMRAOY-UHFFFAOYSA-N 1 3 330.432 1.520 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000649412064 452075478 /nfs/dbraw/zinc/07/54/78/452075478.db2.gz HCNYNRSHQPAJEF-AABGKKOBSA-N 1 3 347.503 1.104 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000649412064 452075483 /nfs/dbraw/zinc/07/54/83/452075483.db2.gz HCNYNRSHQPAJEF-AABGKKOBSA-N 1 3 347.503 1.104 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000649412064 452075488 /nfs/dbraw/zinc/07/54/88/452075488.db2.gz HCNYNRSHQPAJEF-AABGKKOBSA-N 1 3 347.503 1.104 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000637804096 452090738 /nfs/dbraw/zinc/09/07/38/452090738.db2.gz LWAMTUCXXAJUDX-IAGOWNOFSA-N 1 3 343.427 1.390 20 0 EDADHO COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](N)c2ccccc2OC)c1 ZINC000637804096 452090744 /nfs/dbraw/zinc/09/07/44/452090744.db2.gz LWAMTUCXXAJUDX-IAGOWNOFSA-N 1 3 343.427 1.390 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762180 452100992 /nfs/dbraw/zinc/10/09/92/452100992.db2.gz HHJGBFNZEOARDP-QFBILLFUSA-N 1 3 339.524 1.660 20 0 EDADHO COC[C@@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000651830292 452102881 /nfs/dbraw/zinc/10/28/81/452102881.db2.gz KCCLVHJVDDHLAZ-QGZVFWFLSA-N 1 3 341.540 1.824 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763456 452103765 /nfs/dbraw/zinc/10/37/65/452103765.db2.gz QSMIDBWCGGUKBH-VQTJNVASSA-N 1 3 347.503 1.012 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763456 452103770 /nfs/dbraw/zinc/10/37/70/452103770.db2.gz QSMIDBWCGGUKBH-VQTJNVASSA-N 1 3 347.503 1.012 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C[C@H](C)N1 ZINC000637840098 452110461 /nfs/dbraw/zinc/11/04/61/452110461.db2.gz NLUCRUNZMWCVQZ-BETUJISGSA-N 1 3 345.447 1.126 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221288 452217275 /nfs/dbraw/zinc/21/72/75/452217275.db2.gz LQWMHIGEPZNAKU-FRQCXROJSA-N 1 3 344.459 1.263 20 0 EDADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550785 452278050 /nfs/dbraw/zinc/27/80/50/452278050.db2.gz GPUSKJYZKXJXGN-YJBOKZPZSA-N 1 3 345.487 1.816 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659437795 452284758 /nfs/dbraw/zinc/28/47/58/452284758.db2.gz IDKWFAGZVPEEHO-KRWDZBQOSA-N 1 3 340.512 1.376 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000643531946 452295788 /nfs/dbraw/zinc/29/57/88/452295788.db2.gz DIDYCRMMZZKWBV-HOTGVXAUSA-N 1 3 340.512 1.153 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000659450084 452300837 /nfs/dbraw/zinc/30/08/37/452300837.db2.gz GUFUGWXQOAYLHV-AWEZNQCLSA-N 1 3 334.464 1.050 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659457348 452311153 /nfs/dbraw/zinc/31/11/53/452311153.db2.gz ZRDIIHWPZLSXEJ-SZMVWBNQSA-N 1 3 346.450 1.807 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458838 452312713 /nfs/dbraw/zinc/31/27/13/452312713.db2.gz ALJSXYRCKNRDRQ-KRWDZBQOSA-N 1 3 340.512 1.376 20 0 EDADHO CCN1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652119536 452315604 /nfs/dbraw/zinc/31/56/04/452315604.db2.gz JOTLTKPBLISMFP-YQQAZPJKSA-N 1 3 338.496 1.399 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C[C@H](O)CN(C)CCOC)CC1 ZINC000639986423 452317655 /nfs/dbraw/zinc/31/76/55/452317655.db2.gz MKQRUGOAHWIZAX-QGZVFWFLSA-N 1 3 327.513 1.266 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000665759518 452326854 /nfs/dbraw/zinc/32/68/54/452326854.db2.gz JERWNPBKKYZBIU-JZXOWHBKSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000665759518 452326861 /nfs/dbraw/zinc/32/68/61/452326861.db2.gz JERWNPBKKYZBIU-JZXOWHBKSA-N 1 3 342.528 1.499 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)C1 ZINC000665762511 452339880 /nfs/dbraw/zinc/33/98/80/452339880.db2.gz GWTJRWULESZNLZ-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)C1 ZINC000665762511 452339884 /nfs/dbraw/zinc/33/98/84/452339884.db2.gz GWTJRWULESZNLZ-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000659485181 452345887 /nfs/dbraw/zinc/34/58/87/452345887.db2.gz KKWFJHTULVHYAZ-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO CCCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(C)C1 ZINC000645393080 452365861 /nfs/dbraw/zinc/36/58/61/452365861.db2.gz HWRQIXSQFGTFHB-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659506224 452371082 /nfs/dbraw/zinc/37/10/82/452371082.db2.gz MNIJMHGKPNDRMY-SFHVURJKSA-N 1 3 346.475 1.195 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659511607 452375367 /nfs/dbraw/zinc/37/53/67/452375367.db2.gz HKXHUAQLRUDACF-UHFFFAOYSA-N 1 3 347.507 1.981 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545332 452403908 /nfs/dbraw/zinc/40/39/08/452403908.db2.gz ZSKNWVIVWVHUHV-ZTFGCOKTSA-N 1 3 346.475 1.193 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507475 452476395 /nfs/dbraw/zinc/47/63/95/452476395.db2.gz ODQLIARVPKNYMY-SFHVURJKSA-N 1 3 344.503 1.438 20 0 EDADHO C([C@H]1CCOC1)N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655725942 452540000 /nfs/dbraw/zinc/54/00/00/452540000.db2.gz NZRYTVBKGLOFNE-APWZRJJASA-N 1 3 337.508 1.330 20 0 EDADHO COC[C@@H](CC1CCOCC1)[NH2+]CCCCN1CCN(C)CC1 ZINC000657835754 452558490 /nfs/dbraw/zinc/55/84/90/452558490.db2.gz OFPHJHIORZGMSC-GOSISDBHSA-N 1 3 327.513 1.435 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1(C)C ZINC000655762733 452564253 /nfs/dbraw/zinc/56/42/53/452564253.db2.gz IIZMKGAQRADCTC-GOSISDBHSA-N 1 3 338.540 1.245 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000652460615 452655668 /nfs/dbraw/zinc/65/56/68/452655668.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000652460615 452655673 /nfs/dbraw/zinc/65/56/73/452655673.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 1 3 340.512 1.022 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)c2ccn(CCN(C)C)n2)([NH+](C)C)C1 ZINC000654573827 452658412 /nfs/dbraw/zinc/65/84/12/452658412.db2.gz PIFLDGJRULTLPF-YJBOKZPZSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]1CN(CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990202 452733888 /nfs/dbraw/zinc/73/38/88/452733888.db2.gz FOBRHBONYLNBEG-HNNXBMFYSA-N 1 3 343.479 1.415 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000659879275 452754282 /nfs/dbraw/zinc/75/42/82/452754282.db2.gz VIIZAOGEUSEGDM-QZTJIDSGSA-N 1 3 336.524 1.204 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655973862 452756934 /nfs/dbraw/zinc/75/69/34/452756934.db2.gz JSZOTWSJCVIHJB-DLBZAZTESA-N 1 3 338.496 1.543 20 0 EDADHO CCN(C(=O)NC[C@H]1CCCN1CCOC)[C@H]1CC[N@H+](CC)C1 ZINC000664066294 452759170 /nfs/dbraw/zinc/75/91/70/452759170.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(C(=O)NC[C@H]1CCCN1CCOC)[C@H]1CC[N@@H+](CC)C1 ZINC000664066294 452759176 /nfs/dbraw/zinc/75/91/76/452759176.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO COc1cccc(SCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000662243053 452970143 /nfs/dbraw/zinc/97/01/43/452970143.db2.gz KUBSQQKQHZSHPE-CQSZACIVSA-N 1 3 337.489 1.574 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCc2nsc3ccccc23)C1 ZINC000662242772 452970625 /nfs/dbraw/zinc/97/06/25/452970625.db2.gz JAAGCAWNAQFLHW-ZDUSSCGKSA-N 1 3 332.473 1.626 20 0 EDADHO CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252684 452980182 /nfs/dbraw/zinc/98/01/82/452980182.db2.gz RHRFBAFDAXVBRJ-QGZVFWFLSA-N 1 3 329.444 1.532 20 0 EDADHO NC(=O)C1(c2ccccc2)CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662254725 452983047 /nfs/dbraw/zinc/98/30/47/452983047.db2.gz KGFHXRISAMJYHW-INIZCTEOSA-N 1 3 329.444 1.027 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H]2CCC3(CNC3)O2)[C@H]1c1ccc(F)c(F)c1 ZINC000662281043 453004345 /nfs/dbraw/zinc/00/43/45/453004345.db2.gz HRGFMBHEIGITGJ-XOKHGSTOSA-N 1 3 337.414 1.821 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000662281531 453007175 /nfs/dbraw/zinc/00/71/75/453007175.db2.gz NCAXOVAXGYRIEZ-HUUCEWRRSA-N 1 3 336.484 1.189 20 0 EDADHO N[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414030 453123310 /nfs/dbraw/zinc/12/33/10/453123310.db2.gz TYDYAHXTJMZNLX-HUUCEWRRSA-N 1 3 328.420 1.023 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666837651 453180955 /nfs/dbraw/zinc/18/09/55/453180955.db2.gz LECPDKDCDYWNAU-OAHLLOKOSA-N 1 3 332.448 1.274 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666837651 453180963 /nfs/dbraw/zinc/18/09/63/453180963.db2.gz LECPDKDCDYWNAU-OAHLLOKOSA-N 1 3 332.448 1.274 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCCOC4)CC2)CC1 ZINC000655080775 453203159 /nfs/dbraw/zinc/20/31/59/453203159.db2.gz UKNUAVALXYNEQW-UHFFFAOYSA-N 1 3 349.519 1.822 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662488738 453206895 /nfs/dbraw/zinc/20/68/95/453206895.db2.gz VINJUWDKFDAJCU-AWEZNQCLSA-N 1 3 349.479 1.106 20 0 EDADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000653111132 453298335 /nfs/dbraw/zinc/29/83/35/453298335.db2.gz FMHRSEHFJYLELV-ZWKOTPCHSA-N 1 3 332.492 1.388 20 0 EDADHO CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000653113205 453299061 /nfs/dbraw/zinc/29/90/61/453299061.db2.gz WETFSSWSFCKQEM-NZSAHSFTSA-N 1 3 346.519 1.949 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000653113387 453299511 /nfs/dbraw/zinc/29/95/11/453299511.db2.gz AUBARHFNBPUEOO-HOCLYGCPSA-N 1 3 338.521 1.355 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000653113386 453299661 /nfs/dbraw/zinc/29/96/61/453299661.db2.gz AUBARHFNBPUEOO-GOEBONIOSA-N 1 3 338.521 1.355 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H]1c1cccs1 ZINC000653121994 453312488 /nfs/dbraw/zinc/31/24/88/453312488.db2.gz IEOYFMFVLVDGRJ-KKBFJZEXSA-N 1 3 349.500 1.483 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588866 453315973 /nfs/dbraw/zinc/31/59/73/453315973.db2.gz FRYJVLHXEBVFJP-FCEWJHQRSA-N 1 3 337.508 1.757 20 0 EDADHO NCc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc(C(F)(F)F)c1 ZINC000653136284 453327071 /nfs/dbraw/zinc/32/70/71/453327071.db2.gz IWLVVYLRCPFFOO-FZMZJTMJSA-N 1 3 329.322 1.339 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653148571 453336848 /nfs/dbraw/zinc/33/68/48/453336848.db2.gz CXEXFRFGWWQMKO-ZWKOTPCHSA-N 1 3 334.508 1.003 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653152207 453340760 /nfs/dbraw/zinc/34/07/60/453340760.db2.gz FLZYNUCTVOYFFE-ROUUACIJSA-N 1 3 328.460 1.945 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(COC)CC3)CC2)CC1 ZINC000655252077 453375873 /nfs/dbraw/zinc/37/58/73/453375873.db2.gz FOGDIRTXOQREFQ-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000664895250 453470299 /nfs/dbraw/zinc/47/02/99/453470299.db2.gz CUGXMXPQMWWJME-HNNXBMFYSA-N 1 3 333.480 1.543 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c(C)c2)CC1 ZINC000662754552 453489939 /nfs/dbraw/zinc/48/99/39/453489939.db2.gz QOARMWDFXFVUPK-AEFFLSMTSA-N 1 3 346.475 1.439 20 0 EDADHO CCCN1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000660704542 453530654 /nfs/dbraw/zinc/53/06/54/453530654.db2.gz VGPCXMWPZLXBLC-INIZCTEOSA-N 1 3 338.496 1.415 20 0 EDADHO [NH3+]C1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000662860426 453575251 /nfs/dbraw/zinc/57/52/51/453575251.db2.gz RWLQROLCBPXXFF-QGZVFWFLSA-N 1 3 331.460 1.531 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665283225 453634431 /nfs/dbraw/zinc/63/44/31/453634431.db2.gz JKNUOVWPTJJESJ-XUVXKRRUSA-N 1 3 330.520 1.910 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000665283225 453634435 /nfs/dbraw/zinc/63/44/35/453634435.db2.gz JKNUOVWPTJJESJ-XUVXKRRUSA-N 1 3 330.520 1.910 20 0 EDADHO [NH3+]C1(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)Cc2ccccc2C1 ZINC000659365363 453729604 /nfs/dbraw/zinc/72/96/04/453729604.db2.gz GWEVUIQYVYINQQ-SFHVURJKSA-N 1 3 337.423 1.782 20 0 EDADHO COc1cccc(C2([NH2+]C[C@H]3CCCN(C(=O)CN)C3)CCC2)c1 ZINC000663502178 453811278 /nfs/dbraw/zinc/81/12/78/453811278.db2.gz DHDSBKSIMYGYEG-OAHLLOKOSA-N 1 3 331.460 1.861 20 0 EDADHO CC(C)C[C@H]([NH3+])CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512950 453813651 /nfs/dbraw/zinc/81/36/51/453813651.db2.gz HXGBFEYGABJRSA-HOTGVXAUSA-N 1 3 334.512 1.372 20 0 EDADHO C[C@@H]1COCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000676499106 486787900 /nfs/dbraw/zinc/78/79/00/486787900.db2.gz NACITXZWZXQEEU-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000676676264 486840714 /nfs/dbraw/zinc/84/07/14/486840714.db2.gz RKSGDSPSXJVDEE-INIZCTEOSA-N 1 3 347.459 1.216 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667802633 486972426 /nfs/dbraw/zinc/97/24/26/486972426.db2.gz XGCBRLHXTOVISP-SUMWQHHRSA-N 1 3 329.448 1.818 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000674329382 487238757 /nfs/dbraw/zinc/23/87/57/487238757.db2.gz XPUGLNFFMCSVNS-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000675196157 486059859 /nfs/dbraw/zinc/05/98/59/486059859.db2.gz ZMHPPHGJXJYPTG-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000669508802 486291601 /nfs/dbraw/zinc/29/16/01/486291601.db2.gz PIRIAWCSNOCNDS-NVXWUHKLSA-N 1 3 327.428 1.771 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173915714 528964523 /nfs/dbraw/zinc/96/45/23/528964523.db2.gz XPJXVPVUQHFYOV-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262048409 535906035 /nfs/dbraw/zinc/90/60/35/535906035.db2.gz ZICKFLPCLXPLPU-AQNXPRMDSA-N 1 3 347.503 1.874 20 0 EDADHO CN(C)Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[NH2+]3)n2)cc1 ZINC000261710266 535993648 /nfs/dbraw/zinc/99/36/48/535993648.db2.gz IVJIMTUAQPTIPA-CQSZACIVSA-N 1 3 329.404 1.166 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC2CCC(C[NH3+])CC2)cc1 ZINC000345208216 536018949 /nfs/dbraw/zinc/01/89/49/536018949.db2.gz PMGHOLXUUZQOGW-UHFFFAOYSA-N 1 3 339.505 1.792 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C3(N)CCCC3)nc2)CC1 ZINC000262662061 536115115 /nfs/dbraw/zinc/11/51/15/536115115.db2.gz YNERULZKCKECPY-UHFFFAOYSA-N 1 3 331.464 1.822 20 0 EDADHO CN1CCN(CCCCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727074650 578515251 /nfs/dbraw/zinc/51/52/51/578515251.db2.gz MUHQRSACTOTBFZ-UHFFFAOYSA-N 1 3 343.585 1.066 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C(C)C ZINC000734276088 578804518 /nfs/dbraw/zinc/80/45/18/578804518.db2.gz GTYPCPAZDVGEQS-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C(C)C ZINC000734276088 578804519 /nfs/dbraw/zinc/80/45/19/578804519.db2.gz GTYPCPAZDVGEQS-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@]1(N(C)C)CCSC1 ZINC000748603437 579694866 /nfs/dbraw/zinc/69/48/66/579694866.db2.gz VVBHLZVGKGRSOT-DZGCQCFKSA-N 1 3 330.567 1.372 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@]1(N(C)C)CCSC1 ZINC000748603437 579694867 /nfs/dbraw/zinc/69/48/67/579694867.db2.gz VVBHLZVGKGRSOT-DZGCQCFKSA-N 1 3 330.567 1.372 20 0 EDADHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775386978 580389863 /nfs/dbraw/zinc/38/98/63/580389863.db2.gz UZNFWBQBVZZGQA-OWCLPIDISA-N 1 3 329.579 1.983 20 0 EDADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000776637868 580425065 /nfs/dbraw/zinc/42/50/65/580425065.db2.gz HDHISAPHJCSIAO-HQWZXOHUSA-N 1 3 343.471 1.993 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000787668235 580701201 /nfs/dbraw/zinc/70/12/01/580701201.db2.gz DVBATGKKJAWREH-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)CCNC(=S)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798372812 580995638 /nfs/dbraw/zinc/99/56/38/580995638.db2.gz NZPMBTPYIJRZAK-SFHVURJKSA-N 1 3 334.533 1.924 20 0 EDADHO CN(C)CCNC(=S)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798372812 580995639 /nfs/dbraw/zinc/99/56/39/580995639.db2.gz NZPMBTPYIJRZAK-SFHVURJKSA-N 1 3 334.533 1.924 20 0 EDADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC1(O)CC[NH+](C)CC1 ZINC000893036865 590630775 /nfs/dbraw/zinc/63/07/75/590630775.db2.gz CISNWVIHSXDBPD-UHFFFAOYSA-N 1 3 346.397 1.713 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000890878509 590828424 /nfs/dbraw/zinc/82/84/24/590828424.db2.gz CCASGNIXPNGPHP-DLBZAZTESA-N 1 3 349.523 1.502 20 0 EDADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000892157657 590829383 /nfs/dbraw/zinc/82/93/83/590829383.db2.gz UOMPUFLUINJIGA-ZDUSSCGKSA-N 1 3 330.423 1.644 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000893451084 590879850 /nfs/dbraw/zinc/87/98/50/590879850.db2.gz CMFLSRJZMSHSBR-HZMVEIRTSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892429403 591025014 /nfs/dbraw/zinc/02/50/14/591025014.db2.gz SHPXKRLRKFGFPK-JYJNAYRXSA-N 1 3 331.464 1.819 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530590 591060771 /nfs/dbraw/zinc/06/07/71/591060771.db2.gz RVYXFKSFOBHGKH-UYAOXDASSA-N 1 3 342.487 1.964 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891447515 591074950 /nfs/dbraw/zinc/07/49/50/591074950.db2.gz AKOLNYNFQRPAGR-SQNIBIBYSA-N 1 3 328.460 1.654 20 0 EDADHO C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)N1CCc2ccccc2C1 ZINC000891447785 591075181 /nfs/dbraw/zinc/07/51/81/591075181.db2.gz XLLPFMYONRETAK-AWEZNQCLSA-N 1 3 339.443 1.910 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892575391 591078335 /nfs/dbraw/zinc/07/83/35/591078335.db2.gz VFNASOVUWCZRKH-OWCLPIDISA-N 1 3 329.460 1.236 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 ZINC000891521947 591105795 /nfs/dbraw/zinc/10/57/95/591105795.db2.gz FRJIFVOYFQSMIC-IAGOWNOFSA-N 1 3 338.496 1.100 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NCCN2CC[C@H](C)C2)CC1 ZINC000892685902 591130105 /nfs/dbraw/zinc/13/01/05/591130105.db2.gz DQLAZQMSDWBPFL-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891579642 591134010 /nfs/dbraw/zinc/13/40/10/591134010.db2.gz HSBKNSFIMGUCKU-MRXNPFEDSA-N 1 3 339.528 1.091 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000891597410 591141910 /nfs/dbraw/zinc/14/19/10/591141910.db2.gz OSLKJMUFBRZLFA-YXWQFLTLSA-N 1 3 334.489 1.887 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC1(C)C ZINC000892791094 591177483 /nfs/dbraw/zinc/17/74/83/591177483.db2.gz KFXNXKWVJUUJEV-KRWDZBQOSA-N 1 3 330.476 1.827 20 0 EDADHO C[N@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CCC1(C)C ZINC000892791094 591177486 /nfs/dbraw/zinc/17/74/86/591177486.db2.gz KFXNXKWVJUUJEV-KRWDZBQOSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891673337 591179862 /nfs/dbraw/zinc/17/98/62/591179862.db2.gz KNQJEZDJMOSDHA-HFTRVMKXSA-N 1 3 330.476 1.728 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000892790196 591179913 /nfs/dbraw/zinc/17/99/13/591179913.db2.gz ZFQSKEVCXYEDSN-SFHVURJKSA-N 1 3 342.487 1.876 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CCCN(C)C2)CCCO1 ZINC000894447893 591314302 /nfs/dbraw/zinc/31/43/02/591314302.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCCN(C)C2)CCCO1 ZINC000894447893 591314305 /nfs/dbraw/zinc/31/43/05/591314305.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359851 /nfs/dbraw/zinc/35/98/51/591359851.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 1 3 345.487 1.906 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359855 /nfs/dbraw/zinc/35/98/55/591359855.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 1 3 345.487 1.906 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@]23CC(=O)N[C@H]2CCCC3)cc1 ZINC000898467438 591366709 /nfs/dbraw/zinc/36/67/09/591366709.db2.gz LUPNFAGPMOJIDS-PKOBYXMFSA-N 1 3 331.460 1.918 20 0 EDADHO CCO[C@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879951 591645399 /nfs/dbraw/zinc/64/53/99/591645399.db2.gz JIUFVJXFAMYXML-GOEBONIOSA-N 1 3 342.505 1.750 20 0 EDADHO C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000898120939 591788842 /nfs/dbraw/zinc/78/88/42/591788842.db2.gz DLKZTRFMBNXKNX-OWCLPIDISA-N 1 3 337.508 1.601 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000900599172 592064915 /nfs/dbraw/zinc/06/49/15/592064915.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CC1 ZINC000900599172 592064918 /nfs/dbraw/zinc/06/49/18/592064918.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CC1CCC(NC(=O)CONC(=N)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000902810941 592068422 /nfs/dbraw/zinc/06/84/22/592068422.db2.gz FIWIMUXHBOAGCA-PFSRBDOWSA-N 1 3 338.452 1.043 20 0 EDADHO CC1CCC(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000902810941 592068425 /nfs/dbraw/zinc/06/84/25/592068425.db2.gz FIWIMUXHBOAGCA-PFSRBDOWSA-N 1 3 338.452 1.043 20 0 EDADHO CC1CCC(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000902810941 592068427 /nfs/dbraw/zinc/06/84/27/592068427.db2.gz FIWIMUXHBOAGCA-PFSRBDOWSA-N 1 3 338.452 1.043 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCO[C@]23CCOC3)cc1 ZINC000903090897 592118542 /nfs/dbraw/zinc/11/85/42/592118542.db2.gz IWHXHLAUMQVOAE-MOPGFXCFSA-N 1 3 334.460 1.707 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801411 592142004 /nfs/dbraw/zinc/14/20/04/592142004.db2.gz QSJQMOHNYGPULK-QZTJIDSGSA-N 1 3 338.540 1.734 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000900801411 592142007 /nfs/dbraw/zinc/14/20/07/592142007.db2.gz QSJQMOHNYGPULK-QZTJIDSGSA-N 1 3 338.540 1.734 20 0 EDADHO c1ccc([C@H](NC2CC[NH+](CCN3CCOCC3)CC2)C2CC2)nc1 ZINC000903339901 592156032 /nfs/dbraw/zinc/15/60/32/592156032.db2.gz OLXZUTGUFQSLRB-HXUWFJFHSA-N 1 3 344.503 1.919 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903500197 592180025 /nfs/dbraw/zinc/18/00/25/592180025.db2.gz VITAQQCJRPDPIW-JKIFEVAISA-N 1 3 347.459 1.395 20 0 EDADHO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495877 592187894 /nfs/dbraw/zinc/18/78/94/592187894.db2.gz AZGFQZIOJFZPOP-KLHDSHLOSA-N 1 3 347.459 1.248 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510107 592190756 /nfs/dbraw/zinc/19/07/56/592190756.db2.gz ORXIVOSMACLCOO-JCGIZDLHSA-N 1 3 336.524 1.580 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510107 592190759 /nfs/dbraw/zinc/19/07/59/592190759.db2.gz ORXIVOSMACLCOO-JCGIZDLHSA-N 1 3 336.524 1.580 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)N1CCCCCC1 ZINC000903513181 592191631 /nfs/dbraw/zinc/19/16/31/592191631.db2.gz WIWYYDZLMQBDTN-HDICACEKSA-N 1 3 334.508 1.290 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)N1CCCCCC1 ZINC000903513181 592191633 /nfs/dbraw/zinc/19/16/33/592191633.db2.gz WIWYYDZLMQBDTN-HDICACEKSA-N 1 3 334.508 1.290 20 0 EDADHO COCc1noc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903507096 592198924 /nfs/dbraw/zinc/19/89/24/592198924.db2.gz MWARZMIFGONRPL-YUELXQCFSA-N 1 3 335.452 1.178 20 0 EDADHO COCc1noc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903507096 592198925 /nfs/dbraw/zinc/19/89/25/592198925.db2.gz MWARZMIFGONRPL-YUELXQCFSA-N 1 3 335.452 1.178 20 0 EDADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904336206 592233465 /nfs/dbraw/zinc/23/34/65/592233465.db2.gz DXEUTUCFNBGDGY-FMKPAKJESA-N 1 3 334.439 1.508 20 0 EDADHO CC(C)N(C)c1cnn([C@H]2CCCN(C[C@H]3C[C@@H]([NH3+])C3)C2)c(=O)c1 ZINC000904347792 592235934 /nfs/dbraw/zinc/23/59/34/592235934.db2.gz KHUDCPULXBBGBG-XHSDSOJGSA-N 1 3 333.480 1.462 20 0 EDADHO [NH3+]CCN1CCC(NCc2cc(F)ccc2N2CCOCC2)CC1 ZINC000904359565 592237525 /nfs/dbraw/zinc/23/75/25/592237525.db2.gz BRBSKXYXCWKJGZ-UHFFFAOYSA-N 1 3 336.455 1.175 20 0 EDADHO COc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(OC)c1O ZINC000904393278 592244351 /nfs/dbraw/zinc/24/43/51/592244351.db2.gz PDBKWQBUGGEHRJ-AWEZNQCLSA-N 1 3 336.432 1.739 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H](N)CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377194 592245543 /nfs/dbraw/zinc/24/55/43/592245543.db2.gz KSIXOLVNRVYCME-OWCLPIDISA-N 1 3 325.497 1.567 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H](N)CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377194 592245545 /nfs/dbraw/zinc/24/55/45/592245545.db2.gz KSIXOLVNRVYCME-OWCLPIDISA-N 1 3 325.497 1.567 20 0 EDADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664591 592246967 /nfs/dbraw/zinc/24/69/67/592246967.db2.gz MFGDCUISEGFXES-CZUORRHYSA-N 1 3 344.459 1.514 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccccc3CN)C2)CC1 ZINC000906658837 592269059 /nfs/dbraw/zinc/26/90/59/592269059.db2.gz RZDZRXGIXDOAQQ-INIZCTEOSA-N 1 3 344.459 1.274 20 0 EDADHO Cc1nc(CN(C)[C@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741692 592303252 /nfs/dbraw/zinc/30/32/52/592303252.db2.gz RLYIZXSELULUJT-JKSUJKDBSA-N 1 3 349.479 1.043 20 0 EDADHO COCC(COC)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000903767638 592310182 /nfs/dbraw/zinc/31/01/82/592310182.db2.gz YNSIZZVKOVSXQD-UHFFFAOYSA-N 1 3 336.480 1.718 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000908115134 592328131 /nfs/dbraw/zinc/32/81/31/592328131.db2.gz MMPGPKMQOONUTD-XLAORIBOSA-N 1 3 335.492 1.715 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000908115134 592328134 /nfs/dbraw/zinc/32/81/34/592328134.db2.gz MMPGPKMQOONUTD-XLAORIBOSA-N 1 3 335.492 1.715 20 0 EDADHO CCCC(=O)NC[C@@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888577 592351797 /nfs/dbraw/zinc/35/17/97/592351797.db2.gz GLYRZQOIXRYYLC-DLBZAZTESA-N 1 3 349.523 1.474 20 0 EDADHO C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2cc(F)ccc2CN1 ZINC000903918490 592376443 /nfs/dbraw/zinc/37/64/43/592376443.db2.gz AKULUHIURSWMRZ-XJKSGUPXSA-N 1 3 344.438 1.840 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cnn1C ZINC000903929231 592382877 /nfs/dbraw/zinc/38/28/77/592382877.db2.gz CKTVRSQQCIRRKA-FUHWJXTLSA-N 1 3 347.507 1.323 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cnn1C ZINC000903929231 592382883 /nfs/dbraw/zinc/38/28/83/592382883.db2.gz CKTVRSQQCIRRKA-FUHWJXTLSA-N 1 3 347.507 1.323 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)CC2(O)CCCC2)c1 ZINC000905088138 592393184 /nfs/dbraw/zinc/39/31/84/592393184.db2.gz HKOCVHNNWWSFLS-QGZVFWFLSA-N 1 3 336.476 1.773 20 0 EDADHO CCOc1cc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1OC ZINC000903979254 592400707 /nfs/dbraw/zinc/40/07/07/592400707.db2.gz ZNOCZNLMOTUZCA-KHYOSLBOSA-N 1 3 348.443 1.806 20 0 EDADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000903967710 592403003 /nfs/dbraw/zinc/40/30/03/592403003.db2.gz LLXAIZXNWALSSN-MCIONIFRSA-N 1 3 335.448 1.866 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229305 592458833 /nfs/dbraw/zinc/45/88/33/592458833.db2.gz AMFGSLYVRYADGC-IRXDYDNUSA-N 1 3 328.497 1.523 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229305 592458835 /nfs/dbraw/zinc/45/88/35/592458835.db2.gz AMFGSLYVRYADGC-IRXDYDNUSA-N 1 3 328.497 1.523 20 0 EDADHO Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000905700456 592613928 /nfs/dbraw/zinc/61/39/28/592613928.db2.gz LCCDNZOKJRXDRB-GASCZTMLSA-N 1 3 326.448 1.671 20 0 EDADHO Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000905700456 592613931 /nfs/dbraw/zinc/61/39/31/592613931.db2.gz LCCDNZOKJRXDRB-GASCZTMLSA-N 1 3 326.448 1.671 20 0 EDADHO Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000905700456 592613933 /nfs/dbraw/zinc/61/39/33/592613933.db2.gz LCCDNZOKJRXDRB-GASCZTMLSA-N 1 3 326.448 1.671 20 0 EDADHO CN1CC[N@H+](C)CC(C(=O)Nc2ccccc2Nc2ccncc2)C1 ZINC000907880709 592827594 /nfs/dbraw/zinc/82/75/94/592827594.db2.gz BVLHERJCJHMSNH-UHFFFAOYSA-N 1 3 339.443 1.679 20 0 EDADHO CN1CC[N@@H+](C)CC(C(=O)Nc2ccccc2Nc2ccncc2)C1 ZINC000907880709 592827595 /nfs/dbraw/zinc/82/75/95/592827595.db2.gz BVLHERJCJHMSNH-UHFFFAOYSA-N 1 3 339.443 1.679 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000907952526 592854946 /nfs/dbraw/zinc/85/49/46/592854946.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 1 3 337.508 1.747 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000907952526 592854948 /nfs/dbraw/zinc/85/49/48/592854948.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 1 3 337.508 1.747 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809615302 593350202 /nfs/dbraw/zinc/35/02/02/593350202.db2.gz ADXJCYLGVBSAFT-UONOGXRCSA-N 1 3 326.510 1.560 20 0 EDADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756543 593357934 /nfs/dbraw/zinc/35/79/34/593357934.db2.gz SGEOJHVETVYPSM-KRWDZBQOSA-N 1 3 331.460 1.714 20 0 EDADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756543 593357936 /nfs/dbraw/zinc/35/79/36/593357936.db2.gz SGEOJHVETVYPSM-KRWDZBQOSA-N 1 3 331.460 1.714 20 0 EDADHO CC(C)[C@H](CN(C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689801 593363916 /nfs/dbraw/zinc/36/39/16/593363916.db2.gz TZCSWQDJYZXALC-HOTGVXAUSA-N 1 3 327.538 1.906 20 0 EDADHO COc1cc2[nH+]ccc(NC[C@H]3CN4CCC[C@H]4CO3)c2cc1OC ZINC000840252473 593500251 /nfs/dbraw/zinc/50/02/51/593500251.db2.gz WCLJHHCRWCZCSC-KBPBESRZSA-N 1 3 343.427 1.949 20 0 EDADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000813325834 593526593 /nfs/dbraw/zinc/52/65/93/593526593.db2.gz LPNGQBUWCLOSFA-CRAIPNDOSA-N 1 3 345.487 1.790 20 0 EDADHO O[C@H](CNC1(Cc2cccc(F)c2)CCOCC1)C[NH+]1CCCC1 ZINC000815151493 593618215 /nfs/dbraw/zinc/61/82/15/593618215.db2.gz GOHSDBUJZWQIQF-GOSISDBHSA-N 1 3 336.451 1.964 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817890375 593645666 /nfs/dbraw/zinc/64/56/66/593645666.db2.gz SPDOBUROZMTSRW-RYUDHWBXSA-N 1 3 343.415 1.265 20 0 EDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817891123 593645813 /nfs/dbraw/zinc/64/58/13/593645813.db2.gz GOKJYKSMLALMQP-NXEZZACHSA-N 1 3 331.404 1.263 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819388326 593753160 /nfs/dbraw/zinc/75/31/60/593753160.db2.gz FLYOTJACTFQDSP-KRWDZBQOSA-N 1 3 325.884 1.989 20 0 EDADHO CON(CC1CCOCC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820080918 593789299 /nfs/dbraw/zinc/78/92/99/593789299.db2.gz OXHGIDKAILNFQM-HNNXBMFYSA-N 1 3 344.500 1.258 20 0 EDADHO CON(CC1CCOCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820080918 593789300 /nfs/dbraw/zinc/78/93/00/593789300.db2.gz OXHGIDKAILNFQM-HNNXBMFYSA-N 1 3 344.500 1.258 20 0 EDADHO COC[C@@]1(c2nc(-c3ccc(OCCN(C)C)cc3)no2)CC[NH2+]C1 ZINC000822723198 594091908 /nfs/dbraw/zinc/09/19/08/594091908.db2.gz TVPLQPCTYXXMRL-GOSISDBHSA-N 1 3 346.431 1.555 20 0 EDADHO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825576468 594202648 /nfs/dbraw/zinc/20/26/48/594202648.db2.gz HXPGAZMNWFSJCW-CZUORRHYSA-N 1 3 332.452 1.874 20 0 EDADHO CCO[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)CN(C)C ZINC000831730454 594697046 /nfs/dbraw/zinc/69/70/46/594697046.db2.gz CQDDWYHDUVSIDZ-GOSISDBHSA-N 1 3 333.476 1.518 20 0 EDADHO CCO[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)CN(C)C ZINC000831730454 594697047 /nfs/dbraw/zinc/69/70/47/594697047.db2.gz CQDDWYHDUVSIDZ-GOSISDBHSA-N 1 3 333.476 1.518 20 0 EDADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841791475 594953917 /nfs/dbraw/zinc/95/39/17/594953917.db2.gz XVECNOCLCWUYMI-ZWKOTPCHSA-N 1 3 346.475 1.410 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c(Cl)nc2ccccn21 ZINC000104533549 594968577 /nfs/dbraw/zinc/96/85/77/594968577.db2.gz SWPAMHVDIHAVSB-UHFFFAOYSA-N 1 3 337.855 1.553 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)cc1 ZINC000842015388 595003082 /nfs/dbraw/zinc/00/30/82/595003082.db2.gz KJVSNTLMPWNXPU-HUUCEWRRSA-N 1 3 346.475 1.313 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CCCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509758 595123327 /nfs/dbraw/zinc/12/33/27/595123327.db2.gz LVLJSEVTNGRPAU-CHWSQXEVSA-N 1 3 326.828 1.010 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCCCC1 ZINC000837766156 595190706 /nfs/dbraw/zinc/19/07/06/595190706.db2.gz AENMJALMTCPFKJ-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)ccn1 ZINC000843191054 595302071 /nfs/dbraw/zinc/30/20/71/595302071.db2.gz AYNHCPSLEQXGNR-AWEZNQCLSA-N 1 3 343.431 1.929 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)C2CCN(C3CC3)CC2)C1 ZINC000846698158 595303744 /nfs/dbraw/zinc/30/37/44/595303744.db2.gz CJPPZMDEONQWJB-KBAYOESNSA-N 1 3 335.492 1.748 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848414181 595375589 /nfs/dbraw/zinc/37/55/89/595375589.db2.gz MDQUAQITAUKHMC-IEBWSBKVSA-N 1 3 331.460 1.980 20 0 EDADHO C[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC(=O)N1 ZINC000849116197 595484621 /nfs/dbraw/zinc/48/46/21/595484621.db2.gz LFBBWOMYBGGDIS-IBGZPJMESA-N 1 3 343.475 1.434 20 0 EDADHO NCc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000852843892 595570991 /nfs/dbraw/zinc/57/09/91/595570991.db2.gz JEPKRUTYMMCBPS-UHFFFAOYSA-N 1 3 331.460 1.766 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CCNC2 ZINC000852857647 595578909 /nfs/dbraw/zinc/57/89/09/595578909.db2.gz AFGMWBQCLWVKJC-HNNXBMFYSA-N 1 3 349.500 1.767 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849583362 595581808 /nfs/dbraw/zinc/58/18/08/595581808.db2.gz SVCZKXQGOADOEO-ROUUACIJSA-N 1 3 349.523 1.646 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879618 595594796 /nfs/dbraw/zinc/59/47/96/595594796.db2.gz GBLQZFBDEYEPQD-ZFWWWQNUSA-N 1 3 327.350 1.532 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccccn1 ZINC000853110217 595667246 /nfs/dbraw/zinc/66/72/46/595667246.db2.gz XDGZQWSHJVCEDV-ICSRJNTNSA-N 1 3 341.455 1.862 20 0 EDADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccccn1 ZINC000853110217 595667249 /nfs/dbraw/zinc/66/72/49/595667249.db2.gz XDGZQWSHJVCEDV-ICSRJNTNSA-N 1 3 341.455 1.862 20 0 EDADHO CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346315 595680174 /nfs/dbraw/zinc/68/01/74/595680174.db2.gz WCFWIUXLJNWFHL-LBPRGKRZSA-N 1 3 343.903 1.638 20 0 EDADHO CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346315 595680175 /nfs/dbraw/zinc/68/01/75/595680175.db2.gz WCFWIUXLJNWFHL-LBPRGKRZSA-N 1 3 343.903 1.638 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000851780813 595920909 /nfs/dbraw/zinc/92/09/09/595920909.db2.gz KQYPCNWHLOEKFO-CABCVRRESA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000851780813 595920910 /nfs/dbraw/zinc/92/09/10/595920910.db2.gz KQYPCNWHLOEKFO-CABCVRRESA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000851780813 595920912 /nfs/dbraw/zinc/92/09/12/595920912.db2.gz KQYPCNWHLOEKFO-CABCVRRESA-N 1 3 334.397 1.989 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002945 /nfs/dbraw/zinc/00/29/45/596002945.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 1 3 341.496 1.486 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000852002444 596002948 /nfs/dbraw/zinc/00/29/48/596002948.db2.gz CNBGXHKNEYFLIX-OWCLPIDISA-N 1 3 341.496 1.486 20 0 EDADHO COC(=O)Cn1cc(CCN(C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000859212538 596005406 /nfs/dbraw/zinc/00/54/06/596005406.db2.gz PGKAKYJQRJOSAH-UHFFFAOYSA-N 1 3 345.447 1.187 20 0 EDADHO C[C@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980951 596428412 /nfs/dbraw/zinc/42/84/12/596428412.db2.gz ALQHAJMZHMRRQY-QFBILLFUSA-N 1 3 344.503 1.561 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCCOc2ccccc2)CC1 ZINC000863550153 596615624 /nfs/dbraw/zinc/61/56/24/596615624.db2.gz ZNPVQLWXQIUPBX-ZWKOTPCHSA-N 1 3 345.443 1.713 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000869777688 596629123 /nfs/dbraw/zinc/62/91/23/596629123.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000869777688 596629125 /nfs/dbraw/zinc/62/91/25/596629125.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 1 3 345.487 1.470 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868096841 596684580 /nfs/dbraw/zinc/68/45/80/596684580.db2.gz XVKLKUCVDUFYSC-HUUCEWRRSA-N 1 3 331.464 1.782 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865817918 596696082 /nfs/dbraw/zinc/69/60/82/596696082.db2.gz IYWPRKDJHDLSTE-HZPDHXFCSA-N 1 3 337.489 1.354 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000865817918 596696083 /nfs/dbraw/zinc/69/60/83/596696083.db2.gz IYWPRKDJHDLSTE-HZPDHXFCSA-N 1 3 337.489 1.354 20 0 EDADHO COC1CCN(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183670 596713839 /nfs/dbraw/zinc/71/38/39/596713839.db2.gz PGXXZFTZDHYNFH-DLBZAZTESA-N 1 3 332.448 1.734 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N(C)CCCCCC[NH3+])cc1 ZINC000871824261 596715801 /nfs/dbraw/zinc/71/58/01/596715801.db2.gz XEXGYMNTGMRZQI-UHFFFAOYSA-N 1 3 327.494 1.888 20 0 EDADHO Cn1c(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156458 596815900 /nfs/dbraw/zinc/81/59/00/596815900.db2.gz JXVFCZKGTBLWTJ-YOEHRIQHSA-N 1 3 348.491 1.204 20 0 EDADHO CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000872203791 596834410 /nfs/dbraw/zinc/83/44/10/596834410.db2.gz NGCNXFDBTCIKLN-SFHVURJKSA-N 1 3 336.476 1.255 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000872203791 596834411 /nfs/dbraw/zinc/83/44/11/596834411.db2.gz NGCNXFDBTCIKLN-SFHVURJKSA-N 1 3 336.476 1.255 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Cl)n1 ZINC000872266536 596861438 /nfs/dbraw/zinc/86/14/38/596861438.db2.gz XPMJOARONWNFFH-XYPHTWIQSA-N 1 3 336.867 1.891 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961204 597398516 /nfs/dbraw/zinc/39/85/16/597398516.db2.gz DBYOLBNQMWUYIQ-QUCCMNQESA-N 1 3 342.487 1.942 20 0 EDADHO CC1(C)CC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)[NH2+]C1 ZINC000877152157 597444607 /nfs/dbraw/zinc/44/46/07/597444607.db2.gz HCNCDOYWWFEILW-MRXNPFEDSA-N 1 3 337.508 1.916 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000875523572 597464078 /nfs/dbraw/zinc/46/40/78/597464078.db2.gz AZGFGZAPUIDSDK-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO Cn1ncc(CN)c1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877444718 597516573 /nfs/dbraw/zinc/51/65/73/597516573.db2.gz PAJWFFKBFZWPQA-BBRMVZONSA-N 1 3 333.480 1.639 20 0 EDADHO CN1C(=O)[C@H]2CN(CC(C)(C)C[N@H+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550913 /nfs/dbraw/zinc/55/09/13/597550913.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 1 3 343.471 1.691 20 0 EDADHO CN1C(=O)[C@H]2CN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)C[C@H]2C1=O ZINC000877720165 597550914 /nfs/dbraw/zinc/55/09/14/597550914.db2.gz LDBYVUFHSXYYAO-CALCHBBNSA-N 1 3 343.471 1.691 20 0 EDADHO CCOC(=O)[C@@]1(C(C)C)CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878520010 597621444 /nfs/dbraw/zinc/62/14/44/597621444.db2.gz FDBOILGGLNFCAA-SFHVURJKSA-N 1 3 339.480 1.108 20 0 EDADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](CO)CN3CCCC3)c2)C1 ZINC000879990689 597799655 /nfs/dbraw/zinc/79/96/55/597799655.db2.gz FTDGSOGKVJSMGP-RBUKOAKNSA-N 1 3 345.487 1.682 20 0 EDADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](CO)CN3CCCC3)c2)C1 ZINC000879990689 597799657 /nfs/dbraw/zinc/79/96/57/597799657.db2.gz FTDGSOGKVJSMGP-RBUKOAKNSA-N 1 3 345.487 1.682 20 0 EDADHO CO[C@@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438565 598105196 /nfs/dbraw/zinc/10/51/96/598105196.db2.gz DXFIXMBXDUYVIS-OLZOCXBDSA-N 1 3 334.247 1.686 20 0 EDADHO O=C(N1C[C@@H]2CCC[C@H](NCc3ccon3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC000992853189 695408852 /nfs/dbraw/zinc/40/88/52/695408852.db2.gz DXDRADMJUKAJOW-XIRDDKMYSA-N 1 3 344.459 1.487 20 0 EDADHO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CN4CCCC4)C[C@H]32)n1 ZINC000992908046 695444766 /nfs/dbraw/zinc/44/47/66/695444766.db2.gz PKNAPHYHPYZORN-KBAYOESNSA-N 1 3 345.491 1.233 20 0 EDADHO C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993929364 696448571 /nfs/dbraw/zinc/44/85/71/696448571.db2.gz PKWMLAAXRJWBPW-FUHWJXTLSA-N 1 3 347.507 1.584 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCCN1CCCO ZINC000993987061 696482789 /nfs/dbraw/zinc/48/27/89/696482789.db2.gz LLJLUFRLTZDGBN-MAUKXSAKSA-N 1 3 333.476 1.713 20 0 EDADHO Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994412403 696838376 /nfs/dbraw/zinc/83/83/76/696838376.db2.gz VERZXPSZSMAYLF-FUHWJXTLSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994412403 696838378 /nfs/dbraw/zinc/83/83/78/696838378.db2.gz VERZXPSZSMAYLF-FUHWJXTLSA-N 1 3 330.476 1.955 20 0 EDADHO C[C@H](O)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847168 697322253 /nfs/dbraw/zinc/32/22/53/697322253.db2.gz JEABHBBIWFRMHW-INIZCTEOSA-N 1 3 337.508 1.414 20 0 EDADHO CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CCCN3C(C)C)C2)C1 ZINC001031665843 697446562 /nfs/dbraw/zinc/44/65/62/697446562.db2.gz JAXHZQPWMCFBGU-VJFUWPCTSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)CC[N@@H+]1C ZINC000941533854 701573604 /nfs/dbraw/zinc/57/36/04/701573604.db2.gz IVASMAZWLNZDJE-WMZOPIPTSA-N 1 3 348.535 1.345 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)CC[N@H+]1C ZINC000941533854 701573605 /nfs/dbraw/zinc/57/36/05/701573605.db2.gz IVASMAZWLNZDJE-WMZOPIPTSA-N 1 3 348.535 1.345 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603752 701593606 /nfs/dbraw/zinc/59/36/06/701593606.db2.gz NZMITYSBXXFTOV-HKUYNNGSSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603752 701593607 /nfs/dbraw/zinc/59/36/07/701593607.db2.gz NZMITYSBXXFTOV-HKUYNNGSSA-N 1 3 348.535 1.632 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940141880 700269676 /nfs/dbraw/zinc/26/96/76/700269676.db2.gz JOHZTWCDKMYOPX-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940141880 700269680 /nfs/dbraw/zinc/26/96/80/700269680.db2.gz JOHZTWCDKMYOPX-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000940153866 700283395 /nfs/dbraw/zinc/28/33/95/700283395.db2.gz CDWVQIXHLZHGNL-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(CO)cc2)CC1)N(C)C ZINC000940176555 700309294 /nfs/dbraw/zinc/30/92/94/700309294.db2.gz KYFFPNFYTSNCMX-GOSISDBHSA-N 1 3 347.503 1.990 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000940178593 700312069 /nfs/dbraw/zinc/31/20/69/700312069.db2.gz IRSMOEKSJGEQPP-QGZVFWFLSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cn1 ZINC000940307242 700489274 /nfs/dbraw/zinc/48/92/74/700489274.db2.gz QQEJZUILWPPAIQ-QGZVFWFLSA-N 1 3 347.507 1.842 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329769 700509565 /nfs/dbraw/zinc/50/95/65/700509565.db2.gz YQBYBAZKNFISHD-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccc(OC)n2)CC1)N(C)C ZINC000940333959 700513667 /nfs/dbraw/zinc/51/36/67/700513667.db2.gz DGFZIPFWJNGTAV-INIZCTEOSA-N 1 3 348.491 1.901 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)(NCc3cc(C4CC4)no3)CC2)C1 ZINC000940457698 700661545 /nfs/dbraw/zinc/66/15/45/700661545.db2.gz PZYALIGMGKVEEE-OAHLLOKOSA-N 1 3 346.475 1.974 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(C)(NCc3cc(C4CC4)no3)CC2)C1 ZINC000940457698 700661547 /nfs/dbraw/zinc/66/15/47/700661547.db2.gz PZYALIGMGKVEEE-OAHLLOKOSA-N 1 3 346.475 1.974 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785072 700895791 /nfs/dbraw/zinc/89/57/91/700895791.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785072 700895792 /nfs/dbraw/zinc/89/57/92/700895792.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157459 701221200 /nfs/dbraw/zinc/22/12/00/701221200.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 1 3 339.524 1.850 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157459 701221202 /nfs/dbraw/zinc/22/12/02/701221202.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 1 3 339.524 1.850 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2ccccn2)C1 ZINC000999168201 706595699 /nfs/dbraw/zinc/59/56/99/706595699.db2.gz FSVDCYVBWNEHIH-ZWKOTPCHSA-N 1 3 328.460 1.504 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941454478 701548326 /nfs/dbraw/zinc/54/83/26/701548326.db2.gz GOGGPGLHGXFING-UHFFFAOYSA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)C1CC1 ZINC000995896401 702201067 /nfs/dbraw/zinc/20/10/67/702201067.db2.gz NLJRHUMKZUEBHD-DLBZAZTESA-N 1 3 347.507 1.129 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)C1CC1 ZINC000995890473 702231456 /nfs/dbraw/zinc/23/14/56/702231456.db2.gz BHPPZXCHHVMLTG-JKSUJKDBSA-N 1 3 333.480 1.050 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)N(C)C ZINC000995930257 702260599 /nfs/dbraw/zinc/26/05/99/702260599.db2.gz ZYBFWMWJFDINTK-IRXDYDNUSA-N 1 3 349.523 1.375 20 0 EDADHO CO[C@H](Cc1ccccc1)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186308 702322880 /nfs/dbraw/zinc/32/28/80/702322880.db2.gz NEZZVFURCLRZHP-RBUKOAKNSA-N 1 3 345.487 1.244 20 0 EDADHO CO[C@H](Cc1ccccc1)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186308 702322887 /nfs/dbraw/zinc/32/28/87/702322887.db2.gz NEZZVFURCLRZHP-RBUKOAKNSA-N 1 3 345.487 1.244 20 0 EDADHO CO[C@@H](Cc1ccccc1)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186306 702323617 /nfs/dbraw/zinc/32/36/17/702323617.db2.gz NEZZVFURCLRZHP-MOPGFXCFSA-N 1 3 345.487 1.244 20 0 EDADHO CO[C@@H](Cc1ccccc1)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186306 702323624 /nfs/dbraw/zinc/32/36/24/702323624.db2.gz NEZZVFURCLRZHP-MOPGFXCFSA-N 1 3 345.487 1.244 20 0 EDADHO Cc1cncc(CN2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c1 ZINC000944155767 702449580 /nfs/dbraw/zinc/44/95/80/702449580.db2.gz QANVCRSRBVUOCS-FUHWJXTLSA-N 1 3 342.487 1.812 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996354949 702732686 /nfs/dbraw/zinc/73/26/86/702732686.db2.gz JZBFMNVNAIARCV-JKSUJKDBSA-N 1 3 334.464 1.738 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560513 702879117 /nfs/dbraw/zinc/87/91/17/702879117.db2.gz IVPKFPYXOPJLJQ-QGZVFWFLSA-N 1 3 345.491 1.325 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614379 702919853 /nfs/dbraw/zinc/91/98/53/702919853.db2.gz MYEZXRYRISXIJJ-ZBFHGGJFSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614379 702919854 /nfs/dbraw/zinc/91/98/54/702919854.db2.gz MYEZXRYRISXIJJ-ZBFHGGJFSA-N 1 3 333.480 1.007 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)C1CC1 ZINC000996678450 702977302 /nfs/dbraw/zinc/97/73/02/702977302.db2.gz NTWZSKKSDKUVQU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)sn1 ZINC000996679136 702977798 /nfs/dbraw/zinc/97/77/98/702977798.db2.gz PZXBQQLBZFBRMI-MRXNPFEDSA-N 1 3 336.505 1.872 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)N(C)C ZINC000996693771 702991135 /nfs/dbraw/zinc/99/11/35/702991135.db2.gz QYFLUXUNBNIXRO-KRWDZBQOSA-N 1 3 335.496 1.129 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cn1 ZINC000996686590 702993246 /nfs/dbraw/zinc/99/32/46/702993246.db2.gz DLZAFMKETOSRMN-SFHVURJKSA-N 1 3 348.491 1.757 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2snnc2C)CC1)N(C)C ZINC000996712454 703007534 /nfs/dbraw/zinc/00/75/34/703007534.db2.gz PBDYSOBHORNBKH-CYBMUJFWSA-N 1 3 325.482 1.267 20 0 EDADHO C[C@@H](NC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000996945178 703214230 /nfs/dbraw/zinc/21/42/30/703214230.db2.gz GHGWGKQYPIIUTJ-CQSZACIVSA-N 1 3 331.464 1.460 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000996948064 703217550 /nfs/dbraw/zinc/21/75/50/703217550.db2.gz ZOXDBDPVROUJDE-UHFFFAOYSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996994851 703251394 /nfs/dbraw/zinc/25/13/94/703251394.db2.gz KSZUAVREXCPJAI-CQSZACIVSA-N 1 3 333.480 1.293 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000997004616 703261612 /nfs/dbraw/zinc/26/16/12/703261612.db2.gz FOGWHRAMMLGEMC-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1)N(C)C ZINC000997009186 703269692 /nfs/dbraw/zinc/26/96/92/703269692.db2.gz IHGKKSZOWUAYBU-KRWDZBQOSA-N 1 3 346.475 1.206 20 0 EDADHO CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1)C(N)=O ZINC000997356824 703587806 /nfs/dbraw/zinc/58/78/06/703587806.db2.gz OHVJBJGQZQGECG-QGZVFWFLSA-N 1 3 346.475 1.206 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366828 703600841 /nfs/dbraw/zinc/60/08/41/703600841.db2.gz NHXUZNZVPKKHGA-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC1 ZINC001032705826 706756300 /nfs/dbraw/zinc/75/63/00/706756300.db2.gz MIYAEODIGUPPEN-ROUUACIJSA-N 1 3 349.519 1.963 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000997792015 704700374 /nfs/dbraw/zinc/70/03/74/704700374.db2.gz DOSWYMIGQOARBH-CRAIPNDOSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000997792015 704700375 /nfs/dbraw/zinc/70/03/75/704700375.db2.gz DOSWYMIGQOARBH-CRAIPNDOSA-N 1 3 345.491 1.453 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997830709 704751092 /nfs/dbraw/zinc/75/10/92/704751092.db2.gz MTEXAMJDECCJKK-KRWDZBQOSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998082212 705309262 /nfs/dbraw/zinc/30/92/62/705309262.db2.gz OMWIJSSSVSIHKM-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998082212 705309265 /nfs/dbraw/zinc/30/92/65/705309265.db2.gz OMWIJSSSVSIHKM-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc(N)n1 ZINC000052162155 705475306 /nfs/dbraw/zinc/47/53/06/705475306.db2.gz DKPSZNILZRQOJY-UHFFFAOYSA-N 1 3 346.479 1.186 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998217953 705540245 /nfs/dbraw/zinc/54/02/45/705540245.db2.gz UPCURUAQVLSGEW-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998217953 705540248 /nfs/dbraw/zinc/54/02/48/705540248.db2.gz UPCURUAQVLSGEW-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)sn1 ZINC000998269405 705651970 /nfs/dbraw/zinc/65/19/70/705651970.db2.gz OOWFUKWZRZIASM-UHFFFAOYSA-N 1 3 336.505 1.876 20 0 EDADHO C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC[C@H]1CC(C)(C)C)C2=O ZINC000057821734 706047703 /nfs/dbraw/zinc/04/77/03/706047703.db2.gz JDLHTCZZEYFIED-AWEZNQCLSA-N 1 3 336.480 1.861 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555104 /nfs/dbraw/zinc/55/51/04/706555104.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 1 3 349.519 1.678 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555107 /nfs/dbraw/zinc/55/51/07/706555107.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 1 3 349.519 1.678 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348395 706860588 /nfs/dbraw/zinc/86/05/88/706860588.db2.gz OFANZCUOGZUKOI-INIZCTEOSA-N 1 3 333.480 1.293 20 0 EDADHO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](NCCF)C1 ZINC000999353243 706866379 /nfs/dbraw/zinc/86/63/79/706866379.db2.gz LUMCAXSXJIMZOI-GDBMZVCRSA-N 1 3 327.444 1.180 20 0 EDADHO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H](NCCF)C1 ZINC000999353243 706866382 /nfs/dbraw/zinc/86/63/82/706866382.db2.gz LUMCAXSXJIMZOI-GDBMZVCRSA-N 1 3 327.444 1.180 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488997 707024847 /nfs/dbraw/zinc/02/48/47/707024847.db2.gz IERBPHIMPUGKKW-MRXNPFEDSA-N 1 3 345.491 1.377 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999680831 707165620 /nfs/dbraw/zinc/16/56/20/707165620.db2.gz ASFUMNWPLFKPMR-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999680831 707165622 /nfs/dbraw/zinc/16/56/22/707165622.db2.gz ASFUMNWPLFKPMR-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946784891 707317495 /nfs/dbraw/zinc/31/74/95/707317495.db2.gz ZDUGAVJCNXOOGG-FJIDUMEYSA-N 1 3 337.508 1.534 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946784891 707317497 /nfs/dbraw/zinc/31/74/97/707317497.db2.gz ZDUGAVJCNXOOGG-FJIDUMEYSA-N 1 3 337.508 1.534 20 0 EDADHO C[C@@H](NCc1cncn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932353 707695686 /nfs/dbraw/zinc/69/56/86/707695686.db2.gz ZGXQSPUDBQRMEN-QAPCUYQASA-N 1 3 347.507 1.621 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001033225020 707849375 /nfs/dbraw/zinc/84/93/75/707849375.db2.gz CBTACCCAGWIRDX-DLBZAZTESA-N 1 3 349.519 1.963 20 0 EDADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582091 708264427 /nfs/dbraw/zinc/26/44/27/708264427.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 1 3 347.507 1.320 20 0 EDADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582091 708264430 /nfs/dbraw/zinc/26/44/30/708264430.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 1 3 347.507 1.320 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121609 708635584 /nfs/dbraw/zinc/63/55/84/708635584.db2.gz SFRKMBFTXFIVIA-KRWDZBQOSA-N 1 3 330.476 1.670 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121609 708635586 /nfs/dbraw/zinc/63/55/86/708635586.db2.gz SFRKMBFTXFIVIA-KRWDZBQOSA-N 1 3 330.476 1.670 20 0 EDADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCN(CCn2cccn2)CC1 ZINC001005398377 708881651 /nfs/dbraw/zinc/88/16/51/708881651.db2.gz OBOCOLBEMQQZDU-SFHVURJKSA-N 1 3 345.491 1.148 20 0 EDADHO CN(C(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427333 708982117 /nfs/dbraw/zinc/98/21/17/708982117.db2.gz WNIQSHJQGJTRLB-RTBURBONSA-N 1 3 349.519 1.963 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037721 709270319 /nfs/dbraw/zinc/27/03/19/709270319.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 1 3 347.507 1.320 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037721 709270323 /nfs/dbraw/zinc/27/03/23/709270323.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 1 3 347.507 1.320 20 0 EDADHO CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1)OC ZINC001002793672 709402006 /nfs/dbraw/zinc/40/20/06/709402006.db2.gz ZBPNVKOFGNJMLN-SJORKVTESA-N 1 3 325.497 1.865 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321909 709772751 /nfs/dbraw/zinc/77/27/51/709772751.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321909 709772756 /nfs/dbraw/zinc/77/27/56/709772756.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 1 3 347.503 1.620 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438294 710028029 /nfs/dbraw/zinc/02/80/29/710028029.db2.gz OHJYIJJTFBFGOF-DLBZAZTESA-N 1 3 337.508 1.866 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)C1 ZINC001034490423 710109375 /nfs/dbraw/zinc/10/93/75/710109375.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)C1 ZINC001034490423 710109377 /nfs/dbraw/zinc/10/93/77/710109377.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@@H+]1C ZINC001003493250 710376006 /nfs/dbraw/zinc/37/60/06/710376006.db2.gz UDWSSLOLKLKHMH-HOTGVXAUSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCn3cccn3)CC2)CC[N@H+]1C ZINC001003493250 710376008 /nfs/dbraw/zinc/37/60/08/710376008.db2.gz UDWSSLOLKLKHMH-HOTGVXAUSA-N 1 3 333.480 1.194 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034775637 711049458 /nfs/dbraw/zinc/04/94/58/711049458.db2.gz FLIXAXUEBHTPHK-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034775637 711049460 /nfs/dbraw/zinc/04/94/60/711049460.db2.gz FLIXAXUEBHTPHK-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034953728 711418701 /nfs/dbraw/zinc/41/87/01/711418701.db2.gz HMUCDCPOZHFYAB-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034953728 711418702 /nfs/dbraw/zinc/41/87/02/711418702.db2.gz HMUCDCPOZHFYAB-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@H+]2C(C)C)n[nH]1 ZINC001034958656 711432180 /nfs/dbraw/zinc/43/21/80/711432180.db2.gz LZQZMSMVUGQCTL-JKSUJKDBSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)n[nH]1 ZINC001034958656 711432182 /nfs/dbraw/zinc/43/21/82/711432182.db2.gz LZQZMSMVUGQCTL-JKSUJKDBSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939879 711442752 /nfs/dbraw/zinc/44/27/52/711442752.db2.gz PUABAPJUAYDABX-DJIMGWMZSA-N 1 3 333.480 1.149 20 0 EDADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939879 711442753 /nfs/dbraw/zinc/44/27/53/711442753.db2.gz PUABAPJUAYDABX-DJIMGWMZSA-N 1 3 333.480 1.149 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1cccnc1 ZINC001034940644 711444609 /nfs/dbraw/zinc/44/46/09/711444609.db2.gz GMHGVUGXRVHHJP-QZTJIDSGSA-N 1 3 328.460 1.504 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@H](C)O)s1)C2 ZINC000922391594 711456364 /nfs/dbraw/zinc/45/63/64/711456364.db2.gz WVYRJPUBSLCETN-GQJXAQPLSA-N 1 3 339.505 1.766 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cnc([C@H](C)O)s1)C2 ZINC000922391594 711456366 /nfs/dbraw/zinc/45/63/66/711456366.db2.gz WVYRJPUBSLCETN-GQJXAQPLSA-N 1 3 339.505 1.766 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000332279120 282148254 /nfs/dbraw/zinc/14/82/54/282148254.db2.gz QYYCRZFINYVRIP-DLBZAZTESA-N 1 3 337.489 1.653 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000332279120 282148255 /nfs/dbraw/zinc/14/82/55/282148255.db2.gz QYYCRZFINYVRIP-DLBZAZTESA-N 1 3 337.489 1.653 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000262119973 282148298 /nfs/dbraw/zinc/14/82/98/282148298.db2.gz VMWBUOHWNLLGMD-CQSZACIVSA-N 1 3 325.478 1.416 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173943082 231076516 /nfs/dbraw/zinc/07/65/16/231076516.db2.gz GKNFLZXXIYLSJW-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000173943082 231076522 /nfs/dbraw/zinc/07/65/22/231076522.db2.gz GKNFLZXXIYLSJW-HUUCEWRRSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000377697915 282198087 /nfs/dbraw/zinc/19/80/87/282198087.db2.gz IDYAWOPIEMEHDM-BPQIPLTHSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000559147527 306250937 /nfs/dbraw/zinc/25/09/37/306250937.db2.gz NMQVWMGGMRFKLL-UHFFFAOYSA-N 1 3 346.475 1.482 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCN(C2CC2)C1 ZINC000560747008 306278442 /nfs/dbraw/zinc/27/84/42/306278442.db2.gz JDUZTOFADZPRPO-IRXDYDNUSA-N 1 3 337.533 1.899 20 0 EDADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CNCCO1 ZINC000561145624 306282776 /nfs/dbraw/zinc/28/27/76/306282776.db2.gz ZTQYSKKREHDSSY-KRWDZBQOSA-N 1 3 332.448 1.070 20 0 EDADHO CC(C)(O)[C@@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C(C)(C)O)COC1 ZINC000248410283 539686942 /nfs/dbraw/zinc/68/69/42/539686942.db2.gz DBNHFLRNNVGKDA-HOTGVXAUSA-N 1 3 340.508 1.474 20 0 EDADHO CC(C)(O)[C@@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C(C)(C)O)COC1 ZINC000248410283 539686944 /nfs/dbraw/zinc/68/69/44/539686944.db2.gz DBNHFLRNNVGKDA-HOTGVXAUSA-N 1 3 340.508 1.474 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150764537 539712567 /nfs/dbraw/zinc/71/25/67/539712567.db2.gz LEGHSICLAQHLSC-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150764537 539712572 /nfs/dbraw/zinc/71/25/72/539712572.db2.gz LEGHSICLAQHLSC-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000562806955 306309668 /nfs/dbraw/zinc/30/96/68/306309668.db2.gz UKLHRBKHJBZGDN-QGZVFWFLSA-N 1 3 345.491 1.939 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+])N(C)C ZINC000562810243 306310068 /nfs/dbraw/zinc/31/00/68/306310068.db2.gz BWORGNZBCRLRLM-BQFCYCMXSA-N 1 3 347.507 1.271 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000479547372 539984310 /nfs/dbraw/zinc/98/43/10/539984310.db2.gz NXLWSSLLSAUIPC-HNNXBMFYSA-N 1 3 348.491 1.824 20 0 EDADHO CC(=O)N1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)c2ccccc2C1 ZINC000562881214 306311791 /nfs/dbraw/zinc/31/17/91/306311791.db2.gz HCNZZVZUGBYCQE-SFHVURJKSA-N 1 3 331.460 1.526 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000565575992 306386637 /nfs/dbraw/zinc/38/66/37/306386637.db2.gz QOWMIYCQTXUERO-UYAOXDASSA-N 1 3 345.487 1.566 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@]1(C)CCCO1 ZINC000414195384 304105361 /nfs/dbraw/zinc/10/53/61/304105361.db2.gz OAMCOTOBZBXNKW-IAGOWNOFSA-N 1 3 325.497 1.330 20 0 EDADHO CN1CCC(C[NH2+]Cc2ccc(F)c(F)c2)(N2CCOCC2)CC1 ZINC000414485083 304118537 /nfs/dbraw/zinc/11/85/37/304118537.db2.gz OUJOUUIWXOJKJZ-UHFFFAOYSA-N 1 3 339.430 1.851 20 0 EDADHO Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414699505 304129247 /nfs/dbraw/zinc/12/92/47/304129247.db2.gz ILFYUNYQYVRVNO-QGZVFWFLSA-N 1 3 333.476 1.893 20 0 EDADHO Cc1ccccc1OCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414699505 304129248 /nfs/dbraw/zinc/12/92/48/304129248.db2.gz ILFYUNYQYVRVNO-QGZVFWFLSA-N 1 3 333.476 1.893 20 0 EDADHO C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703104 304129813 /nfs/dbraw/zinc/12/98/13/304129813.db2.gz LRWKSRSQWLFQQO-OAHLLOKOSA-N 1 3 337.439 1.724 20 0 EDADHO C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703104 304129815 /nfs/dbraw/zinc/12/98/15/304129815.db2.gz LRWKSRSQWLFQQO-OAHLLOKOSA-N 1 3 337.439 1.724 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000414733797 304134420 /nfs/dbraw/zinc/13/44/20/304134420.db2.gz DSGNYKCWXSPTAK-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566668352 306424056 /nfs/dbraw/zinc/42/40/56/306424056.db2.gz JOTZFGPIKLNACV-LMMKCTJWSA-N 1 3 342.487 1.905 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414829831 304145672 /nfs/dbraw/zinc/14/56/72/304145672.db2.gz LGJKKTVZVMBIHK-MRXNPFEDSA-N 1 3 332.448 1.465 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000414830398 304145759 /nfs/dbraw/zinc/14/57/59/304145759.db2.gz AZEYYCGGIBTUNR-GOEBONIOSA-N 1 3 341.496 1.530 20 0 EDADHO CC(=O)Nc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414995898 304149456 /nfs/dbraw/zinc/14/94/56/304149456.db2.gz WQFRTGUSBYAAHI-HNNXBMFYSA-N 1 3 344.381 1.571 20 0 EDADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(-n2cccn2)c1 ZINC000415075472 304157629 /nfs/dbraw/zinc/15/76/29/304157629.db2.gz BNNRHNDCMNIWFF-CVEARBPZSA-N 1 3 341.459 1.720 20 0 EDADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN(C2CCCCC2)CC1 ZINC000418753930 284245115 /nfs/dbraw/zinc/24/51/15/284245115.db2.gz HRLGZQKTRFTSPM-AWEZNQCLSA-N 1 3 330.423 1.644 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000415119701 304161344 /nfs/dbraw/zinc/16/13/44/304161344.db2.gz KTPHQKAYUBNKMP-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO C[NH+](C)CCN1CCC(CN[C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195026224 139005061 /nfs/dbraw/zinc/00/50/61/139005061.db2.gz QINFNZPCXSBBBX-SFHVURJKSA-N 1 3 342.491 1.757 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000236959848 139036550 /nfs/dbraw/zinc/03/65/50/139036550.db2.gz NWCRBCCSZJHQOG-GOSISDBHSA-N 1 3 330.476 1.050 20 0 EDADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000237287280 139046594 /nfs/dbraw/zinc/04/65/94/139046594.db2.gz QRHYCGBPJIYWGY-JKSUJKDBSA-N 1 3 330.476 1.674 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000157280147 205186538 /nfs/dbraw/zinc/18/65/38/205186538.db2.gz FUKFSPSZEDEWPW-NVXWUHKLSA-N 1 3 325.497 1.628 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129780911 205209754 /nfs/dbraw/zinc/20/97/54/205209754.db2.gz PMMMJTDHFZKXPI-INIZCTEOSA-N 1 3 348.491 1.720 20 0 EDADHO [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000237845405 139061727 /nfs/dbraw/zinc/06/17/27/139061727.db2.gz BSUUPFRJABLFBM-GJZGRUSLSA-N 1 3 325.522 1.982 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000111805291 220193620 /nfs/dbraw/zinc/19/36/20/220193620.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000111805291 220193622 /nfs/dbraw/zinc/19/36/22/220193622.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000246921408 139127018 /nfs/dbraw/zinc/12/70/18/139127018.db2.gz GJYJVMRHQNIOPQ-HLLBOEOZSA-N 1 3 339.505 1.592 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000415388931 304211484 /nfs/dbraw/zinc/21/14/84/304211484.db2.gz SJHCMPWWWKQHGR-CQSZACIVSA-N 1 3 346.475 1.315 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000248398043 139161966 /nfs/dbraw/zinc/16/19/66/139161966.db2.gz MMJBRDLWLHZFJL-QZTJIDSGSA-N 1 3 332.492 1.432 20 0 EDADHO CCOC(=O)[C@H](C)[C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524465 250567514 /nfs/dbraw/zinc/56/75/14/250567514.db2.gz AWDCXEYBBZJVIU-KGLIPLIRSA-N 1 3 327.469 1.153 20 0 EDADHO COc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261645240 139214125 /nfs/dbraw/zinc/21/41/25/139214125.db2.gz IZOIHURTUKIRPM-FUHWJXTLSA-N 1 3 331.460 1.775 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415454970 304222411 /nfs/dbraw/zinc/22/24/11/304222411.db2.gz VPVUOPNTXNOEQL-GOEBONIOSA-N 1 3 346.475 1.581 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000261831630 139229907 /nfs/dbraw/zinc/22/99/07/139229907.db2.gz QAMRBLQDVDGYBH-MOPGFXCFSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000261899743 139235281 /nfs/dbraw/zinc/23/52/81/139235281.db2.gz UWIFZKWAJUYURK-BBRMVZONSA-N 1 3 332.448 1.529 20 0 EDADHO C[C@H]([NH3+])CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000261886540 139234071 /nfs/dbraw/zinc/23/40/71/139234071.db2.gz VHVPYEVPXLDWOZ-YJBOKZPZSA-N 1 3 333.476 1.628 20 0 EDADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000261911471 139236384 /nfs/dbraw/zinc/23/63/84/139236384.db2.gz XPIFACOKWNAZSG-DOTOQJQBSA-N 1 3 333.480 1.323 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2cccc(Cl)c2)C1 ZINC000261959576 139240025 /nfs/dbraw/zinc/24/00/25/139240025.db2.gz OMMVKHMISUEZBI-ZDUSSCGKSA-N 1 3 325.840 1.506 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000261999471 139242835 /nfs/dbraw/zinc/24/28/35/139242835.db2.gz UXTCZFFUSWUGAP-CYBMUJFWSA-N 1 3 325.840 1.506 20 0 EDADHO c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110087 139251688 /nfs/dbraw/zinc/25/16/88/139251688.db2.gz KEKLWSWIMGTDBV-QUCCMNQESA-N 1 3 345.487 1.724 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000417012344 251129965 /nfs/dbraw/zinc/12/99/65/251129965.db2.gz XCUHOHTXLJBXNS-CABCVRRESA-N 1 3 340.493 1.419 20 0 EDADHO CC[NH2+]CCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417026104 251139332 /nfs/dbraw/zinc/13/93/32/251139332.db2.gz RZGAFCALASDNKK-UHFFFAOYSA-N 1 3 347.507 1.103 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417574514 251194506 /nfs/dbraw/zinc/19/45/06/251194506.db2.gz ZECSTNVWTDXGNV-OKZBNKHCSA-N 1 3 346.475 1.152 20 0 EDADHO C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596322 251202162 /nfs/dbraw/zinc/20/21/62/251202162.db2.gz ZUBWYRUHLRUEBD-LPHOPBHVSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)C1(CNC(=O)N(C)CC(C)(C)C[NH3+])Cc2ccccc2C1 ZINC000417730182 251247361 /nfs/dbraw/zinc/24/73/61/251247361.db2.gz DEOXLUXCZFBHOX-UHFFFAOYSA-N 1 3 332.492 1.712 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827083 251286509 /nfs/dbraw/zinc/28/65/09/251286509.db2.gz FGMMDQRHGXAHCQ-MDZRGWNJSA-N 1 3 333.476 1.898 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417841125 251294344 /nfs/dbraw/zinc/29/43/44/251294344.db2.gz SMQPYPXOMHJVGD-RHSMWYFYSA-N 1 3 341.459 1.869 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109419 251325558 /nfs/dbraw/zinc/32/55/58/251325558.db2.gz CSOZWMODJRRWNP-BZUAXINKSA-N 1 3 326.485 1.304 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN(C)CC1 ZINC000418193932 251353102 /nfs/dbraw/zinc/35/31/02/251353102.db2.gz CTEORZXBZQZZQC-ZIAGYGMSSA-N 1 3 326.510 1.065 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751787 251411299 /nfs/dbraw/zinc/41/12/99/251411299.db2.gz RQNOIEVXHIAJEL-KGLIPLIRSA-N 1 3 344.381 1.725 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262553024 139286092 /nfs/dbraw/zinc/28/60/92/139286092.db2.gz ZMJGGPKOCXCJMY-KBPBESRZSA-N 1 3 332.448 1.434 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418626040 251380668 /nfs/dbraw/zinc/38/06/68/251380668.db2.gz KQFTXYJBTGZRKN-DOTOQJQBSA-N 1 3 333.480 1.685 20 0 EDADHO CN(C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262841813 139307261 /nfs/dbraw/zinc/30/72/61/139307261.db2.gz RIDURLGQCQIULO-FUHWJXTLSA-N 1 3 341.459 1.840 20 0 EDADHO CC(C)[C@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000423357610 252052888 /nfs/dbraw/zinc/05/28/88/252052888.db2.gz MJZYVBKHGQEHHG-PBHICJAKSA-N 1 3 348.491 1.214 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)N(CC)CC ZINC000423993923 252110408 /nfs/dbraw/zinc/11/04/08/252110408.db2.gz BJZPROGSNPVNNR-GVDBMIGSSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424004284 252112361 /nfs/dbraw/zinc/11/23/61/252112361.db2.gz FDYIPKXHPORKPE-MSOLQXFVSA-N 1 3 344.503 1.642 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791142 252075260 /nfs/dbraw/zinc/07/52/60/252075260.db2.gz GYDNUUWLQHMGBF-SZMVWBNQSA-N 1 3 332.492 1.981 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424135273 252138884 /nfs/dbraw/zinc/13/88/84/252138884.db2.gz OTEJSAAZTANMNM-JKSUJKDBSA-N 1 3 345.491 1.588 20 0 EDADHO COC(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000173966499 532954444 /nfs/dbraw/zinc/95/44/44/532954444.db2.gz NJBHSOFECLNOPI-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424474469 252245021 /nfs/dbraw/zinc/24/50/21/252245021.db2.gz XOQDZPGAFPCZLO-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000349912900 285033551 /nfs/dbraw/zinc/03/35/51/285033551.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000349912900 285033552 /nfs/dbraw/zinc/03/35/52/285033552.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)[C@@H]1C[NH3+] ZINC000361956777 296383274 /nfs/dbraw/zinc/38/32/74/296383274.db2.gz ACTXYGBHEALDLC-NVXWUHKLSA-N 1 3 333.480 1.568 20 0 EDADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](CN)OC)ccc21 ZINC000570329637 306537579 /nfs/dbraw/zinc/53/75/79/306537579.db2.gz SRTHOYSVCURFTL-KRWDZBQOSA-N 1 3 332.448 1.895 20 0 EDADHO O=C1O[C@@]2(CN1CN1CC[C@H]([NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000495860174 296411230 /nfs/dbraw/zinc/41/12/30/296411230.db2.gz XGAIHJANMLMJQI-FUHWJXTLSA-N 1 3 334.464 1.031 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581026 285242866 /nfs/dbraw/zinc/24/28/66/285242866.db2.gz NUAYREZRRGJAIE-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581026 285242871 /nfs/dbraw/zinc/24/28/71/285242871.db2.gz NUAYREZRRGJAIE-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415788592 304271457 /nfs/dbraw/zinc/27/14/57/304271457.db2.gz QPXZEGGZWQMLCW-CVEARBPZSA-N 1 3 344.459 1.206 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264268942 139391942 /nfs/dbraw/zinc/39/19/42/139391942.db2.gz HCCNIAMNOFWNHN-KRWDZBQOSA-N 1 3 348.491 1.563 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)C1 ZINC000333313862 141297478 /nfs/dbraw/zinc/29/74/78/141297478.db2.gz MBORKCPPNMVQRM-DNVCBOLYSA-N 1 3 343.475 1.847 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333521248 141331123 /nfs/dbraw/zinc/33/11/23/141331123.db2.gz GRPAADYLNCAEOR-WMZOPIPTSA-N 1 3 343.475 1.691 20 0 EDADHO CCc1nc2n(n1)C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CC2 ZINC000333695568 141360197 /nfs/dbraw/zinc/36/01/97/141360197.db2.gz COQDFLCNTNBEDT-OAHLLOKOSA-N 1 3 326.448 1.809 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NCCC[NH+]2CCCC2)ccn1 ZINC000342740489 142751532 /nfs/dbraw/zinc/75/15/32/142751532.db2.gz UZNFVTSABXJLKX-UHFFFAOYSA-N 1 3 349.479 1.307 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC[C@H](F)C3)CC2)CC1 ZINC000344702611 143000512 /nfs/dbraw/zinc/00/05/12/143000512.db2.gz SYYAHHUQXMDNJT-DZGCQCFKSA-N 1 3 326.460 1.735 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345688426 143121663 /nfs/dbraw/zinc/12/16/63/143121663.db2.gz ILBWMAQOXXFABL-AWEZNQCLSA-N 1 3 329.391 1.616 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)CNC2 ZINC000347546226 143333529 /nfs/dbraw/zinc/33/35/29/143333529.db2.gz DNHMJHIAGVTSOQ-CQSZACIVSA-N 1 3 329.444 1.521 20 0 EDADHO Cc1nccc(NCCCC[NH+]2CCN(CCO)CC2)c1Cl ZINC000352849775 149189847 /nfs/dbraw/zinc/18/98/47/149189847.db2.gz PUNQMSCODIEQTK-UHFFFAOYSA-N 1 3 326.872 1.267 20 0 EDADHO CCOC1CC(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000352872339 149197939 /nfs/dbraw/zinc/19/79/39/149197939.db2.gz MIKLXBVRXCPSCW-AQFXKWCLSA-N 1 3 325.497 1.676 20 0 EDADHO CCOC1CC(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000352872339 149197941 /nfs/dbraw/zinc/19/79/41/149197941.db2.gz MIKLXBVRXCPSCW-AQFXKWCLSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000416972835 304358322 /nfs/dbraw/zinc/35/83/22/304358322.db2.gz ISZBPNIJVXLRAS-MAUKXSAKSA-N 1 3 330.476 1.682 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000416974146 304358555 /nfs/dbraw/zinc/35/85/55/304358555.db2.gz WJHDURLOPCZLSO-RYQLBKOJSA-N 1 3 346.475 1.506 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417030077 304362561 /nfs/dbraw/zinc/36/25/61/304362561.db2.gz WCAFZHVRJXUHNL-QGZVFWFLSA-N 1 3 347.507 1.101 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417045105 304365780 /nfs/dbraw/zinc/36/57/80/304365780.db2.gz YVQLGWXWUSVWMZ-MGPQQGTHSA-N 1 3 332.439 1.651 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000357871348 151179334 /nfs/dbraw/zinc/17/93/34/151179334.db2.gz OFGBHVDRQPSXJD-NEWSRXKRSA-N 1 3 344.503 1.492 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357922784 151197911 /nfs/dbraw/zinc/19/79/11/151197911.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 1 3 327.517 1.040 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357922784 151197915 /nfs/dbraw/zinc/19/79/15/151197915.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 1 3 327.517 1.040 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000358286594 151326505 /nfs/dbraw/zinc/32/65/05/151326505.db2.gz BEGYIGWBYKWXDW-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000358286594 151326508 /nfs/dbraw/zinc/32/65/08/151326508.db2.gz BEGYIGWBYKWXDW-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358491439 151392956 /nfs/dbraw/zinc/39/29/56/151392956.db2.gz FFBPTNQUHVPBOK-PMPSAXMXSA-N 1 3 340.512 1.467 20 0 EDADHO CC(C)(C[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417140401 304376978 /nfs/dbraw/zinc/37/69/78/304376978.db2.gz DRFUUMDYZXRCBE-UHFFFAOYSA-N 1 3 347.507 1.625 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000360739031 152177797 /nfs/dbraw/zinc/17/77/97/152177797.db2.gz QZDJCJGUWYYIEE-DOTOQJQBSA-N 1 3 340.537 1.694 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000360743693 152180842 /nfs/dbraw/zinc/18/08/42/152180842.db2.gz FYCHPTGPIJPVSQ-IJEWVQPXSA-N 1 3 328.526 1.548 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000360743693 152180843 /nfs/dbraw/zinc/18/08/43/152180843.db2.gz FYCHPTGPIJPVSQ-IJEWVQPXSA-N 1 3 328.526 1.548 20 0 EDADHO [NH3+][C@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000417148591 304377973 /nfs/dbraw/zinc/37/79/73/304377973.db2.gz HCWMRWURJCQGSQ-KRWDZBQOSA-N 1 3 345.491 1.331 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000363689802 153030792 /nfs/dbraw/zinc/03/07/92/153030792.db2.gz VAGOFHKNPNVRKA-BRWVUGGUSA-N 1 3 325.497 1.772 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c(C)c2)CC1 ZINC000364239901 153183829 /nfs/dbraw/zinc/18/38/29/153183829.db2.gz CGUMIZUWAKETNW-GOSISDBHSA-N 1 3 334.439 1.777 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000417201577 304384199 /nfs/dbraw/zinc/38/41/99/304384199.db2.gz WQSAQZUJIZLRRS-NXHRZFHOSA-N 1 3 332.492 1.928 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000417198591 304383871 /nfs/dbraw/zinc/38/38/71/304383871.db2.gz RQLIYHLFQXZSKL-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H]1CN(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCO1 ZINC000367253005 154055635 /nfs/dbraw/zinc/05/56/35/154055635.db2.gz SLWYVSQJFLSDFO-SFHVURJKSA-N 1 3 338.540 1.057 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367283616 154066737 /nfs/dbraw/zinc/06/67/37/154066737.db2.gz XPVIDUQGZAITRW-INIZCTEOSA-N 1 3 345.443 1.452 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417372597 304395184 /nfs/dbraw/zinc/39/51/84/304395184.db2.gz XHWBAVAIHSGDKE-LJQANCHMSA-N 1 3 348.491 1.816 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000417533758 304403846 /nfs/dbraw/zinc/40/38/46/304403846.db2.gz YGSHVWPHWKVNPG-RDJZCZTQSA-N 1 3 348.491 1.548 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)C1 ZINC000378200728 158106417 /nfs/dbraw/zinc/10/64/17/158106417.db2.gz MGJZYAJBWLAPKT-QZTJIDSGSA-N 1 3 330.476 1.315 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H](N)c3ccccc3)CC2)C1 ZINC000378200728 158106421 /nfs/dbraw/zinc/10/64/21/158106421.db2.gz MGJZYAJBWLAPKT-QZTJIDSGSA-N 1 3 330.476 1.315 20 0 EDADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](CCC[NH3+])COC)c1 ZINC000423169946 286692602 /nfs/dbraw/zinc/69/26/02/286692602.db2.gz KQYRPSRIJZXYKN-AWEZNQCLSA-N 1 3 348.896 1.977 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519191 161784657 /nfs/dbraw/zinc/78/46/57/161784657.db2.gz DEOIVMUAQLFQRM-HZPDHXFCSA-N 1 3 338.496 1.223 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000352208458 162050612 /nfs/dbraw/zinc/05/06/12/162050612.db2.gz OAHIZMVNLHNISZ-INIZCTEOSA-N 1 3 328.501 1.328 20 0 EDADHO CCCCOC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138297 162369725 /nfs/dbraw/zinc/36/97/25/162369725.db2.gz GPZIJXAUTSIRGZ-AEFFLSMTSA-N 1 3 327.513 1.264 20 0 EDADHO C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H](c1ccccc1)N(C)C ZINC000418192064 304463316 /nfs/dbraw/zinc/46/33/16/304463316.db2.gz YFHNXTYSVWDAPL-IACUBPJLSA-N 1 3 328.407 1.960 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486964373 287157588 /nfs/dbraw/zinc/15/75/88/287157588.db2.gz HURWXWAEOUHXDV-RVKKMQEKSA-N 1 3 330.476 1.921 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486964373 287157590 /nfs/dbraw/zinc/15/75/90/287157590.db2.gz HURWXWAEOUHXDV-RVKKMQEKSA-N 1 3 330.476 1.921 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cc(F)cc(F)c1 ZINC000077802944 287290344 /nfs/dbraw/zinc/29/03/44/287290344.db2.gz QAUWAGZAWVSAHP-UHFFFAOYSA-N 1 3 342.434 1.642 20 0 EDADHO COC1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000167670732 226196610 /nfs/dbraw/zinc/19/66/10/226196610.db2.gz IQXAKAFYGYANGC-UHFFFAOYSA-N 1 3 345.487 1.878 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000418457099 304497489 /nfs/dbraw/zinc/49/74/89/304497489.db2.gz GMKHKMUNDXSNQJ-QAPCUYQASA-N 1 3 348.491 1.598 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261662799 273017107 /nfs/dbraw/zinc/01/71/07/273017107.db2.gz FTYRELXXEBZFHW-MSOLQXFVSA-N 1 3 331.460 1.582 20 0 EDADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCOCC1 ZINC000277114039 273180097 /nfs/dbraw/zinc/18/00/97/273180097.db2.gz XYDWOHCBZSAINY-SFHVURJKSA-N 1 3 334.460 1.538 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280785170 273398080 /nfs/dbraw/zinc/39/80/80/273398080.db2.gz IRMWRVHDSGNHME-APWZRJJASA-N 1 3 331.460 1.633 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H]2CCc3ccccc3NC2=O)CC1 ZINC000248893701 274267906 /nfs/dbraw/zinc/26/79/06/274267906.db2.gz SUOWNQZEWDRLLO-BEFAXECRSA-N 1 3 345.487 1.965 20 0 EDADHO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414754890 276280090 /nfs/dbraw/zinc/28/00/90/276280090.db2.gz GOLLMKQCNABSDC-YJBOKZPZSA-N 1 3 339.480 1.382 20 0 EDADHO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414754890 276280092 /nfs/dbraw/zinc/28/00/92/276280092.db2.gz GOLLMKQCNABSDC-YJBOKZPZSA-N 1 3 339.480 1.382 20 0 EDADHO CN([C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000371473191 277002366 /nfs/dbraw/zinc/00/23/66/277002366.db2.gz LXBJHDKPZBSEGF-YSIASYRMSA-N 1 3 329.488 1.745 20 0 EDADHO CN([C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000371473191 277002368 /nfs/dbraw/zinc/00/23/68/277002368.db2.gz LXBJHDKPZBSEGF-YSIASYRMSA-N 1 3 329.488 1.745 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000286307929 287979136 /nfs/dbraw/zinc/97/91/36/287979136.db2.gz XUHANEFJFONNNM-AWEZNQCLSA-N 1 3 325.403 1.855 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237548512 277965233 /nfs/dbraw/zinc/96/52/33/277965233.db2.gz BMQFVKLUUWUSAT-BZUAXINKSA-N 1 3 327.538 1.956 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417021865 278230147 /nfs/dbraw/zinc/23/01/47/278230147.db2.gz NTPKXIIHQMPFDJ-WMZOPIPTSA-N 1 3 347.507 1.402 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000424045067 278350804 /nfs/dbraw/zinc/35/08/04/278350804.db2.gz STYMWPMLZFXEFO-QZTJIDSGSA-N 1 3 349.519 1.866 20 0 EDADHO C[NH+]1CCC(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000286864867 288107873 /nfs/dbraw/zinc/10/78/73/288107873.db2.gz BIXMVZYOCFKZQA-CQSZACIVSA-N 1 3 343.518 1.585 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000659949745 452844017 /nfs/dbraw/zinc/84/40/17/452844017.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 1 3 325.478 1.368 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000287478786 288246515 /nfs/dbraw/zinc/24/65/15/288246515.db2.gz WSQKQDNCHZTKCK-RDJZCZTQSA-N 1 3 336.480 1.555 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000287665812 288289301 /nfs/dbraw/zinc/28/93/01/288289301.db2.gz VNDRSXLAKGFTQH-CABCVRRESA-N 1 3 327.428 1.889 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000287665812 288289305 /nfs/dbraw/zinc/28/93/05/288289305.db2.gz VNDRSXLAKGFTQH-CABCVRRESA-N 1 3 327.428 1.889 20 0 EDADHO C[C@@H]1CNCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418112871 288317013 /nfs/dbraw/zinc/31/70/13/288317013.db2.gz ZGXMFHAFPDSCDM-LMWSTFAQSA-N 1 3 348.413 1.795 20 0 EDADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776780 295121620 /nfs/dbraw/zinc/12/16/20/295121620.db2.gz DLWJRPNDIZLTMP-KZNAEPCWSA-N 1 3 334.460 1.993 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417739662 297249458 /nfs/dbraw/zinc/24/94/58/297249458.db2.gz QQISFSMJFIFLHT-CABCVRRESA-N 1 3 330.476 1.464 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000339550137 297275976 /nfs/dbraw/zinc/27/59/76/297275976.db2.gz ZOOVXCVQXOGVJJ-HYVNUMGLSA-N 1 3 334.508 1.985 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861849 304540816 /nfs/dbraw/zinc/54/08/16/304540816.db2.gz NQVDAWBMKMYOGN-IAGOWNOFSA-N 1 3 346.475 1.039 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753918 447321938 /nfs/dbraw/zinc/32/19/38/447321938.db2.gz RJVJQFQNTLNBBW-HNNXBMFYSA-N 1 3 333.480 1.948 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000171194616 302942422 /nfs/dbraw/zinc/94/24/22/302942422.db2.gz KKNGYLPCWBQHBI-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000293950744 303042949 /nfs/dbraw/zinc/04/29/49/303042949.db2.gz VMSZGXDYKMUVFC-KRWDZBQOSA-N 1 3 332.492 1.513 20 0 EDADHO Cn1nccc1[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC(=O)N1C1CC1 ZINC000344994502 303085807 /nfs/dbraw/zinc/08/58/07/303085807.db2.gz BSAMCOCIOCTGEA-QAPCUYQASA-N 1 3 331.464 1.298 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000294993158 303160247 /nfs/dbraw/zinc/16/02/47/303160247.db2.gz HUPFCJAAYGPXDX-HOCLYGCPSA-N 1 3 346.475 1.711 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000294993158 303160248 /nfs/dbraw/zinc/16/02/48/303160248.db2.gz HUPFCJAAYGPXDX-HOCLYGCPSA-N 1 3 346.475 1.711 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cnn(-c2ccncc2)c1 ZINC000295418368 303215896 /nfs/dbraw/zinc/21/58/96/303215896.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 1 3 344.463 1.223 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cnn(-c2ccncc2)c1 ZINC000295418368 303215897 /nfs/dbraw/zinc/21/58/97/303215897.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 1 3 344.463 1.223 20 0 EDADHO CN(CCCN(C)C(=O)c1cnn(-c2ccncc2)c1)CC[NH+](C)C ZINC000295418368 303215900 /nfs/dbraw/zinc/21/59/00/303215900.db2.gz IFTPCCLKVRRNSX-UHFFFAOYSA-N 1 3 344.463 1.223 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843764 303274765 /nfs/dbraw/zinc/27/47/65/303274765.db2.gz WBIBMKQVUPUKHN-CYBMUJFWSA-N 1 3 331.464 1.691 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 ZINC000298597892 303537733 /nfs/dbraw/zinc/53/77/33/303537733.db2.gz CTTOVPUDMNATQS-UHFFFAOYSA-N 1 3 348.491 1.923 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000298644400 303541245 /nfs/dbraw/zinc/54/12/45/303541245.db2.gz TVVODFMMDHTALR-UHFFFAOYSA-N 1 3 336.480 1.768 20 0 EDADHO Brc1ccc2ncc(CNCCN3CC[NH2+]CC3)n2c1 ZINC000414872199 447336322 /nfs/dbraw/zinc/33/63/22/447336322.db2.gz VZVOWCCCUQOLJD-UHFFFAOYSA-N 1 3 338.253 1.092 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccc(C(=O)NC)c2)CC[NH2+]CC1 ZINC000422702318 304878727 /nfs/dbraw/zinc/87/87/27/304878727.db2.gz KJYYZMFMHOSPMG-CQSZACIVSA-N 1 3 347.459 1.457 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000423732023 304906742 /nfs/dbraw/zinc/90/67/42/304906742.db2.gz OLIJEANPNMXYCI-INIZCTEOSA-N 1 3 341.459 1.868 20 0 EDADHO C[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)N1CCCCCC1 ZINC000424007929 304924685 /nfs/dbraw/zinc/92/46/85/304924685.db2.gz GYWRECQRQQKSGW-KBAYOESNSA-N 1 3 337.508 1.996 20 0 EDADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430580981 305056971 /nfs/dbraw/zinc/05/69/71/305056971.db2.gz IHNVVIPFHIXGNU-SFHVURJKSA-N 1 3 333.480 1.083 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581874 305057053 /nfs/dbraw/zinc/05/70/53/305057053.db2.gz IJSSMTRUHQVWMT-GDBMZVCRSA-N 1 3 332.448 1.462 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430722498 305063342 /nfs/dbraw/zinc/06/33/42/305063342.db2.gz NBQHCDGXKCNKOG-XIRDDKMYSA-N 1 3 337.508 1.913 20 0 EDADHO Cc1c(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742242 305063846 /nfs/dbraw/zinc/06/38/46/305063846.db2.gz KYJNZQYTQPOTBG-ZIAGYGMSSA-N 1 3 348.495 1.504 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000431031095 305073268 /nfs/dbraw/zinc/07/32/68/305073268.db2.gz UTMDIOAWXXSGGJ-IBGZPJMESA-N 1 3 347.503 1.906 20 0 EDADHO CN(C)C[C@@H](NC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433161780 305102072 /nfs/dbraw/zinc/10/20/72/305102072.db2.gz YJKAKAAYZDNCSC-GOSISDBHSA-N 1 3 332.492 1.609 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106081 /nfs/dbraw/zinc/10/60/81/305106081.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106082 /nfs/dbraw/zinc/10/60/82/305106082.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453804 305109350 /nfs/dbraw/zinc/10/93/50/305109350.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453804 305109351 /nfs/dbraw/zinc/10/93/51/305109351.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)N1CCCCC1 ZINC000434448870 305122816 /nfs/dbraw/zinc/12/28/16/305122816.db2.gz RUEKQJQHINWWDT-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436471505 305157770 /nfs/dbraw/zinc/15/77/70/305157770.db2.gz UOIOJBARLSHOCL-INIZCTEOSA-N 1 3 345.491 1.227 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281448 305220194 /nfs/dbraw/zinc/22/01/94/305220194.db2.gz FIXQGPGPMUWDDV-JKSUJKDBSA-N 1 3 335.492 1.478 20 0 EDADHO CCOC1CC(O)(C[NH2+]Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000444005473 305242739 /nfs/dbraw/zinc/24/27/39/305242739.db2.gz RFFCBXLICXIMMD-UHFFFAOYSA-N 1 3 347.503 1.848 20 0 EDADHO COC(=O)COC[C@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449165846 305308545 /nfs/dbraw/zinc/30/85/45/305308545.db2.gz BDDALJZHJMMYSE-INIZCTEOSA-N 1 3 341.496 1.104 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)N2CCCC2)cc1 ZINC000449312502 305311001 /nfs/dbraw/zinc/31/10/01/305311001.db2.gz RDNVHOOKIVYPOB-OLMNPRSZSA-N 1 3 331.460 1.804 20 0 EDADHO CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCN2CC)on1 ZINC000448852062 447352181 /nfs/dbraw/zinc/35/21/81/447352181.db2.gz HSIRVUFYXJVVLX-AWEZNQCLSA-N 1 3 338.452 1.561 20 0 EDADHO CC[NH+](CC)CCCC1CCN(CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459400184 305520114 /nfs/dbraw/zinc/52/01/14/305520114.db2.gz BSUKOLKXBJXEMC-OAHLLOKOSA-N 1 3 338.496 1.761 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000516458872 305737031 /nfs/dbraw/zinc/73/70/31/305737031.db2.gz OJJGHBNYLIEXTE-GGXPGOJBSA-N 1 3 335.492 1.510 20 0 EDADHO C[C@H](CN)[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414928231 447361053 /nfs/dbraw/zinc/36/10/53/447361053.db2.gz MAUNDZIPWHVLFX-CYBMUJFWSA-N 1 3 327.856 1.488 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C)CC1 ZINC000425938423 447364590 /nfs/dbraw/zinc/36/45/90/447364590.db2.gz WVOSLJPFACYWBA-LSDHHAIUSA-N 1 3 341.496 1.354 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C)CC1 ZINC000425938423 447364594 /nfs/dbraw/zinc/36/45/94/447364594.db2.gz WVOSLJPFACYWBA-LSDHHAIUSA-N 1 3 341.496 1.354 20 0 EDADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccco1 ZINC000531317714 305957119 /nfs/dbraw/zinc/95/71/19/305957119.db2.gz LDIAXBCBNBSQLQ-AWEZNQCLSA-N 1 3 326.441 1.102 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000414943264 447367523 /nfs/dbraw/zinc/36/75/23/447367523.db2.gz FFOSMKDSZQUMAV-CVEARBPZSA-N 1 3 332.448 1.334 20 0 EDADHO CN(CCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccncc1 ZINC000542784788 306058342 /nfs/dbraw/zinc/05/83/42/306058342.db2.gz NNIDGPXGJJNYCE-OKZBNKHCSA-N 1 3 346.475 1.618 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000543713869 306067622 /nfs/dbraw/zinc/06/76/22/306067622.db2.gz LMSKQPCXCGMGMN-FUHWJXTLSA-N 1 3 331.460 1.900 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000543713869 306067623 /nfs/dbraw/zinc/06/76/23/306067623.db2.gz LMSKQPCXCGMGMN-FUHWJXTLSA-N 1 3 331.460 1.900 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000547363269 306099060 /nfs/dbraw/zinc/09/90/60/306099060.db2.gz VWOGYBJNVKLPJG-AEFFLSMTSA-N 1 3 340.512 1.326 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)C[C@@H](C)O)CC2)CC1 ZINC000553497640 306185745 /nfs/dbraw/zinc/18/57/45/306185745.db2.gz FSEULPCNCWVMKL-HZPDHXFCSA-N 1 3 339.524 1.706 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000556850434 306220062 /nfs/dbraw/zinc/22/00/62/306220062.db2.gz ALSXPVRXZRFXRM-HXUWFJFHSA-N 1 3 345.487 1.715 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422170579 447385613 /nfs/dbraw/zinc/38/56/13/447385613.db2.gz FJUHTYXFVOXNQA-KRWDZBQOSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422170579 447385619 /nfs/dbraw/zinc/38/56/19/447385619.db2.gz FJUHTYXFVOXNQA-KRWDZBQOSA-N 1 3 340.512 1.611 20 0 EDADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000415109403 447388683 /nfs/dbraw/zinc/38/86/83/447388683.db2.gz PKJVYQOERCZMDB-KBPBESRZSA-N 1 3 335.448 1.552 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422184146 447392881 /nfs/dbraw/zinc/39/28/81/447392881.db2.gz XSCYFLVYLJSDMW-QZTJIDSGSA-N 1 3 332.492 1.895 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422184146 447392887 /nfs/dbraw/zinc/39/28/87/447392887.db2.gz XSCYFLVYLJSDMW-QZTJIDSGSA-N 1 3 332.492 1.895 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)ccc1CN(C)C ZINC000415430458 447431496 /nfs/dbraw/zinc/43/14/96/447431496.db2.gz RHORBIBMYSXKHX-MRXNPFEDSA-N 1 3 334.464 1.485 20 0 EDADHO C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000458635156 447433778 /nfs/dbraw/zinc/43/37/78/447433778.db2.gz ATHAEAGMZSUICF-KRWDZBQOSA-N 1 3 348.491 1.393 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458638998 447434116 /nfs/dbraw/zinc/43/41/16/447434116.db2.gz ACWBLORQUZTJNE-MRXNPFEDSA-N 1 3 328.501 1.469 20 0 EDADHO Cc1cc(Br)oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212789 441178407 /nfs/dbraw/zinc/17/84/07/441178407.db2.gz LWXQJDDEPDVICE-UHFFFAOYSA-N 1 3 346.269 1.916 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCC(O)CC3)CC2)CC1 ZINC000051674613 441419112 /nfs/dbraw/zinc/41/91/12/441419112.db2.gz HLRADWOMBBPRTM-UHFFFAOYSA-N 1 3 338.496 1.148 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H](O)COCC)CC1 ZINC000088728500 441517755 /nfs/dbraw/zinc/51/77/55/441517755.db2.gz WJQFHJLSDXPFHP-GOSISDBHSA-N 1 3 335.492 1.706 20 0 EDADHO CC(C)[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)N(C)C ZINC000089344641 441538770 /nfs/dbraw/zinc/53/87/70/441538770.db2.gz GLULHPKBVAYRLJ-QGZVFWFLSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)C[NH+]1CCCC1 ZINC000136517075 441702281 /nfs/dbraw/zinc/70/22/81/441702281.db2.gz CJVWBDBGWOJTTO-OAHLLOKOSA-N 1 3 334.464 1.484 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1(O)CCN(C)CC1 ZINC000077788763 441861014 /nfs/dbraw/zinc/86/10/14/441861014.db2.gz SYBVTQIPSIKHEJ-BZUAXINKSA-N 1 3 340.512 1.109 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)COC1 ZINC000174884395 441978376 /nfs/dbraw/zinc/97/83/76/441978376.db2.gz GRVFBVKBWMIQIS-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)COC1 ZINC000174884395 441978381 /nfs/dbraw/zinc/97/83/81/441978381.db2.gz GRVFBVKBWMIQIS-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000119867223 441967326 /nfs/dbraw/zinc/96/73/26/441967326.db2.gz ZIQJDTRXALQSDB-HKUYNNGSSA-N 1 3 348.491 1.435 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000168099643 442223001 /nfs/dbraw/zinc/22/30/01/442223001.db2.gz LLAVARFPMDRAJF-RTBURBONSA-N 1 3 345.487 1.690 20 0 EDADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000168100262 442223374 /nfs/dbraw/zinc/22/33/74/442223374.db2.gz KEDUDBXECAEWGT-ZWKOTPCHSA-N 1 3 331.460 1.158 20 0 EDADHO CC1(C)C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C(C)(C)O1 ZINC000168950184 442225639 /nfs/dbraw/zinc/22/56/39/442225639.db2.gz PLLYTRLPMXTKSN-INIZCTEOSA-N 1 3 327.513 1.312 20 0 EDADHO C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1 ZINC000153401724 442280639 /nfs/dbraw/zinc/28/06/39/442280639.db2.gz SRNVYWYHOOKTGY-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189343 442325147 /nfs/dbraw/zinc/32/51/47/442325147.db2.gz JWFBKTNZDMQMBU-SFHVURJKSA-N 1 3 348.491 1.701 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)[C@H](C)C1 ZINC000129642589 442326331 /nfs/dbraw/zinc/32/63/31/442326331.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)[C@H](C)C1 ZINC000129642589 442326344 /nfs/dbraw/zinc/32/63/44/442326344.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO Cc1cc(C)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000130536105 442348967 /nfs/dbraw/zinc/34/89/67/442348967.db2.gz JSJIOWNEGHSQBY-UHFFFAOYSA-N 1 3 348.491 1.502 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000177995173 442400638 /nfs/dbraw/zinc/40/06/38/442400638.db2.gz GJYJVMRHQNIOPQ-YQQAZPJKSA-N 1 3 339.505 1.592 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428087 442417695 /nfs/dbraw/zinc/41/76/95/442417695.db2.gz JZSAGDYSKNMEJP-AEFFLSMTSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428087 442417698 /nfs/dbraw/zinc/41/76/98/442417698.db2.gz JZSAGDYSKNMEJP-AEFFLSMTSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178484709 442437492 /nfs/dbraw/zinc/43/74/92/442437492.db2.gz OPGSNXSPSIZBEM-CVEARBPZSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856911 442505388 /nfs/dbraw/zinc/50/53/88/442505388.db2.gz SWSKSFAPFJGEDB-BQFCYCMXSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(C[C@H]1CSCCN1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186590274 442567419 /nfs/dbraw/zinc/56/74/19/442567419.db2.gz NTQJFJNGRBZYJK-IRXDYDNUSA-N 1 3 348.516 1.647 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000192747925 442683131 /nfs/dbraw/zinc/68/31/31/442683131.db2.gz JWTQJXKDOBTJIW-IBGZPJMESA-N 1 3 338.540 1.199 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000192747925 442683133 /nfs/dbraw/zinc/68/31/33/442683133.db2.gz JWTQJXKDOBTJIW-IBGZPJMESA-N 1 3 338.540 1.199 20 0 EDADHO CCC[C@@H](C)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953162 442671501 /nfs/dbraw/zinc/67/15/01/442671501.db2.gz ASKLCIFYTDUCCE-HZPDHXFCSA-N 1 3 326.529 1.638 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000193382188 442737736 /nfs/dbraw/zinc/73/77/36/442737736.db2.gz SDTZFFAHJLGKBY-UHFFFAOYSA-N 1 3 330.476 1.700 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000246581670 442795082 /nfs/dbraw/zinc/79/50/82/442795082.db2.gz VPRPYHQOXBRMCW-ZNMIVQPWSA-N 1 3 348.495 1.299 20 0 EDADHO Cc1cc(=O)oc2cc(OCC[N@@H+]3C[C@H]4CN(C)C[C@H]4C3)ccc12 ZINC000193607626 442758963 /nfs/dbraw/zinc/75/89/63/442758963.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 1 3 328.412 1.974 20 0 EDADHO Cc1cc(=O)oc2cc(OCC[N@H+]3C[C@H]4CN(C)C[C@H]4C3)ccc12 ZINC000193607626 442758965 /nfs/dbraw/zinc/75/89/65/442758965.db2.gz JNSINJYHAOGLAS-GASCZTMLSA-N 1 3 328.412 1.974 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265683002 442878513 /nfs/dbraw/zinc/87/85/13/442878513.db2.gz CDXPWWYUJSLDPJ-SJORKVTESA-N 1 3 334.464 1.309 20 0 EDADHO CC[C@@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065326 442879578 /nfs/dbraw/zinc/87/95/78/442879578.db2.gz ZIRVXOWVMKWEKH-OALUTQOASA-N 1 3 346.519 1.822 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)C[C@H]1C ZINC000248396296 442889667 /nfs/dbraw/zinc/88/96/67/442889667.db2.gz KCEHPMXVHRNVRZ-FGTMMUONSA-N 1 3 339.524 1.972 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H]1[NH+](C)C ZINC000268244516 442915849 /nfs/dbraw/zinc/91/58/49/442915849.db2.gz RTDTYJAJEGHJNS-NXHRZFHOSA-N 1 3 332.492 1.751 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396266 442974557 /nfs/dbraw/zinc/97/45/57/442974557.db2.gz QXXVHMJYROGXEC-KBAYOESNSA-N 1 3 330.476 1.852 20 0 EDADHO C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000268740530 443094381 /nfs/dbraw/zinc/09/43/81/443094381.db2.gz FVUSCVMVJOJMTL-GJZGRUSLSA-N 1 3 340.489 1.712 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1 ZINC000266367499 443108348 /nfs/dbraw/zinc/10/83/48/443108348.db2.gz BDLVSZJOPHOXSC-INIZCTEOSA-N 1 3 334.468 1.665 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1 ZINC000266367499 443108350 /nfs/dbraw/zinc/10/83/50/443108350.db2.gz BDLVSZJOPHOXSC-INIZCTEOSA-N 1 3 334.468 1.665 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)[C@@H](C)C1 ZINC000268800766 443112593 /nfs/dbraw/zinc/11/25/93/443112593.db2.gz KBZQUMRCYWKFDB-QFBILLFUSA-N 1 3 345.487 1.979 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185414650 443196316 /nfs/dbraw/zinc/19/63/16/443196316.db2.gz NHSSRZQSRADFIN-OAHLLOKOSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@H+](CCNC(=O)NC(C)(C)CCN1CCN(C)CC1)C1CC1 ZINC000185318529 443181893 /nfs/dbraw/zinc/18/18/93/443181893.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@@H+](CCNC(=O)NC(C)(C)CCN1CCN(C)CC1)C1CC1 ZINC000185318529 443181894 /nfs/dbraw/zinc/18/18/94/443181894.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331941 443190611 /nfs/dbraw/zinc/19/06/11/443190611.db2.gz SHTPFAKXZUKPKC-HNNXBMFYSA-N 1 3 331.464 1.095 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475949 319109443 /nfs/dbraw/zinc/10/94/43/319109443.db2.gz QHQSJORZNQJTCS-MRXNPFEDSA-N 1 3 348.491 1.863 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453201 319134710 /nfs/dbraw/zinc/13/47/10/319134710.db2.gz PYOYQUIHPRDADJ-WCVJEAGWSA-N 1 3 341.496 1.941 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453201 319134713 /nfs/dbraw/zinc/13/47/13/319134713.db2.gz PYOYQUIHPRDADJ-WCVJEAGWSA-N 1 3 341.496 1.941 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269252174 443251164 /nfs/dbraw/zinc/25/11/64/443251164.db2.gz HWXPKXWXZXIVJI-GOSISDBHSA-N 1 3 349.475 1.402 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000414654451 319336789 /nfs/dbraw/zinc/33/67/89/319336789.db2.gz GBFXGARBRINRHW-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO COCC[N@@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675475 319339753 /nfs/dbraw/zinc/33/97/53/319339753.db2.gz FYAMNENLLMOIOS-CQSZACIVSA-N 1 3 325.478 1.394 20 0 EDADHO COCC[N@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414675475 319339754 /nfs/dbraw/zinc/33/97/54/319339754.db2.gz FYAMNENLLMOIOS-CQSZACIVSA-N 1 3 325.478 1.394 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000414675493 319339758 /nfs/dbraw/zinc/33/97/58/319339758.db2.gz GANNRKWIJMITFG-UHFFFAOYSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679923 319340920 /nfs/dbraw/zinc/34/09/20/319340920.db2.gz MFAOJJZAORYSEP-IRXDYDNUSA-N 1 3 327.476 1.840 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000414683767 319341507 /nfs/dbraw/zinc/34/15/07/319341507.db2.gz UOWHOQHCQMAOFJ-INIZCTEOSA-N 1 3 343.471 1.779 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000415085200 319346441 /nfs/dbraw/zinc/34/64/41/319346441.db2.gz QMOKAMISNBUEPG-HNNXBMFYSA-N 1 3 345.422 1.298 20 0 EDADHO CCOC(=O)[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191386960 443288405 /nfs/dbraw/zinc/28/84/05/443288405.db2.gz XSBNRWAWGWNDOU-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO CCOC(=O)[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191386960 443288409 /nfs/dbraw/zinc/28/84/09/443288409.db2.gz XSBNRWAWGWNDOU-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO COCC1(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000416813648 319462645 /nfs/dbraw/zinc/46/26/45/319462645.db2.gz UVQVYMPBWKQLTK-KRWDZBQOSA-N 1 3 348.491 1.605 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272754159 443433847 /nfs/dbraw/zinc/43/38/47/443433847.db2.gz JJRPDFSQIXKSPJ-CRAIPNDOSA-N 1 3 348.491 1.393 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309473 319763220 /nfs/dbraw/zinc/76/32/20/319763220.db2.gz LKWGSAGGMJGJJC-MSOLQXFVSA-N 1 3 341.459 1.840 20 0 EDADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)[C@H](C)CO ZINC000273997061 443590563 /nfs/dbraw/zinc/59/05/63/443590563.db2.gz KFQPQKYHOURSIK-ZACQAIPSSA-N 1 3 347.503 1.762 20 0 EDADHO O=C(NC[C@H](O)CN1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368397 443566391 /nfs/dbraw/zinc/56/63/91/443566391.db2.gz LHARLKKNIAYSSR-SFHVURJKSA-N 1 3 343.471 1.150 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000267764374 443569659 /nfs/dbraw/zinc/56/96/59/443569659.db2.gz KIKPRKWHGKVFPA-KRWDZBQOSA-N 1 3 344.459 1.036 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)c3ccnc(OCC[NH+](C)C)c3)[C@@H]2C1 ZINC000272261031 443572219 /nfs/dbraw/zinc/57/22/19/443572219.db2.gz APORXECWKMWWAQ-GOEBONIOSA-N 1 3 332.448 1.188 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](CCO)CCCOC)CC1 ZINC000438339511 320033849 /nfs/dbraw/zinc/03/38/49/320033849.db2.gz IGDAAHTUHCKKKA-UHFFFAOYSA-N 1 3 335.492 1.659 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](CCO)CCCOC)CC1 ZINC000438339511 320033850 /nfs/dbraw/zinc/03/38/50/320033850.db2.gz IGDAAHTUHCKKKA-UHFFFAOYSA-N 1 3 335.492 1.659 20 0 EDADHO CN(C)CCOCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455841693 320304515 /nfs/dbraw/zinc/30/45/15/320304515.db2.gz FDVUCKPWHSBHHM-KRWDZBQOSA-N 1 3 334.464 1.935 20 0 EDADHO CC(C)(CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000457449097 320326304 /nfs/dbraw/zinc/32/63/04/320326304.db2.gz FSMONPQIAJIMGD-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711505 320339190 /nfs/dbraw/zinc/33/91/90/320339190.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711505 320339191 /nfs/dbraw/zinc/33/91/91/320339191.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 1 3 340.512 1.518 20 0 EDADHO COc1ccccc1-c1ncc(CNCCOCC[NH+](C)C)cn1 ZINC000491349004 320369061 /nfs/dbraw/zinc/36/90/61/320369061.db2.gz UDFHYJPWCCTBSF-UHFFFAOYSA-N 1 3 330.432 1.820 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512420761 320428397 /nfs/dbraw/zinc/42/83/97/320428397.db2.gz FFBPTNQUHVPBOK-JYJNAYRXSA-N 1 3 340.512 1.467 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CC[C@](C)(C(N)=O)C1)C1CCN(C)CC1 ZINC000280341394 443697979 /nfs/dbraw/zinc/69/79/79/443697979.db2.gz SBLDAQDVDNAAGO-FQEVSTJZSA-N 1 3 344.503 1.914 20 0 EDADHO CN(c1ccccc1C[N@H+]1CC[C@](C)(C(N)=O)C1)C1CCN(C)CC1 ZINC000280341394 443697981 /nfs/dbraw/zinc/69/79/81/443697981.db2.gz SBLDAQDVDNAAGO-FQEVSTJZSA-N 1 3 344.503 1.914 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC000276424196 443701941 /nfs/dbraw/zinc/70/19/41/443701941.db2.gz GQERNXJQLXXFKL-HNNXBMFYSA-N 1 3 332.448 1.364 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000293168325 443942145 /nfs/dbraw/zinc/94/21/45/443942145.db2.gz RUVSIEFYMFZEPN-QZTJIDSGSA-N 1 3 336.476 1.499 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)cc1 ZINC000293168325 443942147 /nfs/dbraw/zinc/94/21/47/443942147.db2.gz RUVSIEFYMFZEPN-QZTJIDSGSA-N 1 3 336.476 1.499 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277164192 443924553 /nfs/dbraw/zinc/92/45/53/443924553.db2.gz KICGCUVDYSGJCY-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277164192 443924556 /nfs/dbraw/zinc/92/45/56/443924556.db2.gz KICGCUVDYSGJCY-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NC3CCN(C)CC3)CC2)CC1 ZINC000557418037 321004070 /nfs/dbraw/zinc/00/40/70/321004070.db2.gz MKNODXHPGLSJMC-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987216 321085215 /nfs/dbraw/zinc/08/52/15/321085215.db2.gz QXJUMZSVMXJOEF-TVFCKZIOSA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000564909691 321155919 /nfs/dbraw/zinc/15/59/19/321155919.db2.gz NYSOAFJYHZZSBZ-UHFFFAOYSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000566176492 321221389 /nfs/dbraw/zinc/22/13/89/321221389.db2.gz NPBXDICCWJFMRZ-HUUCEWRRSA-N 1 3 325.522 1.852 20 0 EDADHO C[NH+](C)CCOc1cc(CNCCC(=O)Nc2cccnc2)ccn1 ZINC000567686349 321252352 /nfs/dbraw/zinc/25/23/52/321252352.db2.gz CBSMRBALTCUGCH-UHFFFAOYSA-N 1 3 343.431 1.535 20 0 EDADHO CN1CCC(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000567733765 321255889 /nfs/dbraw/zinc/25/58/89/321255889.db2.gz QOIBJNJRELJCTI-UHFFFAOYSA-N 1 3 346.475 1.251 20 0 EDADHO CCc1noc(-c2ccc(CCNC[C@@H](O)C[N@H+](C)C3CC3)cc2)n1 ZINC000568501537 321294437 /nfs/dbraw/zinc/29/44/37/321294437.db2.gz YTZHQGMPKYFZTM-QGZVFWFLSA-N 1 3 344.459 1.886 20 0 EDADHO CCc1noc(-c2ccc(CCNC[C@@H](O)C[N@@H+](C)C3CC3)cc2)n1 ZINC000568501537 321294439 /nfs/dbraw/zinc/29/44/39/321294439.db2.gz YTZHQGMPKYFZTM-QGZVFWFLSA-N 1 3 344.459 1.886 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000569250394 321322977 /nfs/dbraw/zinc/32/29/77/321322977.db2.gz PLSDXBQJRBBDIF-UHFFFAOYSA-N 1 3 348.491 1.528 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000570543429 321346828 /nfs/dbraw/zinc/34/68/28/321346828.db2.gz HLPIQVKTNMLTIZ-KRWDZBQOSA-N 1 3 347.463 1.020 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000571515965 321389899 /nfs/dbraw/zinc/38/98/99/321389899.db2.gz FBCXXHWDYSCZBJ-ZWKOTPCHSA-N 1 3 340.556 1.085 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000571515965 321389901 /nfs/dbraw/zinc/38/99/01/321389901.db2.gz FBCXXHWDYSCZBJ-ZWKOTPCHSA-N 1 3 340.556 1.085 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN2CCN(C)CC2)C1 ZINC000571515965 321389902 /nfs/dbraw/zinc/38/99/02/321389902.db2.gz FBCXXHWDYSCZBJ-ZWKOTPCHSA-N 1 3 340.556 1.085 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000571743673 321399358 /nfs/dbraw/zinc/39/93/58/321399358.db2.gz MYHPZRVPXTZCNP-HOTGVXAUSA-N 1 3 348.495 1.831 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000289461959 444150964 /nfs/dbraw/zinc/15/09/64/444150964.db2.gz ONPLVGZWDKEHCX-UHFFFAOYSA-N 1 3 344.459 1.168 20 0 EDADHO CC(C)n1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000289533554 444166385 /nfs/dbraw/zinc/16/63/85/444166385.db2.gz CBAACEGNXILAIN-UHFFFAOYSA-N 1 3 343.479 1.556 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]c(C(=O)OC)c1 ZINC000289550884 444170077 /nfs/dbraw/zinc/17/00/77/444170077.db2.gz XQTJTXOOEFUHOB-MRXNPFEDSA-N 1 3 336.480 1.649 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]c(C(=O)OC)c1 ZINC000289550884 444170080 /nfs/dbraw/zinc/17/00/80/444170080.db2.gz XQTJTXOOEFUHOB-MRXNPFEDSA-N 1 3 336.480 1.649 20 0 EDADHO C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000304316009 444246794 /nfs/dbraw/zinc/24/67/94/444246794.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 1 3 347.503 1.133 20 0 EDADHO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000304316009 444246796 /nfs/dbraw/zinc/24/67/96/444246796.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 1 3 347.503 1.133 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000290031765 444233383 /nfs/dbraw/zinc/23/33/83/444233383.db2.gz RVZSAJFAHOMWSE-RVKKMQEKSA-N 1 3 333.476 1.754 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000290031765 444233384 /nfs/dbraw/zinc/23/33/84/444233384.db2.gz RVZSAJFAHOMWSE-RVKKMQEKSA-N 1 3 333.476 1.754 20 0 EDADHO CN1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)(N2CCOCC2)CC1 ZINC000577204325 321632628 /nfs/dbraw/zinc/63/26/28/321632628.db2.gz GYZTVTOUQWGNIG-UHFFFAOYSA-N 1 3 349.523 1.593 20 0 EDADHO CC(=O)NC1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290528221 444292034 /nfs/dbraw/zinc/29/20/34/444292034.db2.gz ZFOZHAJWHGOLOK-UHFFFAOYSA-N 1 3 348.491 1.949 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000325244063 444363278 /nfs/dbraw/zinc/36/32/78/444363278.db2.gz YLZPLCWDABAYMZ-BZSNNMDCSA-N 1 3 338.540 1.400 20 0 EDADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(CO)c1 ZINC000340521298 444423753 /nfs/dbraw/zinc/42/37/53/444423753.db2.gz SXMLZNVYSBZRCE-HNNXBMFYSA-N 1 3 333.476 1.772 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1CCN(C)CC1 ZINC000327069104 444380376 /nfs/dbraw/zinc/38/03/76/444380376.db2.gz KUASLJDWUFOLMP-MOPGFXCFSA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1cccs1 ZINC000580052503 322002068 /nfs/dbraw/zinc/00/20/68/322002068.db2.gz IVABGFPQUAYTIN-CNBXADPUSA-N 1 3 334.489 1.648 20 0 EDADHO CC(C)(CNC(=O)N[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000580539637 322063359 /nfs/dbraw/zinc/06/33/59/322063359.db2.gz ZDSSUVMTBCUFRM-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000580540149 322063611 /nfs/dbraw/zinc/06/36/11/322063611.db2.gz LHQMGQXPSMLZIV-NVXWUHKLSA-N 1 3 341.459 1.800 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785432 322096207 /nfs/dbraw/zinc/09/62/07/322096207.db2.gz DDOMMDOLQLXNGW-IRXDYDNUSA-N 1 3 331.464 1.439 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000581478085 322181969 /nfs/dbraw/zinc/18/19/69/322181969.db2.gz CVYDIOSRPBMUEU-YOEHRIQHSA-N 1 3 330.476 1.383 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000581606038 322198346 /nfs/dbraw/zinc/19/83/46/322198346.db2.gz NZNNVTNTYQRMKG-LJHODMEESA-N 1 3 328.460 1.723 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000581998747 322242708 /nfs/dbraw/zinc/24/27/08/322242708.db2.gz VOYHZHAKEYPQIA-KRWDZBQOSA-N 1 3 335.492 1.350 20 0 EDADHO CN(CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000332850350 444573194 /nfs/dbraw/zinc/57/31/94/444573194.db2.gz VISXOZNPZVLVRU-IRXDYDNUSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000332864813 444578037 /nfs/dbraw/zinc/57/80/37/444578037.db2.gz MLJBFCVEQIJOED-VYDXJSESSA-N 1 3 340.512 1.203 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014885 444629255 /nfs/dbraw/zinc/62/92/55/444629255.db2.gz WRUVQMYTRJURRB-KSZLIROESA-N 1 3 337.508 1.745 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342342604 444642542 /nfs/dbraw/zinc/64/25/42/444642542.db2.gz DXAFTPBZVAEXBO-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342342600 444642885 /nfs/dbraw/zinc/64/28/85/444642885.db2.gz DXAFTPBZVAEXBO-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)CN1 ZINC000333660423 444688565 /nfs/dbraw/zinc/68/85/65/444688565.db2.gz LMAANGNMDZYWFW-AHEZYBDSSA-N 1 3 348.466 1.911 20 0 EDADHO CCNc1nc(NC2CC[NH+](C3CC3)CC2)nc(NC(C)(C)C)n1 ZINC000341419971 444819872 /nfs/dbraw/zinc/81/98/72/444819872.db2.gz QVDFTANEBSLHCL-UHFFFAOYSA-N 1 3 333.484 1.396 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000342764272 444855176 /nfs/dbraw/zinc/85/51/76/444855176.db2.gz HARMNIPRNBGTCE-MCIONIFRSA-N 1 3 327.469 1.140 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1)C(C)C ZINC000344510435 445023196 /nfs/dbraw/zinc/02/31/96/445023196.db2.gz GXTAEPQMQCYTOT-MRXNPFEDSA-N 1 3 328.501 1.109 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1)C(C)C ZINC000344510435 445023198 /nfs/dbraw/zinc/02/31/98/445023198.db2.gz GXTAEPQMQCYTOT-MRXNPFEDSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H]1CN(C[C@H](O)Cc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000339060512 445013540 /nfs/dbraw/zinc/01/35/40/445013540.db2.gz ZJVYDJARBKOGKI-NSISKUIASA-N 1 3 349.494 1.687 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H](O)CN2CCCCC2)CCCC1 ZINC000337373723 445053194 /nfs/dbraw/zinc/05/31/94/445053194.db2.gz QEDPALPTOGAWDA-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CCCC1 ZINC000337373725 445053618 /nfs/dbraw/zinc/05/36/18/445053618.db2.gz QEDPALPTOGAWDA-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616503 445088379 /nfs/dbraw/zinc/08/83/79/445088379.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616503 445088380 /nfs/dbraw/zinc/08/83/80/445088380.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000341986428 445108382 /nfs/dbraw/zinc/10/83/82/445108382.db2.gz UUMALLXBKZKUJK-UKRRQHHQSA-N 1 3 340.512 1.068 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000346172731 445207356 /nfs/dbraw/zinc/20/73/56/445207356.db2.gz XHVGOPGQUNGXHR-OAHLLOKOSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCCN1C ZINC000345735019 445197588 /nfs/dbraw/zinc/19/75/88/445197588.db2.gz CYUWFZCGILCUQB-GOEBONIOSA-N 1 3 326.485 1.221 20 0 EDADHO CN(CCCO)C1CC[NH+](C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343575120 445248057 /nfs/dbraw/zinc/24/80/57/445248057.db2.gz HYIKVYWKTWSKFB-CRAIPNDOSA-N 1 3 336.480 1.276 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCCN1C ZINC000343655304 445285454 /nfs/dbraw/zinc/28/54/54/445285454.db2.gz OXNJLXVLGJKKEQ-MAUKXSAKSA-N 1 3 348.491 1.909 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884983 445354713 /nfs/dbraw/zinc/35/47/13/445354713.db2.gz CLERIEVWKYOWEW-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000359742457 445402983 /nfs/dbraw/zinc/40/29/83/445402983.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000359742457 445402987 /nfs/dbraw/zinc/40/29/87/445402987.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 1 3 325.497 1.866 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718412 445516538 /nfs/dbraw/zinc/51/65/38/445516538.db2.gz XBFXZCZZARUJSB-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359916224 445486983 /nfs/dbraw/zinc/48/69/83/445486983.db2.gz GSUWIWWNYCQMKD-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359916224 445486988 /nfs/dbraw/zinc/48/69/88/445486988.db2.gz GSUWIWWNYCQMKD-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000355818594 445493347 /nfs/dbraw/zinc/49/33/47/445493347.db2.gz GQPYVZBQGZNOIZ-UHFFFAOYSA-N 1 3 346.519 1.752 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000349434271 445586978 /nfs/dbraw/zinc/58/69/78/445586978.db2.gz OYCVWTVMHYDDSB-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000360171051 445609978 /nfs/dbraw/zinc/60/99/78/445609978.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000360171051 445609983 /nfs/dbraw/zinc/60/99/83/445609983.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000362990801 445640944 /nfs/dbraw/zinc/64/09/44/445640944.db2.gz PXMJYDRRNUNHNE-FUHWJXTLSA-N 1 3 336.524 1.201 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000362990801 445640949 /nfs/dbraw/zinc/64/09/49/445640949.db2.gz PXMJYDRRNUNHNE-FUHWJXTLSA-N 1 3 336.524 1.201 20 0 EDADHO [NH3+]C1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCOCC1 ZINC000353625526 445681502 /nfs/dbraw/zinc/68/15/02/445681502.db2.gz AYYJSMDWSJYIQN-UHFFFAOYSA-N 1 3 345.487 1.661 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000349899634 445716189 /nfs/dbraw/zinc/71/61/89/445716189.db2.gz WLZBWPSBMLUEKR-BRWVUGGUSA-N 1 3 325.497 1.819 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000350052629 445758740 /nfs/dbraw/zinc/75/87/40/445758740.db2.gz TWCBLUPDQQGLGW-HUUCEWRRSA-N 1 3 339.480 1.251 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863236 445817647 /nfs/dbraw/zinc/81/76/47/445817647.db2.gz VLULMCNBTLNTBM-YOEHRIQHSA-N 1 3 336.455 1.010 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000363358622 445780428 /nfs/dbraw/zinc/78/04/28/445780428.db2.gz HYZJEAXBTQNCQM-QZTJIDSGSA-N 1 3 347.507 1.972 20 0 EDADHO Cc1nc(C)c([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)s1 ZINC000361482146 445781391 /nfs/dbraw/zinc/78/13/91/445781391.db2.gz VDHPNCVLUDWNHH-AWEZNQCLSA-N 1 3 340.537 1.801 20 0 EDADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350620290 445857663 /nfs/dbraw/zinc/85/76/63/445857663.db2.gz VEQCVMRYIFNMHZ-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363683797 445869423 /nfs/dbraw/zinc/86/94/23/445869423.db2.gz UFYZILINSCRPKE-GVDBMIGSSA-N 1 3 336.480 1.119 20 0 EDADHO c1c(CN2CCN(CCC3CC[NH2+]CC3)CC2)nc2ccccn12 ZINC000359224172 446054127 /nfs/dbraw/zinc/05/41/27/446054127.db2.gz RNOMOPBXXDOIIU-UHFFFAOYSA-N 1 3 327.476 1.842 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ncc[nH]3)CC2)CC1 ZINC000584062919 326193491 /nfs/dbraw/zinc/19/34/91/326193491.db2.gz BUZWWFUWTMFKRR-CQSZACIVSA-N 1 3 333.480 1.783 20 0 EDADHO CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365275231 446120341 /nfs/dbraw/zinc/12/03/41/446120341.db2.gz NWLRPSGFVPJMQK-DLBZAZTESA-N 1 3 335.492 1.573 20 0 EDADHO CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365275231 446120347 /nfs/dbraw/zinc/12/03/47/446120347.db2.gz NWLRPSGFVPJMQK-DLBZAZTESA-N 1 3 335.492 1.573 20 0 EDADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCN2CCC1CC2 ZINC000370281260 446211177 /nfs/dbraw/zinc/21/11/77/446211177.db2.gz YSGMYBUAHYZCJC-UHFFFAOYSA-N 1 3 342.487 1.924 20 0 EDADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCN2CCC1CC2 ZINC000370281260 446211180 /nfs/dbraw/zinc/21/11/80/446211180.db2.gz YSGMYBUAHYZCJC-UHFFFAOYSA-N 1 3 342.487 1.924 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C[C@H](C)O1 ZINC000370296719 446220233 /nfs/dbraw/zinc/22/02/33/446220233.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C[C@H](C)O1 ZINC000370296719 446220237 /nfs/dbraw/zinc/22/02/37/446220237.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 1 3 337.508 1.866 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000366521528 446247450 /nfs/dbraw/zinc/24/74/50/446247450.db2.gz ZDXDWYXJVUYQBK-QZTJIDSGSA-N 1 3 347.528 1.905 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000366521528 446247452 /nfs/dbraw/zinc/24/74/52/446247452.db2.gz ZDXDWYXJVUYQBK-QZTJIDSGSA-N 1 3 347.528 1.905 20 0 EDADHO C[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000366687353 446310221 /nfs/dbraw/zinc/31/02/21/446310221.db2.gz MZCACOUVYNCXCN-BZUAXINKSA-N 1 3 325.497 1.553 20 0 EDADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CN2CCN1CCC2 ZINC000362315709 446317048 /nfs/dbraw/zinc/31/70/48/446317048.db2.gz DEHJHONTCADAQQ-LJQANCHMSA-N 1 3 342.487 1.653 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332382 446345356 /nfs/dbraw/zinc/34/53/56/446345356.db2.gz QYSPRWNSQAQSPT-XUWVNRHRSA-N 1 3 326.485 1.255 20 0 EDADHO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CN[C@@H](C)COC(C)C ZINC000374294864 446361142 /nfs/dbraw/zinc/36/11/42/446361142.db2.gz STJZZQQOBRSWHT-HNNXBMFYSA-N 1 3 337.512 1.774 20 0 EDADHO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CN[C@@H](C)COC(C)C ZINC000374294864 446361148 /nfs/dbraw/zinc/36/11/48/446361148.db2.gz STJZZQQOBRSWHT-HNNXBMFYSA-N 1 3 337.512 1.774 20 0 EDADHO COC[C@]1(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528714 446361447 /nfs/dbraw/zinc/36/14/47/446361447.db2.gz FNHKOYBARDSHCT-HLLBOEOZSA-N 1 3 326.485 1.317 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417535183 446362836 /nfs/dbraw/zinc/36/28/36/446362836.db2.gz BMPNZSWYLNCYMF-CABCVRRESA-N 1 3 340.512 1.693 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950102 446396118 /nfs/dbraw/zinc/39/61/18/446396118.db2.gz VPZOXYGAHICADM-BRSBDYLESA-N 1 3 346.475 1.580 20 0 EDADHO COCCNCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418138540 446441425 /nfs/dbraw/zinc/44/14/25/446441425.db2.gz GJTSILQSJOHPFA-MRXNPFEDSA-N 1 3 326.485 1.319 20 0 EDADHO COCCNCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418138540 446441433 /nfs/dbraw/zinc/44/14/33/446441433.db2.gz GJTSILQSJOHPFA-MRXNPFEDSA-N 1 3 326.485 1.319 20 0 EDADHO CCCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000420281365 446448054 /nfs/dbraw/zinc/44/80/54/446448054.db2.gz ANXCFMZAYBHHOV-QZTJIDSGSA-N 1 3 332.492 1.479 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000418183066 446449308 /nfs/dbraw/zinc/44/93/08/446449308.db2.gz NUTQGURRJGRKCO-BQFCYCMXSA-N 1 3 348.491 1.745 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417961495 446401525 /nfs/dbraw/zinc/40/15/25/446401525.db2.gz BJYUGZCNEDDULE-GDBMZVCRSA-N 1 3 331.464 1.677 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417961498 446401719 /nfs/dbraw/zinc/40/17/19/446401719.db2.gz BJYUGZCNEDDULE-GOEBONIOSA-N 1 3 331.464 1.677 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)NCC1CCN(c2ccncc2)CC1)C(F)F ZINC000417963506 446401823 /nfs/dbraw/zinc/40/18/23/446401823.db2.gz DOIJHOZCBFNQIZ-CQSZACIVSA-N 1 3 341.406 1.580 20 0 EDADHO COC(=O)C(C)(C)CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000374809468 446402518 /nfs/dbraw/zinc/40/25/18/446402518.db2.gz IJHNMTKAAFTJRD-INIZCTEOSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000374809468 446402521 /nfs/dbraw/zinc/40/25/21/446402521.db2.gz IJHNMTKAAFTJRD-INIZCTEOSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994763 446410282 /nfs/dbraw/zinc/41/02/82/446410282.db2.gz YZXGHHHCVOFNCB-GXTWGEPZSA-N 1 3 328.407 1.789 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418004007 446412480 /nfs/dbraw/zinc/41/24/80/446412480.db2.gz ZIATVGRIEKRCRX-MAUKXSAKSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@H](C)CN1 ZINC000418187109 446452128 /nfs/dbraw/zinc/45/21/28/446452128.db2.gz CWWDVYYCEYZYSR-HUUCEWRRSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@]1(CNC(=O)N(CC[NH3+])CCO)CCCN1Cc1ccccc1 ZINC000418047871 446423862 /nfs/dbraw/zinc/42/38/62/446423862.db2.gz UGOLRIDLMGCIQP-GOSISDBHSA-N 1 3 334.464 1.004 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418191164 446454395 /nfs/dbraw/zinc/45/43/95/446454395.db2.gz KKYGMACMSOVUKI-BGTYHANMSA-N 1 3 328.460 1.510 20 0 EDADHO CSC1(CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CCN(C)CC1 ZINC000418194650 446455435 /nfs/dbraw/zinc/45/54/35/446455435.db2.gz DTKJOBMTQSDJHZ-ZIAGYGMSSA-N 1 3 328.526 1.725 20 0 EDADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CC[C@H]1CC[NH2+]C1 ZINC000420316057 446481331 /nfs/dbraw/zinc/48/13/31/446481331.db2.gz MGWXUMINIXXBLB-OAHLLOKOSA-N 1 3 340.489 1.790 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314391 446480544 /nfs/dbraw/zinc/48/05/44/446480544.db2.gz VSWFSJHRKWYEQF-MJGOQNOKSA-N 1 3 330.476 1.091 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420317371 446483562 /nfs/dbraw/zinc/48/35/62/446483562.db2.gz MWXPUWVUQKVWPP-HOTGVXAUSA-N 1 3 348.466 1.770 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)N(C)C)cc1 ZINC000423313225 446484125 /nfs/dbraw/zinc/48/41/25/446484125.db2.gz WLZDNLQJZRVTSN-QGZVFWFLSA-N 1 3 344.463 1.222 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420325715 446493214 /nfs/dbraw/zinc/49/32/14/446493214.db2.gz BRTBWPPSICIZLN-HZSPNIEDSA-N 1 3 333.398 1.719 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327931 446495773 /nfs/dbraw/zinc/49/57/73/446495773.db2.gz LTLMCKQLAHTFHD-HZPDHXFCSA-N 1 3 349.450 1.642 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334059 446504210 /nfs/dbraw/zinc/50/42/10/446504210.db2.gz KZTQMNROMWFQDS-OTWHNJEPSA-N 1 3 344.503 1.337 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335707 446506517 /nfs/dbraw/zinc/50/65/17/446506517.db2.gz LXNZZAXVMAAOKA-BHYGNILZSA-N 1 3 344.459 1.332 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423378651 446510513 /nfs/dbraw/zinc/51/05/13/446510513.db2.gz MLMBVWZDLSFZOB-QLFBSQMISA-N 1 3 333.480 1.869 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330226 446498573 /nfs/dbraw/zinc/49/85/73/446498573.db2.gz ALCOYJFMLLRMHZ-GJZGRUSLSA-N 1 3 336.480 1.466 20 0 EDADHO c1ccc2c(c1)C[C@@H]2CN1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000376542965 446564772 /nfs/dbraw/zinc/56/47/72/446564772.db2.gz RXKBKXMWVWUXBS-LJQANCHMSA-N 1 3 329.488 1.666 20 0 EDADHO c1ccc2c(c1)C[C@@H]2CN1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000376542965 446564776 /nfs/dbraw/zinc/56/47/76/446564776.db2.gz RXKBKXMWVWUXBS-LJQANCHMSA-N 1 3 329.488 1.666 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373817 446565936 /nfs/dbraw/zinc/56/59/36/446565936.db2.gz HKVDETIMRZRCRP-JKSUJKDBSA-N 1 3 342.447 1.235 20 0 EDADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418368248 446516712 /nfs/dbraw/zinc/51/67/12/446516712.db2.gz LOPWLWVMQDWHRA-HKUYNNGSSA-N 1 3 346.475 1.065 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@H]1Cc2ccccc2O1 ZINC000420345451 446517738 /nfs/dbraw/zinc/51/77/38/446517738.db2.gz VLCIKWQAVFLLHP-IXDOHACOSA-N 1 3 329.444 1.038 20 0 EDADHO N[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423403445 446520111 /nfs/dbraw/zinc/52/01/11/446520111.db2.gz HRFIEZHOAKQMNG-GOSISDBHSA-N 1 3 331.460 1.905 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433389670 446566991 /nfs/dbraw/zinc/56/69/91/446566991.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433389670 446566999 /nfs/dbraw/zinc/56/69/99/446566999.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000418454076 446549085 /nfs/dbraw/zinc/54/90/85/446549085.db2.gz AQHGKPKONQBTBV-CQSZACIVSA-N 1 3 335.452 1.439 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000411465236 446554950 /nfs/dbraw/zinc/55/49/50/446554950.db2.gz WATFIZBBBUWCEF-FXAWDEMLSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000433449436 446575389 /nfs/dbraw/zinc/57/53/89/446575389.db2.gz GCIVEYPCANGQDA-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418636019 446626128 /nfs/dbraw/zinc/62/61/28/446626128.db2.gz LRQJZRHMUZDYGY-YTQUADARSA-N 1 3 342.487 1.999 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000418636019 446626134 /nfs/dbraw/zinc/62/61/34/446626134.db2.gz LRQJZRHMUZDYGY-YTQUADARSA-N 1 3 342.487 1.999 20 0 EDADHO CCO[C@@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793326 446675639 /nfs/dbraw/zinc/67/56/39/446675639.db2.gz INJZFGPHXXYZAL-IAGOWNOFSA-N 1 3 337.508 1.913 20 0 EDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418641859 446629061 /nfs/dbraw/zinc/62/90/61/446629061.db2.gz SRLDHBCQPGRGJC-BWDFJHHZSA-N 1 3 328.460 1.689 20 0 EDADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418778570 446697600 /nfs/dbraw/zinc/69/76/00/446697600.db2.gz ZSVJWKNJIQKIFA-KRWDZBQOSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)CC2(N3CCOCC3)CCCC2)C[C@H]1C[NH3+] ZINC000424067829 446836991 /nfs/dbraw/zinc/83/69/91/446836991.db2.gz HGXYHWFXADCSRP-IXDOHACOSA-N 1 3 337.508 1.853 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000368401949 446839220 /nfs/dbraw/zinc/83/92/20/446839220.db2.gz HQBURXCSHFZESM-GJZGRUSLSA-N 1 3 349.523 1.916 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000424455966 446876455 /nfs/dbraw/zinc/87/64/55/446876455.db2.gz OQFMLLRPKDDNMU-OAHLLOKOSA-N 1 3 346.475 1.630 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419117549 446934839 /nfs/dbraw/zinc/93/48/39/446934839.db2.gz HLXWIYLUWVTGNF-HZPDHXFCSA-N 1 3 340.512 1.199 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169171 446985514 /nfs/dbraw/zinc/98/55/14/446985514.db2.gz LUYUFQDLTJIYFA-HZPDHXFCSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991800 /nfs/dbraw/zinc/99/18/00/446991800.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 1 3 327.472 1.917 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991804 /nfs/dbraw/zinc/99/18/04/446991804.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 1 3 327.472 1.917 20 0 EDADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@]1(F)CCNC1 ZINC000372103310 447003671 /nfs/dbraw/zinc/00/36/71/447003671.db2.gz SXEXVAZWPLKGQF-CYBMUJFWSA-N 1 3 327.366 1.811 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CNCC3)[C@H]1c1cccs1 ZINC000372460459 447062510 /nfs/dbraw/zinc/06/25/10/447062510.db2.gz QJTBLNLDGWXIQD-BZNIZROVSA-N 1 3 345.472 1.540 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CNCC3)[C@H]1c1cccs1 ZINC000372460459 447062513 /nfs/dbraw/zinc/06/25/13/447062513.db2.gz QJTBLNLDGWXIQD-BZNIZROVSA-N 1 3 345.472 1.540 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000444187717 447092521 /nfs/dbraw/zinc/09/25/21/447092521.db2.gz SNLGJCFGIITIDH-WSTZPKSXSA-N 1 3 327.472 1.939 20 0 EDADHO C[N@H+](CCNC(=O)N1CCCN(CC(C)(C)O)CC1)C1CCCC1 ZINC000372505857 447094738 /nfs/dbraw/zinc/09/47/38/447094738.db2.gz SPBRUMJTVBMWQT-UHFFFAOYSA-N 1 3 340.512 1.349 20 0 EDADHO C[N@@H+](CCNC(=O)N1CCCN(CC(C)(C)O)CC1)C1CCCC1 ZINC000372505857 447094743 /nfs/dbraw/zinc/09/47/43/447094743.db2.gz SPBRUMJTVBMWQT-UHFFFAOYSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N(C)C ZINC000455422477 447126587 /nfs/dbraw/zinc/12/65/87/447126587.db2.gz ADKSGEWDPNBYQU-BPUTZDHNSA-N 1 3 326.485 1.004 20 0 EDADHO CN(C)CCN(C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000377437180 447132828 /nfs/dbraw/zinc/13/28/28/447132828.db2.gz ATDFQGLNQHAFGF-INIZCTEOSA-N 1 3 333.480 1.508 20 0 EDADHO COC1(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCOCC1 ZINC000368897634 447188062 /nfs/dbraw/zinc/18/80/62/447188062.db2.gz RZDLJYKSSPOAPN-QGZVFWFLSA-N 1 3 325.497 1.284 20 0 EDADHO COC1(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCOCC1 ZINC000368897634 447188067 /nfs/dbraw/zinc/18/80/67/447188067.db2.gz RZDLJYKSSPOAPN-QGZVFWFLSA-N 1 3 325.497 1.284 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377536843 447188553 /nfs/dbraw/zinc/18/85/53/447188553.db2.gz XNQUNQFPUJJNCL-NBOOPKSLSA-N 1 3 345.443 1.028 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377536843 447188557 /nfs/dbraw/zinc/18/85/57/447188557.db2.gz XNQUNQFPUJJNCL-NBOOPKSLSA-N 1 3 345.443 1.028 20 0 EDADHO C[C@H](CNC(=O)Nc1ccnn1CCN(C)C)[NH+]1CCC(C)CC1 ZINC000455664640 447202092 /nfs/dbraw/zinc/20/20/92/447202092.db2.gz GGGHQIBEFYHENX-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO CCN1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000413869833 447260419 /nfs/dbraw/zinc/26/04/19/447260419.db2.gz YZVAMSNHZFNXSW-PMRDEQMMSA-N 1 3 338.496 1.364 20 0 EDADHO CCN1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000413869833 447260422 /nfs/dbraw/zinc/26/04/22/447260422.db2.gz YZVAMSNHZFNXSW-PMRDEQMMSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647500 447453931 /nfs/dbraw/zinc/45/39/31/447453931.db2.gz KIGSTHPHEBPZCS-YZGWKJHDSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647500 447453937 /nfs/dbraw/zinc/45/39/37/447453937.db2.gz KIGSTHPHEBPZCS-YZGWKJHDSA-N 1 3 347.503 1.322 20 0 EDADHO CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000419897541 447476656 /nfs/dbraw/zinc/47/66/56/447476656.db2.gz OLHNHMYCVGPWDZ-RDJZCZTQSA-N 1 3 346.475 1.006 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000415515107 447490549 /nfs/dbraw/zinc/49/05/49/447490549.db2.gz CYRQJMVMLAVUQW-GOEBONIOSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H]1C[NH+](CCC2CCN([C@@H]3CCN(C4CC4)C3=O)CC2)C[C@@H](C)O1 ZINC000426781374 447501601 /nfs/dbraw/zinc/50/16/01/447501601.db2.gz BPFSYYSMLPCXDJ-GPMSIDNRSA-N 1 3 349.519 1.961 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427271211 447571497 /nfs/dbraw/zinc/57/14/97/447571497.db2.gz CBOHXNRXIVHFLO-KRWDZBQOSA-N 1 3 344.503 1.440 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420088381 447594296 /nfs/dbraw/zinc/59/42/96/447594296.db2.gz BZJSGXFEIPVLQP-GOSISDBHSA-N 1 3 340.512 1.073 20 0 EDADHO CN(C)CCOC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457555579 447596527 /nfs/dbraw/zinc/59/65/27/447596527.db2.gz MNXQIFUXEWDDAB-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852927 447697095 /nfs/dbraw/zinc/69/70/95/447697095.db2.gz SSYIEMXNZYVIIF-AZUAARDMSA-N 1 3 344.503 1.944 20 0 EDADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422813560 447756412 /nfs/dbraw/zinc/75/64/12/447756412.db2.gz ZOPCKCIHFJBIDO-VAMGGRTRSA-N 1 3 329.488 1.791 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761779 /nfs/dbraw/zinc/76/17/79/447761779.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761786 /nfs/dbraw/zinc/76/17/86/447761786.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 1 3 341.496 1.678 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000422864123 447770499 /nfs/dbraw/zinc/77/04/99/447770499.db2.gz TZUUTZFMKDVVJH-YXJHDRRASA-N 1 3 341.459 1.897 20 0 EDADHO C[C@@H](N)C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915947 447772336 /nfs/dbraw/zinc/77/23/36/447772336.db2.gz ZLJMRAHZTFIOHA-HUUCEWRRSA-N 1 3 339.505 1.696 20 0 EDADHO CC[C@@H]1CN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087059 447802436 /nfs/dbraw/zinc/80/24/36/447802436.db2.gz NEVDFYZAQVVYDS-IMFGXOCKSA-N 1 3 345.487 1.943 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000469699486 447803136 /nfs/dbraw/zinc/80/31/36/447803136.db2.gz GEUOSYFTESVHFO-HZMVEIRTSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000469699486 447803138 /nfs/dbraw/zinc/80/31/38/447803138.db2.gz GEUOSYFTESVHFO-HZMVEIRTSA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CCCCN1 ZINC000423113948 447807699 /nfs/dbraw/zinc/80/76/99/447807699.db2.gz VALLVYCLUMXYHP-OOHRUWKFSA-N 1 3 336.524 1.580 20 0 EDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113948 447807702 /nfs/dbraw/zinc/80/77/02/447807702.db2.gz VALLVYCLUMXYHP-OOHRUWKFSA-N 1 3 336.524 1.580 20 0 EDADHO Cc1ccc2c(c1)CC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)O2 ZINC000530381028 447874529 /nfs/dbraw/zinc/87/45/29/447874529.db2.gz HHMAAVKFLYANMA-SFHVURJKSA-N 1 3 333.476 1.640 20 0 EDADHO C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000569707728 447873464 /nfs/dbraw/zinc/87/34/64/447873464.db2.gz KIMQPSUBHCGPAU-XJKSGUPXSA-N 1 3 332.448 1.399 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000490270106 447891149 /nfs/dbraw/zinc/89/11/49/447891149.db2.gz IXALRHLXBPDCLZ-BRWVUGGUSA-N 1 3 340.512 1.347 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000569843156 447905151 /nfs/dbraw/zinc/90/51/51/447905151.db2.gz MOMPFBTXWZZAPM-WMZOPIPTSA-N 1 3 330.476 1.800 20 0 EDADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccccc1 ZINC000576029823 447953858 /nfs/dbraw/zinc/95/38/58/447953858.db2.gz BRTJEZBHMAHLLY-ROUUACIJSA-N 1 3 331.460 1.983 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000524786082 447954619 /nfs/dbraw/zinc/95/46/19/447954619.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000524786082 447954620 /nfs/dbraw/zinc/95/46/20/447954620.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO CC(C)c1nnc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000530641862 447932633 /nfs/dbraw/zinc/93/26/33/447932633.db2.gz VWNQBURMTLSZRI-UHFFFAOYSA-N 1 3 325.457 1.077 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000525300360 447991063 /nfs/dbraw/zinc/99/10/63/447991063.db2.gz XLPKNYFOXODHOL-ZACQAIPSSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000525300360 447991066 /nfs/dbraw/zinc/99/10/66/447991066.db2.gz XLPKNYFOXODHOL-ZACQAIPSSA-N 1 3 339.528 1.042 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224466 447968479 /nfs/dbraw/zinc/96/84/79/447968479.db2.gz VDADWEAXMGYCJU-MAUKXSAKSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224466 447968481 /nfs/dbraw/zinc/96/84/81/447968481.db2.gz VDADWEAXMGYCJU-MAUKXSAKSA-N 1 3 345.491 1.534 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC1 ZINC000531286267 448053192 /nfs/dbraw/zinc/05/31/92/448053192.db2.gz SWZLRELACWUINA-MJGOQNOKSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)C[C@@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000531294583 448056478 /nfs/dbraw/zinc/05/64/78/448056478.db2.gz OWZLYRHRHMQGAL-ICSRJNTNSA-N 1 3 347.503 1.716 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000576457271 448059204 /nfs/dbraw/zinc/05/92/04/448059204.db2.gz CRQHKDHOBKTMPN-BBWFWOEESA-N 1 3 327.513 1.311 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)cc1Cl ZINC000531357905 448069248 /nfs/dbraw/zinc/06/92/48/448069248.db2.gz NTVZKMZLBXFQJR-UHFFFAOYSA-N 1 3 345.846 1.810 20 0 EDADHO COCCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525971516 448068706 /nfs/dbraw/zinc/06/87/06/448068706.db2.gz DPIQJHQISZFFDE-UHFFFAOYSA-N 1 3 336.480 1.833 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013522 448122847 /nfs/dbraw/zinc/12/28/47/448122847.db2.gz GKTFVKBRXZPUTN-OAGGEKHMSA-N 1 3 341.496 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013522 448122852 /nfs/dbraw/zinc/12/28/52/448122852.db2.gz GKTFVKBRXZPUTN-OAGGEKHMSA-N 1 3 341.496 1.942 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000571277452 448124545 /nfs/dbraw/zinc/12/45/45/448124545.db2.gz IUYCXVPDBNUJDC-HKUYNNGSSA-N 1 3 348.487 1.825 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522996 448165632 /nfs/dbraw/zinc/16/56/32/448165632.db2.gz SHIIDDIVXVHKGJ-DAWZGUTISA-N 1 3 336.524 1.582 20 0 EDADHO Cn1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000514598064 448168718 /nfs/dbraw/zinc/16/87/18/448168718.db2.gz CPNRJVHOUSGJCU-MSOLQXFVSA-N 1 3 327.432 1.904 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000571921438 448237225 /nfs/dbraw/zinc/23/72/25/448237225.db2.gz SFMDVOIZXZRHEU-AEFFLSMTSA-N 1 3 342.447 1.033 20 0 EDADHO CN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](CN)C1 ZINC000582476013 448247600 /nfs/dbraw/zinc/24/76/00/448247600.db2.gz FPINBSRGTDIWFL-KRWDZBQOSA-N 1 3 337.512 1.068 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000515140106 448264940 /nfs/dbraw/zinc/26/49/40/448264940.db2.gz IJZXPKZKBHICDP-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000515140106 448264944 /nfs/dbraw/zinc/26/49/44/448264944.db2.gz IJZXPKZKBHICDP-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)C[C@H]1CN)CC(C)C ZINC000577831082 448394920 /nfs/dbraw/zinc/39/49/20/448394920.db2.gz YQHMTBMRLYWYCW-HZPDHXFCSA-N 1 3 327.517 1.027 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)c3ncc[nH]3)CC2)CC1 ZINC000582913985 448378744 /nfs/dbraw/zinc/37/87/44/448378744.db2.gz AGMUGXGHPSIXMC-UHFFFAOYSA-N 1 3 347.507 1.957 20 0 EDADHO C[C@@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCC[NH2+]1 ZINC000577955333 448425737 /nfs/dbraw/zinc/42/57/37/448425737.db2.gz OIHTUIKEXVERGS-INIZCTEOSA-N 1 3 325.522 1.996 20 0 EDADHO C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)N2CCNCC2)c1 ZINC000516474889 448427038 /nfs/dbraw/zinc/42/70/38/448427038.db2.gz CQJXCFIRFQWVBG-UHFFFAOYSA-N 1 3 348.491 1.639 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068192 448453707 /nfs/dbraw/zinc/45/37/07/448453707.db2.gz SGOGTSUQPGXWHT-BQFCYCMXSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ncc[nH]3)CC2)CC1 ZINC000566437045 448469644 /nfs/dbraw/zinc/46/96/44/448469644.db2.gz KHDYFRUVVVXHOV-UHFFFAOYSA-N 1 3 333.480 1.265 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000578326740 448518383 /nfs/dbraw/zinc/51/83/83/448518383.db2.gz DBSCYKXSNZPCFY-OAHLLOKOSA-N 1 3 346.475 1.839 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000566673461 448534598 /nfs/dbraw/zinc/53/45/98/448534598.db2.gz NIAXYRNYEKIFQQ-QBPKDAKJSA-N 1 3 329.529 1.413 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000584464558 448535359 /nfs/dbraw/zinc/53/53/59/448535359.db2.gz YJECSHVDEABFGU-CRAIPNDOSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000584464558 448535363 /nfs/dbraw/zinc/53/53/63/448535363.db2.gz YJECSHVDEABFGU-CRAIPNDOSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000584464558 448535372 /nfs/dbraw/zinc/53/53/72/448535372.db2.gz YJECSHVDEABFGU-CRAIPNDOSA-N 1 3 332.444 1.703 20 0 EDADHO CSC1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCN(C)CC1 ZINC000578425969 448541667 /nfs/dbraw/zinc/54/16/67/448541667.db2.gz AGORYEQSPHSWFL-MRXNPFEDSA-N 1 3 340.537 1.599 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733716 448546864 /nfs/dbraw/zinc/54/68/64/448546864.db2.gz HCZQLEVQISAXJH-QKLQHJQFSA-N 1 3 349.519 1.350 20 0 EDADHO CCN(CCSC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000591928691 448586170 /nfs/dbraw/zinc/58/61/70/448586170.db2.gz TWZILFNXJFVYIT-UHFFFAOYSA-N 1 3 342.553 1.940 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000584775857 448626330 /nfs/dbraw/zinc/62/63/30/448626330.db2.gz UVSDVGJOBLOISU-VJANTYMQSA-N 1 3 341.540 1.557 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518032340 448639944 /nfs/dbraw/zinc/63/99/44/448639944.db2.gz UZWXLGDOECLMAT-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000540907942 448653692 /nfs/dbraw/zinc/65/36/92/448653692.db2.gz MRZSCSJQHPNEGS-JFIYKMOQSA-N 1 3 337.508 1.819 20 0 EDADHO CCN1CCN(CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000573600810 448669100 /nfs/dbraw/zinc/66/91/00/448669100.db2.gz CIXZBSGITDUHRS-SFHVURJKSA-N 1 3 346.519 1.856 20 0 EDADHO COc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)ccn1 ZINC000573458666 448633783 /nfs/dbraw/zinc/63/37/83/448633783.db2.gz CBCALCWZNDKKSB-INIZCTEOSA-N 1 3 348.491 1.537 20 0 EDADHO CCC[C@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567500699 448704838 /nfs/dbraw/zinc/70/48/38/448704838.db2.gz FDEFWSUGDALQCD-ROUUACIJSA-N 1 3 330.476 1.894 20 0 EDADHO CCC[C@H]1CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500699 448704842 /nfs/dbraw/zinc/70/48/42/448704842.db2.gz FDEFWSUGDALQCD-ROUUACIJSA-N 1 3 330.476 1.894 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000578966535 448680527 /nfs/dbraw/zinc/68/05/27/448680527.db2.gz IXJVMQKFSDRTGZ-UHFFFAOYSA-N 1 3 346.475 1.461 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573916988 448746662 /nfs/dbraw/zinc/74/66/62/448746662.db2.gz IHUOCMVSZRSEKE-KFWWJZLASA-N 1 3 334.468 1.023 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000519476796 448773164 /nfs/dbraw/zinc/77/31/64/448773164.db2.gz MYTJYEMLIHYRJI-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000519476796 448773169 /nfs/dbraw/zinc/77/31/69/448773169.db2.gz MYTJYEMLIHYRJI-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567911837 448781772 /nfs/dbraw/zinc/78/17/72/448781772.db2.gz DCLUWNXCPBQJEF-LJQANCHMSA-N 1 3 344.503 1.214 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567911837 448781777 /nfs/dbraw/zinc/78/17/77/448781777.db2.gz DCLUWNXCPBQJEF-LJQANCHMSA-N 1 3 344.503 1.214 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000579703147 448856139 /nfs/dbraw/zinc/85/61/39/448856139.db2.gz BKZMJSMIMKWGIT-AWEZNQCLSA-N 1 3 332.448 1.239 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000579703147 448856147 /nfs/dbraw/zinc/85/61/47/448856147.db2.gz BKZMJSMIMKWGIT-AWEZNQCLSA-N 1 3 332.448 1.239 20 0 EDADHO O=C(NC[C@H]1CCCCN1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729041 448909171 /nfs/dbraw/zinc/90/91/71/448909171.db2.gz SFYMGODXDRHFND-OAHLLOKOSA-N 1 3 332.448 1.301 20 0 EDADHO Cc1[nH]nc2ncc(CN3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000520369383 448888542 /nfs/dbraw/zinc/88/85/42/448888542.db2.gz VDRAQMLYJIXZRW-SJORKVTESA-N 1 3 329.448 1.985 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568972536 448945187 /nfs/dbraw/zinc/94/51/87/448945187.db2.gz AQPHXJHSOZJLRK-HNNXBMFYSA-N 1 3 345.491 1.480 20 0 EDADHO C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N1CCC(C)CC1 ZINC000592958678 449082024 /nfs/dbraw/zinc/08/20/24/449082024.db2.gz ZWTVOIPCQUDDCC-LSDHHAIUSA-N 1 3 333.480 1.569 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)ccn1 ZINC000617009572 449429165 /nfs/dbraw/zinc/42/91/65/449429165.db2.gz AWTVHVVJKDJZDI-OAHLLOKOSA-N 1 3 334.464 1.625 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NCC12CCC[NH+]1CCC2 ZINC000614226642 449514493 /nfs/dbraw/zinc/51/44/93/449514493.db2.gz HMLOERVIXXBKIC-UHFFFAOYSA-N 1 3 335.492 1.766 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617506479 449652874 /nfs/dbraw/zinc/65/28/74/449652874.db2.gz OWUAPAZBEHRLQY-ZDUSSCGKSA-N 1 3 347.463 1.281 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000617506479 449652879 /nfs/dbraw/zinc/65/28/79/449652879.db2.gz OWUAPAZBEHRLQY-ZDUSSCGKSA-N 1 3 347.463 1.281 20 0 EDADHO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506621 449655898 /nfs/dbraw/zinc/65/58/98/449655898.db2.gz UALMWVVFJIFXQH-KGLIPLIRSA-N 1 3 337.512 1.908 20 0 EDADHO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506621 449655904 /nfs/dbraw/zinc/65/59/04/449655904.db2.gz UALMWVVFJIFXQH-KGLIPLIRSA-N 1 3 337.512 1.908 20 0 EDADHO CO[C@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617507223 449656494 /nfs/dbraw/zinc/65/64/94/449656494.db2.gz MTHQIVHRFWEDBE-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO CO[C@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617507223 449656496 /nfs/dbraw/zinc/65/64/96/449656496.db2.gz MTHQIVHRFWEDBE-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO COc1cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1O ZINC000617507724 449659102 /nfs/dbraw/zinc/65/91/02/449659102.db2.gz HBSUWKMPXKHTEJ-AWEZNQCLSA-N 1 3 337.464 1.332 20 0 EDADHO COc1cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1O ZINC000617507724 449659105 /nfs/dbraw/zinc/65/91/05/449659105.db2.gz HBSUWKMPXKHTEJ-AWEZNQCLSA-N 1 3 337.464 1.332 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000602573607 449682011 /nfs/dbraw/zinc/68/20/11/449682011.db2.gz SQDNBSGZKBGBFW-CQSZACIVSA-N 1 3 329.510 1.170 20 0 EDADHO CN(CCN(C)C1CCCCC1)C(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602498049 449632093 /nfs/dbraw/zinc/63/20/93/449632093.db2.gz COUBXFHELITGPD-HSZRJFAPSA-N 1 3 343.537 1.210 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC12CCSCC2 ZINC000617503407 449646259 /nfs/dbraw/zinc/64/62/59/449646259.db2.gz HRTORPYLQRFJLR-LSDHHAIUSA-N 1 3 327.538 1.908 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC12CCSCC2 ZINC000617503407 449646262 /nfs/dbraw/zinc/64/62/62/449646262.db2.gz HRTORPYLQRFJLR-LSDHHAIUSA-N 1 3 327.538 1.908 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)N2CCCC2)c1 ZINC000612862938 449915756 /nfs/dbraw/zinc/91/57/56/449915756.db2.gz RQCCCDVXFUEKGF-PKOBYXMFSA-N 1 3 346.475 1.883 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616784571 450484285 /nfs/dbraw/zinc/48/42/85/450484285.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616784571 450484288 /nfs/dbraw/zinc/48/42/88/450484288.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616784571 450484293 /nfs/dbraw/zinc/48/42/93/450484293.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616784571 450484295 /nfs/dbraw/zinc/48/42/95/450484295.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 1 3 340.512 1.210 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCN(C)C(C)(C)C2)s1 ZINC000623468415 450526540 /nfs/dbraw/zinc/52/65/40/450526540.db2.gz UKLJXSNZNAWDTC-ZDUSSCGKSA-N 1 3 345.534 1.797 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)CC[N@@H+]1C ZINC000620912046 450560021 /nfs/dbraw/zinc/56/00/21/450560021.db2.gz MHRJKFAUCYFUSY-YESZJQIVSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)CC[N@H+]1C ZINC000620912046 450560023 /nfs/dbraw/zinc/56/00/23/450560023.db2.gz MHRJKFAUCYFUSY-YESZJQIVSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000621153674 450601910 /nfs/dbraw/zinc/60/19/10/450601910.db2.gz XFEXWDQOYPJPDD-PKOBYXMFSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000621153674 450601914 /nfs/dbraw/zinc/60/19/14/450601914.db2.gz XFEXWDQOYPJPDD-PKOBYXMFSA-N 1 3 331.460 1.080 20 0 EDADHO c1cc(CN2CCO[C@@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)ccn1 ZINC000624266993 450772038 /nfs/dbraw/zinc/77/20/38/450772038.db2.gz ZWAWURGFIRWEQR-FQEVSTJZSA-N 1 3 344.503 1.746 20 0 EDADHO CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CCCC3)C2)ncn1 ZINC000629563867 450737808 /nfs/dbraw/zinc/73/78/08/450737808.db2.gz RUYHEUOHXFJOGK-IAGOWNOFSA-N 1 3 333.480 1.054 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631915368 450874669 /nfs/dbraw/zinc/87/46/69/450874669.db2.gz JWHVPEMCPPTWJX-AWEZNQCLSA-N 1 3 346.541 1.015 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@@H]3CC[N@H+](C)C3)ccc2oc1=O ZINC000635452175 450951765 /nfs/dbraw/zinc/95/17/65/450951765.db2.gz VGEMUZIQRDDYBN-ZDUSSCGKSA-N 1 3 346.431 1.436 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc2oc1=O ZINC000635452175 450951767 /nfs/dbraw/zinc/95/17/67/450951767.db2.gz VGEMUZIQRDDYBN-ZDUSSCGKSA-N 1 3 346.431 1.436 20 0 EDADHO CCC(C)(C)[C@H](O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000635458076 450957727 /nfs/dbraw/zinc/95/77/27/450957727.db2.gz QPZXRUHOEZAEJX-MRXNPFEDSA-N 1 3 325.497 1.458 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000626855843 450961893 /nfs/dbraw/zinc/96/18/93/450961893.db2.gz HAYIRKUNHQYTEC-OAHLLOKOSA-N 1 3 346.475 1.664 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000626855843 450961899 /nfs/dbraw/zinc/96/18/99/450961899.db2.gz HAYIRKUNHQYTEC-OAHLLOKOSA-N 1 3 346.475 1.664 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012685 450967392 /nfs/dbraw/zinc/96/73/92/450967392.db2.gz WDKYYMWWAIHIBN-QAPCUYQASA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000632012685 450967398 /nfs/dbraw/zinc/96/73/98/450967398.db2.gz WDKYYMWWAIHIBN-QAPCUYQASA-N 1 3 345.491 1.534 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NCc1ccccc1CN1CCCCC1 ZINC000626927100 451011147 /nfs/dbraw/zinc/01/11/47/451011147.db2.gz JFHQTHABIZISMO-UHFFFAOYSA-N 1 3 348.491 1.789 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000626954855 451032519 /nfs/dbraw/zinc/03/25/19/451032519.db2.gz LPRUVBRMFUSHLF-SFHVURJKSA-N 1 3 348.491 1.706 20 0 EDADHO CN1CCN(CC2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635543655 451040143 /nfs/dbraw/zinc/04/01/43/451040143.db2.gz UYURKJOXMWILTJ-UHFFFAOYSA-N 1 3 348.535 1.348 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000627015839 451080416 /nfs/dbraw/zinc/08/04/16/451080416.db2.gz AIKFUSRRRUQKOG-IBGZPJMESA-N 1 3 348.491 1.576 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000626980076 451048174 /nfs/dbraw/zinc/04/81/74/451048174.db2.gz OZJKQPDZZJHUIG-MRXNPFEDSA-N 1 3 348.491 1.747 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627202820 451184690 /nfs/dbraw/zinc/18/46/90/451184690.db2.gz KFPADHSLTQITDU-KBPBESRZSA-N 1 3 333.436 1.062 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238085 451203603 /nfs/dbraw/zinc/20/36/03/451203603.db2.gz AGWBWNVEIYJIGO-CGTJXYLNSA-N 1 3 345.491 1.828 20 0 EDADHO C[C@H](NC(=O)c1cnn(CCN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370072 451231207 /nfs/dbraw/zinc/23/12/07/451231207.db2.gz VFRGFCRTWBMEAR-HOTGVXAUSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H](NC(=O)c1cnn(CCN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370072 451231210 /nfs/dbraw/zinc/23/12/10/451231210.db2.gz VFRGFCRTWBMEAR-HOTGVXAUSA-N 1 3 347.507 1.828 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238809 /nfs/dbraw/zinc/23/88/09/451238809.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 1 3 347.503 1.847 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238811 /nfs/dbraw/zinc/23/88/11/451238811.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 1 3 347.503 1.847 20 0 EDADHO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000628490922 451266686 /nfs/dbraw/zinc/26/66/86/451266686.db2.gz JYKOSRIFCWUZRE-JKSUJKDBSA-N 1 3 329.404 1.862 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000638104352 451271960 /nfs/dbraw/zinc/27/19/60/451271960.db2.gz YJMRGHSRPWWURQ-IEBWSBKVSA-N 1 3 349.475 1.053 20 0 EDADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278289 /nfs/dbraw/zinc/27/82/89/451278289.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 1 3 325.478 1.639 20 0 EDADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000638110700 451278294 /nfs/dbraw/zinc/27/82/94/451278294.db2.gz ONSXUCQPPORERX-DZGCQCFKSA-N 1 3 325.478 1.639 20 0 EDADHO CN1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137389 451309962 /nfs/dbraw/zinc/30/99/62/451309962.db2.gz JSKUKARMWCNEEZ-OALUTQOASA-N 1 3 342.487 1.529 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC[NH2+]1 ZINC000638210720 451357367 /nfs/dbraw/zinc/35/73/67/451357367.db2.gz MCSIXKRRHOBZGD-OCCSQVGLSA-N 1 3 345.447 1.174 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269514 451389425 /nfs/dbraw/zinc/38/94/25/451389425.db2.gz PUVWHQXHFANQGI-TZMCWYRMSA-N 1 3 345.447 1.161 20 0 EDADHO CN(C)CCn1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000630736550 451372324 /nfs/dbraw/zinc/37/23/24/451372324.db2.gz NIJNXDCVJOTGHD-QGZVFWFLSA-N 1 3 335.496 1.685 20 0 EDADHO CC1CC[NH+](CCc2cccc(NC(=O)CN3CCNCC3)c2)CC1 ZINC000638303982 451418422 /nfs/dbraw/zinc/41/84/22/451418422.db2.gz XPZLHJSSFSTBCB-UHFFFAOYSA-N 1 3 344.503 1.805 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)[C@]12CCCO2 ZINC000638361216 451460490 /nfs/dbraw/zinc/46/04/90/451460490.db2.gz ZMWGQBYUDONCCH-GUDVDZBRSA-N 1 3 339.524 1.720 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367939 451467400 /nfs/dbraw/zinc/46/74/00/451467400.db2.gz RKNWMTOZRJKRIW-GNBUJSLZSA-N 1 3 343.471 1.486 20 0 EDADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000638458485 451526553 /nfs/dbraw/zinc/52/65/53/451526553.db2.gz DOERNFQMGNELFC-WBVHZDCISA-N 1 3 336.524 1.582 20 0 EDADHO COc1cccc2c1OC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000638519731 451555810 /nfs/dbraw/zinc/55/58/10/451555810.db2.gz ZBSZUJQVPMPHKB-INIZCTEOSA-N 1 3 334.460 1.824 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634954128 451621409 /nfs/dbraw/zinc/62/14/09/451621409.db2.gz ULVNLRUPDGWZBU-MRXNPFEDSA-N 1 3 340.489 1.684 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994236 451640845 /nfs/dbraw/zinc/64/08/45/451640845.db2.gz WJUJFOMCTFZOPK-UHFFFAOYSA-N 1 3 344.503 1.501 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638853576 451710938 /nfs/dbraw/zinc/71/09/38/451710938.db2.gz NKZKZEDKSGLAIW-UHFFFAOYSA-N 1 3 328.407 1.361 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000638871852 451715373 /nfs/dbraw/zinc/71/53/73/451715373.db2.gz CQDHKFKMHUDQLP-UHFFFAOYSA-N 1 3 341.459 1.668 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCCC3CC[NH2+]CC3)cn2)CC1 ZINC000632961537 451670676 /nfs/dbraw/zinc/67/06/76/451670676.db2.gz SPYUMZSJTKBHAV-UHFFFAOYSA-N 1 3 334.468 1.661 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913635 451733937 /nfs/dbraw/zinc/73/39/37/451733937.db2.gz AHTMKDJTVVWLHB-WMZOPIPTSA-N 1 3 328.460 1.162 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152507 451742361 /nfs/dbraw/zinc/74/23/61/451742361.db2.gz RBZGPDJIMNPGPS-AWEZNQCLSA-N 1 3 336.484 2.000 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637152507 451742362 /nfs/dbraw/zinc/74/23/62/451742362.db2.gz RBZGPDJIMNPGPS-AWEZNQCLSA-N 1 3 336.484 2.000 20 0 EDADHO [NH3+]CC1(CC(=O)Nc2cc(N3CCNCC3)ccn2)CCCCC1 ZINC000638984562 451746030 /nfs/dbraw/zinc/74/60/30/451746030.db2.gz MYPJAEVYUKKGLN-UHFFFAOYSA-N 1 3 331.464 1.729 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCOC1 ZINC000637262736 451773383 /nfs/dbraw/zinc/77/33/83/451773383.db2.gz BWIMSCJXHKTCMQ-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCOC1 ZINC000637262736 451773388 /nfs/dbraw/zinc/77/33/88/451773388.db2.gz BWIMSCJXHKTCMQ-JKSUJKDBSA-N 1 3 328.501 1.374 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000639270662 451802517 /nfs/dbraw/zinc/80/25/17/451802517.db2.gz QQHVMKNOFOFSSB-LJQANCHMSA-N 1 3 345.487 1.899 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770925 451830963 /nfs/dbraw/zinc/83/09/63/451830963.db2.gz FWSRQTSPBORJFC-NXHRZFHOSA-N 1 3 330.476 1.879 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522589 451922501 /nfs/dbraw/zinc/92/25/01/451922501.db2.gz GVUDZGNUMPKDQK-INIZCTEOSA-N 1 3 349.479 1.345 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522589 451922507 /nfs/dbraw/zinc/92/25/07/451922507.db2.gz GVUDZGNUMPKDQK-INIZCTEOSA-N 1 3 349.479 1.345 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000644734463 451962064 /nfs/dbraw/zinc/96/20/64/451962064.db2.gz PYVYYJIFONXPAH-RCCFBDPRSA-N 1 3 330.476 1.041 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000644734463 451962069 /nfs/dbraw/zinc/96/20/69/451962069.db2.gz PYVYYJIFONXPAH-RCCFBDPRSA-N 1 3 330.476 1.041 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])N[C@H](C)c1ccccc1 ZINC000642909888 451986658 /nfs/dbraw/zinc/98/66/58/451986658.db2.gz WPBYPHPGWFHYHU-BFYDXBDKSA-N 1 3 348.491 1.332 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H](C[NH+](C)C)C3)cn2)CC1 ZINC000637663463 452005692 /nfs/dbraw/zinc/00/56/92/452005692.db2.gz DJYNKCQEFWYCQM-AWEZNQCLSA-N 1 3 334.468 1.565 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649329707 452009321 /nfs/dbraw/zinc/00/93/21/452009321.db2.gz CPPXAGCQLRLCQH-NZSAHSFTSA-N 1 3 345.487 1.734 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)N(C)Cc1ccccc1 ZINC000649332837 452014364 /nfs/dbraw/zinc/01/43/64/452014364.db2.gz LLELKKCTCCAKDA-DZGCQCFKSA-N 1 3 325.403 1.868 20 0 EDADHO C[NH+](C)C1(CNC(=O)C2(N)Cc3ccccc3C2)Cc2ccccc2C1 ZINC000649338967 452018954 /nfs/dbraw/zinc/01/89/54/452018954.db2.gz RZBNCFKVAUFMAN-UHFFFAOYSA-N 1 3 349.478 1.698 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649344609 452024200 /nfs/dbraw/zinc/02/42/00/452024200.db2.gz HDBWFPWFMHZHAN-SJLPKXTDSA-N 1 3 331.460 1.345 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000649344428 452024239 /nfs/dbraw/zinc/02/42/39/452024239.db2.gz XNZZRYFSSGEZLF-KGLIPLIRSA-N 1 3 333.423 1.191 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CCN(C)C1 ZINC000649345414 452026407 /nfs/dbraw/zinc/02/64/07/452026407.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 1 3 344.503 1.390 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CCN(C)C1 ZINC000649345414 452026410 /nfs/dbraw/zinc/02/64/10/452026410.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 1 3 344.503 1.390 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351392 452036121 /nfs/dbraw/zinc/03/61/21/452036121.db2.gz UDJLPWMCXZQHLA-XLIONFOSSA-N 1 3 342.487 1.457 20 0 EDADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000637723865 452047633 /nfs/dbraw/zinc/04/76/33/452047633.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000637723865 452047639 /nfs/dbraw/zinc/04/76/39/452047639.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000637723865 452047642 /nfs/dbraw/zinc/04/76/42/452047642.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000637723865 452047645 /nfs/dbraw/zinc/04/76/45/452047645.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 1 3 330.476 1.916 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798478 452089205 /nfs/dbraw/zinc/08/92/05/452089205.db2.gz HPVJOZVVICYGKR-SCTDSRPQSA-N 1 3 333.476 1.953 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758623 452095966 /nfs/dbraw/zinc/09/59/66/452095966.db2.gz WPOVVSBGUOIPTP-UHFFFAOYSA-N 1 3 345.487 1.867 20 0 EDADHO CC1(C)CNCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637858143 452118079 /nfs/dbraw/zinc/11/80/79/452118079.db2.gz YRXAFJHSXIHIEN-UHFFFAOYSA-N 1 3 344.503 1.580 20 0 EDADHO CN1CCC[C@H]1CC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121030 /nfs/dbraw/zinc/12/10/30/452121030.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 1 3 327.538 1.610 20 0 EDADHO CN1CCC[C@H]1CC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121032 /nfs/dbraw/zinc/12/10/32/452121032.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 1 3 327.538 1.610 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641779434 452250321 /nfs/dbraw/zinc/25/03/21/452250321.db2.gz HDOOVYVMZAMSJI-SJLPKXTDSA-N 1 3 328.460 1.753 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000659432826 452279935 /nfs/dbraw/zinc/27/99/35/452279935.db2.gz PZJKJOGDLPPLPK-QGZVFWFLSA-N 1 3 336.480 1.800 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC000652119391 452314518 /nfs/dbraw/zinc/31/45/18/452314518.db2.gz AAMNMBGECUJINT-BJLQDIEVSA-N 1 3 344.503 1.930 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000638049334 452318645 /nfs/dbraw/zinc/31/86/45/452318645.db2.gz CVJRSEBFMXMOKB-YQVWRLOYSA-N 1 3 331.460 1.707 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000641858119 452325722 /nfs/dbraw/zinc/32/57/22/452325722.db2.gz GAQJQKMZBCYTEC-WKILWMFISA-N 1 3 331.464 1.678 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659472544 452330143 /nfs/dbraw/zinc/33/01/43/452330143.db2.gz NQZBWNJTRJREDQ-IAOVAPTHSA-N 1 3 349.454 1.688 20 0 EDADHO COc1cc2c(cc1CN[C@@H](C)CN(C)CCC[NH+](C)C)OCO2 ZINC000657572642 452342926 /nfs/dbraw/zinc/34/29/26/452342926.db2.gz DUKRXGWLSTXCPI-AWEZNQCLSA-N 1 3 337.464 1.786 20 0 EDADHO CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764266 452349754 /nfs/dbraw/zinc/34/97/54/452349754.db2.gz ZSZZKRLYKVYVHK-HRCADAONSA-N 1 3 328.501 1.061 20 0 EDADHO CC[C@@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764266 452349760 /nfs/dbraw/zinc/34/97/60/452349760.db2.gz ZSZZKRLYKVYVHK-HRCADAONSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CCN1Cc1ccccc1 ZINC000659492768 452355732 /nfs/dbraw/zinc/35/57/32/452355732.db2.gz KFFINTJGTQGTSH-BBPFYFEFSA-N 1 3 328.460 1.701 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000638064386 452364336 /nfs/dbraw/zinc/36/43/36/452364336.db2.gz SXISYFZXBLBPIP-QUCCMNQESA-N 1 3 345.487 1.577 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070535 452376187 /nfs/dbraw/zinc/37/61/87/452376187.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070535 452376196 /nfs/dbraw/zinc/37/61/96/452376196.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 1 3 346.519 1.825 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659518761 452382951 /nfs/dbraw/zinc/38/29/51/452382951.db2.gz ZWASAYDYVFNJRC-IAGOWNOFSA-N 1 3 338.496 1.447 20 0 EDADHO CN1CCC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638079879 452395550 /nfs/dbraw/zinc/39/55/50/452395550.db2.gz WYXQAHLCUDOZLX-SFHVURJKSA-N 1 3 344.503 1.580 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659537599 452398464 /nfs/dbraw/zinc/39/84/64/452398464.db2.gz SWMDMRZYEVBFNZ-MAUKXSAKSA-N 1 3 345.491 1.591 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567691 452424606 /nfs/dbraw/zinc/42/46/06/452424606.db2.gz YAJJCUIFGGGBHQ-GOSISDBHSA-N 1 3 345.491 1.687 20 0 EDADHO CN1CCN(CCCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000645478172 452449662 /nfs/dbraw/zinc/44/96/62/452449662.db2.gz BOVHDYHHXZLFGN-QGZVFWFLSA-N 1 3 336.455 1.012 20 0 EDADHO Cc1csc(=O)n1CCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346755 452523619 /nfs/dbraw/zinc/52/36/19/452523619.db2.gz GWVKHGIXYIHOCB-ZNMIVQPWSA-N 1 3 325.478 1.437 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730889 452543268 /nfs/dbraw/zinc/54/32/68/452543268.db2.gz VOMVVWKSRAXIEJ-LMMKCTJWSA-N 1 3 339.524 1.719 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688599 452566078 /nfs/dbraw/zinc/56/60/78/452566078.db2.gz CFNBKYOUQADIAK-HNNXBMFYSA-N 1 3 338.496 1.145 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000666182874 452666725 /nfs/dbraw/zinc/66/67/25/452666725.db2.gz AMFKVHOIPQOYGG-UHFFFAOYSA-N 1 3 348.495 1.688 20 0 EDADHO CC(C)[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC[NH2+]1 ZINC000647929097 452667218 /nfs/dbraw/zinc/66/72/18/452667218.db2.gz JRMNJLDBVZUNLG-QZTJIDSGSA-N 1 3 332.492 1.335 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655921763 452683651 /nfs/dbraw/zinc/68/36/51/452683651.db2.gz PNVSTLXWYFLSCO-NEPJUHHUSA-N 1 3 340.390 1.018 20 0 EDADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCN(C2CCOCC2)CC1 ZINC000658067390 452714547 /nfs/dbraw/zinc/71/45/47/452714547.db2.gz MZSGEXFTNSDWOW-CQSZACIVSA-N 1 3 332.510 1.290 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975673 452720388 /nfs/dbraw/zinc/72/03/88/452720388.db2.gz DMTWYGOKKLJCEP-BBWFWOEESA-N 1 3 325.497 1.629 20 0 EDADHO O=c1n2ccccc2nn1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978590 452723396 /nfs/dbraw/zinc/72/33/96/452723396.db2.gz VFQSNEZHADQDSG-HZPDHXFCSA-N 1 3 329.448 1.208 20 0 EDADHO c1ccc(-c2n[nH]c([C@@H]3CCCN(CCN4CC[NH2+]CC4)C3)n2)cc1 ZINC000647989976 452733355 /nfs/dbraw/zinc/73/33/55/452733355.db2.gz LMYMDQPEQAXSMV-QGZVFWFLSA-N 1 3 340.475 1.556 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655958484 452738673 /nfs/dbraw/zinc/73/86/73/452738673.db2.gz LBDVVYGPHODTGS-JKSUJKDBSA-N 1 3 330.432 1.217 20 0 EDADHO C[C@@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138380 452746962 /nfs/dbraw/zinc/74/69/62/452746962.db2.gz MRCXYQOTBDZHJR-CRAIPNDOSA-N 1 3 343.475 1.758 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(COC)CC1 ZINC000654689598 452810434 /nfs/dbraw/zinc/81/04/34/452810434.db2.gz LXRKKKXYKFSMAH-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(COC)CC1 ZINC000654689598 452810442 /nfs/dbraw/zinc/81/04/42/452810442.db2.gz LXRKKKXYKFSMAH-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000659949745 452844014 /nfs/dbraw/zinc/84/40/14/452844014.db2.gz VXJCGQPHIVZJRR-HNNXBMFYSA-N 1 3 325.478 1.368 20 0 EDADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846700 452846936 /nfs/dbraw/zinc/84/69/36/452846936.db2.gz UIESJWQXAPLNLN-HOCLYGCPSA-N 1 3 344.459 1.320 20 0 EDADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846700 452846946 /nfs/dbraw/zinc/84/69/46/452846946.db2.gz UIESJWQXAPLNLN-HOCLYGCPSA-N 1 3 344.459 1.320 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000652701791 452851880 /nfs/dbraw/zinc/85/18/80/452851880.db2.gz JCDIIABVLRBKNL-UHFFFAOYSA-N 1 3 346.475 1.000 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NCc1ccc2c(c1)CNC2 ZINC000652701791 452851884 /nfs/dbraw/zinc/85/18/84/452851884.db2.gz JCDIIABVLRBKNL-UHFFFAOYSA-N 1 3 346.475 1.000 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000666438644 452871291 /nfs/dbraw/zinc/87/12/91/452871291.db2.gz WEMCAJIOLCOWIV-SAABIXHNSA-N 1 3 348.491 1.731 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000648169623 452881105 /nfs/dbraw/zinc/88/11/05/452881105.db2.gz CKVCYWFYMXWNBO-IAGOWNOFSA-N 1 3 331.460 1.946 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)C[C@H]1c1ccccc1F ZINC000648177943 452889721 /nfs/dbraw/zinc/88/97/21/452889721.db2.gz CRGCPDCBMJECMB-OUCADQQQSA-N 1 3 327.350 1.324 20 0 EDADHO CN(CCN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000645933613 452912374 /nfs/dbraw/zinc/91/23/74/452912374.db2.gz LYMRYDMRIGJHDU-SFHVURJKSA-N 1 3 344.503 1.261 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3COC)CC2)CC1 ZINC000654857351 452980246 /nfs/dbraw/zinc/98/02/46/452980246.db2.gz OFMLNPSWFLOXRK-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000662299133 453020152 /nfs/dbraw/zinc/02/01/52/453020152.db2.gz ZXXJUODNHAJEML-FHWLQOOXSA-N 1 3 349.519 1.868 20 0 EDADHO CCN1CC[C@@H](N2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000660155940 453087970 /nfs/dbraw/zinc/08/79/70/453087970.db2.gz FGOUYILUNRODGC-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO CCN1CC[C@@H](N2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O ZINC000660155940 453087979 /nfs/dbraw/zinc/08/79/79/453087979.db2.gz FGOUYILUNRODGC-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000644154768 453088230 /nfs/dbraw/zinc/08/82/30/453088230.db2.gz UZZFSPHUWVDRAE-IAGOWNOFSA-N 1 3 331.460 1.392 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CC2CN(C)C2)c1 ZINC000658534055 453089003 /nfs/dbraw/zinc/08/90/03/453089003.db2.gz BANOEQIIDKSTJS-UHFFFAOYSA-N 1 3 346.475 1.487 20 0 EDADHO CC(C)N1CC[NH+](C2CCN(C(=O)CN3CC(C)(C)C3)CC2)CC1 ZINC000654970265 453090307 /nfs/dbraw/zinc/09/03/07/453090307.db2.gz JCHOAWAFWKFLTQ-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)[NH+]1CCN(C2CCN(C(=O)CN3CC(C)(C)C3)CC2)CC1 ZINC000654970265 453090315 /nfs/dbraw/zinc/09/03/15/453090315.db2.gz JCHOAWAFWKFLTQ-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160230 453091206 /nfs/dbraw/zinc/09/12/06/453091206.db2.gz VBAFQTLWNLCWTP-FVQBIDKESA-N 1 3 337.414 1.868 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662416346 453126302 /nfs/dbraw/zinc/12/63/02/453126302.db2.gz XBQPPTPVUCZGPD-CQSZACIVSA-N 1 3 340.431 1.491 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662470102 453181066 /nfs/dbraw/zinc/18/10/66/453181066.db2.gz CQCMXRGNNYVWOR-SFHVURJKSA-N 1 3 330.476 1.317 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H]4CN(C)C[C@@H]43)CC2)CC1 ZINC000655105213 453224340 /nfs/dbraw/zinc/22/43/40/453224340.db2.gz UNPUWOMFYWASFF-HKUYNNGSSA-N 1 3 348.535 1.345 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000646214273 453227491 /nfs/dbraw/zinc/22/74/91/453227491.db2.gz QWXNFUWGZASYDU-HZPDHXFCSA-N 1 3 339.528 1.312 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000664600098 453235126 /nfs/dbraw/zinc/23/51/26/453235126.db2.gz DIOKSNLIFAHDCG-GJZGRUSLSA-N 1 3 342.528 1.904 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000664600098 453235131 /nfs/dbraw/zinc/23/51/31/453235131.db2.gz DIOKSNLIFAHDCG-GJZGRUSLSA-N 1 3 342.528 1.904 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662526488 453246665 /nfs/dbraw/zinc/24/66/65/453246665.db2.gz ZPDBWVOMCRHYEE-UHFFFAOYSA-N 1 3 342.447 1.194 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666974480 453291856 /nfs/dbraw/zinc/29/18/56/453291856.db2.gz RGUBUASVCYCPFS-DJIMGWMZSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666974480 453291863 /nfs/dbraw/zinc/29/18/63/453291863.db2.gz RGUBUASVCYCPFS-DJIMGWMZSA-N 1 3 338.496 1.221 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976672 453294916 /nfs/dbraw/zinc/29/49/16/453294916.db2.gz NDSAOZOQXNMSJF-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114011 453301930 /nfs/dbraw/zinc/30/19/30/453301930.db2.gz VTVQGEOOMPHBCY-MPGHIAIKSA-N 1 3 349.500 1.312 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)c(C)c2)CC1 ZINC000653123726 453318083 /nfs/dbraw/zinc/31/80/83/453318083.db2.gz FIHMATSBNHHRDG-KRWDZBQOSA-N 1 3 347.507 1.354 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000662607515 453329235 /nfs/dbraw/zinc/32/92/35/453329235.db2.gz CVCWPVHTKNIRAR-UHFFFAOYSA-N 1 3 332.492 1.785 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000667067761 453383673 /nfs/dbraw/zinc/38/36/73/453383673.db2.gz IGSLXXRLMQIXIN-DZGCQCFKSA-N 1 3 332.448 1.635 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667088160 453396927 /nfs/dbraw/zinc/39/69/27/453396927.db2.gz FBFVQKBNSWCDDP-CVEARBPZSA-N 1 3 330.432 1.169 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3[NH2+]CCC3(C)C)ccc2oc1=O ZINC000662700773 453421296 /nfs/dbraw/zinc/42/12/96/453421296.db2.gz KNVQPXLZPPLZRX-OAHLLOKOSA-N 1 3 346.431 1.483 20 0 EDADHO C[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)[C@@H]1CC[NH3+] ZINC000653240441 453423056 /nfs/dbraw/zinc/42/30/56/453423056.db2.gz NXUNCDWWYLSGSL-IAGOWNOFSA-N 1 3 337.508 1.997 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2c1CCNC2 ZINC000662719825 453443211 /nfs/dbraw/zinc/44/32/11/453443211.db2.gz LBQMVUXCGVEGFS-UHFFFAOYSA-N 1 3 343.471 1.707 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnn2ccccc12 ZINC000664880089 453460886 /nfs/dbraw/zinc/46/08/86/453460886.db2.gz VMHGQUVANJVHEI-HNNXBMFYSA-N 1 3 346.479 1.406 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnn2ccccc12 ZINC000664880089 453460894 /nfs/dbraw/zinc/46/08/94/453460894.db2.gz VMHGQUVANJVHEI-HNNXBMFYSA-N 1 3 346.479 1.406 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662756037 453491669 /nfs/dbraw/zinc/49/16/69/453491669.db2.gz HAEMRKUCNWYKTA-YJBOKZPZSA-N 1 3 330.476 1.363 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662771327 453508739 /nfs/dbraw/zinc/50/87/39/453508739.db2.gz XDQIQUHEEJXETQ-MRXNPFEDSA-N 1 3 340.431 1.126 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750108 453560318 /nfs/dbraw/zinc/56/03/18/453560318.db2.gz AQLQVVIHELZUTI-KZNAEPCWSA-N 1 3 336.524 1.251 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000667336715 453567850 /nfs/dbraw/zinc/56/78/50/453567850.db2.gz NGEPVLIVSJHAQO-MSOLQXFVSA-N 1 3 334.508 1.844 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc3c2CCNC3)CCO1 ZINC000659018957 453582998 /nfs/dbraw/zinc/58/29/98/453582998.db2.gz UFHSDYMPULQZLM-MRXNPFEDSA-N 1 3 346.475 1.907 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659034350 453590715 /nfs/dbraw/zinc/59/07/15/453590715.db2.gz LYAWKQCTTGGVJH-MSOLQXFVSA-N 1 3 344.459 1.953 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034350 453590717 /nfs/dbraw/zinc/59/07/17/453590717.db2.gz LYAWKQCTTGGVJH-MSOLQXFVSA-N 1 3 344.459 1.953 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000662915456 453601966 /nfs/dbraw/zinc/60/19/66/453601966.db2.gz MPGLEAWJIRJAAR-KRWDZBQOSA-N 1 3 331.460 1.432 20 0 EDADHO CO[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCOC1 ZINC000665235265 453619144 /nfs/dbraw/zinc/61/91/44/453619144.db2.gz SVXFADPHJVAOCG-WLWJZTKJSA-N 1 3 332.444 1.883 20 0 EDADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013173 453646887 /nfs/dbraw/zinc/64/68/87/453646887.db2.gz ACAYACYQUDNXPO-KSSFIOAISA-N 1 3 348.495 1.043 20 0 EDADHO CC(C)[C@H](C[NH2+]Cc1ccnn1-c1ccncc1)N1CCN(C)CC1 ZINC000657304483 453760973 /nfs/dbraw/zinc/76/09/73/453760973.db2.gz YTZZJQQDKGUYJH-IBGZPJMESA-N 1 3 342.491 1.629 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1 ZINC000663449027 453801415 /nfs/dbraw/zinc/80/14/15/453801415.db2.gz AGJHFVDTFRBMJU-BZSNNMDCSA-N 1 3 348.491 1.386 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000671747114 486740293 /nfs/dbraw/zinc/74/02/93/486740293.db2.gz JMCLHRBPTPKSNK-LMSBXDPUSA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000671747114 486740299 /nfs/dbraw/zinc/74/02/99/486740299.db2.gz JMCLHRBPTPKSNK-LMSBXDPUSA-N 1 3 342.487 1.827 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416978615 486790353 /nfs/dbraw/zinc/79/03/53/486790353.db2.gz VXUYWAOITLPWJI-HZPDHXFCSA-N 1 3 334.464 1.696 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000673177109 486936064 /nfs/dbraw/zinc/93/60/64/486936064.db2.gz GEPZGGJGBIHJMJ-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCC(OC)CC1 ZINC000673177109 486936068 /nfs/dbraw/zinc/93/60/68/486936068.db2.gz GEPZGGJGBIHJMJ-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(CO)cc1 ZINC000667812400 486976332 /nfs/dbraw/zinc/97/63/32/486976332.db2.gz LTDGNHVILVGZAI-GOSISDBHSA-N 1 3 333.476 1.667 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(CO)cc1 ZINC000667812400 486976340 /nfs/dbraw/zinc/97/63/40/486976340.db2.gz LTDGNHVILVGZAI-GOSISDBHSA-N 1 3 333.476 1.667 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000684257035 487003396 /nfs/dbraw/zinc/00/33/96/487003396.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000684257035 487003402 /nfs/dbraw/zinc/00/34/02/487003402.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670700 487085127 /nfs/dbraw/zinc/08/51/27/487085127.db2.gz NKXWOBORDSKRHW-JXFKEZNVSA-N 1 3 345.487 1.470 20 0 EDADHO CN(C)CCN(C)c1nc2ncccc2nc1N(C)CC[NH+](C)C ZINC000675153361 487383299 /nfs/dbraw/zinc/38/32/99/487383299.db2.gz LFWLYMMEMAVBAO-UHFFFAOYSA-N 1 3 331.468 1.020 20 0 EDADHO CC[C@@H]1CN(C(=O)NC2CCN(CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000669513901 485478691 /nfs/dbraw/zinc/47/86/91/485478691.db2.gz PKJZKCYSJFTIMW-WBVHZDCISA-N 1 3 340.512 1.645 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000669139193 485728558 /nfs/dbraw/zinc/72/85/58/485728558.db2.gz FRHBOSXGIHMBNI-SJLPKXTDSA-N 1 3 348.491 1.896 20 0 EDADHO C[NH+](C)CCCOc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000237108183 485953115 /nfs/dbraw/zinc/95/31/15/485953115.db2.gz NGPYZEGGGYQHBI-QGZVFWFLSA-N 1 3 335.448 1.724 20 0 EDADHO O=C(NC[C@H]1CCCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000669389697 486025786 /nfs/dbraw/zinc/02/57/86/486025786.db2.gz WTCNQFPEYIUMSQ-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO CC1CCN([C@H](CNC(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000669402562 486072547 /nfs/dbraw/zinc/07/25/47/486072547.db2.gz GUIDMBOOZNDTQM-GOSISDBHSA-N 1 3 330.476 1.978 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000672693402 486179400 /nfs/dbraw/zinc/17/94/00/486179400.db2.gz ACCDULLRIODZIH-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000672693400 486179552 /nfs/dbraw/zinc/17/95/52/486179552.db2.gz ACCDULLRIODZIH-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO O=C(NCC1C[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000669477698 486237825 /nfs/dbraw/zinc/23/78/25/486237825.db2.gz DDKYJZAGMILEDY-UHFFFAOYSA-N 1 3 326.510 1.257 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669135407 491019464 /nfs/dbraw/zinc/01/94/64/491019464.db2.gz ZQLHBCMXCLXVOR-INIZCTEOSA-N 1 3 334.464 1.568 20 0 EDADHO O[C@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490355 491180050 /nfs/dbraw/zinc/18/00/50/491180050.db2.gz QHEFGLFNBLMSMS-MSOLQXFVSA-N 1 3 341.459 1.281 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237195873 536545937 /nfs/dbraw/zinc/54/59/37/536545937.db2.gz BXCNXGATKJWPPY-CRAIPNDOSA-N 1 3 333.476 1.940 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccnn1C ZINC000263657762 535592720 /nfs/dbraw/zinc/59/27/20/535592720.db2.gz CIIVBFKVMPSDKO-IJDCCNJMSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccnn1C ZINC000263657762 535592725 /nfs/dbraw/zinc/59/27/25/535592725.db2.gz CIIVBFKVMPSDKO-IJDCCNJMSA-N 1 3 333.480 1.308 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000347470104 535675853 /nfs/dbraw/zinc/67/58/53/535675853.db2.gz AGUWXAUQXJLDDV-UHFFFAOYSA-N 1 3 338.540 1.594 20 0 EDADHO CCN(C)C(=O)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264274619 535713599 /nfs/dbraw/zinc/71/35/99/535713599.db2.gz BUSJLEPKQMBTDR-IBGZPJMESA-N 1 3 347.503 1.842 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262665421 535951697 /nfs/dbraw/zinc/95/16/97/535951697.db2.gz JKLUDXKCVUFTJD-SNRMKQJTSA-N 1 3 347.503 1.922 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000269915846 535971699 /nfs/dbraw/zinc/97/16/99/535971699.db2.gz OVYCIPWRRFXOPZ-LJQANCHMSA-N 1 3 333.476 1.715 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263213534 536752511 /nfs/dbraw/zinc/75/25/11/536752511.db2.gz KMZNTDPBKIGAIF-MAUKXSAKSA-N 1 3 325.497 1.900 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448204 578712728 /nfs/dbraw/zinc/71/27/28/578712728.db2.gz FPZAHNAHLSCBNY-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734272137 578804139 /nfs/dbraw/zinc/80/41/39/578804139.db2.gz BGNPFMMJYDUQGR-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000745696614 579558250 /nfs/dbraw/zinc/55/82/50/579558250.db2.gz HGNSGMNEGAJWOY-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCCC[NH2+]C2CCCCC2)cn1 ZINC000747557632 579649156 /nfs/dbraw/zinc/64/91/56/579649156.db2.gz OZCKEFCOSMPUDT-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000763069406 580091884 /nfs/dbraw/zinc/09/18/84/580091884.db2.gz OMVUPTKUIPLXNP-HNAYVOBHSA-N 1 3 345.487 1.516 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)C2(C[NH3+])CCCCC2)CCCO1 ZINC000891858625 590659077 /nfs/dbraw/zinc/65/90/77/590659077.db2.gz SVOPHPLAXMZFRE-MRXNPFEDSA-N 1 3 340.512 1.790 20 0 EDADHO C[C@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CCN1c1ccncc1 ZINC000892101466 590800258 /nfs/dbraw/zinc/80/02/58/590800258.db2.gz RRBAAPJRQMLGOW-HNNXBMFYSA-N 1 3 329.448 1.612 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892443788 591030541 /nfs/dbraw/zinc/03/05/41/591030541.db2.gz GMKGTMAHMRJACT-SHTZXODSSA-N 1 3 326.485 1.256 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCc3ccccc3OCC[NH+](C)C)[C@@H]2C1 ZINC000892479819 591041891 /nfs/dbraw/zinc/04/18/91/591041891.db2.gz PNJQUEOBTHVRLO-IAGOWNOFSA-N 1 3 346.475 1.473 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491402 591047989 /nfs/dbraw/zinc/04/79/89/591047989.db2.gz JLZSPMXXJIATNQ-HZPDHXFCSA-N 1 3 339.528 1.090 20 0 EDADHO CN(C)CCN1CCC(NC(=O)N(C)CCCCCC[NH3+])CC1 ZINC000891340709 591050549 /nfs/dbraw/zinc/05/05/49/591050549.db2.gz UDQMLXUQVJXLPG-UHFFFAOYSA-N 1 3 327.517 1.173 20 0 EDADHO C[C@@H](CNC(=O)NCc1cc(N)ccn1)[N@H+](C)Cc1ccccc1 ZINC000891539077 591113720 /nfs/dbraw/zinc/11/37/20/591113720.db2.gz ZIJVDLIUQJXNNE-AWEZNQCLSA-N 1 3 327.432 1.984 20 0 EDADHO C[C@@H](CNC(=O)NCc1cc(N)ccn1)[N@@H+](C)Cc1ccccc1 ZINC000891539077 591113723 /nfs/dbraw/zinc/11/37/23/591113723.db2.gz ZIJVDLIUQJXNNE-AWEZNQCLSA-N 1 3 327.432 1.984 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC1 ZINC000892687845 591130968 /nfs/dbraw/zinc/13/09/68/591130968.db2.gz YFPBSRNKMFPJGL-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759608 591164975 /nfs/dbraw/zinc/16/49/75/591164975.db2.gz KEZMXTSJWRDZJO-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO CN(C(=O)NC[C@@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892788625 591178767 /nfs/dbraw/zinc/17/87/67/591178767.db2.gz FFCWZPCUDRCUGR-KTGAGVNESA-N 1 3 328.460 1.625 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892807732 591186839 /nfs/dbraw/zinc/18/68/39/591186839.db2.gz FSBVUAPAQGHBEB-GOSISDBHSA-N 1 3 330.476 1.684 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000892943107 591232769 /nfs/dbraw/zinc/23/27/69/591232769.db2.gz DHWIUIMOSJQIPX-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895656197 591241821 /nfs/dbraw/zinc/24/18/21/591241821.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)C1 ZINC000895656197 591241823 /nfs/dbraw/zinc/24/18/23/591241823.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 1 3 338.496 1.100 20 0 EDADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000895798153 591275625 /nfs/dbraw/zinc/27/56/25/591275625.db2.gz CGGBGMJODKMVGH-GOSISDBHSA-N 1 3 342.443 1.780 20 0 EDADHO CC1(C)CC[N@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895851819 591287789 /nfs/dbraw/zinc/28/77/89/591287789.db2.gz WRKXIUKYFALXKV-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CC1(C)CC[N@@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000895851819 591287791 /nfs/dbraw/zinc/28/77/91/591287791.db2.gz WRKXIUKYFALXKV-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CN(Cc1cn2ccnc2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894460279 591318495 /nfs/dbraw/zinc/31/84/95/591318495.db2.gz VBVBNFRYDZPNFL-OAHLLOKOSA-N 1 3 333.505 1.996 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCN(C)CC1 ZINC000894951846 591497651 /nfs/dbraw/zinc/49/76/51/591497651.db2.gz WLYUEONYRSEHRN-OKILXGFUSA-N 1 3 326.510 1.017 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCN(C)CC1 ZINC000894951846 591497655 /nfs/dbraw/zinc/49/76/55/591497655.db2.gz WLYUEONYRSEHRN-OKILXGFUSA-N 1 3 326.510 1.017 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000897592337 591573389 /nfs/dbraw/zinc/57/33/89/591573389.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 1 3 342.487 1.677 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000897592337 591573390 /nfs/dbraw/zinc/57/33/90/591573390.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 1 3 342.487 1.677 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000896749808 591602623 /nfs/dbraw/zinc/60/26/23/591602623.db2.gz XZQCAHHYPORSJM-MRXNPFEDSA-N 1 3 340.512 1.469 20 0 EDADHO O=C(NC1CC[NH+](C2CCCC2)CC1)C1CN(C2CCOCC2)C1 ZINC000896843313 591630270 /nfs/dbraw/zinc/63/02/70/591630270.db2.gz PRPXEKZUFLOCNK-UHFFFAOYSA-N 1 3 335.492 1.620 20 0 EDADHO CN(CCCC[NH+]1CCCCC1)C(=O)C1CN(C2CCOCC2)C1 ZINC000899229639 591737376 /nfs/dbraw/zinc/73/73/76/591737376.db2.gz DRJONQCPKSLHFR-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCn2ccc(=O)[nH]c2=O)CC1 ZINC000898333809 591875376 /nfs/dbraw/zinc/87/53/76/591875376.db2.gz WXIGCWACERVTJR-DOTOQJQBSA-N 1 3 348.491 1.972 20 0 EDADHO CCn1cnc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000902138339 591920128 /nfs/dbraw/zinc/92/01/28/591920128.db2.gz JPWSILVWVIIAHG-UHFFFAOYSA-N 1 3 328.464 1.600 20 0 EDADHO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000902336084 591980673 /nfs/dbraw/zinc/98/06/73/591980673.db2.gz DNSJXJCJYSOMDI-HNNXBMFYSA-N 1 3 331.526 1.558 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NCc2cccc(-n3cc(CN)nn3)c2)C1 ZINC000902406658 591987310 /nfs/dbraw/zinc/98/73/10/591987310.db2.gz PGGSNSQNNAFHSM-OAHLLOKOSA-N 1 3 328.464 1.594 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000900428944 592015657 /nfs/dbraw/zinc/01/56/57/592015657.db2.gz LNDQHJZYISAQKM-ZACQAIPSSA-N 1 3 347.507 1.922 20 0 EDADHO N=C(NOCCc1c(F)cccc1F)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806178 592062901 /nfs/dbraw/zinc/06/29/01/592062901.db2.gz NKARFBCAGARCSA-XHDPSFHLSA-N 1 3 325.359 1.869 20 0 EDADHO N=C(NOCCc1c(F)cccc1F)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806178 592062902 /nfs/dbraw/zinc/06/29/02/592062902.db2.gz NKARFBCAGARCSA-XHDPSFHLSA-N 1 3 325.359 1.869 20 0 EDADHO COCCN1CC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622083 592074042 /nfs/dbraw/zinc/07/40/42/592074042.db2.gz AWGJBCIUIJCKDQ-INIZCTEOSA-N 1 3 330.432 1.741 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CN(C)C ZINC000900691075 592096178 /nfs/dbraw/zinc/09/61/78/592096178.db2.gz JIFOLEIGLJRHKJ-KZNAEPCWSA-N 1 3 333.476 1.762 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CN(C)C ZINC000900691075 592096180 /nfs/dbraw/zinc/09/61/80/592096180.db2.gz JIFOLEIGLJRHKJ-KZNAEPCWSA-N 1 3 333.476 1.762 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000903116863 592123713 /nfs/dbraw/zinc/12/37/13/592123713.db2.gz JSGBVLAOCVUGDH-CFRSGVNKSA-N 1 3 339.524 1.703 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCOC23CCCC3)(N2CCOCC2)CC1 ZINC000903187291 592135378 /nfs/dbraw/zinc/13/53/78/592135378.db2.gz ZXWZOTAADQIQNY-KRWDZBQOSA-N 1 3 337.508 1.474 20 0 EDADHO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000903277509 592150300 /nfs/dbraw/zinc/15/03/00/592150300.db2.gz ATVZXHOJSJNXDB-YSIASYRMSA-N 1 3 347.503 1.180 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000900956316 592184178 /nfs/dbraw/zinc/18/41/78/592184178.db2.gz VRWJRWBNINFITK-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510811 592190711 /nfs/dbraw/zinc/19/07/11/592190711.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 1 3 348.535 1.534 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510811 592190713 /nfs/dbraw/zinc/19/07/13/592190713.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 1 3 348.535 1.534 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1C ZINC000904371027 592240163 /nfs/dbraw/zinc/24/01/63/592240163.db2.gz HNUZPZOHXHZWKJ-MRXNPFEDSA-N 1 3 343.431 1.669 20 0 EDADHO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000904371027 592240166 /nfs/dbraw/zinc/24/01/66/592240166.db2.gz HNUZPZOHXHZWKJ-MRXNPFEDSA-N 1 3 343.431 1.669 20 0 EDADHO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000904371027 592240170 /nfs/dbraw/zinc/24/01/70/592240170.db2.gz HNUZPZOHXHZWKJ-MRXNPFEDSA-N 1 3 343.431 1.669 20 0 EDADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000904389708 592243427 /nfs/dbraw/zinc/24/34/27/592243427.db2.gz RQRUGCKRFZBIFI-HNNXBMFYSA-N 1 3 345.422 1.736 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000901200688 592283462 /nfs/dbraw/zinc/28/34/62/592283462.db2.gz IPYADGINEPRRSH-MSOLQXFVSA-N 1 3 347.507 1.748 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000901200688 592283465 /nfs/dbraw/zinc/28/34/65/592283465.db2.gz IPYADGINEPRRSH-MSOLQXFVSA-N 1 3 347.507 1.748 20 0 EDADHO CCN1C[C@H](CN(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731964 592288075 /nfs/dbraw/zinc/28/80/75/592288075.db2.gz BKQALJSWPZHXSS-ABSDTBQOSA-N 1 3 345.487 1.974 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000904603597 592293196 /nfs/dbraw/zinc/29/31/96/592293196.db2.gz JEDZZOADTNAIQN-OLZOCXBDSA-N 1 3 332.404 1.508 20 0 EDADHO CN(C)CCOc1cc(-c2noc(C3=CCC[NH2+]CC3)n2)ccn1 ZINC000904628535 592298185 /nfs/dbraw/zinc/29/81/85/592298185.db2.gz VQYNMBOKHDPEFP-UHFFFAOYSA-N 1 3 329.404 1.839 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637705 592300649 /nfs/dbraw/zinc/30/06/49/592300649.db2.gz VHGIRKRNPBJRRL-CQSZACIVSA-N 1 3 332.448 1.862 20 0 EDADHO CCC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755412 592313247 /nfs/dbraw/zinc/31/32/47/592313247.db2.gz GTZVNZJGTYXGKY-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(NC2=NCCC2)cc1 ZINC000908120878 592332762 /nfs/dbraw/zinc/33/27/62/592332762.db2.gz XSNVYUGNKKYJAQ-KRWDZBQOSA-N 1 3 344.459 1.867 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903860710 592349427 /nfs/dbraw/zinc/34/94/27/592349427.db2.gz UKFFXPWWFZYSHO-LMMKCTJWSA-N 1 3 330.476 1.219 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903860712 592349786 /nfs/dbraw/zinc/34/97/86/592349786.db2.gz UKFFXPWWFZYSHO-YQVWRLOYSA-N 1 3 330.476 1.219 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908298 592374252 /nfs/dbraw/zinc/37/42/52/592374252.db2.gz GHJACAGJZXPSKP-QZTJIDSGSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908298 592374256 /nfs/dbraw/zinc/37/42/56/592374256.db2.gz GHJACAGJZXPSKP-QZTJIDSGSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908298 592374261 /nfs/dbraw/zinc/37/42/61/592374261.db2.gz GHJACAGJZXPSKP-QZTJIDSGSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNC[C@H](c2ccccc2)N(C)C)cnn1C ZINC000903925285 592379702 /nfs/dbraw/zinc/37/97/02/592379702.db2.gz DHTWVPQJUYANAN-QFBILLFUSA-N 1 3 329.492 1.738 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933140 592384626 /nfs/dbraw/zinc/38/46/26/592384626.db2.gz YWUAPSSJJYLLRP-MJGOQNOKSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933140 592384631 /nfs/dbraw/zinc/38/46/31/592384631.db2.gz YWUAPSSJJYLLRP-MJGOQNOKSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933140 592384636 /nfs/dbraw/zinc/38/46/36/592384636.db2.gz YWUAPSSJJYLLRP-MJGOQNOKSA-N 1 3 349.523 1.033 20 0 EDADHO COC(=O)[C@]12C[N@H+](Cc3cccc4c3CCNC4)C[C@H]1COCC2 ZINC000903917458 592390267 /nfs/dbraw/zinc/39/02/67/592390267.db2.gz LYDAKBTUUPRONC-QFBILLFUSA-N 1 3 330.428 1.344 20 0 EDADHO COC(=O)[C@]12C[N@@H+](Cc3cccc4c3CCNC4)C[C@H]1COCC2 ZINC000903917458 592390271 /nfs/dbraw/zinc/39/02/71/592390271.db2.gz LYDAKBTUUPRONC-QFBILLFUSA-N 1 3 330.428 1.344 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903959468 592391045 /nfs/dbraw/zinc/39/10/45/592391045.db2.gz INXUHXYUNAGLQE-NUEKZKHPSA-N 1 3 339.480 1.426 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000903959468 592391049 /nfs/dbraw/zinc/39/10/49/592391049.db2.gz INXUHXYUNAGLQE-NUEKZKHPSA-N 1 3 339.480 1.426 20 0 EDADHO NCC(=O)N1CCC[C@H](CN(CC[NH3+])Cc2cccc(Cl)c2)C1 ZINC000903953158 592393864 /nfs/dbraw/zinc/39/38/64/592393864.db2.gz BDCCAFVYWPLHGB-OAHLLOKOSA-N 1 3 338.883 1.298 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433555 /nfs/dbraw/zinc/43/35/55/592433555.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 1 3 336.524 1.203 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433558 /nfs/dbraw/zinc/43/35/58/592433558.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151403 592440602 /nfs/dbraw/zinc/44/06/02/592440602.db2.gz AODBBLBPGGLEJL-NEWSRXKRSA-N 1 3 348.487 1.532 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151403 592440603 /nfs/dbraw/zinc/44/06/03/592440603.db2.gz AODBBLBPGGLEJL-NEWSRXKRSA-N 1 3 348.487 1.532 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905176448 592455921 /nfs/dbraw/zinc/45/59/21/592455921.db2.gz ROVCPRVECNIXFS-OKZBNKHCSA-N 1 3 340.508 1.400 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)CCOCc2ccccc2)CC1(C)C ZINC000905246860 592476007 /nfs/dbraw/zinc/47/60/07/592476007.db2.gz JIONOHKTHBUBQK-IBGZPJMESA-N 1 3 349.519 1.570 20 0 EDADHO Cc1nc2nc(C)cc(N3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)n2n1 ZINC000905701575 592614393 /nfs/dbraw/zinc/61/43/93/592614393.db2.gz OOKNKQSRWBSLJX-IYBDPMFKSA-N 1 3 341.463 1.146 20 0 EDADHO Cc1nc2nc(C)cc(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)n2n1 ZINC000905701575 592614395 /nfs/dbraw/zinc/61/43/95/592614395.db2.gz OOKNKQSRWBSLJX-IYBDPMFKSA-N 1 3 341.463 1.146 20 0 EDADHO Cc1nc2nc(C)cc(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)n2n1 ZINC000905701575 592614396 /nfs/dbraw/zinc/61/43/96/592614396.db2.gz OOKNKQSRWBSLJX-IYBDPMFKSA-N 1 3 341.463 1.146 20 0 EDADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C1(O)CCCC1 ZINC000905910125 592691160 /nfs/dbraw/zinc/69/11/60/592691160.db2.gz UNJMXRNMFYTJFI-LJQANCHMSA-N 1 3 332.488 1.949 20 0 EDADHO CN(C)CCn1nccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000907633843 592735115 /nfs/dbraw/zinc/73/51/15/592735115.db2.gz HQTAUIJZDQHKMD-UHFFFAOYSA-N 1 3 343.475 1.479 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911664206 592973153 /nfs/dbraw/zinc/97/31/53/592973153.db2.gz JCFRWLQMKQKGJA-INIZCTEOSA-N 1 3 341.411 1.607 20 0 EDADHO N[C@@H](CC(=O)N1CCC[C@@H](C[NH3+])C1)Cc1cc(F)c(F)cc1F ZINC000911714089 592986181 /nfs/dbraw/zinc/98/61/81/592986181.db2.gz NPINYBJTMSMMMR-CMPLNLGQSA-N 1 3 329.366 1.561 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000911766053 593000408 /nfs/dbraw/zinc/00/04/08/593000408.db2.gz FEYHQGGHMBYFIB-QGZVFWFLSA-N 1 3 333.476 1.675 20 0 EDADHO N[C@H](CNC(=O)COc1ccc(CCC[NH3+])cc1)c1ccccc1 ZINC000911768084 593000862 /nfs/dbraw/zinc/00/08/62/593000862.db2.gz OLQMEERCBOAMPY-GOSISDBHSA-N 1 3 327.428 1.773 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)CC[C@@H](N)C(=O)N3)CC1 ZINC000911863331 593024063 /nfs/dbraw/zinc/02/40/63/593024063.db2.gz FJTUHOSFRGSXJC-MRXNPFEDSA-N 1 3 344.459 1.360 20 0 EDADHO C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCNCC2(C)C)cc1 ZINC000911848407 593025976 /nfs/dbraw/zinc/02/59/76/593025976.db2.gz VAIMVZGDROOHQP-YFHOEESVSA-N 1 3 331.460 1.851 20 0 EDADHO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C(F)(F)F ZINC000912302522 593084441 /nfs/dbraw/zinc/08/44/41/593084441.db2.gz DEZGAFDEMODELN-JTQLQIEISA-N 1 3 349.401 1.739 20 0 EDADHO Cc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C(F)(F)F ZINC000912302522 593084442 /nfs/dbraw/zinc/08/44/42/593084442.db2.gz DEZGAFDEMODELN-JTQLQIEISA-N 1 3 349.401 1.739 20 0 EDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817910671 593647856 /nfs/dbraw/zinc/64/78/56/593647856.db2.gz CXEYCVBLLQFKNN-OLZOCXBDSA-N 1 3 339.452 1.358 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167226 593676826 /nfs/dbraw/zinc/67/68/26/593676826.db2.gz RPDVWFKBHKJLAQ-DAYGRLMNSA-N 1 3 339.480 1.290 20 0 EDADHO C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821583503 593869125 /nfs/dbraw/zinc/86/91/25/593869125.db2.gz XWUGUMVRNHRMOF-MRXNPFEDSA-N 1 3 330.436 1.174 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820807077 593894314 /nfs/dbraw/zinc/89/43/14/593894314.db2.gz ZICXONPZDQOIQN-INIZCTEOSA-N 1 3 342.491 1.944 20 0 EDADHO Cc1nn(CC(F)F)cc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824817781 594079472 /nfs/dbraw/zinc/07/94/72/594079472.db2.gz AYXAUDVRTLJXGB-LBPRGKRZSA-N 1 3 345.438 1.458 20 0 EDADHO Cc1nn(CC(F)F)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824817781 594079474 /nfs/dbraw/zinc/07/94/74/594079474.db2.gz AYXAUDVRTLJXGB-LBPRGKRZSA-N 1 3 345.438 1.458 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000831217526 594583945 /nfs/dbraw/zinc/58/39/45/594583945.db2.gz ABXWKNWFUVLPOW-BXWFABGCSA-N 1 3 348.491 1.391 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054563 594722585 /nfs/dbraw/zinc/72/25/85/594722585.db2.gz ORPZKNOMKJBFHN-SJLPKXTDSA-N 1 3 335.423 1.095 20 0 EDADHO CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CNCCCO3)CC2)cc1 ZINC000841087241 594849032 /nfs/dbraw/zinc/84/90/32/594849032.db2.gz SAQINSSCODWILV-LJQANCHMSA-N 1 3 332.492 1.690 20 0 EDADHO CN(C)c1ccc(N2CCC(NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087241 594849033 /nfs/dbraw/zinc/84/90/33/594849033.db2.gz SAQINSSCODWILV-LJQANCHMSA-N 1 3 332.492 1.690 20 0 EDADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000841085604 594849108 /nfs/dbraw/zinc/84/91/08/594849108.db2.gz ILKRNKRQHRUAKG-MCIONIFRSA-N 1 3 334.407 1.712 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N1CCCCC1 ZINC000841726587 594944086 /nfs/dbraw/zinc/94/40/86/594944086.db2.gz SDDUOCLVGBXVEZ-HNNXBMFYSA-N 1 3 326.485 1.400 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841790282 594953511 /nfs/dbraw/zinc/95/35/11/594953511.db2.gz BNCFFYQQAKNNBS-SJORKVTESA-N 1 3 332.448 1.020 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846741 594964308 /nfs/dbraw/zinc/96/43/08/594964308.db2.gz MPLJXXKRFPNENP-XJKSGUPXSA-N 1 3 333.432 1.922 20 0 EDADHO C[C@@H]1CN(CCCCCCC[NH3+])CCN1c1nccn2cnnc12 ZINC000842476695 595115233 /nfs/dbraw/zinc/11/52/33/595115233.db2.gz SIRUGSPFCXFQIA-OAHLLOKOSA-N 1 3 331.468 1.544 20 0 EDADHO C[NH+]1CCC2(CC1)CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CCO2 ZINC000844095432 595271149 /nfs/dbraw/zinc/27/11/49/595271149.db2.gz WJDUIBBPOWPFQL-SFHVURJKSA-N 1 3 341.471 1.522 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844182679 595294540 /nfs/dbraw/zinc/29/45/40/595294540.db2.gz NNLQVFDVBWXYSU-GOSISDBHSA-N 1 3 349.475 1.054 20 0 EDADHO COC(=O)/C=C\c1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896254 595464152 /nfs/dbraw/zinc/46/41/52/595464152.db2.gz WJORGVZNZOGTID-YVACAVLKSA-N 1 3 347.459 1.724 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1c(C)cccc1C ZINC000849066386 595476868 /nfs/dbraw/zinc/47/68/68/595476868.db2.gz DPEMMTAOXIBPLX-IRXDYDNUSA-N 1 3 348.491 1.641 20 0 EDADHO COC[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849079000 595479155 /nfs/dbraw/zinc/47/91/55/595479155.db2.gz KLBCUMSKEAZAJV-KRWDZBQOSA-N 1 3 334.464 1.426 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCN2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486027 595548099 /nfs/dbraw/zinc/54/80/99/595548099.db2.gz DOMKBQWYWKPQQF-QZTJIDSGSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NCCN2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486027 595548101 /nfs/dbraw/zinc/54/81/01/595548101.db2.gz DOMKBQWYWKPQQF-QZTJIDSGSA-N 1 3 347.507 1.446 20 0 EDADHO CC[N@H+](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560796 /nfs/dbraw/zinc/56/07/96/595560796.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 1 3 335.496 1.302 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560799 /nfs/dbraw/zinc/56/07/99/595560799.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 1 3 335.496 1.302 20 0 EDADHO [NH3+]C[C@@H]1CC(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)=NO1 ZINC000852859190 595580871 /nfs/dbraw/zinc/58/08/71/595580871.db2.gz OKCMDIGFHZTQBB-DOTOQJQBSA-N 1 3 330.432 1.433 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)Cc1ccccc1 ZINC000852859074 595581162 /nfs/dbraw/zinc/58/11/62/595581162.db2.gz NUPUNHQCNDHECT-HZPDHXFCSA-N 1 3 332.448 1.159 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598340 595588216 /nfs/dbraw/zinc/58/82/16/595588216.db2.gz ZQBXXIKKNGSHFU-NJAFHUGGSA-N 1 3 349.523 1.548 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852872658 595591548 /nfs/dbraw/zinc/59/15/48/595591548.db2.gz PTHIEVNNKMFTJW-XJKSGUPXSA-N 1 3 346.431 1.449 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852872658 595591554 /nfs/dbraw/zinc/59/15/54/595591554.db2.gz PTHIEVNNKMFTJW-XJKSGUPXSA-N 1 3 346.431 1.449 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699995 596299347 /nfs/dbraw/zinc/29/93/47/596299347.db2.gz YIFLRPYPXONUOB-KRWDZBQOSA-N 1 3 332.492 1.479 20 0 EDADHO COc1ccccc1CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711742 596305244 /nfs/dbraw/zinc/30/52/44/596305244.db2.gz MSCDPWOZAWVOBI-NUJGCVRESA-N 1 3 345.443 1.495 20 0 EDADHO CCCn1cc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000865477136 596585780 /nfs/dbraw/zinc/58/57/80/596585780.db2.gz NCORKOAPXVRHBL-UHFFFAOYSA-N 1 3 334.512 1.728 20 0 EDADHO CCCn1cc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)nn1 ZINC000865477136 596585781 /nfs/dbraw/zinc/58/57/81/596585781.db2.gz NCORKOAPXVRHBL-UHFFFAOYSA-N 1 3 334.512 1.728 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCCc2ccsc2)CC1 ZINC000863549280 596614627 /nfs/dbraw/zinc/61/46/27/596614627.db2.gz GXQQWBMFIWRTJI-JKSUJKDBSA-N 1 3 335.473 1.938 20 0 EDADHO CC(=O)CCC(C)(C)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000870021074 596712055 /nfs/dbraw/zinc/71/20/55/596712055.db2.gz ZSTMXGJJEPWKJM-HZPDHXFCSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000868210077 596725417 /nfs/dbraw/zinc/72/54/17/596725417.db2.gz BGKYMLUCZINJBE-AWEZNQCLSA-N 1 3 348.495 1.339 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc3cnccc3c2)C1 ZINC000872257342 596857491 /nfs/dbraw/zinc/85/74/91/596857491.db2.gz PMHFZZPTKMROHK-OKZBNKHCSA-N 1 3 338.411 1.602 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970877 597052219 /nfs/dbraw/zinc/05/22/19/597052219.db2.gz IDRABBBZMUTWLF-CVEARBPZSA-N 1 3 339.484 1.209 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970877 597052223 /nfs/dbraw/zinc/05/22/23/597052223.db2.gz IDRABBBZMUTWLF-CVEARBPZSA-N 1 3 339.484 1.209 20 0 EDADHO Nc1cnc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000873213849 597229471 /nfs/dbraw/zinc/22/94/71/597229471.db2.gz RPAYCCYPURBXJZ-UHFFFAOYSA-N 1 3 326.448 1.142 20 0 EDADHO CCOC(=O)CC1([NH2+]Cc2cc3c(s2)CCNC3)CCOCC1 ZINC000873212094 597229858 /nfs/dbraw/zinc/22/98/58/597229858.db2.gz HQMPVTHTBQWZEE-UHFFFAOYSA-N 1 3 338.473 1.986 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000873248966 597240223 /nfs/dbraw/zinc/24/02/23/597240223.db2.gz JVVVPGKRXPHRJA-VBSBHUPXSA-N 1 3 347.503 1.538 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000876794709 597343030 /nfs/dbraw/zinc/34/30/30/597343030.db2.gz ZWQQVOIJFQFBNV-OAHLLOKOSA-N 1 3 340.431 1.409 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000876897141 597375488 /nfs/dbraw/zinc/37/54/88/597375488.db2.gz QBQYZMYKTPBQTB-FGTMMUONSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H](N)c1ccccc1 ZINC000877371438 597503780 /nfs/dbraw/zinc/50/37/80/597503780.db2.gz QNMDFXUCZSDGIG-PYJNHQTQSA-N 1 3 329.366 1.918 20 0 EDADHO COCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)CC1CCN(C)CC1 ZINC000877665121 597545915 /nfs/dbraw/zinc/54/59/15/597545915.db2.gz HXCPXENZWIMOBC-UHFFFAOYSA-N 1 3 349.475 1.341 20 0 EDADHO COCC[N@H+](Cc1ccc(OCC(N)=O)cc1)CC1CCN(C)CC1 ZINC000877665121 597545916 /nfs/dbraw/zinc/54/59/16/597545916.db2.gz HXCPXENZWIMOBC-UHFFFAOYSA-N 1 3 349.475 1.341 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447073 597602621 /nfs/dbraw/zinc/60/26/21/597602621.db2.gz KWTKTYXXTPSYGH-KSZLIROESA-N 1 3 342.524 1.769 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447073 597602622 /nfs/dbraw/zinc/60/26/22/597602622.db2.gz KWTKTYXXTPSYGH-KSZLIROESA-N 1 3 342.524 1.769 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2c3c(nn2C)CCSC3)CC1 ZINC000883043217 597629119 /nfs/dbraw/zinc/62/91/19/597629119.db2.gz AGZQTHKLCGCYHU-UHFFFAOYSA-N 1 3 338.521 1.534 20 0 EDADHO CCN1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300248 597705969 /nfs/dbraw/zinc/70/59/69/597705969.db2.gz RPJSUASKZVOWOB-UONOGXRCSA-N 1 3 331.526 1.557 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3CCC4(CCC4)O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000883433787 597744884 /nfs/dbraw/zinc/74/48/84/597744884.db2.gz YXDXLYMVTIMTIL-GVDBMIGSSA-N 1 3 348.491 1.308 20 0 EDADHO COCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884185643 598018503 /nfs/dbraw/zinc/01/85/03/598018503.db2.gz BPEWVAJXPLDDCU-SFHVURJKSA-N 1 3 333.476 1.899 20 0 EDADHO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCCCN1CCOCC1 ZINC000914099343 695097385 /nfs/dbraw/zinc/09/73/85/695097385.db2.gz ZKUZWOJXIKHQBU-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCCN1CCOCC1 ZINC000914099343 695097389 /nfs/dbraw/zinc/09/73/89/695097389.db2.gz ZKUZWOJXIKHQBU-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132649 696530347 /nfs/dbraw/zinc/53/03/47/696530347.db2.gz KHVQETZIZHCKGX-RDJZCZTQSA-N 1 3 325.497 1.722 20 0 EDADHO CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008696 700110724 /nfs/dbraw/zinc/11/07/24/700110724.db2.gz YNLCFFASENSMKQ-INIZCTEOSA-N 1 3 334.464 1.802 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000917897845 697099665 /nfs/dbraw/zinc/09/96/65/697099665.db2.gz DNJORLPJZFIJNQ-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000917897845 697099668 /nfs/dbraw/zinc/09/96/68/697099668.db2.gz DNJORLPJZFIJNQ-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(CC1CC[NH+](C[C@H](O)CN2CCCC2)CC1)NC1CCCC1 ZINC000920210987 697408237 /nfs/dbraw/zinc/40/82/37/697408237.db2.gz XOEUVSDQBNTOCJ-GOSISDBHSA-N 1 3 337.508 1.604 20 0 EDADHO CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673345 697479679 /nfs/dbraw/zinc/47/96/79/697479679.db2.gz GCMNWLNKKYPEED-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673345 697479681 /nfs/dbraw/zinc/47/96/81/697479681.db2.gz GCMNWLNKKYPEED-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@H](C)OC)C1 ZINC001032119266 699002205 /nfs/dbraw/zinc/00/22/05/699002205.db2.gz KQSCEAWFHYZHRO-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@H](C)OC)C1 ZINC001032119266 699002209 /nfs/dbraw/zinc/00/22/09/699002209.db2.gz KQSCEAWFHYZHRO-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054380 699114962 /nfs/dbraw/zinc/11/49/62/699114962.db2.gz IPSBAZKKTMGKAV-MLGOLLRUSA-N 1 3 336.505 1.730 20 0 EDADHO COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939210807 699358753 /nfs/dbraw/zinc/35/87/53/699358753.db2.gz PVAJWFGKBBSYIM-KBXCAEBGSA-N 1 3 342.443 1.640 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1CCC(C)(NCc2nccs2)CC1)C1CC1 ZINC000940148604 700281117 /nfs/dbraw/zinc/28/11/17/700281117.db2.gz ANUFQXLLWCTMHY-HNNXBMFYSA-N 1 3 336.505 1.954 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN(C)C3CCC3)CC2)nn1C ZINC000940154113 700284192 /nfs/dbraw/zinc/28/41/92/700284192.db2.gz QLOJUAJYPDSQFS-UHFFFAOYSA-N 1 3 347.507 1.684 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)C1CCC1 ZINC000940154459 700284831 /nfs/dbraw/zinc/28/48/31/700284831.db2.gz YFPSZDSGYYWJCR-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000940150587 700300296 /nfs/dbraw/zinc/30/02/96/700300296.db2.gz YQTWJZXACFDEHC-KRWDZBQOSA-N 1 3 345.491 1.596 20 0 EDADHO Cn1cc(CNC[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000995055724 700423229 /nfs/dbraw/zinc/42/32/29/700423229.db2.gz PQQROMBQIQFIPL-CABCVRRESA-N 1 3 348.495 1.064 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000940328344 700506284 /nfs/dbraw/zinc/50/62/84/700506284.db2.gz HJUQCTKHNNSZRA-OAHLLOKOSA-N 1 3 345.491 1.740 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC000940335117 700515481 /nfs/dbraw/zinc/51/54/81/700515481.db2.gz UHKFQCXXLVWZKC-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC000940427529 700621467 /nfs/dbraw/zinc/62/14/67/700621467.db2.gz IEHXAHVMTLFTED-UHFFFAOYSA-N 1 3 345.491 1.295 20 0 EDADHO Cn1ccc(CNC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081411 700711469 /nfs/dbraw/zinc/71/14/69/700711469.db2.gz UZRWMIKRAWYBAS-GOEBONIOSA-N 1 3 333.480 1.136 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2cccnc2)C1 ZINC000999171206 706601415 /nfs/dbraw/zinc/60/14/15/706601415.db2.gz URQFZXULABFZDJ-ROUUACIJSA-N 1 3 328.460 1.504 20 0 EDADHO O=C(CC1CCC1)N1CCN(C2C[NH+](CCC3CCCO3)C2)CC1 ZINC000941361405 701489382 /nfs/dbraw/zinc/48/93/82/701489382.db2.gz YTTHZAYZNGKEPT-SFHVURJKSA-N 1 3 335.492 1.574 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C(C)(C)C1)N(C)C ZINC000995944228 702288990 /nfs/dbraw/zinc/28/89/90/702288990.db2.gz AXSAKKPRJHBOQT-KURKYZTESA-N 1 3 347.503 1.887 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1)N(C)C ZINC000995944362 702290031 /nfs/dbraw/zinc/29/00/31/702290031.db2.gz BLASDXPXWRHBRP-CABCVRRESA-N 1 3 338.521 1.852 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)N(C)C ZINC000995946103 702292472 /nfs/dbraw/zinc/29/24/72/702292472.db2.gz GFADQNNRMFGCGH-CVEARBPZSA-N 1 3 348.491 1.052 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)N(C)C ZINC000995935775 702302594 /nfs/dbraw/zinc/30/25/94/702302594.db2.gz QBKHJOIKLFKVGS-SJORKVTESA-N 1 3 339.524 1.826 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996560968 702874681 /nfs/dbraw/zinc/87/46/81/702874681.db2.gz MALCYZCMLCIIFH-MRXNPFEDSA-N 1 3 348.516 1.874 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC000996662738 702960482 /nfs/dbraw/zinc/96/04/82/702960482.db2.gz PRGVNWJHVLDSJS-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2CC)CC1 ZINC000996662738 702960483 /nfs/dbraw/zinc/96/04/83/702960483.db2.gz PRGVNWJHVLDSJS-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000996771725 703061807 /nfs/dbraw/zinc/06/18/07/703061807.db2.gz SFDDSZUKELLQJJ-UHFFFAOYSA-N 1 3 332.448 1.692 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)n1 ZINC000996965228 703225734 /nfs/dbraw/zinc/22/57/34/703225734.db2.gz NKUQSHDCMPLJSZ-GOSISDBHSA-N 1 3 349.523 1.667 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000996995228 703252237 /nfs/dbraw/zinc/25/22/37/703252237.db2.gz MPBPWDXACNWGBU-HNNXBMFYSA-N 1 3 346.475 1.655 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997005422 703262822 /nfs/dbraw/zinc/26/28/22/703262822.db2.gz IJNAAQIQRMIFDY-CQSZACIVSA-N 1 3 348.491 1.968 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000997007101 703264413 /nfs/dbraw/zinc/26/44/13/703264413.db2.gz OKLJJTWSJXXLPB-CQSZACIVSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000997007101 703264414 /nfs/dbraw/zinc/26/44/14/703264414.db2.gz OKLJJTWSJXXLPB-CQSZACIVSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000997306227 703565036 /nfs/dbraw/zinc/56/50/36/703565036.db2.gz APOJLTVBLUTVMJ-UHFFFAOYSA-N 1 3 333.480 1.176 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000997306629 703565247 /nfs/dbraw/zinc/56/52/47/703565247.db2.gz GZIILWRMZMDNIV-GOSISDBHSA-N 1 3 349.450 1.536 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1)C12CCC[NH+](CCC1)C2 ZINC001032472466 703685732 /nfs/dbraw/zinc/68/57/32/703685732.db2.gz UNPCAMTXULVXJS-BZSNNMDCSA-N 1 3 347.503 1.717 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001033093142 704170046 /nfs/dbraw/zinc/17/00/46/704170046.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 1 3 345.487 1.552 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CO)cc3)C2)CC[N@H+]1C ZINC001033093142 704170047 /nfs/dbraw/zinc/17/00/47/704170047.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 1 3 345.487 1.552 20 0 EDADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294299 /nfs/dbraw/zinc/29/42/99/704294299.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 1 3 349.519 1.676 20 0 EDADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294300 /nfs/dbraw/zinc/29/43/00/704294300.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 1 3 349.519 1.676 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298835 /nfs/dbraw/zinc/29/88/35/704298835.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 1 3 335.492 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298838 /nfs/dbraw/zinc/29/88/38/704298838.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 1 3 335.492 1.430 20 0 EDADHO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)o1 ZINC000997829849 704748435 /nfs/dbraw/zinc/74/84/35/704748435.db2.gz DFVIZEBRZKUVFY-SFHVURJKSA-N 1 3 348.491 1.960 20 0 EDADHO C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)O1 ZINC000997830302 704749131 /nfs/dbraw/zinc/74/91/31/704749131.db2.gz HNLNCVYCFFLPIO-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998077303 705297186 /nfs/dbraw/zinc/29/71/86/705297186.db2.gz DGBZJGQBEQFHGD-BBRMVZONSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998077303 705297190 /nfs/dbraw/zinc/29/71/90/705297190.db2.gz DGBZJGQBEQFHGD-BBRMVZONSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000998082665 705309873 /nfs/dbraw/zinc/30/98/73/705309873.db2.gz RZSQDPXWOGDKQJ-HNNXBMFYSA-N 1 3 345.491 1.598 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083139 705312018 /nfs/dbraw/zinc/31/20/18/705312018.db2.gz VNOASFTZZHNEHR-WBVHZDCISA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083139 705312023 /nfs/dbraw/zinc/31/20/23/705312023.db2.gz VNOASFTZZHNEHR-WBVHZDCISA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998264517 705630752 /nfs/dbraw/zinc/63/07/52/705630752.db2.gz FLKJAUJNJILJCF-INIZCTEOSA-N 1 3 333.480 1.183 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998264517 705630754 /nfs/dbraw/zinc/63/07/54/705630754.db2.gz FLKJAUJNJILJCF-INIZCTEOSA-N 1 3 333.480 1.183 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288431 705684463 /nfs/dbraw/zinc/68/44/63/705684463.db2.gz VLTIUQJZSNBMBL-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1 ZINC000998295219 705696752 /nfs/dbraw/zinc/69/67/52/705696752.db2.gz LNOWPXDSVVQWSM-STQMWFEESA-N 1 3 330.354 1.731 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998779401 706220797 /nfs/dbraw/zinc/22/07/97/706220797.db2.gz BYJZONYZBJAWMR-DAWZGUTISA-N 1 3 343.475 1.206 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519435 /nfs/dbraw/zinc/51/94/35/706519435.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519437 /nfs/dbraw/zinc/51/94/37/706519437.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 1 3 349.519 1.820 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143933 706557697 /nfs/dbraw/zinc/55/76/97/706557697.db2.gz RHMQUCAQAMQTPL-ZCYBBYNQSA-N 1 3 347.503 1.619 20 0 EDADHO Cc1cnc([C@H](C)NC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999342604 706854592 /nfs/dbraw/zinc/85/45/92/706854592.db2.gz KTVJYCCSSNJLFY-OOHWJJMZSA-N 1 3 345.491 1.767 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999345298 706856641 /nfs/dbraw/zinc/85/66/41/706856641.db2.gz ZJNOUKYESQWRHW-UHFFFAOYSA-N 1 3 346.475 1.511 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374995 706869124 /nfs/dbraw/zinc/86/91/24/706869124.db2.gz SRGUWVXURFEWHA-RBUKOAKNSA-N 1 3 345.487 1.600 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)C1CCC1 ZINC000999372411 706887072 /nfs/dbraw/zinc/88/70/72/706887072.db2.gz BFZFOFKIGWQCNF-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999407038 706916755 /nfs/dbraw/zinc/91/67/55/706916755.db2.gz CHAQKVMIGVUEEO-UHFFFAOYSA-N 1 3 347.507 1.274 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)n1 ZINC000999431240 706938488 /nfs/dbraw/zinc/93/84/88/706938488.db2.gz BYIORAQRPQTDEG-MSOLQXFVSA-N 1 3 349.523 1.667 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1)N(C)C ZINC000999431794 706939490 /nfs/dbraw/zinc/93/94/90/706939490.db2.gz FEEWOQGSOZQHRY-OTWHNJEPSA-N 1 3 347.503 1.887 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC000999600723 707102719 /nfs/dbraw/zinc/10/27/19/707102719.db2.gz DNQSESWOYIJPNN-WWDZGPRUSA-N 1 3 337.508 1.724 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cn1 ZINC000999832668 707464019 /nfs/dbraw/zinc/46/40/19/707464019.db2.gz GRQIMBGDCVERPD-UHFFFAOYSA-N 1 3 333.480 1.120 20 0 EDADHO Cc1ncsc1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042811 708533294 /nfs/dbraw/zinc/53/32/94/708533294.db2.gz JULZCHLDKMPICS-UHFFFAOYSA-N 1 3 348.516 1.876 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCn2cccn2)CC1 ZINC001002157604 708672043 /nfs/dbraw/zinc/67/20/43/708672043.db2.gz KSKPKIPDRBXPCI-GOSISDBHSA-N 1 3 347.507 1.586 20 0 EDADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033830615 708852086 /nfs/dbraw/zinc/85/20/86/708852086.db2.gz LNAFBUPAMNVVJJ-QZTJIDSGSA-N 1 3 345.491 1.148 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033833883 708860070 /nfs/dbraw/zinc/86/00/70/708860070.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033833883 708860072 /nfs/dbraw/zinc/86/00/72/708860072.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CCOC)C1 ZINC001033855273 708917398 /nfs/dbraw/zinc/91/73/98/708917398.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CCOC)C1 ZINC001033855273 708917402 /nfs/dbraw/zinc/91/74/02/708917402.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CCCO)C2)C1 ZINC001033932058 709099099 /nfs/dbraw/zinc/09/90/99/709099099.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 1 3 325.497 1.414 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CCCO)C2)C1 ZINC001033932058 709099102 /nfs/dbraw/zinc/09/91/02/709099102.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 1 3 325.497 1.414 20 0 EDADHO O=C(NC1CCN(Cc2ccsc2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002873357 709493915 /nfs/dbraw/zinc/49/39/15/709493915.db2.gz BFAZWPJSCZALJY-DLBZAZTESA-N 1 3 349.500 1.692 20 0 EDADHO O=C(NC1CCN(Cc2ccsc2)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002873357 709493916 /nfs/dbraw/zinc/49/39/16/709493916.db2.gz BFAZWPJSCZALJY-DLBZAZTESA-N 1 3 349.500 1.692 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)CC1 ZINC001034387423 709916870 /nfs/dbraw/zinc/91/68/70/709916870.db2.gz YQYZMSDMXBAIJP-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003230877 710152227 /nfs/dbraw/zinc/15/22/27/710152227.db2.gz SJUYCVVIHUXHBD-GOSISDBHSA-N 1 3 347.507 1.584 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003230877 710152230 /nfs/dbraw/zinc/15/22/30/710152230.db2.gz SJUYCVVIHUXHBD-GOSISDBHSA-N 1 3 347.507 1.584 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526026 710177779 /nfs/dbraw/zinc/17/77/79/710177779.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 1 3 345.487 1.988 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCCN(CCOc3ccccc3)C2)C1 ZINC001034526026 710177782 /nfs/dbraw/zinc/17/77/82/710177782.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 1 3 345.487 1.988 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646819 710323122 /nfs/dbraw/zinc/32/31/22/710323122.db2.gz WTUKHODBBSXMSC-ULQDDVLXSA-N 1 3 348.495 1.168 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001003628467 710458041 /nfs/dbraw/zinc/45/80/41/710458041.db2.gz QFMLMSBOVNANAW-QGZVFWFLSA-N 1 3 329.460 1.162 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632802 710461381 /nfs/dbraw/zinc/46/13/81/710461381.db2.gz CIXQUAKKURLQFE-YJBOKZPZSA-N 1 3 347.507 1.224 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632802 710461383 /nfs/dbraw/zinc/46/13/83/710461383.db2.gz CIXQUAKKURLQFE-YJBOKZPZSA-N 1 3 347.507 1.224 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034734957 710917741 /nfs/dbraw/zinc/91/77/41/710917741.db2.gz CMEDUOFPPCXHCQ-JYJNAYRXSA-N 1 3 333.480 1.421 20 0 EDADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791481 711116440 /nfs/dbraw/zinc/11/64/40/711116440.db2.gz MFUSPIKDMJGWGT-KKUMJFAQSA-N 1 3 336.505 1.920 20 0 EDADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791481 711116442 /nfs/dbraw/zinc/11/64/42/711116442.db2.gz MFUSPIKDMJGWGT-KKUMJFAQSA-N 1 3 336.505 1.920 20 0 EDADHO Cc1nnsc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792129 711118300 /nfs/dbraw/zinc/11/83/00/711118300.db2.gz FSFNNFBBNZZEDK-MGPQQGTHSA-N 1 3 337.493 1.315 20 0 EDADHO Cc1nnsc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034792129 711118304 /nfs/dbraw/zinc/11/83/04/711118304.db2.gz FSFNNFBBNZZEDK-MGPQQGTHSA-N 1 3 337.493 1.315 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387804 711427837 /nfs/dbraw/zinc/42/78/37/711427837.db2.gz BAVGCSGFPHEBAJ-LNCBFAARSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387804 711427841 /nfs/dbraw/zinc/42/78/41/711427841.db2.gz BAVGCSGFPHEBAJ-LNCBFAARSA-N 1 3 342.434 1.927 20 0 EDADHO Cc1cccnc1CNC[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034958140 711431232 /nfs/dbraw/zinc/43/12/32/711431232.db2.gz BHYJZPAVPFRGGB-AEFFLSMTSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004142917 711542910 /nfs/dbraw/zinc/54/29/10/711542910.db2.gz KVWBPSYUAXRIRL-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(C)c(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004142917 711542912 /nfs/dbraw/zinc/54/29/12/711542912.db2.gz KVWBPSYUAXRIRL-AWEZNQCLSA-N 1 3 336.505 1.792 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000173945624 231077778 /nfs/dbraw/zinc/07/77/78/231077778.db2.gz VNILBGFCLGFJFB-GOOCMWNKSA-N 1 3 334.468 1.582 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000173945624 231077781 /nfs/dbraw/zinc/07/77/81/231077781.db2.gz VNILBGFCLGFJFB-GOOCMWNKSA-N 1 3 334.468 1.582 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO)c1ccccc1 ZINC000493710560 282238523 /nfs/dbraw/zinc/23/85/23/282238523.db2.gz SMDZKEPBMHPQGD-ZHALLVOQSA-N 1 3 333.476 1.546 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC000412848941 304041100 /nfs/dbraw/zinc/04/11/00/304041100.db2.gz SRHVHQJTMKUSBJ-KRWDZBQOSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC000412848941 304041102 /nfs/dbraw/zinc/04/11/02/304041102.db2.gz SRHVHQJTMKUSBJ-KRWDZBQOSA-N 1 3 330.476 1.653 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000563454390 306334487 /nfs/dbraw/zinc/33/44/87/306334487.db2.gz QWFBANVAHXCUMZ-KURKYZTESA-N 1 3 328.460 1.512 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000360171052 283165748 /nfs/dbraw/zinc/16/57/48/283165748.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000360171052 283165749 /nfs/dbraw/zinc/16/57/49/283165749.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211463 /nfs/dbraw/zinc/21/14/63/138211463.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 1 3 332.448 1.998 20 0 EDADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211465 /nfs/dbraw/zinc/21/14/65/138211465.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 1 3 332.448 1.998 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN)c2ccccc2)[C@@H](C)C1 ZINC000564089293 306355637 /nfs/dbraw/zinc/35/56/37/306355637.db2.gz GSIBREFFBZKYSN-UHOSZYNNSA-N 1 3 347.503 1.982 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](CN)c2ccccc2)[C@@H](C)C1 ZINC000564089293 306355638 /nfs/dbraw/zinc/35/56/38/306355638.db2.gz GSIBREFFBZKYSN-UHOSZYNNSA-N 1 3 347.503 1.982 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842704 304080191 /nfs/dbraw/zinc/08/01/91/304080191.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 1 3 349.523 1.033 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842704 304080192 /nfs/dbraw/zinc/08/01/92/304080192.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 1 3 349.523 1.033 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565420700 306383560 /nfs/dbraw/zinc/38/35/60/306383560.db2.gz NCVUVZBAUQIKQK-SJORKVTESA-N 1 3 338.540 1.638 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414694728 304128307 /nfs/dbraw/zinc/12/83/07/304128307.db2.gz DQYUXWFYXACKFU-AWEZNQCLSA-N 1 3 344.459 1.261 20 0 EDADHO COc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695622 304128382 /nfs/dbraw/zinc/12/83/82/304128382.db2.gz PGGPZAMRASXIKR-RDJZCZTQSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)cc1 ZINC000414695622 304128383 /nfs/dbraw/zinc/12/83/83/304128383.db2.gz PGGPZAMRASXIKR-RDJZCZTQSA-N 1 3 331.460 1.682 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414709701 304131166 /nfs/dbraw/zinc/13/11/66/304131166.db2.gz RPHVXGFDBCUDQJ-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353810956 296109574 /nfs/dbraw/zinc/10/95/74/296109574.db2.gz MLZZRCDWEQEFDL-SJLPKXTDSA-N 1 3 335.492 1.478 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414747037 304136659 /nfs/dbraw/zinc/13/66/59/304136659.db2.gz GQAUWCMUCDMUOQ-BBRMVZONSA-N 1 3 334.464 1.737 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000414797025 304141709 /nfs/dbraw/zinc/14/17/09/304141709.db2.gz WCAODFOAVOQZIR-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423176104 296123766 /nfs/dbraw/zinc/12/37/66/296123766.db2.gz GCQBWQPAKYWOHZ-CYBMUJFWSA-N 1 3 343.468 1.175 20 0 EDADHO COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H](C)N)CC2)cc1 ZINC000414818110 304144443 /nfs/dbraw/zinc/14/44/43/304144443.db2.gz CTGBJORSCFHKDN-ZDUSSCGKSA-N 1 3 341.477 1.175 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000414844640 304147230 /nfs/dbraw/zinc/14/72/30/304147230.db2.gz QAGLLXOXMIMPFX-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414997266 304149132 /nfs/dbraw/zinc/14/91/32/304149132.db2.gz PNDHDAPEMMLFOW-WMLDXEAASA-N 1 3 346.475 1.881 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414996946 304149386 /nfs/dbraw/zinc/14/93/86/304149386.db2.gz PAVUMCSTFKNSNU-QGZVFWFLSA-N 1 3 344.459 1.465 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414996946 304149387 /nfs/dbraw/zinc/14/93/87/304149387.db2.gz PAVUMCSTFKNSNU-QGZVFWFLSA-N 1 3 344.459 1.465 20 0 EDADHO CN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988368 203277421 /nfs/dbraw/zinc/27/74/21/203277421.db2.gz GYVJMCJVJSPPML-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO CN(C(=O)c1ccc(CN2CCN(C)CC2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988368 203277425 /nfs/dbraw/zinc/27/74/25/203277425.db2.gz GYVJMCJVJSPPML-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO CCCN1CCN(c2ccccc2CNC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415041695 304153762 /nfs/dbraw/zinc/15/37/62/304153762.db2.gz PSEMISZSYNPEIA-IBGZPJMESA-N 1 3 346.519 1.687 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000415078111 304158126 /nfs/dbraw/zinc/15/81/26/304158126.db2.gz IIOKOBZASGIHIT-UHFFFAOYSA-N 1 3 348.491 1.781 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415131899 304162452 /nfs/dbraw/zinc/16/24/52/304162452.db2.gz SQKDZZSSOIMABY-AWEZNQCLSA-N 1 3 344.459 1.071 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415131899 304162455 /nfs/dbraw/zinc/16/24/55/304162455.db2.gz SQKDZZSSOIMABY-AWEZNQCLSA-N 1 3 344.459 1.071 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000195140571 139007742 /nfs/dbraw/zinc/00/77/42/139007742.db2.gz OGGJKZSYQZQROH-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CCC[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000236951203 139036151 /nfs/dbraw/zinc/03/61/51/139036151.db2.gz MYVZAILEDZYBBA-KRWDZBQOSA-N 1 3 334.464 1.379 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)CC1 ZINC000236954454 139036358 /nfs/dbraw/zinc/03/63/58/139036358.db2.gz MTZCAVQQONKULH-UHFFFAOYSA-N 1 3 344.503 1.440 20 0 EDADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600726 205153988 /nfs/dbraw/zinc/15/39/88/205153988.db2.gz QUPNLXVJOWRPCH-INIZCTEOSA-N 1 3 343.479 1.341 20 0 EDADHO CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415193734 304173492 /nfs/dbraw/zinc/17/34/92/304173492.db2.gz MPNGSVUVGXPXHW-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866160 220214888 /nfs/dbraw/zinc/21/48/88/220214888.db2.gz QFLJQQARJCOYCK-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000247326123 139145101 /nfs/dbraw/zinc/14/51/01/139145101.db2.gz UEUVMSSKIZZBIC-FUHWJXTLSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000247326123 139145102 /nfs/dbraw/zinc/14/51/02/139145102.db2.gz UEUVMSSKIZZBIC-FUHWJXTLSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000248855771 139177826 /nfs/dbraw/zinc/17/78/26/139177826.db2.gz PGUPJLIPTGEWFL-SUMDDJOVSA-N 1 3 348.491 1.119 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261615731 139211412 /nfs/dbraw/zinc/21/14/12/139211412.db2.gz BSSRRVHYOBWROF-SFHVURJKSA-N 1 3 349.475 1.040 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000261643871 139213849 /nfs/dbraw/zinc/21/38/49/139213849.db2.gz DXTRNYXPFGFCAW-ZWKOTPCHSA-N 1 3 344.503 1.703 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245474 139263252 /nfs/dbraw/zinc/26/32/52/139263252.db2.gz PLQYHJUQIYSECI-HLIPFELVSA-N 1 3 349.519 1.853 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417087856 251140673 /nfs/dbraw/zinc/14/06/73/251140673.db2.gz IFXJRAKMKWOLPP-HNNXBMFYSA-N 1 3 328.501 1.502 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417204075 251146171 /nfs/dbraw/zinc/14/61/71/251146171.db2.gz ZRFSTDLGTCGSGH-SQNIBIBYSA-N 1 3 332.492 1.976 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000175710124 207152391 /nfs/dbraw/zinc/15/23/91/207152391.db2.gz KEWJZEDYXISXFV-SFHVURJKSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000175710124 207152393 /nfs/dbraw/zinc/15/23/93/207152393.db2.gz KEWJZEDYXISXFV-SFHVURJKSA-N 1 3 330.476 1.653 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417674582 251224302 /nfs/dbraw/zinc/22/43/02/251224302.db2.gz ZVSUKLXEFGPTQI-OTWHNJEPSA-N 1 3 342.487 1.902 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000417847060 251295122 /nfs/dbraw/zinc/29/51/22/251295122.db2.gz YYQCTVYNXGIZGT-GOEBONIOSA-N 1 3 342.447 1.022 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873601 251308899 /nfs/dbraw/zinc/30/88/99/251308899.db2.gz LZWSMNCOVKIKHI-MAUKXSAKSA-N 1 3 330.476 1.682 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418077397 251320244 /nfs/dbraw/zinc/32/02/44/251320244.db2.gz STOKOINEXUEOHL-YQQAZPJKSA-N 1 3 334.464 1.312 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111281 251326736 /nfs/dbraw/zinc/32/67/36/251326736.db2.gz GRLPPHNJZPWCMR-NVXWUHKLSA-N 1 3 340.512 1.694 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418424574 251366387 /nfs/dbraw/zinc/36/63/87/251366387.db2.gz GWGLFKMYRIKAKC-ZWKOTPCHSA-N 1 3 348.491 1.829 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633337 139291680 /nfs/dbraw/zinc/29/16/80/139291680.db2.gz GIGKMHIFHQIPKS-LPHOPBHVSA-N 1 3 344.503 1.568 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000262651600 139293180 /nfs/dbraw/zinc/29/31/80/139293180.db2.gz RELKWSREVDZEIW-RTBURBONSA-N 1 3 344.503 1.438 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262662197 139294273 /nfs/dbraw/zinc/29/42/73/139294273.db2.gz YVKMPZBJPZXMMU-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262665439 139294648 /nfs/dbraw/zinc/29/46/48/139294648.db2.gz JQWBDHQJBFHYTR-APWZRJJASA-N 1 3 345.487 1.893 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000262881008 139310153 /nfs/dbraw/zinc/31/01/53/139310153.db2.gz VZMTVMQYZRRTQJ-AEFFLSMTSA-N 1 3 330.476 1.313 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccnc2N(C)C)CC[NH2+]CC1 ZINC000422871128 252006964 /nfs/dbraw/zinc/00/69/64/252006964.db2.gz ZVMMTPRQDFHBMT-AWEZNQCLSA-N 1 3 334.464 1.559 20 0 EDADHO CC[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422911109 252020252 /nfs/dbraw/zinc/02/02/52/252020252.db2.gz SFLIFXVBKJOCFM-RTBURBONSA-N 1 3 346.519 1.988 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000423789998 252076081 /nfs/dbraw/zinc/07/60/81/252076081.db2.gz UCZHFPWLFSDBHH-MQVJKMGUSA-N 1 3 329.444 1.810 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444639 252234540 /nfs/dbraw/zinc/23/45/40/252234540.db2.gz DBNLYRUQXBIAIR-MRXNPFEDSA-N 1 3 332.448 1.335 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856802 285024389 /nfs/dbraw/zinc/02/43/89/285024389.db2.gz UTFHJPQOJCYHFU-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000111865226 285033562 /nfs/dbraw/zinc/03/35/62/285033562.db2.gz XQYITSVQCJJQCX-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCC2)CC1 ZINC000111865226 285033564 /nfs/dbraw/zinc/03/35/64/285033564.db2.gz XQYITSVQCJJQCX-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000491641507 255136446 /nfs/dbraw/zinc/13/64/46/255136446.db2.gz KJWHILKWENEGNF-POHAHGRESA-N 1 3 344.503 1.428 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000492593313 255181838 /nfs/dbraw/zinc/18/18/38/255181838.db2.gz KEJIAXKLUGBMHA-TWVNLXSWSA-N 1 3 331.460 1.377 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000492593313 255181839 /nfs/dbraw/zinc/18/18/39/255181839.db2.gz KEJIAXKLUGBMHA-TWVNLXSWSA-N 1 3 331.460 1.377 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNCC(F)(F)F ZINC000353730073 285276532 /nfs/dbraw/zinc/27/65/32/285276532.db2.gz OZBHRWUSIWRAGJ-ZDUSSCGKSA-N 1 3 338.418 1.013 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNCC(F)(F)F ZINC000353730073 285276533 /nfs/dbraw/zinc/27/65/33/285276533.db2.gz OZBHRWUSIWRAGJ-ZDUSSCGKSA-N 1 3 338.418 1.013 20 0 EDADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](c1ccccc1)N(C)C ZINC000570823934 306551660 /nfs/dbraw/zinc/55/16/60/306551660.db2.gz NZAMKSPOWHTWDG-YJBOKZPZSA-N 1 3 343.475 1.866 20 0 EDADHO CNCc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000415923636 304285626 /nfs/dbraw/zinc/28/56/26/304285626.db2.gz WVPGGAWBTDLIDN-KRWDZBQOSA-N 1 3 334.464 1.764 20 0 EDADHO CNCc1cccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000415923636 304285628 /nfs/dbraw/zinc/28/56/28/304285628.db2.gz WVPGGAWBTDLIDN-KRWDZBQOSA-N 1 3 334.464 1.764 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416140190 304291096 /nfs/dbraw/zinc/29/10/96/304291096.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 1 3 333.476 1.519 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)CCN1CCc2ccccc2C1 ZINC000416140190 304291098 /nfs/dbraw/zinc/29/10/98/304291098.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 1 3 333.476 1.519 20 0 EDADHO O=C(CN1CCC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Nc1ccccc1 ZINC000571431197 306565680 /nfs/dbraw/zinc/56/56/80/306565680.db2.gz BHOJCMQGHNBUGZ-DFNIBXOVSA-N 1 3 342.487 1.962 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@H]2C1 ZINC000416237847 304298947 /nfs/dbraw/zinc/29/89/47/304298947.db2.gz CTWXWXKEVVKMFB-BZSNNMDCSA-N 1 3 331.460 1.611 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000416244435 304300143 /nfs/dbraw/zinc/30/01/43/304300143.db2.gz VVKNUVPMBCEMEJ-QZTJIDSGSA-N 1 3 333.476 1.642 20 0 EDADHO CCO[C@H](CCN(C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810309 140354360 /nfs/dbraw/zinc/35/43/60/140354360.db2.gz NASQBDORJZNMMZ-HZPDHXFCSA-N 1 3 342.505 1.795 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810309 140354362 /nfs/dbraw/zinc/35/43/62/140354362.db2.gz NASQBDORJZNMMZ-HZPDHXFCSA-N 1 3 342.505 1.795 20 0 EDADHO CN1CCN(CCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1(C)C ZINC000333110678 141265787 /nfs/dbraw/zinc/26/57/87/141265787.db2.gz SAEODDFRWDOEOM-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000333448053 141318568 /nfs/dbraw/zinc/31/85/68/141318568.db2.gz XCMXGFXCNNMHGM-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333672672 141354212 /nfs/dbraw/zinc/35/42/12/141354212.db2.gz NKPIRGZKBRLSMR-DOTOQJQBSA-N 1 3 338.496 1.128 20 0 EDADHO C[C@H](CC1CCOCC1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345165249 143060158 /nfs/dbraw/zinc/06/01/58/143060158.db2.gz MJQGLMONYZISHE-MRXNPFEDSA-N 1 3 339.524 1.829 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347301253 143305583 /nfs/dbraw/zinc/30/55/83/143305583.db2.gz MATAALJLVVGSOV-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCN(C2CC2)C1 ZINC000347883136 143374550 /nfs/dbraw/zinc/37/45/50/143374550.db2.gz BWVFUTUMTWLYJJ-INIZCTEOSA-N 1 3 331.460 1.936 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc2c1CCNC2 ZINC000573090441 306611469 /nfs/dbraw/zinc/61/14/69/306611469.db2.gz IGDBZFDPQVFZFI-HNNXBMFYSA-N 1 3 334.464 1.547 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416842816 304351022 /nfs/dbraw/zinc/35/10/22/304351022.db2.gz KEEZEWNBBSYCKR-CRAIPNDOSA-N 1 3 348.491 1.987 20 0 EDADHO COC[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846834 304351755 /nfs/dbraw/zinc/35/17/55/304351755.db2.gz UQDJZNNAWPFWCH-HKUYNNGSSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353087010 149280216 /nfs/dbraw/zinc/28/02/16/149280216.db2.gz LYNLBEBHVGFGCJ-INIZCTEOSA-N 1 3 348.491 1.911 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416963669 304356061 /nfs/dbraw/zinc/35/60/61/304356061.db2.gz BJZGQLCXBZBJTF-MRXNPFEDSA-N 1 3 334.464 1.378 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416969985 304357552 /nfs/dbraw/zinc/35/75/52/304357552.db2.gz MJDYIBIBSUSRPP-QGZVFWFLSA-N 1 3 348.491 1.897 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC1CCN(c2nccs2)CC1 ZINC000641769885 452244052 /nfs/dbraw/zinc/24/40/52/452244052.db2.gz FOFFUPDPEHHKKJ-OAHLLOKOSA-N 1 3 326.510 1.794 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000355333692 150221954 /nfs/dbraw/zinc/22/19/54/150221954.db2.gz CKBHLRMKVYUNOA-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417027656 304362236 /nfs/dbraw/zinc/36/22/36/304362236.db2.gz UFCLGFGQBKSMLV-SFHVURJKSA-N 1 3 347.507 1.231 20 0 EDADHO C[NH2+]CCCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417032794 304363239 /nfs/dbraw/zinc/36/32/39/304363239.db2.gz YPBHZTYUEOKMJH-UHFFFAOYSA-N 1 3 347.507 1.103 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000358049397 151247447 /nfs/dbraw/zinc/24/74/47/151247447.db2.gz RSAFAZAGGHLQHR-DNVCBOLYSA-N 1 3 344.503 1.550 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358315690 151334373 /nfs/dbraw/zinc/33/43/73/151334373.db2.gz QMEJKIXSOUQOHP-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358315690 151334374 /nfs/dbraw/zinc/33/43/74/151334374.db2.gz QMEJKIXSOUQOHP-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358317083 151335588 /nfs/dbraw/zinc/33/55/88/151335588.db2.gz KDUNTFBDPYSWGW-UAGQMJEPSA-N 1 3 325.497 1.601 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000360737850 152178422 /nfs/dbraw/zinc/17/84/22/152178422.db2.gz NNMLNZQSMCMMGN-GOEBONIOSA-N 1 3 328.526 1.407 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000360737850 152178425 /nfs/dbraw/zinc/17/84/25/152178425.db2.gz NNMLNZQSMCMMGN-GOEBONIOSA-N 1 3 328.526 1.407 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723960 286305176 /nfs/dbraw/zinc/30/51/76/286305176.db2.gz DPHNXADYWUUESM-VQIMIIECSA-N 1 3 337.508 1.853 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360789600 152206061 /nfs/dbraw/zinc/20/60/61/152206061.db2.gz VWMJDAMOSNQRIE-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360789600 152206063 /nfs/dbraw/zinc/20/60/63/152206063.db2.gz VWMJDAMOSNQRIE-MRXNPFEDSA-N 1 3 342.528 1.859 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365820 /nfs/dbraw/zinc/36/58/20/152365820.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 1 3 327.513 1.435 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365822 /nfs/dbraw/zinc/36/58/22/152365822.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 1 3 327.513 1.435 20 0 EDADHO CCCN(C(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@@H]1CC[NH2+]C1 ZINC000417178419 304380982 /nfs/dbraw/zinc/38/09/82/304380982.db2.gz DPFHQENSUZTUEZ-QZTJIDSGSA-N 1 3 332.492 1.943 20 0 EDADHO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2CN)N2CCOCC2)cc1 ZINC000422770320 286373139 /nfs/dbraw/zinc/37/31/39/286373139.db2.gz WBHLNXJXSHIVIH-UHOSZYNNSA-N 1 3 333.476 1.786 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCCN(CC[NH+](C)C)CC2)c1 ZINC000369026782 154830983 /nfs/dbraw/zinc/83/09/83/154830983.db2.gz LBARYENFBFEYNG-UHFFFAOYSA-N 1 3 347.507 1.849 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1OCCN(C)C ZINC000417358605 304394900 /nfs/dbraw/zinc/39/49/00/304394900.db2.gz HSNKVELPEIBTBU-GOEBONIOSA-N 1 3 334.464 1.424 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000371730340 156079718 /nfs/dbraw/zinc/07/97/18/156079718.db2.gz RLAISIQMDOJKEG-KRWDZBQOSA-N 1 3 347.507 1.831 20 0 EDADHO Cc1nccn1CCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372428008 156384507 /nfs/dbraw/zinc/38/45/07/156384507.db2.gz LCPXROIYZPDMLI-PKOBYXMFSA-N 1 3 333.524 1.930 20 0 EDADHO Cc1nccn1CCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372428008 156384513 /nfs/dbraw/zinc/38/45/13/156384513.db2.gz LCPXROIYZPDMLI-PKOBYXMFSA-N 1 3 333.524 1.930 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000417529741 304403575 /nfs/dbraw/zinc/40/35/75/304403575.db2.gz RIAQORLWUQSLBK-KRWDZBQOSA-N 1 3 348.491 1.468 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932584 158032567 /nfs/dbraw/zinc/03/25/67/158032567.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 1 3 329.460 1.426 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932584 158032568 /nfs/dbraw/zinc/03/25/68/158032568.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 1 3 329.460 1.426 20 0 EDADHO CN1CCN(C2(CNC(=O)C3CC[NH2+]CC3)CCCCCC2)CC1 ZINC000378199592 158106522 /nfs/dbraw/zinc/10/65/22/158106522.db2.gz AOSCGVOAXXFWPZ-UHFFFAOYSA-N 1 3 336.524 1.443 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074493817 287271164 /nfs/dbraw/zinc/27/11/64/287271164.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000074493817 287271168 /nfs/dbraw/zinc/27/11/68/287271168.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261863980 287274961 /nfs/dbraw/zinc/27/49/61/287274961.db2.gz SLNWKBNDMVPMAG-JFIYKMOQSA-N 1 3 337.508 1.853 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)C2CCOCC2)C1 ZINC000261863980 287274962 /nfs/dbraw/zinc/27/49/62/287274962.db2.gz SLNWKBNDMVPMAG-JFIYKMOQSA-N 1 3 337.508 1.853 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418301686 304477265 /nfs/dbraw/zinc/47/72/65/304477265.db2.gz ZAECPAAWOKVDKI-HNNXBMFYSA-N 1 3 326.485 1.040 20 0 EDADHO CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000121334070 287370288 /nfs/dbraw/zinc/37/02/88/287370288.db2.gz QFULSKRUHGVPCJ-IRXDYDNUSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@H]1C[C@@H](NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000121545220 287372232 /nfs/dbraw/zinc/37/22/32/287372232.db2.gz UDFGACBUKZNCQE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]1C[C@@H](NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000121545220 287372233 /nfs/dbraw/zinc/37/22/33/287372233.db2.gz UDFGACBUKZNCQE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO [NH3+]CC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCCC1 ZINC000238049312 273013889 /nfs/dbraw/zinc/01/38/89/273013889.db2.gz BEPFANPAOOHNPO-UHFFFAOYSA-N 1 3 325.522 1.983 20 0 EDADHO CN(C)C/C=C/C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000274491933 268150600 /nfs/dbraw/zinc/15/06/00/268150600.db2.gz KEJIAXKLUGBMHA-OPUMOTSWSA-N 1 3 331.460 1.377 20 0 EDADHO CN(C)C/C=C/C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000274491933 268150604 /nfs/dbraw/zinc/15/06/04/268150604.db2.gz KEJIAXKLUGBMHA-OPUMOTSWSA-N 1 3 331.460 1.377 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N(C)C1CC1 ZINC000275445683 268344145 /nfs/dbraw/zinc/34/41/45/268344145.db2.gz KXFQLNOSVCXHAN-CQSZACIVSA-N 1 3 346.475 1.328 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275510000 268352793 /nfs/dbraw/zinc/35/27/93/268352793.db2.gz SKKIPULJNWQSNU-UHFFFAOYSA-N 1 3 334.464 1.187 20 0 EDADHO C[NH+](C)C/C=C/C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277279772 273186724 /nfs/dbraw/zinc/18/67/24/273186724.db2.gz IDYIYESABQYKTG-OPUMOTSWSA-N 1 3 331.460 1.512 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 ZINC000155624034 287662852 /nfs/dbraw/zinc/66/28/52/287662852.db2.gz KEBLWMNZFYRKCG-UHFFFAOYSA-N 1 3 348.491 1.759 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417942501 277166294 /nfs/dbraw/zinc/16/62/94/277166294.db2.gz OBUYEHAVOMVPMC-MHORFTMASA-N 1 3 328.460 1.683 20 0 EDADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000122369233 277865659 /nfs/dbraw/zinc/86/56/59/277865659.db2.gz PNCWOJNRDVVYLV-BRWVUGGUSA-N 1 3 325.497 1.457 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364721650 278869688 /nfs/dbraw/zinc/86/96/88/278869688.db2.gz BFDBPOUHRXJZDB-GPMSIDNRSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000341093474 279357374 /nfs/dbraw/zinc/35/73/74/279357374.db2.gz VGPUGPDVWIBOSB-UHFFFAOYSA-N 1 3 332.492 1.725 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000341093474 279357377 /nfs/dbraw/zinc/35/73/77/279357377.db2.gz VGPUGPDVWIBOSB-UHFFFAOYSA-N 1 3 332.492 1.725 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114319 288162577 /nfs/dbraw/zinc/16/25/77/288162577.db2.gz LNXPNDJFZUMLSA-ZBFHGGJFSA-N 1 3 326.485 1.304 20 0 EDADHO CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)N(CC)CC ZINC000359208602 280066549 /nfs/dbraw/zinc/06/65/49/280066549.db2.gz CFPSGWXGMJRASL-WBVHZDCISA-N 1 3 327.513 1.658 20 0 EDADHO CC[C@@H](NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422779632 280186536 /nfs/dbraw/zinc/18/65/36/280186536.db2.gz GCZSTBKNIPDBMR-CABCVRRESA-N 1 3 336.480 1.751 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000076307178 280323241 /nfs/dbraw/zinc/32/32/41/280323241.db2.gz MLKFURJFEJFODX-WBVHZDCISA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291259988 289026779 /nfs/dbraw/zinc/02/67/79/289026779.db2.gz NGJKRXQUYQQQBT-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418602429 304517466 /nfs/dbraw/zinc/51/74/66/304517466.db2.gz MKVNXAFGCKTOQJ-UONOGXRCSA-N 1 3 333.436 1.062 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654033 304526103 /nfs/dbraw/zinc/52/61/03/304526103.db2.gz BJVTXJURTNFNCL-IRXDYDNUSA-N 1 3 334.464 1.439 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418841055 304539504 /nfs/dbraw/zinc/53/95/04/304539504.db2.gz GFRIPDKKJTUGOU-SJORKVTESA-N 1 3 346.475 1.054 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419808095 304687727 /nfs/dbraw/zinc/68/77/27/304687727.db2.gz GOUKNURDBOXAQD-AWEZNQCLSA-N 1 3 326.485 1.001 20 0 EDADHO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414755000 447322983 /nfs/dbraw/zinc/32/29/83/447322983.db2.gz GYJHXEAVGPXJMH-CRAIPNDOSA-N 1 3 339.480 1.095 20 0 EDADHO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414755000 447322984 /nfs/dbraw/zinc/32/29/84/447322984.db2.gz GYJHXEAVGPXJMH-CRAIPNDOSA-N 1 3 339.480 1.095 20 0 EDADHO C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1)N(C)C ZINC000298351232 303518175 /nfs/dbraw/zinc/51/81/75/303518175.db2.gz MTWTVUSDSMWTTB-KBPBESRZSA-N 1 3 334.464 1.046 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372877313 447332759 /nfs/dbraw/zinc/33/27/59/447332759.db2.gz KOLKEYOYHQYUHJ-CYJAXWMASA-N 1 3 337.508 1.709 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372877313 447332764 /nfs/dbraw/zinc/33/27/64/447332764.db2.gz KOLKEYOYHQYUHJ-CYJAXWMASA-N 1 3 337.508 1.709 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000422959808 304881009 /nfs/dbraw/zinc/88/10/09/304881009.db2.gz UOUCJBRAXNZMGM-SUNYJGFJSA-N 1 3 347.459 1.533 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423137423 304888297 /nfs/dbraw/zinc/88/82/97/304888297.db2.gz WNKLKTPBCBHNHN-JKSUJKDBSA-N 1 3 340.512 1.009 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000430734360 305063563 /nfs/dbraw/zinc/06/35/63/305063563.db2.gz MKPHHELEURIRNL-WBVHZDCISA-N 1 3 331.460 1.486 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000430734360 305063564 /nfs/dbraw/zinc/06/35/64/305063564.db2.gz MKPHHELEURIRNL-WBVHZDCISA-N 1 3 331.460 1.486 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000430771117 305064538 /nfs/dbraw/zinc/06/45/38/305064538.db2.gz BGNULFIIJCFPAO-QUCCMNQESA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431029801 305073046 /nfs/dbraw/zinc/07/30/46/305073046.db2.gz GSUFPPGDXGNRQJ-AWEZNQCLSA-N 1 3 336.480 1.609 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000433193076 305102683 /nfs/dbraw/zinc/10/26/83/305102683.db2.gz OIWMMZCFLCLWNI-KRWDZBQOSA-N 1 3 329.554 1.592 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000433193076 305102684 /nfs/dbraw/zinc/10/26/84/305102684.db2.gz OIWMMZCFLCLWNI-KRWDZBQOSA-N 1 3 329.554 1.592 20 0 EDADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000433327861 305106040 /nfs/dbraw/zinc/10/60/40/305106040.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](CNC(=O)NCCCN1CCCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327861 305106041 /nfs/dbraw/zinc/10/60/41/305106041.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457011 305109598 /nfs/dbraw/zinc/10/95/98/305109598.db2.gz OBTXMONPLAIKHA-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CC(C)N(C)CC(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559896 305142314 /nfs/dbraw/zinc/14/23/14/305142314.db2.gz RNMBQJRRQGWYLF-OAHLLOKOSA-N 1 3 333.480 1.231 20 0 EDADHO CCN(CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629914 305144134 /nfs/dbraw/zinc/14/41/34/305144134.db2.gz VNUCDEZHXRSUSU-CQSZACIVSA-N 1 3 341.477 1.177 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1(C)C ZINC000441389420 305221856 /nfs/dbraw/zinc/22/18/56/305221856.db2.gz ZLCALLXYLGJLPM-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)[C@@H](C(=O)NCCN1CCN(C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968612 305232309 /nfs/dbraw/zinc/23/23/09/305232309.db2.gz SIRPWDHQFXSYFQ-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000443069298 305234606 /nfs/dbraw/zinc/23/46/06/305234606.db2.gz JMEOANFWFRDCFI-AWEZNQCLSA-N 1 3 341.402 1.965 20 0 EDADHO COCCN(CCN(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582813 305267304 /nfs/dbraw/zinc/26/73/04/305267304.db2.gz AYGNGEYNXRTCHB-UHFFFAOYSA-N 1 3 336.480 1.833 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253063 305294493 /nfs/dbraw/zinc/29/44/93/305294493.db2.gz VIJHWMYNYHZRJA-HOTGVXAUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CN(C)CCN2C)CC1 ZINC000449144123 305307884 /nfs/dbraw/zinc/30/78/84/305307884.db2.gz YICGQWYYGZZXLJ-NQIIRXRSSA-N 1 3 344.547 1.917 20 0 EDADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000449144123 305307885 /nfs/dbraw/zinc/30/78/85/305307885.db2.gz YICGQWYYGZZXLJ-NQIIRXRSSA-N 1 3 344.547 1.917 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342505 305312002 /nfs/dbraw/zinc/31/20/02/305312002.db2.gz BYHARWVPQIEQHP-HKUYNNGSSA-N 1 3 331.460 1.145 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000451624500 305357027 /nfs/dbraw/zinc/35/70/27/305357027.db2.gz NGOGOKRCZSQQSQ-OKZBNKHCSA-N 1 3 330.476 1.041 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000451624500 305357028 /nfs/dbraw/zinc/35/70/28/305357028.db2.gz NGOGOKRCZSQQSQ-OKZBNKHCSA-N 1 3 330.476 1.041 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000414907289 447351615 /nfs/dbraw/zinc/35/16/15/447351615.db2.gz QFLWZUJNMDMGNI-CVEARBPZSA-N 1 3 330.432 1.040 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000515223157 305717308 /nfs/dbraw/zinc/71/73/08/305717308.db2.gz IKSLDTRIMXSCIS-HUUCEWRRSA-N 1 3 347.463 1.310 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000517042089 305747322 /nfs/dbraw/zinc/74/73/22/305747322.db2.gz LLMRGZCTNSNZCI-HNNXBMFYSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000458433264 447363516 /nfs/dbraw/zinc/36/35/16/447363516.db2.gz IUPJFUJUSQDLPR-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CCC1(CC)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[C@H]1OC ZINC000532594750 305986467 /nfs/dbraw/zinc/98/64/67/305986467.db2.gz WKTCRVLGNWRDKF-HZPDHXFCSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000542823922 306059129 /nfs/dbraw/zinc/05/91/29/306059129.db2.gz UPOPLXJGFDAVSI-NVXWUHKLSA-N 1 3 338.496 1.029 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000547363271 306099103 /nfs/dbraw/zinc/09/91/03/306099103.db2.gz VWOGYBJNVKLPJG-SJLPKXTDSA-N 1 3 340.512 1.326 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548392255 306126545 /nfs/dbraw/zinc/12/65/45/306126545.db2.gz LMEUJSILUJLRQC-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548392255 306126546 /nfs/dbraw/zinc/12/65/46/306126546.db2.gz LMEUJSILUJLRQC-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1cccc(N(C)C)c1 ZINC000549676560 306147368 /nfs/dbraw/zinc/14/73/68/306147368.db2.gz UOSYIMCNZNKDDZ-UHFFFAOYSA-N 1 3 334.508 1.637 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000554752473 306197416 /nfs/dbraw/zinc/19/74/16/306197416.db2.gz BZAUDWHAUBOBIM-IAGOWNOFSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419722034 447371904 /nfs/dbraw/zinc/37/19/04/447371904.db2.gz CZBUDLXETOGXHD-LSDHHAIUSA-N 1 3 346.475 1.182 20 0 EDADHO COC(=O)C(C)(C)CCNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969809 447379099 /nfs/dbraw/zinc/37/90/99/447379099.db2.gz JOUYKMOLDIZQNP-LLVKDONJSA-N 1 3 325.375 1.001 20 0 EDADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000415109411 447388780 /nfs/dbraw/zinc/38/87/80/447388780.db2.gz PKJVYQOERCZMDB-ZIAGYGMSSA-N 1 3 335.448 1.552 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415435394 447437210 /nfs/dbraw/zinc/43/72/10/447437210.db2.gz JJYNSIFWEHPNAI-DZGCQCFKSA-N 1 3 332.448 1.273 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000081235348 441241441 /nfs/dbraw/zinc/24/14/41/441241441.db2.gz NXISUEUCIGPNOG-UHFFFAOYSA-N 1 3 344.503 1.602 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996592 441329851 /nfs/dbraw/zinc/32/98/51/441329851.db2.gz ZAGFORNKGLNQJK-KRWDZBQOSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000073427104 441315721 /nfs/dbraw/zinc/31/57/21/441315721.db2.gz VQSJKTNOSPZHSY-KRWDZBQOSA-N 1 3 325.497 1.676 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442630 /nfs/dbraw/zinc/44/26/30/441442630.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442632 /nfs/dbraw/zinc/44/26/32/441442632.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 1 3 325.497 1.866 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CC2(O)CCOCC2)CC1 ZINC000088701729 441518047 /nfs/dbraw/zinc/51/80/47/441518047.db2.gz NGROMTBVLCUQMG-UHFFFAOYSA-N 1 3 347.503 1.850 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)N(C)C ZINC000089344728 441539366 /nfs/dbraw/zinc/53/93/66/441539366.db2.gz SXSVJKYUVIMHOA-MRXNPFEDSA-N 1 3 325.497 1.602 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@H]1CC12CC[NH2+]CC2 ZINC000137186769 441753179 /nfs/dbraw/zinc/75/31/79/441753179.db2.gz OHURVYBZLNTBEN-GOSISDBHSA-N 1 3 327.472 1.941 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000121763749 441775924 /nfs/dbraw/zinc/77/59/24/441775924.db2.gz NYYCINJURCENJF-PKOBYXMFSA-N 1 3 348.491 1.435 20 0 EDADHO C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000173528682 441780653 /nfs/dbraw/zinc/78/06/53/441780653.db2.gz SJONEWREYHVZND-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CN1CCC(O)(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000077774235 441857508 /nfs/dbraw/zinc/85/75/08/441857508.db2.gz YABRGUNKCMQHSO-MRXNPFEDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944688 441900761 /nfs/dbraw/zinc/90/07/61/441900761.db2.gz XFDDHFJPGDOZAJ-HOTGVXAUSA-N 1 3 332.492 1.991 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118118538 441890613 /nfs/dbraw/zinc/89/06/13/441890613.db2.gz HTBSUGQXNGLLDK-CQSZACIVSA-N 1 3 334.464 1.533 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118118538 441890618 /nfs/dbraw/zinc/89/06/18/441890618.db2.gz HTBSUGQXNGLLDK-CQSZACIVSA-N 1 3 334.464 1.533 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-n1cccn1 ZINC000119870412 441967788 /nfs/dbraw/zinc/96/77/88/441967788.db2.gz PMFAHQXMTNBTCW-UHFFFAOYSA-N 1 3 344.463 1.829 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000175558464 442085335 /nfs/dbraw/zinc/08/53/35/442085335.db2.gz GBXXUGKUEGNGBI-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000175558464 442085340 /nfs/dbraw/zinc/08/53/40/442085340.db2.gz GBXXUGKUEGNGBI-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458670213 447446621 /nfs/dbraw/zinc/44/66/21/447446621.db2.gz XDALCIFPBQIFTE-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1COc2ccccc21 ZINC000163561606 442174242 /nfs/dbraw/zinc/17/42/42/442174242.db2.gz ILLJBAQCNFPEIG-WBVHZDCISA-N 1 3 348.491 1.686 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4[C@H](C3)C4(C)C)CC2)CC1 ZINC000176382163 442216615 /nfs/dbraw/zinc/21/66/15/442216615.db2.gz UDDZCTKXWHYBJB-CALCHBBNSA-N 1 3 334.508 1.842 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000168096601 442223148 /nfs/dbraw/zinc/22/31/48/442223148.db2.gz DGSVRYWGWPKMAM-IBGZPJMESA-N 1 3 345.487 1.548 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168514987 442224920 /nfs/dbraw/zinc/22/49/20/442224920.db2.gz PQCWYSYSKUXPPR-SJLPKXTDSA-N 1 3 333.476 1.734 20 0 EDADHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168514987 442224922 /nfs/dbraw/zinc/22/49/22/442224922.db2.gz PQCWYSYSKUXPPR-SJLPKXTDSA-N 1 3 333.476 1.734 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000168964386 442225248 /nfs/dbraw/zinc/22/52/48/442225248.db2.gz HRDPDXIEBHFOFQ-HOTGVXAUSA-N 1 3 333.476 1.858 20 0 EDADHO COCCN(C)CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171203215 442327611 /nfs/dbraw/zinc/32/76/11/442327611.db2.gz MNHQHDAZGBIHID-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO Cc1c(F)cccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130546611 442348848 /nfs/dbraw/zinc/34/88/48/442348848.db2.gz HLFHEDQQWYIQSO-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO CNC(=O)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000131259423 442368562 /nfs/dbraw/zinc/36/85/62/442368562.db2.gz XASFSPNFYDMPGL-UHFFFAOYSA-N 1 3 335.452 1.003 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN[C@@H](C)C3)CC2)c1 ZINC000155172992 442379942 /nfs/dbraw/zinc/37/99/42/442379942.db2.gz OTFWXXDQBIKJGD-KRWDZBQOSA-N 1 3 330.476 1.327 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)C[C@@H]2CSCCN2)c1 ZINC000133440081 442418380 /nfs/dbraw/zinc/41/83/80/442418380.db2.gz IFYOXABZSAKVAJ-OAHLLOKOSA-N 1 3 337.489 1.338 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186707752 442596824 /nfs/dbraw/zinc/59/68/24/442596824.db2.gz KUQVOYHBXXOPPX-MAUKXSAKSA-N 1 3 325.497 1.900 20 0 EDADHO CC[N@H+](CCO)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000187385026 442673486 /nfs/dbraw/zinc/67/34/86/442673486.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 1 3 334.464 1.045 20 0 EDADHO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000187385026 442673487 /nfs/dbraw/zinc/67/34/87/442673487.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 1 3 334.464 1.045 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000193311576 442731839 /nfs/dbraw/zinc/73/18/39/442731839.db2.gz SQXYHKXCRIBOFZ-QGZVFWFLSA-N 1 3 332.492 1.390 20 0 EDADHO O[C@H](COC[C@H]1CCCO1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080714 442711490 /nfs/dbraw/zinc/71/14/90/442711490.db2.gz YZIFIYBQROMTLG-ZWKOTPCHSA-N 1 3 326.481 1.351 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CSC ZINC000246310998 442770730 /nfs/dbraw/zinc/77/07/30/442770730.db2.gz NQGHEOZQSDOABZ-HUUCEWRRSA-N 1 3 330.542 1.795 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CSC ZINC000246310998 442770734 /nfs/dbraw/zinc/77/07/34/442770734.db2.gz NQGHEOZQSDOABZ-HUUCEWRRSA-N 1 3 330.542 1.795 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)[C@@H](C)C1 ZINC000246419241 442781206 /nfs/dbraw/zinc/78/12/06/442781206.db2.gz LSJOJNBBBGRDHQ-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCN2CCOC)[C@@H](C)C1 ZINC000246419241 442781208 /nfs/dbraw/zinc/78/12/08/442781208.db2.gz LSJOJNBBBGRDHQ-BBWFWOEESA-N 1 3 340.512 1.469 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604897 442842774 /nfs/dbraw/zinc/84/27/74/442842774.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604897 442842779 /nfs/dbraw/zinc/84/27/79/442842779.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)C[C@H]1[NH+](C)C ZINC000268274724 442927870 /nfs/dbraw/zinc/92/78/70/442927870.db2.gz XCDZYBMYCVOHRU-DOTOQJQBSA-N 1 3 348.491 1.719 20 0 EDADHO CC[C@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000184160707 442997803 /nfs/dbraw/zinc/99/78/03/442997803.db2.gz MPSIERJDEQVDAR-HXUWFJFHSA-N 1 3 345.487 1.792 20 0 EDADHO CCn1ccnc(N2CCC(N[C@H]3CC[N@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000252528087 443041515 /nfs/dbraw/zinc/04/15/15/443041515.db2.gz FBDFCCQEZIOYSW-RDJZCZTQSA-N 1 3 347.507 1.552 20 0 EDADHO CCn1ccnc(N2CCC(N[C@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000252528087 443041519 /nfs/dbraw/zinc/04/15/19/443041519.db2.gz FBDFCCQEZIOYSW-RDJZCZTQSA-N 1 3 347.507 1.552 20 0 EDADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341464 443087678 /nfs/dbraw/zinc/08/76/78/443087678.db2.gz FRRFGAYDZCXXHU-QFBILLFUSA-N 1 3 345.487 1.601 20 0 EDADHO CO[C@H](C)[C@H](C)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905272 443142415 /nfs/dbraw/zinc/14/24/15/443142415.db2.gz LQAGSZIPAIWLDM-HDMKZQKVSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@H](C)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905272 443142419 /nfs/dbraw/zinc/14/24/19/443142419.db2.gz LQAGSZIPAIWLDM-HDMKZQKVSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905272 443142423 /nfs/dbraw/zinc/14/24/23/443142423.db2.gz LQAGSZIPAIWLDM-HDMKZQKVSA-N 1 3 333.476 1.897 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)CN1CCCC1 ZINC000268821789 443118178 /nfs/dbraw/zinc/11/81/78/443118178.db2.gz HUVHGZSCGJZKNM-FQEVSTJZSA-N 1 3 349.494 1.879 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000268825406 443118982 /nfs/dbraw/zinc/11/89/82/443118982.db2.gz ITCMOOQMXFDPJK-HOJAQTOUSA-N 1 3 331.504 1.943 20 0 EDADHO COCc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261894958 443173912 /nfs/dbraw/zinc/17/39/12/443173912.db2.gz ASTMOBYTNWCDFR-RTBURBONSA-N 1 3 345.487 1.913 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000269252176 443250883 /nfs/dbraw/zinc/25/08/83/443250883.db2.gz HWXPKXWXZXIVJI-SFHVURJKSA-N 1 3 349.475 1.402 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511784 319272579 /nfs/dbraw/zinc/27/25/79/319272579.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511784 319272581 /nfs/dbraw/zinc/27/25/81/319272581.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO COC(=O)c1cnc([C@@H](C)NC2CC[NH+](CCN(C)C)CC2)s1 ZINC000414061054 319315012 /nfs/dbraw/zinc/31/50/12/319315012.db2.gz KACXXIJYGUAQTD-GFCCVEGCSA-N 1 3 340.493 1.606 20 0 EDADHO C[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000414186375 319318056 /nfs/dbraw/zinc/31/80/56/319318056.db2.gz HRNUZFMXJYXNEP-OAHLLOKOSA-N 1 3 336.455 1.668 20 0 EDADHO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000414662595 319337801 /nfs/dbraw/zinc/33/78/01/319337801.db2.gz ZCBCPHSYEZEWGX-UHFFFAOYSA-N 1 3 346.353 1.171 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414691736 319343512 /nfs/dbraw/zinc/34/35/12/319343512.db2.gz AJQDUUJKTPTRLN-ZDUSSCGKSA-N 1 3 330.432 1.219 20 0 EDADHO CN(C)CCN(C(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000415085499 319346436 /nfs/dbraw/zinc/34/64/36/319346436.db2.gz SOSPDESZAVXGIO-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000415337018 319361470 /nfs/dbraw/zinc/36/14/70/319361470.db2.gz TVCHIGJYSOFMFV-MRXNPFEDSA-N 1 3 346.475 1.583 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000415972477 319386586 /nfs/dbraw/zinc/38/65/86/319386586.db2.gz MFMUJRQSDBREIB-QGZVFWFLSA-N 1 3 334.464 1.620 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996181 319388303 /nfs/dbraw/zinc/38/83/03/319388303.db2.gz OMKIYLGRRRDHKU-ZIAGYGMSSA-N 1 3 346.397 1.738 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269272737 443261150 /nfs/dbraw/zinc/26/11/50/443261150.db2.gz UFIYKIPIYXGPAW-KBAYOESNSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269272737 443261153 /nfs/dbraw/zinc/26/11/53/443261153.db2.gz UFIYKIPIYXGPAW-KBAYOESNSA-N 1 3 331.460 1.392 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185809137 443261704 /nfs/dbraw/zinc/26/17/04/443261704.db2.gz QGJHUSFFLKYKJQ-HOTGVXAUSA-N 1 3 327.517 1.042 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849213 319466278 /nfs/dbraw/zinc/46/62/78/319466278.db2.gz XKLJBTSJBSFQJQ-AWEZNQCLSA-N 1 3 340.493 1.420 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324422 /nfs/dbraw/zinc/32/44/22/443324422.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324426 /nfs/dbraw/zinc/32/44/26/443324426.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000417334663 319492831 /nfs/dbraw/zinc/49/28/31/319492831.db2.gz RKULRRRZDIMXBV-HNNXBMFYSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H]1C ZINC000417371099 319494877 /nfs/dbraw/zinc/49/48/77/319494877.db2.gz UZDDLELTOGNAOC-HUUCEWRRSA-N 1 3 334.464 1.519 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000417953959 319498145 /nfs/dbraw/zinc/49/81/45/319498145.db2.gz PWYMNPZQSZZZDT-HOCLYGCPSA-N 1 3 349.479 1.339 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1[NH+](C)C ZINC000271829806 443514556 /nfs/dbraw/zinc/51/45/56/443514556.db2.gz RVKLDLLZAIPXJK-QAPCUYQASA-N 1 3 345.491 1.890 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000427292949 319895565 /nfs/dbraw/zinc/89/55/65/319895565.db2.gz WGCSVEXXJDMUED-OAHLLOKOSA-N 1 3 349.450 1.785 20 0 EDADHO CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1C ZINC000438078362 320032977 /nfs/dbraw/zinc/03/29/77/320032977.db2.gz NGPYCTAUAHAHBM-HNNXBMFYSA-N 1 3 334.464 1.637 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000440634155 320076141 /nfs/dbraw/zinc/07/61/41/320076141.db2.gz CIHSTYSFVIAICA-IRXDYDNUSA-N 1 3 327.513 1.970 20 0 EDADHO CN(C)CCOCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000471638563 320352815 /nfs/dbraw/zinc/35/28/15/320352815.db2.gz SWGPMPNUFGWXSL-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000276424532 443702565 /nfs/dbraw/zinc/70/25/65/443702565.db2.gz LMROFNYUPKKRCQ-AEFFLSMTSA-N 1 3 347.507 1.885 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000520372939 320477568 /nfs/dbraw/zinc/47/75/68/320477568.db2.gz BVGXYUNTSQYAOZ-INIZCTEOSA-N 1 3 330.476 1.950 20 0 EDADHO CCO[C@@H](C)c1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000531122381 320649737 /nfs/dbraw/zinc/64/97/37/320649737.db2.gz NMHZSTONDGBJFU-ZDUSSCGKSA-N 1 3 342.509 1.806 20 0 EDADHO [NH3+]CC[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000281938990 444044109 /nfs/dbraw/zinc/04/41/09/444044109.db2.gz KZRXTLDARHRXCM-GOSISDBHSA-N 1 3 344.503 1.786 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC(C[NH+](C)C)CC2)n1 ZINC000561133773 321034264 /nfs/dbraw/zinc/03/42/64/321034264.db2.gz JNJBWDLIYQRIRS-UHFFFAOYSA-N 1 3 335.500 1.714 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186322 321035558 /nfs/dbraw/zinc/03/55/58/321035558.db2.gz QTDNXRKIHQLYKP-NVXWUHKLSA-N 1 3 330.476 1.948 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)CC1 ZINC000562950219 321082543 /nfs/dbraw/zinc/08/25/43/321082543.db2.gz GIPDPNWMBBVHFB-UHFFFAOYSA-N 1 3 347.507 1.706 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)CC1 ZINC000562950219 321082545 /nfs/dbraw/zinc/08/25/45/321082545.db2.gz GIPDPNWMBBVHFB-UHFFFAOYSA-N 1 3 347.507 1.706 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@@H]2CN)CC1 ZINC000564457624 321133322 /nfs/dbraw/zinc/13/33/22/321133322.db2.gz XGINBDMQYDYYPY-IBGZPJMESA-N 1 3 344.503 1.534 20 0 EDADHO [NH3+][C@@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)C1CCC1 ZINC000564914798 321156657 /nfs/dbraw/zinc/15/66/57/321156657.db2.gz QKFNQJHYOVDCEZ-LJQANCHMSA-N 1 3 344.503 1.832 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000568744931 321304399 /nfs/dbraw/zinc/30/43/99/321304399.db2.gz JXYHKJTYIHBVMR-OAHLLOKOSA-N 1 3 328.420 1.344 20 0 EDADHO C[C@H]1CN(Cc2cccc(C[NH2+]C[C@H](O)CN(C)C3CC3)c2)CCO1 ZINC000571198494 321375819 /nfs/dbraw/zinc/37/58/19/321375819.db2.gz MOFRTLRPQGJSTC-JXFKEZNVSA-N 1 3 347.503 1.452 20 0 EDADHO O=CN1CCC([NH2+]CCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000278308327 444135276 /nfs/dbraw/zinc/13/52/76/444135276.db2.gz SQZTUAXANRYLBU-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000290153160 444248901 /nfs/dbraw/zinc/24/89/01/444248901.db2.gz NKNXZZBNPVQIOZ-RBUKOAKNSA-N 1 3 344.503 1.438 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)C[C@@H](C)O1 ZINC000303981627 444238789 /nfs/dbraw/zinc/23/87/89/444238789.db2.gz FXPJCZGJECONSH-MKXGPGLRSA-N 1 3 339.524 1.407 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)C[C@@H](C)O1 ZINC000303981627 444238792 /nfs/dbraw/zinc/23/87/92/444238792.db2.gz FXPJCZGJECONSH-MKXGPGLRSA-N 1 3 339.524 1.407 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000290115648 444244177 /nfs/dbraw/zinc/24/41/77/444244177.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 1 3 328.460 1.819 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000290115648 444244178 /nfs/dbraw/zinc/24/41/78/444244178.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 1 3 328.460 1.819 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304257057 444244462 /nfs/dbraw/zinc/24/44/62/444244462.db2.gz DODZTGJKRCRQCX-VQTJNVASSA-N 1 3 331.504 1.897 20 0 EDADHO C[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)N(C)C1CC1 ZINC000580171966 322018113 /nfs/dbraw/zinc/01/81/13/322018113.db2.gz HQTRMUSRFYVTRW-IGMKFADOSA-N 1 3 334.508 1.922 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cn1cccn1 ZINC000581246089 322154129 /nfs/dbraw/zinc/15/41/29/322154129.db2.gz HVNQRNPYOSBKBF-RTBURBONSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246089 322154131 /nfs/dbraw/zinc/15/41/31/322154131.db2.gz HVNQRNPYOSBKBF-RTBURBONSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246089 322154133 /nfs/dbraw/zinc/15/41/33/322154133.db2.gz HVNQRNPYOSBKBF-RTBURBONSA-N 1 3 328.460 1.398 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000581655085 322204195 /nfs/dbraw/zinc/20/41/95/322204195.db2.gz QNKGCZRDDBFYOP-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000342146603 444533913 /nfs/dbraw/zinc/53/39/13/444533913.db2.gz YECJSYAVEPAYEV-CQSZACIVSA-N 1 3 334.439 1.334 20 0 EDADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)C ZINC000340881982 444556733 /nfs/dbraw/zinc/55/67/33/444556733.db2.gz CNOBCYGUTRLZRJ-KRWDZBQOSA-N 1 3 342.528 1.857 20 0 EDADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000332998473 444625172 /nfs/dbraw/zinc/62/51/72/444625172.db2.gz HXBDUZCDIORWLB-KZNAEPCWSA-N 1 3 348.491 1.020 20 0 EDADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794073 /nfs/dbraw/zinc/79/40/73/444794073.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 1 3 329.488 1.773 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794076 /nfs/dbraw/zinc/79/40/76/444794076.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 1 3 329.488 1.773 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C2CCN(C(C)=O)CC2)CC1 ZINC000343091537 445056129 /nfs/dbraw/zinc/05/61/29/445056129.db2.gz GXEXUUOTGNQZOY-UHFFFAOYSA-N 1 3 344.503 1.929 20 0 EDADHO COc1cc(C)c(C[C@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399976 445062938 /nfs/dbraw/zinc/06/29/38/445062938.db2.gz QUFHOSBSIZOSBJ-RDJZCZTQSA-N 1 3 336.476 1.990 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339318520 445132088 /nfs/dbraw/zinc/13/20/88/445132088.db2.gz SSPIXKLIJJDNAU-BZUAXINKSA-N 1 3 328.501 1.230 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343173562 445114140 /nfs/dbraw/zinc/11/41/40/445114140.db2.gz NYXYWDUCVRHCKA-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000343173562 445114142 /nfs/dbraw/zinc/11/41/42/445114142.db2.gz NYXYWDUCVRHCKA-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697606 445223859 /nfs/dbraw/zinc/22/38/59/445223859.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 1 3 337.508 1.819 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697606 445223860 /nfs/dbraw/zinc/22/38/60/445223860.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 1 3 337.508 1.819 20 0 EDADHO CN(CCCO)C1CC[NH+](C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343575122 445248089 /nfs/dbraw/zinc/24/80/89/445248089.db2.gz HYIKVYWKTWSKFB-QAPCUYQASA-N 1 3 336.480 1.276 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCCN2C)cn1 ZINC000348108519 445271525 /nfs/dbraw/zinc/27/15/25/445271525.db2.gz SVPAKNIVIWBDOD-BZSNNMDCSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CC[C@@H]2CCCN2C)cn1 ZINC000348108519 445271528 /nfs/dbraw/zinc/27/15/28/445271528.db2.gz SVPAKNIVIWBDOD-BZSNNMDCSA-N 1 3 337.487 1.749 20 0 EDADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000348130422 445284106 /nfs/dbraw/zinc/28/41/06/445284106.db2.gz WGLFKHGBNCAERG-HYVNUMGLSA-N 1 3 336.480 1.118 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000348130058 445284563 /nfs/dbraw/zinc/28/45/63/445284563.db2.gz UEVBOWQTJZRLTC-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000348130058 445284565 /nfs/dbraw/zinc/28/45/65/445284565.db2.gz UEVBOWQTJZRLTC-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c(CN(C)C)c1 ZINC000354692256 445342408 /nfs/dbraw/zinc/34/24/08/445342408.db2.gz MXMDSOMYVOLMDP-MRXNPFEDSA-N 1 3 332.448 1.253 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354870663 445430770 /nfs/dbraw/zinc/43/07/70/445430770.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1ccnc1CN1C[C@H](F)C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000354870663 445430772 /nfs/dbraw/zinc/43/07/72/445430772.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 1 3 335.471 1.549 20 0 EDADHO O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000349055863 445489603 /nfs/dbraw/zinc/48/96/03/445489603.db2.gz PIFOPBZAGRUTED-AWEZNQCLSA-N 1 3 337.489 1.455 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357222700 445491122 /nfs/dbraw/zinc/49/11/22/445491122.db2.gz IBXFSCGJDDIUGA-INIZCTEOSA-N 1 3 344.503 1.296 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1 ZINC000353466731 445614939 /nfs/dbraw/zinc/61/49/39/445614939.db2.gz JAOJLQULZUMQJA-ZDUSSCGKSA-N 1 3 333.354 1.175 20 0 EDADHO Cc1cccc(OCCCNC(=O)CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515875 445627958 /nfs/dbraw/zinc/62/79/58/445627958.db2.gz NPVQOHPSMADJGR-UHFFFAOYSA-N 1 3 345.487 1.956 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362871268 445590649 /nfs/dbraw/zinc/59/06/49/445590649.db2.gz MCLYEBHCTZNRSE-CGTJXYLNSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362871268 445590655 /nfs/dbraw/zinc/59/06/55/445590655.db2.gz MCLYEBHCTZNRSE-CGTJXYLNSA-N 1 3 335.492 1.620 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCO1 ZINC000358544086 445644010 /nfs/dbraw/zinc/64/40/10/445644010.db2.gz VJTAWJWJKAPARL-WBVHZDCISA-N 1 3 335.423 1.224 20 0 EDADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000353569575 445660763 /nfs/dbraw/zinc/66/07/63/445660763.db2.gz RJDRDUDECVPCRF-SFHVURJKSA-N 1 3 340.556 1.493 20 0 EDADHO CCOC(=O)c1coc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000353628516 445682626 /nfs/dbraw/zinc/68/26/26/445682626.db2.gz URPNJNWOGPNPRM-AWEZNQCLSA-N 1 3 338.448 1.981 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1 ZINC000358658424 445697644 /nfs/dbraw/zinc/69/76/44/445697644.db2.gz DZHIZGGHBAFLEU-IEBWSBKVSA-N 1 3 348.491 1.435 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356285492 445717240 /nfs/dbraw/zinc/71/72/40/445717240.db2.gz RLJPKMCQVFPEEC-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000358689452 445718353 /nfs/dbraw/zinc/71/83/53/445718353.db2.gz KVWWYJHXAGNBKN-WBVHZDCISA-N 1 3 333.476 1.674 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929660 445723551 /nfs/dbraw/zinc/72/35/51/445723551.db2.gz CKJCAXYRJSWUMJ-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000349929660 445723556 /nfs/dbraw/zinc/72/35/56/445723556.db2.gz CKJCAXYRJSWUMJ-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H]1C[C@@H](NCCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828187 445796977 /nfs/dbraw/zinc/79/69/77/445796977.db2.gz SGYWYEZTUNKGNY-WMZOPIPTSA-N 1 3 325.460 2.531 20 0 EDADHO C[C@H]1C[C@@H](NCCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828187 445796981 /nfs/dbraw/zinc/79/69/81/445796981.db2.gz SGYWYEZTUNKGNY-WMZOPIPTSA-N 1 3 325.460 2.531 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353914839 445811211 /nfs/dbraw/zinc/81/12/11/445811211.db2.gz LJMBPHLDXIAQBI-FGTMMUONSA-N 1 3 339.524 1.972 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876693 /nfs/dbraw/zinc/87/66/93/445876693.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 1 3 334.508 1.146 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876697 /nfs/dbraw/zinc/87/66/97/445876697.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 1 3 334.508 1.146 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356529578 445842822 /nfs/dbraw/zinc/84/28/22/445842822.db2.gz QOOYMHTWZQNESC-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356529578 445842826 /nfs/dbraw/zinc/84/28/26/445842826.db2.gz QOOYMHTWZQNESC-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000363657181 445864767 /nfs/dbraw/zinc/86/47/67/445864767.db2.gz WCGVIWMGLXTKPZ-SFHVURJKSA-N 1 3 336.524 1.491 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365921982 445907541 /nfs/dbraw/zinc/90/75/41/445907541.db2.gz CUZGYARCSDGNTB-TWMKSMIVSA-N 1 3 336.480 1.118 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365921982 445907546 /nfs/dbraw/zinc/90/75/46/445907546.db2.gz CUZGYARCSDGNTB-TWMKSMIVSA-N 1 3 336.480 1.118 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012907 /nfs/dbraw/zinc/01/29/07/446012907.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 1 3 346.475 1.919 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012911 /nfs/dbraw/zinc/01/29/11/446012911.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 1 3 346.475 1.919 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451167 326076258 /nfs/dbraw/zinc/07/62/58/326076258.db2.gz MXZGHHKLZILGEL-KFWWJZLASA-N 1 3 329.452 1.200 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000583510627 326087982 /nfs/dbraw/zinc/08/79/82/326087982.db2.gz XNUSWVLSYGBHCV-SOLBZPMBSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)N2CCCN(CC3CCC3)CC2)n1 ZINC000583574328 326098828 /nfs/dbraw/zinc/09/88/28/326098828.db2.gz VQKRAMUJKGVGOV-UHFFFAOYSA-N 1 3 333.480 1.393 20 0 EDADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000356836175 446057377 /nfs/dbraw/zinc/05/73/77/446057377.db2.gz HBWPEIJPTBZGPQ-ROUUACIJSA-N 1 3 332.492 1.998 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373266741 446132857 /nfs/dbraw/zinc/13/28/57/446132857.db2.gz YZFTWRPIWKKQSJ-NVXWUHKLSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000373266741 446132862 /nfs/dbraw/zinc/13/28/62/446132862.db2.gz YZFTWRPIWKKQSJ-NVXWUHKLSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C[C@@H](O)C[NH+]1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000351604046 446199445 /nfs/dbraw/zinc/19/94/45/446199445.db2.gz CSWOKGYQMDRUHQ-LJQANCHMSA-N 1 3 339.524 1.266 20 0 EDADHO C[N@H+](C[C@@H](O)CN1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000351604046 446199452 /nfs/dbraw/zinc/19/94/52/446199452.db2.gz CSWOKGYQMDRUHQ-LJQANCHMSA-N 1 3 339.524 1.266 20 0 EDADHO C[N@@H+](C[C@@H](O)CN1CCC(CCCN2CCOCC2)CC1)C1CC1 ZINC000351604046 446199457 /nfs/dbraw/zinc/19/94/57/446199457.db2.gz CSWOKGYQMDRUHQ-LJQANCHMSA-N 1 3 339.524 1.266 20 0 EDADHO CN1CCN(CC2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000365686803 446300913 /nfs/dbraw/zinc/30/09/13/446300913.db2.gz NHZNBFPCKLCZBJ-UHFFFAOYSA-N 1 3 348.535 1.491 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417957223 446399206 /nfs/dbraw/zinc/39/92/06/446399206.db2.gz UGAGYACIQNSBSA-MRXNPFEDSA-N 1 3 349.479 1.163 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417819566 446374399 /nfs/dbraw/zinc/37/43/99/446374399.db2.gz XLSMHDQGPOQZLD-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000370670538 446380662 /nfs/dbraw/zinc/38/06/62/446380662.db2.gz DLYNXHLHPIJEAI-IZBJGVDFSA-N 1 3 348.487 1.905 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000370670538 446380663 /nfs/dbraw/zinc/38/06/63/446380663.db2.gz DLYNXHLHPIJEAI-IZBJGVDFSA-N 1 3 348.487 1.905 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000365887013 446387722 /nfs/dbraw/zinc/38/77/22/446387722.db2.gz SNPYXASVVMWVKN-RHSMWYFYSA-N 1 3 329.460 1.162 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCn1cc(Br)ccc1=O ZINC000423145687 446439578 /nfs/dbraw/zinc/43/95/78/446439578.db2.gz MABINAIDTGFATJ-WCQYABFASA-N 1 3 328.254 1.718 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423145687 446439582 /nfs/dbraw/zinc/43/95/82/446439582.db2.gz MABINAIDTGFATJ-WCQYABFASA-N 1 3 328.254 1.718 20 0 EDADHO CCOc1cc2[nH+]ccc(NC[C@H]3CNCCO3)c2cc1OCC ZINC000420270222 446441953 /nfs/dbraw/zinc/44/19/53/446441953.db2.gz AEDGNNGLVTZLLW-CYBMUJFWSA-N 1 3 331.416 1.854 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@H](c1ccccc1)N(C)C ZINC000418179672 446448585 /nfs/dbraw/zinc/44/85/85/446448585.db2.gz JQQCIHPJCMBGOX-SJLPKXTDSA-N 1 3 347.507 1.272 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417961500 446401696 /nfs/dbraw/zinc/40/16/96/446401696.db2.gz BJYUGZCNEDDULE-HOCLYGCPSA-N 1 3 331.464 1.677 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[NH2+]1 ZINC000417988743 446409431 /nfs/dbraw/zinc/40/94/31/446409431.db2.gz IRSCHTNFBCFCJH-ZTFGCOKTSA-N 1 3 346.475 1.193 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417994664 446409914 /nfs/dbraw/zinc/40/99/14/446409914.db2.gz OZNFNTLSZFMYRQ-MSOLQXFVSA-N 1 3 348.491 1.570 20 0 EDADHO CC(CCN1CCCC[C@H]1C(N)=O)CC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000411150992 446410533 /nfs/dbraw/zinc/41/05/33/446410533.db2.gz AHQKZFVEJKIQJQ-HOTGVXAUSA-N 1 3 338.496 1.082 20 0 EDADHO CC(CCN1CCCC[C@H]1C(N)=O)CC[N@H+]1CCCC[C@H]1C(N)=O ZINC000411150992 446410537 /nfs/dbraw/zinc/41/05/37/446410537.db2.gz AHQKZFVEJKIQJQ-HOTGVXAUSA-N 1 3 338.496 1.082 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326232 446493380 /nfs/dbraw/zinc/49/33/80/446493380.db2.gz JPWDWMALGYOOEP-CVEARBPZSA-N 1 3 349.450 1.642 20 0 EDADHO CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1C[C@@H](C)O ZINC000420325919 446493796 /nfs/dbraw/zinc/49/37/96/446493796.db2.gz WWJUOBGZSWSYRD-BPQIPLTHSA-N 1 3 335.492 1.515 20 0 EDADHO C[C@@H](C(=O)NC1CCCC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327744 446495387 /nfs/dbraw/zinc/49/53/87/446495387.db2.gz YZJDPSKVWFCWON-IRXDYDNUSA-N 1 3 336.524 1.441 20 0 EDADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329372 446497048 /nfs/dbraw/zinc/49/70/48/446497048.db2.gz GMRTUKMJNPDRQR-QRQLOZEOSA-N 1 3 329.488 1.974 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343754 446515987 /nfs/dbraw/zinc/51/59/87/446515987.db2.gz RNGKVTDKOSIXKD-ZJPYXAASSA-N 1 3 337.508 1.629 20 0 EDADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2ccccc2OC1)N1CC[NH2+]CC1 ZINC000423397801 446516039 /nfs/dbraw/zinc/51/60/39/446516039.db2.gz VARWETHCKMGIIZ-GDBMZVCRSA-N 1 3 343.393 1.806 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418377800 446520912 /nfs/dbraw/zinc/52/09/12/446520912.db2.gz VLUMSWVSHQIAOA-OAHLLOKOSA-N 1 3 340.418 1.790 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@]2(C)CCCC[C@H]2C(=O)OC)CC1 ZINC000411406527 446522675 /nfs/dbraw/zinc/52/26/75/446522675.db2.gz JHEPNMHELLQLEB-YJBOKZPZSA-N 1 3 339.480 1.298 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000418388122 446524251 /nfs/dbraw/zinc/52/42/51/446524251.db2.gz POLKZWWFTQVAKB-IAGOWNOFSA-N 1 3 333.480 1.528 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423427311 446533210 /nfs/dbraw/zinc/53/32/10/446533210.db2.gz IPFHBZMVASJTGK-IYBDPMFKSA-N 1 3 337.508 1.853 20 0 EDADHO COCCOc1ccccc1N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420363098 446542880 /nfs/dbraw/zinc/54/28/80/446542880.db2.gz OXOSONAKINNTCP-QGZVFWFLSA-N 1 3 333.476 1.833 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418469352 446555292 /nfs/dbraw/zinc/55/52/92/446555292.db2.gz PHSDLOQERTYRTP-PKOBYXMFSA-N 1 3 346.475 1.002 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000418472818 446556457 /nfs/dbraw/zinc/55/64/57/446556457.db2.gz XBSXTMVNJREZCZ-YOEHRIQHSA-N 1 3 334.464 1.352 20 0 EDADHO CCN1CCC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579484 446615129 /nfs/dbraw/zinc/61/51/29/446615129.db2.gz UTIBWWPJNHVDSL-JKSUJKDBSA-N 1 3 325.522 1.804 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000418617114 446617600 /nfs/dbraw/zinc/61/76/00/446617600.db2.gz ZFHBKJJEXRJYJL-QRTARXTBSA-N 1 3 334.464 1.738 20 0 EDADHO CN(C)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405365 446571062 /nfs/dbraw/zinc/57/10/62/446571062.db2.gz FIUSBRZOHDXKOC-JKSUJKDBSA-N 1 3 342.447 1.235 20 0 EDADHO O=C1N[C@H]2CN(CCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397213 446572234 /nfs/dbraw/zinc/57/22/34/446572234.db2.gz FGVJIHWHCQJNMA-ROUUACIJSA-N 1 3 328.460 1.449 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418550203 446589959 /nfs/dbraw/zinc/58/99/59/446589959.db2.gz LFWMAUOYCADKJI-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000418550203 446589962 /nfs/dbraw/zinc/58/99/62/446589962.db2.gz LFWMAUOYCADKJI-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418567931 446598427 /nfs/dbraw/zinc/59/84/27/446598427.db2.gz XCZITNIHAZOOFH-QAPCUYQASA-N 1 3 334.464 1.002 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000424453505 446874835 /nfs/dbraw/zinc/87/48/35/446874835.db2.gz KHFVBJLXDQWURA-OAHLLOKOSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000424453505 446874841 /nfs/dbraw/zinc/87/48/41/446874841.db2.gz KHFVBJLXDQWURA-OAHLLOKOSA-N 1 3 346.475 1.629 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419125993 446937755 /nfs/dbraw/zinc/93/77/55/446937755.db2.gz VAYUSBVJOKWHNH-AWEZNQCLSA-N 1 3 326.485 1.001 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960516 /nfs/dbraw/zinc/96/05/16/446960516.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 1 3 338.496 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960521 /nfs/dbraw/zinc/96/05/21/446960521.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 1 3 338.496 1.080 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419208764 447012471 /nfs/dbraw/zinc/01/24/71/447012471.db2.gz RRACVYWIXOISQL-OAHLLOKOSA-N 1 3 346.475 1.142 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419165483 446982500 /nfs/dbraw/zinc/98/25/00/446982500.db2.gz GLJZSPZAIKMCOA-GPANFISMSA-N 1 3 338.496 1.143 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989795 /nfs/dbraw/zinc/98/97/95/446989795.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CC(=O)NC(C)(C)CC)CC2)CC1 ZINC000421018323 446989805 /nfs/dbraw/zinc/98/98/05/446989805.db2.gz WYGQBZSUKGTGRT-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CCOCc1ccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443059056 447000529 /nfs/dbraw/zinc/00/05/29/447000529.db2.gz LTWMHHRMGUOWLS-QGZVFWFLSA-N 1 3 333.476 1.900 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)c1ccc2c(c1)CC[NH2+]CC2 ZINC000375969368 447181844 /nfs/dbraw/zinc/18/18/44/447181844.db2.gz OGBQHWQAAQPENY-HXUWFJFHSA-N 1 3 335.451 1.992 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@H]1C ZINC000455656708 447198824 /nfs/dbraw/zinc/19/88/24/447198824.db2.gz KXVAZTAFJIBOCO-HUUCEWRRSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@H]1C ZINC000455656708 447198830 /nfs/dbraw/zinc/19/88/30/447198830.db2.gz KXVAZTAFJIBOCO-HUUCEWRRSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000413819632 447257444 /nfs/dbraw/zinc/25/74/44/447257444.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000413819632 447257449 /nfs/dbraw/zinc/25/74/49/447257449.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419903068 447480108 /nfs/dbraw/zinc/48/01/08/447480108.db2.gz UVTSEXKTNRGLJF-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390848254 447502759 /nfs/dbraw/zinc/50/27/59/447502759.db2.gz CEWSIMGWWXZSHN-MSOLQXFVSA-N 1 3 331.460 1.393 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000457527399 447588865 /nfs/dbraw/zinc/58/88/65/447588865.db2.gz FZMWGISTZBEESQ-KRWDZBQOSA-N 1 3 340.512 1.254 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000416826511 447692726 /nfs/dbraw/zinc/69/27/26/447692726.db2.gz BUBKEWCVVMCZCP-CEXWTWQISA-N 1 3 344.503 1.847 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416815058 447690901 /nfs/dbraw/zinc/69/09/01/447690901.db2.gz VYODVVPUYOHKEZ-KBPBESRZSA-N 1 3 326.391 1.586 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[NH+]1CCC(C)CC1 ZINC000458053529 447710572 /nfs/dbraw/zinc/71/05/72/447710572.db2.gz SKWPIPIURSKFCZ-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000422710284 447722919 /nfs/dbraw/zinc/72/29/19/447722919.db2.gz FOWYWFSJBVUZMP-WMZOPIPTSA-N 1 3 336.524 1.299 20 0 EDADHO COc1ccc([C@H](NCC2(O)CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977415 447785987 /nfs/dbraw/zinc/78/59/87/447785987.db2.gz KBKSGGZBNNYCCK-MSOLQXFVSA-N 1 3 333.476 1.535 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000471651730 447807088 /nfs/dbraw/zinc/80/70/88/447807088.db2.gz ACPJPDLVRFGOOK-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113841 447807720 /nfs/dbraw/zinc/80/77/20/447807720.db2.gz ZIERQVOJCRXBMU-HIFRSBDPSA-N 1 3 334.464 1.782 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000487685528 447835922 /nfs/dbraw/zinc/83/59/22/447835922.db2.gz IIXYMRAETPHRIS-YJBOKZPZSA-N 1 3 333.476 1.783 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000487685528 447835923 /nfs/dbraw/zinc/83/59/23/447835923.db2.gz IIXYMRAETPHRIS-YJBOKZPZSA-N 1 3 333.476 1.783 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000523649099 447895804 /nfs/dbraw/zinc/89/58/04/447895804.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 1 3 339.480 1.204 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523649099 447895810 /nfs/dbraw/zinc/89/58/10/447895810.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 1 3 339.480 1.204 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665618 447897270 /nfs/dbraw/zinc/89/72/70/447897270.db2.gz MDLWEXJINKIBOO-AEFFLSMTSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665618 447897277 /nfs/dbraw/zinc/89/72/77/447897277.db2.gz MDLWEXJINKIBOO-AEFFLSMTSA-N 1 3 345.487 1.954 20 0 EDADHO O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000575991963 447947093 /nfs/dbraw/zinc/94/70/93/447947093.db2.gz JXMIDGMLIZCGDG-ROUUACIJSA-N 1 3 334.508 1.336 20 0 EDADHO CC(C)N1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530575408 447916989 /nfs/dbraw/zinc/91/69/89/447916989.db2.gz OLFPOQSONNXJMR-FQEVSTJZSA-N 1 3 345.487 1.566 20 0 EDADHO CC(C)N1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530575408 447916994 /nfs/dbraw/zinc/91/69/94/447916994.db2.gz OLFPOQSONNXJMR-FQEVSTJZSA-N 1 3 345.487 1.566 20 0 EDADHO CCc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)on1 ZINC000524639209 447938224 /nfs/dbraw/zinc/93/82/24/447938224.db2.gz GHMDJUCKCNIIOV-UHFFFAOYSA-N 1 3 349.479 1.595 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nc(C)no3)CC2)CC1 ZINC000553428911 447993305 /nfs/dbraw/zinc/99/33/05/447993305.db2.gz HGIWSJGBLRBOLA-UHFFFAOYSA-N 1 3 335.452 1.191 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804201 448028140 /nfs/dbraw/zinc/02/81/40/448028140.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804201 448028144 /nfs/dbraw/zinc/02/81/44/448028144.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 1 3 330.476 1.752 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000531294585 448056262 /nfs/dbraw/zinc/05/62/62/448056262.db2.gz OWZLYRHRHMQGAL-UYAOXDASSA-N 1 3 347.503 1.716 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000491647443 448070823 /nfs/dbraw/zinc/07/08/23/448070823.db2.gz WMYNXLMAGUTIIF-WAYWQWQTSA-N 1 3 344.503 1.558 20 0 EDADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000576576490 448087667 /nfs/dbraw/zinc/08/76/67/448087667.db2.gz DTURQBGMRCMOMG-GOSISDBHSA-N 1 3 336.476 1.825 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N(C)C1 ZINC000501742043 448095742 /nfs/dbraw/zinc/09/57/42/448095742.db2.gz AAMWXXATCONZFM-UGUYLWEFSA-N 1 3 326.485 1.220 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149344 448111044 /nfs/dbraw/zinc/11/10/44/448111044.db2.gz WCALBRNEGMACPX-MAUKXSAKSA-N 1 3 328.460 1.726 20 0 EDADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000497052467 448158167 /nfs/dbraw/zinc/15/81/67/448158167.db2.gz HNYYHIGHIXHFGD-ZIAGYGMSSA-N 1 3 331.501 1.780 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156472 448112045 /nfs/dbraw/zinc/11/20/45/448112045.db2.gz DBKSBZXHLQKKIA-ZWKOTPCHSA-N 1 3 331.508 1.973 20 0 EDADHO CN(C)c1ccncc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571313036 448135954 /nfs/dbraw/zinc/13/59/54/448135954.db2.gz KOMPGGPSGHCBHU-UHFFFAOYSA-N 1 3 331.464 1.094 20 0 EDADHO CN(C)c1ccncc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000571313036 448135958 /nfs/dbraw/zinc/13/59/58/448135958.db2.gz KOMPGGPSGHCBHU-UHFFFAOYSA-N 1 3 331.464 1.094 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)C ZINC000571316250 448137003 /nfs/dbraw/zinc/13/70/03/448137003.db2.gz YQQWBOVVVSRQKV-HBFSDRIKSA-N 1 3 348.535 1.184 20 0 EDADHO CN1CCN(CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000556705690 448138423 /nfs/dbraw/zinc/13/84/23/448138423.db2.gz KSYHVAHIBRLFDN-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO CCCN1CCC([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532220182 448217599 /nfs/dbraw/zinc/21/75/99/448217599.db2.gz OINWTMGMPFPZNX-LJQANCHMSA-N 1 3 344.459 1.705 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515405915 448308243 /nfs/dbraw/zinc/30/82/43/448308243.db2.gz NKVXDRLWEHPFHK-BZSNNMDCSA-N 1 3 328.460 1.799 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000515405915 448308248 /nfs/dbraw/zinc/30/82/48/448308248.db2.gz NKVXDRLWEHPFHK-BZSNNMDCSA-N 1 3 328.460 1.799 20 0 EDADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000577372911 448278917 /nfs/dbraw/zinc/27/89/17/448278917.db2.gz YYYBSHPTNCAFDT-SJLPKXTDSA-N 1 3 348.466 1.058 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577392035 448285579 /nfs/dbraw/zinc/28/55/79/448285579.db2.gz IBXXIUSTMOJFLB-SJLPKXTDSA-N 1 3 346.475 1.365 20 0 EDADHO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000572596064 448416186 /nfs/dbraw/zinc/41/61/86/448416186.db2.gz FNQATNRBFSRNSN-CRAIPNDOSA-N 1 3 334.460 1.813 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCN(Cc3ccsc3)CC2)C1 ZINC000577995588 448434502 /nfs/dbraw/zinc/43/45/02/448434502.db2.gz CCNNGHXHGMHARU-HNNXBMFYSA-N 1 3 336.505 1.063 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584351485 448495303 /nfs/dbraw/zinc/49/53/03/448495303.db2.gz LQULKOQAZNNNTO-CABCVRRESA-N 1 3 348.491 1.339 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000516925782 448498197 /nfs/dbraw/zinc/49/81/97/448498197.db2.gz FBHWHONWIXDOGZ-HOTGVXAUSA-N 1 3 347.507 1.856 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000578434463 448543398 /nfs/dbraw/zinc/54/33/98/448543398.db2.gz UXBQXNCQCQGAHS-UHFFFAOYSA-N 1 3 334.468 1.583 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153933 448545388 /nfs/dbraw/zinc/54/53/88/448545388.db2.gz LAGIBDZUFJLJOG-XHSDSOJGSA-N 1 3 331.464 1.237 20 0 EDADHO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)cc1 ZINC000573480871 448638527 /nfs/dbraw/zinc/63/85/27/448638527.db2.gz VQKQDJZSWLFAGC-QAPCUYQASA-N 1 3 334.460 1.813 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCCN(C)CC3)CC2)CC1 ZINC000578882175 448662515 /nfs/dbraw/zinc/66/25/15/448662515.db2.gz YGALJECKLBSXHA-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333254 448768874 /nfs/dbraw/zinc/76/88/74/448768874.db2.gz WHWPMVBHMKZJGV-HOTGVXAUSA-N 1 3 338.496 1.258 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000567678001 448733718 /nfs/dbraw/zinc/73/37/18/448733718.db2.gz GZLNMNZDVYBZKH-YJBOKZPZSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccccc1COC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567678001 448733725 /nfs/dbraw/zinc/73/37/25/448733725.db2.gz GZLNMNZDVYBZKH-YJBOKZPZSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccccc1COC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000567678001 448733734 /nfs/dbraw/zinc/73/37/34/448733734.db2.gz GZLNMNZDVYBZKH-YJBOKZPZSA-N 1 3 334.460 1.647 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574023973 448771590 /nfs/dbraw/zinc/77/15/90/448771590.db2.gz GOZTUQQSEBTIES-HKUYNNGSSA-N 1 3 328.460 1.659 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000519476795 448773485 /nfs/dbraw/zinc/77/34/85/448773485.db2.gz MYTJYEMLIHYRJI-HNNXBMFYSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000519476795 448773489 /nfs/dbraw/zinc/77/34/89/448773489.db2.gz MYTJYEMLIHYRJI-HNNXBMFYSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)ccn1 ZINC000529322365 448822687 /nfs/dbraw/zinc/82/26/87/448822687.db2.gz POWQWNNHILXUPD-HNNXBMFYSA-N 1 3 347.463 1.106 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191475 448832089 /nfs/dbraw/zinc/83/20/89/448832089.db2.gz JALRMPYWCIURQH-HZPDHXFCSA-N 1 3 341.521 1.041 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)n2)CC1 ZINC000519748762 448833550 /nfs/dbraw/zinc/83/35/50/448833550.db2.gz QDROTZZMGHPXDM-HNNXBMFYSA-N 1 3 334.468 1.789 20 0 EDADHO O=C(CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000579943879 448915719 /nfs/dbraw/zinc/91/57/19/448915719.db2.gz WQBQQGFKBAYXFJ-MSOLQXFVSA-N 1 3 346.475 1.768 20 0 EDADHO CN(CCC[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000521587435 448998413 /nfs/dbraw/zinc/99/84/13/448998413.db2.gz VBAKNJAQTINSGV-GOSISDBHSA-N 1 3 347.507 1.355 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502272 449035151 /nfs/dbraw/zinc/03/51/51/449035151.db2.gz JGNPMWVHYQZCMF-SOUVJXGZSA-N 1 3 337.439 1.599 20 0 EDADHO COCCN(C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000521455803 448988983 /nfs/dbraw/zinc/98/89/83/448988983.db2.gz TVDGKKGDSSGSIY-RTBURBONSA-N 1 3 341.540 1.514 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@H](N4CCCCC4)C3)c21 ZINC000592960136 449083253 /nfs/dbraw/zinc/08/32/53/449083253.db2.gz YYWPTBFERDOSDX-CABCVRRESA-N 1 3 331.464 1.420 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192900 449062268 /nfs/dbraw/zinc/06/22/68/449062268.db2.gz ZAVUWCGDSUCTRR-IRXDYDNUSA-N 1 3 341.496 1.057 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192900 449062273 /nfs/dbraw/zinc/06/22/73/449062273.db2.gz ZAVUWCGDSUCTRR-IRXDYDNUSA-N 1 3 341.496 1.057 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000604643700 449267935 /nfs/dbraw/zinc/26/79/35/449267935.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)[C@H](C)C1 ZINC000604643700 449267939 /nfs/dbraw/zinc/26/79/39/449267939.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO NC(=O)NC(=O)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000596064015 449342641 /nfs/dbraw/zinc/34/26/41/449342641.db2.gz AICCINDHBYQJQT-MRXNPFEDSA-N 1 3 344.459 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064015 449342646 /nfs/dbraw/zinc/34/26/46/449342646.db2.gz AICCINDHBYQJQT-MRXNPFEDSA-N 1 3 344.459 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064015 449342652 /nfs/dbraw/zinc/34/26/52/449342652.db2.gz AICCINDHBYQJQT-MRXNPFEDSA-N 1 3 344.459 1.463 20 0 EDADHO CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066444 449441388 /nfs/dbraw/zinc/44/13/88/449441388.db2.gz FREVQAPDQZWHQY-QFBILLFUSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066444 449441395 /nfs/dbraw/zinc/44/13/95/449441395.db2.gz FREVQAPDQZWHQY-QFBILLFUSA-N 1 3 337.508 1.556 20 0 EDADHO CN1CCCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000600979092 449630417 /nfs/dbraw/zinc/63/04/17/449630417.db2.gz JOKDOXKXJLOIOZ-GOSISDBHSA-N 1 3 345.491 1.194 20 0 EDADHO Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617504947 449650186 /nfs/dbraw/zinc/65/01/86/449650186.db2.gz QKFKGJOUVGNMHF-RDJZCZTQSA-N 1 3 337.512 1.839 20 0 EDADHO Cc1cc(C)n([C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617504947 449650190 /nfs/dbraw/zinc/65/01/90/449650190.db2.gz QKFKGJOUVGNMHF-RDJZCZTQSA-N 1 3 337.512 1.839 20 0 EDADHO C[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000617505026 449650312 /nfs/dbraw/zinc/65/03/12/449650312.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 1 3 326.529 1.636 20 0 EDADHO CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCCC1 ZINC000617504325 449651151 /nfs/dbraw/zinc/65/11/51/449651151.db2.gz PYIKRAPVRPNICU-WMLDXEAASA-N 1 3 340.512 1.070 20 0 EDADHO CC(=O)N[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCCC1 ZINC000617504325 449651158 /nfs/dbraw/zinc/65/11/58/449651158.db2.gz PYIKRAPVRPNICU-WMLDXEAASA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)CCCC2 ZINC000617506162 449652436 /nfs/dbraw/zinc/65/24/36/449652436.db2.gz COKXYEKHSLCGOK-HNNXBMFYSA-N 1 3 332.492 1.962 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)CCCC2 ZINC000617506162 449652442 /nfs/dbraw/zinc/65/24/42/449652442.db2.gz COKXYEKHSLCGOK-HNNXBMFYSA-N 1 3 332.492 1.962 20 0 EDADHO CCOc1nc(C)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617507496 449658784 /nfs/dbraw/zinc/65/87/84/449658784.db2.gz YZSRREGYZVQOPQ-HNNXBMFYSA-N 1 3 336.480 1.791 20 0 EDADHO CCOc1nc(C)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617507496 449658785 /nfs/dbraw/zinc/65/87/85/449658785.db2.gz YZSRREGYZVQOPQ-HNNXBMFYSA-N 1 3 336.480 1.791 20 0 EDADHO C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503582 449647405 /nfs/dbraw/zinc/64/74/05/449647405.db2.gz PIEVDYRCPUGEAB-JKSUJKDBSA-N 1 3 348.491 1.193 20 0 EDADHO C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503582 449647420 /nfs/dbraw/zinc/64/74/20/449647420.db2.gz PIEVDYRCPUGEAB-JKSUJKDBSA-N 1 3 348.491 1.193 20 0 EDADHO CS[C@@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000602800826 449819344 /nfs/dbraw/zinc/81/93/44/449819344.db2.gz VQAJQKNAHDBGEV-IPMKNSEASA-N 1 3 349.544 1.601 20 0 EDADHO CS[C@@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000602800826 449819349 /nfs/dbraw/zinc/81/93/49/449819349.db2.gz VQAJQKNAHDBGEV-IPMKNSEASA-N 1 3 349.544 1.601 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601328649 449836856 /nfs/dbraw/zinc/83/68/56/449836856.db2.gz WRTIITQMRDDOKT-CVEARBPZSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037350 /nfs/dbraw/zinc/03/73/50/450037350.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037353 /nfs/dbraw/zinc/03/73/53/450037353.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3=CCCOC3)CC2)CC1 ZINC000618385438 450188367 /nfs/dbraw/zinc/18/83/67/450188367.db2.gz YORAKQWJFYCHLU-UHFFFAOYSA-N 1 3 349.519 1.988 20 0 EDADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000616781052 450483463 /nfs/dbraw/zinc/48/34/63/450483463.db2.gz DEKJEZUWPCLMGN-KLHDSHLOSA-N 1 3 340.512 1.210 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000623621262 450553436 /nfs/dbraw/zinc/55/34/36/450553436.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000623621262 450553437 /nfs/dbraw/zinc/55/34/37/450553437.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 1 3 340.512 1.517 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623663918 450562674 /nfs/dbraw/zinc/56/26/74/450562674.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623663918 450562676 /nfs/dbraw/zinc/56/26/76/450562676.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000621154999 450603739 /nfs/dbraw/zinc/60/37/39/450603739.db2.gz WRLWFSSVHYAOOP-LJQANCHMSA-N 1 3 344.503 1.504 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074213 450659218 /nfs/dbraw/zinc/65/92/18/450659218.db2.gz MRKWQMVFPACREU-SFHVURJKSA-N 1 3 330.476 1.963 20 0 EDADHO O[C@@H](CNCc1ccc(CN2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562364 450737059 /nfs/dbraw/zinc/73/70/59/450737059.db2.gz BQQRGAQXRYPOLQ-FQEVSTJZSA-N 1 3 347.503 1.190 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CCCN(C)C)C1 ZINC000631758044 450753475 /nfs/dbraw/zinc/75/34/75/450753475.db2.gz PPCQAHVKRUBCMO-HOTGVXAUSA-N 1 3 333.542 1.616 20 0 EDADHO c1cc(CN2CCO[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)ccn1 ZINC000624263800 450770150 /nfs/dbraw/zinc/77/01/50/450770150.db2.gz ONGAJJXAYLNBOB-IBGZPJMESA-N 1 3 330.476 1.499 20 0 EDADHO CN(CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CCC1 ZINC000629964990 450922497 /nfs/dbraw/zinc/92/24/97/450922497.db2.gz NNXLAPMCQDFWLJ-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO C[NH+](C)CC[C@@H](NS(=O)(=O)CCCN1CCCC1)C(C)(C)C ZINC000631980222 450937489 /nfs/dbraw/zinc/93/74/89/450937489.db2.gz APONMOOUURKXAI-OAHLLOKOSA-N 1 3 333.542 1.758 20 0 EDADHO Cc1ncc(C(F)(F)F)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000635503314 450997682 /nfs/dbraw/zinc/99/76/82/450997682.db2.gz SPGDDQLVKASICI-UHFFFAOYSA-N 1 3 346.397 1.974 20 0 EDADHO [NH3+]C1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000626917658 451003520 /nfs/dbraw/zinc/00/35/20/451003520.db2.gz FDLJKMDLIVVQPL-UHFFFAOYSA-N 1 3 346.475 1.458 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562084 451060900 /nfs/dbraw/zinc/06/09/00/451060900.db2.gz VVFWSHHCZVIVSA-KRWDZBQOSA-N 1 3 336.524 1.252 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000627038811 451095303 /nfs/dbraw/zinc/09/53/03/451095303.db2.gz OJGPCJSWWDIDAI-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551584 451048743 /nfs/dbraw/zinc/04/87/43/451048743.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 1 3 334.508 1.288 20 0 EDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551584 451048747 /nfs/dbraw/zinc/04/87/47/451048747.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 1 3 334.508 1.288 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635551584 451048753 /nfs/dbraw/zinc/04/87/53/451048753.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000627238848 451204589 /nfs/dbraw/zinc/20/45/89/451204589.db2.gz PTXZSIUSYPNNCK-MAUKXSAKSA-N 1 3 345.491 1.480 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248041 451207396 /nfs/dbraw/zinc/20/73/96/451207396.db2.gz DDOMMDOLQLXNGW-SJORKVTESA-N 1 3 331.464 1.439 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CN1CCNCC1 ZINC000638118623 451285951 /nfs/dbraw/zinc/28/59/51/451285951.db2.gz BQTBXZLTXLPTHQ-IAGOWNOFSA-N 1 3 344.503 1.164 20 0 EDADHO Cn1cc(CC[N@H+](C)CCC2CCN(c3ccncc3)CC2)nn1 ZINC000625282136 451259137 /nfs/dbraw/zinc/25/91/37/451259137.db2.gz CPVMAUHBZWBCGU-UHFFFAOYSA-N 1 3 328.464 1.991 20 0 EDADHO Cn1cc(CC[N@@H+](C)CCC2CCN(c3ccncc3)CC2)nn1 ZINC000625282136 451259140 /nfs/dbraw/zinc/25/91/40/451259140.db2.gz CPVMAUHBZWBCGU-UHFFFAOYSA-N 1 3 328.464 1.991 20 0 EDADHO CCC(CC)(CNC(=O)CN1CCNCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000638111104 451278001 /nfs/dbraw/zinc/27/80/01/451278001.db2.gz BYQZKCOLRWXACH-KRWDZBQOSA-N 1 3 346.519 1.917 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)CN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000638111778 451279989 /nfs/dbraw/zinc/27/99/89/451279989.db2.gz HJOYHCBRIMFKNR-HKUYNNGSSA-N 1 3 344.503 1.403 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000638122108 451291951 /nfs/dbraw/zinc/29/19/51/451291951.db2.gz LJLWMLXQRBODOH-MRXNPFEDSA-N 1 3 347.434 1.833 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000638138163 451312547 /nfs/dbraw/zinc/31/25/47/451312547.db2.gz WUXDBYMPVHSCNY-GOSISDBHSA-N 1 3 342.487 1.753 20 0 EDADHO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCN1C1CCCC1 ZINC000635866042 451312674 /nfs/dbraw/zinc/31/26/74/451312674.db2.gz AUURTDMMESYJCL-CRAIPNDOSA-N 1 3 335.492 1.715 20 0 EDADHO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCN1C1CCCC1 ZINC000635866042 451312680 /nfs/dbraw/zinc/31/26/80/451312680.db2.gz AUURTDMMESYJCL-CRAIPNDOSA-N 1 3 335.492 1.715 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cn1 ZINC000638225087 451366847 /nfs/dbraw/zinc/36/68/47/451366847.db2.gz WIEPVGSNFMNRSX-UHFFFAOYSA-N 1 3 331.395 1.482 20 0 EDADHO C[C@@H](CNC(=O)Nc1cc(CN(C)C)ccn1)C[NH+]1CCN(C)CC1 ZINC000640563146 451407824 /nfs/dbraw/zinc/40/78/24/451407824.db2.gz QHNIKCFTKMRTDB-HNNXBMFYSA-N 1 3 348.495 1.148 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1(O)CCC1 ZINC000630879417 451457681 /nfs/dbraw/zinc/45/76/81/451457681.db2.gz JTDHKPQJSOLJNO-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCC1(O)CCC1 ZINC000630879417 451457685 /nfs/dbraw/zinc/45/76/85/451457685.db2.gz JTDHKPQJSOLJNO-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO CC1CC[NH+](CCCCNCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638371705 451468579 /nfs/dbraw/zinc/46/85/79/451468579.db2.gz PCKOHQUJPZSBPM-UHFFFAOYSA-N 1 3 339.505 1.936 20 0 EDADHO CC(=O)N(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000640680060 451508166 /nfs/dbraw/zinc/50/81/66/451508166.db2.gz YVBAVQOSLUGOAH-INIZCTEOSA-N 1 3 348.491 1.428 20 0 EDADHO CC(=O)N(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000640680060 451508174 /nfs/dbraw/zinc/50/81/74/451508174.db2.gz YVBAVQOSLUGOAH-INIZCTEOSA-N 1 3 348.491 1.428 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505020 451549330 /nfs/dbraw/zinc/54/93/30/451549330.db2.gz IZCSVBIOUREPDB-GOSISDBHSA-N 1 3 342.487 1.843 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000638526469 451558962 /nfs/dbraw/zinc/55/89/62/451558962.db2.gz KULXJWGNUAZEDP-CQSZACIVSA-N 1 3 332.448 1.306 20 0 EDADHO COCCc1ncc(CNCCN2CCC([NH+](C)C)CC2)s1 ZINC000631082345 451573422 /nfs/dbraw/zinc/57/34/22/451573422.db2.gz DWJQIOUJHFEQEZ-UHFFFAOYSA-N 1 3 326.510 1.448 20 0 EDADHO CO[C@@H](CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000638570947 451582038 /nfs/dbraw/zinc/58/20/38/451582038.db2.gz DITJISSGAHKQAZ-IRXDYDNUSA-N 1 3 325.497 1.759 20 0 EDADHO CO[C@@H](CNCCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000638570947 451582045 /nfs/dbraw/zinc/58/20/45/451582045.db2.gz DITJISSGAHKQAZ-IRXDYDNUSA-N 1 3 325.497 1.759 20 0 EDADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634979511 451635767 /nfs/dbraw/zinc/63/57/67/451635767.db2.gz GNXAMFTXRKJIIT-MRXNPFEDSA-N 1 3 331.460 1.918 20 0 EDADHO CO[C@]1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCOC1 ZINC000638717684 451665056 /nfs/dbraw/zinc/66/50/56/451665056.db2.gz BFJNPAPEOZIAMW-IBGZPJMESA-N 1 3 334.460 1.538 20 0 EDADHO C[C@@H]1C[C@H](CCNCc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797153 451694297 /nfs/dbraw/zinc/69/42/97/451694297.db2.gz PASUQGRKPNXSIY-ZBFHGGJFSA-N 1 3 340.475 1.692 20 0 EDADHO C[C@@H]1C[C@H](CCNCc2cnc(N)nc2N)C[N@H+]1Cc1ccccc1 ZINC000638797153 451694301 /nfs/dbraw/zinc/69/43/01/451694301.db2.gz PASUQGRKPNXSIY-ZBFHGGJFSA-N 1 3 340.475 1.692 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)CC1 ZINC000632961480 451670197 /nfs/dbraw/zinc/67/01/97/451670197.db2.gz ROTYCJJQPWAXBR-CYBMUJFWSA-N 1 3 334.468 1.741 20 0 EDADHO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccco1 ZINC000637139404 451739284 /nfs/dbraw/zinc/73/92/84/451739284.db2.gz JYQAULOTGBSQBQ-ZNMIVQPWSA-N 1 3 338.452 1.075 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CNCc4ccccc43)cn2)CC1 ZINC000638978024 451744807 /nfs/dbraw/zinc/74/48/07/451744807.db2.gz RKLHCMKIRXYQRW-GOSISDBHSA-N 1 3 339.443 1.975 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(N3CCNCC3)ccn2)cc1 ZINC000638986127 451746354 /nfs/dbraw/zinc/74/63/54/451746354.db2.gz VRVVOKJGQJMVLJ-CYBMUJFWSA-N 1 3 325.416 1.763 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)CC1 ZINC000637197622 451753688 /nfs/dbraw/zinc/75/36/88/451753688.db2.gz JWRQWLMSAMAVND-FUCXHRTASA-N 1 3 346.479 1.897 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn2)CC1 ZINC000637197622 451753689 /nfs/dbraw/zinc/75/36/89/451753689.db2.gz JWRQWLMSAMAVND-FUCXHRTASA-N 1 3 346.479 1.897 20 0 EDADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCN(c2ccncc2)CC1 ZINC000641168239 451768089 /nfs/dbraw/zinc/76/80/89/451768089.db2.gz QDJSUFIVSPJFSF-UHFFFAOYSA-N 1 3 337.427 1.717 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641214241 451783613 /nfs/dbraw/zinc/78/36/13/451783613.db2.gz AOGOSDARGXZIAA-QGZVFWFLSA-N 1 3 329.448 1.238 20 0 EDADHO CC(C)[C@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229376 451790661 /nfs/dbraw/zinc/79/06/61/451790661.db2.gz HZJPWYWFLXKKBO-ROUUACIJSA-N 1 3 329.448 1.571 20 0 EDADHO CC(C)[C@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229376 451790662 /nfs/dbraw/zinc/79/06/62/451790662.db2.gz HZJPWYWFLXKKBO-ROUUACIJSA-N 1 3 329.448 1.571 20 0 EDADHO CN(Cc1ccccc1)C[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000644525671 451841053 /nfs/dbraw/zinc/84/10/53/451841053.db2.gz UBKPJZUROWKPJC-HXUWFJFHSA-N 1 3 331.504 1.943 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000642439319 451878491 /nfs/dbraw/zinc/87/84/91/451878491.db2.gz BHKWEZOHOVAZRH-HNNXBMFYSA-N 1 3 338.496 1.145 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCO1 ZINC000646847549 451885538 /nfs/dbraw/zinc/88/55/38/451885538.db2.gz ABCGEVMALPJZEC-QAPCUYQASA-N 1 3 331.460 1.473 20 0 EDADHO CN(CCc1cnccn1)[C@@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639547069 451938548 /nfs/dbraw/zinc/93/85/48/451938548.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 1 3 340.475 1.838 20 0 EDADHO CN(CCc1cnccn1)[C@@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639547069 451938552 /nfs/dbraw/zinc/93/85/52/451938552.db2.gz PSXVPGJLNQCDGK-LJQANCHMSA-N 1 3 340.475 1.838 20 0 EDADHO CN1CCN(C[C@@H]2CN(CC[N@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296093 451970861 /nfs/dbraw/zinc/97/08/61/451970861.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 1 3 346.519 1.067 20 0 EDADHO CN1CCN(C[C@@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296093 451970863 /nfs/dbraw/zinc/97/08/63/451970863.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 1 3 346.519 1.067 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](CC(C)C)CN(C)C)cnn1C ZINC000649298942 451976873 /nfs/dbraw/zinc/97/68/73/451976873.db2.gz MKZFOQOOPHCABK-UAGQMJEPSA-N 1 3 335.496 1.124 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000649313815 451991702 /nfs/dbraw/zinc/99/17/02/451991702.db2.gz YPQHQOFRNQLNGY-BPUTZDHNSA-N 1 3 344.459 1.320 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649321582 452000602 /nfs/dbraw/zinc/00/06/02/452000602.db2.gz CRWCBCGJFUKHPQ-WMZOPIPTSA-N 1 3 333.476 1.661 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000642976689 452005018 /nfs/dbraw/zinc/00/50/18/452005018.db2.gz MTJKYYYIGNGFMK-WMLDXEAASA-N 1 3 344.459 1.019 20 0 EDADHO CN1CCC[C@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327002 452007153 /nfs/dbraw/zinc/00/71/53/452007153.db2.gz NIUSDAJFGLERTC-JKSUJKDBSA-N 1 3 331.464 1.047 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649344745 452024380 /nfs/dbraw/zinc/02/43/80/452024380.db2.gz OEMJGMZEORZRSS-INIZCTEOSA-N 1 3 327.472 1.673 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649344745 452024384 /nfs/dbraw/zinc/02/43/84/452024384.db2.gz OEMJGMZEORZRSS-INIZCTEOSA-N 1 3 327.472 1.673 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649344746 452024628 /nfs/dbraw/zinc/02/46/28/452024628.db2.gz OEMJGMZEORZRSS-MRXNPFEDSA-N 1 3 327.472 1.673 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(N)Cc3ccccc3C2)C1 ZINC000649344746 452024632 /nfs/dbraw/zinc/02/46/32/452024632.db2.gz OEMJGMZEORZRSS-MRXNPFEDSA-N 1 3 327.472 1.673 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)c1cccc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000649351409 452035211 /nfs/dbraw/zinc/03/52/11/452035211.db2.gz VMKFAEOLIKIDOD-BBRMVZONSA-N 1 3 338.883 1.340 20 0 EDADHO C[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N(C)C ZINC000649368902 452045672 /nfs/dbraw/zinc/04/56/72/452045672.db2.gz RMCHOCVBNLSGJU-ZDUSSCGKSA-N 1 3 333.480 1.533 20 0 EDADHO Cc1nn(C)c(C)c1CN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649414516 452075262 /nfs/dbraw/zinc/07/52/62/452075262.db2.gz DQKYAEUYGAXKFU-UHFFFAOYSA-N 1 3 333.524 1.934 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418226 452080340 /nfs/dbraw/zinc/08/03/40/452080340.db2.gz LCZMXBXGIYKPAE-RYRKJORJSA-N 1 3 345.491 1.627 20 0 EDADHO C[NH+]1CCC2(CCN(CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000639755211 452095111 /nfs/dbraw/zinc/09/51/11/452095111.db2.gz IDSPYLCLDFVBPR-UHFFFAOYSA-N 1 3 327.428 1.700 20 0 EDADHO OCCN(Cc1cncc(C[N@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000649470118 452099166 /nfs/dbraw/zinc/09/91/66/452099166.db2.gz PCYKQPBVBSJCCM-UHFFFAOYSA-N 1 3 333.476 1.775 20 0 EDADHO OCCN(Cc1cncc(C[N@@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000649470118 452099170 /nfs/dbraw/zinc/09/91/70/452099170.db2.gz PCYKQPBVBSJCCM-UHFFFAOYSA-N 1 3 333.476 1.775 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846730 452113285 /nfs/dbraw/zinc/11/32/85/452113285.db2.gz YPSUHGXUUBIEIS-MSOLQXFVSA-N 1 3 332.492 1.470 20 0 EDADHO CCCN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645146109 452176396 /nfs/dbraw/zinc/17/63/96/452176396.db2.gz DLTBRPUJXRFUBB-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CCCN(C(=O)NCC(C)(C)N1CCN(C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645146109 452176404 /nfs/dbraw/zinc/17/64/04/452176404.db2.gz DLTBRPUJXRFUBB-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455480 452232949 /nfs/dbraw/zinc/23/29/49/452232949.db2.gz JYGUAGDYDPFDPV-QRVBRYPASA-N 1 3 338.540 1.293 20 0 EDADHO COc1ccc(-c2n[nH]cc2CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647492883 452236468 /nfs/dbraw/zinc/23/64/68/452236468.db2.gz GCEVRECLWHXLRR-UHFFFAOYSA-N 1 3 329.448 1.422 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451763 452246979 /nfs/dbraw/zinc/24/69/79/452246979.db2.gz WEOYZSBSERQORR-SPYBWZPUSA-N 1 3 329.444 1.732 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)[nH]1 ZINC000655459018 452252795 /nfs/dbraw/zinc/25/27/95/452252795.db2.gz YFKKJPRVIOVLKF-GUYCJALGSA-N 1 3 326.404 1.259 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457746 452311044 /nfs/dbraw/zinc/31/10/44/452311044.db2.gz KFFATODAFKORKV-MSOLQXFVSA-N 1 3 334.508 1.892 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645340423 452317473 /nfs/dbraw/zinc/31/74/73/452317473.db2.gz RBEGAGPKPLRXJO-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645340423 452317483 /nfs/dbraw/zinc/31/74/83/452317483.db2.gz RBEGAGPKPLRXJO-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO NC[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C(F)(F)F ZINC000655515797 452326188 /nfs/dbraw/zinc/32/61/88/452326188.db2.gz LGQXNYRHABNHEC-AWEZNQCLSA-N 1 3 329.366 1.848 20 0 EDADHO CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H]1C ZINC000665764137 452347809 /nfs/dbraw/zinc/34/78/09/452347809.db2.gz WANBDRAQLBMAIU-IKGGRYGDSA-N 1 3 342.528 1.715 20 0 EDADHO CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H]1C ZINC000665764137 452347814 /nfs/dbraw/zinc/34/78/14/452347814.db2.gz WANBDRAQLBMAIU-IKGGRYGDSA-N 1 3 342.528 1.715 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000659493074 452355481 /nfs/dbraw/zinc/35/54/81/452355481.db2.gz OWCYHUVADBEGKM-PBHICJAKSA-N 1 3 336.480 1.984 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000638069053 452374145 /nfs/dbraw/zinc/37/41/45/452374145.db2.gz GVMSESCPAOTZQM-MJGOQNOKSA-N 1 3 331.460 1.318 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638073563 452382701 /nfs/dbraw/zinc/38/27/01/452382701.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638073563 452382713 /nfs/dbraw/zinc/38/27/13/452382713.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 1 3 330.476 1.189 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663784164 452512628 /nfs/dbraw/zinc/51/26/28/452512628.db2.gz PWTLFXZJCJPTEG-WCVJEAGWSA-N 1 3 340.512 1.059 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655690062 452512751 /nfs/dbraw/zinc/51/27/51/452512751.db2.gz UDEJWWJUSBSORB-IEBWSBKVSA-N 1 3 338.540 1.245 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346649 452523503 /nfs/dbraw/zinc/52/35/03/452523503.db2.gz CQFQPHIFPSFBOJ-XDNAFOTISA-N 1 3 337.508 1.996 20 0 EDADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000652351218 452528294 /nfs/dbraw/zinc/52/82/94/452528294.db2.gz NKYCAOWQRJECMY-UGSOOPFHSA-N 1 3 331.416 1.805 20 0 EDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000652351218 452528302 /nfs/dbraw/zinc/52/83/02/452528302.db2.gz NKYCAOWQRJECMY-UGSOOPFHSA-N 1 3 331.416 1.805 20 0 EDADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC000652360186 452542226 /nfs/dbraw/zinc/54/22/26/452542226.db2.gz CGHMRMWXICGPSA-BRWVUGGUSA-N 1 3 325.497 1.993 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCCSCC2)(N2CCOCC2)CC1 ZINC000658034048 452695747 /nfs/dbraw/zinc/69/57/47/452695747.db2.gz KCFHDUDBGPIYTL-MRXNPFEDSA-N 1 3 327.538 1.658 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(CO)c1 ZINC000664005051 452705374 /nfs/dbraw/zinc/70/53/74/452705374.db2.gz BCLYMORWMZBGNH-HNNXBMFYSA-N 1 3 336.480 1.250 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(CO)c1 ZINC000664005051 452705385 /nfs/dbraw/zinc/70/53/85/452705385.db2.gz BCLYMORWMZBGNH-HNNXBMFYSA-N 1 3 336.480 1.250 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655959577 452741043 /nfs/dbraw/zinc/74/10/43/452741043.db2.gz UUFRTINCQNIFEY-IRXDYDNUSA-N 1 3 344.459 1.478 20 0 EDADHO NC(C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000645786960 452787696 /nfs/dbraw/zinc/78/76/96/452787696.db2.gz NRBBRRUBOSRBGL-UONOGXRCSA-N 1 3 329.366 1.904 20 0 EDADHO NC(C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000645786960 452787705 /nfs/dbraw/zinc/78/77/05/452787705.db2.gz NRBBRRUBOSRBGL-UONOGXRCSA-N 1 3 329.366 1.904 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000652698647 452846805 /nfs/dbraw/zinc/84/68/05/452846805.db2.gz HLAYHLMZNLJSLE-MRXNPFEDSA-N 1 3 340.512 1.104 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000652698647 452846815 /nfs/dbraw/zinc/84/68/15/452846815.db2.gz HLAYHLMZNLJSLE-MRXNPFEDSA-N 1 3 340.512 1.104 20 0 EDADHO CC(C)c1nc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc(N(C)C)n1 ZINC000664196755 452869175 /nfs/dbraw/zinc/86/91/75/452869175.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 1 3 337.516 1.745 20 0 EDADHO CC(C)c1nc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc(N(C)C)n1 ZINC000664196755 452869183 /nfs/dbraw/zinc/86/91/83/452869183.db2.gz NMYILUCQOQHTNI-AWEZNQCLSA-N 1 3 337.516 1.745 20 0 EDADHO CCCN1CCC([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983100 452892540 /nfs/dbraw/zinc/89/25/40/452892540.db2.gz DLEARKUEUCXGAX-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO CCCN1CCC([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983100 452892547 /nfs/dbraw/zinc/89/25/47/452892547.db2.gz DLEARKUEUCXGAX-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO Cn1nnc2c1CC[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000656199839 452955962 /nfs/dbraw/zinc/95/59/62/452955962.db2.gz FLWZBTSMDJMXMQ-CRFBAAHOSA-N 1 3 339.443 1.518 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)ccc1CN(C)C ZINC000658429754 452959690 /nfs/dbraw/zinc/95/96/90/452959690.db2.gz WFDDHEGBCZLBRT-CQSZACIVSA-N 1 3 334.464 1.452 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968935 /nfs/dbraw/zinc/96/89/35/452968935.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 1 3 343.471 1.440 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968942 /nfs/dbraw/zinc/96/89/42/452968942.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 1 3 343.471 1.440 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664303096 452980814 /nfs/dbraw/zinc/98/08/14/452980814.db2.gz KVEJLIGBLIMNGH-OAHLLOKOSA-N 1 3 328.501 1.515 20 0 EDADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CCC4(CNC4)O3)C2)nc1 ZINC000662259787 452988472 /nfs/dbraw/zinc/98/84/72/452988472.db2.gz BHZTUCBMDBXPGA-HZPDHXFCSA-N 1 3 344.459 1.562 20 0 EDADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@H]3CCC4(CNC4)O3)C2)nc1 ZINC000662259787 452988484 /nfs/dbraw/zinc/98/84/84/452988484.db2.gz BHZTUCBMDBXPGA-HZPDHXFCSA-N 1 3 344.459 1.562 20 0 EDADHO C[C@@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664329043 453002335 /nfs/dbraw/zinc/00/23/35/453002335.db2.gz USGSCYQMOVFNSO-HOTGVXAUSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@@H](Cc1ccncc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664329043 453002347 /nfs/dbraw/zinc/00/23/47/453002347.db2.gz USGSCYQMOVFNSO-HOTGVXAUSA-N 1 3 335.496 1.584 20 0 EDADHO O=c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294268 453016271 /nfs/dbraw/zinc/01/62/71/453016271.db2.gz JZGISBRKYCUYLO-AWEZNQCLSA-N 1 3 332.473 1.968 20 0 EDADHO N[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1F ZINC000662323666 453040184 /nfs/dbraw/zinc/04/01/84/453040184.db2.gz OQMXVCODGDXTBC-QZTJIDSGSA-N 1 3 348.466 1.270 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000664406101 453067904 /nfs/dbraw/zinc/06/79/04/453067904.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 1 3 339.528 1.040 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000666770262 453134421 /nfs/dbraw/zinc/13/44/21/453134421.db2.gz QJRZXJZSCNECTJ-MRXNPFEDSA-N 1 3 330.432 1.171 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139633 453148920 /nfs/dbraw/zinc/14/89/20/453148920.db2.gz JCOQXBIARLBOKH-HLLBOEOZSA-N 1 3 343.537 1.100 20 0 EDADHO CC(C)CN1CCO[C@@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449055 453190824 /nfs/dbraw/zinc/19/08/24/453190824.db2.gz XDSHFJYKWSJTBT-QGZVFWFLSA-N 1 3 329.448 1.761 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000655094762 453214880 /nfs/dbraw/zinc/21/48/80/453214880.db2.gz YYTDKQUSEKJVHT-ROUUACIJSA-N 1 3 333.476 1.665 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000655094762 453214886 /nfs/dbraw/zinc/21/48/86/453214886.db2.gz YYTDKQUSEKJVHT-ROUUACIJSA-N 1 3 333.476 1.665 20 0 EDADHO [NH3+]CCc1ccccc1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000653047815 453231807 /nfs/dbraw/zinc/23/18/07/453231807.db2.gz VZLNAVAQSFVWFB-UHFFFAOYSA-N 1 3 325.416 1.245 20 0 EDADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cn[n-]c1[C@@H]1CC[NH2+]C1 ZINC000662517491 453234915 /nfs/dbraw/zinc/23/49/15/453234915.db2.gz BXFDHORIMZTGFC-LLVKDONJSA-N 1 3 346.460 1.662 20 0 EDADHO C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1=CCN(C)CC1 ZINC000664628269 453265849 /nfs/dbraw/zinc/26/58/49/453265849.db2.gz GPGZHVHWOQBASZ-RDJZCZTQSA-N 1 3 338.496 1.389 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666973708 453290468 /nfs/dbraw/zinc/29/04/68/453290468.db2.gz YTABWIVNFFZXHE-DLBZAZTESA-N 1 3 338.496 1.412 20 0 EDADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000653111131 453297677 /nfs/dbraw/zinc/29/76/77/453297677.db2.gz FMHRSEHFJYLELV-ROUUACIJSA-N 1 3 332.492 1.388 20 0 EDADHO CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000666978711 453298682 /nfs/dbraw/zinc/29/86/82/453298682.db2.gz BYYHMCVQRCWZDC-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666978711 453298693 /nfs/dbraw/zinc/29/86/93/453298693.db2.gz BYYHMCVQRCWZDC-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323702 /nfs/dbraw/zinc/32/37/02/453323702.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323705 /nfs/dbraw/zinc/32/37/05/453323705.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 1 3 336.524 1.344 20 0 EDADHO CN(C)C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150671 453338636 /nfs/dbraw/zinc/33/86/36/453338636.db2.gz JZHLBPQFEAJLOL-CABCVRRESA-N 1 3 326.872 1.338 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653152206 453339991 /nfs/dbraw/zinc/33/99/91/453339991.db2.gz FLZYNUCTVOYFFE-QZTJIDSGSA-N 1 3 328.460 1.945 20 0 EDADHO COC[C@@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000662637930 453352850 /nfs/dbraw/zinc/35/28/50/453352850.db2.gz MMJDFOQHPWTFDH-LJQANCHMSA-N 1 3 346.475 1.036 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000662660188 453373846 /nfs/dbraw/zinc/37/38/46/453373846.db2.gz ZNZIFRQPRUEGMO-RTBURBONSA-N 1 3 345.487 1.530 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000662660188 453373855 /nfs/dbraw/zinc/37/38/55/453373855.db2.gz ZNZIFRQPRUEGMO-RTBURBONSA-N 1 3 345.487 1.530 20 0 EDADHO CN(C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664265 453378316 /nfs/dbraw/zinc/37/83/16/453378316.db2.gz VYWWGNFWGKCYRL-ZBFHGGJFSA-N 1 3 343.393 1.818 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC)CN2CCCC2)c1 ZINC000667067747 453383263 /nfs/dbraw/zinc/38/32/63/453383263.db2.gz DRPNRCKLJNYARP-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000646444115 453388376 /nfs/dbraw/zinc/38/83/76/453388376.db2.gz KJQIEDRJFDCIFX-ROUUACIJSA-N 1 3 331.460 1.683 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000646444115 453388381 /nfs/dbraw/zinc/38/83/81/453388381.db2.gz KJQIEDRJFDCIFX-ROUUACIJSA-N 1 3 331.460 1.683 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000653214071 453403285 /nfs/dbraw/zinc/40/32/85/453403285.db2.gz FMBUEKFXJVMNCA-TXPKVOOTSA-N 1 3 331.460 1.555 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660570207 453408949 /nfs/dbraw/zinc/40/89/49/453408949.db2.gz GADZZALDUPMLSW-BRWVUGGUSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660570207 453408952 /nfs/dbraw/zinc/40/89/52/453408952.db2.gz GADZZALDUPMLSW-BRWVUGGUSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142998 453435312 /nfs/dbraw/zinc/43/53/12/453435312.db2.gz SKCWZIDCPPZKDQ-XJKSGUPXSA-N 1 3 330.432 1.169 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n(C2CCN(C)CC2)n1 ZINC000667176531 453453780 /nfs/dbraw/zinc/45/37/80/453453780.db2.gz UKEIONUKKFAFAT-UONOGXRCSA-N 1 3 334.468 1.850 20 0 EDADHO NC1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC2(CCC2)C1 ZINC000662746419 453474716 /nfs/dbraw/zinc/47/47/16/453474716.db2.gz LBSYNNGDTRUNFZ-UHFFFAOYSA-N 1 3 335.492 1.751 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000662757703 453496273 /nfs/dbraw/zinc/49/62/73/453496273.db2.gz LPYKAAKVVXEHBY-KZNAEPCWSA-N 1 3 330.476 1.219 20 0 EDADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789237 453524033 /nfs/dbraw/zinc/52/40/33/453524033.db2.gz VJABIGPGEAYMJV-GJZGRUSLSA-N 1 3 334.468 1.149 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655443972 453531988 /nfs/dbraw/zinc/53/19/88/453531988.db2.gz FMXWCVNQWVIWDJ-PKOBYXMFSA-N 1 3 331.460 1.633 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444919 453532143 /nfs/dbraw/zinc/53/21/43/453532143.db2.gz XMMIEADSJXQPSQ-ICSRJNTNSA-N 1 3 327.472 1.941 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444334 453532892 /nfs/dbraw/zinc/53/28/92/453532892.db2.gz BZKYNKCOZFCRCE-ICSRJNTNSA-N 1 3 343.471 1.972 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CCC[NH2+]C1 ZINC000646664119 453549234 /nfs/dbraw/zinc/54/92/34/453549234.db2.gz YHYDMOXZUQLCDO-RYQLBKOJSA-N 1 3 330.476 1.798 20 0 EDADHO CC[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000660786244 453573757 /nfs/dbraw/zinc/57/37/57/453573757.db2.gz IUPNKPBSMBVWFE-PKOBYXMFSA-N 1 3 346.519 1.822 20 0 EDADHO CC[N@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000660786244 453573760 /nfs/dbraw/zinc/57/37/60/453573760.db2.gz IUPNKPBSMBVWFE-PKOBYXMFSA-N 1 3 346.519 1.822 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000659000183 453574752 /nfs/dbraw/zinc/57/47/52/453574752.db2.gz UZGQMCKYZFGTKR-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662859802 453575038 /nfs/dbraw/zinc/57/50/38/453575038.db2.gz OTVLUWSVSMTHOR-ROUUACIJSA-N 1 3 331.460 1.402 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660833949 453596446 /nfs/dbraw/zinc/59/64/46/453596446.db2.gz JSFBCTNCSLXRCD-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044988 453597578 /nfs/dbraw/zinc/59/75/78/453597578.db2.gz UBPLKZUJIHBFSE-DLBZAZTESA-N 1 3 332.448 1.905 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044988 453597583 /nfs/dbraw/zinc/59/75/83/453597583.db2.gz UBPLKZUJIHBFSE-DLBZAZTESA-N 1 3 332.448 1.905 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044991 453598102 /nfs/dbraw/zinc/59/81/02/453598102.db2.gz UBPLKZUJIHBFSE-IAGOWNOFSA-N 1 3 332.448 1.905 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659044991 453598105 /nfs/dbraw/zinc/59/81/05/453598105.db2.gz UBPLKZUJIHBFSE-IAGOWNOFSA-N 1 3 332.448 1.905 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000665240854 453620621 /nfs/dbraw/zinc/62/06/21/453620621.db2.gz ULJGFERAHQFCSK-AYOQOUSVSA-N 1 3 333.476 1.110 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659097572 453629908 /nfs/dbraw/zinc/62/99/08/453629908.db2.gz ADEMMYFONYSNMK-UHFFFAOYSA-N 1 3 332.448 1.117 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCCO1 ZINC000665270315 453631247 /nfs/dbraw/zinc/63/12/47/453631247.db2.gz VXEFVDKPIGMPLD-YESZJQIVSA-N 1 3 342.528 1.905 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCCO1 ZINC000665270315 453631252 /nfs/dbraw/zinc/63/12/52/453631252.db2.gz VXEFVDKPIGMPLD-YESZJQIVSA-N 1 3 342.528 1.905 20 0 EDADHO COCc1csc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000657349474 453771029 /nfs/dbraw/zinc/77/10/29/453771029.db2.gz IGBVBOBGYZQOSM-AWEZNQCLSA-N 1 3 325.478 1.572 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000665637425 453777810 /nfs/dbraw/zinc/77/78/10/453777810.db2.gz CLAOIBCBGHRADO-JKSUJKDBSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000665637425 453777813 /nfs/dbraw/zinc/77/78/13/453777813.db2.gz CLAOIBCBGHRADO-JKSUJKDBSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661397952 453809022 /nfs/dbraw/zinc/80/90/22/453809022.db2.gz SATYVSYMFGPGHP-INIZCTEOSA-N 1 3 331.464 1.786 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000673177775 486936592 /nfs/dbraw/zinc/93/65/92/486936592.db2.gz DJNNJMLOVAIOFT-KRWDZBQOSA-N 1 3 331.464 1.788 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccncc2)CC1 ZINC000673177775 486936596 /nfs/dbraw/zinc/93/65/96/486936596.db2.gz DJNNJMLOVAIOFT-KRWDZBQOSA-N 1 3 331.464 1.788 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667802631 486973010 /nfs/dbraw/zinc/97/30/10/486973010.db2.gz XGCBRLHXTOVISP-DYVFJYSZSA-N 1 3 329.448 1.818 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000667812456 486977125 /nfs/dbraw/zinc/97/71/25/486977125.db2.gz NCYJOJSHRHGJLP-GJZGRUSLSA-N 1 3 348.495 1.099 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000667812456 486977128 /nfs/dbraw/zinc/97/71/28/486977128.db2.gz NCYJOJSHRHGJLP-GJZGRUSLSA-N 1 3 348.495 1.099 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667837787 486986749 /nfs/dbraw/zinc/98/67/49/486986749.db2.gz HGRUARJOWREEBN-MRXNPFEDSA-N 1 3 330.432 1.774 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000667837787 486986751 /nfs/dbraw/zinc/98/67/51/486986751.db2.gz HGRUARJOWREEBN-MRXNPFEDSA-N 1 3 330.432 1.774 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000677484672 487099407 /nfs/dbraw/zinc/09/94/07/487099407.db2.gz OCPLNBHWBIKLCO-GOSISDBHSA-N 1 3 347.507 1.308 20 0 EDADHO Cn1cc(CN2CCC(C[NH+]3CCCCCC3)CC2)c(=O)n(C)c1=O ZINC000678138963 487257107 /nfs/dbraw/zinc/25/71/07/487257107.db2.gz FTHZZSAQBCZQCM-UHFFFAOYSA-N 1 3 348.491 1.172 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678296981 487284181 /nfs/dbraw/zinc/28/41/81/487284181.db2.gz CFBVORVBZQGZDI-HDICACEKSA-N 1 3 333.476 1.146 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000678635075 487345929 /nfs/dbraw/zinc/34/59/29/487345929.db2.gz BHGCKBZQQZZOIY-DLBZAZTESA-N 1 3 337.508 1.726 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2ccncc2)CC1 ZINC000675193017 487387387 /nfs/dbraw/zinc/38/73/87/487387387.db2.gz BOTAHIMPRLWYOD-INIZCTEOSA-N 1 3 331.464 1.788 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746415 487440999 /nfs/dbraw/zinc/44/09/99/487440999.db2.gz HIAOALRUQZEQNL-WBVHZDCISA-N 1 3 345.553 1.901 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746415 487441002 /nfs/dbraw/zinc/44/10/02/487441002.db2.gz HIAOALRUQZEQNL-WBVHZDCISA-N 1 3 345.553 1.901 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000675820988 487447600 /nfs/dbraw/zinc/44/76/00/487447600.db2.gz BOBWAPKLUCAALT-UHFFFAOYSA-N 1 3 348.491 1.501 20 0 EDADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048834 487468739 /nfs/dbraw/zinc/46/87/39/487468739.db2.gz VQLLQTPMPHSGIU-YESZJQIVSA-N 1 3 338.496 1.148 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669556098 485559002 /nfs/dbraw/zinc/55/90/02/485559002.db2.gz HBTVYHMAPXEGOA-MSOLQXFVSA-N 1 3 346.475 1.195 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000669139211 485728378 /nfs/dbraw/zinc/72/83/78/485728378.db2.gz KXWYEZDFHQGNDZ-LJQANCHMSA-N 1 3 346.475 1.522 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000236613246 535203760 /nfs/dbraw/zinc/20/37/60/535203760.db2.gz VXVFBOFFYLSCKE-GOSISDBHSA-N 1 3 330.476 1.684 20 0 EDADHO CCN1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902957 535551232 /nfs/dbraw/zinc/55/12/32/535551232.db2.gz YTDZVUFHKILHFW-HZSPNIEDSA-N 1 3 335.452 1.020 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1 ZINC000267088295 535602705 /nfs/dbraw/zinc/60/27/05/535602705.db2.gz JZOZFTKUALJPQG-UHFFFAOYSA-N 1 3 333.476 1.715 20 0 EDADHO CCN1CCN(CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000261653755 535684899 /nfs/dbraw/zinc/68/48/99/535684899.db2.gz DMDDFFXCHABMQF-UHFFFAOYSA-N 1 3 334.439 1.438 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3Cc4ccccc4O3)CC2)CC1 ZINC000195205838 536339667 /nfs/dbraw/zinc/33/96/67/536339667.db2.gz NOTHMEGBANXSGR-IBGZPJMESA-N 1 3 343.471 1.665 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609185 579456610 /nfs/dbraw/zinc/45/66/10/579456610.db2.gz OOSZBBCFSLVEJN-GOSISDBHSA-N 1 3 349.523 1.881 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609185 579456611 /nfs/dbraw/zinc/45/66/11/579456611.db2.gz OOSZBBCFSLVEJN-GOSISDBHSA-N 1 3 349.523 1.881 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734265122 578805431 /nfs/dbraw/zinc/80/54/31/578805431.db2.gz MSFZTAQJLLKFLL-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CCCCC[NH3+])CC1 ZINC000746306701 579586167 /nfs/dbraw/zinc/58/61/67/579586167.db2.gz QZZVCMAMPCGXCD-UHFFFAOYSA-N 1 3 346.519 1.959 20 0 EDADHO C[C@@H](CCN1CCC2(CC1)OCCO2)[NH+]1CCC2(CC1)OCCO2 ZINC000746499425 579598538 /nfs/dbraw/zinc/59/85/38/579598538.db2.gz KGZAQUXWIAOACU-INIZCTEOSA-N 1 3 340.464 1.443 20 0 EDADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366125 579723032 /nfs/dbraw/zinc/72/30/32/579723032.db2.gz UTXSFUURVWPWPZ-LLVKDONJSA-N 1 3 327.366 1.761 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000756815401 579957506 /nfs/dbraw/zinc/95/75/06/579957506.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 1 3 326.554 1.913 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815401 579957507 /nfs/dbraw/zinc/95/75/07/579957507.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 1 3 326.554 1.913 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891809235 590630878 /nfs/dbraw/zinc/63/08/78/590630878.db2.gz NXHLTMJBCSWJHT-OKZBNKHCSA-N 1 3 330.476 1.899 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000891815392 590633272 /nfs/dbraw/zinc/63/32/72/590633272.db2.gz AVZLQYZGBNGHJT-CALCHBBNSA-N 1 3 346.475 1.330 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000891815392 590633276 /nfs/dbraw/zinc/63/32/76/590633276.db2.gz AVZLQYZGBNGHJT-CALCHBBNSA-N 1 3 346.475 1.330 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCN(C)CC1 ZINC000891905391 590680825 /nfs/dbraw/zinc/68/08/25/590680825.db2.gz HKQWXNSGANIVRJ-AWEZNQCLSA-N 1 3 342.553 1.891 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1ccncc1 ZINC000892090759 590794119 /nfs/dbraw/zinc/79/41/19/590794119.db2.gz HYOXNBQREIRFFH-RHSMWYFYSA-N 1 3 331.464 1.819 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000892117965 590808577 /nfs/dbraw/zinc/80/85/77/590808577.db2.gz BAZBWUNVSJLNDL-WBVHZDCISA-N 1 3 330.476 1.951 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CCC1(C)C ZINC000892118513 590809737 /nfs/dbraw/zinc/80/97/37/590809737.db2.gz HARYZCPQSGZTJV-KRWDZBQOSA-N 1 3 330.476 1.999 20 0 EDADHO C[N@H+]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CCC1(C)C ZINC000892118513 590809742 /nfs/dbraw/zinc/80/97/42/590809742.db2.gz HARYZCPQSGZTJV-KRWDZBQOSA-N 1 3 330.476 1.999 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)Cc1ccccc1 ZINC000892263287 590895827 /nfs/dbraw/zinc/89/58/27/590895827.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C)Cc1ccccc1 ZINC000892263287 590895831 /nfs/dbraw/zinc/89/58/31/590895831.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000892306373 590928480 /nfs/dbraw/zinc/92/84/80/590928480.db2.gz YCGAORCJAPMUGY-WOGUSJMUSA-N 1 3 342.487 1.900 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892331259 590957056 /nfs/dbraw/zinc/95/70/56/590957056.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 1 3 330.476 1.725 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892331259 590957060 /nfs/dbraw/zinc/95/70/60/590957060.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 1 3 330.476 1.725 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000891340342 591050149 /nfs/dbraw/zinc/05/01/49/591050149.db2.gz QEKLSBCMQOUTNS-WBVHZDCISA-N 1 3 330.476 1.825 20 0 EDADHO CN(CC1CN(C)C1)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000889406446 591055910 /nfs/dbraw/zinc/05/59/10/591055910.db2.gz RKYBKEJVZMGHFL-UHFFFAOYSA-N 1 3 339.443 1.950 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@@H](O)C3CC3)CC2)CC1 ZINC000892521696 591057223 /nfs/dbraw/zinc/05/72/23/591057223.db2.gz BMGJPRJYUIXHFP-QGZVFWFLSA-N 1 3 338.496 1.005 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000892530796 591061408 /nfs/dbraw/zinc/06/14/08/591061408.db2.gz XWXNKUOUYKVQCZ-FGTMMUONSA-N 1 3 328.460 1.715 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562996 591073706 /nfs/dbraw/zinc/07/37/06/591073706.db2.gz PYVBGMQANPXKNG-KSZLIROESA-N 1 3 345.491 1.815 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891528763 591108129 /nfs/dbraw/zinc/10/81/29/591108129.db2.gz KQTHXTOTCCJZSR-HZPDHXFCSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000891535532 591111565 /nfs/dbraw/zinc/11/15/65/591111565.db2.gz UFTZPJIVZVGLLK-AEFFLSMTSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000891535532 591111568 /nfs/dbraw/zinc/11/15/68/591111568.db2.gz UFTZPJIVZVGLLK-AEFFLSMTSA-N 1 3 332.492 1.943 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000891578727 591133838 /nfs/dbraw/zinc/13/38/38/591133838.db2.gz ZVGYHPUJAUBJSU-ZWKOTPCHSA-N 1 3 328.460 1.484 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578727 591133842 /nfs/dbraw/zinc/13/38/42/591133842.db2.gz ZVGYHPUJAUBJSU-ZWKOTPCHSA-N 1 3 328.460 1.484 20 0 EDADHO CN(C)C1(CNC(=O)N2CCCCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000891597405 591141654 /nfs/dbraw/zinc/14/16/54/591141654.db2.gz ORDVVDJELSQHCK-SFHVURJKSA-N 1 3 344.503 1.999 20 0 EDADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1Cc3ccccc3CN1)C2 ZINC000892790045 591179765 /nfs/dbraw/zinc/17/97/65/591179765.db2.gz XJHUZJLSKHVFFD-SCTDSRPQSA-N 1 3 328.460 1.471 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000891703850 591193134 /nfs/dbraw/zinc/19/31/34/591193134.db2.gz IYJWKWMRICTZOU-LZWOXQAQSA-N 1 3 331.464 1.738 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)[C@H]1c1ccccc1 ZINC000891722359 591198893 /nfs/dbraw/zinc/19/88/93/591198893.db2.gz CLCBRPIFCBLLDF-WNRNVDISSA-N 1 3 328.460 1.968 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000892923615 591226425 /nfs/dbraw/zinc/22/64/25/591226425.db2.gz KSRMGDDVNJQBIF-UHFFFAOYSA-N 1 3 326.485 1.352 20 0 EDADHO COC(=O)c1sccc1CN[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000892947254 591235587 /nfs/dbraw/zinc/23/55/87/591235587.db2.gz ASTCHSNIOPEVOU-AWEZNQCLSA-N 1 3 337.489 1.793 20 0 EDADHO COC(=O)c1sccc1CN[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000892947254 591235589 /nfs/dbraw/zinc/23/55/89/591235589.db2.gz ASTCHSNIOPEVOU-AWEZNQCLSA-N 1 3 337.489 1.793 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000895666673 591246766 /nfs/dbraw/zinc/24/67/66/591246766.db2.gz QIYFZYWZFSUKOT-HNSVSWJLSA-N 1 3 342.553 1.984 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC000895666673 591246769 /nfs/dbraw/zinc/24/67/69/591246769.db2.gz QIYFZYWZFSUKOT-HNSVSWJLSA-N 1 3 342.553 1.984 20 0 EDADHO COC(=O)c1[nH]c2ccccc2c1CNCC1(O)CC[NH+](C)CC1 ZINC000894306532 591273240 /nfs/dbraw/zinc/27/32/40/591273240.db2.gz ZYBXVYGWCRFERV-UHFFFAOYSA-N 1 3 331.416 1.501 20 0 EDADHO CSC1(CNC(=O)C2CN(C3CCOCC3)C2)CC[NH+](C)CC1 ZINC000897798236 591672588 /nfs/dbraw/zinc/67/25/88/591672588.db2.gz ZZOSBDYIZCZLSY-UHFFFAOYSA-N 1 3 341.521 1.041 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2CCCN(c3ccncc3)CC2)CC1 ZINC000899174993 591718841 /nfs/dbraw/zinc/71/88/41/591718841.db2.gz OMCPCCZUWDAKMG-UHFFFAOYSA-N 1 3 332.448 1.231 20 0 EDADHO COCCN(C[C@H]1[C@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417331 591750077 /nfs/dbraw/zinc/75/00/77/591750077.db2.gz YDMADJNGZODMFU-UONOGXRCSA-N 1 3 334.407 1.331 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000900289115 591972998 /nfs/dbraw/zinc/97/29/98/591972998.db2.gz HQZLOWONQNDGAO-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO [NH3+]CCC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1ccccc1 ZINC000902498826 592002841 /nfs/dbraw/zinc/00/28/41/592002841.db2.gz GCNLIHWACXYWQO-HOTGVXAUSA-N 1 3 327.432 1.831 20 0 EDADHO N=C(NOCc1cn(-c2ccccc2)nn1)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810403 592068326 /nfs/dbraw/zinc/06/83/26/592068326.db2.gz RYACJLGIYSFQIR-JKSUJKDBSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCc1cn(-c2ccccc2)nn1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810403 592068328 /nfs/dbraw/zinc/06/83/28/592068328.db2.gz RYACJLGIYSFQIR-JKSUJKDBSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCc1cn(-c2ccccc2)nn1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810403 592068333 /nfs/dbraw/zinc/06/83/33/592068333.db2.gz RYACJLGIYSFQIR-JKSUJKDBSA-N 1 3 342.403 1.129 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000900658975 592083231 /nfs/dbraw/zinc/08/32/31/592083231.db2.gz JZNZLBQITCPAKP-SFHVURJKSA-N 1 3 325.497 1.606 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000900686276 592094146 /nfs/dbraw/zinc/09/41/46/592094146.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 1 3 339.524 1.804 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000900686276 592094149 /nfs/dbraw/zinc/09/41/49/592094149.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 1 3 339.524 1.804 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCCN(C)C1)CC(C)C ZINC000900685453 592094362 /nfs/dbraw/zinc/09/43/62/592094362.db2.gz TUACXXVKCAJOJX-WMZOPIPTSA-N 1 3 327.513 1.706 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)C12CC[NH+](CC1)C2 ZINC000900703393 592098892 /nfs/dbraw/zinc/09/88/92/592098892.db2.gz LQVHJLMQSWDEDQ-UHFFFAOYSA-N 1 3 343.471 1.355 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CCO1 ZINC000900739648 592114259 /nfs/dbraw/zinc/11/42/59/592114259.db2.gz RLHSGHDBYNSDEB-MRXNPFEDSA-N 1 3 330.432 1.693 20 0 EDADHO COc1ccc(CNC(=O)[C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496667 592187638 /nfs/dbraw/zinc/18/76/38/592187638.db2.gz XYVFBBFPYXHGFF-IJEWVQPXSA-N 1 3 349.475 1.625 20 0 EDADHO C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495878 592187665 /nfs/dbraw/zinc/18/76/65/592187665.db2.gz AZGFQZIOJFZPOP-QKPAOTATSA-N 1 3 347.459 1.248 20 0 EDADHO C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508517 592189375 /nfs/dbraw/zinc/18/93/75/592189375.db2.gz JYVIXNVWCWMDKU-IYBDPMFKSA-N 1 3 330.476 1.954 20 0 EDADHO C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508517 592189376 /nfs/dbraw/zinc/18/93/76/592189376.db2.gz JYVIXNVWCWMDKU-IYBDPMFKSA-N 1 3 330.476 1.954 20 0 EDADHO CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000901074268 592224171 /nfs/dbraw/zinc/22/41/71/592224171.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000901074268 592224173 /nfs/dbraw/zinc/22/41/73/592224173.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCCCC2)cc1 ZINC000906646538 592231719 /nfs/dbraw/zinc/23/17/19/592231719.db2.gz SUZJLGFTNGFJEQ-UHFFFAOYSA-N 1 3 346.475 1.811 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000906654505 592237347 /nfs/dbraw/zinc/23/73/47/592237347.db2.gz XJALVFSXRGIUIK-INIZCTEOSA-N 1 3 344.459 1.561 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@@H](CNC[C@]2(C)CCC[NH2+]C2)C1 ZINC000904368989 592239816 /nfs/dbraw/zinc/23/98/16/592239816.db2.gz PFDZQNHZTCIGGF-WMLDXEAASA-N 1 3 327.469 1.602 20 0 EDADHO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@]2(C)CCCNC2)C1 ZINC000904368989 592239818 /nfs/dbraw/zinc/23/98/18/592239818.db2.gz PFDZQNHZTCIGGF-WMLDXEAASA-N 1 3 327.469 1.602 20 0 EDADHO Cc1cc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])n(C2CCN(C)CC2)n1 ZINC000904366811 592242485 /nfs/dbraw/zinc/24/24/85/592242485.db2.gz PYYVFEVYARLEMY-KBXCAEBGSA-N 1 3 346.479 1.803 20 0 EDADHO C[NH+](C)C1CC(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)C1 ZINC000908009218 592260457 /nfs/dbraw/zinc/26/04/57/592260457.db2.gz BFSGTSVUTDUKFA-UHFFFAOYSA-N 1 3 345.487 1.713 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000904470474 592268009 /nfs/dbraw/zinc/26/80/09/592268009.db2.gz XRJLPGDRDGNXJO-AWEZNQCLSA-N 1 3 345.443 1.234 20 0 EDADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCC1 ZINC000906660119 592269841 /nfs/dbraw/zinc/26/98/41/592269841.db2.gz HQGJFOXNYPEESU-UHFFFAOYSA-N 1 3 332.448 1.419 20 0 EDADHO c1ccn2c(c1)nnc2C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732787 592288312 /nfs/dbraw/zinc/28/83/12/592288312.db2.gz HOIPYHNGSBVHAR-APWZRJJASA-N 1 3 341.459 1.677 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000906731797 592298833 /nfs/dbraw/zinc/29/88/33/592298833.db2.gz HYPBEKYLGNUNKA-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000906755734 592316573 /nfs/dbraw/zinc/31/65/73/592316573.db2.gz DSPPCGZGAOPHEV-UHFFFAOYSA-N 1 3 332.448 1.275 20 0 EDADHO [NH3+][C@@H](C[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1)C1CCCC1 ZINC000903782282 592321242 /nfs/dbraw/zinc/32/12/42/592321242.db2.gz IZLQWFZIMRDMAG-RDJZCZTQSA-N 1 3 343.537 1.642 20 0 EDADHO Cn1cc([C@@H]2CSCCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829626 592335547 /nfs/dbraw/zinc/33/55/47/592335547.db2.gz IOWUZJFPWAFQGK-IKGGRYGDSA-N 1 3 336.505 1.669 20 0 EDADHO COc1cccc(C(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903904408 592372609 /nfs/dbraw/zinc/37/26/09/592372609.db2.gz UKQNAGMUELPBTM-ZNXRZULTSA-N 1 3 343.471 1.984 20 0 EDADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)C[C@@]1(O)CCOC1 ZINC000905036867 592374204 /nfs/dbraw/zinc/37/42/04/592374204.db2.gz VYKPKLNFNCDTKN-OALUTQOASA-N 1 3 334.460 1.274 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNC[C@@H]2NCCc3ccccc32)cnn1C ZINC000903920730 592377116 /nfs/dbraw/zinc/37/71/16/592377116.db2.gz WXFXPSASHSNEOY-BEFAXECRSA-N 1 3 327.476 1.323 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905051985 592380764 /nfs/dbraw/zinc/38/07/64/592380764.db2.gz YHUWHSKEOXKHEY-MOPGFXCFSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC000905051985 592380768 /nfs/dbraw/zinc/38/07/68/592380768.db2.gz YHUWHSKEOXKHEY-MOPGFXCFSA-N 1 3 336.476 1.519 20 0 EDADHO N[C@H](C[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926839 592381338 /nfs/dbraw/zinc/38/13/38/592381338.db2.gz UTAAWTMATSCJLU-STQMWFEESA-N 1 3 327.375 1.238 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903931429 592384202 /nfs/dbraw/zinc/38/42/02/592384202.db2.gz DORGOZUPPSKYIO-MAUKXSAKSA-N 1 3 326.448 1.261 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)NCCN1CCCCC1)c1cccnc1 ZINC000905151425 592440219 /nfs/dbraw/zinc/44/02/19/592440219.db2.gz LBOVGTUNYKLRPK-QGZVFWFLSA-N 1 3 333.480 1.860 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000905173332 592454172 /nfs/dbraw/zinc/45/41/72/592454172.db2.gz GFKTYKABIJXWPH-FGTMMUONSA-N 1 3 340.508 1.400 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000905178177 592456393 /nfs/dbraw/zinc/45/63/93/592456393.db2.gz ZXXGCNPVBJFXIK-IKGGRYGDSA-N 1 3 326.481 1.010 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240901 592484905 /nfs/dbraw/zinc/48/49/05/592484905.db2.gz BHWIREOFHGCGCK-MSOLQXFVSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240901 592484907 /nfs/dbraw/zinc/48/49/07/592484907.db2.gz BHWIREOFHGCGCK-MSOLQXFVSA-N 1 3 334.460 1.001 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905293931 592486649 /nfs/dbraw/zinc/48/66/49/592486649.db2.gz BWZCSHSYTWUTNA-GFCCVEGCSA-N 1 3 347.372 1.551 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCC[C@@H](C)C1 ZINC000906645015 592865869 /nfs/dbraw/zinc/86/58/69/592865869.db2.gz IJJVGQHBXXRIIX-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000910859943 592897445 /nfs/dbraw/zinc/89/74/45/592897445.db2.gz GZTOZWOYEMUPCT-IAGOWNOFSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000910859943 592897446 /nfs/dbraw/zinc/89/74/46/592897446.db2.gz GZTOZWOYEMUPCT-IAGOWNOFSA-N 1 3 339.524 1.801 20 0 EDADHO N[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911674252 592979055 /nfs/dbraw/zinc/97/90/55/592979055.db2.gz RMAJAZYILJIPBT-UONOGXRCSA-N 1 3 340.265 1.577 20 0 EDADHO O=C(N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000911291360 592981484 /nfs/dbraw/zinc/98/14/84/592981484.db2.gz FJFHHPRAZATNGG-ZWKOTPCHSA-N 1 3 325.456 1.815 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cn1 ZINC000806729822 593112134 /nfs/dbraw/zinc/11/21/34/593112134.db2.gz WLAAIINRSHQIPC-QGZVFWFLSA-N 1 3 336.455 1.638 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(F)cn1 ZINC000806729822 593112136 /nfs/dbraw/zinc/11/21/36/593112136.db2.gz WLAAIINRSHQIPC-QGZVFWFLSA-N 1 3 336.455 1.638 20 0 EDADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cnnn1-c1ccccc1 ZINC000813326776 593526486 /nfs/dbraw/zinc/52/64/86/593526486.db2.gz AOOWDDCTGMOZLL-INIZCTEOSA-N 1 3 342.491 1.944 20 0 EDADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000813330448 593527290 /nfs/dbraw/zinc/52/72/90/593527290.db2.gz XZXANUYVIVYWSZ-CRAIPNDOSA-N 1 3 345.487 1.790 20 0 EDADHO OC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000818989767 593732603 /nfs/dbraw/zinc/73/26/03/593732603.db2.gz SNVNEHMENBUEHI-UHFFFAOYSA-N 1 3 332.492 1.879 20 0 EDADHO C[S@](=O)CCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000828094691 594340138 /nfs/dbraw/zinc/34/01/38/594340138.db2.gz YVNOMRQONKRFMP-QHCPKHFHSA-N 1 3 343.537 1.069 20 0 EDADHO CN(C)C1(CNC(=O)N(C)C2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000841835259 594960472 /nfs/dbraw/zinc/96/04/72/594960472.db2.gz MUHTWNGPGXYHHU-UHFFFAOYSA-N 1 3 344.503 1.997 20 0 EDADHO COCCNCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856694 594966395 /nfs/dbraw/zinc/96/63/95/594966395.db2.gz ZZBMLTHQSIEJBT-UHFFFAOYSA-N 1 3 326.485 1.319 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(Cl)n1 ZINC000834317030 595092645 /nfs/dbraw/zinc/09/26/45/595092645.db2.gz OLMRFFRFNIODOC-CYZMBNFOSA-N 1 3 326.828 1.008 20 0 EDADHO O=S(=O)(NC1CC1)c1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000846219721 595176773 /nfs/dbraw/zinc/17/67/73/595176773.db2.gz FJXGKQDLXOZTTM-UHFFFAOYSA-N 1 3 349.500 1.703 20 0 EDADHO O[C@H](C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1)CN1CCCC1 ZINC000843062669 595277697 /nfs/dbraw/zinc/27/76/97/595277697.db2.gz QZWYOHRTZACCOT-UKRRQHHQSA-N 1 3 348.365 1.665 20 0 EDADHO CN(C)C[C@H]1CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809004 595319424 /nfs/dbraw/zinc/31/94/24/595319424.db2.gz OKQMTHARNHEDEK-RHSMWYFYSA-N 1 3 327.469 1.242 20 0 EDADHO CN(C)C[C@H]1CC[N@@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809004 595319425 /nfs/dbraw/zinc/31/94/25/595319425.db2.gz OKQMTHARNHEDEK-RHSMWYFYSA-N 1 3 327.469 1.242 20 0 EDADHO COC(=O)/C=C/c1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896253 595464470 /nfs/dbraw/zinc/46/44/70/595464470.db2.gz WJORGVZNZOGTID-NFAHFFEMSA-N 1 3 347.459 1.724 20 0 EDADHO Cc1n[nH]cc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849071540 595477916 /nfs/dbraw/zinc/47/79/16/595477916.db2.gz DZYZSIOZTDWQST-UHFFFAOYSA-N 1 3 326.448 1.997 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)c1ccc(OC)cc1 ZINC000849117112 595484624 /nfs/dbraw/zinc/48/46/24/595484624.db2.gz YSIQAPHJONBZNM-HZPDHXFCSA-N 1 3 334.464 1.369 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852854858 595577312 /nfs/dbraw/zinc/57/73/12/595577312.db2.gz RPLPDPKPOVBQOZ-DOTOQJQBSA-N 1 3 346.431 1.052 20 0 EDADHO [NH3+]C[C@H]1CC(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)=NO1 ZINC000852859193 595581074 /nfs/dbraw/zinc/58/10/74/595581074.db2.gz OKCMDIGFHZTQBB-WBVHZDCISA-N 1 3 330.432 1.433 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583478 595581859 /nfs/dbraw/zinc/58/18/59/595581859.db2.gz UFZRTUSNAHHILA-HZPDHXFCSA-N 1 3 333.480 1.056 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612219 595595297 /nfs/dbraw/zinc/59/52/97/595595297.db2.gz GXQHVZKTDQSJOE-BHYGNILZSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612219 595595299 /nfs/dbraw/zinc/59/52/99/595595299.db2.gz GXQHVZKTDQSJOE-BHYGNILZSA-N 1 3 335.496 1.300 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@H](CN)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888222 595600533 /nfs/dbraw/zinc/60/05/33/595600533.db2.gz VNVQCWDYFHHLQE-IMJJTQAJSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@H](CN)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888222 595600535 /nfs/dbraw/zinc/60/05/35/595600535.db2.gz VNVQCWDYFHHLQE-IMJJTQAJSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)CCCO2 ZINC000853249187 595719225 /nfs/dbraw/zinc/71/92/25/595719225.db2.gz OFUAZVMFEFRYLM-HUUCEWRRSA-N 1 3 331.460 1.860 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936730 /nfs/dbraw/zinc/93/67/30/595936730.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 1 3 325.497 1.556 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936734 /nfs/dbraw/zinc/93/67/34/595936734.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 1 3 325.497 1.556 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936952 /nfs/dbraw/zinc/93/69/52/595936952.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 1 3 341.471 1.257 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936954 /nfs/dbraw/zinc/93/69/54/595936954.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 1 3 341.471 1.257 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)ccc2oc1=O ZINC000870875688 596386144 /nfs/dbraw/zinc/38/61/44/596386144.db2.gz GZMDICBLAOJIOG-BETUJISGSA-N 1 3 346.431 1.612 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982056 596429281 /nfs/dbraw/zinc/42/92/81/596429281.db2.gz WSEYKBFDNGORIT-GOSISDBHSA-N 1 3 348.466 1.106 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@@H](CCNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000863551049 596615254 /nfs/dbraw/zinc/61/52/54/596615254.db2.gz CKXBGCYTMKBADE-CVEARBPZSA-N 1 3 341.496 1.680 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868281129 596762463 /nfs/dbraw/zinc/76/24/63/596762463.db2.gz MOBWITZFXWXOAF-UPTPFMHGSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)N1CCN(CCCN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872152999 596814113 /nfs/dbraw/zinc/81/41/13/596814113.db2.gz XSYMBWBKOLMTIF-HUUCEWRRSA-N 1 3 336.446 1.472 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN(C)CCCCCC[NH3+])cc1 ZINC000872155178 596816147 /nfs/dbraw/zinc/81/61/47/596816147.db2.gz FSTOZYZXMLTXHY-UHFFFAOYSA-N 1 3 327.494 1.888 20 0 EDADHO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)CCCCCC[NH3+] ZINC000872155003 596816217 /nfs/dbraw/zinc/81/62/17/596816217.db2.gz JGKNIEVDTIVGQW-CVEARBPZSA-N 1 3 349.475 1.782 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000872215093 596839291 /nfs/dbraw/zinc/83/92/91/596839291.db2.gz PKAGSOMWYQJVOP-MSOLQXFVSA-N 1 3 336.476 1.255 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000872215093 596839293 /nfs/dbraw/zinc/83/92/93/596839293.db2.gz PKAGSOMWYQJVOP-MSOLQXFVSA-N 1 3 336.476 1.255 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@H](O)CN(C)C2CC2)C1 ZINC000872225547 596843920 /nfs/dbraw/zinc/84/39/20/596843920.db2.gz CNPCNPRSSIXMQC-VQTJNVASSA-N 1 3 347.503 1.241 20 0 EDADHO CSC1(CNC(=O)N2CCN(C)C(C)(C)CC2)CC[NH+](C)CC1 ZINC000875597849 596911129 /nfs/dbraw/zinc/91/11/29/596911129.db2.gz NKNYHLCIQAVMEZ-UHFFFAOYSA-N 1 3 342.553 1.940 20 0 EDADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213548 597229810 /nfs/dbraw/zinc/22/98/10/597229810.db2.gz HKLXENNWRKPTPH-CQSZACIVSA-N 1 3 347.406 1.894 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876738922 597316028 /nfs/dbraw/zinc/31/60/28/597316028.db2.gz AMKPCIBEYVKORM-MRXNPFEDSA-N 1 3 341.459 1.173 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876738922 597316033 /nfs/dbraw/zinc/31/60/33/597316033.db2.gz AMKPCIBEYVKORM-MRXNPFEDSA-N 1 3 341.459 1.173 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CN(C)C)CCCC1)c1ccccc1 ZINC000876763108 597328867 /nfs/dbraw/zinc/32/88/67/597328867.db2.gz MYUKQKMJURQSBP-WBVHZDCISA-N 1 3 332.492 1.655 20 0 EDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000876776300 597336160 /nfs/dbraw/zinc/33/61/60/597336160.db2.gz HGURSUXTWHBIIU-MSOLQXFVSA-N 1 3 345.487 1.633 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875346948 597393900 /nfs/dbraw/zinc/39/39/00/597393900.db2.gz TZUORMDQUUHJCX-KKUMJFAQSA-N 1 3 326.485 1.004 20 0 EDADHO CC(C)(C)OC(=O)NCC1(CNC[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000876965564 597400177 /nfs/dbraw/zinc/40/01/77/597400177.db2.gz GPRXAPDZFRCYPT-HNNXBMFYSA-N 1 3 341.496 1.728 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245481 597477077 /nfs/dbraw/zinc/47/70/77/597477077.db2.gz DFIUDHTWFXHKMF-MHORFTMASA-N 1 3 330.476 1.093 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)C[C@H]1C(F)(F)F ZINC000877357074 597500164 /nfs/dbraw/zinc/50/01/64/597500164.db2.gz QXYNNYRNZQHZLI-KWCYVHTRSA-N 1 3 327.350 1.469 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878311425 597594670 /nfs/dbraw/zinc/59/46/70/597594670.db2.gz KZVNHBYQJNZKMW-SFHVURJKSA-N 1 3 339.524 1.530 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878311425 597594671 /nfs/dbraw/zinc/59/46/71/597594671.db2.gz KZVNHBYQJNZKMW-SFHVURJKSA-N 1 3 339.524 1.530 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883415870 597739167 /nfs/dbraw/zinc/73/91/67/597739167.db2.gz HEXVPIUMXAHOGP-CVEARBPZSA-N 1 3 336.480 1.166 20 0 EDADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCn3cnnn3)C2)ccn1 ZINC000879020009 597788368 /nfs/dbraw/zinc/78/83/68/597788368.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 1 3 345.451 1.062 20 0 EDADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCn3cnnn3)C2)ccn1 ZINC000879020009 597788370 /nfs/dbraw/zinc/78/83/70/597788370.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 1 3 345.451 1.062 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1(c2ncccn2)CCC1 ZINC000883770029 597895199 /nfs/dbraw/zinc/89/51/99/597895199.db2.gz IIQOKMVIAOYWTK-HNNXBMFYSA-N 1 3 348.495 1.427 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1(c2ncccn2)CCC1 ZINC000883770029 597895200 /nfs/dbraw/zinc/89/52/00/597895200.db2.gz IIQOKMVIAOYWTK-HNNXBMFYSA-N 1 3 348.495 1.427 20 0 EDADHO COCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218799 598032268 /nfs/dbraw/zinc/03/22/68/598032268.db2.gz YNICHSGTENIBQN-NJAFHUGGSA-N 1 3 333.476 1.862 20 0 EDADHO COCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218799 598032270 /nfs/dbraw/zinc/03/22/70/598032270.db2.gz YNICHSGTENIBQN-NJAFHUGGSA-N 1 3 333.476 1.862 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914219912 695284378 /nfs/dbraw/zinc/28/43/78/695284378.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914219912 695284381 /nfs/dbraw/zinc/28/43/81/695284381.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 1 3 336.480 1.166 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC000914314236 695351636 /nfs/dbraw/zinc/35/16/36/695351636.db2.gz PSFLKSVVBQFGID-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000914671159 695614858 /nfs/dbraw/zinc/61/48/58/695614858.db2.gz BNNXYEHQIXLFAD-UTUOFQBUSA-N 1 3 336.354 1.861 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000914671159 695614859 /nfs/dbraw/zinc/61/48/59/695614859.db2.gz BNNXYEHQIXLFAD-UTUOFQBUSA-N 1 3 336.354 1.861 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000915320294 695791580 /nfs/dbraw/zinc/79/15/80/695791580.db2.gz QOBUEYCPLILIEU-OAHLLOKOSA-N 1 3 333.480 1.900 20 0 EDADHO C[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000915492382 695932508 /nfs/dbraw/zinc/93/25/08/695932508.db2.gz DRGOUEJGMBLZBS-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008693 700110692 /nfs/dbraw/zinc/11/06/92/700110692.db2.gz YJRCLYGFVPWYET-INIZCTEOSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008620 700110296 /nfs/dbraw/zinc/11/02/96/700110296.db2.gz WAVPGYFZSMBPJC-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467474 696904040 /nfs/dbraw/zinc/90/40/40/696904040.db2.gz VMIPJHFCAYZXRD-MAUKXSAKSA-N 1 3 333.476 1.977 20 0 EDADHO CCc1noc(C)c1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055113 699115555 /nfs/dbraw/zinc/11/55/55/699115555.db2.gz UJTZBCHINWFQHX-UGSOOPFHSA-N 1 3 348.491 1.824 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136873 699223405 /nfs/dbraw/zinc/22/34/05/699223405.db2.gz CPIVSBITQCPKJT-WBVHZDCISA-N 1 3 337.508 1.581 20 0 EDADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000941566494 701585259 /nfs/dbraw/zinc/58/52/59/701585259.db2.gz FBWUJDJMTRCROV-SJORKVTESA-N 1 3 336.524 1.345 20 0 EDADHO COc1ccc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939210810 699358558 /nfs/dbraw/zinc/35/85/58/699358558.db2.gz PVAJWFGKBBSYIM-RDTXWAMCSA-N 1 3 342.443 1.640 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677361 701615931 /nfs/dbraw/zinc/61/59/31/701615931.db2.gz NHGXHZXKEYOCAY-CALCHBBNSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677361 701615932 /nfs/dbraw/zinc/61/59/32/701615932.db2.gz NHGXHZXKEYOCAY-CALCHBBNSA-N 1 3 336.524 1.344 20 0 EDADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118776 701623174 /nfs/dbraw/zinc/62/31/74/701623174.db2.gz UDOLHPGRYWYLDO-HNAYVOBHSA-N 1 3 349.519 1.724 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCc3ncnn32)CC1)N(C)C ZINC000940176768 700309205 /nfs/dbraw/zinc/30/92/05/700309205.db2.gz OKMSNNVSIYJXKK-LSDHHAIUSA-N 1 3 348.495 1.076 20 0 EDADHO Cn1ccc(CNC[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995057001 700412241 /nfs/dbraw/zinc/41/22/41/700412241.db2.gz TVRJUEFNMWZHJB-HOTGVXAUSA-N 1 3 347.507 1.669 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054504 700416916 /nfs/dbraw/zinc/41/69/16/700416916.db2.gz MCCQDIXDIGZVJW-HZPDHXFCSA-N 1 3 347.507 1.669 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCC(C)(NCc3cnns3)CC2)CC1 ZINC000940296827 700469197 /nfs/dbraw/zinc/46/91/97/700469197.db2.gz YPYJMGKKPSLSKE-UHFFFAOYSA-N 1 3 337.493 1.351 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC000940334458 700514560 /nfs/dbraw/zinc/51/45/60/700514560.db2.gz LFZQZIABKXTSLR-INIZCTEOSA-N 1 3 348.491 1.196 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940426477 700620061 /nfs/dbraw/zinc/62/00/61/700620061.db2.gz SBQRLSHAEYXLRU-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940426477 700620062 /nfs/dbraw/zinc/62/00/62/700620062.db2.gz SBQRLSHAEYXLRU-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787827 /nfs/dbraw/zinc/78/78/27/700787827.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787828 /nfs/dbraw/zinc/78/78/28/700787828.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 1 3 345.491 1.596 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2ccccn2)C1 ZINC000999168199 706595785 /nfs/dbraw/zinc/59/57/85/706595785.db2.gz FSVDCYVBWNEHIH-QZTJIDSGSA-N 1 3 328.460 1.504 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236899 701427520 /nfs/dbraw/zinc/42/75/20/701427520.db2.gz CNVZHJFUZMMEMH-CRAIPNDOSA-N 1 3 347.503 1.959 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236899 701427521 /nfs/dbraw/zinc/42/75/21/701427521.db2.gz CNVZHJFUZMMEMH-CRAIPNDOSA-N 1 3 347.503 1.959 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408794 701521465 /nfs/dbraw/zinc/52/14/65/701521465.db2.gz UTMGMHJVJAFTCR-IBGZPJMESA-N 1 3 348.535 1.203 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)CC3)C2)C1 ZINC000941412522 701528063 /nfs/dbraw/zinc/52/80/63/701528063.db2.gz JCYSHFJQMKZRGJ-MPLMCADHSA-N 1 3 348.535 1.201 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CC3)C2)C1 ZINC000941412522 701528064 /nfs/dbraw/zinc/52/80/64/701528064.db2.gz JCYSHFJQMKZRGJ-MPLMCADHSA-N 1 3 348.535 1.201 20 0 EDADHO COc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999190391 706632958 /nfs/dbraw/zinc/63/29/58/706632958.db2.gz QRDJTILMPQHSGO-HYVNUMGLSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999190391 706632961 /nfs/dbraw/zinc/63/29/61/706632961.db2.gz QRDJTILMPQHSGO-HYVNUMGLSA-N 1 3 346.475 1.511 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995825564 702097371 /nfs/dbraw/zinc/09/73/71/702097371.db2.gz ODTOJYPBAWJILJ-BMFZPTHFSA-N 1 3 333.480 1.087 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995825564 702097377 /nfs/dbraw/zinc/09/73/77/702097377.db2.gz ODTOJYPBAWJILJ-BMFZPTHFSA-N 1 3 333.480 1.087 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895637 702199080 /nfs/dbraw/zinc/19/90/80/702199080.db2.gz LWSLJDUIULBUSL-SJORKVTESA-N 1 3 345.491 1.452 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189263 702227732 /nfs/dbraw/zinc/22/77/32/702227732.db2.gz ZZFDNVQHAQHHKC-JKSUJKDBSA-N 1 3 334.464 1.562 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)N(C)C ZINC000996313506 702701942 /nfs/dbraw/zinc/70/19/42/702701942.db2.gz DNCUKIDWSJTOBS-JKSUJKDBSA-N 1 3 348.491 1.757 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)N(C)C ZINC000996315057 702703294 /nfs/dbraw/zinc/70/32/94/702703294.db2.gz LXTPXFCQBHXOMM-IRXDYDNUSA-N 1 3 349.523 1.612 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000996674129 702969421 /nfs/dbraw/zinc/96/94/21/702969421.db2.gz ZYKKDPDDFLKNLK-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000996713835 703006254 /nfs/dbraw/zinc/00/62/54/703006254.db2.gz XUYILHOGDBYTCJ-JKSUJKDBSA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CCn2nc(C)cc2C)CC1)N(C)C ZINC000996711649 703006379 /nfs/dbraw/zinc/00/63/79/703006379.db2.gz KDHMQSYLQLOSQC-QGZVFWFLSA-N 1 3 335.496 1.421 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730409 703027147 /nfs/dbraw/zinc/02/71/47/703027147.db2.gz SFUQGLHSRPMHLP-QGZVFWFLSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC000996867435 703140314 /nfs/dbraw/zinc/14/03/14/703140314.db2.gz IARNFDINMGVWBE-UHFFFAOYSA-N 1 3 345.491 1.740 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996934575 703204369 /nfs/dbraw/zinc/20/43/69/703204369.db2.gz LXJIRBLFECKHBC-UHFFFAOYSA-N 1 3 349.460 1.587 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)s1 ZINC000996996239 703259553 /nfs/dbraw/zinc/25/95/53/703259553.db2.gz WTGKOSUCFMOUNU-CYBMUJFWSA-N 1 3 336.505 1.874 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997007330 703264801 /nfs/dbraw/zinc/26/48/01/703264801.db2.gz QFVURUGREIWKEF-AWEZNQCLSA-N 1 3 334.464 1.659 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008511 703266464 /nfs/dbraw/zinc/26/64/64/703266464.db2.gz MXOZRZGREDDAJR-RDTXWAMCSA-N 1 3 345.491 1.108 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008511 703266467 /nfs/dbraw/zinc/26/64/67/703266467.db2.gz MXOZRZGREDDAJR-RDTXWAMCSA-N 1 3 345.491 1.108 20 0 EDADHO Cc1ncsc1CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997042279 703292557 /nfs/dbraw/zinc/29/25/57/703292557.db2.gz OOVRRWCQEMLHCZ-UHFFFAOYSA-N 1 3 333.461 1.540 20 0 EDADHO CCc1nnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185859 703475125 /nfs/dbraw/zinc/47/51/25/703475125.db2.gz SXTJGNMCBZJSJF-KGLIPLIRSA-N 1 3 348.495 1.351 20 0 EDADHO CCc1nnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185859 703475127 /nfs/dbraw/zinc/47/51/27/703475127.db2.gz SXTJGNMCBZJSJF-KGLIPLIRSA-N 1 3 348.495 1.351 20 0 EDADHO CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997228347 703504030 /nfs/dbraw/zinc/50/40/30/703504030.db2.gz GMFDNJUNQCTWMT-RXHUYCNISA-N 1 3 335.492 1.476 20 0 EDADHO Cn1c(Cl)cnc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997300892 703544494 /nfs/dbraw/zinc/54/44/94/703544494.db2.gz YYWXMACRDRWBIG-GFCCVEGCSA-N 1 3 339.871 1.106 20 0 EDADHO Cn1c(Cl)cnc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997300892 703544495 /nfs/dbraw/zinc/54/44/95/703544495.db2.gz YYWXMACRDRWBIG-GFCCVEGCSA-N 1 3 339.871 1.106 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000997307888 703566010 /nfs/dbraw/zinc/56/60/10/703566010.db2.gz XQIQZANCRDUECP-UHFFFAOYSA-N 1 3 343.431 1.399 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000997308046 703566384 /nfs/dbraw/zinc/56/63/84/703566384.db2.gz YTOGTZZCNLUKDP-UHFFFAOYSA-N 1 3 331.460 1.872 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)on1 ZINC000997361981 703596017 /nfs/dbraw/zinc/59/60/17/703596017.db2.gz ZBSMLACUEHDMED-GJZGRUSLSA-N 1 3 334.464 1.936 20 0 EDADHO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032444332 703621442 /nfs/dbraw/zinc/62/14/42/703621442.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 1 3 347.503 1.715 20 0 EDADHO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032444332 703621443 /nfs/dbraw/zinc/62/14/43/703621443.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 1 3 347.503 1.715 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032493545 703779027 /nfs/dbraw/zinc/77/90/27/703779027.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 1 3 349.519 1.819 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032493545 703779028 /nfs/dbraw/zinc/77/90/28/703779028.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 1 3 349.519 1.819 20 0 EDADHO COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997608769 703907850 /nfs/dbraw/zinc/90/78/50/703907850.db2.gz WSCIQQAOAOUREP-SFHVURJKSA-N 1 3 346.475 1.513 20 0 EDADHO COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997608763 703907929 /nfs/dbraw/zinc/90/79/29/703907929.db2.gz WSCIQQAOAOUREP-GOSISDBHSA-N 1 3 346.475 1.513 20 0 EDADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310759 /nfs/dbraw/zinc/31/07/59/704310759.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310761 /nfs/dbraw/zinc/31/07/61/704310761.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 1 3 335.492 1.428 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804394 704716327 /nfs/dbraw/zinc/71/63/27/704716327.db2.gz RFMMPICOXUVYEN-RTBURBONSA-N 1 3 349.519 1.868 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000997829734 704748506 /nfs/dbraw/zinc/74/85/06/704748506.db2.gz BTGQNWWWRLIZBC-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997831047 704751393 /nfs/dbraw/zinc/75/13/93/704751393.db2.gz PDGKOKRYWVILJO-SFHVURJKSA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CNCc2nccn2C)CC1)[NH+](C)C ZINC000997845276 704761269 /nfs/dbraw/zinc/76/12/69/704761269.db2.gz VQZHKPLTFBBAMX-KRWDZBQOSA-N 1 3 335.496 1.335 20 0 EDADHO C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094959 705066742 /nfs/dbraw/zinc/06/67/42/705066742.db2.gz ZCHRSONJCMBIJX-YJBOKZPZSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094959 705066747 /nfs/dbraw/zinc/06/67/47/705066747.db2.gz ZCHRSONJCMBIJX-YJBOKZPZSA-N 1 3 333.476 1.571 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998029772 705213098 /nfs/dbraw/zinc/21/30/98/705213098.db2.gz BBBXQVRYIWUDJX-UHFFFAOYSA-N 1 3 347.507 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998066932 705279700 /nfs/dbraw/zinc/27/97/00/705279700.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 1 3 349.519 1.961 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000998066932 705279703 /nfs/dbraw/zinc/27/97/03/705279703.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000998081220 705301220 /nfs/dbraw/zinc/30/12/20/705301220.db2.gz HCOFPFQEHXMRPX-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000998080190 705304812 /nfs/dbraw/zinc/30/48/12/705304812.db2.gz YKXSDUKGEZXCMX-RDTXWAMCSA-N 1 3 345.491 1.311 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000998080190 705304815 /nfs/dbraw/zinc/30/48/15/705304815.db2.gz YKXSDUKGEZXCMX-RDTXWAMCSA-N 1 3 345.491 1.311 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)on1 ZINC000998082433 705309533 /nfs/dbraw/zinc/30/95/33/705309533.db2.gz OZXCNCIHAFCTQI-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)on1 ZINC000998082433 705309539 /nfs/dbraw/zinc/30/95/39/705309539.db2.gz OZXCNCIHAFCTQI-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1)N(C)C ZINC000998087545 705320317 /nfs/dbraw/zinc/32/03/17/705320317.db2.gz YDKSKZRPPIXDDZ-KRWDZBQOSA-N 1 3 333.480 1.453 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286109 705680335 /nfs/dbraw/zinc/68/03/35/705680335.db2.gz FSSJTRYXXHLGIQ-IYBDPMFKSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286109 705680339 /nfs/dbraw/zinc/68/03/39/705680339.db2.gz FSSJTRYXXHLGIQ-IYBDPMFKSA-N 1 3 347.507 1.621 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998549600 705985835 /nfs/dbraw/zinc/98/58/35/705985835.db2.gz LPMLDQRBWXHGRN-JCYILVPMSA-N 1 3 333.480 1.119 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379538 706873499 /nfs/dbraw/zinc/87/34/99/706873499.db2.gz ZFQYGABJQTXLLZ-NVXWUHKLSA-N 1 3 334.464 1.712 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362673 706876577 /nfs/dbraw/zinc/87/65/77/706876577.db2.gz COFCRJNQWUVXMC-SFHVURJKSA-N 1 3 345.487 1.744 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cn1 ZINC000999371022 706885260 /nfs/dbraw/zinc/88/52/60/706885260.db2.gz MPROKYNZFWAMON-SJLPKXTDSA-N 1 3 346.475 1.511 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832326 707463320 /nfs/dbraw/zinc/46/33/20/707463320.db2.gz FKJPDBXKJZTQQW-UHFFFAOYSA-N 1 3 334.464 1.720 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999833575 707465849 /nfs/dbraw/zinc/46/58/49/707465849.db2.gz MZZQTMLLPXUSAT-UHFFFAOYSA-N 1 3 336.867 1.910 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2ccncc2Cl)C1 ZINC000999833804 707466462 /nfs/dbraw/zinc/46/64/62/707466462.db2.gz DGWYDQMVQOMDON-WLYUNCDWSA-N 1 3 336.867 1.766 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2ccncc2Cl)C1 ZINC000999833804 707466465 /nfs/dbraw/zinc/46/64/65/707466465.db2.gz DGWYDQMVQOMDON-WLYUNCDWSA-N 1 3 336.867 1.766 20 0 EDADHO COC[C@@H](C)N1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574952 708249211 /nfs/dbraw/zinc/24/92/11/708249211.db2.gz NYYOVAPHRWKDDP-QAPCUYQASA-N 1 3 337.508 1.676 20 0 EDADHO COc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1C ZINC001033661863 708475709 /nfs/dbraw/zinc/47/57/09/708475709.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 1 3 345.487 1.988 20 0 EDADHO COc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1C ZINC001033661863 708475712 /nfs/dbraw/zinc/47/57/12/708475712.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 1 3 345.487 1.988 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC001033685029 708498474 /nfs/dbraw/zinc/49/84/74/708498474.db2.gz RLICTDVRPDGCDF-PKOBYXMFSA-N 1 3 345.487 1.931 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1 ZINC001033685029 708498475 /nfs/dbraw/zinc/49/84/75/708498475.db2.gz RLICTDVRPDGCDF-PKOBYXMFSA-N 1 3 345.487 1.931 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037994 708559346 /nfs/dbraw/zinc/55/93/46/708559346.db2.gz SPDMRGIWOZKIHA-KRWDZBQOSA-N 1 3 325.497 1.462 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033908010 709041225 /nfs/dbraw/zinc/04/12/25/709041225.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033908010 709041229 /nfs/dbraw/zinc/04/12/29/709041229.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033942036 709148678 /nfs/dbraw/zinc/14/86/78/709148678.db2.gz VZRGFTZBOZJUJV-QGZVFWFLSA-N 1 3 333.480 1.148 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001002813929 709416440 /nfs/dbraw/zinc/41/64/40/709416440.db2.gz AFGYFPBVORNGMR-OAHLLOKOSA-N 1 3 325.497 1.866 20 0 EDADHO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034272260 709679459 /nfs/dbraw/zinc/67/94/59/709679459.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034272260 709679462 /nfs/dbraw/zinc/67/94/62/709679462.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nn(C)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001034272260 709679465 /nfs/dbraw/zinc/67/94/65/709679465.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1nn(C)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001034272260 709679467 /nfs/dbraw/zinc/67/94/67/709679467.db2.gz SLMINVJXOTXQHO-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544375 710217987 /nfs/dbraw/zinc/21/79/87/710217987.db2.gz QTFZEJFEKBRLFF-NVXWUHKLSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034544375 710217990 /nfs/dbraw/zinc/21/79/90/710217990.db2.gz QTFZEJFEKBRLFF-NVXWUHKLSA-N 1 3 333.476 1.713 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2cnns2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648254 710325015 /nfs/dbraw/zinc/32/50/15/710325015.db2.gz GMVSQEPHEXFZAA-IIAWOOMASA-N 1 3 349.504 1.397 20 0 EDADHO Cn1cc(CC[NH+]2CCC(NC(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC001003630886 710460123 /nfs/dbraw/zinc/46/01/23/710460123.db2.gz OXGIYIDFKCTHBQ-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733400 710913542 /nfs/dbraw/zinc/91/35/42/710913542.db2.gz BHYYCGYYRVGUNV-XLAORIBOSA-N 1 3 337.508 1.914 20 0 EDADHO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001034734015 710914804 /nfs/dbraw/zinc/91/48/04/710914804.db2.gz HAHSVWCKZRTWHX-BPUTZDHNSA-N 1 3 334.464 1.842 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(N)=O)cs1)C2 ZINC000922387407 711426897 /nfs/dbraw/zinc/42/68/97/711426897.db2.gz KOLLMKBIZMNFNA-PNBKFKSVSA-N 1 3 337.489 1.416 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1cc(C(N)=O)cs1)C2 ZINC000922387407 711426899 /nfs/dbraw/zinc/42/68/99/711426899.db2.gz KOLLMKBIZMNFNA-PNBKFKSVSA-N 1 3 337.489 1.416 20 0 EDADHO Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034958148 711431073 /nfs/dbraw/zinc/43/10/73/711431073.db2.gz BLUFDAYDQRWOCY-QZTJIDSGSA-N 1 3 330.476 1.811 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)C1 ZINC001034958856 711432673 /nfs/dbraw/zinc/43/26/73/711432673.db2.gz MPMASLGHLUCNRC-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)C1 ZINC001034958856 711432675 /nfs/dbraw/zinc/43/26/75/711432675.db2.gz MPMASLGHLUCNRC-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392122 711457389 /nfs/dbraw/zinc/45/73/89/711457389.db2.gz BMRGSDLTNJIKAM-ZAWLATJESA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392122 711457392 /nfs/dbraw/zinc/45/73/92/711457392.db2.gz BMRGSDLTNJIKAM-ZAWLATJESA-N 1 3 343.475 1.689 20 0 EDADHO CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1)OC ZINC000946642940 712130054 /nfs/dbraw/zinc/13/00/54/712130054.db2.gz WZTRTQWRRUCYJJ-XMTFNYHQSA-N 1 3 339.524 1.922 20 0 EDADHO CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1)OC ZINC000946642940 712130056 /nfs/dbraw/zinc/13/00/56/712130056.db2.gz WZTRTQWRRUCYJJ-XMTFNYHQSA-N 1 3 339.524 1.922 20 0 EDADHO COCCN1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589460 /nfs/dbraw/zinc/58/94/60/712589460.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 1 3 345.487 1.511 20 0 EDADHO COCCN1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589461 /nfs/dbraw/zinc/58/94/61/712589461.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 1 3 345.487 1.511 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2c1CNCC2 ZINC000074532932 295659276 /nfs/dbraw/zinc/65/92/76/295659276.db2.gz GUQPFINQUZJYRB-KRWDZBQOSA-N 1 3 339.443 1.622 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174206987 231150181 /nfs/dbraw/zinc/15/01/81/231150181.db2.gz ZAKPHTLFARAXTF-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364574903 295693875 /nfs/dbraw/zinc/69/38/75/295693875.db2.gz AIZJVNLJJPMWCP-ICSRJNTNSA-N 1 3 343.471 1.259 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183212030 282257202 /nfs/dbraw/zinc/25/72/02/282257202.db2.gz XYFBTPASLDVVAP-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705414 /nfs/dbraw/zinc/70/54/14/539705414.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 1 3 338.540 1.785 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705417 /nfs/dbraw/zinc/70/54/17/539705417.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 1 3 338.540 1.785 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000562789014 306308939 /nfs/dbraw/zinc/30/89/39/306308939.db2.gz IHJDFVCANNNECP-VQIMIIECSA-N 1 3 344.503 1.991 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000077622389 138253516 /nfs/dbraw/zinc/25/35/16/138253516.db2.gz QDSSFBWYNMKZBV-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000343020548 283210250 /nfs/dbraw/zinc/21/02/50/283210250.db2.gz QUFNQHRSVLKFFL-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423414269 283231938 /nfs/dbraw/zinc/23/19/38/283231938.db2.gz MMNOODTYPVHBHX-CVEARBPZSA-N 1 3 340.512 1.010 20 0 EDADHO CCN1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000413846766 304081163 /nfs/dbraw/zinc/08/11/63/304081163.db2.gz UIYVEMPMJLAZDU-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000564651345 306362036 /nfs/dbraw/zinc/36/20/36/306362036.db2.gz INGPTAJEFMLJMX-LJQANCHMSA-N 1 3 349.519 1.659 20 0 EDADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362198 /nfs/dbraw/zinc/36/21/98/306362198.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362199 /nfs/dbraw/zinc/36/21/99/306362199.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 1 3 342.487 1.846 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000564654635 306362279 /nfs/dbraw/zinc/36/22/79/306362279.db2.gz HNETYDVCPWZFCK-MJGOQNOKSA-N 1 3 328.460 1.506 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000414006892 304094104 /nfs/dbraw/zinc/09/41/04/304094104.db2.gz RIFVIIWJXMMYJK-SFHVURJKSA-N 1 3 344.503 1.718 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000414006892 304094107 /nfs/dbraw/zinc/09/41/07/304094107.db2.gz RIFVIIWJXMMYJK-SFHVURJKSA-N 1 3 344.503 1.718 20 0 EDADHO O=C([C@H]1CCCCN1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000565421454 306383586 /nfs/dbraw/zinc/38/35/86/306383586.db2.gz CJIVJROBAGFUSK-MRXNPFEDSA-N 1 3 345.491 1.725 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566012958 306396498 /nfs/dbraw/zinc/39/64/98/306396498.db2.gz ZWKHFIWFUBSBJL-UHFFFAOYSA-N 1 3 347.463 1.058 20 0 EDADHO CN1CCC(C[NH2+]C/C=C/c2ccncc2)(N2CCOCC2)CC1 ZINC000414478315 304117903 /nfs/dbraw/zinc/11/79/03/304117903.db2.gz DNYGSXNMSSXWDN-NSCUHMNNSA-N 1 3 330.476 1.481 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000414693636 304128265 /nfs/dbraw/zinc/12/82/65/304128265.db2.gz CNYRPQBQRDQZCP-LSDHHAIUSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)N1CCCC1 ZINC000414740465 304135583 /nfs/dbraw/zinc/13/55/83/304135583.db2.gz RDKPFSIUWDCODU-PBHICJAKSA-N 1 3 346.475 1.881 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786170 304140368 /nfs/dbraw/zinc/14/03/68/304140368.db2.gz UFUWVQNRDZSCPH-IRXDYDNUSA-N 1 3 347.507 1.387 20 0 EDADHO Fc1cc(Br)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414787568 304140894 /nfs/dbraw/zinc/14/08/94/304140894.db2.gz ZEEKYOXBXCYEIO-UHFFFAOYSA-N 1 3 330.245 1.973 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2CN)c1 ZINC000414810228 304143423 /nfs/dbraw/zinc/14/34/23/304143423.db2.gz VBICIGDATKQBKE-BJJXKVORSA-N 1 3 333.432 1.907 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414810228 304143425 /nfs/dbraw/zinc/14/34/25/304143425.db2.gz VBICIGDATKQBKE-BJJXKVORSA-N 1 3 333.432 1.907 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000073915364 203276333 /nfs/dbraw/zinc/27/63/33/203276333.db2.gz XAECSPPEXBUHOI-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCCN(C)C ZINC000073915364 203276336 /nfs/dbraw/zinc/27/63/36/203276336.db2.gz XAECSPPEXBUHOI-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]CCOc2ccc(F)cc2F)C1 ZINC000415089720 304158531 /nfs/dbraw/zinc/15/85/31/304158531.db2.gz WOSLHNVWHFOKCM-GFCCVEGCSA-N 1 3 327.375 1.131 20 0 EDADHO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CCCC2)C1 ZINC000423346834 296166779 /nfs/dbraw/zinc/16/67/79/296166779.db2.gz PTHXGLWZHDQXSW-LSDHHAIUSA-N 1 3 331.464 1.577 20 0 EDADHO CCN1CCN([C@@H]2CC[N@H+](Cc3cnc4c(c3)c(C)nn4C)C2)CC1 ZINC000107369261 204234240 /nfs/dbraw/zinc/23/42/40/204234240.db2.gz NXDACZCOWWWUDV-QGZVFWFLSA-N 1 3 342.491 1.489 20 0 EDADHO CCN1CCN([C@@H]2CC[N@@H+](Cc3cnc4c(c3)c(C)nn4C)C2)CC1 ZINC000107369261 204234243 /nfs/dbraw/zinc/23/42/43/204234243.db2.gz NXDACZCOWWWUDV-QGZVFWFLSA-N 1 3 342.491 1.489 20 0 EDADHO COC(=O)[C@H](CC(C)C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133260 284270806 /nfs/dbraw/zinc/27/08/06/284270806.db2.gz LBVNWIBDAIRRFI-IRXDYDNUSA-N 1 3 325.497 1.674 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000195159249 139008322 /nfs/dbraw/zinc/00/83/22/139008322.db2.gz TTZAMAQLNTVAIK-LJQANCHMSA-N 1 3 344.503 1.310 20 0 EDADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000415139648 304163585 /nfs/dbraw/zinc/16/35/85/304163585.db2.gz IWSMSBBQYJPNEK-UHFFFAOYSA-N 1 3 328.460 1.834 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000236613900 139026956 /nfs/dbraw/zinc/02/69/56/139026956.db2.gz JUOJQNMPTKPDBE-GOSISDBHSA-N 1 3 330.476 1.684 20 0 EDADHO CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237292002 139046780 /nfs/dbraw/zinc/04/67/80/139046780.db2.gz IHXNPCPVLXGADL-RBUKOAKNSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415179286 304171555 /nfs/dbraw/zinc/17/15/55/304171555.db2.gz LCJXWXCAQFECEO-KRWDZBQOSA-N 1 3 344.459 1.214 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000128791372 205163602 /nfs/dbraw/zinc/16/36/02/205163602.db2.gz PQVYHPKIOBPUPP-QZTJIDSGSA-N 1 3 330.476 1.585 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000133970459 205386274 /nfs/dbraw/zinc/38/62/74/205386274.db2.gz ULRXXGDJWKGECF-GOSISDBHSA-N 1 3 344.503 1.718 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415211162 304175374 /nfs/dbraw/zinc/17/53/74/304175374.db2.gz LGFUJPQMASFJEW-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852234 220208822 /nfs/dbraw/zinc/20/88/22/220208822.db2.gz OPPXMWHHHWZFLZ-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC2(C)C)c1 ZINC000415292711 304187572 /nfs/dbraw/zinc/18/75/72/304187572.db2.gz HXCAGCLEFSGBAL-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000246288648 139102540 /nfs/dbraw/zinc/10/25/40/139102540.db2.gz NAYYOOWHTITXFH-MGTHKWJCSA-N 1 3 333.451 1.961 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000246288648 139102541 /nfs/dbraw/zinc/10/25/41/139102541.db2.gz NAYYOOWHTITXFH-MGTHKWJCSA-N 1 3 333.451 1.961 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000164759111 206505638 /nfs/dbraw/zinc/50/56/38/206505638.db2.gz PTQCMZKYBVGMET-KRWDZBQOSA-N 1 3 346.475 1.839 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000415372751 304207047 /nfs/dbraw/zinc/20/70/47/304207047.db2.gz HYKSGFHMCRMVBH-QGZVFWFLSA-N 1 3 346.475 1.677 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415414058 304217296 /nfs/dbraw/zinc/21/72/96/304217296.db2.gz JGPHLBNEMZNSPR-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000261542009 139208670 /nfs/dbraw/zinc/20/86/70/139208670.db2.gz GHOJHQMVLMDCFL-CYBMUJFWSA-N 1 3 332.473 1.895 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000261613106 139211004 /nfs/dbraw/zinc/21/10/04/139211004.db2.gz FBCVGSBABUIVDR-GPMSIDNRSA-N 1 3 337.508 1.850 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)C3CCOCC3)C2)CC1 ZINC000261617116 139211373 /nfs/dbraw/zinc/21/13/73/139211373.db2.gz BWTJGJKTPVOONW-FUHWJXTLSA-N 1 3 337.508 1.711 20 0 EDADHO CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CCN(CCn2cccn2)CC1 ZINC000261773108 139224744 /nfs/dbraw/zinc/22/47/44/139224744.db2.gz IWWXOTQAKMERHJ-MRXNPFEDSA-N 1 3 333.480 1.196 20 0 EDADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@@H]3CN)ccc21 ZINC000415487353 304223941 /nfs/dbraw/zinc/22/39/41/304223941.db2.gz RSGVRXPTMNWKSR-GDBMZVCRSA-N 1 3 330.432 1.124 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)N(C)C)cc1 ZINC000261928249 139237931 /nfs/dbraw/zinc/23/79/31/139237931.db2.gz ZONPLAABPVXJDD-ZWKOTPCHSA-N 1 3 333.476 1.722 20 0 EDADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261923884 139237507 /nfs/dbraw/zinc/23/75/07/139237507.db2.gz YZYGLDDLCFZBGT-KRWDZBQOSA-N 1 3 348.447 1.269 20 0 EDADHO C[C@H](CCNC(=O)[C@H](N)C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000262017116 139244122 /nfs/dbraw/zinc/24/41/22/139244122.db2.gz ONKQQBUGEQFMMZ-CRAIPNDOSA-N 1 3 333.476 1.767 20 0 EDADHO C[C@H](CCNC(=O)[C@H](N)C1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000262017116 139244123 /nfs/dbraw/zinc/24/41/23/139244123.db2.gz ONKQQBUGEQFMMZ-CRAIPNDOSA-N 1 3 333.476 1.767 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000262195263 139259014 /nfs/dbraw/zinc/25/90/14/139259014.db2.gz ZXOOUOPMHFGCTM-IBGZPJMESA-N 1 3 330.476 1.396 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831299 251112476 /nfs/dbraw/zinc/11/24/76/251112476.db2.gz AVMCBPNDPASFIY-FUHWJXTLSA-N 1 3 328.460 1.797 20 0 EDADHO CC[NH2+]CCNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000416989270 251119687 /nfs/dbraw/zinc/11/96/87/251119687.db2.gz LXYBQNBOUIERLF-UHFFFAOYSA-N 1 3 347.507 1.233 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)Cc1ccccc1 ZINC000416997462 251123491 /nfs/dbraw/zinc/12/34/91/251123491.db2.gz AGSDCMMBKXLAMU-MSOLQXFVSA-N 1 3 348.491 1.227 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNCCOC)C1 ZINC000417585617 251198644 /nfs/dbraw/zinc/19/86/44/251198644.db2.gz PPKREXOEBJWTPN-OAHLLOKOSA-N 1 3 328.501 1.422 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNCCOC)C1 ZINC000417585617 251198648 /nfs/dbraw/zinc/19/86/48/251198648.db2.gz PPKREXOEBJWTPN-OAHLLOKOSA-N 1 3 328.501 1.422 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCN(C)C2CC2)cc1 ZINC000417626994 251209556 /nfs/dbraw/zinc/20/95/56/251209556.db2.gz OXLWHHSWZGLERO-ROUUACIJSA-N 1 3 346.475 1.534 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754930 251258474 /nfs/dbraw/zinc/25/84/74/251258474.db2.gz QJSCRQTVFJUKGD-JKSUJKDBSA-N 1 3 327.517 1.077 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417800688 251274207 /nfs/dbraw/zinc/27/42/07/251274207.db2.gz CHUNZXOGSRRMTJ-UHFFFAOYSA-N 1 3 328.501 1.693 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417806660 251279262 /nfs/dbraw/zinc/27/92/62/251279262.db2.gz IZCKXLULQYDCEA-HZPDHXFCSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000417872697 251306991 /nfs/dbraw/zinc/30/69/91/251306991.db2.gz LDTMOMMYEMIGJJ-BGTYHANMSA-N 1 3 328.460 1.510 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992490 251318472 /nfs/dbraw/zinc/31/84/72/251318472.db2.gz MQHMGYVYHUKSIY-IAGOWNOFSA-N 1 3 334.464 1.036 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418422289 251367130 /nfs/dbraw/zinc/36/71/30/251367130.db2.gz DMNSTCCYRRZBLE-BZSNNMDCSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000262530817 139284608 /nfs/dbraw/zinc/28/46/08/139284608.db2.gz NJBMBKRBZIZNBV-QZTJIDSGSA-N 1 3 346.519 1.997 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CNCCC2(F)F)CC[NH+](C)CC1 ZINC000418195449 251352989 /nfs/dbraw/zinc/35/29/89/251352989.db2.gz FYUQIBAKRVSYOL-NSHDSACASA-N 1 3 336.452 1.110 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCN(C)CC1 ZINC000418201809 251355703 /nfs/dbraw/zinc/35/57/03/251355703.db2.gz SOQNCEQAXMRRDH-KBPBESRZSA-N 1 3 326.510 1.065 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262533764 139284680 /nfs/dbraw/zinc/28/46/80/139284680.db2.gz OURWHNGWCWUBQN-IAGOWNOFSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262533763 139284709 /nfs/dbraw/zinc/28/47/09/139284709.db2.gz OURWHNGWCWUBQN-DLBZAZTESA-N 1 3 332.492 1.294 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418321186 251359360 /nfs/dbraw/zinc/35/93/60/251359360.db2.gz AIWWIULQYUGWKZ-GOSISDBHSA-N 1 3 345.491 1.592 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418708051 251390313 /nfs/dbraw/zinc/39/03/13/251390313.db2.gz UCBRCSFIWPRJTN-NEPJUHHUSA-N 1 3 328.407 1.774 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418626041 251380858 /nfs/dbraw/zinc/38/08/58/251380858.db2.gz KQFTXYJBTGZRKN-NVXWUHKLSA-N 1 3 333.480 1.685 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262624629 139290973 /nfs/dbraw/zinc/29/09/73/139290973.db2.gz AXYSYUXAUUGPTB-UHFFFAOYSA-N 1 3 330.476 1.762 20 0 EDADHO C[C@@H]1NCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000262804168 139304772 /nfs/dbraw/zinc/30/47/72/139304772.db2.gz PPJOMOBAWGJDJF-IRXDYDNUSA-N 1 3 330.476 1.408 20 0 EDADHO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1OC ZINC000422886403 252011579 /nfs/dbraw/zinc/01/15/79/252011579.db2.gz WREIXYWFBIJIGO-HOTGVXAUSA-N 1 3 349.475 1.960 20 0 EDADHO CCN1CCN(Cc2ccccc2CN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422893477 252013666 /nfs/dbraw/zinc/01/36/66/252013666.db2.gz QSJBKRYXDYCWAV-QZTJIDSGSA-N 1 3 330.520 1.912 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009294 252025489 /nfs/dbraw/zinc/02/54/89/252025489.db2.gz CNFCBNRHWISOBK-SDDRHHMPSA-N 1 3 333.354 1.821 20 0 EDADHO [NH3+]CCCn1cc(C(=O)N2CCCN(CC3CCCCC3)CC2)nn1 ZINC000423351094 252049501 /nfs/dbraw/zinc/04/95/01/252049501.db2.gz HLSCLJMMXAGHDT-UHFFFAOYSA-N 1 3 348.495 1.355 20 0 EDADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000423949047 252106468 /nfs/dbraw/zinc/10/64/68/252106468.db2.gz GUOCUPDXHSQMOC-KRWDZBQOSA-N 1 3 332.492 1.688 20 0 EDADHO C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424004287 252112924 /nfs/dbraw/zinc/11/29/24/252112924.db2.gz FDYIPKXHPORKPE-ROUUACIJSA-N 1 3 344.503 1.642 20 0 EDADHO NC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015349 252114287 /nfs/dbraw/zinc/11/42/87/252114287.db2.gz ZEHPLYPLHGINMS-FGTMMUONSA-N 1 3 327.403 1.821 20 0 EDADHO Nc1ccncc1C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424024237 252117131 /nfs/dbraw/zinc/11/71/31/252117131.db2.gz WHXPXGBQICHWHR-UHFFFAOYSA-N 1 3 339.443 1.217 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424043881 252123357 /nfs/dbraw/zinc/12/33/57/252123357.db2.gz HYCUSLXQLQKOBH-RYQLBKOJSA-N 1 3 347.434 1.237 20 0 EDADHO COCC[C@@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000423793571 252078086 /nfs/dbraw/zinc/07/80/86/252078086.db2.gz XHIAFLXCRBAPHQ-IBGZPJMESA-N 1 3 346.475 1.430 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217014 252165877 /nfs/dbraw/zinc/16/58/77/252165877.db2.gz KALBNIADJUPRAS-GBESFXJTSA-N 1 3 343.471 1.488 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217014 252165883 /nfs/dbraw/zinc/16/58/83/252165883.db2.gz KALBNIADJUPRAS-GBESFXJTSA-N 1 3 343.471 1.488 20 0 EDADHO COCc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302566 252192242 /nfs/dbraw/zinc/19/22/42/252192242.db2.gz ZXLVQUZVYBBWJH-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341561400 284980410 /nfs/dbraw/zinc/98/04/10/284980410.db2.gz SLBRTEIUMZMBPK-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000424463565 252238405 /nfs/dbraw/zinc/23/84/05/252238405.db2.gz HPYOZTVEKDHMMJ-CYBMUJFWSA-N 1 3 330.432 1.159 20 0 EDADHO Cc1cc(N2CCC(NCc3cc(C4CC[NH2+]CC4)no3)CC2)n[nH]1 ZINC000425898272 252313265 /nfs/dbraw/zinc/31/32/65/252313265.db2.gz YJEYLFOXRPOBMR-UHFFFAOYSA-N 1 3 344.463 1.932 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458370424 285023144 /nfs/dbraw/zinc/02/31/44/285023144.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458370424 285023145 /nfs/dbraw/zinc/02/31/45/285023145.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832042 285033947 /nfs/dbraw/zinc/03/39/47/285033947.db2.gz BMMAWXUEZSTYCG-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791030 285034481 /nfs/dbraw/zinc/03/44/81/285034481.db2.gz IUOCYHZRINLSRB-HNNXBMFYSA-N 1 3 340.512 1.706 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058354 /nfs/dbraw/zinc/05/83/54/285058354.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058358 /nfs/dbraw/zinc/05/83/58/285058358.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 1 3 326.485 1.127 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1 ZINC000263651445 139350080 /nfs/dbraw/zinc/35/00/80/139350080.db2.gz CYMGJCYFNKBCDW-MRXNPFEDSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)nc1 ZINC000263651445 139350081 /nfs/dbraw/zinc/35/00/81/139350081.db2.gz CYMGJCYFNKBCDW-MRXNPFEDSA-N 1 3 349.479 1.970 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000457533581 254873234 /nfs/dbraw/zinc/87/32/34/254873234.db2.gz PHUDVXJKVSGCQD-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000355142398 285245653 /nfs/dbraw/zinc/24/56/53/285245653.db2.gz WESRBSMLKYBYKU-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000355142398 285245656 /nfs/dbraw/zinc/24/56/56/285245656.db2.gz WESRBSMLKYBYKU-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@H](C)COC ZINC000360157688 285247921 /nfs/dbraw/zinc/24/79/21/285247921.db2.gz VUBCHIOWSZNABM-BRWVUGGUSA-N 1 3 327.513 1.780 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@H](C)COC ZINC000360157688 285247922 /nfs/dbraw/zinc/24/79/22/285247922.db2.gz VUBCHIOWSZNABM-BRWVUGGUSA-N 1 3 327.513 1.780 20 0 EDADHO C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCC[C@H](C)C1 ZINC000496130389 255356414 /nfs/dbraw/zinc/35/64/14/255356414.db2.gz SXWWROCTJMJGRI-KBPBESRZSA-N 1 3 341.500 1.745 20 0 EDADHO Cc1nccn1CCCN(C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496158912 255358837 /nfs/dbraw/zinc/35/88/37/255358837.db2.gz GVOJOPYOATUDAL-GOSISDBHSA-N 1 3 347.463 1.388 20 0 EDADHO O=C1O[C@]2(CN1CN1CCC[C@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860427 255333093 /nfs/dbraw/zinc/33/30/93/255333093.db2.gz ZTAVJVIZDYGXPL-HKUYNNGSSA-N 1 3 349.475 1.752 20 0 EDADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264130 255372310 /nfs/dbraw/zinc/37/23/10/255372310.db2.gz NPNFMWOUAIPZOL-BQFCYCMXSA-N 1 3 349.475 1.858 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415812392 304276964 /nfs/dbraw/zinc/27/69/64/304276964.db2.gz DDRIUYQCLSJSRC-WBVHZDCISA-N 1 3 344.459 1.287 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000168965199 533328754 /nfs/dbraw/zinc/32/87/54/533328754.db2.gz DHKHTOOKYMWJHP-NVXWUHKLSA-N 1 3 331.460 1.755 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063980 /nfs/dbraw/zinc/06/39/80/140063980.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 1 3 346.475 1.452 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063982 /nfs/dbraw/zinc/06/39/82/140063982.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 1 3 346.475 1.452 20 0 EDADHO CCN1CCN([C@H]2CC[N@@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263237 /nfs/dbraw/zinc/26/32/37/140263237.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@H]2CC[N@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263238 /nfs/dbraw/zinc/26/32/38/140263238.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@H]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263239 /nfs/dbraw/zinc/26/32/39/140263239.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@H]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263240 /nfs/dbraw/zinc/26/32/40/140263240.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000331318445 141007220 /nfs/dbraw/zinc/00/72/20/141007220.db2.gz KDZSAJLATWNKKP-RDJZCZTQSA-N 1 3 325.497 1.601 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC000333198070 141279668 /nfs/dbraw/zinc/27/96/68/141279668.db2.gz WTRNJXXVSBQHNT-UHFFFAOYSA-N 1 3 337.489 1.490 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333358954 141305215 /nfs/dbraw/zinc/30/52/15/141305215.db2.gz CONWGXADUCGCLD-YESZJQIVSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]([NH3+])CC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000340183493 142295295 /nfs/dbraw/zinc/29/52/95/142295295.db2.gz LDXJNNRTYRINJV-INIZCTEOSA-N 1 3 333.476 1.911 20 0 EDADHO CC[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)N(CC)CC ZINC000345712889 143124636 /nfs/dbraw/zinc/12/46/36/143124636.db2.gz HMNBPANVRFCSAJ-SFHVURJKSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H](CN1CCCC[C@@H]1CC(N)=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000346645277 143225831 /nfs/dbraw/zinc/22/58/31/143225831.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 1 3 338.496 1.082 20 0 EDADHO C[C@@H](CN1CCCC[C@@H]1CC(N)=O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000346645277 143225832 /nfs/dbraw/zinc/22/58/32/143225832.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 1 3 338.496 1.082 20 0 EDADHO C[C@H](CN1CCCC[C@H]1CC(N)=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000346645277 143225833 /nfs/dbraw/zinc/22/58/33/143225833.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 1 3 338.496 1.082 20 0 EDADHO C[C@H](CN1CCCC[C@H]1CC(N)=O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000346645277 143225834 /nfs/dbraw/zinc/22/58/34/143225834.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 1 3 338.496 1.082 20 0 EDADHO CCN(CC)c1ncc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000347216188 143296029 /nfs/dbraw/zinc/29/60/29/143296029.db2.gz RDIMURPYUKHBDL-ZDUSSCGKSA-N 1 3 339.509 1.276 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000353098362 149286269 /nfs/dbraw/zinc/28/62/69/149286269.db2.gz QGJXBJKFLYGLGL-OAHLLOKOSA-N 1 3 326.485 1.005 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000416969579 304357513 /nfs/dbraw/zinc/35/75/13/304357513.db2.gz BWUDKNAIAAFMNY-APWZRJJASA-N 1 3 342.487 1.963 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973791 304358640 /nfs/dbraw/zinc/35/86/40/304358640.db2.gz VQTVEVVZNAKBKK-ZBFHGGJFSA-N 1 3 334.464 1.506 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000416977110 304359621 /nfs/dbraw/zinc/35/96/21/304359621.db2.gz SFYVCPUPPNZJKG-WBVHZDCISA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000416980136 304360603 /nfs/dbraw/zinc/36/06/03/304360603.db2.gz YEJADOXPZNXUFS-QGZVFWFLSA-N 1 3 346.475 1.663 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000416986220 304361949 /nfs/dbraw/zinc/36/19/49/304361949.db2.gz IYHAGGPITSEFKT-MRXNPFEDSA-N 1 3 347.507 1.313 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417030075 304362564 /nfs/dbraw/zinc/36/25/64/304362564.db2.gz WCAFZHVRJXUHNL-KRWDZBQOSA-N 1 3 347.507 1.101 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000355502148 150294629 /nfs/dbraw/zinc/29/46/29/150294629.db2.gz GMBLHECPFQBCBD-AEFFLSMTSA-N 1 3 332.492 1.895 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036342 304363950 /nfs/dbraw/zinc/36/39/50/304363950.db2.gz HPJJYXHGRUTXDP-DLBZAZTESA-N 1 3 339.528 1.221 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000357913469 151193008 /nfs/dbraw/zinc/19/30/08/151193008.db2.gz NRRDVANLHKWVET-ZIAGYGMSSA-N 1 3 333.567 1.565 20 0 EDADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358227296 151311484 /nfs/dbraw/zinc/31/14/84/151311484.db2.gz DMYVWCLMPOCGKJ-BLLLJJGKSA-N 1 3 325.840 1.713 20 0 EDADHO C[C@@H](CC(=O)Nc1cccc(Cl)c1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358227296 151311487 /nfs/dbraw/zinc/31/14/87/151311487.db2.gz DMYVWCLMPOCGKJ-BLLLJJGKSA-N 1 3 325.840 1.713 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360572596 152103872 /nfs/dbraw/zinc/10/38/72/152103872.db2.gz XOZLTMWVXDQLBP-LJQANCHMSA-N 1 3 327.428 1.748 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360747459 152183613 /nfs/dbraw/zinc/18/36/13/152183613.db2.gz SKGIPZXDGGHLDZ-WBVHZDCISA-N 1 3 342.553 1.797 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360747459 152183616 /nfs/dbraw/zinc/18/36/16/152183616.db2.gz SKGIPZXDGGHLDZ-WBVHZDCISA-N 1 3 342.553 1.797 20 0 EDADHO CCC[C@H](N)C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370161000 155356614 /nfs/dbraw/zinc/35/66/14/155356614.db2.gz KJDZUTQOZDEWEW-GJZGRUSLSA-N 1 3 333.480 1.501 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417182802 304381368 /nfs/dbraw/zinc/38/13/68/304381368.db2.gz JKHFTINXFUHDAP-QZTJIDSGSA-N 1 3 332.492 1.976 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000364176633 153163704 /nfs/dbraw/zinc/16/37/04/153163704.db2.gz XFUHEGQKAXRSOD-IXDOHACOSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000364176633 153163705 /nfs/dbraw/zinc/16/37/05/153163705.db2.gz XFUHEGQKAXRSOD-IXDOHACOSA-N 1 3 338.496 1.269 20 0 EDADHO COCC[C@@]1(C(=O)NC2CCN(CCOC(C)C)CC2)CC[NH2+]C1 ZINC000364869733 153357035 /nfs/dbraw/zinc/35/70/35/153357035.db2.gz RJLUANADGSMPHP-SFHVURJKSA-N 1 3 341.496 1.008 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417243179 304387406 /nfs/dbraw/zinc/38/74/06/304387406.db2.gz VGNWLMMMJFLUNU-QGZVFWFLSA-N 1 3 333.480 1.592 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417243179 304387410 /nfs/dbraw/zinc/38/74/10/304387410.db2.gz VGNWLMMMJFLUNU-QGZVFWFLSA-N 1 3 333.480 1.592 20 0 EDADHO COCCN1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417297164 304390211 /nfs/dbraw/zinc/39/02/11/304390211.db2.gz NSHVOYUQAWGGSC-UHFFFAOYSA-N 1 3 340.512 1.709 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326562 304392115 /nfs/dbraw/zinc/39/21/15/304392115.db2.gz KIXIOTJAQLDPFC-CVEARBPZSA-N 1 3 340.512 1.646 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000575073481 306664436 /nfs/dbraw/zinc/66/44/36/306664436.db2.gz DANGQUJRRWGPPT-RDJZCZTQSA-N 1 3 332.448 1.493 20 0 EDADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378203416 158107572 /nfs/dbraw/zinc/10/75/72/158107572.db2.gz QURZIYYAGPLXNO-DLBZAZTESA-N 1 3 338.540 1.816 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCN1CCC2 ZINC000352148412 162012480 /nfs/dbraw/zinc/01/24/80/162012480.db2.gz LIDLKSBFMICCQT-RBUKOAKNSA-N 1 3 342.487 1.015 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCN1CCC2 ZINC000352148412 162012485 /nfs/dbraw/zinc/01/24/85/162012485.db2.gz LIDLKSBFMICCQT-RBUKOAKNSA-N 1 3 342.487 1.015 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352365282 162142530 /nfs/dbraw/zinc/14/25/30/162142530.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 1 3 332.492 1.290 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000352365282 162142532 /nfs/dbraw/zinc/14/25/32/162142532.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 1 3 332.492 1.290 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418168899 304458482 /nfs/dbraw/zinc/45/84/82/304458482.db2.gz MMKUCZIBTGGVNJ-CQSZACIVSA-N 1 3 334.464 1.648 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873253 287375679 /nfs/dbraw/zinc/37/56/79/287375679.db2.gz ASCYOFWKKCCVHA-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873253 287375682 /nfs/dbraw/zinc/37/56/82/287375682.db2.gz ASCYOFWKKCCVHA-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375701 304487848 /nfs/dbraw/zinc/48/78/48/304487848.db2.gz HULLSRPOJDNNRF-DLBZAZTESA-N 1 3 340.512 1.286 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394987 304490903 /nfs/dbraw/zinc/49/09/03/304490903.db2.gz YFKNFBDHPFOVNP-SJORKVTESA-N 1 3 340.512 1.646 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000193524829 272995218 /nfs/dbraw/zinc/99/52/18/272995218.db2.gz TUUZHHIWHRZULN-IEBWSBKVSA-N 1 3 344.503 1.846 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000655680199 452507088 /nfs/dbraw/zinc/50/70/88/452507088.db2.gz JOKXMGHTACDUCW-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275537138 268356765 /nfs/dbraw/zinc/35/67/65/268356765.db2.gz YBWDXQUAKCVWJZ-OAHLLOKOSA-N 1 3 348.491 1.576 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275537138 268356767 /nfs/dbraw/zinc/35/67/67/268356767.db2.gz YBWDXQUAKCVWJZ-OAHLLOKOSA-N 1 3 348.491 1.576 20 0 EDADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000103211158 272918731 /nfs/dbraw/zinc/91/87/31/272918731.db2.gz LFQJUWBWWNHTLL-UHFFFAOYSA-N 1 3 343.475 1.746 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000277422361 273195110 /nfs/dbraw/zinc/19/51/10/273195110.db2.gz AWLCGMIAFZJONO-CQSZACIVSA-N 1 3 337.439 1.913 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C3CCN(C=O)CC3)cc2)CC1 ZINC000278170884 273251633 /nfs/dbraw/zinc/25/16/33/273251633.db2.gz CKSVXKKLRVZLLC-UHFFFAOYSA-N 1 3 330.476 1.144 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)C)cc1 ZINC000123917206 274760083 /nfs/dbraw/zinc/76/00/83/274760083.db2.gz APGAQCJKBRQJKZ-FUHWJXTLSA-N 1 3 336.480 1.210 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000341192892 275794702 /nfs/dbraw/zinc/79/47/02/275794702.db2.gz QGWLVIAZTWCGFU-GOSISDBHSA-N 1 3 349.475 1.658 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000352157863 276044220 /nfs/dbraw/zinc/04/42/20/276044220.db2.gz ZRQUMVPTNWETLD-HOTGVXAUSA-N 1 3 340.512 1.212 20 0 EDADHO CN([C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371473190 277001965 /nfs/dbraw/zinc/00/19/65/277001965.db2.gz LXBJHDKPZBSEGF-SXLOBPIMSA-N 1 3 329.488 1.745 20 0 EDADHO CN([C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371473190 277001966 /nfs/dbraw/zinc/00/19/66/277001966.db2.gz LXBJHDKPZBSEGF-SXLOBPIMSA-N 1 3 329.488 1.745 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068605 /nfs/dbraw/zinc/06/86/05/277068605.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068606 /nfs/dbraw/zinc/06/86/06/277068606.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCN(CCCNC(=O)C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000262188009 277104895 /nfs/dbraw/zinc/10/48/95/277104895.db2.gz TWNMSRLKWAQYNU-IBGZPJMESA-N 1 3 344.503 1.481 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636352 277105460 /nfs/dbraw/zinc/10/54/60/277105460.db2.gz HTWNMLOGOLBNNJ-ROUUACIJSA-N 1 3 330.476 1.091 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000111834923 277222801 /nfs/dbraw/zinc/22/28/01/277222801.db2.gz ORZVFURPPANZTL-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO c1ccc(N2CCN(CCCN3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000286436058 288005286 /nfs/dbraw/zinc/00/52/86/288005286.db2.gz NGZDPWDSYCTUCH-FQEVSTJZSA-N 1 3 328.504 1.979 20 0 EDADHO c1ccc(N2CCN(CCCN3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000286436058 288005288 /nfs/dbraw/zinc/00/52/88/288005288.db2.gz NGZDPWDSYCTUCH-FQEVSTJZSA-N 1 3 328.504 1.979 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272754161 278228797 /nfs/dbraw/zinc/22/87/97/278228797.db2.gz JJRPDFSQIXKSPJ-MAUKXSAKSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000354298211 278345037 /nfs/dbraw/zinc/34/50/37/278345037.db2.gz XFDDHFJPGDOZAJ-HZPDHXFCSA-N 1 3 332.492 1.991 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000286875194 288109587 /nfs/dbraw/zinc/10/95/87/288109587.db2.gz DTRBHCVXNWMMQR-KBPBESRZSA-N 1 3 334.464 1.046 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078425 279260525 /nfs/dbraw/zinc/26/05/25/279260525.db2.gz VVMVWRGSSCEZMS-NVXWUHKLSA-N 1 3 334.464 1.314 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000174203985 279333717 /nfs/dbraw/zinc/33/37/17/279333717.db2.gz FHJPAXVXBHDNDQ-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000174203985 279333718 /nfs/dbraw/zinc/33/37/18/279333718.db2.gz FHJPAXVXBHDNDQ-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H](N)c2ccccc2)CCCO1 ZINC000418116596 288162597 /nfs/dbraw/zinc/16/25/97/288162597.db2.gz QOQOBYJNRJBYMV-NVXWUHKLSA-N 1 3 334.464 1.487 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](N)c2ccccc2)CCCO1 ZINC000418116596 288162598 /nfs/dbraw/zinc/16/25/98/288162598.db2.gz QOQOBYJNRJBYMV-NVXWUHKLSA-N 1 3 334.464 1.487 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000365341445 288193343 /nfs/dbraw/zinc/19/33/43/288193343.db2.gz WWMMGCGYCKJRJB-QZWWFDLISA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000365341445 288193345 /nfs/dbraw/zinc/19/33/45/288193345.db2.gz WWMMGCGYCKJRJB-QZWWFDLISA-N 1 3 338.496 1.221 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCCN1 ZINC000423170127 280185721 /nfs/dbraw/zinc/18/57/21/280185721.db2.gz LASIUYDVQGHAIN-SJORKVTESA-N 1 3 325.497 1.378 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000345476117 280248354 /nfs/dbraw/zinc/24/83/54/280248354.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000345476117 280248356 /nfs/dbraw/zinc/24/83/56/280248356.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 1 3 339.528 1.040 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000357606156 282017526 /nfs/dbraw/zinc/01/75/26/282017526.db2.gz LHPCJWVSJSWFLJ-HZPDHXFCSA-N 1 3 338.540 1.780 20 0 EDADHO CN(C)C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789035 282045033 /nfs/dbraw/zinc/04/50/33/282045033.db2.gz SWJWYGKQYNCHCX-XUVXKRRUSA-N 1 3 343.515 1.832 20 0 EDADHO CN(C)CCOc1cc(-c2noc(CC3CC[NH+](C)CC3)n2)ccn1 ZINC000290051885 288829555 /nfs/dbraw/zinc/82/95/55/288829555.db2.gz JUOCKLOAIDHONA-UHFFFAOYSA-N 1 3 345.447 1.956 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000290358611 288886065 /nfs/dbraw/zinc/88/60/65/288886065.db2.gz JIBWANYTYYTJBD-QZTJIDSGSA-N 1 3 329.488 1.836 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526768 289341578 /nfs/dbraw/zinc/34/15/78/289341578.db2.gz WMTBGPJENBCYGL-DLBZAZTESA-N 1 3 340.537 1.551 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526768 289341580 /nfs/dbraw/zinc/34/15/80/289341580.db2.gz WMTBGPJENBCYGL-DLBZAZTESA-N 1 3 340.537 1.551 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219809 /nfs/dbraw/zinc/21/98/09/290219809.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219811 /nfs/dbraw/zinc/21/98/11/290219811.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219813 /nfs/dbraw/zinc/21/98/13/290219813.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 1 3 343.515 1.868 20 0 EDADHO COCCNCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000418510328 304506172 /nfs/dbraw/zinc/50/61/72/304506172.db2.gz PLPIYOGBXKATJA-UHFFFAOYSA-N 1 3 328.501 1.566 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000419641160 304648375 /nfs/dbraw/zinc/64/83/75/304648375.db2.gz KZBDBCLLZYLXOJ-WMLDXEAASA-N 1 3 346.475 1.093 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642830 304648691 /nfs/dbraw/zinc/64/86/91/304648691.db2.gz GDRNCFYYZNGCRZ-GOEBONIOSA-N 1 3 348.491 1.332 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417734339 300324585 /nfs/dbraw/zinc/32/45/85/300324585.db2.gz KDANBSZHNCBPIU-YOEHRIQHSA-N 1 3 330.476 1.383 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976639 453293932 /nfs/dbraw/zinc/29/39/32/453293932.db2.gz MGWMIPFVHXOLOY-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153566 /nfs/dbraw/zinc/15/35/66/303153566.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@@H+]1CC[C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153568 /nfs/dbraw/zinc/15/35/68/303153568.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 1 3 331.504 1.726 20 0 EDADHO CC[N@H+]1CC[C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153569 /nfs/dbraw/zinc/15/35/69/303153569.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 1 3 331.504 1.726 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000294993152 303160292 /nfs/dbraw/zinc/16/02/92/303160292.db2.gz HUPFCJAAYGPXDX-GDBMZVCRSA-N 1 3 346.475 1.711 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000294993152 303160293 /nfs/dbraw/zinc/16/02/93/303160293.db2.gz HUPFCJAAYGPXDX-GDBMZVCRSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914448 304879890 /nfs/dbraw/zinc/87/98/90/304879890.db2.gz UGQLCYOQTDTZHG-CRAIPNDOSA-N 1 3 332.492 1.598 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000423894652 304914142 /nfs/dbraw/zinc/91/41/42/304914142.db2.gz LZLJIVABABWLNE-FUHWJXTLSA-N 1 3 331.460 1.948 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000424453639 304930066 /nfs/dbraw/zinc/93/00/66/304930066.db2.gz KOSBPLLZALUIMC-HNNXBMFYSA-N 1 3 344.459 1.337 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000429106953 305023987 /nfs/dbraw/zinc/02/39/87/305023987.db2.gz NVFWWGPAYRPTIG-SFHVURJKSA-N 1 3 344.503 1.705 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC[C@H]2CCCO2)[C@H](C)C1 ZINC000430702928 305062924 /nfs/dbraw/zinc/06/29/24/305062924.db2.gz DEXMIPLHERFDDO-ZACQAIPSSA-N 1 3 341.496 1.008 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC[C@H]2CCCO2)[C@H](C)C1 ZINC000430702928 305062925 /nfs/dbraw/zinc/06/29/25/305062925.db2.gz DEXMIPLHERFDDO-ZACQAIPSSA-N 1 3 341.496 1.008 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842589 305065786 /nfs/dbraw/zinc/06/57/86/305065786.db2.gz USUXCHLLTZCIGO-PKOBYXMFSA-N 1 3 331.460 1.393 20 0 EDADHO COc1ccccc1CNC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037732 305073434 /nfs/dbraw/zinc/07/34/34/305073434.db2.gz PKLDXJCBUKARLQ-OAHLLOKOSA-N 1 3 331.460 1.775 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000431039797 305073489 /nfs/dbraw/zinc/07/34/89/305073489.db2.gz YBIYQEYUERCBNJ-KRWDZBQOSA-N 1 3 341.496 1.104 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660701346 453524729 /nfs/dbraw/zinc/52/47/29/453524729.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660701346 453524736 /nfs/dbraw/zinc/52/47/36/453524736.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443686418 305240931 /nfs/dbraw/zinc/24/09/31/305240931.db2.gz XBHHFQYYJMVCPW-QBPKDAKJSA-N 1 3 325.497 1.865 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212353 305293861 /nfs/dbraw/zinc/29/38/61/305293861.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 1 3 332.492 1.881 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212353 305293862 /nfs/dbraw/zinc/29/38/62/305293862.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 1 3 332.492 1.881 20 0 EDADHO COC(=O)COC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000449165848 305308504 /nfs/dbraw/zinc/30/85/04/305308504.db2.gz BDDALJZHJMMYSE-MRXNPFEDSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000449337515 305311869 /nfs/dbraw/zinc/31/18/69/305311869.db2.gz BWTOPZDVKYPMAD-UKPHBRMFSA-N 1 3 344.459 1.178 20 0 EDADHO CO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C1(C)C ZINC000451505753 305349947 /nfs/dbraw/zinc/34/99/47/305349947.db2.gz RTOPBVIDLUIFGE-IXDOHACOSA-N 1 3 333.476 1.809 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2CCO)CCCCC1 ZINC000452371203 305394072 /nfs/dbraw/zinc/39/40/72/305394072.db2.gz HPPGZENQIMEVRG-INIZCTEOSA-N 1 3 325.497 1.462 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909850 447353614 /nfs/dbraw/zinc/35/36/14/447353614.db2.gz CNYIQXJKTOEHOG-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO Cc1ccccc1OCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524899561 305821003 /nfs/dbraw/zinc/82/10/03/305821003.db2.gz BEBDELCHVWJYMY-UHFFFAOYSA-N 1 3 336.480 1.509 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2nccnc2cc1F ZINC000527207277 305842378 /nfs/dbraw/zinc/84/23/78/305842378.db2.gz YOIXHNMQBWYJFD-UHFFFAOYSA-N 1 3 333.411 1.334 20 0 EDADHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1 ZINC000532255347 305977818 /nfs/dbraw/zinc/97/78/18/305977818.db2.gz LHHPCPGISNUURX-UHFFFAOYSA-N 1 3 336.480 1.638 20 0 EDADHO CC(C)C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000538644129 306031185 /nfs/dbraw/zinc/03/11/85/306031185.db2.gz RPHSFZWKRZOMCI-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@@H+]1C ZINC000548102793 306119983 /nfs/dbraw/zinc/11/99/83/306119983.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@H+]1C ZINC000548102793 306119984 /nfs/dbraw/zinc/11/99/84/306119984.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000551739249 306160813 /nfs/dbraw/zinc/16/08/13/306160813.db2.gz YUMFITBMTVLBQG-MOPGFXCFSA-N 1 3 347.503 1.718 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197034 306226174 /nfs/dbraw/zinc/22/61/74/306226174.db2.gz NLUDPCBMRJNPIH-MSOLQXFVSA-N 1 3 330.476 1.950 20 0 EDADHO COCC1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000557218825 306226634 /nfs/dbraw/zinc/22/66/34/306226634.db2.gz FJJXKKXVXZQVLE-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H](CN)c2ccc3ccccc3c2)C1 ZINC000414955997 447371995 /nfs/dbraw/zinc/37/19/95/447371995.db2.gz PJRBTFWKQAZMQW-HNAYVOBHSA-N 1 3 340.471 1.627 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000414984529 447384848 /nfs/dbraw/zinc/38/48/48/447384848.db2.gz MDHAOZKCDCNOPC-HNNXBMFYSA-N 1 3 346.475 1.439 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000414984529 447384854 /nfs/dbraw/zinc/38/48/54/447384854.db2.gz MDHAOZKCDCNOPC-HNNXBMFYSA-N 1 3 346.475 1.439 20 0 EDADHO COC(=O)c1cc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)oc1C ZINC000414984048 447385218 /nfs/dbraw/zinc/38/52/18/447385218.db2.gz FRAZXWIDNYXFRC-WBVHZDCISA-N 1 3 349.431 1.111 20 0 EDADHO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415114821 447391538 /nfs/dbraw/zinc/39/15/38/447391538.db2.gz UFIYSOKWPWOIQI-HUUCEWRRSA-N 1 3 343.475 1.904 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000415296586 447403967 /nfs/dbraw/zinc/40/39/67/447403967.db2.gz MTGWJCDPFIMOBH-CZUORRHYSA-N 1 3 332.448 1.586 20 0 EDADHO CN1CCC(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)CC1 ZINC000378390335 447423327 /nfs/dbraw/zinc/42/33/27/447423327.db2.gz BVSNIGHSOGLQAM-UHFFFAOYSA-N 1 3 337.508 1.604 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)NCCN2CCCCC2)c1 ZINC000045195514 440960953 /nfs/dbraw/zinc/96/09/53/440960953.db2.gz BBYUEVTYDPCMJD-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C(C)C ZINC000102551662 441169287 /nfs/dbraw/zinc/16/92/87/441169287.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 1 3 341.544 1.288 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C(C)C ZINC000102551662 441169291 /nfs/dbraw/zinc/16/92/91/441169291.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 1 3 341.544 1.288 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)o1 ZINC000103211554 441177131 /nfs/dbraw/zinc/17/71/31/441177131.db2.gz NVBOZLOVADYTMZ-UHFFFAOYSA-N 1 3 332.242 1.608 20 0 EDADHO CN1CCN(CCCCNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000104782826 441208660 /nfs/dbraw/zinc/20/86/60/441208660.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO CN1CCN(CCCCNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000104782826 441208662 /nfs/dbraw/zinc/20/86/62/441208662.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000048669284 441322500 /nfs/dbraw/zinc/32/25/00/441322500.db2.gz TXUSAZICOHRIGX-UHFFFAOYSA-N 1 3 334.464 1.535 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)c1ccccc1OCCN(C)C ZINC000063744258 441349241 /nfs/dbraw/zinc/34/92/41/441349241.db2.gz KEFGSIJWSPLDES-UHFFFAOYSA-N 1 3 337.464 1.325 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)c1ccccc1OCCN(C)C ZINC000063744258 441349245 /nfs/dbraw/zinc/34/92/45/441349245.db2.gz KEFGSIJWSPLDES-UHFFFAOYSA-N 1 3 337.464 1.325 20 0 EDADHO CC[C@H](O)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459811 441657879 /nfs/dbraw/zinc/65/78/79/441657879.db2.gz CYICSDHCEMKJEV-SJORKVTESA-N 1 3 325.497 1.601 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000173324599 441713123 /nfs/dbraw/zinc/71/31/23/441713123.db2.gz ICIITGGJFFZQJS-ROUUACIJSA-N 1 3 328.460 1.945 20 0 EDADHO CCOc1c(OC)cc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC ZINC000077450393 441782759 /nfs/dbraw/zinc/78/27/59/441782759.db2.gz JXDQLEYZTLHHMT-UHFFFAOYSA-N 1 3 338.448 1.649 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000121870105 441799717 /nfs/dbraw/zinc/79/97/17/441799717.db2.gz GGVKMXKCXQTBLV-CQSZACIVSA-N 1 3 326.403 1.980 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000121870105 441799721 /nfs/dbraw/zinc/79/97/21/441799721.db2.gz GGVKMXKCXQTBLV-CQSZACIVSA-N 1 3 326.403 1.980 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093135178 441859209 /nfs/dbraw/zinc/85/92/09/441859209.db2.gz BZFKGAQOPGWNDX-QGZVFWFLSA-N 1 3 331.464 1.691 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)CC2(N3CCOCC3)CCCC2)cn1 ZINC000118782142 441903696 /nfs/dbraw/zinc/90/36/96/441903696.db2.gz KEKXHFINHZOILX-UHFFFAOYSA-N 1 3 349.479 1.418 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000123445549 441886635 /nfs/dbraw/zinc/88/66/35/441886635.db2.gz PMGYYHZKPVNQKG-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000162551955 442103543 /nfs/dbraw/zinc/10/35/43/442103543.db2.gz CKTLYPFQUHORTE-QYZOEREBSA-N 1 3 338.540 1.103 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000167793745 442222558 /nfs/dbraw/zinc/22/25/58/442222558.db2.gz QPJNIFVKMIVXQJ-CRAIPNDOSA-N 1 3 331.460 1.707 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000168749913 442225532 /nfs/dbraw/zinc/22/55/32/442225532.db2.gz GBQIRFNMYZZKJL-KRWDZBQOSA-N 1 3 344.459 1.593 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000171199384 442326251 /nfs/dbraw/zinc/32/62/51/442326251.db2.gz AUJOWSDFNFRCMH-INIZCTEOSA-N 1 3 340.512 1.518 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000171200915 442327065 /nfs/dbraw/zinc/32/70/65/442327065.db2.gz USRCNEDCDWQBEA-HZPDHXFCSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221123 442315042 /nfs/dbraw/zinc/31/50/42/442315042.db2.gz NGZGEEOETQHASF-JKSUJKDBSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221123 442315046 /nfs/dbraw/zinc/31/50/46/442315046.db2.gz NGZGEEOETQHASF-JKSUJKDBSA-N 1 3 335.492 1.763 20 0 EDADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)c1 ZINC000131167114 442366214 /nfs/dbraw/zinc/36/62/14/442366214.db2.gz FCXMWAVDKKMDKT-UHFFFAOYSA-N 1 3 338.452 1.661 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC000171982279 442395983 /nfs/dbraw/zinc/39/59/83/442395983.db2.gz GZWXRGWZEXCHPE-MJGOQNOKSA-N 1 3 346.519 1.679 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178755068 442475000 /nfs/dbraw/zinc/47/50/00/442475000.db2.gz VKYLURXNKHLTMJ-GOSISDBHSA-N 1 3 347.528 1.905 20 0 EDADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180870140 442666344 /nfs/dbraw/zinc/66/63/44/442666344.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 1 3 333.476 1.600 20 0 EDADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180870140 442666345 /nfs/dbraw/zinc/66/63/45/442666345.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 1 3 333.476 1.600 20 0 EDADHO Cc1ccc(OC[C@H](O)CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180935598 442670044 /nfs/dbraw/zinc/67/00/44/442670044.db2.gz GGQSBNZSENRYLU-LJQANCHMSA-N 1 3 349.519 1.693 20 0 EDADHO CCN1CCN([C@H]2CC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710728 /nfs/dbraw/zinc/71/07/28/442710728.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 1 3 348.510 1.969 20 0 EDADHO CCN1CCN([C@H]2CC[N@@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710731 /nfs/dbraw/zinc/71/07/31/442710731.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 1 3 348.510 1.969 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N1CCCCCC1 ZINC000193669881 442766207 /nfs/dbraw/zinc/76/62/07/442766207.db2.gz NCQZDQRYYRARAD-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188762612 442807484 /nfs/dbraw/zinc/80/74/84/442807484.db2.gz NWXXDOFKWIEZGW-RCCFBDPRSA-N 1 3 349.450 1.248 20 0 EDADHO COC[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000265796444 442924327 /nfs/dbraw/zinc/92/43/27/442924327.db2.gz NHZOOWQAFOYKEG-IBGZPJMESA-N 1 3 345.487 1.867 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141870 442988357 /nfs/dbraw/zinc/98/83/57/442988357.db2.gz DZLHIFISUNCAAS-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141870 442988359 /nfs/dbraw/zinc/98/83/59/442988359.db2.gz DZLHIFISUNCAAS-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCC[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000195140483 442988833 /nfs/dbraw/zinc/98/88/33/442988833.db2.gz BIXGSTRBBYDCJD-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185047022 443124582 /nfs/dbraw/zinc/12/45/82/443124582.db2.gz QXPIRKWTEXXUDJ-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000185348637 443187685 /nfs/dbraw/zinc/18/76/85/443187685.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)[N@@H+](C)C1CC1 ZINC000185348637 443187689 /nfs/dbraw/zinc/18/76/89/443187689.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000262730803 443209444 /nfs/dbraw/zinc/20/94/44/443209444.db2.gz BMQFVKLUUWUSAT-XHSDSOJGSA-N 1 3 327.538 1.956 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CSCCN2)C1 ZINC000262730803 443209448 /nfs/dbraw/zinc/20/94/48/443209448.db2.gz BMQFVKLUUWUSAT-XHSDSOJGSA-N 1 3 327.538 1.956 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522691 319135341 /nfs/dbraw/zinc/13/53/41/319135341.db2.gz VKJSFDFFMXROHG-HUUCEWRRSA-N 1 3 341.496 1.869 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692706 319343413 /nfs/dbraw/zinc/34/34/13/319343413.db2.gz KWRDEEQFKNCXQR-QFBILLFUSA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692706 319343416 /nfs/dbraw/zinc/34/34/16/319343416.db2.gz KWRDEEQFKNCXQR-QFBILLFUSA-N 1 3 345.487 1.556 20 0 EDADHO c1nc(N2CCOCC2)sc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776333 319343960 /nfs/dbraw/zinc/34/39/60/319343960.db2.gz HBHKIVWIBUHVKN-CABCVRRESA-N 1 3 336.505 1.801 20 0 EDADHO COc1cccc(C[C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992647 319344185 /nfs/dbraw/zinc/34/41/85/319344185.db2.gz TYOGAFLVJXJXHQ-TZMCWYRMSA-N 1 3 346.397 1.447 20 0 EDADHO C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221994 319353274 /nfs/dbraw/zinc/35/32/74/319353274.db2.gz PSIROSHJODXLFG-BBRMVZONSA-N 1 3 330.432 1.169 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415975570 319387080 /nfs/dbraw/zinc/38/70/80/319387080.db2.gz QBCAKAYUSVSLMG-UHFFFAOYSA-N 1 3 336.436 1.211 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000269700325 443401519 /nfs/dbraw/zinc/40/15/19/443401519.db2.gz POLNDKSLHISREJ-MRXNPFEDSA-N 1 3 345.491 1.954 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000269700325 443401522 /nfs/dbraw/zinc/40/15/22/443401522.db2.gz POLNDKSLHISREJ-MRXNPFEDSA-N 1 3 345.491 1.954 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000269700325 443401524 /nfs/dbraw/zinc/40/15/24/443401524.db2.gz POLNDKSLHISREJ-MRXNPFEDSA-N 1 3 345.491 1.954 20 0 EDADHO C[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794135 443448400 /nfs/dbraw/zinc/44/84/00/443448400.db2.gz CNVDEWAPTXJAAF-ZFWWWQNUSA-N 1 3 325.478 1.859 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000423318053 319763765 /nfs/dbraw/zinc/76/37/65/319763765.db2.gz BXVAABSOIZWRKX-RDTXWAMCSA-N 1 3 331.460 1.970 20 0 EDADHO COC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000423388550 319769311 /nfs/dbraw/zinc/76/93/11/319769311.db2.gz UDLAVBTUFABXGY-JXFKEZNVSA-N 1 3 345.487 1.954 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693465 320048345 /nfs/dbraw/zinc/04/83/45/320048345.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439693465 320048346 /nfs/dbraw/zinc/04/83/46/320048346.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449361385 320183852 /nfs/dbraw/zinc/18/38/52/320183852.db2.gz JGJNNOGHFCDRPX-DOTOQJQBSA-N 1 3 325.497 1.900 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000449715883 320201691 /nfs/dbraw/zinc/20/16/91/320201691.db2.gz BXCDAFPMYJEUHT-ROUUACIJSA-N 1 3 344.503 1.751 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)CC1(N2CCOCC2)CCCC1)C(F)(F)F ZINC000449723555 320202138 /nfs/dbraw/zinc/20/21/38/320202138.db2.gz FWLYMTPMTICTAJ-GFCCVEGCSA-N 1 3 337.386 1.417 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725714 320333676 /nfs/dbraw/zinc/33/36/76/320333676.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725714 320333677 /nfs/dbraw/zinc/33/36/77/320333677.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO COc1cccc(OC)c1OC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000516867974 320442300 /nfs/dbraw/zinc/44/23/00/320442300.db2.gz FNQSQXXMMHEYOO-UHFFFAOYSA-N 1 3 349.475 1.452 20 0 EDADHO CC(C)n1ncc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cnc21 ZINC000531357587 320656889 /nfs/dbraw/zinc/65/68/89/320656889.db2.gz FXTUUBIBPXQVQP-UHFFFAOYSA-N 1 3 346.479 1.578 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277305734 443959048 /nfs/dbraw/zinc/95/90/48/443959048.db2.gz ULALJJSNMFPNQV-MSOLQXFVSA-N 1 3 336.476 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277305734 443959050 /nfs/dbraw/zinc/95/90/50/443959050.db2.gz ULALJJSNMFPNQV-MSOLQXFVSA-N 1 3 336.476 1.989 20 0 EDADHO C[NH+](C)CC1(NC(=O)CCN2CCN(c3ccccc3)CC2)CCC1 ZINC000281821054 444014641 /nfs/dbraw/zinc/01/46/41/444014641.db2.gz VQNNDMLZDSTIRT-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1Cc1ccccc1 ZINC000561195461 321036166 /nfs/dbraw/zinc/03/61/66/321036166.db2.gz VGMRDHCGHRDSQQ-WJNMYVKJSA-N 1 3 328.460 1.557 20 0 EDADHO CN1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214895 321036422 /nfs/dbraw/zinc/03/64/22/321036422.db2.gz DYTFBIPDXUYSNN-QZTJIDSGSA-N 1 3 341.459 1.124 20 0 EDADHO CC(C)C[C@@H](CNC(=O)COC1CNC1)[NH2+][C@H](C)c1ccccc1 ZINC000563074557 321093677 /nfs/dbraw/zinc/09/36/77/321093677.db2.gz GHVQVWNMHAAAEM-WBVHZDCISA-N 1 3 333.476 1.857 20 0 EDADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000565540493 321190531 /nfs/dbraw/zinc/19/05/31/321190531.db2.gz XKKLUFUQOYBPHC-HUUCEWRRSA-N 1 3 327.428 1.325 20 0 EDADHO COCCC[NH+]1CCC(NCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278104974 444097303 /nfs/dbraw/zinc/09/73/03/444097303.db2.gz ADFQCAGGOBNAGZ-UHFFFAOYSA-N 1 3 345.443 1.373 20 0 EDADHO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H]1CCCNC1 ZINC000566088826 321214336 /nfs/dbraw/zinc/21/43/36/321214336.db2.gz SDQPBSCNUPYYJT-KBPBESRZSA-N 1 3 331.526 1.557 20 0 EDADHO CCOC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000566105543 321215314 /nfs/dbraw/zinc/21/53/14/321215314.db2.gz MKQVDNOXSSJDCR-IBGZPJMESA-N 1 3 335.492 1.311 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568770194 321305840 /nfs/dbraw/zinc/30/58/40/321305840.db2.gz VNSCHZYXGMTFOE-ROUUACIJSA-N 1 3 330.476 1.682 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083121 321317434 /nfs/dbraw/zinc/31/74/34/321317434.db2.gz KMBRKRCCJONWCN-CQSZACIVSA-N 1 3 344.459 1.119 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460452 444149737 /nfs/dbraw/zinc/14/97/37/444149737.db2.gz OJJFLSAUTRXAAB-INIZCTEOSA-N 1 3 336.480 1.649 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460452 444149741 /nfs/dbraw/zinc/14/97/41/444149741.db2.gz OJJFLSAUTRXAAB-INIZCTEOSA-N 1 3 336.480 1.649 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738525 444197114 /nfs/dbraw/zinc/19/71/14/444197114.db2.gz GZAVFCLIULMSHU-GOEBONIOSA-N 1 3 335.448 1.294 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738525 444197116 /nfs/dbraw/zinc/19/71/16/444197116.db2.gz GZAVFCLIULMSHU-GOEBONIOSA-N 1 3 335.448 1.294 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cn1cccn1 ZINC000310816969 444293157 /nfs/dbraw/zinc/29/31/57/444293157.db2.gz JEQNRQAXAJGVHC-UAFMIMERSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cn1cccn1 ZINC000310816969 444293159 /nfs/dbraw/zinc/29/31/59/444293159.db2.gz JEQNRQAXAJGVHC-UAFMIMERSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cn1cccn1 ZINC000310816969 444293163 /nfs/dbraw/zinc/29/31/63/444293163.db2.gz JEQNRQAXAJGVHC-UAFMIMERSA-N 1 3 340.471 1.744 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000337692481 444356197 /nfs/dbraw/zinc/35/61/97/444356197.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000337692481 444356200 /nfs/dbraw/zinc/35/62/00/444356200.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578425174 321771822 /nfs/dbraw/zinc/77/18/22/321771822.db2.gz PFBRZJGOSVTOHR-DLBZAZTESA-N 1 3 346.475 1.520 20 0 EDADHO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@H]3CNCCO3)nc2)C1 ZINC000580062659 322003162 /nfs/dbraw/zinc/00/31/62/322003162.db2.gz PAVVHWDVURWGFC-ZHALLVOQSA-N 1 3 345.491 1.401 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497956 /nfs/dbraw/zinc/49/79/56/444497956.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 1 3 338.540 1.497 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497959 /nfs/dbraw/zinc/49/79/59/444497959.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 1 3 338.540 1.497 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122476 /nfs/dbraw/zinc/12/24/76/322122476.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 1 3 345.491 1.106 20 0 EDADHO CC[N@H+](CCC1CCN(C[C@@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706308 444532639 /nfs/dbraw/zinc/53/26/39/444532639.db2.gz GLKOFOHMOHFZPU-GOSISDBHSA-N 1 3 326.481 1.744 20 0 EDADHO CC[N@@H+](CCC1CCN(C[C@@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706308 444532644 /nfs/dbraw/zinc/53/26/44/444532644.db2.gz GLKOFOHMOHFZPU-GOSISDBHSA-N 1 3 326.481 1.744 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340863924 444550040 /nfs/dbraw/zinc/55/00/40/444550040.db2.gz WICPUYUSFZRHAN-BPQIPLTHSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340863924 444550042 /nfs/dbraw/zinc/55/00/42/444550042.db2.gz WICPUYUSFZRHAN-BPQIPLTHSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000341009040 444628206 /nfs/dbraw/zinc/62/82/06/444628206.db2.gz DTHOQFWYUAETAG-KBAYOESNSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000341009040 444628208 /nfs/dbraw/zinc/62/82/08/444628208.db2.gz DTHOQFWYUAETAG-KBAYOESNSA-N 1 3 332.492 1.941 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341012107 444631005 /nfs/dbraw/zinc/63/10/05/444631005.db2.gz HPUSPGYWPZTRAG-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341012107 444631007 /nfs/dbraw/zinc/63/10/07/444631007.db2.gz HPUSPGYWPZTRAG-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604466 /nfs/dbraw/zinc/60/44/66/444604466.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604472 /nfs/dbraw/zinc/60/44/72/444604472.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940032 444683247 /nfs/dbraw/zinc/68/32/47/444683247.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 1 3 332.444 1.508 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940032 444683250 /nfs/dbraw/zinc/68/32/50/444683250.db2.gz NBUAGAAKIDRAGW-OALUTQOASA-N 1 3 332.444 1.508 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000333126348 444641571 /nfs/dbraw/zinc/64/15/71/444641571.db2.gz BCTPZJICZNRLMC-FQLMCAECSA-N 1 3 326.510 1.193 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000341154192 444700328 /nfs/dbraw/zinc/70/03/28/444700328.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 1 3 338.496 1.271 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000341154192 444700333 /nfs/dbraw/zinc/70/03/33/444700333.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188387 444718145 /nfs/dbraw/zinc/71/81/45/444718145.db2.gz DAIFKKQJGQBQHA-CVEARBPZSA-N 1 3 333.480 1.638 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188387 444718151 /nfs/dbraw/zinc/71/81/51/444718151.db2.gz DAIFKKQJGQBQHA-CVEARBPZSA-N 1 3 333.480 1.638 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000341209530 444730785 /nfs/dbraw/zinc/73/07/85/444730785.db2.gz GPQIFNPHVUNANW-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794433 444697900 /nfs/dbraw/zinc/69/79/00/444697900.db2.gz GTBWWGNUYGJNHX-OAHLLOKOSA-N 1 3 338.496 1.543 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000342691673 444816777 /nfs/dbraw/zinc/81/67/77/444816777.db2.gz IHNXJSCEQNFXCT-RHSMWYFYSA-N 1 3 347.459 1.609 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341427909 444823925 /nfs/dbraw/zinc/82/39/25/444823925.db2.gz HTEUYKBZENVLJM-QGZVFWFLSA-N 1 3 337.533 1.947 20 0 EDADHO COCCN1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000341473933 444850673 /nfs/dbraw/zinc/85/06/73/444850673.db2.gz STEIZAPJDINDTA-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000343020657 445009528 /nfs/dbraw/zinc/00/95/28/445009528.db2.gz UUXPYSRCDGUEHV-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO COCCCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343248703 445159610 /nfs/dbraw/zinc/15/96/10/445159610.db2.gz WHJNWRKEECWUMY-KZNAEPCWSA-N 1 3 325.497 1.234 20 0 EDADHO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000343425297 445220037 /nfs/dbraw/zinc/22/00/37/445220037.db2.gz VNXFTRUIWWJYKB-XLIONFOSSA-N 1 3 330.520 1.864 20 0 EDADHO C[C@@H]([NH2+]CCNc1cnccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348099169 445267617 /nfs/dbraw/zinc/26/76/17/445267617.db2.gz WFOPQRAZIZQBPG-AEFFLSMTSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H](NCCNc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099169 445267620 /nfs/dbraw/zinc/26/76/20/445267620.db2.gz WFOPQRAZIZQBPG-AEFFLSMTSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H](NCCNc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099169 445267623 /nfs/dbraw/zinc/26/76/23/445267623.db2.gz WFOPQRAZIZQBPG-AEFFLSMTSA-N 1 3 325.460 2.389 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCCS(=O)(=O)N(C)C ZINC000348367633 445268107 /nfs/dbraw/zinc/26/81/07/445268107.db2.gz FDXXDMSENQSAPS-HOTGVXAUSA-N 1 3 333.542 1.758 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC000348367633 445268111 /nfs/dbraw/zinc/26/81/11/445268111.db2.gz FDXXDMSENQSAPS-HOTGVXAUSA-N 1 3 333.542 1.758 20 0 EDADHO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348102381 445269216 /nfs/dbraw/zinc/26/92/16/445269216.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348102381 445269218 /nfs/dbraw/zinc/26/92/18/445269218.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 1 3 337.487 1.749 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCN1C ZINC000343619076 445265654 /nfs/dbraw/zinc/26/56/54/445265654.db2.gz JQPKDBOCBXIIEF-CRAIPNDOSA-N 1 3 348.491 1.909 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122302 445280059 /nfs/dbraw/zinc/28/00/59/445280059.db2.gz DBPOTILIFYTJDD-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCCN1C ZINC000343655302 445285760 /nfs/dbraw/zinc/28/57/60/445285760.db2.gz OXNJLXVLGJKKEQ-CRAIPNDOSA-N 1 3 348.491 1.909 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000351808794 445328288 /nfs/dbraw/zinc/32/82/88/445328288.db2.gz LPSBFJLNQRSTCO-NVXWUHKLSA-N 1 3 340.512 1.611 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078799 445412339 /nfs/dbraw/zinc/41/23/39/445412339.db2.gz LZXHJEIMKDDPLC-GJZGRUSLSA-N 1 3 327.428 1.604 20 0 EDADHO CN1CC=C(CNC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000359714775 445388784 /nfs/dbraw/zinc/38/87/84/445388784.db2.gz BORYKJPJGWYYTR-UHFFFAOYSA-N 1 3 347.463 1.083 20 0 EDADHO CN1CCC[C@H](CNC(=O)CCOC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000348990748 445467420 /nfs/dbraw/zinc/46/74/20/445467420.db2.gz FUDKXGOKSAXPGI-DYVFJYSZSA-N 1 3 337.489 1.626 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000359922380 445489946 /nfs/dbraw/zinc/48/99/46/445489946.db2.gz GVWRSZYBTHHERB-QGZVFWFLSA-N 1 3 341.544 1.386 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000359922380 445489948 /nfs/dbraw/zinc/48/99/48/445489948.db2.gz GVWRSZYBTHHERB-QGZVFWFLSA-N 1 3 341.544 1.386 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000362808966 445559198 /nfs/dbraw/zinc/55/91/98/445559198.db2.gz NADRUFBHTMLIBP-JKSUJKDBSA-N 1 3 331.464 1.508 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358116077 445604956 /nfs/dbraw/zinc/60/49/56/445604956.db2.gz GRUNOJNYVXOUQA-HNNXBMFYSA-N 1 3 327.517 1.040 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358116077 445604961 /nfs/dbraw/zinc/60/49/61/445604961.db2.gz GRUNOJNYVXOUQA-HNNXBMFYSA-N 1 3 327.517 1.040 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360243152 445651986 /nfs/dbraw/zinc/65/19/86/445651986.db2.gz UDKZPHWNHOMHRT-HOCLYGCPSA-N 1 3 328.526 1.597 20 0 EDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576326 445663199 /nfs/dbraw/zinc/66/31/99/445663199.db2.gz FPBAIGUQXOEAIA-NVXWUHKLSA-N 1 3 346.475 1.840 20 0 EDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576326 445663202 /nfs/dbraw/zinc/66/32/02/445663202.db2.gz FPBAIGUQXOEAIA-NVXWUHKLSA-N 1 3 346.475 1.840 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCNc1ccncc1 ZINC000356235217 445691554 /nfs/dbraw/zinc/69/15/54/445691554.db2.gz LGNHPQPMFKJRSK-INIZCTEOSA-N 1 3 333.480 1.869 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCNc1ccncc1 ZINC000356235217 445691558 /nfs/dbraw/zinc/69/15/58/445691558.db2.gz LGNHPQPMFKJRSK-INIZCTEOSA-N 1 3 333.480 1.869 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000349756985 445668234 /nfs/dbraw/zinc/66/82/34/445668234.db2.gz JMCBTPUVMQRTTQ-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000349929653 445723228 /nfs/dbraw/zinc/72/32/28/445723228.db2.gz CHTOEBFRIMSTEI-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000349929653 445723234 /nfs/dbraw/zinc/72/32/34/445723234.db2.gz CHTOEBFRIMSTEI-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO N[C@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353734690 445731471 /nfs/dbraw/zinc/73/14/71/445731471.db2.gz HDWZJYFUYMIKAK-OASPWFOLSA-N 1 3 333.329 1.509 20 0 EDADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)CN1 ZINC000356378198 445759960 /nfs/dbraw/zinc/75/99/60/445759960.db2.gz YUSAOPUORGAOPH-QZTJIDSGSA-N 1 3 344.503 1.798 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000361479815 445780473 /nfs/dbraw/zinc/78/04/73/445780473.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000361479815 445780474 /nfs/dbraw/zinc/78/04/74/445780474.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353914855 445811136 /nfs/dbraw/zinc/81/11/36/445811136.db2.gz LJMBPHLDXIAQBI-RCCFBDPRSA-N 1 3 339.524 1.972 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915564 /nfs/dbraw/zinc/91/55/64/445915564.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 1 3 334.508 1.841 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915571 /nfs/dbraw/zinc/91/55/71/445915571.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 1 3 334.508 1.841 20 0 EDADHO O=C1NC(=O)C2(CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)N1 ZINC000364841646 445960529 /nfs/dbraw/zinc/96/05/29/445960529.db2.gz AFRQAAQGMVXWOB-UHFFFAOYSA-N 1 3 348.491 1.894 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000582726099 325912851 /nfs/dbraw/zinc/91/28/51/325912851.db2.gz NEGCNLKZKUYZPE-HRCADAONSA-N 1 3 340.512 1.101 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000361886953 446040781 /nfs/dbraw/zinc/04/07/81/446040781.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 1 3 331.504 1.942 20 0 EDADHO CO[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000359221408 446051486 /nfs/dbraw/zinc/05/14/86/446051486.db2.gz QPWUXHYBIVVLHT-RBUKOAKNSA-N 1 3 345.487 1.863 20 0 EDADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000583201603 326025544 /nfs/dbraw/zinc/02/55/44/326025544.db2.gz LZODINGPCSOCJD-OAHLLOKOSA-N 1 3 331.460 1.918 20 0 EDADHO c1cc2c(cc1CN1CCN(CC[C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000583815407 326145380 /nfs/dbraw/zinc/14/53/80/326145380.db2.gz KEFHZDIEQOSEOD-MRXNPFEDSA-N 1 3 331.460 1.575 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCNc1cnccn1 ZINC000361983305 446127797 /nfs/dbraw/zinc/12/77/97/446127797.db2.gz UCRFPTWWLAWYNO-SJLPKXTDSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCNc1cnccn1 ZINC000361983305 446127802 /nfs/dbraw/zinc/12/78/02/446127802.db2.gz UCRFPTWWLAWYNO-SJLPKXTDSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339729 446156949 /nfs/dbraw/zinc/15/69/49/446156949.db2.gz MPGBRILSDBYBPQ-OIISXLGYSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339729 446156954 /nfs/dbraw/zinc/15/69/54/446156954.db2.gz MPGBRILSDBYBPQ-OIISXLGYSA-N 1 3 338.496 1.269 20 0 EDADHO COC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCOCC1 ZINC000365431772 446204363 /nfs/dbraw/zinc/20/43/63/446204363.db2.gz JGTJSCQBXSOKGD-UHFFFAOYSA-N 1 3 339.524 1.672 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581064 446267256 /nfs/dbraw/zinc/26/72/56/446267256.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 1 3 348.535 1.489 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000366581064 446267260 /nfs/dbraw/zinc/26/72/60/446267260.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 1 3 348.535 1.489 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCOC2)CC1 ZINC000362313762 446315793 /nfs/dbraw/zinc/31/57/93/446315793.db2.gz DQZYBGKLUIJMIQ-QGZVFWFLSA-N 1 3 333.476 1.786 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)CN1 ZINC000417503084 446355695 /nfs/dbraw/zinc/35/56/95/446355695.db2.gz LLWXBEZEMLUKCR-LMMKCTJWSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)CN1 ZINC000417503084 446355699 /nfs/dbraw/zinc/35/56/99/446355699.db2.gz LLWXBEZEMLUKCR-LMMKCTJWSA-N 1 3 344.503 1.943 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365887919 446389270 /nfs/dbraw/zinc/38/92/70/446389270.db2.gz RBEZMKPYILCDCN-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000417950104 446396304 /nfs/dbraw/zinc/39/63/04/446396304.db2.gz VPZOXYGAHICADM-BSDSXHPESA-N 1 3 346.475 1.580 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770651 446427906 /nfs/dbraw/zinc/42/79/06/446427906.db2.gz DVNXHRJWRNHYNK-JLSDUUJJSA-N 1 3 331.460 1.765 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000370774605 446431817 /nfs/dbraw/zinc/43/18/17/446431817.db2.gz SHGKIQBQFRIYOT-YSHGAJCASA-N 1 3 345.487 1.562 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000370774605 446431821 /nfs/dbraw/zinc/43/18/21/446431821.db2.gz SHGKIQBQFRIYOT-YSHGAJCASA-N 1 3 345.487 1.562 20 0 EDADHO COCC[NH2+]CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418169619 446443975 /nfs/dbraw/zinc/44/39/75/446443975.db2.gz NALYXWVTXVCLNY-UHFFFAOYSA-N 1 3 340.512 1.568 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000418171130 446445373 /nfs/dbraw/zinc/44/53/73/446445373.db2.gz PRQYRGYHVGFEQY-INIZCTEOSA-N 1 3 346.475 1.650 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168687 446446177 /nfs/dbraw/zinc/44/61/77/446446177.db2.gz HVRWIIRMEJBAQK-CMPLNLGQSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C1CNC1 ZINC000423168687 446446185 /nfs/dbraw/zinc/44/61/85/446446185.db2.gz HVRWIIRMEJBAQK-CMPLNLGQSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cnnn2)cc1 ZINC000423189844 446448688 /nfs/dbraw/zinc/44/86/88/446448688.db2.gz QAGIKQPNSPESBH-HNNXBMFYSA-N 1 3 337.431 1.888 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000418009158 446414660 /nfs/dbraw/zinc/41/46/60/446414660.db2.gz HVQDTHYHMLKBLH-WBVHZDCISA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCNC(C)(C)C1 ZINC000418009158 446414662 /nfs/dbraw/zinc/41/46/62/446414662.db2.gz HVQDTHYHMLKBLH-WBVHZDCISA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418016371 446416499 /nfs/dbraw/zinc/41/64/99/446416499.db2.gz QZINCVLXBNSZQP-XLMAVXFVSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418016371 446416502 /nfs/dbraw/zinc/41/65/02/446416502.db2.gz QZINCVLXBNSZQP-XLMAVXFVSA-N 1 3 330.476 1.899 20 0 EDADHO COCCNCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370764027 446422971 /nfs/dbraw/zinc/42/29/71/446422971.db2.gz UBRGECRHWLCVNM-FQEVSTJZSA-N 1 3 345.487 1.737 20 0 EDADHO COCCNCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370764027 446422975 /nfs/dbraw/zinc/42/29/75/446422975.db2.gz UBRGECRHWLCVNM-FQEVSTJZSA-N 1 3 345.487 1.737 20 0 EDADHO CC[NH2+]CC1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000420290201 446454623 /nfs/dbraw/zinc/45/46/23/446454623.db2.gz LNRWPESVVRSEPE-IBGZPJMESA-N 1 3 346.519 1.727 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418192229 446455151 /nfs/dbraw/zinc/45/51/51/446455151.db2.gz MDJKYQSSUJZHTJ-NXWXRZEISA-N 1 3 342.487 1.900 20 0 EDADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000420298119 446459852 /nfs/dbraw/zinc/45/98/52/446459852.db2.gz GTVTZADUXCSZSQ-ZCNNSNEGSA-N 1 3 328.456 1.973 20 0 EDADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000420298119 446459857 /nfs/dbraw/zinc/45/98/57/446459857.db2.gz GTVTZADUXCSZSQ-ZCNNSNEGSA-N 1 3 328.456 1.973 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309161 446472008 /nfs/dbraw/zinc/47/20/08/446472008.db2.gz OJTODYCAOGZXNM-XWTMOSNGSA-N 1 3 330.476 1.075 20 0 EDADHO CC[C@@H](CNC(=O)COC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000423335024 446493366 /nfs/dbraw/zinc/49/33/66/446493366.db2.gz TVDPPXUZRKAUQY-SFHVURJKSA-N 1 3 345.487 1.708 20 0 EDADHO COc1ccc(C[C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423376125 446509243 /nfs/dbraw/zinc/50/92/43/446509243.db2.gz ANKQVINIHIHULA-OCCSQVGLSA-N 1 3 346.397 1.447 20 0 EDADHO CC(C)[C@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000423378862 446510819 /nfs/dbraw/zinc/51/08/19/446510819.db2.gz LEAGSAMZGPLZBH-YJBOKZPZSA-N 1 3 335.492 1.905 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418486075 446562785 /nfs/dbraw/zinc/56/27/85/446562785.db2.gz INRGSQXVSVLBGP-CRAIPNDOSA-N 1 3 330.476 1.887 20 0 EDADHO Cc1ccc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346090 446519667 /nfs/dbraw/zinc/51/96/67/446519667.db2.gz XJYNSEFNMCLGIN-HZPDHXFCSA-N 1 3 326.444 1.824 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433163029 446540780 /nfs/dbraw/zinc/54/07/80/446540780.db2.gz WTHSPEPPSJVAFC-GOSISDBHSA-N 1 3 332.492 1.433 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000418442991 446545299 /nfs/dbraw/zinc/54/52/99/446545299.db2.gz KQNPTIGCTZJPNP-HNNXBMFYSA-N 1 3 327.517 1.219 20 0 EDADHO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000434467606 446646467 /nfs/dbraw/zinc/64/64/67/446646467.db2.gz OUYPHVQWGPWHPW-CABCVRRESA-N 1 3 336.505 1.826 20 0 EDADHO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000434467606 446646472 /nfs/dbraw/zinc/64/64/72/446646472.db2.gz OUYPHVQWGPWHPW-CABCVRRESA-N 1 3 336.505 1.826 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)CC[C@@H]21 ZINC000418634693 446625192 /nfs/dbraw/zinc/62/51/92/446625192.db2.gz JOKMNMKWYUGQNH-QRQLOZEOSA-N 1 3 342.487 1.999 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)CC[C@@H]21 ZINC000418634693 446625198 /nfs/dbraw/zinc/62/51/98/446625198.db2.gz JOKMNMKWYUGQNH-QRQLOZEOSA-N 1 3 342.487 1.999 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418648339 446631921 /nfs/dbraw/zinc/63/19/21/446631921.db2.gz ZHIFXRIPEAEEBK-KSZLIROESA-N 1 3 328.460 1.561 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418647376 446632045 /nfs/dbraw/zinc/63/20/45/446632045.db2.gz XWWVVOSTMLVODC-GOSISDBHSA-N 1 3 346.475 1.413 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000371231374 446705122 /nfs/dbraw/zinc/70/51/22/446705122.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000371231374 446705126 /nfs/dbraw/zinc/70/51/26/446705126.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cc(N(C)C[C@H]2CCC[N@@H+]2C)ncn1 ZINC000420639073 446714941 /nfs/dbraw/zinc/71/49/41/446714941.db2.gz RFMIBXFRKQOKQB-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cc(N(C)C[C@H]2CCC[N@H+]2C)ncn1 ZINC000420639073 446714947 /nfs/dbraw/zinc/71/49/47/446714947.db2.gz RFMIBXFRKQOKQB-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO C[N@H+]1C[C@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729184 /nfs/dbraw/zinc/72/91/84/446729184.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 1 3 329.488 1.771 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C[C@@H]3CN(Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729192 /nfs/dbraw/zinc/72/91/92/446729192.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 1 3 329.488 1.771 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000423875772 446737435 /nfs/dbraw/zinc/73/74/35/446737435.db2.gz CBWOSLUPUQWWHH-SFHVURJKSA-N 1 3 331.460 1.948 20 0 EDADHO C[C@H]1CN(CCC(=O)NC2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371305638 446762019 /nfs/dbraw/zinc/76/20/19/446762019.db2.gz ZOJPOFYNRKOYQG-WMZOPIPTSA-N 1 3 336.524 1.393 20 0 EDADHO CN(CC(=O)NC1CCC([NH+]2CCNCC2)CC1)Cc1ccccc1 ZINC000423954329 446796087 /nfs/dbraw/zinc/79/60/87/446796087.db2.gz RWLDBEDPRNMBBL-UHFFFAOYSA-N 1 3 344.503 1.451 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N2CCCN(CC(C)(C)O)CC2)CC1 ZINC000376967340 446827465 /nfs/dbraw/zinc/82/74/65/446827465.db2.gz KXEKRTKPPIIZBA-UHFFFAOYSA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419023842 446870687 /nfs/dbraw/zinc/87/06/87/446870687.db2.gz JZLBYDRSVFNPPF-CABCVRRESA-N 1 3 340.512 1.247 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424453242 446874207 /nfs/dbraw/zinc/87/42/07/446874207.db2.gz JYEXXNAUGMUTLR-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(CN)c2)C1 ZINC000424453242 446874211 /nfs/dbraw/zinc/87/42/11/446874211.db2.gz JYEXXNAUGMUTLR-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO CN1CC[C@H]2CN(C(=O)Nc3cccc(OCC[NH+](C)C)c3)C[C@H]21 ZINC000454475755 446884269 /nfs/dbraw/zinc/88/42/69/446884269.db2.gz FEXJGBHWTODMRN-WMLDXEAASA-N 1 3 332.448 1.795 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000377124498 446935836 /nfs/dbraw/zinc/93/58/36/446935836.db2.gz FQGNGUOULCFZTG-RDJZCZTQSA-N 1 3 333.480 1.616 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000419121668 446936304 /nfs/dbraw/zinc/93/63/04/446936304.db2.gz SEVZVSOXDHKYPI-QGZVFWFLSA-N 1 3 346.475 1.039 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019710 446990219 /nfs/dbraw/zinc/99/02/19/446990219.db2.gz QDRBLHXPFBDJJM-PKOBYXMFSA-N 1 3 347.503 1.890 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H](N)c1ccccc1 ZINC000372099442 447000384 /nfs/dbraw/zinc/00/03/84/447000384.db2.gz UVYDISXFPHYMQE-WDSOQIARSA-N 1 3 344.503 1.561 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@H](N)c1ccccc1 ZINC000372099442 447000389 /nfs/dbraw/zinc/00/03/89/447000389.db2.gz UVYDISXFPHYMQE-WDSOQIARSA-N 1 3 344.503 1.561 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@H]2[C@H]1c1ccccc1 ZINC000377318396 447061819 /nfs/dbraw/zinc/06/18/19/447061819.db2.gz UWBITSIXQTTWTI-YWTNHNAXSA-N 1 3 345.512 1.843 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@H]2[C@H]1c1ccccc1 ZINC000377318396 447061822 /nfs/dbraw/zinc/06/18/22/447061822.db2.gz UWBITSIXQTTWTI-YWTNHNAXSA-N 1 3 345.512 1.843 20 0 EDADHO CCOC(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000444131140 447078190 /nfs/dbraw/zinc/07/81/90/447078190.db2.gz XAGAYYFHYSMSJY-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CCOC(C)(C)CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000444131140 447078199 /nfs/dbraw/zinc/07/81/99/447078199.db2.gz XAGAYYFHYSMSJY-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000444187713 447091843 /nfs/dbraw/zinc/09/18/43/447091843.db2.gz SNLGJCFGIITIDH-HBFSDRIKSA-N 1 3 327.472 1.939 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCCN1CCCO ZINC000455236205 447094059 /nfs/dbraw/zinc/09/40/59/447094059.db2.gz XYTMVIUVKBNNHQ-KRWDZBQOSA-N 1 3 348.491 1.759 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455662740 447200872 /nfs/dbraw/zinc/20/08/72/447200872.db2.gz VQLOSLCQBLBATF-OAHLLOKOSA-N 1 3 336.484 1.640 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccnn2CCN(C)C)C1 ZINC000455662740 447200878 /nfs/dbraw/zinc/20/08/78/447200878.db2.gz VQLOSLCQBLBATF-OAHLLOKOSA-N 1 3 336.484 1.640 20 0 EDADHO CCN1CCC[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639340 447201537 /nfs/dbraw/zinc/20/15/37/447201537.db2.gz JQDHGVBIXCLSDA-QGZVFWFLSA-N 1 3 333.480 1.583 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000455668665 447204553 /nfs/dbraw/zinc/20/45/53/447204553.db2.gz LXAAAQZKKPGETK-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@H+]1CCCC[C@@H]1C ZINC000455668665 447204559 /nfs/dbraw/zinc/20/45/59/447204559.db2.gz LXAAAQZKKPGETK-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000379681206 447453906 /nfs/dbraw/zinc/45/39/06/447453906.db2.gz PQQHWMHOZZIOFH-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000379681206 447453910 /nfs/dbraw/zinc/45/39/10/447453910.db2.gz PQQHWMHOZZIOFH-WBVHZDCISA-N 1 3 331.460 1.534 20 0 EDADHO COCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006664 447489425 /nfs/dbraw/zinc/48/94/25/447489425.db2.gz XAAXCNXMXKQFPV-WMZOPIPTSA-N 1 3 345.487 1.639 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OCC)C2)[C@@H](C)C1 ZINC000495382546 447500183 /nfs/dbraw/zinc/50/01/83/447500183.db2.gz QIJQEKYIAVMNNI-ULQDDVLXSA-N 1 3 341.496 1.944 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OCC)C2)[C@@H](C)C1 ZINC000495382546 447500189 /nfs/dbraw/zinc/50/01/89/447500189.db2.gz QIJQEKYIAVMNNI-ULQDDVLXSA-N 1 3 341.496 1.944 20 0 EDADHO CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390853972 447503232 /nfs/dbraw/zinc/50/32/32/447503232.db2.gz JKUSMNBLVQPHNF-ZWKOTPCHSA-N 1 3 333.476 1.767 20 0 EDADHO C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911487 447506429 /nfs/dbraw/zinc/50/64/29/447506429.db2.gz XGUKNAFIZPDKCA-MJGOQNOKSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390991641 447508669 /nfs/dbraw/zinc/50/86/69/447508669.db2.gz MTEHPEKXQJHODO-IPQPSQTFSA-N 1 3 343.471 1.677 20 0 EDADHO O=C(C[C@H]1CNCCO1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390991641 447508671 /nfs/dbraw/zinc/50/86/71/447508671.db2.gz MTEHPEKXQJHODO-IPQPSQTFSA-N 1 3 343.471 1.677 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])ccc1CN(C)C ZINC000415480723 447471324 /nfs/dbraw/zinc/47/13/24/447471324.db2.gz IDZVOFIGTRWEIU-UHFFFAOYSA-N 1 3 334.464 1.438 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458759164 447472351 /nfs/dbraw/zinc/47/23/51/447472351.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458759164 447472357 /nfs/dbraw/zinc/47/23/57/447472357.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420006648 447541385 /nfs/dbraw/zinc/54/13/85/447541385.db2.gz ZLGVAWIPPSEGNM-KRWDZBQOSA-N 1 3 348.491 1.196 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000416828463 447693768 /nfs/dbraw/zinc/69/37/68/447693768.db2.gz SGJQRRGWVRARFK-CPUCHLNUSA-N 1 3 334.464 1.867 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904332 447703548 /nfs/dbraw/zinc/70/35/48/447703548.db2.gz DMEVTEJROMNWNF-NVXWUHKLSA-N 1 3 334.464 1.821 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048768 447708566 /nfs/dbraw/zinc/70/85/66/447708566.db2.gz OSISOZAZXKIDGT-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000416816787 447691049 /nfs/dbraw/zinc/69/10/49/447691049.db2.gz HJJGBKGXKJBFEW-QZTJIDSGSA-N 1 3 346.475 1.869 20 0 EDADHO C[C@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422710282 447723270 /nfs/dbraw/zinc/72/32/70/447723270.db2.gz FOWYWFSJBVUZMP-FUHWJXTLSA-N 1 3 336.524 1.299 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422713855 447725400 /nfs/dbraw/zinc/72/54/00/447725400.db2.gz KJGJSCFWHYFIQH-GUDVDZBRSA-N 1 3 343.519 1.844 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786616 447750233 /nfs/dbraw/zinc/75/02/33/447750233.db2.gz KWCIKHXHOWQXSN-VXGBXAGGSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C1CNC1 ZINC000422786616 447750240 /nfs/dbraw/zinc/75/02/40/447750240.db2.gz KWCIKHXHOWQXSN-VXGBXAGGSA-N 1 3 332.366 1.934 20 0 EDADHO CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000422824687 447760116 /nfs/dbraw/zinc/76/01/16/447760116.db2.gz HVZURPCKWBTDLX-ZWKOTPCHSA-N 1 3 346.523 1.499 20 0 EDADHO CC[C@H](NCCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824687 447760120 /nfs/dbraw/zinc/76/01/20/447760120.db2.gz HVZURPCKWBTDLX-ZWKOTPCHSA-N 1 3 346.523 1.499 20 0 EDADHO CCCNC(=O)CN1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422843022 447766498 /nfs/dbraw/zinc/76/64/98/447766498.db2.gz GSGTURPAYNVLAV-QFBILLFUSA-N 1 3 346.519 1.525 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422843022 447766504 /nfs/dbraw/zinc/76/65/04/447766504.db2.gz GSGTURPAYNVLAV-QFBILLFUSA-N 1 3 346.519 1.525 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458335351 447771617 /nfs/dbraw/zinc/77/16/17/447771617.db2.gz DKQUGDNNVYQWFC-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458335351 447771621 /nfs/dbraw/zinc/77/16/21/447771621.db2.gz DKQUGDNNVYQWFC-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO CC[C@@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCCN1 ZINC000422956223 447780205 /nfs/dbraw/zinc/78/02/05/447780205.db2.gz OTEGLHVVPKDKGI-MSOLQXFVSA-N 1 3 336.524 1.441 20 0 EDADHO O=C(NCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960673 447781535 /nfs/dbraw/zinc/78/15/35/447781535.db2.gz XFKYALFEDQIHRN-OKZBNKHCSA-N 1 3 349.450 1.692 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579236 447781723 /nfs/dbraw/zinc/78/17/23/447781723.db2.gz BVWHNDFYNPERGC-SNVBAGLBSA-N 1 3 326.363 1.070 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000423085145 447802411 /nfs/dbraw/zinc/80/24/11/447802411.db2.gz JSLCLJWARDEGBB-FGTMMUONSA-N 1 3 331.460 1.392 20 0 EDADHO Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000423099078 447804493 /nfs/dbraw/zinc/80/44/93/447804493.db2.gz AGDJNHODPVHYKP-JSGCOSHPSA-N 1 3 345.896 1.644 20 0 EDADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](N1CCOCC1)C(F)(F)F ZINC000423114405 447808800 /nfs/dbraw/zinc/80/88/00/447808800.db2.gz VOSXKMUJBLBEOC-ABAIWWIYSA-N 1 3 346.397 1.762 20 0 EDADHO CN(C[C@H](O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836440 /nfs/dbraw/zinc/83/64/40/447836440.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 1 3 327.469 1.242 20 0 EDADHO CN(C[C@H](O)C[N@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496627386 447836442 /nfs/dbraw/zinc/83/64/42/447836442.db2.gz ZDMDIMRPAHKZSI-YOEHRIQHSA-N 1 3 327.469 1.242 20 0 EDADHO CN1C[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894942 /nfs/dbraw/zinc/89/49/42/447894942.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 1 3 329.444 1.891 20 0 EDADHO CN1C[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894949 /nfs/dbraw/zinc/89/49/49/447894949.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 1 3 329.444 1.891 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000569843154 447905102 /nfs/dbraw/zinc/90/51/02/447905102.db2.gz MOMPFBTXWZZAPM-FUHWJXTLSA-N 1 3 330.476 1.800 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3COCC3(C)C)CC2)CC1 ZINC000576201353 447995433 /nfs/dbraw/zinc/99/54/33/447995433.db2.gz BYXZASOLMNFJEM-INIZCTEOSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](Oc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357595 448069523 /nfs/dbraw/zinc/06/95/23/448069523.db2.gz GWPKLZHMEIISEA-AWEZNQCLSA-N 1 3 325.428 1.545 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000526088569 448097066 /nfs/dbraw/zinc/09/70/66/448097066.db2.gz GLYNDDKFYYJCKA-OAHLLOKOSA-N 1 3 346.475 1.187 20 0 EDADHO CN1CCN(CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000570798151 448066548 /nfs/dbraw/zinc/06/65/48/448066548.db2.gz UAXMKIOLHDKZBB-OQSMONGASA-N 1 3 336.524 1.284 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000571438718 448155053 /nfs/dbraw/zinc/15/50/53/448155053.db2.gz DZWKKEFICSWUSD-IRXDYDNUSA-N 1 3 337.439 1.077 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882836 448143220 /nfs/dbraw/zinc/14/32/20/448143220.db2.gz KOQFVRMUHRKREN-LKGOPFMKSA-N 1 3 337.508 1.844 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882836 448143225 /nfs/dbraw/zinc/14/32/25/448143225.db2.gz KOQFVRMUHRKREN-LKGOPFMKSA-N 1 3 337.508 1.844 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673170 448183959 /nfs/dbraw/zinc/18/39/59/448183959.db2.gz XOLCUNHISBPTGL-UONOGXRCSA-N 1 3 339.480 1.297 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](OC)C3)CC2)CC1 ZINC000572176509 448308229 /nfs/dbraw/zinc/30/82/29/448308229.db2.gz CEFDRTIOEHFZMP-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000515292265 448286445 /nfs/dbraw/zinc/28/64/45/448286445.db2.gz ZAOCIEIBFAYDPJ-UHFFFAOYSA-N 1 3 333.476 1.775 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000515292265 448286447 /nfs/dbraw/zinc/28/64/47/448286447.db2.gz ZAOCIEIBFAYDPJ-UHFFFAOYSA-N 1 3 333.476 1.775 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000493014581 448348510 /nfs/dbraw/zinc/34/85/10/448348510.db2.gz IDYIYESABQYKTG-TWVNLXSWSA-N 1 3 331.460 1.512 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000515867923 448361515 /nfs/dbraw/zinc/36/15/15/448361515.db2.gz ULEARPPMRLTYAH-OAHLLOKOSA-N 1 3 325.522 1.854 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3CNCc4ccccc43)CC2)C1 ZINC000566209480 448416149 /nfs/dbraw/zinc/41/61/49/448416149.db2.gz WZXVDZRZWALBAG-QRQLOZEOSA-N 1 3 343.471 1.618 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000578130673 448468078 /nfs/dbraw/zinc/46/80/78/448468078.db2.gz WTKDNIZLIMEDKO-CABCVRRESA-N 1 3 348.491 1.568 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000578326739 448518296 /nfs/dbraw/zinc/51/82/96/448518296.db2.gz DBSCYKXSNZPCFY-HNNXBMFYSA-N 1 3 346.475 1.839 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000572943334 448500255 /nfs/dbraw/zinc/50/02/55/448500255.db2.gz DHVYYMFAYAQKTQ-AEFFLSMTSA-N 1 3 346.475 1.520 20 0 EDADHO CC1CCC([NH+]2CCN(C[C@H]3CCCN(C(=O)CN)C3)CC2)CC1 ZINC000578500429 448561975 /nfs/dbraw/zinc/56/19/75/448561975.db2.gz HQLOSXXEZGHJCP-LXPRWKDFSA-N 1 3 336.524 1.380 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Cc1ccccc1 ZINC000584728056 448612440 /nfs/dbraw/zinc/61/24/40/448612440.db2.gz AYOUBCWBSUURDV-QGZVFWFLSA-N 1 3 343.475 1.347 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCCC(=O)NC(N)=O ZINC000567103930 448613908 /nfs/dbraw/zinc/61/39/08/448613908.db2.gz YVDOTKWMCRHAJC-CQSZACIVSA-N 1 3 332.448 1.736 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCCC(=O)NC(N)=O ZINC000567103930 448613914 /nfs/dbraw/zinc/61/39/14/448613914.db2.gz YVDOTKWMCRHAJC-CQSZACIVSA-N 1 3 332.448 1.736 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647791 448603207 /nfs/dbraw/zinc/60/32/07/448603207.db2.gz HTHAQDBSMNQQIW-MJGOQNOKSA-N 1 3 346.519 1.856 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123243 448647473 /nfs/dbraw/zinc/64/74/73/448647473.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 1 3 330.476 1.752 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123243 448647476 /nfs/dbraw/zinc/64/74/76/448647476.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 1 3 330.476 1.752 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593973 448666728 /nfs/dbraw/zinc/66/67/28/448666728.db2.gz ADJSTRASFSJDSY-AOIWGVFYSA-N 1 3 329.444 1.146 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H]([NH2+]CC2(CN[C@H]3[C@@H](C)O[C@@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000528770020 448667879 /nfs/dbraw/zinc/66/78/79/448667879.db2.gz YMBQZSQZOWUOFC-ICDRHKIBSA-N 1 3 340.508 1.806 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](NCC2(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000528770020 448667886 /nfs/dbraw/zinc/66/78/86/448667886.db2.gz YMBQZSQZOWUOFC-ICDRHKIBSA-N 1 3 340.508 1.806 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000567754485 448752732 /nfs/dbraw/zinc/75/27/32/448752732.db2.gz YQWRCGYGPYEVEF-BHIYHBOVSA-N 1 3 344.503 1.943 20 0 EDADHO COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000519816267 448849630 /nfs/dbraw/zinc/84/96/30/448849630.db2.gz CPVLRWCMSBHPEI-SJLPKXTDSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816267 448849634 /nfs/dbraw/zinc/84/96/34/448849634.db2.gz CPVLRWCMSBHPEI-SJLPKXTDSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816267 448849637 /nfs/dbraw/zinc/84/96/37/448849637.db2.gz CPVLRWCMSBHPEI-SJLPKXTDSA-N 1 3 334.460 1.647 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558578 448900493 /nfs/dbraw/zinc/90/04/93/448900493.db2.gz BYODQBCVPQUGBA-GOEBONIOSA-N 1 3 339.480 1.251 20 0 EDADHO CNC(=O)c1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000568728268 448909081 /nfs/dbraw/zinc/90/90/81/448909081.db2.gz JZEQUUNXMNGXER-MSOLQXFVSA-N 1 3 331.460 1.765 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)n1 ZINC000529713966 448933190 /nfs/dbraw/zinc/93/31/90/448933190.db2.gz BPRMKDZRSNBGRS-MRXNPFEDSA-N 1 3 333.480 1.582 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000574516725 448891118 /nfs/dbraw/zinc/89/11/18/448891118.db2.gz SEGFAXDWKYQNCN-GOSISDBHSA-N 1 3 342.487 1.896 20 0 EDADHO COCCN(C)C[C@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849511 448895941 /nfs/dbraw/zinc/89/59/41/448895941.db2.gz ZMELOQRTDLNKHO-ABHNRTSZSA-N 1 3 327.513 1.122 20 0 EDADHO CCN1CCC[C@@H](C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000589647284 449045191 /nfs/dbraw/zinc/04/51/91/449045191.db2.gz SHEIAAFWKAJIDR-HNNXBMFYSA-N 1 3 325.478 1.880 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000575235256 449066036 /nfs/dbraw/zinc/06/60/36/449066036.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 1 3 347.507 1.311 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)C[C@H]1CN ZINC000575235256 449066042 /nfs/dbraw/zinc/06/60/42/449066042.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 1 3 347.507 1.311 20 0 EDADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000597941835 449151777 /nfs/dbraw/zinc/15/17/77/449151777.db2.gz DMAWGNJKAFRNKT-AWEZNQCLSA-N 1 3 335.448 1.475 20 0 EDADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000597941835 449151781 /nfs/dbraw/zinc/15/17/81/449151781.db2.gz DMAWGNJKAFRNKT-AWEZNQCLSA-N 1 3 335.448 1.475 20 0 EDADHO CS[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1N1CCCC1 ZINC000602136791 449375010 /nfs/dbraw/zinc/37/50/10/449375010.db2.gz UKHKQMFFWKAOCW-CVEARBPZSA-N 1 3 337.533 1.901 20 0 EDADHO CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CCN(CC)C1 ZINC000596604883 449570889 /nfs/dbraw/zinc/57/08/89/449570889.db2.gz MCUHIIALLANJHZ-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000594616662 449594947 /nfs/dbraw/zinc/59/49/47/449594947.db2.gz WBPTZLIYDMSZJP-CQSZACIVSA-N 1 3 337.464 1.738 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000617504285 449649636 /nfs/dbraw/zinc/64/96/36/449649636.db2.gz OARJPKYTGFEEDL-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(-c2ccccc2)c1 ZINC000617504285 449649643 /nfs/dbraw/zinc/64/96/43/449649643.db2.gz OARJPKYTGFEEDL-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617504940 449650330 /nfs/dbraw/zinc/65/03/30/449650330.db2.gz QCZQNSMUBCPWRM-DOTOQJQBSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)N1CCCC1=O ZINC000617504940 449650333 /nfs/dbraw/zinc/65/03/33/449650333.db2.gz QCZQNSMUBCPWRM-DOTOQJQBSA-N 1 3 340.512 1.022 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(F)c1 ZINC000617503570 449646427 /nfs/dbraw/zinc/64/64/27/449646427.db2.gz OYBQIRSDKVHOHA-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(F)c1 ZINC000617503570 449646432 /nfs/dbraw/zinc/64/64/32/449646432.db2.gz OYBQIRSDKVHOHA-ZDUSSCGKSA-N 1 3 325.428 1.836 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901519 449933474 /nfs/dbraw/zinc/93/34/74/449933474.db2.gz GCVXXYJEAPVOTO-MJGOQNOKSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000608692372 449910655 /nfs/dbraw/zinc/91/06/55/449910655.db2.gz JHLMKIHVTNVOOX-IRXDYDNUSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000608692372 449910658 /nfs/dbraw/zinc/91/06/58/449910658.db2.gz JHLMKIHVTNVOOX-IRXDYDNUSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000623061807 450386585 /nfs/dbraw/zinc/38/65/85/450386585.db2.gz FRUPRTBYQFPGRL-KRWDZBQOSA-N 1 3 331.464 1.260 20 0 EDADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)[C@H]1C ZINC000620747315 450538128 /nfs/dbraw/zinc/53/81/28/450538128.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)[C@H]1C ZINC000620747315 450538131 /nfs/dbraw/zinc/53/81/31/450538131.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)[C@@H]1C ZINC000620747315 450538133 /nfs/dbraw/zinc/53/81/33/450538133.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)[C@@H]1C ZINC000620747315 450538135 /nfs/dbraw/zinc/53/81/35/450538135.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2COCCN2C)CC1 ZINC000623711631 450569660 /nfs/dbraw/zinc/56/96/60/450569660.db2.gz KKCXFNNADLMCSO-LJQANCHMSA-N 1 3 346.519 1.639 20 0 EDADHO CCC[NH+]1CCC(N[C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114176 450709695 /nfs/dbraw/zinc/70/96/95/450709695.db2.gz VNHJTRHKAKDAEG-HNNXBMFYSA-N 1 3 329.452 1.167 20 0 EDADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624113886 450710091 /nfs/dbraw/zinc/71/00/91/450710091.db2.gz OYAIOJVMZOJZBF-OAHLLOKOSA-N 1 3 329.452 1.165 20 0 EDADHO c1nnc2ccc(N3CC[C@H](N[C@@H]4CCC[C@H]4[C@H]4CCC[NH2+]4)C3)nn12 ZINC000629523954 450725270 /nfs/dbraw/zinc/72/52/70/450725270.db2.gz OPDHXBRDXHBSON-CAOSSQGBSA-N 1 3 341.463 1.213 20 0 EDADHO CCO[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000629553713 450733787 /nfs/dbraw/zinc/73/37/87/450733787.db2.gz XCCKYYSEQDKBHQ-FUHWJXTLSA-N 1 3 347.507 1.814 20 0 EDADHO CCO[C@H](C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CC1 ZINC000629553713 450733791 /nfs/dbraw/zinc/73/37/91/450733791.db2.gz XCCKYYSEQDKBHQ-FUHWJXTLSA-N 1 3 347.507 1.814 20 0 EDADHO COc1ccccc1N1CC[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629559415 450735665 /nfs/dbraw/zinc/73/56/65/450735665.db2.gz QTQCKBHUXZTKTI-DLBZAZTESA-N 1 3 333.476 1.568 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@@H](O)CN3CCCC3)C2)c1 ZINC000629565924 450739066 /nfs/dbraw/zinc/73/90/66/450739066.db2.gz QSNQKNKSLCFISP-DOTOQJQBSA-N 1 3 349.475 1.329 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000629567629 450740298 /nfs/dbraw/zinc/74/02/98/450740298.db2.gz YXZKONXLUYTVDH-UYAOXDASSA-N 1 3 346.519 1.243 20 0 EDADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccc(Br)cc1 ZINC000629579629 450747679 /nfs/dbraw/zinc/74/76/79/450747679.db2.gz VNCJIVCEOXDXTJ-UHFFFAOYSA-N 1 3 344.253 1.685 20 0 EDADHO c1c([C@H]2CCCN(CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649791 450770358 /nfs/dbraw/zinc/77/03/58/450770358.db2.gz GMHWPSMAWBXHMP-INIZCTEOSA-N 1 3 331.464 1.345 20 0 EDADHO COC1(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647828 450770892 /nfs/dbraw/zinc/77/08/92/450770892.db2.gz BIIIWTDEHGVGMP-JKSUJKDBSA-N 1 3 336.480 1.166 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000621690400 450834982 /nfs/dbraw/zinc/83/49/82/450834982.db2.gz UDWZHARUIQUTHT-YLJYHZDGSA-N 1 3 342.487 1.782 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2)CC1 ZINC000635312639 450835546 /nfs/dbraw/zinc/83/55/46/450835546.db2.gz LGSTUSQGAKVHOZ-UHFFFAOYSA-N 1 3 344.503 1.392 20 0 EDADHO CC(C)c1nccn1CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000635410483 450917233 /nfs/dbraw/zinc/91/72/33/450917233.db2.gz IWSKIFRPFVNTGK-UHFFFAOYSA-N 1 3 342.447 1.792 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000626922236 451006113 /nfs/dbraw/zinc/00/61/13/451006113.db2.gz ROFLXBKGVSUIRV-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO [NH3+]CCCOCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000626934788 451017612 /nfs/dbraw/zinc/01/76/12/451017612.db2.gz NQQTZJXURBOEFD-KRWDZBQOSA-N 1 3 334.464 1.488 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122426 451052858 /nfs/dbraw/zinc/05/28/58/451052858.db2.gz UVLSDJATICFNFT-JKSUJKDBSA-N 1 3 329.510 1.218 20 0 EDADHO C[C@@H](CNC(=O)CN(C)CCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000635561197 451059114 /nfs/dbraw/zinc/05/91/14/451059114.db2.gz PLCWQSPAONHPPZ-SFHVURJKSA-N 1 3 346.519 1.161 20 0 EDADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCOCCC[NH3+])N(C)C ZINC000627033343 451091383 /nfs/dbraw/zinc/09/13/83/451091383.db2.gz HKJXIHKYIYERHA-DOTOQJQBSA-N 1 3 336.480 1.651 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627115431 451131427 /nfs/dbraw/zinc/13/14/27/451131427.db2.gz ASFXGKOEHHVMLO-RWMBFGLXSA-N 1 3 336.402 1.639 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000627171832 451164094 /nfs/dbraw/zinc/16/40/94/451164094.db2.gz JOVSYQPYMCWWGN-UHFFFAOYSA-N 1 3 342.528 1.764 20 0 EDADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750433 451218394 /nfs/dbraw/zinc/21/83/94/451218394.db2.gz RYAYZWYOPJUXNO-IRXDYDNUSA-N 1 3 338.540 1.449 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N1CCCC12CCN(C)CC2 ZINC000635757158 451221941 /nfs/dbraw/zinc/22/19/41/451221941.db2.gz POJSXGNRASXEFC-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N1CCCC12CCN(C)CC2 ZINC000635757158 451221946 /nfs/dbraw/zinc/22/19/46/451221946.db2.gz POJSXGNRASXEFC-UHFFFAOYSA-N 1 3 341.496 1.058 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103074 451270942 /nfs/dbraw/zinc/27/09/42/451270942.db2.gz YZCIZHDIGLDKBW-RTBURBONSA-N 1 3 344.503 1.533 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635827533 451276405 /nfs/dbraw/zinc/27/64/05/451276405.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 1 3 330.476 1.704 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635827533 451276407 /nfs/dbraw/zinc/27/64/07/451276407.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 1 3 330.476 1.704 20 0 EDADHO CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109937 451276536 /nfs/dbraw/zinc/27/65/36/451276536.db2.gz XWJWFNBBSPEVJD-AEFFLSMTSA-N 1 3 335.448 1.723 20 0 EDADHO C[NH+](C)CCCC1CCN(Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638122518 451292656 /nfs/dbraw/zinc/29/26/56/451292656.db2.gz QLHMHKFSLWYAQA-UHFFFAOYSA-N 1 3 339.505 1.888 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000635853521 451301192 /nfs/dbraw/zinc/30/11/92/451301192.db2.gz IFOHBIGWAJMMDS-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302330 /nfs/dbraw/zinc/30/23/30/451302330.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302335 /nfs/dbraw/zinc/30/23/35/451302335.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCCO4)CC2)CC1 ZINC000628791886 451418773 /nfs/dbraw/zinc/41/87/73/451418773.db2.gz RFADZERRAWMNCG-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(N3CCOCC3)nc2)CC1 ZINC000638346494 451449256 /nfs/dbraw/zinc/44/92/56/451449256.db2.gz XOJMPVKAACNJQH-UHFFFAOYSA-N 1 3 348.491 1.243 20 0 EDADHO CC1CC[NH+](CCCCNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638370931 451468444 /nfs/dbraw/zinc/46/84/44/451468444.db2.gz NVLXAKAQTGGBOZ-UHFFFAOYSA-N 1 3 345.534 1.997 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000638373884 451470821 /nfs/dbraw/zinc/47/08/21/451470821.db2.gz VJEVZKAKAZKIAL-OALUTQOASA-N 1 3 339.439 1.650 20 0 EDADHO OCCN1CCCC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721009 451501775 /nfs/dbraw/zinc/50/17/75/451501775.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 1 3 347.503 1.060 20 0 EDADHO OCCN1CCCC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721009 451501780 /nfs/dbraw/zinc/50/17/80/451501780.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 1 3 347.503 1.060 20 0 EDADHO CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638434989 451513494 /nfs/dbraw/zinc/51/34/94/451513494.db2.gz QKASSHXBDDYNCM-UHFFFAOYSA-N 1 3 347.503 1.860 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CC[C@H]1C(F)(F)F ZINC000638555392 451574763 /nfs/dbraw/zinc/57/47/63/451574763.db2.gz IBGZDGJGOZUIMG-OPRDCNLKSA-N 1 3 329.313 1.217 20 0 EDADHO NC[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559334 451576644 /nfs/dbraw/zinc/57/66/44/451576644.db2.gz PWPCYIGPQQINOE-UBHSHLNASA-N 1 3 347.356 1.854 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](Nc3ccnc(-c4nccs4)n3)C2)CC1 ZINC000631118445 451593851 /nfs/dbraw/zinc/59/38/51/451593851.db2.gz ZJWOTKNGUJZWPP-ZDUSSCGKSA-N 1 3 344.488 1.602 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccncc3OC)CC2)CC[N@@H+]1C ZINC000632819319 451597587 /nfs/dbraw/zinc/59/75/87/451597587.db2.gz WVARCZWXTGUSGQ-LSDHHAIUSA-N 1 3 332.448 1.469 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCN(c3ccncc3OC)CC2)CC[N@H+]1C ZINC000632819319 451597593 /nfs/dbraw/zinc/59/75/93/451597593.db2.gz WVARCZWXTGUSGQ-LSDHHAIUSA-N 1 3 332.448 1.469 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCOC1 ZINC000638718605 451665030 /nfs/dbraw/zinc/66/50/30/451665030.db2.gz JDLRFJZJAXLQLE-QUCCMNQESA-N 1 3 348.487 1.784 20 0 EDADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010044 451648540 /nfs/dbraw/zinc/64/85/40/451648540.db2.gz PUBNUWSUSWZVFY-LSDHHAIUSA-N 1 3 338.477 1.259 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000632950282 451665897 /nfs/dbraw/zinc/66/58/97/451665897.db2.gz XQNQRBHWIQCYJO-INIZCTEOSA-N 1 3 344.463 1.526 20 0 EDADHO CC[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N(CC)CC ZINC000638783475 451689838 /nfs/dbraw/zinc/68/98/38/451689838.db2.gz MCKRYAGCTLMRHG-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H](C[NH3+])C3CCCC3)cn2)CC1 ZINC000632960074 451669526 /nfs/dbraw/zinc/66/95/26/451669526.db2.gz BITRDXRFUKWMHI-MRXNPFEDSA-N 1 3 334.468 1.789 20 0 EDADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCN1CC[C@H](O)C1)[NH+](C)C ZINC000637138557 451738647 /nfs/dbraw/zinc/73/86/47/451738647.db2.gz QLGAKEUYQLRYTD-XYJFISCASA-N 1 3 348.491 1.352 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCN1CC[C@@H](O)C1)[NH+](C)C ZINC000637138554 451738988 /nfs/dbraw/zinc/73/89/88/451738988.db2.gz QLGAKEUYQLRYTD-NUJGCVRESA-N 1 3 348.491 1.352 20 0 EDADHO C[C@@H](CC(=O)Nc1cc(N2CCNCC2)ccn1)C1CC[NH2+]CC1 ZINC000638986898 451746998 /nfs/dbraw/zinc/74/69/98/451746998.db2.gz GXSIMYRKAZHGGU-AWEZNQCLSA-N 1 3 331.464 1.456 20 0 EDADHO CCNCc1ccn(Cc2cn(C[C@H]3CCCC[N@@H+]3C(C)C)nn2)n1 ZINC000641167797 451767912 /nfs/dbraw/zinc/76/79/12/451767912.db2.gz ZAZMICCEXWATEL-GOSISDBHSA-N 1 3 345.495 1.895 20 0 EDADHO CCNCc1ccn(Cc2cn(C[C@H]3CCCC[N@H+]3C(C)C)nn2)n1 ZINC000641167797 451767913 /nfs/dbraw/zinc/76/79/13/451767913.db2.gz ZAZMICCEXWATEL-GOSISDBHSA-N 1 3 345.495 1.895 20 0 EDADHO COc1c[nH+]ccc1N1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC000639127120 451772937 /nfs/dbraw/zinc/77/29/37/451772937.db2.gz OBHHJJKCPCVUAU-UHFFFAOYSA-N 1 3 334.464 1.323 20 0 EDADHO CO[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000639266933 451801789 /nfs/dbraw/zinc/80/17/89/451801789.db2.gz UOBGZWYWNZDTQI-RBUKOAKNSA-N 1 3 348.487 1.655 20 0 EDADHO Cn1cc(CCC[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)cn1 ZINC000639307733 451817839 /nfs/dbraw/zinc/81/78/39/451817839.db2.gz GIHRVXNCXBVUHX-LJQANCHMSA-N 1 3 328.460 1.709 20 0 EDADHO CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000644531401 451845656 /nfs/dbraw/zinc/84/56/56/451845656.db2.gz TVNCCEKYZIFVLB-SFHVURJKSA-N 1 3 336.476 1.894 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)C1C[NH+](C3CCCCC3)C1)CCO2 ZINC000649128962 451863559 /nfs/dbraw/zinc/86/35/59/451863559.db2.gz GGAOEHUDXSBHJO-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CCO1 ZINC000646846097 451883045 /nfs/dbraw/zinc/88/30/45/451883045.db2.gz NXPXKKSRKCXGSE-LRDDRELGSA-N 1 3 331.416 1.683 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639473490 451884977 /nfs/dbraw/zinc/88/49/77/451884977.db2.gz KAOMBKGWIXUPNH-KRWDZBQOSA-N 1 3 328.497 1.331 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639473490 451884983 /nfs/dbraw/zinc/88/49/83/451884983.db2.gz KAOMBKGWIXUPNH-KRWDZBQOSA-N 1 3 328.497 1.331 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601518 451887745 /nfs/dbraw/zinc/88/77/45/451887745.db2.gz RTHYWPWUDAXOPL-FHWLQOOXSA-N 1 3 336.451 1.697 20 0 EDADHO COc1ccc([C@@H](CNC(=O)COC2(C)C[NH2+]C2)N2CCCC2)cc1 ZINC000649277245 451948119 /nfs/dbraw/zinc/94/81/19/451948119.db2.gz PLHAVEKILKFALJ-QGZVFWFLSA-N 1 3 347.459 1.327 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cnn1C ZINC000649292847 451969068 /nfs/dbraw/zinc/96/90/68/451969068.db2.gz GOJSHPJHDZLEOI-DTDBQYNISA-N 1 3 347.507 1.411 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649303001 451980206 /nfs/dbraw/zinc/98/02/06/451980206.db2.gz NIPNFHBVSSWCMC-CABCVRRESA-N 1 3 325.403 1.520 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308866 451986465 /nfs/dbraw/zinc/98/64/65/451986465.db2.gz DIKZHSNGLDTSBC-CABCVRRESA-N 1 3 337.489 1.312 20 0 EDADHO CN1CC[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000649310952 451987539 /nfs/dbraw/zinc/98/75/39/451987539.db2.gz PLAYUWOQFMMJQG-HXUWFJFHSA-N 1 3 344.503 1.712 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649329708 452010611 /nfs/dbraw/zinc/01/06/11/452010611.db2.gz CPPXAGCQLRLCQH-QRQLOZEOSA-N 1 3 345.487 1.734 20 0 EDADHO C[C@H](NC1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCOCC1)c1ccccc1 ZINC000649335093 452016229 /nfs/dbraw/zinc/01/62/29/452016229.db2.gz DTYIDNJCRIWAFR-HPBDAGMYSA-N 1 3 343.471 1.753 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CCN(C)C1 ZINC000649345413 452025983 /nfs/dbraw/zinc/02/59/83/452025983.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 1 3 344.503 1.390 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CCN(C)C1 ZINC000649345413 452025991 /nfs/dbraw/zinc/02/59/91/452025991.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 1 3 344.503 1.390 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649345710 452026117 /nfs/dbraw/zinc/02/61/17/452026117.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 1 3 346.475 1.379 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649345710 452026122 /nfs/dbraw/zinc/02/61/22/452026122.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 1 3 346.475 1.379 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346625 452028838 /nfs/dbraw/zinc/02/88/38/452028838.db2.gz WRFUHAWZWQWXFT-AWEZNQCLSA-N 1 3 333.423 1.237 20 0 EDADHO C[C@@H](CC(=O)Nc1cnccc1N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000649351558 452035260 /nfs/dbraw/zinc/03/52/60/452035260.db2.gz AUBUIHUEVIVNOC-HNNXBMFYSA-N 1 3 345.491 1.798 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cnnn2-c2ccccc2)CC1 ZINC000651732345 452043474 /nfs/dbraw/zinc/04/34/74/452043474.db2.gz SAEXAZLHTKALCV-UHFFFAOYSA-N 1 3 329.448 1.592 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000639765111 452107187 /nfs/dbraw/zinc/10/71/87/452107187.db2.gz ZYLQFRBTWBFHCG-HXUWFJFHSA-N 1 3 347.503 1.407 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000639765111 452107193 /nfs/dbraw/zinc/10/71/93/452107193.db2.gz ZYLQFRBTWBFHCG-HXUWFJFHSA-N 1 3 347.503 1.407 20 0 EDADHO CN1CC[C@@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1(C)C ZINC000641787903 452262508 /nfs/dbraw/zinc/26/25/08/452262508.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 1 3 338.540 1.245 20 0 EDADHO C[N@@H+]1CC[C@@H](N[C@H]2CCCN(CCN3CCOCC3)C2)CC1(C)C ZINC000641787903 452262520 /nfs/dbraw/zinc/26/25/20/452262520.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 1 3 338.540 1.245 20 0 EDADHO C[N@H+]1CC[C@@H](N[C@H]2CCCN(CCN3CCOCC3)C2)CC1(C)C ZINC000641787903 452262531 /nfs/dbraw/zinc/26/25/31/452262531.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 1 3 338.540 1.245 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000659437875 452284027 /nfs/dbraw/zinc/28/40/27/452284027.db2.gz KROKTHXPGRLJCF-UHFFFAOYSA-N 1 3 338.521 1.481 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659438432 452286690 /nfs/dbraw/zinc/28/66/90/452286690.db2.gz XAPYCGWWPNZRDR-KRWDZBQOSA-N 1 3 340.512 1.376 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000638049688 452318738 /nfs/dbraw/zinc/31/87/38/452318738.db2.gz GMQVOOMCLYGLJS-OFQRWUPVSA-N 1 3 337.489 1.754 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050475 452321035 /nfs/dbraw/zinc/32/10/35/452321035.db2.gz OMXJYOSZXBOTNF-LJQANCHMSA-N 1 3 346.519 1.828 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000638049788 452321522 /nfs/dbraw/zinc/32/15/22/452321522.db2.gz NRGDNIXWJHTTKM-SJLPKXTDSA-N 1 3 329.444 1.996 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)CN1Cc1ccccc1 ZINC000659468537 452325835 /nfs/dbraw/zinc/32/58/35/452325835.db2.gz BPPYFTXTYMLLLZ-WAZRQNRBSA-N 1 3 328.460 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCCC1 ZINC000665760556 452331950 /nfs/dbraw/zinc/33/19/50/452331950.db2.gz KEZLWERVCXZKFL-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCCC1 ZINC000665760556 452331957 /nfs/dbraw/zinc/33/19/57/452331957.db2.gz KEZLWERVCXZKFL-HNNXBMFYSA-N 1 3 328.501 1.110 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000659481447 452340691 /nfs/dbraw/zinc/34/06/91/452340691.db2.gz YXJPOXGVHAOHHZ-QZTJIDSGSA-N 1 3 348.491 1.426 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638056191 452341147 /nfs/dbraw/zinc/34/11/47/452341147.db2.gz WXHUPEDZTUAWAP-IBGZPJMESA-N 1 3 346.519 1.684 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CCN(C4CC4)C3)C2)C1 ZINC000652152488 452344639 /nfs/dbraw/zinc/34/46/39/452344639.db2.gz ORCIITIYCTTWJI-ANQUJSFKSA-N 1 3 336.480 1.151 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000665763801 452349315 /nfs/dbraw/zinc/34/93/15/452349315.db2.gz MGGOKDPIFIOAKW-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C2CCC2)C1 ZINC000665763801 452349325 /nfs/dbraw/zinc/34/93/25/452349325.db2.gz MGGOKDPIFIOAKW-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CN1C1CC1 ZINC000657593998 452359125 /nfs/dbraw/zinc/35/91/25/452359125.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 1 3 329.488 1.968 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659513909 452378191 /nfs/dbraw/zinc/37/81/91/452378191.db2.gz MCMHCZUWNHYDDJ-WMZOPIPTSA-N 1 3 346.475 1.052 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659515126 452380941 /nfs/dbraw/zinc/38/09/41/452380941.db2.gz AWCBMHLTISXBTP-IAGOWNOFSA-N 1 3 334.464 1.036 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659519761 452382649 /nfs/dbraw/zinc/38/26/49/452382649.db2.gz LBEATDBELBRHBY-SJORKVTESA-N 1 3 332.448 1.239 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000659524890 452389223 /nfs/dbraw/zinc/38/92/23/452389223.db2.gz WQBCIJVFFRJINC-KSSFIOAISA-N 1 3 346.475 1.759 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000655680957 452506507 /nfs/dbraw/zinc/50/65/07/452506507.db2.gz QSVPRIAZUOAZDW-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO Cc1cccc2nc(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804556 452536892 /nfs/dbraw/zinc/53/68/92/452536892.db2.gz URBNTTXEDPWSBH-KZNAEPCWSA-N 1 3 328.460 1.932 20 0 EDADHO COc1ccc2c(c1)OC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000647909419 452649305 /nfs/dbraw/zinc/64/93/05/452649305.db2.gz MCQRQZUPXNEMJV-INIZCTEOSA-N 1 3 334.460 1.824 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@H](CN)C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000655911066 452667620 /nfs/dbraw/zinc/66/76/20/452667620.db2.gz ADPWPUUUWFQUBZ-CHWSQXEVSA-N 1 3 338.418 1.932 20 0 EDADHO C[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)N(C)Cc1ccccc1 ZINC000655916735 452677628 /nfs/dbraw/zinc/67/76/28/452677628.db2.gz HKAAEWREMXLEOA-DGCLKSJQSA-N 1 3 332.370 1.696 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655959573 452741273 /nfs/dbraw/zinc/74/12/73/452741273.db2.gz UUFRTINCQNIFEY-DLBZAZTESA-N 1 3 344.459 1.478 20 0 EDADHO COC[C@H]([NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000658140757 452748846 /nfs/dbraw/zinc/74/88/46/452748846.db2.gz VBVSGJQEEAMQLK-PMACEKPBSA-N 1 3 348.487 1.784 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655975318 452756220 /nfs/dbraw/zinc/75/62/20/452756220.db2.gz NPAFKIFLSAHCRY-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000655975314 452756901 /nfs/dbraw/zinc/75/69/01/452756901.db2.gz NPAFKIFLSAHCRY-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000652625051 452784117 /nfs/dbraw/zinc/78/41/17/452784117.db2.gz UUPCUQNQGWLWCE-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000652625051 452784131 /nfs/dbraw/zinc/78/41/31/452784131.db2.gz UUPCUQNQGWLWCE-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726532 452840922 /nfs/dbraw/zinc/84/09/22/452840922.db2.gz ULTXGCQYAOGOKL-ZWKOTPCHSA-N 1 3 343.475 1.930 20 0 EDADHO [NH3+]CCOCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153113 452864427 /nfs/dbraw/zinc/86/44/27/452864427.db2.gz IQIFWQJDYQRDQM-UHFFFAOYSA-N 1 3 339.867 1.740 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000648169723 452880224 /nfs/dbraw/zinc/88/02/24/452880224.db2.gz OPSLBNGYNWZIJO-KRWDZBQOSA-N 1 3 347.459 1.327 20 0 EDADHO Cc1cnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664228952 452905808 /nfs/dbraw/zinc/90/58/08/452905808.db2.gz TWARBWWPVDPZRI-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO Cc1cnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664228952 452905816 /nfs/dbraw/zinc/90/58/16/452905816.db2.gz TWARBWWPVDPZRI-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO C[C@@H](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000664293480 452971068 /nfs/dbraw/zinc/97/10/68/452971068.db2.gz YUOWJRURQDUEJF-SZMVWBNQSA-N 1 3 348.491 1.213 20 0 EDADHO C[C@@H](CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000664293480 452971070 /nfs/dbraw/zinc/97/10/70/452971070.db2.gz YUOWJRURQDUEJF-SZMVWBNQSA-N 1 3 348.491 1.213 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2cccnc2s1 ZINC000664315974 452989413 /nfs/dbraw/zinc/98/94/13/452989413.db2.gz XSGLRFNQJLIWRP-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2cccnc2s1 ZINC000664315974 452989418 /nfs/dbraw/zinc/98/94/18/452989418.db2.gz XSGLRFNQJLIWRP-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276460 453001527 /nfs/dbraw/zinc/00/15/27/453001527.db2.gz JBIXPKRWDCSCFN-HOTGVXAUSA-N 1 3 345.491 1.705 20 0 EDADHO C[C@@H]1C[C@@H]1c1noc(CC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662286164 453010251 /nfs/dbraw/zinc/01/02/51/453010251.db2.gz OWNVLNPKEDMFAC-KBMXLJTQSA-N 1 3 346.475 1.969 20 0 EDADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000662299136 453020711 /nfs/dbraw/zinc/02/07/11/453020711.db2.gz ZXXJUODNHAJEML-OTWHNJEPSA-N 1 3 349.519 1.868 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666633520 453025788 /nfs/dbraw/zinc/02/57/88/453025788.db2.gz HYBZKEIOGGBPDQ-HNNXBMFYSA-N 1 3 346.475 1.712 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666633520 453025795 /nfs/dbraw/zinc/02/57/95/453025795.db2.gz HYBZKEIOGGBPDQ-HNNXBMFYSA-N 1 3 346.475 1.712 20 0 EDADHO Cn1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cn1 ZINC000662327316 453046717 /nfs/dbraw/zinc/04/67/17/453046717.db2.gz NEQJJLOHGSLFSS-UHFFFAOYSA-N 1 3 328.464 1.990 20 0 EDADHO Cn1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC000662327316 453046727 /nfs/dbraw/zinc/04/67/27/453046727.db2.gz NEQJJLOHGSLFSS-UHFFFAOYSA-N 1 3 328.464 1.990 20 0 EDADHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCOC1 ZINC000660128044 453055514 /nfs/dbraw/zinc/05/55/14/453055514.db2.gz SBQCUQJQFTZCAO-FSGLHJGXSA-N 1 3 337.508 1.281 20 0 EDADHO CO[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)[C@H]1CCOC1 ZINC000660128044 453055522 /nfs/dbraw/zinc/05/55/22/453055522.db2.gz SBQCUQJQFTZCAO-FSGLHJGXSA-N 1 3 337.508 1.281 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434399 453142472 /nfs/dbraw/zinc/14/24/72/453142472.db2.gz BBGWDKMOMFOSBT-GDBMZVCRSA-N 1 3 332.448 1.320 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434399 453142479 /nfs/dbraw/zinc/14/24/79/453142479.db2.gz BBGWDKMOMFOSBT-GDBMZVCRSA-N 1 3 332.448 1.320 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)NCC1([NH+]2CCCC2)CCOCC1 ZINC000662447422 453154095 /nfs/dbraw/zinc/15/40/95/453154095.db2.gz VTVCLKCVOPYXRC-GOSISDBHSA-N 1 3 343.471 1.982 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459392 453168246 /nfs/dbraw/zinc/16/82/46/453168246.db2.gz YNOPTLFRZSIODC-AWEZNQCLSA-N 1 3 334.468 1.197 20 0 EDADHO CCN1C[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000648746858 453231292 /nfs/dbraw/zinc/23/12/92/453231292.db2.gz NVRBJBKSQKCTNW-KRWDZBQOSA-N 1 3 331.460 1.872 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000664598249 453232561 /nfs/dbraw/zinc/23/25/61/453232561.db2.gz GGHCJVYGVUDUNQ-JYJNAYRXSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000664598249 453232570 /nfs/dbraw/zinc/23/25/70/453232570.db2.gz GGHCJVYGVUDUNQ-JYJNAYRXSA-N 1 3 328.501 1.515 20 0 EDADHO C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666977576 453296751 /nfs/dbraw/zinc/29/67/51/453296751.db2.gz DCJJTPGXTFHBNH-INIZCTEOSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666978408 453298980 /nfs/dbraw/zinc/29/89/80/453298980.db2.gz ZFIFHZOUZDPJNI-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N2CCCC2)cc1 ZINC000653114098 453302188 /nfs/dbraw/zinc/30/21/88/453302188.db2.gz YAMLQFFCLLHKNC-ZWKOTPCHSA-N 1 3 332.492 1.527 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121996 453312662 /nfs/dbraw/zinc/31/26/62/453312662.db2.gz IEOYFMFVLVDGRJ-OAOQPFQOSA-N 1 3 349.500 1.483 20 0 EDADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc2c(c1)CNC2 ZINC000662613050 453332537 /nfs/dbraw/zinc/33/25/37/453332537.db2.gz ALRNLPSCQNMHET-UHFFFAOYSA-N 1 3 343.471 1.911 20 0 EDADHO Cc1nn(CC2CC2)c(C)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000651263870 453406574 /nfs/dbraw/zinc/40/65/74/453406574.db2.gz PVSJVLXLYPZKGF-UHFFFAOYSA-N 1 3 349.523 1.404 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1Cl ZINC000662693691 453414528 /nfs/dbraw/zinc/41/45/28/453414528.db2.gz LJQNYKPTFAEFGU-SWLSCSKDSA-N 1 3 341.839 1.583 20 0 EDADHO [NH3+][C@H](CCC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000662708599 453431989 /nfs/dbraw/zinc/43/19/89/453431989.db2.gz NIPNNNVNLCICOL-ZWKOTPCHSA-N 1 3 331.460 1.836 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)N)no2)CC1 ZINC000662727029 453454051 /nfs/dbraw/zinc/45/40/51/453454051.db2.gz XNZXPIYATWFSSN-UHFFFAOYSA-N 1 3 338.452 1.488 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746626 453476457 /nfs/dbraw/zinc/47/64/57/453476457.db2.gz VFMSJUJSFUNOGE-ZOBUZTSGSA-N 1 3 348.495 1.395 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453493994 /nfs/dbraw/zinc/49/39/94/453493994.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 1 3 329.510 1.076 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655867 453494002 /nfs/dbraw/zinc/49/40/02/453494002.db2.gz JHWPKTLDYWTTFL-JKSUJKDBSA-N 1 3 329.510 1.076 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](CO)C3)CC2)CC1 ZINC000646650304 453540030 /nfs/dbraw/zinc/54/00/30/453540030.db2.gz RJPCIOMDSVFCTG-MRXNPFEDSA-N 1 3 337.508 1.414 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CN(C)C(C)C)cc1F ZINC000662871076 453581643 /nfs/dbraw/zinc/58/16/43/453581643.db2.gz SLKSNNYEKKTGOQ-HOCLYGCPSA-N 1 3 337.439 1.736 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873289 453582688 /nfs/dbraw/zinc/58/26/88/453582688.db2.gz WCABDCBNTUNRRK-KURKYZTESA-N 1 3 331.460 1.126 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)C1 ZINC000659041916 453595889 /nfs/dbraw/zinc/59/58/89/453595889.db2.gz JVFBCRXZMMUYPE-PKOBYXMFSA-N 1 3 344.459 1.907 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C2)C1 ZINC000659041916 453595895 /nfs/dbraw/zinc/59/58/95/453595895.db2.gz JVFBCRXZMMUYPE-PKOBYXMFSA-N 1 3 344.459 1.907 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000662926945 453608533 /nfs/dbraw/zinc/60/85/33/453608533.db2.gz RWXHBAXTATZBPU-LJQANCHMSA-N 1 3 346.519 1.997 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCCCO1 ZINC000665270312 453631394 /nfs/dbraw/zinc/63/13/94/453631394.db2.gz VXEFVDKPIGMPLD-BBWFWOEESA-N 1 3 342.528 1.905 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCCCO1 ZINC000665270312 453631396 /nfs/dbraw/zinc/63/13/96/453631396.db2.gz VXEFVDKPIGMPLD-BBWFWOEESA-N 1 3 342.528 1.905 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(N)CC3(CCC3)C2)[C@H](C)C1 ZINC000659285309 453701023 /nfs/dbraw/zinc/70/10/23/453701023.db2.gz LWODHGVKNONGPE-CVEARBPZSA-N 1 3 337.508 1.901 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2(N)CC3(CCC3)C2)[C@H](C)C1 ZINC000659285309 453701028 /nfs/dbraw/zinc/70/10/28/453701028.db2.gz LWODHGVKNONGPE-CVEARBPZSA-N 1 3 337.508 1.901 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657347033 453770877 /nfs/dbraw/zinc/77/08/77/453770877.db2.gz MJBKJTAHDPTVIR-QGZVFWFLSA-N 1 3 342.491 1.631 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC3=CC[NH2+]CC3)c2)CC1 ZINC000667396424 486760991 /nfs/dbraw/zinc/76/09/91/486760991.db2.gz MRNNJDUEZFATRE-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000416978617 486790620 /nfs/dbraw/zinc/79/06/20/486790620.db2.gz VXUYWAOITLPWJI-JKSUJKDBSA-N 1 3 334.464 1.696 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000669110407 485672105 /nfs/dbraw/zinc/67/21/05/485672105.db2.gz LCRGNWDCVMXNQC-UHFFFAOYSA-N 1 3 330.476 1.745 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000669389591 486025329 /nfs/dbraw/zinc/02/53/29/486025329.db2.gz ZUSWEYDASJTXPB-ZIAGYGMSSA-N 1 3 326.510 1.337 20 0 EDADHO [NH3+][C@H](CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000669420211 486139323 /nfs/dbraw/zinc/13/93/23/486139323.db2.gz DVXPNBTUPHPXDX-SJLPKXTDSA-N 1 3 330.476 1.935 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670787176 486218309 /nfs/dbraw/zinc/21/83/09/486218309.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 1 3 341.459 1.575 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000670787176 486218313 /nfs/dbraw/zinc/21/83/13/486218313.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 1 3 341.459 1.575 20 0 EDADHO CN(C(=O)c1ccc2cncn2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670787176 486218319 /nfs/dbraw/zinc/21/83/19/486218319.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 1 3 341.459 1.575 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000669428472 491188608 /nfs/dbraw/zinc/18/86/08/491188608.db2.gz MQJXKRMDJCWRBA-HNNXBMFYSA-N 1 3 336.505 1.950 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1 ZINC000188699429 520750385 /nfs/dbraw/zinc/75/03/85/520750385.db2.gz VFBHDAGSPIMNQV-UHFFFAOYSA-N 1 3 341.459 1.827 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339744401 535063411 /nfs/dbraw/zinc/06/34/11/535063411.db2.gz JQXARTOWNLYVSP-UHFFFAOYSA-N 1 3 348.491 1.163 20 0 EDADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262660920 535316573 /nfs/dbraw/zinc/31/65/73/535316573.db2.gz GASPXOYBBAUQND-OALUTQOASA-N 1 3 347.503 1.922 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000125511622 535513707 /nfs/dbraw/zinc/51/37/07/535513707.db2.gz YRVOZZCQUMLABO-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236939069 535688550 /nfs/dbraw/zinc/68/85/50/535688550.db2.gz IPVTWPKNIMUSMQ-AYHJJNSGSA-N 1 3 336.524 1.441 20 0 EDADHO CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCN(CC)C[C@@H]3C)C2)nc1 ZINC000346835159 535690966 /nfs/dbraw/zinc/69/09/66/535690966.db2.gz OMULUQVMBXHMEB-WMLDXEAASA-N 1 3 346.475 1.767 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262715835 536033568 /nfs/dbraw/zinc/03/35/68/536033568.db2.gz DOUPBOLSMIZQME-KRWDZBQOSA-N 1 3 341.459 1.799 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333504 536143285 /nfs/dbraw/zinc/14/32/85/536143285.db2.gz YPWQVLWJXSQTAY-UXLLHSPISA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333504 536143288 /nfs/dbraw/zinc/14/32/88/536143288.db2.gz YPWQVLWJXSQTAY-UXLLHSPISA-N 1 3 340.537 1.549 20 0 EDADHO COc1cc(C)nc(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000347144147 536690159 /nfs/dbraw/zinc/69/01/59/536690159.db2.gz XKLFBDLSGHMVFH-HNNXBMFYSA-N 1 3 332.448 1.042 20 0 EDADHO COc1cc(C)nc(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)c1 ZINC000347144147 536690161 /nfs/dbraw/zinc/69/01/61/536690161.db2.gz XKLFBDLSGHMVFH-HNNXBMFYSA-N 1 3 332.448 1.042 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000743768074 579490397 /nfs/dbraw/zinc/49/03/97/579490397.db2.gz SXHLSWULLVFDDA-RTBURBONSA-N 1 3 345.487 1.500 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000743768074 579490399 /nfs/dbraw/zinc/49/03/99/579490399.db2.gz SXHLSWULLVFDDA-RTBURBONSA-N 1 3 345.487 1.500 20 0 EDADHO CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000760161537 580024708 /nfs/dbraw/zinc/02/47/08/580024708.db2.gz YOHBJDAPOGREMV-QWHCGFSZSA-N 1 3 334.407 1.400 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccc[nH]1 ZINC000760311728 580027819 /nfs/dbraw/zinc/02/78/19/580027819.db2.gz SVPNTUNLEZUORX-CQSZACIVSA-N 1 3 333.480 1.934 20 0 EDADHO CN(C)[C@@]1(CNC(=S)NCC2CC[NH+](C)CC2)CCSC1 ZINC000760491149 580032034 /nfs/dbraw/zinc/03/20/34/580032034.db2.gz LWDQPERNVQPCSO-OAHLLOKOSA-N 1 3 330.567 1.230 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000750771544 579780612 /nfs/dbraw/zinc/78/06/12/579780612.db2.gz HJFZTLGHJJNTMY-QGZVFWFLSA-N 1 3 332.492 1.562 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCCSC ZINC000752750404 579865097 /nfs/dbraw/zinc/86/50/97/579865097.db2.gz JBAWQBOCALDIBZ-AWEZNQCLSA-N 1 3 332.583 1.572 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCCSC ZINC000752750404 579865098 /nfs/dbraw/zinc/86/50/98/579865098.db2.gz JBAWQBOCALDIBZ-AWEZNQCLSA-N 1 3 332.583 1.572 20 0 EDADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280850 580139284 /nfs/dbraw/zinc/13/92/84/580139284.db2.gz TXUSIOWUIFBZKV-WBVHZDCISA-N 1 3 339.505 1.426 20 0 EDADHO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(C)C3=O)CC[N@@H+]2C)cc1 ZINC000774100006 580353909 /nfs/dbraw/zinc/35/39/09/580353909.db2.gz ONFJUFLDRVWWJG-BHYGNILZSA-N 1 3 346.427 1.710 20 0 EDADHO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(C)C3=O)CC[N@H+]2C)cc1 ZINC000774100006 580353910 /nfs/dbraw/zinc/35/39/10/580353910.db2.gz ONFJUFLDRVWWJG-BHYGNILZSA-N 1 3 346.427 1.710 20 0 EDADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775372659 580389497 /nfs/dbraw/zinc/38/94/97/580389497.db2.gz FTCYSTJIITXBAA-BZUAXINKSA-N 1 3 329.579 1.983 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)CC2CC[NH+](C)CC2)cc1 ZINC000788482687 580722577 /nfs/dbraw/zinc/72/25/77/580722577.db2.gz QOBPHGNEKZBDQB-UHFFFAOYSA-N 1 3 339.505 1.547 20 0 EDADHO C[NH+](C)CCCOC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000792203312 580813376 /nfs/dbraw/zinc/81/33/76/580813376.db2.gz JHOUNWMBTBTYTQ-UHFFFAOYSA-N 1 3 334.460 1.999 20 0 EDADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000792933069 580831214 /nfs/dbraw/zinc/83/12/14/580831214.db2.gz GFPWWMFZHVPUKM-CGTJXYLNSA-N 1 3 334.460 1.453 20 0 EDADHO C[NH+](C)CCCNC(=S)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000794992152 580910257 /nfs/dbraw/zinc/91/02/57/580910257.db2.gz VVUCRNYNXRNGKQ-KRWDZBQOSA-N 1 3 334.533 1.924 20 0 EDADHO COCC1(CNC(=O)N2CCN(C)C(C)(C)CC2)CC[NH2+]CC1 ZINC000892113243 590806332 /nfs/dbraw/zinc/80/63/32/590806332.db2.gz PIPCAJWGSZNYPL-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO C[NH+]1CCC(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000893487403 590904873 /nfs/dbraw/zinc/90/48/73/590904873.db2.gz JGXIUKKEKXYBSW-KRWDZBQOSA-N 1 3 343.537 1.655 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC000892564754 591074422 /nfs/dbraw/zinc/07/44/22/591074422.db2.gz KLHAXHWEWMFBPA-OKYOBFRVSA-N 1 3 342.487 1.887 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000891638951 591162217 /nfs/dbraw/zinc/16/22/17/591162217.db2.gz OCGRZKAABISERB-GOSISDBHSA-N 1 3 348.516 1.569 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891670870 591177104 /nfs/dbraw/zinc/17/71/04/591177104.db2.gz UPRIJTFGGCQOJF-VQIMIIECSA-N 1 3 344.503 1.978 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000891670870 591177106 /nfs/dbraw/zinc/17/71/06/591177106.db2.gz UPRIJTFGGCQOJF-VQIMIIECSA-N 1 3 344.503 1.978 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892787997 591178069 /nfs/dbraw/zinc/17/80/69/591178069.db2.gz FFUFAJCXNPVMSI-GOSISDBHSA-N 1 3 346.475 1.111 20 0 EDADHO CN(C(=O)NC[C@@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892797612 591181438 /nfs/dbraw/zinc/18/14/38/591181438.db2.gz QENAMQRNIJFMJT-HTUJPFKRSA-N 1 3 342.487 1.968 20 0 EDADHO CN(C(=O)NC[C@@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892797612 591181440 /nfs/dbraw/zinc/18/14/40/591181440.db2.gz QENAMQRNIJFMJT-HTUJPFKRSA-N 1 3 342.487 1.968 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000892808411 591186955 /nfs/dbraw/zinc/18/69/55/591186955.db2.gz BAMRRXSXCDDRRM-RTBURBONSA-N 1 3 342.487 1.971 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC2(C[NH3+])CCCCC2)ccn1 ZINC000891726023 591199488 /nfs/dbraw/zinc/19/94/88/591199488.db2.gz JEKMFFNUTWAIEW-UHFFFAOYSA-N 1 3 349.479 1.483 20 0 EDADHO CN1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768497 591268748 /nfs/dbraw/zinc/26/87/48/591268748.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 1 3 326.448 1.862 20 0 EDADHO CN1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768497 591268750 /nfs/dbraw/zinc/26/87/50/591268750.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 1 3 326.448 1.862 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000895855451 591288578 /nfs/dbraw/zinc/28/85/78/591288578.db2.gz SBNXOGLIWIYZGW-BZUAXINKSA-N 1 3 337.508 1.580 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894767334 591414278 /nfs/dbraw/zinc/41/42/78/591414278.db2.gz VVUIICPFFBZAAJ-UHFFFAOYSA-N 1 3 331.464 1.726 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517536 591517360 /nfs/dbraw/zinc/51/73/60/591517360.db2.gz AZQVVCVPVHBFTE-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)CCO2 ZINC000897557975 591553775 /nfs/dbraw/zinc/55/37/75/591553775.db2.gz VEBVZBYKAVUAKG-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)CCO2 ZINC000897557975 591553776 /nfs/dbraw/zinc/55/37/76/591553776.db2.gz VEBVZBYKAVUAKG-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909474102 591619912 /nfs/dbraw/zinc/61/99/12/591619912.db2.gz CICFYRUMYHEUBR-GOSISDBHSA-N 1 3 335.448 1.542 20 0 EDADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000909474102 591619917 /nfs/dbraw/zinc/61/99/17/591619917.db2.gz CICFYRUMYHEUBR-GOSISDBHSA-N 1 3 335.448 1.542 20 0 EDADHO Cn1cc([C@@]2(CNC3CC[NH+](C[C@H]4CCCO4)CC3)CCCO2)cn1 ZINC000898052679 591755735 /nfs/dbraw/zinc/75/57/35/591755735.db2.gz KDUVTZBEGRCWMD-MOPGFXCFSA-N 1 3 348.491 1.659 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902319960 591968678 /nfs/dbraw/zinc/96/86/78/591968678.db2.gz NHYJHVPKOOPMME-QGZVFWFLSA-N 1 3 331.508 1.701 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000902349257 591978818 /nfs/dbraw/zinc/97/88/18/591978818.db2.gz YIQHKRRQUCWIGZ-NVXWUHKLSA-N 1 3 327.538 1.562 20 0 EDADHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336544 591980497 /nfs/dbraw/zinc/98/04/97/591980497.db2.gz NIIMDDBHAVJTDJ-KRWDZBQOSA-N 1 3 331.508 1.701 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000900313435 591985509 /nfs/dbraw/zinc/98/55/09/591985509.db2.gz WRIWCNGKHDPJCU-GOSISDBHSA-N 1 3 325.497 1.414 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000900313435 591985512 /nfs/dbraw/zinc/98/55/12/591985512.db2.gz WRIWCNGKHDPJCU-GOSISDBHSA-N 1 3 325.497 1.414 20 0 EDADHO CC(C)(C[NH2+][C@H]1CCNCC(C)(C)C1)[C@@H]1COCC12OCCO2 ZINC000902390862 591989853 /nfs/dbraw/zinc/98/98/53/591989853.db2.gz PWKMQCQOIVBYBA-GJZGRUSLSA-N 1 3 326.481 1.770 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395548 591990772 /nfs/dbraw/zinc/99/07/72/591990772.db2.gz GUGUKGQRTXTROG-UONOGXRCSA-N 1 3 329.452 1.071 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2(N)CC2)cc1 ZINC000902414451 591997169 /nfs/dbraw/zinc/99/71/69/591997169.db2.gz ATYDJWFCNSFMJE-CYBMUJFWSA-N 1 3 325.478 1.859 20 0 EDADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)ccn1 ZINC000903199229 592134293 /nfs/dbraw/zinc/13/42/93/592134293.db2.gz JGBPUZCYYBXLEB-RTBURBONSA-N 1 3 331.460 1.831 20 0 EDADHO Cc1cn2c(nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454171 592173682 /nfs/dbraw/zinc/17/36/82/592173682.db2.gz WIQIDYIMHSNNAD-KBPBESRZSA-N 1 3 332.473 1.886 20 0 EDADHO C[C@@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510242 592190587 /nfs/dbraw/zinc/19/05/87/592190587.db2.gz FJVURUFNFFLJLR-ZYSHUDEJSA-N 1 3 342.487 1.914 20 0 EDADHO C[C@@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510242 592190589 /nfs/dbraw/zinc/19/05/89/592190589.db2.gz FJVURUFNFFLJLR-ZYSHUDEJSA-N 1 3 342.487 1.914 20 0 EDADHO Cn1c(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc2ccccc21 ZINC000903525022 592197921 /nfs/dbraw/zinc/19/79/21/592197921.db2.gz KCKGJELJWLELRD-BEFAXECRSA-N 1 3 341.459 1.310 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536590 592199445 /nfs/dbraw/zinc/19/94/45/592199445.db2.gz GBGMURJHUVCTOQ-DOTOQJQBSA-N 1 3 337.489 1.640 20 0 EDADHO CN(c1ccccc1CN1CCC[C@]([NH3+])(CO)C1)C1CCN(C)CC1 ZINC000904407441 592250694 /nfs/dbraw/zinc/25/06/94/592250694.db2.gz WFGPHSYKFYTJML-HXUWFJFHSA-N 1 3 346.519 1.503 20 0 EDADHO CCc1noc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904428207 592253822 /nfs/dbraw/zinc/25/38/22/592253822.db2.gz GOQZRZCZUZRGJD-MGPQQGTHSA-N 1 3 335.452 1.055 20 0 EDADHO CCCCCNC(=O)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725423 592285163 /nfs/dbraw/zinc/28/51/63/592285163.db2.gz ZMOXQOGWSVXUTI-HKUYNNGSSA-N 1 3 337.508 1.773 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904607899 592295573 /nfs/dbraw/zinc/29/55/73/592295573.db2.gz VRLUFHGERRXYTL-SJORKVTESA-N 1 3 346.475 1.943 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658731 592303266 /nfs/dbraw/zinc/30/32/66/592303266.db2.gz HEFCHIDEOIFCBK-HNNXBMFYSA-N 1 3 333.480 1.540 20 0 EDADHO COCC(C)(C)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764312 592308528 /nfs/dbraw/zinc/30/85/28/592308528.db2.gz RDTFFJLCDTYKCE-INIZCTEOSA-N 1 3 325.497 1.188 20 0 EDADHO C[NH2+]CCOCCN(C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000903769700 592311021 /nfs/dbraw/zinc/31/10/21/592311021.db2.gz MIZHLIPINSIXFT-UHFFFAOYSA-N 1 3 331.416 1.689 20 0 EDADHO CCC[C@](C)(N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000904928984 592349494 /nfs/dbraw/zinc/34/94/94/592349494.db2.gz AGNNQLXQDXOEHW-SFHVURJKSA-N 1 3 334.464 1.427 20 0 EDADHO O[C@@H](CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000903892913 592365763 /nfs/dbraw/zinc/36/57/63/592365763.db2.gz YAQUBVQSYAJDHX-QZNYNHHHSA-N 1 3 329.488 1.868 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2C[C@H](C)NCc3ccc(F)cc32)cnn1C ZINC000903918723 592376738 /nfs/dbraw/zinc/37/67/38/592376738.db2.gz GFBHKCMUDHHMNO-DZGCQCFKSA-N 1 3 345.466 1.983 20 0 EDADHO c1nc2cnccn2c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980379 592400689 /nfs/dbraw/zinc/40/06/89/592400689.db2.gz PVOILWPYBBGWNI-IYBDPMFKSA-N 1 3 326.448 1.130 20 0 EDADHO c1nc2cnccn2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980379 592400692 /nfs/dbraw/zinc/40/06/92/592400692.db2.gz PVOILWPYBBGWNI-IYBDPMFKSA-N 1 3 326.448 1.130 20 0 EDADHO c1nc2cnccn2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980379 592400696 /nfs/dbraw/zinc/40/06/96/592400696.db2.gz PVOILWPYBBGWNI-IYBDPMFKSA-N 1 3 326.448 1.130 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073461 592403700 /nfs/dbraw/zinc/40/37/00/592403700.db2.gz WRUGZTZWCBLINL-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073461 592403703 /nfs/dbraw/zinc/40/37/03/592403703.db2.gz WRUGZTZWCBLINL-RBUKOAKNSA-N 1 3 348.487 1.391 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)CC1(O)CCCC1 ZINC000905075710 592404048 /nfs/dbraw/zinc/40/40/48/592404048.db2.gz KNJFSWXJLZPKBL-QGZVFWFLSA-N 1 3 336.476 1.773 20 0 EDADHO CSC1(CNC(=O)[C@@H]2CC[C@H]3CCCCN32)CC[NH+](C)CC1 ZINC000908286673 592425268 /nfs/dbraw/zinc/42/52/68/592425268.db2.gz YHSQDWUMEOOMHD-CABCVRRESA-N 1 3 325.522 1.947 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000904336713 592475461 /nfs/dbraw/zinc/47/54/61/592475461.db2.gz JUFAWCBPYJKZJV-OKILXGFUSA-N 1 3 336.867 1.633 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249667 592476707 /nfs/dbraw/zinc/47/67/07/592476707.db2.gz ZPGIAOAXBIUFJC-ROUUACIJSA-N 1 3 335.492 1.087 20 0 EDADHO CC1(C)CCN(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000905675909 592608763 /nfs/dbraw/zinc/60/87/63/592608763.db2.gz AAHWMCIZWAXZMS-HXUWFJFHSA-N 1 3 331.504 1.945 20 0 EDADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905911728 592692026 /nfs/dbraw/zinc/69/20/26/592692026.db2.gz ZGVQLTKFBSYILW-UXHICEINSA-N 1 3 348.487 1.186 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000911736441 592993331 /nfs/dbraw/zinc/99/33/31/592993331.db2.gz RGKDSGPCPRUJIF-PVAVHDDUSA-N 1 3 343.475 1.741 20 0 EDADHO C[NH2+]C1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1 ZINC000911787815 593008678 /nfs/dbraw/zinc/00/86/78/593008678.db2.gz VSFXGCYACVQMCK-LLVKDONJSA-N 1 3 329.366 1.574 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082575 /nfs/dbraw/zinc/08/25/75/593082575.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082576 /nfs/dbraw/zinc/08/25/76/593082576.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)cnc1Cl ZINC000838640273 593199974 /nfs/dbraw/zinc/19/99/74/593199974.db2.gz NUWPDATZLDHJBC-UHFFFAOYSA-N 1 3 345.850 1.509 20 0 EDADHO Cc1ccncc1CCCNCC(=O)NCC[NH+]1CCCCCC1 ZINC000816620626 593535514 /nfs/dbraw/zinc/53/55/14/593535514.db2.gz CWECTXMMNOZELU-UHFFFAOYSA-N 1 3 332.492 1.904 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000819219261 593744933 /nfs/dbraw/zinc/74/49/33/593744933.db2.gz ORCSJTQGIFDNAZ-PKOBYXMFSA-N 1 3 345.418 1.611 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000819219261 593744934 /nfs/dbraw/zinc/74/49/34/593744934.db2.gz ORCSJTQGIFDNAZ-PKOBYXMFSA-N 1 3 345.418 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOCC1CCC1 ZINC000824062050 593921178 /nfs/dbraw/zinc/92/11/78/593921178.db2.gz PCAHFNFDNFJHTL-MRXNPFEDSA-N 1 3 326.485 1.776 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOCC1CCC1 ZINC000824062050 593921180 /nfs/dbraw/zinc/92/11/80/593921180.db2.gz PCAHFNFDNFJHTL-MRXNPFEDSA-N 1 3 326.485 1.776 20 0 EDADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000831127137 594563265 /nfs/dbraw/zinc/56/32/65/594563265.db2.gz CUCVPSMEESSYHZ-SOLBZPMBSA-N 1 3 344.459 1.117 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921953 594982104 /nfs/dbraw/zinc/98/21/04/594982104.db2.gz MXOFCKQLYHDXFA-SFHVURJKSA-N 1 3 332.492 1.944 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944173 594986687 /nfs/dbraw/zinc/98/66/87/594986687.db2.gz BLVPAPVYMNOWMQ-MJGOQNOKSA-N 1 3 346.475 1.017 20 0 EDADHO CN(C(=O)C(=O)NCC(C)(C)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000842024882 595004997 /nfs/dbraw/zinc/00/49/97/595004997.db2.gz UWYRSZZSOQPCGV-UHFFFAOYSA-N 1 3 338.496 1.095 20 0 EDADHO COc1cccc2cc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047962 595273825 /nfs/dbraw/zinc/27/38/25/595273825.db2.gz FAFVKHMEQUCOKZ-CQSZACIVSA-N 1 3 331.416 1.728 20 0 EDADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000844220503 595305745 /nfs/dbraw/zinc/30/57/45/595305745.db2.gz GBTWFXUIEWYTAP-LJQANCHMSA-N 1 3 346.475 1.569 20 0 EDADHO CN(C)C[C@@H]1CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809006 595319465 /nfs/dbraw/zinc/31/94/65/595319465.db2.gz OKQMTHARNHEDEK-YOEHRIQHSA-N 1 3 327.469 1.242 20 0 EDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809006 595319466 /nfs/dbraw/zinc/31/94/66/595319466.db2.gz OKQMTHARNHEDEK-YOEHRIQHSA-N 1 3 327.469 1.242 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848414178 595375428 /nfs/dbraw/zinc/37/54/28/595375428.db2.gz MDQUAQITAUKHMC-HKUYNNGSSA-N 1 3 331.460 1.980 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480961 595546559 /nfs/dbraw/zinc/54/65/59/595546559.db2.gz IKDZCTJVROGNAX-IRXDYDNUSA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487304 595548044 /nfs/dbraw/zinc/54/80/44/595548044.db2.gz OPPCHWBSHXFRAJ-IAGOWNOFSA-N 1 3 349.523 1.690 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522717 595557866 /nfs/dbraw/zinc/55/78/66/595557866.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 1 3 347.507 1.446 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522717 595557869 /nfs/dbraw/zinc/55/78/69/595557869.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 1 3 347.507 1.446 20 0 EDADHO NC[C@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861744 595583304 /nfs/dbraw/zinc/58/33/04/595583304.db2.gz IIKAZBGLCZKIDS-HZPDHXFCSA-N 1 3 330.432 1.118 20 0 EDADHO NC[C@H]1CC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861744 595583307 /nfs/dbraw/zinc/58/33/07/595583307.db2.gz IIKAZBGLCZKIDS-HZPDHXFCSA-N 1 3 330.432 1.118 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588186 /nfs/dbraw/zinc/58/81/86/595588186.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588188 /nfs/dbraw/zinc/58/81/88/595588188.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 1 3 349.523 1.692 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870289 595589078 /nfs/dbraw/zinc/58/90/78/595589078.db2.gz CHEMJOOAERZLFE-JSSFPYSZSA-N 1 3 344.459 1.363 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NO[C@H](CN)C1 ZINC000852870289 595589081 /nfs/dbraw/zinc/58/90/81/595589081.db2.gz CHEMJOOAERZLFE-JSSFPYSZSA-N 1 3 344.459 1.363 20 0 EDADHO CN1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000858106020 595701504 /nfs/dbraw/zinc/70/15/04/595701504.db2.gz QVYCRRPPNYIBQC-MRXNPFEDSA-N 1 3 339.505 1.568 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N[C@H]1CNCCC1(F)F ZINC000851665652 595875297 /nfs/dbraw/zinc/87/52/97/595875297.db2.gz BYXIVOWRRUIHLO-KFWWJZLASA-N 1 3 338.402 1.429 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000851666776 595876047 /nfs/dbraw/zinc/87/60/47/595876047.db2.gz IUJVUEVSTHZXMG-TZMCWYRMSA-N 1 3 330.423 1.690 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000851666776 595876048 /nfs/dbraw/zinc/87/60/48/595876048.db2.gz IUJVUEVSTHZXMG-TZMCWYRMSA-N 1 3 330.423 1.690 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676727 595880293 /nfs/dbraw/zinc/88/02/93/595880293.db2.gz IACVNXNFLQHJAR-UHFFFAOYSA-N 1 3 330.476 1.554 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951904 /nfs/dbraw/zinc/95/19/04/595951904.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 1 3 343.471 1.308 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951907 /nfs/dbraw/zinc/95/19/07/595951907.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 1 3 343.471 1.308 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000857110937 596159517 /nfs/dbraw/zinc/15/95/17/596159517.db2.gz XGSXAHYDANLVDC-YJBOKZPZSA-N 1 3 334.464 1.002 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000852629483 596212982 /nfs/dbraw/zinc/21/29/82/596212982.db2.gz CJNMXHOEABDYEX-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000852629483 596212984 /nfs/dbraw/zinc/21/29/84/596212984.db2.gz CJNMXHOEABDYEX-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO NC(=O)c1ccc(CCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000866666388 596285458 /nfs/dbraw/zinc/28/54/58/596285458.db2.gz OYXJJCIEHWCLCL-ROUUACIJSA-N 1 3 331.460 1.546 20 0 EDADHO Cc1cccc(C(=O)NC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000866697293 596298103 /nfs/dbraw/zinc/29/81/03/596298103.db2.gz MGZDYXOHMMUOES-GOSISDBHSA-N 1 3 343.471 1.710 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC000866711333 596305235 /nfs/dbraw/zinc/30/52/35/596305235.db2.gz IGOBIUQRJBOVSQ-FGTMMUONSA-N 1 3 327.428 1.931 20 0 EDADHO C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)C1CC[NH2+]CC1 ZINC000866812514 596360391 /nfs/dbraw/zinc/36/03/91/596360391.db2.gz CEFPRNFHANFOJN-ZDUSSCGKSA-N 1 3 325.478 1.415 20 0 EDADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000870986846 596430559 /nfs/dbraw/zinc/43/05/59/596430559.db2.gz QLXXUWZKTLOHIO-YJBOKZPZSA-N 1 3 330.476 1.798 20 0 EDADHO CC[C@@H](C(=O)N(CCOC)CC1CC[NH+](C)CC1)N(CC)CC ZINC000869766592 596623532 /nfs/dbraw/zinc/62/35/32/596623532.db2.gz QMGGVGAUJVCBNS-KRWDZBQOSA-N 1 3 327.513 1.924 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000868095980 596683981 /nfs/dbraw/zinc/68/39/81/596683981.db2.gz YGMZSWZTLFJWTE-WKILWMFISA-N 1 3 345.491 1.996 20 0 EDADHO CC(=O)c1cc(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870017701 596709766 /nfs/dbraw/zinc/70/97/66/596709766.db2.gz QIODYPIAJOQWQM-HUUCEWRRSA-N 1 3 337.489 1.762 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185847 596715280 /nfs/dbraw/zinc/71/52/80/596715280.db2.gz GWIAQLSRWXZUOV-IXDOHACOSA-N 1 3 332.448 1.734 20 0 EDADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000868209624 596724943 /nfs/dbraw/zinc/72/49/43/596724943.db2.gz DQPJRPUSWFOWIK-MSOLQXFVSA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCN(C2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000868209624 596724944 /nfs/dbraw/zinc/72/49/44/596724944.db2.gz DQPJRPUSWFOWIK-MSOLQXFVSA-N 1 3 349.523 1.035 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000875714233 596958097 /nfs/dbraw/zinc/95/80/97/596958097.db2.gz UHGUOEDWBGSSAR-JYJNAYRXSA-N 1 3 342.553 1.653 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2CSC[C@@H]2C1 ZINC000875714233 596958096 /nfs/dbraw/zinc/95/80/96/596958096.db2.gz UHGUOEDWBGSSAR-JYJNAYRXSA-N 1 3 342.553 1.653 20 0 EDADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000874432101 597075600 /nfs/dbraw/zinc/07/56/00/597075600.db2.gz GOJGCDDAIPFEMW-YQVWRLOYSA-N 1 3 328.460 1.512 20 0 EDADHO COC(=O)c1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)n1C ZINC000873079070 597183674 /nfs/dbraw/zinc/18/36/74/597183674.db2.gz BJVLEPVRROUNTH-RDJZCZTQSA-N 1 3 335.448 1.279 20 0 EDADHO C[N@H+](Cc1cc2c(s1)CCNC2)C1CCN(S(C)(=O)=O)CC1 ZINC000873207681 597227706 /nfs/dbraw/zinc/22/77/06/597227706.db2.gz YWCBBFRJNAPKSW-UHFFFAOYSA-N 1 3 343.518 1.250 20 0 EDADHO C[N@@H+](Cc1cc2c(s1)CCNC2)C1CCN(S(C)(=O)=O)CC1 ZINC000873207681 597227707 /nfs/dbraw/zinc/22/77/07/597227707.db2.gz YWCBBFRJNAPKSW-UHFFFAOYSA-N 1 3 343.518 1.250 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c2ccccc2O1 ZINC000876778905 597336989 /nfs/dbraw/zinc/33/69/89/597336989.db2.gz RSEAAMIFLWPIPM-SUNKGSAMSA-N 1 3 325.359 1.182 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876850677 597359182 /nfs/dbraw/zinc/35/91/82/597359182.db2.gz ZXURSODPZZQCPI-CJNGLKHVSA-N 1 3 343.393 1.803 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876877602 597366271 /nfs/dbraw/zinc/36/62/71/597366271.db2.gz YHMAZDHYHRJOOE-KBPBESRZSA-N 1 3 329.366 1.556 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000877080296 597427219 /nfs/dbraw/zinc/42/72/19/597427219.db2.gz ARLIEQKRNKKISP-KEGWNNHHSA-N 1 3 335.492 1.646 20 0 EDADHO CN(C)C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000877130059 597439007 /nfs/dbraw/zinc/43/90/07/597439007.db2.gz IEDAVPTUGLEAQH-KBPBESRZSA-N 1 3 346.397 1.313 20 0 EDADHO O=C(C[C@H]1CNCCO1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877202059 597460551 /nfs/dbraw/zinc/46/05/51/597460551.db2.gz XNHXKTAYDFOZDL-IBGZPJMESA-N 1 3 345.487 1.783 20 0 EDADHO CCOC(=O)CC(C)(C)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000877745862 597552570 /nfs/dbraw/zinc/55/25/70/597552570.db2.gz BISSUACMJRRKCF-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNCc1c2c(nn1C)CCSC2 ZINC000883034626 597626805 /nfs/dbraw/zinc/62/68/05/597626805.db2.gz ZXEDMWKEGGWMBY-ZDUSSCGKSA-N 1 3 326.510 1.656 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439546 597747261 /nfs/dbraw/zinc/74/72/61/597747261.db2.gz UPXYTYPOOBBJGG-FXUDXRNXSA-N 1 3 335.448 1.345 20 0 EDADHO COCC[C@H]([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000884207137 598029290 /nfs/dbraw/zinc/02/92/90/598029290.db2.gz NGQRCUMJPJFGJH-HNNXBMFYSA-N 1 3 337.489 1.846 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000914150897 695162367 /nfs/dbraw/zinc/16/23/67/695162367.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000914150897 695162369 /nfs/dbraw/zinc/16/23/69/695162369.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000914162444 695175282 /nfs/dbraw/zinc/17/52/82/695175282.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000914162444 695175283 /nfs/dbraw/zinc/17/52/83/695175283.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000919627372 697304747 /nfs/dbraw/zinc/30/47/47/697304747.db2.gz KMEDOJFEIQJINJ-DOTOQJQBSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000919627372 697304749 /nfs/dbraw/zinc/30/47/49/697304749.db2.gz KMEDOJFEIQJINJ-DOTOQJQBSA-N 1 3 336.480 1.023 20 0 EDADHO CC(=O)NCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930096766 697329448 /nfs/dbraw/zinc/32/94/48/697329448.db2.gz UGEFDWAHCNQHHB-DFNIBXOVSA-N 1 3 336.524 1.536 20 0 EDADHO CC(=O)NCCCCCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000930096766 697329451 /nfs/dbraw/zinc/32/94/51/697329451.db2.gz UGEFDWAHCNQHHB-DFNIBXOVSA-N 1 3 336.524 1.536 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=S)NC1CCN(C)CC1 ZINC000920312172 697422108 /nfs/dbraw/zinc/42/21/08/697422108.db2.gz XBSMZAWNLGHFJH-KFWWJZLASA-N 1 3 326.554 1.911 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1)OC ZINC001031806665 699431696 /nfs/dbraw/zinc/43/16/96/699431696.db2.gz KEGZGJIIBFJRRD-IRXDYDNUSA-N 1 3 325.497 1.580 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1)OC ZINC001031806665 699431697 /nfs/dbraw/zinc/43/16/97/699431697.db2.gz KEGZGJIIBFJRRD-IRXDYDNUSA-N 1 3 325.497 1.580 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)cn1 ZINC000939397904 699547396 /nfs/dbraw/zinc/54/73/96/699547396.db2.gz NJMYQKBADOJWOB-QAPCUYQASA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)nn1C ZINC000940149940 700283383 /nfs/dbraw/zinc/28/33/83/700283383.db2.gz SJNNZNFBKXTTCC-KRWDZBQOSA-N 1 3 347.507 1.539 20 0 EDADHO CCn1nncc1C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000940153990 700283743 /nfs/dbraw/zinc/28/37/43/700283743.db2.gz JTCVXNPCUMQYTQ-UHFFFAOYSA-N 1 3 348.495 1.253 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC000995167326 701635439 /nfs/dbraw/zinc/63/54/39/701635439.db2.gz JBFHVAXATDHOMF-OLZOCXBDSA-N 1 3 344.419 1.219 20 0 EDADHO O=C(N[C@H]1CC[C@H](CNCc2nccs2)C1)C12CC[NH+](CC1)C2 ZINC000995169215 701646688 /nfs/dbraw/zinc/64/66/88/701646688.db2.gz RMSGXQPRUMVKSG-KBPBESRZSA-N 1 3 334.489 1.613 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327957 700505208 /nfs/dbraw/zinc/50/52/08/700505208.db2.gz AWRQUFBUBXREQW-HOTGVXAUSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327957 700505210 /nfs/dbraw/zinc/50/52/10/700505210.db2.gz AWRQUFBUBXREQW-HOTGVXAUSA-N 1 3 347.507 1.571 20 0 EDADHO COc1cccc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000940461886 700665098 /nfs/dbraw/zinc/66/50/98/700665098.db2.gz QCMYRAVQTIGCQK-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075475 701102814 /nfs/dbraw/zinc/10/28/14/701102814.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075475 701102815 /nfs/dbraw/zinc/10/28/15/701102815.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999167431 706594144 /nfs/dbraw/zinc/59/41/44/706594144.db2.gz DMWAPRWBKZEPFF-ABHNRTSZSA-N 1 3 346.475 1.936 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941405092 701519445 /nfs/dbraw/zinc/51/94/45/701519445.db2.gz ZWEIJBGNLWWMLS-GOSISDBHSA-N 1 3 334.508 1.098 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941405092 701519446 /nfs/dbraw/zinc/51/94/46/701519446.db2.gz ZWEIJBGNLWWMLS-GOSISDBHSA-N 1 3 334.508 1.098 20 0 EDADHO Cc1ncsc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190822 706633495 /nfs/dbraw/zinc/63/34/95/706633495.db2.gz UKXYDTPNTSSLAW-RBSFLKMASA-N 1 3 336.505 1.872 20 0 EDADHO Cc1ncsc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999190822 706633498 /nfs/dbraw/zinc/63/34/98/706633498.db2.gz UKXYDTPNTSSLAW-RBSFLKMASA-N 1 3 336.505 1.872 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)C1CC1 ZINC000995896406 702200885 /nfs/dbraw/zinc/20/08/85/702200885.db2.gz NLJRHUMKZUEBHD-IRXDYDNUSA-N 1 3 347.507 1.129 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917601 702235757 /nfs/dbraw/zinc/23/57/57/702235757.db2.gz LJBCLSUUNPBFLC-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccn3)C2)CC[N@@H+]1C ZINC000999208413 706661716 /nfs/dbraw/zinc/66/17/16/706661716.db2.gz MYXFRNPXMVUVNY-OKZBNKHCSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccn3)C2)CC[N@H+]1C ZINC000999208413 706661718 /nfs/dbraw/zinc/66/17/18/706661718.db2.gz MYXFRNPXMVUVNY-OKZBNKHCSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@H]1CN(CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169662 702411656 /nfs/dbraw/zinc/41/16/56/702411656.db2.gz PCSODHJDLAGIHE-QWHCGFSZSA-N 1 3 333.398 1.861 20 0 EDADHO Cc1cncc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)c1 ZINC000944155769 702449337 /nfs/dbraw/zinc/44/93/37/702449337.db2.gz QANVCRSRBVUOCS-WMZOPIPTSA-N 1 3 342.487 1.812 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301459 702693549 /nfs/dbraw/zinc/69/35/49/702693549.db2.gz TWIDTFDLBQUVJN-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996607702 702911233 /nfs/dbraw/zinc/91/12/33/702911233.db2.gz DPBVWOGNXWYBII-CVEARBPZSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996607702 702911235 /nfs/dbraw/zinc/91/12/35/702911235.db2.gz DPBVWOGNXWYBII-CVEARBPZSA-N 1 3 331.464 1.063 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610900 702915973 /nfs/dbraw/zinc/91/59/73/702915973.db2.gz LMLKBGOFDSIFHR-KBPBESRZSA-N 1 3 348.495 1.206 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610900 702915974 /nfs/dbraw/zinc/91/59/74/702915974.db2.gz LMLKBGOFDSIFHR-KBPBESRZSA-N 1 3 348.495 1.206 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614376 702919616 /nfs/dbraw/zinc/91/96/16/702919616.db2.gz MYEZXRYRISXIJJ-GOEBONIOSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614376 702919618 /nfs/dbraw/zinc/91/96/18/702919618.db2.gz MYEZXRYRISXIJJ-GOEBONIOSA-N 1 3 333.480 1.007 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC000996646130 702947912 /nfs/dbraw/zinc/94/79/12/702947912.db2.gz QFHYLMMDPYGWKG-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ccn(CC)n2)CC1 ZINC000996646130 702947914 /nfs/dbraw/zinc/94/79/14/702947914.db2.gz QFHYLMMDPYGWKG-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000996646292 702948295 /nfs/dbraw/zinc/94/82/95/702948295.db2.gz SACGBFDTAMFPHE-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnc(C)cn2)CC1 ZINC000996646292 702948297 /nfs/dbraw/zinc/94/82/97/702948297.db2.gz SACGBFDTAMFPHE-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)cn1 ZINC000996725135 703019638 /nfs/dbraw/zinc/01/96/38/703019638.db2.gz SCILXWGPXLUKAG-KRWDZBQOSA-N 1 3 331.464 1.350 20 0 EDADHO COc1nccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000996727139 703022116 /nfs/dbraw/zinc/02/21/16/703022116.db2.gz DSGZBGMGGIZXRG-MRXNPFEDSA-N 1 3 347.463 1.050 20 0 EDADHO CCN1CC[NH+](C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000996789494 703082028 /nfs/dbraw/zinc/08/20/28/703082028.db2.gz QLDXJISIRLDIFM-WWDZGPRUSA-N 1 3 336.524 1.393 20 0 EDADHO Cc1nnsc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996999285 703256198 /nfs/dbraw/zinc/25/61/98/703256198.db2.gz NDTGLXRQODMICK-GFCCVEGCSA-N 1 3 337.493 1.411 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000996999371 703256311 /nfs/dbraw/zinc/25/63/11/703256311.db2.gz NVYITBCVQSAUMB-HNNXBMFYSA-N 1 3 331.464 1.350 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000997004513 703261606 /nfs/dbraw/zinc/26/16/06/703261606.db2.gz DMUNQEYMOJKAOA-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)N(C)C ZINC000997014156 703273505 /nfs/dbraw/zinc/27/35/05/703273505.db2.gz GQFAYDLDQVTNJA-KRWDZBQOSA-N 1 3 333.480 1.250 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1)N(C)C ZINC000997016253 703274923 /nfs/dbraw/zinc/27/49/23/703274923.db2.gz UFFQLGMAPOXZDE-ZWKOTPCHSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997195921 703493379 /nfs/dbraw/zinc/49/33/79/703493379.db2.gz ZZOMVLNVWFVRKD-UHFFFAOYSA-N 1 3 334.489 1.628 20 0 EDADHO CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997228345 703504130 /nfs/dbraw/zinc/50/41/30/703504130.db2.gz GMFDNJUNQCTWMT-PSPFXIJKSA-N 1 3 335.492 1.476 20 0 EDADHO Cn1nc2c(c1CNC1CC[NH+](C3CCN(C)CC3)CC1)CCC2 ZINC000921628696 703773059 /nfs/dbraw/zinc/77/30/59/703773059.db2.gz QTFRTQUFDLFVJQ-UHFFFAOYSA-N 1 3 331.508 1.557 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000997612826 703910314 /nfs/dbraw/zinc/91/03/14/703910314.db2.gz KRSUMCZRBVALSR-KRWDZBQOSA-N 1 3 331.464 1.207 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001004208157 703968400 /nfs/dbraw/zinc/96/84/00/703968400.db2.gz NNQZUZIQQDMDIJ-GOSISDBHSA-N 1 3 347.507 1.418 20 0 EDADHO CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032529443 704025705 /nfs/dbraw/zinc/02/57/05/704025705.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 1 3 347.503 1.571 20 0 EDADHO CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032529443 704025709 /nfs/dbraw/zinc/02/57/09/704025709.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 1 3 347.503 1.571 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298797 /nfs/dbraw/zinc/29/87/97/704298797.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 1 3 335.492 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298799 /nfs/dbraw/zinc/29/87/99/704298799.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 1 3 335.492 1.430 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)nn1C ZINC000997829877 704748323 /nfs/dbraw/zinc/74/83/23/704748323.db2.gz DRHYAHSRJIWDNN-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)C1CCC1 ZINC000997832132 704750285 /nfs/dbraw/zinc/75/02/85/704750285.db2.gz ZUSZWQGAUFONJQ-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000997843982 704759345 /nfs/dbraw/zinc/75/93/45/704759345.db2.gz KPVRUYXNCPHQMK-ROUUACIJSA-N 1 3 339.524 1.827 20 0 EDADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000925343273 705575938 /nfs/dbraw/zinc/57/59/38/705575938.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 1 3 338.496 1.362 20 0 EDADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CCN(C)[C@H]2C)C1 ZINC000925343273 705575940 /nfs/dbraw/zinc/57/59/40/705575940.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 1 3 338.496 1.362 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cncs3)C2)CC[N@@H+]1C ZINC000998791758 706238451 /nfs/dbraw/zinc/23/84/51/706238451.db2.gz QYCXKVHBEPJIAK-FPCDFSMTSA-N 1 3 336.505 1.952 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cncs3)C2)CC[N@H+]1C ZINC000998791758 706238454 /nfs/dbraw/zinc/23/84/54/706238454.db2.gz QYCXKVHBEPJIAK-FPCDFSMTSA-N 1 3 336.505 1.952 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999144998 706558904 /nfs/dbraw/zinc/55/89/04/706558904.db2.gz NVHPYWSRMIMVSK-RDJZCZTQSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999144998 706558907 /nfs/dbraw/zinc/55/89/07/706558907.db2.gz NVHPYWSRMIMVSK-RDJZCZTQSA-N 1 3 333.480 1.374 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567217 /nfs/dbraw/zinc/56/72/17/706567217.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 1 3 349.519 1.678 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567218 /nfs/dbraw/zinc/56/72/18/706567218.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 1 3 349.519 1.678 20 0 EDADHO Cn1nncc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999151740 706580491 /nfs/dbraw/zinc/58/04/91/706580491.db2.gz HJDBLCKRMWBYHZ-OAHLLOKOSA-N 1 3 348.495 1.160 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)CCC1 ZINC000999353888 706842730 /nfs/dbraw/zinc/84/27/30/706842730.db2.gz OHVPLIKZSDYZIX-AWEZNQCLSA-N 1 3 336.505 1.751 20 0 EDADHO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H](NCCF)C1 ZINC000999353257 706866805 /nfs/dbraw/zinc/86/68/05/706866805.db2.gz LUMCAXSXJIMZOI-HOCLYGCPSA-N 1 3 327.444 1.180 20 0 EDADHO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H](NCCF)C1 ZINC000999353257 706866808 /nfs/dbraw/zinc/86/68/08/706866808.db2.gz LUMCAXSXJIMZOI-HOCLYGCPSA-N 1 3 327.444 1.180 20 0 EDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999378339 706872555 /nfs/dbraw/zinc/87/25/55/706872555.db2.gz XXUWCHGYNBALMP-ROUUACIJSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999404189 706912887 /nfs/dbraw/zinc/91/28/87/706912887.db2.gz UADPTYYXYBQVSN-JQRITLKVSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999404189 706912890 /nfs/dbraw/zinc/91/28/90/706912890.db2.gz UADPTYYXYBQVSN-JQRITLKVSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999432585 706940304 /nfs/dbraw/zinc/94/03/04/706940304.db2.gz HUKLOLJAOCHOPI-IRXDYDNUSA-N 1 3 333.480 1.452 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000999708445 707300492 /nfs/dbraw/zinc/30/04/92/707300492.db2.gz LQSWDGSBDMZKRU-UHFFFAOYSA-N 1 3 344.459 1.265 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NCc2cccc(Cl)n2)C1 ZINC000999710005 707303587 /nfs/dbraw/zinc/30/35/87/707303587.db2.gz RDQBCIQJYAITPD-UHFFFAOYSA-N 1 3 348.878 1.910 20 0 EDADHO COC[C@H](C)N1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297755 707434097 /nfs/dbraw/zinc/43/40/97/707434097.db2.gz SYLXKAZZAXCNFU-FUHWJXTLSA-N 1 3 347.503 1.972 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000999972536 707584127 /nfs/dbraw/zinc/58/41/27/707584127.db2.gz GLGGHTZJHDRGNV-HOTGVXAUSA-N 1 3 348.495 1.316 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3n[nH]c(C)n3)C2)C1 ZINC000999972536 707584129 /nfs/dbraw/zinc/58/41/29/707584129.db2.gz GLGGHTZJHDRGNV-HOTGVXAUSA-N 1 3 348.495 1.316 20 0 EDADHO C[C@H](NCc1cncn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983830 707866996 /nfs/dbraw/zinc/86/69/96/707866996.db2.gz SGICWNWAPKICJL-DOTOQJQBSA-N 1 3 345.491 1.375 20 0 EDADHO CCc1[nH]nc(Cl)c1CN[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921733384 707921137 /nfs/dbraw/zinc/92/11/37/707921137.db2.gz NZPGQBCCPJDREU-LBPRGKRZSA-N 1 3 325.888 1.884 20 0 EDADHO Cc1noc(CCCN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582392 708265631 /nfs/dbraw/zinc/26/56/31/708265631.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 1 3 349.479 1.185 20 0 EDADHO Cc1noc(CCCN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582392 708265636 /nfs/dbraw/zinc/26/56/36/708265636.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 1 3 349.479 1.185 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033595021 708297796 /nfs/dbraw/zinc/29/77/96/708297796.db2.gz PMRRHDIANPYBPY-GJZGRUSLSA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033595021 708297799 /nfs/dbraw/zinc/29/77/99/708297799.db2.gz PMRRHDIANPYBPY-GJZGRUSLSA-N 1 3 334.464 1.647 20 0 EDADHO COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663474 708443496 /nfs/dbraw/zinc/44/34/96/708443496.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 1 3 345.487 1.988 20 0 EDADHO COc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663474 708443497 /nfs/dbraw/zinc/44/34/97/708443497.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 1 3 345.487 1.988 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043538 708534110 /nfs/dbraw/zinc/53/41/10/708534110.db2.gz RBTCRPXCDDFSQE-UHFFFAOYSA-N 1 3 345.491 1.153 20 0 EDADHO Cc1cncc(CN2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001002121131 708635061 /nfs/dbraw/zinc/63/50/61/708635061.db2.gz OJYHJSCDDAEUJR-SFHVURJKSA-N 1 3 330.476 1.670 20 0 EDADHO Cc1cncc(CN2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001002121131 708635063 /nfs/dbraw/zinc/63/50/63/708635063.db2.gz OJYHJSCDDAEUJR-SFHVURJKSA-N 1 3 330.476 1.670 20 0 EDADHO CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033830965 708852514 /nfs/dbraw/zinc/85/25/14/708852514.db2.gz QRXVAIDNTKFKFC-IEBWSBKVSA-N 1 3 349.519 1.820 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033938549 709143164 /nfs/dbraw/zinc/14/31/64/709143164.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 1 3 347.507 1.536 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033938549 709143165 /nfs/dbraw/zinc/14/31/65/709143165.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 1 3 347.507 1.536 20 0 EDADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033942358 709149253 /nfs/dbraw/zinc/14/92/53/709149253.db2.gz ZUCDGFMUCLKTSZ-QGZVFWFLSA-N 1 3 337.508 1.820 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039404 709272357 /nfs/dbraw/zinc/27/23/57/709272357.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 1 3 347.507 1.374 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCn2nc(C)cc2C)C1 ZINC001034039404 709272358 /nfs/dbraw/zinc/27/23/58/709272358.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 1 3 347.507 1.374 20 0 EDADHO CC(C)=CCN1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209689 709559423 /nfs/dbraw/zinc/55/94/23/709559423.db2.gz LAFVAIKGXJKLPR-KRWDZBQOSA-N 1 3 347.507 1.995 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321060 709771028 /nfs/dbraw/zinc/77/10/28/709771028.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 1 3 333.476 1.230 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034321060 709771031 /nfs/dbraw/zinc/77/10/31/709771031.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 1 3 333.476 1.230 20 0 EDADHO CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321994 709773505 /nfs/dbraw/zinc/77/35/05/709773505.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 1 3 347.503 1.787 20 0 EDADHO CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321994 709773509 /nfs/dbraw/zinc/77/35/09/709773509.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 1 3 347.503 1.787 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001003631178 710460415 /nfs/dbraw/zinc/46/04/15/710460415.db2.gz SIWAWLHGXAHEHK-QFBILLFUSA-N 1 3 345.487 1.844 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001003631178 710460416 /nfs/dbraw/zinc/46/04/16/710460416.db2.gz SIWAWLHGXAHEHK-QFBILLFUSA-N 1 3 345.487 1.844 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034734659 710916989 /nfs/dbraw/zinc/91/69/89/710916989.db2.gz URYPVRGVYVUMIA-XMTFNYHQSA-N 1 3 337.508 1.772 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034775496 711048751 /nfs/dbraw/zinc/04/87/51/711048751.db2.gz AYCXWHXLDXVWDW-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775496 711048757 /nfs/dbraw/zinc/04/87/57/711048757.db2.gz AYCXWHXLDXVWDW-BZUAXINKSA-N 1 3 334.464 1.842 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001003971475 711123384 /nfs/dbraw/zinc/12/33/84/711123384.db2.gz PYFMQZFBKBLWQJ-QGZVFWFLSA-N 1 3 345.487 1.988 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001003971475 711123385 /nfs/dbraw/zinc/12/33/85/711123385.db2.gz PYFMQZFBKBLWQJ-QGZVFWFLSA-N 1 3 345.487 1.988 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797139 711130714 /nfs/dbraw/zinc/13/07/14/711130714.db2.gz WVEMUAJIIAUELC-DSPLQEQRSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1csnn1 ZINC001034957248 711428296 /nfs/dbraw/zinc/42/82/96/711428296.db2.gz PBZKHMILSMJNIO-CHWSQXEVSA-N 1 3 337.493 1.664 20 0 EDADHO Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001034959127 711433408 /nfs/dbraw/zinc/43/34/08/711433408.db2.gz SJTTXWLGDDNLNQ-MSOLQXFVSA-N 1 3 330.476 1.811 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589510 /nfs/dbraw/zinc/58/95/10/712589510.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 1 3 345.487 1.511 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589511 /nfs/dbraw/zinc/58/95/11/712589511.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 1 3 345.487 1.511 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000417535928 290690928 /nfs/dbraw/zinc/69/09/28/290690928.db2.gz CMUZBKGFECBTJN-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO C[NH+](C)CCCN1C(=O)C[C@H](N2CCCc3ccccc3CC2)C1=O ZINC000560074633 306260745 /nfs/dbraw/zinc/26/07/45/306260745.db2.gz GBFJZNHGBPVROQ-SFHVURJKSA-N 1 3 343.471 1.557 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000333876572 539656150 /nfs/dbraw/zinc/65/61/50/539656150.db2.gz VKKILJGBLHODPL-ZBFHGGJFSA-N 1 3 331.526 1.414 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000342972925 539767883 /nfs/dbraw/zinc/76/78/83/539767883.db2.gz ADAKSSNILLLRIA-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000342980158 539769633 /nfs/dbraw/zinc/76/96/33/539769633.db2.gz BTTLPEJBCQAADO-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000562997115 306315010 /nfs/dbraw/zinc/31/50/10/306315010.db2.gz KWBZYPWSIHOXGJ-LJQANCHMSA-N 1 3 349.519 1.659 20 0 EDADHO CCN(CC)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412781214 304036858 /nfs/dbraw/zinc/03/68/58/304036858.db2.gz SVCKBSNQCJYNMQ-UHFFFAOYSA-N 1 3 333.476 1.472 20 0 EDADHO CCn1ccnc1CN(C(=O)[C@H](C)NC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157662 306320897 /nfs/dbraw/zinc/32/08/97/306320897.db2.gz KRPWLWQMYJLULY-HOCLYGCPSA-N 1 3 345.491 1.514 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3nc(N(C)C)n[nH]3)CC2)CC1 ZINC000563399157 306331680 /nfs/dbraw/zinc/33/16/80/306331680.db2.gz VKBGUQJJDHDOKJ-UHFFFAOYSA-N 1 3 349.483 1.006 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2NCCc3ccccc32)CCSC1 ZINC000563588403 306340159 /nfs/dbraw/zinc/34/01/59/306340159.db2.gz GRIJFDHJZKVTAR-WMZOPIPTSA-N 1 3 348.516 1.610 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410766868 283231898 /nfs/dbraw/zinc/23/18/98/283231898.db2.gz MDHNUATYMMBGIR-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000563874828 306350923 /nfs/dbraw/zinc/35/09/23/306350923.db2.gz NOMVCRLPQKGFHI-KGLIPLIRSA-N 1 3 338.477 1.173 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000351744106 283320452 /nfs/dbraw/zinc/32/04/52/283320452.db2.gz JTVWQDLILBZPNT-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321459 306358230 /nfs/dbraw/zinc/35/82/30/306358230.db2.gz KZFGMBKIUOUPND-HUUCEWRRSA-N 1 3 336.432 1.477 20 0 EDADHO NC[C@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354848 306382113 /nfs/dbraw/zinc/38/21/13/306382113.db2.gz ZWEFXLHUURBRCE-FUHWJXTLSA-N 1 3 331.460 1.620 20 0 EDADHO NC[C@H]1C[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CCCO1 ZINC000565354848 306382114 /nfs/dbraw/zinc/38/21/14/306382114.db2.gz ZWEFXLHUURBRCE-FUHWJXTLSA-N 1 3 331.460 1.620 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000417836228 296030176 /nfs/dbraw/zinc/03/01/76/296030176.db2.gz UUERAPPLCFNRKF-DYVFJYSZSA-N 1 3 336.505 1.943 20 0 EDADHO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414732370 304134220 /nfs/dbraw/zinc/13/42/20/304134220.db2.gz AAMLGWDWBUKOPK-HNNXBMFYSA-N 1 3 349.475 1.723 20 0 EDADHO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414732370 304134222 /nfs/dbraw/zinc/13/42/22/304134222.db2.gz AAMLGWDWBUKOPK-HNNXBMFYSA-N 1 3 349.475 1.723 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000414735930 304134893 /nfs/dbraw/zinc/13/48/93/304134893.db2.gz MERDKIXWAWGNLL-YOEHRIQHSA-N 1 3 344.459 1.732 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)C1 ZINC000414739005 304135152 /nfs/dbraw/zinc/13/51/52/304135152.db2.gz JNVQVXLACQXBDO-GOSISDBHSA-N 1 3 330.476 1.533 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCC1 ZINC000414743055 304136079 /nfs/dbraw/zinc/13/60/79/304136079.db2.gz UYFUIOXQSJRLKK-CQSZACIVSA-N 1 3 344.459 1.119 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)cc1 ZINC000414743206 304136137 /nfs/dbraw/zinc/13/61/37/304136137.db2.gz UNKJWFCYQUMACT-KRWDZBQOSA-N 1 3 346.475 1.581 20 0 EDADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773663 304139402 /nfs/dbraw/zinc/13/94/02/304139402.db2.gz DQRIAHJDCWCIEV-MSOLQXFVSA-N 1 3 344.507 1.050 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)c1 ZINC000414784002 304140511 /nfs/dbraw/zinc/14/05/11/304140511.db2.gz KDACDAZIVFMLKT-HNNXBMFYSA-N 1 3 346.475 1.581 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414842966 304146964 /nfs/dbraw/zinc/14/69/64/304146964.db2.gz ZWNFQODNXPYAJP-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 ZINC000414844821 304147080 /nfs/dbraw/zinc/14/70/80/304147080.db2.gz CYCAWROIRLGQLJ-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000073202925 203260145 /nfs/dbraw/zinc/26/01/45/203260145.db2.gz BKVXQSPMDVBGRB-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]CCOc2cccc(Cl)c2)C1 ZINC000415074524 304157822 /nfs/dbraw/zinc/15/78/22/304157822.db2.gz ALBXHEXFUYFKSQ-ZDUSSCGKSA-N 1 3 325.840 1.506 20 0 EDADHO COc1cc(CN2CC[C@@H](NC[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000415091361 304158587 /nfs/dbraw/zinc/15/85/87/304158587.db2.gz YZFYYOBLDYLIRD-NVXWUHKLSA-N 1 3 333.476 1.867 20 0 EDADHO COc1cccc(OCCC[NH2+]C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000415115512 304160872 /nfs/dbraw/zinc/16/08/72/304160872.db2.gz HDOIPCLOIDKMKC-OAHLLOKOSA-N 1 3 335.448 1.251 20 0 EDADHO CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C1(CO)CCCC1 ZINC000415108370 304161006 /nfs/dbraw/zinc/16/10/06/304161006.db2.gz QATIXINQAMVIDH-DOTOQJQBSA-N 1 3 325.497 1.351 20 0 EDADHO Cc1cccc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136006 304163169 /nfs/dbraw/zinc/16/31/69/304163169.db2.gz GTWHVUPOXLKMGX-ZWKOTPCHSA-N 1 3 328.460 1.715 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146095 304164700 /nfs/dbraw/zinc/16/47/00/304164700.db2.gz GCBDSHBOJFPHBQ-HZPDHXFCSA-N 1 3 330.432 1.169 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000237200085 139043694 /nfs/dbraw/zinc/04/36/94/139043694.db2.gz ZMRSABSXBPXSRK-UHFFFAOYSA-N 1 3 333.476 1.771 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000237718463 139058461 /nfs/dbraw/zinc/05/84/61/139058461.db2.gz KMADUVJPEXMIHY-GOSISDBHSA-N 1 3 330.476 1.457 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415277796 304183797 /nfs/dbraw/zinc/18/37/97/304183797.db2.gz FYNKGQZOZXILQU-AWEZNQCLSA-N 1 3 344.459 1.119 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415277796 304183798 /nfs/dbraw/zinc/18/37/98/304183798.db2.gz FYNKGQZOZXILQU-AWEZNQCLSA-N 1 3 344.459 1.119 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000246944257 139127935 /nfs/dbraw/zinc/12/79/35/139127935.db2.gz HTXNITWKJOJWGA-YESZJQIVSA-N 1 3 327.538 1.514 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000246944257 139127936 /nfs/dbraw/zinc/12/79/36/139127936.db2.gz HTXNITWKJOJWGA-YESZJQIVSA-N 1 3 327.538 1.514 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415344375 304198941 /nfs/dbraw/zinc/19/89/41/304198941.db2.gz DJAIGENIFSOOCM-HOCLYGCPSA-N 1 3 346.475 1.499 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248709347 139172624 /nfs/dbraw/zinc/17/26/24/139172624.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248709347 139172625 /nfs/dbraw/zinc/17/26/25/139172625.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248766435 139174752 /nfs/dbraw/zinc/17/47/52/139174752.db2.gz GZHUXYDMIPJBBO-FUHWJXTLSA-N 1 3 348.491 1.384 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248766435 139174753 /nfs/dbraw/zinc/17/47/53/139174753.db2.gz GZHUXYDMIPJBBO-FUHWJXTLSA-N 1 3 348.491 1.384 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000261923193 139237358 /nfs/dbraw/zinc/23/73/58/139237358.db2.gz ZSGHXHWFHZQNGX-HOTGVXAUSA-N 1 3 330.476 1.638 20 0 EDADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262030021 139245066 /nfs/dbraw/zinc/24/50/66/139245066.db2.gz BMIMDXLRULOJKI-CQSZACIVSA-N 1 3 349.450 1.641 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000262028149 139245012 /nfs/dbraw/zinc/24/50/12/139245012.db2.gz PFCOYANCGZFINH-QGZVFWFLSA-N 1 3 325.497 1.615 20 0 EDADHO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCN(CCC(C)(C)C)CC2)cn1 ZINC000262098017 139250747 /nfs/dbraw/zinc/25/07/47/139250747.db2.gz DMZOTVRJOMKMCU-SJORKVTESA-N 1 3 347.507 1.304 20 0 EDADHO c1cc(OC[C@@H]2CCCO2)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110082 139251625 /nfs/dbraw/zinc/25/16/25/139251625.db2.gz KEKLWSWIMGTDBV-ICSRJNTNSA-N 1 3 345.487 1.724 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150281 251054578 /nfs/dbraw/zinc/05/45/78/251054578.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 1 3 345.487 1.662 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150281 251054581 /nfs/dbraw/zinc/05/45/81/251054581.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 1 3 345.487 1.662 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417016813 251135270 /nfs/dbraw/zinc/13/52/70/251135270.db2.gz ITDCDIOHZFBVBH-KRWDZBQOSA-N 1 3 347.507 1.183 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417594388 251201783 /nfs/dbraw/zinc/20/17/83/251201783.db2.gz MQGGFVQYSMHMDI-PIIMJCKOSA-N 1 3 344.459 1.178 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417800585 251275357 /nfs/dbraw/zinc/27/53/57/251275357.db2.gz CDNROIQTZOUWRS-MRXNPFEDSA-N 1 3 340.512 1.646 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417803339 251276223 /nfs/dbraw/zinc/27/62/23/251276223.db2.gz FLSRYDVEXJOWJO-KRWDZBQOSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000417872700 251307694 /nfs/dbraw/zinc/30/76/94/251307694.db2.gz LDTMOMMYEMIGJJ-OWLYRPNTSA-N 1 3 328.460 1.510 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417873597 251309586 /nfs/dbraw/zinc/30/95/86/251309586.db2.gz LZWSMNCOVKIKHI-CRAIPNDOSA-N 1 3 330.476 1.682 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000418108469 251325032 /nfs/dbraw/zinc/32/50/32/251325032.db2.gz RMBSZDLMXGKUQT-SJLPKXTDSA-N 1 3 330.476 1.807 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000418113392 251326276 /nfs/dbraw/zinc/32/62/76/251326276.db2.gz JHZOXOBMPSDHJL-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)C1 ZINC000418136775 251341497 /nfs/dbraw/zinc/34/14/97/251341497.db2.gz ILDGCLKTCQSKMB-MSOLQXFVSA-N 1 3 330.476 1.900 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CNCCC2(F)F)CC[NH+](C)CC1 ZINC000418195443 251353596 /nfs/dbraw/zinc/35/35/96/251353596.db2.gz FYUQIBAKRVSYOL-LLVKDONJSA-N 1 3 336.452 1.110 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418581934 251379123 /nfs/dbraw/zinc/37/91/23/251379123.db2.gz MMCKSJYUYWJYIC-KGLIPLIRSA-N 1 3 333.436 1.192 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000418708052 251389343 /nfs/dbraw/zinc/38/93/43/251389343.db2.gz UCBRCSFIWPRJTN-NWDGAFQWSA-N 1 3 328.407 1.774 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044099 252027168 /nfs/dbraw/zinc/02/71/68/252027168.db2.gz ATOCPWVCKZOQIX-NVXWUHKLSA-N 1 3 337.489 1.834 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422913232 252019607 /nfs/dbraw/zinc/01/96/07/252019607.db2.gz POTPRRGNJNPDDM-LPHOPBHVSA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422912032 252020357 /nfs/dbraw/zinc/02/03/57/252020357.db2.gz MFCHBBGCRZSWQR-JWTNVVGKSA-N 1 3 330.476 1.351 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423799937 252080490 /nfs/dbraw/zinc/08/04/90/252080490.db2.gz KYJBVRSIPNKNRE-CABCVRRESA-N 1 3 334.468 1.053 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156781 252146815 /nfs/dbraw/zinc/14/68/15/252146815.db2.gz OUBYUZKLJWIORM-HZPDHXFCSA-N 1 3 348.495 1.587 20 0 EDADHO COC(=O)CC1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000424279946 252190815 /nfs/dbraw/zinc/19/08/15/252190815.db2.gz GPZXGYVTJYZWST-UHFFFAOYSA-N 1 3 347.459 1.409 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904119 285023151 /nfs/dbraw/zinc/02/31/51/285023151.db2.gz PDWDLNLSOXEGHG-SJORKVTESA-N 1 3 338.496 1.367 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444180960 254587051 /nfs/dbraw/zinc/58/70/51/254587051.db2.gz HQFCBBGJTBYGGZ-QUCCMNQESA-N 1 3 343.471 1.777 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCO[C@H]1C ZINC000359526523 285248834 /nfs/dbraw/zinc/24/88/34/285248834.db2.gz VHOYMHCZVQARGA-BBWFWOEESA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCO[C@H]1C ZINC000359526523 285248835 /nfs/dbraw/zinc/24/88/35/285248835.db2.gz VHOYMHCZVQARGA-BBWFWOEESA-N 1 3 325.497 1.676 20 0 EDADHO CC[NH+]1CCC(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000494197156 255241717 /nfs/dbraw/zinc/24/17/17/255241717.db2.gz CDKJHFRXHJUCEG-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCCC[C@H]1C ZINC000496178897 255361993 /nfs/dbraw/zinc/36/19/93/255361993.db2.gz OWQTVUCDDSLXAA-ZIAGYGMSSA-N 1 3 341.500 1.888 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444153 255392780 /nfs/dbraw/zinc/39/27/80/255392780.db2.gz PGHNYYLFWZBCRV-OLZOCXBDSA-N 1 3 327.473 1.498 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000264338188 139398418 /nfs/dbraw/zinc/39/84/18/139398418.db2.gz YTBDZSXWIRIFSV-KRWDZBQOSA-N 1 3 348.491 1.515 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000416182993 304294047 /nfs/dbraw/zinc/29/40/47/304294047.db2.gz WSGYXQUGEWZZQU-GOSISDBHSA-N 1 3 333.476 1.595 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000416182993 304294048 /nfs/dbraw/zinc/29/40/48/304294048.db2.gz WSGYXQUGEWZZQU-GOSISDBHSA-N 1 3 333.476 1.595 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000272297901 140432422 /nfs/dbraw/zinc/43/24/22/140432422.db2.gz QGDUGGRJDDHCSH-QZTJIDSGSA-N 1 3 344.503 1.703 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000331318443 141007182 /nfs/dbraw/zinc/00/71/82/141007182.db2.gz KDZSAJLATWNKKP-DOTOQJQBSA-N 1 3 325.497 1.601 20 0 EDADHO C[C@@H]1C[C@H](CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813342 141083803 /nfs/dbraw/zinc/08/38/03/141083803.db2.gz UCAROQCYERHGLD-BFYDXBDKSA-N 1 3 343.537 1.701 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481114 141324297 /nfs/dbraw/zinc/32/42/97/141324297.db2.gz CBXQCJMYNORVAY-YQQAZPJKSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N(C)C1CC1 ZINC000339498359 142060625 /nfs/dbraw/zinc/06/06/25/142060625.db2.gz QPILSXDDKKTBLO-GFCCVEGCSA-N 1 3 338.496 1.011 20 0 EDADHO C[C@H]([NH3+])CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000340177691 142292925 /nfs/dbraw/zinc/29/29/25/142292925.db2.gz UAPKSXVHKJHUCS-KRWDZBQOSA-N 1 3 332.492 1.438 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000340213604 142305691 /nfs/dbraw/zinc/30/56/91/142305691.db2.gz JEOPMELABFMERI-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C(F)F)CC2)CC1 ZINC000344708934 143001285 /nfs/dbraw/zinc/00/12/85/143001285.db2.gz LFIGWHJVZJJBFX-HNNXBMFYSA-N 1 3 344.450 1.984 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209066 143064677 /nfs/dbraw/zinc/06/46/77/143064677.db2.gz KKWVOZCMTYZLND-WMZOPIPTSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CCN(C)CC1 ZINC000345209066 143064678 /nfs/dbraw/zinc/06/46/78/143064678.db2.gz KKWVOZCMTYZLND-WMZOPIPTSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H](CCNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCCC1 ZINC000345647801 143116326 /nfs/dbraw/zinc/11/63/26/143116326.db2.gz YCJJDKFVAATBNG-NVXWUHKLSA-N 1 3 342.553 1.987 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345800686 143135018 /nfs/dbraw/zinc/13/50/18/143135018.db2.gz YEBGQLYTVGKEEE-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000345986207 143154248 /nfs/dbraw/zinc/15/42/48/143154248.db2.gz BMMOVFRANQGLFJ-CPUCHLNUSA-N 1 3 345.443 1.011 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)N(C)C1 ZINC000346248456 143183301 /nfs/dbraw/zinc/18/33/01/143183301.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)N(C)C1 ZINC000346248456 143183302 /nfs/dbraw/zinc/18/33/02/143183302.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 1 3 340.512 1.610 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000347043725 143275536 /nfs/dbraw/zinc/27/55/36/143275536.db2.gz LTMXDLQRTOIRBI-CABCVRRESA-N 1 3 340.512 1.212 20 0 EDADHO CCN(CCO)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347046894 143276037 /nfs/dbraw/zinc/27/60/37/143276037.db2.gz AFXSCEALLNBGPF-UHFFFAOYSA-N 1 3 328.501 1.254 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147260 143287618 /nfs/dbraw/zinc/28/76/18/143287618.db2.gz MOIVXMUTRSTJEK-CVEARBPZSA-N 1 3 325.497 1.412 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)CNC2 ZINC000347546223 143333590 /nfs/dbraw/zinc/33/35/90/143333590.db2.gz DNHMJHIAGVTSOQ-AWEZNQCLSA-N 1 3 329.444 1.521 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000347718643 143353891 /nfs/dbraw/zinc/35/38/91/143353891.db2.gz GRZCFMDGGYMRHU-INIZCTEOSA-N 1 3 348.491 1.711 20 0 EDADHO CC(=O)[C@H](NC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1)C(C)C ZINC000347936767 143381167 /nfs/dbraw/zinc/38/11/67/143381167.db2.gz UKGLQZBFTCUMPZ-IDHHARJASA-N 1 3 337.508 1.959 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000572941199 306604330 /nfs/dbraw/zinc/60/43/30/306604330.db2.gz UVWWHQWPEJZQKM-CZUORRHYSA-N 1 3 330.432 1.342 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000369765852 155166475 /nfs/dbraw/zinc/16/64/75/155166475.db2.gz IMTIFHANAPICBG-TXCZRRACSA-N 1 3 331.460 1.945 20 0 EDADHO CC[NH2+]CCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416855531 304352089 /nfs/dbraw/zinc/35/20/89/304352089.db2.gz QFSNIABDSZYMDQ-QGZVFWFLSA-N 1 3 334.464 1.741 20 0 EDADHO CCC[C@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352757877 149152400 /nfs/dbraw/zinc/15/24/00/149152400.db2.gz LIGRDOXSIGDSPV-SFHVURJKSA-N 1 3 340.512 1.395 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353106539 149288695 /nfs/dbraw/zinc/28/86/95/149288695.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 1 3 338.496 1.364 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353106539 149288697 /nfs/dbraw/zinc/28/86/97/149288697.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@H]1C[NH3+] ZINC000416963688 304355942 /nfs/dbraw/zinc/35/59/42/304355942.db2.gz BLOUKFRRORGDHB-NVXWUHKLSA-N 1 3 348.491 1.753 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000416963690 304356101 /nfs/dbraw/zinc/35/61/01/304356101.db2.gz BLOUKFRRORGDHB-WBVHZDCISA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416968486 304357085 /nfs/dbraw/zinc/35/70/85/304357085.db2.gz JDPWJZWYEHOBRW-WMZOPIPTSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416971654 304357864 /nfs/dbraw/zinc/35/78/64/304357864.db2.gz QJNIDTSURRTAMJ-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416973499 304358485 /nfs/dbraw/zinc/35/84/85/304358485.db2.gz VDOURWAXIOOLRE-GDBMZVCRSA-N 1 3 334.464 1.506 20 0 EDADHO CC1CCN(CCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417027436 304362090 /nfs/dbraw/zinc/36/20/90/304362090.db2.gz ZTCSYSUCYMYIAV-UHFFFAOYSA-N 1 3 332.492 1.931 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355482547 150287414 /nfs/dbraw/zinc/28/74/14/150287414.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000355482547 150287418 /nfs/dbraw/zinc/28/74/18/150287418.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000357372899 151010699 /nfs/dbraw/zinc/01/06/99/151010699.db2.gz KHUFHVLLTHWTMM-LBPRGKRZSA-N 1 3 325.403 1.711 20 0 EDADHO CSC1(CNC(=O)NCC2([NH+](C)C)CCCC2)CCN(C)CC1 ZINC000357970636 151215792 /nfs/dbraw/zinc/21/57/92/151215792.db2.gz GDYBAOZCMPINPC-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000358092028 151266771 /nfs/dbraw/zinc/26/67/71/151266771.db2.gz JHWCETBLAVSQJD-OAHLLOKOSA-N 1 3 338.496 1.437 20 0 EDADHO CC(C)(CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417090784 304371638 /nfs/dbraw/zinc/37/16/38/304371638.db2.gz YOUSZPPAPLSKNI-HDICACEKSA-N 1 3 342.487 1.684 20 0 EDADHO COCC1(CNC(=O)[C@@H](C(C)C)N2CCCCC2)CC[NH2+]CC1 ZINC000262078394 292243976 /nfs/dbraw/zinc/24/39/76/292243976.db2.gz SVWOMIDBYQWSOM-MRXNPFEDSA-N 1 3 325.497 1.629 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417103320 304372655 /nfs/dbraw/zinc/37/26/55/304372655.db2.gz CWEBWTAFUATBIO-FGTMMUONSA-N 1 3 328.460 1.512 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417138647 304376679 /nfs/dbraw/zinc/37/66/79/304376679.db2.gz OSTDVNPEGAQWMW-SJORKVTESA-N 1 3 331.464 1.487 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000417138647 304376680 /nfs/dbraw/zinc/37/66/80/304376680.db2.gz OSTDVNPEGAQWMW-SJORKVTESA-N 1 3 331.464 1.487 20 0 EDADHO CSC1(CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCN(C)CC1 ZINC000360698177 152158720 /nfs/dbraw/zinc/15/87/20/152158720.db2.gz VMINDQALQBMFPQ-AWEZNQCLSA-N 1 3 328.526 1.407 20 0 EDADHO CSC1(CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCN(C)CC1 ZINC000360698177 152158723 /nfs/dbraw/zinc/15/87/23/152158723.db2.gz VMINDQALQBMFPQ-AWEZNQCLSA-N 1 3 328.526 1.407 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000361080080 152296912 /nfs/dbraw/zinc/29/69/12/152296912.db2.gz MYHAZIVBQASBSX-NSHDSACASA-N 1 3 327.388 1.221 20 0 EDADHO COc1ccc(C[C@H](C)CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000352699596 286314834 /nfs/dbraw/zinc/31/48/34/286314834.db2.gz BDGFZDKGTQSYKU-DOTOQJQBSA-N 1 3 335.467 1.992 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417159778 304379202 /nfs/dbraw/zinc/37/92/02/304379202.db2.gz XOGMJVQHAOSNHA-INIZCTEOSA-N 1 3 333.480 1.235 20 0 EDADHO C[NH2+]CC1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417176113 304380769 /nfs/dbraw/zinc/38/07/69/304380769.db2.gz BVJCIUOELPMZOT-SFHVURJKSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000364145162 153154894 /nfs/dbraw/zinc/15/48/94/153154894.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 1 3 345.491 1.810 20 0 EDADHO CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000364145162 153154898 /nfs/dbraw/zinc/15/48/98/153154898.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 1 3 345.491 1.810 20 0 EDADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1NC(C)=O ZINC000268990034 286369392 /nfs/dbraw/zinc/36/93/92/286369392.db2.gz MFITUXFDDZXWOK-ZDUSSCGKSA-N 1 3 335.448 1.761 20 0 EDADHO COC[C@]1(CNC(=O)NCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233095 304386707 /nfs/dbraw/zinc/38/67/07/304386707.db2.gz RKGUEUMIWGMOAW-GOSISDBHSA-N 1 3 334.464 1.186 20 0 EDADHO CCn1nccc1CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000367125579 154015944 /nfs/dbraw/zinc/01/59/44/154015944.db2.gz GNOAYDNAHQUFEJ-UHFFFAOYSA-N 1 3 333.524 1.795 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367188179 154034666 /nfs/dbraw/zinc/03/46/66/154034666.db2.gz UHENNZOWOZJBLG-HCXYKTFWSA-N 1 3 343.471 1.502 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)[C@H](N)C3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367188179 154034668 /nfs/dbraw/zinc/03/46/68/154034668.db2.gz UHENNZOWOZJBLG-HCXYKTFWSA-N 1 3 343.471 1.502 20 0 EDADHO OC[C@]1(F)CCCN(CCCCC[N@@H+]2CCC[C@@](F)(CO)C2)C1 ZINC000367867173 154304780 /nfs/dbraw/zinc/30/47/80/154304780.db2.gz XGBXPZKPNVCUQL-IRXDYDNUSA-N 1 3 334.451 1.750 20 0 EDADHO OC[C@]1(F)CCCN(CCCCC[N@H+]2CCC[C@@](F)(CO)C2)C1 ZINC000367867173 154304783 /nfs/dbraw/zinc/30/47/83/154304783.db2.gz XGBXPZKPNVCUQL-IRXDYDNUSA-N 1 3 334.451 1.750 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N2CCCC2)cc1 ZINC000417352606 304394058 /nfs/dbraw/zinc/39/40/58/304394058.db2.gz GNBJTEOJXLBKKA-OTWHNJEPSA-N 1 3 342.487 1.993 20 0 EDADHO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000371818528 156121417 /nfs/dbraw/zinc/12/14/17/156121417.db2.gz IBAQSTKRYYZLLY-QGZVFWFLSA-N 1 3 330.476 1.752 20 0 EDADHO CC[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000371818528 156121422 /nfs/dbraw/zinc/12/14/22/156121422.db2.gz IBAQSTKRYYZLLY-QGZVFWFLSA-N 1 3 330.476 1.752 20 0 EDADHO CCC[C@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)N(C)C ZINC000374258352 157218413 /nfs/dbraw/zinc/21/84/13/157218413.db2.gz VGGADLSYKOMJTA-QGZVFWFLSA-N 1 3 335.496 1.536 20 0 EDADHO CCSCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000374493216 157307261 /nfs/dbraw/zinc/30/72/61/157307261.db2.gz VUKQENZRARUHFP-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000352141039 162009069 /nfs/dbraw/zinc/00/90/69/162009069.db2.gz PWVKYGQMUNPACW-HOCLYGCPSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000352155602 162017241 /nfs/dbraw/zinc/01/72/41/162017241.db2.gz VMKLDKSLNHJVQH-PBHICJAKSA-N 1 3 342.553 1.795 20 0 EDADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418186394 304461947 /nfs/dbraw/zinc/46/19/47/304461947.db2.gz RUWVMNQLEWFWLB-FUHWJXTLSA-N 1 3 347.507 1.191 20 0 EDADHO CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418237612 304468333 /nfs/dbraw/zinc/46/83/33/304468333.db2.gz VYGUNSKRYHVTOH-CZUORRHYSA-N 1 3 336.505 1.920 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811105 287265031 /nfs/dbraw/zinc/26/50/31/287265031.db2.gz WWGPRDPKTAFEPA-AEFFLSMTSA-N 1 3 342.528 1.764 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000074065308 287267466 /nfs/dbraw/zinc/26/74/66/287267466.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 1 3 341.544 1.290 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000074065308 287267467 /nfs/dbraw/zinc/26/74/67/287267467.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 1 3 341.544 1.290 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000168878016 226225140 /nfs/dbraw/zinc/22/51/40/226225140.db2.gz BVLOLIMFQIYVEQ-OAHLLOKOSA-N 1 3 325.522 1.854 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331139 /nfs/dbraw/zinc/33/11/39/452331139.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 1 3 341.544 1.383 20 0 EDADHO CCC[C@@]1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCOC1 ZINC000665762375 452339715 /nfs/dbraw/zinc/33/97/15/452339715.db2.gz BXRMSYUEDNEZGQ-DOTOQJQBSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[C@@]1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCOC1 ZINC000665762375 452339725 /nfs/dbraw/zinc/33/97/25/452339725.db2.gz BXRMSYUEDNEZGQ-DOTOQJQBSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](C)(O)CC1 ZINC000665762483 452341394 /nfs/dbraw/zinc/34/13/94/452341394.db2.gz FYWOFCWORUNPIP-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](C)(O)CC1 ZINC000665762483 452341402 /nfs/dbraw/zinc/34/14/02/452341402.db2.gz FYWOFCWORUNPIP-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000418462229 304498041 /nfs/dbraw/zinc/49/80/41/304498041.db2.gz JUBGKBDSSHIEMB-QGZVFWFLSA-N 1 3 339.528 1.173 20 0 EDADHO CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000665763681 452350433 /nfs/dbraw/zinc/35/04/33/452350433.db2.gz IWAPEPJOKAETNL-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000665763681 452350441 /nfs/dbraw/zinc/35/04/41/452350441.db2.gz IWAPEPJOKAETNL-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COCC1CCN(CCOCC[NH+]2CCC(COC)CC2)CC1 ZINC000178700904 267581565 /nfs/dbraw/zinc/58/15/65/267581565.db2.gz FQTXGZDAAALGPU-UHFFFAOYSA-N 1 3 328.497 1.720 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236996178 267923236 /nfs/dbraw/zinc/92/32/36/267923236.db2.gz FZEBJMWTTASYDJ-MRXNPFEDSA-N 1 3 330.476 1.558 20 0 EDADHO OC[C@H](NCCOCC[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000273046092 273025748 /nfs/dbraw/zinc/02/57/48/273025748.db2.gz DPYYLRRMCYMEAW-PMACEKPBSA-N 1 3 344.455 1.649 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000274639759 268174218 /nfs/dbraw/zinc/17/42/18/268174218.db2.gz TWQRCEWTTLPZMD-FQEVSTJZSA-N 1 3 344.503 1.582 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275932553 268384694 /nfs/dbraw/zinc/38/46/94/268384694.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 1 3 330.476 1.989 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275932553 268384696 /nfs/dbraw/zinc/38/46/96/268384696.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 1 3 330.476 1.989 20 0 EDADHO Cc1cccc2[nH]cc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c21 ZINC000103535142 272919145 /nfs/dbraw/zinc/91/91/45/272919145.db2.gz GJCYIXDRJRGXHS-UHFFFAOYSA-N 1 3 330.476 1.971 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000237191088 273962941 /nfs/dbraw/zinc/96/29/41/273962941.db2.gz OESSTKUWWFLVIA-QGZVFWFLSA-N 1 3 332.492 1.561 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc2cncn2c1 ZINC000284318719 274159159 /nfs/dbraw/zinc/15/91/59/274159159.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 1 3 329.448 1.432 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc2cncn2c1 ZINC000284318719 274159160 /nfs/dbraw/zinc/15/91/60/274159160.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 1 3 329.448 1.432 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc2cncn2c1 ZINC000284318719 274159162 /nfs/dbraw/zinc/15/91/62/274159162.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 1 3 329.448 1.432 20 0 EDADHO CC[C@H](C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1)N(C)C ZINC000372064621 276543086 /nfs/dbraw/zinc/54/30/86/276543086.db2.gz GTRIEKNMUPOEAY-GOSISDBHSA-N 1 3 338.540 1.639 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069071 /nfs/dbraw/zinc/06/90/71/277069071.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 1 3 329.510 1.074 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069072 /nfs/dbraw/zinc/06/90/72/277069072.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 1 3 329.510 1.074 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)[C@@H]1C ZINC000373395218 277326440 /nfs/dbraw/zinc/32/64/40/277326440.db2.gz PYYGLXADNMVYAZ-HPFXQQBRSA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359541775 277397317 /nfs/dbraw/zinc/39/73/17/277397317.db2.gz LDIPJQRYRTXBFS-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000359541775 277397320 /nfs/dbraw/zinc/39/73/20/277397320.db2.gz LDIPJQRYRTXBFS-INIZCTEOSA-N 1 3 340.512 1.022 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349914571 279109587 /nfs/dbraw/zinc/10/95/87/279109587.db2.gz TVMHSEVHKJLVSO-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417882730 288117138 /nfs/dbraw/zinc/11/71/38/288117138.db2.gz VJMYCTIJXGUYFG-XOKHGSTOSA-N 1 3 334.508 1.889 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000287255381 288193324 /nfs/dbraw/zinc/19/33/24/288193324.db2.gz CVGFTNZPXHBINW-HNNXBMFYSA-N 1 3 336.480 1.419 20 0 EDADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353549537 280931653 /nfs/dbraw/zinc/93/16/53/280931653.db2.gz FKYOKTQSBWWWPS-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NC1CCN(C2CC2)CC1 ZINC000347320811 288983800 /nfs/dbraw/zinc/98/38/00/288983800.db2.gz TXGRINCFMVQXAM-QAPCUYQASA-N 1 3 334.508 1.288 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292262837 289300670 /nfs/dbraw/zinc/30/06/70/289300670.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 1 3 347.459 1.412 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292262837 289300674 /nfs/dbraw/zinc/30/06/74/289300674.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 1 3 347.459 1.412 20 0 EDADHO CCC[C@@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)N(C)C ZINC000422008605 447305781 /nfs/dbraw/zinc/30/57/81/447305781.db2.gz AETSVZLAJBVYRJ-SFHVURJKSA-N 1 3 338.540 1.735 20 0 EDADHO CSC1(CN[C@H](Cc2ccc(F)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000357299969 295583368 /nfs/dbraw/zinc/58/33/68/295583368.db2.gz PKZKOJMILYTRPB-OAHLLOKOSA-N 1 3 339.480 1.639 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000418840955 304539547 /nfs/dbraw/zinc/53/95/47/304539547.db2.gz FTFWTYXEZGKCII-IAGOWNOFSA-N 1 3 346.475 1.006 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000262854424 304577725 /nfs/dbraw/zinc/57/77/25/304577725.db2.gz SQYLQTBAFDRIDB-CVEARBPZSA-N 1 3 331.464 1.508 20 0 EDADHO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000419823587 304690842 /nfs/dbraw/zinc/69/08/42/304690842.db2.gz OURYXQYQKYHHGQ-PKOBYXMFSA-N 1 3 335.492 1.440 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419658739 447327262 /nfs/dbraw/zinc/32/72/62/447327262.db2.gz YTZSXSUDNGLEAS-CABCVRRESA-N 1 3 348.491 1.204 20 0 EDADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000298574206 303535038 /nfs/dbraw/zinc/53/50/38/303535038.db2.gz XHQQWXHGFUMXBX-LJQANCHMSA-N 1 3 332.492 1.997 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377743303 447331724 /nfs/dbraw/zinc/33/17/24/447331724.db2.gz IUDGVRSILINNQQ-RBUKOAKNSA-N 1 3 345.487 1.879 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458382307 447338317 /nfs/dbraw/zinc/33/83/17/447338317.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458382307 447338320 /nfs/dbraw/zinc/33/83/20/447338320.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000414892147 447346201 /nfs/dbraw/zinc/34/62/01/447346201.db2.gz WOCODWBFMGXMRU-ZDUSSCGKSA-N 1 3 330.379 1.731 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970423 304881833 /nfs/dbraw/zinc/88/18/33/304881833.db2.gz WOAFYIYDLOFXKC-OPQOLIRYSA-N 1 3 337.508 1.913 20 0 EDADHO CCC1(CC)[C@@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1OC ZINC000429288529 305027740 /nfs/dbraw/zinc/02/77/40/305027740.db2.gz WLQHXAVOVQJCJH-IRXDYDNUSA-N 1 3 337.508 1.913 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000430612314 305058896 /nfs/dbraw/zinc/05/88/96/305058896.db2.gz RSMJHWSJTWJMCW-UHFFFAOYSA-N 1 3 338.839 1.451 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CCNCC1 ZINC000430612314 305058897 /nfs/dbraw/zinc/05/88/97/305058897.db2.gz RSMJHWSJTWJMCW-UHFFFAOYSA-N 1 3 338.839 1.451 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CCNCC1 ZINC000430612314 305058898 /nfs/dbraw/zinc/05/88/98/305058898.db2.gz RSMJHWSJTWJMCW-UHFFFAOYSA-N 1 3 338.839 1.451 20 0 EDADHO COCC[C@@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842586 305065714 /nfs/dbraw/zinc/06/57/14/305065714.db2.gz USUXCHLLTZCIGO-HKUYNNGSSA-N 1 3 331.460 1.393 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000433126636 305101216 /nfs/dbraw/zinc/10/12/16/305101216.db2.gz DGQJSGOVPXWKLX-UHFFFAOYSA-N 1 3 333.480 1.081 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCO[C@H]2C)CC1 ZINC000433204146 305102859 /nfs/dbraw/zinc/10/28/59/305102859.db2.gz FDECNRNQMDSSPH-FXAWDEMLSA-N 1 3 347.503 1.848 20 0 EDADHO Cn1ccnc1CN(C(=O)C1CCN(C)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565348 305142631 /nfs/dbraw/zinc/14/26/31/305142631.db2.gz GNYUSFCBURRWMM-MRXNPFEDSA-N 1 3 345.491 1.233 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000438828014 305189550 /nfs/dbraw/zinc/18/95/50/305189550.db2.gz FEWHOVUAGXFDAV-GOSISDBHSA-N 1 3 343.475 1.803 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000439214165 305195461 /nfs/dbraw/zinc/19/54/61/305195461.db2.gz NEXJVTUGBOMFGM-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000444377671 305247684 /nfs/dbraw/zinc/24/76/84/305247684.db2.gz XKFDGHQFLQSDCT-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000444377671 305247685 /nfs/dbraw/zinc/24/76/85/305247685.db2.gz XKFDGHQFLQSDCT-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446619503 305268095 /nfs/dbraw/zinc/26/80/95/305268095.db2.gz GODRGUJDJMZLCY-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448212354 305293947 /nfs/dbraw/zinc/29/39/47/305293947.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 1 3 332.492 1.881 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448212354 305293948 /nfs/dbraw/zinc/29/39/48/305293948.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 1 3 332.492 1.881 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000448214898 305293956 /nfs/dbraw/zinc/29/39/56/305293956.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000448214898 305293957 /nfs/dbraw/zinc/29/39/57/305293957.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 1 3 340.512 1.374 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449116958 305307251 /nfs/dbraw/zinc/30/72/51/305307251.db2.gz RYKZFKZNJPBNCP-OWCLPIDISA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451410119 305344408 /nfs/dbraw/zinc/34/44/08/305344408.db2.gz BKSZIPHUPFVJDP-KSZLIROESA-N 1 3 337.508 1.601 20 0 EDADHO O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000451609661 305356173 /nfs/dbraw/zinc/35/61/73/305356173.db2.gz NWJVXTBFUDTIMK-PKOBYXMFSA-N 1 3 335.492 1.116 20 0 EDADHO COc1cnccc1N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000487580531 305551350 /nfs/dbraw/zinc/55/13/50/305551350.db2.gz ZOYBGFDLGMQVKJ-UHFFFAOYSA-N 1 3 332.448 1.471 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000492882121 305606322 /nfs/dbraw/zinc/60/63/22/305606322.db2.gz SOMOYXVDOGBTMR-PLNGDYQASA-N 1 3 331.460 1.894 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000515223154 305717328 /nfs/dbraw/zinc/71/73/28/305717328.db2.gz IKSLDTRIMXSCIS-CABCVRRESA-N 1 3 347.463 1.310 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C(C)(C)C ZINC000458422233 447358433 /nfs/dbraw/zinc/35/84/33/447358433.db2.gz UBVXYQIGVHLXTJ-CVEARBPZSA-N 1 3 342.528 1.499 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000520818627 305783438 /nfs/dbraw/zinc/78/34/38/305783438.db2.gz VQMZVQPXPSATQN-OAHLLOKOSA-N 1 3 325.522 1.996 20 0 EDADHO COc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1O ZINC000524932047 305821131 /nfs/dbraw/zinc/82/11/31/305821131.db2.gz RSHMXDDDYWAIRM-UHFFFAOYSA-N 1 3 338.452 1.036 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1 ZINC000414940056 447365431 /nfs/dbraw/zinc/36/54/31/447365431.db2.gz GXAQITUEMVKHPL-XJKSGUPXSA-N 1 3 332.448 1.143 20 0 EDADHO CCOc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000530641390 305944382 /nfs/dbraw/zinc/94/43/82/305944382.db2.gz HGRDHNWMQXHCES-UHFFFAOYSA-N 1 3 337.464 1.659 20 0 EDADHO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896826 306049374 /nfs/dbraw/zinc/04/93/74/306049374.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 1 3 343.471 1.390 20 0 EDADHO C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896826 306049375 /nfs/dbraw/zinc/04/93/75/306049375.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 1 3 343.471 1.390 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2c(=O)n1C ZINC000552005061 306173307 /nfs/dbraw/zinc/17/33/07/306173307.db2.gz PCCGBHXCQSCSBL-UHFFFAOYSA-N 1 3 344.459 1.104 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000557214053 306226540 /nfs/dbraw/zinc/22/65/40/306226540.db2.gz QLSRBKMKBGDDQX-UHFFFAOYSA-N 1 3 327.517 1.090 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414951763 447370245 /nfs/dbraw/zinc/37/02/45/447370245.db2.gz QBTHOXZNQYVSPU-HOCLYGCPSA-N 1 3 330.432 1.217 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422146292 447372469 /nfs/dbraw/zinc/37/24/69/447372469.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422146292 447372472 /nfs/dbraw/zinc/37/24/72/447372472.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO O[C@H](CN1CCOCC1)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735363 441286420 /nfs/dbraw/zinc/28/64/20/441286420.db2.gz GTNPZGLYKOWLQL-IBGZPJMESA-N 1 3 339.524 1.268 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)s1 ZINC000090582416 441636847 /nfs/dbraw/zinc/63/68/47/441636847.db2.gz SPKCGVHEKPPAIU-SCRDCRAPSA-N 1 3 345.534 1.653 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115677123 441768727 /nfs/dbraw/zinc/76/87/27/441768727.db2.gz CPDZLORZQLQWEW-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO O=C(CCNC1CC[NH+](CCc2ccccc2)CC1)N1CCOCC1 ZINC000159227633 441796026 /nfs/dbraw/zinc/79/60/26/441796026.db2.gz SCLQOVLIXAZABM-UHFFFAOYSA-N 1 3 345.487 1.532 20 0 EDADHO CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000116245580 441805009 /nfs/dbraw/zinc/80/50/09/441805009.db2.gz RNVRAGBOGCGQHA-RYQLBKOJSA-N 1 3 332.492 1.994 20 0 EDADHO NC(=O)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173954798 441868138 /nfs/dbraw/zinc/86/81/38/441868138.db2.gz FTYYPKOTOPVMGQ-UHFFFAOYSA-N 1 3 331.460 1.862 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NCC1CCN(CCO)CC1)C(C)(C)C ZINC000116549476 441828672 /nfs/dbraw/zinc/82/86/72/441828672.db2.gz ZXXACBGJCIPFGO-INIZCTEOSA-N 1 3 342.528 1.356 20 0 EDADHO C[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000124315526 441915916 /nfs/dbraw/zinc/91/59/16/441915916.db2.gz GQVMODWHOVKHJK-INIZCTEOSA-N 1 3 348.491 1.903 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899450 441899336 /nfs/dbraw/zinc/89/93/36/441899336.db2.gz AWGRNSSDDYHYFA-INIZCTEOSA-N 1 3 332.492 1.642 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899450 441899340 /nfs/dbraw/zinc/89/93/40/441899340.db2.gz AWGRNSSDDYHYFA-INIZCTEOSA-N 1 3 332.492 1.642 20 0 EDADHO C[C@H](C(=O)Nc1nccs1)N(C)CCCN1CCN(C)CC1 ZINC000174721940 441959346 /nfs/dbraw/zinc/95/93/46/441959346.db2.gz CMKAESUEQAUMEI-CYBMUJFWSA-N 1 3 325.482 1.039 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCCN(C)CC2)C[C@@H]1C ZINC000161672869 442022549 /nfs/dbraw/zinc/02/25/49/442022549.db2.gz KCEHPMXVHRNVRZ-RCCFBDPRSA-N 1 3 339.524 1.972 20 0 EDADHO C[C@@H](Cn1cc(Br)cn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151294677 442039072 /nfs/dbraw/zinc/03/90/72/442039072.db2.gz QIIMCBKCWRTCBP-GXTWGEPZSA-N 1 3 345.285 1.471 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458670216 447447253 /nfs/dbraw/zinc/44/72/53/447447253.db2.gz XDALCIFPBQIFTE-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000166708820 442217683 /nfs/dbraw/zinc/21/76/83/442217683.db2.gz WSOIZRHDWRGYSX-INIZCTEOSA-N 1 3 349.500 1.861 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000168097663 442223116 /nfs/dbraw/zinc/22/31/16/442223116.db2.gz WDUZDQXTORUDPY-CRAIPNDOSA-N 1 3 333.476 1.404 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177095965 442296116 /nfs/dbraw/zinc/29/61/16/442296116.db2.gz KYWXOMFULVNNPN-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000177164663 442308083 /nfs/dbraw/zinc/30/80/83/442308083.db2.gz CXWWOVQLYCLUHR-NSHDSACASA-N 1 3 338.374 1.038 20 0 EDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000177164663 442308085 /nfs/dbraw/zinc/30/80/85/442308085.db2.gz CXWWOVQLYCLUHR-NSHDSACASA-N 1 3 338.374 1.038 20 0 EDADHO Cc1cncc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000134111202 442451202 /nfs/dbraw/zinc/45/12/02/442451202.db2.gz BJAOWYWQJRSDGA-UHFFFAOYSA-N 1 3 345.491 1.748 20 0 EDADHO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179465288 442460762 /nfs/dbraw/zinc/46/07/62/442460762.db2.gz RMHSDMIICDOAOU-MSOLQXFVSA-N 1 3 348.491 1.651 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000186693843 442593543 /nfs/dbraw/zinc/59/35/43/442593543.db2.gz INANFKSARADLML-IRXDYDNUSA-N 1 3 338.496 1.148 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000183224883 442907283 /nfs/dbraw/zinc/90/72/83/442907283.db2.gz NJQJIUVMVNEGGU-JKSUJKDBSA-N 1 3 334.464 1.625 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000265789923 442922198 /nfs/dbraw/zinc/92/21/98/442922198.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 1 3 344.503 1.602 20 0 EDADHO CC[N@H+]1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000265789923 442922200 /nfs/dbraw/zinc/92/22/00/442922200.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 1 3 344.503 1.602 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCOCC1 ZINC000184742591 443070303 /nfs/dbraw/zinc/07/03/03/443070303.db2.gz DSHYEVROWIAEON-XEWABKELSA-N 1 3 345.487 1.591 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237940010 443189644 /nfs/dbraw/zinc/18/96/44/443189644.db2.gz VWLRKTTUPDNQTK-LJQANCHMSA-N 1 3 344.503 1.929 20 0 EDADHO COC(=O)[C@]1(C)CC[N@@H+](CC[C@H](C)N2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704182 443245782 /nfs/dbraw/zinc/24/57/82/443245782.db2.gz WQLCBOSFAFBAPO-QGTPRVQTSA-N 1 3 340.464 1.535 20 0 EDADHO COC(=O)[C@]1(C)CC[N@H+](CC[C@H](C)N2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704182 443245784 /nfs/dbraw/zinc/24/57/84/443245784.db2.gz WQLCBOSFAFBAPO-QGTPRVQTSA-N 1 3 340.464 1.535 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475948 319109478 /nfs/dbraw/zinc/10/94/78/319109478.db2.gz QHQSJORZNQJTCS-INIZCTEOSA-N 1 3 348.491 1.863 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411689712 319195859 /nfs/dbraw/zinc/19/58/59/319195859.db2.gz GDZJZUYVVZQSIJ-ICSRJNTNSA-N 1 3 344.503 1.622 20 0 EDADHO COc1ccccc1C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414670684 319338927 /nfs/dbraw/zinc/33/89/27/319338927.db2.gz DREUVRJBPGLWTP-OAHLLOKOSA-N 1 3 331.460 1.857 20 0 EDADHO COc1ccccc1C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000414670684 319338928 /nfs/dbraw/zinc/33/89/28/319338928.db2.gz DREUVRJBPGLWTP-OAHLLOKOSA-N 1 3 331.460 1.857 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C ZINC000414685127 319342198 /nfs/dbraw/zinc/34/21/98/319342198.db2.gz YBBATGPXDHYGCQ-INIZCTEOSA-N 1 3 348.491 1.827 20 0 EDADHO COc1cccc(C[C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992637 319344174 /nfs/dbraw/zinc/34/41/74/319344174.db2.gz TYOGAFLVJXJXHQ-JSGCOSHPSA-N 1 3 346.397 1.447 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1CN(C)C ZINC000415852780 319377902 /nfs/dbraw/zinc/37/79/02/319377902.db2.gz RPSYUFWZDLXFQD-CZUORRHYSA-N 1 3 346.475 1.438 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415871625 319380044 /nfs/dbraw/zinc/38/00/44/319380044.db2.gz QQRKUTSKTXLISQ-CVEARBPZSA-N 1 3 344.459 1.063 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000415974843 319386645 /nfs/dbraw/zinc/38/66/45/319386645.db2.gz RPYHKVZPOMSYIN-OAHLLOKOSA-N 1 3 333.480 1.411 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000269279561 443264066 /nfs/dbraw/zinc/26/40/66/443264066.db2.gz ZJSQHOCIZLIKBT-IRXDYDNUSA-N 1 3 333.476 1.803 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[NH2+]C)c1cccc(OC)c1 ZINC000416930095 319477195 /nfs/dbraw/zinc/47/71/95/319477195.db2.gz XOHRFTNRKXROHH-WMLDXEAASA-N 1 3 336.480 1.985 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417371153 319495173 /nfs/dbraw/zinc/49/51/73/319495173.db2.gz VFEMOJWOTAZGQG-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO C[C@H](NCCNC(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422957221 319742222 /nfs/dbraw/zinc/74/22/22/319742222.db2.gz SQLPQYPIYWBBOP-WCQYABFASA-N 1 3 340.265 1.767 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000272957517 443501772 /nfs/dbraw/zinc/50/17/72/443501772.db2.gz NHXLQSSQNTYLPS-LJQANCHMSA-N 1 3 333.476 1.818 20 0 EDADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000449748039 320204368 /nfs/dbraw/zinc/20/43/68/320204368.db2.gz AJWNPVVKYHKANL-KRWDZBQOSA-N 1 3 330.476 1.455 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457744757 320334669 /nfs/dbraw/zinc/33/46/69/320334669.db2.gz PMKJCNHJVJCMGS-MRXNPFEDSA-N 1 3 336.524 1.393 20 0 EDADHO NCc1cc(NC(=O)c2cn(CCC[NH3+])nn2)cc(C(F)(F)F)c1 ZINC000519649980 320469732 /nfs/dbraw/zinc/46/97/32/320469732.db2.gz ZMTXFDUZBLFWSI-UHFFFAOYSA-N 1 3 342.325 1.357 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000280844087 443756724 /nfs/dbraw/zinc/75/67/24/443756724.db2.gz MFXUHMQMEBBZLN-RYQLBKOJSA-N 1 3 336.476 1.923 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280930674 443777664 /nfs/dbraw/zinc/77/76/64/443777664.db2.gz VBASQTQPUNSPPH-XLIONFOSSA-N 1 3 345.487 1.675 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000562995040 321086773 /nfs/dbraw/zinc/08/67/73/321086773.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995040 321086775 /nfs/dbraw/zinc/08/67/75/321086775.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H](CN1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995040 321086776 /nfs/dbraw/zinc/08/67/76/321086776.db2.gz GXXSBTILVVQVDM-YLJYHZDGSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000563714836 321113108 /nfs/dbraw/zinc/11/31/08/321113108.db2.gz MTPGWYAFESHGOH-MAUKXSAKSA-N 1 3 331.460 1.211 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116712 321217286 /nfs/dbraw/zinc/21/72/86/321217286.db2.gz KKQKUOFHYNZFOI-FUHWJXTLSA-N 1 3 334.460 1.517 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](COC)C3CC3)CC2)CC1 ZINC000568765202 321305531 /nfs/dbraw/zinc/30/55/31/321305531.db2.gz VNRIJJCQWMUTOU-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000571326627 321382916 /nfs/dbraw/zinc/38/29/16/321382916.db2.gz IOXAMRNBUGLVQN-HZPDHXFCSA-N 1 3 340.439 1.248 20 0 EDADHO CN(C(=O)NC[C@@H]1CCC[NH2+]1)C1CCN(CCc2ccccn2)CC1 ZINC000572104671 321414956 /nfs/dbraw/zinc/41/49/56/321414956.db2.gz NNDJGTWFYHUWOJ-KRWDZBQOSA-N 1 3 345.491 1.482 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000295213991 444171647 /nfs/dbraw/zinc/17/16/47/444171647.db2.gz QGZVIJLQGMZXAJ-CQSZACIVSA-N 1 3 349.450 1.926 20 0 EDADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292405 /nfs/dbraw/zinc/29/24/05/444292405.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 1 3 331.504 1.943 20 0 EDADHO Cc1nccn1CCC[N@@H+](C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000290570337 444296308 /nfs/dbraw/zinc/29/63/08/444296308.db2.gz TVICZIKOMOCZEF-UHFFFAOYSA-N 1 3 343.479 1.255 20 0 EDADHO Cc1nccn1CCC[N@H+](C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000290570337 444296311 /nfs/dbraw/zinc/29/63/11/444296311.db2.gz TVICZIKOMOCZEF-UHFFFAOYSA-N 1 3 343.479 1.255 20 0 EDADHO [NH3+]C[C@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000580882248 322107108 /nfs/dbraw/zinc/10/71/08/322107108.db2.gz HBTIDVKJOVYHKF-HNNXBMFYSA-N 1 3 340.537 1.775 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000580887294 322107885 /nfs/dbraw/zinc/10/78/85/322107885.db2.gz LNSPZFFAQOIJTN-OWCLPIDISA-N 1 3 348.491 1.751 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1 ZINC000581320944 322164116 /nfs/dbraw/zinc/16/41/16/322164116.db2.gz SSIFVLRCAMLYJT-SFHVURJKSA-N 1 3 333.476 1.367 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCN1C ZINC000343823102 444611617 /nfs/dbraw/zinc/61/16/17/444611617.db2.gz SZWWIACZCNBNGC-BFYDXBDKSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000333950357 444727079 /nfs/dbraw/zinc/72/70/79/444727079.db2.gz YAXDOKFDWCOPER-UHFFFAOYSA-N 1 3 338.496 1.272 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000341273578 444757147 /nfs/dbraw/zinc/75/71/47/444757147.db2.gz IGHLSCUDPIJDAC-UHFFFAOYSA-N 1 3 337.468 1.161 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCc1ccncc1OCCN(C)C ZINC000341273578 444757151 /nfs/dbraw/zinc/75/71/51/444757151.db2.gz IGHLSCUDPIJDAC-UHFFFAOYSA-N 1 3 337.468 1.161 20 0 EDADHO c1ccc(C[N@H+]2CC[C@@H]3CN(CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794813 /nfs/dbraw/zinc/79/48/13/444794813.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 1 3 329.488 1.773 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@@H]3CN(CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794816 /nfs/dbraw/zinc/79/48/16/444794816.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 1 3 329.488 1.773 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344125556 444795379 /nfs/dbraw/zinc/79/53/79/444795379.db2.gz IAQXLRSWXOYMHY-BRSBDYLESA-N 1 3 328.497 1.189 20 0 EDADHO C[C@@H]1C[C@H](CO)CCN1CCOCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344125556 444795383 /nfs/dbraw/zinc/79/53/83/444795383.db2.gz IAQXLRSWXOYMHY-BRSBDYLESA-N 1 3 328.497 1.189 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)N1CCc2ccccc2C1 ZINC000342758556 444851590 /nfs/dbraw/zinc/85/15/90/444851590.db2.gz UKXNJLMJXIVIKF-SJORKVTESA-N 1 3 347.459 1.220 20 0 EDADHO COCC[NH+]1CCC(N[C@H]2CCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000344248765 444861910 /nfs/dbraw/zinc/86/19/10/444861910.db2.gz GEUQOFHPXHFFSE-FUHWJXTLSA-N 1 3 336.480 1.994 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341432403 444827684 /nfs/dbraw/zinc/82/76/84/444827684.db2.gz LGVOLMHCDZIJTG-HNNXBMFYSA-N 1 3 342.528 1.905 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337148596 444962517 /nfs/dbraw/zinc/96/25/17/444962517.db2.gz HFSCGROBLHMNNU-UHFFFAOYSA-N 1 3 339.524 1.973 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339060513 445012843 /nfs/dbraw/zinc/01/28/43/445012843.db2.gz ZJVYDJARBKOGKI-UXPWSPDFSA-N 1 3 349.494 1.687 20 0 EDADHO C[C@H]1CN(C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061303 445014443 /nfs/dbraw/zinc/01/44/43/445014443.db2.gz HMUKWPXXGNMFPT-OXJNMPFZSA-N 1 3 349.494 1.829 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H](O)CN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000344544652 445048322 /nfs/dbraw/zinc/04/83/22/445048322.db2.gz RNUYMDXPRGWTNY-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000343090100 445054111 /nfs/dbraw/zinc/05/41/11/445054111.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 1 3 330.476 1.560 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000343090100 445054116 /nfs/dbraw/zinc/05/41/16/445054116.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 1 3 330.476 1.560 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccsc3)CC2)CC1 ZINC000337443421 445082694 /nfs/dbraw/zinc/08/26/94/445082694.db2.gz OIOXLUCPHNZIIN-UHFFFAOYSA-N 1 3 337.489 1.802 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343157055 445102566 /nfs/dbraw/zinc/10/25/66/445102566.db2.gz HXXALQQGNNYYMA-HRCADAONSA-N 1 3 340.512 1.070 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCNc1ccncc1 ZINC000343157542 445103825 /nfs/dbraw/zinc/10/38/25/445103825.db2.gz FSLBHFKZWYXFKK-QGZVFWFLSA-N 1 3 333.480 1.869 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCNc1ccncc1 ZINC000343157542 445103828 /nfs/dbraw/zinc/10/38/28/445103828.db2.gz FSLBHFKZWYXFKK-QGZVFWFLSA-N 1 3 333.480 1.869 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127163 /nfs/dbraw/zinc/12/71/63/445127163.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127164 /nfs/dbraw/zinc/12/71/64/445127164.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 1 3 336.524 1.347 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343402981 445216616 /nfs/dbraw/zinc/21/66/16/445216616.db2.gz MUKTWAVXCMNRDH-NUJGCVRESA-N 1 3 336.480 1.180 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734949 445197446 /nfs/dbraw/zinc/19/74/46/445197446.db2.gz COFWFZVEODAFDP-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CCC[N@H+]1C ZINC000345734949 445197448 /nfs/dbraw/zinc/19/74/48/445197448.db2.gz COFWFZVEODAFDP-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)CC1 ZINC000347519659 445240574 /nfs/dbraw/zinc/24/05/74/445240574.db2.gz QSUKPVIDAKBSQX-JKSUJKDBSA-N 1 3 326.485 1.221 20 0 EDADHO Cc1nc2c(n1[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246991 /nfs/dbraw/zinc/24/69/91/445246991.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CCN(C[C@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626324 445246993 /nfs/dbraw/zinc/24/69/93/445246993.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626324 445246994 /nfs/dbraw/zinc/24/69/94/445246994.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@@H]1CC[N@H+](C[C@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626324 445246996 /nfs/dbraw/zinc/24/69/96/445246996.db2.gz FOTNAAGMPZIFBE-IAGOWNOFSA-N 1 3 332.492 1.772 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000348010439 445261329 /nfs/dbraw/zinc/26/13/29/445261329.db2.gz WPOBCQDODAVMBZ-CALCHBBNSA-N 1 3 325.497 1.140 20 0 EDADHO Cc1nc(CN2C[C@H](F)C[C@H]2C[N@@H+](C)CC[C@@H]2CCCN2C)no1 ZINC000348168169 445300115 /nfs/dbraw/zinc/30/01/15/445300115.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 1 3 339.459 1.707 20 0 EDADHO Cc1nc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCCN2C)no1 ZINC000348168169 445300120 /nfs/dbraw/zinc/30/01/20/445300120.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 1 3 339.459 1.707 20 0 EDADHO Cc1nccn1CCCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348254457 445329033 /nfs/dbraw/zinc/32/90/33/445329033.db2.gz FGUFAAYULBDGHJ-UHFFFAOYSA-N 1 3 333.480 1.256 20 0 EDADHO O=C(CCOC1CNC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000349006244 445473016 /nfs/dbraw/zinc/47/30/16/445473016.db2.gz UAAZIMBTJHWOMN-QGZVFWFLSA-N 1 3 331.460 1.046 20 0 EDADHO O=C(CCOC1CNC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000349006244 445473018 /nfs/dbraw/zinc/47/30/18/445473018.db2.gz UAAZIMBTJHWOMN-QGZVFWFLSA-N 1 3 331.460 1.046 20 0 EDADHO CCN1CCN(CCC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432987 /nfs/dbraw/zinc/43/29/87/445432987.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 1 3 338.540 1.785 20 0 EDADHO CCN1CCN(CCC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432991 /nfs/dbraw/zinc/43/29/91/445432991.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 1 3 338.540 1.785 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000360138179 445590510 /nfs/dbraw/zinc/59/05/10/445590510.db2.gz ZSPIJRNWJFRTGS-IXDOHACOSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000360138179 445590513 /nfs/dbraw/zinc/59/05/13/445590513.db2.gz ZSPIJRNWJFRTGS-IXDOHACOSA-N 1 3 340.512 1.610 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC[NH+](C)CC1 ZINC000357856903 445586813 /nfs/dbraw/zinc/58/68/13/445586813.db2.gz CFAJMZWGNLMWPR-ZIAGYGMSSA-N 1 3 340.537 1.738 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358145237 445608539 /nfs/dbraw/zinc/60/85/39/445608539.db2.gz ZKXGNSUQZYZRNC-NUJGCVRESA-N 1 3 336.524 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000358145237 445608543 /nfs/dbraw/zinc/60/85/43/445608543.db2.gz ZKXGNSUQZYZRNC-NUJGCVRESA-N 1 3 336.524 1.249 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000349929663 445723569 /nfs/dbraw/zinc/72/35/69/445723569.db2.gz CKQUGRIRRDELAP-NXOAAHMSSA-N 1 3 340.512 1.373 20 0 EDADHO CC(C)CN1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000363236586 445734905 /nfs/dbraw/zinc/73/49/05/445734905.db2.gz USLIANMHQJFDDD-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000353759789 445742121 /nfs/dbraw/zinc/74/21/21/445742121.db2.gz GAVGHOLMQWUSAY-KRWDZBQOSA-N 1 3 337.508 1.866 20 0 EDADHO NC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000358867005 445820773 /nfs/dbraw/zinc/82/07/73/445820773.db2.gz SKGMAURMGRKBAF-KBXCAEBGSA-N 1 3 349.450 1.485 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356521446 445838253 /nfs/dbraw/zinc/83/82/53/445838253.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000356521446 445838259 /nfs/dbraw/zinc/83/82/59/445838259.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[NH+]1CCN(C2CCN(c3ncnc4[nH]ccc43)CC2)CC1 ZINC000369153717 445956534 /nfs/dbraw/zinc/95/65/34/445956534.db2.gz DXJDXLGIIYBBKR-UHFFFAOYSA-N 1 3 328.464 1.954 20 0 EDADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083470 446015811 /nfs/dbraw/zinc/01/58/11/446015811.db2.gz HRQXZCDRGAGVOV-MSOLQXFVSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083470 446015818 /nfs/dbraw/zinc/01/58/18/446015818.db2.gz HRQXZCDRGAGVOV-MSOLQXFVSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359217539 446047242 /nfs/dbraw/zinc/04/72/42/446047242.db2.gz LLZDPTMXXSICQV-INIZCTEOSA-N 1 3 336.524 1.441 20 0 EDADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 ZINC000356874458 446088034 /nfs/dbraw/zinc/08/80/34/446088034.db2.gz QGXNZCRGWPIHEK-KZNAEPCWSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000356874458 446088038 /nfs/dbraw/zinc/08/80/38/446088038.db2.gz QGXNZCRGWPIHEK-KZNAEPCWSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000356874458 446088043 /nfs/dbraw/zinc/08/80/43/446088043.db2.gz QGXNZCRGWPIHEK-KZNAEPCWSA-N 1 3 325.460 1.858 20 0 EDADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278861 446114703 /nfs/dbraw/zinc/11/47/03/446114703.db2.gz UAFSSMUXLSZWIB-QQFBHYJXSA-N 1 3 340.512 1.070 20 0 EDADHO COCCSCCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373247977 446122059 /nfs/dbraw/zinc/12/20/59/446122059.db2.gz VKGZWGJUPRGCNX-QGZVFWFLSA-N 1 3 329.554 1.856 20 0 EDADHO COCCSCCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373247977 446122067 /nfs/dbraw/zinc/12/20/67/446122067.db2.gz VKGZWGJUPRGCNX-QGZVFWFLSA-N 1 3 329.554 1.856 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000359338532 446158391 /nfs/dbraw/zinc/15/83/91/446158391.db2.gz BXVMFYAYPRBEKL-KZNAEPCWSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000359338532 446158396 /nfs/dbraw/zinc/15/83/96/446158396.db2.gz BXVMFYAYPRBEKL-KZNAEPCWSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCO[C@H]3CCCCO3)CC2)CC1 ZINC000370501401 446309020 /nfs/dbraw/zinc/30/90/20/446309020.db2.gz XBUMVJYZXOOGKA-SFHVURJKSA-N 1 3 339.524 1.879 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000365717005 446312734 /nfs/dbraw/zinc/31/27/34/446312734.db2.gz NKILVWSWJZFSCQ-WMLDXEAASA-N 1 3 338.496 1.005 20 0 EDADHO CC(C)N(C)CC(=O)N1[C@@H](C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000362307200 446314238 /nfs/dbraw/zinc/31/42/38/446314238.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1[C@@H](C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000362307200 446314240 /nfs/dbraw/zinc/31/42/40/446314240.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000362307200 446314241 /nfs/dbraw/zinc/31/42/41/446314241.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000362307200 446314245 /nfs/dbraw/zinc/31/42/45/446314245.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 1 3 340.512 1.115 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000417364951 446350183 /nfs/dbraw/zinc/35/01/83/446350183.db2.gz MYTJFKZJPOBOAX-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@H]2C)[C@H](C)C1 ZINC000417667722 446369198 /nfs/dbraw/zinc/36/91/98/446369198.db2.gz HJYNZUADLFSDCR-TWMKSMIVSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@H]2C)[C@H](C)C1 ZINC000417667722 446369203 /nfs/dbraw/zinc/36/92/03/446369203.db2.gz HJYNZUADLFSDCR-TWMKSMIVSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC3(C)CC[NH+](C)CC3)n2)CC1 ZINC000365875156 446382654 /nfs/dbraw/zinc/38/26/54/446382654.db2.gz JJOGTRJJNKGMIX-UHFFFAOYSA-N 1 3 348.495 2.003 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000417362881 446349045 /nfs/dbraw/zinc/34/90/45/446349045.db2.gz LJTYQBCJRQRRTD-GDBMZVCRSA-N 1 3 334.464 1.554 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417986986 446408438 /nfs/dbraw/zinc/40/84/38/446408438.db2.gz HJZYSYQYEDQPGE-BMGDILEWSA-N 1 3 346.475 1.180 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCN1C ZINC000418013557 446416958 /nfs/dbraw/zinc/41/69/58/446416958.db2.gz ZJTSIEISXTVQTI-SISZQAHGSA-N 1 3 334.508 1.922 20 0 EDADHO COCCOc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1OC ZINC000423201109 446451923 /nfs/dbraw/zinc/45/19/23/446451923.db2.gz HKJIBUCFRDJZPN-OAHLLOKOSA-N 1 3 337.464 1.276 20 0 EDADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000423234751 446460857 /nfs/dbraw/zinc/46/08/57/446460857.db2.gz QAWGBPVNVJSOBR-GVDBMIGSSA-N 1 3 331.464 1.060 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@H](N(C)C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411303547 446481237 /nfs/dbraw/zinc/48/12/37/446481237.db2.gz QSXPCCSYFSLWEN-YOEHRIQHSA-N 1 3 346.475 1.404 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1CN(C)C ZINC000411303547 446481245 /nfs/dbraw/zinc/48/12/45/446481245.db2.gz QSXPCCSYFSLWEN-YOEHRIQHSA-N 1 3 346.475 1.404 20 0 EDADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000367030697 446475508 /nfs/dbraw/zinc/47/55/08/446475508.db2.gz RRNLQSJOQFCYAK-LPHOPBHVSA-N 1 3 344.503 1.504 20 0 EDADHO CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000367030697 446475517 /nfs/dbraw/zinc/47/55/17/446475517.db2.gz RRNLQSJOQFCYAK-LPHOPBHVSA-N 1 3 344.503 1.504 20 0 EDADHO CS(=O)(=O)N(CCN1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000420320622 446485010 /nfs/dbraw/zinc/48/50/10/446485010.db2.gz YUADDTNAFWSWJI-QGZVFWFLSA-N 1 3 339.505 1.509 20 0 EDADHO CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418336937 446505501 /nfs/dbraw/zinc/50/55/01/446505501.db2.gz INKUUVWRTLLVOD-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CC[C@H](C)[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330520 446499024 /nfs/dbraw/zinc/49/90/24/446499024.db2.gz QASXSUZIMAHPIK-HWMZRRJGSA-N 1 3 339.480 1.012 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423400983 446518364 /nfs/dbraw/zinc/51/83/64/446518364.db2.gz VOELKTKBDBSLBS-HNNXBMFYSA-N 1 3 325.497 1.770 20 0 EDADHO COC(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357976 446538552 /nfs/dbraw/zinc/53/85/52/446538552.db2.gz IJXPECDPUCXDPA-CVEARBPZSA-N 1 3 331.460 1.983 20 0 EDADHO CCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418464167 446553664 /nfs/dbraw/zinc/55/36/64/446553664.db2.gz AORLXVMFCLJVSO-MSOLQXFVSA-N 1 3 348.491 1.168 20 0 EDADHO [NH3+]CC1(O)CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000420406138 446580603 /nfs/dbraw/zinc/58/06/03/446580603.db2.gz PZZICHKDHLXRNB-UHFFFAOYSA-N 1 3 347.228 1.753 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000418540959 446586699 /nfs/dbraw/zinc/58/66/99/446586699.db2.gz AQLLYQSLJDWPCA-JQFCIGGWSA-N 1 3 334.464 1.738 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418599208 446609960 /nfs/dbraw/zinc/60/99/60/446609960.db2.gz ZFPAKFANIZZZLE-VYDXJSESSA-N 1 3 334.464 1.867 20 0 EDADHO C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418703170 446654954 /nfs/dbraw/zinc/65/49/54/446654954.db2.gz HHRNIYCAXZNDAC-XUWVNRHRSA-N 1 3 340.512 1.643 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000420449152 446625307 /nfs/dbraw/zinc/62/53/07/446625307.db2.gz STSIMLDPLPAZBO-OAHLLOKOSA-N 1 3 325.478 1.559 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)COC1CC[NH2+]CC1 ZINC000423650770 446626647 /nfs/dbraw/zinc/62/66/47/446626647.db2.gz UYZAGHPJEMRNFH-UHFFFAOYSA-N 1 3 337.439 1.485 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423768066 446694396 /nfs/dbraw/zinc/69/43/96/446694396.db2.gz ZRWPUAIPDVMIFG-RTBURBONSA-N 1 3 344.503 1.185 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000423768066 446694402 /nfs/dbraw/zinc/69/44/02/446694402.db2.gz ZRWPUAIPDVMIFG-RTBURBONSA-N 1 3 344.503 1.185 20 0 EDADHO C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)CCCC1 ZINC000418835712 446740317 /nfs/dbraw/zinc/74/03/17/446740317.db2.gz ZONRVYGMVOWRMA-INIZCTEOSA-N 1 3 346.475 1.041 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423754874 446684031 /nfs/dbraw/zinc/68/40/31/446684031.db2.gz ZHPWFAIUNJTAKE-CYBMUJFWSA-N 1 3 325.403 1.855 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423895504 446747990 /nfs/dbraw/zinc/74/79/90/446747990.db2.gz FSHDSEUEPLUFMQ-OKZBNKHCSA-N 1 3 331.460 1.473 20 0 EDADHO CO[C@H](CN)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423895504 446747998 /nfs/dbraw/zinc/74/79/98/446747998.db2.gz FSHDSEUEPLUFMQ-OKZBNKHCSA-N 1 3 331.460 1.473 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390619 446766487 /nfs/dbraw/zinc/76/64/87/446766487.db2.gz HQJCXSUNNKGUIP-IAGOWNOFSA-N 1 3 343.537 1.102 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390619 446766493 /nfs/dbraw/zinc/76/64/93/446766493.db2.gz HQJCXSUNNKGUIP-IAGOWNOFSA-N 1 3 343.537 1.102 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@H]2CCCN2CCc2ccccc2)CCOCC1 ZINC000375398900 446773291 /nfs/dbraw/zinc/77/32/91/446773291.db2.gz BAMIRNYCIJSCKB-GOSISDBHSA-N 1 3 345.487 1.565 20 0 EDADHO C[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCCCCC1 ZINC000423994284 446813968 /nfs/dbraw/zinc/81/39/68/446813968.db2.gz CBEOZRWZBZWLPU-HOCLYGCPSA-N 1 3 334.468 1.165 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419079541 446910184 /nfs/dbraw/zinc/91/01/84/446910184.db2.gz NDOZWFOSGNNELO-OAGGEKHMSA-N 1 3 338.496 1.001 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000368561319 446945397 /nfs/dbraw/zinc/94/53/97/446945397.db2.gz LAYLACSRRQCHRT-QAQDUYKDSA-N 1 3 347.507 1.864 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574410 446951392 /nfs/dbraw/zinc/95/13/92/446951392.db2.gz BBYISYLETMWAHU-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC(C)CC1 ZINC000419142911 446955634 /nfs/dbraw/zinc/95/56/34/446955634.db2.gz CQGUWVGCLLHYRQ-OAHLLOKOSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419215357 447013879 /nfs/dbraw/zinc/01/38/79/447013879.db2.gz OHOJTLBPUJNFIP-CABCVRRESA-N 1 3 346.475 1.141 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419215357 447013886 /nfs/dbraw/zinc/01/38/86/447013886.db2.gz OHOJTLBPUJNFIP-CABCVRRESA-N 1 3 346.475 1.141 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171781 446987999 /nfs/dbraw/zinc/98/79/99/446987999.db2.gz PPOUCBIWUSOKOQ-OAHLLOKOSA-N 1 3 340.512 1.391 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CCN(Cc3ccccc3F)CC2)O1 ZINC000375710965 446992850 /nfs/dbraw/zinc/99/28/50/446992850.db2.gz KHSKGRFZUVXLFS-AEFFLSMTSA-N 1 3 349.450 1.660 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000372098477 446999985 /nfs/dbraw/zinc/99/99/85/446999985.db2.gz KEBYWVLSKRFVJT-MBNYWOFBSA-N 1 3 327.519 1.938 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000372098477 446999991 /nfs/dbraw/zinc/99/99/91/446999991.db2.gz KEBYWVLSKRFVJT-MBNYWOFBSA-N 1 3 327.519 1.938 20 0 EDADHO CCOc1ccc(OCCNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058185 447000037 /nfs/dbraw/zinc/00/00/37/447000037.db2.gz JRNXXXQNQBGKFC-INIZCTEOSA-N 1 3 349.475 1.641 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377318393 447060687 /nfs/dbraw/zinc/06/06/87/447060687.db2.gz UWBITSIXQTTWTI-MTNOOBJLSA-N 1 3 345.512 1.843 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CSCCN3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377318393 447060691 /nfs/dbraw/zinc/06/06/91/447060691.db2.gz UWBITSIXQTTWTI-MTNOOBJLSA-N 1 3 345.512 1.843 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189630 447094346 /nfs/dbraw/zinc/09/43/46/447094346.db2.gz VWXDOGIDUYSTQZ-WQVCFCJDSA-N 1 3 329.510 1.072 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419410110 447159259 /nfs/dbraw/zinc/15/92/59/447159259.db2.gz AIOJKTDFDYSDTI-DLBZAZTESA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000455435353 447129777 /nfs/dbraw/zinc/12/97/77/447129777.db2.gz SBQUJMAPEDKUIN-RYQLBKOJSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000455435353 447129779 /nfs/dbraw/zinc/12/97/79/447129779.db2.gz SBQUJMAPEDKUIN-RYQLBKOJSA-N 1 3 330.476 1.710 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536794 447188186 /nfs/dbraw/zinc/18/81/86/447188186.db2.gz WYZSGTNYQUEABA-IAGOWNOFSA-N 1 3 347.459 1.295 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536794 447188191 /nfs/dbraw/zinc/18/81/91/447188191.db2.gz WYZSGTNYQUEABA-IAGOWNOFSA-N 1 3 347.459 1.295 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000455662717 447201285 /nfs/dbraw/zinc/20/12/85/447201285.db2.gz VNSWUZQAMIOXMS-CQSZACIVSA-N 1 3 338.500 1.933 20 0 EDADHO CC[C@@H](C)[C@H](OC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376020197 447212615 /nfs/dbraw/zinc/21/26/15/447212615.db2.gz DZIGDGJIOBTOTF-PBHICJAKSA-N 1 3 325.497 1.722 20 0 EDADHO CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000419897539 447476442 /nfs/dbraw/zinc/47/64/42/447476442.db2.gz OLHNHMYCVGPWDZ-DOTOQJQBSA-N 1 3 346.475 1.006 20 0 EDADHO CN1CCC(CNC(=O)[C@H]2CCCN2C2CC2)([NH+]2CCCCC2)CC1 ZINC000426792964 447502283 /nfs/dbraw/zinc/50/22/83/447502283.db2.gz OLSAIGBMPVNYTI-GOSISDBHSA-N 1 3 348.535 1.680 20 0 EDADHO [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CC1 ZINC000415539217 447504651 /nfs/dbraw/zinc/50/46/51/447504651.db2.gz LMHFMAURXRADJP-KRWDZBQOSA-N 1 3 344.459 1.465 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CCCN1CCCO)C(C)C ZINC000457424229 447577968 /nfs/dbraw/zinc/57/79/68/447577968.db2.gz OQMWENTWBQNFNA-MRXNPFEDSA-N 1 3 328.501 1.251 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210144 447539338 /nfs/dbraw/zinc/53/93/38/447539338.db2.gz OMVKUHRKLPCYDT-PKOBYXMFSA-N 1 3 346.519 1.822 20 0 EDADHO COc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000416824751 447691979 /nfs/dbraw/zinc/69/19/79/447691979.db2.gz PNDCWKLVJFRBKK-INIZCTEOSA-N 1 3 334.464 1.869 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416852779 447697285 /nfs/dbraw/zinc/69/72/85/447697285.db2.gz NAJOLCIICVKJND-DOTOQJQBSA-N 1 3 334.464 1.869 20 0 EDADHO CCOC(=O)c1ncn(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)c1N ZINC000459436584 447665527 /nfs/dbraw/zinc/66/55/27/447665527.db2.gz YLUSXMKKNAKUTM-AWEZNQCLSA-N 1 3 349.479 1.763 20 0 EDADHO COCCNCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416814122 447691256 /nfs/dbraw/zinc/69/12/56/447691256.db2.gz FOXJWKHXILEWGC-UHFFFAOYSA-N 1 3 340.512 1.710 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422713854 447725145 /nfs/dbraw/zinc/72/51/45/447725145.db2.gz KJGJSCFWHYFIQH-GBESFXJTSA-N 1 3 343.519 1.844 20 0 EDADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915949 447772170 /nfs/dbraw/zinc/77/21/70/447772170.db2.gz ZLJMRAHZTFIOHA-LSDHHAIUSA-N 1 3 339.505 1.696 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](NC3CCC([NH3+])CC3)C2=O)c1 ZINC000422921047 447773744 /nfs/dbraw/zinc/77/37/44/447773744.db2.gz ONRQJNNMGSHLPF-QWQCLYJRSA-N 1 3 333.432 1.669 20 0 EDADHO O=C(C1CCC1)N1CCN(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422952384 447779487 /nfs/dbraw/zinc/77/94/87/447779487.db2.gz AXFOBNSONILMRP-GUDVDZBRSA-N 1 3 348.535 1.441 20 0 EDADHO O=S(=O)(NCCC[NH2+]C1CCNCC1)c1ccccc1Cl ZINC000423096158 447804176 /nfs/dbraw/zinc/80/41/76/447804176.db2.gz HAJLCGZZLDGSMT-UHFFFAOYSA-N 1 3 331.869 1.350 20 0 EDADHO CN1CC[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1c1ccccc1 ZINC000471635470 447806165 /nfs/dbraw/zinc/80/61/65/447806165.db2.gz KDDFKXUXTUSASG-DLBZAZTESA-N 1 3 334.464 1.309 20 0 EDADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(F)(F)F ZINC000530346680 447865886 /nfs/dbraw/zinc/86/58/86/447865886.db2.gz GLGCTABDFPKXKS-LBPRGKRZSA-N 1 3 326.407 1.708 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1C ZINC000569741159 447881514 /nfs/dbraw/zinc/88/15/14/447881514.db2.gz ZLEUIUKLCWSQGU-BMFZPTHFSA-N 1 3 325.522 1.803 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000569793775 447891010 /nfs/dbraw/zinc/89/10/10/447891010.db2.gz NGVXPTSWYCDNMG-UHFFFAOYSA-N 1 3 344.459 1.435 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000490270124 447891795 /nfs/dbraw/zinc/89/17/95/447891795.db2.gz IXALRHLXBPDCLZ-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1cccc(F)c1 ZINC000524921627 447959908 /nfs/dbraw/zinc/95/99/08/447959908.db2.gz IEOQBNOFMNDKBZ-UHFFFAOYSA-N 1 3 338.471 1.893 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](C[N@H+](C)CC)C2)n1 ZINC000553432694 447993617 /nfs/dbraw/zinc/99/36/17/447993617.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 1 3 335.500 1.714 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@H](C[N@@H+](C)CC)C2)n1 ZINC000553432694 447993622 /nfs/dbraw/zinc/99/36/22/447993622.db2.gz RIMWTCOBTLBHSR-CYBMUJFWSA-N 1 3 335.500 1.714 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570382555 447998156 /nfs/dbraw/zinc/99/81/56/447998156.db2.gz PAWKPXRSRAXVEA-YJBOKZPZSA-N 1 3 328.460 1.868 20 0 EDADHO C[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000497255089 448009648 /nfs/dbraw/zinc/00/96/48/448009648.db2.gz WCDFADFJINIRTH-GJZGRUSLSA-N 1 3 329.485 1.536 20 0 EDADHO C[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CN1CCCC1 ZINC000497255089 448009655 /nfs/dbraw/zinc/00/96/55/448009655.db2.gz WCDFADFJINIRTH-GJZGRUSLSA-N 1 3 329.485 1.536 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000531058204 448010832 /nfs/dbraw/zinc/01/08/32/448010832.db2.gz YJAMDTBJDJBUKO-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000531058204 448010840 /nfs/dbraw/zinc/01/08/40/448010840.db2.gz YJAMDTBJDJBUKO-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO CN(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000496906861 448022692 /nfs/dbraw/zinc/02/26/92/448022692.db2.gz HPZCASUUKIDROY-DKUMPPAJSA-N 1 3 327.469 1.429 20 0 EDADHO CN(C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000496906861 448022694 /nfs/dbraw/zinc/02/26/94/448022694.db2.gz HPZCASUUKIDROY-DKUMPPAJSA-N 1 3 327.469 1.429 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000501768963 448097979 /nfs/dbraw/zinc/09/79/79/448097979.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000501768963 448097988 /nfs/dbraw/zinc/09/79/88/448097988.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 1 3 326.485 1.076 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000515113780 448260517 /nfs/dbraw/zinc/26/05/17/448260517.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 1 3 347.503 1.860 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000515113780 448260521 /nfs/dbraw/zinc/26/05/21/448260521.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 1 3 347.503 1.860 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC000515483326 448320081 /nfs/dbraw/zinc/32/00/81/448320081.db2.gz NBBBNKLFNINFST-NVXWUHKLSA-N 1 3 338.540 1.591 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392033 448285827 /nfs/dbraw/zinc/28/58/27/448285827.db2.gz IBXXIUSTMOJFLB-AEFFLSMTSA-N 1 3 346.475 1.365 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCNc1cnccn1 ZINC000564824571 448340980 /nfs/dbraw/zinc/34/09/80/448340980.db2.gz KDSQFZVJBCALKX-CRAIPNDOSA-N 1 3 325.416 1.734 20 0 EDADHO CCCC[N@H+](C)CC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000533000714 448342255 /nfs/dbraw/zinc/34/22/55/448342255.db2.gz ANCYQMFPDUWHBL-UHFFFAOYSA-N 1 3 331.526 1.466 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000533000714 448342257 /nfs/dbraw/zinc/34/22/57/448342257.db2.gz ANCYQMFPDUWHBL-UHFFFAOYSA-N 1 3 331.526 1.466 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000577712888 448364538 /nfs/dbraw/zinc/36/45/38/448364538.db2.gz UDHWPNITPCRXID-INIZCTEOSA-N 1 3 346.475 1.711 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572263244 448331440 /nfs/dbraw/zinc/33/14/40/448331440.db2.gz RZLYAGOPKZFKGQ-PKOBYXMFSA-N 1 3 328.460 1.659 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CSC)CC1 ZINC000572631472 448426861 /nfs/dbraw/zinc/42/68/61/448426861.db2.gz UCUVDZYJLKPMTI-GOSISDBHSA-N 1 3 337.533 1.638 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CO)CCCC3)CC2)CC1 ZINC000577961715 448428241 /nfs/dbraw/zinc/42/82/41/448428241.db2.gz BCWHEABOQJDQPM-UHFFFAOYSA-N 1 3 337.508 1.604 20 0 EDADHO CN1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000516749715 448467114 /nfs/dbraw/zinc/46/71/14/448467114.db2.gz MAYJLHXQOCRWBH-IKGGRYGDSA-N 1 3 332.448 1.110 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000578331568 448519690 /nfs/dbraw/zinc/51/96/90/448519690.db2.gz CBXOHFRJMDLQGU-MAUKXSAKSA-N 1 3 345.491 1.948 20 0 EDADHO O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000566627617 448526207 /nfs/dbraw/zinc/52/62/07/448526207.db2.gz GQKMKOFOLKMMAM-YESZJQIVSA-N 1 3 333.863 1.950 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC000573157588 448556053 /nfs/dbraw/zinc/55/60/53/448556053.db2.gz HNCAPADHTDWLRU-GOSISDBHSA-N 1 3 349.475 1.850 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566855553 448572994 /nfs/dbraw/zinc/57/29/94/448572994.db2.gz SFLNCHGYAUNFGD-QILLFSRXSA-N 1 3 335.467 1.969 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566855553 448572998 /nfs/dbraw/zinc/57/29/98/448572998.db2.gz SFLNCHGYAUNFGD-QILLFSRXSA-N 1 3 335.467 1.969 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000584518163 448554015 /nfs/dbraw/zinc/55/40/15/448554015.db2.gz UNFIGNXDPAXZHN-JKSUJKDBSA-N 1 3 342.447 1.322 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)cc1 ZINC000578642561 448602133 /nfs/dbraw/zinc/60/21/33/448602133.db2.gz QOANNGOWCFEVMD-KSSFIOAISA-N 1 3 332.444 1.869 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000578881041 448661095 /nfs/dbraw/zinc/66/10/95/448661095.db2.gz OQXCZYYKMMZIQK-GOSISDBHSA-N 1 3 332.444 1.845 20 0 EDADHO [NH3+]CCCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)nn1 ZINC000573958344 448757882 /nfs/dbraw/zinc/75/78/82/448757882.db2.gz DLQCONXARLDUOD-UHFFFAOYSA-N 1 3 342.447 1.021 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592450721 448844742 /nfs/dbraw/zinc/84/47/42/448844742.db2.gz WNJHOLJLCUIFMR-IUODEOHRSA-N 1 3 343.431 1.158 20 0 EDADHO CCn1nncc1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000529561895 448896996 /nfs/dbraw/zinc/89/69/96/448896996.db2.gz WJYMSQMENHROGH-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058229 448999838 /nfs/dbraw/zinc/99/98/38/448999838.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058229 448999844 /nfs/dbraw/zinc/99/98/44/448999844.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058229 448999852 /nfs/dbraw/zinc/99/98/52/448999852.db2.gz TYHPEDMWSYKGAZ-VDGAXYAQSA-N 1 3 347.503 1.321 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(Cc2ccccc2)n1 ZINC000548186470 449000030 /nfs/dbraw/zinc/00/00/30/449000030.db2.gz XMJQSKPVHZYUHK-UHFFFAOYSA-N 1 3 343.475 1.497 20 0 EDADHO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)cc1 ZINC000582058585 449000425 /nfs/dbraw/zinc/00/04/25/449000425.db2.gz NQHDTBGMMVILTP-YOEHRIQHSA-N 1 3 348.443 1.453 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592955746 449076972 /nfs/dbraw/zinc/07/69/72/449076972.db2.gz OUWMIWSQPJEBAA-AWEZNQCLSA-N 1 3 341.459 1.711 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956833 449078677 /nfs/dbraw/zinc/07/86/77/449078677.db2.gz ZPQBCXQLRFMNKN-NVXWUHKLSA-N 1 3 341.459 1.752 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113654 449465183 /nfs/dbraw/zinc/46/51/83/449465183.db2.gz PFVONDLHUIKPAE-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCn1cnc2ccccc21 ZINC000607243351 449589842 /nfs/dbraw/zinc/58/98/42/449589842.db2.gz SMSUTBKIWVWSIQ-UHFFFAOYSA-N 1 3 346.479 1.171 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617504490 449649513 /nfs/dbraw/zinc/64/95/13/449649513.db2.gz YFBOADIDBBNYGA-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000617504490 449649518 /nfs/dbraw/zinc/64/95/18/449649518.db2.gz YFBOADIDBBNYGA-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(N2CCCC2)n1 ZINC000617505941 449654132 /nfs/dbraw/zinc/65/41/32/449654132.db2.gz VZXVHKCZHSOYCZ-HNNXBMFYSA-N 1 3 348.495 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(N2CCCC2)n1 ZINC000617505941 449654135 /nfs/dbraw/zinc/65/41/35/449654135.db2.gz VZXVHKCZHSOYCZ-HNNXBMFYSA-N 1 3 348.495 1.079 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000617507699 449659378 /nfs/dbraw/zinc/65/93/78/449659378.db2.gz GHVBKHFKZQJFGU-AWEZNQCLSA-N 1 3 346.479 1.417 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccn(C)c2)n[nH]1 ZINC000617507699 449659382 /nfs/dbraw/zinc/65/93/82/449659382.db2.gz GHVBKHFKZQJFGU-AWEZNQCLSA-N 1 3 346.479 1.417 20 0 EDADHO CSC1(CNCc2ccc(S(N)(=O)=O)s2)CC[NH+](C)CC1 ZINC000602665847 449738708 /nfs/dbraw/zinc/73/87/08/449738708.db2.gz DDMDSSVWSZZJSY-UHFFFAOYSA-N 1 3 349.547 1.313 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743102 /nfs/dbraw/zinc/74/31/02/449743102.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 1 3 345.487 1.744 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743107 /nfs/dbraw/zinc/74/31/07/449743107.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 1 3 345.487 1.744 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000601436938 449959186 /nfs/dbraw/zinc/95/91/86/449959186.db2.gz MTDALZJEXJRBLD-FZKCQIBNSA-N 1 3 325.522 1.755 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000601436938 449959190 /nfs/dbraw/zinc/95/91/90/449959190.db2.gz MTDALZJEXJRBLD-FZKCQIBNSA-N 1 3 325.522 1.755 20 0 EDADHO CCn1cc(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)nn1 ZINC000618150985 450028901 /nfs/dbraw/zinc/02/89/01/450028901.db2.gz IJOZFEMRSBFRMF-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273787 450038765 /nfs/dbraw/zinc/03/87/65/450038765.db2.gz FUSOMQJKZZHLNC-MSOLQXFVSA-N 1 3 335.492 1.573 20 0 EDADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000615309054 450056727 /nfs/dbraw/zinc/05/67/27/450056727.db2.gz PJILHKKDAMHOCQ-HHXXYDBFSA-N 1 3 331.460 1.174 20 0 EDADHO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(c2ccncc2)CC1 ZINC000615705103 450205215 /nfs/dbraw/zinc/20/52/15/450205215.db2.gz GXTZYSGYGCDLBS-UHFFFAOYSA-N 1 3 343.475 1.788 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3[C@H](C)O)CC2)CC1 ZINC000618925203 450342353 /nfs/dbraw/zinc/34/23/53/450342353.db2.gz GGPWZSCIPYPRQV-MAUKXSAKSA-N 1 3 337.508 1.555 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616781863 450483566 /nfs/dbraw/zinc/48/35/66/450483566.db2.gz XXWKBVIDGFMJNJ-HZPDHXFCSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616781863 450483571 /nfs/dbraw/zinc/48/35/71/450483571.db2.gz XXWKBVIDGFMJNJ-HZPDHXFCSA-N 1 3 340.512 1.210 20 0 EDADHO COc1cc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380490 450509662 /nfs/dbraw/zinc/50/96/62/450509662.db2.gz AZJIXDVWZZSHPC-AWEZNQCLSA-N 1 3 335.448 1.522 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000621099705 450580618 /nfs/dbraw/zinc/58/06/18/450580618.db2.gz ZRWBNXBDJARPMV-MRXNPFEDSA-N 1 3 333.480 1.297 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000621099705 450580620 /nfs/dbraw/zinc/58/06/20/450580620.db2.gz ZRWBNXBDJARPMV-MRXNPFEDSA-N 1 3 333.480 1.297 20 0 EDADHO Nc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000624041919 450682331 /nfs/dbraw/zinc/68/23/31/450682331.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 1 3 339.447 1.188 20 0 EDADHO Nc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000624041919 450682337 /nfs/dbraw/zinc/68/23/37/450682337.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 1 3 339.447 1.188 20 0 EDADHO CCO[C@H](CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542233 450726855 /nfs/dbraw/zinc/72/68/55/450726855.db2.gz CFGZJWGWYXFBTL-GVDBMIGSSA-N 1 3 336.480 1.022 20 0 EDADHO CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122424 451052445 /nfs/dbraw/zinc/05/24/45/451052445.db2.gz UVLSDJATICFNFT-HOTGVXAUSA-N 1 3 329.510 1.218 20 0 EDADHO CN(CC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)C ZINC000635559890 451057580 /nfs/dbraw/zinc/05/75/80/451057580.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 1 3 326.529 1.449 20 0 EDADHO CN(CC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)C ZINC000635559890 451057584 /nfs/dbraw/zinc/05/75/84/451057584.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 1 3 326.529 1.449 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCN(C)CC1 ZINC000627011741 451075524 /nfs/dbraw/zinc/07/55/24/451075524.db2.gz IXDZQBNEWWWNNG-FPMFFAJLSA-N 1 3 348.413 1.806 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013174 451077649 /nfs/dbraw/zinc/07/76/49/451077649.db2.gz LSLVOQVYRXTXDS-XYVMCAHJSA-N 1 3 330.476 1.947 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H](C)O[C@@H]3C)CC2)CC1 ZINC000634024769 451159842 /nfs/dbraw/zinc/15/98/42/451159842.db2.gz BNIKITSFLYLISN-HDMKZQKVSA-N 1 3 337.508 1.865 20 0 EDADHO CN(CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704384 451184951 /nfs/dbraw/zinc/18/49/51/451184951.db2.gz HTUKEMWVYWJNMW-SJORKVTESA-N 1 3 339.524 1.848 20 0 EDADHO CN(C)C[C@@H](NC(=O)NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000627217625 451192790 /nfs/dbraw/zinc/19/27/90/451192790.db2.gz FOOOVZXDYGZFDI-OAHLLOKOSA-N 1 3 342.871 1.607 20 0 EDADHO CN1CCC(C[NH2+]C[C@@]2(C)CCCS2)(N2CCOCC2)CC1 ZINC000628310315 451214397 /nfs/dbraw/zinc/21/43/97/451214397.db2.gz XREFSXGSEOKZIH-MRXNPFEDSA-N 1 3 327.538 1.658 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084027 451247724 /nfs/dbraw/zinc/24/77/24/451247724.db2.gz MIHVZIAACRZHFV-MOPGFXCFSA-N 1 3 344.503 1.533 20 0 EDADHO O=C(NC[C@H]1CCCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634261222 451256401 /nfs/dbraw/zinc/25/64/01/451256401.db2.gz ZBYYJLBZFKDRPR-MJGOQNOKSA-N 1 3 346.475 1.065 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000638094298 451259046 /nfs/dbraw/zinc/25/90/46/451259046.db2.gz ZNMAHDAQLITBBX-DZGCQCFKSA-N 1 3 332.448 1.320 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000638094298 451259052 /nfs/dbraw/zinc/25/90/52/451259052.db2.gz ZNMAHDAQLITBBX-DZGCQCFKSA-N 1 3 332.448 1.320 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638101933 451268800 /nfs/dbraw/zinc/26/88/00/451268800.db2.gz RCDSHRXJPOXVJQ-ZWKOTPCHSA-N 1 3 331.460 1.473 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638101933 451268803 /nfs/dbraw/zinc/26/88/03/451268803.db2.gz RCDSHRXJPOXVJQ-ZWKOTPCHSA-N 1 3 331.460 1.473 20 0 EDADHO COC[C@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCCN1 ZINC000638108418 451277024 /nfs/dbraw/zinc/27/70/24/451277024.db2.gz MALGMHXBLUNIDE-SFHVURJKSA-N 1 3 341.496 1.151 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111253 451279753 /nfs/dbraw/zinc/27/97/53/451279753.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 1 3 346.519 1.540 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111253 451279757 /nfs/dbraw/zinc/27/97/57/451279757.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 1 3 346.519 1.540 20 0 EDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[NH2+]CC1 ZINC000638277222 451397106 /nfs/dbraw/zinc/39/71/06/451397106.db2.gz SJLUGYICNPWAAV-UHFFFAOYSA-N 1 3 338.883 1.135 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccn1 ZINC000628749136 451397295 /nfs/dbraw/zinc/39/72/95/451397295.db2.gz LHKHDWJBEZAVKW-HNNXBMFYSA-N 1 3 334.464 1.484 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)ccn1 ZINC000628749136 451397301 /nfs/dbraw/zinc/39/73/01/451397301.db2.gz LHKHDWJBEZAVKW-HNNXBMFYSA-N 1 3 334.464 1.484 20 0 EDADHO CN(C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000630851827 451438249 /nfs/dbraw/zinc/43/82/49/451438249.db2.gz DRUQVGJIYMKDKD-UHFFFAOYSA-N 1 3 329.448 1.653 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638367729 451464686 /nfs/dbraw/zinc/46/46/86/451464686.db2.gz GRGBRNOFSCAWJD-NWDGAFQWSA-N 1 3 333.436 1.159 20 0 EDADHO Cc1nccn1CCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000634701478 451476025 /nfs/dbraw/zinc/47/60/25/451476025.db2.gz QKFOLSWWYDHJTR-LJQANCHMSA-N 1 3 328.460 1.808 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338748 451442644 /nfs/dbraw/zinc/44/26/44/451442644.db2.gz FRSUSVIBASQXNT-MRXNPFEDSA-N 1 3 348.491 1.673 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)CC1 ZINC000629128830 451560865 /nfs/dbraw/zinc/56/08/65/451560865.db2.gz VYQVBNMEEWZCIE-IEBWSBKVSA-N 1 3 349.519 1.866 20 0 EDADHO NC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559333 451576817 /nfs/dbraw/zinc/57/68/17/451576817.db2.gz PWPCYIGPQQINOE-KWCYVHTRSA-N 1 3 347.356 1.854 20 0 EDADHO COC1CCN(C(C)(C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638636382 451623555 /nfs/dbraw/zinc/62/35/55/451623555.db2.gz AKNBEUUSXXVIGH-UHFFFAOYSA-N 1 3 341.540 1.701 20 0 EDADHO O=C1CC[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCN1 ZINC000634967209 451627779 /nfs/dbraw/zinc/62/77/79/451627779.db2.gz IQWKOVGJIBKQTQ-KRWDZBQOSA-N 1 3 331.460 1.402 20 0 EDADHO Nc1ccc(-c2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000634994409 451642164 /nfs/dbraw/zinc/64/21/64/451642164.db2.gz BSYNAXRPPRCUSX-IBGZPJMESA-N 1 3 337.471 1.810 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3c(cn2)OCCO3)C[C@H](C)O1 ZINC000638681254 451649582 /nfs/dbraw/zinc/64/95/82/451649582.db2.gz KRVYLXXMJPRIMK-GASCZTMLSA-N 1 3 335.448 1.832 20 0 EDADHO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000638728912 451668962 /nfs/dbraw/zinc/66/89/62/451668962.db2.gz NHSYAMSUMWLIPW-GOSISDBHSA-N 1 3 345.487 1.660 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638728912 451668964 /nfs/dbraw/zinc/66/89/64/451668964.db2.gz NHSYAMSUMWLIPW-GOSISDBHSA-N 1 3 345.487 1.660 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985351 451746329 /nfs/dbraw/zinc/74/63/29/451746329.db2.gz FASNCZLTBJDAAG-QGZVFWFLSA-N 1 3 337.427 1.664 20 0 EDADHO CN(C)CCn1cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cn1 ZINC000639028295 451754825 /nfs/dbraw/zinc/75/48/25/451754825.db2.gz YMJLHMZERLPTNC-AWEZNQCLSA-N 1 3 327.432 1.223 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330054 451790926 /nfs/dbraw/zinc/79/09/26/451790926.db2.gz RXGCSTTZQRYAOI-GOSISDBHSA-N 1 3 345.491 1.830 20 0 EDADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000642113222 451823449 /nfs/dbraw/zinc/82/34/49/451823449.db2.gz MHCYALXMNJVLTF-DOTOQJQBSA-N 1 3 346.475 1.039 20 0 EDADHO CN(C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649278263 451949670 /nfs/dbraw/zinc/94/96/70/451949670.db2.gz WVXKQCSGUOAVOV-HUUCEWRRSA-N 1 3 325.403 1.520 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@@H](C)C1 ZINC000639589604 451960523 /nfs/dbraw/zinc/96/05/23/451960523.db2.gz POKRCUPZCBCQOM-RYQLBKOJSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)CN2CCCC[C@H](N)C2=O)c1 ZINC000649295364 451971393 /nfs/dbraw/zinc/97/13/93/451971393.db2.gz DKLSKQXKXGOIBA-KRWDZBQOSA-N 1 3 346.475 1.807 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)N(C)C)cc1 ZINC000649302975 451980200 /nfs/dbraw/zinc/98/02/00/451980200.db2.gz LWSQAGACZLZYQU-DOTOQJQBSA-N 1 3 342.447 1.154 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982164 /nfs/dbraw/zinc/98/21/64/451982164.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 1 3 341.540 1.514 20 0 EDADHO Cc1ncc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000637666261 452007757 /nfs/dbraw/zinc/00/77/57/452007757.db2.gz QFQSELXHFFAJGE-GFCCVEGCSA-N 1 3 327.498 1.647 20 0 EDADHO c1ccc(-n2nnnc2CCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682200 452020689 /nfs/dbraw/zinc/02/06/89/452020689.db2.gz MOCVLPMKXMEPTD-UHFFFAOYSA-N 1 3 349.442 1.812 20 0 EDADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2cccc(Cl)c2)CC1 ZINC000649350445 452034230 /nfs/dbraw/zinc/03/42/30/452034230.db2.gz DKTCILVUUYGRML-INIZCTEOSA-N 1 3 338.883 1.484 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CNCCOC2)CC1 ZINC000649378553 452051932 /nfs/dbraw/zinc/05/19/32/452051932.db2.gz IVDZSPTXAQEDSU-WMZOPIPTSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CNCCOC2)CC1 ZINC000649378553 452051938 /nfs/dbraw/zinc/05/19/38/452051938.db2.gz IVDZSPTXAQEDSU-WMZOPIPTSA-N 1 3 337.508 1.726 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076537 /nfs/dbraw/zinc/07/65/37/452076537.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076541 /nfs/dbraw/zinc/07/65/41/452076541.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 1 3 342.487 1.997 20 0 EDADHO NS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCC2)c(F)c1 ZINC000647213044 452127475 /nfs/dbraw/zinc/12/74/75/452127475.db2.gz JZTLMPMKNZEPLW-UHFFFAOYSA-N 1 3 343.468 1.829 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649561773 452144896 /nfs/dbraw/zinc/14/48/96/452144896.db2.gz IXVHSNGPJJAGAE-GOSISDBHSA-N 1 3 346.519 1.843 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649561773 452144902 /nfs/dbraw/zinc/14/49/02/452144902.db2.gz IXVHSNGPJJAGAE-GOSISDBHSA-N 1 3 346.519 1.843 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641706471 452211721 /nfs/dbraw/zinc/21/17/21/452211721.db2.gz ACMRIDMPLWOYJL-UHFFFAOYSA-N 1 3 331.464 1.776 20 0 EDADHO COC1CCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460497 452233386 /nfs/dbraw/zinc/23/33/86/452233386.db2.gz ROJZCLNINKMPRR-QUCCMNQESA-N 1 3 345.487 1.943 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645249667 452235340 /nfs/dbraw/zinc/23/53/40/452235340.db2.gz FJSCACIUQHPISW-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645249667 452235347 /nfs/dbraw/zinc/23/53/47/452235347.db2.gz FJSCACIUQHPISW-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647541641 452273732 /nfs/dbraw/zinc/27/37/32/452273732.db2.gz VZTXTBCYUQWHCJ-SFHVURJKSA-N 1 3 332.492 1.107 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H]2C[C@@H](N)C2(C)C)cc1 ZINC000641805448 452283529 /nfs/dbraw/zinc/28/35/29/452283529.db2.gz OESHCYCSWKPDDP-CABCVRRESA-N 1 3 341.477 1.031 20 0 EDADHO COc1ccc([C@H](CNC(=O)CCC2C[NH2+]C2)N2CCCC2)cc1 ZINC000638048259 452315095 /nfs/dbraw/zinc/31/50/95/452315095.db2.gz CJKKDSYDUHAIOD-SFHVURJKSA-N 1 3 331.460 1.948 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652125372 452322522 /nfs/dbraw/zinc/32/25/22/452322522.db2.gz QBUSGNAKWJCFSX-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO COc1cccc([C@@H](CNC(=O)CCC2C[NH2+]C2)N2CCCC2)c1 ZINC000638051643 452324836 /nfs/dbraw/zinc/32/48/36/452324836.db2.gz NMVPKQKRBLCCJN-GOSISDBHSA-N 1 3 331.460 1.948 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000665759517 452327161 /nfs/dbraw/zinc/32/71/61/452327161.db2.gz JERWNPBKKYZBIU-BQFCYCMXSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000665759517 452327166 /nfs/dbraw/zinc/32/71/66/452327166.db2.gz JERWNPBKKYZBIU-BQFCYCMXSA-N 1 3 342.528 1.499 20 0 EDADHO CCC[NH+]1CCC(NC(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638053527 452333033 /nfs/dbraw/zinc/33/30/33/452333033.db2.gz BIXWLTQRVILYFZ-SFHVURJKSA-N 1 3 332.492 1.436 20 0 EDADHO C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762582 452339118 /nfs/dbraw/zinc/33/91/18/452339118.db2.gz JECFUXDASDAIPI-ULQDDVLXSA-N 1 3 342.528 1.593 20 0 EDADHO C[C@H](O)C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762582 452339122 /nfs/dbraw/zinc/33/91/22/452339122.db2.gz JECFUXDASDAIPI-ULQDDVLXSA-N 1 3 342.528 1.593 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481209 452341486 /nfs/dbraw/zinc/34/14/86/452341486.db2.gz GTDOWONPFFBHFL-JGWYNZBZSA-N 1 3 328.460 1.558 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccnn1-c1ccncc1 ZINC000657574079 452342051 /nfs/dbraw/zinc/34/20/51/452342051.db2.gz YZGVHQZGTOQMHM-INIZCTEOSA-N 1 3 330.480 1.629 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1[C@H](C)CO ZINC000665763441 452343397 /nfs/dbraw/zinc/34/33/97/452343397.db2.gz AVXCZPYPMQGGDT-IKGGRYGDSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@H]1[C@H](C)CO ZINC000665763441 452343409 /nfs/dbraw/zinc/34/34/09/452343409.db2.gz AVXCZPYPMQGGDT-IKGGRYGDSA-N 1 3 342.528 1.451 20 0 EDADHO CCCCN(C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652151092 452345880 /nfs/dbraw/zinc/34/58/80/452345880.db2.gz IQAZLRIJLJBQJR-ULQDDVLXSA-N 1 3 340.512 1.646 20 0 EDADHO CCC(=O)N1CCC([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000657594604 452360357 /nfs/dbraw/zinc/36/03/57/452360357.db2.gz JAEUDTSYLNARIJ-LJQANCHMSA-N 1 3 345.487 1.744 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638064707 452364081 /nfs/dbraw/zinc/36/40/81/452364081.db2.gz VWCNNAIXZKMETI-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638064707 452364093 /nfs/dbraw/zinc/36/40/93/452364093.db2.gz VWCNNAIXZKMETI-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO OCCO[C@]1(C[NH2+]C2CCN(C3CCCCC3)CC2)CCOC1 ZINC000657598943 452371473 /nfs/dbraw/zinc/37/14/73/452371473.db2.gz WBCIRWPZVFZIBG-SFHVURJKSA-N 1 3 326.481 1.541 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638073558 452384514 /nfs/dbraw/zinc/38/45/14/452384514.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638073558 452384523 /nfs/dbraw/zinc/38/45/23/452384523.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 1 3 330.476 1.189 20 0 EDADHO Cn1cncc1CCCN1C[C@@H]2C[C@H]1C[N@@H+]2CCCc1cncn1C ZINC000640049930 452390984 /nfs/dbraw/zinc/39/09/84/452390984.db2.gz UTFRAMACJDKHDO-OALUTQOASA-N 1 3 342.491 1.478 20 0 EDADHO Cn1cncc1CCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCc1cncn1C ZINC000640049930 452390992 /nfs/dbraw/zinc/39/09/92/452390992.db2.gz UTFRAMACJDKHDO-OALUTQOASA-N 1 3 342.491 1.478 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535854 452395892 /nfs/dbraw/zinc/39/58/92/452395892.db2.gz LGJGJSCBZQILNH-QZTJIDSGSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659554948 452412094 /nfs/dbraw/zinc/41/20/94/452412094.db2.gz XKLPLAFQFDIMJL-YOEHRIQHSA-N 1 3 334.464 1.180 20 0 EDADHO C[C@@H]1NCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@H]1C ZINC000659582174 452438055 /nfs/dbraw/zinc/43/80/55/452438055.db2.gz QFIFDXFTHFBKDB-WRFANHODSA-N 1 3 334.439 1.663 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659607904 452463259 /nfs/dbraw/zinc/46/32/59/452463259.db2.gz HKIXKYUDVJHMKM-SJLPKXTDSA-N 1 3 336.480 1.025 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616702 452475087 /nfs/dbraw/zinc/47/50/87/452475087.db2.gz IRQQHPLRORLFAM-UHFFFAOYSA-N 1 3 344.503 1.944 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313854 452488637 /nfs/dbraw/zinc/48/86/37/452488637.db2.gz LHEPVDTYQIWGIS-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)CN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361563 452541934 /nfs/dbraw/zinc/54/19/34/452541934.db2.gz KGQGEACELYOKCH-JQHSSLGASA-N 1 3 337.508 1.994 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360874 452542499 /nfs/dbraw/zinc/54/24/99/452542499.db2.gz SMYFWMSUNNCHKN-PVAVHDDUSA-N 1 3 342.443 1.555 20 0 EDADHO CC(C)N(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360187 452542582 /nfs/dbraw/zinc/54/25/82/452542582.db2.gz CGHMRMWXICGPSA-GVDBMIGSSA-N 1 3 325.497 1.993 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CCCO1 ZINC000655760072 452561582 /nfs/dbraw/zinc/56/15/82/452561582.db2.gz WVDFHNDVLKGOFT-SJLPKXTDSA-N 1 3 325.497 1.330 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]C2CCN([C@H]3CCOC3)CC2)CCCO1 ZINC000655760070 452562756 /nfs/dbraw/zinc/56/27/56/452562756.db2.gz WVDFHNDVLKGOFT-AEFFLSMTSA-N 1 3 325.497 1.330 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654734994 452859835 /nfs/dbraw/zinc/85/98/35/452859835.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654734994 452859841 /nfs/dbraw/zinc/85/98/41/452859841.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734992 452860771 /nfs/dbraw/zinc/86/07/71/452860771.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734992 452860779 /nfs/dbraw/zinc/86/07/79/452860779.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 1 3 338.496 1.149 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654758956 452890360 /nfs/dbraw/zinc/89/03/60/452890360.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000654758956 452890368 /nfs/dbraw/zinc/89/03/68/452890368.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000645915856 452897187 /nfs/dbraw/zinc/89/71/87/452897187.db2.gz HHVUFHIEWMEVHF-ARFHVFGLSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000645915856 452897197 /nfs/dbraw/zinc/89/71/97/452897197.db2.gz HHVUFHIEWMEVHF-ARFHVFGLSA-N 1 3 342.553 1.938 20 0 EDADHO c1cc(CN2CCN(CC3CCOCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662265675 452996720 /nfs/dbraw/zinc/99/67/20/452996720.db2.gz YJTLTJBLONWAAP-UHFFFAOYSA-N 1 3 329.488 1.877 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666633517 453026852 /nfs/dbraw/zinc/02/68/52/453026852.db2.gz HCTLJBHYQYELAC-OAHLLOKOSA-N 1 3 346.475 1.855 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666633517 453026861 /nfs/dbraw/zinc/02/68/61/453026861.db2.gz HCTLJBHYQYELAC-OAHLLOKOSA-N 1 3 346.475 1.855 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664910 453051455 /nfs/dbraw/zinc/05/14/55/453051455.db2.gz PRMNAZRKIIEUMC-INIZCTEOSA-N 1 3 331.464 1.622 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664910 453051466 /nfs/dbraw/zinc/05/14/66/453051466.db2.gz PRMNAZRKIIEUMC-INIZCTEOSA-N 1 3 331.464 1.622 20 0 EDADHO Nc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662338251 453056588 /nfs/dbraw/zinc/05/65/88/453056588.db2.gz PJMGYHNRIXWQDC-MRXNPFEDSA-N 1 3 340.475 1.781 20 0 EDADHO Nc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662338251 453056595 /nfs/dbraw/zinc/05/65/95/453056595.db2.gz PJMGYHNRIXWQDC-MRXNPFEDSA-N 1 3 340.475 1.781 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CN)c2)([NH+](C)C)C1 ZINC000666690753 453068159 /nfs/dbraw/zinc/06/81/59/453068159.db2.gz FYWJNWLVTRVYMQ-IFXJQAMLSA-N 1 3 346.475 1.711 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383724 453092576 /nfs/dbraw/zinc/09/25/76/453092576.db2.gz MQRPSSWURKWHGX-QZTJIDSGSA-N 1 3 332.492 1.479 20 0 EDADHO CN(CC1CN(C)C1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000658541372 453098960 /nfs/dbraw/zinc/09/89/60/453098960.db2.gz LTAZHSUUMXAVNU-QGZVFWFLSA-N 1 3 344.459 1.194 20 0 EDADHO CC(C)CN1CCO[C@H](Cn2cc(-c3ccc(C[NH3+])cc3)nn2)C1 ZINC000656448098 453188941 /nfs/dbraw/zinc/18/89/41/453188941.db2.gz GGHSXJBNSMGSNJ-KRWDZBQOSA-N 1 3 329.448 1.761 20 0 EDADHO CCNCc1ccn(Cc2cn(CCC[NH+]3CCSCC3)nn2)n1 ZINC000656449575 453192043 /nfs/dbraw/zinc/19/20/43/453192043.db2.gz BWUFAFXMAVCKEV-UHFFFAOYSA-N 1 3 349.508 1.071 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)N1CCN(C)CC1 ZINC000662479392 453192466 /nfs/dbraw/zinc/19/24/66/453192466.db2.gz HNPNYAUWABPRQP-RTBURBONSA-N 1 3 344.503 1.609 20 0 EDADHO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666935278 453260678 /nfs/dbraw/zinc/26/06/78/453260678.db2.gz NMJIHMMIOFZUBK-UHFFFAOYSA-N 1 3 346.475 1.664 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000664630442 453267665 /nfs/dbraw/zinc/26/76/65/453267665.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 1 3 339.528 1.208 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666974263 453290773 /nfs/dbraw/zinc/29/07/73/453290773.db2.gz MGGTZUIDZUILBF-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666974263 453290781 /nfs/dbraw/zinc/29/07/81/453290781.db2.gz MGGTZUIDZUILBF-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CC[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CCc2ccccc2C1 ZINC000653109820 453296291 /nfs/dbraw/zinc/29/62/91/453296291.db2.gz NZCJIEXANISWHI-NSHGMRRFSA-N 1 3 343.471 1.176 20 0 EDADHO CN(C(=O)[C@H]1CCC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000653113438 453302259 /nfs/dbraw/zinc/30/22/59/453302259.db2.gz BVQBZYLDJNSLDI-KRWDZBQOSA-N 1 3 344.503 1.937 20 0 EDADHO CCn1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000651222170 453374821 /nfs/dbraw/zinc/37/48/21/453374821.db2.gz PQAWWFXJVRFYBJ-QGZVFWFLSA-N 1 3 335.496 1.320 20 0 EDADHO CCn1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000651222170 453374829 /nfs/dbraw/zinc/37/48/29/453374829.db2.gz PQAWWFXJVRFYBJ-QGZVFWFLSA-N 1 3 335.496 1.320 20 0 EDADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CO2 ZINC000651228296 453378065 /nfs/dbraw/zinc/37/80/65/453378065.db2.gz OFTMFYLRQPKVFR-DLBZAZTESA-N 1 3 345.487 1.757 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000662675843 453393560 /nfs/dbraw/zinc/39/35/60/453393560.db2.gz TZQQCHXGUZWQBC-MRXNPFEDSA-N 1 3 334.464 1.695 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662685932 453405894 /nfs/dbraw/zinc/40/58/94/453405894.db2.gz IUHPRKRGXJHHOZ-KSZLIROESA-N 1 3 329.444 1.922 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662715370 453439477 /nfs/dbraw/zinc/43/94/77/453439477.db2.gz NGVNRJCRYHWPJJ-GJZGRUSLSA-N 1 3 334.468 1.197 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000653258753 453441772 /nfs/dbraw/zinc/44/17/72/453441772.db2.gz NEPJUOJKNGABCS-OWYHZJEWSA-N 1 3 343.471 1.761 20 0 EDADHO N[C@H](CC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261496 453444222 /nfs/dbraw/zinc/44/42/22/453444222.db2.gz SGOBYGDWLCCCKB-BDXSIMOUSA-N 1 3 331.460 1.964 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COc2ccccc21 ZINC000664914960 453480256 /nfs/dbraw/zinc/48/02/56/453480256.db2.gz CUGOOVUHKLXHJI-JKSUJKDBSA-N 1 3 348.491 1.734 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COc2ccccc21 ZINC000664914960 453480259 /nfs/dbraw/zinc/48/02/59/453480259.db2.gz CUGOOVUHKLXHJI-JKSUJKDBSA-N 1 3 348.491 1.734 20 0 EDADHO CCCN1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660692346 453517326 /nfs/dbraw/zinc/51/73/26/453517326.db2.gz OTYSJQNMMHQKIM-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793412 453529210 /nfs/dbraw/zinc/52/92/10/453529210.db2.gz GZSGPGKJPJWFKT-HOCLYGCPSA-N 1 3 332.448 1.698 20 0 EDADHO C[NH+](C)C1CCN(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659031115 453589402 /nfs/dbraw/zinc/58/94/02/453589402.db2.gz KGGHXCJOZCJANZ-QGZVFWFLSA-N 1 3 332.448 1.905 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1csnn1 ZINC000665150127 453592320 /nfs/dbraw/zinc/59/23/20/453592320.db2.gz QRPNKEQBEUOFTF-NWDGAFQWSA-N 1 3 328.486 1.170 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1csnn1 ZINC000665150127 453592325 /nfs/dbraw/zinc/59/23/25/453592325.db2.gz QRPNKEQBEUOFTF-NWDGAFQWSA-N 1 3 328.486 1.170 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659096078 453628975 /nfs/dbraw/zinc/62/89/75/453628975.db2.gz KSGYGKXCQCGVSH-SWLSCSKDSA-N 1 3 332.448 1.634 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCO1 ZINC000665355173 453663432 /nfs/dbraw/zinc/66/34/32/453663432.db2.gz LUNGOWFZRPSHAF-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CNC(C)C)cc1 ZINC000659279191 453696946 /nfs/dbraw/zinc/69/69/46/453696946.db2.gz XJURXWRDNARAAE-UHFFFAOYSA-N 1 3 334.464 1.695 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(N)CC3(CCC3)C2)[C@H](C)C1 ZINC000659285311 453700769 /nfs/dbraw/zinc/70/07/69/453700769.db2.gz LWODHGVKNONGPE-HZPDHXFCSA-N 1 3 337.508 1.901 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(N)CC3(CCC3)C2)[C@H](C)C1 ZINC000659285311 453700771 /nfs/dbraw/zinc/70/07/71/453700771.db2.gz LWODHGVKNONGPE-HZPDHXFCSA-N 1 3 337.508 1.901 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657347032 453771540 /nfs/dbraw/zinc/77/15/40/453771540.db2.gz MJBKJTAHDPTVIR-KRWDZBQOSA-N 1 3 342.491 1.631 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000382725513 486696166 /nfs/dbraw/zinc/69/61/66/486696166.db2.gz SHAPIYCLQQEBIE-INIZCTEOSA-N 1 3 331.460 1.488 20 0 EDADHO COC1CCN(CCNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000680312728 486747614 /nfs/dbraw/zinc/74/76/14/486747614.db2.gz IGAHPCVZOGRSKQ-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417522335 486800209 /nfs/dbraw/zinc/80/02/09/486800209.db2.gz GCLHLMPBXJGZGG-IRXDYDNUSA-N 1 3 348.491 1.739 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]34C[C@@H]3COC4(C)C)CC2)CC1 ZINC000667641876 486893634 /nfs/dbraw/zinc/89/36/34/486893634.db2.gz GTLYDFQVONYQIX-AUUYWEPGSA-N 1 3 335.492 1.476 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(CO)cc3)CC2)CC1 ZINC000667642018 486893646 /nfs/dbraw/zinc/89/36/46/486893646.db2.gz MAYJSIJDNLHWED-UHFFFAOYSA-N 1 3 331.460 1.467 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@H](C)C1 ZINC000667799542 486970584 /nfs/dbraw/zinc/97/05/84/486970584.db2.gz XQMILADSTMMXEY-DYVFJYSZSA-N 1 3 331.464 1.921 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@H](C)C1 ZINC000667799542 486970589 /nfs/dbraw/zinc/97/05/89/486970589.db2.gz XQMILADSTMMXEY-DYVFJYSZSA-N 1 3 331.464 1.921 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000667812457 486977981 /nfs/dbraw/zinc/97/79/81/486977981.db2.gz NCYJOJSHRHGJLP-HUUCEWRRSA-N 1 3 348.495 1.099 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000667812457 486977986 /nfs/dbraw/zinc/97/79/86/486977986.db2.gz NCYJOJSHRHGJLP-HUUCEWRRSA-N 1 3 348.495 1.099 20 0 EDADHO C[NH+](C)CCOc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000684419242 487053999 /nfs/dbraw/zinc/05/39/99/487053999.db2.gz FSZGBURIYHOPTN-UHFFFAOYSA-N 1 3 340.489 1.684 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000673775902 487111971 /nfs/dbraw/zinc/11/19/71/487111971.db2.gz FIEXCFYVJXOJSK-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000677712644 487155507 /nfs/dbraw/zinc/15/55/07/487155507.db2.gz RSXMMGHWIFLYCZ-UHFFFAOYSA-N 1 3 338.540 1.735 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000674328721 487237633 /nfs/dbraw/zinc/23/76/33/487237633.db2.gz YDJYBCTVLUSBIL-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000674328721 487237637 /nfs/dbraw/zinc/23/76/37/487237637.db2.gz YDJYBCTVLUSBIL-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000683000078 487440383 /nfs/dbraw/zinc/44/03/83/487440383.db2.gz WNGMGOXLTMRVSX-QGZVFWFLSA-N 1 3 331.460 1.824 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000502559152 487458222 /nfs/dbraw/zinc/45/82/22/487458222.db2.gz NDXLLJKDJSONPJ-BZSNNMDCSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000502559152 487458224 /nfs/dbraw/zinc/45/82/24/487458224.db2.gz NDXLLJKDJSONPJ-BZSNNMDCSA-N 1 3 337.508 1.963 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459475 /nfs/dbraw/zinc/45/94/75/487459475.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459477 /nfs/dbraw/zinc/45/94/77/487459477.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459479 /nfs/dbraw/zinc/45/94/79/487459479.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 1 3 341.540 1.824 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669513913 485478873 /nfs/dbraw/zinc/47/88/73/485478873.db2.gz VRZMAHWGIBNEOY-DOTOQJQBSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528965 485503957 /nfs/dbraw/zinc/50/39/57/485503957.db2.gz XXXVWUUDBVBCSQ-RNJTYBCJSA-N 1 3 328.460 1.524 20 0 EDADHO [NH3+]C/C=C/CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570381 485589559 /nfs/dbraw/zinc/58/95/59/485589559.db2.gz CNXZVBYEEKUCCM-LAQIPUCWSA-N 1 3 332.448 1.092 20 0 EDADHO CC[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000669570887 485592052 /nfs/dbraw/zinc/59/20/52/485592052.db2.gz HVRLZPSLAGOGPP-OAGGEKHMSA-N 1 3 326.485 1.256 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491341 486263734 /nfs/dbraw/zinc/26/37/34/486263734.db2.gz WBXISBVEENIEDG-FGTMMUONSA-N 1 3 334.508 1.892 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602319 486645162 /nfs/dbraw/zinc/64/51/62/486645162.db2.gz LEVOBMUKQAHFRZ-HOCLYGCPSA-N 1 3 341.377 1.919 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@H](C)C1 ZINC000120898106 490998519 /nfs/dbraw/zinc/99/85/19/490998519.db2.gz QVWJCRAPTNHVNY-ZBFHGGJFSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@H](C)C1 ZINC000120898106 490998520 /nfs/dbraw/zinc/99/85/20/490998520.db2.gz QVWJCRAPTNHVNY-ZBFHGGJFSA-N 1 3 336.484 1.639 20 0 EDADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000422837283 517380229 /nfs/dbraw/zinc/38/02/29/517380229.db2.gz LTZOJKVHKCCRFZ-IRXDYDNUSA-N 1 3 338.540 1.863 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861490 535594932 /nfs/dbraw/zinc/59/49/32/535594932.db2.gz QVSYZKFQTVFCLW-HOCLYGCPSA-N 1 3 336.484 1.528 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861490 535594937 /nfs/dbraw/zinc/59/49/37/535594937.db2.gz QVSYZKFQTVFCLW-HOCLYGCPSA-N 1 3 336.484 1.528 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1(C)C ZINC000262294788 535650350 /nfs/dbraw/zinc/65/03/50/535650350.db2.gz WKZAFAJZVXVUKK-RCJHGTSTSA-N 1 3 331.460 1.472 20 0 EDADHO CCN1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738589 /nfs/dbraw/zinc/73/85/89/535738589.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738593 /nfs/dbraw/zinc/73/85/93/535738593.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@@H]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738597 /nfs/dbraw/zinc/73/85/97/535738597.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO CCN1CCN([C@@H]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738602 /nfs/dbraw/zinc/73/86/02/535738602.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000237172186 535890123 /nfs/dbraw/zinc/89/01/23/535890123.db2.gz NOCZVWGMDJWLFJ-IBGZPJMESA-N 1 3 346.475 1.126 20 0 EDADHO CN(C)Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000261710265 535994698 /nfs/dbraw/zinc/99/46/98/535994698.db2.gz IVJIMTUAQPTIPA-AWEZNQCLSA-N 1 3 329.404 1.166 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C1 ZINC000346007923 536777812 /nfs/dbraw/zinc/77/78/12/536777812.db2.gz IHDBEOWTAUGLIA-ROUUACIJSA-N 1 3 348.491 1.609 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000247313771 536861079 /nfs/dbraw/zinc/86/10/79/536861079.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000247313771 536861086 /nfs/dbraw/zinc/86/10/86/536861086.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 1 3 340.512 1.374 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCNC(C)(C)C2)cc1 ZINC000333677741 536893140 /nfs/dbraw/zinc/89/31/40/536893140.db2.gz OHCQULIBVLVIDG-IRXDYDNUSA-N 1 3 346.475 1.534 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000743316730 579475859 /nfs/dbraw/zinc/47/58/59/579475859.db2.gz YDGMZYHCNDZKRY-WBVHZDCISA-N 1 3 325.497 1.770 20 0 EDADHO CN1CCC(NC(=S)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000729646531 578586259 /nfs/dbraw/zinc/58/62/59/578586259.db2.gz BEJWHNUUTZWCED-UHFFFAOYSA-N 1 3 340.537 1.190 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434554 579726665 /nfs/dbraw/zinc/72/66/65/579726665.db2.gz ATVFQSHXEVSPQU-CRAIPNDOSA-N 1 3 341.496 1.726 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000749491663 579728569 /nfs/dbraw/zinc/72/85/69/579728569.db2.gz WWWOXTFNYOMNCC-OWCLPIDISA-N 1 3 341.496 1.821 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000749491663 579728570 /nfs/dbraw/zinc/72/85/70/579728570.db2.gz WWWOXTFNYOMNCC-OWCLPIDISA-N 1 3 341.496 1.821 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000751080703 579793667 /nfs/dbraw/zinc/79/36/67/579793667.db2.gz COZJLTCDMSKUGY-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=S)NCCC[NH+](C)C ZINC000764931544 580131542 /nfs/dbraw/zinc/13/15/42/580131542.db2.gz PYAXPZAIRISDFG-NVXWUHKLSA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801484 580679630 /nfs/dbraw/zinc/67/96/30/580679630.db2.gz RJCSPYNVEAOEEA-PBHICJAKSA-N 1 3 332.448 1.324 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290966 580766087 /nfs/dbraw/zinc/76/60/87/580766087.db2.gz RJPMLMMVNITIPM-CVEARBPZSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC2(CCCN([C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000799178622 581021424 /nfs/dbraw/zinc/02/14/24/581021424.db2.gz YTPMJQQFDPPFET-KRWDZBQOSA-N 1 3 335.492 1.574 20 0 EDADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000892049770 590772218 /nfs/dbraw/zinc/77/22/18/590772218.db2.gz YZZQXLOVNSPJOY-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000892077696 590788525 /nfs/dbraw/zinc/78/85/25/590788525.db2.gz KAWZWPQYVPIUAK-SZMVWBNQSA-N 1 3 330.476 1.867 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262721 590894638 /nfs/dbraw/zinc/89/46/38/590894638.db2.gz VDUITJRYEZPALE-TVRKMHQQSA-N 1 3 328.460 1.621 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892329477 590952537 /nfs/dbraw/zinc/95/25/37/590952537.db2.gz BIKFMZAMGXUTBT-FQEVSTJZSA-N 1 3 342.487 1.960 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000892490150 591047071 /nfs/dbraw/zinc/04/70/71/591047071.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000892490150 591047074 /nfs/dbraw/zinc/04/70/74/591047074.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2CN1)[NH+]1CCCCC1 ZINC000891395966 591066872 /nfs/dbraw/zinc/06/68/72/591066872.db2.gz CHHNMQRLMDKNHZ-YJBOKZPZSA-N 1 3 330.476 1.875 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)NCc3cc(N)ccn3)CC2)CC1 ZINC000891461240 591079240 /nfs/dbraw/zinc/07/92/40/591079240.db2.gz KTGZDSLPAKRYOF-UHFFFAOYSA-N 1 3 346.479 1.022 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513555 591100839 /nfs/dbraw/zinc/10/08/39/591100839.db2.gz DVWIYADFMHLPDL-NUJGCVRESA-N 1 3 336.480 1.025 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642855 591163912 /nfs/dbraw/zinc/16/39/12/591163912.db2.gz AALSZADIGDBCBT-NRSFXHEJSA-N 1 3 330.476 1.934 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892808201 591187102 /nfs/dbraw/zinc/18/71/02/591187102.db2.gz LZBKNCGVZNGFIU-CRAIPNDOSA-N 1 3 330.476 1.684 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892808201 591187103 /nfs/dbraw/zinc/18/71/03/591187103.db2.gz LZBKNCGVZNGFIU-CRAIPNDOSA-N 1 3 330.476 1.684 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817561 591192770 /nfs/dbraw/zinc/19/27/70/591192770.db2.gz DZMHQCFHKXNHEE-IAGOWNOFSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781445 591274052 /nfs/dbraw/zinc/27/40/52/591274052.db2.gz TYULQLNTFUUJHM-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781445 591274054 /nfs/dbraw/zinc/27/40/54/591274054.db2.gz TYULQLNTFUUJHM-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CNC1CCS(=O)CC1 ZINC000894522618 591334147 /nfs/dbraw/zinc/33/41/47/591334147.db2.gz LXJIERPSVXZNKJ-UHFFFAOYSA-N 1 3 325.478 1.413 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442783 591454391 /nfs/dbraw/zinc/45/43/91/591454391.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442783 591454396 /nfs/dbraw/zinc/45/43/96/591454396.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515138 591515246 /nfs/dbraw/zinc/51/52/46/591515246.db2.gz JRTUQYPIPQXKCO-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897546038 591545092 /nfs/dbraw/zinc/54/50/92/591545092.db2.gz WGRJUKDMDSWIEV-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897546038 591545093 /nfs/dbraw/zinc/54/50/93/591545093.db2.gz WGRJUKDMDSWIEV-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897592338 591573273 /nfs/dbraw/zinc/57/32/73/591573273.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 1 3 342.487 1.677 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897592338 591573276 /nfs/dbraw/zinc/57/32/76/591573276.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 1 3 342.487 1.677 20 0 EDADHO C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000898120937 591788606 /nfs/dbraw/zinc/78/86/06/591788606.db2.gz DLKZTRFMBNXKNX-BZUAXINKSA-N 1 3 337.508 1.601 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000899952551 591838845 /nfs/dbraw/zinc/83/88/45/591838845.db2.gz JSDRJGFPHJJMMQ-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000899980539 591851024 /nfs/dbraw/zinc/85/10/24/591851024.db2.gz DDRIYVDCJANWNL-UHFFFAOYSA-N 1 3 328.460 1.863 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333449 591875660 /nfs/dbraw/zinc/87/56/60/591875660.db2.gz TVILHWKWQZMIKG-WBVHZDCISA-N 1 3 348.491 1.972 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333449 591875661 /nfs/dbraw/zinc/87/56/61/591875661.db2.gz TVILHWKWQZMIKG-WBVHZDCISA-N 1 3 348.491 1.972 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NCC2(N3CCOCC3)CCOCC2)C1 ZINC000902390108 591989933 /nfs/dbraw/zinc/98/99/33/591989933.db2.gz HDGYOTIGYJFBAI-INIZCTEOSA-N 1 3 325.497 1.236 20 0 EDADHO CC1(C)CNCC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C1 ZINC000902390108 591989935 /nfs/dbraw/zinc/98/99/35/591989935.db2.gz HDGYOTIGYJFBAI-INIZCTEOSA-N 1 3 325.497 1.236 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900352964 591992936 /nfs/dbraw/zinc/99/29/36/591992936.db2.gz KEESAIWWTKRPPJ-DFGXFYAUSA-N 1 3 325.497 1.316 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900352964 591992937 /nfs/dbraw/zinc/99/29/37/591992937.db2.gz KEESAIWWTKRPPJ-DFGXFYAUSA-N 1 3 325.497 1.316 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000900539103 592051290 /nfs/dbraw/zinc/05/12/90/592051290.db2.gz BHFVVTQNWXGVMM-MRXNPFEDSA-N 1 3 333.480 1.535 20 0 EDADHO CN(C)C(=O)c1cccc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000902809114 592067939 /nfs/dbraw/zinc/06/79/39/592067939.db2.gz AMYKQDSSLZYJKX-JKSUJKDBSA-N 1 3 346.431 1.250 20 0 EDADHO CN(C)C(=O)c1cccc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000902809114 592067942 /nfs/dbraw/zinc/06/79/42/592067942.db2.gz AMYKQDSSLZYJKX-JKSUJKDBSA-N 1 3 346.431 1.250 20 0 EDADHO CC(=O)c1ccccc1OCCONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811510 592068839 /nfs/dbraw/zinc/06/88/39/592068839.db2.gz XNUOOLZDRUEYBA-WMLDXEAASA-N 1 3 347.415 1.630 20 0 EDADHO CC(=O)c1ccccc1OCCONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811510 592068842 /nfs/dbraw/zinc/06/88/42/592068842.db2.gz XNUOOLZDRUEYBA-WMLDXEAASA-N 1 3 347.415 1.630 20 0 EDADHO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)NCCN(C)C ZINC000902922804 592085206 /nfs/dbraw/zinc/08/52/06/592085206.db2.gz ZANQKPHIGFFAEQ-UXJCHEOYSA-N 1 3 337.508 1.482 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000900687730 592094967 /nfs/dbraw/zinc/09/49/67/592094967.db2.gz XOFXNWZBLFWGRZ-UHFFFAOYSA-N 1 3 349.479 1.039 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425082 592171342 /nfs/dbraw/zinc/17/13/42/592171342.db2.gz QWOSEEWVQIHDDE-HUUCEWRRSA-N 1 3 345.443 1.358 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cs1 ZINC000903505445 592181908 /nfs/dbraw/zinc/18/19/08/592181908.db2.gz BSIDCGGZQKYNOS-IYBDPMFKSA-N 1 3 349.500 1.935 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cs1 ZINC000903505445 592181910 /nfs/dbraw/zinc/18/19/10/592181910.db2.gz BSIDCGGZQKYNOS-IYBDPMFKSA-N 1 3 349.500 1.935 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cs1 ZINC000903505445 592181911 /nfs/dbraw/zinc/18/19/11/592181911.db2.gz BSIDCGGZQKYNOS-IYBDPMFKSA-N 1 3 349.500 1.935 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496146 592187744 /nfs/dbraw/zinc/18/77/44/592187744.db2.gz HLZBLXAQIWCFMC-GDBMZVCRSA-N 1 3 349.475 1.579 20 0 EDADHO C[C@@H](C(=O)Nc1nccs1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508527 592189566 /nfs/dbraw/zinc/18/95/66/592189566.db2.gz KHEDWOKBIXPREY-AEGPPILISA-N 1 3 349.504 1.371 20 0 EDADHO C[C@@H](C(=O)Nc1nccs1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508527 592189568 /nfs/dbraw/zinc/18/95/68/592189568.db2.gz KHEDWOKBIXPREY-AEGPPILISA-N 1 3 349.504 1.371 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000901024970 592203000 /nfs/dbraw/zinc/20/30/00/592203000.db2.gz YCMFYDARGUATRG-SFHVURJKSA-N 1 3 338.540 1.497 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000901024970 592203002 /nfs/dbraw/zinc/20/30/02/592203002.db2.gz YCMFYDARGUATRG-SFHVURJKSA-N 1 3 338.540 1.497 20 0 EDADHO Fc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CCNCC3)o2)c1 ZINC000904334413 592233692 /nfs/dbraw/zinc/23/36/92/592233692.db2.gz VMBDDZRLEXAYNF-GOSISDBHSA-N 1 3 344.434 1.975 20 0 EDADHO [NH3+]CCN1CCC(N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000904366487 592242356 /nfs/dbraw/zinc/24/23/56/592242356.db2.gz LZKKDBYVRNAMBM-HNNXBMFYSA-N 1 3 336.867 1.458 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906706286 592278570 /nfs/dbraw/zinc/27/85/70/592278570.db2.gz LZDXCYVBWMUNBY-INIZCTEOSA-N 1 3 346.475 1.581 20 0 EDADHO CC1CCN(C(=O)C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722246 592284304 /nfs/dbraw/zinc/28/43/04/592284304.db2.gz JKBNRDGFBXOJSR-UYAOXDASSA-N 1 3 349.519 1.726 20 0 EDADHO O=C(NC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726535 592285101 /nfs/dbraw/zinc/28/51/01/592285101.db2.gz MQOQKVRWARSWIS-FUHWJXTLSA-N 1 3 349.500 1.711 20 0 EDADHO CN(C[C@H](O)COCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727146 592285934 /nfs/dbraw/zinc/28/59/34/592285934.db2.gz RDAXZMQQQNJKFP-GBESFXJTSA-N 1 3 334.460 1.265 20 0 EDADHO O=C(NC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726963 592286389 /nfs/dbraw/zinc/28/63/89/592286389.db2.gz PPXAWFZKIYVOPT-QUCCMNQESA-N 1 3 349.519 1.916 20 0 EDADHO C(OC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731761 592288392 /nfs/dbraw/zinc/28/83/92/592288392.db2.gz CLCROIQIBIDKRB-QYZOEREBSA-N 1 3 338.492 1.805 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000906720960 592289882 /nfs/dbraw/zinc/28/98/82/592289882.db2.gz FMHNKHGPMUHJEX-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740015 592301996 /nfs/dbraw/zinc/30/19/96/592301996.db2.gz RQKVMZAPTIHLFB-RLLQIKCJSA-N 1 3 329.488 1.961 20 0 EDADHO NC(=O)c1cn[nH]c1[C@H]1CCCCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779827 592320334 /nfs/dbraw/zinc/32/03/34/592320334.db2.gz BPWIWWBRRQIGGM-UKRRQHHQSA-N 1 3 347.463 1.194 20 0 EDADHO C[C@H](C(=O)N1CCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898544 592368487 /nfs/dbraw/zinc/36/84/87/592368487.db2.gz PBHJPGACDIOGTC-CSNJMZFVSA-N 1 3 334.508 1.146 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C)[C@H](n3ccnc3)C2)cnn1C ZINC000903898745 592369361 /nfs/dbraw/zinc/36/93/61/592369361.db2.gz OKKGYCGJVPAKGF-YXJHDRRASA-N 1 3 330.480 1.626 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000908231003 592394722 /nfs/dbraw/zinc/39/47/22/592394722.db2.gz VJZZPSKFKSOCJE-IMFGXOCKSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000908231003 592394727 /nfs/dbraw/zinc/39/47/27/592394727.db2.gz VJZZPSKFKSOCJE-IMFGXOCKSA-N 1 3 345.487 1.612 20 0 EDADHO COC(=O)c1coc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980591 592401644 /nfs/dbraw/zinc/40/16/44/592401644.db2.gz VGGAQESRYHGDJB-IYBDPMFKSA-N 1 3 333.432 1.467 20 0 EDADHO COC(=O)c1coc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980591 592401646 /nfs/dbraw/zinc/40/16/46/592401646.db2.gz VGGAQESRYHGDJB-IYBDPMFKSA-N 1 3 333.432 1.467 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1(O)CCCC1 ZINC000905204604 592464105 /nfs/dbraw/zinc/46/41/05/592464105.db2.gz QHHADTVZCABJKV-QZTJIDSGSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1(O)CCCC1 ZINC000905204604 592464112 /nfs/dbraw/zinc/46/41/12/592464112.db2.gz QHHADTVZCABJKV-QZTJIDSGSA-N 1 3 334.460 1.009 20 0 EDADHO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C1(O)CCCC1 ZINC000905357796 592505927 /nfs/dbraw/zinc/50/59/27/592505927.db2.gz BUAPVTQEDSCVRN-GBESFXJTSA-N 1 3 348.487 1.125 20 0 EDADHO OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C1(O)CCCC1 ZINC000905357796 592505930 /nfs/dbraw/zinc/50/59/30/592505930.db2.gz BUAPVTQEDSCVRN-GBESFXJTSA-N 1 3 348.487 1.125 20 0 EDADHO O[C@H](CNCC[C@@H]1CCC2(CCOCC2)CO1)C[NH+]1CCCC1 ZINC000905475102 592536674 /nfs/dbraw/zinc/53/66/74/592536674.db2.gz ZBJNRPHJOAVGOB-SJORKVTESA-N 1 3 326.481 1.399 20 0 EDADHO O[C@@H](CNCC[C@@H]1CCC2(CCOCC2)CO1)C[NH+]1CCCC1 ZINC000905475101 592536762 /nfs/dbraw/zinc/53/67/62/592536762.db2.gz ZBJNRPHJOAVGOB-IRXDYDNUSA-N 1 3 326.481 1.399 20 0 EDADHO CN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC12CCCCC2 ZINC000908573955 592544416 /nfs/dbraw/zinc/54/44/16/592544416.db2.gz BRDIBLROEAYYPR-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C(C)C)N2CCCCC2)CC1 ZINC000908593544 592547482 /nfs/dbraw/zinc/54/74/82/592547482.db2.gz CLOLJTKZTCMVNF-KRWDZBQOSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H]1CN(C(=S)NC2CCN(C)CC2)CCN1c1cc[nH+]cc1 ZINC000905523127 592560305 /nfs/dbraw/zinc/56/03/05/592560305.db2.gz MYXUNWPQJJAUSJ-CQSZACIVSA-N 1 3 333.505 1.561 20 0 EDADHO CCn1cnc2c1ncnc2N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905704381 592616984 /nfs/dbraw/zinc/61/69/84/592616984.db2.gz SNDDQPASJJMIDC-GASCZTMLSA-N 1 3 341.463 1.251 20 0 EDADHO CCn1cnc2c1ncnc2N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905704381 592616986 /nfs/dbraw/zinc/61/69/86/592616986.db2.gz SNDDQPASJJMIDC-GASCZTMLSA-N 1 3 341.463 1.251 20 0 EDADHO CCn1cnc2c1ncnc2N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905704381 592616987 /nfs/dbraw/zinc/61/69/87/592616987.db2.gz SNDDQPASJJMIDC-GASCZTMLSA-N 1 3 341.463 1.251 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905907695 592676842 /nfs/dbraw/zinc/67/68/42/592676842.db2.gz MTBCFOYREXHQSX-MOPGFXCFSA-N 1 3 335.492 1.088 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000910366184 592845402 /nfs/dbraw/zinc/84/54/02/592845402.db2.gz CNCRCNMFDBLYAM-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000910366184 592845404 /nfs/dbraw/zinc/84/54/04/592845404.db2.gz CNCRCNMFDBLYAM-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CNC(=O)Nc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000906581211 592857868 /nfs/dbraw/zinc/85/78/68/592857868.db2.gz UHKXWJHUCJOJOR-UHFFFAOYSA-N 1 3 335.452 1.003 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645901 592865856 /nfs/dbraw/zinc/86/58/56/592865856.db2.gz MSWXVJWZVNQFAG-RBSFLKMASA-N 1 3 346.475 1.566 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000911294060 592982522 /nfs/dbraw/zinc/98/25/22/592982522.db2.gz UTFIZZLYIJSFIS-OAHLLOKOSA-N 1 3 340.512 1.056 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)CCc2ccc(OCCN(C)C)cc2)C1 ZINC000911737188 592993305 /nfs/dbraw/zinc/99/33/05/592993305.db2.gz RKSHDKZQJNFVJT-QGZVFWFLSA-N 1 3 333.476 1.770 20 0 EDADHO C[NH2+]C1CCN(C(=O)/C=C\c2ccc(OCCN(C)C)cc2)CC1 ZINC000911787822 593008655 /nfs/dbraw/zinc/00/86/55/593008655.db2.gz VUPKUYYQIRWFLX-TWGQIWQCSA-N 1 3 331.460 1.851 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnc(-c2ccco2)o1 ZINC000912305361 593085445 /nfs/dbraw/zinc/08/54/45/593085445.db2.gz WYIVMJNKEIWCPA-LBPRGKRZSA-N 1 3 335.408 1.331 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnc(-c2ccco2)o1 ZINC000912305361 593085446 /nfs/dbraw/zinc/08/54/46/593085446.db2.gz WYIVMJNKEIWCPA-LBPRGKRZSA-N 1 3 335.408 1.331 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000912588056 593106642 /nfs/dbraw/zinc/10/66/42/593106642.db2.gz IGSXZGJTNFJJEL-HOTGVXAUSA-N 1 3 325.497 1.458 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894089 593646444 /nfs/dbraw/zinc/64/64/44/593646444.db2.gz AAMOIGXOXKOCRI-LEWSCRJBSA-N 1 3 326.824 1.862 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040604 593735056 /nfs/dbraw/zinc/73/50/56/593735056.db2.gz ODUOCFUOFCULOE-ROUUACIJSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)C3CC3)c2)C1 ZINC000819040604 593735057 /nfs/dbraw/zinc/73/50/57/593735057.db2.gz ODUOCFUOFCULOE-ROUUACIJSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)C3CC3)c2)C1 ZINC000819040604 593735058 /nfs/dbraw/zinc/73/50/58/593735058.db2.gz ODUOCFUOFCULOE-ROUUACIJSA-N 1 3 331.460 1.244 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819174093 593742896 /nfs/dbraw/zinc/74/28/96/593742896.db2.gz OHUWKTQHZDHLBC-RCCFBDPRSA-N 1 3 340.414 1.966 20 0 EDADHO NCc1cccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000830900642 594508930 /nfs/dbraw/zinc/50/89/30/594508930.db2.gz LAEHHOLTVUEXST-UHFFFAOYSA-N 1 3 331.460 1.862 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CCO2 ZINC000826628874 594543189 /nfs/dbraw/zinc/54/31/89/594543189.db2.gz GPOAHFKSEXHTHX-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088768 594553038 /nfs/dbraw/zinc/55/30/38/594553038.db2.gz MIRHHYYCHXVULF-YMAMQOFZSA-N 1 3 325.453 1.180 20 0 EDADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000831127135 594563258 /nfs/dbraw/zinc/56/32/58/594563258.db2.gz CUCVPSMEESSYHZ-JFIYKMOQSA-N 1 3 344.459 1.117 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000841021071 594840715 /nfs/dbraw/zinc/84/07/15/594840715.db2.gz ZBEOVOYQHXOPDY-CQSZACIVSA-N 1 3 344.459 1.261 20 0 EDADHO CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3CNCCCO3)CC2)cc1 ZINC000841087240 594849040 /nfs/dbraw/zinc/84/90/40/594849040.db2.gz SAQINSSCODWILV-IBGZPJMESA-N 1 3 332.492 1.690 20 0 EDADHO CN(C)c1ccc(N2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087240 594849041 /nfs/dbraw/zinc/84/90/41/594849041.db2.gz SAQINSSCODWILV-IBGZPJMESA-N 1 3 332.492 1.690 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846739 594964382 /nfs/dbraw/zinc/96/43/82/594964382.db2.gz MPLJXXKRFPNENP-CJNGLKHVSA-N 1 3 333.432 1.922 20 0 EDADHO O=C(CNCC1CC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847179 594964482 /nfs/dbraw/zinc/96/44/82/594964482.db2.gz RYAZKCCPBYQFPI-UHFFFAOYSA-N 1 3 331.416 1.534 20 0 EDADHO C[C@]1(CNC(=O)NC2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000841899158 594977237 /nfs/dbraw/zinc/97/72/37/594977237.db2.gz SVWQXJRELATYPA-LJQANCHMSA-N 1 3 330.476 1.950 20 0 EDADHO CCCCOC(=O)CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362977 595088042 /nfs/dbraw/zinc/08/80/42/595088042.db2.gz WASJHOARYJXVRB-HZPDHXFCSA-N 1 3 339.480 1.300 20 0 EDADHO NC[C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1 ZINC000843457946 595117823 /nfs/dbraw/zinc/11/78/23/595117823.db2.gz XMEYMDNPNCEZIS-INIZCTEOSA-N 1 3 331.395 1.628 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000844170021 595290195 /nfs/dbraw/zinc/29/01/95/595290195.db2.gz FLQOKJSDPUTSHO-JKSUJKDBSA-N 1 3 325.497 1.770 20 0 EDADHO CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000844220160 595305663 /nfs/dbraw/zinc/30/56/63/595305663.db2.gz AKICAYYJFDFOEK-UHFFFAOYSA-N 1 3 344.503 1.533 20 0 EDADHO CN(C)CCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC000844911249 595412701 /nfs/dbraw/zinc/41/27/01/595412701.db2.gz ATWAPUSWSFJRSD-KSSFIOAISA-N 1 3 344.415 1.164 20 0 EDADHO COC(=O)/C=C/c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000848893361 595464440 /nfs/dbraw/zinc/46/44/40/595464440.db2.gz VCRVWYOFLWIRSX-BQYQJAHWSA-N 1 3 335.448 1.583 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065096 595476959 /nfs/dbraw/zinc/47/69/59/595476959.db2.gz OPDFKMZHBCNETF-HOCLYGCPSA-N 1 3 349.454 1.068 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000849099070 595481919 /nfs/dbraw/zinc/48/19/19/595481919.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 1 3 345.426 1.709 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104849 595482702 /nfs/dbraw/zinc/48/27/02/595482702.db2.gz ZCGHYFPPGGNNRK-ZHALLVOQSA-N 1 3 348.466 1.890 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)c1ccc(OC)cc1 ZINC000849117111 595484440 /nfs/dbraw/zinc/48/44/40/595484440.db2.gz YSIQAPHJONBZNM-HOTGVXAUSA-N 1 3 334.464 1.369 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852830293 595564641 /nfs/dbraw/zinc/56/46/41/595564641.db2.gz TUWNPAGVIHHNKM-BBRMVZONSA-N 1 3 325.416 1.103 20 0 EDADHO CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000852858502 595580028 /nfs/dbraw/zinc/58/00/28/595580028.db2.gz FGHKGAPTMHASMZ-HNNXBMFYSA-N 1 3 330.432 1.043 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602803 595590410 /nfs/dbraw/zinc/59/04/10/595590410.db2.gz QWCQGWJUOXYSRH-DLBZAZTESA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594438 /nfs/dbraw/zinc/59/44/38/595594438.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 1 3 349.523 1.550 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594441 /nfs/dbraw/zinc/59/44/41/595594441.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 1 3 349.523 1.550 20 0 EDADHO COc1cccc([C@H](O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)c1 ZINC000860144193 595594570 /nfs/dbraw/zinc/59/45/70/595594570.db2.gz WANYKXPIRNECAV-UYAOXDASSA-N 1 3 348.487 1.897 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2c(C)nn(C)c2Cl)CC1 ZINC000853247721 595719612 /nfs/dbraw/zinc/71/96/12/595719612.db2.gz YRWJJNIIAIXXJO-UHFFFAOYSA-N 1 3 341.887 1.462 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000861765040 596094921 /nfs/dbraw/zinc/09/49/21/596094921.db2.gz KAZORSKKJNYDBR-KBPBESRZSA-N 1 3 334.464 1.038 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861768604 596095874 /nfs/dbraw/zinc/09/58/74/596095874.db2.gz MASLXTKKTPJIQF-LSDHHAIUSA-N 1 3 346.475 1.134 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCNCCC2(C)C)cc1 ZINC000866803214 596355456 /nfs/dbraw/zinc/35/54/56/596355456.db2.gz RGUFHNPSOOCNPU-UHFFFAOYSA-N 1 3 325.478 1.511 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCNCCC2(C)C)cc1 ZINC000866803214 596355460 /nfs/dbraw/zinc/35/54/60/596355460.db2.gz RGUFHNPSOOCNPU-UHFFFAOYSA-N 1 3 325.478 1.511 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000866809938 596358465 /nfs/dbraw/zinc/35/84/65/596358465.db2.gz QTZRHXDQNTUGFA-MUJYYYPQSA-N 1 3 337.489 1.557 20 0 EDADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000863553609 596616252 /nfs/dbraw/zinc/61/62/52/596616252.db2.gz GMWPRUVNAPFQAI-LSDHHAIUSA-N 1 3 327.469 1.336 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000865818759 596696862 /nfs/dbraw/zinc/69/68/62/596696862.db2.gz ZSBLVLSMPHHYDT-OAHLLOKOSA-N 1 3 339.505 1.600 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000865818759 596696864 /nfs/dbraw/zinc/69/68/64/596696864.db2.gz ZSBLVLSMPHHYDT-OAHLLOKOSA-N 1 3 339.505 1.600 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1C ZINC000868237798 596740034 /nfs/dbraw/zinc/74/00/34/596740034.db2.gz NDSGIIZVYVZDAK-NKKGCODLSA-N 1 3 344.459 1.381 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000866055285 596773678 /nfs/dbraw/zinc/77/36/78/596773678.db2.gz TWHOXYPVUBHRJP-GOSISDBHSA-N 1 3 334.464 1.669 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156267 596816259 /nfs/dbraw/zinc/81/62/59/596816259.db2.gz HDHSXWFLQXRLHY-SQWLQELKSA-N 1 3 338.496 1.840 20 0 EDADHO CN(C)CCOc1cccc(-c2noc([C@]3(C[NH3+])CCCOC3)n2)c1 ZINC000872175817 596821608 /nfs/dbraw/zinc/82/16/08/596821608.db2.gz SZKHVHTTZISNKO-SFHVURJKSA-N 1 3 346.431 1.684 20 0 EDADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000872225548 596843455 /nfs/dbraw/zinc/84/34/55/596843455.db2.gz CNPCNPRSSIXMQC-WOJBJXKFSA-N 1 3 347.503 1.241 20 0 EDADHO CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000875713580 596957449 /nfs/dbraw/zinc/95/74/49/596957449.db2.gz OMTLNKIPKQSZJG-VUGNNNGISA-N 1 3 340.512 1.515 20 0 EDADHO CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000875713580 596957450 /nfs/dbraw/zinc/95/74/50/596957450.db2.gz OMTLNKIPKQSZJG-VUGNNNGISA-N 1 3 340.512 1.515 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250314 597240524 /nfs/dbraw/zinc/24/05/24/597240524.db2.gz QRIBUNDHTADWKH-HOTGVXAUSA-N 1 3 330.432 1.346 20 0 EDADHO Cn1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2cccnc21 ZINC000873261142 597242030 /nfs/dbraw/zinc/24/20/30/597242030.db2.gz BFLPQBXPEXDWFQ-KZNAEPCWSA-N 1 3 328.460 1.863 20 0 EDADHO FC(F)(F)C(F)(F)OCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873282202 597248109 /nfs/dbraw/zinc/24/81/09/597248109.db2.gz GIVXFXCOCTWPCT-HBNTYKKESA-N 1 3 332.313 1.905 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C[NH+]1CCCCC1 ZINC000875127550 597293235 /nfs/dbraw/zinc/29/32/35/597293235.db2.gz MCOYIZAYDAPKCF-HOTGVXAUSA-N 1 3 340.512 1.253 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCN1C ZINC000875152614 597304450 /nfs/dbraw/zinc/30/44/50/597304450.db2.gz TWQFBQWCKIXKGD-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000876734993 597313306 /nfs/dbraw/zinc/31/33/06/597313306.db2.gz BUGVNYXDDFOGRW-ZDUSSCGKSA-N 1 3 328.844 1.108 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876739331 597316102 /nfs/dbraw/zinc/31/61/02/597316102.db2.gz ORZDIXGOKIYARA-CYBMUJFWSA-N 1 3 347.488 1.582 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876739331 597316105 /nfs/dbraw/zinc/31/61/05/597316105.db2.gz ORZDIXGOKIYARA-CYBMUJFWSA-N 1 3 347.488 1.582 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000876881523 597368757 /nfs/dbraw/zinc/36/87/57/597368757.db2.gz ITXSZOIIWDYMMZ-UHFFFAOYSA-N 1 3 327.432 1.769 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000877221934 597465992 /nfs/dbraw/zinc/46/59/92/597465992.db2.gz UKOWNFUOTPYBAM-ZWKOTPCHSA-N 1 3 331.460 1.454 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257929 597481906 /nfs/dbraw/zinc/48/19/06/597481906.db2.gz UOPOIUKJFPZKFM-FXAWDEMLSA-N 1 3 346.519 1.669 20 0 EDADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000878346269 597597052 /nfs/dbraw/zinc/59/70/52/597597052.db2.gz FVOGAZANPMMRCY-AWEZNQCLSA-N 1 3 342.447 1.128 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@H+](C)C2(CN)CCCCC2)cc1 ZINC000883454850 597754210 /nfs/dbraw/zinc/75/42/10/597754210.db2.gz MXVINTAGCCCSNK-UHFFFAOYSA-N 1 3 325.478 1.688 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@@H+](C)C2(CN)CCCCC2)cc1 ZINC000883454850 597754213 /nfs/dbraw/zinc/75/42/13/597754213.db2.gz MXVINTAGCCCSNK-UHFFFAOYSA-N 1 3 325.478 1.688 20 0 EDADHO COCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884185642 598018575 /nfs/dbraw/zinc/01/85/75/598018575.db2.gz BPEWVAJXPLDDCU-GOSISDBHSA-N 1 3 333.476 1.899 20 0 EDADHO C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000884284799 598054575 /nfs/dbraw/zinc/05/45/75/598054575.db2.gz SAQSCQXJJJPERR-SFHVURJKSA-N 1 3 339.439 1.902 20 0 EDADHO C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000881278509 598115979 /nfs/dbraw/zinc/11/59/79/598115979.db2.gz WVWFSGXOAJPYNW-OFQRWUPVSA-N 1 3 342.447 1.250 20 0 EDADHO Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992925115 695456893 /nfs/dbraw/zinc/45/68/93/695456893.db2.gz ZVWLNFXPMBSRFA-BRWVUGGUSA-N 1 3 346.475 1.796 20 0 EDADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCOC1CCC1 ZINC000993759669 696352306 /nfs/dbraw/zinc/35/23/06/696352306.db2.gz MCAGODVMRNSELA-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCN1CCO ZINC000993800748 696377966 /nfs/dbraw/zinc/37/79/66/696377966.db2.gz AXFTZCWGTXOOMX-MAUKXSAKSA-N 1 3 333.476 1.366 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1cnn(C)c1 ZINC000994260063 696672766 /nfs/dbraw/zinc/67/27/66/696672766.db2.gz XKELOSPBVWIFER-WBVHZDCISA-N 1 3 345.491 1.028 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031666880 697452375 /nfs/dbraw/zinc/45/23/75/697452375.db2.gz SUKHQJHFCUXBMC-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001032119269 699002161 /nfs/dbraw/zinc/00/21/61/699002161.db2.gz KQSCEAWFHYZHRO-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001032119269 699002164 /nfs/dbraw/zinc/00/21/64/699002164.db2.gz KQSCEAWFHYZHRO-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000941545122 701575991 /nfs/dbraw/zinc/57/59/91/701575991.db2.gz NAYRSXQPAACAAU-UHFFFAOYSA-N 1 3 348.535 1.203 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129771 699227228 /nfs/dbraw/zinc/22/72/28/699227228.db2.gz ZHARRKBPPGBUTB-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567374 701579779 /nfs/dbraw/zinc/57/97/79/701579779.db2.gz SEALGGKYIHTLFN-SJORKVTESA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567374 701579780 /nfs/dbraw/zinc/57/97/80/701579780.db2.gz SEALGGKYIHTLFN-SJORKVTESA-N 1 3 336.524 1.203 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939398634 699547883 /nfs/dbraw/zinc/54/78/83/699547883.db2.gz PMFMPOCJMSAVGC-HOCLYGCPSA-N 1 3 336.505 1.812 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639731 701603267 /nfs/dbraw/zinc/60/32/67/701603267.db2.gz XNLKTUFHPCMHEE-IAGOWNOFSA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639731 701603268 /nfs/dbraw/zinc/60/32/68/701603268.db2.gz XNLKTUFHPCMHEE-IAGOWNOFSA-N 1 3 336.524 1.203 20 0 EDADHO Cc1nc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC000995165428 701610672 /nfs/dbraw/zinc/61/06/72/701610672.db2.gz DROBXBJIWQXBGB-GJZGRUSLSA-N 1 3 348.516 1.922 20 0 EDADHO CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000940150328 700263726 /nfs/dbraw/zinc/26/37/26/700263726.db2.gz WRGHMGUXWQLQRT-UHFFFAOYSA-N 1 3 348.495 1.253 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)n(C)n2)CC1)N(C)C ZINC000940337432 700495065 /nfs/dbraw/zinc/49/50/65/700495065.db2.gz LSJFLMSGMKFITD-INIZCTEOSA-N 1 3 335.496 1.539 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082463 700725027 /nfs/dbraw/zinc/72/50/27/700725027.db2.gz YTBDOAXVIPKWNG-ZBFHGGJFSA-N 1 3 333.480 1.136 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941430833 701537734 /nfs/dbraw/zinc/53/77/34/701537734.db2.gz DBXGOWASZUGDEK-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941430833 701537735 /nfs/dbraw/zinc/53/77/35/701537735.db2.gz DBXGOWASZUGDEK-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455147 701548580 /nfs/dbraw/zinc/54/85/80/701548580.db2.gz LPSCGVAYAXDGII-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031980590 702139485 /nfs/dbraw/zinc/13/94/85/702139485.db2.gz WERAXJFASQJAJP-APWZRJJASA-N 1 3 329.488 1.783 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031980590 702139487 /nfs/dbraw/zinc/13/94/87/702139487.db2.gz WERAXJFASQJAJP-APWZRJJASA-N 1 3 329.488 1.783 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)CCC1 ZINC000995892849 702193537 /nfs/dbraw/zinc/19/35/37/702193537.db2.gz GIEHPDDSIBXIBU-OAHLLOKOSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999204173 706649713 /nfs/dbraw/zinc/64/97/13/706649713.db2.gz DEXSFKZKHJRTEE-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)CC[N@H+]1C ZINC000999204173 706649714 /nfs/dbraw/zinc/64/97/14/706649714.db2.gz DEXSFKZKHJRTEE-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891171 702233700 /nfs/dbraw/zinc/23/37/00/702233700.db2.gz CMLFLLBDEACVOE-IAGOWNOFSA-N 1 3 330.476 1.748 20 0 EDADHO CCc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186007 702313691 /nfs/dbraw/zinc/31/36/91/702313691.db2.gz FUHXHZCPVJFCIO-LJQANCHMSA-N 1 3 329.488 1.791 20 0 EDADHO CCc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186007 702313698 /nfs/dbraw/zinc/31/36/98/702313698.db2.gz FUHXHZCPVJFCIO-LJQANCHMSA-N 1 3 329.488 1.791 20 0 EDADHO CC(C)(C(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1)N1CCCC1 ZINC000996126988 702558458 /nfs/dbraw/zinc/55/84/58/702558458.db2.gz LYBUWIFZPNDLQY-CVEARBPZSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@H](NCc3ccccn3)C(C)(C)C2)CC1 ZINC000996250232 702652671 /nfs/dbraw/zinc/65/26/71/702652671.db2.gz UFFGIGFCWVEZTB-KRWDZBQOSA-N 1 3 330.476 1.750 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccn3C)CC2)CC[N@@H+]1C ZINC000996603399 702912964 /nfs/dbraw/zinc/91/29/64/702912964.db2.gz LFJLEKKCGXUTIH-JKSUJKDBSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccn3C)CC2)CC[N@H+]1C ZINC000996603399 702912966 /nfs/dbraw/zinc/91/29/66/702912966.db2.gz LFJLEKKCGXUTIH-JKSUJKDBSA-N 1 3 333.480 1.231 20 0 EDADHO C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC000996661756 702955953 /nfs/dbraw/zinc/95/59/53/702955953.db2.gz AAZLYDWRNAEAQZ-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCc2ccns2)CC1)C1CC1 ZINC000996676235 702975238 /nfs/dbraw/zinc/97/52/38/702975238.db2.gz GJSPKKCMJXRWSC-INIZCTEOSA-N 1 3 336.505 1.606 20 0 EDADHO CCC[NH+]1CCN(C2CCC(NC(=O)Cn3ccnc3C)CC2)CC1 ZINC000996804896 703095041 /nfs/dbraw/zinc/09/50/41/703095041.db2.gz YRJTVRJWELGLPY-UHFFFAOYSA-N 1 3 347.507 1.647 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996864 703260064 /nfs/dbraw/zinc/26/00/64/703260064.db2.gz AGSAKRFILKEKQI-AWEZNQCLSA-N 1 3 334.439 1.643 20 0 EDADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997007848 703265295 /nfs/dbraw/zinc/26/52/95/703265295.db2.gz QXKKTSVFUNOOOC-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1)N(C)C ZINC000997011132 703271300 /nfs/dbraw/zinc/27/13/00/703271300.db2.gz WMRIEAVSFYCBNL-KRWDZBQOSA-N 1 3 346.475 1.206 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997013453 703273307 /nfs/dbraw/zinc/27/33/07/703273307.db2.gz ZOJTZUXRXXDELM-IUODEOHRSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997013453 703273308 /nfs/dbraw/zinc/27/33/08/703273308.db2.gz ZOJTZUXRXXDELM-IUODEOHRSA-N 1 3 336.505 1.730 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000997016791 703275441 /nfs/dbraw/zinc/27/54/41/703275441.db2.gz XUYILHOGDBYTCJ-HOTGVXAUSA-N 1 3 325.497 1.722 20 0 EDADHO COCc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997041509 703291782 /nfs/dbraw/zinc/29/17/82/703291782.db2.gz KTLRLQPZDMRUAB-UHFFFAOYSA-N 1 3 342.443 1.879 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000997041700 703292131 /nfs/dbraw/zinc/29/21/31/703292131.db2.gz MOEGLEVPZPWBRB-UHFFFAOYSA-N 1 3 333.823 1.781 20 0 EDADHO C[C@@H](NC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000997182043 703466889 /nfs/dbraw/zinc/46/68/89/703466889.db2.gz GCNTWFITHYVGFM-CABCVRRESA-N 1 3 331.464 1.460 20 0 EDADHO C[C@@H](NC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000997182043 703466890 /nfs/dbraw/zinc/46/68/90/703466890.db2.gz GCNTWFITHYVGFM-CABCVRRESA-N 1 3 331.464 1.460 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997362843 703596610 /nfs/dbraw/zinc/59/66/10/703596610.db2.gz CTFLWTWVLQGQIX-QGZVFWFLSA-N 1 3 333.480 1.375 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367117 703601492 /nfs/dbraw/zinc/60/14/92/703601492.db2.gz UBGVGIXDHVNXHS-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(NCc2nccn2C)CC1)[NH+]1CCCC1 ZINC000997368187 703604894 /nfs/dbraw/zinc/60/48/94/703604894.db2.gz BARFIQCWOPMXHH-GOSISDBHSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)ncn1 ZINC000997613800 703913272 /nfs/dbraw/zinc/91/32/72/703913272.db2.gz PYHNYAZSUNPDHD-KRWDZBQOSA-N 1 3 331.464 1.207 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922533042 703934022 /nfs/dbraw/zinc/93/40/22/703934022.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922533042 703934025 /nfs/dbraw/zinc/93/40/25/703934025.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 1 3 326.485 1.268 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000997829636 704748186 /nfs/dbraw/zinc/74/81/86/704748186.db2.gz BDOPDFOAFBLMOL-AEFFLSMTSA-N 1 3 337.508 1.581 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000997830715 704751117 /nfs/dbraw/zinc/75/11/17/704751117.db2.gz MYUULZMDDPHZLL-GOSISDBHSA-N 1 3 348.466 1.889 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)n(C)n2)CC1)N(C)C ZINC000997854599 704766833 /nfs/dbraw/zinc/76/68/33/704766833.db2.gz GTWBFZDGNPZDQC-QGZVFWFLSA-N 1 3 335.496 1.397 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947723 705068186 /nfs/dbraw/zinc/06/81/86/705068186.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 1 3 348.495 1.075 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cncn2)CC1 ZINC000997947723 705068193 /nfs/dbraw/zinc/06/81/93/705068193.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 1 3 348.495 1.075 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000998868206 706297561 /nfs/dbraw/zinc/29/75/61/706297561.db2.gz VOGGACSGMOZOHI-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000998868206 706297564 /nfs/dbraw/zinc/29/75/64/706297564.db2.gz VOGGACSGMOZOHI-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999834875 707468249 /nfs/dbraw/zinc/46/82/49/707468249.db2.gz ZIMGLESJCSWUJG-UHFFFAOYSA-N 1 3 339.871 1.211 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519344 /nfs/dbraw/zinc/51/93/44/706519344.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519347 /nfs/dbraw/zinc/51/93/47/706519347.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 1 3 349.519 1.820 20 0 EDADHO CCc1onc(C)c1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362311 706875749 /nfs/dbraw/zinc/87/57/49/706875749.db2.gz AKJUVMAXAUJBIH-MAUKXSAKSA-N 1 3 348.491 1.966 20 0 EDADHO Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999366791 706880302 /nfs/dbraw/zinc/88/03/02/706880302.db2.gz CKIOTBFPKNLFFX-GOEBONIOSA-N 1 3 336.505 1.872 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC000999434602 706942068 /nfs/dbraw/zinc/94/20/68/706942068.db2.gz PBJKDQDSMUCSSF-MSOLQXFVSA-N 1 3 339.524 1.970 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCc2ccccn2)C1 ZINC000999509873 707007530 /nfs/dbraw/zinc/00/75/30/707007530.db2.gz SCLJKLCBWXRPRI-UHFFFAOYSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H](NC1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999509676 707007804 /nfs/dbraw/zinc/00/78/04/707007804.db2.gz QYESEEBUKUPXOF-ODIFPOPNSA-N 1 3 345.491 1.849 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999687023 707240104 /nfs/dbraw/zinc/24/01/04/707240104.db2.gz DJAJDIBCQKQTFL-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999687023 707240107 /nfs/dbraw/zinc/24/01/07/707240107.db2.gz DJAJDIBCQKQTFL-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764394 707318833 /nfs/dbraw/zinc/31/88/33/707318833.db2.gz JQTDSUOZPHIFJI-VIHIWDAPSA-N 1 3 333.476 1.230 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828799 707457190 /nfs/dbraw/zinc/45/71/90/707457190.db2.gz FXQFPZXDSCZBCB-WLYUNCDWSA-N 1 3 334.464 1.576 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999828799 707457192 /nfs/dbraw/zinc/45/71/92/707457192.db2.gz FXQFPZXDSCZBCB-WLYUNCDWSA-N 1 3 334.464 1.576 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999832296 707462940 /nfs/dbraw/zinc/46/29/40/707462940.db2.gz CKOWDSWYMDKHID-DAWZGUTISA-N 1 3 331.460 1.395 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999833598 707465902 /nfs/dbraw/zinc/46/59/02/707465902.db2.gz NJYSPVOTXCNMQJ-JTTJXQCZSA-N 1 3 349.450 1.534 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cccc(F)c2F)C1 ZINC000999835345 707469045 /nfs/dbraw/zinc/46/90/45/707469045.db2.gz FGZYJLXDPZDIBI-WLYUNCDWSA-N 1 3 337.414 1.996 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cccc(F)c2F)C1 ZINC000999835345 707469050 /nfs/dbraw/zinc/46/90/50/707469050.db2.gz FGZYJLXDPZDIBI-WLYUNCDWSA-N 1 3 337.414 1.996 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001033358082 707677921 /nfs/dbraw/zinc/67/79/21/707677921.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 1 3 333.480 1.146 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001033358082 707677925 /nfs/dbraw/zinc/67/79/25/707677925.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 1 3 333.480 1.146 20 0 EDADHO C[C@H](NCc1cnnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931348 707693977 /nfs/dbraw/zinc/69/39/77/707693977.db2.gz WOVNXZWRXKFCMB-WMLDXEAASA-N 1 3 348.495 1.016 20 0 EDADHO C[C@@H]1Cc2cc(C[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000921690964 707729356 /nfs/dbraw/zinc/72/93/56/707729356.db2.gz RNBZJQFJODEZTG-GDBMZVCRSA-N 1 3 331.460 1.687 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008406 708082225 /nfs/dbraw/zinc/08/22/25/708082225.db2.gz PVDCRHJENMDALH-QZTJIDSGSA-N 1 3 347.507 1.418 20 0 EDADHO CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001005182035 708127506 /nfs/dbraw/zinc/12/75/06/708127506.db2.gz CDCADVAPVGAJDF-VJFUWPCTSA-N 1 3 337.508 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182600 708128709 /nfs/dbraw/zinc/12/87/09/708128709.db2.gz DRGQBCQZAYRDSI-RBUKOAKNSA-N 1 3 345.487 1.737 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001001833001 708358881 /nfs/dbraw/zinc/35/88/81/708358881.db2.gz JJEQATDOUAFPBC-QAPCUYQASA-N 1 3 330.476 1.608 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CCN(Cc2cccnc2)CC1 ZINC001001833001 708358885 /nfs/dbraw/zinc/35/88/85/708358885.db2.gz JJEQATDOUAFPBC-QAPCUYQASA-N 1 3 330.476 1.608 20 0 EDADHO CN(C)c1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033664278 708446091 /nfs/dbraw/zinc/44/60/91/708446091.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033664278 708446092 /nfs/dbraw/zinc/44/60/92/708446092.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCN(CCn2cccn2)CC1 ZINC001005398374 708881604 /nfs/dbraw/zinc/88/16/04/708881604.db2.gz OBOCOLBEMQQZDU-GOSISDBHSA-N 1 3 345.491 1.148 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CCCO)C2)C1 ZINC001033932055 709099116 /nfs/dbraw/zinc/09/91/16/709099116.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 1 3 325.497 1.414 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CCCO)C2)C1 ZINC001033932055 709099119 /nfs/dbraw/zinc/09/91/19/709099119.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 1 3 325.497 1.414 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)CC1 ZINC001034378707 709900553 /nfs/dbraw/zinc/90/05/53/709900553.db2.gz WRZCYFDCIAUOKL-KRWDZBQOSA-N 1 3 333.480 1.196 20 0 EDADHO CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)n1 ZINC001034734964 710918566 /nfs/dbraw/zinc/91/85/66/710918566.db2.gz CSAWPDOMNGBTJA-BRWVUGGUSA-N 1 3 347.507 1.904 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001003971472 711122712 /nfs/dbraw/zinc/12/27/12/711122712.db2.gz PYFMQZFBKBLWQJ-KRWDZBQOSA-N 1 3 345.487 1.988 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001003971472 711122714 /nfs/dbraw/zinc/12/27/14/711122714.db2.gz PYFMQZFBKBLWQJ-KRWDZBQOSA-N 1 3 345.487 1.988 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387768 711428239 /nfs/dbraw/zinc/42/82/39/711428239.db2.gz MWHLYIPLUNKXBG-YSHGAJCASA-N 1 3 328.460 1.904 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn3ccccc13)C2 ZINC000922387768 711428241 /nfs/dbraw/zinc/42/82/41/711428241.db2.gz MWHLYIPLUNKXBG-YSHGAJCASA-N 1 3 328.460 1.904 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)C1 ZINC001034958885 711432879 /nfs/dbraw/zinc/43/28/79/711432879.db2.gz NPJQJTAGGPGSPJ-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCc2cnn(C)c2)C1 ZINC001034958885 711432883 /nfs/dbraw/zinc/43/28/83/711432883.db2.gz NPJQJTAGGPGSPJ-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(OC)nc1C)N(C)C ZINC001034971686 711451640 /nfs/dbraw/zinc/45/16/40/711451640.db2.gz UDSPVPIQXSOYJI-HZPDHXFCSA-N 1 3 349.479 1.214 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000333705975 282115881 /nfs/dbraw/zinc/11/58/81/282115881.db2.gz SCDRALRJSQLCFN-HUUCEWRRSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000333705975 282115882 /nfs/dbraw/zinc/11/58/82/282115882.db2.gz SCDRALRJSQLCFN-HUUCEWRRSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)C(C)(C)C ZINC000173778325 231030611 /nfs/dbraw/zinc/03/06/11/231030611.db2.gz UCSZHEDDSCLEKA-CVEARBPZSA-N 1 3 335.496 1.872 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174206974 231150601 /nfs/dbraw/zinc/15/06/01/231150601.db2.gz ZAKPHTLFARAXTF-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000174354615 530053646 /nfs/dbraw/zinc/05/36/46/530053646.db2.gz YAHCJMZYTYQGAV-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3noc(C)n3)CC2)CC1 ZINC000561314982 306287006 /nfs/dbraw/zinc/28/70/06/306287006.db2.gz DUAKCSHLFGLBJK-UHFFFAOYSA-N 1 3 349.479 1.533 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000353521345 539934322 /nfs/dbraw/zinc/93/43/22/539934322.db2.gz RFOVPBMDFIQMDK-KURKYZTESA-N 1 3 336.524 1.392 20 0 EDADHO O=C([C@@H]1CSCN1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563170600 306321484 /nfs/dbraw/zinc/32/14/84/306321484.db2.gz VKQVXMDTEMBKFZ-INIZCTEOSA-N 1 3 349.504 1.245 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723775 291045746 /nfs/dbraw/zinc/04/57/46/291045746.db2.gz BBVKOWWUXAESCO-JKSUJKDBSA-N 1 3 339.480 1.237 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](COC)C3)CC2)CC1 ZINC000563383008 306330993 /nfs/dbraw/zinc/33/09/93/306330993.db2.gz ALIJAPUNVPXRDZ-MRXNPFEDSA-N 1 3 337.508 1.678 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000563591670 306340677 /nfs/dbraw/zinc/34/06/77/306340677.db2.gz YFOAYIIIZUFAGW-LMSBXDPUSA-N 1 3 330.476 1.947 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410766867 283231941 /nfs/dbraw/zinc/23/19/41/283231941.db2.gz MDHNUATYMMBGIR-INIZCTEOSA-N 1 3 340.512 1.119 20 0 EDADHO [NH3+]C1CCC(OCC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000563704918 306345674 /nfs/dbraw/zinc/34/56/74/306345674.db2.gz BKHLRODXRNQVTR-UHFFFAOYSA-N 1 3 346.475 1.701 20 0 EDADHO C[NH+]1CCC(NC(=O)N2CCCN(Cc3ccccc3)CC2)CC1 ZINC000053963389 201130397 /nfs/dbraw/zinc/13/03/97/201130397.db2.gz UTWQYFAQHWFKLT-UHFFFAOYSA-N 1 3 330.476 1.998 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000414729806 304133923 /nfs/dbraw/zinc/13/39/23/304133923.db2.gz DCSMJEQGWWIWRX-INIZCTEOSA-N 1 3 348.491 1.827 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000414759088 304137745 /nfs/dbraw/zinc/13/77/45/304137745.db2.gz ZNWNRDFHSBKNAD-OAHLLOKOSA-N 1 3 333.480 1.996 20 0 EDADHO Fc1ccc(CNCCCN2CC[NH2+]CC2)c(Br)c1 ZINC000414784178 304140515 /nfs/dbraw/zinc/14/05/15/304140515.db2.gz RSZUUCZADBNMAH-UHFFFAOYSA-N 1 3 330.245 1.973 20 0 EDADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337485525 284057921 /nfs/dbraw/zinc/05/79/21/284057921.db2.gz YLYGGCFTMVBGTB-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000337485525 284057922 /nfs/dbraw/zinc/05/79/22/284057922.db2.gz YLYGGCFTMVBGTB-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000414849507 304147660 /nfs/dbraw/zinc/14/76/60/304147660.db2.gz HDVFFXLRZGFVKE-GJZGRUSLSA-N 1 3 346.475 1.724 20 0 EDADHO CCN1CCN(c2ccccc2CNC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415033831 304153039 /nfs/dbraw/zinc/15/30/39/304153039.db2.gz HIQPHZSOTDJFPG-GOSISDBHSA-N 1 3 332.492 1.297 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415159992 304168052 /nfs/dbraw/zinc/16/80/52/304168052.db2.gz KKYXDTMVZBRQQQ-SJORKVTESA-N 1 3 344.459 1.430 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000127351904 205096747 /nfs/dbraw/zinc/09/67/47/205096747.db2.gz VDMGYROSLYKGIB-GDBMZVCRSA-N 1 3 341.377 1.919 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000129008559 205174044 /nfs/dbraw/zinc/17/40/44/205174044.db2.gz GPRRIWHBGMZYQA-UHFFFAOYSA-N 1 3 346.475 1.535 20 0 EDADHO C[C@](C[NH3+])(NC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237588273 139054783 /nfs/dbraw/zinc/05/47/83/139054783.db2.gz RFSJLRJPHANJSI-LJQANCHMSA-N 1 3 330.476 1.442 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000415227439 304176445 /nfs/dbraw/zinc/17/64/45/304176445.db2.gz KAZOADSAURUNEF-PBHICJAKSA-N 1 3 344.459 1.430 20 0 EDADHO O=C1CNC(=O)N1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245645616 139082030 /nfs/dbraw/zinc/08/20/30/139082030.db2.gz BMBXQLYSMJPSJS-BJWYYQGGSA-N 1 3 342.443 1.323 20 0 EDADHO O=C1CNC(=O)N1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245645616 139082031 /nfs/dbraw/zinc/08/20/31/139082031.db2.gz BMBXQLYSMJPSJS-BJWYYQGGSA-N 1 3 342.443 1.323 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000245876748 139088283 /nfs/dbraw/zinc/08/82/83/139088283.db2.gz HOMXSTQJRRNEAI-JKSUJKDBSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000245876748 139088284 /nfs/dbraw/zinc/08/82/84/139088284.db2.gz HOMXSTQJRRNEAI-JKSUJKDBSA-N 1 3 348.491 1.872 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000157921852 206164236 /nfs/dbraw/zinc/16/42/36/206164236.db2.gz MKEYMNNXAFMUSW-PKOBYXMFSA-N 1 3 344.503 1.751 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419886437 284610805 /nfs/dbraw/zinc/61/08/05/284610805.db2.gz DBQNARAJJWFNOF-CVEARBPZSA-N 1 3 340.512 1.199 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000247495859 139150683 /nfs/dbraw/zinc/15/06/83/139150683.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000247495859 139150684 /nfs/dbraw/zinc/15/06/84/139150684.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000360958046 284731229 /nfs/dbraw/zinc/73/12/29/284731229.db2.gz OCWSCMSJUOVQEP-HZPDHXFCSA-N 1 3 333.542 1.806 20 0 EDADHO C[C@H](O)C[C@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281415 139190230 /nfs/dbraw/zinc/19/02/30/139190230.db2.gz GNVOKXWXNIILJO-CGTJXYLNSA-N 1 3 333.476 1.641 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000353759790 284772377 /nfs/dbraw/zinc/77/23/77/284772377.db2.gz GAVGHOLMQWUSAY-QGZVFWFLSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1Cc1ccccc1 ZINC000261673967 139216427 /nfs/dbraw/zinc/21/64/27/139216427.db2.gz GLJXXOZTOBTUGT-SPUZQDLCSA-N 1 3 331.460 1.662 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261777151 139225090 /nfs/dbraw/zinc/22/50/90/139225090.db2.gz FZFQVRLKQNGZMS-IIAWOOMASA-N 1 3 325.497 1.613 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1CN(C)C ZINC000415460271 304223574 /nfs/dbraw/zinc/22/35/74/304223574.db2.gz YOUHMMGCACNUAG-BBRMVZONSA-N 1 3 332.448 1.239 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261878324 139233400 /nfs/dbraw/zinc/23/34/00/139233400.db2.gz TWCLNSDJALAKRH-UHFFFAOYSA-N 1 3 335.492 1.624 20 0 EDADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262111640 139251857 /nfs/dbraw/zinc/25/18/57/139251857.db2.gz URNCTGHXYAANRF-RBUKOAKNSA-N 1 3 342.487 1.157 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc(OCC[NH3+])cc2)N(C)C1 ZINC000415949978 251038794 /nfs/dbraw/zinc/03/87/94/251038794.db2.gz WXTUZIUONPEJTK-HOCLYGCPSA-N 1 3 336.436 1.207 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262223302 139261462 /nfs/dbraw/zinc/26/14/62/139261462.db2.gz FVQIEZDKMVOOAH-BBRMVZONSA-N 1 3 325.478 1.639 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000416999786 251125071 /nfs/dbraw/zinc/12/50/71/251125071.db2.gz YEFXBTGMJCNFHY-MRXNPFEDSA-N 1 3 347.507 1.313 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000417025635 251138104 /nfs/dbraw/zinc/13/81/04/251138104.db2.gz NCANELDWGSVDAE-GOSISDBHSA-N 1 3 330.476 1.958 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000417309535 251155037 /nfs/dbraw/zinc/15/50/37/251155037.db2.gz IUCBDPWVNLEMID-KURKYZTESA-N 1 3 330.476 1.849 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000417319126 251158246 /nfs/dbraw/zinc/15/82/46/251158246.db2.gz BEZADJFTUOSAIH-CQSZACIVSA-N 1 3 334.464 1.554 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000417518873 251182626 /nfs/dbraw/zinc/18/26/26/251182626.db2.gz TYIXNKOPPSUBOC-SFHVURJKSA-N 1 3 348.491 1.829 20 0 EDADHO CN(C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1CC([NH3+])C1 ZINC000417551288 251187209 /nfs/dbraw/zinc/18/72/09/251187209.db2.gz NVVPWBBOKOUNPG-UHFFFAOYSA-N 1 3 346.475 1.274 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417555121 251187608 /nfs/dbraw/zinc/18/76/08/251187608.db2.gz XMRNPGPGOIGVRL-GOSISDBHSA-N 1 3 348.491 1.426 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438654 251174019 /nfs/dbraw/zinc/17/40/19/251174019.db2.gz KBWLQTGWUCBTEJ-SFHVURJKSA-N 1 3 344.459 1.717 20 0 EDADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000175821285 207162675 /nfs/dbraw/zinc/16/26/75/207162675.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO COCCCN(C)CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000175821285 207162678 /nfs/dbraw/zinc/16/26/78/207162678.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 1 3 342.528 1.764 20 0 EDADHO CC(C)([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417631694 251208717 /nfs/dbraw/zinc/20/87/17/251208717.db2.gz WAPYSVJWFQWYJG-UHFFFAOYSA-N 1 3 328.526 1.775 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750184 251254783 /nfs/dbraw/zinc/25/47/83/251254783.db2.gz KFDQCQMXJVGQBU-IKGGRYGDSA-N 1 3 339.528 1.077 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115402 251329375 /nfs/dbraw/zinc/32/93/75/251329375.db2.gz OFOQONDFKLNOIA-OAGGEKHMSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417851423 251297533 /nfs/dbraw/zinc/29/75/33/251297533.db2.gz YPKAPOHGYBPZGL-GDAAHCPNSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418434097 251369906 /nfs/dbraw/zinc/36/99/06/251369906.db2.gz VEQMNLVFBMETBF-CRAIPNDOSA-N 1 3 346.475 1.581 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418320958 251360249 /nfs/dbraw/zinc/36/02/49/251360249.db2.gz RFCANJUBKAVDAI-UHFFFAOYSA-N 1 3 347.463 1.583 20 0 EDADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C1CCCCC1 ZINC000418384466 251364048 /nfs/dbraw/zinc/36/40/48/251364048.db2.gz ONCILGNOFFXLNN-CVEARBPZSA-N 1 3 326.485 1.040 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418584587 251378699 /nfs/dbraw/zinc/37/86/99/251378699.db2.gz CFXZAFPJSMWOJF-COXVUDFISA-N 1 3 334.464 1.595 20 0 EDADHO COCC1(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)CC[NH2+]CC1 ZINC000418638176 251381750 /nfs/dbraw/zinc/38/17/50/251381750.db2.gz LHUYLEASQDXMCZ-HNNXBMFYSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418688292 251386650 /nfs/dbraw/zinc/38/66/50/251386650.db2.gz MYBWHLOHOYYUAI-NXHRZFHOSA-N 1 3 348.491 1.296 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646394 139292799 /nfs/dbraw/zinc/29/27/99/139292799.db2.gz ODBKQNKTWMYSBT-JKSUJKDBSA-N 1 3 344.459 1.322 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420139113 251610858 /nfs/dbraw/zinc/61/08/58/251610858.db2.gz WZBUGZVFOMMYBX-CQSZACIVSA-N 1 3 334.464 1.121 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262711615 139298098 /nfs/dbraw/zinc/29/80/98/139298098.db2.gz QQMFCRNYAXGLEK-INIZCTEOSA-N 1 3 347.463 1.968 20 0 EDADHO COc1ncc(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423155307 252039013 /nfs/dbraw/zinc/03/90/13/252039013.db2.gz IVTWENBMTDAUDJ-BPLDGKMQSA-N 1 3 325.840 1.990 20 0 EDADHO NC[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424012756 252113487 /nfs/dbraw/zinc/11/34/87/252113487.db2.gz PNWRBLDEBRDQKQ-FGTMMUONSA-N 1 3 345.393 1.960 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)N(CC)CC ZINC000424015289 252113751 /nfs/dbraw/zinc/11/37/51/252113751.db2.gz YRUBDTMOGQOMRR-BRWVUGGUSA-N 1 3 325.497 1.852 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCO1 ZINC000424023975 252118204 /nfs/dbraw/zinc/11/82/04/252118204.db2.gz QJTBSOHOGAKTDJ-FUHWJXTLSA-N 1 3 349.450 1.614 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000423791523 252075660 /nfs/dbraw/zinc/07/56/60/252075660.db2.gz UYQSRYIBKXFSPX-OAHLLOKOSA-N 1 3 334.489 1.509 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144841 252143029 /nfs/dbraw/zinc/14/30/29/252143029.db2.gz MFQDOTHZWKZTMV-CVEARBPZSA-N 1 3 346.479 1.197 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CCN1C ZINC000424149231 252145609 /nfs/dbraw/zinc/14/56/09/252145609.db2.gz VYTRIKJNIOINKB-KFWWJZLASA-N 1 3 333.480 1.442 20 0 EDADHO COC(=O)CC1CC([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000424273911 252188532 /nfs/dbraw/zinc/18/85/32/252188532.db2.gz UVDIQJVFGSTYQJ-UHFFFAOYSA-N 1 3 347.459 1.409 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262968056 139315962 /nfs/dbraw/zinc/31/59/62/139315962.db2.gz XIFGUQJGFHTYAR-MSOLQXFVSA-N 1 3 344.503 1.764 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000424438986 252231434 /nfs/dbraw/zinc/23/14/34/252231434.db2.gz MSUHIHZDCNOPSU-UHFFFAOYSA-N 1 3 346.475 1.629 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182476826 285009877 /nfs/dbraw/zinc/00/98/77/285009877.db2.gz UVCXAZYZZAIOPR-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182476826 285009879 /nfs/dbraw/zinc/00/98/79/285009879.db2.gz UVCXAZYZZAIOPR-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938967 285058635 /nfs/dbraw/zinc/05/86/35/285058635.db2.gz VSZPYYNYRURAHU-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1C[NH2+]C1 ZINC000263347233 139337342 /nfs/dbraw/zinc/33/73/42/139337342.db2.gz ZNWFTDHCJBTFCU-SFHVURJKSA-N 1 3 331.460 1.110 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415693574 304257356 /nfs/dbraw/zinc/25/73/56/304257356.db2.gz UFWXXOZNRAEDJH-OAHLLOKOSA-N 1 3 346.475 1.317 20 0 EDADHO CCC[NH+]1CCC(NC[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496357023 255386076 /nfs/dbraw/zinc/38/60/76/255386076.db2.gz HMQMPBZYOWVPEF-QGZVFWFLSA-N 1 3 329.485 1.726 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333303398 141295817 /nfs/dbraw/zinc/29/58/17/141295817.db2.gz JEXCOPRVIJCIEL-HNNXBMFYSA-N 1 3 340.537 1.728 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712249 141363313 /nfs/dbraw/zinc/36/33/13/141363313.db2.gz SMSRFYVRPJQAHF-DOTOQJQBSA-N 1 3 343.537 1.703 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333833153 141390581 /nfs/dbraw/zinc/39/05/81/141390581.db2.gz JTVFSHRVMRIWKU-JQHSSLGASA-N 1 3 337.508 1.852 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCN(CC2CCCCC2)CC1 ZINC000333850409 141394273 /nfs/dbraw/zinc/39/42/73/141394273.db2.gz PYVQKHXFJHINDM-KRWDZBQOSA-N 1 3 338.496 1.272 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000338822543 141889958 /nfs/dbraw/zinc/88/99/58/141889958.db2.gz BMCVYOHGTQCYLZ-LJQANCHMSA-N 1 3 349.519 1.964 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252310 142320251 /nfs/dbraw/zinc/32/02/51/142320251.db2.gz LOBRXDSNMFLOIY-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCCC1 ZINC000340311040 142338147 /nfs/dbraw/zinc/33/81/47/142338147.db2.gz ZNMDPXPZMVUKBK-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCCC1 ZINC000340311040 142338149 /nfs/dbraw/zinc/33/81/49/142338149.db2.gz ZNMDPXPZMVUKBK-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000345010411 143038852 /nfs/dbraw/zinc/03/88/52/143038852.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 1 3 325.497 1.553 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1[C@H](C)CC[C@@H]1C ZINC000345010411 143038853 /nfs/dbraw/zinc/03/88/53/143038853.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 1 3 325.497 1.553 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000345195555 143063146 /nfs/dbraw/zinc/06/31/46/143063146.db2.gz ZQTHERRZAAFWHW-UHFFFAOYSA-N 1 3 327.513 1.972 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000346325511 143192235 /nfs/dbraw/zinc/19/22/35/143192235.db2.gz NZYSSKYQUUGXJL-SFHVURJKSA-N 1 3 335.492 1.576 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000346325511 143192236 /nfs/dbraw/zinc/19/22/36/143192236.db2.gz NZYSSKYQUUGXJL-SFHVURJKSA-N 1 3 335.492 1.576 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@](C)(F)C3)CC2)CC1 ZINC000347013095 143271479 /nfs/dbraw/zinc/27/14/79/143271479.db2.gz MMRVPKGEUFIBNP-QGZVFWFLSA-N 1 3 326.460 1.689 20 0 EDADHO Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034796 143274570 /nfs/dbraw/zinc/27/45/70/143274570.db2.gz CPLZIURSDKKMIG-ZDUSSCGKSA-N 1 3 347.488 1.436 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347930425 143380515 /nfs/dbraw/zinc/38/05/15/143380515.db2.gz XSQFFELWHFSKRL-CQSZACIVSA-N 1 3 337.464 1.525 20 0 EDADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000369763161 155166577 /nfs/dbraw/zinc/16/65/77/155166577.db2.gz MBRGMQUZMFKZJI-MRXNPFEDSA-N 1 3 333.480 1.393 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000369763161 155166579 /nfs/dbraw/zinc/16/65/79/155166579.db2.gz MBRGMQUZMFKZJI-MRXNPFEDSA-N 1 3 333.480 1.393 20 0 EDADHO CN(CCC(=O)N1CCOCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000369810781 155185924 /nfs/dbraw/zinc/18/59/24/155185924.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 1 3 345.487 1.689 20 0 EDADHO CN(CCC(=O)N1CCOCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369810781 155185926 /nfs/dbraw/zinc/18/59/26/155185926.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 1 3 345.487 1.689 20 0 EDADHO C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000416843250 304350923 /nfs/dbraw/zinc/35/09/23/304350923.db2.gz OPEPYLKJPVDMOJ-RYQLBKOJSA-N 1 3 332.492 1.847 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416842958 304350943 /nfs/dbraw/zinc/35/09/43/304350943.db2.gz OAGUCLWEAIFCMV-HKUYNNGSSA-N 1 3 330.476 1.554 20 0 EDADHO NC(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000353422604 149398747 /nfs/dbraw/zinc/39/87/47/149398747.db2.gz BMTIGQWUEKYFCA-KGLIPLIRSA-N 1 3 329.366 1.557 20 0 EDADHO NC(C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000353422604 149398750 /nfs/dbraw/zinc/39/87/50/149398750.db2.gz BMTIGQWUEKYFCA-KGLIPLIRSA-N 1 3 329.366 1.557 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000416969366 304357304 /nfs/dbraw/zinc/35/73/04/304357304.db2.gz BRJCQWJNCVERBD-GOSISDBHSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000354134650 149664485 /nfs/dbraw/zinc/66/44/85/149664485.db2.gz BJKHZFWZXSIYDS-OAHLLOKOSA-N 1 3 348.491 1.393 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000416974550 304358601 /nfs/dbraw/zinc/35/86/01/304358601.db2.gz LYBDNLFCNDLGJH-GDBMZVCRSA-N 1 3 334.464 1.554 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000416973668 304358606 /nfs/dbraw/zinc/35/86/06/304358606.db2.gz JOCHSGQPUWOBLD-WMZOPIPTSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044349 304365495 /nfs/dbraw/zinc/36/54/95/304365495.db2.gz XWBBXCPNAJZYMN-CRAIPNDOSA-N 1 3 330.476 1.814 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CN2CCN1CCC2)[NH+](C)C ZINC000357871358 151178985 /nfs/dbraw/zinc/17/89/85/151178985.db2.gz OFGBHVDRQPSXJD-WDSOQIARSA-N 1 3 344.503 1.492 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358095130 151268069 /nfs/dbraw/zinc/26/80/69/151268069.db2.gz LYCJUMUSNXARIF-INIZCTEOSA-N 1 3 340.512 1.637 20 0 EDADHO COc1cccc(CNC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495963 151395447 /nfs/dbraw/zinc/39/54/47/151395447.db2.gz IJYBRQBKDUXAGX-HNNXBMFYSA-N 1 3 331.460 1.775 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[N@H+](C)C2CCCCC2)CCSC1 ZINC000360403725 152023607 /nfs/dbraw/zinc/02/36/07/152023607.db2.gz VSINNKIDISJRMG-QGZVFWFLSA-N 1 3 342.553 1.987 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[N@@H+](C)C2CCCCC2)CCSC1 ZINC000360403725 152023611 /nfs/dbraw/zinc/02/36/11/152023611.db2.gz VSINNKIDISJRMG-QGZVFWFLSA-N 1 3 342.553 1.987 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360670903 152146794 /nfs/dbraw/zinc/14/67/94/152146794.db2.gz ZXZHAHBXXMFEDZ-DOTOQJQBSA-N 1 3 342.553 1.843 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360670903 152146797 /nfs/dbraw/zinc/14/67/97/152146797.db2.gz ZXZHAHBXXMFEDZ-DOTOQJQBSA-N 1 3 342.553 1.843 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)N2CCN(C3CCCC3)CC2)CCSC1 ZINC000360757189 152190385 /nfs/dbraw/zinc/19/03/85/152190385.db2.gz XQMPTBORAQBFCO-QGZVFWFLSA-N 1 3 340.537 1.694 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897631 152245841 /nfs/dbraw/zinc/24/58/41/152245841.db2.gz MWLKZGHGOGGHAY-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO C[NH2+]CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160095 304379049 /nfs/dbraw/zinc/37/90/49/304379049.db2.gz XXESJUFYWKAHIE-UHFFFAOYSA-N 1 3 333.480 1.107 20 0 EDADHO C[C@H](C[NH3+])NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000417164237 304379819 /nfs/dbraw/zinc/37/98/19/304379819.db2.gz VOIKJDWMRUYHET-QGZVFWFLSA-N 1 3 347.507 1.231 20 0 EDADHO COC[C@@]1(CNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CCC[NH2+]1 ZINC000417177014 304380528 /nfs/dbraw/zinc/38/05/28/304380528.db2.gz CKSAVCSCTMQSAO-HKUYNNGSSA-N 1 3 348.491 1.227 20 0 EDADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363865907 153080391 /nfs/dbraw/zinc/08/03/91/153080391.db2.gz VQCMYEHBGYRSMO-RDJZCZTQSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000363865907 153080392 /nfs/dbraw/zinc/08/03/92/153080392.db2.gz VQCMYEHBGYRSMO-RDJZCZTQSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@@H](CNC(=O)NCCCNCc1cccnc1)C[NH+]1CCCCC1 ZINC000417194507 304383034 /nfs/dbraw/zinc/38/30/34/304383034.db2.gz PFMRUKJZPKPMCM-KRWDZBQOSA-N 1 3 347.507 1.983 20 0 EDADHO CN(CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000417231545 304386219 /nfs/dbraw/zinc/38/62/19/304386219.db2.gz NSLMIAWVSXEFLU-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417299528 304391116 /nfs/dbraw/zinc/39/11/16/304391116.db2.gz RZOHSPDISBEWSM-SHTZXODSSA-N 1 3 326.485 1.162 20 0 EDADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367618446 154200634 /nfs/dbraw/zinc/20/06/34/154200634.db2.gz SIYQGIYXZXXBMM-FGTMMUONSA-N 1 3 330.476 1.881 20 0 EDADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367618446 154200638 /nfs/dbraw/zinc/20/06/38/154200638.db2.gz SIYQGIYXZXXBMM-FGTMMUONSA-N 1 3 330.476 1.881 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367618446 154200641 /nfs/dbraw/zinc/20/06/41/154200641.db2.gz SIYQGIYXZXXBMM-FGTMMUONSA-N 1 3 330.476 1.881 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000417502336 304400620 /nfs/dbraw/zinc/40/06/20/304400620.db2.gz BHAPTJPTLSUOFD-QGZVFWFLSA-N 1 3 348.491 1.563 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCOCC1 ZINC000377892922 158022418 /nfs/dbraw/zinc/02/24/18/158022418.db2.gz FQJJRNKSFTVVQR-QGZVFWFLSA-N 1 3 329.460 1.426 20 0 EDADHO CC(C)[C@H](CO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000352424784 162174668 /nfs/dbraw/zinc/17/46/68/162174668.db2.gz HTMPCMRQVRMYGS-HNNXBMFYSA-N 1 3 340.512 1.109 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000360668116 162296928 /nfs/dbraw/zinc/29/69/28/162296928.db2.gz DLZICPRCQQEXAB-WBVHZDCISA-N 1 3 342.553 1.843 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000339930520 292522477 /nfs/dbraw/zinc/52/24/77/292522477.db2.gz ACYYXOLUUSRVIB-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000073664432 287262865 /nfs/dbraw/zinc/26/28/65/287262865.db2.gz LLDJCAVHOGERTL-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)N(CC)CC ZINC000359208598 287444833 /nfs/dbraw/zinc/44/48/33/287444833.db2.gz CFPSGWXGMJRASL-NVXWUHKLSA-N 1 3 327.513 1.658 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H](CC)O1 ZINC000665764069 452347850 /nfs/dbraw/zinc/34/78/50/452347850.db2.gz TVMMOHQUWOJBTN-YESZJQIVSA-N 1 3 342.528 1.857 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000136762814 287580656 /nfs/dbraw/zinc/58/06/56/287580656.db2.gz RVFBRUZDGUHEDC-UHFFFAOYSA-N 1 3 348.491 1.874 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000195146197 267882900 /nfs/dbraw/zinc/88/29/00/267882900.db2.gz VZKFYXCSNAKFGR-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1N(C)C ZINC000275466100 268346912 /nfs/dbraw/zinc/34/69/12/268346912.db2.gz WKWRKBAJXDSUEA-YOEHRIQHSA-N 1 3 346.475 1.138 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@@H]1[NH+](C)C ZINC000275466100 268346914 /nfs/dbraw/zinc/34/69/14/268346914.db2.gz WKWRKBAJXDSUEA-YOEHRIQHSA-N 1 3 346.475 1.138 20 0 EDADHO Cn1ncc(Cl)c1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000275665995 273117479 /nfs/dbraw/zinc/11/74/79/273117479.db2.gz YGKCNQYLVCWCDC-UHFFFAOYSA-N 1 3 348.882 1.770 20 0 EDADHO NC[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(F)(F)F ZINC000655915452 452674253 /nfs/dbraw/zinc/67/42/53/452674253.db2.gz VDNNRHPPMFUQSC-ZDUSSCGKSA-N 1 3 336.402 1.830 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000341868310 277223182 /nfs/dbraw/zinc/22/31/82/277223182.db2.gz GWLPPIDLAXMXKL-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO COCCO[C@@H]1COCC[C@@H]1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423058367 277232915 /nfs/dbraw/zinc/23/29/15/277232915.db2.gz BYCINJFQNFJOGZ-INDMIFKZSA-N 1 3 334.460 1.890 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034421 /nfs/dbraw/zinc/03/44/21/279034421.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034423 /nfs/dbraw/zinc/03/44/23/279034423.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000418428622 279138073 /nfs/dbraw/zinc/13/80/73/279138073.db2.gz QKWXQSQZAXWUCQ-JKSUJKDBSA-N 1 3 339.528 1.170 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000288042748 288388926 /nfs/dbraw/zinc/38/89/26/288388926.db2.gz MLYLTLGOWRSQHX-NXHRZFHOSA-N 1 3 330.476 1.995 20 0 EDADHO CO[C@H](C[NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000289491745 288712659 /nfs/dbraw/zinc/71/26/59/288712659.db2.gz ADFJHSDUWCKUPL-MRXNPFEDSA-N 1 3 339.867 1.642 20 0 EDADHO Cn1cc(N2CC[C@@H](NC3CCN(c4cc[nH+]cc4)CC3)C2=O)cn1 ZINC000291381904 289047813 /nfs/dbraw/zinc/04/78/13/289047813.db2.gz BDPJQBRPJHHLSC-QGZVFWFLSA-N 1 3 340.431 1.179 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cnnn1Cc1ccccc1 ZINC000291961695 289226445 /nfs/dbraw/zinc/22/64/45/289226445.db2.gz POBRBXMLWXZZFZ-GOSISDBHSA-N 1 3 331.464 1.773 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cc(F)cc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000292119565 289265829 /nfs/dbraw/zinc/26/58/29/289265829.db2.gz GLPHIHVJYLTMLP-KQQUZDAGSA-N 1 3 348.422 1.938 20 0 EDADHO CC(C)[C@@H](N)C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000292424527 289343333 /nfs/dbraw/zinc/34/33/33/289343333.db2.gz IGQVFTDIWNKHGY-RBUKOAKNSA-N 1 3 347.503 1.874 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)C2)CC1 ZINC000367910908 289883705 /nfs/dbraw/zinc/88/37/05/289883705.db2.gz LZHZHIFTJLQFHI-YDHLFZDLSA-N 1 3 335.414 1.854 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345765213 290083731 /nfs/dbraw/zinc/08/37/31/290083731.db2.gz YYZXYJTVFSYYJG-ZMSDIMECSA-N 1 3 340.512 1.203 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000354851091 294238917 /nfs/dbraw/zinc/23/89/17/294238917.db2.gz IKUQQVJYQDGUMI-ZJPYXAASSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000354851091 294238919 /nfs/dbraw/zinc/23/89/19/294238919.db2.gz IKUQQVJYQDGUMI-ZJPYXAASSA-N 1 3 335.471 1.549 20 0 EDADHO [NH3+]C1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333605557 295207009 /nfs/dbraw/zinc/20/70/09/295207009.db2.gz XDFSYWMWTZBSKE-RJFAQORQSA-N 1 3 344.503 1.796 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000448475906 447323337 /nfs/dbraw/zinc/32/33/37/447323337.db2.gz WZOVCMAYFUAXMC-MRXNPFEDSA-N 1 3 333.480 1.583 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000448475906 447323340 /nfs/dbraw/zinc/32/33/40/447323340.db2.gz WZOVCMAYFUAXMC-MRXNPFEDSA-N 1 3 333.480 1.583 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)NCC1CCN(CCO)CC1 ZINC000458363861 447326011 /nfs/dbraw/zinc/32/60/11/447326011.db2.gz JTHCXMLISRCGIH-UHFFFAOYSA-N 1 3 340.512 1.256 20 0 EDADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000295803883 303269265 /nfs/dbraw/zinc/26/92/65/303269265.db2.gz SXBYIBXZERNDOO-LBPRGKRZSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000304304840 303752385 /nfs/dbraw/zinc/75/23/85/303752385.db2.gz IXJOBAMADKEKJX-IAGOWNOFSA-N 1 3 325.497 1.460 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414879022 447340676 /nfs/dbraw/zinc/34/06/76/447340676.db2.gz OJBUNMMGEZNGFJ-INIZCTEOSA-N 1 3 330.432 1.219 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707131 304879089 /nfs/dbraw/zinc/87/90/89/304879089.db2.gz VSSOSFLQDSZIEN-UKRRQHHQSA-N 1 3 343.493 1.341 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423131330 304887993 /nfs/dbraw/zinc/88/79/93/304887993.db2.gz NSQRGBRSHSXANZ-JKSUJKDBSA-N 1 3 340.512 1.009 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000423751677 304908222 /nfs/dbraw/zinc/90/82/22/304908222.db2.gz VJCFDUKWCAZZKR-NVXWUHKLSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)COC2CNC2)CCCC1)c1ccccc1 ZINC000430701411 305062707 /nfs/dbraw/zinc/06/27/07/305062707.db2.gz VPRBBSVXWRIKPZ-OAHLLOKOSA-N 1 3 331.460 1.755 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000430734358 305063646 /nfs/dbraw/zinc/06/36/46/305063646.db2.gz MKPHHELEURIRNL-NVXWUHKLSA-N 1 3 331.460 1.486 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)COC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000430734358 305063647 /nfs/dbraw/zinc/06/36/47/305063647.db2.gz MKPHHELEURIRNL-NVXWUHKLSA-N 1 3 331.460 1.486 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430880199 305066830 /nfs/dbraw/zinc/06/68/30/305066830.db2.gz SEPNZNOZWFORBU-CVEARBPZSA-N 1 3 344.459 1.465 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000430889529 305067112 /nfs/dbraw/zinc/06/71/12/305067112.db2.gz NVBCUGALKWLPTD-IRXDYDNUSA-N 1 3 349.475 1.387 20 0 EDADHO C[C@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942633 305069681 /nfs/dbraw/zinc/06/96/81/305069681.db2.gz MOAINXRKOHCPOO-MAUKXSAKSA-N 1 3 348.466 1.534 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430949092 305070070 /nfs/dbraw/zinc/07/00/70/305070070.db2.gz BGOQQLRNHABBJX-AWEZNQCLSA-N 1 3 349.475 1.721 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059689 305073967 /nfs/dbraw/zinc/07/39/67/305073967.db2.gz CXDMQGLDCRSHFR-ILZDJORESA-N 1 3 345.487 1.954 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440171398 305204272 /nfs/dbraw/zinc/20/42/72/305204272.db2.gz PAUXKIZPJNNINC-KRWDZBQOSA-N 1 3 342.528 1.717 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440171398 305204273 /nfs/dbraw/zinc/20/42/73/305204273.db2.gz PAUXKIZPJNNINC-KRWDZBQOSA-N 1 3 342.528 1.717 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000471663101 305538395 /nfs/dbraw/zinc/53/83/95/305538395.db2.gz GUZJAKCMJCMBMM-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000493810465 305627744 /nfs/dbraw/zinc/62/77/44/305627744.db2.gz AFBTYMHLLIGJNN-XHSDSOJGSA-N 1 3 333.476 1.986 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC1(F)F ZINC000665029165 453547675 /nfs/dbraw/zinc/54/76/75/453547675.db2.gz HOWSKOGPUHYNIR-UONOGXRCSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCC1(F)F ZINC000665029165 453547679 /nfs/dbraw/zinc/54/76/79/453547679.db2.gz HOWSKOGPUHYNIR-UONOGXRCSA-N 1 3 334.455 1.993 20 0 EDADHO N[C@H](CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000514672010 305701751 /nfs/dbraw/zinc/70/17/51/305701751.db2.gz GWMYYCLGCLODHR-YQVWRLOYSA-N 1 3 331.460 1.821 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000531863982 305969835 /nfs/dbraw/zinc/96/98/35/305969835.db2.gz SBBDSFZBGAVTTE-UHFFFAOYSA-N 1 3 347.438 1.731 20 0 EDADHO CN1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000535434168 306013630 /nfs/dbraw/zinc/01/36/30/306013630.db2.gz CJSRTISICZRKQH-ROUUACIJSA-N 1 3 339.443 1.660 20 0 EDADHO CCS(=O)(=O)N1CCC(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000542716275 306057047 /nfs/dbraw/zinc/05/70/47/306057047.db2.gz FETHAAIQBAKYOE-UHFFFAOYSA-N 1 3 345.553 1.901 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000548102188 306119897 /nfs/dbraw/zinc/11/98/97/306119897.db2.gz YBEXBGDBCMHWBP-IRXDYDNUSA-N 1 3 338.496 1.100 20 0 EDADHO CN(C)Cc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000553964508 306188219 /nfs/dbraw/zinc/18/82/19/306188219.db2.gz HQLPNWSDGOLTFA-UHFFFAOYSA-N 1 3 330.432 1.359 20 0 EDADHO CC[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)N(CC)CC ZINC000554452620 306191710 /nfs/dbraw/zinc/19/17/10/306191710.db2.gz BRMWYBHUFKTDDV-MRXNPFEDSA-N 1 3 340.512 1.215 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956739 447374031 /nfs/dbraw/zinc/37/40/31/447374031.db2.gz VPEAZDXOENCVKC-DVOMOZLQSA-N 1 3 333.432 1.920 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC000414956739 447374037 /nfs/dbraw/zinc/37/40/37/447374037.db2.gz VPEAZDXOENCVKC-DVOMOZLQSA-N 1 3 333.432 1.920 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000419771747 447403112 /nfs/dbraw/zinc/40/31/12/447403112.db2.gz GYGNIMAZUPDZBC-CABCVRRESA-N 1 3 340.512 1.055 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccnc1 ZINC000080565291 441180525 /nfs/dbraw/zinc/18/05/25/441180525.db2.gz JHICXRCYJDEUIJ-KRWDZBQOSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccnc1 ZINC000080565291 441180528 /nfs/dbraw/zinc/18/05/28/441180528.db2.gz JHICXRCYJDEUIJ-KRWDZBQOSA-N 1 3 333.480 1.639 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105806 441234478 /nfs/dbraw/zinc/23/44/78/441234478.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105806 441234481 /nfs/dbraw/zinc/23/44/81/441234481.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405882 /nfs/dbraw/zinc/40/58/82/441405882.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405886 /nfs/dbraw/zinc/40/58/86/441405886.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 1 3 327.513 1.261 20 0 EDADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065172434 441405890 /nfs/dbraw/zinc/40/58/90/441405890.db2.gz ZJBOBQFDRRNQJY-JZXOWHBKSA-N 1 3 327.513 1.261 20 0 EDADHO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)NC1CCN(C2CC2)CC1 ZINC000066535469 441542503 /nfs/dbraw/zinc/54/25/03/441542503.db2.gz FMOUACHLPSPPRC-SFHVURJKSA-N 1 3 334.508 1.290 20 0 EDADHO COCCN(C)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114179821 441639621 /nfs/dbraw/zinc/63/96/21/441639621.db2.gz FEURWDHOLMCYIJ-UHFFFAOYSA-N 1 3 333.432 1.802 20 0 EDADHO C[C@@H](NC(=O)c1ccnc(OCCN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000137231397 441757495 /nfs/dbraw/zinc/75/74/95/441757495.db2.gz ZJPYLPGKRAVQSY-CQSZACIVSA-N 1 3 336.480 1.728 20 0 EDADHO C[C@H]1C[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000158803149 441765690 /nfs/dbraw/zinc/76/56/90/441765690.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 1 3 346.519 1.820 20 0 EDADHO C[C@H]1C[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000158803149 441765697 /nfs/dbraw/zinc/76/56/97/441765697.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 1 3 346.519 1.820 20 0 EDADHO CN(C)C[C@](C)(O)CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000121723090 441765926 /nfs/dbraw/zinc/76/59/26/441765926.db2.gz HTQNERKITULWBP-QGZVFWFLSA-N 1 3 328.501 1.253 20 0 EDADHO CN(C)C[C@](C)(O)CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000121723090 441765930 /nfs/dbraw/zinc/76/59/30/441765930.db2.gz HTQNERKITULWBP-QGZVFWFLSA-N 1 3 328.501 1.253 20 0 EDADHO Cc1nc(COc2ccc(C[NH2+]CC3(O)CCN(C)CC3)cc2)no1 ZINC000077450323 441782832 /nfs/dbraw/zinc/78/28/32/441782832.db2.gz BGTQSGNGEFVHNT-UHFFFAOYSA-N 1 3 346.431 1.503 20 0 EDADHO CN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000124347942 441920720 /nfs/dbraw/zinc/92/07/20/441920720.db2.gz VAYGEEOEOBXCCG-UHFFFAOYSA-N 1 3 344.503 1.798 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118095874 441887209 /nfs/dbraw/zinc/88/72/09/441887209.db2.gz IUAGLRSEQYPNMS-KRWDZBQOSA-N 1 3 346.475 1.330 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175077473 442002271 /nfs/dbraw/zinc/00/22/71/442002271.db2.gz PISZCEVQMWTDRG-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000151000881 441989185 /nfs/dbraw/zinc/98/91/85/441989185.db2.gz LALGFTDTAJQDLV-OAHLLOKOSA-N 1 3 343.479 1.339 20 0 EDADHO Cc1cnc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000079082231 442017977 /nfs/dbraw/zinc/01/79/77/442017977.db2.gz WWAMFNUCPNSKBV-ZDUSSCGKSA-N 1 3 327.498 1.647 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458670217 447446810 /nfs/dbraw/zinc/44/68/10/447446810.db2.gz XDALCIFPBQIFTE-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000163517304 442171704 /nfs/dbraw/zinc/17/17/04/442171704.db2.gz OZNNLXUBYKSXRP-WBVHZDCISA-N 1 3 338.540 1.543 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000152890942 442249797 /nfs/dbraw/zinc/24/97/97/442249797.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000152890942 442249801 /nfs/dbraw/zinc/24/98/01/442249801.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@]3(C)CO)CC2)CC1 ZINC000128414308 442265548 /nfs/dbraw/zinc/26/55/48/442265548.db2.gz XLDIFJFJSOXRQE-SFHVURJKSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286509 442273101 /nfs/dbraw/zinc/27/31/01/442273101.db2.gz ZSUQGHCUYOFRKC-ORIJERBGSA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286509 442273104 /nfs/dbraw/zinc/27/31/04/442273104.db2.gz ZSUQGHCUYOFRKC-ORIJERBGSA-N 1 3 336.432 1.473 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000171189190 442324797 /nfs/dbraw/zinc/32/47/97/442324797.db2.gz JATROWNBJBENJG-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO CN(C)CCN1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130576023 442350365 /nfs/dbraw/zinc/35/03/65/442350365.db2.gz WQYRMLCPXALGOI-INIZCTEOSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000178849552 442501882 /nfs/dbraw/zinc/50/18/82/442501882.db2.gz IYWPLVNNOTVJCO-GOSISDBHSA-N 1 3 333.476 1.562 20 0 EDADHO CCOC[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156941092 442535378 /nfs/dbraw/zinc/53/53/78/442535378.db2.gz JXSHGONEYJMAEH-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO CCOC[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156941092 442535383 /nfs/dbraw/zinc/53/53/83/442535383.db2.gz JXSHGONEYJMAEH-QAPCUYQASA-N 1 3 333.476 1.899 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186711353 442598352 /nfs/dbraw/zinc/59/83/52/442598352.db2.gz XTWNBXPCTHFXJO-APWZRJJASA-N 1 3 344.503 1.945 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733472 442602711 /nfs/dbraw/zinc/60/27/11/442602711.db2.gz SDWULZHADOHLQF-APWZRJJASA-N 1 3 333.476 1.897 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398840 442739055 /nfs/dbraw/zinc/73/90/55/442739055.db2.gz OQLVBBQTSORKGJ-YYZRRKBYSA-N 1 3 337.508 1.473 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398840 442739058 /nfs/dbraw/zinc/73/90/58/442739058.db2.gz OQLVBBQTSORKGJ-YYZRRKBYSA-N 1 3 337.508 1.473 20 0 EDADHO C[N@H+](CCN1CCN(CCC2OCCCO2)CC1)Cc1ccccc1 ZINC000267966132 442802222 /nfs/dbraw/zinc/80/22/22/442802222.db2.gz UPEHEGPSPFBLBO-UHFFFAOYSA-N 1 3 347.503 1.889 20 0 EDADHO C[N@@H+](CCN1CCN(CCC2OCCCO2)CC1)Cc1ccccc1 ZINC000267966132 442802225 /nfs/dbraw/zinc/80/22/25/442802225.db2.gz UPEHEGPSPFBLBO-UHFFFAOYSA-N 1 3 347.503 1.889 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268028532 442823186 /nfs/dbraw/zinc/82/31/86/442823186.db2.gz LPCDYEILALHSTN-UHFFFAOYSA-N 1 3 340.468 1.321 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccco1 ZINC000268028532 442823188 /nfs/dbraw/zinc/82/31/88/442823188.db2.gz LPCDYEILALHSTN-UHFFFAOYSA-N 1 3 340.468 1.321 20 0 EDADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000268988903 443167264 /nfs/dbraw/zinc/16/72/64/443167264.db2.gz MCPOWOZIKYUBCA-LBPRGKRZSA-N 1 3 340.855 1.498 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269226900 443240663 /nfs/dbraw/zinc/24/06/63/443240663.db2.gz FKNRBQGRFCPIGC-LPHOPBHVSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)C1 ZINC000269226900 443240666 /nfs/dbraw/zinc/24/06/66/443240666.db2.gz FKNRBQGRFCPIGC-LPHOPBHVSA-N 1 3 345.487 1.913 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCC1 ZINC000262854425 443214949 /nfs/dbraw/zinc/21/49/49/443214949.db2.gz SQYLQTBAFDRIDB-HOTGVXAUSA-N 1 3 331.464 1.508 20 0 EDADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(C(N)=O)cs2)C[C@H](C)O1 ZINC000269163243 443218109 /nfs/dbraw/zinc/21/81/09/443218109.db2.gz VQLDQINWSVARLS-STQMWFEESA-N 1 3 325.478 1.826 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397492479 319134720 /nfs/dbraw/zinc/13/47/20/319134720.db2.gz ATHGRIOMCLAGBN-HNNXBMFYSA-N 1 3 341.496 1.822 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064052 319314808 /nfs/dbraw/zinc/31/48/08/319314808.db2.gz FHQORNRUNKEDBX-OLZOCXBDSA-N 1 3 342.281 1.931 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000414665013 319338305 /nfs/dbraw/zinc/33/83/05/319338305.db2.gz DGGIQEGUHKKOBJ-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415242317 319356105 /nfs/dbraw/zinc/35/61/05/319356105.db2.gz UMKUCWFZXRDRFX-ZDUSSCGKSA-N 1 3 332.448 1.116 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415242317 319356107 /nfs/dbraw/zinc/35/61/07/319356107.db2.gz UMKUCWFZXRDRFX-ZDUSSCGKSA-N 1 3 332.448 1.116 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000269268278 443259536 /nfs/dbraw/zinc/25/95/36/443259536.db2.gz QQPQIISSESNWDQ-QGZVFWFLSA-N 1 3 346.475 1.454 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H](O)c3ccccc3)CC2)CC1 ZINC000266887824 443281092 /nfs/dbraw/zinc/28/10/92/443281092.db2.gz VIXWARDXRAXFJK-GOSISDBHSA-N 1 3 331.460 1.395 20 0 EDADHO CCN(CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000186055593 443304513 /nfs/dbraw/zinc/30/45/13/443304513.db2.gz AKWCBGNYZVUKFA-UHFFFAOYSA-N 1 3 347.503 1.719 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000272367300 443604474 /nfs/dbraw/zinc/60/44/74/443604474.db2.gz ZZKCVXIDANEXOQ-SJORKVTESA-N 1 3 330.476 1.394 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344242 320045320 /nfs/dbraw/zinc/04/53/20/320045320.db2.gz DUHRTRGKQCRKQC-IAGOWNOFSA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000441221239 320093154 /nfs/dbraw/zinc/09/31/54/320093154.db2.gz CRIFRSHBTLVZKO-IAGOWNOFSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CN1C1CC1 ZINC000441397958 320093920 /nfs/dbraw/zinc/09/39/20/320093920.db2.gz RPBQRAWZYXDJCJ-GJZGRUSLSA-N 1 3 338.496 1.364 20 0 EDADHO CCN1C[C@@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CC1=O ZINC000449517637 320193453 /nfs/dbraw/zinc/19/34/53/320193453.db2.gz LALVWMNYPKWYCI-KRWDZBQOSA-N 1 3 330.476 1.539 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328085 /nfs/dbraw/zinc/32/80/85/320328085.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 1 3 328.460 1.606 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328086 /nfs/dbraw/zinc/32/80/86/320328086.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 1 3 328.460 1.606 20 0 EDADHO CNC(=O)c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241063 320617282 /nfs/dbraw/zinc/61/72/82/320617282.db2.gz PFUNBHULFTWOCQ-GOSISDBHSA-N 1 3 331.460 1.637 20 0 EDADHO CN1CCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843722 /nfs/dbraw/zinc/84/37/22/443843722.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 1 3 330.476 1.782 20 0 EDADHO CN1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843726 /nfs/dbraw/zinc/84/37/26/443843726.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 1 3 330.476 1.782 20 0 EDADHO C[N@@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000298705120 443844568 /nfs/dbraw/zinc/84/45/68/443844568.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000298705120 443844570 /nfs/dbraw/zinc/84/45/70/443844570.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CN1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844572 /nfs/dbraw/zinc/84/45/72/443844572.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CN1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844573 /nfs/dbraw/zinc/84/45/73/443844573.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CC(C)c1noc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000531357258 320656619 /nfs/dbraw/zinc/65/66/19/320656619.db2.gz KTQFKYDSNUIJGY-UHFFFAOYSA-N 1 3 325.457 1.077 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000288544731 443913554 /nfs/dbraw/zinc/91/35/54/443913554.db2.gz FNPXGOMBHFHBOV-INIZCTEOSA-N 1 3 333.432 1.179 20 0 EDADHO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(=O)NCCN(C)C ZINC000552077762 320922989 /nfs/dbraw/zinc/92/29/89/320922989.db2.gz WWIKPTPGTRYLNP-HNNXBMFYSA-N 1 3 346.475 1.079 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959347 321083744 /nfs/dbraw/zinc/08/37/44/321083744.db2.gz BESFYHNNDQNSJN-URLQWDBASA-N 1 3 344.459 1.636 20 0 EDADHO CN(C)c1[nH+]ccc2cc(NC[C@H](O)CN3CCN(C)CC3)ccc21 ZINC000563009934 321087641 /nfs/dbraw/zinc/08/76/41/321087641.db2.gz NYVOWHZCIQBGGO-KRWDZBQOSA-N 1 3 343.475 1.321 20 0 EDADHO CCCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099956 321095324 /nfs/dbraw/zinc/09/53/24/321095324.db2.gz ILJAGAYUJHVMMU-ROUUACIJSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(CCN(C)C)CC2)nc1 ZINC000564855612 321151648 /nfs/dbraw/zinc/15/16/48/321151648.db2.gz CYZLUZYERBCXHQ-UHFFFAOYSA-N 1 3 333.480 1.334 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000565765726 321199681 /nfs/dbraw/zinc/19/96/81/321199681.db2.gz IGVPFSNYGQJOIA-QGZVFWFLSA-N 1 3 330.476 1.905 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000565881038 321204575 /nfs/dbraw/zinc/20/45/75/321204575.db2.gz BUCLSQDTMHMNSJ-CABCVRRESA-N 1 3 338.402 1.557 20 0 EDADHO CC(C)N(C)CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299668961 444110495 /nfs/dbraw/zinc/11/04/95/444110495.db2.gz IQSWTVDXNJJCSW-UHFFFAOYSA-N 1 3 332.492 1.887 20 0 EDADHO CCc1oc(C(=O)OC)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000289464773 444151568 /nfs/dbraw/zinc/15/15/68/444151568.db2.gz QLNHAQRGKJLFFI-UHFFFAOYSA-N 1 3 339.480 1.944 20 0 EDADHO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000296063252 444201905 /nfs/dbraw/zinc/20/19/05/444201905.db2.gz WBMIACVQXLLNOV-WWTUQBGBSA-N 1 3 337.489 1.871 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CC3(O)CCCCC3)CC2)CC1 ZINC000304428612 444249673 /nfs/dbraw/zinc/24/96/73/444249673.db2.gz LNOVPOWGNYRHBR-UHFFFAOYSA-N 1 3 337.508 1.747 20 0 EDADHO CC(C)N(C[C@H](C)O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305017011 444255126 /nfs/dbraw/zinc/25/51/26/444255126.db2.gz FAZAOYFHIMKUMR-HNNXBMFYSA-N 1 3 340.512 1.346 20 0 EDADHO C[C@H](O)[C@@H]1CCCN(CCOCC[N@@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271992 /nfs/dbraw/zinc/27/19/92/444271992.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@H](O)[C@@H]1CCCN(CCOCC[N@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271993 /nfs/dbraw/zinc/27/19/93/444271993.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@H](O)[C@@H]1CCC[N@@H+](CCOCCN2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271995 /nfs/dbraw/zinc/27/19/95/444271995.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 1 3 328.497 1.189 20 0 EDADHO C[C@H](O)[C@@H]1CCC[N@H+](CCOCCN2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271997 /nfs/dbraw/zinc/27/19/97/444271997.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 1 3 328.497 1.189 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289953706 444224018 /nfs/dbraw/zinc/22/40/18/444224018.db2.gz PJVYQCNLMIKOCK-MRXNPFEDSA-N 1 3 333.432 1.892 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242564 444235128 /nfs/dbraw/zinc/23/51/28/444235128.db2.gz CEQZKSUDJDRNPC-HOTGVXAUSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290100667 444242436 /nfs/dbraw/zinc/24/24/36/444242436.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 1 3 328.460 1.960 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290100667 444242437 /nfs/dbraw/zinc/24/24/37/444242437.db2.gz WVNUBNPVEKKUBO-GDBMZVCRSA-N 1 3 328.460 1.960 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)ccc1OCCN(C)C ZINC000577400302 321649980 /nfs/dbraw/zinc/64/99/80/321649980.db2.gz VOELUNOIWKBSEM-DZGCQCFKSA-N 1 3 335.448 1.250 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027886 444364768 /nfs/dbraw/zinc/36/47/68/444364768.db2.gz WJBNNGPJOORIDL-OWCLPIDISA-N 1 3 325.497 1.599 20 0 EDADHO CN(C)C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000579814711 321973295 /nfs/dbraw/zinc/97/32/95/321973295.db2.gz BHSNNYTXUSGXIH-MRXNPFEDSA-N 1 3 344.503 1.775 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300424 322032876 /nfs/dbraw/zinc/03/28/76/322032876.db2.gz KTQSHQPDJBIEHW-YDHLFZDLSA-N 1 3 344.450 1.936 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300424 322032878 /nfs/dbraw/zinc/03/28/78/322032878.db2.gz KTQSHQPDJBIEHW-YDHLFZDLSA-N 1 3 344.450 1.936 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@@H]21 ZINC000580341004 322039676 /nfs/dbraw/zinc/03/96/76/322039676.db2.gz JGJHSVKYNALCJA-KKUMJFAQSA-N 1 3 334.464 1.313 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@@H]21 ZINC000580341004 322039677 /nfs/dbraw/zinc/03/96/77/322039677.db2.gz JGJHSVKYNALCJA-KKUMJFAQSA-N 1 3 334.464 1.313 20 0 EDADHO [NH3+]C[C@@H]1CCCCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000581180915 322145475 /nfs/dbraw/zinc/14/54/75/322145475.db2.gz XFVPARFFXOJHAT-KRWDZBQOSA-N 1 3 331.464 1.821 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247063 322153955 /nfs/dbraw/zinc/15/39/55/322153955.db2.gz OFAVPPFDLZBGBH-JKSUJKDBSA-N 1 3 340.439 1.656 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247063 322153958 /nfs/dbraw/zinc/15/39/58/322153958.db2.gz OFAVPPFDLZBGBH-JKSUJKDBSA-N 1 3 340.439 1.656 20 0 EDADHO COC[C@@]1(CNC(=O)N2CCc3ccccc3[C@H]2CN)CCC[NH2+]1 ZINC000581487543 322183684 /nfs/dbraw/zinc/18/36/84/322183684.db2.gz USFLBMMMKZHTEV-AEFFLSMTSA-N 1 3 332.448 1.023 20 0 EDADHO Cc1ccc(NC[C@H](O)CN(C)C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000581939660 322235265 /nfs/dbraw/zinc/23/52/65/322235265.db2.gz SKPOZGMTHLWEPX-KRWDZBQOSA-N 1 3 348.491 1.752 20 0 EDADHO CC(C)COC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343707964 444534621 /nfs/dbraw/zinc/53/46/21/444534621.db2.gz CAPJPEOVQJBDRR-WMZOPIPTSA-N 1 3 327.513 1.120 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000342158177 444539429 /nfs/dbraw/zinc/53/94/29/444539429.db2.gz GZOHABVHAVLKSR-KRWDZBQOSA-N 1 3 330.476 1.827 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 ZINC000338164423 444543422 /nfs/dbraw/zinc/54/34/22/444543422.db2.gz HCNDINMTXNTYHZ-UHFFFAOYSA-N 1 3 346.519 1.848 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C ZINC000343823105 444611831 /nfs/dbraw/zinc/61/18/31/444611831.db2.gz SZWWIACZCNBNGC-HLLBOEOZSA-N 1 3 338.496 1.269 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341057040 444656057 /nfs/dbraw/zinc/65/60/57/444656057.db2.gz NOIKOJWOHCHKBW-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000341108496 444678393 /nfs/dbraw/zinc/67/83/93/444678393.db2.gz IVWMVUINRIVHNE-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000341108496 444678394 /nfs/dbraw/zinc/67/83/94/444678394.db2.gz IVWMVUINRIVHNE-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343876983 444640852 /nfs/dbraw/zinc/64/08/52/444640852.db2.gz WQQSEFCLCCANKM-IKGGRYGDSA-N 1 3 327.513 1.120 20 0 EDADHO CC[C@H]1CCCCN1C(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344040537 444744101 /nfs/dbraw/zinc/74/41/01/444744101.db2.gz VFALQLGXUMNJTA-KRWDZBQOSA-N 1 3 326.529 1.593 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)Cc1ccccc1 ZINC000344134933 444800045 /nfs/dbraw/zinc/80/00/45/444800045.db2.gz RKIWDUOYGFYREL-HXUWFJFHSA-N 1 3 333.520 1.940 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)Cc1ccccc1 ZINC000344134933 444800049 /nfs/dbraw/zinc/80/00/49/444800049.db2.gz RKIWDUOYGFYREL-HXUWFJFHSA-N 1 3 333.520 1.940 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000342772857 444859955 /nfs/dbraw/zinc/85/99/55/444859955.db2.gz BDEVCZKHBHXBJE-NXHRZFHOSA-N 1 3 335.492 1.715 20 0 EDADHO CC(=O)NC1CCC([N@@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337312234 445027441 /nfs/dbraw/zinc/02/74/41/445027441.db2.gz DVEFLZHXHGWFAG-UHFFFAOYSA-N 1 3 338.540 1.782 20 0 EDADHO CC(=O)NC1CCC([N@H+](C)CCCN2CCN(C(C)C)CC2)CC1 ZINC000337312234 445027445 /nfs/dbraw/zinc/02/74/45/445027445.db2.gz DVEFLZHXHGWFAG-UHFFFAOYSA-N 1 3 338.540 1.782 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000343013912 445006135 /nfs/dbraw/zinc/00/61/35/445006135.db2.gz GTFQAMMVYHEODT-UHFFFAOYSA-N 1 3 340.512 1.023 20 0 EDADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000337380141 445055737 /nfs/dbraw/zinc/05/57/37/445055737.db2.gz YEZPWPYLUVWSJV-MSOLQXFVSA-N 1 3 327.513 1.528 20 0 EDADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000337380141 445055738 /nfs/dbraw/zinc/05/57/38/445055738.db2.gz YEZPWPYLUVWSJV-MSOLQXFVSA-N 1 3 327.513 1.528 20 0 EDADHO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCCN(Cc2ccccc2)CC1 ZINC000343093545 445059186 /nfs/dbraw/zinc/05/91/86/445059186.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 1 3 342.487 1.111 20 0 EDADHO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCCN(Cc2ccccc2)CC1 ZINC000343093545 445059192 /nfs/dbraw/zinc/05/91/92/445059192.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 1 3 342.487 1.111 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)CN2C)C1 ZINC000344530136 445037889 /nfs/dbraw/zinc/03/78/89/445037889.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)CN2C)C1 ZINC000344530136 445037895 /nfs/dbraw/zinc/03/78/95/445037895.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CC[C@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)[NH+](CC)CC ZINC000354510911 445271276 /nfs/dbraw/zinc/27/12/76/445271276.db2.gz MMUJNSNQPAWRBH-MRXNPFEDSA-N 1 3 326.529 1.639 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC000348108188 445271649 /nfs/dbraw/zinc/27/16/49/445271649.db2.gz JUNLBTGBXCYLAA-BBWFWOEESA-N 1 3 338.496 1.365 20 0 EDADHO OCCN1CCN(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348237421 445324923 /nfs/dbraw/zinc/32/49/23/445324923.db2.gz CZLBLDSLYYIMIX-PMACEKPBSA-N 1 3 331.504 1.770 20 0 EDADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCOC(C)(C)C1 ZINC000351950599 445394805 /nfs/dbraw/zinc/39/48/05/445394805.db2.gz WOOAPGUPBNXWOF-INIZCTEOSA-N 1 3 325.497 1.866 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563296 445441091 /nfs/dbraw/zinc/44/10/91/445441091.db2.gz XVQWSTTXDAYPNR-CVEARBPZSA-N 1 3 341.459 1.389 20 0 EDADHO Cc1cc(NC(=O)CCOC2CNC2)ccc1OCC[NH+]1CCCC1 ZINC000348996378 445470528 /nfs/dbraw/zinc/47/05/28/445470528.db2.gz XNSMAUIPHQJVDN-UHFFFAOYSA-N 1 3 347.459 1.787 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000352114917 445501796 /nfs/dbraw/zinc/50/17/96/445501796.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000352114917 445501798 /nfs/dbraw/zinc/50/17/98/445501798.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 1 3 349.523 1.190 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604395 /nfs/dbraw/zinc/60/43/95/445604395.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 1 3 340.512 1.214 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604399 /nfs/dbraw/zinc/60/43/99/445604399.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)CCN(C)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000356086285 445611748 /nfs/dbraw/zinc/61/17/48/445611748.db2.gz BWQJEYDEKDSRPS-UHFFFAOYSA-N 1 3 336.480 1.373 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NCCN1CCc2ccccc21 ZINC000358520535 445630543 /nfs/dbraw/zinc/63/05/43/445630543.db2.gz VUTQKEIQGBGMRI-UHFFFAOYSA-N 1 3 342.487 1.241 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000358534026 445638793 /nfs/dbraw/zinc/63/87/93/445638793.db2.gz KADHGDKYEMDJFZ-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000358534026 445638797 /nfs/dbraw/zinc/63/87/97/445638797.db2.gz KADHGDKYEMDJFZ-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878418 445593277 /nfs/dbraw/zinc/59/32/77/445593277.db2.gz VWTFWVHTTHVRKU-KDOFPFPSSA-N 1 3 331.460 1.780 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878418 445593279 /nfs/dbraw/zinc/59/32/79/445593279.db2.gz VWTFWVHTTHVRKU-KDOFPFPSSA-N 1 3 331.460 1.780 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469761 445774853 /nfs/dbraw/zinc/77/48/53/445774853.db2.gz NKZFCLUVFBWAIO-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358865575 445819321 /nfs/dbraw/zinc/81/93/21/445819321.db2.gz MZKSTVGCWJLBCV-KRWDZBQOSA-N 1 3 336.455 1.010 20 0 EDADHO CN(C[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363481547 445822781 /nfs/dbraw/zinc/82/27/81/445822781.db2.gz TUBBSDZEKYPDLE-UXHICEINSA-N 1 3 331.504 1.690 20 0 EDADHO CN(C[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363481547 445822784 /nfs/dbraw/zinc/82/27/84/445822784.db2.gz TUBBSDZEKYPDLE-UXHICEINSA-N 1 3 331.504 1.690 20 0 EDADHO CC(C)N(C)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363448459 445807563 /nfs/dbraw/zinc/80/75/63/445807563.db2.gz YXHIFCATMIDROP-HZPDHXFCSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000363538124 445849994 /nfs/dbraw/zinc/84/99/94/445849994.db2.gz MOALGXYELXTDPY-BSDSXHPESA-N 1 3 325.497 1.186 20 0 EDADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000363538124 445849998 /nfs/dbraw/zinc/84/99/98/445849998.db2.gz MOALGXYELXTDPY-BSDSXHPESA-N 1 3 325.497 1.186 20 0 EDADHO CCn1nc(C)c(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000354041015 445870299 /nfs/dbraw/zinc/87/02/99/445870299.db2.gz QJYISPMMNGCMEG-DNVCBOLYSA-N 1 3 333.524 1.978 20 0 EDADHO CCn1nc(C)c(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000354041015 445870300 /nfs/dbraw/zinc/87/03/00/445870300.db2.gz QJYISPMMNGCMEG-DNVCBOLYSA-N 1 3 333.524 1.978 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000582052010 325761057 /nfs/dbraw/zinc/76/10/57/325761057.db2.gz DFSFQMPXJSTONB-OIISXLGYSA-N 1 3 335.423 1.014 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000361790721 445948918 /nfs/dbraw/zinc/94/89/18/445948918.db2.gz VZYPHNIWGIRTMB-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CCCCOC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000366133608 446034401 /nfs/dbraw/zinc/03/44/01/446034401.db2.gz YGTRYPHUWWXUJM-KURKYZTESA-N 1 3 327.513 1.122 20 0 EDADHO C[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[C@H]([NH3+])c1ccccc1 ZINC000583084142 325996567 /nfs/dbraw/zinc/99/65/67/325996567.db2.gz YGSZABIIYZDMBC-XKQJLSEDSA-N 1 3 342.447 1.236 20 0 EDADHO C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@H](N)c1ccccc1 ZINC000583203663 326025949 /nfs/dbraw/zinc/02/59/49/326025949.db2.gz QCQWDLJEBARKRG-NBMRYCAZSA-N 1 3 331.460 1.677 20 0 EDADHO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000359223429 446053507 /nfs/dbraw/zinc/05/35/07/446053507.db2.gz RYLUOWBANQHLHG-LJQANCHMSA-N 1 3 344.503 1.648 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000356836172 446057591 /nfs/dbraw/zinc/05/75/91/446057591.db2.gz HBWPEIJPTBZGPQ-QZTJIDSGSA-N 1 3 332.492 1.998 20 0 EDADHO CN1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063430 /nfs/dbraw/zinc/06/34/30/446063430.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 1 3 345.491 1.567 20 0 EDADHO CN1CCCC[C@@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063433 /nfs/dbraw/zinc/06/34/33/446063433.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 1 3 345.491 1.567 20 0 EDADHO c1ccc(-c2nnn(CCCCCN3C[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359270628 446108075 /nfs/dbraw/zinc/10/80/75/446108075.db2.gz FPJSBPLLKHVPBS-IRXDYDNUSA-N 1 3 326.448 1.662 20 0 EDADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000373262521 446130694 /nfs/dbraw/zinc/13/06/94/446130694.db2.gz XRSOKASWBZFZBN-CABCVRRESA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000373262521 446130696 /nfs/dbraw/zinc/13/06/96/446130696.db2.gz XRSOKASWBZFZBN-CABCVRRESA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564592 446162696 /nfs/dbraw/zinc/16/26/96/446162696.db2.gz SVPLBUKYORFVKB-HOCLYGCPSA-N 1 3 337.489 1.605 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000366327170 446154230 /nfs/dbraw/zinc/15/42/30/446154230.db2.gz SPVGPRAREPVBSH-KZNAEPCWSA-N 1 3 330.476 1.927 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339727 446156925 /nfs/dbraw/zinc/15/69/25/446156925.db2.gz MPGBRILSDBYBPQ-DJIMGWMZSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339727 446156930 /nfs/dbraw/zinc/15/69/30/446156930.db2.gz MPGBRILSDBYBPQ-DJIMGWMZSA-N 1 3 338.496 1.269 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453631 446215883 /nfs/dbraw/zinc/21/58/83/446215883.db2.gz XVMDOGJHDRSECT-HUUCEWRRSA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453631 446215884 /nfs/dbraw/zinc/21/58/84/446215884.db2.gz XVMDOGJHDRSECT-HUUCEWRRSA-N 1 3 327.469 1.060 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3ccncc3)CC2)CC[NH2+]1 ZINC000373514163 446244730 /nfs/dbraw/zinc/24/47/30/446244730.db2.gz IKJVFHZMMZIRIS-RDJZCZTQSA-N 1 3 330.476 1.593 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231730 /nfs/dbraw/zinc/23/17/30/446231730.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 1 3 343.471 1.739 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366479515 446231734 /nfs/dbraw/zinc/23/17/34/446231734.db2.gz HEOLTJUPZPZACX-DLBZAZTESA-N 1 3 343.471 1.739 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)[C@H]1Oc1ccccc1 ZINC000359618665 446322216 /nfs/dbraw/zinc/32/22/16/446322216.db2.gz HODVSVGGZFJZOY-KZNAEPCWSA-N 1 3 334.460 1.658 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000417529297 446362777 /nfs/dbraw/zinc/36/27/77/446362777.db2.gz QPRPSAIZGUEKBC-INIZCTEOSA-N 1 3 334.464 1.078 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000417946160 446394359 /nfs/dbraw/zinc/39/43/59/446394359.db2.gz GHSCCFAWNYNFSN-GDBMZVCRSA-N 1 3 349.479 1.148 20 0 EDADHO CC[NH2+]CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418067791 446430075 /nfs/dbraw/zinc/43/00/75/446430075.db2.gz BZTUWQLOALKEQC-QGZVFWFLSA-N 1 3 334.464 1.186 20 0 EDADHO CCCN1CCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000370777834 446434690 /nfs/dbraw/zinc/43/46/90/446434690.db2.gz CLKZFOFWEMMIRI-UHFFFAOYSA-N 1 3 334.468 1.069 20 0 EDADHO COc1ccc([C@H](N[C@H]2CCCN(CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147755 446440762 /nfs/dbraw/zinc/44/07/62/446440762.db2.gz SSBXDLGRBJOOSD-SXLOBPIMSA-N 1 3 347.503 1.925 20 0 EDADHO CN1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccs1 ZINC000370785215 446441308 /nfs/dbraw/zinc/44/13/08/446441308.db2.gz CSKXYACBFSMXJT-XJKCOSOUSA-N 1 3 339.530 1.952 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417981813 446407267 /nfs/dbraw/zinc/40/72/67/446407267.db2.gz ANVDCYOAONQWHZ-YJBOKZPZSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccncc2OCCN(C)C)[C@H](C[NH3+])C1 ZINC000418192239 446455686 /nfs/dbraw/zinc/45/56/86/446455686.db2.gz MEEFSTMQGURTOM-HOCLYGCPSA-N 1 3 349.479 1.291 20 0 EDADHO CCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000420317143 446481308 /nfs/dbraw/zinc/48/13/08/446481308.db2.gz NIZUMFVRISNQML-HNNXBMFYSA-N 1 3 332.448 1.905 20 0 EDADHO CCN(CC)C(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420310972 446473606 /nfs/dbraw/zinc/47/36/06/446473606.db2.gz VPHMNWBDYPVUAP-OALUTQOASA-N 1 3 347.503 1.498 20 0 EDADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420310496 446473798 /nfs/dbraw/zinc/47/37/98/446473798.db2.gz VCIYSQKAAGKVAU-HNNXBMFYSA-N 1 3 334.439 1.381 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418283500 446483274 /nfs/dbraw/zinc/48/32/74/446483274.db2.gz KNSNPSLGQVCWGQ-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO FC(F)n1ccnc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420323622 446489757 /nfs/dbraw/zinc/48/97/57/446489757.db2.gz UMHWYAFGQQQIFR-AWEZNQCLSA-N 1 3 327.423 1.786 20 0 EDADHO O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@H](N2CCCCC2)C1 ZINC000423371813 446505452 /nfs/dbraw/zinc/50/54/52/446505452.db2.gz FURQGVJPZBDBOA-GJZGRUSLSA-N 1 3 331.464 1.577 20 0 EDADHO N[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000418335357 446505958 /nfs/dbraw/zinc/50/59/58/446505958.db2.gz ZLYXVEMLGXXHOG-QGZVFWFLSA-N 1 3 327.432 1.561 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423354782 446498056 /nfs/dbraw/zinc/49/80/56/446498056.db2.gz GXLLJYPNWAYNJI-UIBIWLFHSA-N 1 3 339.524 1.954 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329724 446499170 /nfs/dbraw/zinc/49/91/70/446499170.db2.gz OVOOHIXTJXLLGX-HUUCEWRRSA-N 1 3 337.414 1.903 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350402 446560024 /nfs/dbraw/zinc/56/00/24/446560024.db2.gz FCIUNHYCKHKHJN-PKOBYXMFSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000418391576 446525735 /nfs/dbraw/zinc/52/57/35/446525735.db2.gz CCCBFGJTRKUPRU-QAPCUYQASA-N 1 3 330.476 1.887 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418400623 446529548 /nfs/dbraw/zinc/52/95/48/446529548.db2.gz YCEUYMSTIZBHEV-OAGGEKHMSA-N 1 3 340.512 1.373 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH3+] ZINC000418413409 446534543 /nfs/dbraw/zinc/53/45/43/446534543.db2.gz JKXVCCUSRRMOEW-MRXNPFEDSA-N 1 3 333.480 1.815 20 0 EDADHO [NH3+][C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000418454311 446549312 /nfs/dbraw/zinc/54/93/12/446549312.db2.gz QCRREXMZBLRQLY-GOSISDBHSA-N 1 3 346.475 1.440 20 0 EDADHO [NH3+][C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC000418454313 446549566 /nfs/dbraw/zinc/54/95/66/446549566.db2.gz QCRREXMZBLRQLY-SFHVURJKSA-N 1 3 346.475 1.440 20 0 EDADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423480354 446552238 /nfs/dbraw/zinc/55/22/38/446552238.db2.gz VUCVCDDZTDQGQA-MDNKFWRPSA-N 1 3 347.478 1.875 20 0 EDADHO CCN(CC)CC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371078201 446614202 /nfs/dbraw/zinc/61/42/02/446614202.db2.gz FFBAIABBYRHOAB-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO COc1ccccc1OCCN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420392950 446569216 /nfs/dbraw/zinc/56/92/16/446569216.db2.gz WRQWSDGRJJEHTE-CVEARBPZSA-N 1 3 332.444 1.774 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000423572430 446581127 /nfs/dbraw/zinc/58/11/27/446581127.db2.gz XFCLURITIHLNRG-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000420476597 446649262 /nfs/dbraw/zinc/64/92/62/446649262.db2.gz IPAGQUYVNRTLSP-HIFRSBDPSA-N 1 3 325.478 1.354 20 0 EDADHO OCc1cn(CCC[NH2+]C2CCN(CC3CCCCC3)CC2)nn1 ZINC000368085440 446631179 /nfs/dbraw/zinc/63/11/79/446631179.db2.gz UHQGSQGPRIZMIK-UHFFFAOYSA-N 1 3 335.496 1.795 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418786767 446701951 /nfs/dbraw/zinc/70/19/51/446701951.db2.gz JIAOGHZLYVCLBF-MRXNPFEDSA-N 1 3 326.485 1.272 20 0 EDADHO CN(CCCN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccco1 ZINC000418794032 446706025 /nfs/dbraw/zinc/70/60/25/446706025.db2.gz QQJRUCCSBSZMME-INIZCTEOSA-N 1 3 338.452 1.121 20 0 EDADHO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)nnn1C1CC[NH2+]CC1 ZINC000371262770 446724465 /nfs/dbraw/zinc/72/44/65/446724465.db2.gz PUWUWALCFGFREV-HOTGVXAUSA-N 1 3 346.479 1.210 20 0 EDADHO C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000371303009 446758415 /nfs/dbraw/zinc/75/84/15/446758415.db2.gz MGJNCCVXXAUVIM-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@H]1N1CCN(C)CC1 ZINC000371303009 446758417 /nfs/dbraw/zinc/75/84/17/446758417.db2.gz MGJNCCVXXAUVIM-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418872146 446764615 /nfs/dbraw/zinc/76/46/15/446764615.db2.gz WGIHRJJABVUNNQ-HUUCEWRRSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368335367 446793054 /nfs/dbraw/zinc/79/30/54/446793054.db2.gz YUSZOBAODRHKNR-INIZCTEOSA-N 1 3 338.540 1.639 20 0 EDADHO CC1CCN([C@H](CNC(=O)C(=O)NCCC[NH3+])c2ccccc2)CC1 ZINC000418948793 446820906 /nfs/dbraw/zinc/82/09/06/446820906.db2.gz QVRSHKKGIDMTNP-QGZVFWFLSA-N 1 3 346.475 1.041 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@]2(N(C)C)CCCSC2)C[C@H]1[NH+](C)C ZINC000371364472 446808188 /nfs/dbraw/zinc/80/81/88/446808188.db2.gz NROFYVPHNZLVNT-UMVBOHGHSA-N 1 3 331.551 1.318 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419018012 446869748 /nfs/dbraw/zinc/86/97/48/446869748.db2.gz BICLFGVWELMAPM-LSDHHAIUSA-N 1 3 340.512 1.103 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419148660 446964580 /nfs/dbraw/zinc/96/45/80/446964580.db2.gz DMNKDHNQHGFOBH-ARFHVFGLSA-N 1 3 338.496 1.001 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419229105 447020074 /nfs/dbraw/zinc/02/00/74/447020074.db2.gz NPPXFGZKMBONNE-JKSUJKDBSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[NH+](C)C ZINC000454821016 446977159 /nfs/dbraw/zinc/97/71/59/446977159.db2.gz QYMHBEXUQDHXHB-WMLDXEAASA-N 1 3 334.464 1.003 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H](N)c1ccccc1 ZINC000372099443 447000671 /nfs/dbraw/zinc/00/06/71/447000671.db2.gz UVYDISXFPHYMQE-YTQUADARSA-N 1 3 344.503 1.561 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[C@@H](N)c1ccccc1 ZINC000372099443 447000678 /nfs/dbraw/zinc/00/06/78/447000678.db2.gz UVYDISXFPHYMQE-YTQUADARSA-N 1 3 344.503 1.561 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000377389472 447106112 /nfs/dbraw/zinc/10/61/12/447106112.db2.gz HDECVILDGSPMJR-BMFZPTHFSA-N 1 3 329.448 1.350 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000369046245 447285102 /nfs/dbraw/zinc/28/51/02/447285102.db2.gz FDKKZRIRRFMRQN-IXDOHACOSA-N 1 3 338.496 1.271 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCC(=O)NC2(C)C)(N2CCCCC2)CC1 ZINC000495086551 447476972 /nfs/dbraw/zinc/47/69/72/447476972.db2.gz QZDIHIKNEVHVRL-MRXNPFEDSA-N 1 3 336.524 1.584 20 0 EDADHO COC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000389885366 447488007 /nfs/dbraw/zinc/48/80/07/447488007.db2.gz RAPXKNDMJDPCBP-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000415515109 447490588 /nfs/dbraw/zinc/49/05/88/447490588.db2.gz CYRQJMVMLAVUQW-ZBFHGGJFSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390902445 447504419 /nfs/dbraw/zinc/50/44/19/447504419.db2.gz VNHJYWPVPLARNK-QAPCUYQASA-N 1 3 331.460 1.534 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419952868 447510222 /nfs/dbraw/zinc/51/02/22/447510222.db2.gz KFGGDSFXCWALLH-CQSZACIVSA-N 1 3 340.512 1.056 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CCCN1CCCO)C(C)C ZINC000457424228 447577938 /nfs/dbraw/zinc/57/79/38/447577938.db2.gz OQMWENTWBQNFNA-INIZCTEOSA-N 1 3 328.501 1.251 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427322561 447581133 /nfs/dbraw/zinc/58/11/33/447581133.db2.gz UHERYDJJOIESAR-HNNXBMFYSA-N 1 3 325.497 1.772 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459262356 447624944 /nfs/dbraw/zinc/62/49/44/447624944.db2.gz LRFIFUMTPDPWBI-IAGOWNOFSA-N 1 3 340.512 1.110 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459262356 447624954 /nfs/dbraw/zinc/62/49/54/447624954.db2.gz LRFIFUMTPDPWBI-IAGOWNOFSA-N 1 3 340.512 1.110 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416813390 447691323 /nfs/dbraw/zinc/69/13/23/447691323.db2.gz FDSITOTZZLIKHK-YJBOKZPZSA-N 1 3 348.491 1.987 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000422724624 447730165 /nfs/dbraw/zinc/73/01/65/447730165.db2.gz WGFAKCWAOAVJRF-MJGOQNOKSA-N 1 3 333.476 1.615 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417023944 447731105 /nfs/dbraw/zinc/73/11/05/447731105.db2.gz PSYVLJRVTKDJKQ-WMZOPIPTSA-N 1 3 347.507 1.354 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750691 447738614 /nfs/dbraw/zinc/73/86/14/447738614.db2.gz AIQVSKGRNNRICE-SMDDNHRTSA-N 1 3 331.869 1.335 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845386 447767288 /nfs/dbraw/zinc/76/72/88/447767288.db2.gz NWPAHJBDFLKYHE-IEBWSBKVSA-N 1 3 344.503 1.832 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845386 447767294 /nfs/dbraw/zinc/76/72/94/447767294.db2.gz NWPAHJBDFLKYHE-IEBWSBKVSA-N 1 3 344.503 1.832 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422947462 447777856 /nfs/dbraw/zinc/77/78/56/447777856.db2.gz QEBIPEPKNUCHAP-KZNAEPCWSA-N 1 3 331.460 1.935 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944244 447777878 /nfs/dbraw/zinc/77/78/78/447777878.db2.gz ZQIJBHZSCOWCIS-ZBFHGGJFSA-N 1 3 325.478 1.380 20 0 EDADHO O=C(c1ccccc1)N1C[C@@H](CN[C@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997970 447789473 /nfs/dbraw/zinc/78/94/73/447789473.db2.gz VUJMAFPESUACJE-GBESFXJTSA-N 1 3 342.487 1.317 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000471636695 447806643 /nfs/dbraw/zinc/80/66/43/447806643.db2.gz NVLCNYWDEIAXGT-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000496661377 447843108 /nfs/dbraw/zinc/84/31/08/447843108.db2.gz LVHPMAPGUZYHMM-GUYCJALGSA-N 1 3 327.469 1.502 20 0 EDADHO CC[N@H+](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894838 /nfs/dbraw/zinc/89/48/38/447894838.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894843 /nfs/dbraw/zinc/89/48/43/447894843.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 1 3 330.476 1.894 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524371911 447928495 /nfs/dbraw/zinc/92/84/95/447928495.db2.gz WLJIYRLJYIPUKH-MJGOQNOKSA-N 1 3 331.460 1.176 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000525311958 447994530 /nfs/dbraw/zinc/99/45/30/447994530.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 1 3 343.471 1.366 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000525311958 447994538 /nfs/dbraw/zinc/99/45/38/447994538.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 1 3 343.471 1.366 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)N(C)C ZINC000525452036 447999694 /nfs/dbraw/zinc/99/96/94/447999694.db2.gz JWXNOBQNTBFXFQ-OAHLLOKOSA-N 1 3 339.484 1.017 20 0 EDADHO Cc1nc(CCCC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000531418840 448081397 /nfs/dbraw/zinc/08/13/97/448081397.db2.gz SSQYVSLEDVDWSI-UHFFFAOYSA-N 1 3 326.510 1.726 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000576568055 448084995 /nfs/dbraw/zinc/08/49/95/448084995.db2.gz NNSQAMAEMBLORD-GOSISDBHSA-N 1 3 344.503 1.992 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000571183117 448119896 /nfs/dbraw/zinc/11/98/96/448119896.db2.gz NBYOTOVPEIMFLQ-FUHWJXTLSA-N 1 3 346.475 1.883 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](O)C3(C)C)CC2)CC1 ZINC000582430311 448237092 /nfs/dbraw/zinc/23/70/92/448237092.db2.gz UMDMBJZTIDVEAT-QGZVFWFLSA-N 1 3 337.508 1.555 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000515523239 448325913 /nfs/dbraw/zinc/32/59/13/448325913.db2.gz VAJLTWUZMFSNIV-IKGGRYGDSA-N 1 3 338.496 1.271 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)nn1C ZINC000515290833 448284906 /nfs/dbraw/zinc/28/49/06/448284906.db2.gz UAGGHDFRHFTLBQ-UHFFFAOYSA-N 1 3 343.475 1.653 20 0 EDADHO COc1cncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000577400466 448288597 /nfs/dbraw/zinc/28/85/97/448288597.db2.gz RLPAZKBADZTYRV-UHFFFAOYSA-N 1 3 348.451 1.165 20 0 EDADHO COCCN(C)CCNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000582968291 448391897 /nfs/dbraw/zinc/39/18/97/448391897.db2.gz NDDHWHVLARQURY-LJQANCHMSA-N 1 3 348.491 1.528 20 0 EDADHO COCCN(C)CCNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000582968291 448391903 /nfs/dbraw/zinc/39/19/03/448391903.db2.gz NDDHWHVLARQURY-LJQANCHMSA-N 1 3 348.491 1.528 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2nn(C)c3ccccc23)CC[NH2+]CC1 ZINC000591572789 448393134 /nfs/dbraw/zinc/39/31/34/448393134.db2.gz QQFVKVXFPPDWTA-AWEZNQCLSA-N 1 3 344.459 1.984 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000583021612 448404955 /nfs/dbraw/zinc/40/49/55/448404955.db2.gz HYJBAGUEYKIGFU-ROUUACIJSA-N 1 3 333.476 1.676 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000577744033 448376279 /nfs/dbraw/zinc/37/62/79/448376279.db2.gz CICUUQHVQDVAON-DLBZAZTESA-N 1 3 337.508 1.458 20 0 EDADHO C[C@@H](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[NH+]1CCCCC1 ZINC000572834741 448474794 /nfs/dbraw/zinc/47/47/94/448474794.db2.gz YHTVATCOZWSSMW-BHYGNILZSA-N 1 3 348.495 1.121 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000572941200 448499994 /nfs/dbraw/zinc/49/99/94/448499994.db2.gz UVWWHQWPEJZQKM-XJKSGUPXSA-N 1 3 330.432 1.342 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000572941197 448500265 /nfs/dbraw/zinc/50/02/65/448500265.db2.gz UVWWHQWPEJZQKM-BBRMVZONSA-N 1 3 330.432 1.342 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCO1 ZINC000566786552 448558305 /nfs/dbraw/zinc/55/83/05/448558305.db2.gz QHPJXMAOPWJUAJ-ZWKOTPCHSA-N 1 3 346.475 1.410 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146964 448543867 /nfs/dbraw/zinc/54/38/67/448543867.db2.gz RDJSNRGXZWQUHY-OLZOCXBDSA-N 1 3 333.461 1.281 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CN1Cc1ccccc1 ZINC000573820717 448723619 /nfs/dbraw/zinc/72/36/19/448723619.db2.gz HHICRIZLZUZFFW-ATLSCFEFSA-N 1 3 330.476 1.947 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H](C)C1 ZINC000519407783 448767997 /nfs/dbraw/zinc/76/79/97/448767997.db2.gz ZOOFNJGWOFCQBC-UHOSZYNNSA-N 1 3 347.503 1.810 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)[C@@H](C)C1 ZINC000519407783 448768000 /nfs/dbraw/zinc/76/80/00/448768000.db2.gz ZOOFNJGWOFCQBC-UHOSZYNNSA-N 1 3 347.503 1.810 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000519538439 448780279 /nfs/dbraw/zinc/78/02/79/448780279.db2.gz FDTCDGMBFVLXTA-BPQIPLTHSA-N 1 3 330.476 1.737 20 0 EDADHO CN1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322942 448822913 /nfs/dbraw/zinc/82/29/13/448822913.db2.gz RXTKTJYOBXCUBY-HOTGVXAUSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000568275238 448848455 /nfs/dbraw/zinc/84/84/55/448848455.db2.gz NTURYGASJYZXSY-QGZVFWFLSA-N 1 3 346.523 1.438 20 0 EDADHO CC(C)(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2ccccc2C1 ZINC000574426003 448872813 /nfs/dbraw/zinc/87/28/13/448872813.db2.gz JKYWBIZEHNXJJH-FVQHAEBGSA-N 1 3 328.460 1.340 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000568509395 448882884 /nfs/dbraw/zinc/88/28/84/448882884.db2.gz KDWTVYUNHWWGJI-KRWDZBQOSA-N 1 3 331.460 1.576 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000569102137 448961214 /nfs/dbraw/zinc/96/12/14/448961214.db2.gz CDZVVZLGHAKFMO-NALNUFGESA-N 1 3 331.460 1.855 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000548023093 448969220 /nfs/dbraw/zinc/96/92/20/448969220.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 1 3 336.505 1.684 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000548023093 448969225 /nfs/dbraw/zinc/96/92/25/448969225.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 1 3 336.505 1.684 20 0 EDADHO Cc1ccc(C(=O)NC2CCN(CCN3CC[NH2+]CC3)CC2)s1 ZINC000569223238 448982676 /nfs/dbraw/zinc/98/26/76/448982676.db2.gz WTPZTYWPWANJPL-UHFFFAOYSA-N 1 3 336.505 1.156 20 0 EDADHO CCNc1nc(NC2CC[NH+](C(C)C)CC2)nc(NC(C)(C)C)n1 ZINC000569392976 449019664 /nfs/dbraw/zinc/01/96/64/449019664.db2.gz JPAYSPJQNDSGDW-UHFFFAOYSA-N 1 3 335.500 1.642 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@@H](N4CCCCC4)C3)c21 ZINC000592960138 449082875 /nfs/dbraw/zinc/08/28/75/449082875.db2.gz YYWPTBFERDOSDX-HUUCEWRRSA-N 1 3 331.464 1.420 20 0 EDADHO COC(=O)CCN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000595890990 449235738 /nfs/dbraw/zinc/23/57/38/449235738.db2.gz GYLMKWOEJXYKJE-QGZVFWFLSA-N 1 3 332.444 1.876 20 0 EDADHO CCOC(=O)CN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000594254005 449412420 /nfs/dbraw/zinc/41/24/20/449412420.db2.gz HSZMHQJHLCEUCK-UHFFFAOYSA-N 1 3 339.480 1.204 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000606704103 449513063 /nfs/dbraw/zinc/51/30/63/449513063.db2.gz OYQYAGHWFCJASL-INIZCTEOSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1cnn2ccccc12 ZINC000617502291 449644824 /nfs/dbraw/zinc/64/48/24/449644824.db2.gz KKLGUNUTHYSGSU-HNNXBMFYSA-N 1 3 331.464 1.265 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1cnn2ccccc12 ZINC000617502291 449644829 /nfs/dbraw/zinc/64/48/29/449644829.db2.gz KKLGUNUTHYSGSU-HNNXBMFYSA-N 1 3 331.464 1.265 20 0 EDADHO COC(=O)c1csc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000602655977 449734570 /nfs/dbraw/zinc/73/45/70/449734570.db2.gz JPMRMXZYKDKUHV-UHFFFAOYSA-N 1 3 339.505 1.993 20 0 EDADHO C[NH+]1CCC(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000617701455 449746045 /nfs/dbraw/zinc/74/60/45/449746045.db2.gz XRCAEIXXFPJJJM-SFHVURJKSA-N 1 3 331.460 1.211 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(CCO)CC1 ZINC000601248860 449773222 /nfs/dbraw/zinc/77/32/22/449773222.db2.gz WBTREKWNHWAMBT-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(CCO)CC1 ZINC000601248860 449773227 /nfs/dbraw/zinc/77/32/27/449773227.db2.gz WBTREKWNHWAMBT-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692699 449910680 /nfs/dbraw/zinc/91/06/80/449910680.db2.gz MZURXUXAVJEQNU-WBVHZDCISA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)Cn1ccnc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000608700034 449913599 /nfs/dbraw/zinc/91/35/99/449913599.db2.gz KTHHCHHLUHEHKG-UHFFFAOYSA-N 1 3 338.500 1.174 20 0 EDADHO COC(=O)CCN1CC[C@H](N(C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122364 450082550 /nfs/dbraw/zinc/08/25/50/450082550.db2.gz VUHTUXOEPSDGRM-INIZCTEOSA-N 1 3 339.480 1.348 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC000599720449 450177380 /nfs/dbraw/zinc/17/73/80/450177380.db2.gz GYRQXBDFEAJBEG-BSDSXHPESA-N 1 3 347.528 1.836 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC000599720449 450177385 /nfs/dbraw/zinc/17/73/85/450177385.db2.gz GYRQXBDFEAJBEG-BSDSXHPESA-N 1 3 347.528 1.836 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000618551818 450240019 /nfs/dbraw/zinc/24/00/19/450240019.db2.gz GXUVYJIOLHSIRD-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO Cc1ccc(CCNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)o1 ZINC000622946661 450343060 /nfs/dbraw/zinc/34/30/60/450343060.db2.gz VIDSULVPTVWMJU-UHFFFAOYSA-N 1 3 348.491 1.988 20 0 EDADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000610881844 450366507 /nfs/dbraw/zinc/36/65/07/450366507.db2.gz QAHGKKKVKHYXJK-UHFFFAOYSA-N 1 3 339.411 1.178 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc3n[nH]cc32)CC1 ZINC000623411248 450517728 /nfs/dbraw/zinc/51/77/28/450517728.db2.gz YXZAGKGEQLYRAN-UHFFFAOYSA-N 1 3 329.448 1.595 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000625976037 450547039 /nfs/dbraw/zinc/54/70/39/450547039.db2.gz LTYFWNSQXRIYPR-VLKZTRAZSA-N 1 3 333.476 1.807 20 0 EDADHO CC[N@H+](CCCN1C(=O)CNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626062234 450565821 /nfs/dbraw/zinc/56/58/21/450565821.db2.gz LTGXOHQHUDZQIM-UHFFFAOYSA-N 1 3 332.448 1.512 20 0 EDADHO CC[N@@H+](CCCN1C(=O)CNC1=O)Cc1ccc(CN(C)C)cc1 ZINC000626062234 450565823 /nfs/dbraw/zinc/56/58/23/450565823.db2.gz LTGXOHQHUDZQIM-UHFFFAOYSA-N 1 3 332.448 1.512 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623864461 450619516 /nfs/dbraw/zinc/61/95/16/450619516.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 1 3 341.463 1.209 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623864461 450619520 /nfs/dbraw/zinc/61/95/20/450619520.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 1 3 341.463 1.209 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081832 450668850 /nfs/dbraw/zinc/66/88/50/450668850.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081832 450668856 /nfs/dbraw/zinc/66/88/56/450668856.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 1 3 330.476 1.963 20 0 EDADHO O=C(CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551761 450732534 /nfs/dbraw/zinc/73/25/34/450732534.db2.gz XFXKYESNCBOPRH-MELADBBJSA-N 1 3 331.416 1.374 20 0 EDADHO O[C@H](CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558649 450734824 /nfs/dbraw/zinc/73/48/24/450734824.db2.gz LIKBIMIPSMMFSG-GOEBONIOSA-N 1 3 339.430 1.837 20 0 EDADHO C[NH2+]CCOCCN(C)CCOc1ccc(Br)cc1 ZINC000629568950 450741511 /nfs/dbraw/zinc/74/15/11/450741511.db2.gz XTQQFESZUKQLCS-UHFFFAOYSA-N 1 3 331.254 1.996 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000631908710 450867303 /nfs/dbraw/zinc/86/73/03/450867303.db2.gz XTEUTKIQJGNDMH-HZPDHXFCSA-N 1 3 329.510 1.266 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cn(C)nc1-c1ccco1 ZINC000626817680 450928345 /nfs/dbraw/zinc/92/83/45/450928345.db2.gz JLYCMLDBJSAOSW-UHFFFAOYSA-N 1 3 348.451 1.637 20 0 EDADHO COc1nc(C)cc(C)c1CN(C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000622004655 450983357 /nfs/dbraw/zinc/98/33/57/450983357.db2.gz RZKMETYTOHCVHB-HNNXBMFYSA-N 1 3 334.464 1.336 20 0 EDADHO CCN(CC[NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000626931582 451014857 /nfs/dbraw/zinc/01/48/57/451014857.db2.gz AEUCCSPMNWHLQR-UHFFFAOYSA-N 1 3 347.507 1.314 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626954925 451032533 /nfs/dbraw/zinc/03/25/33/451032533.db2.gz NOTHUELBFPXAQX-GOSISDBHSA-N 1 3 348.491 1.515 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570933 451069816 /nfs/dbraw/zinc/06/98/16/451069816.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570933 451069817 /nfs/dbraw/zinc/06/98/17/451069817.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570931 451070209 /nfs/dbraw/zinc/07/02/09/451070209.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570931 451070216 /nfs/dbraw/zinc/07/02/16/451070216.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C[NH2+]1 ZINC000627011973 451077550 /nfs/dbraw/zinc/07/75/50/451077550.db2.gz NVBOMNGUORKQMP-OLMNPRSZSA-N 1 3 346.475 1.193 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551748 451049084 /nfs/dbraw/zinc/04/90/84/451049084.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 1 3 348.535 1.630 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551748 451049088 /nfs/dbraw/zinc/04/90/88/451049088.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 1 3 348.535 1.630 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114126 451130250 /nfs/dbraw/zinc/13/02/50/451130250.db2.gz YQEPYZAHIMVGLI-BRWVUGGUSA-N 1 3 334.439 1.665 20 0 EDADHO CN(CCCN(C)C(=O)NCC1([NH3+])CCOCC1)Cc1ccco1 ZINC000627148910 451147340 /nfs/dbraw/zinc/14/73/40/451147340.db2.gz OQQPGEFLIWLHTF-UHFFFAOYSA-N 1 3 338.452 1.251 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C[NH2+]1 ZINC000627198606 451183014 /nfs/dbraw/zinc/18/30/14/451183014.db2.gz MSKMNVSMQTVYRJ-SUMDDJOVSA-N 1 3 346.475 1.063 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000635784113 451237587 /nfs/dbraw/zinc/23/75/87/451237587.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000635784113 451237589 /nfs/dbraw/zinc/23/75/89/451237589.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 1 3 345.487 1.601 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000640530701 451382667 /nfs/dbraw/zinc/38/26/67/451382667.db2.gz BLRZLQNJFBJRCB-GOSISDBHSA-N 1 3 338.540 1.737 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000638302640 451417726 /nfs/dbraw/zinc/41/77/26/451417726.db2.gz KAIPGNHPILXVRF-MSOLQXFVSA-N 1 3 329.444 1.441 20 0 EDADHO Cc1cnc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000634715341 451495432 /nfs/dbraw/zinc/49/54/32/451495432.db2.gz BERGFUWQZAMOGT-IBGZPJMESA-N 1 3 326.444 1.554 20 0 EDADHO Cc1cnc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000634715341 451495439 /nfs/dbraw/zinc/49/54/39/451495439.db2.gz BERGFUWQZAMOGT-IBGZPJMESA-N 1 3 326.444 1.554 20 0 EDADHO [NH3+]C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000638542093 451568859 /nfs/dbraw/zinc/56/88/59/451568859.db2.gz YWULOIGLMYLOOY-UHFFFAOYSA-N 1 3 331.460 1.523 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cc([C@@H]3CC[NH2+]C3)[nH]n1)CCC2 ZINC000638543517 451569714 /nfs/dbraw/zinc/56/97/14/451569714.db2.gz LJQPAHUVZFBBKI-CQSZACIVSA-N 1 3 325.416 1.538 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000632935162 451658656 /nfs/dbraw/zinc/65/86/56/451658656.db2.gz ZDHJLJWKDTZAFC-LSDHHAIUSA-N 1 3 331.464 1.782 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CSCCN1 ZINC000638836134 451706682 /nfs/dbraw/zinc/70/66/82/451706682.db2.gz QFMFRDSWLRZVCE-NJAFHUGGSA-N 1 3 347.528 1.966 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CSCCN1 ZINC000638836134 451706686 /nfs/dbraw/zinc/70/66/86/451706686.db2.gz QFMFRDSWLRZVCE-NJAFHUGGSA-N 1 3 347.528 1.966 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn2)CC1 ZINC000632955448 451667286 /nfs/dbraw/zinc/66/72/86/451667286.db2.gz PHOJZEZFYNEWQX-NSHDSACASA-N 1 3 334.346 1.161 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)NC[C@@H](N)c3ccccc3)cn2)CC1 ZINC000632962120 451671463 /nfs/dbraw/zinc/67/14/63/451671463.db2.gz XQTODMZFOVWBBM-QGZVFWFLSA-N 1 3 342.447 1.971 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)COC3CC[NH2+]CC3)C2)cc1 ZINC000639001146 451750180 /nfs/dbraw/zinc/75/01/80/451750180.db2.gz HEYDSIJMBKVXKL-KRWDZBQOSA-N 1 3 331.460 1.454 20 0 EDADHO CO[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)C1CCOCC1 ZINC000639206255 451791690 /nfs/dbraw/zinc/79/16/90/451791690.db2.gz POLJFLUOQRDEEA-QGZVFWFLSA-N 1 3 341.496 1.010 20 0 EDADHO CC(=O)NC[C@@H]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639460533 451879692 /nfs/dbraw/zinc/87/96/92/451879692.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 1 3 345.487 1.472 20 0 EDADHO CC(=O)NC[C@@H]1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639460533 451879697 /nfs/dbraw/zinc/87/96/97/451879697.db2.gz JIMUADCOJFYAKZ-PMACEKPBSA-N 1 3 345.487 1.472 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000646845243 451883479 /nfs/dbraw/zinc/88/34/79/451883479.db2.gz HLXLSAVBMFOTMB-CRAIPNDOSA-N 1 3 346.475 1.017 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639473491 451885237 /nfs/dbraw/zinc/88/52/37/451885237.db2.gz KAOMBKGWIXUPNH-QGZVFWFLSA-N 1 3 328.497 1.331 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639473491 451885241 /nfs/dbraw/zinc/88/52/41/451885241.db2.gz KAOMBKGWIXUPNH-QGZVFWFLSA-N 1 3 328.497 1.331 20 0 EDADHO Cn1c2cc(C[NH2+]C3CCN(CC(C)(C)O)CC3)ccc2oc1=O ZINC000639353618 451842025 /nfs/dbraw/zinc/84/20/25/451842025.db2.gz VKRPVSWMWKGXJV-UHFFFAOYSA-N 1 3 333.432 1.456 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653389689 451900341 /nfs/dbraw/zinc/90/03/41/451900341.db2.gz IKCBVWOWYFUTMA-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653389689 451900347 /nfs/dbraw/zinc/90/03/47/451900347.db2.gz IKCBVWOWYFUTMA-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649313780 451990764 /nfs/dbraw/zinc/99/07/64/451990764.db2.gz UAAVBSPXICVTIJ-SOUVJXGZSA-N 1 3 330.432 1.060 20 0 EDADHO COCCC1(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000649318721 451998058 /nfs/dbraw/zinc/99/80/58/451998058.db2.gz FOUKKSZZDGAFCI-HOTGVXAUSA-N 1 3 325.497 1.772 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637660796 452002952 /nfs/dbraw/zinc/00/29/52/452002952.db2.gz GOFRUFMBHMMDFV-INIZCTEOSA-N 1 3 334.468 1.708 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COC1(C)CNC1 ZINC000649336731 452017468 /nfs/dbraw/zinc/01/74/68/452017468.db2.gz QUMVDBQOCJNWBS-HZPDHXFCSA-N 1 3 345.487 1.638 20 0 EDADHO O=C(CN1CCCN(CCCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000649411574 452074390 /nfs/dbraw/zinc/07/43/90/452074390.db2.gz HWCRUVLPAGKDRK-UHFFFAOYSA-N 1 3 336.524 1.396 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CCN(C2CC2)CC1 ZINC000649414917 452078929 /nfs/dbraw/zinc/07/89/29/452078929.db2.gz AAHXEZIZBOSYRF-YJBOKZPZSA-N 1 3 334.508 1.193 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000637839024 452109873 /nfs/dbraw/zinc/10/98/73/452109873.db2.gz FPAAGDGEXBJMSV-KRWDZBQOSA-N 1 3 325.412 1.849 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856225 452116567 /nfs/dbraw/zinc/11/65/67/452116567.db2.gz JLRJRMHWAMMHQC-IBGZPJMESA-N 1 3 344.503 1.436 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637860663 452118786 /nfs/dbraw/zinc/11/87/86/452118786.db2.gz CAUWJVAXBINFOG-GOSISDBHSA-N 1 3 332.492 1.294 20 0 EDADHO CCCN1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637957094 452203433 /nfs/dbraw/zinc/20/34/33/452203433.db2.gz ZHEGAGQOELJLQV-UHFFFAOYSA-N 1 3 325.478 1.640 20 0 EDADHO CCCN1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637957094 452203441 /nfs/dbraw/zinc/20/34/41/452203441.db2.gz ZHEGAGQOELJLQV-UHFFFAOYSA-N 1 3 325.478 1.640 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000647493032 452237025 /nfs/dbraw/zinc/23/70/25/452237025.db2.gz QECMBKGPSPTNPV-UHFFFAOYSA-N 1 3 335.402 1.692 20 0 EDADHO COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn1 ZINC000663557306 452266308 /nfs/dbraw/zinc/26/63/08/452266308.db2.gz UKEKUMLAXRKUAD-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO COc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn1 ZINC000663557306 452266315 /nfs/dbraw/zinc/26/63/15/452266315.db2.gz UKEKUMLAXRKUAD-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO CCN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659428082 452272078 /nfs/dbraw/zinc/27/20/78/452272078.db2.gz WWIANGCRDMCAAF-QZTJIDSGSA-N 1 3 330.476 1.916 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC2([NH3+])CCCC2)c1 ZINC000659432867 452278542 /nfs/dbraw/zinc/27/85/42/452278542.db2.gz RHNHBOWWCKFAEL-UHFFFAOYSA-N 1 3 334.464 1.698 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000659444409 452294065 /nfs/dbraw/zinc/29/40/65/452294065.db2.gz HJDCTQOKEHFFBT-OAHLLOKOSA-N 1 3 348.491 1.814 20 0 EDADHO CCC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762960 452342886 /nfs/dbraw/zinc/34/28/86/452342886.db2.gz VOJHQHMRMQZRSR-WMZOPIPTSA-N 1 3 342.528 1.453 20 0 EDADHO CCC[C@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762960 452342892 /nfs/dbraw/zinc/34/28/92/452342892.db2.gz VOJHQHMRMQZRSR-WMZOPIPTSA-N 1 3 342.528 1.453 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H](CC)O1 ZINC000665764069 452347845 /nfs/dbraw/zinc/34/78/45/452347845.db2.gz TVMMOHQUWOJBTN-YESZJQIVSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@@H](C)N[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659492705 452354545 /nfs/dbraw/zinc/35/45/45/452354545.db2.gz QKCZYELPFDKVHY-AAVRWANBSA-N 1 3 326.416 1.790 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000638068177 452368845 /nfs/dbraw/zinc/36/88/45/452368845.db2.gz HJXUPXJVQOPOQL-DOTOQJQBSA-N 1 3 337.489 1.119 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638071102 452377016 /nfs/dbraw/zinc/37/70/16/452377016.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 1 3 330.476 1.046 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000638071102 452377023 /nfs/dbraw/zinc/37/70/23/452377023.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 1 3 330.476 1.046 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000652191369 452390843 /nfs/dbraw/zinc/39/08/43/452390843.db2.gz SHDJQNGEHYTGMJ-HPBDAGMYSA-N 1 3 348.491 1.683 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)CCO1 ZINC000659533953 452394448 /nfs/dbraw/zinc/39/44/48/452394448.db2.gz ZQEOLRYCBJOMGP-SFHVURJKSA-N 1 3 346.475 1.542 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545325 452403100 /nfs/dbraw/zinc/40/31/00/452403100.db2.gz ZSKNWVIVWVHUHV-FHLIZLRMSA-N 1 3 346.475 1.193 20 0 EDADHO CCCN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575989 452430200 /nfs/dbraw/zinc/43/02/00/452430200.db2.gz XLMBXJJDEBMGDQ-RCCFBDPRSA-N 1 3 330.476 1.916 20 0 EDADHO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000645507427 452474390 /nfs/dbraw/zinc/47/43/90/452474390.db2.gz MTFONFCXJMJDMR-GOSISDBHSA-N 1 3 332.492 1.424 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652320452 452493536 /nfs/dbraw/zinc/49/35/36/452493536.db2.gz AQQWTBNDISMJFU-UHFFFAOYSA-N 1 3 347.463 1.312 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652320698 452494509 /nfs/dbraw/zinc/49/45/09/452494509.db2.gz JGXRKBACGVEMRY-GOSISDBHSA-N 1 3 348.491 1.987 20 0 EDADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000652335328 452503849 /nfs/dbraw/zinc/50/38/49/452503849.db2.gz ARFCZVCSQHZGDY-CYBMUJFWSA-N 1 3 337.489 1.687 20 0 EDADHO COC[C@H](CC1CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657891921 452595783 /nfs/dbraw/zinc/59/57/83/452595783.db2.gz QCPVVIMTCOVOKZ-MJGOQNOKSA-N 1 3 340.508 1.909 20 0 EDADHO NC[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(F)(F)F ZINC000655911338 452668193 /nfs/dbraw/zinc/66/81/93/452668193.db2.gz DEEWAKGAEJPEIX-CQSZACIVSA-N 1 3 344.381 1.971 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655914817 452675428 /nfs/dbraw/zinc/67/54/28/452675428.db2.gz OZDYFXKBAFVHAL-ZDUSSCGKSA-N 1 3 348.369 1.316 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000650432069 452762187 /nfs/dbraw/zinc/76/21/87/452762187.db2.gz MCAHDCMYKODKKQ-UHFFFAOYSA-N 1 3 339.459 1.849 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726529 452842220 /nfs/dbraw/zinc/84/22/20/452842220.db2.gz ULTXGCQYAOGOKL-MSOLQXFVSA-N 1 3 343.475 1.930 20 0 EDADHO NC1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000648178164 452892068 /nfs/dbraw/zinc/89/20/68/452892068.db2.gz WYKGCTCEZLMHIM-FUHWJXTLSA-N 1 3 339.414 1.575 20 0 EDADHO C[C@H](CCNc1cc(=NCC[C@H](C)[NH+](C)C)nc2nc[n-]n21)[NH+](C)C ZINC000664245578 452924001 /nfs/dbraw/zinc/92/40/01/452924001.db2.gz QAXBUVOAXZSDOO-UONOGXRCSA-N 1 3 348.499 1.050 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)c1 ZINC000666624571 453017672 /nfs/dbraw/zinc/01/76/72/453017672.db2.gz WRDQCAAYNFHKGC-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000662316610 453033192 /nfs/dbraw/zinc/03/31/92/453033192.db2.gz KKHHIORSFPQBGU-BZSNNMDCSA-N 1 3 333.476 1.154 20 0 EDADHO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000662316610 453033201 /nfs/dbraw/zinc/03/32/01/453033201.db2.gz KKHHIORSFPQBGU-BZSNNMDCSA-N 1 3 333.476 1.154 20 0 EDADHO CC(C)NC(=O)[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662316610 453033212 /nfs/dbraw/zinc/03/32/12/453033212.db2.gz KKHHIORSFPQBGU-BZSNNMDCSA-N 1 3 333.476 1.154 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000664369092 453039369 /nfs/dbraw/zinc/03/93/69/453039369.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 1 3 339.528 1.183 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CCNC3)C1 ZINC000666872582 453203267 /nfs/dbraw/zinc/20/32/67/453203267.db2.gz ZEXKFZWYFODMNY-GJZGRUSLSA-N 1 3 344.459 1.260 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CO)C(C)C)CC2)CC1 ZINC000655091082 453212769 /nfs/dbraw/zinc/21/27/69/453212769.db2.gz NGDJNSFNXGUSPE-IBGZPJMESA-N 1 3 339.524 1.706 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648780406 453263521 /nfs/dbraw/zinc/26/35/21/453263521.db2.gz HTDWTIHWNWTRDG-JKSUJKDBSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648780406 453263527 /nfs/dbraw/zinc/26/35/27/453263527.db2.gz HTDWTIHWNWTRDG-JKSUJKDBSA-N 1 3 347.507 1.681 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648780406 453263530 /nfs/dbraw/zinc/26/35/30/453263530.db2.gz HTDWTIHWNWTRDG-JKSUJKDBSA-N 1 3 347.507 1.681 20 0 EDADHO CN1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121993 453313848 /nfs/dbraw/zinc/31/38/48/453313848.db2.gz IEOYFMFVLVDGRJ-DNUAJFIVSA-N 1 3 349.500 1.483 20 0 EDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653149104 453336490 /nfs/dbraw/zinc/33/64/90/453336490.db2.gz XDVVQEBTMBVKEI-INIZCTEOSA-N 1 3 340.899 1.509 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)N(CC)CC ZINC000653184071 453375058 /nfs/dbraw/zinc/37/50/58/453375058.db2.gz MMFPEGDFQZFBSH-NXOAAHMSSA-N 1 3 325.497 1.852 20 0 EDADHO NC1(C(=O)N2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)Cc2ccccc2C1 ZINC000653190474 453380335 /nfs/dbraw/zinc/38/03/35/453380335.db2.gz KMLCNBDLOGMPLC-KZNAEPCWSA-N 1 3 343.471 1.228 20 0 EDADHO CC[C@H](NC)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000662675842 453393971 /nfs/dbraw/zinc/39/39/71/453393971.db2.gz TZQQCHXGUZWQBC-INIZCTEOSA-N 1 3 334.464 1.695 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662695344 453416973 /nfs/dbraw/zinc/41/69/73/453416973.db2.gz ZEWNZIOUOGHHNU-NVXWUHKLSA-N 1 3 333.480 1.658 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000662701220 453421973 /nfs/dbraw/zinc/42/19/73/453421973.db2.gz OOQNWIZEHITZMP-OKZBNKHCSA-N 1 3 331.460 1.612 20 0 EDADHO CCO[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1C[NH3+] ZINC000653247737 453431620 /nfs/dbraw/zinc/43/16/20/453431620.db2.gz OSFDCWXHVBMYKV-CXAGYDPISA-N 1 3 345.443 1.930 20 0 EDADHO N[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261498 453444672 /nfs/dbraw/zinc/44/46/72/453444672.db2.gz SGOBYGDWLCCCKB-TVFCKZIOSA-N 1 3 331.460 1.964 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)ccn1 ZINC000655352668 453471830 /nfs/dbraw/zinc/47/18/30/453471830.db2.gz OAAYTBPPTPLXLK-IRXDYDNUSA-N 1 3 346.475 1.769 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494428 /nfs/dbraw/zinc/49/44/28/453494428.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 1 3 348.443 1.573 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657894 453494433 /nfs/dbraw/zinc/49/44/33/453494433.db2.gz BUJBXZZXFIVVBF-DNVCBOLYSA-N 1 3 348.443 1.573 20 0 EDADHO CC1(C)CC[NH2+][C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662859039 453574365 /nfs/dbraw/zinc/57/43/65/453574365.db2.gz NCIMFTDOZUEGGR-KRWDZBQOSA-N 1 3 330.476 1.798 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659044995 453597614 /nfs/dbraw/zinc/59/76/14/453597614.db2.gz UBPLKZUJIHBFSE-IRXDYDNUSA-N 1 3 332.448 1.905 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659044995 453597617 /nfs/dbraw/zinc/59/76/17/453597617.db2.gz UBPLKZUJIHBFSE-IRXDYDNUSA-N 1 3 332.448 1.905 20 0 EDADHO C[N@H+](CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000660841315 453600441 /nfs/dbraw/zinc/60/04/41/453600441.db2.gz OMKBAVOEFLRZPO-UHFFFAOYSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@@H+](CCNC(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000660841315 453600444 /nfs/dbraw/zinc/60/04/44/453600444.db2.gz OMKBAVOEFLRZPO-UHFFFAOYSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240316 453619947 /nfs/dbraw/zinc/61/99/47/453619947.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 1 3 326.444 1.912 20 0 EDADHO C[C@@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240316 453619949 /nfs/dbraw/zinc/61/99/49/453619949.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 1 3 326.444 1.912 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000659103520 453636434 /nfs/dbraw/zinc/63/64/34/453636434.db2.gz RWYGMJBXFNNFBP-ZDUSSCGKSA-N 1 3 348.422 1.010 20 0 EDADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000659293751 453705909 /nfs/dbraw/zinc/70/59/09/453705909.db2.gz HBJPABJAAGFZBL-LJQANCHMSA-N 1 3 343.471 1.792 20 0 EDADHO COC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661158927 453740591 /nfs/dbraw/zinc/74/05/91/453740591.db2.gz QHJTTXJEYWHNLI-KRWDZBQOSA-N 1 3 341.496 1.007 20 0 EDADHO COc1cc2nccc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1OC ZINC000663238416 453742387 /nfs/dbraw/zinc/74/23/87/453742387.db2.gz ATQVWUKFRCMWKH-CQSZACIVSA-N 1 3 342.443 1.736 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000417990267 486820514 /nfs/dbraw/zinc/82/05/14/486820514.db2.gz KHADACQQKOLCBG-KURKYZTESA-N 1 3 346.475 1.322 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000684116508 486950007 /nfs/dbraw/zinc/95/00/07/486950007.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000684116508 486950010 /nfs/dbraw/zinc/95/00/10/486950010.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320739238 486957405 /nfs/dbraw/zinc/95/74/05/486957405.db2.gz LSDSADPFLGBZPV-OAHLLOKOSA-N 1 3 329.366 1.906 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667791286 486965307 /nfs/dbraw/zinc/96/53/07/486965307.db2.gz JPFKQFHAJMABLN-UHFFFAOYSA-N 1 3 331.464 1.969 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000667811227 486977220 /nfs/dbraw/zinc/97/72/20/486977220.db2.gz GXEQUPCLWBRISN-BBWFWOEESA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000667811227 486977226 /nfs/dbraw/zinc/97/72/26/486977226.db2.gz GXEQUPCLWBRISN-BBWFWOEESA-N 1 3 325.497 1.676 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673530345 487048829 /nfs/dbraw/zinc/04/88/29/487048829.db2.gz HQQOZWCUTQXMKM-LJQANCHMSA-N 1 3 345.487 1.472 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C2CCC2)nn1 ZINC000668159817 487124676 /nfs/dbraw/zinc/12/46/76/487124676.db2.gz IEMBKHJHXMXGFT-GOSISDBHSA-N 1 3 334.512 1.851 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C2CCC2)nn1 ZINC000668159817 487124681 /nfs/dbraw/zinc/12/46/81/487124681.db2.gz IEMBKHJHXMXGFT-GOSISDBHSA-N 1 3 334.512 1.851 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000678764232 487361653 /nfs/dbraw/zinc/36/16/53/487361653.db2.gz OCERRHBAFDAWEE-HNNXBMFYSA-N 1 3 334.468 1.394 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000675192710 487387389 /nfs/dbraw/zinc/38/73/89/487387389.db2.gz LZBQIQNHSFUHKP-ZBFHGGJFSA-N 1 3 328.526 1.597 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@H]2CCCS2(=O)=O)cc1 ZINC000675763188 487442356 /nfs/dbraw/zinc/44/23/56/487442356.db2.gz IJXJOILRRUCRJV-MRXNPFEDSA-N 1 3 326.462 1.294 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669236536 485846490 /nfs/dbraw/zinc/84/64/90/485846490.db2.gz ZAQICKMSZXCUNF-WAYWQWQTSA-N 1 3 345.491 1.138 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCO1 ZINC000669483796 486250143 /nfs/dbraw/zinc/25/01/43/486250143.db2.gz NBZRYBCTKRBZPA-MSOLQXFVSA-N 1 3 346.475 1.583 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000669508992 486291862 /nfs/dbraw/zinc/29/18/62/486291862.db2.gz ZEQHMSFKCRETTI-HZPDHXFCSA-N 1 3 331.391 1.693 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000080106524 491171517 /nfs/dbraw/zinc/17/15/17/491171517.db2.gz OGYPBDLPLDLHTD-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)c2n[nH]c3c2CNCC3)CC1 ZINC000188700532 521584429 /nfs/dbraw/zinc/58/44/29/521584429.db2.gz ZHLOBKGBKDQZRB-UHFFFAOYSA-N 1 3 343.435 1.161 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000333393106 535331086 /nfs/dbraw/zinc/33/10/86/535331086.db2.gz PBWZCQDDOWHBGS-JKSUJKDBSA-N 1 3 338.496 1.127 20 0 EDADHO CC[NH2+]CC1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261737854 535458282 /nfs/dbraw/zinc/45/82/82/535458282.db2.gz NTCYJGCZSAOCKE-UHFFFAOYSA-N 1 3 341.477 1.034 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262674252 535889389 /nfs/dbraw/zinc/88/93/89/535889389.db2.gz QRMTVZDAQROCQU-IRXDYDNUSA-N 1 3 346.475 1.112 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000262081256 536017502 /nfs/dbraw/zinc/01/75/02/536017502.db2.gz QNNCYYKPVKDAPR-UHFFFAOYSA-N 1 3 347.484 1.898 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4[nH]ccc4c3)CC2)CC1 ZINC000333334954 536339495 /nfs/dbraw/zinc/33/94/95/536339495.db2.gz RPXXDLRZAWDXJB-UHFFFAOYSA-N 1 3 341.459 1.803 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262823497 536560183 /nfs/dbraw/zinc/56/01/83/536560183.db2.gz XMSLQUZRNRWSFQ-UXLLHSPISA-N 1 3 341.496 1.088 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000247482530 536860053 /nfs/dbraw/zinc/86/00/53/536860053.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000247482530 536860063 /nfs/dbraw/zinc/86/00/63/536860063.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO CN1CCC(NC(=S)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000741482097 579419329 /nfs/dbraw/zinc/41/93/29/579419329.db2.gz FLJRYPPTAREACE-UHFFFAOYSA-N 1 3 346.544 1.644 20 0 EDADHO O=C(CCCC[NH+]1CCCC1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000729347159 578564600 /nfs/dbraw/zinc/56/46/00/578564600.db2.gz NKCSUWAPFIIWCH-GOSISDBHSA-N 1 3 337.508 1.966 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000729606399 578584346 /nfs/dbraw/zinc/58/43/46/578584346.db2.gz LAZCXMBPOMQLRW-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCCC1 ZINC000729606399 578584348 /nfs/dbraw/zinc/58/43/48/578584348.db2.gz LAZCXMBPOMQLRW-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736769908 579018929 /nfs/dbraw/zinc/01/89/29/579018929.db2.gz WRABVAMTFOIXSF-UHFFFAOYSA-N 1 3 343.479 1.230 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000745823540 579564476 /nfs/dbraw/zinc/56/44/76/579564476.db2.gz CMAUGZRYWIHBGK-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000745823540 579564477 /nfs/dbraw/zinc/56/44/77/579564477.db2.gz CMAUGZRYWIHBGK-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133933 580093705 /nfs/dbraw/zinc/09/37/05/580093705.db2.gz KZRJNVDABFBBKT-HTWSVDAQSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000763987912 580109951 /nfs/dbraw/zinc/10/99/51/580109951.db2.gz NEIWOLZEXBATPJ-SFHVURJKSA-N 1 3 336.524 1.539 20 0 EDADHO CN1CCC(NC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776605021 580423921 /nfs/dbraw/zinc/42/39/21/580423921.db2.gz XBHHIPKSEGUYIF-RMKNXTFCSA-N 1 3 331.460 1.851 20 0 EDADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCCN(C)CC3)cc2)CC1 ZINC000779591666 580490787 /nfs/dbraw/zinc/49/07/87/580490787.db2.gz QHPQXRDYKXUZGJ-UHFFFAOYSA-N 1 3 345.491 1.998 20 0 EDADHO CN1CCC(NC(=S)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000782443772 580575158 /nfs/dbraw/zinc/57/51/58/580575158.db2.gz CBLYDIGXHSODNQ-UHFFFAOYSA-N 1 3 336.509 1.530 20 0 EDADHO Cn1nc(Br)cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000785456515 580645047 /nfs/dbraw/zinc/64/50/47/580645047.db2.gz WAQFYBOCUOKCCM-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO Cn1nc(Br)cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000785456515 580645048 /nfs/dbraw/zinc/64/50/48/580645048.db2.gz WAQFYBOCUOKCCM-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000790603003 580773605 /nfs/dbraw/zinc/77/36/05/580773605.db2.gz GWQBIVQJVQRCNG-OAHLLOKOSA-N 1 3 326.554 1.913 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322278 581025473 /nfs/dbraw/zinc/02/54/73/581025473.db2.gz LSJAZOLMGBSWLL-ZVZYQTTQSA-N 1 3 339.455 1.981 20 0 EDADHO C[NH+](C)CCOC1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892005567 590739480 /nfs/dbraw/zinc/73/94/80/590739480.db2.gz WQCRQJOBPIGAPB-CVEARBPZSA-N 1 3 330.444 1.663 20 0 EDADHO N[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000892030482 590761410 /nfs/dbraw/zinc/76/14/10/590761410.db2.gz KLXVBVIWMGXFRX-HZPDHXFCSA-N 1 3 332.448 1.144 20 0 EDADHO O=C(NCC1C[NH2+]C1)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000892047312 590770583 /nfs/dbraw/zinc/77/05/83/590770583.db2.gz NTTMNDJUCVYBSH-GOSISDBHSA-N 1 3 330.476 1.950 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@H]1OC ZINC000893486585 590904337 /nfs/dbraw/zinc/90/43/37/590904337.db2.gz GANPFIPNQBAWPP-MTQWCTHYSA-N 1 3 348.487 1.925 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@H]1OC ZINC000893486585 590904339 /nfs/dbraw/zinc/90/43/39/590904339.db2.gz GANPFIPNQBAWPP-MTQWCTHYSA-N 1 3 348.487 1.925 20 0 EDADHO COC1CCN(CCNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892343878 590971994 /nfs/dbraw/zinc/97/19/94/590971994.db2.gz UWVVNUZVDFHYGT-UHFFFAOYSA-N 1 3 346.475 1.242 20 0 EDADHO CC[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000891349119 591054433 /nfs/dbraw/zinc/05/44/33/591054433.db2.gz VNWDGUMFRXNFPD-OTWHNJEPSA-N 1 3 342.487 1.969 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000892529971 591060929 /nfs/dbraw/zinc/06/09/29/591060929.db2.gz GSXMXFUMJLPPDU-QYZOEREBSA-N 1 3 342.487 1.963 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891537411 591112429 /nfs/dbraw/zinc/11/24/29/591112429.db2.gz BXPXQECUZKNSSE-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891537411 591112433 /nfs/dbraw/zinc/11/24/33/591112433.db2.gz BXPXQECUZKNSSE-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891543048 591115990 /nfs/dbraw/zinc/11/59/90/591115990.db2.gz MODSMWWFFWPZSZ-BZSNNMDCSA-N 1 3 328.460 1.606 20 0 EDADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891543048 591115994 /nfs/dbraw/zinc/11/59/94/591115994.db2.gz MODSMWWFFWPZSZ-BZSNNMDCSA-N 1 3 328.460 1.606 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000892687948 591131489 /nfs/dbraw/zinc/13/14/89/591131489.db2.gz ZEIXXPFAMHWYGS-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CCc1[nH]c(CNCC2(O)CC[NH+](C(C)C)CC2)cc1C(=O)OC ZINC000894330713 591280783 /nfs/dbraw/zinc/28/07/83/591280783.db2.gz QMNZRZPZELEIKB-UHFFFAOYSA-N 1 3 337.464 1.689 20 0 EDADHO CN1CCCN(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894377626 591295243 /nfs/dbraw/zinc/29/52/43/591295243.db2.gz CWHJLCJSOJNUBX-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CN1CCN(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000894661528 591383931 /nfs/dbraw/zinc/38/39/31/591383931.db2.gz YYXOLLDMWPSQIX-UHFFFAOYSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000897479471 591484284 /nfs/dbraw/zinc/48/42/84/591484284.db2.gz CTKWHDPYODHXTF-INIZCTEOSA-N 1 3 333.480 1.639 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000897479471 591484288 /nfs/dbraw/zinc/48/42/88/591484288.db2.gz CTKWHDPYODHXTF-INIZCTEOSA-N 1 3 333.480 1.639 20 0 EDADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896747657 591601763 /nfs/dbraw/zinc/60/17/63/591601763.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896747657 591601766 /nfs/dbraw/zinc/60/17/66/591601766.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749844 591602208 /nfs/dbraw/zinc/60/22/08/591602208.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000896749844 591602212 /nfs/dbraw/zinc/60/22/12/591602212.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc3c(=O)cc[nH]c3c2)CC1 ZINC000895204989 591656452 /nfs/dbraw/zinc/65/64/52/591656452.db2.gz NLIXJGSPBCIFKD-UHFFFAOYSA-N 1 3 329.444 1.853 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368773 591894223 /nfs/dbraw/zinc/89/42/23/591894223.db2.gz PZBVGBOYVFIGLZ-IJLUTSLNSA-N 1 3 325.844 1.487 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368773 591894227 /nfs/dbraw/zinc/89/42/27/591894227.db2.gz PZBVGBOYVFIGLZ-IJLUTSLNSA-N 1 3 325.844 1.487 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900339890 591989123 /nfs/dbraw/zinc/98/91/23/591989123.db2.gz SPPXEIZTLIMDPQ-MAUKXSAKSA-N 1 3 343.475 1.789 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900339890 591989126 /nfs/dbraw/zinc/98/91/26/591989126.db2.gz SPPXEIZTLIMDPQ-MAUKXSAKSA-N 1 3 343.475 1.789 20 0 EDADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900411240 592011427 /nfs/dbraw/zinc/01/14/27/592011427.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 1 3 325.497 1.556 20 0 EDADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@]1(O)CCCN(C)C1 ZINC000900411240 592011430 /nfs/dbraw/zinc/01/14/30/592011430.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 1 3 325.497 1.556 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccccn1 ZINC000900482063 592030828 /nfs/dbraw/zinc/03/08/28/592030828.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 1 3 333.480 1.368 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNc1ccccn1 ZINC000900482063 592030829 /nfs/dbraw/zinc/03/08/29/592030829.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 1 3 333.480 1.368 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900473284 592035133 /nfs/dbraw/zinc/03/51/33/592035133.db2.gz DVQUSLLIMBARKV-IBGZPJMESA-N 1 3 333.476 1.553 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810956 592068712 /nfs/dbraw/zinc/06/87/12/592068712.db2.gz FTLPIKGEIGEEED-ZQDZILKHSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810956 592068714 /nfs/dbraw/zinc/06/87/14/592068714.db2.gz FTLPIKGEIGEEED-ZQDZILKHSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810956 592068716 /nfs/dbraw/zinc/06/87/16/592068716.db2.gz FTLPIKGEIGEEED-ZQDZILKHSA-N 1 3 338.452 1.043 20 0 EDADHO CN1CCC[C@](O)(CC(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000900662094 592084695 /nfs/dbraw/zinc/08/46/95/592084695.db2.gz JXIMPNVHUNKYPL-IBGZPJMESA-N 1 3 349.475 1.802 20 0 EDADHO CC(C)CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCN(C)CC1 ZINC000900694827 592087827 /nfs/dbraw/zinc/08/78/27/592087827.db2.gz LFSCKJNKIWYBFF-GOSISDBHSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)CN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCN(C)CC1 ZINC000900694827 592087829 /nfs/dbraw/zinc/08/78/29/592087829.db2.gz LFSCKJNKIWYBFF-GOSISDBHSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)C[C@@H](CNC(=O)CCCN1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684504 592093680 /nfs/dbraw/zinc/09/36/80/592093680.db2.gz RQZPUCAUEUAPGT-SFHVURJKSA-N 1 3 340.556 1.885 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903173273 592130520 /nfs/dbraw/zinc/13/05/20/592130520.db2.gz XYWTVGRTZINJNX-AYLACGIVSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903173273 592130522 /nfs/dbraw/zinc/13/05/22/592130522.db2.gz XYWTVGRTZINJNX-AYLACGIVSA-N 1 3 333.476 1.560 20 0 EDADHO CS(=O)(=O)CC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903189309 592135984 /nfs/dbraw/zinc/13/59/84/592135984.db2.gz ANVXANHWDWBPPO-VHRNVKJDSA-N 1 3 326.506 1.949 20 0 EDADHO CS(=O)(=O)CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCC1 ZINC000903189309 592135986 /nfs/dbraw/zinc/13/59/86/592135986.db2.gz ANVXANHWDWBPPO-VHRNVKJDSA-N 1 3 326.506 1.949 20 0 EDADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903222319 592141494 /nfs/dbraw/zinc/14/14/94/592141494.db2.gz XYWTVGRTZINJNX-OOFTWTJGSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903222319 592141497 /nfs/dbraw/zinc/14/14/97/592141497.db2.gz XYWTVGRTZINJNX-OOFTWTJGSA-N 1 3 333.476 1.560 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@H]21 ZINC000903242513 592142706 /nfs/dbraw/zinc/14/27/06/592142706.db2.gz SATJFJLACXXTCE-QLFBSQMISA-N 1 3 334.464 1.666 20 0 EDADHO CC(C)(C)[C@@H](C[NH3+])NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903455367 592174141 /nfs/dbraw/zinc/17/41/41/592174141.db2.gz VVFJUSZTHDWPII-OAHLLOKOSA-N 1 3 333.432 1.262 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470826 592175155 /nfs/dbraw/zinc/17/51/55/592175155.db2.gz DQQHINULKZEDPN-DLBZAZTESA-N 1 3 330.476 1.280 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCOc1ccccc1Cl)C2 ZINC000903493692 592186224 /nfs/dbraw/zinc/18/62/24/592186224.db2.gz ZUNVPHLPLUFBMG-AHIWAGSCSA-N 1 3 338.835 1.931 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496666 592187600 /nfs/dbraw/zinc/18/76/00/592187600.db2.gz XYVFBBFPYXHGFF-IIAWOOMASA-N 1 3 349.475 1.625 20 0 EDADHO C[C@@H]1CN(CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1CC[NH3+] ZINC000903496800 592187724 /nfs/dbraw/zinc/18/77/24/592187724.db2.gz FDHMORNKJRSABV-ZIAGYGMSSA-N 1 3 326.462 1.386 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCN1C ZINC000906650699 592234495 /nfs/dbraw/zinc/23/44/95/592234495.db2.gz MBRLMXVYFFTOHP-IUODEOHRSA-N 1 3 332.448 1.418 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1CN ZINC000906658114 592240305 /nfs/dbraw/zinc/24/03/05/592240305.db2.gz VMUHPFOEJQNTOL-HNNXBMFYSA-N 1 3 332.448 1.417 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1CN ZINC000906658114 592240308 /nfs/dbraw/zinc/24/03/08/592240308.db2.gz VMUHPFOEJQNTOL-HNNXBMFYSA-N 1 3 332.448 1.417 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662480 592244702 /nfs/dbraw/zinc/24/47/02/592244702.db2.gz WVNAJHWSOZUFFK-CQSZACIVSA-N 1 3 346.475 1.619 20 0 EDADHO CC(C)(C)CC[C@H]([NH3+])CNCc1cccc(-n2cc(CN)nn2)c1 ZINC000904383940 592247277 /nfs/dbraw/zinc/24/72/77/592247277.db2.gz DLQPALJJPZNWCW-HNNXBMFYSA-N 1 3 330.480 1.969 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])n2)CC1 ZINC000904457737 592266015 /nfs/dbraw/zinc/26/60/15/592266015.db2.gz QONMQLAQMUAGKT-RDTXWAMCSA-N 1 3 346.479 1.885 20 0 EDADHO CN(C[C@@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725618 592285133 /nfs/dbraw/zinc/28/51/33/592285133.db2.gz DSGMWGOMUNUUJP-RTBURBONSA-N 1 3 348.487 1.655 20 0 EDADHO CCc1ccc([C@@H]2CNCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747067 592293864 /nfs/dbraw/zinc/29/38/64/592293864.db2.gz OVHUFQILMKIRQJ-UFYCRDLUSA-N 1 3 329.488 1.964 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)C23CCN(CC2)C3)CC1 ZINC000901273874 592308424 /nfs/dbraw/zinc/30/84/24/592308424.db2.gz NFBAVYCEFBFXQL-UHFFFAOYSA-N 1 3 337.508 1.679 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C23CCN(CC2)C3)CC1 ZINC000901273874 592308426 /nfs/dbraw/zinc/30/84/26/592308426.db2.gz NFBAVYCEFBFXQL-UHFFFAOYSA-N 1 3 337.508 1.679 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903813446 592330489 /nfs/dbraw/zinc/33/04/89/592330489.db2.gz GKAIHFRMAMQEMY-HZPDHXFCSA-N 1 3 343.537 1.642 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C2(CN)CCC2)C1 ZINC000903813446 592330495 /nfs/dbraw/zinc/33/04/95/592330495.db2.gz GKAIHFRMAMQEMY-HZPDHXFCSA-N 1 3 343.537 1.642 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C2(CN)CCC2)C1 ZINC000903813446 592330501 /nfs/dbraw/zinc/33/05/01/592330501.db2.gz GKAIHFRMAMQEMY-HZPDHXFCSA-N 1 3 343.537 1.642 20 0 EDADHO FC(F)(F)c1ccnc([C@H]2CCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000903827177 592335160 /nfs/dbraw/zinc/33/51/60/592335160.db2.gz PUQLCEXVYUIKAW-LBPRGKRZSA-N 1 3 329.370 1.190 20 0 EDADHO Fc1cccc([C@@H]2CNCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903905779 592372796 /nfs/dbraw/zinc/37/27/96/592372796.db2.gz NUBVTUVPWZKXRX-WMZOPIPTSA-N 1 3 344.438 1.488 20 0 EDADHO CN(C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203443 592381147 /nfs/dbraw/zinc/38/11/47/592381147.db2.gz DBHGQNDSULAVHK-SJLPKXTDSA-N 1 3 337.439 1.391 20 0 EDADHO CN(C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908203443 592381153 /nfs/dbraw/zinc/38/11/53/592381153.db2.gz DBHGQNDSULAVHK-SJLPKXTDSA-N 1 3 337.439 1.391 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCCC1)C[C@@]1(O)CCOC1 ZINC000905026306 592384940 /nfs/dbraw/zinc/38/49/40/592384940.db2.gz OAZLQIFUGSQKEX-PMACEKPBSA-N 1 3 348.487 1.665 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935895 592386365 /nfs/dbraw/zinc/38/63/65/592386365.db2.gz VOUUMXKCBMOGGR-INIZCTEOSA-N 1 3 335.496 1.228 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935895 592386369 /nfs/dbraw/zinc/38/63/69/592386369.db2.gz VOUUMXKCBMOGGR-INIZCTEOSA-N 1 3 335.496 1.228 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCCCCCNC(=O)CC2)cnn1C ZINC000903935895 592386373 /nfs/dbraw/zinc/38/63/73/592386373.db2.gz VOUUMXKCBMOGGR-INIZCTEOSA-N 1 3 335.496 1.228 20 0 EDADHO COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000903948218 592394276 /nfs/dbraw/zinc/39/42/76/592394276.db2.gz NQSZHJFQTYRABY-AWEZNQCLSA-N 1 3 345.443 1.029 20 0 EDADHO COC(=O)c1ccc2c(c1)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000903948218 592394279 /nfs/dbraw/zinc/39/42/79/592394279.db2.gz NQSZHJFQTYRABY-AWEZNQCLSA-N 1 3 345.443 1.029 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000908231006 592395016 /nfs/dbraw/zinc/39/50/16/592395016.db2.gz VJZZPSKFKSOCJE-YVWKXTFCSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CCN1Cc1ccccc1 ZINC000908231006 592395021 /nfs/dbraw/zinc/39/50/21/592395021.db2.gz VJZZPSKFKSOCJE-YVWKXTFCSA-N 1 3 345.487 1.612 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cc3c(cc1OC)OCO3)C2 ZINC000903977029 592398716 /nfs/dbraw/zinc/39/87/16/592398716.db2.gz HJABURFQUHNQCJ-JCGVRSQUSA-N 1 3 348.399 1.136 20 0 EDADHO C[C@](O)(CNCc1ccccc1C[NH+]1CCC(O)CC1)C(F)F ZINC000905143809 592435577 /nfs/dbraw/zinc/43/55/77/592435577.db2.gz CQOLBDXAPGXYBU-KRWDZBQOSA-N 1 3 328.403 1.749 20 0 EDADHO C[C@](O)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C(F)F ZINC000905143809 592435580 /nfs/dbraw/zinc/43/55/80/592435580.db2.gz CQOLBDXAPGXYBU-KRWDZBQOSA-N 1 3 328.403 1.749 20 0 EDADHO O[C@@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1(O)CCCC1 ZINC000905175515 592455499 /nfs/dbraw/zinc/45/54/99/592455499.db2.gz NBGGVBJLBCXTCT-BBWFWOEESA-N 1 3 326.481 1.010 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C[C@H](O)c2ccccc2)CCCO1 ZINC000905230959 592459374 /nfs/dbraw/zinc/45/93/74/592459374.db2.gz HQCSVVYOXYBYRI-NEWSRXKRSA-N 1 3 336.476 1.562 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C[C@H](O)c2ccccc2)CCCO1 ZINC000905230959 592459376 /nfs/dbraw/zinc/45/93/76/592459376.db2.gz HQCSVVYOXYBYRI-NEWSRXKRSA-N 1 3 336.476 1.562 20 0 EDADHO CCc1ccccc1NC(=O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904336707 592474872 /nfs/dbraw/zinc/47/48/72/592474872.db2.gz JOUHWUMZCIJTEN-WOVMCDHWSA-N 1 3 330.476 1.542 20 0 EDADHO CN1CCN(CC[NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000905245451 592475545 /nfs/dbraw/zinc/47/55/45/592475545.db2.gz DYWRFHIINHYYID-UHFFFAOYSA-N 1 3 335.536 1.789 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(C)[C@H]2C(C)C)C[C@H]1O ZINC000905503252 592546128 /nfs/dbraw/zinc/54/61/28/592546128.db2.gz OESYEJQTWBDUTA-DZVNLGKHSA-N 1 3 328.497 1.089 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@H](O)c3ccccn3)C2)[C@H]1C(C)C ZINC000905503660 592546851 /nfs/dbraw/zinc/54/68/51/592546851.db2.gz RNDCBIZCDIHFNT-FQBWVUSXSA-N 1 3 333.476 1.574 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@H](O)c3ccccn3)C2)[C@H]1C(C)C ZINC000905503660 592546852 /nfs/dbraw/zinc/54/68/52/592546852.db2.gz RNDCBIZCDIHFNT-FQBWVUSXSA-N 1 3 333.476 1.574 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911779007 593003209 /nfs/dbraw/zinc/00/32/09/593003209.db2.gz XVXCFLGOSAMXOE-ZYHUDNBSSA-N 1 3 329.366 1.432 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911799490 593012511 /nfs/dbraw/zinc/01/25/11/593012511.db2.gz YWORVEZUIMKFHN-JEBQAFNWSA-N 1 3 329.444 1.818 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303557 593085124 /nfs/dbraw/zinc/08/51/24/593085124.db2.gz KMLBZRZCRGSDOT-SOUVJXGZSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303557 593085125 /nfs/dbraw/zinc/08/51/25/593085125.db2.gz KMLBZRZCRGSDOT-SOUVJXGZSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899172 593647020 /nfs/dbraw/zinc/64/70/20/593647020.db2.gz DREXRBJEHYKCBB-FBUXBERBSA-N 1 3 348.365 1.961 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984923 593732390 /nfs/dbraw/zinc/73/23/90/593732390.db2.gz NABFVBQAEXKXQT-CVEARBPZSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984923 593732391 /nfs/dbraw/zinc/73/23/91/593732391.db2.gz NABFVBQAEXKXQT-CVEARBPZSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984923 593732392 /nfs/dbraw/zinc/73/23/92/593732392.db2.gz NABFVBQAEXKXQT-CVEARBPZSA-N 1 3 343.512 1.972 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1c(F)cccc1F ZINC000819174496 593742888 /nfs/dbraw/zinc/74/28/88/593742888.db2.gz QQDXZYZTDSPDFG-IXDOHACOSA-N 1 3 340.414 1.966 20 0 EDADHO Cc1ccc([C@@H](O)C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000819367304 593752068 /nfs/dbraw/zinc/75/20/68/593752068.db2.gz XECNHTMUOWPLJY-IBGZPJMESA-N 1 3 347.503 1.415 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2COC3(CCCCC3)O2)CC1 ZINC000820828693 593899530 /nfs/dbraw/zinc/89/95/30/593899530.db2.gz AMKPGLQQWSXBOJ-INIZCTEOSA-N 1 3 326.481 1.887 20 0 EDADHO C[C@H](NC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847373 594964776 /nfs/dbraw/zinc/96/47/76/594964776.db2.gz VTYINCNAPFMITG-BLLLJJGKSA-N 1 3 331.416 1.674 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841927232 594983280 /nfs/dbraw/zinc/98/32/80/594983280.db2.gz HCZKIOWBPBSBGY-MSOLQXFVSA-N 1 3 330.476 1.956 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(Cl)n1 ZINC000834317036 595092590 /nfs/dbraw/zinc/09/25/90/595092590.db2.gz OLMRFFRFNIODOC-RTXFEEFZSA-N 1 3 326.828 1.008 20 0 EDADHO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387907 595097321 /nfs/dbraw/zinc/09/73/21/595097321.db2.gz YAKPFVHBOIUBRO-UPJWGTAASA-N 1 3 343.431 1.527 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2NCCc3ccccc32)c(F)c1 ZINC000846176841 595165373 /nfs/dbraw/zinc/16/53/73/595165373.db2.gz IMTMKWNFJHNXIY-GOSISDBHSA-N 1 3 342.418 1.971 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000834775813 595209077 /nfs/dbraw/zinc/20/90/77/595209077.db2.gz BTLDOGWNJNDBOU-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000844166903 595288788 /nfs/dbraw/zinc/28/87/88/595288788.db2.gz VMDOSJBECMLEKR-SFHVURJKSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H](CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170076 595290154 /nfs/dbraw/zinc/29/01/54/595290154.db2.gz GOTAWHPNZWSLAK-MAUKXSAKSA-N 1 3 337.508 1.772 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844169982 595290271 /nfs/dbraw/zinc/29/02/71/595290271.db2.gz DNUVFGINLIRVAX-QZTJIDSGSA-N 1 3 331.460 1.489 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170663 595290479 /nfs/dbraw/zinc/29/04/79/595290479.db2.gz LBNSOIMAHRNNQI-MSOLQXFVSA-N 1 3 331.460 1.316 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189542 595297486 /nfs/dbraw/zinc/29/74/86/595297486.db2.gz NEZNNFGELBMSFG-QZTJIDSGSA-N 1 3 331.460 1.488 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccccc2)[nH]1 ZINC000849074421 595478246 /nfs/dbraw/zinc/47/82/46/595478246.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 1 3 327.436 1.570 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489034 595548829 /nfs/dbraw/zinc/54/88/29/595548829.db2.gz QPTYNXLJVMQPDK-QZTJIDSGSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489034 595548831 /nfs/dbraw/zinc/54/88/31/595548831.db2.gz QPTYNXLJVMQPDK-QZTJIDSGSA-N 1 3 347.507 1.444 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852857967 595579023 /nfs/dbraw/zinc/57/90/23/595579023.db2.gz LKJCNGQKMJLYSI-YOEHRIQHSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852857967 595579026 /nfs/dbraw/zinc/57/90/26/595579026.db2.gz LKJCNGQKMJLYSI-YOEHRIQHSA-N 1 3 344.459 1.781 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585532 /nfs/dbraw/zinc/58/55/32/595585532.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 1 3 349.523 1.692 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585535 /nfs/dbraw/zinc/58/55/35/595585535.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 1 3 349.523 1.692 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@@H](CN)C2)C[N@@H+]1Cc1ccccc1 ZINC000852888020 595599556 /nfs/dbraw/zinc/59/95/56/595599556.db2.gz GYLHJKKHAKZHEP-HYVNUMGLSA-N 1 3 344.459 1.507 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@@H](CN)C2)C[N@H+]1Cc1ccccc1 ZINC000852888020 595599557 /nfs/dbraw/zinc/59/95/57/595599557.db2.gz GYLHJKKHAKZHEP-HYVNUMGLSA-N 1 3 344.459 1.507 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=S)NC1CCN([C@@H]2CCOC2)CC1 ZINC000853030211 595646413 /nfs/dbraw/zinc/64/64/13/595646413.db2.gz SDMLVLQXVRQZOK-OAHLLOKOSA-N 1 3 342.553 1.292 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851667447 595876920 /nfs/dbraw/zinc/87/69/20/595876920.db2.gz PBFFEHAVBAVFBA-UONOGXRCSA-N 1 3 330.423 1.405 20 0 EDADHO [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000851688447 595885992 /nfs/dbraw/zinc/88/59/92/595885992.db2.gz AMBOPQQNAXWZIG-HNNXBMFYSA-N 1 3 338.496 1.145 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000861630996 596052401 /nfs/dbraw/zinc/05/24/01/596052401.db2.gz XHYJYSZJXMGVNX-KVSKMBFKSA-N 1 3 330.476 1.948 20 0 EDADHO CC(C)n1cc(C2=CCC[N@H+](C[C@H](O)CN3CCCC3)CC2)nn1 ZINC000852134440 596058005 /nfs/dbraw/zinc/05/80/05/596058005.db2.gz ZPGWZWJEYAVVED-QGZVFWFLSA-N 1 3 333.480 1.795 20 0 EDADHO CC(C)n1cc(C2=CCC[N@@H+](C[C@H](O)CN3CCCC3)CC2)nn1 ZINC000852134440 596058009 /nfs/dbraw/zinc/05/80/09/596058009.db2.gz ZPGWZWJEYAVVED-QGZVFWFLSA-N 1 3 333.480 1.795 20 0 EDADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861712665 596076818 /nfs/dbraw/zinc/07/68/18/596076818.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 1 3 335.492 1.309 20 0 EDADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861712665 596076822 /nfs/dbraw/zinc/07/68/22/596076822.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 1 3 335.492 1.309 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866711051 596303791 /nfs/dbraw/zinc/30/37/91/596303791.db2.gz AOLPVBPBSSQVDT-KXNHARMFSA-N 1 3 334.247 1.437 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870866441 596382413 /nfs/dbraw/zinc/38/24/13/596382413.db2.gz VYZRAWWBKNXQBS-WGSAOQKQSA-N 1 3 344.503 1.568 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000870866440 596382777 /nfs/dbraw/zinc/38/27/77/596382777.db2.gz VYZRAWWBKNXQBS-KDURUIRLSA-N 1 3 344.503 1.568 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)ccc2oc1=O ZINC000870875689 596386052 /nfs/dbraw/zinc/38/60/52/596386052.db2.gz GZMDICBLAOJIOG-JOCQHMNTSA-N 1 3 346.431 1.612 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883815 596389035 /nfs/dbraw/zinc/38/90/35/596389035.db2.gz JBMHEGFQQCQJFB-CQSZACIVSA-N 1 3 334.489 1.824 20 0 EDADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000870914346 596401344 /nfs/dbraw/zinc/40/13/44/596401344.db2.gz PIEVWGNWISQTCO-WRMBXCAGSA-N 1 3 325.456 1.847 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC000869238265 596456972 /nfs/dbraw/zinc/45/69/72/596456972.db2.gz YLDFYAFRYBJJER-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnc(-n2cccc2)c1 ZINC000869238265 596456975 /nfs/dbraw/zinc/45/69/75/596456975.db2.gz YLDFYAFRYBJJER-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000863553606 596615811 /nfs/dbraw/zinc/61/58/11/596615811.db2.gz GMWPRUVNAPFQAI-CABCVRRESA-N 1 3 327.469 1.336 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3C4CCC3(C[NH3+])CC4)cn2)CC1 ZINC000868190156 596716810 /nfs/dbraw/zinc/71/68/10/596716810.db2.gz IEDJZOSPDKLMBA-UHFFFAOYSA-N 1 3 332.452 1.637 20 0 EDADHO CN(CCCCCC[NH3+])CC(=O)NC(=O)NCc1cccs1 ZINC000872155201 596815904 /nfs/dbraw/zinc/81/59/04/596815904.db2.gz NMFQATQUAIJLKP-UHFFFAOYSA-N 1 3 326.466 1.525 20 0 EDADHO CCS(=O)(=O)NCCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158248 596816545 /nfs/dbraw/zinc/81/65/45/596816545.db2.gz UJHFSHNEXDHSSZ-GOEBONIOSA-N 1 3 331.526 1.545 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875726899 596963892 /nfs/dbraw/zinc/96/38/92/596963892.db2.gz XXIRBICFUFLYPK-UHFFFAOYSA-N 1 3 340.512 1.164 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875743373 596970060 /nfs/dbraw/zinc/97/00/60/596970060.db2.gz QUAOXHBVKYLPKQ-HOTGVXAUSA-N 1 3 340.512 1.251 20 0 EDADHO Cc1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n(C2CCN(C)CC2)n1 ZINC000873312469 597253619 /nfs/dbraw/zinc/25/36/19/597253619.db2.gz PHLLPXDIAZSKIJ-KBXCAEBGSA-N 1 3 346.479 1.531 20 0 EDADHO CN(CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299472 /nfs/dbraw/zinc/29/94/72/597299472.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 1 3 348.491 1.263 20 0 EDADHO CN(CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299476 /nfs/dbraw/zinc/29/94/76/597299476.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 1 3 348.491 1.263 20 0 EDADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](N)CN(C)C ZINC000876712097 597299634 /nfs/dbraw/zinc/29/96/34/597299634.db2.gz BOPZDUPMHXPFSD-HNNXBMFYSA-N 1 3 326.510 1.307 20 0 EDADHO CC[C@@H](C)N(C)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875166809 597310984 /nfs/dbraw/zinc/31/09/84/597310984.db2.gz HTTCHWKESYIGIZ-KSTDHSDQSA-N 1 3 340.512 1.212 20 0 EDADHO CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000876742012 597316471 /nfs/dbraw/zinc/31/64/71/597316471.db2.gz MNKSGUKBRDGMQJ-ZWKOTPCHSA-N 1 3 344.503 1.920 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847421 597358016 /nfs/dbraw/zinc/35/80/16/597358016.db2.gz KOMDJCQYKMNZDS-MOPGFXCFSA-N 1 3 339.439 1.568 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876850244 597358854 /nfs/dbraw/zinc/35/88/54/597358854.db2.gz MIKYIGFLGYCIPB-HOCLYGCPSA-N 1 3 325.403 1.664 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876876331 597365473 /nfs/dbraw/zinc/36/54/73/597365473.db2.gz NWQZRMKSAKBDND-WBMJQRKESA-N 1 3 343.393 1.803 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)C[C@H]1C(F)(F)F ZINC000877355106 597499403 /nfs/dbraw/zinc/49/94/03/597499403.db2.gz GSXANYWBYQBJPU-BNOWGMLFSA-N 1 3 327.350 1.817 20 0 EDADHO CN1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000881439720 597619713 /nfs/dbraw/zinc/61/97/13/597619713.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CN1CCN(C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000881439720 597619716 /nfs/dbraw/zinc/61/97/16/597619716.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000883437200 597746717 /nfs/dbraw/zinc/74/67/17/597746717.db2.gz LXTGNNZDDLPHPX-YESZJQIVSA-N 1 3 349.475 1.735 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914069729 695065341 /nfs/dbraw/zinc/06/53/41/695065341.db2.gz ZITFCMQGYFRFIA-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO O=S(=O)(C[C@@]12CCN(C1)CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000914169524 695255673 /nfs/dbraw/zinc/25/56/73/695255673.db2.gz VJYAYYRYAMMDJS-IRXDYDNUSA-N 1 3 341.521 1.220 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031859018 700026289 /nfs/dbraw/zinc/02/62/89/700026289.db2.gz LFZDZEWUHPXCSX-KGXSXCIVSA-N 1 3 345.487 1.398 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031859018 700026292 /nfs/dbraw/zinc/02/62/92/700026292.db2.gz LFZDZEWUHPXCSX-KGXSXCIVSA-N 1 3 345.487 1.398 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008288 700109891 /nfs/dbraw/zinc/10/98/91/700109891.db2.gz HPNSMXSVTYHHIR-JKSUJKDBSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008542 700110290 /nfs/dbraw/zinc/11/02/90/700110290.db2.gz SAUQMKFXCYTGHA-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000918009482 697119424 /nfs/dbraw/zinc/11/94/24/697119424.db2.gz FRXDVJZKIIDJMB-CVEARBPZSA-N 1 3 329.510 1.124 20 0 EDADHO C[N@H+]1CCCC[C@H](CNS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000918009482 697119426 /nfs/dbraw/zinc/11/94/26/697119426.db2.gz FRXDVJZKIIDJMB-CVEARBPZSA-N 1 3 329.510 1.124 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000918894977 697221478 /nfs/dbraw/zinc/22/14/78/697221478.db2.gz ZDYNPRRVEMSUAU-NVXWUHKLSA-N 1 3 331.464 1.610 20 0 EDADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)OC)CC2)N(C)C ZINC001040852697 697378231 /nfs/dbraw/zinc/37/82/31/697378231.db2.gz BPBAYDOHDJJASK-CVEARBPZSA-N 1 3 325.497 1.676 20 0 EDADHO O=C(NCC1CN(C[C@@H](O)C2CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675294 697485119 /nfs/dbraw/zinc/48/51/19/697485119.db2.gz BOEDLXLGWQYFGN-RBUKOAKNSA-N 1 3 349.519 1.317 20 0 EDADHO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000921368481 697574772 /nfs/dbraw/zinc/57/47/72/697574772.db2.gz PESYSHUEVGITIJ-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO C[N@H+]1CC[C@@H]1CNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000921368481 697574774 /nfs/dbraw/zinc/57/47/74/697574774.db2.gz PESYSHUEVGITIJ-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000940115389 700230496 /nfs/dbraw/zinc/23/04/96/700230496.db2.gz KGLFQDRUVNGBPZ-KRWDZBQOSA-N 1 3 346.475 1.796 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000940123640 700256547 /nfs/dbraw/zinc/25/65/47/700256547.db2.gz PRLUDHLTLOFXNV-LSDHHAIUSA-N 1 3 348.495 1.314 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(C)(NCc3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC000940123640 700256552 /nfs/dbraw/zinc/25/65/52/700256552.db2.gz PRLUDHLTLOFXNV-LSDHHAIUSA-N 1 3 348.495 1.314 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(F)cc1F ZINC000939544560 699686156 /nfs/dbraw/zinc/68/61/56/699686156.db2.gz KQXJGNJLGMKYIN-CXAGYDPISA-N 1 3 349.425 1.997 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677133 701615791 /nfs/dbraw/zinc/61/57/91/701615791.db2.gz LUZMKQMRZGOYQQ-IAGOWNOFSA-N 1 3 336.524 1.488 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675321 701615072 /nfs/dbraw/zinc/61/50/72/701615072.db2.gz ZCWSAKHSXKNZQR-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675321 701615073 /nfs/dbraw/zinc/61/50/73/701615073.db2.gz ZCWSAKHSXKNZQR-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000940329148 700508048 /nfs/dbraw/zinc/50/80/48/700508048.db2.gz QAWKAXQVNWTTLZ-WMLDXEAASA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000940329148 700508049 /nfs/dbraw/zinc/50/80/49/700508049.db2.gz QAWKAXQVNWTTLZ-WMLDXEAASA-N 1 3 347.507 1.397 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1)N(C)C ZINC000940334759 700514850 /nfs/dbraw/zinc/51/48/50/700514850.db2.gz PBGFZPAYESQRIG-INIZCTEOSA-N 1 3 333.480 1.596 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940785900 700896483 /nfs/dbraw/zinc/89/64/83/700896483.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940785900 700896485 /nfs/dbraw/zinc/89/64/85/700896485.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941430830 701537760 /nfs/dbraw/zinc/53/77/60/701537760.db2.gz DBXGOWASZUGDEK-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC(C)C)C2)CC1 ZINC000941430830 701537761 /nfs/dbraw/zinc/53/77/61/701537761.db2.gz DBXGOWASZUGDEK-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354401 702732053 /nfs/dbraw/zinc/73/20/53/702732053.db2.gz HJXYAFPIIDALTO-HUUCEWRRSA-N 1 3 334.464 1.594 20 0 EDADHO C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC000996661750 702955809 /nfs/dbraw/zinc/95/58/09/702955809.db2.gz AAZLYDWRNAEAQZ-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996663607 702961542 /nfs/dbraw/zinc/96/15/42/702961542.db2.gz HTNKUJDQSIRYGG-UHFFFAOYSA-N 1 3 334.464 1.856 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996676700 702975468 /nfs/dbraw/zinc/97/54/68/702975468.db2.gz HSJXFYXUKNHWOK-KRWDZBQOSA-N 1 3 333.480 1.324 20 0 EDADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1)c1cnccn1 ZINC000996726083 703021176 /nfs/dbraw/zinc/02/11/76/703021176.db2.gz WEUIOMCRBOOJGA-PBHICJAKSA-N 1 3 331.464 1.603 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026689 703044545 /nfs/dbraw/zinc/04/45/45/703044545.db2.gz ILGZREXMNLVSHB-GOSISDBHSA-N 1 3 337.508 1.724 20 0 EDADHO CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC000996852754 703131181 /nfs/dbraw/zinc/13/11/81/703131181.db2.gz BSWSVMRNWICJCF-ZIAGYGMSSA-N 1 3 335.414 1.965 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005283 703262283 /nfs/dbraw/zinc/26/22/83/703262283.db2.gz DHHWKBAHWGWRAY-CRAIPNDOSA-N 1 3 347.507 1.742 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005283 703262286 /nfs/dbraw/zinc/26/22/86/703262286.db2.gz DHHWKBAHWGWRAY-CRAIPNDOSA-N 1 3 347.507 1.742 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997006939 703264057 /nfs/dbraw/zinc/26/40/57/703264057.db2.gz HUFAORIGXRSDFJ-CXAGYDPISA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997006939 703264058 /nfs/dbraw/zinc/26/40/58/703264058.db2.gz HUFAORIGXRSDFJ-CXAGYDPISA-N 1 3 331.464 1.063 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1 ZINC000997041402 703291742 /nfs/dbraw/zinc/29/17/42/703291742.db2.gz JVZOEPLKAAMNBI-KRWDZBQOSA-N 1 3 334.464 1.474 20 0 EDADHO Cc1nc(CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC000997042273 703292457 /nfs/dbraw/zinc/29/24/57/703292457.db2.gz OONZVYSKIITQKC-UHFFFAOYSA-N 1 3 333.461 1.540 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997059347 703303454 /nfs/dbraw/zinc/30/34/54/703303454.db2.gz AMANUSOFDWOEBX-SFHVURJKSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000997059347 703303455 /nfs/dbraw/zinc/30/34/55/703303455.db2.gz AMANUSOFDWOEBX-SFHVURJKSA-N 1 3 347.507 1.764 20 0 EDADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085690 703331378 /nfs/dbraw/zinc/33/13/78/703331378.db2.gz SREJBWRNIBSLFH-ZBFHGGJFSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085690 703331380 /nfs/dbraw/zinc/33/13/80/703331380.db2.gz SREJBWRNIBSLFH-ZBFHGGJFSA-N 1 3 349.504 1.636 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921531661 703392156 /nfs/dbraw/zinc/39/21/56/703392156.db2.gz ZPLYDXIMRCVZCT-MRXNPFEDSA-N 1 3 332.492 1.504 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001032053280 703403850 /nfs/dbraw/zinc/40/38/50/703403850.db2.gz YCNHZQHFEPAKOP-GOSISDBHSA-N 1 3 333.476 1.835 20 0 EDADHO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000997605048 703901379 /nfs/dbraw/zinc/90/13/79/703901379.db2.gz CNVVPCVCUGEQRD-QGZVFWFLSA-N 1 3 346.475 1.513 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997612021 703909514 /nfs/dbraw/zinc/90/95/14/703909514.db2.gz IXHUEGHQMBINHF-DLBZAZTESA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000997615782 703914804 /nfs/dbraw/zinc/91/48/04/703914804.db2.gz WWEALIKUZQMLSI-OAHLLOKOSA-N 1 3 336.505 1.874 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310819 /nfs/dbraw/zinc/31/08/19/704310819.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 1 3 347.503 1.430 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310821 /nfs/dbraw/zinc/31/08/21/704310821.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 1 3 347.503 1.430 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCOC2)CC[N@@H+]1C ZINC001032587359 705113042 /nfs/dbraw/zinc/11/30/42/705113042.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCOC2)CC[N@H+]1C ZINC001032587359 705113044 /nfs/dbraw/zinc/11/30/44/705113044.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 1 3 335.492 1.428 20 0 EDADHO Cn1cc(C[NH2+]CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000998081599 705302355 /nfs/dbraw/zinc/30/23/55/705302355.db2.gz KJUBXHQHKCITHM-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082078 705308359 /nfs/dbraw/zinc/30/83/59/705308359.db2.gz NNHQOZQBZLFGDJ-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ncccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998113774 705364350 /nfs/dbraw/zinc/36/43/50/705364350.db2.gz CPPJQVRJIJNFBS-UHFFFAOYSA-N 1 3 327.432 1.684 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998216375 705537963 /nfs/dbraw/zinc/53/79/63/705537963.db2.gz HIWVMLIHEHNPLC-RDJZCZTQSA-N 1 3 345.491 1.708 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998216375 705537966 /nfs/dbraw/zinc/53/79/66/705537966.db2.gz HIWVMLIHEHNPLC-RDJZCZTQSA-N 1 3 345.491 1.708 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032627610 705736083 /nfs/dbraw/zinc/73/60/83/705736083.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032627610 705736085 /nfs/dbraw/zinc/73/60/85/705736085.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 1 3 335.492 1.430 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733852 706167240 /nfs/dbraw/zinc/16/72/40/706167240.db2.gz UQONELQCTRAWOA-IAGOWNOFSA-N 1 3 347.507 1.813 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000998781979 706222917 /nfs/dbraw/zinc/22/29/17/706222917.db2.gz ZTPJWCQGUBZZSP-VMBOVVBDSA-N 1 3 348.516 1.872 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349251 706861315 /nfs/dbraw/zinc/86/13/15/706861315.db2.gz RYWZQTOVQCYZRQ-HZPDHXFCSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349251 706861317 /nfs/dbraw/zinc/86/13/17/706861317.db2.gz RYWZQTOVQCYZRQ-HZPDHXFCSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999378325 706872559 /nfs/dbraw/zinc/87/25/59/706872559.db2.gz XXUWCHGYNBALMP-QZTJIDSGSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999409548 706919108 /nfs/dbraw/zinc/91/91/08/706919108.db2.gz QNUGETKOQZJGFV-UWTIGNOOSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999409548 706919109 /nfs/dbraw/zinc/91/91/09/706919109.db2.gz QNUGETKOQZJGFV-UWTIGNOOSA-N 1 3 334.464 1.712 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)N(C)C ZINC000999435813 706943249 /nfs/dbraw/zinc/94/32/49/706943249.db2.gz SLCVVULLBVHSHG-OALUTQOASA-N 1 3 347.503 1.846 20 0 EDADHO CCn1nncc1CNC1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999509329 707007161 /nfs/dbraw/zinc/00/71/61/707007161.db2.gz QLMOELUJKJVFTP-UHFFFAOYSA-N 1 3 348.495 1.109 20 0 EDADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H](NCc2cnns2)C1 ZINC000999614001 707131300 /nfs/dbraw/zinc/13/13/00/707131300.db2.gz LIXVZUHNKMXJBY-CYBMUJFWSA-N 1 3 342.428 1.580 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCc2ccncc2Cl)C1 ZINC000999833802 707466356 /nfs/dbraw/zinc/46/63/56/707466356.db2.gz DGWYDQMVQOMDON-NFOMZHRRSA-N 1 3 336.867 1.766 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCc2ccncc2Cl)C1 ZINC000999833802 707466363 /nfs/dbraw/zinc/46/63/63/707466363.db2.gz DGWYDQMVQOMDON-NFOMZHRRSA-N 1 3 336.867 1.766 20 0 EDADHO COc1cc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999836912 707472947 /nfs/dbraw/zinc/47/29/47/707472947.db2.gz MFENHZAXACZPGM-HIFPTAJRSA-N 1 3 338.477 1.182 20 0 EDADHO COc1cc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999836912 707472950 /nfs/dbraw/zinc/47/29/50/707472950.db2.gz MFENHZAXACZPGM-HIFPTAJRSA-N 1 3 338.477 1.182 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000999876287 707523649 /nfs/dbraw/zinc/52/36/49/707523649.db2.gz LDJQNNASHQBATR-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000999876287 707523654 /nfs/dbraw/zinc/52/36/54/707523654.db2.gz LDJQNNASHQBATR-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C(C)C)nn2)C1 ZINC000999994063 707671755 /nfs/dbraw/zinc/67/17/55/707671755.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 1 3 334.468 1.034 20 0 EDADHO CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCN3C(C)C)nn2)C1 ZINC000999994063 707671758 /nfs/dbraw/zinc/67/17/58/707671758.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 1 3 334.468 1.034 20 0 EDADHO Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001000194469 707830919 /nfs/dbraw/zinc/83/09/19/707830919.db2.gz VQGNXZSTFVEDCC-CRAIPNDOSA-N 1 3 330.476 1.812 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001033225447 707853634 /nfs/dbraw/zinc/85/36/34/707853634.db2.gz HDOGONOZRYPUHS-DLBZAZTESA-N 1 3 335.492 1.717 20 0 EDADHO Cc1oncc1CN[C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982082 707860680 /nfs/dbraw/zinc/86/06/80/707860680.db2.gz OSSZDNIJGPCJLL-RHSMWYFYSA-N 1 3 346.475 1.938 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1 ZINC001032802228 708085573 /nfs/dbraw/zinc/08/55/73/708085573.db2.gz RICGRTRZXTZIJV-BZSNNMDCSA-N 1 3 335.492 1.574 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001001911718 708417245 /nfs/dbraw/zinc/41/72/45/708417245.db2.gz PLFJYPCHASFJIP-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001002159967 708673871 /nfs/dbraw/zinc/67/38/71/708673871.db2.gz SAQNOWLPLHXLJU-OAHLLOKOSA-N 1 3 333.476 1.571 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793175 709401297 /nfs/dbraw/zinc/40/12/97/709401297.db2.gz WJPFGICBCXPEDC-SFHVURJKSA-N 1 3 347.507 1.416 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953779 709654071 /nfs/dbraw/zinc/65/40/71/709654071.db2.gz CKTOFBWDHGRFPJ-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642159 710317920 /nfs/dbraw/zinc/31/79/20/710317920.db2.gz ADBQYMFQWIXNBB-BQFCYCMXSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646161 710322259 /nfs/dbraw/zinc/32/22/59/710322259.db2.gz DDQXOBIPUUHNTM-XLAORIBOSA-N 1 3 337.508 1.913 20 0 EDADHO C[NH+]1CCC(C(=O)NC2CCN(CCc3ccns3)CC2)CC1 ZINC001003549073 710414498 /nfs/dbraw/zinc/41/44/98/710414498.db2.gz YRRRMDVJFVGDMZ-UHFFFAOYSA-N 1 3 336.505 1.608 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628499 710458660 /nfs/dbraw/zinc/45/86/60/710458660.db2.gz RBDGSIAXVPEWAS-CXAGYDPISA-N 1 3 329.460 1.160 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001003737127 710518590 /nfs/dbraw/zinc/51/85/90/710518590.db2.gz GMYNDMHRWCROBQ-DOTOQJQBSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733396 710913799 /nfs/dbraw/zinc/91/37/99/710913799.db2.gz BHYYCGYYRVGUNV-BRSBDYLESA-N 1 3 337.508 1.914 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735451 710920927 /nfs/dbraw/zinc/92/09/27/710920927.db2.gz HMEMGLXWDNRHKP-BRSBDYLESA-N 1 3 337.508 1.914 20 0 EDADHO COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001034885138 711288878 /nfs/dbraw/zinc/28/88/78/711288878.db2.gz PFGDMUTWHIRQSQ-SJLPKXTDSA-N 1 3 331.460 1.870 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034937019 711437337 /nfs/dbraw/zinc/43/73/37/711437337.db2.gz ZDNWXCYCDXOCIY-IAGOWNOFSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034937019 711437341 /nfs/dbraw/zinc/43/73/41/711437341.db2.gz ZDNWXCYCDXOCIY-IAGOWNOFSA-N 1 3 333.480 1.374 20 0 EDADHO CO[C@H](CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149183 711563307 /nfs/dbraw/zinc/56/33/07/711563307.db2.gz FRHJXXYTYVRQPP-PKOBYXMFSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@H](CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149183 711563310 /nfs/dbraw/zinc/56/33/10/711563310.db2.gz FRHJXXYTYVRQPP-PKOBYXMFSA-N 1 3 345.487 1.906 20 0 EDADHO C[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000557632973 306231393 /nfs/dbraw/zinc/23/13/93/306231393.db2.gz XLSYCGLXGKEUGD-INIZCTEOSA-N 1 3 345.487 1.601 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000262119970 282148307 /nfs/dbraw/zinc/14/83/07/282148307.db2.gz VMWBUOHWNLLGMD-AWEZNQCLSA-N 1 3 325.478 1.416 20 0 EDADHO CN(C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)C(C)(C)C ZINC000173778282 231031178 /nfs/dbraw/zinc/03/11/78/231031178.db2.gz RSLCMZSXEJOOMY-LSDHHAIUSA-N 1 3 335.496 1.872 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000111794376 282241726 /nfs/dbraw/zinc/24/17/26/282241726.db2.gz HOXOPJSSBZJVOF-GOSISDBHSA-N 1 3 348.491 1.293 20 0 EDADHO C[C@@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457012 305109746 /nfs/dbraw/zinc/10/97/46/305109746.db2.gz OBTXMONPLAIKHA-OAGGEKHMSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928905 /nfs/dbraw/zinc/92/89/05/539928905.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1 ZINC000352922390 539928908 /nfs/dbraw/zinc/92/89/08/539928908.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000352922390 539928914 /nfs/dbraw/zinc/92/89/14/539928914.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H](C)O1 ZINC000352922390 539928919 /nfs/dbraw/zinc/92/89/19/539928919.db2.gz REGBFPXYDWKEPZ-YJJCSNFXSA-N 1 3 325.497 1.014 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCCOC3)c2)C1 ZINC000156941749 539959961 /nfs/dbraw/zinc/95/99/61/539959961.db2.gz ONCKVISJMROTLF-QZTJIDSGSA-N 1 3 331.460 1.653 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCCOC3)c2)C1 ZINC000156941749 539959965 /nfs/dbraw/zinc/95/99/65/539959965.db2.gz ONCKVISJMROTLF-QZTJIDSGSA-N 1 3 331.460 1.653 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000562808606 306309876 /nfs/dbraw/zinc/30/98/76/306309876.db2.gz DYIOERSDYZSDEF-ZBFHGGJFSA-N 1 3 331.464 1.738 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562949524 306313340 /nfs/dbraw/zinc/31/33/40/306313340.db2.gz HRWJPDSZTWMGGU-IEBWSBKVSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562949524 306313341 /nfs/dbraw/zinc/31/33/41/306313341.db2.gz HRWJPDSZTWMGGU-IEBWSBKVSA-N 1 3 331.460 1.176 20 0 EDADHO CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000562998082 306314954 /nfs/dbraw/zinc/31/49/54/306314954.db2.gz YZEYGAQXDOJNJJ-LJQANCHMSA-N 1 3 349.519 1.604 20 0 EDADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000563088870 306318490 /nfs/dbraw/zinc/31/84/90/306318490.db2.gz ANFIOJJZSKCSNK-RBUKOAKNSA-N 1 3 344.503 1.183 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)CCN1Cc1ccccc1 ZINC000379653538 540159786 /nfs/dbraw/zinc/15/97/86/540159786.db2.gz GCNDAKUSZGQERT-HKUYNNGSSA-N 1 3 344.503 1.403 20 0 EDADHO CC(C)OCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758281 138135277 /nfs/dbraw/zinc/13/52/77/138135277.db2.gz UMANGSZFBZQTFR-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCCCC1 ZINC000076306827 138247914 /nfs/dbraw/zinc/24/79/14/138247914.db2.gz BPTTWSKCBHNZJT-QGZVFWFLSA-N 1 3 325.497 1.772 20 0 EDADHO Cc1cccc2c1OC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000564649961 306361899 /nfs/dbraw/zinc/36/18/99/306361899.db2.gz BLIHRUJKEHMZOY-KRWDZBQOSA-N 1 3 348.491 1.433 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000564716681 306363394 /nfs/dbraw/zinc/36/33/94/306363394.db2.gz QUOPSFAUBZEUAZ-GBESFXJTSA-N 1 3 345.487 1.564 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N1CCOC2(CNC2)C1)c1ccccc1 ZINC000565352767 306381997 /nfs/dbraw/zinc/38/19/97/306381997.db2.gz XRZAMIJDMLQQNE-QGZVFWFLSA-N 1 3 346.475 1.453 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414556212 304122056 /nfs/dbraw/zinc/12/20/56/304122056.db2.gz JLSAOLJWIGHEKJ-MJGOQNOKSA-N 1 3 333.476 1.004 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414556212 304122057 /nfs/dbraw/zinc/12/20/57/304122057.db2.gz JLSAOLJWIGHEKJ-MJGOQNOKSA-N 1 3 333.476 1.004 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000414694840 304128325 /nfs/dbraw/zinc/12/83/25/304128325.db2.gz GFEODWVBHCKWRQ-IAGOWNOFSA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000414694840 304128327 /nfs/dbraw/zinc/12/83/27/304128327.db2.gz GFEODWVBHCKWRQ-IAGOWNOFSA-N 1 3 342.443 1.014 20 0 EDADHO COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414744200 304135913 /nfs/dbraw/zinc/13/59/13/304135913.db2.gz JKZXTFFGTNDVIO-HNNXBMFYSA-N 1 3 331.460 1.293 20 0 EDADHO COc1ccc2c(c1)CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414744200 304135916 /nfs/dbraw/zinc/13/59/16/304135916.db2.gz JKZXTFFGTNDVIO-HNNXBMFYSA-N 1 3 331.460 1.293 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000414762105 304138126 /nfs/dbraw/zinc/13/81/26/304138126.db2.gz VKNXLXDUTNGNLU-AZUAARDMSA-N 1 3 345.487 1.253 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000414762105 304138127 /nfs/dbraw/zinc/13/81/27/304138127.db2.gz VKNXLXDUTNGNLU-AZUAARDMSA-N 1 3 345.487 1.253 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000414763004 304138164 /nfs/dbraw/zinc/13/81/64/304138164.db2.gz WVYDXVNAJWBJER-YLJYHZDGSA-N 1 3 345.487 1.210 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000414763004 304138165 /nfs/dbraw/zinc/13/81/65/304138165.db2.gz WVYDXVNAJWBJER-YLJYHZDGSA-N 1 3 345.487 1.210 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772720 304139490 /nfs/dbraw/zinc/13/94/90/304139490.db2.gz VHNYFDNLIGVWSS-CALCHBBNSA-N 1 3 348.491 1.883 20 0 EDADHO CC(C)n1ccc(C[C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989751 304148643 /nfs/dbraw/zinc/14/86/43/304148643.db2.gz QYLHSNNKLRHGLE-DZGCQCFKSA-N 1 3 347.429 1.821 20 0 EDADHO COc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1OC ZINC000414990485 304148650 /nfs/dbraw/zinc/14/86/50/304148650.db2.gz PEFOVQFRAIMZGY-QAPCUYQASA-N 1 3 347.459 1.440 20 0 EDADHO COc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1OC ZINC000415131752 304162582 /nfs/dbraw/zinc/16/25/82/304162582.db2.gz JWLXFBOUESKWDY-CVEARBPZSA-N 1 3 332.444 1.904 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195154540 139008201 /nfs/dbraw/zinc/00/82/01/139008201.db2.gz LCLBNWLIQIGLEC-GOSISDBHSA-N 1 3 344.503 1.440 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000156141413 205065920 /nfs/dbraw/zinc/06/59/20/205065920.db2.gz WEIDYHRLGSCJKO-UHFFFAOYSA-N 1 3 333.476 1.979 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000111794366 220191417 /nfs/dbraw/zinc/19/14/17/220191417.db2.gz BBKJBZNBVJZMOE-ZWKOTPCHSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000111794366 220191419 /nfs/dbraw/zinc/19/14/19/220191419.db2.gz BBKJBZNBVJZMOE-ZWKOTPCHSA-N 1 3 348.491 1.699 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000111834925 220202398 /nfs/dbraw/zinc/20/23/98/220202398.db2.gz ORZVFURPPANZTL-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCNC[C@@H]2C)CC1 ZINC000333136237 296243534 /nfs/dbraw/zinc/24/35/34/296243534.db2.gz CIZUMIFDZNCTLO-GJZGRUSLSA-N 1 3 331.464 1.610 20 0 EDADHO COc1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261629660 139212794 /nfs/dbraw/zinc/21/27/94/139212794.db2.gz HEXPPOHRRBHZCC-AEFFLSMTSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670805 139216132 /nfs/dbraw/zinc/21/61/32/139216132.db2.gz BUUQEXIKGFMCFQ-RDJZCZTQSA-N 1 3 331.460 1.664 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670805 139216133 /nfs/dbraw/zinc/21/61/33/139216133.db2.gz BUUQEXIKGFMCFQ-RDJZCZTQSA-N 1 3 331.460 1.664 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867648 139232634 /nfs/dbraw/zinc/23/26/34/139232634.db2.gz QGLITEJLAWVVMH-SFHVURJKSA-N 1 3 344.503 1.440 20 0 EDADHO C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000261872348 139232984 /nfs/dbraw/zinc/23/29/84/139232984.db2.gz SMSNKDWKDLNEDY-IEBWSBKVSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@@H]([NH3+])CC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000261886539 139234115 /nfs/dbraw/zinc/23/41/15/139234115.db2.gz VHVPYEVPXLDWOZ-QAPCUYQASA-N 1 3 333.476 1.628 20 0 EDADHO Cc1ncsc1CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261965782 139240552 /nfs/dbraw/zinc/24/05/52/139240552.db2.gz YILNQKRRCDACQB-GJZGRUSLSA-N 1 3 336.505 1.574 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829698 251112893 /nfs/dbraw/zinc/11/28/93/251112893.db2.gz FXGRQESWTAKKCK-QZTJIDSGSA-N 1 3 332.492 1.930 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417089890 251141270 /nfs/dbraw/zinc/14/12/70/251141270.db2.gz SGWMYQDQAVFFEU-IPMKNSEASA-N 1 3 342.487 1.902 20 0 EDADHO C[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)C1C[NH2+]C1 ZINC000262325623 139270423 /nfs/dbraw/zinc/27/04/23/139270423.db2.gz FZVGACWSTZZQMW-AWEZNQCLSA-N 1 3 331.460 1.115 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000417024240 251138854 /nfs/dbraw/zinc/13/88/54/251138854.db2.gz WYPHLHHAHPZQEM-INIZCTEOSA-N 1 3 338.496 1.115 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573698 251192544 /nfs/dbraw/zinc/19/25/44/251192544.db2.gz XPIIASUQSRYBMT-WMLDXEAASA-N 1 3 334.464 1.616 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594638 251202510 /nfs/dbraw/zinc/20/25/10/251202510.db2.gz WOIBDSKUOVBTID-APWZRJJASA-N 1 3 348.491 1.575 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827800 251285602 /nfs/dbraw/zinc/28/56/02/251285602.db2.gz OCVBUXMWQHURJW-GDBMZVCRSA-N 1 3 328.526 1.631 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417813866 251281288 /nfs/dbraw/zinc/28/12/88/251281288.db2.gz AJSLJRHADIHZQR-PBHICJAKSA-N 1 3 339.443 1.494 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000417991804 251319687 /nfs/dbraw/zinc/31/96/87/251319687.db2.gz LQCLHCHXZJGTQT-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO CCCN(C(=O)NCCCN1CCCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000418121348 251333277 /nfs/dbraw/zinc/33/32/77/251333277.db2.gz WQFIPORCAJKTEL-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2)C1 ZINC000418424342 251367399 /nfs/dbraw/zinc/36/73/99/251367399.db2.gz GWGLFKMYRIKAKC-MSOLQXFVSA-N 1 3 348.491 1.829 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262629315 139291328 /nfs/dbraw/zinc/29/13/28/139291328.db2.gz DBOATRPQFGGDJS-RTBURBONSA-N 1 3 344.503 1.568 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653207 139293368 /nfs/dbraw/zinc/29/33/68/139293368.db2.gz SNNFXLOEGQXOBH-ARFHVFGLSA-N 1 3 344.459 1.450 20 0 EDADHO CCC[C@@](C)(N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701070 139297395 /nfs/dbraw/zinc/29/73/95/139297395.db2.gz IEGHNSAZGSZISW-HNAYVOBHSA-N 1 3 346.475 1.840 20 0 EDADHO CCC[C@@](C)(N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701070 139297396 /nfs/dbraw/zinc/29/73/96/139297396.db2.gz IEGHNSAZGSZISW-HNAYVOBHSA-N 1 3 346.475 1.840 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262832000 139306659 /nfs/dbraw/zinc/30/66/59/139306659.db2.gz VISKZZLECSJQCZ-HNNXBMFYSA-N 1 3 346.475 1.256 20 0 EDADHO CN1CCN(C(=O)c2ccc(CN[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422881014 252010158 /nfs/dbraw/zinc/01/01/58/252010158.db2.gz MZVBYTRGVYWARV-ROUUACIJSA-N 1 3 330.476 1.291 20 0 EDADHO Cc1ccc(C[C@H](CO)N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423170022 252040914 /nfs/dbraw/zinc/04/09/14/252040914.db2.gz XDABOXOGQSUOMK-FUMNGEBKSA-N 1 3 332.488 1.954 20 0 EDADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)C2)c1 ZINC000422908650 252018116 /nfs/dbraw/zinc/01/81/16/252018116.db2.gz YXBONBSXNQPBAR-QGWWYQLQSA-N 1 3 333.476 1.863 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000422907756 252018629 /nfs/dbraw/zinc/01/86/29/252018629.db2.gz XJRYZJMXONZFRL-WDSOQIARSA-N 1 3 349.544 1.742 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000424005352 252112781 /nfs/dbraw/zinc/11/27/81/252112781.db2.gz STCAIBFWMAQPNW-WMZOPIPTSA-N 1 3 344.503 1.885 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)C2)nn1 ZINC000424013937 252114244 /nfs/dbraw/zinc/11/42/44/252114244.db2.gz LBWKHFILTZAFOM-HZPDHXFCSA-N 1 3 334.468 1.198 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]1CN1CCCCC1 ZINC000424129710 252133601 /nfs/dbraw/zinc/13/36/01/252133601.db2.gz GNPIIYSWCBCDRB-HZPDHXFCSA-N 1 3 346.479 1.293 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)CNC(=O)[C@@H](N)C(C)C)c1 ZINC000262949349 139314726 /nfs/dbraw/zinc/31/47/26/139314726.db2.gz BMNWISPYBYRTQK-SFHVURJKSA-N 1 3 348.491 1.244 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000458370427 285034567 /nfs/dbraw/zinc/03/45/67/285034567.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000458370427 285034569 /nfs/dbraw/zinc/03/45/69/285034569.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 1 3 338.496 1.225 20 0 EDADHO COCCN1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422892916 285060706 /nfs/dbraw/zinc/06/07/06/285060706.db2.gz ZSUKGDADJBRZDD-WDYCEAGBSA-N 1 3 331.460 1.553 20 0 EDADHO O=C1NC2(CCCCC2)C(=O)N1CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371109285 296363299 /nfs/dbraw/zinc/36/32/99/296363299.db2.gz VBIUJCTVUZEXAN-CVEARBPZSA-N 1 3 348.491 1.848 20 0 EDADHO O=C1NC2(CCCCC2)C(=O)N1CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371109285 296363301 /nfs/dbraw/zinc/36/33/01/296363301.db2.gz VBIUJCTVUZEXAN-CVEARBPZSA-N 1 3 348.491 1.848 20 0 EDADHO C[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)CN2)(N2CCCCC2)CC1 ZINC000263288498 139333556 /nfs/dbraw/zinc/33/35/56/139333556.db2.gz VKFVYTZPBSGLDJ-CQSZACIVSA-N 1 3 344.450 1.050 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000570283513 306535773 /nfs/dbraw/zinc/53/57/73/306535773.db2.gz VQHGREQEEUSBAH-UHFFFAOYSA-N 1 3 330.436 1.639 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000415758436 304266769 /nfs/dbraw/zinc/26/67/69/304266769.db2.gz OWWWCYFLSAVVSO-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000345594073 285248654 /nfs/dbraw/zinc/24/86/54/285248654.db2.gz LUFSJXKFCZWADS-YESZJQIVSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000345594073 285248657 /nfs/dbraw/zinc/24/86/57/285248657.db2.gz LUFSJXKFCZWADS-YESZJQIVSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039007 285282461 /nfs/dbraw/zinc/28/24/61/285282461.db2.gz WLJFGLXNKIQOAI-KRWDZBQOSA-N 1 3 336.528 1.881 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039007 285282463 /nfs/dbraw/zinc/28/24/63/285282463.db2.gz WLJFGLXNKIQOAI-KRWDZBQOSA-N 1 3 336.528 1.881 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289126 285314005 /nfs/dbraw/zinc/31/40/05/285314005.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289126 285314010 /nfs/dbraw/zinc/31/40/10/285314010.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977838 285322199 /nfs/dbraw/zinc/32/21/99/285322199.db2.gz YWKULIUHJOWHFE-MRXNPFEDSA-N 1 3 347.507 1.801 20 0 EDADHO [NH3+][C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000333426355 141316348 /nfs/dbraw/zinc/31/63/48/141316348.db2.gz TZJZOXGQTLLLJP-OAHLLOKOSA-N 1 3 340.537 1.871 20 0 EDADHO FC(F)(F)[C@H]1C[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641883 141349203 /nfs/dbraw/zinc/34/92/03/141349203.db2.gz XKFQHDLGNSVDJV-GHMZBOCLSA-N 1 3 333.358 1.471 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]2N)cn1 ZINC000333656201 141351464 /nfs/dbraw/zinc/35/14/64/141351464.db2.gz ZWPFNCFJEVEZNM-LSDHHAIUSA-N 1 3 348.495 1.165 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719707 141365138 /nfs/dbraw/zinc/36/51/38/141365138.db2.gz UJEXARBZXBKBCO-OAHLLOKOSA-N 1 3 336.480 1.191 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339742853 142141119 /nfs/dbraw/zinc/14/11/19/142141119.db2.gz LMSKEQOZUJAVQP-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339742853 142141121 /nfs/dbraw/zinc/14/11/21/142141121.db2.gz LMSKEQOZUJAVQP-OAHLLOKOSA-N 1 3 348.491 1.211 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000345714704 143124730 /nfs/dbraw/zinc/12/47/30/143124730.db2.gz BNKBQNMDOCZNRB-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C1 ZINC000346661139 143228048 /nfs/dbraw/zinc/22/80/48/143228048.db2.gz ONIYUFSCACYJNW-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000347875478 143373403 /nfs/dbraw/zinc/37/34/03/143373403.db2.gz MCGBSNDFJDFINB-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000369748807 155160035 /nfs/dbraw/zinc/16/00/35/155160035.db2.gz NZMBXZYPRVVWKZ-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000352866530 149195293 /nfs/dbraw/zinc/19/52/93/149195293.db2.gz MIORGCMLWXTRDK-LJQANCHMSA-N 1 3 345.487 1.859 20 0 EDADHO Cn1c2ccc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2oc1=O ZINC000353327458 149366548 /nfs/dbraw/zinc/36/65/48/149366548.db2.gz CNKFDYNLNKFMQV-UHFFFAOYSA-N 1 3 332.448 1.247 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416966240 304356837 /nfs/dbraw/zinc/35/68/37/304356837.db2.gz FIDNJZZWZWHZKM-UHFFFAOYSA-N 1 3 334.464 1.568 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416969984 304357199 /nfs/dbraw/zinc/35/71/99/304357199.db2.gz MJDYIBIBSUSRPP-KRWDZBQOSA-N 1 3 348.491 1.897 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000416969876 304357484 /nfs/dbraw/zinc/35/74/84/304357484.db2.gz LRRGXATXLLWWKV-INIZCTEOSA-N 1 3 334.464 1.426 20 0 EDADHO [NH3+][C@H](CNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000416968245 304357152 /nfs/dbraw/zinc/35/71/52/304357152.db2.gz ACGLURXBYJVQLD-GOSISDBHSA-N 1 3 330.476 1.730 20 0 EDADHO C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1[NH+](C)C ZINC000355056891 150095516 /nfs/dbraw/zinc/09/55/16/150095516.db2.gz MXFGIHNEDCNMBZ-BPQIPLTHSA-N 1 3 332.492 1.287 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000416980627 304360715 /nfs/dbraw/zinc/36/07/15/304360715.db2.gz YZNFUSOQVHXZTC-SJORKVTESA-N 1 3 346.475 1.663 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417027667 304362015 /nfs/dbraw/zinc/36/20/15/304362015.db2.gz UFSXLLSNCLLIRW-MSOLQXFVSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417044675 304365873 /nfs/dbraw/zinc/36/58/73/304365873.db2.gz NIJFGWICQILFGV-ZIAGYGMSSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417044675 304365876 /nfs/dbraw/zinc/36/58/76/304365876.db2.gz NIJFGWICQILFGV-ZIAGYGMSSA-N 1 3 332.439 1.937 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C)cc1 ZINC000357597392 151080068 /nfs/dbraw/zinc/08/00/68/151080068.db2.gz QMIRJBRTWFBVOX-CQSZACIVSA-N 1 3 334.464 1.533 20 0 EDADHO CCOCCOC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000357878137 151181953 /nfs/dbraw/zinc/18/19/53/151181953.db2.gz OOCJHFPAPHILPN-GOSISDBHSA-N 1 3 328.497 1.787 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357972941 151216844 /nfs/dbraw/zinc/21/68/44/151216844.db2.gz KQEUFOCOCDBVCF-GDBMZVCRSA-N 1 3 330.542 1.843 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000357972941 151216847 /nfs/dbraw/zinc/21/68/47/151216847.db2.gz KQEUFOCOCDBVCF-GDBMZVCRSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000358049398 151247860 /nfs/dbraw/zinc/24/78/60/151247860.db2.gz RSAFAZAGGHLQHR-HNAYVOBHSA-N 1 3 344.503 1.550 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000358281946 151325259 /nfs/dbraw/zinc/32/52/59/151325259.db2.gz WWYIKYBJXMZLQZ-CQSZACIVSA-N 1 3 334.464 1.906 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358445023 151378780 /nfs/dbraw/zinc/37/87/80/151378780.db2.gz KIURJHTWKNDNJB-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670663 152146537 /nfs/dbraw/zinc/14/65/37/152146537.db2.gz YLMAOGXBNQYCLE-YOEHRIQHSA-N 1 3 340.537 1.740 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670663 152146538 /nfs/dbraw/zinc/14/65/38/152146538.db2.gz YLMAOGXBNQYCLE-YOEHRIQHSA-N 1 3 340.537 1.740 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000370157735 155353206 /nfs/dbraw/zinc/35/32/06/155353206.db2.gz CEBZYFRHCPKESQ-LPHOPBHVSA-N 1 3 342.487 1.653 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417182796 304381429 /nfs/dbraw/zinc/38/14/29/304381429.db2.gz JKDXUIFQZJZHSF-ZWKOTPCHSA-N 1 3 332.492 1.930 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196322 153170411 /nfs/dbraw/zinc/17/04/11/153170411.db2.gz QHODXNIIAHLGOB-PKOBYXMFSA-N 1 3 331.460 1.971 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234160 304386684 /nfs/dbraw/zinc/38/66/84/304386684.db2.gz UMHRIRFMQRCYJF-IAGOWNOFSA-N 1 3 334.464 1.266 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000417392206 304396145 /nfs/dbraw/zinc/39/61/45/304396145.db2.gz BBCZBFVNARNKQL-HNNXBMFYSA-N 1 3 340.418 1.935 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000417392206 304396147 /nfs/dbraw/zinc/39/61/47/304396147.db2.gz BBCZBFVNARNKQL-HNNXBMFYSA-N 1 3 340.418 1.935 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)CN1 ZINC000417486708 304399781 /nfs/dbraw/zinc/39/97/81/304399781.db2.gz YYEYELSBLJHEPZ-HZPDHXFCSA-N 1 3 348.491 1.909 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336150 /nfs/dbraw/zinc/33/61/50/292336150.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 1 3 338.496 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336152 /nfs/dbraw/zinc/33/61/52/292336152.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 1 3 338.496 1.080 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000371968754 156189336 /nfs/dbraw/zinc/18/93/36/156189336.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 1 3 338.496 1.127 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000371968754 156189339 /nfs/dbraw/zinc/18/93/39/156189339.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 1 3 338.496 1.127 20 0 EDADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1 ZINC000417531870 304403938 /nfs/dbraw/zinc/40/39/38/304403938.db2.gz VDDHYMYGEZBMIQ-CVEARBPZSA-N 1 3 348.491 1.561 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123574 158084922 /nfs/dbraw/zinc/08/49/22/158084922.db2.gz ZLVZADDVLKMCIW-AEFFLSMTSA-N 1 3 347.507 1.828 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123574 158084924 /nfs/dbraw/zinc/08/49/24/158084924.db2.gz ZLVZADDVLKMCIW-AEFFLSMTSA-N 1 3 347.507 1.828 20 0 EDADHO CN1CCN(C2(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCCCC2)CC1 ZINC000378203882 158107399 /nfs/dbraw/zinc/10/73/99/158107399.db2.gz SUCUOAIQYISRKF-DLBZAZTESA-N 1 3 336.524 1.570 20 0 EDADHO CN1CCN(C2(CNC(=O)[C@@H]3CCCC[NH2+]3)CCCCCC2)CC1 ZINC000378205259 158108620 /nfs/dbraw/zinc/10/86/20/158108620.db2.gz ZXICHHDPATWVOA-KRWDZBQOSA-N 1 3 336.524 1.585 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000378211073 158111001 /nfs/dbraw/zinc/11/10/01/158111001.db2.gz ZDOLLILBZVPPGX-KRWDZBQOSA-N 1 3 335.496 1.814 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000378211074 158111482 /nfs/dbraw/zinc/11/14/82/158111482.db2.gz ZDOLLILBZVPPGX-QGZVFWFLSA-N 1 3 335.496 1.814 20 0 EDADHO CO[C@]1(C)CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000366454789 162384584 /nfs/dbraw/zinc/38/45/84/162384584.db2.gz KDNDBCUQPOYWDM-GOSISDBHSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000179853687 287085634 /nfs/dbraw/zinc/08/56/34/287085634.db2.gz ISVHQKRNOIUARZ-QAPCUYQASA-N 1 3 333.476 1.280 20 0 EDADHO CC[C@H](CCO)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000123075906 222210305 /nfs/dbraw/zinc/21/03/05/222210305.db2.gz OMTUQPHJSYJLMX-OAHLLOKOSA-N 1 3 340.512 1.253 20 0 EDADHO Cc1ccc(NC(=O)/C=C/CN(C)C)cc1NC(=O)CC[NH+](C)C ZINC000274394715 268134163 /nfs/dbraw/zinc/13/41/63/268134163.db2.gz JDMARQCILZLUJW-VOTSOKGWSA-N 1 3 332.448 1.942 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681477 268183221 /nfs/dbraw/zinc/18/32/21/268183221.db2.gz XAEBTVOJBNGVRG-SFHVURJKSA-N 1 3 345.487 1.908 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000275558926 268360479 /nfs/dbraw/zinc/36/04/79/268360479.db2.gz AQPOFBMMWUUTKJ-QGZVFWFLSA-N 1 3 332.492 1.943 20 0 EDADHO CN1CC=C(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275843735 268377376 /nfs/dbraw/zinc/37/73/76/268377376.db2.gz MSPDOMFVQOHBSU-UHFFFAOYSA-N 1 3 344.459 1.107 20 0 EDADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000275809419 273129764 /nfs/dbraw/zinc/12/97/64/273129764.db2.gz DXBMKBDLKPHDQY-SFHVURJKSA-N 1 3 343.475 1.764 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)Nc1ccccc1 ZINC000155084208 287654966 /nfs/dbraw/zinc/65/49/66/287654966.db2.gz PZPGELRSCDRDCY-UHFFFAOYSA-N 1 3 349.479 1.150 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2[nH]ncc2C)CC1 ZINC000356311930 276096829 /nfs/dbraw/zinc/09/68/29/276096829.db2.gz WVGRAIOITMZNIK-UHFFFAOYSA-N 1 3 335.496 1.778 20 0 EDADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CCN1 ZINC000333370216 278301076 /nfs/dbraw/zinc/30/10/76/278301076.db2.gz MIGSWNZDYIRZDJ-HZPDHXFCSA-N 1 3 338.496 1.148 20 0 EDADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422839970 278357545 /nfs/dbraw/zinc/35/75/45/278357545.db2.gz RPZSBIWTTOMIOL-IRXDYDNUSA-N 1 3 338.540 1.720 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376256635 279142940 /nfs/dbraw/zinc/14/29/40/279142940.db2.gz GHSDXYUGDCORLK-HNNXBMFYSA-N 1 3 328.501 1.205 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000262284741 288151853 /nfs/dbraw/zinc/15/18/53/288151853.db2.gz LYHCRDQTHQJEME-ATLSCFEFSA-N 1 3 337.508 1.852 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097520 /nfs/dbraw/zinc/09/75/20/280097520.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 1 3 340.512 1.212 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097524 /nfs/dbraw/zinc/09/75/24/280097524.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 1 3 340.512 1.212 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000288042742 288389017 /nfs/dbraw/zinc/38/90/17/288389017.db2.gz MLYLTLGOWRSQHX-KBAYOESNSA-N 1 3 330.476 1.995 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290043494 288827512 /nfs/dbraw/zinc/82/75/12/288827512.db2.gz GRUGYPQFEYDYBQ-ROUUACIJSA-N 1 3 342.487 1.267 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000290245001 288865150 /nfs/dbraw/zinc/86/51/50/288865150.db2.gz VUJQZSDIFJVBID-RBUKOAKNSA-N 1 3 345.487 1.648 20 0 EDADHO Cc1ccoc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000291877544 289203815 /nfs/dbraw/zinc/20/38/15/289203815.db2.gz ODQNDYSGWWGMBL-UHFFFAOYSA-N 1 3 334.464 1.946 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000377124496 295250814 /nfs/dbraw/zinc/25/08/14/295250814.db2.gz FQGNGUOULCFZTG-DOTOQJQBSA-N 1 3 333.480 1.616 20 0 EDADHO C[C@@H]1COCCN1CCN(C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123476 /nfs/dbraw/zinc/12/34/76/297123476.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1COCCN1CCN(C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000337183779 297123477 /nfs/dbraw/zinc/12/34/77/297123477.db2.gz BXQQUMXHUYTHFQ-NZSAHSFTSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000347957285 297268661 /nfs/dbraw/zinc/26/86/61/297268661.db2.gz CUYPLKHUETVRQE-ILXRZTDVSA-N 1 3 340.512 1.068 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418630034 304521349 /nfs/dbraw/zinc/52/13/49/304521349.db2.gz DSUTZVQTIFKIGD-FUHWJXTLSA-N 1 3 330.476 1.999 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418630378 304521392 /nfs/dbraw/zinc/52/13/92/304521392.db2.gz FLRVQAXPLWSEEC-SFHVURJKSA-N 1 3 330.476 1.857 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418645239 304524371 /nfs/dbraw/zinc/52/43/71/304524371.db2.gz CZAJWAUOOGFKPZ-GOSISDBHSA-N 1 3 348.491 1.788 20 0 EDADHO C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564590 300316019 /nfs/dbraw/zinc/31/60/19/300316019.db2.gz SVPLBUKYORFVKB-GOEBONIOSA-N 1 3 337.489 1.605 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419655650 447323615 /nfs/dbraw/zinc/32/36/15/447323615.db2.gz UECGUJAMRSNASK-OFQRWUPVSA-N 1 3 346.475 1.038 20 0 EDADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CC[NH3+] ZINC000295677430 303251327 /nfs/dbraw/zinc/25/13/27/303251327.db2.gz KRPFZYOCTSXSMV-INIZCTEOSA-N 1 3 327.432 1.926 20 0 EDADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCCN1CC[NH2+]CC1 ZINC000414863865 447332879 /nfs/dbraw/zinc/33/28/79/447332879.db2.gz JKGNKUYVAQPIFH-UHFFFAOYSA-N 1 3 349.429 1.762 20 0 EDADHO CC(C)(CC[NH3+])NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000422601748 304873827 /nfs/dbraw/zinc/87/38/27/304873827.db2.gz YMMDXNZIDFPNIF-UHFFFAOYSA-N 1 3 348.491 1.570 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000422920304 304880337 /nfs/dbraw/zinc/88/03/37/304880337.db2.gz MFUUERJGRZFXQO-BSDSXHPESA-N 1 3 331.460 1.487 20 0 EDADHO O=C(c1ccccc1)N1C[C@H](CN[C@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997969 304882709 /nfs/dbraw/zinc/88/27/09/304882709.db2.gz VUJMAFPESUACJE-FHWLQOOXSA-N 1 3 342.487 1.317 20 0 EDADHO O=C(COC1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000423331442 304892712 /nfs/dbraw/zinc/89/27/12/304892712.db2.gz OJQHTZFXLLUWCI-GOSISDBHSA-N 1 3 331.460 1.708 20 0 EDADHO COC1(C[NH2+]C2CCN(C3CCN(C)CC3)CC2)CCOCC1 ZINC000428855991 305019204 /nfs/dbraw/zinc/01/92/04/305019204.db2.gz KUMXLLYWYUMXFL-UHFFFAOYSA-N 1 3 325.497 1.330 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429541883 305031673 /nfs/dbraw/zinc/03/16/73/305031673.db2.gz PPOZUTRLJGEUDS-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000429541883 305031674 /nfs/dbraw/zinc/03/16/74/305031674.db2.gz PPOZUTRLJGEUDS-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647724 305061306 /nfs/dbraw/zinc/06/13/06/305061306.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 1 3 345.491 1.322 20 0 EDADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430647724 305061307 /nfs/dbraw/zinc/06/13/07/305061307.db2.gz QLGFQXIBRVCXIF-SJORKVTESA-N 1 3 345.491 1.322 20 0 EDADHO O=C(COC1CNC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430700317 305062784 /nfs/dbraw/zinc/06/27/84/305062784.db2.gz RPZFKSVFHWOAGW-HXUWFJFHSA-N 1 3 343.471 1.490 20 0 EDADHO O=C(COC1CNC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000430700317 305062785 /nfs/dbraw/zinc/06/27/85/305062785.db2.gz RPZFKSVFHWOAGW-HXUWFJFHSA-N 1 3 343.471 1.490 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2CCC3(CC[NH2+]C3)CC2)c1C ZINC000430927328 305068635 /nfs/dbraw/zinc/06/86/35/305068635.db2.gz IGAXETSEJLEDJI-UHFFFAOYSA-N 1 3 334.464 1.639 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000433157364 305101845 /nfs/dbraw/zinc/10/18/45/305101845.db2.gz FXESTSTTYYUSBU-LJQANCHMSA-N 1 3 346.519 1.936 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316716 305105585 /nfs/dbraw/zinc/10/55/85/305105585.db2.gz BCQMDTOFDPTSOZ-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384666 305107213 /nfs/dbraw/zinc/10/72/13/305107213.db2.gz DSLPOTCESUKHFD-BRWVUGGUSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1CN1CCCCC1 ZINC000433388290 305107553 /nfs/dbraw/zinc/10/75/53/305107553.db2.gz UFWBCFSZLXOKFC-JKSUJKDBSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413855 305108473 /nfs/dbraw/zinc/10/84/73/305108473.db2.gz VHAYUXADLPCSEO-BZUAXINKSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413855 305108474 /nfs/dbraw/zinc/10/84/74/305108474.db2.gz VHAYUXADLPCSEO-BZUAXINKSA-N 1 3 338.496 1.412 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414898433 447349155 /nfs/dbraw/zinc/34/91/55/447349155.db2.gz AECSDEHMCCEUMP-GOEBONIOSA-N 1 3 339.480 1.298 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446293399 305262817 /nfs/dbraw/zinc/26/28/17/305262817.db2.gz XMVUJFKQFVTOLI-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449147644 305308010 /nfs/dbraw/zinc/30/80/10/305308010.db2.gz HPEHYXBQVRIJGO-UHFFFAOYSA-N 1 3 331.460 1.913 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000449339015 305311797 /nfs/dbraw/zinc/31/17/97/305311797.db2.gz IJFLKKMIQZVDLH-RDTXWAMCSA-N 1 3 331.460 1.685 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000449342875 305312116 /nfs/dbraw/zinc/31/21/16/305312116.db2.gz FXKFYWYAOOSOON-KBAYOESNSA-N 1 3 333.476 1.668 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000471651731 305537870 /nfs/dbraw/zinc/53/78/70/305537870.db2.gz ACPJPDLVRFGOOK-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414911041 447353042 /nfs/dbraw/zinc/35/30/42/447353042.db2.gz SLTHUGFBMUCASL-CQSZACIVSA-N 1 3 344.459 1.419 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414911041 447353048 /nfs/dbraw/zinc/35/30/48/447353048.db2.gz SLTHUGFBMUCASL-CQSZACIVSA-N 1 3 344.459 1.419 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000515619435 305725364 /nfs/dbraw/zinc/72/53/64/305725364.db2.gz IZRYTHPDFIDZHE-WMLDXEAASA-N 1 3 330.476 1.512 20 0 EDADHO CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000516254401 305735207 /nfs/dbraw/zinc/73/52/07/305735207.db2.gz BHCWWCYUBOLUJD-UHFFFAOYSA-N 1 3 340.493 1.358 20 0 EDADHO CN(c1ccccc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CCN(C)CC1 ZINC000516713399 305740085 /nfs/dbraw/zinc/74/00/85/305740085.db2.gz NUPZXZJRSQLGJH-DOTOQJQBSA-N 1 3 344.503 1.961 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000414935601 447363523 /nfs/dbraw/zinc/36/35/23/447363523.db2.gz BBZQRGNMKKPLSI-CZUORRHYSA-N 1 3 332.448 1.189 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H](N(C)C)[C@@H](C)C1 ZINC000414944487 447367039 /nfs/dbraw/zinc/36/70/39/447367039.db2.gz OEXCJCDBFWNQGT-BBRMVZONSA-N 1 3 332.448 1.143 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000535726453 306015151 /nfs/dbraw/zinc/01/51/51/306015151.db2.gz BKZVQAGEICKFOV-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000535834527 306018017 /nfs/dbraw/zinc/01/80/17/306018017.db2.gz GGENMPLERFKBGB-SJORKVTESA-N 1 3 327.513 1.706 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000541519343 306046436 /nfs/dbraw/zinc/04/64/36/306046436.db2.gz LROVSLLPCVCPMK-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CN(CCC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccncc1 ZINC000542784854 306058388 /nfs/dbraw/zinc/05/83/88/306058388.db2.gz WBXVGEJMUCKBTK-UHFFFAOYSA-N 1 3 334.464 1.213 20 0 EDADHO CN(CCC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccncc1 ZINC000542784854 306058389 /nfs/dbraw/zinc/05/83/89/306058389.db2.gz WBXVGEJMUCKBTK-UHFFFAOYSA-N 1 3 334.464 1.213 20 0 EDADHO CN1CC=C(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100778 306155726 /nfs/dbraw/zinc/15/57/26/306155726.db2.gz DPWAFTVIRAOSHS-KRWDZBQOSA-N 1 3 335.473 1.563 20 0 EDADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000551739251 306160902 /nfs/dbraw/zinc/16/09/02/306160902.db2.gz YUMFITBMTVLBQG-RBUKOAKNSA-N 1 3 347.503 1.718 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000665236128 453619207 /nfs/dbraw/zinc/61/92/07/453619207.db2.gz HZYXRKALPUXGDI-VXGBXAGGSA-N 1 3 341.253 1.433 20 0 EDADHO CN1CCNC[C@@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414978807 447383129 /nfs/dbraw/zinc/38/31/29/447383129.db2.gz SMXSAXZOFNHUQO-LJQANCHMSA-N 1 3 334.483 1.326 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661198740 453754925 /nfs/dbraw/zinc/75/49/25/453754925.db2.gz UJGZQRDVDFMFLJ-HOCLYGCPSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661198740 453754926 /nfs/dbraw/zinc/75/49/26/453754926.db2.gz UJGZQRDVDFMFLJ-HOCLYGCPSA-N 1 3 326.485 1.268 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297850 /nfs/dbraw/zinc/29/78/50/441297850.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297852 /nfs/dbraw/zinc/29/78/52/441297852.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000073881132 441365506 /nfs/dbraw/zinc/36/55/06/441365506.db2.gz OTCLLBJFWDSTGC-SJORKVTESA-N 1 3 341.544 1.290 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074181557 441404224 /nfs/dbraw/zinc/40/42/24/441404224.db2.gz JRBOTFWAGLJVCF-KRWDZBQOSA-N 1 3 347.507 1.783 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074181557 441404225 /nfs/dbraw/zinc/40/42/25/441404225.db2.gz JRBOTFWAGLJVCF-KRWDZBQOSA-N 1 3 347.507 1.783 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108561228 441464667 /nfs/dbraw/zinc/46/46/67/441464667.db2.gz XVVIKWDMFNJAAQ-OALUTQOASA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561228 441464671 /nfs/dbraw/zinc/46/46/71/441464671.db2.gz XVVIKWDMFNJAAQ-OALUTQOASA-N 1 3 344.503 1.943 20 0 EDADHO CC[C@@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)N(C)C ZINC000089344727 441539255 /nfs/dbraw/zinc/53/92/55/441539255.db2.gz SXSVJKYUVIMHOA-INIZCTEOSA-N 1 3 325.497 1.602 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)c1 ZINC000173946053 441866530 /nfs/dbraw/zinc/86/65/30/441866530.db2.gz OZKDHQFJAZXFKP-SFHVURJKSA-N 1 3 328.460 1.904 20 0 EDADHO COCCN(CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093005935 441849057 /nfs/dbraw/zinc/84/90/57/441849057.db2.gz SYVXYEZQKZXRRY-UHFFFAOYSA-N 1 3 335.492 1.658 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCCN1CCN(C)CC1 ZINC000174723863 441958760 /nfs/dbraw/zinc/95/87/60/441958760.db2.gz GPSWJMFDHRHWPM-HNNXBMFYSA-N 1 3 336.455 1.722 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174723863 441958767 /nfs/dbraw/zinc/95/87/67/441958767.db2.gz GPSWJMFDHRHWPM-HNNXBMFYSA-N 1 3 336.455 1.722 20 0 EDADHO CN(CCCN1CCN(C)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174720360 441959524 /nfs/dbraw/zinc/95/95/24/441959524.db2.gz UTCZYPNHSWIINV-SFHVURJKSA-N 1 3 348.466 1.500 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000174720360 441959528 /nfs/dbraw/zinc/95/95/28/441959528.db2.gz UTCZYPNHSWIINV-SFHVURJKSA-N 1 3 348.466 1.500 20 0 EDADHO CC[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000163472948 442168789 /nfs/dbraw/zinc/16/87/89/442168789.db2.gz NCLRJQPWSSOORQ-IBGZPJMESA-N 1 3 346.519 1.603 20 0 EDADHO CC[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000163472948 442168793 /nfs/dbraw/zinc/16/87/93/442168793.db2.gz NCLRJQPWSSOORQ-IBGZPJMESA-N 1 3 346.519 1.603 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCSCC3)CC2)CC1 ZINC000127478486 442206423 /nfs/dbraw/zinc/20/64/23/442206423.db2.gz IUNJBLMYOPTIJX-UHFFFAOYSA-N 1 3 326.510 1.303 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000167231525 442219459 /nfs/dbraw/zinc/21/94/59/442219459.db2.gz HMDKPNOOWAXQRX-GOSISDBHSA-N 1 3 349.475 1.402 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000171202680 442327733 /nfs/dbraw/zinc/32/77/33/442327733.db2.gz AUSXSEPMEQIODY-QGZVFWFLSA-N 1 3 336.480 1.475 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000177485467 442347842 /nfs/dbraw/zinc/34/78/42/442347842.db2.gz XOTVPEBWWBQWMM-CALCHBBNSA-N 1 3 337.508 1.820 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874586 442510413 /nfs/dbraw/zinc/51/04/13/442510413.db2.gz FFGVONJAYNCHDP-FUHWJXTLSA-N 1 3 332.492 1.337 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178856783 442505266 /nfs/dbraw/zinc/50/52/66/442505266.db2.gz MMXXWZMZIHOXGR-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC1=CC[NH2+]CC1 ZINC000186310765 442509111 /nfs/dbraw/zinc/50/91/11/442509111.db2.gz ASAAZBANSYNEJJ-UHFFFAOYSA-N 1 3 328.460 1.235 20 0 EDADHO COC(=O)C1CCN(CCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000157317663 442571758 /nfs/dbraw/zinc/57/17/58/442571758.db2.gz DISVMIJRNMAEGB-UHFFFAOYSA-N 1 3 340.464 1.537 20 0 EDADHO CN(C[C@H]1CCCOC1)CC1(C[N@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157898 442740933 /nfs/dbraw/zinc/74/09/33/442740933.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 1 3 340.508 1.720 20 0 EDADHO CN(C[C@H]1CCCOC1)CC1(C[N@@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157898 442740934 /nfs/dbraw/zinc/74/09/34/442740934.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 1 3 340.508 1.720 20 0 EDADHO CN(C[C@@H]1CCCOC1)CC1(C[N@H+](C)C[C@H]2CCCOC2)COC1 ZINC000182157898 442740935 /nfs/dbraw/zinc/74/09/35/442740935.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 1 3 340.508 1.720 20 0 EDADHO CN(C[C@@H]1CCCOC1)CC1(C[N@@H+](C)C[C@H]2CCCOC2)COC1 ZINC000182157898 442740936 /nfs/dbraw/zinc/74/09/36/442740936.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 1 3 340.508 1.720 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182167368 442741816 /nfs/dbraw/zinc/74/18/16/442741816.db2.gz LMJGNIKASNQTDP-PBHICJAKSA-N 1 3 333.480 1.165 20 0 EDADHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188942075 442846383 /nfs/dbraw/zinc/84/63/83/442846383.db2.gz QTYAWCBIRPQEMB-UHFFFAOYSA-N 1 3 333.461 1.321 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000183084722 442875994 /nfs/dbraw/zinc/87/59/94/442875994.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000183084722 442875995 /nfs/dbraw/zinc/87/59/95/442875995.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000183382120 442926953 /nfs/dbraw/zinc/92/69/53/442926953.db2.gz SANQRXJMRSSEEP-UHFFFAOYSA-N 1 3 344.503 1.948 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000195039265 442978382 /nfs/dbraw/zinc/97/83/82/442978382.db2.gz LKGGYUBYFKTQAV-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCOC)CC2)C1 ZINC000195039265 442978384 /nfs/dbraw/zinc/97/83/84/442978384.db2.gz LKGGYUBYFKTQAV-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000268867872 443131574 /nfs/dbraw/zinc/13/15/74/443131574.db2.gz FSWCOBKRRJHRKY-SJLPKXTDSA-N 1 3 335.492 1.998 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC[N@@H+]1C ZINC000268815485 443116957 /nfs/dbraw/zinc/11/69/57/443116957.db2.gz MDBDVORYLXRKSK-APWZRJJASA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC[N@H+]1C ZINC000268815485 443116961 /nfs/dbraw/zinc/11/69/61/443116961.db2.gz MDBDVORYLXRKSK-APWZRJJASA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CCN1C ZINC000268815485 443116964 /nfs/dbraw/zinc/11/69/64/443116964.db2.gz MDBDVORYLXRKSK-APWZRJJASA-N 1 3 344.503 1.647 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268825409 443119281 /nfs/dbraw/zinc/11/92/81/443119281.db2.gz ITCMOOQMXFDPJK-MISYRCLQSA-N 1 3 331.504 1.943 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000236993883 443154771 /nfs/dbraw/zinc/15/47/71/443154771.db2.gz IELKAUUOTQZHOD-QGZVFWFLSA-N 1 3 344.503 1.900 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)CNC[C@@H]1CCCO1)Cc1ccccc1 ZINC000269223672 443238893 /nfs/dbraw/zinc/23/88/93/443238893.db2.gz BGULYBYSPCZDPU-OALUTQOASA-N 1 3 347.503 1.824 20 0 EDADHO CC[NH+]1CCC(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000397449426 319134613 /nfs/dbraw/zinc/13/46/13/319134613.db2.gz QJPLKGVLTFRGMW-OAHLLOKOSA-N 1 3 327.469 1.696 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000411555391 319184416 /nfs/dbraw/zinc/18/44/16/319184416.db2.gz GVMWAMSYDJVABL-IRXDYDNUSA-N 1 3 325.497 1.770 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@@H]2CNCCO2)cc1 ZINC000269255290 443253127 /nfs/dbraw/zinc/25/31/27/443253127.db2.gz JHJVBBAZMNVDKT-QGZVFWFLSA-N 1 3 335.448 1.012 20 0 EDADHO C[C@H](CCn1cccn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203383 319319714 /nfs/dbraw/zinc/31/97/14/319319714.db2.gz VHLBTABBGLQJPC-QGZVFWFLSA-N 1 3 335.496 1.048 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCSCC1 ZINC000414206249 319319980 /nfs/dbraw/zinc/31/99/80/319319980.db2.gz YBKQBHJJFKZMCY-INIZCTEOSA-N 1 3 341.565 1.904 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)[NH+](C)C ZINC000414677703 319340206 /nfs/dbraw/zinc/34/02/06/319340206.db2.gz JFPXJOBTJVFTSI-QGZVFWFLSA-N 1 3 346.475 1.363 20 0 EDADHO C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680649 319341067 /nfs/dbraw/zinc/34/10/67/319341067.db2.gz NJDSLUCJIIBGNW-MRXNPFEDSA-N 1 3 341.459 1.501 20 0 EDADHO C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680649 319341070 /nfs/dbraw/zinc/34/10/70/319341070.db2.gz NJDSLUCJIIBGNW-MRXNPFEDSA-N 1 3 341.459 1.501 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684289 319342407 /nfs/dbraw/zinc/34/24/07/319342407.db2.gz VFOYLWQMLQYHNH-QZTJIDSGSA-N 1 3 336.524 1.395 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)[C@@H]2CCc3ccccc32)C1 ZINC000414689948 319342657 /nfs/dbraw/zinc/34/26/57/319342657.db2.gz GZMDMTTXFVHDRY-CRAIPNDOSA-N 1 3 331.460 1.166 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)[C@@H]2CCc3ccccc32)C1 ZINC000414689948 319342659 /nfs/dbraw/zinc/34/26/59/319342659.db2.gz GZMDMTTXFVHDRY-CRAIPNDOSA-N 1 3 331.460 1.166 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415746513 319369515 /nfs/dbraw/zinc/36/95/15/319369515.db2.gz TUMOXWWBPVEIEO-SHTZXODSSA-N 1 3 346.475 1.568 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1CN(C)C ZINC000415808128 319371362 /nfs/dbraw/zinc/37/13/62/319371362.db2.gz SECNYUXUZAEZSL-MRXNPFEDSA-N 1 3 346.475 1.644 20 0 EDADHO C[C@@]1(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000269296910 443271780 /nfs/dbraw/zinc/27/17/80/443271780.db2.gz OLTAGCIMZGRHOM-HXUWFJFHSA-N 1 3 344.503 1.310 20 0 EDADHO COCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282374340 443320102 /nfs/dbraw/zinc/32/01/02/443320102.db2.gz OBVUNESMMRLABO-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324818 /nfs/dbraw/zinc/32/48/18/443324818.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324821 /nfs/dbraw/zinc/32/48/21/443324821.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)/C=C/C[NH+](C)C)cc21 ZINC000264604196 443343337 /nfs/dbraw/zinc/34/33/37/443343337.db2.gz FUITYCLPFCVKTA-AATRIKPKSA-N 1 3 332.404 1.212 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419125805 319558718 /nfs/dbraw/zinc/55/87/18/319558718.db2.gz USLJKCBIINSMOW-HUUCEWRRSA-N 1 3 326.485 1.001 20 0 EDADHO CC(C)C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)NCCN(C)C ZINC000423023860 319746744 /nfs/dbraw/zinc/74/67/44/319746744.db2.gz IHGLXEPAOQXVIW-KSZLIROESA-N 1 3 332.492 1.813 20 0 EDADHO Cc1ccc([C@H](CNC(=O)c2cn(CCCC[NH3+])nn2)N(C)C)cc1 ZINC000423340263 319765135 /nfs/dbraw/zinc/76/51/35/319765135.db2.gz JFXMSCBBBOEVDX-KRWDZBQOSA-N 1 3 344.463 1.358 20 0 EDADHO C[C@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272376609 443607084 /nfs/dbraw/zinc/60/70/84/443607084.db2.gz BJGXVFPGQYAJLM-PKOBYXMFSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H](NCCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376609 443607086 /nfs/dbraw/zinc/60/70/86/443607086.db2.gz BJGXVFPGQYAJLM-PKOBYXMFSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H](NCCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376609 443607088 /nfs/dbraw/zinc/60/70/88/443607088.db2.gz BJGXVFPGQYAJLM-PKOBYXMFSA-N 1 3 345.487 1.736 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571748 320036161 /nfs/dbraw/zinc/03/61/61/320036161.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438571748 320036163 /nfs/dbraw/zinc/03/61/63/320036163.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C)(F)C1 ZINC000458899040 320344173 /nfs/dbraw/zinc/34/41/73/320344173.db2.gz GAEJRMODTIXSGK-ISXOHVOVSA-N 1 3 328.476 1.935 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CC(C)(F)C1 ZINC000458899040 320344174 /nfs/dbraw/zinc/34/41/74/320344174.db2.gz GAEJRMODTIXSGK-ISXOHVOVSA-N 1 3 328.476 1.935 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471647499 320353148 /nfs/dbraw/zinc/35/31/48/320353148.db2.gz HGOSDCUEXNIGGG-IYBDPMFKSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471647499 320353149 /nfs/dbraw/zinc/35/31/49/320353149.db2.gz HGOSDCUEXNIGGG-IYBDPMFKSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361541 /nfs/dbraw/zinc/36/15/41/320361541.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 1 3 334.508 1.983 20 0 EDADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361542 /nfs/dbraw/zinc/36/15/42/320361542.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 1 3 334.508 1.983 20 0 EDADHO CC[NH+](CC)CC1CCN(CCc2cn(CC(=O)OC)nn2)CC1 ZINC000533000827 320681623 /nfs/dbraw/zinc/68/16/23/320681623.db2.gz IJORJPSXZHNCIE-UHFFFAOYSA-N 1 3 337.468 1.047 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000293201180 443950024 /nfs/dbraw/zinc/95/00/24/443950024.db2.gz LPVAAGPPWAPXNI-LJQANCHMSA-N 1 3 344.459 1.241 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000293201180 443950027 /nfs/dbraw/zinc/95/00/27/443950027.db2.gz LPVAAGPPWAPXNI-LJQANCHMSA-N 1 3 344.459 1.241 20 0 EDADHO CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000277531933 444002880 /nfs/dbraw/zinc/00/28/80/444002880.db2.gz SPXQDPIGRPTAJR-GOSISDBHSA-N 1 3 348.491 1.481 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293577768 444059736 /nfs/dbraw/zinc/05/97/36/444059736.db2.gz JMLGKQFEUDIBOM-UHFFFAOYSA-N 1 3 332.448 1.133 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186326 321035564 /nfs/dbraw/zinc/03/55/64/321035564.db2.gz QTDNXRKIHQLYKP-RDJZCZTQSA-N 1 3 330.476 1.948 20 0 EDADHO CCCOc1cc(C)ccc1CNC[C@H](O)CN1CCN(C)CC1 ZINC000562990351 321086162 /nfs/dbraw/zinc/08/61/62/321086162.db2.gz XKSWKNLJJCKNGD-SFHVURJKSA-N 1 3 335.492 1.482 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Nc2ccncc2)cc1 ZINC000566211373 321222434 /nfs/dbraw/zinc/22/24/34/321222434.db2.gz KLILHVKZRILLRF-OAHLLOKOSA-N 1 3 332.354 1.974 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000567475349 321243353 /nfs/dbraw/zinc/24/33/53/321243353.db2.gz HNNSZVKJYCXKJE-FUHWJXTLSA-N 1 3 333.476 1.392 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000289309596 444103442 /nfs/dbraw/zinc/10/34/42/444103442.db2.gz DWRJXXMBVGHGGV-SJLPKXTDSA-N 1 3 340.471 1.962 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000289309596 444103446 /nfs/dbraw/zinc/10/34/46/444103446.db2.gz DWRJXXMBVGHGGV-SJLPKXTDSA-N 1 3 340.471 1.962 20 0 EDADHO CN(CCC(=O)N(C)c1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000299726784 444126013 /nfs/dbraw/zinc/12/60/13/444126013.db2.gz VAQSFDMRORAVJX-UHFFFAOYSA-N 1 3 346.519 1.997 20 0 EDADHO CN(CCC(=O)N(C)c1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000299726784 444126022 /nfs/dbraw/zinc/12/60/22/444126022.db2.gz VAQSFDMRORAVJX-UHFFFAOYSA-N 1 3 346.519 1.997 20 0 EDADHO CN1CCN(CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000576228458 321548681 /nfs/dbraw/zinc/54/86/81/321548681.db2.gz RUPZZZZGQIRANZ-UHFFFAOYSA-N 1 3 336.524 1.252 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1CN(C)C ZINC000577205270 321632413 /nfs/dbraw/zinc/63/24/13/321632413.db2.gz SFUQKZQIJQUODO-AWEZNQCLSA-N 1 3 332.448 1.192 20 0 EDADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766060 444289550 /nfs/dbraw/zinc/28/95/50/444289550.db2.gz ZLYLOYRPRXKBCK-HUUCEWRRSA-N 1 3 325.403 1.997 20 0 EDADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766060 444289551 /nfs/dbraw/zinc/28/95/51/444289551.db2.gz ZLYLOYRPRXKBCK-HUUCEWRRSA-N 1 3 325.403 1.997 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)C1 ZINC000580554663 322066489 /nfs/dbraw/zinc/06/64/89/322066489.db2.gz XFPBQRGXUFDOCL-ULQDDVLXSA-N 1 3 327.513 1.826 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)C1 ZINC000580554663 322066492 /nfs/dbraw/zinc/06/64/92/322066492.db2.gz XFPBQRGXUFDOCL-ULQDDVLXSA-N 1 3 327.513 1.826 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785431 322095831 /nfs/dbraw/zinc/09/58/31/322095831.db2.gz DDOMMDOLQLXNGW-DLBZAZTESA-N 1 3 331.464 1.439 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580963915 322118990 /nfs/dbraw/zinc/11/89/90/322118990.db2.gz GPGZURHXKXRUDA-INIZCTEOSA-N 1 3 331.464 1.691 20 0 EDADHO CNCc1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000581368737 322169680 /nfs/dbraw/zinc/16/96/80/322169680.db2.gz AKOAKJJGHTZGLG-UHFFFAOYSA-N 1 3 328.420 1.483 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343722393 444546332 /nfs/dbraw/zinc/54/63/32/444546332.db2.gz FAQCPQWOURZKCM-XLIONFOSSA-N 1 3 331.504 1.690 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333010997 444628813 /nfs/dbraw/zinc/62/88/13/444628813.db2.gz SHNBGHYJQYFTMX-IXDOHACOSA-N 1 3 338.496 1.148 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000343916185 444667038 /nfs/dbraw/zinc/66/70/38/444667038.db2.gz KWOYGUKINVHPSE-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000343916185 444667040 /nfs/dbraw/zinc/66/70/40/444667040.db2.gz KWOYGUKINVHPSE-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC[S@@](=O)c1ccccc1 ZINC000342397267 444675088 /nfs/dbraw/zinc/67/50/88/444675088.db2.gz IRCWYOWVOOGQBJ-HSZRJFAPSA-N 1 3 337.533 1.752 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC[S@@](=O)c1ccccc1 ZINC000342397267 444675093 /nfs/dbraw/zinc/67/50/93/444675093.db2.gz IRCWYOWVOOGQBJ-HSZRJFAPSA-N 1 3 337.533 1.752 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823067 444701550 /nfs/dbraw/zinc/70/15/50/444701550.db2.gz HZYMNXCCSPPIPG-OWCLPIDISA-N 1 3 329.510 1.122 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341129432 444689264 /nfs/dbraw/zinc/68/92/64/444689264.db2.gz UKMLYAZTYWSHPP-OAHLLOKOSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341129432 444689267 /nfs/dbraw/zinc/68/92/67/444689267.db2.gz UKMLYAZTYWSHPP-OAHLLOKOSA-N 1 3 340.512 1.659 20 0 EDADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCC2 ZINC000344138475 444801971 /nfs/dbraw/zinc/80/19/71/444801971.db2.gz NJPJCWFAIACFDA-MSOLQXFVSA-N 1 3 339.524 1.314 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000336878482 444824769 /nfs/dbraw/zinc/82/47/69/444824769.db2.gz FQAVWYNPXYKQHH-PASDCYSWSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000336878482 444824771 /nfs/dbraw/zinc/82/47/71/444824771.db2.gz FQAVWYNPXYKQHH-PASDCYSWSA-N 1 3 337.508 1.900 20 0 EDADHO CC[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)N1CCc2ccccc2C1 ZINC000342758554 444851680 /nfs/dbraw/zinc/85/16/80/444851680.db2.gz UKXNJLMJXIVIKF-IRXDYDNUSA-N 1 3 347.459 1.220 20 0 EDADHO CC1(C)NC(=O)N(CCCN2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041374 444913500 /nfs/dbraw/zinc/91/35/00/444913500.db2.gz BKWREOXUQCRVMB-HZPDHXFCSA-N 1 3 344.459 1.381 20 0 EDADHO CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000342949186 444959724 /nfs/dbraw/zinc/95/97/24/444959724.db2.gz BWAUONCEXMJLLS-QZTJIDSGSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)N1CCCCC1 ZINC000342949186 444959727 /nfs/dbraw/zinc/95/97/27/444959727.db2.gz BWAUONCEXMJLLS-QZTJIDSGSA-N 1 3 339.524 1.850 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000344485448 445004098 /nfs/dbraw/zinc/00/40/98/445004098.db2.gz XXIFAYWDFOQGSA-QGZVFWFLSA-N 1 3 340.512 1.254 20 0 EDADHO O=C(NCCN1CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341803380 445009204 /nfs/dbraw/zinc/00/92/04/445009204.db2.gz HZHNBMVEOTZGGN-MRXNPFEDSA-N 1 3 325.522 1.806 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385047 445058391 /nfs/dbraw/zinc/05/83/91/445058391.db2.gz FKATYOBOPJKNLB-HHXXYDBFSA-N 1 3 348.491 1.434 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343178846 445119325 /nfs/dbraw/zinc/11/93/25/445119325.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000343178846 445119329 /nfs/dbraw/zinc/11/93/29/445119329.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 1 3 340.512 1.071 20 0 EDADHO O=C1CCCN1C[C@H](O)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348304415 445249778 /nfs/dbraw/zinc/24/97/78/445249778.db2.gz HQWWKUQQWKAMSX-GUDVDZBRSA-N 1 3 343.471 1.034 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354588034 445304891 /nfs/dbraw/zinc/30/48/91/445304891.db2.gz UTYNYMXDXMCNJC-IXDOHACOSA-N 1 3 325.497 1.581 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039011 445484786 /nfs/dbraw/zinc/48/47/86/445484786.db2.gz WLJFGLXNKIQOAI-QGZVFWFLSA-N 1 3 336.528 1.881 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039011 445484788 /nfs/dbraw/zinc/48/47/88/445484788.db2.gz WLJFGLXNKIQOAI-QGZVFWFLSA-N 1 3 336.528 1.881 20 0 EDADHO COC[C@]1(CNC(=O)c2oc3ccccc3c2CN(C)C)CCC[NH2+]1 ZINC000357267505 445516691 /nfs/dbraw/zinc/51/66/91/445516691.db2.gz FNJVUBBNBJHQIC-LJQANCHMSA-N 1 3 345.443 1.993 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000349058885 445490080 /nfs/dbraw/zinc/49/00/80/445490080.db2.gz XDTHGCXJFKBXAZ-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948868 445501491 /nfs/dbraw/zinc/50/14/91/445501491.db2.gz IHIWUOAKBDBOIX-DLBZAZTESA-N 1 3 325.497 1.770 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000362824104 445566179 /nfs/dbraw/zinc/56/61/79/445566179.db2.gz XITBGKZBJXNSES-KRWDZBQOSA-N 1 3 339.528 1.138 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000353475478 445618701 /nfs/dbraw/zinc/61/87/01/445618701.db2.gz XRIGXMAMFAOMEQ-ROUUACIJSA-N 1 3 331.460 1.970 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358512858 445625724 /nfs/dbraw/zinc/62/57/24/445625724.db2.gz UOUSLYXRXHJLDF-UHFFFAOYSA-N 1 3 331.460 1.429 20 0 EDADHO CCOCc1ccc(CNC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358519762 445630451 /nfs/dbraw/zinc/63/04/51/445630451.db2.gz SONCOMLXTIGBSL-UHFFFAOYSA-N 1 3 345.487 1.915 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363053086 445662242 /nfs/dbraw/zinc/66/22/42/445662242.db2.gz CXDUTXXFWKLQRO-GJZGRUSLSA-N 1 3 329.510 1.041 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358678501 445711616 /nfs/dbraw/zinc/71/16/16/445711616.db2.gz GVIBWGFWXDEPEM-LJQANCHMSA-N 1 3 348.491 1.394 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000353729153 445727671 /nfs/dbraw/zinc/72/76/71/445727671.db2.gz ZRGWFSVTKZIELS-UHFFFAOYSA-N 1 3 331.460 1.259 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000353931361 445816955 /nfs/dbraw/zinc/81/69/55/445816955.db2.gz YPWUSSDYTLPLOF-HOCLYGCPSA-N 1 3 328.526 1.597 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000353931361 445816957 /nfs/dbraw/zinc/81/69/57/445816957.db2.gz YPWUSSDYTLPLOF-HOCLYGCPSA-N 1 3 328.526 1.597 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846565 445807418 /nfs/dbraw/zinc/80/74/18/445807418.db2.gz KTOGAEATZCUESB-WBVHZDCISA-N 1 3 325.497 1.412 20 0 EDADHO COCC1(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000358892025 445834561 /nfs/dbraw/zinc/83/45/61/445834561.db2.gz YMXFNLXGKVOVMP-FUHWJXTLSA-N 1 3 345.487 1.954 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350617566 445855227 /nfs/dbraw/zinc/85/52/27/445855227.db2.gz GBKZZHFAVBWWMI-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1(C)C ZINC000364215960 445901010 /nfs/dbraw/zinc/90/10/10/445901010.db2.gz QSGYUZVYAOTLNO-DBDOFBCQSA-N 1 3 335.492 1.462 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1(C)C ZINC000364215960 445901015 /nfs/dbraw/zinc/90/10/15/445901015.db2.gz QSGYUZVYAOTLNO-DBDOFBCQSA-N 1 3 335.492 1.462 20 0 EDADHO CN1CCN(CCCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864295 445962567 /nfs/dbraw/zinc/96/25/67/445962567.db2.gz GNDOTXDJJRESPE-HKUYNNGSSA-N 1 3 348.466 1.183 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000361832892 445990125 /nfs/dbraw/zinc/99/01/25/445990125.db2.gz KSRKPNGDBUTALO-KRWDZBQOSA-N 1 3 334.464 1.843 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000361790682 445948408 /nfs/dbraw/zinc/94/84/08/445948408.db2.gz VPZZWBWTYAKURL-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000361790682 445948414 /nfs/dbraw/zinc/94/84/14/445948414.db2.gz VPZZWBWTYAKURL-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000583025985 325983306 /nfs/dbraw/zinc/98/33/06/325983306.db2.gz JXLJAIBXFWGGRB-OLMNPRSZSA-N 1 3 331.460 1.946 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000583811674 326144814 /nfs/dbraw/zinc/14/48/14/326144814.db2.gz PAJUQGGPZHBQFG-HOTGVXAUSA-N 1 3 334.468 1.163 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000583811674 326144815 /nfs/dbraw/zinc/14/48/15/326144815.db2.gz PAJUQGGPZHBQFG-HOTGVXAUSA-N 1 3 334.468 1.163 20 0 EDADHO CN(C)[C@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(Cl)cc1 ZINC000584108120 326200608 /nfs/dbraw/zinc/20/06/08/326200608.db2.gz NMXJMKJRSPRNGJ-IAGOWNOFSA-N 1 3 325.884 1.987 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]12 ZINC000351476250 446077388 /nfs/dbraw/zinc/07/73/88/446077388.db2.gz KHXNVAKXODXETJ-BZUAXINKSA-N 1 3 330.432 1.072 20 0 EDADHO Cc1cnc(N(C)CCN(C)C2CC2)nc1N(C)CC[N@H+](C)C1CC1 ZINC000351583125 446180483 /nfs/dbraw/zinc/18/04/83/446180483.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1cnc(N(C)CCN(C)C2CC2)nc1N(C)CC[N@@H+](C)C1CC1 ZINC000351583125 446180488 /nfs/dbraw/zinc/18/04/88/446180488.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 1 3 346.523 1.846 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412574 446208291 /nfs/dbraw/zinc/20/82/91/446208291.db2.gz GWLGGGMYOLSHAG-RHSMWYFYSA-N 1 3 337.489 1.656 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412574 446208296 /nfs/dbraw/zinc/20/82/96/446208296.db2.gz GWLGGGMYOLSHAG-RHSMWYFYSA-N 1 3 337.489 1.656 20 0 EDADHO CC[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000362157690 446241456 /nfs/dbraw/zinc/24/14/56/446241456.db2.gz VSGXOMLSERKCGO-FQEVSTJZSA-N 1 3 345.487 1.649 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1SC ZINC000362322203 446319116 /nfs/dbraw/zinc/31/91/16/446319116.db2.gz MCVNYWNBOZEBAD-BARDWOONSA-N 1 3 329.510 1.072 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1SC ZINC000362322203 446319118 /nfs/dbraw/zinc/31/91/18/446319118.db2.gz MCVNYWNBOZEBAD-BARDWOONSA-N 1 3 329.510 1.072 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000417502013 446356141 /nfs/dbraw/zinc/35/61/41/446356141.db2.gz BCQVSNRNGJWHCP-CALCHBBNSA-N 1 3 346.475 1.030 20 0 EDADHO COCC1(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000417531963 446362750 /nfs/dbraw/zinc/36/27/50/446362750.db2.gz KDCAZFJXTWMQCT-IYBDPMFKSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000365871996 446381183 /nfs/dbraw/zinc/38/11/83/446381183.db2.gz SWXFAGVWPFBBPP-CABCVRRESA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417907423 446382050 /nfs/dbraw/zinc/38/20/50/446382050.db2.gz FAGOMEWWIQQWAS-ZIAGYGMSSA-N 1 3 332.439 1.651 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417907423 446382055 /nfs/dbraw/zinc/38/20/55/446382055.db2.gz FAGOMEWWIQQWAS-ZIAGYGMSSA-N 1 3 332.439 1.651 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000365881979 446385847 /nfs/dbraw/zinc/38/58/47/446385847.db2.gz DYTXQFQRYFLIKY-GOSISDBHSA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000365881979 446385851 /nfs/dbraw/zinc/38/58/51/446385851.db2.gz DYTXQFQRYFLIKY-GOSISDBHSA-N 1 3 344.503 1.600 20 0 EDADHO CC[C@@H](C)N[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171722 446445380 /nfs/dbraw/zinc/44/53/80/446445380.db2.gz VJFNMUXMHRJMGJ-ZIAGYGMSSA-N 1 3 336.436 1.093 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366987429 446446228 /nfs/dbraw/zinc/44/62/28/446446228.db2.gz HYCUSLXQLQKOBH-JQHSSLGASA-N 1 3 347.434 1.237 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)CN1 ZINC000417989373 446409453 /nfs/dbraw/zinc/40/94/53/446409453.db2.gz JKYXJRPYELBLLK-RKVPGOIHSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)CN1 ZINC000417989373 446409455 /nfs/dbraw/zinc/40/94/55/446409455.db2.gz JKYXJRPYELBLLK-RKVPGOIHSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418008205 446413962 /nfs/dbraw/zinc/41/39/62/446413962.db2.gz GWOGXPHYBQLTQK-OWYHZJEWSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccncc2OCCN(C)C)[C@@H](C[NH3+])C1 ZINC000418192238 446455766 /nfs/dbraw/zinc/45/57/66/446455766.db2.gz MEEFSTMQGURTOM-GOEBONIOSA-N 1 3 349.479 1.291 20 0 EDADHO CCCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000420311089 446473684 /nfs/dbraw/zinc/47/36/84/446473684.db2.gz GSNJZSHMSYAJFM-LJQANCHMSA-N 1 3 346.519 1.870 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423294019 446474975 /nfs/dbraw/zinc/47/49/75/446474975.db2.gz AYIRUJKPBACGFQ-KRWDZBQOSA-N 1 3 346.475 1.824 20 0 EDADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCCN2CCO)CCCCCC1 ZINC000418287799 446484870 /nfs/dbraw/zinc/48/48/70/446484870.db2.gz VBRZZHBHGDGYGI-OAHLLOKOSA-N 1 3 326.485 1.184 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418285253 446484999 /nfs/dbraw/zinc/48/49/99/446484999.db2.gz ORMYMDLEENRTKE-UHFFFAOYSA-N 1 3 339.528 1.317 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334002 446492815 /nfs/dbraw/zinc/49/28/15/446492815.db2.gz QFTMLARFYMTEKO-CABCVRRESA-N 1 3 333.480 1.491 20 0 EDADHO C[C@H]1CC[NH2+][C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000423337772 446494722 /nfs/dbraw/zinc/49/47/22/446494722.db2.gz VOXTWAAMDOCORS-GJZGRUSLSA-N 1 3 325.522 1.852 20 0 EDADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000423337774 446495147 /nfs/dbraw/zinc/49/51/47/446495147.db2.gz VOXTWAAMDOCORS-LSDHHAIUSA-N 1 3 325.522 1.852 20 0 EDADHO CC[NH2+]CCNC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418332604 446503198 /nfs/dbraw/zinc/50/31/98/446503198.db2.gz ZQFLHSLONKAPBN-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000423368257 446504117 /nfs/dbraw/zinc/50/41/17/446504117.db2.gz FASRNPBOQBUXDO-HNAYVOBHSA-N 1 3 345.487 1.648 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335372 446506674 /nfs/dbraw/zinc/50/66/74/446506674.db2.gz HFBVQLJOYAJMNV-ZWKOTPCHSA-N 1 3 327.472 1.893 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341858 446513862 /nfs/dbraw/zinc/51/38/62/446513862.db2.gz QLXNFLRYLIIHGL-KZNAEPCWSA-N 1 3 330.476 1.089 20 0 EDADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396663 446516631 /nfs/dbraw/zinc/51/66/31/446516631.db2.gz UCVBOTXXRQDYNH-ABAIWWIYSA-N 1 3 345.365 1.902 20 0 EDADHO CN1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493375 446564705 /nfs/dbraw/zinc/56/47/05/446564705.db2.gz WFSTYPBVCHINMI-HKUYNNGSSA-N 1 3 342.443 1.205 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000418492396 446565477 /nfs/dbraw/zinc/56/54/77/446565477.db2.gz VANFQHQAPPQMIR-QAPCUYQASA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344765 446517141 /nfs/dbraw/zinc/51/71/41/446517141.db2.gz USJNWFONEPRRTO-KFWWJZLASA-N 1 3 333.501 1.953 20 0 EDADHO O=C(CCN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000420348330 446523427 /nfs/dbraw/zinc/52/34/27/446523427.db2.gz KVWPYVHZJANQAC-INIZCTEOSA-N 1 3 338.402 1.273 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000418388126 446524364 /nfs/dbraw/zinc/52/43/64/446524364.db2.gz POLKZWWFTQVAKB-SJORKVTESA-N 1 3 333.480 1.528 20 0 EDADHO Cc1ccc([C@H](CNC(=O)CCCN2CCC([NH3+])CC2)N(C)C)cc1 ZINC000433163800 446541412 /nfs/dbraw/zinc/54/14/12/446541412.db2.gz PNVJKHCMOYCOCS-IBGZPJMESA-N 1 3 346.519 1.917 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418469350 446554935 /nfs/dbraw/zinc/55/49/35/446554935.db2.gz PHSDLOQERTYRTP-IEBWSBKVSA-N 1 3 346.475 1.002 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC000433465770 446579279 /nfs/dbraw/zinc/57/92/79/446579279.db2.gz IXWIJISRDNHNQX-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433466040 446579936 /nfs/dbraw/zinc/57/99/36/446579936.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433466040 446579943 /nfs/dbraw/zinc/57/99/43/446579943.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409401 446582810 /nfs/dbraw/zinc/58/28/10/446582810.db2.gz VNULWNPIQZDDHT-FHLIZLRMSA-N 1 3 328.460 1.968 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418530110 446583799 /nfs/dbraw/zinc/58/37/99/446583799.db2.gz ALFJCGSJQRLECH-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCN(C)C)cc1 ZINC000418546307 446587723 /nfs/dbraw/zinc/58/77/23/446587723.db2.gz JKFWLGZMHTVQET-IRXDYDNUSA-N 1 3 334.464 1.344 20 0 EDADHO CN(C)CCN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C1CCCC1 ZINC000423709371 446652257 /nfs/dbraw/zinc/65/22/57/446652257.db2.gz IPFLIZHBGNLUCJ-MRXNPFEDSA-N 1 3 333.480 1.754 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418781850 446700398 /nfs/dbraw/zinc/70/03/98/446700398.db2.gz DLCQXOALXSPFPN-KBPBESRZSA-N 1 3 333.436 1.049 20 0 EDADHO CN(C[C@@H]1CCCN1C)c1cncc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420632766 446712803 /nfs/dbraw/zinc/71/28/03/446712803.db2.gz IBGNIAJBJKGWON-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@@H]1CCCN1C)c1cncc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420632766 446712807 /nfs/dbraw/zinc/71/28/07/446712807.db2.gz IBGNIAJBJKGWON-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO C[C@@H]1C[N@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000371303007 446757820 /nfs/dbraw/zinc/75/78/20/446757820.db2.gz MGJNCCVXXAUVIM-CVEARBPZSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1C[N@@H+](CCC(=O)OC(C)(C)C)CC[C@@H]1N1CCN(C)CC1 ZINC000371303007 446757827 /nfs/dbraw/zinc/75/78/27/446757827.db2.gz MGJNCCVXXAUVIM-CVEARBPZSA-N 1 3 325.497 1.676 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959484 446798045 /nfs/dbraw/zinc/79/80/45/446798045.db2.gz CJOIJYMHIVUPGE-GOSISDBHSA-N 1 3 332.492 1.610 20 0 EDADHO N[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1cccc(F)c1 ZINC000424003926 446817713 /nfs/dbraw/zinc/81/77/13/446817713.db2.gz AJLZMYHXGDWXSS-ITQYTPKQSA-N 1 3 331.435 1.859 20 0 EDADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375463793 446818374 /nfs/dbraw/zinc/81/83/74/446818374.db2.gz FYGCVSCIYBJHEI-DJIMGWMZSA-N 1 3 346.475 1.893 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154056 446859680 /nfs/dbraw/zinc/85/96/80/446859680.db2.gz KZLJTIJHOIJIMJ-QXSJWSMHSA-N 1 3 348.495 1.299 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000424458639 446877145 /nfs/dbraw/zinc/87/71/45/446877145.db2.gz UOILXCLOYZFUFJ-DZGCQCFKSA-N 1 3 346.475 1.629 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000419079753 446910946 /nfs/dbraw/zinc/91/09/46/446910946.db2.gz NTJPHLSFEAYTRS-GJZGRUSLSA-N 1 3 326.485 1.001 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454533548 446903544 /nfs/dbraw/zinc/90/35/44/446903544.db2.gz WMZKECUFUDYIQU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1=CCN(C)CC1 ZINC000371587993 446935239 /nfs/dbraw/zinc/93/52/39/446935239.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 1 3 332.492 1.763 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)C1=CCN(C)CC1 ZINC000371587993 446935244 /nfs/dbraw/zinc/93/52/44/446935244.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 1 3 332.492 1.763 20 0 EDADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420977358 446949458 /nfs/dbraw/zinc/94/94/58/446949458.db2.gz HVBMZNLQLMEFHL-SJORKVTESA-N 1 3 338.540 1.782 20 0 EDADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420977358 446949462 /nfs/dbraw/zinc/94/94/62/446949462.db2.gz HVBMZNLQLMEFHL-SJORKVTESA-N 1 3 338.540 1.782 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979303 446951531 /nfs/dbraw/zinc/95/15/31/446951531.db2.gz KJBCKHREYJGPCK-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979303 446951535 /nfs/dbraw/zinc/95/15/35/446951535.db2.gz KJBCKHREYJGPCK-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO COCC[C@@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]C1 ZINC000372120833 447013957 /nfs/dbraw/zinc/01/39/57/447013957.db2.gz GCOYCGBOCGUYMQ-IBGZPJMESA-N 1 3 349.475 1.259 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419173348 446989361 /nfs/dbraw/zinc/98/93/61/446989361.db2.gz SKLXGSDFYSITQT-CVEARBPZSA-N 1 3 338.496 1.016 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098757 447000992 /nfs/dbraw/zinc/00/09/92/447000992.db2.gz NCOZNFWADOKHCY-XDNAFOTISA-N 1 3 334.508 1.146 20 0 EDADHO COCC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC000372399558 447056714 /nfs/dbraw/zinc/05/67/14/447056714.db2.gz OJMSIUNMDGSVPS-AZUAARDMSA-N 1 3 345.487 1.956 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CC)C2)[C@H](C)C1 ZINC000413300670 447124549 /nfs/dbraw/zinc/12/45/49/447124549.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CC)C2)[C@H](C)C1 ZINC000413300670 447124550 /nfs/dbraw/zinc/12/45/50/447124550.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)N1CCc2ccccc2C1 ZINC000444187715 447091553 /nfs/dbraw/zinc/09/15/53/447091553.db2.gz SNLGJCFGIITIDH-QWFCFKBJSA-N 1 3 327.472 1.939 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@H]1C ZINC000455656706 447198536 /nfs/dbraw/zinc/19/85/36/447198536.db2.gz KXVAZTAFJIBOCO-CABCVRRESA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CCN(C)C)C[C@H]1C ZINC000455656706 447198544 /nfs/dbraw/zinc/19/85/44/447198544.db2.gz KXVAZTAFJIBOCO-CABCVRRESA-N 1 3 336.484 1.781 20 0 EDADHO CN(C)CCOc1cnccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209632 /nfs/dbraw/zinc/20/96/32/447209632.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 1 3 332.492 1.984 20 0 EDADHO CN(C)CCOc1cnccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209633 /nfs/dbraw/zinc/20/96/33/447209633.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 1 3 332.492 1.984 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390847580 447502738 /nfs/dbraw/zinc/50/27/38/447502738.db2.gz BYWFXUOHJVZWBV-ROUUACIJSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408740 447537361 /nfs/dbraw/zinc/53/73/61/447537361.db2.gz MQNKLJDKDHGHGJ-BZUAXINKSA-N 1 3 340.512 1.610 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408740 447537368 /nfs/dbraw/zinc/53/73/68/447537368.db2.gz MQNKLJDKDHGHGJ-BZUAXINKSA-N 1 3 340.512 1.610 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397980872 447554024 /nfs/dbraw/zinc/55/40/24/447554024.db2.gz XDALJDQYXRMCPX-NJAFHUGGSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000397980872 447554028 /nfs/dbraw/zinc/55/40/28/447554028.db2.gz XDALJDQYXRMCPX-NJAFHUGGSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980878 447554360 /nfs/dbraw/zinc/55/43/60/447554360.db2.gz XDALJDQYXRMCPX-SZMVWBNQSA-N 1 3 334.460 1.801 20 0 EDADHO CCOC(=O)C[C@H](O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980878 447554366 /nfs/dbraw/zinc/55/43/66/447554366.db2.gz XDALJDQYXRMCPX-SZMVWBNQSA-N 1 3 334.460 1.801 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416838990 447694885 /nfs/dbraw/zinc/69/48/85/447694885.db2.gz JRISERLKFPXCBZ-KURKYZTESA-N 1 3 328.460 1.654 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416850272 447695401 /nfs/dbraw/zinc/69/54/01/447695401.db2.gz ZLNLOQNQGOSMCC-ROUUACIJSA-N 1 3 348.491 1.829 20 0 EDADHO O=C(OCc1ccccc1)N1CCC(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495932777 447653236 /nfs/dbraw/zinc/65/32/36/447653236.db2.gz IQMCNZKNINBFQV-PIIMJCKOSA-N 1 3 329.444 1.843 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420223025 447676270 /nfs/dbraw/zinc/67/62/70/447676270.db2.gz ZFOFUAXABQRUIZ-CQSZACIVSA-N 1 3 347.511 1.904 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457932420 447677564 /nfs/dbraw/zinc/67/75/64/447677564.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457932420 447677565 /nfs/dbraw/zinc/67/75/65/447677565.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO CC1(C)COCCN1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422703445 447720405 /nfs/dbraw/zinc/72/04/05/447720405.db2.gz HUTHGVKVAXHXLU-FXAWDEMLSA-N 1 3 345.487 1.943 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715825 447725424 /nfs/dbraw/zinc/72/54/24/447725424.db2.gz MTTNYHKFQZQWFS-QZTJIDSGSA-N 1 3 346.523 1.486 20 0 EDADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714740 447725504 /nfs/dbraw/zinc/72/55/04/447725504.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 1 3 343.515 1.908 20 0 EDADHO C[C@H](NC[C@@H](O)Cn1ccnn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715211 447749412 /nfs/dbraw/zinc/74/94/12/447749412.db2.gz PAIBXXXOIIZIGK-CGTJXYLNSA-N 1 3 329.448 1.139 20 0 EDADHO C[C@H](NC[C@@H](O)Cn1ccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715211 447749418 /nfs/dbraw/zinc/74/94/18/447749418.db2.gz PAIBXXXOIIZIGK-CGTJXYLNSA-N 1 3 329.448 1.139 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422843837 447766515 /nfs/dbraw/zinc/76/65/15/447766515.db2.gz JTOIPHJQOQCOFG-OKZBNKHCSA-N 1 3 336.524 1.487 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845119 447767769 /nfs/dbraw/zinc/76/77/69/447767769.db2.gz NLJVAUUNVQPXIU-PKOBYXMFSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)nnn1C1CC[NH2+]CC1 ZINC000430791605 447785655 /nfs/dbraw/zinc/78/56/55/447785655.db2.gz NLFRZIUZVZVHOB-VHRNVKJDSA-N 1 3 346.479 1.256 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000422986772 447788175 /nfs/dbraw/zinc/78/81/75/447788175.db2.gz HHTNZONYMBDFQW-JQHSSLGASA-N 1 3 325.460 1.994 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000423084703 447802579 /nfs/dbraw/zinc/80/25/79/447802579.db2.gz IPEHKOSQHFTSHL-CGTJXYLNSA-N 1 3 327.476 1.937 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804171 /nfs/dbraw/zinc/80/41/71/447804171.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 1 3 335.471 1.805 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804175 /nfs/dbraw/zinc/80/41/75/447804175.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 1 3 335.471 1.805 20 0 EDADHO CC(C)[C@H](CNC(=O)NCCOCCN(C)C)[NH+]1CCCCCC1 ZINC000471635912 447806782 /nfs/dbraw/zinc/80/67/82/447806782.db2.gz LKWUNLJJRUNRLH-KRWDZBQOSA-N 1 3 342.528 1.764 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000524786079 447954034 /nfs/dbraw/zinc/95/40/34/447954034.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000524786079 447954037 /nfs/dbraw/zinc/95/40/37/447954037.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 1 3 339.528 1.138 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000524903640 447959790 /nfs/dbraw/zinc/95/97/90/447959790.db2.gz YBRLLIJYTLZXAQ-UHFFFAOYSA-N 1 3 328.407 1.600 20 0 EDADHO CCOC(=O)N1CCC(NC(=[NH2+])NCC2(N(C)C)CCCC2)CC1 ZINC000497170720 447919285 /nfs/dbraw/zinc/91/92/85/447919285.db2.gz SMTMQLWPPFXWPX-UHFFFAOYSA-N 1 3 339.484 1.596 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)C(C)(C)C3)CC2)CC1 ZINC000575934886 447933094 /nfs/dbraw/zinc/93/30/94/447933094.db2.gz ZUYBPABWPYCRGM-QGZVFWFLSA-N 1 3 337.508 1.412 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000530678259 447938935 /nfs/dbraw/zinc/93/89/35/447938935.db2.gz BAPMOLHYKUEIQP-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCN1C ZINC000491375373 448007442 /nfs/dbraw/zinc/00/74/42/448007442.db2.gz NZYZNMQMQLAWFP-ZFWWWQNUSA-N 1 3 334.468 1.754 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000525813430 448031639 /nfs/dbraw/zinc/03/16/39/448031639.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000525813430 448031641 /nfs/dbraw/zinc/03/16/41/448031641.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CN1CCC(O)(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497295462 448048510 /nfs/dbraw/zinc/04/85/10/448048510.db2.gz ARJDACGQPZWMON-RHSMWYFYSA-N 1 3 339.480 1.290 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C1 ZINC000501742045 448096594 /nfs/dbraw/zinc/09/65/94/448096594.db2.gz AAMWXXATCONZFM-WCVJEAGWSA-N 1 3 326.485 1.220 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000576611664 448097251 /nfs/dbraw/zinc/09/72/51/448097251.db2.gz WYBCEFQGENFJKO-QAPCUYQASA-N 1 3 330.476 1.905 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000576611664 448097258 /nfs/dbraw/zinc/09/72/58/448097258.db2.gz WYBCEFQGENFJKO-QAPCUYQASA-N 1 3 330.476 1.905 20 0 EDADHO CCC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000571051044 448099812 /nfs/dbraw/zinc/09/98/12/448099812.db2.gz WMNNXLQZNJMSCP-LSDHHAIUSA-N 1 3 349.479 1.060 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000571277454 448124643 /nfs/dbraw/zinc/12/46/43/448124643.db2.gz IUYCXVPDBNUJDC-MJGOQNOKSA-N 1 3 348.487 1.825 20 0 EDADHO CN(CCN1CCN(C(=O)/C=C\C[NH+](C)C)CC1)Cc1ccccc1 ZINC000491903850 448148797 /nfs/dbraw/zinc/14/87/97/448148797.db2.gz IKLOBMXNUCYTKW-YFHOEESVSA-N 1 3 344.503 1.380 20 0 EDADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)CN1CCOCC1 ZINC000576979105 448184856 /nfs/dbraw/zinc/18/48/56/448184856.db2.gz BQWTUTLWRQLLQT-LJQANCHMSA-N 1 3 333.476 1.065 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000577002554 448191492 /nfs/dbraw/zinc/19/14/92/448191492.db2.gz HBYPVFFQUJLGOJ-KRWDZBQOSA-N 1 3 329.448 1.477 20 0 EDADHO CNC(=O)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000527376456 448220373 /nfs/dbraw/zinc/22/03/73/448220373.db2.gz AJKRWGJBNGFKSO-UHFFFAOYSA-N 1 3 349.479 1.312 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000532594751 448278066 /nfs/dbraw/zinc/27/80/66/448278066.db2.gz WKTCRVLGNWRDKF-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](CC(=O)Nc1cnccc1N1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000515655508 448340278 /nfs/dbraw/zinc/34/02/78/448340278.db2.gz JZKAMYASIPHZAK-HOTGVXAUSA-N 1 3 345.491 1.798 20 0 EDADHO CC[C@@H]1CN(C(=O)NCC2(SC)CCN(C)CC2)CC[C@H]1[NH3+] ZINC000591358452 448340913 /nfs/dbraw/zinc/34/09/13/448340913.db2.gz OLQATNMWSKFBMH-ZIAGYGMSSA-N 1 3 328.526 1.583 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)[C@H]2CCCO2)CC1 ZINC000527756925 448353556 /nfs/dbraw/zinc/35/35/56/448353556.db2.gz GVCLTORYBWXOHJ-VQTJNVASSA-N 1 3 347.503 1.848 20 0 EDADHO CN(CCN1CCN(C(=O)CC[NH2+]C2CC2)CC1)Cc1ccccc1 ZINC000516193297 448396413 /nfs/dbraw/zinc/39/64/13/448396413.db2.gz JJUOCXKPZSJAMG-UHFFFAOYSA-N 1 3 344.503 1.405 20 0 EDADHO CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000578084334 448458474 /nfs/dbraw/zinc/45/84/74/448458474.db2.gz WMLDCINYOQHTSR-KRWDZBQOSA-N 1 3 346.475 1.789 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000578130674 448468153 /nfs/dbraw/zinc/46/81/53/448468153.db2.gz WTKDNIZLIMEDKO-GJZGRUSLSA-N 1 3 348.491 1.568 20 0 EDADHO CC[C@H](C)[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566443442 448472086 /nfs/dbraw/zinc/47/20/86/448472086.db2.gz SJUROMAEVXGGJS-YJBOKZPZSA-N 1 3 339.524 1.706 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000517225283 448556210 /nfs/dbraw/zinc/55/62/10/448556210.db2.gz SXKVFUCINHNIME-SJORKVTESA-N 1 3 333.480 1.094 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000517225046 448556715 /nfs/dbraw/zinc/55/67/15/448556715.db2.gz VMRQVNWKTGNSMV-UHFFFAOYSA-N 1 3 348.491 1.897 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000566797163 448561727 /nfs/dbraw/zinc/56/17/27/448561727.db2.gz GXBMHFJILAVRPZ-QZTJIDSGSA-N 1 3 336.476 1.417 20 0 EDADHO COC(=O)CC1(NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000573376747 448612481 /nfs/dbraw/zinc/61/24/81/448612481.db2.gz YRJRZOMBMIZSTR-HNNXBMFYSA-N 1 3 333.432 1.091 20 0 EDADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000567268559 448655271 /nfs/dbraw/zinc/65/52/71/448655271.db2.gz GPYIEVGLGYWJIT-IAGOWNOFSA-N 1 3 330.476 1.798 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994869 448688712 /nfs/dbraw/zinc/68/87/12/448688712.db2.gz SMDDABURRVIUPV-ZWKOTPCHSA-N 1 3 336.524 1.428 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994869 448688715 /nfs/dbraw/zinc/68/87/15/448688715.db2.gz SMDDABURRVIUPV-ZWKOTPCHSA-N 1 3 336.524 1.428 20 0 EDADHO CN(C)CCN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000518540527 448691108 /nfs/dbraw/zinc/69/11/08/448691108.db2.gz QMHWDHOWPBBHAF-OAHLLOKOSA-N 1 3 342.447 1.239 20 0 EDADHO CN1CCC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025438 448698843 /nfs/dbraw/zinc/69/88/43/448698843.db2.gz CNOHWULMRADSGC-SWLSCSKDSA-N 1 3 348.476 1.111 20 0 EDADHO COC(=O)[C@@H]1CN([C@@H](C)CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699585 /nfs/dbraw/zinc/69/95/85/448699585.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 1 3 340.464 1.247 20 0 EDADHO COC(=O)[C@@H]1CN([C@@H](C)CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699586 /nfs/dbraw/zinc/69/95/86/448699586.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 1 3 340.464 1.247 20 0 EDADHO Cc1csc([C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000544691023 448766304 /nfs/dbraw/zinc/76/63/04/448766304.db2.gz IQGADJPCCOQBKB-ZDUSSCGKSA-N 1 3 341.525 1.690 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000519635149 448806893 /nfs/dbraw/zinc/80/68/93/448806893.db2.gz UZEHVBGJQYSIHD-NVXWUHKLSA-N 1 3 347.507 1.400 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000519691168 448819372 /nfs/dbraw/zinc/81/93/72/448819372.db2.gz NLEORFHMOZZBRU-OKZBNKHCSA-N 1 3 331.460 1.474 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580900 448824553 /nfs/dbraw/zinc/82/45/53/448824553.db2.gz ZVLSASLEXKTJDG-JFIYKMOQSA-N 1 3 331.460 1.644 20 0 EDADHO COCCN1CC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191474 448832368 /nfs/dbraw/zinc/83/23/68/448832368.db2.gz JALRMPYWCIURQH-HOTGVXAUSA-N 1 3 341.521 1.041 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000529359649 448840553 /nfs/dbraw/zinc/84/05/53/448840553.db2.gz MHTKHZQBFQZKDJ-MRXNPFEDSA-N 1 3 336.480 1.025 20 0 EDADHO CCN1CCN(CCCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000519830837 448855268 /nfs/dbraw/zinc/85/52/68/448855268.db2.gz YECUBWIMDKEXHL-UHFFFAOYSA-N 1 3 332.492 1.335 20 0 EDADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000580568794 448952256 /nfs/dbraw/zinc/95/22/56/448952256.db2.gz PQJGPMWBAWIVIB-QGZVFWFLSA-N 1 3 341.459 1.905 20 0 EDADHO CN(C)CCn1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000580568794 448952261 /nfs/dbraw/zinc/95/22/61/448952261.db2.gz PQJGPMWBAWIVIB-QGZVFWFLSA-N 1 3 341.459 1.905 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120823 449016862 /nfs/dbraw/zinc/01/68/62/449016862.db2.gz UGJSSWSNSYPHAJ-RBUKOAKNSA-N 1 3 344.503 1.356 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000575121419 449040860 /nfs/dbraw/zinc/04/08/60/449040860.db2.gz OOFXAHOLAGTXDP-CVEARBPZSA-N 1 3 332.492 1.710 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(SC)CCN(C)CC1 ZINC000589643783 449045931 /nfs/dbraw/zinc/04/59/31/449045931.db2.gz ZIDAKVFYRMDGND-OAHLLOKOSA-N 1 3 342.553 1.987 20 0 EDADHO O=C(NCCN1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256689 449067981 /nfs/dbraw/zinc/06/79/81/449067981.db2.gz WQRQNLVRTAEJQN-IBGZPJMESA-N 1 3 331.460 1.226 20 0 EDADHO O=C(NCCN1CCCCC1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000522256689 449067983 /nfs/dbraw/zinc/06/79/83/449067983.db2.gz WQRQNLVRTAEJQN-IBGZPJMESA-N 1 3 331.460 1.226 20 0 EDADHO CC(C)(C)OC(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601963790 449249019 /nfs/dbraw/zinc/24/90/19/449249019.db2.gz GPQFGOAWLIVBLG-LJQANCHMSA-N 1 3 334.460 1.945 20 0 EDADHO CC(C)(C)OC(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601963790 449249023 /nfs/dbraw/zinc/24/90/23/449249023.db2.gz GPQFGOAWLIVBLG-LJQANCHMSA-N 1 3 334.460 1.945 20 0 EDADHO Cc1cccc(OCCNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000590798226 449298611 /nfs/dbraw/zinc/29/86/11/449298611.db2.gz FJOLNQKBCKYFST-UHFFFAOYSA-N 1 3 336.480 1.509 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CC2(SC)CCN(C)CC2)n1C ZINC000602023402 449280352 /nfs/dbraw/zinc/28/03/52/449280352.db2.gz INSLVLVIMUCKLZ-UHFFFAOYSA-N 1 3 325.478 1.729 20 0 EDADHO COC(=O)c1ccc(CNCC2(SC)CC[NH+](C)CC2)n1C ZINC000602023402 449280359 /nfs/dbraw/zinc/28/03/59/449280359.db2.gz INSLVLVIMUCKLZ-UHFFFAOYSA-N 1 3 325.478 1.729 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000605985798 449433924 /nfs/dbraw/zinc/43/39/24/449433924.db2.gz KTMSTWVUNBULIA-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000598664873 449527084 /nfs/dbraw/zinc/52/70/84/449527084.db2.gz JIHGCLBJEWKVFV-HNNXBMFYSA-N 1 3 339.480 1.158 20 0 EDADHO CSC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000602335364 449522877 /nfs/dbraw/zinc/52/28/77/449522877.db2.gz YLYKELYGWTZIBT-AWEZNQCLSA-N 1 3 330.542 1.795 20 0 EDADHO CSC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000602335364 449522881 /nfs/dbraw/zinc/52/28/81/449522881.db2.gz YLYKELYGWTZIBT-AWEZNQCLSA-N 1 3 330.542 1.795 20 0 EDADHO CCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617504708 449650486 /nfs/dbraw/zinc/65/04/86/449650486.db2.gz GVNDKAWSXRSEMY-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO CCC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617504708 449650489 /nfs/dbraw/zinc/65/04/89/449650489.db2.gz GVNDKAWSXRSEMY-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000617505885 449651832 /nfs/dbraw/zinc/65/18/32/449651832.db2.gz UFGQBIIUOTZIRO-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000617505885 449651835 /nfs/dbraw/zinc/65/18/35/449651835.db2.gz UFGQBIIUOTZIRO-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506374 449652519 /nfs/dbraw/zinc/65/25/19/449652519.db2.gz LFKUXIFDNXGRKX-ZDUSSCGKSA-N 1 3 346.479 1.348 20 0 EDADHO Cc1nc2ccnn2c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506374 449652524 /nfs/dbraw/zinc/65/25/24/449652524.db2.gz LFKUXIFDNXGRKX-ZDUSSCGKSA-N 1 3 346.479 1.348 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602581026 449685683 /nfs/dbraw/zinc/68/56/83/449685683.db2.gz GRAFGOOHEDKUGA-PVAVHDDUSA-N 1 3 335.517 1.951 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602581026 449685687 /nfs/dbraw/zinc/68/56/87/449685687.db2.gz GRAFGOOHEDKUGA-PVAVHDDUSA-N 1 3 335.517 1.951 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000594926611 449810879 /nfs/dbraw/zinc/81/08/79/449810879.db2.gz UKJCHWSOCNKWCH-KFKAGJAMSA-N 1 3 345.487 1.721 20 0 EDADHO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000597186037 449861425 /nfs/dbraw/zinc/86/14/25/449861425.db2.gz DLJYLKWZWPTFAH-KRWDZBQOSA-N 1 3 334.460 1.932 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000608648666 449897138 /nfs/dbraw/zinc/89/71/38/449897138.db2.gz YRAWJILRZGCGFE-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612892223 449930523 /nfs/dbraw/zinc/93/05/23/449930523.db2.gz JVZFSNHZCXKADJ-SZVBFZGTSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964573 449960320 /nfs/dbraw/zinc/96/03/20/449960320.db2.gz RMOGQXJXIBCQHM-IRXDYDNUSA-N 1 3 330.476 1.601 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000612976539 449967467 /nfs/dbraw/zinc/96/74/67/449967467.db2.gz ZJXZQHFRNSEDLQ-KRWDZBQOSA-N 1 3 342.487 1.527 20 0 EDADHO CN1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000618560757 450244449 /nfs/dbraw/zinc/24/44/49/450244449.db2.gz MLXHGNYZMMCGRH-QGZVFWFLSA-N 1 3 336.455 1.993 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904867 450370120 /nfs/dbraw/zinc/37/01/20/450370120.db2.gz QYPVNIKDVMLHSA-HZPDHXFCSA-N 1 3 325.522 1.804 20 0 EDADHO CC[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000620903602 450558059 /nfs/dbraw/zinc/55/80/59/450558059.db2.gz XEBCTXLWWVBBIZ-QFBILLFUSA-N 1 3 344.503 1.647 20 0 EDADHO CC(C)[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCN1 ZINC000621160105 450607447 /nfs/dbraw/zinc/60/74/47/450607447.db2.gz YZJOALUCKSBAKB-JKSUJKDBSA-N 1 3 325.522 1.660 20 0 EDADHO CN(C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069737 450620819 /nfs/dbraw/zinc/62/08/19/450620819.db2.gz QXHUITIMPILUTN-MJGOQNOKSA-N 1 3 331.460 1.203 20 0 EDADHO CN(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069737 450620824 /nfs/dbraw/zinc/62/08/24/450620824.db2.gz QXHUITIMPILUTN-MJGOQNOKSA-N 1 3 331.460 1.203 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332496 450654401 /nfs/dbraw/zinc/65/44/01/450654401.db2.gz BHTOVMXJJBFLQS-BZUAXINKSA-N 1 3 338.496 1.014 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081831 450668182 /nfs/dbraw/zinc/66/81/82/450668182.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000633081831 450668186 /nfs/dbraw/zinc/66/81/86/450668186.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 1 3 330.476 1.963 20 0 EDADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629522115 450724715 /nfs/dbraw/zinc/72/47/15/450724715.db2.gz VJNGZRSBXAHZIX-CYBMUJFWSA-N 1 3 341.477 1.607 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000631709419 450725499 /nfs/dbraw/zinc/72/54/99/450725499.db2.gz KSNVCECCLGSMAG-CQSZACIVSA-N 1 3 343.493 1.217 20 0 EDADHO NCc1cn([C@@H]2CC[N@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844793 450814459 /nfs/dbraw/zinc/81/44/59/450814459.db2.gz MOFFHTOQNMQSFI-CYBMUJFWSA-N 1 3 328.445 1.836 20 0 EDADHO NCc1cn([C@@H]2CC[N@@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844793 450814465 /nfs/dbraw/zinc/81/44/65/450814465.db2.gz MOFFHTOQNMQSFI-CYBMUJFWSA-N 1 3 328.445 1.836 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000632008155 450962723 /nfs/dbraw/zinc/96/27/23/450962723.db2.gz IOYYVPLSMLNCPI-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000632008155 450962725 /nfs/dbraw/zinc/96/27/25/450962725.db2.gz IOYYVPLSMLNCPI-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO CCN1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026766 450979146 /nfs/dbraw/zinc/97/91/46/450979146.db2.gz LWFFAQYZAQJSRT-CVEARBPZSA-N 1 3 331.526 1.464 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627022996 451086679 /nfs/dbraw/zinc/08/66/79/451086679.db2.gz GYOURDLPTVGNMS-OKZBNKHCSA-N 1 3 330.476 1.948 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000627038525 451095215 /nfs/dbraw/zinc/09/52/15/451095215.db2.gz JXFHQUUYBZCPSS-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO CN(C(=O)[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635551751 451047868 /nfs/dbraw/zinc/04/78/68/451047868.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 1 3 348.535 1.630 20 0 EDADHO CN(C(=O)[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000635551751 451047870 /nfs/dbraw/zinc/04/78/70/451047870.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 1 3 348.535 1.630 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000627070326 451110349 /nfs/dbraw/zinc/11/03/49/451110349.db2.gz ABWLGNMZHXMEKF-MRXNPFEDSA-N 1 3 334.464 1.617 20 0 EDADHO NC[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000627083525 451117164 /nfs/dbraw/zinc/11/71/64/451117164.db2.gz UXIKVHKBXRDPJE-KRWDZBQOSA-N 1 3 342.443 1.647 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000632209335 451117842 /nfs/dbraw/zinc/11/78/42/451117842.db2.gz FIKYMLVRZJFLEG-XMTFNYHQSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000632209335 451117844 /nfs/dbraw/zinc/11/78/44/451117844.db2.gz FIKYMLVRZJFLEG-XMTFNYHQSA-N 1 3 336.524 1.201 20 0 EDADHO [NH3+]C1(CNC(=O)N2CCN(CC3CCCCC3)CC2)CCOCC1 ZINC000627154035 451151919 /nfs/dbraw/zinc/15/19/19/451151919.db2.gz DGYFNVOUPDSQHV-UHFFFAOYSA-N 1 3 338.496 1.402 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NCc3cnc4ccccc4n3)C2)CC1 ZINC000628214091 451184745 /nfs/dbraw/zinc/18/47/45/451184745.db2.gz KECPRJKTRZJQMW-HNNXBMFYSA-N 1 3 325.460 1.888 20 0 EDADHO Cc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000638083716 451247437 /nfs/dbraw/zinc/24/74/37/451247437.db2.gz BREDWIFNCXIBRP-SFHVURJKSA-N 1 3 330.476 1.153 20 0 EDADHO CC(C)(C)[C@@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCN(Cc2ccccc2)C1 ZINC000638096207 451260585 /nfs/dbraw/zinc/26/05/85/451260585.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 1 3 332.488 1.962 20 0 EDADHO CC(C)(C)[C@@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCN(Cc2ccccc2)C1 ZINC000638096207 451260588 /nfs/dbraw/zinc/26/05/88/451260588.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 1 3 332.488 1.962 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638101073 451267038 /nfs/dbraw/zinc/26/70/38/451267038.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638101073 451267044 /nfs/dbraw/zinc/26/70/44/451267044.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 1 3 346.519 1.825 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136513 451309069 /nfs/dbraw/zinc/30/90/69/451309069.db2.gz HVSLABOCNJNAMH-SFHVURJKSA-N 1 3 328.460 1.098 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238658 451374247 /nfs/dbraw/zinc/37/42/47/451374247.db2.gz BVUBYIFOKAWTSZ-RBUKOAKNSA-N 1 3 344.503 1.294 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCC3([NH+](C)C)CC3)ccc2[nH]c1=O ZINC000636036026 451457951 /nfs/dbraw/zinc/45/79/51/451457951.db2.gz XINYOPYBRZOMLT-UHFFFAOYSA-N 1 3 345.447 1.128 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357454 451457964 /nfs/dbraw/zinc/45/79/64/451457964.db2.gz MHQWFNXZONWNHM-FZCLSBEQSA-N 1 3 332.492 1.278 20 0 EDADHO CN(CC(=O)N1CCC([N@@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443088 /nfs/dbraw/zinc/44/30/88/451443088.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CN(CC(=O)N1CCC([N@H+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443092 /nfs/dbraw/zinc/44/30/92/451443092.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO COCCc1ncc(C[NH2+]CCN2CCN(C)C(C)(C)C2)s1 ZINC000631128111 451598676 /nfs/dbraw/zinc/59/86/76/451598676.db2.gz VUKLZNBRDPKBCQ-UHFFFAOYSA-N 1 3 326.510 1.448 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717124 451664034 /nfs/dbraw/zinc/66/40/34/451664034.db2.gz FTUZJONYIJVQAU-CJNGLKHVSA-N 1 3 326.448 1.302 20 0 EDADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638672413 451643859 /nfs/dbraw/zinc/64/38/59/451643859.db2.gz YGKKTOQXTBKVAW-CQSZACIVSA-N 1 3 329.322 1.649 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H](C)O1 ZINC000632978446 451675389 /nfs/dbraw/zinc/67/53/89/451675389.db2.gz GEDJUSLBTXLHHR-KEYYUXOJSA-N 1 3 338.496 1.410 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844015 451708684 /nfs/dbraw/zinc/70/86/84/451708684.db2.gz VJJMUZQSMWPDDH-VQIMIIECSA-N 1 3 331.460 1.481 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000638727135 451667741 /nfs/dbraw/zinc/66/77/41/451667741.db2.gz FKWPKXFJHJDDBP-AWEZNQCLSA-N 1 3 345.434 1.335 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639063388 451760166 /nfs/dbraw/zinc/76/01/66/451760166.db2.gz CUVMOPOILDIFOE-MRXNPFEDSA-N 1 3 349.475 1.451 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)[C@]12CCCO2 ZINC000639116228 451771226 /nfs/dbraw/zinc/77/12/26/451771226.db2.gz CPDDZWHQNOCGAN-XMTFNYHQSA-N 1 3 326.481 1.804 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)[C@]12CCCO2 ZINC000639116228 451771227 /nfs/dbraw/zinc/77/12/27/451771227.db2.gz CPDDZWHQNOCGAN-XMTFNYHQSA-N 1 3 326.481 1.804 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccco2)C1 ZINC000637264031 451773987 /nfs/dbraw/zinc/77/39/87/451773987.db2.gz JORXSYFQLBEYQJ-HNNXBMFYSA-N 1 3 336.480 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(Cc2ccco2)C1 ZINC000637264031 451773990 /nfs/dbraw/zinc/77/39/90/451773990.db2.gz JORXSYFQLBEYQJ-HNNXBMFYSA-N 1 3 336.480 1.736 20 0 EDADHO CN1CCN(CC2CC[NH+](CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000639171115 451784264 /nfs/dbraw/zinc/78/42/64/451784264.db2.gz RAXHZWNWWDLDKI-UHFFFAOYSA-N 1 3 338.540 1.057 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000644575220 451869813 /nfs/dbraw/zinc/86/98/13/451869813.db2.gz XTSXYBJIOICZIJ-IAOVAPTHSA-N 1 3 335.448 1.457 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000644575220 451869817 /nfs/dbraw/zinc/86/98/17/451869817.db2.gz XTSXYBJIOICZIJ-IAOVAPTHSA-N 1 3 335.448 1.457 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000653417674 451929115 /nfs/dbraw/zinc/92/91/15/451929115.db2.gz SILQLFYXHAJYLG-OAHLLOKOSA-N 1 3 334.468 1.537 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CCN(C)C1 ZINC000649288579 451961721 /nfs/dbraw/zinc/96/17/21/451961721.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CCN(C)C1 ZINC000649288579 451961724 /nfs/dbraw/zinc/96/17/24/451961724.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CCN(C)C ZINC000637601671 451966487 /nfs/dbraw/zinc/96/64/87/451966487.db2.gz BOBFCSLLQVVMCK-WMZOPIPTSA-N 1 3 332.492 1.958 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CCN(C)C ZINC000637601671 451966491 /nfs/dbraw/zinc/96/64/91/451966491.db2.gz BOBFCSLLQVVMCK-WMZOPIPTSA-N 1 3 332.492 1.958 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1OCCN(C)C ZINC000649301972 451978982 /nfs/dbraw/zinc/97/89/82/451978982.db2.gz CVRTUGPVSUJTDV-JKSUJKDBSA-N 1 3 349.475 1.627 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1Cl ZINC000649305931 451983765 /nfs/dbraw/zinc/98/37/65/451983765.db2.gz MFPBIKPNHUTQOV-LBPRGKRZSA-N 1 3 341.839 1.455 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000649311869 451989346 /nfs/dbraw/zinc/98/93/46/451989346.db2.gz XWGLHRLZOJSERJ-YJBOKZPZSA-N 1 3 330.476 1.545 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000649330073 452011950 /nfs/dbraw/zinc/01/19/50/452011950.db2.gz UXWGQPLXQAMQMG-AEFFLSMTSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000649330073 452011959 /nfs/dbraw/zinc/01/19/59/452011959.db2.gz UXWGQPLXQAMQMG-AEFFLSMTSA-N 1 3 345.487 1.876 20 0 EDADHO CN1CCN(CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000649349861 452033153 /nfs/dbraw/zinc/03/31/53/452033153.db2.gz ZYDVYEPCNQHAAN-KRWDZBQOSA-N 1 3 332.492 1.466 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363802 452043256 /nfs/dbraw/zinc/04/32/56/452043256.db2.gz ODXZUBQYRRJUOS-ROUUACIJSA-N 1 3 336.524 1.252 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000639761141 452099413 /nfs/dbraw/zinc/09/94/13/452099413.db2.gz DMMKFSFTFDOVCW-UHFFFAOYSA-N 1 3 327.472 1.989 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846853 452113227 /nfs/dbraw/zinc/11/32/27/452113227.db2.gz YPSUHGXUUBIEIS-ROUUACIJSA-N 1 3 332.492 1.470 20 0 EDADHO C[NH+](C)CC1CCC(NCc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647196250 452119784 /nfs/dbraw/zinc/11/97/84/452119784.db2.gz USOGNIIMMJVSDL-UHFFFAOYSA-N 1 3 343.468 1.683 20 0 EDADHO CC(C)[NH+](CCNC(=O)N1CCOC2(CCN(C)CC2)C1)C(C)C ZINC000645108220 452155657 /nfs/dbraw/zinc/15/56/57/452155657.db2.gz VONAPYRSXLGZPW-UHFFFAOYSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639876338 452213932 /nfs/dbraw/zinc/21/39/32/452213932.db2.gz DIWWAXAXYDHJFQ-SJORKVTESA-N 1 3 325.497 1.017 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000639876338 452213935 /nfs/dbraw/zinc/21/39/35/452213935.db2.gz DIWWAXAXYDHJFQ-SJORKVTESA-N 1 3 325.497 1.017 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000659428123 452271440 /nfs/dbraw/zinc/27/14/40/452271440.db2.gz XCOVZSMJIQEKKG-PBHICJAKSA-N 1 3 334.464 1.739 20 0 EDADHO COC[C@@]1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812421 452293983 /nfs/dbraw/zinc/29/39/83/452293983.db2.gz HFBVOHPZMALKCJ-KRWDZBQOSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000659450086 452299244 /nfs/dbraw/zinc/29/92/44/452299244.db2.gz GUFUGWXQOAYLHV-CQSZACIVSA-N 1 3 334.464 1.050 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCCN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652121755 452317847 /nfs/dbraw/zinc/31/78/47/452317847.db2.gz UVCXDXZNMIKGSQ-QZTJIDSGSA-N 1 3 348.491 1.514 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467242 452324231 /nfs/dbraw/zinc/32/42/31/452324231.db2.gz VIWXACCTPFTIGM-VDHUWJSZSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659467242 452324239 /nfs/dbraw/zinc/32/42/39/452324239.db2.gz VIWXACCTPFTIGM-VDHUWJSZSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638054251 452333907 /nfs/dbraw/zinc/33/39/07/452333907.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638054251 452333914 /nfs/dbraw/zinc/33/39/14/452333914.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 1 3 346.519 1.826 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000665761871 452334926 /nfs/dbraw/zinc/33/49/26/452334926.db2.gz SEDDHUQPKCUUGD-AWEZNQCLSA-N 1 3 349.479 1.127 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000665761871 452334934 /nfs/dbraw/zinc/33/49/34/452334934.db2.gz SEDDHUQPKCUUGD-AWEZNQCLSA-N 1 3 349.479 1.127 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C[C@H]1C[NH3+] ZINC000652141469 452336212 /nfs/dbraw/zinc/33/62/12/452336212.db2.gz QMXGGEDFONUZGX-FGTMMUONSA-N 1 3 348.491 1.603 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCc1nccs1 ZINC000665761023 452336295 /nfs/dbraw/zinc/33/62/95/452336295.db2.gz VHAYAJMDHAQHKR-AWEZNQCLSA-N 1 3 341.525 1.599 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCc1nccs1 ZINC000665761023 452336307 /nfs/dbraw/zinc/33/63/07/452336307.db2.gz VHAYAJMDHAQHKR-AWEZNQCLSA-N 1 3 341.525 1.599 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC(C(F)F)CC1 ZINC000665760996 452336428 /nfs/dbraw/zinc/33/64/28/452336428.db2.gz UNYWNHZSUDURHX-ZDUSSCGKSA-N 1 3 334.455 1.945 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC(C(F)F)CC1 ZINC000665760996 452336438 /nfs/dbraw/zinc/33/64/38/452336438.db2.gz UNYWNHZSUDURHX-ZDUSSCGKSA-N 1 3 334.455 1.945 20 0 EDADHO CC1CCN(CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663629126 452367631 /nfs/dbraw/zinc/36/76/31/452367631.db2.gz JRTFXMSCURIHDD-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659554388 452411485 /nfs/dbraw/zinc/41/14/85/452411485.db2.gz MQZHWIZLCCLWES-ROUUACIJSA-N 1 3 345.491 1.720 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659555478 452412355 /nfs/dbraw/zinc/41/23/55/452412355.db2.gz LWLNFYNCFXSOCN-LSDHHAIUSA-N 1 3 333.480 1.719 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654382490 452434188 /nfs/dbraw/zinc/43/41/88/452434188.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654382490 452434192 /nfs/dbraw/zinc/43/41/92/452434192.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659620157 452476406 /nfs/dbraw/zinc/47/64/06/452476406.db2.gz ICKPQBFIQIPYPQ-ZWKOTPCHSA-N 1 3 348.491 1.426 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505850 /nfs/dbraw/zinc/50/58/50/452505850.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505862 /nfs/dbraw/zinc/50/58/62/452505862.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 1 3 346.475 1.147 20 0 EDADHO C[NH2+]CC1CCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000652336005 452506110 /nfs/dbraw/zinc/50/61/10/452506110.db2.gz XPGORGXNHHRQRE-UHFFFAOYSA-N 1 3 337.489 1.559 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCOCC1 ZINC000654443832 452506617 /nfs/dbraw/zinc/50/66/17/452506617.db2.gz BKKGDUZEMRKJOC-CVEARBPZSA-N 1 3 338.496 1.413 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646705 452508151 /nfs/dbraw/zinc/50/81/51/452508151.db2.gz PRUDLBLADIEFNS-RDJZCZTQSA-N 1 3 333.480 1.685 20 0 EDADHO CC(C)CN(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361564 452540829 /nfs/dbraw/zinc/54/08/29/452540829.db2.gz KGQGEACELYOKCH-KBAYOESNSA-N 1 3 337.508 1.994 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)N(C)Cc1ccccc1 ZINC000659679107 452551098 /nfs/dbraw/zinc/55/10/98/452551098.db2.gz RNVKYSXGFXMOIS-HNNXBMFYSA-N 1 3 346.475 1.011 20 0 EDADHO COc1cc(NC(=O)CCN(C)CCC[NH3+])cc(OC)c1OC ZINC000647848047 452582929 /nfs/dbraw/zinc/58/29/29/452582929.db2.gz ASYHWNSTNTUNAL-UHFFFAOYSA-N 1 3 325.409 1.322 20 0 EDADHO CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000666131784 452629822 /nfs/dbraw/zinc/62/98/22/452629822.db2.gz JIROHQXBYAWRCK-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000666131784 452629826 /nfs/dbraw/zinc/62/98/26/452629826.db2.gz JIROHQXBYAWRCK-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655912591 452670432 /nfs/dbraw/zinc/67/04/32/452670432.db2.gz WLHXCUHBZXLMGI-CYBMUJFWSA-N 1 3 348.369 1.316 20 0 EDADHO NC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926845 452692885 /nfs/dbraw/zinc/69/28/85/452692885.db2.gz GTRIFASDKRXPPB-STQMWFEESA-N 1 3 336.402 1.972 20 0 EDADHO NC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(F)(F)F ZINC000655926845 452692889 /nfs/dbraw/zinc/69/28/89/452692889.db2.gz GTRIFASDKRXPPB-STQMWFEESA-N 1 3 336.402 1.972 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927154 452696271 /nfs/dbraw/zinc/69/62/71/452696271.db2.gz GNJLMNWUDWBNFX-AVGNSLFASA-N 1 3 330.354 1.621 20 0 EDADHO Cc1c(N(C)C[C@@H]2CCCN2C)ncnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000664029265 452729164 /nfs/dbraw/zinc/72/91/64/452729164.db2.gz MFCWCBIBNWGORC-IRXDYDNUSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1c(N(C)C[C@@H]2CCCN2C)ncnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000664029265 452729167 /nfs/dbraw/zinc/72/91/67/452729167.db2.gz MFCWCBIBNWGORC-IRXDYDNUSA-N 1 3 346.523 1.846 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661981313 452734450 /nfs/dbraw/zinc/73/44/50/452734450.db2.gz PBTCTFWKUIQTTB-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661981313 452734458 /nfs/dbraw/zinc/73/44/58/452734458.db2.gz PBTCTFWKUIQTTB-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655958483 452738223 /nfs/dbraw/zinc/73/82/23/452738223.db2.gz LBDVVYGPHODTGS-HZPDHXFCSA-N 1 3 330.432 1.217 20 0 EDADHO COCC1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966602 452748253 /nfs/dbraw/zinc/74/82/53/452748253.db2.gz BKGVGVNUYXAZCJ-CVEARBPZSA-N 1 3 338.496 1.319 20 0 EDADHO c1cc2n(n1)C[C@@H](CN1C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766064 /nfs/dbraw/zinc/76/60/64/452766064.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 1 3 337.471 1.989 20 0 EDADHO c1cc2n(n1)C[C@@H](CN1C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766088 /nfs/dbraw/zinc/76/60/88/452766088.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 1 3 337.471 1.989 20 0 EDADHO COC1CCN(CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000656010064 452798339 /nfs/dbraw/zinc/79/83/39/452798339.db2.gz RIGROZBIOMAOJN-UHFFFAOYSA-N 1 3 340.512 1.663 20 0 EDADHO COC[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000648127090 452842594 /nfs/dbraw/zinc/84/25/94/452842594.db2.gz FYHMQMXIFVVSOD-MJGOQNOKSA-N 1 3 327.428 1.724 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846699 452847229 /nfs/dbraw/zinc/84/72/29/452847229.db2.gz UIESJWQXAPLNLN-GOEBONIOSA-N 1 3 344.459 1.320 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846699 452847238 /nfs/dbraw/zinc/84/72/38/452847238.db2.gz UIESJWQXAPLNLN-GOEBONIOSA-N 1 3 344.459 1.320 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000648165142 452876266 /nfs/dbraw/zinc/87/62/66/452876266.db2.gz JTHHCIDGUJZDSF-PIIMJCKOSA-N 1 3 328.460 1.621 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000648178084 452889999 /nfs/dbraw/zinc/88/99/99/452889999.db2.gz PQUQBVKTXBJPLT-KSZLIROESA-N 1 3 331.460 1.301 20 0 EDADHO COCC[NH2+]C1CCN(Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000650705524 452942751 /nfs/dbraw/zinc/94/27/51/452942751.db2.gz KJNRYGSWZLMMLM-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706303 452943287 /nfs/dbraw/zinc/94/32/87/452943287.db2.gz IEHLYFHTTFINCF-JZXOWHBKSA-N 1 3 343.475 1.995 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000645966683 452949475 /nfs/dbraw/zinc/94/94/75/452949475.db2.gz KRAZHCCFLBJVJR-QAPCUYQASA-N 1 3 331.460 1.775 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000656198166 452955444 /nfs/dbraw/zinc/95/54/44/452955444.db2.gz IJGHNFCOZIEHMD-YDZRNGNQSA-N 1 3 342.487 1.445 20 0 EDADHO O=c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000662290025 453014044 /nfs/dbraw/zinc/01/40/44/453014044.db2.gz FOZPDHFVVZRFAF-MRXNPFEDSA-N 1 3 326.444 1.906 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662291778 453014930 /nfs/dbraw/zinc/01/49/30/453014930.db2.gz KGDDAYZBJNXXJP-FUHWJXTLSA-N 1 3 336.524 1.251 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291088 453015010 /nfs/dbraw/zinc/01/50/10/453015010.db2.gz OSCZRPFMQCHIMK-RDJZCZTQSA-N 1 3 325.497 1.629 20 0 EDADHO [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)NC1CCN(C2CC2)CC1 ZINC000662306088 453026928 /nfs/dbraw/zinc/02/69/28/453026928.db2.gz XERQCODEJDGRKM-GOSISDBHSA-N 1 3 342.487 1.510 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640983 453031178 /nfs/dbraw/zinc/03/11/78/453031178.db2.gz UHMMSYFQSQOEMZ-RDJZCZTQSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640983 453031184 /nfs/dbraw/zinc/03/11/84/453031184.db2.gz UHMMSYFQSQOEMZ-RDJZCZTQSA-N 1 3 333.501 1.974 20 0 EDADHO CC[NH+](CC)CCCN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662337016 453053866 /nfs/dbraw/zinc/05/38/66/453053866.db2.gz ICSMRCVZOHIURE-KRWDZBQOSA-N 1 3 348.539 1.731 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000664406106 453067558 /nfs/dbraw/zinc/06/75/58/453067558.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 1 3 339.528 1.040 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000662387727 453096712 /nfs/dbraw/zinc/09/67/12/453096712.db2.gz LWFCQALUZXYRGN-GOSISDBHSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000662454983 453162517 /nfs/dbraw/zinc/16/25/17/453162517.db2.gz SDIRJOQOBMPRCU-GDBMZVCRSA-N 1 3 341.459 1.737 20 0 EDADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648702308 453195768 /nfs/dbraw/zinc/19/57/68/453195768.db2.gz WGFMSPFTELZXQZ-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO CN(C)CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648702308 453195779 /nfs/dbraw/zinc/19/57/79/453195779.db2.gz WGFMSPFTELZXQZ-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655073833 453197290 /nfs/dbraw/zinc/19/72/90/453197290.db2.gz GLERMLKLSBLNES-XLIONFOSSA-N 1 3 343.471 1.081 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655073833 453197299 /nfs/dbraw/zinc/19/72/99/453197299.db2.gz GLERMLKLSBLNES-XLIONFOSSA-N 1 3 343.471 1.081 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655121725 453239174 /nfs/dbraw/zinc/23/91/74/453239174.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655121725 453239181 /nfs/dbraw/zinc/23/91/81/453239181.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653108442 453291281 /nfs/dbraw/zinc/29/12/81/453291281.db2.gz XTDALNNAAROOEM-SFHVURJKSA-N 1 3 332.492 1.355 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653110469 453296001 /nfs/dbraw/zinc/29/60/01/453296001.db2.gz JLEGCLGSFFTSRO-MRXNPFEDSA-N 1 3 331.460 1.972 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000662636309 453350889 /nfs/dbraw/zinc/35/08/89/453350889.db2.gz BMBPJNVFRTUWJK-QZTJIDSGSA-N 1 3 330.476 1.927 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000662659559 453373589 /nfs/dbraw/zinc/37/35/89/453373589.db2.gz SLRZWBIKYFCAPC-KRWDZBQOSA-N 1 3 331.460 1.140 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000662659559 453373600 /nfs/dbraw/zinc/37/36/00/453373600.db2.gz SLRZWBIKYFCAPC-KRWDZBQOSA-N 1 3 331.460 1.140 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000662687127 453408779 /nfs/dbraw/zinc/40/87/79/453408779.db2.gz UBCQKTQVRUCPHF-DYVFJYSZSA-N 1 3 341.415 1.400 20 0 EDADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662802322 453537158 /nfs/dbraw/zinc/53/71/58/453537158.db2.gz NLWJCNJNKNXRNS-ROUUACIJSA-N 1 3 346.475 1.519 20 0 EDADHO CC[C@]1(C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857896 453574226 /nfs/dbraw/zinc/57/42/26/453574226.db2.gz CRNDLRSCVHZTQU-IEBWSBKVSA-N 1 3 331.460 1.402 20 0 EDADHO C1CC2(C1)[C@H](N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665273618 453633336 /nfs/dbraw/zinc/63/33/36/453633336.db2.gz AGSMMAGVXLNBFO-NTZUZEMLSA-N 1 3 349.519 1.377 20 0 EDADHO CC(C)([NH3+])CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013223 453647195 /nfs/dbraw/zinc/64/71/95/453647195.db2.gz BMCMMUCDAUUZTK-AWEZNQCLSA-N 1 3 348.495 1.043 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556557 453749300 /nfs/dbraw/zinc/74/93/00/453749300.db2.gz ZKTXNMDGAYSTOE-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556557 453749301 /nfs/dbraw/zinc/74/93/01/453749301.db2.gz ZKTXNMDGAYSTOE-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000657309923 453764067 /nfs/dbraw/zinc/76/40/67/453764067.db2.gz JWHPGBHEQTUAJV-MRXNPFEDSA-N 1 3 328.464 1.383 20 0 EDADHO Cn1ncc(C2CC2)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000657337729 453769327 /nfs/dbraw/zinc/76/93/27/453769327.db2.gz IBIRMKFVSPPJHP-UHFFFAOYSA-N 1 3 331.508 1.946 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940342 486687814 /nfs/dbraw/zinc/68/78/14/486687814.db2.gz CKEAFYNRJALPBS-OALUTQOASA-N 1 3 345.487 1.783 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415658649 486766109 /nfs/dbraw/zinc/76/61/09/486766109.db2.gz VQWSICZDLCWKBR-CABCVRRESA-N 1 3 332.448 1.115 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cnn1C ZINC000667436576 486781130 /nfs/dbraw/zinc/78/11/30/486781130.db2.gz JCRWUAYBLHVCHN-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1c(C)cnn1C ZINC000667436576 486781134 /nfs/dbraw/zinc/78/11/34/486781134.db2.gz JCRWUAYBLHVCHN-HNNXBMFYSA-N 1 3 336.484 1.608 20 0 EDADHO CN1CCN(C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667754225 486950862 /nfs/dbraw/zinc/95/08/62/486950862.db2.gz PKQHVIRSBNRFDG-UHFFFAOYSA-N 1 3 345.491 1.480 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000667812455 486976787 /nfs/dbraw/zinc/97/67/87/486976787.db2.gz NCYJOJSHRHGJLP-CABCVRRESA-N 1 3 348.495 1.099 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC000667812455 486976790 /nfs/dbraw/zinc/97/67/90/486976790.db2.gz NCYJOJSHRHGJLP-CABCVRRESA-N 1 3 348.495 1.099 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000667811229 486977178 /nfs/dbraw/zinc/97/71/78/486977178.db2.gz GXEQUPCLWBRISN-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000667811229 486977182 /nfs/dbraw/zinc/97/71/82/486977182.db2.gz GXEQUPCLWBRISN-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000678635078 487346079 /nfs/dbraw/zinc/34/60/79/487346079.db2.gz BHGCKBZQQZZOIY-SJORKVTESA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000675487081 487413149 /nfs/dbraw/zinc/41/31/49/487413149.db2.gz USOAXCQOMAGQDA-UHFFFAOYSA-N 1 3 345.487 1.904 20 0 EDADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675575031 487424882 /nfs/dbraw/zinc/42/48/82/487424882.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675575031 487424884 /nfs/dbraw/zinc/42/48/84/487424884.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1cccn1C1CC[NH2+]CC1 ZINC000669513387 485478564 /nfs/dbraw/zinc/47/85/64/485478564.db2.gz JOTFSNDXPSYIIB-UHFFFAOYSA-N 1 3 325.416 1.706 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc4n3CCC4)CC2)CC1 ZINC000668244519 485506917 /nfs/dbraw/zinc/50/69/17/485506917.db2.gz DKOSUOSHPKTJIN-UHFFFAOYSA-N 1 3 331.508 1.821 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3cnc4n3CCC4)CC2)CC1 ZINC000668244519 485506930 /nfs/dbraw/zinc/50/69/30/485506930.db2.gz DKOSUOSHPKTJIN-UHFFFAOYSA-N 1 3 331.508 1.821 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4n3CCC4)CC2)CC1 ZINC000668244519 485506939 /nfs/dbraw/zinc/50/69/39/485506939.db2.gz DKOSUOSHPKTJIN-UHFFFAOYSA-N 1 3 331.508 1.821 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561091 485568222 /nfs/dbraw/zinc/56/82/22/485568222.db2.gz FYXVOBNSWSRUDW-ONIAQPFYSA-N 1 3 346.475 1.265 20 0 EDADHO O=C(NCC1=CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000668516961 485835727 /nfs/dbraw/zinc/83/57/27/485835727.db2.gz GYZYZADISQMYSF-UHFFFAOYSA-N 1 3 328.460 1.870 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389599 486025866 /nfs/dbraw/zinc/02/58/66/486025866.db2.gz DFZVKJMZOGEWEO-GJZGRUSLSA-N 1 3 340.537 1.727 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000669422800 486144272 /nfs/dbraw/zinc/14/42/72/486144272.db2.gz WJDXYSCHIYNSMJ-AWEZNQCLSA-N 1 3 334.464 1.554 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000669426211 486147168 /nfs/dbraw/zinc/14/71/68/486147168.db2.gz CHEDPMOFAQZIIL-OAHLLOKOSA-N 1 3 334.464 1.507 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192467275 491005001 /nfs/dbraw/zinc/00/50/01/491005001.db2.gz RCKRTDNSIUMUCF-HDICACEKSA-N 1 3 342.487 1.462 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192467275 491005002 /nfs/dbraw/zinc/00/50/02/491005002.db2.gz RCKRTDNSIUMUCF-HDICACEKSA-N 1 3 342.487 1.462 20 0 EDADHO C[NH+](C)CCOc1cccc(-c2cnc(N3CCNCC3)nc2)c1 ZINC000630052820 491015104 /nfs/dbraw/zinc/01/51/04/491015104.db2.gz WSYUNIQUZFREIE-UHFFFAOYSA-N 1 3 327.432 1.494 20 0 EDADHO CC(C)NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304638 529120212 /nfs/dbraw/zinc/12/02/12/529120212.db2.gz MOXNHYDYVGBCRF-IYBDPMFKSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000345547852 535322010 /nfs/dbraw/zinc/32/20/10/535322010.db2.gz CMPDRQNCKBADOV-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000346921018 535330649 /nfs/dbraw/zinc/33/06/49/535330649.db2.gz VJNVKFLSNAYTTK-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CN(C)CCN1C[C@@H](c2nc(-c3ccc(C[NH3+])cc3)no2)CC1=O ZINC000261923380 535880868 /nfs/dbraw/zinc/88/08/68/535880868.db2.gz BXDVJBZLIIIPAC-AWEZNQCLSA-N 1 3 329.404 1.073 20 0 EDADHO CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261751799 535976675 /nfs/dbraw/zinc/97/66/75/535976675.db2.gz HIXBPXJYYHVVOY-KRWDZBQOSA-N 1 3 344.503 1.937 20 0 EDADHO CN(C)Cc1ccc(-c2noc(CCNC(=O)[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000261795942 535993928 /nfs/dbraw/zinc/99/39/28/535993928.db2.gz OVJUXIYUHLXYOU-HNNXBMFYSA-N 1 3 343.431 1.209 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1ccc(N(C)C)cc1 ZINC000730546579 578651785 /nfs/dbraw/zinc/65/17/85/578651785.db2.gz FLZCZBIDLXSDLH-MOPGFXCFSA-N 1 3 346.519 1.808 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824509 579564356 /nfs/dbraw/zinc/56/43/56/579564356.db2.gz JNEOCOFLXZZTGE-HYVNUMGLSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824509 579564358 /nfs/dbraw/zinc/56/43/58/579564358.db2.gz JNEOCOFLXZZTGE-HYVNUMGLSA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)c1cc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000755234419 579923362 /nfs/dbraw/zinc/92/33/62/579923362.db2.gz AIJHBRYRSFSNDW-UHFFFAOYSA-N 1 3 345.535 1.997 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nnc3ccccn32)[C@@H](C)C1 ZINC000764639574 580125369 /nfs/dbraw/zinc/12/53/69/580125369.db2.gz QIXGELMCNTYBFI-IRXDYDNUSA-N 1 3 345.491 1.998 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCc2nnc3ccccn32)[C@@H](C)C1 ZINC000764639574 580125370 /nfs/dbraw/zinc/12/53/70/580125370.db2.gz QIXGELMCNTYBFI-IRXDYDNUSA-N 1 3 345.491 1.998 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=S)NCCC[NH+](C)C ZINC000764931545 580131536 /nfs/dbraw/zinc/13/15/36/580131536.db2.gz PYAXPZAIRISDFG-RDJZCZTQSA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000773002918 580325061 /nfs/dbraw/zinc/32/50/61/580325061.db2.gz AQNCOAPZESMZGR-RDJZCZTQSA-N 1 3 333.476 1.883 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748197 580532885 /nfs/dbraw/zinc/53/28/85/580532885.db2.gz KQXXZONUUJBXAO-DLBZAZTESA-N 1 3 338.496 1.737 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748197 580532886 /nfs/dbraw/zinc/53/28/86/580532886.db2.gz KQXXZONUUJBXAO-DLBZAZTESA-N 1 3 338.496 1.737 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855285 590656406 /nfs/dbraw/zinc/65/64/06/590656406.db2.gz IHQCOJAVIIWOJK-MRXNPFEDSA-N 1 3 328.501 1.648 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856007 590657269 /nfs/dbraw/zinc/65/72/69/590657269.db2.gz NPDQDYSDQVAQNY-OAHLLOKOSA-N 1 3 326.485 1.448 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000891875229 590665379 /nfs/dbraw/zinc/66/53/79/590665379.db2.gz UEGBFFPFQADQJT-LNLFQRSKSA-N 1 3 330.476 1.935 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000892163275 590834251 /nfs/dbraw/zinc/83/42/51/590834251.db2.gz LYXMYCBKRQZUKD-CVEARBPZSA-N 1 3 331.464 1.834 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1ccncc1 ZINC000892188731 590855004 /nfs/dbraw/zinc/85/50/04/590855004.db2.gz SCOIQNJCDREGGZ-YYIAUSFCSA-N 1 3 343.475 1.690 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000892211728 590865997 /nfs/dbraw/zinc/86/59/97/590865997.db2.gz MDBFWCDPNBGBQZ-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000892211728 590866000 /nfs/dbraw/zinc/86/60/00/590866000.db2.gz MDBFWCDPNBGBQZ-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO Cn1nc2c(c1CN1CCC(C)(C[NH+]3CCN(C)CC3)CC1)CCC2 ZINC000893565160 590963583 /nfs/dbraw/zinc/96/35/83/590963583.db2.gz ZDJKGPCGVHZEON-UHFFFAOYSA-N 1 3 345.535 1.758 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342702 590970811 /nfs/dbraw/zinc/97/08/11/590970811.db2.gz MLTGIHDSSUVOOB-KDOFPFPSSA-N 1 3 330.476 1.814 20 0 EDADHO CSc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncn1 ZINC000888946080 590979957 /nfs/dbraw/zinc/97/99/57/590979957.db2.gz UPKVRQJYNIERQA-LBPRGKRZSA-N 1 3 340.497 1.592 20 0 EDADHO CSc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncn1 ZINC000888946080 590979959 /nfs/dbraw/zinc/97/99/59/590979959.db2.gz UPKVRQJYNIERQA-LBPRGKRZSA-N 1 3 340.497 1.592 20 0 EDADHO [NH3+][C@H](CCNC(=O)N1CCNCCC12CCC2)Cc1ccccc1 ZINC000892413748 591018356 /nfs/dbraw/zinc/01/83/56/591018356.db2.gz HZNXPDVRZKEUSY-QGZVFWFLSA-N 1 3 330.476 1.874 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489713 591046749 /nfs/dbraw/zinc/04/67/49/591046749.db2.gz MLOAXMNLSDBPNU-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CC[NH+]1CCC(NCc2cn(Cc3ccccc3)nn2)CC1 ZINC000892542967 591066601 /nfs/dbraw/zinc/06/66/01/591066601.db2.gz UYAFLEWVHHQFOJ-UHFFFAOYSA-N 1 3 342.491 1.442 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892575390 591078040 /nfs/dbraw/zinc/07/80/40/591078040.db2.gz VFNASOVUWCZRKH-OAGGEKHMSA-N 1 3 329.460 1.236 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892602325 591090213 /nfs/dbraw/zinc/09/02/13/591090213.db2.gz ZFGGSZDXMJIWLK-MUJYYYPQSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557628 591124107 /nfs/dbraw/zinc/12/41/07/591124107.db2.gz UBCBIOPDKIQOJZ-KSZLIROESA-N 1 3 328.460 1.797 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576695 591133175 /nfs/dbraw/zinc/13/31/75/591133175.db2.gz NGIGUWPKCUDJCI-AGIUHOORSA-N 1 3 334.386 1.249 20 0 EDADHO COCc1nccc(NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000892695133 591135768 /nfs/dbraw/zinc/13/57/68/591135768.db2.gz GISFRJZILBHHEZ-UHFFFAOYSA-N 1 3 333.480 1.985 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000893985027 591160425 /nfs/dbraw/zinc/16/04/25/591160425.db2.gz BWHVCJQFJLQLIG-INIZCTEOSA-N 1 3 345.491 1.939 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000893985027 591160427 /nfs/dbraw/zinc/16/04/27/591160427.db2.gz BWHVCJQFJLQLIG-INIZCTEOSA-N 1 3 345.491 1.939 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000891672427 591178006 /nfs/dbraw/zinc/17/80/06/591178006.db2.gz ALNWGNOVQCIMIJ-OWLYRPNTSA-N 1 3 328.460 1.795 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892789089 591179333 /nfs/dbraw/zinc/17/93/33/591179333.db2.gz NGTBYOYVLBNEEK-SJORKVTESA-N 1 3 330.476 1.873 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892789089 591179334 /nfs/dbraw/zinc/17/93/34/591179334.db2.gz NGTBYOYVLBNEEK-SJORKVTESA-N 1 3 330.476 1.873 20 0 EDADHO CN1CCN(CC2(C)CCN(C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000892853871 591203249 /nfs/dbraw/zinc/20/32/49/591203249.db2.gz INXKBKNKRHTQAL-UHFFFAOYSA-N 1 3 339.528 1.173 20 0 EDADHO CCN(C(=O)NCc1ccccc1CN1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000891766520 591216801 /nfs/dbraw/zinc/21/68/01/591216801.db2.gz TVLXCQQYGVIGLB-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2csc(C(=O)OC)c2)CC1 ZINC000894237735 591240601 /nfs/dbraw/zinc/24/06/01/591240601.db2.gz NETSKNSCVOTUNA-AWEZNQCLSA-N 1 3 339.505 1.898 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000897420553 591379609 /nfs/dbraw/zinc/37/96/09/591379609.db2.gz BJQHHKVPJMYUAT-UHFFFAOYSA-N 1 3 341.496 1.869 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442781 591454494 /nfs/dbraw/zinc/45/44/94/591454494.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442781 591454498 /nfs/dbraw/zinc/45/44/98/591454498.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 1 3 334.508 1.987 20 0 EDADHO COCCOC[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000894924768 591479114 /nfs/dbraw/zinc/47/91/14/591479114.db2.gz AVAFJLSURAMBAX-KRWDZBQOSA-N 1 3 336.476 1.655 20 0 EDADHO CN(C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897624256 591592243 /nfs/dbraw/zinc/59/22/43/591592243.db2.gz FHFYMIZDDDUPAC-LPHOPBHVSA-N 1 3 331.460 1.714 20 0 EDADHO CN(C)CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897624256 591592245 /nfs/dbraw/zinc/59/22/45/591592245.db2.gz FHFYMIZDDDUPAC-LPHOPBHVSA-N 1 3 331.460 1.714 20 0 EDADHO CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000896749615 591602638 /nfs/dbraw/zinc/60/26/38/591602638.db2.gz UIQGBEIUXPFQQU-MRXNPFEDSA-N 1 3 326.485 1.317 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704089 /nfs/dbraw/zinc/70/40/89/591704089.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704094 /nfs/dbraw/zinc/70/40/94/591704094.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO O=C(Nc1ccc(Nc2ccncc2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000898298704 591863303 /nfs/dbraw/zinc/86/33/03/591863303.db2.gz SODPUGAHZNOOAI-GOSISDBHSA-N 1 3 337.427 1.576 20 0 EDADHO O=C(Nc1ccc(Nc2ccncc2)cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000898298704 591863306 /nfs/dbraw/zinc/86/33/06/591863306.db2.gz SODPUGAHZNOOAI-GOSISDBHSA-N 1 3 337.427 1.576 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900214851 591945265 /nfs/dbraw/zinc/94/52/65/591945265.db2.gz IJXBRBANLTXLOD-LMMKCTJWSA-N 1 3 339.524 1.708 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900260246 591963974 /nfs/dbraw/zinc/96/39/74/591963974.db2.gz AJOGNVNSBXNMNW-FQEVSTJZSA-N 1 3 347.503 1.466 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900260246 591963977 /nfs/dbraw/zinc/96/39/77/591963977.db2.gz AJOGNVNSBXNMNW-FQEVSTJZSA-N 1 3 347.503 1.466 20 0 EDADHO C[C@@H](CCCC[NH3+])N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455403 591999595 /nfs/dbraw/zinc/99/95/95/591999595.db2.gz LTGBAWBRNSMKIN-JOYOIKCWSA-N 1 3 341.253 1.814 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@]2(O)CCCN(C)C2)CC1 ZINC000900523083 592035881 /nfs/dbraw/zinc/03/58/81/592035881.db2.gz YMUFKUSOBKTDDZ-SFHVURJKSA-N 1 3 349.479 1.325 20 0 EDADHO C(c1noc(C2CCC2)n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506071 592181810 /nfs/dbraw/zinc/18/18/10/592181810.db2.gz NRBXNLAMWCTJJW-IYBDPMFKSA-N 1 3 331.464 1.738 20 0 EDADHO C(c1noc(C2CCC2)n1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506071 592181813 /nfs/dbraw/zinc/18/18/13/592181813.db2.gz NRBXNLAMWCTJJW-IYBDPMFKSA-N 1 3 331.464 1.738 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496938 592188191 /nfs/dbraw/zinc/18/81/91/592188191.db2.gz KTJUXNNPYVDJKE-HZMVEIRTSA-N 1 3 325.497 1.615 20 0 EDADHO COC(=O)[C@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507438 592198947 /nfs/dbraw/zinc/19/89/47/592198947.db2.gz ZQIMIPIDTWRDDN-BBWFWOEESA-N 1 3 349.500 1.863 20 0 EDADHO COC(=O)[C@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507438 592198948 /nfs/dbraw/zinc/19/89/48/592198948.db2.gz ZQIMIPIDTWRDDN-BBWFWOEESA-N 1 3 349.500 1.863 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2N)n1 ZINC000904352811 592237094 /nfs/dbraw/zinc/23/70/94/592237094.db2.gz BOUJUSKPQDNMQO-GDBMZVCRSA-N 1 3 328.420 1.191 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656153 592238037 /nfs/dbraw/zinc/23/80/37/592238037.db2.gz QOFMYVWXXQCODQ-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906656153 592238040 /nfs/dbraw/zinc/23/80/40/592238040.db2.gz QOFMYVWXXQCODQ-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cnn1C ZINC000904473877 592268825 /nfs/dbraw/zinc/26/88/25/592268825.db2.gz UXIIVQVZCIEMBH-KURKYZTESA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cnn1C ZINC000904473877 592268831 /nfs/dbraw/zinc/26/88/31/592268831.db2.gz UXIIVQVZCIEMBH-KURKYZTESA-N 1 3 334.508 1.985 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC000904511563 592274919 /nfs/dbraw/zinc/27/49/19/592274919.db2.gz SLTIIIRHHIFQFZ-DLBZAZTESA-N 1 3 332.448 1.469 20 0 EDADHO CC(C)N(C)C(=O)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723023 592284040 /nfs/dbraw/zinc/28/40/40/592284040.db2.gz RZMLMTDPAVULKI-QGZVFWFLSA-N 1 3 337.508 1.724 20 0 EDADHO O=C1C[C@H](c2ccccc2)N(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723327 592284057 /nfs/dbraw/zinc/28/40/57/592284057.db2.gz VGOJZQQKTTYQBA-ZHALLVOQSA-N 1 3 329.444 1.318 20 0 EDADHO CN(Cc1ccccc1N1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732619 592288060 /nfs/dbraw/zinc/28/80/60/592288060.db2.gz FQJXXDWYHVSGPH-UYAOXDASSA-N 1 3 345.487 1.724 20 0 EDADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780507 592320150 /nfs/dbraw/zinc/32/01/50/592320150.db2.gz HUDAELCWDCNXBW-JTTVYXJLSA-N 1 3 332.448 1.857 20 0 EDADHO Cc1nnc([C@H]2CCCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898080 592369878 /nfs/dbraw/zinc/36/98/78/592369878.db2.gz IQSMZVCMDOXXRM-KBPBESRZSA-N 1 3 330.440 1.009 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913974 592376416 /nfs/dbraw/zinc/37/64/16/592376416.db2.gz QYDMDMPSDIUQIU-HOTGVXAUSA-N 1 3 330.480 1.459 20 0 EDADHO COc1ccc(CNC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903927530 592380539 /nfs/dbraw/zinc/38/05/39/592380539.db2.gz ZQSZWHTVLXFFLR-HNNXBMFYSA-N 1 3 332.448 1.653 20 0 EDADHO Cn1ccc(N2CCC[C@H](NCc3cccc4c3CC[NH2+]C4)C2=O)n1 ZINC000903926491 592381009 /nfs/dbraw/zinc/38/10/09/592381009.db2.gz SVWQEYFSIGLWQZ-KRWDZBQOSA-N 1 3 339.443 1.351 20 0 EDADHO CN(CC(=O)Nc1ccc2c(c1)OCCO2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934392 592386075 /nfs/dbraw/zinc/38/60/75/592386075.db2.gz GIJGUFIIWIJIKG-GOOCMWNKSA-N 1 3 345.443 1.859 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057929 592394720 /nfs/dbraw/zinc/39/47/20/592394720.db2.gz BOJSEKLUTAYDJE-YOEHRIQHSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057929 592394723 /nfs/dbraw/zinc/39/47/23/592394723.db2.gz BOJSEKLUTAYDJE-YOEHRIQHSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057929 592394728 /nfs/dbraw/zinc/39/47/28/592394728.db2.gz BOJSEKLUTAYDJE-YOEHRIQHSA-N 1 3 329.444 1.982 20 0 EDADHO Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903979986 592400640 /nfs/dbraw/zinc/40/06/40/592400640.db2.gz BCMLTVSLOQMDOT-GASCZTMLSA-N 1 3 337.899 1.783 20 0 EDADHO Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903979986 592400643 /nfs/dbraw/zinc/40/06/43/592400643.db2.gz BCMLTVSLOQMDOT-GASCZTMLSA-N 1 3 337.899 1.783 20 0 EDADHO Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903979986 592400645 /nfs/dbraw/zinc/40/06/45/592400645.db2.gz BCMLTVSLOQMDOT-GASCZTMLSA-N 1 3 337.899 1.783 20 0 EDADHO C[C@@]1(CNC[C@@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243986 592474468 /nfs/dbraw/zinc/47/44/68/592474468.db2.gz NYPWUBKCHDTZCX-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@@]1(CNC[C@@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243986 592474470 /nfs/dbraw/zinc/47/44/70/592474470.db2.gz NYPWUBKCHDTZCX-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@@H](O)C[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244007 592474842 /nfs/dbraw/zinc/47/48/42/592474842.db2.gz OEIZNTACRZHBOR-ZCNNSNEGSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@@H](O)C[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244007 592474844 /nfs/dbraw/zinc/47/48/44/592474844.db2.gz OEIZNTACRZHBOR-ZCNNSNEGSA-N 1 3 348.487 1.391 20 0 EDADHO C[NH+](C)CCCOC(=O)C1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC000910190876 592791666 /nfs/dbraw/zinc/79/16/66/592791666.db2.gz MVRYKFABLHLVOM-ZDUSSCGKSA-N 1 3 342.436 1.062 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911633224 592970305 /nfs/dbraw/zinc/97/03/05/592970305.db2.gz FHFHQPAOTHLOBL-DGCLKSJQSA-N 1 3 343.393 1.822 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720771 592988058 /nfs/dbraw/zinc/98/80/58/592988058.db2.gz HXIKMCPFXKBLES-QGZVFWFLSA-N 1 3 333.476 1.899 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)C1 ZINC000911775038 593002564 /nfs/dbraw/zinc/00/25/64/593002564.db2.gz PCQXOTVUDWXZRS-RCMYXZNBSA-N 1 3 331.460 1.708 20 0 EDADHO CN(CCCN(C)C1CN(C(=O)OC(C)(C)C)C1)CC[NH+](C)C ZINC000808781810 593287935 /nfs/dbraw/zinc/28/79/35/593287935.db2.gz SCNXOEHARQQKBH-UHFFFAOYSA-N 1 3 328.501 1.421 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCCS(=O)(=O)C(C)(C)C)CC[NH2+]CC1 ZINC000817911833 593647809 /nfs/dbraw/zinc/64/78/09/593647809.db2.gz KWKCLFLQWGGMOV-CYBMUJFWSA-N 1 3 348.509 1.111 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135197 593740828 /nfs/dbraw/zinc/74/08/28/593740828.db2.gz VBOXWPUFZANJKZ-KFWWJZLASA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000820107032 593791666 /nfs/dbraw/zinc/79/16/66/593791666.db2.gz NUOFIUULEUZJPB-RUYXUALKSA-N 1 3 343.471 1.344 20 0 EDADHO CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000821255038 593998779 /nfs/dbraw/zinc/99/87/79/593998779.db2.gz SHEKEBNNLYRVCB-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000821255038 593998780 /nfs/dbraw/zinc/99/87/80/593998780.db2.gz SHEKEBNNLYRVCB-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585250 594042827 /nfs/dbraw/zinc/04/28/27/594042827.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585250 594042828 /nfs/dbraw/zinc/04/28/28/594042828.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585250 594042830 /nfs/dbraw/zinc/04/28/30/594042830.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585250 594042831 /nfs/dbraw/zinc/04/28/31/594042831.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)F)n(C)n1 ZINC000824820452 594079727 /nfs/dbraw/zinc/07/97/27/594079727.db2.gz ZHCSSGMDSQNFDD-NSHDSACASA-N 1 3 331.411 1.360 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C(F)F)n(C)n1 ZINC000824820452 594079728 /nfs/dbraw/zinc/07/97/28/594079728.db2.gz ZHCSSGMDSQNFDD-NSHDSACASA-N 1 3 331.411 1.360 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101727 /nfs/dbraw/zinc/10/17/27/594101727.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 1 3 345.487 1.742 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101728 /nfs/dbraw/zinc/10/17/28/594101728.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 1 3 345.487 1.742 20 0 EDADHO COc1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)ccc1OCCN(C)C ZINC000822925861 594123084 /nfs/dbraw/zinc/12/30/84/594123084.db2.gz MBNOXGSFDXQWDJ-CYBMUJFWSA-N 1 3 346.431 1.838 20 0 EDADHO CC[NH+](CC)CCOc1ccc(-c2nc(N3CCNCC3)no2)cc1 ZINC000823315014 594184266 /nfs/dbraw/zinc/18/42/66/594184266.db2.gz ITASKCGASOFIIN-UHFFFAOYSA-N 1 3 345.447 1.867 20 0 EDADHO COC[C@@]1(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)CC[NH2+]C1 ZINC000827250052 594656379 /nfs/dbraw/zinc/65/63/79/594656379.db2.gz NUEYOSHYHABPNV-LJQANCHMSA-N 1 3 346.475 1.393 20 0 EDADHO CCO[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CN(C)C ZINC000831719780 594695904 /nfs/dbraw/zinc/69/59/04/594695904.db2.gz UTUQDUCRIIBQMO-CVEARBPZSA-N 1 3 343.537 1.287 20 0 EDADHO CCO[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C[NH+](C)C ZINC000831743576 594698348 /nfs/dbraw/zinc/69/83/48/594698348.db2.gz JWNWIIULAVQFCN-MRXNPFEDSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@]1(CNC(=O)NC2CC[NH2+]CC2)CCN(Cc2ccccc2)C1 ZINC000841899156 594977247 /nfs/dbraw/zinc/97/72/47/594977247.db2.gz SVWQXJRELATYPA-IBGZPJMESA-N 1 3 330.476 1.950 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928643 594983738 /nfs/dbraw/zinc/98/37/38/594983738.db2.gz QPKAHIJRIABAAK-QZTJIDSGSA-N 1 3 330.476 1.814 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C[C@@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843207030 595035020 /nfs/dbraw/zinc/03/50/20/595035020.db2.gz IGVDFVLQPJGLQC-OAHLLOKOSA-N 1 3 342.447 1.553 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843489507 595128099 /nfs/dbraw/zinc/12/80/99/595128099.db2.gz GCBFNWNBKOAQIS-NJAFHUGGSA-N 1 3 331.460 1.392 20 0 EDADHO CN(C)C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000843494212 595130103 /nfs/dbraw/zinc/13/01/03/595130103.db2.gz PVANZGGEPZGFJN-HOTGVXAUSA-N 1 3 339.867 1.828 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2ncc(C3OCCO3)s2)CC1 ZINC000846052001 595130474 /nfs/dbraw/zinc/13/04/74/595130474.db2.gz BHGKFVRZCFVDAO-UHFFFAOYSA-N 1 3 340.493 1.306 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2ncc(C3OCCO3)s2)CC1 ZINC000846052001 595130475 /nfs/dbraw/zinc/13/04/75/595130475.db2.gz BHGKFVRZCFVDAO-UHFFFAOYSA-N 1 3 340.493 1.306 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000844165362 595288369 /nfs/dbraw/zinc/28/83/69/595288369.db2.gz DFKPKSSNSBRPEC-MSOLQXFVSA-N 1 3 331.460 1.708 20 0 EDADHO CN1CCC(ONC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000846649055 595293230 /nfs/dbraw/zinc/29/32/30/595293230.db2.gz CUTPUGYBOZATQQ-CQSZACIVSA-N 1 3 327.494 1.346 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189544 595297574 /nfs/dbraw/zinc/29/75/74/595297574.db2.gz NEZNNFGELBMSFG-ZWKOTPCHSA-N 1 3 331.460 1.488 20 0 EDADHO C[NH+](C)CCOc1cccc(-c2noc(C[C@H]3CSCCN3)n2)c1 ZINC000843186327 595301584 /nfs/dbraw/zinc/30/15/84/595301584.db2.gz OVWIEHBRUAUUTR-AWEZNQCLSA-N 1 3 348.472 1.925 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000848073026 595315246 /nfs/dbraw/zinc/31/52/46/595315246.db2.gz IBMXXBOEKZQOAI-CJNGLKHVSA-N 1 3 337.464 1.003 20 0 EDADHO COc1ccc(CCNC(=[NH2+])NC[C@H](C)N2CCCC2)cc1OC ZINC000849061520 595476622 /nfs/dbraw/zinc/47/66/22/595476622.db2.gz KDMNIFODNYRXNZ-AWEZNQCLSA-N 1 3 334.464 1.845 20 0 EDADHO COCCN(C)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849073689 595478191 /nfs/dbraw/zinc/47/81/91/595478191.db2.gz WXORUXBAUNWTNX-UHFFFAOYSA-N 1 3 347.507 1.343 20 0 EDADHO [NH2+]=C(NCCCN1CCN(Cc2ccccc2)CC1)NC1CCC1 ZINC000849110250 595483368 /nfs/dbraw/zinc/48/33/68/595483368.db2.gz CYRQEPHHAWRSCC-UHFFFAOYSA-N 1 3 329.492 1.861 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596633 595586817 /nfs/dbraw/zinc/58/68/17/595586817.db2.gz AWOZNVIGSNLRPD-MSOLQXFVSA-N 1 3 347.507 1.254 20 0 EDADHO NC[C@H]1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)=NO1 ZINC000852868844 595588367 /nfs/dbraw/zinc/58/83/67/595588367.db2.gz VYHMMBGIQBEESE-NPYXIHBLSA-N 1 3 342.443 1.402 20 0 EDADHO NC[C@H]1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)=NO1 ZINC000852868844 595588368 /nfs/dbraw/zinc/58/83/68/595588368.db2.gz VYHMMBGIQBEESE-NPYXIHBLSA-N 1 3 342.443 1.402 20 0 EDADHO CCN1CCC[C@H]1CNC(=S)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853052584 595650720 /nfs/dbraw/zinc/65/07/20/595650720.db2.gz WYUFJYSHVMUFAT-JKSUJKDBSA-N 1 3 342.553 1.388 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000861555494 596028645 /nfs/dbraw/zinc/02/86/45/596028645.db2.gz OAONATIXOKHORE-WMZOPIPTSA-N 1 3 347.507 1.354 20 0 EDADHO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207963 /nfs/dbraw/zinc/20/79/63/596207963.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 1 3 343.471 1.387 20 0 EDADHO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207964 /nfs/dbraw/zinc/20/79/64/596207964.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 1 3 343.471 1.387 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)CN1C1CC1 ZINC000870928393 596409333 /nfs/dbraw/zinc/40/93/33/596409333.db2.gz FRHWTPQOVATTTD-AAEUAGOBSA-N 1 3 334.489 1.965 20 0 EDADHO C[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980952 596428587 /nfs/dbraw/zinc/42/85/87/596428587.db2.gz ALQHAJMZHMRRQY-VQIMIIECSA-N 1 3 344.503 1.561 20 0 EDADHO CN(C)CCOc1ccc(NC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000863559766 596618990 /nfs/dbraw/zinc/61/89/90/596618990.db2.gz UQFSCNYORLTFMT-OAHLLOKOSA-N 1 3 325.428 1.635 20 0 EDADHO COC(C)(C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000868212459 596726194 /nfs/dbraw/zinc/72/61/94/596726194.db2.gz RVGZLTIYARAVTM-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CCCn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000122109316 596784638 /nfs/dbraw/zinc/78/46/38/596784638.db2.gz AJNOBKHURSMHAH-UHFFFAOYSA-N 1 3 348.495 1.973 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142762 596809518 /nfs/dbraw/zinc/80/95/18/596809518.db2.gz CNLGHIKEAKPNIZ-KFGODFMUSA-N 1 3 335.492 1.524 20 0 EDADHO CCS(=O)(=O)NCCN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158250 596816860 /nfs/dbraw/zinc/81/68/60/596816860.db2.gz UJHFSHNEXDHSSZ-ZBFHGGJFSA-N 1 3 331.526 1.545 20 0 EDADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+]C[C@@H](O)CN(C)C2CC2)C1 ZINC000872225545 596844082 /nfs/dbraw/zinc/84/40/82/596844082.db2.gz CNPCNPRSSIXMQC-UXHICEINSA-N 1 3 347.503 1.241 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCSCc2ccccc2)C1 ZINC000872257840 596857373 /nfs/dbraw/zinc/85/73/73/596857373.db2.gz YRRGCOPVOJFRFA-IXDOHACOSA-N 1 3 347.484 1.787 20 0 EDADHO O=C([C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1)N1CCOCC1 ZINC000873202416 597225437 /nfs/dbraw/zinc/22/54/37/597225437.db2.gz QVFYEZZMSVJRNZ-AWEZNQCLSA-N 1 3 349.500 1.465 20 0 EDADHO O=C([C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1)N1CCOCC1 ZINC000873202416 597225440 /nfs/dbraw/zinc/22/54/40/597225440.db2.gz QVFYEZZMSVJRNZ-AWEZNQCLSA-N 1 3 349.500 1.465 20 0 EDADHO FC(F)(F)C(F)(F)OCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873282204 597248254 /nfs/dbraw/zinc/24/82/54/597248254.db2.gz GIVXFXCOCTWPCT-OUAUKWLOSA-N 1 3 332.313 1.905 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873304155 597251786 /nfs/dbraw/zinc/25/17/86/597251786.db2.gz LVTZJOOHYIZQCE-KBXCAEBGSA-N 1 3 332.448 1.700 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCN1C ZINC000875152615 597304428 /nfs/dbraw/zinc/30/44/28/597304428.db2.gz TWQFBQWCKIXKGD-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876719705 597304460 /nfs/dbraw/zinc/30/44/60/597304460.db2.gz SNUSZMFUNNBVJD-QAPCUYQASA-N 1 3 332.492 1.424 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876719705 597304464 /nfs/dbraw/zinc/30/44/64/597304464.db2.gz SNUSZMFUNNBVJD-QAPCUYQASA-N 1 3 332.492 1.424 20 0 EDADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCN1CC[C@@H](C)C1 ZINC000876772372 597334274 /nfs/dbraw/zinc/33/42/74/597334274.db2.gz BHQPLDAXPSHQGK-GFCCVEGCSA-N 1 3 336.505 1.990 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876897722 597375678 /nfs/dbraw/zinc/37/56/78/597375678.db2.gz VDNWTQLNKNOTHP-RCCFBDPRSA-N 1 3 349.450 1.341 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877031074 597417616 /nfs/dbraw/zinc/41/76/16/597417616.db2.gz QNLKXUXZLDXPGF-DXCKQFNASA-N 1 3 328.416 1.233 20 0 EDADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC000877080560 597427193 /nfs/dbraw/zinc/42/71/93/597427193.db2.gz DLIQELAWMKNLRV-QZJSNOFBSA-N 1 3 335.492 1.502 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000877266915 597483556 /nfs/dbraw/zinc/48/35/56/597483556.db2.gz MPGFTPTUBSCJET-HNNXBMFYSA-N 1 3 327.469 1.093 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525070 597530687 /nfs/dbraw/zinc/53/06/87/597530687.db2.gz PMVQSHYFGCHOMR-SFHVURJKSA-N 1 3 344.507 1.816 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525070 597530688 /nfs/dbraw/zinc/53/06/88/597530688.db2.gz PMVQSHYFGCHOMR-SFHVURJKSA-N 1 3 344.507 1.816 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H]3CC4(CO3)CCOCC4)CC2)CC1 ZINC000879595354 597650528 /nfs/dbraw/zinc/65/05/28/597650528.db2.gz ZKNKPIOXVNGLNY-SFHVURJKSA-N 1 3 337.508 1.284 20 0 EDADHO CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000882618606 598004286 /nfs/dbraw/zinc/00/42/86/598004286.db2.gz VPTOESPGEMXUDV-UHFFFAOYSA-N 1 3 345.553 1.998 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000914162442 695175136 /nfs/dbraw/zinc/17/51/36/695175136.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000914162442 695175137 /nfs/dbraw/zinc/17/51/37/695175137.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 1 3 336.480 1.023 20 0 EDADHO CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031857006 700008178 /nfs/dbraw/zinc/00/81/78/700008178.db2.gz OQPOQJXPIMENLE-RMXPPQQLSA-N 1 3 335.492 1.334 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCCN1CCCF ZINC000993371578 696019965 /nfs/dbraw/zinc/01/99/65/696019965.db2.gz ZYHLLOWRNUUBOT-LSDHHAIUSA-N 1 3 339.459 1.387 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008699 700110699 /nfs/dbraw/zinc/11/06/99/700110699.db2.gz YRIDEKLCXZYWOH-INIZCTEOSA-N 1 3 334.439 1.786 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCc3nccc(N)c3C2)cc1 ZINC000918900765 697222027 /nfs/dbraw/zinc/22/20/27/697222027.db2.gz UYNFIBYBGFHMHA-UHFFFAOYSA-N 1 3 346.456 1.472 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836903 697240027 /nfs/dbraw/zinc/24/00/27/697240027.db2.gz ZRSMSJBVPMNGAW-DLBZAZTESA-N 1 3 339.524 1.922 20 0 EDADHO CC1(NCc2cnns2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115582 700230546 /nfs/dbraw/zinc/23/05/46/700230546.db2.gz NQVKNHBNDGLNCG-HNNXBMFYSA-N 1 3 349.504 1.351 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n[nH]1 ZINC000939054999 699115817 /nfs/dbraw/zinc/11/58/17/699115817.db2.gz RYCMZTXCHNWQQR-HIFRSBDPSA-N 1 3 348.495 1.206 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136855 699223335 /nfs/dbraw/zinc/22/33/35/699223335.db2.gz CKBWUKIEJWSMKU-RHSMWYFYSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cs1 ZINC000939214475 699385761 /nfs/dbraw/zinc/38/57/61/699385761.db2.gz LIOSOUAEIKLRGS-ABAIWWIYSA-N 1 3 333.461 1.396 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639735 701603203 /nfs/dbraw/zinc/60/32/03/701603203.db2.gz XNMSGMFOJSFSMC-QGZVFWFLSA-N 1 3 336.524 1.203 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639735 701603204 /nfs/dbraw/zinc/60/32/04/701603204.db2.gz XNMSGMFOJSFSMC-QGZVFWFLSA-N 1 3 336.524 1.203 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)CCC1 ZINC000940150280 700261077 /nfs/dbraw/zinc/26/10/77/700261077.db2.gz VEJXUGGDRFQTHE-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1)C1CC1 ZINC000940148663 700281507 /nfs/dbraw/zinc/28/15/07/700281507.db2.gz CGYIJLPKEZDOTI-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cn(C)nc2C)CC1)N(C)C ZINC000940176272 700308486 /nfs/dbraw/zinc/30/84/86/700308486.db2.gz CFNVMGGPRKVNNE-MRXNPFEDSA-N 1 3 335.496 1.539 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995167329 701635487 /nfs/dbraw/zinc/63/54/87/701635487.db2.gz JBFHVAXATDHOMF-QWHCGFSZSA-N 1 3 344.419 1.219 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)nn1C ZINC000940462490 700649425 /nfs/dbraw/zinc/64/94/25/700649425.db2.gz VSXSVOIMSMROBS-UHFFFAOYSA-N 1 3 333.480 1.295 20 0 EDADHO CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940462090 700665960 /nfs/dbraw/zinc/66/59/60/700665960.db2.gz ZZKQLGMKFWQEBS-UHFFFAOYSA-N 1 3 333.480 1.470 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNCc3cnns3)C2)CC1 ZINC000995078498 700669833 /nfs/dbraw/zinc/66/98/33/700669833.db2.gz KFBCKDSUEUZAPO-GXTWGEPZSA-N 1 3 337.493 1.254 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943709 701009988 /nfs/dbraw/zinc/00/99/88/701009988.db2.gz NAGSAKXFQOEVQK-HUUCEWRRSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943709 701009990 /nfs/dbraw/zinc/00/99/90/701009990.db2.gz NAGSAKXFQOEVQK-HUUCEWRRSA-N 1 3 325.497 1.458 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2cncc(F)c2)C1 ZINC000999171300 706601335 /nfs/dbraw/zinc/60/13/35/706601335.db2.gz VZURBNNYJPYRAY-ROUUACIJSA-N 1 3 346.450 1.643 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941345497 701480958 /nfs/dbraw/zinc/48/09/58/701480958.db2.gz UXSBQQHGBMGBDZ-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404364 701518924 /nfs/dbraw/zinc/51/89/24/701518924.db2.gz BFTPJFOSKPTWAD-SFHVURJKSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404364 701518925 /nfs/dbraw/zinc/51/89/25/701518925.db2.gz BFTPJFOSKPTWAD-SFHVURJKSA-N 1 3 336.524 1.344 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941455800 701542735 /nfs/dbraw/zinc/54/27/35/701542735.db2.gz FXPSDDYBPUUBBX-HKUYNNGSSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941455800 701542736 /nfs/dbraw/zinc/54/27/36/701542736.db2.gz FXPSDDYBPUUBBX-HKUYNNGSSA-N 1 3 348.535 1.632 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445910 702033733 /nfs/dbraw/zinc/03/37/33/702033733.db2.gz QORAILDYQNHFCK-PBHICJAKSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445910 702033738 /nfs/dbraw/zinc/03/37/38/702033738.db2.gz QORAILDYQNHFCK-PBHICJAKSA-N 1 3 348.491 1.904 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802756 702047207 /nfs/dbraw/zinc/04/72/07/702047207.db2.gz OHLFZUIPBFHTPA-DLBZAZTESA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802756 702047214 /nfs/dbraw/zinc/04/72/14/702047214.db2.gz OHLFZUIPBFHTPA-DLBZAZTESA-N 1 3 347.507 1.620 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825107 702095757 /nfs/dbraw/zinc/09/57/57/702095757.db2.gz QUNBILUMLNXJQO-IAGOWNOFSA-N 1 3 345.491 1.089 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3n[nH]c(C)n3)C(C)(C)C2)CC[N@@H+]1C ZINC000995839180 702118364 /nfs/dbraw/zinc/11/83/64/702118364.db2.gz KFBAVBNPLAHOSR-ZNMIVQPWSA-N 1 3 348.495 1.170 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3n[nH]c(C)n3)C(C)(C)C2)CC[N@H+]1C ZINC000995839180 702118365 /nfs/dbraw/zinc/11/83/65/702118365.db2.gz KFBAVBNPLAHOSR-ZNMIVQPWSA-N 1 3 348.495 1.170 20 0 EDADHO CC[C@H](C[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1)OC ZINC001032207757 702212316 /nfs/dbraw/zinc/21/23/16/702212316.db2.gz ZJPQYQNHYUQDEA-GOSISDBHSA-N 1 3 333.476 1.835 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888863 702228424 /nfs/dbraw/zinc/22/84/24/702228424.db2.gz SDYZZNPYIWLXCI-JKSUJKDBSA-N 1 3 337.508 1.866 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995917270 702234762 /nfs/dbraw/zinc/23/47/62/702234762.db2.gz UELFMIREMDUMCD-NVXWUHKLSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995917270 702234767 /nfs/dbraw/zinc/23/47/67/702234767.db2.gz UELFMIREMDUMCD-NVXWUHKLSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nc([C@@H](C)N[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n[nH]1 ZINC000996223300 702633307 /nfs/dbraw/zinc/63/33/07/702633307.db2.gz PYPOPNFHQRPGFC-IUODEOHRSA-N 1 3 348.495 1.343 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302592 702694865 /nfs/dbraw/zinc/69/48/65/702694865.db2.gz XPABTAHEDALOID-DOTOQJQBSA-N 1 3 347.507 1.274 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384576 702748972 /nfs/dbraw/zinc/74/89/72/702748972.db2.gz ANDWDWIGSFHPSC-QGZVFWFLSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561497 702875656 /nfs/dbraw/zinc/87/56/56/702875656.db2.gz PTNFQPXFJLDLNR-LRDDRELGSA-N 1 3 346.479 1.097 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562759 702876838 /nfs/dbraw/zinc/87/68/38/702876838.db2.gz WYLHNLSLGBMDSL-KRWDZBQOSA-N 1 3 343.475 1.207 20 0 EDADHO C[C@H]1CN(CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442976 702938936 /nfs/dbraw/zinc/93/89/36/702938936.db2.gz BSHHGYRKLQEVHR-DZGCQCFKSA-N 1 3 331.395 1.677 20 0 EDADHO C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442976 702938938 /nfs/dbraw/zinc/93/89/38/702938938.db2.gz BSHHGYRKLQEVHR-DZGCQCFKSA-N 1 3 331.395 1.677 20 0 EDADHO C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)c1ccn(-c2ccncc2)n1 ZINC000942442976 702938940 /nfs/dbraw/zinc/93/89/40/702938940.db2.gz BSHHGYRKLQEVHR-DZGCQCFKSA-N 1 3 331.395 1.677 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664194 702961503 /nfs/dbraw/zinc/96/15/03/702961503.db2.gz GPJOCGYZKBPOTI-UHFFFAOYSA-N 1 3 334.464 1.802 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C1CCC1 ZINC000996665460 702967809 /nfs/dbraw/zinc/96/78/09/702967809.db2.gz MBODIZSGYPKOCG-UHFFFAOYSA-N 1 3 345.487 1.744 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCc2ccns2)CC1)N(C)C ZINC000996963683 703232545 /nfs/dbraw/zinc/23/25/45/703232545.db2.gz HVZCDVLXYWLVEQ-MRXNPFEDSA-N 1 3 338.521 1.852 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1)N(C)C ZINC000996964436 703232980 /nfs/dbraw/zinc/23/29/80/703232980.db2.gz KQZNDWAUDHZZGK-DOTOQJQBSA-N 1 3 325.497 1.580 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000997002559 703259195 /nfs/dbraw/zinc/25/91/95/703259195.db2.gz XBPCPISFINTWNH-HJOIGYKYSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007323 703264823 /nfs/dbraw/zinc/26/48/23/703264823.db2.gz QCFDTBAIHRJERL-ZDUSSCGKSA-N 1 3 329.435 1.954 20 0 EDADHO C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000997009153 703269547 /nfs/dbraw/zinc/26/95/47/703269547.db2.gz YNNDULNUKGOGPF-DYVFJYSZSA-N 1 3 329.460 1.160 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000997037148 703288816 /nfs/dbraw/zinc/28/88/16/703288816.db2.gz UROPOPMYEXQMFH-KRWDZBQOSA-N 1 3 346.406 1.406 20 0 EDADHO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)O1 ZINC000997116028 703370221 /nfs/dbraw/zinc/37/02/21/703370221.db2.gz RNBGNEORYQYRDT-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053106 703402366 /nfs/dbraw/zinc/40/23/66/703402366.db2.gz ORFUKDBAMIAXIU-DNVCBOLYSA-N 1 3 345.487 1.977 20 0 EDADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610575 704144557 /nfs/dbraw/zinc/14/45/57/704144557.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000922610575 704144558 /nfs/dbraw/zinc/14/45/58/704144558.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000922610575 704144559 /nfs/dbraw/zinc/14/45/59/704144559.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610575 704144560 /nfs/dbraw/zinc/14/45/60/704144560.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610575 704144561 /nfs/dbraw/zinc/14/45/61/704144561.db2.gz UGKBQOUXMGNVOI-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCO2)CC1 ZINC001032710445 706793259 /nfs/dbraw/zinc/79/32/59/706793259.db2.gz AHPYFDMAOSZSDV-GBESFXJTSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001033093182 704169981 /nfs/dbraw/zinc/16/99/81/704169981.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 1 3 345.487 1.938 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOc3ccccc3)C2)CC[N@H+]1C ZINC001033093182 704169982 /nfs/dbraw/zinc/16/99/82/704169982.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 1 3 345.487 1.938 20 0 EDADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294241 /nfs/dbraw/zinc/29/42/41/704294241.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 1 3 349.519 1.676 20 0 EDADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294243 /nfs/dbraw/zinc/29/42/43/704294243.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 1 3 349.519 1.676 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)N(C)C ZINC001004462073 704455566 /nfs/dbraw/zinc/45/55/66/704455566.db2.gz CUCJIYTYASORBB-ROUUACIJSA-N 1 3 339.524 1.658 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)N(C)C ZINC001004462073 704455567 /nfs/dbraw/zinc/45/55/67/704455567.db2.gz CUCJIYTYASORBB-ROUUACIJSA-N 1 3 339.524 1.658 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000997830353 704749047 /nfs/dbraw/zinc/74/90/47/704749047.db2.gz IRDDLYXPELDAPH-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998082120 705308681 /nfs/dbraw/zinc/30/86/81/705308681.db2.gz NPFYIXHRZRHURE-CQSZACIVSA-N 1 3 334.464 1.796 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083018 705311148 /nfs/dbraw/zinc/31/11/48/705311148.db2.gz STICFFFLDOOQMV-MRXNPFEDSA-N 1 3 347.507 1.573 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083018 705311152 /nfs/dbraw/zinc/31/11/52/705311152.db2.gz STICFFFLDOOQMV-MRXNPFEDSA-N 1 3 347.507 1.573 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC000998191115 705499652 /nfs/dbraw/zinc/49/96/52/705499652.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 1 3 347.507 1.575 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2cnn(C)c2)CC1 ZINC000998191115 705499656 /nfs/dbraw/zinc/49/96/56/705499656.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 1 3 347.507 1.575 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998274826 705657795 /nfs/dbraw/zinc/65/77/95/705657795.db2.gz WDLMLUIXRLSFKD-MRXNPFEDSA-N 1 3 333.480 1.183 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998274826 705657796 /nfs/dbraw/zinc/65/77/96/705657796.db2.gz WDLMLUIXRLSFKD-MRXNPFEDSA-N 1 3 333.480 1.183 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998548287 705983435 /nfs/dbraw/zinc/98/34/35/705983435.db2.gz FZOOHRYWHFDPGT-YMAMQOFZSA-N 1 3 339.871 1.210 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998552912 705990423 /nfs/dbraw/zinc/99/04/23/705990423.db2.gz UQBUOGHNRIEKCS-JCYILVPMSA-N 1 3 347.507 1.811 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC000998725732 706160700 /nfs/dbraw/zinc/16/07/00/706160700.db2.gz XWNJNVRRBAWXOT-CVEARBPZSA-N 1 3 332.448 1.265 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343673 706855171 /nfs/dbraw/zinc/85/51/71/706855171.db2.gz QQTWGPWUIPZZHC-UHFFFAOYSA-N 1 3 348.495 1.027 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC000999406878 706916661 /nfs/dbraw/zinc/91/66/61/706916661.db2.gz BCTPDROPNFIPCJ-JEYLPNPQSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)o1 ZINC000999406878 706916664 /nfs/dbraw/zinc/91/66/64/706916664.db2.gz BCTPDROPNFIPCJ-JEYLPNPQSA-N 1 3 348.491 1.966 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cn1 ZINC000999791872 707363083 /nfs/dbraw/zinc/36/30/83/707363083.db2.gz LGFOBWMEXDELIQ-QZTJIDSGSA-N 1 3 345.491 1.375 20 0 EDADHO O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001032725354 707711699 /nfs/dbraw/zinc/71/16/99/707711699.db2.gz RFAVSCLXOGJXOP-NEWSRXKRSA-N 1 3 347.503 1.430 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001033395847 707734041 /nfs/dbraw/zinc/73/40/41/707734041.db2.gz KRFCIRVYJQHAJJ-RTBURBONSA-N 1 3 345.487 1.595 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389635 707760835 /nfs/dbraw/zinc/76/08/35/707760835.db2.gz DZAUGCLGUPAYBC-GOSISDBHSA-N 1 3 347.507 1.320 20 0 EDADHO Cc1oncc1CN[C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982085 707860708 /nfs/dbraw/zinc/86/07/08/707860708.db2.gz OSSZDNIJGPCJLL-WMLDXEAASA-N 1 3 346.475 1.938 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790945 709398503 /nfs/dbraw/zinc/39/85/03/709398503.db2.gz CSWVKEANZLDPML-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001034217813 709573945 /nfs/dbraw/zinc/57/39/45/709573945.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 1 3 347.507 1.584 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001034217813 709573947 /nfs/dbraw/zinc/57/39/47/709573947.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 1 3 347.507 1.584 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239063 709620467 /nfs/dbraw/zinc/62/04/67/709620467.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 1 3 325.497 1.581 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034239063 709620470 /nfs/dbraw/zinc/62/04/70/709620470.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 1 3 325.497 1.581 20 0 EDADHO O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321058 709771017 /nfs/dbraw/zinc/77/10/17/709771017.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 1 3 333.476 1.230 20 0 EDADHO O=C(N[C@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321058 709771020 /nfs/dbraw/zinc/77/10/20/709771020.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 1 3 333.476 1.230 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003147616 710046205 /nfs/dbraw/zinc/04/62/05/710046205.db2.gz WWATZSPNCBHJLG-QZTJIDSGSA-N 1 3 345.491 1.481 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001003147616 710046210 /nfs/dbraw/zinc/04/62/10/710046210.db2.gz WWATZSPNCBHJLG-QZTJIDSGSA-N 1 3 345.491 1.481 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034738279 710953371 /nfs/dbraw/zinc/95/33/71/710953371.db2.gz SKWVGJACNLQGAW-RGCMKSIDSA-N 1 3 337.493 1.253 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2cnns2)CC1 ZINC001034738279 710953376 /nfs/dbraw/zinc/95/33/76/710953376.db2.gz SKWVGJACNLQGAW-RGCMKSIDSA-N 1 3 337.493 1.253 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797140 711130842 /nfs/dbraw/zinc/13/08/42/711130842.db2.gz WVEMUAJIIAUELC-QAETUUGQSA-N 1 3 347.507 1.810 20 0 EDADHO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)ccn1 ZINC001034959460 711434294 /nfs/dbraw/zinc/43/42/94/711434294.db2.gz ZAAWJJLALJEDQA-AEFFLSMTSA-N 1 3 346.475 1.511 20 0 EDADHO CCc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940065 711443352 /nfs/dbraw/zinc/44/33/52/711443352.db2.gz VPOCHGLXDLHDIF-FVQBIDKESA-N 1 3 348.491 1.966 20 0 EDADHO CCc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940065 711443353 /nfs/dbraw/zinc/44/33/53/711443353.db2.gz VPOCHGLXDLHDIF-FVQBIDKESA-N 1 3 348.491 1.966 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@H]1C(C)C ZINC000922391991 711457039 /nfs/dbraw/zinc/45/70/39/711457039.db2.gz IXWKPMBGFNZDKC-MLYOOKFZSA-N 1 3 345.487 1.745 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@H]1C(C)C ZINC000922391991 711457041 /nfs/dbraw/zinc/45/70/41/711457041.db2.gz IXWKPMBGFNZDKC-MLYOOKFZSA-N 1 3 345.487 1.745 20 0 EDADHO Cc1nnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000051236020 214085352 /nfs/dbraw/zinc/08/53/52/214085352.db2.gz QDCGAOPVAGGVDK-UHFFFAOYSA-N 1 3 338.481 1.527 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417204074 282131001 /nfs/dbraw/zinc/13/10/01/282131001.db2.gz ZRFSTDLGTCGSGH-OKZBNKHCSA-N 1 3 332.492 1.976 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440990672 539332267 /nfs/dbraw/zinc/33/22/67/539332267.db2.gz WRCCVDZJEOHFSH-OAHLLOKOSA-N 1 3 327.517 1.042 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000154215347 539555143 /nfs/dbraw/zinc/55/51/43/539555143.db2.gz FHHNZCNRKMTMEV-MRXNPFEDSA-N 1 3 343.479 1.341 20 0 EDADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CNCCO1 ZINC000561145625 306282696 /nfs/dbraw/zinc/28/26/96/306282696.db2.gz ZTQYSKKREHDSSY-QGZVFWFLSA-N 1 3 332.448 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000342972923 539768445 /nfs/dbraw/zinc/76/84/45/539768445.db2.gz ADAKSSNILLLRIA-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CSC1(CNC(=O)CCN(C)c2ccncc2)CC[NH+](C)CC1 ZINC000562371489 306296758 /nfs/dbraw/zinc/29/67/58/306296758.db2.gz QGFKJFHSNJDBIY-UHFFFAOYSA-N 1 3 336.505 1.852 20 0 EDADHO c1cnc(N2CCN(CCCN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114654 540075599 /nfs/dbraw/zinc/07/55/99/540075599.db2.gz DMAYSUGEVZDANV-ZWKOTPCHSA-N 1 3 344.507 1.205 20 0 EDADHO c1cnc(N2CCN(CCCN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114654 540075602 /nfs/dbraw/zinc/07/56/02/540075602.db2.gz DMAYSUGEVZDANV-ZWKOTPCHSA-N 1 3 344.507 1.205 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000563272149 306325781 /nfs/dbraw/zinc/32/57/81/306325781.db2.gz LAIVFHXKQRSYRW-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423321552 295907054 /nfs/dbraw/zinc/90/70/54/295907054.db2.gz GKMYIHWAPAIXQG-LSDHHAIUSA-N 1 3 333.480 1.491 20 0 EDADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211148 /nfs/dbraw/zinc/21/11/48/138211148.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 1 3 332.448 1.388 20 0 EDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211149 /nfs/dbraw/zinc/21/11/49/138211149.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 1 3 332.448 1.388 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000563559294 306338846 /nfs/dbraw/zinc/33/88/46/306338846.db2.gz UFBBTPPYNSUXHD-ROUUACIJSA-N 1 3 347.507 1.354 20 0 EDADHO CC[C@@H](C)[C@@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114949614 138310922 /nfs/dbraw/zinc/31/09/22/138310922.db2.gz AMFSVOPBJYMTNW-PBHICJAKSA-N 1 3 340.512 1.251 20 0 EDADHO COCCN1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000175713069 237317215 /nfs/dbraw/zinc/31/72/15/237317215.db2.gz RVSOJPHSTKRVMM-QGZVFWFLSA-N 1 3 341.496 1.007 20 0 EDADHO C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861903 296032993 /nfs/dbraw/zinc/03/29/93/296032993.db2.gz ZBCGEHUEUVOBCZ-RBSFLKMASA-N 1 3 340.512 1.020 20 0 EDADHO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000566059373 306397200 /nfs/dbraw/zinc/39/72/00/306397200.db2.gz UYWPRHYWZIHZKM-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO Cc1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc(C)c1O ZINC000414482478 304118255 /nfs/dbraw/zinc/11/82/55/304118255.db2.gz LRGWTJYUYQOERH-UHFFFAOYSA-N 1 3 347.503 1.895 20 0 EDADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703711 304130318 /nfs/dbraw/zinc/13/03/18/304130318.db2.gz MROMHLKLKKUAGS-MOPGFXCFSA-N 1 3 347.503 1.703 20 0 EDADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703711 304130320 /nfs/dbraw/zinc/13/03/20/304130320.db2.gz MROMHLKLKKUAGS-MOPGFXCFSA-N 1 3 347.503 1.703 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000414715774 304131947 /nfs/dbraw/zinc/13/19/47/304131947.db2.gz XOYRDNVBJOJBBY-HUUCEWRRSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000414735925 304134988 /nfs/dbraw/zinc/13/49/88/304134988.db2.gz MERDKIXWAWGNLL-RHSMWYFYSA-N 1 3 344.459 1.732 20 0 EDADHO COCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCSC1 ZINC000414761602 304138237 /nfs/dbraw/zinc/13/82/37/304138237.db2.gz JOXPLMPLVNMSOH-HUUCEWRRSA-N 1 3 329.510 1.028 20 0 EDADHO COCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCCSC1 ZINC000414761602 304138239 /nfs/dbraw/zinc/13/82/39/304138239.db2.gz JOXPLMPLVNMSOH-HUUCEWRRSA-N 1 3 329.510 1.028 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000415032369 304152638 /nfs/dbraw/zinc/15/26/38/304152638.db2.gz AFGHUTHTKHHMCI-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)CCOc1cnccc1CNC1CC[NH+](CC2CC2)CC1 ZINC000566996782 306435185 /nfs/dbraw/zinc/43/51/85/306435185.db2.gz MKEYAYSNSXYINQ-UHFFFAOYSA-N 1 3 332.492 1.986 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2csc(CC[NH3+])n2)N(C)C)cc1 ZINC000194830008 139000990 /nfs/dbraw/zinc/00/09/90/139000990.db2.gz RVTXBKFVLKFIQM-OAHLLOKOSA-N 1 3 332.473 1.985 20 0 EDADHO COCCOc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415131956 304162740 /nfs/dbraw/zinc/16/27/40/304162740.db2.gz KJBJXYQUOBESCY-MOPGFXCFSA-N 1 3 346.471 1.912 20 0 EDADHO CCn1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415135806 304163190 /nfs/dbraw/zinc/16/31/90/304163190.db2.gz QSHOZMFJDXXOTF-UHFFFAOYSA-N 1 3 327.476 1.986 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267765 306445171 /nfs/dbraw/zinc/44/51/71/306445171.db2.gz LKAQFRZULQBZSI-GPMSIDNRSA-N 1 3 335.492 1.510 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236653473 139027716 /nfs/dbraw/zinc/02/77/16/139027716.db2.gz CTORYYKPQJXBHK-KURKYZTESA-N 1 3 331.460 1.299 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000236621595 139027130 /nfs/dbraw/zinc/02/71/30/139027130.db2.gz VLJBZNLFUYAYGI-KRWDZBQOSA-N 1 3 332.492 1.688 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000415193705 304173771 /nfs/dbraw/zinc/17/37/71/304173771.db2.gz MNVALTOOVOGDEM-CQSZACIVSA-N 1 3 346.475 1.883 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000111794368 220191355 /nfs/dbraw/zinc/19/13/55/220191355.db2.gz BBKJBZNBVJZMOE-MSOLQXFVSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000111794368 220191357 /nfs/dbraw/zinc/19/13/57/220191357.db2.gz BBKJBZNBVJZMOE-MSOLQXFVSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000111794371 220192027 /nfs/dbraw/zinc/19/20/27/220192027.db2.gz BBKJBZNBVJZMOE-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000111794371 220192031 /nfs/dbraw/zinc/19/20/31/220192031.db2.gz BBKJBZNBVJZMOE-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000568275551 306477801 /nfs/dbraw/zinc/47/78/01/306477801.db2.gz YTHFPLWCZVWMDN-MQVJKMGUSA-N 1 3 343.475 1.693 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000568509397 306483218 /nfs/dbraw/zinc/48/32/18/306483218.db2.gz KDWTVYUNHWWGJI-QGZVFWFLSA-N 1 3 331.460 1.576 20 0 EDADHO COC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071357 139157943 /nfs/dbraw/zinc/15/79/43/139157943.db2.gz MPOUFLAEFHJJPC-MOPGFXCFSA-N 1 3 345.487 1.899 20 0 EDADHO COC[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071357 139157944 /nfs/dbraw/zinc/15/79/44/139157944.db2.gz MPOUFLAEFHJJPC-MOPGFXCFSA-N 1 3 345.487 1.899 20 0 EDADHO COC[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071357 139157945 /nfs/dbraw/zinc/15/79/45/139157945.db2.gz MPOUFLAEFHJJPC-MOPGFXCFSA-N 1 3 345.487 1.899 20 0 EDADHO C[C@H](O)C[C@@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000248439471 139163947 /nfs/dbraw/zinc/16/39/47/139163947.db2.gz UGAHRGXXXFJYSQ-XSLAGTTESA-N 1 3 340.508 1.474 20 0 EDADHO C[C@H](O)C[C@@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000248439471 139163948 /nfs/dbraw/zinc/16/39/48/139163948.db2.gz UGAHRGXXXFJYSQ-XSLAGTTESA-N 1 3 340.508 1.474 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012846 250052941 /nfs/dbraw/zinc/05/29/41/250052941.db2.gz KUFVMASDCSENGC-MRXNPFEDSA-N 1 3 326.529 1.687 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000352038401 250071454 /nfs/dbraw/zinc/07/14/54/250071454.db2.gz HRPWKTQWPNFKAC-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000352038401 250071458 /nfs/dbraw/zinc/07/14/58/250071458.db2.gz HRPWKTQWPNFKAC-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO C[C@H](C(=O)NC(N)=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820965 218171937 /nfs/dbraw/zinc/17/19/37/218171937.db2.gz BLXCTSZXUONZLS-CYBMUJFWSA-N 1 3 333.436 1.203 20 0 EDADHO CCCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000415409772 304216044 /nfs/dbraw/zinc/21/60/44/304216044.db2.gz ULHLAACPKBRUKA-INIZCTEOSA-N 1 3 332.448 1.287 20 0 EDADHO Cc1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000261637950 139213258 /nfs/dbraw/zinc/21/32/58/139213258.db2.gz DPNYUYBDHIXJHY-LSDHHAIUSA-N 1 3 336.505 1.840 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)c1)C1CC1 ZINC000415453318 304222177 /nfs/dbraw/zinc/22/21/77/304222177.db2.gz MXSPWKOPPMEWFF-KRWDZBQOSA-N 1 3 344.459 1.115 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@@H](CN)C2CC2)c1)C1CC1 ZINC000415453318 304222178 /nfs/dbraw/zinc/22/21/78/304222178.db2.gz MXSPWKOPPMEWFF-KRWDZBQOSA-N 1 3 344.459 1.115 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261747118 139222627 /nfs/dbraw/zinc/22/26/27/139222627.db2.gz DZRBEERFOHUVPT-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261747118 139222628 /nfs/dbraw/zinc/22/26/28/139222628.db2.gz DZRBEERFOHUVPT-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000261837212 139230354 /nfs/dbraw/zinc/23/03/54/139230354.db2.gz UODXEGBVTOMXGO-PKOBYXMFSA-N 1 3 345.487 1.777 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000414880575 250875023 /nfs/dbraw/zinc/87/50/23/250875023.db2.gz QHHOPKQFDLEOLD-INIZCTEOSA-N 1 3 346.475 1.581 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000414880575 250875025 /nfs/dbraw/zinc/87/50/25/250875025.db2.gz QHHOPKQFDLEOLD-INIZCTEOSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415689265 251018830 /nfs/dbraw/zinc/01/88/30/251018830.db2.gz KYBKNKBPQVGAQJ-SFHVURJKSA-N 1 3 332.448 1.192 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000262238401 139262617 /nfs/dbraw/zinc/26/26/17/139262617.db2.gz KRYDGLKZSWIJSE-QGZVFWFLSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)CNC3)CCCO1 ZINC000416010781 251046473 /nfs/dbraw/zinc/04/64/73/251046473.db2.gz ORDCHMVNVUBMJU-CQSZACIVSA-N 1 3 332.448 1.912 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)CNC3)CCCO1 ZINC000416010781 251046477 /nfs/dbraw/zinc/04/64/77/251046477.db2.gz ORDCHMVNVUBMJU-CQSZACIVSA-N 1 3 332.448 1.912 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250153 139263546 /nfs/dbraw/zinc/26/35/46/139263546.db2.gz LOAMENCYCWWTDZ-RDJZCZTQSA-N 1 3 331.460 1.694 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415571573 304228581 /nfs/dbraw/zinc/22/85/81/304228581.db2.gz MSRWGAPRPZEAAN-ZBFHGGJFSA-N 1 3 346.475 1.663 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000416992243 251120661 /nfs/dbraw/zinc/12/06/61/251120661.db2.gz PDMXZIZAEFBOLN-INIZCTEOSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417015098 251132684 /nfs/dbraw/zinc/13/26/84/251132684.db2.gz DZNKUVKVPLUFNB-CRAIPNDOSA-N 1 3 330.476 1.875 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000417090554 251140580 /nfs/dbraw/zinc/14/05/80/251140580.db2.gz XAPVEDGSHMWHGX-ZWKOTPCHSA-N 1 3 346.475 1.410 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)N(C)C)cc1 ZINC000417318024 251158083 /nfs/dbraw/zinc/15/80/83/251158083.db2.gz XVSINBYQRAYKSS-SQNIBIBYSA-N 1 3 330.476 1.991 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000417803911 251277292 /nfs/dbraw/zinc/27/72/92/251277292.db2.gz GFGFEGLSEKPCNP-LSDHHAIUSA-N 1 3 326.485 1.268 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113652 251327354 /nfs/dbraw/zinc/32/73/54/251327354.db2.gz JXBQHGLVPKYFFS-BRWVUGGUSA-N 1 3 340.512 1.552 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000418161367 251350129 /nfs/dbraw/zinc/35/01/29/251350129.db2.gz FADXVFWTIXTXGC-CAOSSQGBSA-N 1 3 334.464 1.960 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C[C@@H]1[NH3+] ZINC000418162667 251350227 /nfs/dbraw/zinc/35/02/27/251350227.db2.gz GMEGWYKFSUXYAV-KSSFIOAISA-N 1 3 346.475 1.648 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418319233 251360058 /nfs/dbraw/zinc/36/00/58/251360058.db2.gz OOQFEWPNQMTQDN-YOEHRIQHSA-N 1 3 334.464 1.597 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418581935 251378937 /nfs/dbraw/zinc/37/89/37/251378937.db2.gz MMCKSJYUYWJYIC-UONOGXRCSA-N 1 3 333.436 1.192 20 0 EDADHO CN(CC(C)(C)C[NH3+])C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000262588033 139288563 /nfs/dbraw/zinc/28/85/63/139288563.db2.gz QGILUBPQVLDBND-UHFFFAOYSA-N 1 3 332.492 1.642 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1 ZINC000262664696 139294479 /nfs/dbraw/zinc/29/44/79/139294479.db2.gz INQGYKPRDWUOCH-SFHVURJKSA-N 1 3 334.464 1.112 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H](C)C1 ZINC000262671062 139295184 /nfs/dbraw/zinc/29/51/84/139295184.db2.gz NZDIWIFMVNSIHV-KBPBESRZSA-N 1 3 334.468 1.053 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000262847049 139307557 /nfs/dbraw/zinc/30/75/57/139307557.db2.gz JNGSFTZDQZZWIL-OAHLLOKOSA-N 1 3 337.489 1.846 20 0 EDADHO CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1OC ZINC000422886402 252012603 /nfs/dbraw/zinc/01/26/03/252012603.db2.gz WREIXYWFBIJIGO-CVEARBPZSA-N 1 3 349.475 1.960 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCN2C2CCOCC2)cc1 ZINC000422892679 252013492 /nfs/dbraw/zinc/01/34/92/252013492.db2.gz ZEFJLWSSTDIQNS-RDTXWAMCSA-N 1 3 331.460 1.966 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782452 251976198 /nfs/dbraw/zinc/97/61/98/251976198.db2.gz MZLLFMSNJWWUDO-KVSKMBFKSA-N 1 3 327.476 1.937 20 0 EDADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900907 252017092 /nfs/dbraw/zinc/01/70/92/252017092.db2.gz KHNGXKFBCATKGJ-RDJZCZTQSA-N 1 3 339.505 1.933 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@@H]3CCC[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864440 252003577 /nfs/dbraw/zinc/00/35/77/252003577.db2.gz NBOGEQRQVDEBTB-TXPKVOOTSA-N 1 3 333.476 1.995 20 0 EDADHO COc1cc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3CN)C2)cc(OC)c1 ZINC000422864440 252003580 /nfs/dbraw/zinc/00/35/80/252003580.db2.gz NBOGEQRQVDEBTB-TXPKVOOTSA-N 1 3 333.476 1.995 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356429 252052541 /nfs/dbraw/zinc/05/25/41/252052541.db2.gz GSRFKQQDKTWPBF-GDBMZVCRSA-N 1 3 342.447 1.192 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422908678 252018931 /nfs/dbraw/zinc/01/89/31/252018931.db2.gz DOUGDDKWNPKHFV-QFBILLFUSA-N 1 3 344.503 1.742 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424216192 252165671 /nfs/dbraw/zinc/16/56/71/252165671.db2.gz IBQKDTHELUBXLR-OKZBNKHCSA-N 1 3 345.512 1.814 20 0 EDADHO C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424320401 252195817 /nfs/dbraw/zinc/19/58/17/252195817.db2.gz RNMCHDZZHOABGC-BBRMVZONSA-N 1 3 333.432 1.425 20 0 EDADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000424430766 252226473 /nfs/dbraw/zinc/22/64/73/252226473.db2.gz DBRSXOMETIRXKF-KRWDZBQOSA-N 1 3 334.464 1.812 20 0 EDADHO Cc1cc(CN)cc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000424430766 252226479 /nfs/dbraw/zinc/22/64/79/252226479.db2.gz DBRSXOMETIRXKF-KRWDZBQOSA-N 1 3 334.464 1.812 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424479867 252247991 /nfs/dbraw/zinc/24/79/91/252247991.db2.gz PDJLATSWHMUQOC-CEXWTWQISA-N 1 3 342.487 1.902 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086628 285075262 /nfs/dbraw/zinc/07/52/62/285075262.db2.gz VJCXXNXQBIBVNL-LPHOPBHVSA-N 1 3 349.475 1.430 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086628 285075264 /nfs/dbraw/zinc/07/52/64/285075264.db2.gz VJCXXNXQBIBVNL-LPHOPBHVSA-N 1 3 349.475 1.430 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1OCCN(C)C ZINC000263734635 139356599 /nfs/dbraw/zinc/35/65/99/139356599.db2.gz NOCMMSLAORJSDQ-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO O=C1OCCN1CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000496866636 255434402 /nfs/dbraw/zinc/43/44/02/255434402.db2.gz QSOOELZDKKSHRC-QAPCUYQASA-N 1 3 331.416 1.674 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)COC ZINC000341164486 285277714 /nfs/dbraw/zinc/27/77/14/285277714.db2.gz NHDCLZASKYFMFK-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)COC ZINC000341164486 285277716 /nfs/dbraw/zinc/27/77/16/285277716.db2.gz NHDCLZASKYFMFK-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H](CN1CCN(C)CC1)[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000154952770 224333216 /nfs/dbraw/zinc/33/32/16/224333216.db2.gz NRWOJTIZWJIQLM-LJQANCHMSA-N 1 3 344.547 1.919 20 0 EDADHO COCCCN(C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000174690819 533280012 /nfs/dbraw/zinc/28/00/12/533280012.db2.gz CKMXGRJKLRODJJ-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000415935364 304286215 /nfs/dbraw/zinc/28/62/15/304286215.db2.gz UQALZVZMQIXLGB-RHSMWYFYSA-N 1 3 334.464 1.715 20 0 EDADHO CN1CCN(CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000416226914 304298216 /nfs/dbraw/zinc/29/82/16/304298216.db2.gz OGSMRASHQSCTBR-SFHVURJKSA-N 1 3 346.519 1.822 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298772 /nfs/dbraw/zinc/29/87/72/304298772.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 1 3 327.472 1.989 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)CCN3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298773 /nfs/dbraw/zinc/29/87/73/304298773.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 1 3 327.472 1.989 20 0 EDADHO [NH3+]C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCCCC1 ZINC000331933142 141099842 /nfs/dbraw/zinc/09/98/42/141099842.db2.gz FCAWCRQSNYFSKU-UHFFFAOYSA-N 1 3 338.496 1.402 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000333295865 141294214 /nfs/dbraw/zinc/29/42/14/141294214.db2.gz LTYCWCOQJXWJMJ-MSOLQXFVSA-N 1 3 337.508 1.602 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCOCC1 ZINC000333575676 141339476 /nfs/dbraw/zinc/33/94/76/141339476.db2.gz JHODKMOVVSKIBH-SFHVURJKSA-N 1 3 346.475 1.523 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000337978826 141709686 /nfs/dbraw/zinc/70/96/86/141709686.db2.gz KVGGQTXPXDRMRW-FQEVSTJZSA-N 1 3 344.503 1.786 20 0 EDADHO COCCN(C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339317681 142013139 /nfs/dbraw/zinc/01/31/39/142013139.db2.gz ZEFMPCWAOKIAGP-UHFFFAOYSA-N 1 3 328.501 1.518 20 0 EDADHO C[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)CN(C)C ZINC000340395061 142375553 /nfs/dbraw/zinc/37/55/53/142375553.db2.gz PFXMPCGUMGUJMH-MLGOLLRUSA-N 1 3 325.478 1.499 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000345594070 143109646 /nfs/dbraw/zinc/10/96/46/143109646.db2.gz LUFSJXKFCZWADS-IXDOHACOSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000345594070 143109647 /nfs/dbraw/zinc/10/96/47/143109647.db2.gz LUFSJXKFCZWADS-IXDOHACOSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000345986205 143154264 /nfs/dbraw/zinc/15/42/64/143154264.db2.gz BMMOVFRANQGLFJ-CKEIUWERSA-N 1 3 345.443 1.011 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839093 143250564 /nfs/dbraw/zinc/25/05/64/143250564.db2.gz YFFUYJJLTIVKIY-NWANDNLSSA-N 1 3 326.400 1.975 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000346999746 143269761 /nfs/dbraw/zinc/26/97/61/143269761.db2.gz ZCRSFWMKGBPKJH-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1(O)CCN(C)CC1 ZINC000347419405 143318937 /nfs/dbraw/zinc/31/89/37/143318937.db2.gz NCABYEVPXSDRES-OAHLLOKOSA-N 1 3 349.475 1.379 20 0 EDADHO CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCN(C2CC2)C1 ZINC000347883137 143374579 /nfs/dbraw/zinc/37/45/79/143374579.db2.gz BWVFUTUMTWLYJJ-MRXNPFEDSA-N 1 3 331.460 1.936 20 0 EDADHO CC[C@H](C(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1)N(CC)CC ZINC000347989915 143388196 /nfs/dbraw/zinc/38/81/96/143388196.db2.gz BFWVHIVBXUWKPH-BRWVUGGUSA-N 1 3 325.497 1.819 20 0 EDADHO CC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C[NH2+]C1 ZINC000573202746 306615211 /nfs/dbraw/zinc/61/52/11/306615211.db2.gz DZBCADTZKWXMJL-UHFFFAOYSA-N 1 3 330.476 1.315 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])N2CCCC2)c1 ZINC000416842807 304350862 /nfs/dbraw/zinc/35/08/62/304350862.db2.gz KCIQLQUPLCGNMK-WMLDXEAASA-N 1 3 334.464 1.869 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416979191 304360130 /nfs/dbraw/zinc/36/01/30/304360130.db2.gz WRTPJFNWOLDQLI-WMLDXEAASA-N 1 3 334.464 1.424 20 0 EDADHO CNC(=O)NC(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354889707 150013651 /nfs/dbraw/zinc/01/36/51/150013651.db2.gz DXXZGLPKHDDREO-UHFFFAOYSA-N 1 3 333.436 1.076 20 0 EDADHO CNC(=O)NC(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354889707 150013654 /nfs/dbraw/zinc/01/36/54/150013654.db2.gz DXXZGLPKHDDREO-UHFFFAOYSA-N 1 3 333.436 1.076 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417036343 304364186 /nfs/dbraw/zinc/36/41/86/304364186.db2.gz HPJJYXHGRUTXDP-IAGOWNOFSA-N 1 3 339.528 1.221 20 0 EDADHO CC1(NC(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000417040012 304364702 /nfs/dbraw/zinc/36/47/02/304364702.db2.gz VMJLSYQZEZSGPE-UHFFFAOYSA-N 1 3 330.476 1.876 20 0 EDADHO CN1CC[C@](O)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000358063956 151254992 /nfs/dbraw/zinc/25/49/92/151254992.db2.gz JUYKWUGDQVPNJI-IBGZPJMESA-N 1 3 331.460 1.469 20 0 EDADHO C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122681 151279450 /nfs/dbraw/zinc/27/94/50/151279450.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 1 3 334.508 1.146 20 0 EDADHO C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122681 151279452 /nfs/dbraw/zinc/27/94/52/151279452.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 1 3 334.508 1.146 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491435 151392920 /nfs/dbraw/zinc/39/29/20/151392920.db2.gz FFBPTNQUHVPBOK-HRCADAONSA-N 1 3 340.512 1.467 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860535 151522052 /nfs/dbraw/zinc/52/20/52/151522052.db2.gz DSOJUZQXLKUUGN-HOTGVXAUSA-N 1 3 325.428 1.341 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000573981785 306640011 /nfs/dbraw/zinc/64/00/11/306640011.db2.gz XDQLLAIYCYPWAT-KXNHARMFSA-N 1 3 325.482 1.923 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670658 152146659 /nfs/dbraw/zinc/14/66/59/152146659.db2.gz YLMAOGXBNQYCLE-PBHICJAKSA-N 1 3 340.537 1.740 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670658 152146661 /nfs/dbraw/zinc/14/66/61/152146661.db2.gz YLMAOGXBNQYCLE-PBHICJAKSA-N 1 3 340.537 1.740 20 0 EDADHO CSC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687074 152153505 /nfs/dbraw/zinc/15/35/05/152153505.db2.gz ABVLFBFVCONXFT-LSDHHAIUSA-N 1 3 342.553 1.938 20 0 EDADHO CSC1(CNC(=O)N2CCC(C[NH+](C)C)CC2)CCN(C)CC1 ZINC000360694667 152157321 /nfs/dbraw/zinc/15/73/21/152157321.db2.gz MQRMLRGONURCKB-UHFFFAOYSA-N 1 3 342.553 1.797 20 0 EDADHO CSC1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CCN(C)CC1 ZINC000360696573 152157911 /nfs/dbraw/zinc/15/79/11/152157911.db2.gz SFRVDLQTTOSJPR-UHFFFAOYSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000360743692 152180881 /nfs/dbraw/zinc/18/08/81/152180881.db2.gz FYCHPTGPIJPVSQ-IIAWOOMASA-N 1 3 328.526 1.548 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000360743692 152180883 /nfs/dbraw/zinc/18/08/83/152180883.db2.gz FYCHPTGPIJPVSQ-IIAWOOMASA-N 1 3 328.526 1.548 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CCSC1 ZINC000360747420 152183721 /nfs/dbraw/zinc/18/37/21/152183721.db2.gz SDTFWCCAYGGKOW-QGZVFWFLSA-N 1 3 342.553 1.797 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417175599 304380202 /nfs/dbraw/zinc/38/02/02/304380202.db2.gz BFOVMLBBCORJCY-ZWKOTPCHSA-N 1 3 332.492 1.991 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCSC3)CC2)CC1 ZINC000363955350 153106294 /nfs/dbraw/zinc/10/62/94/153106294.db2.gz SLGUSAPODOAGBN-AWEZNQCLSA-N 1 3 340.537 1.597 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364213324 153175609 /nfs/dbraw/zinc/17/56/09/153175609.db2.gz HWYDTTBEPKGRGA-INIZCTEOSA-N 1 3 325.497 1.772 20 0 EDADHO CC(C)CCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367687102 154230690 /nfs/dbraw/zinc/23/06/90/154230690.db2.gz WGOAUSCAITVTCY-AEFFLSMTSA-N 1 3 338.540 1.638 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000417359308 304395000 /nfs/dbraw/zinc/39/50/00/304395000.db2.gz ILSSMXDAFWBQER-GOEBONIOSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000417527076 304403395 /nfs/dbraw/zinc/40/33/95/304403395.db2.gz NWTCYACXDMFRKC-WBVHZDCISA-N 1 3 348.491 1.609 20 0 EDADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603411 157343404 /nfs/dbraw/zinc/34/34/04/157343404.db2.gz MSJCAJKNKYJKGV-RBUKOAKNSA-N 1 3 345.487 1.564 20 0 EDADHO N[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603411 157343406 /nfs/dbraw/zinc/34/34/06/157343406.db2.gz MSJCAJKNKYJKGV-RBUKOAKNSA-N 1 3 345.487 1.564 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000378028813 158060372 /nfs/dbraw/zinc/06/03/72/158060372.db2.gz SNJDGOPJLUYHIN-KRWDZBQOSA-N 1 3 329.460 1.162 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347694093 161789433 /nfs/dbraw/zinc/78/94/33/161789433.db2.gz QUJHMNFYRZYGSZ-AWEZNQCLSA-N 1 3 331.460 1.455 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000352480447 162203991 /nfs/dbraw/zinc/20/39/91/162203991.db2.gz CBRVZRFISQMUJI-QGZVFWFLSA-N 1 3 340.537 1.694 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534396 162237747 /nfs/dbraw/zinc/23/77/47/162237747.db2.gz GEHGZJSSJQURIN-QGZVFWFLSA-N 1 3 337.489 1.512 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246283 287085545 /nfs/dbraw/zinc/08/55/45/287085545.db2.gz SNJCGKWUDXQSEL-OWCLPIDISA-N 1 3 325.497 1.410 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073717213 287263618 /nfs/dbraw/zinc/26/36/18/287263618.db2.gz PGXPOCODVHIHEP-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000073717213 287263620 /nfs/dbraw/zinc/26/36/20/287263620.db2.gz PGXPOCODVHIHEP-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000418339883 304483047 /nfs/dbraw/zinc/48/30/47/304483047.db2.gz FOVBNQDCSCYBLR-CRAIPNDOSA-N 1 3 348.491 1.987 20 0 EDADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000168091733 226206777 /nfs/dbraw/zinc/20/67/77/226206777.db2.gz BTFISFRHYZLHML-RBUKOAKNSA-N 1 3 345.487 1.548 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000168878103 226225051 /nfs/dbraw/zinc/22/50/51/226225051.db2.gz BVLOLIMFQIYVEQ-HNNXBMFYSA-N 1 3 325.522 1.854 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000418366121 304486565 /nfs/dbraw/zinc/48/65/65/304486565.db2.gz XZCLAYSYURVNRX-KZNAEPCWSA-N 1 3 348.491 1.958 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418401097 304491850 /nfs/dbraw/zinc/49/18/50/304491850.db2.gz MZQRPKZEMBSLOX-INIZCTEOSA-N 1 3 340.418 1.775 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575794 287651238 /nfs/dbraw/zinc/65/12/38/287651238.db2.gz DIXNBSKJVKERCR-GOEBONIOSA-N 1 3 325.497 1.900 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278912023 273270724 /nfs/dbraw/zinc/27/07/24/273270724.db2.gz CEPBJKXTFNIGOK-YOEHRIQHSA-N 1 3 327.432 1.519 20 0 EDADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCCF ZINC000282793547 273719495 /nfs/dbraw/zinc/71/94/95/273719495.db2.gz QIURTALTPISFAR-KBPBESRZSA-N 1 3 325.428 1.752 20 0 EDADHO CCC(CC)NC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436123 276211387 /nfs/dbraw/zinc/21/13/87/276211387.db2.gz VMKJXNVPFVDIMO-CRAIPNDOSA-N 1 3 338.540 1.780 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@H](N)Cc2ccccc2)Cc2ccccc2C1 ZINC000269269821 276768893 /nfs/dbraw/zinc/76/88/93/276768893.db2.gz RMCCREIUSBMKKD-LJQANCHMSA-N 1 3 337.467 1.772 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462865 276819225 /nfs/dbraw/zinc/81/92/25/276819225.db2.gz ZJKDXNWGBYRJJY-ULQDDVLXSA-N 1 3 346.475 1.039 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178857119 277029695 /nfs/dbraw/zinc/02/96/95/277029695.db2.gz IUJAUQZYDNAKAG-JYJNAYRXSA-N 1 3 325.497 1.580 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)N(C)C1 ZINC000347676086 277309755 /nfs/dbraw/zinc/30/97/55/277309755.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)N(C)C1 ZINC000347676086 277309757 /nfs/dbraw/zinc/30/97/57/277309757.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H](CC(N)=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000341897061 278224070 /nfs/dbraw/zinc/22/40/70/278224070.db2.gz LSMJGTFZIZJRQS-HNNXBMFYSA-N 1 3 349.475 1.530 20 0 EDADHO C[C@@H](CC(N)=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000341897061 278224071 /nfs/dbraw/zinc/22/40/71/278224071.db2.gz LSMJGTFZIZJRQS-HNNXBMFYSA-N 1 3 349.475 1.530 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000351789668 279109560 /nfs/dbraw/zinc/10/95/60/279109560.db2.gz MESFMUQUIYSAJL-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748404 279361368 /nfs/dbraw/zinc/36/13/68/279361368.db2.gz IDLTZWPCTPFMHN-GVDBMIGSSA-N 1 3 339.528 1.029 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834553 288152076 /nfs/dbraw/zinc/15/20/76/288152076.db2.gz WGSUHYKPPNDTOH-JTDSTZFVSA-N 1 3 349.519 1.676 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340075 288153252 /nfs/dbraw/zinc/15/32/52/288153252.db2.gz DJJXLEKURZLPTJ-IXDOHACOSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[C@@H](CNC(=O)N1CCOC2(CNC2)C1)[NH+]1CCC(C)CC1 ZINC000333910233 279842512 /nfs/dbraw/zinc/84/25/12/279842512.db2.gz DWFHKIZFTLSGMM-MRXNPFEDSA-N 1 3 338.496 1.127 20 0 EDADHO CN(C)CCN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)SCC2 ZINC000288548479 288511716 /nfs/dbraw/zinc/51/17/16/288511716.db2.gz VLJYQMVOWOXUMC-UHFFFAOYSA-N 1 3 338.525 1.120 20 0 EDADHO CO[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000290063183 288831917 /nfs/dbraw/zinc/83/19/17/288831917.db2.gz UUQOCFFVBUFQOT-KBPBESRZSA-N 1 3 325.478 1.611 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCCN(C)C)c(OC)c1 ZINC000290080918 288835689 /nfs/dbraw/zinc/83/56/89/288835689.db2.gz WDLLLCSXAWYZRA-HOTGVXAUSA-N 1 3 349.475 1.640 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000184586043 289277329 /nfs/dbraw/zinc/27/73/29/289277329.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000184586043 289277330 /nfs/dbraw/zinc/27/73/30/289277330.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420305284 289353271 /nfs/dbraw/zinc/35/32/71/289353271.db2.gz KBCYPWYWECQNOH-CADBVGFASA-N 1 3 344.503 1.465 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417823074 289399486 /nfs/dbraw/zinc/39/94/86/289399486.db2.gz JHRBRBWBRRDZEC-HOTGVXAUSA-N 1 3 326.510 1.209 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)c2cc(F)ccc2C[NH2+]1 ZINC000333203126 297012637 /nfs/dbraw/zinc/01/26/37/297012637.db2.gz YMSQUCWCONLNQV-ZIAGYGMSSA-N 1 3 334.439 1.321 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418695335 304529231 /nfs/dbraw/zinc/52/92/31/304529231.db2.gz JIQFWYIKWQQBQQ-KBUPBQIOSA-N 1 3 326.485 1.253 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418836034 304537850 /nfs/dbraw/zinc/53/78/50/304537850.db2.gz OTKPYSOTWPFPPJ-OAHLLOKOSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000417836230 299003551 /nfs/dbraw/zinc/00/35/51/299003551.db2.gz UUERAPPLCFNRKF-GUYCJALGSA-N 1 3 336.505 1.943 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737724 300513845 /nfs/dbraw/zinc/51/38/45/300513845.db2.gz OCFDRHCIJNVOMM-WMLDXEAASA-N 1 3 330.476 1.525 20 0 EDADHO CCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420311789 304748958 /nfs/dbraw/zinc/74/89/58/304748958.db2.gz ROKMFUAJJYSUAJ-ZWKOTPCHSA-N 1 3 332.492 1.479 20 0 EDADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420317367 304750983 /nfs/dbraw/zinc/75/09/83/304750983.db2.gz MWXPUWVUQKVWPP-CVEARBPZSA-N 1 3 348.466 1.770 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419657605 447325196 /nfs/dbraw/zinc/32/51/96/447325196.db2.gz WQFWDSZFIRETCE-GOEBONIOSA-N 1 3 346.475 1.182 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419657335 447325553 /nfs/dbraw/zinc/32/55/53/447325553.db2.gz WCUJOAKGAZXULC-HNNXBMFYSA-N 1 3 346.475 1.054 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000419657612 447325652 /nfs/dbraw/zinc/32/56/52/447325652.db2.gz WRHUEOLYZMLURE-CQSZACIVSA-N 1 3 346.475 1.182 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000414860388 447331957 /nfs/dbraw/zinc/33/19/57/447331957.db2.gz VGKGZRRPPXSGBT-QGZVFWFLSA-N 1 3 344.459 1.431 20 0 EDADHO C[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000414880589 447340900 /nfs/dbraw/zinc/34/09/00/447340900.db2.gz QLZZONGMYZYZJI-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO C[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C1CCCC1 ZINC000414880589 447340907 /nfs/dbraw/zinc/34/09/07/447340907.db2.gz QLZZONGMYZYZJI-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000423372278 304893568 /nfs/dbraw/zinc/89/35/68/304893568.db2.gz IEJNWGREHPUJPB-DNVCBOLYSA-N 1 3 345.487 1.648 20 0 EDADHO CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430602358 305058156 /nfs/dbraw/zinc/05/81/56/305058156.db2.gz GWNSCKBZTAXFPN-UHFFFAOYSA-N 1 3 337.439 1.724 20 0 EDADHO Cc1ccccc1CN1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000430614206 305059054 /nfs/dbraw/zinc/05/90/54/305059054.db2.gz YRDMSPCSUXHROP-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO [NH3+]CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000430630195 305060218 /nfs/dbraw/zinc/06/02/18/305060218.db2.gz ROXYEFCELOOXSE-UHFFFAOYSA-N 1 3 326.444 1.723 20 0 EDADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COC1CNC1 ZINC000430844412 305065839 /nfs/dbraw/zinc/06/58/39/305065839.db2.gz LHJNQMVLNZUPDO-UHFFFAOYSA-N 1 3 345.447 1.305 20 0 EDADHO CCCN1CCC(N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385494 305107253 /nfs/dbraw/zinc/10/72/53/305107253.db2.gz YIJUKMSZVGGSSB-OAHLLOKOSA-N 1 3 334.468 1.149 20 0 EDADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000438201374 305182988 /nfs/dbraw/zinc/18/29/88/305182988.db2.gz PQZODCKCVYUCJE-KRWDZBQOSA-N 1 3 337.483 1.736 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441236288 305219309 /nfs/dbraw/zinc/21/93/09/305219309.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441236288 305219310 /nfs/dbraw/zinc/21/93/10/305219310.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000453085297 305405211 /nfs/dbraw/zinc/40/52/11/305405211.db2.gz GALKHSJEXFKOQB-OAHLLOKOSA-N 1 3 341.459 1.489 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000414908152 447352437 /nfs/dbraw/zinc/35/24/37/447352437.db2.gz BBZHDPJTGONFIL-QGZVFWFLSA-N 1 3 346.475 1.677 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955322 447366179 /nfs/dbraw/zinc/36/61/79/447366179.db2.gz YZMDTAHZSXXVKY-GPMSIDNRSA-N 1 3 349.519 1.961 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414941470 447366441 /nfs/dbraw/zinc/36/64/41/447366441.db2.gz CQWDADPRSFQTJH-LSDHHAIUSA-N 1 3 332.448 1.334 20 0 EDADHO CC(C)O[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000545944951 306087934 /nfs/dbraw/zinc/08/79/34/306087934.db2.gz BZAYUELCRKKKHL-HOTGVXAUSA-N 1 3 342.528 1.713 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000552155314 306176374 /nfs/dbraw/zinc/17/63/74/306176374.db2.gz PTQGRHDCXSZRLB-ROUUACIJSA-N 1 3 333.476 1.664 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1)C(C)C ZINC000552155314 306176375 /nfs/dbraw/zinc/17/63/75/306176375.db2.gz PTQGRHDCXSZRLB-ROUUACIJSA-N 1 3 333.476 1.664 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232977 306227009 /nfs/dbraw/zinc/22/70/09/306227009.db2.gz MXTVFWZBXJMUHS-TTZDDIAXSA-N 1 3 349.504 1.133 20 0 EDADHO CC[NH2+]CCCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000557250844 306227185 /nfs/dbraw/zinc/22/71/85/306227185.db2.gz JGIVBYNSTBMEMN-HNNXBMFYSA-N 1 3 340.512 1.119 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC[C@]2(C)CC[NH2+]C2)n1 ZINC000415113609 447390258 /nfs/dbraw/zinc/39/02/58/447390258.db2.gz WSIFNGCRVDMTSH-GRDNDAEWSA-N 1 3 336.459 1.049 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N(C)C ZINC000458648759 447438055 /nfs/dbraw/zinc/43/80/55/447438055.db2.gz LDHKSTFGEVGFDS-MAUKXSAKSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)N(C)C ZINC000458648759 447438058 /nfs/dbraw/zinc/43/80/58/447438058.db2.gz LDHKSTFGEVGFDS-MAUKXSAKSA-N 1 3 348.491 1.393 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCCC1 ZINC000073243148 441304277 /nfs/dbraw/zinc/30/42/77/441304277.db2.gz OVQLSTFGWZABIH-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCCC1 ZINC000073243148 441304280 /nfs/dbraw/zinc/30/42/80/441304280.db2.gz OVQLSTFGWZABIH-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1occc1Br ZINC000081750133 441307535 /nfs/dbraw/zinc/30/75/35/441307535.db2.gz GPKHVWZJVSHRKY-UHFFFAOYSA-N 1 3 332.242 1.608 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000073749356 441350144 /nfs/dbraw/zinc/35/01/44/441350144.db2.gz QGFBNLSNXKJNBM-YESZJQIVSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000073749356 441350148 /nfs/dbraw/zinc/35/01/48/441350148.db2.gz QGFBNLSNXKJNBM-YESZJQIVSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1CCO)[NH+]1CCCCC1 ZINC000458655478 447440416 /nfs/dbraw/zinc/44/04/16/447440416.db2.gz PFOMEUVQIWOXPO-DLBZAZTESA-N 1 3 340.512 1.397 20 0 EDADHO CCO[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000074604954 441448733 /nfs/dbraw/zinc/44/87/33/441448733.db2.gz VZHWXDUAAOGRAV-HOTGVXAUSA-N 1 3 340.512 1.469 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000109172771 441491339 /nfs/dbraw/zinc/49/13/39/441491339.db2.gz UNRKEBDCPYLIFX-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000109172771 441491342 /nfs/dbraw/zinc/49/13/42/441491342.db2.gz UNRKEBDCPYLIFX-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137223497 441757359 /nfs/dbraw/zinc/75/73/59/441757359.db2.gz HZDRUSHFRAJKFR-HOCLYGCPSA-N 1 3 334.464 1.434 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137223497 441757366 /nfs/dbraw/zinc/75/73/66/441757366.db2.gz HZDRUSHFRAJKFR-HOCLYGCPSA-N 1 3 334.464 1.434 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077574834 441808345 /nfs/dbraw/zinc/80/83/45/441808345.db2.gz UMOFWNYECOXQTQ-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415440203 447442330 /nfs/dbraw/zinc/44/23/30/447442330.db2.gz NQLOVNMXROGCBR-ZBFHGGJFSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1noc(C)c1[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077829552 441872741 /nfs/dbraw/zinc/87/27/41/441872741.db2.gz WYXFDMOENXMIOM-GFCCVEGCSA-N 1 3 325.457 1.487 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079297021 442037168 /nfs/dbraw/zinc/03/71/68/442037168.db2.gz AECYJARQEMAIEX-MRXNPFEDSA-N 1 3 331.464 1.788 20 0 EDADHO C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000175732981 442113988 /nfs/dbraw/zinc/11/39/88/442113988.db2.gz SWGJXVJCAPNLRD-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000126801718 442144091 /nfs/dbraw/zinc/14/40/91/442144091.db2.gz NJKUNQAUCNQIFR-IEBWSBKVSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000126801718 442144096 /nfs/dbraw/zinc/14/40/96/442144096.db2.gz NJKUNQAUCNQIFR-IEBWSBKVSA-N 1 3 344.503 1.943 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127009071 442161703 /nfs/dbraw/zinc/16/17/03/442161703.db2.gz CEBVGICBLBZXHB-HOTGVXAUSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127009071 442161704 /nfs/dbraw/zinc/16/17/04/442161704.db2.gz CEBVGICBLBZXHB-HOTGVXAUSA-N 1 3 342.553 1.940 20 0 EDADHO COCCN1CCC(NC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000165852682 442211933 /nfs/dbraw/zinc/21/19/33/442211933.db2.gz ULKCQZYFLAZWEJ-UHFFFAOYSA-N 1 3 334.464 1.253 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000176344013 442212335 /nfs/dbraw/zinc/21/23/35/442212335.db2.gz BBDMLQSBYAMMGQ-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000176344013 442212336 /nfs/dbraw/zinc/21/23/36/442212336.db2.gz BBDMLQSBYAMMGQ-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO CN(CCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699378 442222410 /nfs/dbraw/zinc/22/24/10/442222410.db2.gz NISOLYYGLHGTJN-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168948634 442225180 /nfs/dbraw/zinc/22/51/80/442225180.db2.gz GKWPAPIABLAPTL-QGZVFWFLSA-N 1 3 335.492 1.736 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000177096458 442296158 /nfs/dbraw/zinc/29/61/58/442296158.db2.gz AVWWXKAZWAEXSX-GJZGRUSLSA-N 1 3 331.460 1.982 20 0 EDADHO COCCCN1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000171190158 442325115 /nfs/dbraw/zinc/32/51/15/442325115.db2.gz UNTFLXHVACHVHV-UHFFFAOYSA-N 1 3 342.528 1.905 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327149 /nfs/dbraw/zinc/32/71/49/442327149.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 1 3 342.528 1.620 20 0 EDADHO COCCN(C)CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327151 /nfs/dbraw/zinc/32/71/51/442327151.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 1 3 342.528 1.620 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000155256726 442383990 /nfs/dbraw/zinc/38/39/90/442383990.db2.gz RMRDYQACTBKDNH-KRWDZBQOSA-N 1 3 346.519 1.926 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318676 442387330 /nfs/dbraw/zinc/38/73/30/442387330.db2.gz ZPTXYWQWLKSABF-QZTJIDSGSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318676 442387331 /nfs/dbraw/zinc/38/73/31/442387331.db2.gz ZPTXYWQWLKSABF-QZTJIDSGSA-N 1 3 341.540 1.824 20 0 EDADHO CN1CCCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132239149 442389693 /nfs/dbraw/zinc/38/96/93/442389693.db2.gz UPSHLDMPCNYZIV-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000155779371 442426677 /nfs/dbraw/zinc/42/66/77/442426677.db2.gz NCUCQQLDLOMKOK-LPHOPBHVSA-N 1 3 346.519 1.814 20 0 EDADHO CC(C)[C@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2C1 ZINC000172301414 442438898 /nfs/dbraw/zinc/43/88/98/442438898.db2.gz CDBYEADKQNLFHP-AWEZNQCLSA-N 1 3 346.475 1.663 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000178865681 442508057 /nfs/dbraw/zinc/50/80/57/442508057.db2.gz DARMLGAFQLGRHT-ZBFHGGJFSA-N 1 3 346.479 1.210 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000179293523 442614428 /nfs/dbraw/zinc/61/44/28/442614428.db2.gz SFJZWIHWVVBYGK-RDJZCZTQSA-N 1 3 339.528 1.137 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596809 442792530 /nfs/dbraw/zinc/79/25/30/442792530.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596809 442792536 /nfs/dbraw/zinc/79/25/36/442792536.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781149 /nfs/dbraw/zinc/78/11/49/442781149.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 1 3 342.528 1.620 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781150 /nfs/dbraw/zinc/78/11/50/442781150.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 1 3 342.528 1.620 20 0 EDADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@H](C)O1 ZINC000188790947 442813847 /nfs/dbraw/zinc/81/38/47/442813847.db2.gz AIRIGJRQTRCOFR-HDEZJCGLSA-N 1 3 341.471 1.424 20 0 EDADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@H](C)O1 ZINC000188790947 442813853 /nfs/dbraw/zinc/81/38/53/442813853.db2.gz AIRIGJRQTRCOFR-HDEZJCGLSA-N 1 3 341.471 1.424 20 0 EDADHO C[C@H](NC[C@@H](O)COC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620199 442908884 /nfs/dbraw/zinc/90/88/84/442908884.db2.gz ZZFRILUEBGAUMQ-LZLYRXPVSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@@H](O)COC1CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620199 442908890 /nfs/dbraw/zinc/90/88/90/442908890.db2.gz ZZFRILUEBGAUMQ-LZLYRXPVSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248620199 442908895 /nfs/dbraw/zinc/90/88/95/442908895.db2.gz ZZFRILUEBGAUMQ-LZLYRXPVSA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255448 442919816 /nfs/dbraw/zinc/91/98/16/442919816.db2.gz XXKMDSAFELVDOB-YOEHRIQHSA-N 1 3 331.460 1.840 20 0 EDADHO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000268867869 443131454 /nfs/dbraw/zinc/13/14/54/443131454.db2.gz FSWCOBKRRJHRKY-FUHWJXTLSA-N 1 3 335.492 1.998 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236941756 443152699 /nfs/dbraw/zinc/15/26/99/443152699.db2.gz LWXRYUAZCBGWJS-UHFFFAOYSA-N 1 3 344.507 1.784 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000245382825 443220545 /nfs/dbraw/zinc/22/05/45/443220545.db2.gz LOUZAIHWDCZVJK-OWCLPIDISA-N 1 3 325.497 1.865 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3CNCCO3)c2)CC1 ZINC000269236684 443244209 /nfs/dbraw/zinc/24/42/09/443244209.db2.gz HFNYMJPERPXAMU-IBGZPJMESA-N 1 3 345.487 1.913 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269230817 443242083 /nfs/dbraw/zinc/24/20/83/443242083.db2.gz HZHCDWHAJXNPAQ-GOSISDBHSA-N 1 3 331.460 1.188 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397547011 319135301 /nfs/dbraw/zinc/13/53/01/319135301.db2.gz OXDAMXGYQMATLH-CQSZACIVSA-N 1 3 327.469 1.432 20 0 EDADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064054 319314746 /nfs/dbraw/zinc/31/47/46/319314746.db2.gz FHQORNRUNKEDBX-QWHCGFSZSA-N 1 3 342.281 1.931 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000414693083 319343447 /nfs/dbraw/zinc/34/34/47/319343447.db2.gz BSUGQOASYKUWTJ-KBPBESRZSA-N 1 3 332.448 1.635 20 0 EDADHO Cc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(OCCN(C)C)c1 ZINC000415197248 319349799 /nfs/dbraw/zinc/34/97/99/319349799.db2.gz AFEAMTPMHXEPGN-GASCZTMLSA-N 1 3 332.448 1.619 20 0 EDADHO CCN(CCN1CCCCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221024 319353200 /nfs/dbraw/zinc/35/32/00/319353200.db2.gz OOGDFTFWTOWIAZ-UHFFFAOYSA-N 1 3 346.475 1.808 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CCN1C1CCN(C)CC1 ZINC000415958940 319385360 /nfs/dbraw/zinc/38/53/60/319385360.db2.gz OJHWGSIFJMVALE-OAHLLOKOSA-N 1 3 345.491 1.778 20 0 EDADHO CC(C)[C@@H]([NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000269313294 443278249 /nfs/dbraw/zinc/27/82/49/443278249.db2.gz XXVMVOSTGCEKCD-GOSISDBHSA-N 1 3 332.492 1.688 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000266891198 443281948 /nfs/dbraw/zinc/28/19/48/443281948.db2.gz VBMRSJNJDWDVOX-SFHVURJKSA-N 1 3 342.487 1.575 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000266891198 443281951 /nfs/dbraw/zinc/28/19/51/443281951.db2.gz VBMRSJNJDWDVOX-SFHVURJKSA-N 1 3 342.487 1.575 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269277972 443263425 /nfs/dbraw/zinc/26/34/25/443263425.db2.gz YPPIURAJWCMHIX-MAUKXSAKSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)C1 ZINC000269277972 443263429 /nfs/dbraw/zinc/26/34/29/443263429.db2.gz YPPIURAJWCMHIX-MAUKXSAKSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269279699 443264201 /nfs/dbraw/zinc/26/42/01/443264201.db2.gz ZYYDXQQUAOIKDM-HNAWSFBYSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269279699 443264204 /nfs/dbraw/zinc/26/42/04/443264204.db2.gz ZYYDXQQUAOIKDM-HNAWSFBYSA-N 1 3 345.487 1.638 20 0 EDADHO C[NH+](C)CCCCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000266845302 443265397 /nfs/dbraw/zinc/26/53/97/443265397.db2.gz PGZAIPPOPCCCBC-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324742 /nfs/dbraw/zinc/32/47/42/443324742.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324746 /nfs/dbraw/zinc/32/47/46/443324746.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272490585 443337487 /nfs/dbraw/zinc/33/74/87/443337487.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 1 3 345.487 1.468 20 0 EDADHO C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272490585 443337491 /nfs/dbraw/zinc/33/74/91/443337491.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 1 3 345.487 1.468 20 0 EDADHO C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419022006 319543456 /nfs/dbraw/zinc/54/34/56/319543456.db2.gz UIZNSNMGDUUTRT-UHFFFAOYSA-N 1 3 346.475 1.014 20 0 EDADHO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000278774370 443434072 /nfs/dbraw/zinc/43/40/72/443434072.db2.gz YPNXWILNRKVDPW-JXFKEZNVSA-N 1 3 347.503 1.847 20 0 EDADHO CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264839180 443448342 /nfs/dbraw/zinc/44/83/42/443448342.db2.gz AHMMELSEXRCNCZ-LJQANCHMSA-N 1 3 346.519 1.774 20 0 EDADHO CN(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000264839180 443448349 /nfs/dbraw/zinc/44/83/49/443448349.db2.gz AHMMELSEXRCNCZ-LJQANCHMSA-N 1 3 346.519 1.774 20 0 EDADHO CN(C)[C@@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000264839180 443448355 /nfs/dbraw/zinc/44/83/55/443448355.db2.gz AHMMELSEXRCNCZ-LJQANCHMSA-N 1 3 346.519 1.774 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2c3c(nn2C)CCCC3)CC[NH2+]CC1 ZINC000423140600 319752680 /nfs/dbraw/zinc/75/26/80/319752680.db2.gz MUDVDWDDHDKQIW-AWEZNQCLSA-N 1 3 348.491 1.710 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000423637246 319796010 /nfs/dbraw/zinc/79/60/10/319796010.db2.gz BZIXWRRXXMQVDI-QAPCUYQASA-N 1 3 330.476 1.779 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423742448 319809389 /nfs/dbraw/zinc/80/93/89/319809389.db2.gz LHDJNZCIIDQZEM-IBGZPJMESA-N 1 3 333.476 1.723 20 0 EDADHO O=C1CCN(CNCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000273096576 443538065 /nfs/dbraw/zinc/53/80/65/443538065.db2.gz OXMSJHMPKWYDFK-HXUWFJFHSA-N 1 3 345.487 1.644 20 0 EDADHO C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429176499 319923511 /nfs/dbraw/zinc/92/35/11/319923511.db2.gz OIRMFRFKUABHPT-WMZOPIPTSA-N 1 3 330.476 1.394 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000434871527 320006273 /nfs/dbraw/zinc/00/62/73/320006273.db2.gz WXCUVIWESGJCHT-INIZCTEOSA-N 1 3 325.522 1.852 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000441221243 320093102 /nfs/dbraw/zinc/09/31/02/320093102.db2.gz CRIFRSHBTLVZKO-SJORKVTESA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457702131 320332339 /nfs/dbraw/zinc/33/23/39/320332339.db2.gz BJVVTRUBCUIESN-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457702133 320332352 /nfs/dbraw/zinc/33/23/52/320332352.db2.gz BJVVTRUBCUIESN-HZPDHXFCSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@@H+]1CCCC[C@H]1C ZINC000457700080 320332402 /nfs/dbraw/zinc/33/24/02/320332402.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@H+]1CCCC[C@H]1C ZINC000457700080 320332403 /nfs/dbraw/zinc/33/24/03/320332403.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495728969 320398477 /nfs/dbraw/zinc/39/84/77/320398477.db2.gz NHYHHMRNAHNWLZ-MRXNPFEDSA-N 1 3 327.469 1.507 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495728969 320398478 /nfs/dbraw/zinc/39/84/78/320398478.db2.gz NHYHHMRNAHNWLZ-MRXNPFEDSA-N 1 3 327.469 1.507 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000517360881 320448833 /nfs/dbraw/zinc/44/88/33/320448833.db2.gz BMBXDZFINHODMA-SFHVURJKSA-N 1 3 347.434 1.854 20 0 EDADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000283801184 443724184 /nfs/dbraw/zinc/72/41/84/443724184.db2.gz WDLBAMMXVWJPBA-MRXNPFEDSA-N 1 3 348.491 1.081 20 0 EDADHO CN1CCN(c2ncccc2CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000298543783 443795291 /nfs/dbraw/zinc/79/52/91/443795291.db2.gz TZOJVPOEDUWCEB-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO CN1CCN(c2ncccc2C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000298543783 443795294 /nfs/dbraw/zinc/79/52/94/443795294.db2.gz TZOJVPOEDUWCEB-UHFFFAOYSA-N 1 3 329.492 1.550 20 0 EDADHO CSc1ncc(Cl)c(C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000531118978 320649458 /nfs/dbraw/zinc/64/94/58/320649458.db2.gz QGXFQPQBQYVLCJ-UHFFFAOYSA-N 1 3 345.900 1.417 20 0 EDADHO C[C@@H](O)CN1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285314425 443938992 /nfs/dbraw/zinc/93/89/92/443938992.db2.gz NDMIGIUCEMJUGH-LJQANCHMSA-N 1 3 346.519 1.197 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293274218 443969330 /nfs/dbraw/zinc/96/93/30/443969330.db2.gz UOKRWZPVORDBOX-HNNXBMFYSA-N 1 3 348.491 1.781 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277305736 443958354 /nfs/dbraw/zinc/95/83/54/443958354.db2.gz ULALJJSNMFPNQV-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@@H](N(C)C)CC2)c1 ZINC000277305736 443958358 /nfs/dbraw/zinc/95/83/58/443958358.db2.gz ULALJJSNMFPNQV-QZTJIDSGSA-N 1 3 336.476 1.989 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000555253486 320964811 /nfs/dbraw/zinc/96/48/11/320964811.db2.gz HPXLSXPQVNBMMK-UHFFFAOYSA-N 1 3 330.432 1.506 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000557241794 321001195 /nfs/dbraw/zinc/00/11/95/321001195.db2.gz HMMLYVMKSXGFCQ-HZMVEIRTSA-N 1 3 338.496 1.127 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000563075832 321093971 /nfs/dbraw/zinc/09/39/71/321093971.db2.gz ULJKEZMYAYQQSC-ZACQAIPSSA-N 1 3 325.497 1.493 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccon3)CC2)CC1 ZINC000563379784 321107230 /nfs/dbraw/zinc/10/72/30/321107230.db2.gz XYFULGPMSCMMHV-UHFFFAOYSA-N 1 3 334.464 1.530 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000565226935 321176808 /nfs/dbraw/zinc/17/68/08/321176808.db2.gz PKRKFAKANUVILH-CRAIPNDOSA-N 1 3 330.476 1.949 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565881049 321204651 /nfs/dbraw/zinc/20/46/51/321204651.db2.gz BUCLSQDTMHMNSJ-LSDHHAIUSA-N 1 3 338.402 1.557 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000568293579 321286752 /nfs/dbraw/zinc/28/67/52/321286752.db2.gz BHAUNAZGRBPIBS-HZPDHXFCSA-N 1 3 340.512 1.055 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOCC34CCC4)CC2)CC1 ZINC000568882115 321309825 /nfs/dbraw/zinc/30/98/25/321309825.db2.gz XGQWOBLDUCCCAI-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CN2CCC(C)CC2)c1 ZINC000569003989 321314621 /nfs/dbraw/zinc/31/46/21/321314621.db2.gz WMJBBHOWQRRNEV-HNNXBMFYSA-N 1 3 346.475 1.629 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570800458 321357837 /nfs/dbraw/zinc/35/78/37/321357837.db2.gz PQUQBVKTXBJPLT-BZSNNMDCSA-N 1 3 331.460 1.301 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570800460 321357874 /nfs/dbraw/zinc/35/78/74/321357874.db2.gz PQUQBVKTXBJPLT-OKZBNKHCSA-N 1 3 331.460 1.301 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942594 321365698 /nfs/dbraw/zinc/36/56/98/321365698.db2.gz KYPOCAOYINSBEF-RTBURBONSA-N 1 3 344.503 1.944 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000571345888 321383921 /nfs/dbraw/zinc/38/39/21/321383921.db2.gz UKHJIWLKDAIFGS-INIZCTEOSA-N 1 3 334.489 1.761 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000290358619 444271481 /nfs/dbraw/zinc/27/14/81/444271481.db2.gz JIBWANYTYYTJBD-ZWKOTPCHSA-N 1 3 329.488 1.836 20 0 EDADHO C[NH+](C)CCN1CCC(NC(=O)NCc2ccc3cncn3c2)CC1 ZINC000297262043 444279312 /nfs/dbraw/zinc/27/93/12/444279312.db2.gz BTFZDDBILWPNQO-UHFFFAOYSA-N 1 3 344.463 1.160 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNCCC(=O)NC(N)=O)c2)CC1 ZINC000578006389 321705833 /nfs/dbraw/zinc/70/58/33/321705833.db2.gz DLJISLFBYSVGTJ-UHFFFAOYSA-N 1 3 332.448 1.593 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000578130676 321726991 /nfs/dbraw/zinc/72/69/91/321726991.db2.gz WTKDNIZLIMEDKO-LSDHHAIUSA-N 1 3 348.491 1.568 20 0 EDADHO CN1CCN(CC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000578771875 321829468 /nfs/dbraw/zinc/82/94/68/321829468.db2.gz HDENBZDXRUTWJY-UHFFFAOYSA-N 1 3 330.476 1.245 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000331099212 444393921 /nfs/dbraw/zinc/39/39/21/444393921.db2.gz AOSFBKGKQCHNDU-CZUORRHYSA-N 1 3 326.462 1.399 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000331099212 444393924 /nfs/dbraw/zinc/39/39/24/444393924.db2.gz AOSFBKGKQCHNDU-CZUORRHYSA-N 1 3 326.462 1.399 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079131 322007310 /nfs/dbraw/zinc/00/73/10/322007310.db2.gz JMGQKDRKSHJGDJ-UYAOXDASSA-N 1 3 342.487 1.896 20 0 EDADHO CCC(CC)[C@@H](CNC[C@@H](O)CN1CCN(C)CC1)[NH+]1CCCC1 ZINC000580709836 322085367 /nfs/dbraw/zinc/08/53/67/322085367.db2.gz OINCFVAVTAVQJQ-RTBURBONSA-N 1 3 340.556 1.085 20 0 EDADHO CCC(CC)[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)N1CCCC1 ZINC000580709836 322085368 /nfs/dbraw/zinc/08/53/68/322085368.db2.gz OINCFVAVTAVQJQ-RTBURBONSA-N 1 3 340.556 1.085 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245505 322153465 /nfs/dbraw/zinc/15/34/65/322153465.db2.gz DNQWRQGCJQSDJW-CRAIPNDOSA-N 1 3 330.476 1.677 20 0 EDADHO COC[C@]1(CNC(=O)N2CCc3ccccc3[C@@H]2CN)CCC[NH2+]1 ZINC000581487544 322183476 /nfs/dbraw/zinc/18/34/76/322183476.db2.gz USFLBMMMKZHTEV-FUHWJXTLSA-N 1 3 332.448 1.023 20 0 EDADHO CC1CCN(CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000581713794 322211924 /nfs/dbraw/zinc/21/19/24/322211924.db2.gz INADTKOBDGCZRH-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000342129099 444524393 /nfs/dbraw/zinc/52/43/93/444524393.db2.gz NDMKMFYBIDLSMZ-UONOGXRCSA-N 1 3 333.432 1.144 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)(N(C)C)C1 ZINC000343836141 444619260 /nfs/dbraw/zinc/61/92/60/444619260.db2.gz VCVUFAQOSPLLND-UVKRDEOUSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663064 /nfs/dbraw/zinc/66/30/64/444663064.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 1 3 337.508 1.532 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663068 /nfs/dbraw/zinc/66/30/68/444663068.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 1 3 337.508 1.532 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000341187154 444717640 /nfs/dbraw/zinc/71/76/40/444717640.db2.gz CGNCYVIZQDBDQF-GJZGRUSLSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000342452998 444697958 /nfs/dbraw/zinc/69/79/58/444697958.db2.gz XZIHATGAIREUKE-QZTJIDSGSA-N 1 3 339.524 1.530 20 0 EDADHO CN(CCCN(C)Cc1cnn(C)c1C(F)(F)F)CC[NH+](C)C ZINC000344047215 444749063 /nfs/dbraw/zinc/74/90/63/444749063.db2.gz YTTKZLKKWPLMJO-UHFFFAOYSA-N 1 3 335.418 1.754 20 0 EDADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000344070695 444764707 /nfs/dbraw/zinc/76/47/07/444764707.db2.gz VGIUNYHYRFUVOY-GOSISDBHSA-N 1 3 334.508 1.290 20 0 EDADHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000342657418 444800088 /nfs/dbraw/zinc/80/00/88/444800088.db2.gz LPIAYUYOBAPBMP-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000342657418 444800093 /nfs/dbraw/zinc/80/00/93/444800093.db2.gz LPIAYUYOBAPBMP-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO OCCN1CCN(CCCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000344304410 444890122 /nfs/dbraw/zinc/89/01/22/444890122.db2.gz BMDJJHXLPZVZPR-UHFFFAOYSA-N 1 3 345.487 1.442 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000337380510 445056016 /nfs/dbraw/zinc/05/60/16/445056016.db2.gz IUSHGTBZTOJSDC-SFHVURJKSA-N 1 3 339.524 1.315 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092613 445057838 /nfs/dbraw/zinc/05/78/38/445057838.db2.gz CXFXADJJPBOIJA-ZWKOTPCHSA-N 1 3 336.524 1.249 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000337499429 445105851 /nfs/dbraw/zinc/10/58/51/445105851.db2.gz BIONGIMHHJXWLM-QZTJIDSGSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343567964 445245858 /nfs/dbraw/zinc/24/58/58/445245858.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 1 3 336.524 1.393 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343567964 445245859 /nfs/dbraw/zinc/24/58/59/445245859.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 1 3 336.524 1.393 20 0 EDADHO CCN(CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123215 445280741 /nfs/dbraw/zinc/28/07/41/445280741.db2.gz DGFFEJVZELZVPV-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455944 /nfs/dbraw/zinc/45/59/44/445455944.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455950 /nfs/dbraw/zinc/45/59/50/445455950.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 1 3 349.519 1.963 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)CCOC3CNC3)cc21 ZINC000348987918 445467083 /nfs/dbraw/zinc/46/70/83/445467083.db2.gz AGBFHETXPDDXKL-UHFFFAOYSA-N 1 3 330.432 1.520 20 0 EDADHO CN(C)CCN1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352102373 445493295 /nfs/dbraw/zinc/49/32/95/445493295.db2.gz MPXSJRDNXSYEPU-UHFFFAOYSA-N 1 3 332.448 1.247 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038353 445539880 /nfs/dbraw/zinc/53/98/80/445539880.db2.gz NGIWOPXZBKGMPM-CVEARBPZSA-N 1 3 348.491 1.848 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360038353 445539883 /nfs/dbraw/zinc/53/98/83/445539883.db2.gz NGIWOPXZBKGMPM-CVEARBPZSA-N 1 3 348.491 1.848 20 0 EDADHO CNC(=O)c1cccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515660 445627143 /nfs/dbraw/zinc/62/71/43/445627143.db2.gz NCPNBBWFBDDLAF-AWEZNQCLSA-N 1 3 344.459 1.449 20 0 EDADHO CN(CCc1ccc2c(c1)OCCO2)CC[N@H+](C)C1CCN(C)CC1 ZINC000360208403 445629293 /nfs/dbraw/zinc/62/92/93/445629293.db2.gz LMSLJEDOOQUFHS-UHFFFAOYSA-N 1 3 347.503 1.958 20 0 EDADHO CN(CCc1ccc2c(c1)OCCO2)CC[N@@H+](C)C1CCN(C)CC1 ZINC000360208403 445629295 /nfs/dbraw/zinc/62/92/95/445629295.db2.gz LMSLJEDOOQUFHS-UHFFFAOYSA-N 1 3 347.503 1.958 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000362969406 445631532 /nfs/dbraw/zinc/63/15/32/445631532.db2.gz LYCUIQTUQCYASY-XJKSGUPXSA-N 1 3 332.448 1.691 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000362969406 445631538 /nfs/dbraw/zinc/63/15/38/445631538.db2.gz LYCUIQTUQCYASY-XJKSGUPXSA-N 1 3 332.448 1.691 20 0 EDADHO COc1ccsc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000349811527 445686178 /nfs/dbraw/zinc/68/61/78/445686178.db2.gz HKHHQUGENXRLMH-OAHLLOKOSA-N 1 3 341.521 1.797 20 0 EDADHO CSCC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353714087 445721265 /nfs/dbraw/zinc/72/12/65/445721265.db2.gz UHGHPFYBNJRLTG-OAHLLOKOSA-N 1 3 342.553 1.133 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700188 445725558 /nfs/dbraw/zinc/72/55/58/445725558.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000358700188 445725561 /nfs/dbraw/zinc/72/55/61/445725561.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 1 3 340.512 1.110 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000363226323 445731066 /nfs/dbraw/zinc/73/10/66/445731066.db2.gz UUIPVHKPFFTGPP-ZWKOTPCHSA-N 1 3 348.491 1.482 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)C(C)(C)C ZINC000360870595 445736534 /nfs/dbraw/zinc/73/65/34/445736534.db2.gz IPHSJSNWSLYMDC-BZUAXINKSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCCNC(=O)C(C)(C)C ZINC000360870595 445736536 /nfs/dbraw/zinc/73/65/36/445736536.db2.gz IPHSJSNWSLYMDC-BZUAXINKSA-N 1 3 325.497 1.628 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860534 445815568 /nfs/dbraw/zinc/81/55/68/445815568.db2.gz DSOJUZQXLKUUGN-CVEARBPZSA-N 1 3 325.428 1.341 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354087361 445894503 /nfs/dbraw/zinc/89/45/03/445894503.db2.gz ZQEVVQGYQWCYCL-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354087361 445894505 /nfs/dbraw/zinc/89/45/05/445894505.db2.gz ZQEVVQGYQWCYCL-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)N(C)C)cc1 ZINC000361723173 445899148 /nfs/dbraw/zinc/89/91/48/445899148.db2.gz LTQLDMNNAASYQA-UYAOXDASSA-N 1 3 347.503 1.984 20 0 EDADHO CC(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000373004248 445969609 /nfs/dbraw/zinc/96/96/09/445969609.db2.gz BIIMRUARHSNHSA-ROUUACIJSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000359147705 445981759 /nfs/dbraw/zinc/98/17/59/445981759.db2.gz XJTOVVZVSXIMFO-GPMSIDNRSA-N 1 3 345.487 1.395 20 0 EDADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCOCC1 ZINC000354198837 445991775 /nfs/dbraw/zinc/99/17/75/445991775.db2.gz MEWXQRVWKFHCLJ-KRWDZBQOSA-N 1 3 332.492 1.998 20 0 EDADHO CCCCOC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000366133590 446034369 /nfs/dbraw/zinc/03/43/69/446034369.db2.gz YGTRYPHUWWXUJM-KSZLIROESA-N 1 3 327.513 1.122 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)C2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000583142520 326011502 /nfs/dbraw/zinc/01/15/02/326011502.db2.gz BBVUXMSJDRAUNO-SFHVURJKSA-N 1 3 331.460 1.475 20 0 EDADHO COC(=O)CCn1nc(C)c(CNCc2ccc(C[NH3+])cc2)c1C ZINC000583440469 326074089 /nfs/dbraw/zinc/07/40/89/326074089.db2.gz GKJBVGKOEBRLGX-UHFFFAOYSA-N 1 3 330.432 1.812 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000583630225 326107987 /nfs/dbraw/zinc/10/79/87/326107987.db2.gz PGLFVNSWJSFNTO-SQNIBIBYSA-N 1 3 349.450 1.613 20 0 EDADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCCOC1 ZINC000356848924 446068324 /nfs/dbraw/zinc/06/83/24/446068324.db2.gz PIOKNRGENPWNDV-MAUKXSAKSA-N 1 3 333.476 1.883 20 0 EDADHO COC[C@@H]1CCCCN(C[C@@H](O)C[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071920 /nfs/dbraw/zinc/07/19/20/446071920.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 1 3 342.524 1.844 20 0 EDADHO COC[C@@H]1CCCCN(C[C@@H](O)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071924 /nfs/dbraw/zinc/07/19/24/446071924.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 1 3 342.524 1.844 20 0 EDADHO COC[C@@H]1CCCC[N@@H+](C[C@@H](O)CN2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071931 /nfs/dbraw/zinc/07/19/31/446071931.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 1 3 342.524 1.844 20 0 EDADHO COC[C@@H]1CCCC[N@H+](C[C@@H](O)CN2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071937 /nfs/dbraw/zinc/07/19/37/446071937.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 1 3 342.524 1.844 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359351018 446167460 /nfs/dbraw/zinc/16/74/60/446167460.db2.gz MACDPHRSQVUSBR-IAGOWNOFSA-N 1 3 330.476 1.695 20 0 EDADHO CC1CCN(C(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000370264938 446202675 /nfs/dbraw/zinc/20/26/75/446202675.db2.gz DRDPVNWDSOVQCH-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC(N2CCCCC2)C1 ZINC000373467719 446227260 /nfs/dbraw/zinc/22/72/60/446227260.db2.gz SHCAAQKXQUGWKC-UHFFFAOYSA-N 1 3 327.428 1.889 20 0 EDADHO COCCN1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417292347 446339491 /nfs/dbraw/zinc/33/94/91/446339491.db2.gz CISMTWVBPUYNFT-UHFFFAOYSA-N 1 3 326.485 1.448 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417365790 446350159 /nfs/dbraw/zinc/35/01/59/446350159.db2.gz MNNQJNDLEWFLRV-CABCVRRESA-N 1 3 336.505 1.963 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000417545405 446364013 /nfs/dbraw/zinc/36/40/13/446364013.db2.gz JPOPNEZWZFFQRO-UKRRQHHQSA-N 1 3 326.485 1.302 20 0 EDADHO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371288 /nfs/dbraw/zinc/37/12/88/446371288.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891237 446390993 /nfs/dbraw/zinc/39/09/93/446390993.db2.gz QPSYXJYKWSEFGA-NJAFHUGGSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000365891237 446390999 /nfs/dbraw/zinc/39/09/99/446390999.db2.gz QPSYXJYKWSEFGA-NJAFHUGGSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418072559 446431156 /nfs/dbraw/zinc/43/11/56/446431156.db2.gz KRXMSHJTUUMVNV-AEFFLSMTSA-N 1 3 348.491 1.432 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H](C)CN1 ZINC000418187108 446452467 /nfs/dbraw/zinc/45/24/67/446452467.db2.gz CWWDVYYCEYZYSR-GJZGRUSLSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H](CC(=O)N1CCCN(C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774874 446433003 /nfs/dbraw/zinc/43/30/03/446433003.db2.gz TXLUYEUIQXGIFY-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420268845 446441826 /nfs/dbraw/zinc/44/18/26/446441826.db2.gz HEGPLOIFJAUQCD-RYQLBKOJSA-N 1 3 332.492 1.607 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000418177959 446448277 /nfs/dbraw/zinc/44/82/77/446448277.db2.gz IBMVSEIYWYCAFC-LMSBXDPUSA-N 1 3 330.476 1.990 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000418186050 446451092 /nfs/dbraw/zinc/45/10/92/446451092.db2.gz RLPIDGBGGKKYAC-OWLYRPNTSA-N 1 3 330.476 1.929 20 0 EDADHO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417995594 446410493 /nfs/dbraw/zinc/41/04/93/446410493.db2.gz QGLHJLFSRYTXRV-ZWKOTPCHSA-N 1 3 346.475 1.276 20 0 EDADHO C[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H](c1ccccc1)N(C)C ZINC000418189392 446454211 /nfs/dbraw/zinc/45/42/11/446454211.db2.gz VKZWMQGXQPSGGC-XIRDDKMYSA-N 1 3 334.464 1.437 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN(C)CC1 ZINC000418197568 446455547 /nfs/dbraw/zinc/45/55/47/446455547.db2.gz JPIMCDIQNLJRMV-KGLIPLIRSA-N 1 3 326.510 1.350 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](N)C2CCC2)c1 ZINC000423329222 446492068 /nfs/dbraw/zinc/49/20/68/446492068.db2.gz OGTLCLWUAKFQRC-QGZVFWFLSA-N 1 3 346.475 1.824 20 0 EDADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420327432 446495431 /nfs/dbraw/zinc/49/54/31/446495431.db2.gz GHKQNRIHDQEHRL-AEFFLSMTSA-N 1 3 348.443 1.680 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CCN(C2CC2)C1 ZINC000418328310 446501114 /nfs/dbraw/zinc/50/11/14/446501114.db2.gz NPUDYXACVPUUQN-INIZCTEOSA-N 1 3 345.491 1.687 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000423371894 446505208 /nfs/dbraw/zinc/50/52/08/446505208.db2.gz FZGLRZSGXXPTNL-UHFFFAOYSA-N 1 3 349.475 1.054 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337937 446508188 /nfs/dbraw/zinc/50/81/88/446508188.db2.gz KJFPJXMIVVBDSJ-SJORKVTESA-N 1 3 331.460 1.503 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341816 446514220 /nfs/dbraw/zinc/51/42/20/446514220.db2.gz QHWGLYMAOPLERK-YUELXQCFSA-N 1 3 330.432 1.044 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CNCCN2C)CC1 ZINC000423518406 446559119 /nfs/dbraw/zinc/55/91/19/446559119.db2.gz OOHWRGPOPSEDFB-FXAWDEMLSA-N 1 3 330.520 1.575 20 0 EDADHO CN1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493377 446564742 /nfs/dbraw/zinc/56/47/42/446564742.db2.gz WFSTYPBVCHINMI-MJGOQNOKSA-N 1 3 342.443 1.205 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000433014811 446528531 /nfs/dbraw/zinc/52/85/31/446528531.db2.gz HBCMQDYEOJFDAB-OAHLLOKOSA-N 1 3 325.478 1.320 20 0 EDADHO CC(C)(C)[C@@H](C[NH3+])NCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420355941 446535007 /nfs/dbraw/zinc/53/50/07/446535007.db2.gz FSFVEOZDNOBPNL-OAHLLOKOSA-N 1 3 328.478 1.822 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418416982 446537524 /nfs/dbraw/zinc/53/75/24/446537524.db2.gz UTGCJEBIXFBFSM-HRCADAONSA-N 1 3 326.485 1.256 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000453594095 446567477 /nfs/dbraw/zinc/56/74/77/446567477.db2.gz WKKRZQFFDKVROU-HXUWFJFHSA-N 1 3 344.503 1.977 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420364135 446545127 /nfs/dbraw/zinc/54/51/27/446545127.db2.gz IHYJZZFICCZVKT-GPMSIDNRSA-N 1 3 344.503 1.435 20 0 EDADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373204 446550986 /nfs/dbraw/zinc/55/09/86/446550986.db2.gz QWZDZQVQRIAEDK-XJKCOSOUSA-N 1 3 326.462 1.445 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000418520854 446578445 /nfs/dbraw/zinc/57/84/45/446578445.db2.gz HYIKUHJXMQBNKI-LJQANCHMSA-N 1 3 344.503 1.946 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418529363 446581970 /nfs/dbraw/zinc/58/19/70/446581970.db2.gz TXLSHLNHTNROOI-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409404 446583532 /nfs/dbraw/zinc/58/35/32/446583532.db2.gz VNULWNPIQZDDHT-ZTFGCOKTSA-N 1 3 328.460 1.968 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418538661 446585441 /nfs/dbraw/zinc/58/54/41/446585441.db2.gz DWKXBYFVHBMIGW-DOTOQJQBSA-N 1 3 333.480 1.815 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418658364 446636914 /nfs/dbraw/zinc/63/69/14/446636914.db2.gz VQCIACLDKBEXSW-KRWDZBQOSA-N 1 3 327.432 1.477 20 0 EDADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418666425 446640104 /nfs/dbraw/zinc/64/01/04/446640104.db2.gz DCTWQVFTDWZRJM-JKSUJKDBSA-N 1 3 339.528 1.314 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000375202407 446640589 /nfs/dbraw/zinc/64/05/89/446640589.db2.gz QKRCENQLPQQPIS-JKSUJKDBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418644946 446630557 /nfs/dbraw/zinc/63/05/57/446630557.db2.gz VOBNHTZCRGXJLG-HFTRVMKXSA-N 1 3 328.460 1.752 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418644946 446630560 /nfs/dbraw/zinc/63/05/60/446630560.db2.gz VOBNHTZCRGXJLG-HFTRVMKXSA-N 1 3 328.460 1.752 20 0 EDADHO COCCN(CCN(C)C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423750219 446679836 /nfs/dbraw/zinc/67/98/36/446679836.db2.gz XGCSQHSCAVZYLJ-UHFFFAOYSA-N 1 3 346.475 1.640 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423752233 446682225 /nfs/dbraw/zinc/68/22/25/446682225.db2.gz VRANPVVDXQZKQS-YJBOKZPZSA-N 1 3 337.414 1.855 20 0 EDADHO COCCNCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423895627 446748990 /nfs/dbraw/zinc/74/89/90/446748990.db2.gz GAUWPLYSOWZALA-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO COCCNCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423895627 446748997 /nfs/dbraw/zinc/74/89/97/446748997.db2.gz GAUWPLYSOWZALA-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO O=C(COC1CNC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423900534 446751845 /nfs/dbraw/zinc/75/18/45/446751845.db2.gz KGJUUBVXKFPXOH-HKUYNNGSSA-N 1 3 343.471 1.488 20 0 EDADHO O=C(COC1CNC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423900534 446751853 /nfs/dbraw/zinc/75/18/53/446751853.db2.gz KGJUUBVXKFPXOH-HKUYNNGSSA-N 1 3 343.471 1.488 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894337 446779630 /nfs/dbraw/zinc/77/96/30/446779630.db2.gz BAFDQFZNMGKGLT-OAHLLOKOSA-N 1 3 340.512 1.247 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419020938 446871430 /nfs/dbraw/zinc/87/14/30/446871430.db2.gz GLNPZYLTBJHHHZ-INMHGKMJSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419020938 446871435 /nfs/dbraw/zinc/87/14/35/446871435.db2.gz GLNPZYLTBJHHHZ-INMHGKMJSA-N 1 3 346.475 1.039 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457927 446875791 /nfs/dbraw/zinc/87/57/91/446875791.db2.gz RWXBGXYOUUGBSN-INIZCTEOSA-N 1 3 332.448 1.383 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000424457612 446876024 /nfs/dbraw/zinc/87/60/24/446876024.db2.gz RTTYZTVIVRXFDP-WBVHZDCISA-N 1 3 344.459 1.335 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000424457612 446876030 /nfs/dbraw/zinc/87/60/30/446876030.db2.gz RTTYZTVIVRXFDP-WBVHZDCISA-N 1 3 344.459 1.335 20 0 EDADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419096726 446921662 /nfs/dbraw/zinc/92/16/62/446921662.db2.gz CSSVZZYTUNCKFK-HNNXBMFYSA-N 1 3 338.496 1.145 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)(C)C ZINC000419131224 446941029 /nfs/dbraw/zinc/94/10/29/446941029.db2.gz GLBUJQJFVCYVSY-GJZGRUSLSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@@H+]1C ZINC000371765772 446959369 /nfs/dbraw/zinc/95/93/69/446959369.db2.gz MTEOHZNLJNQKDD-WMZOPIPTSA-N 1 3 347.507 1.924 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@H+]1C ZINC000371765772 446959375 /nfs/dbraw/zinc/95/93/75/446959375.db2.gz MTEOHZNLJNQKDD-WMZOPIPTSA-N 1 3 347.507 1.924 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419149636 446964498 /nfs/dbraw/zinc/96/44/98/446964498.db2.gz FMPBOPVWGRFYMA-HZPDHXFCSA-N 1 3 340.512 1.247 20 0 EDADHO COC1(C(=O)NC[C@H]2CCN(C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099679 447000523 /nfs/dbraw/zinc/00/05/23/447000523.db2.gz XOQWTFXUGCPAOF-UKRRQHHQSA-N 1 3 337.489 1.626 20 0 EDADHO CN(C[C@H](O)COc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829258 447084645 /nfs/dbraw/zinc/08/46/45/447084645.db2.gz FSRUGZJDPYIOFK-OALUTQOASA-N 1 3 347.503 1.527 20 0 EDADHO CN(C[C@H](O)COc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829258 447084657 /nfs/dbraw/zinc/08/46/57/447084657.db2.gz FSRUGZJDPYIOFK-OALUTQOASA-N 1 3 347.503 1.527 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851124 447099303 /nfs/dbraw/zinc/09/93/03/447099303.db2.gz KSKPQTWANOJHIA-KFWWJZLASA-N 1 3 329.452 1.307 20 0 EDADHO Cc1cc(NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851124 447099308 /nfs/dbraw/zinc/09/93/08/447099308.db2.gz KSKPQTWANOJHIA-KFWWJZLASA-N 1 3 329.452 1.307 20 0 EDADHO CCCCOC[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375915380 447146873 /nfs/dbraw/zinc/14/68/73/447146873.db2.gz CXGDLPCMKHDMCC-SFHVURJKSA-N 1 3 341.540 1.514 20 0 EDADHO CCC[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574992 447155961 /nfs/dbraw/zinc/15/59/61/447155961.db2.gz ZIYDAILAKQSKHU-CGTJXYLNSA-N 1 3 349.523 1.992 20 0 EDADHO C[C@@H](C(=O)NCC1(N2CCSCC2)CCCCC1)C1C[NH2+]C1 ZINC000375962868 447178395 /nfs/dbraw/zinc/17/83/95/447178395.db2.gz HSQLGCJXZYROBG-CQSZACIVSA-N 1 3 325.522 1.710 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000455670607 447205342 /nfs/dbraw/zinc/20/53/42/447205342.db2.gz RCPWECUNSKQCAS-UHFFFAOYSA-N 1 3 336.484 1.829 20 0 EDADHO COC[C@]1(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488629 447478896 /nfs/dbraw/zinc/47/88/96/447478896.db2.gz LUHDKSUETPILQT-ICSRJNTNSA-N 1 3 345.487 1.736 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415501854 447484563 /nfs/dbraw/zinc/48/45/63/447484563.db2.gz WREYOMWZBXFIEH-UHFFFAOYSA-N 1 3 334.464 1.363 20 0 EDADHO C[C@H](NCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000390541886 447495139 /nfs/dbraw/zinc/49/51/39/447495139.db2.gz HNBJSEPFSJVQDY-AZUAARDMSA-N 1 3 330.520 1.924 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390884215 447505004 /nfs/dbraw/zinc/50/50/04/447505004.db2.gz XHPZFUSHPMBHHM-IEBWSBKVSA-N 1 3 333.476 1.911 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390925372 447507156 /nfs/dbraw/zinc/50/71/56/447507156.db2.gz JEFWZXWZEGGOSZ-OTWHNJEPSA-N 1 3 345.487 1.911 20 0 EDADHO CCc1nn(C)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465145 447524050 /nfs/dbraw/zinc/52/40/50/447524050.db2.gz BJFHHFRGRBYYDS-PBHICJAKSA-N 1 3 333.480 1.063 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420027751 447554280 /nfs/dbraw/zinc/55/42/80/447554280.db2.gz LEURMDZVIZAPNI-ZMSDIMECSA-N 1 3 346.475 1.134 20 0 EDADHO CCOc1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)ccc1O ZINC000459424219 447661591 /nfs/dbraw/zinc/66/15/91/447661591.db2.gz JBTIMMJDHLFSRQ-OAHLLOKOSA-N 1 3 335.448 1.468 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000422716395 447726937 /nfs/dbraw/zinc/72/69/37/447726937.db2.gz UMLQKKHNNLWMRJ-XLIONFOSSA-N 1 3 330.520 1.912 20 0 EDADHO C[C@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422718693 447727882 /nfs/dbraw/zinc/72/78/82/447727882.db2.gz XISOHPBGDVWDHL-GOEBONIOSA-N 1 3 331.460 1.474 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750690 447738416 /nfs/dbraw/zinc/73/84/16/447738416.db2.gz AIQVSKGRNNRICE-RISCZKNCSA-N 1 3 331.869 1.335 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429373797 447745927 /nfs/dbraw/zinc/74/59/27/447745927.db2.gz UBGGTINQEMBABN-RDJZCZTQSA-N 1 3 339.480 1.106 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458318731 447768124 /nfs/dbraw/zinc/76/81/24/447768124.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458318731 447768128 /nfs/dbraw/zinc/76/81/28/447768128.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946516 447777608 /nfs/dbraw/zinc/77/76/08/447777608.db2.gz OZPSBVUSWWIWGN-HIFRSBDPSA-N 1 3 343.493 1.341 20 0 EDADHO CC[C@H]([NH2+]CCN1CCN(C(=O)C2CCC2)CC1)[C@@H]1CCCCN1 ZINC000422956225 447780187 /nfs/dbraw/zinc/78/01/87/447780187.db2.gz OTEGLHVVPKDKGI-ROUUACIJSA-N 1 3 336.524 1.441 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC34CCOCC4)CC2)CC1 ZINC000530896235 447979696 /nfs/dbraw/zinc/97/96/96/447979696.db2.gz KYZOYQPTCRACFA-KRWDZBQOSA-N 1 3 335.492 1.478 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)CC1CCCCC1 ZINC000531357090 448069578 /nfs/dbraw/zinc/06/95/78/448069578.db2.gz CKCGNANWUBUHOY-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570047 448108317 /nfs/dbraw/zinc/10/83/17/448108317.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 1 3 343.471 1.222 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570047 448108324 /nfs/dbraw/zinc/10/83/24/448108324.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 1 3 343.471 1.222 20 0 EDADHO FC(F)(F)c1ccn([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)n1 ZINC000571404100 448147987 /nfs/dbraw/zinc/14/79/87/448147987.db2.gz FPVHLTHZAODJMG-ZDUSSCGKSA-N 1 3 331.386 1.444 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571777577 448205453 /nfs/dbraw/zinc/20/54/53/448205453.db2.gz YYUWZWOYMPBKNL-MWIANEHASA-N 1 3 328.460 1.414 20 0 EDADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H]1CCOC1 ZINC000577075179 448206298 /nfs/dbraw/zinc/20/62/98/448206298.db2.gz AUXBIVUYTGFOTB-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO CC(=O)NCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000527375770 448220123 /nfs/dbraw/zinc/22/01/23/448220123.db2.gz UTDQFZDEGAPZOF-UHFFFAOYSA-N 1 3 349.479 1.280 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000572056743 448273543 /nfs/dbraw/zinc/27/35/43/448273543.db2.gz ZFXVXYLFWBRURL-IYBDPMFKSA-N 1 3 349.523 1.931 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000572056743 448273548 /nfs/dbraw/zinc/27/35/48/448273548.db2.gz ZFXVXYLFWBRURL-IYBDPMFKSA-N 1 3 349.523 1.931 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572000146 448258838 /nfs/dbraw/zinc/25/88/38/448258838.db2.gz NQBCNNYPPSAKTR-JKSUJKDBSA-N 1 3 334.468 1.165 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000572000146 448258841 /nfs/dbraw/zinc/25/88/41/448258841.db2.gz NQBCNNYPPSAKTR-JKSUJKDBSA-N 1 3 334.468 1.165 20 0 EDADHO CC(=O)Nc1cccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000515347534 448294737 /nfs/dbraw/zinc/29/47/37/448294737.db2.gz DZTDUPMHGAFVGO-UHFFFAOYSA-N 1 3 334.464 1.139 20 0 EDADHO COC(=O)CC1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000591272328 448303382 /nfs/dbraw/zinc/30/33/82/448303382.db2.gz AANSRHYTWDFTRU-AWEZNQCLSA-N 1 3 325.453 1.039 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000566179032 448405925 /nfs/dbraw/zinc/40/59/25/448405925.db2.gz MFCCTTVVCUTVFH-AEFFLSMTSA-N 1 3 331.460 1.082 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@H](O)C3(C)C)CC2)CC1 ZINC000577744035 448376241 /nfs/dbraw/zinc/37/62/41/448376241.db2.gz CICUUQHVQDVAON-IRXDYDNUSA-N 1 3 337.508 1.458 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000578050632 448450522 /nfs/dbraw/zinc/45/05/22/448450522.db2.gz PUPIDQYVHZBZBL-HOTGVXAUSA-N 1 3 326.485 1.031 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000516782532 448473896 /nfs/dbraw/zinc/47/38/96/448473896.db2.gz UDMPYJDVSDIJQE-QGZVFWFLSA-N 1 3 345.491 1.052 20 0 EDADHO C[C@H](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1)[NH+]1CCCCC1 ZINC000572834742 448475029 /nfs/dbraw/zinc/47/50/29/448475029.db2.gz YHTVATCOZWSSMW-HYVNUMGLSA-N 1 3 348.495 1.121 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCOC[C@H]3C)CC2)CC1 ZINC000566449760 448477344 /nfs/dbraw/zinc/47/73/44/448477344.db2.gz RQQQDECFVGOJPC-CRAIPNDOSA-N 1 3 337.508 1.724 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)CC1 ZINC000566449761 448477511 /nfs/dbraw/zinc/47/75/11/448477511.db2.gz RQQQDECFVGOJPC-MAUKXSAKSA-N 1 3 337.508 1.724 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578152172 448473470 /nfs/dbraw/zinc/47/34/70/448473470.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000578152172 448473475 /nfs/dbraw/zinc/47/34/75/448473475.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000566537168 448500929 /nfs/dbraw/zinc/50/09/29/448500929.db2.gz UQOKHECDRQSJKH-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)COc2ccc(F)cc2)CC1 ZINC000566791466 448559179 /nfs/dbraw/zinc/55/91/79/448559179.db2.gz CCHXXDSPMNDGJA-KRWDZBQOSA-N 1 3 340.439 1.656 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CSC)cc2)CC1 ZINC000573595681 448667477 /nfs/dbraw/zinc/66/74/77/448667477.db2.gz LMYPBEWOXGMRMW-GOSISDBHSA-N 1 3 337.533 1.638 20 0 EDADHO CN1CCN(CCCCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000542813515 448722344 /nfs/dbraw/zinc/72/23/44/448722344.db2.gz OJYXZIOSEAKYPU-UHFFFAOYSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000542785508 448719437 /nfs/dbraw/zinc/71/94/37/448719437.db2.gz ZMKXJDPWCSEXBO-IAGOWNOFSA-N 1 3 348.491 1.914 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000542785507 448719603 /nfs/dbraw/zinc/71/96/03/448719603.db2.gz ZMKXJDPWCSEXBO-CALCHBBNSA-N 1 3 348.491 1.914 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296972 448812188 /nfs/dbraw/zinc/81/21/88/448812188.db2.gz HAXVPCYKEASXFU-RDJZCZTQSA-N 1 3 346.475 1.629 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000521359119 448974656 /nfs/dbraw/zinc/97/46/56/448974656.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000521359119 448974659 /nfs/dbraw/zinc/97/46/59/448974659.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000582074162 449005194 /nfs/dbraw/zinc/00/51/94/449005194.db2.gz DIJWTPFRTWQVQT-ROUUACIJSA-N 1 3 330.476 1.697 20 0 EDADHO C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000592956110 449076935 /nfs/dbraw/zinc/07/69/35/449076935.db2.gz DJQVHFYMTRYPPT-QLFBSQMISA-N 1 3 333.480 1.712 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCOC(C)(C)C)CC2)CC1 ZINC000522409041 449080507 /nfs/dbraw/zinc/08/05/07/449080507.db2.gz TUVBKCWMUQQTHO-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000611696496 449385977 /nfs/dbraw/zinc/38/59/77/449385977.db2.gz QWVKYDWCWRYWGN-SFHVURJKSA-N 1 3 345.487 1.439 20 0 EDADHO COC(=O)CCC[C@@H]1CCC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000600715417 449513216 /nfs/dbraw/zinc/51/32/16/449513216.db2.gz YBGLKDJFHXBRQB-YQQAZPJKSA-N 1 3 349.479 1.804 20 0 EDADHO CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583263 449584472 /nfs/dbraw/zinc/58/44/72/449584472.db2.gz GFJAIZZGARNKQN-LSDHHAIUSA-N 1 3 327.469 1.140 20 0 EDADHO Cc1cc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n2n1 ZINC000617504290 449650427 /nfs/dbraw/zinc/65/04/27/449650427.db2.gz OLEZGXIYJCJZOF-AWEZNQCLSA-N 1 3 346.479 1.348 20 0 EDADHO Cc1cc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n2n1 ZINC000617504290 449650429 /nfs/dbraw/zinc/65/04/29/449650429.db2.gz OLEZGXIYJCJZOF-AWEZNQCLSA-N 1 3 346.479 1.348 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccco2)on1 ZINC000617504224 449650949 /nfs/dbraw/zinc/65/09/49/449650949.db2.gz LLDZHKUVROQRCN-ZDUSSCGKSA-N 1 3 334.420 1.936 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccco2)on1 ZINC000617504224 449650952 /nfs/dbraw/zinc/65/09/52/449650952.db2.gz LLDZHKUVROQRCN-ZDUSSCGKSA-N 1 3 334.420 1.936 20 0 EDADHO Cc1noc(C(F)F)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505625 449652781 /nfs/dbraw/zinc/65/27/81/449652781.db2.gz KOQAXBKYHGHUBL-JTQLQIEISA-N 1 3 332.395 1.922 20 0 EDADHO Cc1noc(C(F)F)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505625 449652787 /nfs/dbraw/zinc/65/27/87/449652787.db2.gz KOQAXBKYHGHUBL-JTQLQIEISA-N 1 3 332.395 1.922 20 0 EDADHO COC(=O)CC1CCC([NH2+]CCCN2CCCN(C)CC2)CC1 ZINC000599028768 449704053 /nfs/dbraw/zinc/70/40/53/449704053.db2.gz XNFOZVOIHVHDSW-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000608348547 449813547 /nfs/dbraw/zinc/81/35/47/449813547.db2.gz GMHHOKRUEZUSDZ-GOSISDBHSA-N 1 3 346.475 1.523 20 0 EDADHO CS[C@@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000602800827 449819378 /nfs/dbraw/zinc/81/93/78/449819378.db2.gz VQAJQKNAHDBGEV-OTWHNJEPSA-N 1 3 349.544 1.601 20 0 EDADHO CS[C@@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@@H]1N(C)C ZINC000602800827 449819382 /nfs/dbraw/zinc/81/93/82/449819382.db2.gz VQAJQKNAHDBGEV-OTWHNJEPSA-N 1 3 349.544 1.601 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000608705772 449917105 /nfs/dbraw/zinc/91/71/05/449917105.db2.gz KJSQJQCQPLAVMO-PKOBYXMFSA-N 1 3 332.492 1.851 20 0 EDADHO CN1CCN(CC2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC000615275268 450039712 /nfs/dbraw/zinc/03/97/12/450039712.db2.gz XVZYKPIQBVMEFD-UHFFFAOYSA-N 1 3 330.476 1.068 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000623056275 450385174 /nfs/dbraw/zinc/38/51/74/450385174.db2.gz UQGIDSUEHCHPRM-HNNXBMFYSA-N 1 3 347.463 1.067 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)ccc1OCC(N)=O ZINC000623380491 450509769 /nfs/dbraw/zinc/50/97/69/450509769.db2.gz AZJIXDVWZZSHPC-CQSZACIVSA-N 1 3 335.448 1.522 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627257526 450585649 /nfs/dbraw/zinc/58/56/49/450585649.db2.gz ISVYEMPMKNVQRI-IRXDYDNUSA-N 1 3 325.497 1.556 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCCc3ncccc32)(N2CCOCC2)CC1 ZINC000631637134 450688661 /nfs/dbraw/zinc/68/86/61/450688661.db2.gz QKCCWFYSGLWMIU-IBGZPJMESA-N 1 3 344.503 1.845 20 0 EDADHO COc1cccc(N2CC[C@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629558348 450735358 /nfs/dbraw/zinc/73/53/58/450735358.db2.gz GDGHOVXDFLGMRD-SJLPKXTDSA-N 1 3 333.476 1.568 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2nc3c(s2)CNCC3)CC[C@H]1C(F)(F)F ZINC000629653996 450772547 /nfs/dbraw/zinc/77/25/47/450772547.db2.gz KZFAQMJCHOZQSU-VHSXEESVSA-N 1 3 334.411 1.748 20 0 EDADHO c1c([C@@H]2CCCN(CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649792 450770438 /nfs/dbraw/zinc/77/04/38/450770438.db2.gz GMHWPSMAWBXHMP-MRXNPFEDSA-N 1 3 331.464 1.345 20 0 EDADHO CCn1cc(CCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000621775212 450862645 /nfs/dbraw/zinc/86/26/45/450862645.db2.gz ITEOKNHRIUZNPH-DOTOQJQBSA-N 1 3 333.480 1.026 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626854400 450961954 /nfs/dbraw/zinc/96/19/54/450961954.db2.gz KMCDZQDGEMAIOZ-UHFFFAOYSA-N 1 3 332.448 1.071 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000635536625 451032878 /nfs/dbraw/zinc/03/28/78/451032878.db2.gz WPLQZHDZUHRENE-QGZVFWFLSA-N 1 3 341.496 1.058 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000635543610 451039708 /nfs/dbraw/zinc/03/97/08/451039708.db2.gz UGAGNYCNDCRRLQ-INIZCTEOSA-N 1 3 333.480 1.148 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CCn2cccn2)CC1 ZINC000635543610 451039709 /nfs/dbraw/zinc/03/97/09/451039709.db2.gz UGAGNYCNDCRRLQ-INIZCTEOSA-N 1 3 333.480 1.148 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000627012414 451077079 /nfs/dbraw/zinc/07/70/79/451077079.db2.gz AFPMQOXNMNGKGZ-NVXWUHKLSA-N 1 3 334.464 1.042 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncc2c(F)cccn21 ZINC000628051146 451105205 /nfs/dbraw/zinc/10/52/05/451105205.db2.gz XICYUMIBVAAFQP-ZDUSSCGKSA-N 1 3 335.427 1.475 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncc2c(F)cccn21 ZINC000628051146 451105207 /nfs/dbraw/zinc/10/52/07/451105207.db2.gz XICYUMIBVAAFQP-ZDUSSCGKSA-N 1 3 335.427 1.475 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628051016 451105611 /nfs/dbraw/zinc/10/56/11/451105611.db2.gz SNYLSNDSZVKXHT-LSDHHAIUSA-N 1 3 327.513 1.968 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000628051016 451105615 /nfs/dbraw/zinc/10/56/15/451105615.db2.gz SNYLSNDSZVKXHT-LSDHHAIUSA-N 1 3 327.513 1.968 20 0 EDADHO CN(C)CCCS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000632234852 451135229 /nfs/dbraw/zinc/13/52/29/451135229.db2.gz FUHDMJCTBSGKAO-UHFFFAOYSA-N 1 3 333.542 1.902 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635657913 451143312 /nfs/dbraw/zinc/14/33/12/451143312.db2.gz GKQPDBAVBBKLMC-MSOLQXFVSA-N 1 3 337.508 1.724 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627202822 451184662 /nfs/dbraw/zinc/18/46/62/451184662.db2.gz KFPADHSLTQITDU-UONOGXRCSA-N 1 3 333.436 1.062 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000627238278 451203362 /nfs/dbraw/zinc/20/33/62/451203362.db2.gz QWYIPSTVXPUNJE-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750434 451218448 /nfs/dbraw/zinc/21/84/48/451218448.db2.gz RYAYZWYOPJUXNO-SJORKVTESA-N 1 3 338.540 1.449 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084030 451248244 /nfs/dbraw/zinc/24/82/44/451248244.db2.gz MIHVZIAACRZHFV-RTBURBONSA-N 1 3 344.503 1.533 20 0 EDADHO CN(C(=O)CCC1C[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000638089105 451253963 /nfs/dbraw/zinc/25/39/63/451253963.db2.gz SDQIYAXNDGZWJV-UHFFFAOYSA-N 1 3 330.476 1.547 20 0 EDADHO CC(C)CC[C@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000638091756 451256886 /nfs/dbraw/zinc/25/68/86/451256886.db2.gz YESRSDLBORHTAZ-AWEZNQCLSA-N 1 3 348.447 1.858 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000638117842 451286850 /nfs/dbraw/zinc/28/68/50/451286850.db2.gz PDOUGQOZNDPZDN-ZWKOTPCHSA-N 1 3 348.535 1.928 20 0 EDADHO COC[C@]1(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCCCN1 ZINC000638119918 451288965 /nfs/dbraw/zinc/28/89/65/451288965.db2.gz BNGGJVJIBRPIMG-FQEVSTJZSA-N 1 3 345.487 1.361 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120737 451289606 /nfs/dbraw/zinc/28/96/06/451289606.db2.gz CCQRQUXESXHWAN-MOPGFXCFSA-N 1 3 344.503 1.390 20 0 EDADHO O=C(CCC1C[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC000638128338 451298704 /nfs/dbraw/zinc/29/87/04/451298704.db2.gz KOYURMKBVDHTPB-UHFFFAOYSA-N 1 3 331.460 1.259 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638135369 451308851 /nfs/dbraw/zinc/30/88/51/451308851.db2.gz TXUQSNHHYZPZRP-FGTMMUONSA-N 1 3 331.460 1.473 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638135369 451308855 /nfs/dbraw/zinc/30/88/55/451308855.db2.gz TXUQSNHHYZPZRP-FGTMMUONSA-N 1 3 331.460 1.473 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(c2ccncc2)CC1 ZINC000638137276 451310233 /nfs/dbraw/zinc/31/02/33/451310233.db2.gz SRZDORNBDQBHCP-UHFFFAOYSA-N 1 3 336.439 1.619 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000638138068 451312230 /nfs/dbraw/zinc/31/22/30/451312230.db2.gz UUEBHFXVZAYSQD-KRWDZBQOSA-N 1 3 332.492 1.309 20 0 EDADHO CC(C)CC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638139587 451314939 /nfs/dbraw/zinc/31/49/39/451314939.db2.gz MSKLFAKVOFZOFT-KRWDZBQOSA-N 1 3 338.540 1.816 20 0 EDADHO CN(CCCC[NH+](C)C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000640443073 451319251 /nfs/dbraw/zinc/31/92/51/451319251.db2.gz JKGUDELUEOYQDT-UHFFFAOYSA-N 1 3 336.484 1.955 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000638155550 451325735 /nfs/dbraw/zinc/32/57/35/451325735.db2.gz LGRYUVMAKBTQCL-GOSISDBHSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@@H](C)CN1 ZINC000638158820 451327918 /nfs/dbraw/zinc/32/79/18/451327918.db2.gz MAHAWCAJUTZNGT-OLZOCXBDSA-N 1 3 345.447 1.126 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269511 451389569 /nfs/dbraw/zinc/38/95/69/451389569.db2.gz PUVWHQXHFANQGI-GXTWGEPZSA-N 1 3 345.447 1.161 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253117 451383211 /nfs/dbraw/zinc/38/32/11/451383211.db2.gz YUQHMTMSRGWVGI-HOTGVXAUSA-N 1 3 333.480 1.297 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCCN1 ZINC000638309784 451423303 /nfs/dbraw/zinc/42/33/03/451423303.db2.gz NNGUWJXVZJODFQ-AYBZRNKSSA-N 1 3 335.492 1.620 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCCN1 ZINC000638309784 451423309 /nfs/dbraw/zinc/42/33/09/451423309.db2.gz NNGUWJXVZJODFQ-AYBZRNKSSA-N 1 3 335.492 1.620 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCC3CC[NH+](C)CC3)cn2)CC1 ZINC000636732437 451454238 /nfs/dbraw/zinc/45/42/38/451454238.db2.gz IXKCYNBCCWZUAS-UHFFFAOYSA-N 1 3 334.468 1.613 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H](OC)C2CCOCC2)CC1 ZINC000638359343 451458908 /nfs/dbraw/zinc/45/89/08/451458908.db2.gz KETXKWMYYWWOTI-SFHVURJKSA-N 1 3 327.513 1.435 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@]3(OC)CCOC3)cc2)CC1 ZINC000638373825 451470542 /nfs/dbraw/zinc/47/05/42/451470542.db2.gz JXSKWUFPIWPYPR-FQEVSTJZSA-N 1 3 347.503 1.719 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccnc(CN(C)C)c1 ZINC000640625676 451473737 /nfs/dbraw/zinc/47/37/37/451473737.db2.gz IXVYOZAOILSIET-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccnc(CN(C)C)c1 ZINC000640625676 451473742 /nfs/dbraw/zinc/47/37/42/451473742.db2.gz IXVYOZAOILSIET-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO CN(C)Cc1cc(NC(=O)NCCCN(C)CC[NH+](C)C)ccn1 ZINC000640625676 451473746 /nfs/dbraw/zinc/47/37/46/451473746.db2.gz IXVYOZAOILSIET-UHFFFAOYSA-N 1 3 336.484 1.148 20 0 EDADHO O[C@]1(C[NH2+][C@H]2CCN(CC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000634704983 451481022 /nfs/dbraw/zinc/48/10/22/451481022.db2.gz SQAJAOJNBQLPDW-PMACEKPBSA-N 1 3 329.488 1.697 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C3(c4ccccn4)CC3)CC2)CC1 ZINC000630862076 451445570 /nfs/dbraw/zinc/44/55/70/451445570.db2.gz CAFGHPKMAISHOI-UHFFFAOYSA-N 1 3 342.487 1.788 20 0 EDADHO CC(C)COC[C@H](O)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719357 451499544 /nfs/dbraw/zinc/49/95/44/451499544.db2.gz SLKAULOCRIFDNP-MOPGFXCFSA-N 1 3 336.476 1.247 20 0 EDADHO CC(C)COC[C@H](O)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719357 451499548 /nfs/dbraw/zinc/49/95/48/451499548.db2.gz SLKAULOCRIFDNP-MOPGFXCFSA-N 1 3 336.476 1.247 20 0 EDADHO CN1CCC(N2CCC([NH2+]CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000638460510 451527415 /nfs/dbraw/zinc/52/74/15/451527415.db2.gz YHGXEHRLNQOZOV-UHFFFAOYSA-N 1 3 338.540 1.245 20 0 EDADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638514281 451553715 /nfs/dbraw/zinc/55/37/15/451553715.db2.gz SEZLISBGQNOPBT-UHFFFAOYSA-N 1 3 343.475 1.434 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000631192997 451635177 /nfs/dbraw/zinc/63/51/77/451635177.db2.gz SNFFQTQRYCKSHS-ZWKOTPCHSA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000631192997 451635183 /nfs/dbraw/zinc/63/51/83/451635183.db2.gz SNFFQTQRYCKSHS-ZWKOTPCHSA-N 1 3 336.524 1.203 20 0 EDADHO CN(CCOCC[NH3+])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000638676652 451646950 /nfs/dbraw/zinc/64/69/50/451646950.db2.gz ZOECYDAYVCZOSE-INIZCTEOSA-N 1 3 337.439 1.471 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000638746561 451673522 /nfs/dbraw/zinc/67/35/22/451673522.db2.gz HTXSWWJIDJYROG-QGZVFWFLSA-N 1 3 337.508 1.602 20 0 EDADHO N[C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782781 451690427 /nfs/dbraw/zinc/69/04/27/451690427.db2.gz BMDOWCXINCIEMQ-ZWKOTPCHSA-N 1 3 331.460 1.694 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000637078981 451712804 /nfs/dbraw/zinc/71/28/04/451712804.db2.gz QHGVUQWSRJYYAG-GOSISDBHSA-N 1 3 348.491 1.447 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)N2CCCCCC2)CC1 ZINC000638859780 451712953 /nfs/dbraw/zinc/71/29/53/451712953.db2.gz NJQPUHCFNJSVCR-UHFFFAOYSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H](NC(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000632960347 451669217 /nfs/dbraw/zinc/66/92/17/451669217.db2.gz GFUVCFYYZCLQJC-ZIAGYGMSSA-N 1 3 334.468 1.659 20 0 EDADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638987479 451747755 /nfs/dbraw/zinc/74/77/55/451747755.db2.gz RBGZJOYUZKYJAE-JKSUJKDBSA-N 1 3 331.464 1.727 20 0 EDADHO O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000641092590 451747814 /nfs/dbraw/zinc/74/78/14/451747814.db2.gz YRBJVHWMYFTUKI-HKUYNNGSSA-N 1 3 346.475 1.065 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000637264177 451773850 /nfs/dbraw/zinc/77/38/50/451773850.db2.gz KXMDDZKCJDJGIV-GRDNDAEWSA-N 1 3 326.485 1.125 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000637264177 451773853 /nfs/dbraw/zinc/77/38/53/451773853.db2.gz KXMDDZKCJDJGIV-GRDNDAEWSA-N 1 3 326.485 1.125 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccccc2OCCCCO)CC1(C)C ZINC000639134959 451774246 /nfs/dbraw/zinc/77/42/46/451774246.db2.gz ASRSATXCERGGKK-UHFFFAOYSA-N 1 3 349.519 1.954 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000644561568 451861867 /nfs/dbraw/zinc/86/18/67/451861867.db2.gz AXIPPKZJEXYZNF-MJGOQNOKSA-N 1 3 347.503 1.493 20 0 EDADHO CC1(C)C[NH2+]CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000649273846 451946151 /nfs/dbraw/zinc/94/61/51/451946151.db2.gz QAXCCVGFVVAVIF-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327000 452006178 /nfs/dbraw/zinc/00/61/78/452006178.db2.gz NIUSDAJFGLERTC-HOTGVXAUSA-N 1 3 331.464 1.047 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649332911 452014980 /nfs/dbraw/zinc/01/49/80/452014980.db2.gz VFJDLJBVLGUEAF-PIIMJCKOSA-N 1 3 329.444 1.243 20 0 EDADHO NCc1ccc(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)o1 ZINC000647090601 452055357 /nfs/dbraw/zinc/05/53/57/452055357.db2.gz AOSMRDDGLXHGBR-UHFFFAOYSA-N 1 3 342.443 1.462 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417924 452080585 /nfs/dbraw/zinc/08/05/85/452080585.db2.gz OKPKSSZBEHSIJB-OKZBNKHCSA-N 1 3 336.524 1.251 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806486 452092092 /nfs/dbraw/zinc/09/20/92/452092092.db2.gz LFWLPCYFUYDBNQ-SFHVURJKSA-N 1 3 330.476 1.189 20 0 EDADHO C[NH+](C)CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644994568 452103056 /nfs/dbraw/zinc/10/30/56/452103056.db2.gz JZKOJYSOKRZIQD-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841730 452112262 /nfs/dbraw/zinc/11/22/62/452112262.db2.gz MDAUZTNYADSCIB-IBGZPJMESA-N 1 3 338.455 1.730 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000647493093 452236611 /nfs/dbraw/zinc/23/66/11/452236611.db2.gz UGTMIRMMXXFLFF-UHFFFAOYSA-N 1 3 331.382 1.965 20 0 EDADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788913 452266137 /nfs/dbraw/zinc/26/61/37/452266137.db2.gz WEZKADDFADNESR-FHWLQOOXSA-N 1 3 338.540 1.103 20 0 EDADHO COc1cccc(-c2n[nH]cc2CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000647541262 452273633 /nfs/dbraw/zinc/27/36/33/452273633.db2.gz VBYORYXQUJQHDO-KRWDZBQOSA-N 1 3 341.459 1.565 20 0 EDADHO N[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[C@H]1F ZINC000659429921 452273766 /nfs/dbraw/zinc/27/37/66/452273766.db2.gz ZIVVJHFLONTBAG-IAGOWNOFSA-N 1 3 334.439 1.863 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C)[C@H]2CCO)CC1 ZINC000661495491 452298379 /nfs/dbraw/zinc/29/83/79/452298379.db2.gz VRKZINRDNMWPAU-DOTOQJQBSA-N 1 3 325.497 1.458 20 0 EDADHO CN(C)[C@H](CNC(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652119741 452314496 /nfs/dbraw/zinc/31/44/96/452314496.db2.gz XGPIWZFXWWFFIF-SFHVURJKSA-N 1 3 332.492 1.848 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000659477787 452336670 /nfs/dbraw/zinc/33/66/70/452336670.db2.gz MVOLIWOPBDRIQN-QGZVFWFLSA-N 1 3 333.480 1.971 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000665763584 452342558 /nfs/dbraw/zinc/34/25/58/452342558.db2.gz GHLAXGZTULUOQY-MAUKXSAKSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000665763584 452342568 /nfs/dbraw/zinc/34/25/68/452342568.db2.gz GHLAXGZTULUOQY-MAUKXSAKSA-N 1 3 340.512 1.205 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000647624604 452361112 /nfs/dbraw/zinc/36/11/12/452361112.db2.gz HKQHKLHPGYDZAY-HKUYNNGSSA-N 1 3 337.508 1.699 20 0 EDADHO CC(C)(CNC(=O)[C@@]1(C[NH3+])CCCOC1)N1CCc2ccccc2C1 ZINC000638070487 452376354 /nfs/dbraw/zinc/37/63/54/452376354.db2.gz YNJRPXMCELMVLU-HXUWFJFHSA-N 1 3 345.487 1.695 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)N2CCN(c3ccncc3)CC2)c(F)c1 ZINC000652281521 452466834 /nfs/dbraw/zinc/46/68/34/452466834.db2.gz BIDSUKJUKSBESQ-UHFFFAOYSA-N 1 3 343.406 1.711 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507166 452473553 /nfs/dbraw/zinc/47/35/53/452473553.db2.gz CADPQSORTZDXPT-QGZVFWFLSA-N 1 3 330.476 1.048 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617286 452474963 /nfs/dbraw/zinc/47/49/63/452474963.db2.gz SOMDIOWISSOKBP-UHFFFAOYSA-N 1 3 334.439 1.651 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000659635129 452497430 /nfs/dbraw/zinc/49/74/30/452497430.db2.gz AVPFFEVZTLHQFZ-KRWDZBQOSA-N 1 3 332.492 1.944 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654460850 452527428 /nfs/dbraw/zinc/52/74/28/452527428.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654460850 452527432 /nfs/dbraw/zinc/52/74/32/452527432.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@H]2CCOC2)cn1 ZINC000647797830 452528554 /nfs/dbraw/zinc/52/85/54/452528554.db2.gz DBPXWKMBQDBYJX-BURFUSLBSA-N 1 3 331.460 1.975 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1ccccc1C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723273 452530630 /nfs/dbraw/zinc/53/06/30/452530630.db2.gz XPTNBKQQYUVSEE-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@]12C[C@H]1CN(Cc1ccccc1C[N@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723273 452530633 /nfs/dbraw/zinc/53/06/33/452530633.db2.gz XPTNBKQQYUVSEE-VNTMZGSJSA-N 1 3 328.456 1.600 20 0 EDADHO Cc1cccc2nc(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804558 452536973 /nfs/dbraw/zinc/53/69/73/452536973.db2.gz URBNTTXEDPWSBH-RCCFBDPRSA-N 1 3 328.460 1.932 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730890 452543347 /nfs/dbraw/zinc/54/33/47/452543347.db2.gz VOMVVWKSRAXIEJ-SCTDSRPQSA-N 1 3 339.524 1.719 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+]CCCCN1CCN(C)CC1 ZINC000657835757 452558895 /nfs/dbraw/zinc/55/88/95/452558895.db2.gz OFPHJHIORZGMSC-SFHVURJKSA-N 1 3 327.513 1.435 20 0 EDADHO CCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000647874782 452614391 /nfs/dbraw/zinc/61/43/91/452614391.db2.gz YDBWQJXNQIFNSH-ROUUACIJSA-N 1 3 333.476 1.156 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000655909574 452666282 /nfs/dbraw/zinc/66/62/82/452666282.db2.gz BEFJWKJLVIRANT-CQSZACIVSA-N 1 3 344.381 1.840 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000655912842 452670704 /nfs/dbraw/zinc/67/07/04/452670704.db2.gz RBSWNTDCUUXYPT-STQMWFEESA-N 1 3 332.370 1.348 20 0 EDADHO Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000666282832 452741918 /nfs/dbraw/zinc/74/19/18/452741918.db2.gz MIHJVSVFPFDSIJ-CQSZACIVSA-N 1 3 336.484 1.920 20 0 EDADHO CN1CCC(C[NH2+]Cc2[nH]nc3ccccc32)(N2CCOCC2)CC1 ZINC000666407277 452846683 /nfs/dbraw/zinc/84/66/83/452846683.db2.gz XKGFJSXASFYRPW-UHFFFAOYSA-N 1 3 343.475 1.449 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652702412 452853565 /nfs/dbraw/zinc/85/35/65/452853565.db2.gz WOCUKOVZZALDGV-OAHLLOKOSA-N 1 3 346.475 1.267 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000650720957 452949683 /nfs/dbraw/zinc/94/96/83/452949683.db2.gz JPLYXKFWYWNWRE-DOTOQJQBSA-N 1 3 330.476 1.590 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCc2ccc(F)cc21 ZINC000650724742 452952510 /nfs/dbraw/zinc/95/25/10/452952510.db2.gz LOTUKYXHXYAANA-CABCVRRESA-N 1 3 333.451 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CCc2ccc(F)cc21 ZINC000650724742 452952515 /nfs/dbraw/zinc/95/25/15/452952515.db2.gz LOTUKYXHXYAANA-CABCVRRESA-N 1 3 333.451 1.985 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000656197424 452955190 /nfs/dbraw/zinc/95/51/90/452955190.db2.gz INQRJRRNTHTZQD-RBSFLKMASA-N 1 3 333.432 1.171 20 0 EDADHO O=C(NC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccccc1 ZINC000662248567 452971767 /nfs/dbraw/zinc/97/17/67/452971767.db2.gz GCUTYSRXOIBVMY-QGZVFWFLSA-N 1 3 329.444 1.402 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640984 453030507 /nfs/dbraw/zinc/03/05/07/453030507.db2.gz UHMMSYFQSQOEMZ-WBVHZDCISA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640984 453030514 /nfs/dbraw/zinc/03/05/14/453030514.db2.gz UHMMSYFQSQOEMZ-WBVHZDCISA-N 1 3 333.501 1.974 20 0 EDADHO Cn1cncc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326756 453046181 /nfs/dbraw/zinc/04/61/81/453046181.db2.gz BGKLDGQPFGPOJD-UHFFFAOYSA-N 1 3 328.464 1.990 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCOCC1 ZINC000664443068 453099368 /nfs/dbraw/zinc/09/93/68/453099368.db2.gz BCCGVVMFUYPZDX-LSDHHAIUSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCOCC1 ZINC000664443068 453099381 /nfs/dbraw/zinc/09/93/81/453099381.db2.gz BCCGVVMFUYPZDX-LSDHHAIUSA-N 1 3 328.501 1.373 20 0 EDADHO N[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414028 453123237 /nfs/dbraw/zinc/12/32/37/453123237.db2.gz TYDYAHXTJMZNLX-CABCVRRESA-N 1 3 328.420 1.023 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139636 453148889 /nfs/dbraw/zinc/14/88/89/453148889.db2.gz JCOQXBIARLBOKH-ZOBUZTSGSA-N 1 3 343.537 1.100 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)c1cc2c(s1)CCNC2 ZINC000662495462 453211365 /nfs/dbraw/zinc/21/13/65/453211365.db2.gz SWMTUWGBWXUDFA-UHFFFAOYSA-N 1 3 339.505 1.824 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(C)(C)O)CC2)CC1 ZINC000655125559 453241763 /nfs/dbraw/zinc/24/17/63/453241763.db2.gz ODAILUBGJMWSLD-OAHLLOKOSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCOC1 ZINC000664617456 453251812 /nfs/dbraw/zinc/25/18/12/453251812.db2.gz LWSVLFASTGVTRW-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCOC1 ZINC000664617456 453251819 /nfs/dbraw/zinc/25/18/19/453251819.db2.gz LWSVLFASTGVTRW-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000664617453 453252368 /nfs/dbraw/zinc/25/23/68/453252368.db2.gz LWSVLFASTGVTRW-HRCADAONSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@@H]1CCCOC1 ZINC000664617453 453252377 /nfs/dbraw/zinc/25/23/77/453252377.db2.gz LWSVLFASTGVTRW-HRCADAONSA-N 1 3 328.501 1.373 20 0 EDADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000664761649 453385319 /nfs/dbraw/zinc/38/53/19/453385319.db2.gz FBUHASSTNGGHBZ-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO COc1ccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000664761649 453385331 /nfs/dbraw/zinc/38/53/31/453385331.db2.gz FBUHASSTNGGHBZ-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)C2(NC3CC3)CCC2)c1 ZINC000662675321 453392372 /nfs/dbraw/zinc/39/23/72/453392372.db2.gz LEOCEVVIVKPEGF-UHFFFAOYSA-N 1 3 331.460 1.918 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662694866 453416760 /nfs/dbraw/zinc/41/67/60/453416760.db2.gz UTTAFGPCQJZENR-CQSZACIVSA-N 1 3 334.468 1.053 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000662697603 453418893 /nfs/dbraw/zinc/41/88/93/453418893.db2.gz GMRDTAARNRRPGW-HOTGVXAUSA-N 1 3 337.489 1.440 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)C3(N)CC4(CCC4)C3)CC2)CC1 ZINC000662700581 453422436 /nfs/dbraw/zinc/42/24/36/453422436.db2.gz VWVQBBSZXBDSBV-UHFFFAOYSA-N 1 3 334.508 1.323 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC(C)CC1 ZINC000662702003 453424364 /nfs/dbraw/zinc/42/43/64/453424364.db2.gz WBFVYUBNMXQSIG-CVEARBPZSA-N 1 3 348.495 1.443 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000667138253 453429940 /nfs/dbraw/zinc/42/99/40/453429940.db2.gz YFLJUIGHHWZKNE-MRXNPFEDSA-N 1 3 348.495 1.687 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662717924 453441518 /nfs/dbraw/zinc/44/15/18/453441518.db2.gz DVABZGUNBBZGMD-DDBAPUKQSA-N 1 3 331.460 1.520 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CNC3)C1 ZINC000653260013 453441757 /nfs/dbraw/zinc/44/17/57/453441757.db2.gz BHFVMAMTWRQBQU-FGTMMUONSA-N 1 3 329.444 1.791 20 0 EDADHO NC1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC2(CCC2)C1 ZINC000662733683 453459107 /nfs/dbraw/zinc/45/91/07/453459107.db2.gz VHRDSVVBOGPYGQ-UHFFFAOYSA-N 1 3 335.492 1.799 20 0 EDADHO C[C@H](CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)n1ccnc1 ZINC000651315897 453462005 /nfs/dbraw/zinc/46/20/05/453462005.db2.gz FEJDENFSRCQMTE-NVXWUHKLSA-N 1 3 333.480 1.461 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662747824 453478549 /nfs/dbraw/zinc/47/85/49/453478549.db2.gz DQRRBIMGXSJFBB-UHFFFAOYSA-N 1 3 336.505 1.150 20 0 EDADHO O=C(N1CCN(c2ccncc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662754456 453489363 /nfs/dbraw/zinc/48/93/63/453489363.db2.gz OEPUWPTYIUKMJS-AWEZNQCLSA-N 1 3 328.338 1.272 20 0 EDADHO CN(C)[C@@H](CNC(=O)C[NH2+]C1(CCO)CCCC1)c1ccccc1 ZINC000660682309 453509904 /nfs/dbraw/zinc/50/99/04/453509904.db2.gz KYWNGCNNZWWJIS-KRWDZBQOSA-N 1 3 333.476 1.690 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836744 453562003 /nfs/dbraw/zinc/56/20/03/453562003.db2.gz DBPIFIYQSZGYEJ-HZPDHXFCSA-N 1 3 331.464 1.095 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861123 453576048 /nfs/dbraw/zinc/57/60/48/453576048.db2.gz XOIFJJFNDDXRTI-QGTPRVQTSA-N 1 3 333.476 1.489 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871081 453625333 /nfs/dbraw/zinc/62/53/33/453625333.db2.gz XGQRSRTXLQISRR-FRFSOERESA-N 1 3 336.480 1.164 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871081 453625336 /nfs/dbraw/zinc/62/53/36/453625336.db2.gz XGQRSRTXLQISRR-FRFSOERESA-N 1 3 336.480 1.164 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC3CC2(CN)C3)cc1 ZINC000659099688 453632046 /nfs/dbraw/zinc/63/20/46/453632046.db2.gz CAGXKCFUCVWRRE-UHFFFAOYSA-N 1 3 344.459 1.417 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000665637918 453778012 /nfs/dbraw/zinc/77/80/12/453778012.db2.gz SRMLAMXFLUUFFP-WBAXXEDZSA-N 1 3 348.491 1.216 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000665637918 453778014 /nfs/dbraw/zinc/77/80/14/453778014.db2.gz SRMLAMXFLUUFFP-WBAXXEDZSA-N 1 3 348.491 1.216 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(OC)cc(C)n2)CC1 ZINC000663504091 453811987 /nfs/dbraw/zinc/81/19/87/453811987.db2.gz SBNILBJSHFPSFS-UHFFFAOYSA-N 1 3 334.464 1.479 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cn1 ZINC000683553327 486754674 /nfs/dbraw/zinc/75/46/74/486754674.db2.gz GXENRYHWSAJKLN-UHFFFAOYSA-N 1 3 334.468 1.441 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000680521112 486799494 /nfs/dbraw/zinc/79/94/94/486799494.db2.gz YEBJSYCWBWOQBS-UHFFFAOYSA-N 1 3 349.479 1.272 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417948714 486816657 /nfs/dbraw/zinc/81/66/57/486816657.db2.gz JEHAKXBMEFJWFJ-HUUCEWRRSA-N 1 3 335.452 1.091 20 0 EDADHO COCCCOCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667642158 486894771 /nfs/dbraw/zinc/89/47/71/486894771.db2.gz QFOCTBAZXGZFSJ-UHFFFAOYSA-N 1 3 341.496 1.104 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nnn(C(C)(C)C)n1 ZINC000668160249 487125052 /nfs/dbraw/zinc/12/50/52/487125052.db2.gz XAZATBOICNDCDT-HNNXBMFYSA-N 1 3 337.516 1.276 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nnn(C(C)(C)C)n1 ZINC000668160249 487125055 /nfs/dbraw/zinc/12/50/55/487125055.db2.gz XAZATBOICNDCDT-HNNXBMFYSA-N 1 3 337.516 1.276 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2CCCN(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318936 487235799 /nfs/dbraw/zinc/23/57/99/487235799.db2.gz KINUKEVVPPMHFJ-CQSZACIVSA-N 1 3 334.468 1.674 20 0 EDADHO C[NH+](C)CCOC1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000678261874 487277742 /nfs/dbraw/zinc/27/77/42/487277742.db2.gz ZZIOPKIYPWEZIM-UHFFFAOYSA-N 1 3 329.448 1.810 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000675192709 487387028 /nfs/dbraw/zinc/38/70/28/487387028.db2.gz LZBQIQNHSFUHKP-HOCLYGCPSA-N 1 3 328.526 1.597 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(O)cc1 ZINC000679398056 487421743 /nfs/dbraw/zinc/42/17/43/487421743.db2.gz FPMSWLVIDLOVPZ-IBGZPJMESA-N 1 3 341.455 1.771 20 0 EDADHO CC[C@@]1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOC1 ZINC000682860926 487423284 /nfs/dbraw/zinc/42/32/84/487423284.db2.gz NBLCLXJNGQVYRF-GOSISDBHSA-N 1 3 338.496 1.413 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000669530283 485504889 /nfs/dbraw/zinc/50/48/89/485504889.db2.gz ZDSDOFIIMLAWGT-ZACQAIPSSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145286 485733941 /nfs/dbraw/zinc/73/39/41/485733941.db2.gz JPLBPSFSUOFWFJ-KGLIPLIRSA-N 1 3 340.512 1.068 20 0 EDADHO COc1ccc([C@H](CNC(=O)NCC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000668592553 485928880 /nfs/dbraw/zinc/92/88/80/485928880.db2.gz AMFFCYGUTMBUFI-SFHVURJKSA-N 1 3 346.475 1.883 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCO1 ZINC000669389546 486025654 /nfs/dbraw/zinc/02/56/54/486025654.db2.gz RXGRDJFRTKRECS-RYQLBKOJSA-N 1 3 346.475 1.409 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000669426288 486147468 /nfs/dbraw/zinc/14/74/68/486147468.db2.gz BVODVJVPGLIILS-SJORKVTESA-N 1 3 346.475 1.378 20 0 EDADHO CC[C@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000669426363 486148509 /nfs/dbraw/zinc/14/85/09/486148509.db2.gz ZRKWNDLPLWHKIE-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@@H]1CCCN1C1CCOCC1)C(C)C ZINC000153450068 528905926 /nfs/dbraw/zinc/90/59/26/528905926.db2.gz GFSXGWUEDLZCHW-KRWDZBQOSA-N 1 3 325.497 1.865 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000236947042 535705229 /nfs/dbraw/zinc/70/52/29/535705229.db2.gz PJJVJMZWXYCUCZ-LPHOPBHVSA-N 1 3 344.503 1.091 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000340459875 535778093 /nfs/dbraw/zinc/77/80/93/535778093.db2.gz GCOAPOKZQUHLCN-KRWDZBQOSA-N 1 3 343.479 1.254 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000346616339 535930261 /nfs/dbraw/zinc/93/02/61/535930261.db2.gz FLSMXUDFSYRRLU-UHFFFAOYSA-N 1 3 327.432 1.841 20 0 EDADHO CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000347281638 535945155 /nfs/dbraw/zinc/94/51/55/535945155.db2.gz YLCAKNOIUPENPJ-GBESFXJTSA-N 1 3 347.503 1.680 20 0 EDADHO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261550825 536003166 /nfs/dbraw/zinc/00/31/66/536003166.db2.gz PSUASASBGXYJNB-IAGOWNOFSA-N 1 3 333.501 1.814 20 0 EDADHO COCC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000262293581 536814589 /nfs/dbraw/zinc/81/45/89/536814589.db2.gz WJGDZXVPCRCWAL-SFHVURJKSA-N 1 3 345.487 1.956 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC000261655746 536814987 /nfs/dbraw/zinc/81/49/87/536814987.db2.gz KCNOHYLMOAXKEM-IEBWSBKVSA-N 1 3 331.460 1.566 20 0 EDADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1O[C@H](C)C2 ZINC000728611554 578549484 /nfs/dbraw/zinc/54/94/84/578549484.db2.gz NZMMXYYELROALE-CQSZACIVSA-N 1 3 349.475 1.584 20 0 EDADHO C[C@H](COc1ccccc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741079655 578645093 /nfs/dbraw/zinc/64/50/93/578645093.db2.gz MUWCCJGBWAPHQN-MRXNPFEDSA-N 1 3 336.480 1.589 20 0 EDADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CCCCC1 ZINC000733848337 578785790 /nfs/dbraw/zinc/78/57/90/578785790.db2.gz NBLWIHOBAXZQBP-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCN1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775371790 580389439 /nfs/dbraw/zinc/38/94/39/580389439.db2.gz SWJRVXZMXUYSLD-OAGGEKHMSA-N 1 3 329.579 1.982 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786801485 580679612 /nfs/dbraw/zinc/67/96/12/580679612.db2.gz RJCSPYNVEAOEEA-RHSMWYFYSA-N 1 3 332.448 1.324 20 0 EDADHO C[NH+](C)CCCOC(=O)C1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000791870375 580804143 /nfs/dbraw/zinc/80/41/43/580804143.db2.gz LUGRHXQXHGKFII-AWEZNQCLSA-N 1 3 348.399 1.306 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)[C@@H]2C1 ZINC000893191989 590703818 /nfs/dbraw/zinc/70/38/18/590703818.db2.gz ROEGGJZMSWUXQH-QZTJIDSGSA-N 1 3 342.487 1.431 20 0 EDADHO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000893239748 590728249 /nfs/dbraw/zinc/72/82/49/590728249.db2.gz VOYUSYMVNLQRAC-LNRIEFBSSA-N 1 3 326.444 2.000 20 0 EDADHO CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000892184434 590852703 /nfs/dbraw/zinc/85/27/03/590852703.db2.gz RVWOUPPMYGPUBW-INIZCTEOSA-N 1 3 338.496 1.415 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211135 590865931 /nfs/dbraw/zinc/86/59/31/590865931.db2.gz IBSLCLYUMDFKCK-FUHWJXTLSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211135 590865933 /nfs/dbraw/zinc/86/59/33/590865933.db2.gz IBSLCLYUMDFKCK-FUHWJXTLSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000892301960 590926874 /nfs/dbraw/zinc/92/68/74/590926874.db2.gz KXWUFZXYTVPICU-GDAAHCPNSA-N 1 3 342.487 1.900 20 0 EDADHO O=C(NCCNc1ccncc1)NCc1cccc2c1CC[NH2+]C2 ZINC000892346416 590975554 /nfs/dbraw/zinc/97/55/54/590975554.db2.gz QSGVVCMXNSEIQW-UHFFFAOYSA-N 1 3 325.416 1.061 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892399963 591011849 /nfs/dbraw/zinc/01/18/49/591011849.db2.gz MDPUTFROMYFUOH-ROUUACIJSA-N 1 3 332.492 1.930 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000891340341 591050238 /nfs/dbraw/zinc/05/02/38/591050238.db2.gz QEKLSBCMQOUTNS-RDJZCZTQSA-N 1 3 330.476 1.825 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000891340339 591050617 /nfs/dbraw/zinc/05/06/17/591050617.db2.gz QEKLSBCMQOUTNS-DOTOQJQBSA-N 1 3 330.476 1.825 20 0 EDADHO CC[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000891349118 591054633 /nfs/dbraw/zinc/05/46/33/591054633.db2.gz VNWDGUMFRXNFPD-CEXWTWQISA-N 1 3 342.487 1.969 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000891461405 591079221 /nfs/dbraw/zinc/07/92/21/591079221.db2.gz MAYLYCGMKRTWHD-KKUMJFAQSA-N 1 3 336.505 1.997 20 0 EDADHO CC(C)([NH3+])CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000891464006 591080633 /nfs/dbraw/zinc/08/06/33/591080633.db2.gz ILYMWNDDXJVRPZ-UHFFFAOYSA-N 1 3 348.495 1.020 20 0 EDADHO C[C@@H](NCc1ccccc1OCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000892735761 591153960 /nfs/dbraw/zinc/15/39/60/591153960.db2.gz PDPWOQNUPCWRQC-ZBFHGGJFSA-N 1 3 340.489 1.540 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000891623147 591154743 /nfs/dbraw/zinc/15/47/43/591154743.db2.gz MFVCEHYCNQCEIN-SJORKVTESA-N 1 3 338.496 1.103 20 0 EDADHO CN1C[C@@H]2CCN(C(=O)NCCC[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000891626678 591156329 /nfs/dbraw/zinc/15/63/29/591156329.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN1C[C@@H]2CCN(C(=O)NCCC[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC000891626678 591156330 /nfs/dbraw/zinc/15/63/30/591156330.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccn1 ZINC000891727077 591200753 /nfs/dbraw/zinc/20/07/53/591200753.db2.gz NVVSZICNXDUVNG-HZPDHXFCSA-N 1 3 347.463 1.058 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000895846340 591286706 /nfs/dbraw/zinc/28/67/06/591286706.db2.gz VZHGBLFOFYDOBT-UKRRQHHQSA-N 1 3 330.314 1.872 20 0 EDADHO C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000894750942 591407348 /nfs/dbraw/zinc/40/73/48/591407348.db2.gz NTCAQVVEFHZZLI-NRSFXHEJSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000894750942 591407350 /nfs/dbraw/zinc/40/73/50/591407350.db2.gz NTCAQVVEFHZZLI-NRSFXHEJSA-N 1 3 330.476 1.881 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NCCN2CCC(C)(C)C2)CCO1 ZINC000898588316 591418168 /nfs/dbraw/zinc/41/81/68/591418168.db2.gz FPLSKCYQVWMSDS-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897439796 591452677 /nfs/dbraw/zinc/45/26/77/591452677.db2.gz GSPPZUANFIXYAL-LMMKCTJWSA-N 1 3 333.476 1.498 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897439796 591452678 /nfs/dbraw/zinc/45/26/78/591452678.db2.gz GSPPZUANFIXYAL-LMMKCTJWSA-N 1 3 333.476 1.498 20 0 EDADHO CSC1(CNC(=O)NCCN2CCC[C@H]2C)CC[NH+](C)CC1 ZINC000894951309 591496820 /nfs/dbraw/zinc/49/68/20/591496820.db2.gz LRYAMFSOCBTAKJ-CQSZACIVSA-N 1 3 328.526 1.597 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897548146 591546966 /nfs/dbraw/zinc/54/69/66/591546966.db2.gz AQGLHSNZWJQCIX-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897548146 591546969 /nfs/dbraw/zinc/54/69/69/591546969.db2.gz AQGLHSNZWJQCIX-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000900410246 592010989 /nfs/dbraw/zinc/01/09/89/592010989.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000900410246 592010992 /nfs/dbraw/zinc/01/09/92/592010992.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000900427433 592015784 /nfs/dbraw/zinc/01/57/84/592015784.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000900427433 592015786 /nfs/dbraw/zinc/01/57/86/592015786.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000900440092 592019197 /nfs/dbraw/zinc/01/91/97/592019197.db2.gz HQXVIDBZBAEFJF-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CN(C)CCn1nccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000900659906 592083869 /nfs/dbraw/zinc/08/38/69/592083869.db2.gz PUCYSVHZDLQLAZ-UHFFFAOYSA-N 1 3 335.496 1.831 20 0 EDADHO COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(CN(C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117572 592123414 /nfs/dbraw/zinc/12/34/14/592123414.db2.gz VCASXRBFYADKIO-KONPQCLYSA-N 1 3 339.480 1.287 20 0 EDADHO CCC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(CN(C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903118986 592123512 /nfs/dbraw/zinc/12/35/12/592123512.db2.gz POFDNXZOLXIYBC-RWQQGDIJSA-N 1 3 337.508 1.457 20 0 EDADHO COCCOc1ccccc1N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903457724 592171114 /nfs/dbraw/zinc/17/11/14/592171114.db2.gz ZNVBJIQBPMFMTQ-SJORKVTESA-N 1 3 333.476 1.961 20 0 EDADHO C(c1nc2c(o1)CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505457 592181939 /nfs/dbraw/zinc/18/19/39/592181939.db2.gz CABGDLGBLAMWFO-IYBDPMFKSA-N 1 3 330.476 1.954 20 0 EDADHO C(c1nc2c(o1)CCCC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505457 592181940 /nfs/dbraw/zinc/18/19/40/592181940.db2.gz CABGDLGBLAMWFO-IYBDPMFKSA-N 1 3 330.476 1.954 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(C(F)(F)F)cn1)C2 ZINC000903492926 592185847 /nfs/dbraw/zinc/18/58/47/592185847.db2.gz LRKHUNKJSSITKY-ZOWXZIJZSA-N 1 3 343.349 1.813 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC(C1CC1)C1CC1 ZINC000903509610 592189878 /nfs/dbraw/zinc/18/98/78/592189878.db2.gz KMAGVFHQMYHGMC-HDICACEKSA-N 1 3 346.519 1.192 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC(C1CC1)C1CC1 ZINC000903509610 592189879 /nfs/dbraw/zinc/18/98/79/592189879.db2.gz KMAGVFHQMYHGMC-HDICACEKSA-N 1 3 346.519 1.192 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657398 592239014 /nfs/dbraw/zinc/23/90/14/592239014.db2.gz YHLXVMFDEODKBD-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO Cc1cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)n(C2CCN(C)CC2)n1 ZINC000904366085 592242421 /nfs/dbraw/zinc/24/24/21/592242421.db2.gz DYRMGZIFEBASAQ-SFHVURJKSA-N 1 3 346.479 1.818 20 0 EDADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnc(N3CCCC3)nc1)CC2 ZINC000904389074 592242493 /nfs/dbraw/zinc/24/24/93/592242493.db2.gz GQBRZDZNQUOJEE-INIZCTEOSA-N 1 3 331.464 1.407 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H](N)CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377193 592245324 /nfs/dbraw/zinc/24/53/24/592245324.db2.gz KSIXOLVNRVYCME-BZUAXINKSA-N 1 3 325.497 1.567 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H](N)CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377193 592245328 /nfs/dbraw/zinc/24/53/28/592245328.db2.gz KSIXOLVNRVYCME-BZUAXINKSA-N 1 3 325.497 1.567 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CN ZINC000906663873 592245889 /nfs/dbraw/zinc/24/58/89/592245889.db2.gz IMZJVCGHOPEMIX-HUUCEWRRSA-N 1 3 330.432 1.169 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1CN ZINC000906663873 592245891 /nfs/dbraw/zinc/24/58/91/592245891.db2.gz IMZJVCGHOPEMIX-HUUCEWRRSA-N 1 3 330.432 1.169 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000906668682 592250082 /nfs/dbraw/zinc/25/00/82/592250082.db2.gz OQFZZQCXLDGCPI-UHFFFAOYSA-N 1 3 346.475 1.810 20 0 EDADHO O=C(C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903718320 592280729 /nfs/dbraw/zinc/28/07/29/592280729.db2.gz KQEHBHBPZIRQNU-SFHVURJKSA-N 1 3 349.519 1.870 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000901200691 592283451 /nfs/dbraw/zinc/28/34/51/592283451.db2.gz IPYADGINEPRRSH-ZWKOTPCHSA-N 1 3 347.507 1.748 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000901200691 592283452 /nfs/dbraw/zinc/28/34/52/592283452.db2.gz IPYADGINEPRRSH-ZWKOTPCHSA-N 1 3 347.507 1.748 20 0 EDADHO CN(C[C@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725617 592284680 /nfs/dbraw/zinc/28/46/80/592284680.db2.gz DSGMWGOMUNUUJP-RBUKOAKNSA-N 1 3 348.487 1.655 20 0 EDADHO COc1cc2c(cc1OC)CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727873 592286161 /nfs/dbraw/zinc/28/61/61/592286161.db2.gz YOPZTBKLCQBNOI-FXAWDEMLSA-N 1 3 346.471 1.873 20 0 EDADHO NC(=O)C1(c2ccccc2)CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903729468 592287224 /nfs/dbraw/zinc/28/72/24/592287224.db2.gz NEXYVZKMGWHWTM-IEBWSBKVSA-N 1 3 343.471 1.274 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000904607897 592295497 /nfs/dbraw/zinc/29/54/97/592295497.db2.gz VRLUFHGERRXYTL-IAGOWNOFSA-N 1 3 346.475 1.943 20 0 EDADHO Cn1cc(CN2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753360 592296866 /nfs/dbraw/zinc/29/68/66/592296866.db2.gz UIQKSEHVMZBDJT-SFHVURJKSA-N 1 3 347.507 1.087 20 0 EDADHO c1ccc(CCN2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734049 592298199 /nfs/dbraw/zinc/29/81/99/592298199.db2.gz UDCPVGDNHOHVHQ-VQTJNVASSA-N 1 3 329.488 1.615 20 0 EDADHO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCCN(c2cccnn2)C1 ZINC000903738982 592300063 /nfs/dbraw/zinc/30/00/63/592300063.db2.gz AJESJVRYDIMHGL-XYJFISCASA-N 1 3 331.464 1.146 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740013 592301693 /nfs/dbraw/zinc/30/16/93/592301693.db2.gz RQKVMZAPTIHLFB-HOJAQTOUSA-N 1 3 329.488 1.961 20 0 EDADHO C[C@]1(C2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)COC(=O)N1 ZINC000903787178 592323025 /nfs/dbraw/zinc/32/30/25/592323025.db2.gz VEHVNNJXNNNLKF-DOTOQJQBSA-N 1 3 337.464 1.356 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884639 592362727 /nfs/dbraw/zinc/36/27/27/592362727.db2.gz FMFOIYMHPDPCTD-YJBOKZPZSA-N 1 3 330.476 1.729 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954365 592396105 /nfs/dbraw/zinc/39/61/05/592396105.db2.gz RSYWYQBNTRHEJM-IPYPFGDCSA-N 1 3 333.398 1.848 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954365 592396108 /nfs/dbraw/zinc/39/61/08/592396108.db2.gz RSYWYQBNTRHEJM-IPYPFGDCSA-N 1 3 333.398 1.848 20 0 EDADHO O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000905204031 592463304 /nfs/dbraw/zinc/46/33/04/592463304.db2.gz NBGUGBPQELAHGH-MOPGFXCFSA-N 1 3 348.487 1.399 20 0 EDADHO Cn1cc(C(=O)NCC2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904315477 592474325 /nfs/dbraw/zinc/47/43/25/592474325.db2.gz BCALJOFEAWUQNG-SFHVURJKSA-N 1 3 333.480 1.252 20 0 EDADHO Cn1cc(C(=O)NCC2CC[NH+](C[C@@]3(C)CCCNC3)CC2)cn1 ZINC000904315477 592474328 /nfs/dbraw/zinc/47/43/28/592474328.db2.gz BCALJOFEAWUQNG-SFHVURJKSA-N 1 3 333.480 1.252 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000908357249 592476512 /nfs/dbraw/zinc/47/65/12/592476512.db2.gz FKQJLMXJLIHXQO-HNNXBMFYSA-N 1 3 333.480 1.391 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[N@H+](C2CCC2)C1 ZINC000908357249 592476514 /nfs/dbraw/zinc/47/65/14/592476514.db2.gz FKQJLMXJLIHXQO-HNNXBMFYSA-N 1 3 333.480 1.391 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240904 592485108 /nfs/dbraw/zinc/48/51/08/592485108.db2.gz BHWIREOFHGCGCK-ZWKOTPCHSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240904 592485109 /nfs/dbraw/zinc/48/51/09/592485109.db2.gz BHWIREOFHGCGCK-ZWKOTPCHSA-N 1 3 334.460 1.001 20 0 EDADHO CCN1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502908 592545955 /nfs/dbraw/zinc/54/59/55/592545955.db2.gz LWWOQGYUOZKPMJ-YYWYGQEZSA-N 1 3 328.497 1.232 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000908592046 592556639 /nfs/dbraw/zinc/55/66/39/592556639.db2.gz FURQMMXHZGEKLX-XHSDSOJGSA-N 1 3 325.497 1.599 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000905586691 592582523 /nfs/dbraw/zinc/58/25/23/592582523.db2.gz OAEXSZFWBIEQOK-FPCVCCKLSA-N 1 3 339.480 1.146 20 0 EDADHO COc1nc(C)nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1C ZINC000905700003 592614027 /nfs/dbraw/zinc/61/40/27/592614027.db2.gz GZEAOBMUAKNBHZ-IYBDPMFKSA-N 1 3 331.464 1.507 20 0 EDADHO COc1nc(C)nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1C ZINC000905700003 592614029 /nfs/dbraw/zinc/61/40/29/592614029.db2.gz GZEAOBMUAKNBHZ-IYBDPMFKSA-N 1 3 331.464 1.507 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905889612 592668926 /nfs/dbraw/zinc/66/89/26/592668926.db2.gz NKFKTBVYKPCXPG-OALUTQOASA-N 1 3 336.476 1.520 20 0 EDADHO CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000906093095 592740376 /nfs/dbraw/zinc/74/03/76/592740376.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 1 3 344.503 1.261 20 0 EDADHO CN1CC[N@@H+](C)CC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000906093095 592740378 /nfs/dbraw/zinc/74/03/78/592740378.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 1 3 344.503 1.261 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000906581185 592857830 /nfs/dbraw/zinc/85/78/30/592857830.db2.gz SULXMLUPIDNQLG-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000906581185 592857832 /nfs/dbraw/zinc/85/78/32/592857832.db2.gz SULXMLUPIDNQLG-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645823 592865797 /nfs/dbraw/zinc/86/57/97/592865797.db2.gz LMDJSKASMXASOD-KBPBESRZSA-N 1 3 332.448 1.320 20 0 EDADHO COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(N)C[C@H]1c1ccccc1 ZINC000911663537 592973198 /nfs/dbraw/zinc/97/31/98/592973198.db2.gz DVQNQTNXFUDCFW-FRQCXROJSA-N 1 3 325.412 1.696 20 0 EDADHO C[C@H]1CCCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)[C@H]1C[NH3+] ZINC000911823879 593017405 /nfs/dbraw/zinc/01/74/05/593017405.db2.gz AOWJRMJPNAQOIG-IETSOEAISA-N 1 3 343.393 1.950 20 0 EDADHO C[NH+](C)CC(C)(C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000838475281 593176931 /nfs/dbraw/zinc/17/69/31/593176931.db2.gz BVPMMZXDVOKTQX-HNNXBMFYSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)n1ncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1N ZINC000757939596 593389628 /nfs/dbraw/zinc/38/96/28/593389628.db2.gz PSFHOANREBXEKP-UHFFFAOYSA-N 1 3 348.495 1.335 20 0 EDADHO CCN1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000769614717 593444788 /nfs/dbraw/zinc/44/47/88/593444788.db2.gz CIZTZGPEQVAJBO-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000811930677 593486602 /nfs/dbraw/zinc/48/66/02/593486602.db2.gz ABSRFHKVFUCPQP-RDJZCZTQSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000811930677 593486603 /nfs/dbraw/zinc/48/66/03/593486603.db2.gz ABSRFHKVFUCPQP-RDJZCZTQSA-N 1 3 340.512 1.658 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(C)c1Cl ZINC000816610614 593534539 /nfs/dbraw/zinc/53/45/39/593534539.db2.gz RIZDOJKRAVTJGN-OAHLLOKOSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnn(C)c1Cl ZINC000816610614 593534540 /nfs/dbraw/zinc/53/45/40/593534540.db2.gz RIZDOJKRAVTJGN-OAHLLOKOSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(C)c1Cl ZINC000816610613 593534609 /nfs/dbraw/zinc/53/46/09/593534609.db2.gz RIZDOJKRAVTJGN-HNNXBMFYSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(C)c1Cl ZINC000816610613 593534611 /nfs/dbraw/zinc/53/46/11/593534611.db2.gz RIZDOJKRAVTJGN-HNNXBMFYSA-N 1 3 327.904 1.921 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891580 593645750 /nfs/dbraw/zinc/64/57/50/593645750.db2.gz DNKBULNUGDOPOX-CVEARBPZSA-N 1 3 325.478 1.213 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819005233 593733726 /nfs/dbraw/zinc/73/37/26/593733726.db2.gz YYFZNCIJTDWDQF-HOCLYGCPSA-N 1 3 339.867 1.550 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC[C@H](O)c2ccc(F)cn2)c1 ZINC000819010552 593733882 /nfs/dbraw/zinc/73/38/82/593733882.db2.gz CZEOMCVKSMAPED-SFHVURJKSA-N 1 3 333.407 1.984 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1CCOC2 ZINC000824825926 594080674 /nfs/dbraw/zinc/08/06/74/594080674.db2.gz FFDFLIDVSRCDKW-HNNXBMFYSA-N 1 3 333.476 1.761 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1CCOC2 ZINC000824825926 594080676 /nfs/dbraw/zinc/08/06/76/594080676.db2.gz FFDFLIDVSRCDKW-HNNXBMFYSA-N 1 3 333.476 1.761 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567578 594201361 /nfs/dbraw/zinc/20/13/61/594201361.db2.gz CFZPFASFYICRDO-HJUDDPQBSA-N 1 3 345.491 1.754 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567578 594201363 /nfs/dbraw/zinc/20/13/63/594201363.db2.gz CFZPFASFYICRDO-HJUDDPQBSA-N 1 3 345.491 1.754 20 0 EDADHO CC1(C)[C@@H](O)CCN1Cc1cncc(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973435 594304534 /nfs/dbraw/zinc/30/45/34/594304534.db2.gz FEETXIFGHYMOFB-IRXDYDNUSA-N 1 3 333.476 1.772 20 0 EDADHO CC1(C)[C@@H](O)CCN1Cc1cncc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973435 594304535 /nfs/dbraw/zinc/30/45/35/594304535.db2.gz FEETXIFGHYMOFB-IRXDYDNUSA-N 1 3 333.476 1.772 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000841017353 594839851 /nfs/dbraw/zinc/83/98/51/594839851.db2.gz DRQKSUCJYAUQRZ-MRXNPFEDSA-N 1 3 345.491 1.902 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCCCC1 ZINC000841020468 594840862 /nfs/dbraw/zinc/84/08/62/594840862.db2.gz RQQGQQGRMDYWJO-KGLIPLIRSA-N 1 3 332.448 1.635 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000841385526 594890987 /nfs/dbraw/zinc/89/09/87/594890987.db2.gz CZQNWIXCOJUJBX-OKZBNKHCSA-N 1 3 331.460 1.659 20 0 EDADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847835 594964882 /nfs/dbraw/zinc/96/48/82/594964882.db2.gz VGTJRSBNISOQHV-DYVFJYSZSA-N 1 3 345.443 1.922 20 0 EDADHO C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000841896838 594976271 /nfs/dbraw/zinc/97/62/71/594976271.db2.gz RUYJBFRHFHVHGV-HKUYNNGSSA-N 1 3 330.476 1.950 20 0 EDADHO COc1cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)ccc1OCCN(C)C ZINC000843200585 595031763 /nfs/dbraw/zinc/03/17/63/595031763.db2.gz HKHMPSPUUWVKFM-CQSZACIVSA-N 1 3 346.431 1.980 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)N2CCCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509759 595123201 /nfs/dbraw/zinc/12/32/01/595123201.db2.gz LVLJSEVTNGRPAU-OLZOCXBDSA-N 1 3 326.828 1.010 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843476703 595123853 /nfs/dbraw/zinc/12/38/53/595123853.db2.gz JPPZQAIKUMPISB-MRXNPFEDSA-N 1 3 337.439 1.485 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442162 595124293 /nfs/dbraw/zinc/12/42/93/595124293.db2.gz QZQPHOJOKFWWKG-SFHVURJKSA-N 1 3 342.487 1.896 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843119435 595291141 /nfs/dbraw/zinc/29/11/41/595291141.db2.gz PBGUWJAYOOZTFC-KRWDZBQOSA-N 1 3 332.492 1.501 20 0 EDADHO COCC1(C(=O)N(C)c2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000844182681 595294805 /nfs/dbraw/zinc/29/48/05/595294805.db2.gz NRHFCFIKXLLUPZ-UHFFFAOYSA-N 1 3 349.475 1.606 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674334 595298408 /nfs/dbraw/zinc/29/84/08/595298408.db2.gz MMCGYTIFIFGDOT-QGZVFWFLSA-N 1 3 333.480 1.046 20 0 EDADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218578 595305154 /nfs/dbraw/zinc/30/51/54/595305154.db2.gz WHBADSQDJVJSAJ-MRXNPFEDSA-N 1 3 346.475 1.523 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222936 595307424 /nfs/dbraw/zinc/30/74/24/595307424.db2.gz NTKKJCNOYSTNIT-CVEARBPZSA-N 1 3 346.475 1.521 20 0 EDADHO COC(=O)/C=C\c1ccc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896251 595464372 /nfs/dbraw/zinc/46/43/72/595464372.db2.gz WJORGVZNZOGTID-IYKSTZQJSA-N 1 3 347.459 1.724 20 0 EDADHO CO[C@@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCOC1 ZINC000849085402 595479754 /nfs/dbraw/zinc/47/97/54/595479754.db2.gz JDODPJWZKSDKOJ-LJQANCHMSA-N 1 3 346.475 1.570 20 0 EDADHO CCN1CCN(Cc2ccc(CNC3=[NH+]CCCN3C)cc2)CC1 ZINC000849110748 595483615 /nfs/dbraw/zinc/48/36/15/595483615.db2.gz MZTMLPLQYLRWKA-UHFFFAOYSA-N 1 3 329.492 1.605 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551362 /nfs/dbraw/zinc/55/13/62/595551362.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551364 /nfs/dbraw/zinc/55/13/64/595551364.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 1 3 335.496 1.302 20 0 EDADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849540974 595559869 /nfs/dbraw/zinc/55/98/69/595559869.db2.gz KLPZJIWGGLVARR-QZTJIDSGSA-N 1 3 349.523 1.694 20 0 EDADHO NC[C@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)=NO1 ZINC000852856615 595577960 /nfs/dbraw/zinc/57/79/60/595577960.db2.gz BZXLVVKSCVINSF-MRXNPFEDSA-N 1 3 330.432 1.392 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852857826 595578805 /nfs/dbraw/zinc/57/88/05/595578805.db2.gz HIQVBYAANFARKR-PBHICJAKSA-N 1 3 344.459 1.638 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852857826 595578806 /nfs/dbraw/zinc/57/88/06/595578806.db2.gz HIQVBYAANFARKR-PBHICJAKSA-N 1 3 344.459 1.638 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852857503 595578991 /nfs/dbraw/zinc/57/89/91/595578991.db2.gz VQWYGQWUZDAELJ-HNNXBMFYSA-N 1 3 334.420 1.449 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000852866170 595585781 /nfs/dbraw/zinc/58/57/81/595585781.db2.gz UHBRJLYEDSVOQC-UHFFFAOYSA-N 1 3 343.471 1.569 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873137 595591198 /nfs/dbraw/zinc/59/11/98/595591198.db2.gz WKMDYYKIQVHLFQ-IAGOWNOFSA-N 1 3 332.448 1.131 20 0 EDADHO CN(C)CCN(C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000857783866 595611372 /nfs/dbraw/zinc/61/13/72/595611372.db2.gz GIDSEQYFWKZSCQ-UHFFFAOYSA-N 1 3 342.528 1.859 20 0 EDADHO CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346373 595680972 /nfs/dbraw/zinc/68/09/72/595680972.db2.gz ZCHHCTPRULPXJJ-HNNXBMFYSA-N 1 3 348.491 1.955 20 0 EDADHO CC(=O)Nc1c(C)cccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346373 595680975 /nfs/dbraw/zinc/68/09/75/595680975.db2.gz ZCHHCTPRULPXJJ-HNNXBMFYSA-N 1 3 348.491 1.955 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)CCCO2 ZINC000853249186 595719529 /nfs/dbraw/zinc/71/95/29/595719529.db2.gz OFUAZVMFEFRYLM-GJZGRUSLSA-N 1 3 331.460 1.860 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780814 595920955 /nfs/dbraw/zinc/92/09/55/595920955.db2.gz KQYPCNWHLOEKFO-GJZGRUSLSA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000851780814 595920957 /nfs/dbraw/zinc/92/09/57/595920957.db2.gz KQYPCNWHLOEKFO-GJZGRUSLSA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000851780814 595920958 /nfs/dbraw/zinc/92/09/58/595920958.db2.gz KQYPCNWHLOEKFO-GJZGRUSLSA-N 1 3 334.397 1.989 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000861768601 596096024 /nfs/dbraw/zinc/09/60/24/596096024.db2.gz MASLXTKKTPJIQF-CABCVRRESA-N 1 3 346.475 1.134 20 0 EDADHO CCC[NH+]1CCC(NCCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000866576517 596255882 /nfs/dbraw/zinc/25/58/82/596255882.db2.gz GXKAUNRITCISRE-UHFFFAOYSA-N 1 3 339.505 1.601 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cccc3c2CCOC3)C1 ZINC000866711152 596304104 /nfs/dbraw/zinc/30/41/04/596304104.db2.gz CXJHSNPVRKHKDJ-BPQIPLTHSA-N 1 3 343.427 1.126 20 0 EDADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000871018592 596440021 /nfs/dbraw/zinc/44/00/21/596440021.db2.gz CEVUHGAQNRFZLC-RTBURBONSA-N 1 3 346.519 1.779 20 0 EDADHO c1nc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)cn1C1CC1 ZINC000865439338 596574734 /nfs/dbraw/zinc/57/47/34/596574734.db2.gz UNZSGBZMUSZOPD-UHFFFAOYSA-N 1 3 340.475 1.915 20 0 EDADHO CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000871466960 596593128 /nfs/dbraw/zinc/59/31/28/596593128.db2.gz AZGVGSAHQBKTNG-HRCADAONSA-N 1 3 340.512 1.164 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc(N)nc(C2CCCC2)n1 ZINC000865933897 596727905 /nfs/dbraw/zinc/72/79/05/596727905.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 1 3 335.500 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc(N)nc(C2CCCC2)n1 ZINC000865933897 596727906 /nfs/dbraw/zinc/72/79/06/596727906.db2.gz NVPTZTBYIOLMDW-ZDUSSCGKSA-N 1 3 335.500 1.795 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000868217912 596729614 /nfs/dbraw/zinc/72/96/14/596729614.db2.gz WLOYTZFJBSJGKN-HZPDHXFCSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868362813 596803077 /nfs/dbraw/zinc/80/30/77/596803077.db2.gz BBVJFVAQZPUYKX-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C)CCOc1ccc(-c2noc([C@]3(C[NH3+])CCCOC3)n2)cc1 ZINC000872173117 596819798 /nfs/dbraw/zinc/81/97/98/596819798.db2.gz KULPWILXRWYBRY-SFHVURJKSA-N 1 3 346.431 1.684 20 0 EDADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC1(N2CCOCC2)CCCC1 ZINC000874838215 597192671 /nfs/dbraw/zinc/19/26/71/597192671.db2.gz OHXXMFPNZBPBFA-DLBZAZTESA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCCC[C@H]1C ZINC000875071807 597269842 /nfs/dbraw/zinc/26/98/42/597269842.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 1 3 340.512 1.394 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCCC[C@H]1C ZINC000875071807 597269844 /nfs/dbraw/zinc/26/98/44/597269844.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 1 3 340.512 1.394 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875112117 597287045 /nfs/dbraw/zinc/28/70/45/597287045.db2.gz DQJCAYKMRWZTMK-KSTDHSDQSA-N 1 3 340.512 1.212 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@H](N)CC[NH+](C)C ZINC000877030919 597416966 /nfs/dbraw/zinc/41/69/66/597416966.db2.gz NSOOAHHEOHZRQS-JFIYKMOQSA-N 1 3 330.476 1.408 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1CNCC2 ZINC000877120776 597437812 /nfs/dbraw/zinc/43/78/12/597437812.db2.gz VEAPTYRNAXMRJF-HNNXBMFYSA-N 1 3 339.443 1.307 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2c1CNCC2 ZINC000877120776 597437815 /nfs/dbraw/zinc/43/78/15/597437815.db2.gz VEAPTYRNAXMRJF-HNNXBMFYSA-N 1 3 339.443 1.307 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1(C)C ZINC000877342419 597496198 /nfs/dbraw/zinc/49/61/98/597496198.db2.gz BLSRRZYCUHLZHV-FRQCXROJSA-N 1 3 331.460 1.350 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000879558334 597631743 /nfs/dbraw/zinc/63/17/43/597631743.db2.gz IRGAMDZJPJMSDX-LSDHHAIUSA-N 1 3 325.522 1.660 20 0 EDADHO CC(C)c1n[nH]c(CC2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000878800389 597715855 /nfs/dbraw/zinc/71/58/55/597715855.db2.gz WREOCKGEWVTMAC-INIZCTEOSA-N 1 3 335.496 1.639 20 0 EDADHO Cc1nc(C)c(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435872 597745652 /nfs/dbraw/zinc/74/56/52/597745652.db2.gz FDKUMISHQSVKFT-OAHLLOKOSA-N 1 3 344.463 1.804 20 0 EDADHO COCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000884202534 598027216 /nfs/dbraw/zinc/02/72/16/598027216.db2.gz AQDULANUNYMOEA-OAHLLOKOSA-N 1 3 325.478 1.440 20 0 EDADHO CN(CCN1CCCCC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884389071 598089568 /nfs/dbraw/zinc/08/95/68/598089568.db2.gz NYXPCJAWPLETLV-UHFFFAOYSA-N 1 3 331.464 1.049 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1)N1CCCCC1 ZINC000992690977 695208048 /nfs/dbraw/zinc/20/80/48/695208048.db2.gz MSRHSUWZMMEJBE-BBWFWOEESA-N 1 3 337.508 1.460 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCN1CCO ZINC000993800747 696377813 /nfs/dbraw/zinc/37/78/13/696377813.db2.gz AXFTZCWGTXOOMX-CRAIPNDOSA-N 1 3 333.476 1.366 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000916032280 696615285 /nfs/dbraw/zinc/61/52/85/696615285.db2.gz MTDBBLWEHZMQLH-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994412408 696838275 /nfs/dbraw/zinc/83/82/75/696838275.db2.gz VERZXPSZSMAYLF-WMZOPIPTSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994412408 696838277 /nfs/dbraw/zinc/83/82/77/696838277.db2.gz VERZXPSZSMAYLF-WMZOPIPTSA-N 1 3 330.476 1.955 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1CCN1C1CCOCC1)C1CCCC1 ZINC000916979182 696868516 /nfs/dbraw/zinc/86/85/16/696868516.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1CCN1C1CCOCC1)C1CCCC1 ZINC000916979182 696868520 /nfs/dbraw/zinc/86/85/20/696868520.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636731 697308685 /nfs/dbraw/zinc/30/86/85/697308685.db2.gz YRPGVKAELRXCHG-IRXDYDNUSA-N 1 3 349.479 1.094 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC000940121151 700254545 /nfs/dbraw/zinc/25/45/45/700254545.db2.gz YBGUYAFNAZEXMD-NVXWUHKLSA-N 1 3 347.507 1.539 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC000940121151 700254549 /nfs/dbraw/zinc/25/45/49/700254549.db2.gz YBGUYAFNAZEXMD-NVXWUHKLSA-N 1 3 347.507 1.539 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939136689 699223130 /nfs/dbraw/zinc/22/31/30/699223130.db2.gz BOXMZCVYWSCPTI-JKSUJKDBSA-N 1 3 333.480 1.052 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939398632 699547753 /nfs/dbraw/zinc/54/77/53/699547753.db2.gz PMFMPOCJMSAVGC-GDBMZVCRSA-N 1 3 336.505 1.812 20 0 EDADHO CCN1CC(N2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941633991 701601222 /nfs/dbraw/zinc/60/12/22/701601222.db2.gz AYTHYPBYENGPHK-FQEVSTJZSA-N 1 3 344.503 1.312 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cccc(Cl)n1 ZINC000939543655 699685070 /nfs/dbraw/zinc/68/50/70/699685070.db2.gz FQIMOBWCPGWHKU-DZGCQCFKSA-N 1 3 348.878 1.767 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941674457 701614501 /nfs/dbraw/zinc/61/45/01/701614501.db2.gz CAJCOQJDEQHYAQ-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941674457 701614502 /nfs/dbraw/zinc/61/45/02/701614502.db2.gz CAJCOQJDEQHYAQ-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)ncn1 ZINC000940148669 700281586 /nfs/dbraw/zinc/28/15/86/700281586.db2.gz CHGWOFDUTUXTTA-QGZVFWFLSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000940164557 700298994 /nfs/dbraw/zinc/29/89/94/700298994.db2.gz QAPAIIZVEBBZNA-KRWDZBQOSA-N 1 3 349.523 1.785 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(C)(NCc3cn(C)nn3)CC2)CC[N@@H+]1C ZINC000940282099 700470690 /nfs/dbraw/zinc/47/06/90/700470690.db2.gz HVISICUNOOKVEC-GJZGRUSLSA-N 1 3 348.495 1.016 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(C)(NCc3cn(C)nn3)CC2)CC[N@H+]1C ZINC000940282099 700470693 /nfs/dbraw/zinc/47/06/93/700470693.db2.gz HVISICUNOOKVEC-GJZGRUSLSA-N 1 3 348.495 1.016 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940328029 700505928 /nfs/dbraw/zinc/50/59/28/700505928.db2.gz CQRMCIQWDHNTCC-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940328029 700505930 /nfs/dbraw/zinc/50/59/30/700505930.db2.gz CQRMCIQWDHNTCC-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329227 700508268 /nfs/dbraw/zinc/50/82/68/700508268.db2.gz RTZMVMBVIFKZDX-INIZCTEOSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329227 700508270 /nfs/dbraw/zinc/50/82/70/700508270.db2.gz RTZMVMBVIFKZDX-INIZCTEOSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(C[C@H](CC)OC)C2)C1 ZINC001031919225 701044384 /nfs/dbraw/zinc/04/43/84/701044384.db2.gz OZXWLAOEDYPHSK-IRXDYDNUSA-N 1 3 325.497 1.581 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(C[C@H](CC)OC)C2)C1 ZINC001031919225 701044385 /nfs/dbraw/zinc/04/43/85/701044385.db2.gz OZXWLAOEDYPHSK-IRXDYDNUSA-N 1 3 325.497 1.581 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791891 702086865 /nfs/dbraw/zinc/08/68/65/702086865.db2.gz FAPDERNDGNALEW-DLBZAZTESA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791891 702086874 /nfs/dbraw/zinc/08/68/74/702086874.db2.gz FAPDERNDGNALEW-DLBZAZTESA-N 1 3 347.507 1.620 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cncc(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995822457 702092059 /nfs/dbraw/zinc/09/20/59/702092059.db2.gz CADCDPMTAWSXCQ-KBRIMQKVSA-N 1 3 348.466 1.888 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cncc(F)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995822457 702092067 /nfs/dbraw/zinc/09/20/67/702092067.db2.gz CADCDPMTAWSXCQ-KBRIMQKVSA-N 1 3 348.466 1.888 20 0 EDADHO Cc1ccncc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944157356 702454304 /nfs/dbraw/zinc/45/43/04/702454304.db2.gz ZPILSFMBVFWFCF-SJLPKXTDSA-N 1 3 342.487 1.812 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070452 702481540 /nfs/dbraw/zinc/48/15/40/702481540.db2.gz MHEHYCFXJCOJPO-ASPXRTSYSA-N 1 3 347.503 1.476 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996300079 702691178 /nfs/dbraw/zinc/69/11/78/702691178.db2.gz JQWKRGPIERDVOC-GOEBONIOSA-N 1 3 333.480 1.231 20 0 EDADHO Cn1nccc1C[NH2+][C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996307310 702695126 /nfs/dbraw/zinc/69/51/26/702695126.db2.gz ASRTVYWKBBUJIY-INIZCTEOSA-N 1 3 347.507 1.479 20 0 EDADHO Cn1cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC2(C)C)cn1 ZINC000996308293 702698568 /nfs/dbraw/zinc/69/85/68/702698568.db2.gz FDLCAKBZKPQYCI-MRXNPFEDSA-N 1 3 347.507 1.479 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3ccccn3)C(C)(C)C2)C1 ZINC000996516510 702851708 /nfs/dbraw/zinc/85/17/08/702851708.db2.gz AMVGFQYPVYWIDN-NVXWUHKLSA-N 1 3 330.476 1.750 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3ccccn3)C(C)(C)C2)C1 ZINC000996516510 702851711 /nfs/dbraw/zinc/85/17/11/702851711.db2.gz AMVGFQYPVYWIDN-NVXWUHKLSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)s1 ZINC000996560461 702878761 /nfs/dbraw/zinc/87/87/61/702878761.db2.gz HXTZMIQNUFXHTH-MRXNPFEDSA-N 1 3 348.516 1.874 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614413 702919657 /nfs/dbraw/zinc/91/96/57/702919657.db2.gz NERPOMVAJPRVHL-ZBFHGGJFSA-N 1 3 334.439 1.499 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614413 702919658 /nfs/dbraw/zinc/91/96/58/702919658.db2.gz NERPOMVAJPRVHL-ZBFHGGJFSA-N 1 3 334.439 1.499 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996662682 702959987 /nfs/dbraw/zinc/95/99/87/702959987.db2.gz PJUXOFKNYDPGSW-KRWDZBQOSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996662682 702959988 /nfs/dbraw/zinc/95/99/88/702959988.db2.gz PJUXOFKNYDPGSW-KRWDZBQOSA-N 1 3 333.480 1.375 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824056 703114240 /nfs/dbraw/zinc/11/42/40/703114240.db2.gz YILXTSKYHLDNDC-KGXSXCIVSA-N 1 3 347.503 1.620 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1 ZINC000996853440 703131930 /nfs/dbraw/zinc/13/19/30/703131930.db2.gz DFKURUAIMRYRHP-AAEUAGOBSA-N 1 3 330.354 1.589 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996995928 703252848 /nfs/dbraw/zinc/25/28/48/703252848.db2.gz UJRILUGKNUYVPH-AWEZNQCLSA-N 1 3 348.495 1.171 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)n1 ZINC000997000634 703257706 /nfs/dbraw/zinc/25/77/06/703257706.db2.gz RVOCLVKNDVTOME-INIZCTEOSA-N 1 3 347.507 1.565 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184288 703473141 /nfs/dbraw/zinc/47/31/41/703473141.db2.gz NWPBWERSWIHRQP-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184288 703473142 /nfs/dbraw/zinc/47/31/42/703473142.db2.gz NWPBWERSWIHRQP-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359191 703589843 /nfs/dbraw/zinc/58/98/43/703589843.db2.gz GNMZUYJPAZCDQG-KBPBESRZSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997616129 703915254 /nfs/dbraw/zinc/91/52/54/703915254.db2.gz YSNWAAOYSUZWBC-CQSZACIVSA-N 1 3 337.493 1.269 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032529628 704027824 /nfs/dbraw/zinc/02/78/24/704027824.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 1 3 345.487 1.325 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032529628 704027828 /nfs/dbraw/zinc/02/78/28/704027828.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 1 3 345.487 1.325 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071236 704092058 /nfs/dbraw/zinc/09/20/58/704092058.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071236 704092060 /nfs/dbraw/zinc/09/20/60/704092060.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 1 3 337.508 1.819 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1)C1CC1 ZINC001004455857 704449336 /nfs/dbraw/zinc/44/93/36/704449336.db2.gz BJSRGTKQSNNPQC-DLBZAZTESA-N 1 3 325.472 1.999 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1)C1CC1 ZINC001004455857 704449338 /nfs/dbraw/zinc/44/93/38/704449338.db2.gz BJSRGTKQSNNPQC-DLBZAZTESA-N 1 3 325.472 1.999 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC000997793521 704699009 /nfs/dbraw/zinc/69/90/09/704699009.db2.gz QKAQUYSXMITTJP-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3ccn(C)n3)CC2)CC[N@H+]1C ZINC000997793521 704699011 /nfs/dbraw/zinc/69/90/11/704699011.db2.gz QKAQUYSXMITTJP-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)o1 ZINC000997829847 704748465 /nfs/dbraw/zinc/74/84/65/704748465.db2.gz DFVIZEBRZKUVFY-GOSISDBHSA-N 1 3 348.491 1.960 20 0 EDADHO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC000997864591 704771512 /nfs/dbraw/zinc/77/15/12/704771512.db2.gz KTOKVUARKGLSJG-KRWDZBQOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000998082462 705309145 /nfs/dbraw/zinc/30/91/45/705309145.db2.gz PPUWEHYPWCHSGB-FUHWJXTLSA-N 1 3 337.508 1.583 20 0 EDADHO CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000998268015 705639490 /nfs/dbraw/zinc/63/94/90/705639490.db2.gz CPZPUSPSJAZDJA-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999353202 706866276 /nfs/dbraw/zinc/86/62/76/706866276.db2.gz LNQASMXXVXXXED-IRXDYDNUSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999353202 706866277 /nfs/dbraw/zinc/86/62/77/706866277.db2.gz LNQASMXXVXXXED-IRXDYDNUSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1noc(C)c1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379537 706873578 /nfs/dbraw/zinc/87/35/78/706873578.db2.gz ZFQYGABJQTXLLZ-DOTOQJQBSA-N 1 3 334.464 1.712 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407293 706916677 /nfs/dbraw/zinc/91/66/77/706916677.db2.gz TZKPJZIMBFMVTG-OOHWJJMZSA-N 1 3 333.480 1.026 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999572325 707078343 /nfs/dbraw/zinc/07/83/43/707078343.db2.gz CQWUVMAJYGASPX-FUHWJXTLSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccnn2C)C1 ZINC000999572325 707078345 /nfs/dbraw/zinc/07/83/45/707078345.db2.gz CQWUVMAJYGASPX-FUHWJXTLSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1cncc1CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999598548 707101369 /nfs/dbraw/zinc/10/13/69/707101369.db2.gz VJWVVWGRYOEQGQ-OAHLLOKOSA-N 1 3 331.464 1.129 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921685632 707155422 /nfs/dbraw/zinc/15/54/22/707155422.db2.gz JFFXGFQXQZVKAI-AWEZNQCLSA-N 1 3 332.448 1.897 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235993 /nfs/dbraw/zinc/23/59/93/707235993.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 1 3 337.508 1.534 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235995 /nfs/dbraw/zinc/23/59/95/707235995.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 1 3 337.508 1.534 20 0 EDADHO Cc1cnc([C@@H](C)NC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000999709889 707303041 /nfs/dbraw/zinc/30/30/41/707303041.db2.gz QUHXGHMRLABGCP-QQFBHYJXSA-N 1 3 343.475 1.521 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946784400 707308923 /nfs/dbraw/zinc/30/89/23/707308923.db2.gz JGNOEWPRRZORSF-NCOADZHNSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946784400 707308930 /nfs/dbraw/zinc/30/89/30/707308930.db2.gz JGNOEWPRRZORSF-NCOADZHNSA-N 1 3 325.497 1.532 20 0 EDADHO COCCN1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297728 707434040 /nfs/dbraw/zinc/43/40/40/707434040.db2.gz SLEFCWTYTABMOE-KRWDZBQOSA-N 1 3 333.476 1.583 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCc2cc(F)ccc2F)C1 ZINC000999833692 707465545 /nfs/dbraw/zinc/46/55/45/707465545.db2.gz BTQIPICRESLGKC-JQRITLKVSA-N 1 3 337.414 1.996 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cc(F)ccc2F)C1 ZINC000999833692 707465548 /nfs/dbraw/zinc/46/55/48/707465548.db2.gz BTQIPICRESLGKC-JQRITLKVSA-N 1 3 337.414 1.996 20 0 EDADHO C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004879951 707553849 /nfs/dbraw/zinc/55/38/49/707553849.db2.gz TWWYXHKXIKRNRT-QAPCUYQASA-N 1 3 347.507 1.764 20 0 EDADHO C[C@@H](NCc1ccnn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004980672 707823328 /nfs/dbraw/zinc/82/33/28/707823328.db2.gz LBNIFMWJPPGKBF-NVXWUHKLSA-N 1 3 345.491 1.375 20 0 EDADHO COc1ncccc1CN[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000195666 707833720 /nfs/dbraw/zinc/83/37/20/707833720.db2.gz ZDDKXISRDIRDNW-WBVHZDCISA-N 1 3 346.475 1.513 20 0 EDADHO COc1ncccc1CN[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000195666 707833723 /nfs/dbraw/zinc/83/37/23/707833723.db2.gz ZDDKXISRDIRDNW-WBVHZDCISA-N 1 3 346.475 1.513 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001033592366 708290701 /nfs/dbraw/zinc/29/07/01/708290701.db2.gz GBBBRJPONNZYDO-HOTGVXAUSA-N 1 3 335.492 1.430 20 0 EDADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001034013791 709228434 /nfs/dbraw/zinc/22/84/34/709228434.db2.gz WUYZGDLJVZMSGS-QAPCUYQASA-N 1 3 337.508 1.412 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001034039187 709271503 /nfs/dbraw/zinc/27/15/03/709271503.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 1 3 345.487 1.553 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001034039187 709271505 /nfs/dbraw/zinc/27/15/05/709271505.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 1 3 345.487 1.553 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034213801 709565722 /nfs/dbraw/zinc/56/57/22/709565722.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(CCOC3CCC3)C2)CC[N@H+]1C ZINC001034213801 709565723 /nfs/dbraw/zinc/56/57/23/709565723.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCCO)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001034250347 709612647 /nfs/dbraw/zinc/61/26/47/709612647.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCCO)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001034250347 709612651 /nfs/dbraw/zinc/61/26/51/709612651.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 1 3 337.508 1.747 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034642237 710317776 /nfs/dbraw/zinc/31/77/76/710317776.db2.gz DBERPKTZIVSFEY-KZNAEPCWSA-N 1 3 347.507 1.773 20 0 EDADHO Cc1cc(C)n(CC[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)n1 ZINC001003626287 710455643 /nfs/dbraw/zinc/45/56/43/710455643.db2.gz APXGUAVKLXGRHX-INIZCTEOSA-N 1 3 347.507 1.565 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636111 710463045 /nfs/dbraw/zinc/46/30/45/710463045.db2.gz SNPJUTZQTPWLMF-KBXCAEBGSA-N 1 3 347.507 1.278 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636111 710463047 /nfs/dbraw/zinc/46/30/47/710463047.db2.gz SNPJUTZQTPWLMF-KBXCAEBGSA-N 1 3 347.507 1.278 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658754 710587621 /nfs/dbraw/zinc/58/76/21/710587621.db2.gz FBFNBLRFKVTHEK-BZSNNMDCSA-N 1 3 347.507 1.812 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)C1 ZINC001034733276 710912976 /nfs/dbraw/zinc/91/29/76/710912976.db2.gz AGCRJLCJJDIAHJ-SZMVWBNQSA-N 1 3 337.508 1.772 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2nccs2)CC1)C12CC[NH+](CC1)C2 ZINC001034778295 711079855 /nfs/dbraw/zinc/07/98/55/711079855.db2.gz QOOYFMLRRKIQLH-HDJSIYSDSA-N 1 3 334.489 1.756 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034797163 711130586 /nfs/dbraw/zinc/13/05/86/711130586.db2.gz XOZDMQSCHAYRON-ULQDDVLXSA-N 1 3 347.507 1.812 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034797348 711131337 /nfs/dbraw/zinc/13/13/37/711131337.db2.gz XYLZOCFTWSEPLB-KLHDSHLOSA-N 1 3 348.495 1.205 20 0 EDADHO O=C(NC1CCN(Cc2ccc(CO)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001003974440 711133358 /nfs/dbraw/zinc/13/33/58/711133358.db2.gz KNTGYYJMGJYUQC-UHFFFAOYSA-N 1 3 343.471 1.355 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034958865 711432829 /nfs/dbraw/zinc/43/28/29/711432829.db2.gz MVUIUFXYLBLUQS-QZTJIDSGSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034958865 711432833 /nfs/dbraw/zinc/43/28/33/711432833.db2.gz MVUIUFXYLBLUQS-QZTJIDSGSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1cccc(OCCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004150798 711566696 /nfs/dbraw/zinc/56/66/96/711566696.db2.gz UHMTYNUGPFJLCS-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1cccc(OCCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004150798 711566698 /nfs/dbraw/zinc/56/66/98/711566698.db2.gz UHMTYNUGPFJLCS-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623887 711925461 /nfs/dbraw/zinc/92/54/61/711925461.db2.gz RWWALISPCDYLOW-YSHGAJCASA-N 1 3 349.519 1.534 20 0 EDADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623887 711925463 /nfs/dbraw/zinc/92/54/63/711925463.db2.gz RWWALISPCDYLOW-YSHGAJCASA-N 1 3 349.519 1.534 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946633223 712055462 /nfs/dbraw/zinc/05/54/62/712055462.db2.gz NQEYJADETFVPLZ-BBWFWOEESA-N 1 3 325.497 1.125 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)N(C)C ZINC000946633223 712055463 /nfs/dbraw/zinc/05/54/63/712055463.db2.gz NQEYJADETFVPLZ-BBWFWOEESA-N 1 3 325.497 1.125 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000158541933 282238133 /nfs/dbraw/zinc/23/81/33/282238133.db2.gz VDFFCQUWNPUPRL-GOSISDBHSA-N 1 3 332.492 1.433 20 0 EDADHO CC(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000103126159 219258188 /nfs/dbraw/zinc/25/81/88/219258188.db2.gz MEPPHDLGFPZZBQ-CYBMUJFWSA-N 1 3 342.461 1.066 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000562794262 306309266 /nfs/dbraw/zinc/30/92/66/306309266.db2.gz DQVRXTHGCPDOJU-AEFFLSMTSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000563545730 306338344 /nfs/dbraw/zinc/33/83/44/306338344.db2.gz XNUJMXPUHRPLGG-PIIMJCKOSA-N 1 3 328.460 1.476 20 0 EDADHO Cc1n[nH]c(C)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102942522 138298847 /nfs/dbraw/zinc/29/88/47/138298847.db2.gz LHWBNDNJCHMPAF-UHFFFAOYSA-N 1 3 333.480 1.244 20 0 EDADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CCCO1 ZINC000162315733 138645535 /nfs/dbraw/zinc/64/55/35/138645535.db2.gz BJZJGEOQZYILHC-BZSNNMDCSA-N 1 3 333.476 1.953 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947673 306371000 /nfs/dbraw/zinc/37/10/00/306371000.db2.gz WNAGDZXLNZDNJA-FRQCXROJSA-N 1 3 346.475 1.210 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000565420698 306383647 /nfs/dbraw/zinc/38/36/47/306383647.db2.gz NCVUVZBAUQIKQK-IAGOWNOFSA-N 1 3 338.540 1.638 20 0 EDADHO COC1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553163 304122222 /nfs/dbraw/zinc/12/22/22/304122222.db2.gz ICBMZPSMPNPLPW-UHFFFAOYSA-N 1 3 331.460 1.651 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699109 304129179 /nfs/dbraw/zinc/12/91/79/304129179.db2.gz RRGDXXLPJPCXFM-GOEBONIOSA-N 1 3 345.443 1.750 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699109 304129181 /nfs/dbraw/zinc/12/91/81/304129181.db2.gz RRGDXXLPJPCXFM-GOEBONIOSA-N 1 3 345.443 1.750 20 0 EDADHO CCC1CCC([N@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414739942 304135287 /nfs/dbraw/zinc/13/52/87/304135287.db2.gz CLSOEJVABSNHRH-AQFXKWCLSA-N 1 3 325.497 1.447 20 0 EDADHO CCC1CCC([N@@H+](CCO)C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414739942 304135288 /nfs/dbraw/zinc/13/52/88/304135288.db2.gz CLSOEJVABSNHRH-AQFXKWCLSA-N 1 3 325.497 1.447 20 0 EDADHO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414750092 304136951 /nfs/dbraw/zinc/13/69/51/304136951.db2.gz ZIVOCFIGXYTDME-MSOLQXFVSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414750092 304136953 /nfs/dbraw/zinc/13/69/53/304136953.db2.gz ZIVOCFIGXYTDME-MSOLQXFVSA-N 1 3 344.503 1.785 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000566619741 306422141 /nfs/dbraw/zinc/42/21/41/306422141.db2.gz OWBITYRJOPLPAJ-HNNXBMFYSA-N 1 3 340.418 1.541 20 0 EDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000447594953 296126026 /nfs/dbraw/zinc/12/60/26/296126026.db2.gz JUEUTJQLZRIWJP-IEBWSBKVSA-N 1 3 335.492 1.616 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)c1 ZINC000414841295 304146475 /nfs/dbraw/zinc/14/64/75/304146475.db2.gz LHXRHPASPFLLNO-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414849503 304147474 /nfs/dbraw/zinc/14/74/74/304147474.db2.gz HDVFFXLRZGFVKE-GASCZTMLSA-N 1 3 346.475 1.724 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN(C2CCCCC2)CC1 ZINC000418753931 284125089 /nfs/dbraw/zinc/12/50/89/284125089.db2.gz HRLGZQKTRFTSPM-CQSZACIVSA-N 1 3 330.423 1.644 20 0 EDADHO CCOc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414991015 304148866 /nfs/dbraw/zinc/14/88/66/304148866.db2.gz PVSUAFPNLIBXEP-MJGOQNOKSA-N 1 3 331.460 1.822 20 0 EDADHO COc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415100642 304160066 /nfs/dbraw/zinc/16/00/66/304160066.db2.gz GTNWTZUYKNOUKL-GFCCVEGCSA-N 1 3 325.840 1.636 20 0 EDADHO [NH3+]CC1(O)CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000415135122 304163057 /nfs/dbraw/zinc/16/30/57/304163057.db2.gz AINZIAMNHZUSKK-UHFFFAOYSA-N 1 3 327.428 1.946 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195247479 139011400 /nfs/dbraw/zinc/01/14/00/139011400.db2.gz YCHSHFDLKYKYDI-ZACQAIPSSA-N 1 3 331.435 1.716 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000236923276 139035265 /nfs/dbraw/zinc/03/52/65/139035265.db2.gz WSVDVLQCUSOPMT-QRQLOZEOSA-N 1 3 346.519 1.855 20 0 EDADHO C[C@@H](CCNC(=O)CNC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000237559975 139054079 /nfs/dbraw/zinc/05/40/79/139054079.db2.gz VUTKWFXUWBEWFX-WMZOPIPTSA-N 1 3 333.476 1.782 20 0 EDADHO C[C@@H](CCNC(=O)CNC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000237559975 139054080 /nfs/dbraw/zinc/05/40/80/139054080.db2.gz VUTKWFXUWBEWFX-WMZOPIPTSA-N 1 3 333.476 1.782 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000237587934 139054840 /nfs/dbraw/zinc/05/48/40/139054840.db2.gz WATHQLFIWIUXBO-QRQLOZEOSA-N 1 3 345.487 1.924 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CNC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000237587934 139054841 /nfs/dbraw/zinc/05/48/41/139054841.db2.gz WATHQLFIWIUXBO-QRQLOZEOSA-N 1 3 345.487 1.924 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000238018818 139066695 /nfs/dbraw/zinc/06/66/95/139066695.db2.gz DWXCCMXOIQSYQQ-SFHVURJKSA-N 1 3 330.476 1.457 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000238068622 139068129 /nfs/dbraw/zinc/06/81/29/139068129.db2.gz PETICPCSQAPQSB-IBGZPJMESA-N 1 3 345.487 1.660 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000415239893 304177662 /nfs/dbraw/zinc/17/76/62/304177662.db2.gz BZIPOWXJWBBJJM-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415281673 304184622 /nfs/dbraw/zinc/18/46/22/304184622.db2.gz LDPYLFPVPJPFPS-OAHLLOKOSA-N 1 3 346.475 1.187 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000415305589 304189910 /nfs/dbraw/zinc/18/99/10/304189910.db2.gz WRIIWTSZRGBHEK-QGZVFWFLSA-N 1 3 346.475 1.676 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415318082 304193410 /nfs/dbraw/zinc/19/34/10/304193410.db2.gz QFZUMUWPDWLPNV-MRXNPFEDSA-N 1 3 332.448 1.335 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000415352627 304201377 /nfs/dbraw/zinc/20/13/77/304201377.db2.gz BOLRBWSNNHZXKC-INIZCTEOSA-N 1 3 344.459 1.418 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)c(OC)c2)[C@@H](C)C1 ZINC000247183467 139139464 /nfs/dbraw/zinc/13/94/64/139139464.db2.gz SDGRQOWKQRGZFE-ZFWWWQNUSA-N 1 3 335.448 1.379 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000568512800 306483408 /nfs/dbraw/zinc/48/34/08/306483408.db2.gz LKRPJYVKOYDOQK-PKOBYXMFSA-N 1 3 336.524 1.380 20 0 EDADHO CNc1cc(N2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ncn1 ZINC000249042505 139183794 /nfs/dbraw/zinc/18/37/94/139183794.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 1 3 330.480 1.702 20 0 EDADHO CNc1cc(N2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000249042505 139183795 /nfs/dbraw/zinc/18/37/95/139183795.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 1 3 330.480 1.702 20 0 EDADHO CNc1cc(N2CCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncn1 ZINC000249042505 139183796 /nfs/dbraw/zinc/18/37/96/139183796.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 1 3 330.480 1.702 20 0 EDADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000261613110 139211144 /nfs/dbraw/zinc/21/11/44/139211144.db2.gz FBCVGSBABUIVDR-JTDSTZFVSA-N 1 3 337.508 1.850 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261641664 139213640 /nfs/dbraw/zinc/21/36/40/139213640.db2.gz CRWCBCGJFUKHPQ-SJLPKXTDSA-N 1 3 333.476 1.661 20 0 EDADHO N[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261738127 139222126 /nfs/dbraw/zinc/22/21/26/139222126.db2.gz DFALLYXPICBNPO-IBGZPJMESA-N 1 3 345.487 1.769 20 0 EDADHO [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCOCC1 ZINC000261774399 139224990 /nfs/dbraw/zinc/22/49/90/139224990.db2.gz MPTZPTVSBDLZRI-ZWKOTPCHSA-N 1 3 331.460 1.694 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415491058 304224867 /nfs/dbraw/zinc/22/48/67/304224867.db2.gz DCALLBHARPXIBP-MRXNPFEDSA-N 1 3 334.464 1.629 20 0 EDADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)NC[C@@H](C)C[NH3+] ZINC000414881425 250877254 /nfs/dbraw/zinc/87/72/54/250877254.db2.gz SFPAXHUNYCSOEP-QWHCGFSZSA-N 1 3 332.448 1.937 20 0 EDADHO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)CN ZINC000414881425 250877259 /nfs/dbraw/zinc/87/72/59/250877259.db2.gz SFPAXHUNYCSOEP-QWHCGFSZSA-N 1 3 332.448 1.937 20 0 EDADHO CN1CCN(CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1(C)C ZINC000415951646 251038953 /nfs/dbraw/zinc/03/89/53/251038953.db2.gz ZWVUNUARSANAKZ-UHFFFAOYSA-N 1 3 349.479 1.172 20 0 EDADHO CC[C@H](CNC(=O)N1CCC([NH3+])CC1)N1CCc2ccccc2C1 ZINC000417006466 251129141 /nfs/dbraw/zinc/12/91/41/251129141.db2.gz FZKOVDCPBUBODP-GOSISDBHSA-N 1 3 330.476 1.956 20 0 EDADHO CC(C)(C[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417584064 251197386 /nfs/dbraw/zinc/19/73/86/251197386.db2.gz MWJCUDYAWREIDN-UHFFFAOYSA-N 1 3 340.512 1.837 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827081 251286039 /nfs/dbraw/zinc/28/60/39/251286039.db2.gz FGMMDQRHGXAHCQ-FRQCXROJSA-N 1 3 333.476 1.898 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000417991803 251318552 /nfs/dbraw/zinc/31/85/52/251318552.db2.gz LQCLHCHXZJGTQT-ROUUACIJSA-N 1 3 346.475 1.147 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132193 251338926 /nfs/dbraw/zinc/33/89/26/251338926.db2.gz DRHKMRUYFAZKBA-MSOLQXFVSA-N 1 3 330.476 1.948 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418163734 251350213 /nfs/dbraw/zinc/35/02/13/251350213.db2.gz HQCWBDMYBXKVOT-YHUYYLMFSA-N 1 3 334.464 1.960 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000418192898 251353804 /nfs/dbraw/zinc/35/38/04/251353804.db2.gz ZEDHPODBVPPZMJ-HHXXYDBFSA-N 1 3 348.491 1.746 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418385278 251363250 /nfs/dbraw/zinc/36/32/50/251363250.db2.gz PDBWNPDCBLWANS-CQSZACIVSA-N 1 3 326.391 1.400 20 0 EDADHO N[C@@H]1C[C@@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)c2ccccc21 ZINC000422896402 252015455 /nfs/dbraw/zinc/01/54/55/252015455.db2.gz AAROQXMSHFOJOK-KZNAEPCWSA-N 1 3 333.501 1.929 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000423783173 252071916 /nfs/dbraw/zinc/07/19/16/252071916.db2.gz JPVCJUHWZYIYMA-UHFFFAOYSA-N 1 3 330.436 1.639 20 0 EDADHO C[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(C)CC1 ZINC000423357498 252052389 /nfs/dbraw/zinc/05/23/89/252052389.db2.gz MCXPWOKTHCEERK-NVXWUHKLSA-N 1 3 333.480 1.658 20 0 EDADHO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCCN(C2CCCC2)CC1 ZINC000423357745 252052471 /nfs/dbraw/zinc/05/24/71/252052471.db2.gz ANJGQHSDKJHUAP-OAHLLOKOSA-N 1 3 345.491 1.967 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356432 252053007 /nfs/dbraw/zinc/05/30/07/252053007.db2.gz GSRFKQQDKTWPBF-ZBFHGGJFSA-N 1 3 342.447 1.192 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000424438003 252232037 /nfs/dbraw/zinc/23/20/37/252232037.db2.gz KFGDEAVAFUMUFH-MRXNPFEDSA-N 1 3 334.464 1.485 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000426155751 252318057 /nfs/dbraw/zinc/31/80/57/252318057.db2.gz ANBZNMCXQVTQMH-UHFFFAOYSA-N 1 3 338.540 1.594 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415753766 304265901 /nfs/dbraw/zinc/26/59/01/304265901.db2.gz GUFIGUZYVVRADD-UHFFFAOYSA-N 1 3 336.484 1.818 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179063 255027815 /nfs/dbraw/zinc/02/78/15/255027815.db2.gz CQDFHWMKDJPVFV-MAUKXSAKSA-N 1 3 330.476 1.965 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179063 255027817 /nfs/dbraw/zinc/02/78/17/255027817.db2.gz CQDFHWMKDJPVFV-MAUKXSAKSA-N 1 3 330.476 1.965 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)COC ZINC000341164488 285244230 /nfs/dbraw/zinc/24/42/30/285244230.db2.gz NHDCLZASKYFMFK-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](C)COC ZINC000341164488 285244231 /nfs/dbraw/zinc/24/42/31/285244231.db2.gz NHDCLZASKYFMFK-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000341134428 285278344 /nfs/dbraw/zinc/27/83/44/285278344.db2.gz UKLOBUHWMNQTCW-WMZOPIPTSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000341134428 285278347 /nfs/dbraw/zinc/27/83/47/285278347.db2.gz UKLOBUHWMNQTCW-WMZOPIPTSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCOC ZINC000341054158 285278448 /nfs/dbraw/zinc/27/84/48/285278448.db2.gz NKKJIWKISQBULK-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCOC ZINC000341054158 285278451 /nfs/dbraw/zinc/27/84/51/285278451.db2.gz NKKJIWKISQBULK-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340169 285280574 /nfs/dbraw/zinc/28/05/74/285280574.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340169 285280577 /nfs/dbraw/zinc/28/05/77/285280577.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 1 3 347.507 1.320 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415887053 304284459 /nfs/dbraw/zinc/28/44/59/304284459.db2.gz WFUPNWDUKGTFBS-KRWDZBQOSA-N 1 3 334.464 1.811 20 0 EDADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271744709 140343155 /nfs/dbraw/zinc/34/31/55/140343155.db2.gz QSDWVIOQRFOJAQ-CYBMUJFWSA-N 1 3 325.478 1.717 20 0 EDADHO CN1CC=C(CNC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000272070409 140395961 /nfs/dbraw/zinc/39/59/61/140395961.db2.gz JKIYWQTVIHYZQR-UHFFFAOYSA-N 1 3 346.475 1.688 20 0 EDADHO CCCN1CCC([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000331625932 141058704 /nfs/dbraw/zinc/05/87/04/141058704.db2.gz YNHYEAVRQKJEGH-MRXNPFEDSA-N 1 3 333.480 1.213 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccc(N(C)C)n2)CC[NH2+]CC1 ZINC000423009102 285665191 /nfs/dbraw/zinc/66/51/91/285665191.db2.gz CEIYROGSYMFVOF-AWEZNQCLSA-N 1 3 334.464 1.559 20 0 EDADHO Cn1nnc2cc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc21 ZINC000333140711 141270634 /nfs/dbraw/zinc/27/06/34/141270634.db2.gz KWLVLPAHQHMKOA-PBHICJAKSA-N 1 3 327.432 1.169 20 0 EDADHO C[C@H]1CN(C[C@@H]2CCCN(C(=O)CN)C2)c2cc(F)ccc2C[NH2+]1 ZINC000333203124 141280592 /nfs/dbraw/zinc/28/05/92/141280592.db2.gz YMSQUCWCONLNQV-UONOGXRCSA-N 1 3 334.439 1.321 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387438 141310039 /nfs/dbraw/zinc/31/00/39/141310039.db2.gz OHRUASSEGWOEQU-IBMWRQOZSA-N 1 3 346.519 1.922 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CN1C1CC1 ZINC000333430188 141316480 /nfs/dbraw/zinc/31/64/80/141316480.db2.gz UKSBAQIBJKYGNA-JFOHDYCDSA-N 1 3 336.480 1.149 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333676205 141354897 /nfs/dbraw/zinc/35/48/97/141354897.db2.gz YYTWTOXJOAZRAC-IRXDYDNUSA-N 1 3 343.475 1.549 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)C2)CC1 ZINC000333441748 299664059 /nfs/dbraw/zinc/66/40/59/299664059.db2.gz WFLBGMHWCULLAJ-LSDHHAIUSA-N 1 3 331.464 1.610 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339851169 142177490 /nfs/dbraw/zinc/17/74/90/142177490.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000339851169 142177488 /nfs/dbraw/zinc/17/74/88/142177488.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO CN1CCN(C(=O)CCN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236032 142315649 /nfs/dbraw/zinc/31/56/49/142315649.db2.gz NXVBLURFASMXGK-RTBURBONSA-N 1 3 344.503 1.576 20 0 EDADHO CN1CCN(C(=O)CCN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236032 142315650 /nfs/dbraw/zinc/31/56/50/142315650.db2.gz NXVBLURFASMXGK-RTBURBONSA-N 1 3 344.503 1.576 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)N(C)C1 ZINC000345966763 143152281 /nfs/dbraw/zinc/15/22/81/143152281.db2.gz BWEDFSHXOXDSAN-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000346226963 143180987 /nfs/dbraw/zinc/18/09/87/143180987.db2.gz PPQUXNRHHHRSQY-KRWDZBQOSA-N 1 3 332.492 1.655 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCSCC2)[C@H](C)C1 ZINC000346620966 143222987 /nfs/dbraw/zinc/22/29/87/143222987.db2.gz RVAYAVPRDOIWKM-IAGOWNOFSA-N 1 3 329.554 1.762 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCSCC2)[C@H](C)C1 ZINC000346620966 143222988 /nfs/dbraw/zinc/22/29/88/143222988.db2.gz RVAYAVPRDOIWKM-IAGOWNOFSA-N 1 3 329.554 1.762 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000417674350 286060588 /nfs/dbraw/zinc/06/05/88/286060588.db2.gz ZBWKMNZDZJQAEK-NCOADZHNSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000417674350 286060589 /nfs/dbraw/zinc/06/05/89/286060589.db2.gz ZBWKMNZDZJQAEK-NCOADZHNSA-N 1 3 340.512 1.515 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416856045 304352078 /nfs/dbraw/zinc/35/20/78/304352078.db2.gz QRDUAUPGTLSVQF-SJLPKXTDSA-N 1 3 346.475 1.883 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987905 286092978 /nfs/dbraw/zinc/09/29/78/286092978.db2.gz FDMHNPGMGBBNIZ-ROUUACIJSA-N 1 3 335.492 1.573 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333772915 286093484 /nfs/dbraw/zinc/09/34/84/286093484.db2.gz CILBRQQVIHETEI-LTIDMASMSA-N 1 3 338.496 1.399 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000416972799 304358071 /nfs/dbraw/zinc/35/80/71/304358071.db2.gz HGHPPIOSGVVROI-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416976761 304359268 /nfs/dbraw/zinc/35/92/68/304359268.db2.gz RXCXEAGQQVWXOO-QGZVFWFLSA-N 1 3 348.491 1.768 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000416977018 304359791 /nfs/dbraw/zinc/35/97/91/304359791.db2.gz PBCIOVSLAJTOJY-HDICACEKSA-N 1 3 342.487 1.820 20 0 EDADHO COCC1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261565392 292218952 /nfs/dbraw/zinc/21/89/52/292218952.db2.gz YHVGPIBMXZYGHQ-INIZCTEOSA-N 1 3 333.476 1.639 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000417031063 304363010 /nfs/dbraw/zinc/36/30/10/304363010.db2.gz QGMFPTSBKHLRIT-IRXDYDNUSA-N 1 3 332.448 1.193 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417045994 304366335 /nfs/dbraw/zinc/36/63/35/304366335.db2.gz YZHCQZLWKVYOIF-OAHLLOKOSA-N 1 3 326.485 1.400 20 0 EDADHO CSC1(CNC(=O)NC2CCN(C3CC3)CC2)CC[NH+](C)CC1 ZINC000357637494 151095327 /nfs/dbraw/zinc/09/53/27/151095327.db2.gz JLNQWALGQLLGCF-UHFFFAOYSA-N 1 3 340.537 1.740 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357784585 151150936 /nfs/dbraw/zinc/15/09/36/151150936.db2.gz VOJRWOANTSGULT-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCOC1 ZINC000358048778 151247458 /nfs/dbraw/zinc/24/74/58/151247458.db2.gz QJCZHRVXOIBEGK-ZWKOTPCHSA-N 1 3 333.476 1.883 20 0 EDADHO [NH3+]CCN(CC(=O)NC1CCN(C2CC2)CC1)Cc1ccccc1 ZINC000358130484 151283159 /nfs/dbraw/zinc/28/31/59/151283159.db2.gz MEPJNEOHLKVFLC-UHFFFAOYSA-N 1 3 330.476 1.190 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000360849517 152228999 /nfs/dbraw/zinc/22/89/99/152228999.db2.gz MMIDIRPNGMLXOY-IRXDYDNUSA-N 1 3 340.512 1.658 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000361214638 152337179 /nfs/dbraw/zinc/33/71/79/152337179.db2.gz FTGXSXMNJLVOPG-FHWLQOOXSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000361214638 152337180 /nfs/dbraw/zinc/33/71/80/152337180.db2.gz FTGXSXMNJLVOPG-FHWLQOOXSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)CN2CCN(C)CC2)[C@@H](C)C1 ZINC000361214638 152337181 /nfs/dbraw/zinc/33/71/81/152337181.db2.gz FTGXSXMNJLVOPG-FHWLQOOXSA-N 1 3 340.556 1.349 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574152890 306643639 /nfs/dbraw/zinc/64/36/39/306643639.db2.gz DZLPKHHNBHZRJO-MRXNPFEDSA-N 1 3 342.447 1.022 20 0 EDADHO COCC[C@@]1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000370201272 155374582 /nfs/dbraw/zinc/37/45/82/155374582.db2.gz IVHDVZVSJUEZFD-JZXOWHBKSA-N 1 3 341.496 1.008 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000363819954 153065829 /nfs/dbraw/zinc/06/58/29/153065829.db2.gz KFPZBSHSWMIZFC-QRVBRYPASA-N 1 3 344.503 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1)c1ccccc1 ZINC000363819954 153065831 /nfs/dbraw/zinc/06/58/31/153065831.db2.gz KFPZBSHSWMIZFC-QRVBRYPASA-N 1 3 344.503 1.432 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000364160127 153159477 /nfs/dbraw/zinc/15/94/77/153159477.db2.gz IXWBORNAHLTGIY-KRWDZBQOSA-N 1 3 330.476 1.700 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417195655 304383416 /nfs/dbraw/zinc/38/34/16/304383416.db2.gz ODMJDDSMFYCFFW-ICSRJNTNSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000364250335 153186291 /nfs/dbraw/zinc/18/62/91/153186291.db2.gz SXKYKWXKOZROCS-WZDWLKHJSA-N 1 3 337.508 1.842 20 0 EDADHO C[C@@H]1CCCN(C(=O)CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118053 154014092 /nfs/dbraw/zinc/01/40/92/154014092.db2.gz XANZPDIUFZIFFO-AEFFLSMTSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H](NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccc(=O)[nH]n1 ZINC000367608610 154198309 /nfs/dbraw/zinc/19/83/09/154198309.db2.gz SCOHLGWZAFTULA-OAHLLOKOSA-N 1 3 333.480 1.783 20 0 EDADHO COCCN1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417304709 304391926 /nfs/dbraw/zinc/39/19/26/304391926.db2.gz ZUOQABBMJJCUSP-CQSZACIVSA-N 1 3 334.464 1.616 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000417341259 304392703 /nfs/dbraw/zinc/39/27/03/304392703.db2.gz BHEXDPGZETYQMU-GDBMZVCRSA-N 1 3 334.464 1.567 20 0 EDADHO CN(C)CC1(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000373986207 157095309 /nfs/dbraw/zinc/09/53/09/157095309.db2.gz OIEIGNUVSYSJEJ-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204039 158107916 /nfs/dbraw/zinc/10/79/16/158107916.db2.gz KNDWCKAREVVARA-IXDOHACOSA-N 1 3 325.497 1.901 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378247907 158120381 /nfs/dbraw/zinc/12/03/81/158120381.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378247907 158120386 /nfs/dbraw/zinc/12/03/86/158120386.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000378318938 158139308 /nfs/dbraw/zinc/13/93/08/158139308.db2.gz RKTARBUHOUAYRU-GOSISDBHSA-N 1 3 336.524 1.251 20 0 EDADHO CN(C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000576164506 306679692 /nfs/dbraw/zinc/67/96/92/306679692.db2.gz FVHFOCSDZCBNBC-HNNXBMFYSA-N 1 3 332.448 1.097 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754228 286850623 /nfs/dbraw/zinc/85/06/23/286850623.db2.gz NQKMVOWARHEGMI-KFWWJZLASA-N 1 3 346.475 1.566 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000333941982 296828158 /nfs/dbraw/zinc/82/81/58/296828158.db2.gz POWKSLCAGVVKNR-CABCVRRESA-N 1 3 340.537 1.727 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000164416961 226070849 /nfs/dbraw/zinc/07/08/49/226070849.db2.gz HAZKIMCCHJLIHQ-UHFFFAOYSA-N 1 3 342.447 1.194 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000238062625 273014108 /nfs/dbraw/zinc/01/41/08/273014108.db2.gz POILFJIVWNZDJY-MJGOQNOKSA-N 1 3 344.503 1.832 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274489619 268149397 /nfs/dbraw/zinc/14/93/97/268149397.db2.gz DZEASLNBHQKCCT-UHFFFAOYSA-N 1 3 348.491 1.863 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000279496749 273302552 /nfs/dbraw/zinc/30/25/52/273302552.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 1 3 345.487 1.252 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC[N@H+]1C ZINC000279496749 273302554 /nfs/dbraw/zinc/30/25/54/273302554.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 1 3 345.487 1.252 20 0 EDADHO C[C@@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000285779909 274647265 /nfs/dbraw/zinc/64/72/65/274647265.db2.gz NAVMOXNJUODODP-ZDUSSCGKSA-N 1 3 339.867 1.894 20 0 EDADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000362564189 275011278 /nfs/dbraw/zinc/01/12/78/275011278.db2.gz IKOZXONMHMUQOK-CQSZACIVSA-N 1 3 331.464 1.577 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237191881 277025375 /nfs/dbraw/zinc/02/53/75/277025375.db2.gz VLPGRXUMEUVHDM-QGZVFWFLSA-N 1 3 332.492 1.166 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439404 288162608 /nfs/dbraw/zinc/16/26/08/288162608.db2.gz UKHWNWIDXSKQSF-SJORKVTESA-N 1 3 338.496 1.367 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Cn3cc(Cl)cn3)CC2)CC1 ZINC000287183407 288175489 /nfs/dbraw/zinc/17/54/89/288175489.db2.gz BBHRKPAIFWPZLR-UHFFFAOYSA-N 1 3 339.871 1.211 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)c1 ZINC000288175961 288423183 /nfs/dbraw/zinc/42/31/83/288423183.db2.gz OAKRUJGIQMAAKL-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000290064288 288831954 /nfs/dbraw/zinc/83/19/54/288831954.db2.gz FTQVTNWDOCWUIS-QZTJIDSGSA-N 1 3 333.476 1.877 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119465 /nfs/dbraw/zinc/11/94/65/289119465.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 1 3 342.487 1.998 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119467 /nfs/dbraw/zinc/11/94/67/289119467.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 1 3 342.487 1.998 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291872540 289202572 /nfs/dbraw/zinc/20/25/72/289202572.db2.gz IMSPHGANCSOMEV-ICSRJNTNSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291872540 289202574 /nfs/dbraw/zinc/20/25/74/289202574.db2.gz IMSPHGANCSOMEV-ICSRJNTNSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)CC2CC[NH+](C)CC2)ccn1 ZINC000292050661 289249015 /nfs/dbraw/zinc/24/90/15/289249015.db2.gz FJHQUBIARKGHKP-UHFFFAOYSA-N 1 3 334.464 1.370 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)N1CCCCCC1 ZINC000366414232 289292360 /nfs/dbraw/zinc/29/23/60/289292360.db2.gz MYBHLWOPNFGSIF-BRSBDYLESA-N 1 3 337.508 1.961 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000354556544 289517168 /nfs/dbraw/zinc/51/71/68/289517168.db2.gz SYEHGXFCQWMMJR-KBMXLJTQSA-N 1 3 326.485 1.004 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000261761192 295271956 /nfs/dbraw/zinc/27/19/56/295271956.db2.gz NOYORVLHPUJZFC-IEBWSBKVSA-N 1 3 345.487 1.635 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN(C)CC1 ZINC000418196831 295577341 /nfs/dbraw/zinc/57/73/41/295577341.db2.gz IIYVRZLIGGXOOK-ZIAGYGMSSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418654698 304526201 /nfs/dbraw/zinc/52/62/01/304526201.db2.gz BEWFWLUNQBLVIN-ZWKOTPCHSA-N 1 3 345.491 1.543 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639164 447311640 /nfs/dbraw/zinc/31/16/40/447311640.db2.gz CDGSLKCRDNPOHW-ZBFHGGJFSA-N 1 3 346.475 1.100 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419983172 304720895 /nfs/dbraw/zinc/72/08/95/304720895.db2.gz BUJHJIKDPXGMIT-JKSUJKDBSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653469 447322924 /nfs/dbraw/zinc/32/29/24/447322924.db2.gz QVIFCUFSYLEUGW-CJNGLKHVSA-N 1 3 346.475 1.086 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000295210755 303189095 /nfs/dbraw/zinc/18/90/95/303189095.db2.gz PYPOADUFWXQZCI-UKRRQHHQSA-N 1 3 344.459 1.463 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000295210755 303189098 /nfs/dbraw/zinc/18/90/98/303189098.db2.gz PYPOADUFWXQZCI-UKRRQHHQSA-N 1 3 344.459 1.463 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057173 303390092 /nfs/dbraw/zinc/39/00/92/303390092.db2.gz FUABROYVTSBALF-MRXNPFEDSA-N 1 3 325.497 1.903 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)c1 ZINC000414860453 447331919 /nfs/dbraw/zinc/33/19/19/447331919.db2.gz VLRQPBRCVGPEPN-HUUCEWRRSA-N 1 3 346.475 1.724 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020579 304883220 /nfs/dbraw/zinc/88/32/20/304883220.db2.gz CBBHELGXBMYXHO-ABAIWWIYSA-N 1 3 343.830 1.928 20 0 EDADHO COc1ccc(CCNC(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430633856 305060430 /nfs/dbraw/zinc/06/04/30/305060430.db2.gz CHTGLDCPESDRPM-CQSZACIVSA-N 1 3 349.475 1.422 20 0 EDADHO C[NH2+][C@@H]1CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000430655123 305061688 /nfs/dbraw/zinc/06/16/88/305061688.db2.gz RDDLFXXQRALKAJ-LJQANCHMSA-N 1 3 344.503 1.323 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCC[NH2+]CC1 ZINC000430921485 305068286 /nfs/dbraw/zinc/06/82/86/305068286.db2.gz UBEXUZMBKKYUSQ-QGZVFWFLSA-N 1 3 344.503 1.451 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC000433204150 305103005 /nfs/dbraw/zinc/10/30/05/305103005.db2.gz FDECNRNQMDSSPH-XLIONFOSSA-N 1 3 347.503 1.848 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290074 305105214 /nfs/dbraw/zinc/10/52/14/305105214.db2.gz RNKYMSPUBDQYFI-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433328575 305105843 /nfs/dbraw/zinc/10/58/43/305105843.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433328575 305105844 /nfs/dbraw/zinc/10/58/44/305105844.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H]1CN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457013 305109678 /nfs/dbraw/zinc/10/96/78/305109678.db2.gz OBTXMONPLAIKHA-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO CCNC(=O)COc1ccc(CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442923164 305231247 /nfs/dbraw/zinc/23/12/47/305231247.db2.gz PZTDAOIDMGEBPV-OAHLLOKOSA-N 1 3 349.475 1.771 20 0 EDADHO CCNC(=O)COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442923163 305231273 /nfs/dbraw/zinc/23/12/73/305231273.db2.gz PZTDAOIDMGEBPV-HNNXBMFYSA-N 1 3 349.475 1.771 20 0 EDADHO CCN(Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712380 305317748 /nfs/dbraw/zinc/31/77/48/305317748.db2.gz RKTOQKFYALBKMH-GOSISDBHSA-N 1 3 331.460 1.779 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCN1CCCO ZINC000452346232 305390885 /nfs/dbraw/zinc/39/08/85/305390885.db2.gz GOQONOMILHNVCZ-MRXNPFEDSA-N 1 3 349.475 1.204 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000452385962 305396472 /nfs/dbraw/zinc/39/64/72/305396472.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000452385962 305396473 /nfs/dbraw/zinc/39/64/73/305396473.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 1 3 337.508 1.604 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422120985 447359049 /nfs/dbraw/zinc/35/90/49/447359049.db2.gz QQQHYRSHJITONL-INIZCTEOSA-N 1 3 340.512 1.119 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCOC[C@@H]3CCCO3)CC2)CC1 ZINC000544488277 306075391 /nfs/dbraw/zinc/07/53/91/306075391.db2.gz DBLRTLFOBFCQMP-SFHVURJKSA-N 1 3 339.524 1.532 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548459729 306128450 /nfs/dbraw/zinc/12/84/50/306128450.db2.gz KHSXWSANEQEWHL-IRXDYDNUSA-N 1 3 338.540 1.780 20 0 EDADHO CNC(=O)COc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040888 306174375 /nfs/dbraw/zinc/17/43/75/306174375.db2.gz FUWXGODZGRZYHJ-KZNAEPCWSA-N 1 3 331.460 1.774 20 0 EDADHO CNC(=O)COc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040888 306174376 /nfs/dbraw/zinc/17/43/76/306174376.db2.gz FUWXGODZGRZYHJ-KZNAEPCWSA-N 1 3 331.460 1.774 20 0 EDADHO CNC(=O)COc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040888 306174377 /nfs/dbraw/zinc/17/43/77/306174377.db2.gz FUWXGODZGRZYHJ-KZNAEPCWSA-N 1 3 331.460 1.774 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000552178505 306177038 /nfs/dbraw/zinc/17/70/38/306177038.db2.gz ZNOGMFPCTUBNJV-NVXWUHKLSA-N 1 3 325.497 1.602 20 0 EDADHO CCNc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(NC(C)(C)C)n1 ZINC000553311764 306183889 /nfs/dbraw/zinc/18/38/89/306183889.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 1 3 333.484 1.254 20 0 EDADHO CCNc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(NC(C)(C)C)n1 ZINC000553311764 306183890 /nfs/dbraw/zinc/18/38/90/306183890.db2.gz KKQJDOYNODJWSS-GFCCVEGCSA-N 1 3 333.484 1.254 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000557133925 306224721 /nfs/dbraw/zinc/22/47/21/306224721.db2.gz GWGJEBKWPIAMQV-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414951765 447370300 /nfs/dbraw/zinc/37/03/00/447370300.db2.gz QBTHOXZNQYVSPU-ZBFHGGJFSA-N 1 3 330.432 1.217 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000458444251 447371668 /nfs/dbraw/zinc/37/16/68/447371668.db2.gz BDNYRITZSUYUTG-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956748 447373665 /nfs/dbraw/zinc/37/36/65/447373665.db2.gz VPEAZDXOENCVKC-XEZPLFJOSA-N 1 3 333.432 1.920 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC000414956748 447373671 /nfs/dbraw/zinc/37/36/71/447373671.db2.gz VPEAZDXOENCVKC-XEZPLFJOSA-N 1 3 333.432 1.920 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000458453130 447375611 /nfs/dbraw/zinc/37/56/11/447375611.db2.gz ISZSOONODLUBMH-KRWDZBQOSA-N 1 3 340.512 1.254 20 0 EDADHO [NH3+]CC[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(F)F ZINC000449625593 447379578 /nfs/dbraw/zinc/37/95/78/447379578.db2.gz OVEUUBMFCLFKTP-HNNXBMFYSA-N 1 3 325.403 1.997 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCc3ccccc3OC2)C1 ZINC000493974591 447421387 /nfs/dbraw/zinc/42/13/87/447421387.db2.gz BWIGSFUWGWFKFK-SJORKVTESA-N 1 3 331.460 1.557 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCc3ccccc3OC2)C1 ZINC000493974591 447421390 /nfs/dbraw/zinc/42/13/90/447421390.db2.gz BWIGSFUWGWFKFK-SJORKVTESA-N 1 3 331.460 1.557 20 0 EDADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC[C@H](C)C1 ZINC000419806241 447425283 /nfs/dbraw/zinc/42/52/83/447425283.db2.gz RCZDFCAKKYGEKU-LSDHHAIUSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C[C@H]1CCCO1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000102905279 441173253 /nfs/dbraw/zinc/17/32/53/441173253.db2.gz SOXIGVKHPXPMJW-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO Cc1nn(CC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)c1Cl ZINC000103213183 441178274 /nfs/dbraw/zinc/17/82/74/441178274.db2.gz YUYGRZAADZFUDN-UHFFFAOYSA-N 1 3 329.876 1.105 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@H+](C)C1CC1 ZINC000105082523 441231101 /nfs/dbraw/zinc/23/11/01/441231101.db2.gz LRJQJNHEELFCRF-CRAIPNDOSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)[N@@H+](C)C1CC1 ZINC000105082523 441231106 /nfs/dbraw/zinc/23/11/06/441231106.db2.gz LRJQJNHEELFCRF-CRAIPNDOSA-N 1 3 332.492 1.941 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000104782843 441208561 /nfs/dbraw/zinc/20/85/61/441208561.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000104782843 441208563 /nfs/dbraw/zinc/20/85/63/441208563.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425798 441439342 /nfs/dbraw/zinc/43/93/42/441439342.db2.gz QHOSLFOXAAILBF-HOTGVXAUSA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074181148 441403706 /nfs/dbraw/zinc/40/37/06/441403706.db2.gz YHWSHTQMDBFUSC-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000074181148 441403710 /nfs/dbraw/zinc/40/37/10/441403710.db2.gz YHWSHTQMDBFUSC-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N(C)C2)CC1 ZINC000088698053 441517169 /nfs/dbraw/zinc/51/71/69/441517169.db2.gz OJDJYMZJWXLWHZ-QGZVFWFLSA-N 1 3 330.476 1.539 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC3(CO)COC3)CC2)C[C@@H](C)O1 ZINC000089140390 441527365 /nfs/dbraw/zinc/52/73/65/441527365.db2.gz AOQXJNOBHNAEOL-HZPDHXFCSA-N 1 3 326.481 1.207 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000415439065 447441169 /nfs/dbraw/zinc/44/11/69/447441169.db2.gz CFHHPISJJNPCFG-HUUCEWRRSA-N 1 3 332.448 1.239 20 0 EDADHO CS(=O)(=O)N1CC[C@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000090797247 441644086 /nfs/dbraw/zinc/64/40/86/441644086.db2.gz QHOZCMXYSFFCIJ-OAHLLOKOSA-N 1 3 343.537 1.655 20 0 EDADHO Cc1cc2ncn(C[C@H](O)CN3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000113513426 441613048 /nfs/dbraw/zinc/61/30/48/441613048.db2.gz YPCGIEMWRVFKBW-IAGOWNOFSA-N 1 3 330.476 1.898 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000137515393 441772062 /nfs/dbraw/zinc/77/20/62/441772062.db2.gz CYGYNNNWYWKOMJ-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CC1CCN(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000137515393 441772066 /nfs/dbraw/zinc/77/20/66/441772066.db2.gz CYGYNNNWYWKOMJ-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000121764170 441775952 /nfs/dbraw/zinc/77/59/52/441775952.db2.gz NYYCINJURCENJF-MJGOQNOKSA-N 1 3 348.491 1.435 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115825989 441780248 /nfs/dbraw/zinc/78/02/48/441780248.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115825989 441780255 /nfs/dbraw/zinc/78/02/55/441780255.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077574190 441808669 /nfs/dbraw/zinc/80/86/69/441808669.db2.gz UXHXSYLTTSAONN-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2cccn2)c1 ZINC000116752625 441839235 /nfs/dbraw/zinc/83/92/35/441839235.db2.gz HXMLSWPCNSOEDG-UHFFFAOYSA-N 1 3 329.448 1.438 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000174201917 441902121 /nfs/dbraw/zinc/90/21/21/441902121.db2.gz GVAAWWIGKUMCOC-MOPGFXCFSA-N 1 3 342.487 1.815 20 0 EDADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000174201956 441902370 /nfs/dbraw/zinc/90/23/70/441902370.db2.gz GVAAWWIGKUMCOC-RBUKOAKNSA-N 1 3 342.487 1.815 20 0 EDADHO CCOCCCNC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000119091409 441916197 /nfs/dbraw/zinc/91/61/97/441916197.db2.gz IGGSQQNRIJXNJD-KRWDZBQOSA-N 1 3 325.497 1.726 20 0 EDADHO CNC(=O)NC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174396303 441921335 /nfs/dbraw/zinc/92/13/35/441921335.db2.gz VIAPGEAITHTPMW-INIZCTEOSA-N 1 3 332.448 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174396303 441921342 /nfs/dbraw/zinc/92/13/42/441921342.db2.gz VIAPGEAITHTPMW-INIZCTEOSA-N 1 3 332.448 1.286 20 0 EDADHO CC(C)[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000119891791 441970754 /nfs/dbraw/zinc/97/07/54/441970754.db2.gz FZSXCBQKBXYSBQ-ROUUACIJSA-N 1 3 333.476 1.108 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000175558487 442085642 /nfs/dbraw/zinc/08/56/42/442085642.db2.gz GBXXUGKUEGNGBI-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000175558487 442085645 /nfs/dbraw/zinc/08/56/45/442085645.db2.gz GBXXUGKUEGNGBI-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CC[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000126413102 442109745 /nfs/dbraw/zinc/10/97/45/442109745.db2.gz LZLRHSHGYWHPEX-GOSISDBHSA-N 1 3 332.492 1.390 20 0 EDADHO COc1ccc2c(c1)C=C(C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000152097960 442164954 /nfs/dbraw/zinc/16/49/54/442164954.db2.gz CNYZXIRZUYRPSF-UHFFFAOYSA-N 1 3 347.459 1.423 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651775 442280222 /nfs/dbraw/zinc/28/02/22/442280222.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 1 3 345.491 1.193 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651775 442280224 /nfs/dbraw/zinc/28/02/24/442280224.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 1 3 345.491 1.193 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000129014446 442298309 /nfs/dbraw/zinc/29/83/09/442298309.db2.gz VIKFAKAHFJQLMA-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000129014446 442298312 /nfs/dbraw/zinc/29/83/12/442298312.db2.gz VIKFAKAHFJQLMA-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200562 442326794 /nfs/dbraw/zinc/32/67/94/442326794.db2.gz BBOLIOVMJVNZME-WBVHZDCISA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H](C(=O)NC1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377301 442334158 /nfs/dbraw/zinc/33/41/58/442334158.db2.gz YYMZXAONROKJFI-INIZCTEOSA-N 1 3 338.540 1.782 20 0 EDADHO COCCN(C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131699925 442378035 /nfs/dbraw/zinc/37/80/35/442378035.db2.gz QLNMRMPMMLZEBU-SJLPKXTDSA-N 1 3 342.528 1.764 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154765517 442356085 /nfs/dbraw/zinc/35/60/85/442356085.db2.gz RJCZPADFCTWFPW-ZWKOTPCHSA-N 1 3 335.492 1.717 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000155653658 442416535 /nfs/dbraw/zinc/41/65/35/442416535.db2.gz HCPLYCYNPIFTBH-DYVFJYSZSA-N 1 3 337.464 1.625 20 0 EDADHO [NH3+][C@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000157883513 442623709 /nfs/dbraw/zinc/62/37/09/442623709.db2.gz HFNQNAMVXMQBTI-KRWDZBQOSA-N 1 3 330.476 1.539 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCOCC3(CCOCC3)C2)CC1 ZINC000192795273 442687089 /nfs/dbraw/zinc/68/70/89/442687089.db2.gz SKOZSDDRHYAPGG-UHFFFAOYSA-N 1 3 339.524 1.532 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCOCC3(CCOCC3)C2)CC1 ZINC000192795273 442687092 /nfs/dbraw/zinc/68/70/92/442687092.db2.gz SKOZSDDRHYAPGG-UHFFFAOYSA-N 1 3 339.524 1.532 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)SC ZINC000246556319 442793151 /nfs/dbraw/zinc/79/31/51/442793151.db2.gz LLFDZCYKOLMERI-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](C)SC ZINC000246556319 442793155 /nfs/dbraw/zinc/79/31/55/442793155.db2.gz LLFDZCYKOLMERI-GJZGRUSLSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000246672765 442800826 /nfs/dbraw/zinc/80/08/26/442800826.db2.gz GKNFLZXXIYLSJW-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000246672765 442800829 /nfs/dbraw/zinc/80/08/29/442800829.db2.gz GKNFLZXXIYLSJW-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H]1C[NH+](CCC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@H](C)O1 ZINC000188790968 442814366 /nfs/dbraw/zinc/81/43/66/442814366.db2.gz AIRIGJRQTRCOFR-NXNVCVFFSA-N 1 3 341.471 1.424 20 0 EDADHO C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000268740539 443094425 /nfs/dbraw/zinc/09/44/25/443094425.db2.gz FVUSCVMVJOJMTL-LSDHHAIUSA-N 1 3 340.489 1.712 20 0 EDADHO C[C@@H]1CC[C@H](CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590065 443143495 /nfs/dbraw/zinc/14/34/95/443143495.db2.gz JNKCFZHFDYJAJQ-NVXWUHKLSA-N 1 3 339.524 1.970 20 0 EDADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)N(C)C ZINC000299028972 318868808 /nfs/dbraw/zinc/86/88/08/318868808.db2.gz SZRDNFJEAGEILR-SFHVURJKSA-N 1 3 332.492 1.887 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000185303870 443179770 /nfs/dbraw/zinc/17/97/70/443179770.db2.gz INANFKSARADLML-IAGOWNOFSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCN1C ZINC000269055315 443184809 /nfs/dbraw/zinc/18/48/09/443184809.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 1 3 331.504 1.942 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3CNCCO3)c2)CC1 ZINC000269236686 443244696 /nfs/dbraw/zinc/24/46/96/443244696.db2.gz HFNYMJPERPXAMU-LJQANCHMSA-N 1 3 345.487 1.913 20 0 EDADHO COC(=O)Cn1cc(CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000185716050 443243152 /nfs/dbraw/zinc/24/31/52/443243152.db2.gz WWYMCDQFTCTIOC-HUUCEWRRSA-N 1 3 349.479 1.236 20 0 EDADHO COC(=O)Cn1cc(CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000185716050 443243158 /nfs/dbraw/zinc/24/31/58/443243158.db2.gz WWYMCDQFTCTIOC-HUUCEWRRSA-N 1 3 349.479 1.236 20 0 EDADHO COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)nn1 ZINC000185716050 443243162 /nfs/dbraw/zinc/24/31/62/443243162.db2.gz WWYMCDQFTCTIOC-HUUCEWRRSA-N 1 3 349.479 1.236 20 0 EDADHO CCOC(=O)C[C@@](C)(NCC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000411560092 319185020 /nfs/dbraw/zinc/18/50/20/319185020.db2.gz OKJBRNLGTNOIBQ-GOSISDBHSA-N 1 3 341.496 1.544 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000414670235 319338785 /nfs/dbraw/zinc/33/87/85/319338785.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000414670235 319338789 /nfs/dbraw/zinc/33/87/89/319338789.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C(C)C ZINC000414671109 319339445 /nfs/dbraw/zinc/33/94/45/319339445.db2.gz LYDASAKSOXTNTH-UHFFFAOYSA-N 1 3 332.448 1.463 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414691735 319343261 /nfs/dbraw/zinc/34/32/61/319343261.db2.gz AJQDUUJKTPTRLN-CYBMUJFWSA-N 1 3 330.432 1.219 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996179 319388284 /nfs/dbraw/zinc/38/82/84/319388284.db2.gz OMKIYLGRRRDHKU-KGLIPLIRSA-N 1 3 346.397 1.738 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000269361208 443293541 /nfs/dbraw/zinc/29/35/41/443293541.db2.gz SOKPTWDEHZTDJT-LJQANCHMSA-N 1 3 333.476 1.675 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000185822661 443263943 /nfs/dbraw/zinc/26/39/43/443263943.db2.gz KOLPCAIIMIEZSI-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000185822095 443264141 /nfs/dbraw/zinc/26/41/41/443264141.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000185822095 443264145 /nfs/dbraw/zinc/26/41/45/443264145.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C[C@H]1C[NH3+] ZINC000417369397 319495007 /nfs/dbraw/zinc/49/50/07/319495007.db2.gz SBXNBBPXULCKLA-NVXWUHKLSA-N 1 3 348.491 1.753 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000418447226 319501297 /nfs/dbraw/zinc/50/12/97/319501297.db2.gz QEIDYBRQBCOBIG-DOTOQJQBSA-N 1 3 336.480 1.971 20 0 EDADHO C[C@H]1C[N@H+](CCCNCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278454314 443336740 /nfs/dbraw/zinc/33/67/40/443336740.db2.gz YODLGOQYSPNZCA-HNNXBMFYSA-N 1 3 345.443 1.373 20 0 EDADHO C[C@H]1C[N@@H+](CCCNCCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278454314 443336741 /nfs/dbraw/zinc/33/67/41/443336741.db2.gz YODLGOQYSPNZCA-HNNXBMFYSA-N 1 3 345.443 1.373 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cn3ccsc3n2)CC[NH2+]CC1 ZINC000422699432 319733010 /nfs/dbraw/zinc/73/30/10/319733010.db2.gz DHJGHSZQASKDAN-LBPRGKRZSA-N 1 3 336.461 1.807 20 0 EDADHO C[C@H](CCC[NH3+])NCc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000422700793 319733369 /nfs/dbraw/zinc/73/33/69/319733369.db2.gz CHKAMIVSHQEJKA-CYBMUJFWSA-N 1 3 327.494 1.980 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000279200257 443533164 /nfs/dbraw/zinc/53/31/64/443533164.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000279200257 443533167 /nfs/dbraw/zinc/53/31/67/443533167.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 1 3 345.487 1.600 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000423749830 319810256 /nfs/dbraw/zinc/81/02/56/319810256.db2.gz CIHUWCCOOVZEDO-GOSISDBHSA-N 1 3 345.487 1.631 20 0 EDADHO CN(C)[C@]1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CCSC1 ZINC000457610867 320330964 /nfs/dbraw/zinc/33/09/64/320330964.db2.gz JGNZVFJQGHAAQK-KRWDZBQOSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724543 320333623 /nfs/dbraw/zinc/33/36/23/320333623.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724543 320333624 /nfs/dbraw/zinc/33/36/24/320333624.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000471647701 320353216 /nfs/dbraw/zinc/35/32/16/320353216.db2.gz IDRLXABMMUUKCY-UHFFFAOYSA-N 1 3 348.491 1.482 20 0 EDADHO CN(C[C@@H]1CCOC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000489403765 320359877 /nfs/dbraw/zinc/35/98/77/320359877.db2.gz ZOGJHZYDLISLRU-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1 ZINC000276444048 443707645 /nfs/dbraw/zinc/70/76/45/443707645.db2.gz VQYXNCFUNPZGBU-UHFFFAOYSA-N 1 3 334.464 1.487 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000283806553 443726002 /nfs/dbraw/zinc/72/60/02/443726002.db2.gz WSSKWXSRRPUDAQ-UHFFFAOYSA-N 1 3 348.491 1.213 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000283806553 443726005 /nfs/dbraw/zinc/72/60/05/443726005.db2.gz WSSKWXSRRPUDAQ-UHFFFAOYSA-N 1 3 348.491 1.213 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000288111931 443774601 /nfs/dbraw/zinc/77/46/01/443774601.db2.gz VPBFKADTSFWHDG-CGTJXYLNSA-N 1 3 348.491 1.119 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCN(CC2CCOCC2)CC1 ZINC000529359647 320577283 /nfs/dbraw/zinc/57/72/83/320577283.db2.gz MHTKHZQBFQZKDJ-INIZCTEOSA-N 1 3 336.480 1.025 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 ZINC000276824261 443841532 /nfs/dbraw/zinc/84/15/32/443841532.db2.gz FUBFEISCZJSENX-UHFFFAOYSA-N 1 3 348.491 1.923 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531118696 320649287 /nfs/dbraw/zinc/64/92/87/320649287.db2.gz OZKSUHPSYMKISO-UHFFFAOYSA-N 1 3 332.448 1.137 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000288544737 443913606 /nfs/dbraw/zinc/91/36/06/443913606.db2.gz FNPXGOMBHFHBOV-MRXNPFEDSA-N 1 3 333.432 1.179 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000557241620 321000951 /nfs/dbraw/zinc/00/09/51/321000951.db2.gz WBYYONTXTJSYGL-ARFHVFGLSA-N 1 3 338.496 1.399 20 0 EDADHO CN(C)C1(CNC(=O)NCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000562804070 321077116 /nfs/dbraw/zinc/07/71/16/321077116.db2.gz LQPDGPKSGSTJCO-UHFFFAOYSA-N 1 3 328.460 1.305 20 0 EDADHO C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1CN)C[NH+]1CCCC1 ZINC000563093149 321094741 /nfs/dbraw/zinc/09/47/41/321094741.db2.gz WPDYPQVTYQXOIZ-QAPCUYQASA-N 1 3 330.476 1.986 20 0 EDADHO O=C(CNC1CC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563112452 321097448 /nfs/dbraw/zinc/09/74/48/321097448.db2.gz GIDBQDKNCQXLMT-UHFFFAOYSA-N 1 3 331.464 1.335 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395810 321108247 /nfs/dbraw/zinc/10/82/47/321108247.db2.gz CEOCXWQCIITPHH-KXBFYZLASA-N 1 3 335.492 1.214 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395810 321108249 /nfs/dbraw/zinc/10/82/49/321108249.db2.gz CEOCXWQCIITPHH-KXBFYZLASA-N 1 3 335.492 1.214 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000564733151 321144250 /nfs/dbraw/zinc/14/42/50/321144250.db2.gz UVYLTXFVEJMTTD-FUHWJXTLSA-N 1 3 346.519 1.855 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000564854991 321151652 /nfs/dbraw/zinc/15/16/52/321151652.db2.gz VBDBHZTULBGDHK-ZCNNSNEGSA-N 1 3 348.487 1.532 20 0 EDADHO [NH3+][C@H]1C[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000565308451 321180853 /nfs/dbraw/zinc/18/08/53/321180853.db2.gz VEGQSQADJPZOBO-HDICACEKSA-N 1 3 330.476 1.048 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000567648349 321250611 /nfs/dbraw/zinc/25/06/11/321250611.db2.gz ACXAULAJYXAUKA-HOTGVXAUSA-N 1 3 347.507 1.791 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCC(OC(F)F)CC1 ZINC000568542721 321296380 /nfs/dbraw/zinc/29/63/80/321296380.db2.gz CNQSOEDJIOHXCH-UHFFFAOYSA-N 1 3 335.439 1.736 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568998077 321313974 /nfs/dbraw/zinc/31/39/74/321313974.db2.gz VRDHTMLNGBDQCD-AZUAARDMSA-N 1 3 342.487 1.896 20 0 EDADHO OCCN1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472526 321326751 /nfs/dbraw/zinc/32/67/51/321326751.db2.gz ASDMJMDIONMKDS-KPFFTGBYSA-N 1 3 345.487 1.679 20 0 EDADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1-n1cncn1 ZINC000282314270 444146161 /nfs/dbraw/zinc/14/61/61/444146161.db2.gz KPVYQVFZVZAGJT-UHFFFAOYSA-N 1 3 342.491 1.691 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000576592728 321580081 /nfs/dbraw/zinc/58/00/81/321580081.db2.gz WUBWWZHVFYKGHC-SFHVURJKSA-N 1 3 330.476 1.905 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(O)CCCC3)CC2)CC1 ZINC000303992093 444239272 /nfs/dbraw/zinc/23/92/72/444239272.db2.gz MILMFTWIWAIJNZ-UHFFFAOYSA-N 1 3 338.496 1.149 20 0 EDADHO CS(=O)(=O)N1CCC[C@@H](CN(CCC[NH3+])Cc2ccccc2)C1 ZINC000303989249 444239593 /nfs/dbraw/zinc/23/95/93/444239593.db2.gz REONNULUZPIXQB-KRWDZBQOSA-N 1 3 339.505 1.509 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000304023248 444240781 /nfs/dbraw/zinc/24/07/81/444240781.db2.gz YPIFMIYGKWRZOG-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000304023248 444240783 /nfs/dbraw/zinc/24/07/83/444240783.db2.gz YPIFMIYGKWRZOG-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC000290659106 444307228 /nfs/dbraw/zinc/30/72/28/444307228.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 1 3 334.508 1.631 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H](c1ccccc1)N(C)C ZINC000290659106 444307229 /nfs/dbraw/zinc/30/72/29/444307229.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 1 3 334.508 1.631 20 0 EDADHO CN(C)[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000290659106 444307231 /nfs/dbraw/zinc/30/72/31/444307231.db2.gz OCGKCGMGQCDDNM-SFHVURJKSA-N 1 3 334.508 1.631 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334895 321759433 /nfs/dbraw/zinc/75/94/33/321759433.db2.gz YNWRFVRCNWQLKV-CJNGLKHVSA-N 1 3 328.526 1.501 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000325173382 444362050 /nfs/dbraw/zinc/36/20/50/444362050.db2.gz WLNSESBHTZMNMK-INIZCTEOSA-N 1 3 330.436 1.050 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325816715 444369515 /nfs/dbraw/zinc/36/95/15/444369515.db2.gz MFCSWSBIWFTPAJ-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO COc1cc(NC2CCN(CCN3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000581887062 322229149 /nfs/dbraw/zinc/22/91/49/322229149.db2.gz CIEKBRPAZBULDK-UHFFFAOYSA-N 1 3 348.491 1.485 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000338154176 444539602 /nfs/dbraw/zinc/53/96/02/444539602.db2.gz OXPKKKPKBZOFDB-UHFFFAOYSA-N 1 3 335.448 1.141 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000338240877 444583264 /nfs/dbraw/zinc/58/32/64/444583264.db2.gz YRNIYVDSESCDJP-LJQANCHMSA-N 1 3 335.467 1.793 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000343916186 444666614 /nfs/dbraw/zinc/66/66/14/444666614.db2.gz KWOYGUKINVHPSE-OAGGEKHMSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000343916186 444666618 /nfs/dbraw/zinc/66/66/18/444666618.db2.gz KWOYGUKINVHPSE-OAGGEKHMSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@@H]1[NH3+] ZINC000333945707 444725945 /nfs/dbraw/zinc/72/59/45/444725945.db2.gz TXBMQNUVYHNFIT-YCPHGPKFSA-N 1 3 336.505 1.949 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)CC(F)(F)F ZINC000344157673 444812665 /nfs/dbraw/zinc/81/26/65/444812665.db2.gz WDYQHQQIYCDCCX-CQSZACIVSA-N 1 3 325.419 1.649 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)CC(F)(F)F ZINC000344157673 444812669 /nfs/dbraw/zinc/81/26/69/444812669.db2.gz WDYQHQQIYCDCCX-CQSZACIVSA-N 1 3 325.419 1.649 20 0 EDADHO C[C@@H]1COCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000338988363 444972547 /nfs/dbraw/zinc/97/25/47/444972547.db2.gz SVVWOPYZYLFHCY-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCO[C@H](C)C2)[C@H](C)C1 ZINC000337320531 445032606 /nfs/dbraw/zinc/03/26/06/445032606.db2.gz PEYLTSWAINDHOK-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCO[C@H](C)C2)[C@H](C)C1 ZINC000337320531 445032610 /nfs/dbraw/zinc/03/26/10/445032610.db2.gz PEYLTSWAINDHOK-KURKYZTESA-N 1 3 327.513 1.434 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000343088040 445052914 /nfs/dbraw/zinc/05/29/14/445052914.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC[C@H]1CO ZINC000343088040 445052917 /nfs/dbraw/zinc/05/29/17/445052917.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 1 3 345.487 1.457 20 0 EDADHO CN1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000344559098 445059261 /nfs/dbraw/zinc/05/92/61/445059261.db2.gz ZFVJKZCMCDHEJW-UHFFFAOYSA-N 1 3 344.415 1.352 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000344640050 445099612 /nfs/dbraw/zinc/09/96/12/445099612.db2.gz HTUBFAIHYWADCT-MRXNPFEDSA-N 1 3 348.491 1.872 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C1 ZINC000346225542 445208642 /nfs/dbraw/zinc/20/86/42/445208642.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C1 ZINC000346225542 445208644 /nfs/dbraw/zinc/20/86/44/445208644.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 1 3 326.485 1.079 20 0 EDADHO CC[N@H+](CCC1CCN(CCCS(=O)(=O)NC)CC1)CC1CC1 ZINC000357081789 445414979 /nfs/dbraw/zinc/41/49/79/445414979.db2.gz IHFMCIOMSSGIER-UHFFFAOYSA-N 1 3 345.553 1.760 20 0 EDADHO CC[N@@H+](CCC1CCN(CCCS(=O)(=O)NC)CC1)CC1CC1 ZINC000357081789 445414983 /nfs/dbraw/zinc/41/49/83/445414983.db2.gz IHFMCIOMSSGIER-UHFFFAOYSA-N 1 3 345.553 1.760 20 0 EDADHO CN(C/C=C\C[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000357035951 445387818 /nfs/dbraw/zinc/38/78/18/445387818.db2.gz JFYBIPAWDIUSCY-ARJAWSKDSA-N 1 3 326.448 1.472 20 0 EDADHO CN(C/C=C\C[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000357035951 445387822 /nfs/dbraw/zinc/38/78/22/445387822.db2.gz JFYBIPAWDIUSCY-ARJAWSKDSA-N 1 3 326.448 1.472 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000362547444 445433631 /nfs/dbraw/zinc/43/36/31/445433631.db2.gz JCWPYOGPNXSAIP-CYBMUJFWSA-N 1 3 343.431 1.679 20 0 EDADHO C[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000357249927 445507727 /nfs/dbraw/zinc/50/77/27/445507727.db2.gz SQTILLPFPBGGHW-BBRMVZONSA-N 1 3 332.448 1.386 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000352521482 445535200 /nfs/dbraw/zinc/53/52/00/445535200.db2.gz JFPFCNVKQGIXSX-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243081 445502156 /nfs/dbraw/zinc/50/21/56/445502156.db2.gz PYLMUWMUCIXCKB-QGZVFWFLSA-N 1 3 344.503 1.166 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000356089734 445613960 /nfs/dbraw/zinc/61/39/60/445613960.db2.gz KDUVEQVQARSXJV-CQSZACIVSA-N 1 3 340.512 1.212 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358272757 445614429 /nfs/dbraw/zinc/61/44/29/445614429.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000358272757 445614431 /nfs/dbraw/zinc/61/44/31/445614431.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000358610691 445674675 /nfs/dbraw/zinc/67/46/75/445674675.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000358610691 445674678 /nfs/dbraw/zinc/67/46/78/445674678.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO COCCCN1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000363181016 445711276 /nfs/dbraw/zinc/71/12/76/445711276.db2.gz PNCVZDGEHQQHGB-UHFFFAOYSA-N 1 3 340.512 1.616 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCC1 ZINC000356284253 445717288 /nfs/dbraw/zinc/71/72/88/445717288.db2.gz SVZFUXHEQCYBAL-INIZCTEOSA-N 1 3 340.512 1.349 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCC1 ZINC000356284253 445717289 /nfs/dbraw/zinc/71/72/89/445717289.db2.gz SVZFUXHEQCYBAL-INIZCTEOSA-N 1 3 340.512 1.349 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000349929659 445723910 /nfs/dbraw/zinc/72/39/10/445723910.db2.gz CKJCAXYRJSWUMJ-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000349929659 445723912 /nfs/dbraw/zinc/72/39/12/445723912.db2.gz CKJCAXYRJSWUMJ-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733142 /nfs/dbraw/zinc/73/31/42/445733142.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733145 /nfs/dbraw/zinc/73/31/45/445733145.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360982473 445742436 /nfs/dbraw/zinc/74/24/36/445742436.db2.gz CPQUJFQEOBTHGA-JCGIZDLHSA-N 1 3 332.492 1.739 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360982473 445742439 /nfs/dbraw/zinc/74/24/39/445742439.db2.gz CPQUJFQEOBTHGA-JCGIZDLHSA-N 1 3 332.492 1.739 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484993 445783129 /nfs/dbraw/zinc/78/31/29/445783129.db2.gz LQGCEHDRGPNGKF-QGZVFWFLSA-N 1 3 347.503 1.758 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)NC2CCCC2)C1 ZINC000350261275 445803068 /nfs/dbraw/zinc/80/30/68/445803068.db2.gz XDVRIQZDTIAVIS-KRWDZBQOSA-N 1 3 325.497 1.868 20 0 EDADHO CCn1nc(C)c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000354041014 445870366 /nfs/dbraw/zinc/87/03/66/445870366.db2.gz QJYISPMMNGCMEG-BEFAXECRSA-N 1 3 333.524 1.978 20 0 EDADHO CCn1nc(C)c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1C ZINC000354041014 445870368 /nfs/dbraw/zinc/87/03/68/445870368.db2.gz QJYISPMMNGCMEG-BEFAXECRSA-N 1 3 333.524 1.978 20 0 EDADHO COC1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725260 445899884 /nfs/dbraw/zinc/89/98/84/445899884.db2.gz DFMPPPGCAYHXGX-GOSISDBHSA-N 1 3 345.487 1.783 20 0 EDADHO O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H](N2CCCCC2)C1 ZINC000361727838 445901455 /nfs/dbraw/zinc/90/14/55/445901455.db2.gz MTWUQDPMEIUYMM-INIZCTEOSA-N 1 3 346.479 1.293 20 0 EDADHO CC1CC[NH+](CC2CCN(C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000369212620 445997931 /nfs/dbraw/zinc/99/79/31/445997931.db2.gz RJCISISMTHEDIX-GOSISDBHSA-N 1 3 337.508 1.414 20 0 EDADHO C[N@H+](C[C@H]1CC12CCN(C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046940 445990530 /nfs/dbraw/zinc/99/05/30/445990530.db2.gz XQCIFACBBKJDKR-HUUCEWRRSA-N 1 3 326.506 1.617 20 0 EDADHO C[N@@H+](C[C@H]1CC12CCN(C[C@H]1CCS(=O)(=O)C1)CC2)C1CC1 ZINC000365046940 445990532 /nfs/dbraw/zinc/99/05/32/445990532.db2.gz XQCIFACBBKJDKR-HUUCEWRRSA-N 1 3 326.506 1.617 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000361792780 445951708 /nfs/dbraw/zinc/95/17/08/445951708.db2.gz QTPRHPQTADCJCA-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583360009 326056069 /nfs/dbraw/zinc/05/60/69/326056069.db2.gz BAINHYJBWONVOS-HNNXBMFYSA-N 1 3 334.468 1.394 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@@H](C)O)CC2)CC1 ZINC000584003804 326183117 /nfs/dbraw/zinc/18/31/17/326183117.db2.gz QIVIUTNGRFJOKA-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373192726 446088903 /nfs/dbraw/zinc/08/89/03/446088903.db2.gz WANBEVVFQGANJD-CEXWTWQISA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000373192726 446088909 /nfs/dbraw/zinc/08/89/09/446088909.db2.gz WANBEVVFQGANJD-CEXWTWQISA-N 1 3 344.503 1.895 20 0 EDADHO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000356904459 446110715 /nfs/dbraw/zinc/11/07/15/446110715.db2.gz TZUKRZJFXAHRNW-QXAKKESOSA-N 1 3 347.503 1.680 20 0 EDADHO C[C@@H](c1nnnn1C1CC1)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276416 446120228 /nfs/dbraw/zinc/12/02/28/446120228.db2.gz RJGDACUGWGTGDD-BBRMVZONSA-N 1 3 333.484 1.169 20 0 EDADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(CN2CCCCC2)c1 ZINC000351573022 446169739 /nfs/dbraw/zinc/16/97/39/446169739.db2.gz TVSAEOXGIQXIFG-KRWDZBQOSA-N 1 3 344.459 1.479 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000365620704 446276808 /nfs/dbraw/zinc/27/68/08/446276808.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 1 3 328.501 1.472 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000365620704 446276811 /nfs/dbraw/zinc/27/68/11/446276811.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 1 3 328.501 1.472 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCCC[NH3+])CC2)cc1 ZINC000417338838 446347665 /nfs/dbraw/zinc/34/76/65/446347665.db2.gz ZHXQJQWONRYHCP-UHFFFAOYSA-N 1 3 334.464 1.555 20 0 EDADHO CN(c1ccccc1C[NH2+]CC[C@@H]1CCC(=O)N1)C1CCN(C)CC1 ZINC000370580012 446341374 /nfs/dbraw/zinc/34/13/74/446341374.db2.gz PNDHYBOTUJXOSR-KRWDZBQOSA-N 1 3 344.503 1.975 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417332383 446345427 /nfs/dbraw/zinc/34/54/27/446345427.db2.gz QYSPRWNSQAQSPT-ZJIFWQFVSA-N 1 3 326.485 1.255 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCC[C@@H](C)[NH3+])CC2)cc1 ZINC000417334667 446345879 /nfs/dbraw/zinc/34/58/79/446345879.db2.gz RKULRRRZDIMXBV-OAHLLOKOSA-N 1 3 348.491 1.944 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1COC(C)(C)C1 ZINC000417959122 446400784 /nfs/dbraw/zinc/40/07/84/446400784.db2.gz WCCHATDJMMWRPH-IRXDYDNUSA-N 1 3 333.476 1.433 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156737 446442272 /nfs/dbraw/zinc/44/22/72/446442272.db2.gz UDWACBMWJLVLKK-WBQJQJEBSA-N 1 3 343.471 1.695 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000418181202 446448170 /nfs/dbraw/zinc/44/81/70/446448170.db2.gz KZHSJTFFPUQNGY-RANZSIQMSA-N 1 3 330.476 1.929 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992963 446409820 /nfs/dbraw/zinc/40/98/20/446409820.db2.gz NGBSPFKXCGIZEO-MSOLQXFVSA-N 1 3 348.491 1.426 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314998 446480646 /nfs/dbraw/zinc/48/06/46/446480646.db2.gz RIVLMVXLADQDKO-ZWKOTPCHSA-N 1 3 332.492 1.479 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317395 446483394 /nfs/dbraw/zinc/48/33/94/446483394.db2.gz MXVYBNFOWLMFKV-SZVBFZGTSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317395 446483402 /nfs/dbraw/zinc/48/34/02/446483402.db2.gz MXVYBNFOWLMFKV-SZVBFZGTSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1 ZINC000420317395 446483407 /nfs/dbraw/zinc/48/34/07/446483407.db2.gz MXVYBNFOWLMFKV-SZVBFZGTSA-N 1 3 333.476 1.390 20 0 EDADHO CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000420325927 446493907 /nfs/dbraw/zinc/49/39/07/446493907.db2.gz WWJUOBGZSWSYRD-CGTJXYLNSA-N 1 3 335.492 1.515 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418311515 446494103 /nfs/dbraw/zinc/49/41/03/446494103.db2.gz FYMKBRYVHOPWLM-SFHVURJKSA-N 1 3 330.476 1.904 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341452 446512781 /nfs/dbraw/zinc/51/27/81/446512781.db2.gz OOFAKUGFVCFRFT-ZWKOTPCHSA-N 1 3 345.487 1.675 20 0 EDADHO COc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420342306 446513144 /nfs/dbraw/zinc/51/31/44/446513144.db2.gz PGNADXYOAYYVJC-DLBZAZTESA-N 1 3 331.460 1.633 20 0 EDADHO C[NH2+]CCNC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418329225 446501027 /nfs/dbraw/zinc/50/10/27/446501027.db2.gz OIHLCZIRNPKAGD-UHFFFAOYSA-N 1 3 346.397 1.998 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418402346 446530703 /nfs/dbraw/zinc/53/07/03/446530703.db2.gz ZDNYEBDWYOERMX-VQIMIIECSA-N 1 3 348.491 1.120 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418409630 446533201 /nfs/dbraw/zinc/53/32/01/446533201.db2.gz VNTGKKKUYKYFNI-GOSISDBHSA-N 1 3 332.492 1.930 20 0 EDADHO Fc1ccc(N2CCC([NH2+]C[C@@H]3CNCCCO3)CC2)c(F)c1 ZINC000423499384 446555470 /nfs/dbraw/zinc/55/54/70/446555470.db2.gz CJMURNPMKIECDB-HNNXBMFYSA-N 1 3 325.403 1.902 20 0 EDADHO Fc1ccc(N2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)c(F)c1 ZINC000423499384 446555474 /nfs/dbraw/zinc/55/54/74/446555474.db2.gz CJMURNPMKIECDB-HNNXBMFYSA-N 1 3 325.403 1.902 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420379611 446556902 /nfs/dbraw/zinc/55/69/02/446556902.db2.gz XTDYZOKEJJHXRM-INIZCTEOSA-N 1 3 332.448 1.611 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418615838 446617154 /nfs/dbraw/zinc/61/71/54/446617154.db2.gz HNIQIUNEQYDCTM-MRXNPFEDSA-N 1 3 339.528 1.219 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC000433465768 446578387 /nfs/dbraw/zinc/57/83/87/446578387.db2.gz IXWIJISRDNHNQX-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418538662 446585397 /nfs/dbraw/zinc/58/53/97/446585397.db2.gz DWKXBYFVHBMIGW-NVXWUHKLSA-N 1 3 333.480 1.815 20 0 EDADHO C[C@H]1CN(Cc2c[nH]c3nccnc23)CCN1C1CC[NH+](C)CC1 ZINC000368108974 446646431 /nfs/dbraw/zinc/64/64/31/446646431.db2.gz MAVVACAGXMPJQY-AWEZNQCLSA-N 1 3 328.464 1.510 20 0 EDADHO CCO[C@H]1C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793327 446675442 /nfs/dbraw/zinc/67/54/42/446675442.db2.gz INJZFGPHXXYZAL-IRXDYDNUSA-N 1 3 337.508 1.913 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632671 446623943 /nfs/dbraw/zinc/62/39/43/446623943.db2.gz WCWJKDKHXYFERJ-DOTOQJQBSA-N 1 3 333.480 1.685 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423754875 446683323 /nfs/dbraw/zinc/68/33/23/446683323.db2.gz ZHPWFAIUNJTAKE-ZDUSSCGKSA-N 1 3 325.403 1.855 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843760 446747102 /nfs/dbraw/zinc/74/71/02/446747102.db2.gz SLTKNQDYZZGJQH-CABCVRRESA-N 1 3 338.496 1.095 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424140036 446859981 /nfs/dbraw/zinc/85/99/81/446859981.db2.gz AWVURSUHGMVUBU-KFWWJZLASA-N 1 3 334.468 1.053 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419014191 446867798 /nfs/dbraw/zinc/86/77/98/446867798.db2.gz HXFAMRTUWMRVFP-OAHLLOKOSA-N 1 3 346.475 1.094 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419021521 446870832 /nfs/dbraw/zinc/87/08/32/446870832.db2.gz HALWTIFACLFCTJ-RBSFLKMASA-N 1 3 340.512 1.103 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610684 446914615 /nfs/dbraw/zinc/91/46/15/446914615.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000442610684 446914621 /nfs/dbraw/zinc/91/46/21/446914621.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 1 3 339.528 1.137 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)[C@H](C)C1 ZINC000454532730 446903573 /nfs/dbraw/zinc/90/35/73/446903573.db2.gz YYDVUVZVIBBRNG-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)N(C)C)[C@H](C)C1 ZINC000454532730 446903577 /nfs/dbraw/zinc/90/35/77/446903577.db2.gz YYDVUVZVIBBRNG-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158544 446975222 /nfs/dbraw/zinc/97/52/22/446975222.db2.gz WMASRCKTLGCLRI-CVEARBPZSA-N 1 3 340.512 1.104 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000419158544 446975227 /nfs/dbraw/zinc/97/52/27/446975227.db2.gz WMASRCKTLGCLRI-CVEARBPZSA-N 1 3 340.512 1.104 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419161488 446977460 /nfs/dbraw/zinc/97/74/60/446977460.db2.gz JDUSZVHMEVGMEE-DOTOQJQBSA-N 1 3 348.491 1.113 20 0 EDADHO COc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059588 447001577 /nfs/dbraw/zinc/00/15/77/447001577.db2.gz NENVVAGZVAURQU-GJZGRUSLSA-N 1 3 349.475 1.769 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000443060125 447002216 /nfs/dbraw/zinc/00/22/16/447002216.db2.gz OESXMAIPDKLLIC-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000419427673 447166944 /nfs/dbraw/zinc/16/69/44/447166944.db2.gz SHEASMKFFKMIPD-LSDHHAIUSA-N 1 3 346.475 1.313 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000419427672 447168136 /nfs/dbraw/zinc/16/81/36/447168136.db2.gz SHEASMKFFKMIPD-HUUCEWRRSA-N 1 3 346.475 1.313 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458724734 447462704 /nfs/dbraw/zinc/46/27/04/447462704.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458724734 447462709 /nfs/dbraw/zinc/46/27/09/447462709.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000415492897 447477330 /nfs/dbraw/zinc/47/73/30/447477330.db2.gz XRXFYJPCHAOWOE-MRXNPFEDSA-N 1 3 332.448 1.417 20 0 EDADHO COC1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885367 447489233 /nfs/dbraw/zinc/48/92/33/447489233.db2.gz RAPXKNDMJDPCBP-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3COCCO3)CC2)C[C@H](C)O1 ZINC000450477409 447502802 /nfs/dbraw/zinc/50/28/02/447502802.db2.gz WOCCSPIYGKCURJ-SOLBZPMBSA-N 1 3 326.481 1.613 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390869669 447505163 /nfs/dbraw/zinc/50/51/63/447505163.db2.gz FSJSTOBCHSNUCV-HKUYNNGSSA-N 1 3 345.487 1.783 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390879765 447505196 /nfs/dbraw/zinc/50/51/96/447505196.db2.gz USYMPXNGLKOTCK-NXHRZFHOSA-N 1 3 333.476 1.767 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390894617 447505266 /nfs/dbraw/zinc/50/52/66/447505266.db2.gz MXAJWBVIQLVONS-RBUKOAKNSA-N 1 3 345.487 1.926 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926559 447505839 /nfs/dbraw/zinc/50/58/39/447505839.db2.gz JFDUJBRBEZBSLR-SFHVURJKSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(CC[NH2+]C1CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390930254 447506640 /nfs/dbraw/zinc/50/66/40/447506640.db2.gz HYLYSHBOOCRIOK-GOSISDBHSA-N 1 3 331.460 1.536 20 0 EDADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1)CC(C)C ZINC000420015765 447547840 /nfs/dbraw/zinc/54/78/40/447547840.db2.gz RFAPOOZKDSUSHI-OAHLLOKOSA-N 1 3 340.512 1.056 20 0 EDADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)CN)CC1)CC(C)C ZINC000420015765 447547845 /nfs/dbraw/zinc/54/78/45/447547845.db2.gz RFAPOOZKDSUSHI-OAHLLOKOSA-N 1 3 340.512 1.056 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264795 447571751 /nfs/dbraw/zinc/57/17/51/447571751.db2.gz IZMHUVXNOFWEMB-CVEARBPZSA-N 1 3 344.459 1.322 20 0 EDADHO CCN(CC)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000422699434 447719308 /nfs/dbraw/zinc/71/93/08/447719308.db2.gz AMVQRVAYHHLZAU-QGZVFWFLSA-N 1 3 344.463 1.440 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN2CC(CC(N)=O)C2)CC1 ZINC000459626234 447724434 /nfs/dbraw/zinc/72/44/34/447724434.db2.gz ZRCZVBWHHGSOPB-UHFFFAOYSA-N 1 3 330.476 1.526 20 0 EDADHO CC[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)N1CCc2ccccc2C1 ZINC000417020090 447730846 /nfs/dbraw/zinc/73/08/46/447730846.db2.gz RPIQUKROHQWWBU-ROUUACIJSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000429176498 447733650 /nfs/dbraw/zinc/73/36/50/447733650.db2.gz OIRMFRFKUABHPT-SJLPKXTDSA-N 1 3 330.476 1.394 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000422738995 447734555 /nfs/dbraw/zinc/73/45/55/447734555.db2.gz KPWVZSJPZLFBKR-QRVBRYPASA-N 1 3 344.503 1.657 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2)[C@@H](C)C1 ZINC000422745101 447736110 /nfs/dbraw/zinc/73/61/10/447736110.db2.gz LOZGPWVVFIEQGI-MHORFTMASA-N 1 3 327.513 1.480 20 0 EDADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422839971 447765720 /nfs/dbraw/zinc/76/57/20/447765720.db2.gz RPZSBIWTTOMIOL-SJORKVTESA-N 1 3 338.540 1.720 20 0 EDADHO O=C1O[C@]2(CN1CN1CCC[C@@H]1C[NH+]1CCCC1)CN1CCC2CC1 ZINC000496322699 447755728 /nfs/dbraw/zinc/75/57/28/447755728.db2.gz IMKIRHFSIWVJLY-MJGOQNOKSA-N 1 3 348.491 1.421 20 0 EDADHO C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCCN1 ZINC000422847496 447768378 /nfs/dbraw/zinc/76/83/78/447768378.db2.gz RKYAXDFFBHDLDL-IEBWSBKVSA-N 1 3 344.503 1.846 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927330 447774089 /nfs/dbraw/zinc/77/40/89/447774089.db2.gz GBYJBDSHEQEFGS-CORIIIEPSA-N 1 3 340.851 1.996 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927330 447774092 /nfs/dbraw/zinc/77/40/92/447774092.db2.gz GBYJBDSHEQEFGS-CORIIIEPSA-N 1 3 340.851 1.996 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)COc1ccccc1Br ZINC000422938421 447776920 /nfs/dbraw/zinc/77/69/20/447776920.db2.gz KSVFIYGWDULVRD-SRVKXCTJSA-N 1 3 331.254 1.904 20 0 EDADHO Cc1cc(S(=O)(=O)NCCN[C@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000422996218 447788696 /nfs/dbraw/zinc/78/86/96/447788696.db2.gz LJKAWSOEWNOIGL-KBPBESRZSA-N 1 3 345.534 1.750 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cnn3ccccc23)CC[NH2+]CC1 ZINC000423099179 447804482 /nfs/dbraw/zinc/80/44/82/447804482.db2.gz FBQXEHBRMYXDPJ-AWEZNQCLSA-N 1 3 330.432 1.745 20 0 EDADHO Cc1occc1-c1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000569782518 447887275 /nfs/dbraw/zinc/88/72/75/447887275.db2.gz CPVRANUFNGLEJR-UHFFFAOYSA-N 1 3 349.435 2.200 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@H+](C)C1CC1 ZINC000524351478 447926465 /nfs/dbraw/zinc/92/64/65/447926465.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[N@@H+](C)C1CC1 ZINC000524351478 447926470 /nfs/dbraw/zinc/92/64/70/447926470.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 1 3 330.476 1.893 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531064902 448013249 /nfs/dbraw/zinc/01/32/49/448013249.db2.gz SCOZGFKLAGUHLK-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992291 /nfs/dbraw/zinc/99/22/91/447992291.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 1 3 336.524 1.347 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224467 447968894 /nfs/dbraw/zinc/96/88/94/447968894.db2.gz VDADWEAXMGYCJU-QAPCUYQASA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000570224467 447968901 /nfs/dbraw/zinc/96/89/01/447968901.db2.gz VDADWEAXMGYCJU-QAPCUYQASA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000525890182 448050386 /nfs/dbraw/zinc/05/03/86/448050386.db2.gz HSDPPQFLEDKWHL-UHFFFAOYSA-N 1 3 334.464 1.969 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571059699 448103066 /nfs/dbraw/zinc/10/30/66/448103066.db2.gz RRFJKDRNRFJZRP-DLBZAZTESA-N 1 3 338.496 1.128 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)N(C)C1 ZINC000502627043 448103483 /nfs/dbraw/zinc/10/34/83/448103483.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)N(C)C1 ZINC000502627043 448103487 /nfs/dbraw/zinc/10/34/87/448103487.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 1 3 340.512 1.467 20 0 EDADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007112 448115964 /nfs/dbraw/zinc/11/59/64/448115964.db2.gz FNRKDPXIBDQQSA-ZFWWWQNUSA-N 1 3 327.469 1.288 20 0 EDADHO CN(C[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007112 448115966 /nfs/dbraw/zinc/11/59/66/448115966.db2.gz FNRKDPXIBDQQSA-ZFWWWQNUSA-N 1 3 327.469 1.288 20 0 EDADHO CN(C[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007112 448115969 /nfs/dbraw/zinc/11/59/69/448115969.db2.gz FNRKDPXIBDQQSA-ZFWWWQNUSA-N 1 3 327.469 1.288 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CCOCC3)CC2)CC1 ZINC000571296497 448132281 /nfs/dbraw/zinc/13/22/81/448132281.db2.gz RARLNZXXEQQRSJ-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]CCN2CCN(C)C(C)(C)C2)nc1 ZINC000514856574 448215378 /nfs/dbraw/zinc/21/53/78/448215378.db2.gz OIIHOCMLLSHKJU-UHFFFAOYSA-N 1 3 333.480 1.334 20 0 EDADHO COc1ccc2c(c1)OC[C@H](NCc1n[nH]c(C3CC[NH2+]CC3)n1)C2 ZINC000571873915 448222817 /nfs/dbraw/zinc/22/28/17/448222817.db2.gz JIZWQUOHYJNSOF-CQSZACIVSA-N 1 3 343.431 1.374 20 0 EDADHO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[n-]1)C2 ZINC000571873915 448222820 /nfs/dbraw/zinc/22/28/20/448222820.db2.gz JIZWQUOHYJNSOF-CQSZACIVSA-N 1 3 343.431 1.374 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC[C@@H](O)Cc1ccccc1 ZINC000582781717 448337965 /nfs/dbraw/zinc/33/79/65/448337965.db2.gz SLNXWYCWLYCKTI-SFHVURJKSA-N 1 3 329.444 1.715 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000566179035 448405893 /nfs/dbraw/zinc/40/58/93/448405893.db2.gz MFCCTTVVCUTVFH-WMZOPIPTSA-N 1 3 331.460 1.082 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)COC1CCC([NH3+])CC1 ZINC000566194033 448412001 /nfs/dbraw/zinc/41/20/01/448412001.db2.gz XHYLBFWOGMSFSB-UHFFFAOYSA-N 1 3 334.464 1.258 20 0 EDADHO C[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000578121858 448465403 /nfs/dbraw/zinc/46/54/03/448465403.db2.gz VRFCBADKLQNMNC-CRAIPNDOSA-N 1 3 344.503 1.712 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000566560772 448508371 /nfs/dbraw/zinc/50/83/71/448508371.db2.gz IPRDALRUNSBZRM-KSZLIROESA-N 1 3 337.508 1.994 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459283 448533929 /nfs/dbraw/zinc/53/39/29/448533929.db2.gz UDGHXEULPIMUPW-QAPCUYQASA-N 1 3 330.476 1.806 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)CC1 ZINC000584538811 448565054 /nfs/dbraw/zinc/56/50/54/448565054.db2.gz BPWRKHPHQDOMAP-OALUTQOASA-N 1 3 349.519 1.866 20 0 EDADHO CC[NH+]1CCC(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000566889719 448576835 /nfs/dbraw/zinc/57/68/35/448576835.db2.gz VDSPJXCHVVXXJX-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000573073456 448534810 /nfs/dbraw/zinc/53/48/10/448534810.db2.gz CORIHUZVMNFLNE-UXLLHSPISA-N 1 3 332.448 1.021 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000584471150 448539556 /nfs/dbraw/zinc/53/95/56/448539556.db2.gz ZVZRTPIOQUMFSI-GUYCJALGSA-N 1 3 325.416 1.185 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2CC([NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000573438132 448626127 /nfs/dbraw/zinc/62/61/27/448626127.db2.gz AKHSKVVAEVWMJL-IUGQGLEPSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC(N3CCCCC3)C2)C[C@@H](C)O1 ZINC000573438132 448626131 /nfs/dbraw/zinc/62/61/31/448626131.db2.gz AKHSKVVAEVWMJL-IUGQGLEPSA-N 1 3 325.497 1.063 20 0 EDADHO O=C(NCC1CC[NH2+]CC1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000584833725 448648087 /nfs/dbraw/zinc/64/80/87/448648087.db2.gz MUEGDEHLEASKET-RBUKOAKNSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H](C)C1 ZINC000567290143 448658776 /nfs/dbraw/zinc/65/87/76/448658776.db2.gz XDXXDAAUMQTHBV-ZOBUZTSGSA-N 1 3 333.480 1.247 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000540964040 448660018 /nfs/dbraw/zinc/66/00/18/448660018.db2.gz QMOUSDFIDFUFSU-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000567332905 448666437 /nfs/dbraw/zinc/66/64/37/448666437.db2.gz GVXVBSYOEFYKLR-QGZVFWFLSA-N 1 3 333.501 1.979 20 0 EDADHO CCC(CC)[C@H](CNC(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCCC1 ZINC000567571423 448715240 /nfs/dbraw/zinc/71/52/40/448715240.db2.gz BGUKHWPLBCBWLV-SJORKVTESA-N 1 3 339.528 1.171 20 0 EDADHO O=C(NCC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000519590073 448793588 /nfs/dbraw/zinc/79/35/88/448793588.db2.gz PNHQQAOKJREIGV-UHFFFAOYSA-N 1 3 340.537 1.647 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529353172 448837463 /nfs/dbraw/zinc/83/74/63/448837463.db2.gz PLVDHVFLMPZKOQ-HOCLYGCPSA-N 1 3 336.480 1.166 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000579703148 448856863 /nfs/dbraw/zinc/85/68/63/448856863.db2.gz BKZMJSMIMKWGIT-CQSZACIVSA-N 1 3 332.448 1.239 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000579703148 448856867 /nfs/dbraw/zinc/85/68/67/448856867.db2.gz BKZMJSMIMKWGIT-CQSZACIVSA-N 1 3 332.448 1.239 20 0 EDADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547464594 448883159 /nfs/dbraw/zinc/88/31/59/448883159.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000547464594 448883164 /nfs/dbraw/zinc/88/31/64/448883164.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502269 449035105 /nfs/dbraw/zinc/03/51/05/449035105.db2.gz JGNPMWVHYQZCMF-RRFJBIMHSA-N 1 3 337.439 1.599 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCN2C2CCCC2)ccn1 ZINC000530021870 449027143 /nfs/dbraw/zinc/02/71/43/449027143.db2.gz AFRCLJXBTAYQOT-KRWDZBQOSA-N 1 3 346.475 1.769 20 0 EDADHO C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N1CCC(C)CC1 ZINC000592958666 449081825 /nfs/dbraw/zinc/08/18/25/449081825.db2.gz ZWTVOIPCQUDDCC-CABCVRRESA-N 1 3 333.480 1.569 20 0 EDADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959755 449083080 /nfs/dbraw/zinc/08/30/80/449083080.db2.gz PQMDMZSDEUAORY-NUEKZKHPSA-N 1 3 331.464 1.418 20 0 EDADHO COc1ccc([C@H](CNC(=O)N2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000569558501 449042380 /nfs/dbraw/zinc/04/23/80/449042380.db2.gz PHNKFXPRNHCVOH-SFHVURJKSA-N 1 3 346.475 1.837 20 0 EDADHO CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000530220006 449084770 /nfs/dbraw/zinc/08/47/70/449084770.db2.gz AXAOJYLSXPCOOA-QZTJIDSGSA-N 1 3 347.438 1.771 20 0 EDADHO CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000530220006 449084772 /nfs/dbraw/zinc/08/47/72/449084772.db2.gz AXAOJYLSXPCOOA-QZTJIDSGSA-N 1 3 347.438 1.771 20 0 EDADHO COC(=O)c1cn([C@H]2CCN(Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000595893136 449237158 /nfs/dbraw/zinc/23/71/58/449237158.db2.gz PYMRXEREEJTBHO-HNNXBMFYSA-N 1 3 341.415 1.157 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Oc1ccccc1 ZINC000607245053 449589422 /nfs/dbraw/zinc/58/94/22/449589422.db2.gz BEMGQVCFJFHMDQ-MRXNPFEDSA-N 1 3 336.480 1.589 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC(F)(F)F ZINC000617507631 449658302 /nfs/dbraw/zinc/65/83/02/449658302.db2.gz DCOCSPSWVBKCJO-LBPRGKRZSA-N 1 3 349.401 1.447 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnn1CC(F)(F)F ZINC000617507631 449658308 /nfs/dbraw/zinc/65/83/08/449658308.db2.gz DCOCSPSWVBKCJO-LBPRGKRZSA-N 1 3 349.401 1.447 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000617507695 449660039 /nfs/dbraw/zinc/66/00/39/449660039.db2.gz GEHKMHDHOUFXMD-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2ccc(=O)[nH]c21 ZINC000617507695 449660043 /nfs/dbraw/zinc/66/00/43/449660043.db2.gz GEHKMHDHOUFXMD-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000601029517 449663443 /nfs/dbraw/zinc/66/34/43/449663443.db2.gz ZQJLELFZUZQJPJ-LSDHHAIUSA-N 1 3 341.496 1.449 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000601029517 449663448 /nfs/dbraw/zinc/66/34/48/449663448.db2.gz ZQJLELFZUZQJPJ-LSDHHAIUSA-N 1 3 341.496 1.449 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1noc2ccccc12 ZINC000617503909 449646453 /nfs/dbraw/zinc/64/64/53/449646453.db2.gz AFSUEJJTBYBULU-AWEZNQCLSA-N 1 3 332.448 1.759 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1noc2ccccc12 ZINC000617503909 449646455 /nfs/dbraw/zinc/64/64/55/449646455.db2.gz AFSUEJJTBYBULU-AWEZNQCLSA-N 1 3 332.448 1.759 20 0 EDADHO COC(=O)c1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)[nH]c1C ZINC000602655944 449734016 /nfs/dbraw/zinc/73/40/16/449734016.db2.gz IPGKZEOCPULGJW-UHFFFAOYSA-N 1 3 336.480 1.568 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[N@@H+]1C ZINC000617704012 449751946 /nfs/dbraw/zinc/75/19/46/449751946.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[N@H+]1C ZINC000617704012 449751949 /nfs/dbraw/zinc/75/19/49/449751949.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 1 3 345.487 1.600 20 0 EDADHO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000597186390 449861118 /nfs/dbraw/zinc/86/11/18/449861118.db2.gz JLTAOQHPFNNTHO-XOYOTBSWSA-N 1 3 332.444 1.817 20 0 EDADHO COC(=O)CCN1CCC[C@@H](N2CCC(CC[NH+](C)C)CC2)C1=O ZINC000595295720 450010745 /nfs/dbraw/zinc/01/07/45/450010745.db2.gz QHHUOEHZAUMCLO-MRXNPFEDSA-N 1 3 339.480 1.204 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000595462651 450160060 /nfs/dbraw/zinc/16/00/60/450160060.db2.gz QUEKEOBSDARMSJ-UHFFFAOYSA-N 1 3 344.463 1.048 20 0 EDADHO CN(CCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1ccncc1 ZINC000620975591 450567696 /nfs/dbraw/zinc/56/76/96/450567696.db2.gz XYYIFEPZOWWQNL-QGZVFWFLSA-N 1 3 334.464 1.477 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623710068 450569159 /nfs/dbraw/zinc/56/91/59/450569159.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000623710068 450569161 /nfs/dbraw/zinc/56/91/61/450569161.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000621153673 450602179 /nfs/dbraw/zinc/60/21/79/450602179.db2.gz XFEXWDQOYPJPDD-MJGOQNOKSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000621153673 450602184 /nfs/dbraw/zinc/60/21/84/450602184.db2.gz XFEXWDQOYPJPDD-MJGOQNOKSA-N 1 3 331.460 1.080 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)cc1 ZINC000633080890 450667684 /nfs/dbraw/zinc/66/76/84/450667684.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC[N@H+](C)C3CC3)C2)cc1 ZINC000633080890 450667688 /nfs/dbraw/zinc/66/76/88/450667688.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 1 3 330.476 1.963 20 0 EDADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629523442 450724878 /nfs/dbraw/zinc/72/48/78/450724878.db2.gz GOMSZOIGAYTNMW-QGZVFWFLSA-N 1 3 329.448 1.815 20 0 EDADHO Cc1cc(N2CCC([NH2+]C[C@H](O)CN3CCCC3)CC2)nc(C)n1 ZINC000629567156 450738930 /nfs/dbraw/zinc/73/89/30/450738930.db2.gz WZKPWUUGBPPRIU-KRWDZBQOSA-N 1 3 333.480 1.109 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CSCCN1Cc1ccccc1)CN1CCCC1 ZINC000629575430 450744334 /nfs/dbraw/zinc/74/43/34/450744334.db2.gz NLTJZOBBVLASDL-OALUTQOASA-N 1 3 349.544 1.650 20 0 EDADHO C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577785 450745129 /nfs/dbraw/zinc/74/51/29/450745129.db2.gz IYRPXVBMBCXVKX-KBAYOESNSA-N 1 3 331.460 1.222 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000629650190 450770987 /nfs/dbraw/zinc/77/09/87/450770987.db2.gz QJQWQXPBWJDZAW-OAHLLOKOSA-N 1 3 349.450 1.866 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc2c1CCOC2 ZINC000631824578 450798067 /nfs/dbraw/zinc/79/80/67/450798067.db2.gz KLKWZUCQGAJCSY-KRWDZBQOSA-N 1 3 331.460 1.579 20 0 EDADHO N[C@]12CCC[C@@H]1C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777895 450863482 /nfs/dbraw/zinc/86/34/82/450863482.db2.gz IMCSPIVURPEIJU-KUHUBIRLSA-N 1 3 327.428 1.876 20 0 EDADHO N[C@]12CCC[C@@H]1C[N@@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000621777895 450863484 /nfs/dbraw/zinc/86/34/84/450863484.db2.gz IMCSPIVURPEIJU-KUHUBIRLSA-N 1 3 327.428 1.876 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940579 450898067 /nfs/dbraw/zinc/89/80/67/450898067.db2.gz ANDRNQBXZOVOGG-CVEARBPZSA-N 1 3 329.510 1.124 20 0 EDADHO CN(CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000629966100 450923954 /nfs/dbraw/zinc/92/39/54/450923954.db2.gz GVYLBWFQTHAJPZ-UHFFFAOYSA-N 1 3 345.487 1.744 20 0 EDADHO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)CCCN2CCCC2)C1 ZINC000631997343 450953950 /nfs/dbraw/zinc/95/39/50/450953950.db2.gz YDSHGSUGGVPBAW-HNNXBMFYSA-N 1 3 337.489 1.440 20 0 EDADHO CC[NH+]1CCC(CCNS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632034582 450986754 /nfs/dbraw/zinc/98/67/54/450986754.db2.gz YBEQOCVGVUBWOI-UHFFFAOYSA-N 1 3 331.526 1.514 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000626939383 451020192 /nfs/dbraw/zinc/02/01/92/451020192.db2.gz BBBLXXMPSCXLDK-LSDHHAIUSA-N 1 3 340.537 1.788 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999406 451064056 /nfs/dbraw/zinc/06/40/56/451064056.db2.gz ZCTCOKJEFNWVLX-WVWOOGAGSA-N 1 3 348.413 1.638 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCCN3CCCC3)C2)CC1 ZINC000632144743 451069862 /nfs/dbraw/zinc/06/98/62/451069862.db2.gz KLZWIMSVIJMONM-QGZVFWFLSA-N 1 3 343.537 1.466 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCOCC[NH3+])N(C)C ZINC000627033390 451091644 /nfs/dbraw/zinc/09/16/44/451091644.db2.gz IILOZUMHJSVZJY-RDJZCZTQSA-N 1 3 336.480 1.603 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000627176801 451167246 /nfs/dbraw/zinc/16/72/46/451167246.db2.gz GJYABTMMWXXAKE-UHFFFAOYSA-N 1 3 326.485 1.130 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627204787 451185848 /nfs/dbraw/zinc/18/58/48/451185848.db2.gz FRSKVEYEBIDQGV-QRTARXTBSA-N 1 3 334.464 1.738 20 0 EDADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000635743398 451213085 /nfs/dbraw/zinc/21/30/85/451213085.db2.gz NVSCSRQFQTXOSH-ROUUACIJSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1N1CCN(C)CC1 ZINC000635750520 451218677 /nfs/dbraw/zinc/21/86/77/451218677.db2.gz SNYMSZUBGUYORW-ROUUACIJSA-N 1 3 348.535 1.347 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084098 451247645 /nfs/dbraw/zinc/24/76/45/451247645.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084098 451247650 /nfs/dbraw/zinc/24/76/50/451247650.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 1 3 346.519 1.682 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638102224 451268540 /nfs/dbraw/zinc/26/85/40/451268540.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 1 3 330.476 1.046 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000638102224 451268544 /nfs/dbraw/zinc/26/85/44/451268544.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 1 3 330.476 1.046 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000638138164 451312594 /nfs/dbraw/zinc/31/25/94/451312594.db2.gz WUXDBYMPVHSCNY-SFHVURJKSA-N 1 3 342.487 1.753 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638144227 451318180 /nfs/dbraw/zinc/31/81/80/451318180.db2.gz BQOLEIFMQSJEKO-OLZOCXBDSA-N 1 3 345.447 1.113 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638275187 451393250 /nfs/dbraw/zinc/39/32/50/451393250.db2.gz KTEANBLCSNPEAJ-IBGZPJMESA-N 1 3 333.476 1.852 20 0 EDADHO C[C@H](CN1CCCC1=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642277 451434823 /nfs/dbraw/zinc/43/48/23/451434823.db2.gz HMQFMQGBLXQKHK-APWZRJJASA-N 1 3 331.460 1.224 20 0 EDADHO C[C@H](CN1CCCC1=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642277 451434827 /nfs/dbraw/zinc/43/48/27/451434827.db2.gz HMQFMQGBLXQKHK-APWZRJJASA-N 1 3 331.460 1.224 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cn1 ZINC000638331997 451438228 /nfs/dbraw/zinc/43/82/28/451438228.db2.gz BUJBWENZWVZAMM-UHFFFAOYSA-N 1 3 348.476 1.621 20 0 EDADHO CN(C)CCN1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638357527 451457519 /nfs/dbraw/zinc/45/75/19/451457519.db2.gz XWMYYJVDGDSUFM-UHFFFAOYSA-N 1 3 328.407 1.359 20 0 EDADHO C[C@@H]1CC2(CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364880 451462338 /nfs/dbraw/zinc/46/23/38/451462338.db2.gz CUCGCBOYDTXFDX-AEFFLSMTSA-N 1 3 344.503 1.436 20 0 EDADHO Nc1ncc(CNCC2CC[NH+](Cc3ccccc3)CC2)c(N)n1 ZINC000638420933 451505923 /nfs/dbraw/zinc/50/59/23/451505923.db2.gz WNZBMCYJTFLUQC-UHFFFAOYSA-N 1 3 326.448 1.304 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764944 451534186 /nfs/dbraw/zinc/53/41/86/451534186.db2.gz HDKKPRNSCYLDDG-SJORKVTESA-N 1 3 332.492 1.340 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000638527079 451558155 /nfs/dbraw/zinc/55/81/55/451558155.db2.gz QLTLGOIRKUTQOY-UHFFFAOYSA-N 1 3 346.475 1.696 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632982592 451678133 /nfs/dbraw/zinc/67/81/33/451678133.db2.gz JTXLMWRUYMFFTD-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780603 451688786 /nfs/dbraw/zinc/68/87/86/451688786.db2.gz TZUUPRLNQJBUNA-ROUUACIJSA-N 1 3 331.460 1.174 20 0 EDADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CNCc2ccccc21 ZINC000638985169 451746636 /nfs/dbraw/zinc/74/66/36/451746636.db2.gz BCRFSHCNWLAIAU-KRWDZBQOSA-N 1 3 337.427 1.317 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000649278620 451949410 /nfs/dbraw/zinc/94/94/10/451949410.db2.gz RBELKKVPDRYKCO-HKUYNNGSSA-N 1 3 331.460 1.708 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)N(C)C)cc1 ZINC000649278490 451949703 /nfs/dbraw/zinc/94/97/03/451949703.db2.gz HRGJSVZKIMRMOV-PKOBYXMFSA-N 1 3 333.476 1.737 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288552 451962622 /nfs/dbraw/zinc/96/26/22/451962622.db2.gz YOFKVEGJEGINHC-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288552 451962626 /nfs/dbraw/zinc/96/26/26/451962626.db2.gz YOFKVEGJEGINHC-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CNCCC2(F)F)cc1 ZINC000649288746 451963305 /nfs/dbraw/zinc/96/33/05/451963305.db2.gz FCKMFBXTXPDAMN-HNNXBMFYSA-N 1 3 341.402 1.488 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](CC(C)C)CN(C)C)cnn1C ZINC000649298941 451974709 /nfs/dbraw/zinc/97/47/09/451974709.db2.gz MKZFOQOOPHCABK-OIISXLGYSA-N 1 3 335.496 1.124 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649315735 451994942 /nfs/dbraw/zinc/99/49/42/451994942.db2.gz GTGCSWWWBCZRCM-NXHRZFHOSA-N 1 3 329.444 1.580 20 0 EDADHO Cc1ncc(CNC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000639654259 452002239 /nfs/dbraw/zinc/00/22/39/452002239.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 1 3 336.505 1.876 20 0 EDADHO Cc1ncc(CNC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)s1 ZINC000639654259 452002245 /nfs/dbraw/zinc/00/22/45/452002245.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 1 3 336.505 1.876 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000637668524 452009323 /nfs/dbraw/zinc/00/93/23/452009323.db2.gz JBRKFZAEKGHYRB-UHFFFAOYSA-N 1 3 334.468 1.708 20 0 EDADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COC1(C)CNC1 ZINC000649336730 452017827 /nfs/dbraw/zinc/01/78/27/452017827.db2.gz QUMVDBQOCJNWBS-HOTGVXAUSA-N 1 3 345.487 1.638 20 0 EDADHO CN1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000649351077 452035751 /nfs/dbraw/zinc/03/57/51/452035751.db2.gz JCPDYHNUIJVXMK-GOSISDBHSA-N 1 3 346.519 1.999 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000637804097 452090929 /nfs/dbraw/zinc/09/09/29/452090929.db2.gz LWAMTUCXXAJUDX-IRXDYDNUSA-N 1 3 343.427 1.390 20 0 EDADHO COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](N)c2ccccc2OC)c1 ZINC000637804097 452090935 /nfs/dbraw/zinc/09/09/35/452090935.db2.gz LWAMTUCXXAJUDX-IRXDYDNUSA-N 1 3 343.427 1.390 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000637843060 452112027 /nfs/dbraw/zinc/11/20/27/452112027.db2.gz ZRISLGJRMCGDBA-SFHVURJKSA-N 1 3 325.412 1.849 20 0 EDADHO [NH3+]CCCOC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647506437 452243022 /nfs/dbraw/zinc/24/30/22/452243022.db2.gz GFZUEBDSRJANFK-UHFFFAOYSA-N 1 3 331.460 1.909 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000643495423 452264702 /nfs/dbraw/zinc/26/47/02/452264702.db2.gz IATOZDFKSBTCLT-KXBFYZLASA-N 1 3 344.503 1.472 20 0 EDADHO CC[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000659434035 452281187 /nfs/dbraw/zinc/28/11/87/452281187.db2.gz IKUILQONGPUBQI-RCCFBDPRSA-N 1 3 348.466 1.904 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000659434851 452281469 /nfs/dbraw/zinc/28/14/69/452281469.db2.gz CWJJUACMVMNOPB-SJLPKXTDSA-N 1 3 347.507 1.272 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659453273 452303282 /nfs/dbraw/zinc/30/32/82/452303282.db2.gz IVBBQSBWLVPJOW-RBSFLKMASA-N 1 3 328.476 1.968 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659453273 452303290 /nfs/dbraw/zinc/30/32/90/452303290.db2.gz IVBBQSBWLVPJOW-RBSFLKMASA-N 1 3 328.476 1.968 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641821963 452304035 /nfs/dbraw/zinc/30/40/35/452304035.db2.gz PVWSSTVXDRKAHJ-UHFFFAOYSA-N 1 3 334.464 1.711 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCOC1 ZINC000638048272 452314079 /nfs/dbraw/zinc/31/40/79/452314079.db2.gz PYMJSSUKWOQTJG-LJQANCHMSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465458 452321136 /nfs/dbraw/zinc/32/11/36/452321136.db2.gz KYANMZQUTXTNPH-VHJHTJHASA-N 1 3 342.487 1.948 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000652136133 452330183 /nfs/dbraw/zinc/33/01/83/452330183.db2.gz GNFISQGEGDDTRW-FGTMMUONSA-N 1 3 348.491 1.165 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000665760219 452333494 /nfs/dbraw/zinc/33/34/94/452333494.db2.gz CJEDAWPHFGDVIR-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1C1CC1 ZINC000665760219 452333502 /nfs/dbraw/zinc/33/35/02/452333502.db2.gz CJEDAWPHFGDVIR-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481593 452341438 /nfs/dbraw/zinc/34/14/38/452341438.db2.gz JAGWKUPIRHWNTA-JGWYNZBZSA-N 1 3 328.460 1.640 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652148072 452343527 /nfs/dbraw/zinc/34/35/27/452343527.db2.gz MUOSFYIVUVDTLK-KLHDSHLOSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657593997 452360227 /nfs/dbraw/zinc/36/02/27/452360227.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 1 3 329.488 1.968 20 0 EDADHO NC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594991 452362308 /nfs/dbraw/zinc/36/23/08/452362308.db2.gz MCFSXECRSYPFGU-LJQANCHMSA-N 1 3 339.439 1.642 20 0 EDADHO NC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594991 452362314 /nfs/dbraw/zinc/36/23/14/452362314.db2.gz MCFSXECRSYPFGU-LJQANCHMSA-N 1 3 339.439 1.642 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC(CC[NH3+])CC2)ccn1 ZINC000652174310 452368877 /nfs/dbraw/zinc/36/88/77/452368877.db2.gz QELISXLCIZRITE-UHFFFAOYSA-N 1 3 349.479 1.292 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NCC1CC[NH2+]CC1 ZINC000659508240 452374068 /nfs/dbraw/zinc/37/40/68/452374068.db2.gz SDIWSHSZOLDFRZ-SFHVURJKSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659542801 452402054 /nfs/dbraw/zinc/40/20/54/452402054.db2.gz NTERBXDZEXSMAL-QAPCUYQASA-N 1 3 345.491 1.733 20 0 EDADHO [NH3+]CC1(CCNC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000659559049 452414119 /nfs/dbraw/zinc/41/41/19/452414119.db2.gz IAIQWAKPEFQXKM-KRWDZBQOSA-N 1 3 346.475 1.181 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCN(C)C)cc1 ZINC000659587910 452443648 /nfs/dbraw/zinc/44/36/48/452443648.db2.gz MAJLNQNVNWMTNZ-ROUUACIJSA-N 1 3 348.491 1.734 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654392535 452445202 /nfs/dbraw/zinc/44/52/02/452445202.db2.gz BBSBSTXBKJIFGA-OKZBNKHCSA-N 1 3 332.492 1.799 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000652262525 452452382 /nfs/dbraw/zinc/45/23/82/452452382.db2.gz XNOVGQLYICJHHZ-MRXNPFEDSA-N 1 3 333.480 1.158 20 0 EDADHO CCN1CCN(CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655688958 452513155 /nfs/dbraw/zinc/51/31/55/452513155.db2.gz QMZUUIHNKCUJLQ-LJQANCHMSA-N 1 3 338.540 1.247 20 0 EDADHO Cc1csc(=O)n1CCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346754 452523051 /nfs/dbraw/zinc/52/30/51/452523051.db2.gz GWVKHGIXYIHOCB-SOUVJXGZSA-N 1 3 325.478 1.437 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849342 452576686 /nfs/dbraw/zinc/57/66/86/452576686.db2.gz IDZOVKQTGYTZSB-CRAIPNDOSA-N 1 3 333.476 1.341 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654528593 452609067 /nfs/dbraw/zinc/60/90/67/452609067.db2.gz XOFVLLBVPXBVCY-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907213 452665179 /nfs/dbraw/zinc/66/51/79/452665179.db2.gz DMXOKGVCMQDMOD-IAGOWNOFSA-N 1 3 329.448 1.866 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907213 452665187 /nfs/dbraw/zinc/66/51/87/452665187.db2.gz DMXOKGVCMQDMOD-IAGOWNOFSA-N 1 3 329.448 1.866 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975636 452721608 /nfs/dbraw/zinc/72/16/08/452721608.db2.gz DACVLZMKFXPELE-MSOLQXFVSA-N 1 3 345.487 1.893 20 0 EDADHO O=C(c1ccc2c(c1)CNC2)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648115258 452830850 /nfs/dbraw/zinc/83/08/50/452830850.db2.gz MMTWJNQMXNILRS-MRXNPFEDSA-N 1 3 336.439 1.937 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000656127106 452880931 /nfs/dbraw/zinc/88/09/31/452880931.db2.gz NMTNFAPJUXSCPC-GDLCADMTSA-N 1 3 340.265 1.905 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCOCC3)CC2)CC1 ZINC000654851247 452974020 /nfs/dbraw/zinc/97/40/20/452974020.db2.gz ZFPLAYBSGBCGFA-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650824349 453029130 /nfs/dbraw/zinc/02/91/30/453029130.db2.gz LLEYGONHDARDJC-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640982 453031137 /nfs/dbraw/zinc/03/11/37/453031137.db2.gz UHMMSYFQSQOEMZ-NVXWUHKLSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640982 453031143 /nfs/dbraw/zinc/03/11/43/453031143.db2.gz UHMMSYFQSQOEMZ-NVXWUHKLSA-N 1 3 333.501 1.974 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047570 /nfs/dbraw/zinc/04/75/70/453047570.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 1 3 336.524 1.378 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047579 /nfs/dbraw/zinc/04/75/79/453047579.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 1 3 336.524 1.378 20 0 EDADHO c1c([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338257 453056363 /nfs/dbraw/zinc/05/63/63/453056363.db2.gz PLTYTXFJSIUOKZ-HOTGVXAUSA-N 1 3 333.480 1.568 20 0 EDADHO c1c([C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338257 453056376 /nfs/dbraw/zinc/05/63/76/453056376.db2.gz PLTYTXFJSIUOKZ-HOTGVXAUSA-N 1 3 333.480 1.568 20 0 EDADHO CC(C)(C)N1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666723797 453099804 /nfs/dbraw/zinc/09/98/04/453099804.db2.gz LEUJXKICTUYWFO-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccncc1 ZINC000664561011 453196198 /nfs/dbraw/zinc/19/61/98/453196198.db2.gz GOTIJSPGARVNEO-INIZCTEOSA-N 1 3 349.523 1.930 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(C)(C)c1ccncc1 ZINC000664561011 453196207 /nfs/dbraw/zinc/19/62/07/453196207.db2.gz GOTIJSPGARVNEO-INIZCTEOSA-N 1 3 349.523 1.930 20 0 EDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334758 453223815 /nfs/dbraw/zinc/22/38/15/453223815.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 1 3 349.519 1.256 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334758 453223825 /nfs/dbraw/zinc/22/38/25/453223825.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 1 3 349.519 1.256 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334757 453224041 /nfs/dbraw/zinc/22/40/41/453224041.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 1 3 349.519 1.256 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334757 453224050 /nfs/dbraw/zinc/22/40/50/453224050.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 1 3 349.519 1.256 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000648782534 453266278 /nfs/dbraw/zinc/26/62/78/453266278.db2.gz NIVWNHVKDLJAMH-INIZCTEOSA-N 1 3 349.523 1.786 20 0 EDADHO CC(C)[N@@H+]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666971854 453287715 /nfs/dbraw/zinc/28/77/15/453287715.db2.gz IQPXQQUGQUCPKQ-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)[N@H+]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000666971854 453287721 /nfs/dbraw/zinc/28/77/21/453287721.db2.gz IQPXQQUGQUCPKQ-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653117424 453305732 /nfs/dbraw/zinc/30/57/32/453305732.db2.gz LJVSICRFQHTQMA-QOKNQOGYSA-N 1 3 331.460 1.468 20 0 EDADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120182 453310975 /nfs/dbraw/zinc/31/09/75/453310975.db2.gz IVEBWRAGJOFFGD-DLBZAZTESA-N 1 3 335.492 1.668 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597034 453322585 /nfs/dbraw/zinc/32/25/85/453322585.db2.gz VYQXOPSMWPBCFG-MIALQEHNSA-N 1 3 349.519 1.757 20 0 EDADHO NC[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614509 453333701 /nfs/dbraw/zinc/33/37/01/453333701.db2.gz RMSNUTWRCWHCAD-LJQANCHMSA-N 1 3 345.487 1.736 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367848 453350181 /nfs/dbraw/zinc/35/01/81/453350181.db2.gz SGZVWMKRTXQTRC-GGXPGOJBSA-N 1 3 335.492 1.367 20 0 EDADHO COC[C@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000662637929 453354276 /nfs/dbraw/zinc/35/42/76/453354276.db2.gz MMJDFOQHPWTFDH-IBGZPJMESA-N 1 3 346.475 1.036 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000667051714 453367869 /nfs/dbraw/zinc/36/78/69/453367869.db2.gz NZJNWDTUQXLHTQ-AWEZNQCLSA-N 1 3 348.495 1.823 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc(CC2CC2)nc1 ZINC000667051714 453367879 /nfs/dbraw/zinc/36/78/79/453367879.db2.gz NZJNWDTUQXLHTQ-AWEZNQCLSA-N 1 3 348.495 1.823 20 0 EDADHO NC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653191537 453382792 /nfs/dbraw/zinc/38/27/92/453382792.db2.gz XKBMYHJBSSLGHD-XLAORIBOSA-N 1 3 331.460 1.474 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000667094530 453401669 /nfs/dbraw/zinc/40/16/69/453401669.db2.gz VXJVCKHHCXAVDU-OAHLLOKOSA-N 1 3 332.448 1.334 20 0 EDADHO CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000662720040 453443429 /nfs/dbraw/zinc/44/34/29/453443429.db2.gz PGZZGEOAIHPRFN-ZWKOTPCHSA-N 1 3 331.460 1.473 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+](C)C ZINC000664870351 453455463 /nfs/dbraw/zinc/45/54/63/453455463.db2.gz OLZRYPNHJSELPG-LAVFITLUSA-N 1 3 348.491 1.303 20 0 EDADHO C[C@@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C(=O)NCCN1CCCCC1 ZINC000646557926 453470510 /nfs/dbraw/zinc/47/05/10/453470510.db2.gz MHCSSEPTDBEVJB-VKJFTORMSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655443970 453531427 /nfs/dbraw/zinc/53/14/27/453531427.db2.gz FMXWCVNQWVIWDJ-IEBWSBKVSA-N 1 3 331.460 1.633 20 0 EDADHO C[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000658973146 453557934 /nfs/dbraw/zinc/55/79/34/453557934.db2.gz PPEMKKABEUABKP-AEFFLSMTSA-N 1 3 330.476 1.394 20 0 EDADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858065 453573928 /nfs/dbraw/zinc/57/39/28/453573928.db2.gz DRMABYCWTSDLJT-SJORKVTESA-N 1 3 331.460 1.258 20 0 EDADHO CC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000660786243 453574119 /nfs/dbraw/zinc/57/41/19/453574119.db2.gz IUPNKPBSMBVWFE-MJGOQNOKSA-N 1 3 346.519 1.822 20 0 EDADHO CC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000660786243 453574123 /nfs/dbraw/zinc/57/41/23/453574123.db2.gz IUPNKPBSMBVWFE-MJGOQNOKSA-N 1 3 346.519 1.822 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662886975 453588519 /nfs/dbraw/zinc/58/85/19/453588519.db2.gz QNWWRCQONOENCR-HZPDHXFCSA-N 1 3 348.495 1.443 20 0 EDADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC000660860193 453618489 /nfs/dbraw/zinc/61/84/89/453618489.db2.gz DICVOELDIMWTBN-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000659096365 453629419 /nfs/dbraw/zinc/62/94/19/453629419.db2.gz PGPDRRPIIBLEKZ-MRXNPFEDSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H](N)c1ccccc1 ZINC000662972751 453631020 /nfs/dbraw/zinc/63/10/20/453631020.db2.gz LFIZDAAYGSPGSL-JQHSSLGASA-N 1 3 333.476 1.892 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660885794 453632440 /nfs/dbraw/zinc/63/24/40/453632440.db2.gz ARJYHIRJBXEOTD-XOKHGSTOSA-N 1 3 336.480 1.022 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660885794 453632446 /nfs/dbraw/zinc/63/24/46/453632446.db2.gz ARJYHIRJBXEOTD-XOKHGSTOSA-N 1 3 336.480 1.022 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665363980 453668762 /nfs/dbraw/zinc/66/87/62/453668762.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 1 3 340.512 1.347 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665363980 453668766 /nfs/dbraw/zinc/66/87/66/453668766.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 1 3 340.512 1.347 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C1 ZINC000671587053 486655942 /nfs/dbraw/zinc/65/59/42/486655942.db2.gz GGLIBVOEUQZHIO-BPUTZDHNSA-N 1 3 326.485 1.077 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000431025474 486902491 /nfs/dbraw/zinc/90/24/91/486902491.db2.gz SYFLVIGUSQPXCY-CEXWTWQISA-N 1 3 344.503 1.609 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000681257422 486992679 /nfs/dbraw/zinc/99/26/79/486992679.db2.gz LECBGGIATJZVOF-UKRRQHHQSA-N 1 3 338.496 1.094 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000674025117 487185704 /nfs/dbraw/zinc/18/57/04/487185704.db2.gz MQJPFCTXJAAANN-UHFFFAOYSA-N 1 3 348.495 1.973 20 0 EDADHO CSc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000682239002 487327906 /nfs/dbraw/zinc/32/79/06/487327906.db2.gz ANCFRDFWORXSLH-UHFFFAOYSA-N 1 3 325.482 1.761 20 0 EDADHO C[C@@H]1C[C@@H](NCCOc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000678699396 487353063 /nfs/dbraw/zinc/35/30/63/487353063.db2.gz NPRQAAVNYZYJCF-HIFRSBDPSA-N 1 3 341.477 1.509 20 0 EDADHO C[C@@H]1C[C@@H](NCCOc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1C ZINC000678699396 487353066 /nfs/dbraw/zinc/35/30/66/487353066.db2.gz NPRQAAVNYZYJCF-HIFRSBDPSA-N 1 3 341.477 1.509 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000669530091 485505228 /nfs/dbraw/zinc/50/52/28/485505228.db2.gz PYGVNQNMQXZMRP-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000669600537 485676468 /nfs/dbraw/zinc/67/64/68/485676468.db2.gz WXYQJSOEUWRLHR-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])N2CCCC2)cc1 ZINC000668592644 485928522 /nfs/dbraw/zinc/92/85/22/485928522.db2.gz KOGRUZYWUQXKPB-KYVUIXNKSA-N 1 3 332.448 1.646 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000675196143 486058315 /nfs/dbraw/zinc/05/83/15/486058315.db2.gz ZMHPPHGJXJYPTG-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669401005 486065364 /nfs/dbraw/zinc/06/53/64/486065364.db2.gz ZXNFXODAKSHYQT-OKZBNKHCSA-N 1 3 330.476 1.553 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669401004 486065443 /nfs/dbraw/zinc/06/54/43/486065443.db2.gz ZXNFXODAKSHYQT-FGTMMUONSA-N 1 3 330.476 1.553 20 0 EDADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000168093061 534821174 /nfs/dbraw/zinc/82/11/74/534821174.db2.gz LBKJVJYCGAOTNB-RBUKOAKNSA-N 1 3 345.487 1.690 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158813536 527819288 /nfs/dbraw/zinc/81/92/88/527819288.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000158813536 527819295 /nfs/dbraw/zinc/81/92/95/527819295.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000237195343 536545450 /nfs/dbraw/zinc/54/54/50/536545450.db2.gz BXCNXGATKJWPPY-YJBOKZPZSA-N 1 3 333.476 1.940 20 0 EDADHO CCN1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345728721 535756090 /nfs/dbraw/zinc/75/60/90/535756090.db2.gz LSIJLRMYMNEFKC-LBPRGKRZSA-N 1 3 326.391 1.750 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000271906028 535889496 /nfs/dbraw/zinc/88/94/96/535889496.db2.gz WQNHXWGSEROLKU-KZNAEPCWSA-N 1 3 345.487 1.881 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262665419 535951207 /nfs/dbraw/zinc/95/12/07/535951207.db2.gz JKLUDXKCVUFTJD-IPELMVKDSA-N 1 3 347.503 1.922 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N(C)C(C)C)CC1 ZINC000347583932 536777980 /nfs/dbraw/zinc/77/79/80/536777980.db2.gz GOVSSHQQKHTMFS-UHFFFAOYSA-N 1 3 327.513 1.924 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N(C)C(C)C)CC1 ZINC000347583932 536777988 /nfs/dbraw/zinc/77/79/88/536777988.db2.gz GOVSSHQQKHTMFS-UHFFFAOYSA-N 1 3 327.513 1.924 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000727033901 578510546 /nfs/dbraw/zinc/51/05/46/578510546.db2.gz ZGXLNFNQWYAYRL-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000734283126 578806606 /nfs/dbraw/zinc/80/66/06/578806606.db2.gz QGDSGTUDPCSNCZ-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000748324928 579679606 /nfs/dbraw/zinc/67/96/06/579679606.db2.gz UTRNOZQZWDQXKK-GOSISDBHSA-N 1 3 342.487 1.990 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1(N(C)C)CCSC1 ZINC000748603439 579694827 /nfs/dbraw/zinc/69/48/27/579694827.db2.gz VVBHLZVGKGRSOT-HIFRSBDPSA-N 1 3 330.567 1.372 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1(N(C)C)CCSC1 ZINC000748603439 579694828 /nfs/dbraw/zinc/69/48/28/579694828.db2.gz VVBHLZVGKGRSOT-HIFRSBDPSA-N 1 3 330.567 1.372 20 0 EDADHO COCC[NH+]1CCC(NC[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000764770387 580128414 /nfs/dbraw/zinc/12/84/14/580128414.db2.gz BHUDIWVPBYEXQN-QGZVFWFLSA-N 1 3 338.448 1.438 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC=CO1 ZINC000780748201 580532881 /nfs/dbraw/zinc/53/28/81/580532881.db2.gz KQXXZONUUJBXAO-SJORKVTESA-N 1 3 338.496 1.737 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCC=CO1 ZINC000780748201 580532882 /nfs/dbraw/zinc/53/28/82/580532882.db2.gz KQXXZONUUJBXAO-SJORKVTESA-N 1 3 338.496 1.737 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000783920778 580608442 /nfs/dbraw/zinc/60/84/42/580608442.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000783920778 580608443 /nfs/dbraw/zinc/60/84/43/580608443.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 1 3 330.476 1.894 20 0 EDADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891865692 590661896 /nfs/dbraw/zinc/66/18/96/590661896.db2.gz UAQFQVSBWXMHSD-YIOUJQMASA-N 1 3 346.397 1.547 20 0 EDADHO CN1CCN(C2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000891977682 590719989 /nfs/dbraw/zinc/71/99/89/590719989.db2.gz NUCMMNSPVQPKLX-UHFFFAOYSA-N 1 3 337.512 1.069 20 0 EDADHO CC(C)C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)C(=O)NCCN(C)C ZINC000893260833 590740832 /nfs/dbraw/zinc/74/08/32/590740832.db2.gz RIWLSYCOPAEIAV-IPYPFGDCSA-N 1 3 348.329 1.842 20 0 EDADHO CC(C)C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)C(=O)NCCN(C)C ZINC000893260834 590740924 /nfs/dbraw/zinc/74/09/24/590740924.db2.gz RIWLSYCOPAEIAV-KCQAQPDRSA-N 1 3 348.329 1.842 20 0 EDADHO N[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC000892030456 590761376 /nfs/dbraw/zinc/76/13/76/590761376.db2.gz JYRSKOMBZKGFSU-SFHVURJKSA-N 1 3 346.475 1.629 20 0 EDADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000892157634 590829659 /nfs/dbraw/zinc/82/96/59/590829659.db2.gz ZYMJVXSOCBEWIX-CQSZACIVSA-N 1 3 332.439 1.891 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000893398225 590843372 /nfs/dbraw/zinc/84/33/72/590843372.db2.gz HXNIXWZMUZNKMY-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000893398225 590843376 /nfs/dbraw/zinc/84/33/76/590843376.db2.gz HXNIXWZMUZNKMY-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000891363375 591061089 /nfs/dbraw/zinc/06/10/89/591061089.db2.gz GUSUDPGKUNEARR-OKZBNKHCSA-N 1 3 328.460 1.627 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000891363375 591061093 /nfs/dbraw/zinc/06/10/93/591061093.db2.gz GUSUDPGKUNEARR-OKZBNKHCSA-N 1 3 328.460 1.627 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563224 591073958 /nfs/dbraw/zinc/07/39/58/591073958.db2.gz PZWFPDMNLBNCOZ-IRXDYDNUSA-N 1 3 343.487 1.627 20 0 EDADHO CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000892577317 591078535 /nfs/dbraw/zinc/07/85/35/591078535.db2.gz FBRYCDBSTPBJPN-WKILWMFISA-N 1 3 345.491 1.467 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891493139 591093913 /nfs/dbraw/zinc/09/39/13/591093913.db2.gz MBZAPMKAZAPHQB-MRXNPFEDSA-N 1 3 340.512 1.565 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000891634105 591160193 /nfs/dbraw/zinc/16/01/93/591160193.db2.gz FAIJIZYMKNIXJF-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO CN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759609 591164702 /nfs/dbraw/zinc/16/47/02/591164702.db2.gz KEZMXTSJWRDZJO-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892789881 591179944 /nfs/dbraw/zinc/17/99/44/591179944.db2.gz UXSQAVBSNZAPTL-QRVBRYPASA-N 1 3 342.487 1.732 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892797430 591181262 /nfs/dbraw/zinc/18/12/62/591181262.db2.gz NXYLTJMRRPQDGO-MNEFBYGVSA-N 1 3 342.487 1.969 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)CC[C@H]21 ZINC000892804295 591183495 /nfs/dbraw/zinc/18/34/95/591183495.db2.gz SFLPBPUDQRHZCN-CEXWTWQISA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4CN3)CC[C@H]21 ZINC000892804295 591183498 /nfs/dbraw/zinc/18/34/98/591183498.db2.gz SFLPBPUDQRHZCN-CEXWTWQISA-N 1 3 342.487 1.827 20 0 EDADHO COCCOc1ccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000892947489 591235784 /nfs/dbraw/zinc/23/57/84/591235784.db2.gz DTUOPJVJSNPADF-HNNXBMFYSA-N 1 3 337.464 1.563 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000895665768 591246754 /nfs/dbraw/zinc/24/67/54/591246754.db2.gz GBGWQMXEVKPWPE-UAGQMJEPSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000895665768 591246757 /nfs/dbraw/zinc/24/67/57/591246757.db2.gz GBGWQMXEVKPWPE-UAGQMJEPSA-N 1 3 340.512 1.515 20 0 EDADHO COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000894332737 591281202 /nfs/dbraw/zinc/28/12/02/591281202.db2.gz QNZZTPVEANNPCE-YJNKXOJESA-N 1 3 346.418 1.398 20 0 EDADHO CC1(C)CC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896747656 591601459 /nfs/dbraw/zinc/60/14/59/591601459.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CC1(C)CC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000896747656 591601461 /nfs/dbraw/zinc/60/14/61/591601461.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000898348291 591881255 /nfs/dbraw/zinc/88/12/55/591881255.db2.gz KDWLXRHNLXPOQU-NVXWUHKLSA-N 1 3 341.496 1.536 20 0 EDADHO C[C@H](C(=O)NCC[N@H+](C)CCO)N1CCC(Cc2ccccc2)CC1 ZINC000899733877 591929514 /nfs/dbraw/zinc/92/95/14/591929514.db2.gz LTIOJIJXCRCQNH-QGZVFWFLSA-N 1 3 347.503 1.370 20 0 EDADHO C[C@H](C(=O)NCC[N@@H+](C)CCO)N1CCC(Cc2ccccc2)CC1 ZINC000899733877 591929515 /nfs/dbraw/zinc/92/95/15/591929515.db2.gz LTIOJIJXCRCQNH-QGZVFWFLSA-N 1 3 347.503 1.370 20 0 EDADHO C[NH+](C)CCOc1cccc(NC(=O)C2CN(C3CCOCC3)C2)c1 ZINC000900456742 592022652 /nfs/dbraw/zinc/02/26/52/592022652.db2.gz ONQMUJZSPBITEL-UHFFFAOYSA-N 1 3 347.459 1.676 20 0 EDADHO C[C@@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810954 592068484 /nfs/dbraw/zinc/06/84/84/592068484.db2.gz FTLPIKGEIGEEED-CBBWQLFWSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810954 592068486 /nfs/dbraw/zinc/06/84/86/592068486.db2.gz FTLPIKGEIGEEED-CBBWQLFWSA-N 1 3 338.452 1.043 20 0 EDADHO C[C@@H]1CCCC[C@@H]1NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810954 592068488 /nfs/dbraw/zinc/06/84/88/592068488.db2.gz FTLPIKGEIGEEED-CBBWQLFWSA-N 1 3 338.452 1.043 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000900646190 592087405 /nfs/dbraw/zinc/08/74/05/592087405.db2.gz XOYRENULWSILPX-RBUKOAKNSA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)CC1 ZINC000900646190 592087408 /nfs/dbraw/zinc/08/74/08/592087408.db2.gz XOYRENULWSILPX-RBUKOAKNSA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900646189 592087706 /nfs/dbraw/zinc/08/77/06/592087706.db2.gz XOYRENULWSILPX-OALUTQOASA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000900646189 592087708 /nfs/dbraw/zinc/08/77/08/592087708.db2.gz XOYRENULWSILPX-OALUTQOASA-N 1 3 348.535 1.489 20 0 EDADHO Cn1nccc1[C@@H]1[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CCC(=O)N1C ZINC000903129548 592125252 /nfs/dbraw/zinc/12/52/52/592125252.db2.gz BZPITWSDSKMOPJ-LPHOPBHVSA-N 1 3 345.491 1.546 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825752 592138845 /nfs/dbraw/zinc/13/88/45/592138845.db2.gz BRVWNOLLNTZGPT-KRWDZBQOSA-N 1 3 340.556 1.885 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493099 592185585 /nfs/dbraw/zinc/18/55/85/592185585.db2.gz UHCXHPATVAGXFE-MVWRLGRASA-N 1 3 343.427 1.004 20 0 EDADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494723 592186773 /nfs/dbraw/zinc/18/67/73/592186773.db2.gz LYXFZJQKDXFEAD-HZSPNIEDSA-N 1 3 333.432 1.702 20 0 EDADHO COc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496564 592187885 /nfs/dbraw/zinc/18/78/85/592187885.db2.gz SLEHBLNQRFOGST-CHWSQXEVSA-N 1 3 334.420 1.260 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)Nc1ccc(O)cc1 ZINC000903510452 592190872 /nfs/dbraw/zinc/19/08/72/592190872.db2.gz QBOPQVNUOBJGSS-CALCHBBNSA-N 1 3 344.459 1.231 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)Nc1ccc(O)cc1 ZINC000903510452 592190874 /nfs/dbraw/zinc/19/08/74/592190874.db2.gz QBOPQVNUOBJGSS-CALCHBBNSA-N 1 3 344.459 1.231 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903536593 592199271 /nfs/dbraw/zinc/19/92/71/592199271.db2.gz GBGMURJHUVCTOQ-WBVHZDCISA-N 1 3 337.489 1.640 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)C[C@]2(C)C1 ZINC000904513740 592275659 /nfs/dbraw/zinc/27/56/59/592275659.db2.gz IGRBWYGYFFCHHA-ACJLOTCBSA-N 1 3 332.423 1.887 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CCNC4)C[C@]2(C)C1 ZINC000904513740 592275663 /nfs/dbraw/zinc/27/56/63/592275663.db2.gz IGRBWYGYFFCHHA-ACJLOTCBSA-N 1 3 332.423 1.887 20 0 EDADHO Cc1nc(C[C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730301 592287101 /nfs/dbraw/zinc/28/71/01/592287101.db2.gz VGSPHHKHJABEPK-JKSUJKDBSA-N 1 3 334.464 1.791 20 0 EDADHO CCN(CC)C(=O)C1(NC[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903733515 592296702 /nfs/dbraw/zinc/29/67/02/592296702.db2.gz MXUVVKCAGMERGM-WMZOPIPTSA-N 1 3 337.508 1.916 20 0 EDADHO CCO[C@@H]1C[C@H](O)C12CCN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734453 592297958 /nfs/dbraw/zinc/29/79/58/592297958.db2.gz QXLJZWKFCAZLMU-YESZJQIVSA-N 1 3 338.492 1.397 20 0 EDADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000903737318 592300480 /nfs/dbraw/zinc/30/04/80/592300480.db2.gz RAXNXMMEAWWHQE-MAUKXSAKSA-N 1 3 331.464 1.172 20 0 EDADHO O=C1NCCN1CC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903825361 592334241 /nfs/dbraw/zinc/33/42/41/592334241.db2.gz ZNVNGKFBLADHFM-UHFFFAOYSA-N 1 3 328.460 1.570 20 0 EDADHO O=C1NCCN1CC1CC[NH+](Cc2cccc3c2CCNC3)CC1 ZINC000903825361 592334247 /nfs/dbraw/zinc/33/42/47/592334247.db2.gz ZNVNGKFBLADHFM-UHFFFAOYSA-N 1 3 328.460 1.570 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN(CCCO)Cc2ccccc2)cnn1C ZINC000903890734 592352238 /nfs/dbraw/zinc/35/22/38/592352238.db2.gz GPOLFADEZTXQAB-SFHVURJKSA-N 1 3 330.476 1.731 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908156535 592352421 /nfs/dbraw/zinc/35/24/21/592352421.db2.gz QKWNGLVLCZKWRY-SFHVURJKSA-N 1 3 325.497 1.558 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908156535 592352426 /nfs/dbraw/zinc/35/24/26/592352426.db2.gz QKWNGLVLCZKWRY-SFHVURJKSA-N 1 3 325.497 1.558 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N(CCN)Cc1ccccc1 ZINC000904966234 592361689 /nfs/dbraw/zinc/36/16/89/592361689.db2.gz WVRPBWHXNAQWST-UHFFFAOYSA-N 1 3 348.491 1.020 20 0 EDADHO CS(=O)(=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903914505 592364349 /nfs/dbraw/zinc/36/43/49/592364349.db2.gz IHVPZRXKBACQTH-ZXFUBFMLSA-N 1 3 349.500 1.799 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNC[C@H]2NCCc3ccccc32)cnn1C ZINC000903920740 592377055 /nfs/dbraw/zinc/37/70/55/592377055.db2.gz WXFXPSASHSNEOY-DNVCBOLYSA-N 1 3 327.476 1.323 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923591 592379322 /nfs/dbraw/zinc/37/93/22/592379322.db2.gz YBGPRHNVAMOFDV-FUHWJXTLSA-N 1 3 327.476 1.714 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923591 592379328 /nfs/dbraw/zinc/37/93/28/592379328.db2.gz YBGPRHNVAMOFDV-FUHWJXTLSA-N 1 3 327.476 1.714 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCCC1)C1(O)CCOCC1 ZINC000905022613 592382378 /nfs/dbraw/zinc/38/23/78/592382378.db2.gz AXKZRYZXALIQAK-IBGZPJMESA-N 1 3 348.487 1.665 20 0 EDADHO COc1cccc2c1OC[C@@H](NC[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938117 592388491 /nfs/dbraw/zinc/38/84/91/592388491.db2.gz ZZAFQMSEXKKNPL-PBHICJAKSA-N 1 3 344.459 1.448 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1c[nH]nc1-c1ccc(C)o1)C2 ZINC000903977102 592399709 /nfs/dbraw/zinc/39/97/09/592399709.db2.gz IYGZQIYMYAWGDC-IYOUNJFTSA-N 1 3 344.415 1.690 20 0 EDADHO c1cc2c(c(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)c1)OCO2 ZINC000903980280 592400850 /nfs/dbraw/zinc/40/08/50/592400850.db2.gz NATYFKHALWANQV-CALCHBBNSA-N 1 3 329.444 1.816 20 0 EDADHO c1cc2c(c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)c1)OCO2 ZINC000903980280 592400853 /nfs/dbraw/zinc/40/08/53/592400853.db2.gz NATYFKHALWANQV-CALCHBBNSA-N 1 3 329.444 1.816 20 0 EDADHO c1cc2c(c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)c1)OCO2 ZINC000903980280 592400856 /nfs/dbraw/zinc/40/08/56/592400856.db2.gz NATYFKHALWANQV-CALCHBBNSA-N 1 3 329.444 1.816 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1(O)CCCC1 ZINC000905204606 592464489 /nfs/dbraw/zinc/46/44/89/592464489.db2.gz QHHADTVZCABJKV-ZWKOTPCHSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1(O)CCCC1 ZINC000905204606 592464493 /nfs/dbraw/zinc/46/44/93/592464493.db2.gz QHHADTVZCABJKV-ZWKOTPCHSA-N 1 3 334.460 1.009 20 0 EDADHO CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000905349822 592502526 /nfs/dbraw/zinc/50/25/26/592502526.db2.gz PURQXVFAKCOYPI-INIZCTEOSA-N 1 3 339.505 1.901 20 0 EDADHO O[C@@H](C[NH2+]CCC1(O)CCN(Cc2ccccc2)CC1)C1(O)CCC1 ZINC000905437798 592534500 /nfs/dbraw/zinc/53/45/00/592534500.db2.gz IFEFFKYXKGLGSP-SFHVURJKSA-N 1 3 348.487 1.269 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503736 592546950 /nfs/dbraw/zinc/54/69/50/592546950.db2.gz UEJWLPJMRAJHEJ-QMIVOQANSA-N 1 3 338.414 1.759 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503736 592546951 /nfs/dbraw/zinc/54/69/51/592546951.db2.gz UEJWLPJMRAJHEJ-QMIVOQANSA-N 1 3 338.414 1.759 20 0 EDADHO O[C@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905890526 592669489 /nfs/dbraw/zinc/66/94/89/592669489.db2.gz SUPUDASNOGRBGY-VQTJNVASSA-N 1 3 348.487 1.665 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000906580355 592857382 /nfs/dbraw/zinc/85/73/82/592857382.db2.gz MSQAEGWVECTNCJ-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(OCCN(C)C)cc2)C1 ZINC000911736279 592992796 /nfs/dbraw/zinc/99/27/96/592992796.db2.gz KGGUZVZICYUYIF-NLZINVLXSA-N 1 3 331.460 1.851 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(OCCN(C)C)cc2)C1 ZINC000911775040 593002379 /nfs/dbraw/zinc/00/23/79/593002379.db2.gz PCQXOTVUDWXZRS-UXHZXRBQSA-N 1 3 331.460 1.708 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303556 593085025 /nfs/dbraw/zinc/08/50/25/593085025.db2.gz KMLBZRZCRGSDOT-RRFJBIMHSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303556 593085026 /nfs/dbraw/zinc/08/50/26/593085026.db2.gz KMLBZRZCRGSDOT-RRFJBIMHSA-N 1 3 335.496 1.464 20 0 EDADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756545 593357925 /nfs/dbraw/zinc/35/79/25/593357925.db2.gz SGEOJHVETVYPSM-QGZVFWFLSA-N 1 3 331.460 1.714 20 0 EDADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756545 593357926 /nfs/dbraw/zinc/35/79/26/593357926.db2.gz SGEOJHVETVYPSM-QGZVFWFLSA-N 1 3 331.460 1.714 20 0 EDADHO CC(C)[C@H](CN(C)C)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839689800 593363921 /nfs/dbraw/zinc/36/39/21/593363921.db2.gz TZCSWQDJYZXALC-CVEARBPZSA-N 1 3 327.538 1.906 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000818539613 593704087 /nfs/dbraw/zinc/70/40/87/593704087.db2.gz PUANHIKBUOIMBS-HUUCEWRRSA-N 1 3 331.416 1.532 20 0 EDADHO Cc1ccccc1[C@H](O)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000819043672 593735213 /nfs/dbraw/zinc/73/52/13/593735213.db2.gz TYQDFVKCCHOKQU-GOSISDBHSA-N 1 3 333.476 1.561 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2ccccc2F)ccn1 ZINC000819195358 593743864 /nfs/dbraw/zinc/74/38/64/593743864.db2.gz AZIXWKMIYUFZQI-QGZVFWFLSA-N 1 3 333.407 1.984 20 0 EDADHO COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC000826194494 594372479 /nfs/dbraw/zinc/37/24/79/594372479.db2.gz NCANSUNUGCOQIM-UHFFFAOYSA-N 1 3 330.436 1.649 20 0 EDADHO CCO[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831718684 594695833 /nfs/dbraw/zinc/69/58/33/594695833.db2.gz NIKHINGFGRPPSK-ZWKOTPCHSA-N 1 3 333.476 1.591 20 0 EDADHO CCO[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831718684 594695834 /nfs/dbraw/zinc/69/58/34/594695834.db2.gz NIKHINGFGRPPSK-ZWKOTPCHSA-N 1 3 333.476 1.591 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(CN)c2)CC1 ZINC000831880397 594709037 /nfs/dbraw/zinc/70/90/37/594709037.db2.gz DFMBDRDRLCTXCN-CALCHBBNSA-N 1 3 344.503 1.776 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(CN)c2)CC1 ZINC000831880397 594709038 /nfs/dbraw/zinc/70/90/38/594709038.db2.gz DFMBDRDRLCTXCN-CALCHBBNSA-N 1 3 344.503 1.776 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841285119 594881293 /nfs/dbraw/zinc/88/12/93/594881293.db2.gz RYEGXNBTMFLXNN-BBRMVZONSA-N 1 3 348.447 1.667 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000841833190 594959662 /nfs/dbraw/zinc/95/96/62/594959662.db2.gz SYBJDIHPSVKUAZ-SJLPKXTDSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000841833190 594959664 /nfs/dbraw/zinc/95/96/64/594959664.db2.gz SYBJDIHPSVKUAZ-SJLPKXTDSA-N 1 3 328.460 1.657 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928648 594983420 /nfs/dbraw/zinc/98/34/20/594983420.db2.gz QPTOULFSIURDKF-MRXNPFEDSA-N 1 3 347.507 1.013 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842012301 595002444 /nfs/dbraw/zinc/00/24/44/595002444.db2.gz ZWJZZAULAHWSDF-ROUUACIJSA-N 1 3 332.492 1.930 20 0 EDADHO CC(C)[NH2+]CCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000843205485 595033601 /nfs/dbraw/zinc/03/36/01/595033601.db2.gz PBBHKEBAWZYVTB-UHFFFAOYSA-N 1 3 344.463 1.814 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000837133878 595040594 /nfs/dbraw/zinc/04/05/94/595040594.db2.gz BRRPVUJWGQJNAG-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000842229917 595045938 /nfs/dbraw/zinc/04/59/38/595045938.db2.gz UGNNLXRVUQSGBX-IRXDYDNUSA-N 1 3 346.475 1.093 20 0 EDADHO CN(CC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843353815 595084096 /nfs/dbraw/zinc/08/40/96/595084096.db2.gz LLPGRNCSPMDFPQ-UHFFFAOYSA-N 1 3 346.475 1.092 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509760 595123075 /nfs/dbraw/zinc/12/30/75/595123075.db2.gz LVLJSEVTNGRPAU-QWHCGFSZSA-N 1 3 326.828 1.010 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491013 595128736 /nfs/dbraw/zinc/12/87/36/595128736.db2.gz YLTQYZMNEMDOLU-HKUYNNGSSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844170020 595290400 /nfs/dbraw/zinc/29/04/00/595290400.db2.gz FLQOKJSDPUTSHO-HZPDHXFCSA-N 1 3 325.497 1.770 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CNCc2ccccc21 ZINC000844170032 595290441 /nfs/dbraw/zinc/29/04/41/595290441.db2.gz FPVWQDBVFHQBOT-MJGOQNOKSA-N 1 3 343.471 1.633 20 0 EDADHO CN1c2ccc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2CCC1=O ZINC000843125327 595293023 /nfs/dbraw/zinc/29/30/23/595293023.db2.gz SMTPIRHNWPRGJL-XLIONFOSSA-N 1 3 343.471 1.924 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186058 595296086 /nfs/dbraw/zinc/29/60/86/595296086.db2.gz FGEPNDTZKQYXGR-QRQLOZEOSA-N 1 3 345.487 1.782 20 0 EDADHO Cc1cccc(N2CCN(C(=O)CN(C)C3CCC([NH3+])CC3)CC2)c1 ZINC000844220942 595306110 /nfs/dbraw/zinc/30/61/10/595306110.db2.gz RCQPXOJEMCPXTC-UHFFFAOYSA-N 1 3 344.503 1.845 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000847525587 595440627 /nfs/dbraw/zinc/44/06/27/595440627.db2.gz NIZDXKUTFNQPCC-INIZCTEOSA-N 1 3 336.524 1.345 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)[C@@H](C)C3)CC2)CC1 ZINC000847525587 595440629 /nfs/dbraw/zinc/44/06/29/595440629.db2.gz NIZDXKUTFNQPCC-INIZCTEOSA-N 1 3 336.524 1.345 20 0 EDADHO COC(=O)/C=C\c1ccc(C[NH2+]CCCCN2CCN(C)CC2)o1 ZINC000848893362 595464445 /nfs/dbraw/zinc/46/44/45/595464445.db2.gz VCRVWYOFLWIRSX-FPLPWBNLSA-N 1 3 335.448 1.583 20 0 EDADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000849117868 595484739 /nfs/dbraw/zinc/48/47/39/595484739.db2.gz YVUCOGYHAFIWMT-KBAYOESNSA-N 1 3 348.491 1.672 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541159 595561290 /nfs/dbraw/zinc/56/12/90/595561290.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541159 595561294 /nfs/dbraw/zinc/56/12/94/595561294.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 1 3 349.523 1.690 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852858224 595579685 /nfs/dbraw/zinc/57/96/85/595579685.db2.gz VIKOXXIVMALZPB-IEBWSBKVSA-N 1 3 343.471 1.981 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594242 /nfs/dbraw/zinc/59/42/42/595594242.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 1 3 349.523 1.550 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594245 /nfs/dbraw/zinc/59/42/45/595594245.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 1 3 349.523 1.550 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852895104 595602560 /nfs/dbraw/zinc/60/25/60/595602560.db2.gz XEKFFBJEBVKDMZ-GOEBONIOSA-N 1 3 336.480 1.593 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852895104 595602562 /nfs/dbraw/zinc/60/25/62/595602562.db2.gz XEKFFBJEBVKDMZ-GOEBONIOSA-N 1 3 336.480 1.593 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000852905131 595608530 /nfs/dbraw/zinc/60/85/30/595608530.db2.gz YAGNLJZTFVHANU-SFHVURJKSA-N 1 3 346.475 1.178 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000853052581 595650921 /nfs/dbraw/zinc/65/09/21/595650921.db2.gz WYUFJYSHVMUFAT-CVEARBPZSA-N 1 3 342.553 1.388 20 0 EDADHO [NH3+]C[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000851670686 595878658 /nfs/dbraw/zinc/87/86/58/595878658.db2.gz XETRBLFNLBSUMV-SFHVURJKSA-N 1 3 345.491 1.674 20 0 EDADHO CN(C)Cc1ccc(C[N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000859214847 596006396 /nfs/dbraw/zinc/00/63/96/596006396.db2.gz UOMHMBUXACIRSX-UHFFFAOYSA-N 1 3 346.475 1.901 20 0 EDADHO CN(C)Cc1ccc(C[N@@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000859214847 596006399 /nfs/dbraw/zinc/00/63/99/596006399.db2.gz UOMHMBUXACIRSX-UHFFFAOYSA-N 1 3 346.475 1.901 20 0 EDADHO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC3CN(C)C3)cc2)CC1 ZINC000854232120 596010129 /nfs/dbraw/zinc/01/01/29/596010129.db2.gz MEUCADSMDOHBTP-UHFFFAOYSA-N 1 3 345.491 1.854 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000854641916 596146062 /nfs/dbraw/zinc/14/60/62/596146062.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 1 3 341.471 1.521 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000854641916 596146065 /nfs/dbraw/zinc/14/60/65/596146065.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 1 3 341.471 1.521 20 0 EDADHO CC1(C)CC[C@H](CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)OC1 ZINC000866660409 596283555 /nfs/dbraw/zinc/28/35/55/596283555.db2.gz HRXOSKVRAZSGHD-ZACQAIPSSA-N 1 3 337.508 1.772 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870879583 596387605 /nfs/dbraw/zinc/38/76/05/596387605.db2.gz DMUUTCLSUMUAAU-JCNLHEQBSA-N 1 3 346.475 1.112 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000870882159 596388459 /nfs/dbraw/zinc/38/84/59/596388459.db2.gz KCJXGZDLIIKKQF-HDICACEKSA-N 1 3 345.487 1.777 20 0 EDADHO COCCN(C)CCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868215799 596728185 /nfs/dbraw/zinc/72/81/85/596728185.db2.gz BYLCYRUNNIBHAP-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236655 596740106 /nfs/dbraw/zinc/74/01/06/596740106.db2.gz MQSVGWUTYPLMCW-KKBVYLPWSA-N 1 3 344.459 1.238 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287126 596766785 /nfs/dbraw/zinc/76/67/85/596766785.db2.gz YHBHFPVOLKIBFN-CKDBGZEDSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CCN(Cc3ccccc3)CC1)C2 ZINC000874431550 597075621 /nfs/dbraw/zinc/07/56/21/597075621.db2.gz XBSHWZFIEUEDKW-FXAWDEMLSA-N 1 3 342.487 1.902 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250919 597240479 /nfs/dbraw/zinc/24/04/79/597240479.db2.gz UCBJWFLWYOKHOE-DZKIICNBSA-N 1 3 326.462 1.335 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cn2)CC1 ZINC000873334343 597259882 /nfs/dbraw/zinc/25/98/82/597259882.db2.gz UJFPPCRJYGFWMO-DOTOQJQBSA-N 1 3 332.452 1.556 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCCC[C@@H]1C ZINC000875071806 597269911 /nfs/dbraw/zinc/26/99/11/597269911.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 1 3 340.512 1.394 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCCC[C@@H]1C ZINC000875071806 597269912 /nfs/dbraw/zinc/26/99/12/597269912.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 1 3 340.512 1.394 20 0 EDADHO Cn1ncc(CN)c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738384 597314881 /nfs/dbraw/zinc/31/48/81/597314881.db2.gz CIMPMNPRAYKCJS-UHFFFAOYSA-N 1 3 347.488 1.582 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000876776302 597336196 /nfs/dbraw/zinc/33/61/96/597336196.db2.gz HGURSUXTWHBIIU-QZTJIDSGSA-N 1 3 345.487 1.633 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847423 597357584 /nfs/dbraw/zinc/35/75/84/597357584.db2.gz KOMDJCQYKMNZDS-RBUKOAKNSA-N 1 3 339.439 1.568 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876846685 597357953 /nfs/dbraw/zinc/35/79/53/597357953.db2.gz DVVBUCAFPSHJFH-XJKSGUPXSA-N 1 3 325.403 1.664 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875266393 597359879 /nfs/dbraw/zinc/35/98/79/597359879.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875266393 597359884 /nfs/dbraw/zinc/35/98/84/597359884.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)CN(C)C)c2)CC1 ZINC000876898013 597375620 /nfs/dbraw/zinc/37/56/20/597375620.db2.gz YBYCYOFLYKDGNC-SFHVURJKSA-N 1 3 332.492 1.788 20 0 EDADHO CC(C)(C)OC(=O)NCC(C)(C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000876966466 597400798 /nfs/dbraw/zinc/40/07/98/597400798.db2.gz QXKWNXRXJZEVHK-CQSZACIVSA-N 1 3 329.485 1.584 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000877105162 597434018 /nfs/dbraw/zinc/43/40/18/597434018.db2.gz IEAYJJAQZHAARF-KXBFYZLASA-N 1 3 341.455 1.941 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251993 597480200 /nfs/dbraw/zinc/48/02/00/597480200.db2.gz WUJSCJHRLJZIRL-NJAFHUGGSA-N 1 3 334.508 1.146 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877343641 597496537 /nfs/dbraw/zinc/49/65/37/597496537.db2.gz PFFXBMZIIIJQOV-QGZVFWFLSA-N 1 3 335.517 1.892 20 0 EDADHO CC(C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1)S(C)(=O)=O ZINC000877446337 597516676 /nfs/dbraw/zinc/51/66/76/597516676.db2.gz HBYXQKDIYYCACU-UMVBOHGHSA-N 1 3 330.494 1.566 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000878364212 597597808 /nfs/dbraw/zinc/59/78/08/597597808.db2.gz FPPUNAKVGDNECO-OAHLLOKOSA-N 1 3 341.459 1.733 20 0 EDADHO CC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000878602844 597652045 /nfs/dbraw/zinc/65/20/45/597652045.db2.gz IUPWTMOHZTYFKN-MRXNPFEDSA-N 1 3 349.475 1.955 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431911 597744407 /nfs/dbraw/zinc/74/44/07/597744407.db2.gz GKMQXJXARFUJCE-IAGOWNOFSA-N 1 3 349.479 1.350 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431911 597744409 /nfs/dbraw/zinc/74/44/09/597744409.db2.gz GKMQXJXARFUJCE-IAGOWNOFSA-N 1 3 349.479 1.350 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914076091 695071229 /nfs/dbraw/zinc/07/12/29/695071229.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914076091 695071232 /nfs/dbraw/zinc/07/12/32/695071232.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000914219910 695284595 /nfs/dbraw/zinc/28/45/95/695284595.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000914219910 695284597 /nfs/dbraw/zinc/28/45/97/695284597.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 1 3 336.480 1.166 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729619 698055519 /nfs/dbraw/zinc/05/55/19/698055519.db2.gz RDBZVVXQZSSERG-IAGOWNOFSA-N 1 3 325.497 1.437 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729619 698055525 /nfs/dbraw/zinc/05/55/25/698055525.db2.gz RDBZVVXQZSSERG-IAGOWNOFSA-N 1 3 325.497 1.437 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)CC1 ZINC000941545119 701576052 /nfs/dbraw/zinc/57/60/52/701576052.db2.gz NAHWHTMNRLWQJQ-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941596021 701587607 /nfs/dbraw/zinc/58/76/07/701587607.db2.gz SYZKSMSGBXSYGM-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1)OC ZINC001031806664 699431650 /nfs/dbraw/zinc/43/16/50/699431650.db2.gz KEGZGJIIBFJRRD-IAGOWNOFSA-N 1 3 325.497 1.580 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1)OC ZINC001031806664 699431651 /nfs/dbraw/zinc/43/16/51/699431651.db2.gz KEGZGJIIBFJRRD-IAGOWNOFSA-N 1 3 325.497 1.580 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939258167 699435822 /nfs/dbraw/zinc/43/58/22/699435822.db2.gz PNZWJSXYMKUFMB-RDTXWAMCSA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939551525 699701177 /nfs/dbraw/zinc/70/11/77/699701177.db2.gz TVUZFZZSOUSNIP-CZUORRHYSA-N 1 3 342.447 1.131 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941675020 701614894 /nfs/dbraw/zinc/61/48/94/701614894.db2.gz QIQAXUCZTCSBJA-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941675020 701614895 /nfs/dbraw/zinc/61/48/95/701614895.db2.gz QIQAXUCZTCSBJA-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995057004 700412180 /nfs/dbraw/zinc/41/21/80/700412180.db2.gz TVRJUEFNMWZHJB-HZPDHXFCSA-N 1 3 347.507 1.669 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995064984 700486056 /nfs/dbraw/zinc/48/60/56/700486056.db2.gz JJYFDUDMVUCELK-JSGCOSHPSA-N 1 3 347.419 1.413 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)C1 ZINC000940328587 700506799 /nfs/dbraw/zinc/50/67/99/700506799.db2.gz LAVDKUPZSRSHOM-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC000940329164 700508251 /nfs/dbraw/zinc/50/82/51/700508251.db2.gz QLIXXKVAUILPRL-OAHLLOKOSA-N 1 3 345.491 1.598 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NCc2nncn2C)CC1 ZINC000940471947 700657283 /nfs/dbraw/zinc/65/72/83/700657283.db2.gz CQKHVWWEPSMPFB-OAHLLOKOSA-N 1 3 348.495 1.160 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NCc2nncn2C)CC1 ZINC000940471947 700657284 /nfs/dbraw/zinc/65/72/84/700657284.db2.gz CQKHVWWEPSMPFB-OAHLLOKOSA-N 1 3 348.495 1.160 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940472125 700657505 /nfs/dbraw/zinc/65/75/05/700657505.db2.gz KBTSUWNSNWSBKT-HOTGVXAUSA-N 1 3 347.507 1.764 20 0 EDADHO CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)CN2CCCC2)CC1 ZINC000940461718 700664825 /nfs/dbraw/zinc/66/48/25/700664825.db2.gz JLRJWXNUGSMHOK-UHFFFAOYSA-N 1 3 334.439 1.787 20 0 EDADHO CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000941345536 701480947 /nfs/dbraw/zinc/48/09/47/701480947.db2.gz VWPBWUBBXWEQFW-SFHVURJKSA-N 1 3 336.524 1.345 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408340 701520944 /nfs/dbraw/zinc/52/09/44/701520944.db2.gz BBAKACKEQQQJEG-VQIMIIECSA-N 1 3 348.535 1.203 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976348 701959176 /nfs/dbraw/zinc/95/91/76/701959176.db2.gz JJUSWNCCBKJGHP-HNAYVOBHSA-N 1 3 345.487 1.483 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976348 701959184 /nfs/dbraw/zinc/95/91/84/701959184.db2.gz JJUSWNCCBKJGHP-HNAYVOBHSA-N 1 3 345.487 1.483 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@H](NCc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896630 702200568 /nfs/dbraw/zinc/20/05/68/702200568.db2.gz PHVLQUJDEQILSF-DLBZAZTESA-N 1 3 348.466 1.888 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189261 702227519 /nfs/dbraw/zinc/22/75/19/702227519.db2.gz ZZFDNVQHAQHHKC-HOTGVXAUSA-N 1 3 334.464 1.562 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)cn1 ZINC000996001459 702380811 /nfs/dbraw/zinc/38/08/11/702380811.db2.gz YXOZRTLNHSBZEG-MRXNPFEDSA-N 1 3 345.491 1.375 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)N(C)C ZINC000996248762 702651221 /nfs/dbraw/zinc/65/12/21/702651221.db2.gz QBKHJOIKLFKVGS-DLBZAZTESA-N 1 3 339.524 1.826 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996301458 702693382 /nfs/dbraw/zinc/69/33/82/702693382.db2.gz TWIDTFDLBQUVJN-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301984 702694124 /nfs/dbraw/zinc/69/41/24/702694124.db2.gz VRKJZXFJNQVFGX-WBVHZDCISA-N 1 3 347.507 1.274 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302567 702694400 /nfs/dbraw/zinc/69/44/00/702694400.db2.gz XGTITCQZNDOWJJ-RDJZCZTQSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccs3)CC2)CC[N@@H+]1C ZINC000996604026 702913349 /nfs/dbraw/zinc/91/33/49/702913349.db2.gz QIZKKPYANFGSNE-LSDHHAIUSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccs3)CC2)CC[N@H+]1C ZINC000996604026 702913351 /nfs/dbraw/zinc/91/33/51/702913351.db2.gz QIZKKPYANFGSNE-LSDHHAIUSA-N 1 3 336.505 1.954 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623071 702928256 /nfs/dbraw/zinc/92/82/56/702928256.db2.gz UZOUCYYDFJSWQX-ROUUACIJSA-N 1 3 344.459 1.025 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996661070 702958505 /nfs/dbraw/zinc/95/85/05/702958505.db2.gz LFEPJEQPSXWPFU-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996661070 702958507 /nfs/dbraw/zinc/95/85/07/702958507.db2.gz LFEPJEQPSXWPFU-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@H]([NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C)C(N)=O ZINC000996663525 702961438 /nfs/dbraw/zinc/96/14/38/702961438.db2.gz OZWPBYUSZIHMPD-BBRMVZONSA-N 1 3 346.475 1.062 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)C1CC1 ZINC000996674847 702970056 /nfs/dbraw/zinc/97/00/56/702970056.db2.gz CYSWKTJCACZIPL-GOSISDBHSA-N 1 3 346.475 1.973 20 0 EDADHO Cc1cncc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996671494 702972442 /nfs/dbraw/zinc/97/24/42/702972442.db2.gz OGZGZUCRYADZRZ-UHFFFAOYSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996678903 702977468 /nfs/dbraw/zinc/97/74/68/702977468.db2.gz OQRWWGSBEHNZFL-GOSISDBHSA-N 1 3 330.476 1.811 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996692897 702990194 /nfs/dbraw/zinc/99/01/94/702990194.db2.gz ZWKUFQXZCATKTH-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996692897 702990196 /nfs/dbraw/zinc/99/01/96/702990196.db2.gz ZWKUFQXZCATKTH-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(NCc2cnns2)CC1 ZINC000996715369 703010144 /nfs/dbraw/zinc/01/01/44/703010144.db2.gz FSZKRBRFUFTCDG-GOEBONIOSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(NCc2cnns2)CC1 ZINC000996715369 703010147 /nfs/dbraw/zinc/01/01/47/703010147.db2.gz FSZKRBRFUFTCDG-GOEBONIOSA-N 1 3 349.504 1.636 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000996966173 703226307 /nfs/dbraw/zinc/22/63/07/703226307.db2.gz QUMKXKASXPDCOE-RTBURBONSA-N 1 3 347.503 1.887 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997002330 703258944 /nfs/dbraw/zinc/25/89/44/703258944.db2.gz VJTZJBLPDGVVJN-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007134 703264488 /nfs/dbraw/zinc/26/44/88/703264488.db2.gz OVIPHPLZNIQEKJ-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997178076 703464640 /nfs/dbraw/zinc/46/46/40/703464640.db2.gz BLSAMWCPEQXFJU-OAHLLOKOSA-N 1 3 331.464 1.207 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997178076 703464641 /nfs/dbraw/zinc/46/46/41/703464641.db2.gz BLSAMWCPEQXFJU-OAHLLOKOSA-N 1 3 331.464 1.207 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362673 703596576 /nfs/dbraw/zinc/59/65/76/703596576.db2.gz BAPDLZPFSBKLTJ-QGZVFWFLSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997362673 703596578 /nfs/dbraw/zinc/59/65/78/703596578.db2.gz BAPDLZPFSBKLTJ-QGZVFWFLSA-N 1 3 347.507 1.858 20 0 EDADHO Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997605851 703903187 /nfs/dbraw/zinc/90/31/87/703903187.db2.gz IFNYBYXKQXPIQA-GOSISDBHSA-N 1 3 330.476 1.812 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)ncn1 ZINC000997613802 703913319 /nfs/dbraw/zinc/91/33/19/703913319.db2.gz PYHNYAZSUNPDHD-QGZVFWFLSA-N 1 3 331.464 1.207 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071233 704092179 /nfs/dbraw/zinc/09/21/79/704092179.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071233 704092181 /nfs/dbraw/zinc/09/21/81/704092181.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 1 3 337.508 1.819 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC000999308066 706808805 /nfs/dbraw/zinc/80/88/05/706808805.db2.gz OUHDNVDPAMXYPT-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC000999308066 706808808 /nfs/dbraw/zinc/80/88/08/706808808.db2.gz OUHDNVDPAMXYPT-QZTJIDSGSA-N 1 3 347.507 1.684 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@@H+]1C ZINC000997785948 704690635 /nfs/dbraw/zinc/69/06/35/704690635.db2.gz OGGNGOSRZPJLKK-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@H+]1C ZINC000997785948 704690636 /nfs/dbraw/zinc/69/06/36/704690636.db2.gz OGGNGOSRZPJLKK-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830655 704748003 /nfs/dbraw/zinc/74/80/03/704748003.db2.gz LDEIWBWSXUKBGZ-SFHVURJKSA-N 1 3 347.507 1.571 20 0 EDADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2ccccn2)CC1 ZINC000997836965 704754070 /nfs/dbraw/zinc/75/40/70/704754070.db2.gz OJLZACSKBRVDJN-INIZCTEOSA-N 1 3 342.487 1.894 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950259 705075772 /nfs/dbraw/zinc/07/57/72/705075772.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950259 705075778 /nfs/dbraw/zinc/07/57/78/705075778.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950258 705075887 /nfs/dbraw/zinc/07/58/87/705075887.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950258 705075889 /nfs/dbraw/zinc/07/58/89/705075889.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 1 3 347.507 1.680 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998081195 705301393 /nfs/dbraw/zinc/30/13/93/705301393.db2.gz GSHBPQNMHXFSQX-UKRRQHHQSA-N 1 3 336.505 1.669 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998081195 705301396 /nfs/dbraw/zinc/30/13/96/705301396.db2.gz GSHBPQNMHXFSQX-UKRRQHHQSA-N 1 3 336.505 1.669 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000998119589 705371708 /nfs/dbraw/zinc/37/17/08/705371708.db2.gz NALHXTWUEPIJTB-UHFFFAOYSA-N 1 3 326.391 1.826 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000998216416 705538465 /nfs/dbraw/zinc/53/84/65/705538465.db2.gz HTRFPQBSZXBGTD-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000998216416 705538468 /nfs/dbraw/zinc/53/84/68/705538468.db2.gz HTRFPQBSZXBGTD-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c(C)n1 ZINC000998547866 705982931 /nfs/dbraw/zinc/98/29/31/705982931.db2.gz BICDZNUIKKAPGD-DAWZGUTISA-N 1 3 330.476 1.872 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998792148 706239028 /nfs/dbraw/zinc/23/90/28/706239028.db2.gz UIYDJCPKVKSHTP-PRLABOORSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998792148 706239029 /nfs/dbraw/zinc/23/90/29/706239029.db2.gz UIYDJCPKVKSHTP-PRLABOORSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCCN3C)C2)cn1 ZINC000998995730 706413084 /nfs/dbraw/zinc/41/30/84/706413084.db2.gz UFEUPOXILOAPNH-JCYILVPMSA-N 1 3 331.464 1.348 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519203 /nfs/dbraw/zinc/51/92/03/706519203.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519206 /nfs/dbraw/zinc/51/92/06/706519206.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522217 /nfs/dbraw/zinc/52/22/17/706522217.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 1 3 342.487 1.846 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522221 /nfs/dbraw/zinc/52/22/21/706522221.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 1 3 342.487 1.846 20 0 EDADHO CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cn1 ZINC000999348265 706860305 /nfs/dbraw/zinc/86/03/05/706860305.db2.gz NCEXPUVZFYJUJR-KRWDZBQOSA-N 1 3 347.507 1.510 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999402183 706910361 /nfs/dbraw/zinc/91/03/61/706910361.db2.gz FOBPUHBVZJHBLG-UHFFFAOYSA-N 1 3 333.480 1.231 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)ccn1 ZINC000999407375 706916962 /nfs/dbraw/zinc/91/69/62/706916962.db2.gz UNROHSXLGREPMI-OOHWJJMZSA-N 1 3 346.475 1.654 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)CC3)C2)cn1 ZINC000999599008 707101450 /nfs/dbraw/zinc/10/14/50/707101450.db2.gz PFPUDGPSOIIIDN-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121385 /nfs/dbraw/zinc/12/13/85/707121385.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 1 3 333.476 1.040 20 0 EDADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121390 /nfs/dbraw/zinc/12/13/90/707121390.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 1 3 333.476 1.040 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2CC1)N(C)C ZINC000946784775 707315282 /nfs/dbraw/zinc/31/52/82/707315282.db2.gz TUOSUJDPAJOBNX-KSZLIROESA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2CC1)N(C)C ZINC000946784775 707315284 /nfs/dbraw/zinc/31/52/84/707315284.db2.gz TUOSUJDPAJOBNX-KSZLIROESA-N 1 3 347.507 1.431 20 0 EDADHO CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C(C)C)nn2)C1 ZINC000999992102 707668612 /nfs/dbraw/zinc/66/86/12/707668612.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 1 3 348.495 1.424 20 0 EDADHO CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCN3C(C)C)nn2)C1 ZINC000999992102 707668614 /nfs/dbraw/zinc/66/86/14/707668614.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 1 3 348.495 1.424 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001000023180 707688873 /nfs/dbraw/zinc/68/88/73/707688873.db2.gz BAYVWVAFYXVVCT-HNNXBMFYSA-N 1 3 345.447 1.469 20 0 EDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001000194467 707831178 /nfs/dbraw/zinc/83/11/78/707831178.db2.gz VPWGWHFHCVMROO-YJBOKZPZSA-N 1 3 330.476 1.812 20 0 EDADHO CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCN(CCCO)C1 ZINC001033440668 707869902 /nfs/dbraw/zinc/86/99/02/707869902.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 1 3 345.487 1.247 20 0 EDADHO CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)[C@@H]1CCN(CCCO)C1 ZINC001033440668 707869907 /nfs/dbraw/zinc/86/99/07/707869907.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 1 3 345.487 1.247 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001005178457 708120612 /nfs/dbraw/zinc/12/06/12/708120612.db2.gz IZWNXOAEOGYZBN-IBGZPJMESA-N 1 3 345.487 1.696 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831856 708357721 /nfs/dbraw/zinc/35/77/21/708357721.db2.gz AZHPKPYOOZMYFP-AEFFLSMTSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831856 708357724 /nfs/dbraw/zinc/35/77/24/708357724.db2.gz AZHPKPYOOZMYFP-AEFFLSMTSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661466 708474163 /nfs/dbraw/zinc/47/41/63/708474163.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 1 3 331.460 1.163 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661466 708474167 /nfs/dbraw/zinc/47/41/67/708474167.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 1 3 331.460 1.163 20 0 EDADHO COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687215 708502901 /nfs/dbraw/zinc/50/29/01/708502901.db2.gz ZSAYHGYWNKOSFD-NVXWUHKLSA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687215 708502903 /nfs/dbraw/zinc/50/29/03/708502903.db2.gz ZSAYHGYWNKOSFD-NVXWUHKLSA-N 1 3 333.476 1.929 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042748 708532865 /nfs/dbraw/zinc/53/28/65/708532865.db2.gz IHODWWAEBKSIGS-UHFFFAOYSA-N 1 3 346.475 1.715 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001033953412 709134436 /nfs/dbraw/zinc/13/44/36/709134436.db2.gz MMUKLWXADVKVAI-QFBILLFUSA-N 1 3 347.503 1.708 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042528 709292407 /nfs/dbraw/zinc/29/24/07/709292407.db2.gz PNXZLJWCVLDLEG-HZPDHXFCSA-N 1 3 349.479 1.185 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042528 709292411 /nfs/dbraw/zinc/29/24/11/709292411.db2.gz PNXZLJWCVLDLEG-HZPDHXFCSA-N 1 3 349.479 1.185 20 0 EDADHO CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001002874835 709480870 /nfs/dbraw/zinc/48/08/70/709480870.db2.gz JMZUCVUBOJTKHM-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1)N1CCCC1 ZINC001034339486 709801172 /nfs/dbraw/zinc/80/11/72/709801172.db2.gz GZPBATQIIFUXPJ-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1)N1CCCC1 ZINC001034339486 709801176 /nfs/dbraw/zinc/80/11/76/709801176.db2.gz GZPBATQIIFUXPJ-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034482123 710106269 /nfs/dbraw/zinc/10/62/69/710106269.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 1 3 339.524 1.994 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482123 710106270 /nfs/dbraw/zinc/10/62/70/710106270.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 1 3 339.524 1.994 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001034647476 710324233 /nfs/dbraw/zinc/32/42/33/710324233.db2.gz IROGMZKOECBERG-CCECPURYSA-N 1 3 348.495 1.531 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001034647476 710324235 /nfs/dbraw/zinc/32/42/35/710324235.db2.gz IROGMZKOECBERG-CCECPURYSA-N 1 3 348.495 1.531 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001034649010 710325512 /nfs/dbraw/zinc/32/55/12/710325512.db2.gz CBCPTKQBVVGZSM-UOVPBQLFSA-N 1 3 347.507 1.667 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001034649010 710325514 /nfs/dbraw/zinc/32/55/14/710325514.db2.gz CBCPTKQBVVGZSM-UOVPBQLFSA-N 1 3 347.507 1.667 20 0 EDADHO CN(C)c1ncc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1C ZINC000425367749 710375982 /nfs/dbraw/zinc/37/59/82/710375982.db2.gz ISVUBYBRLLGHMU-RDJZCZTQSA-N 1 3 328.464 1.664 20 0 EDADHO CN(C)c1ncc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1C ZINC000425367749 710375984 /nfs/dbraw/zinc/37/59/84/710375984.db2.gz ISVUBYBRLLGHMU-RDJZCZTQSA-N 1 3 328.464 1.664 20 0 EDADHO CCn1cc(CC[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC001003627618 710457831 /nfs/dbraw/zinc/45/78/31/710457831.db2.gz HKYWAYXSUYEOSJ-INIZCTEOSA-N 1 3 347.507 1.510 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034786271 711090155 /nfs/dbraw/zinc/09/01/55/711090155.db2.gz KWTJIDKCAJKASP-WKILWMFISA-N 1 3 334.464 1.704 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792933 711121237 /nfs/dbraw/zinc/12/12/37/711121237.db2.gz PGDCPLCWINCOMN-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792933 711121242 /nfs/dbraw/zinc/12/12/42/711121242.db2.gz PGDCPLCWINCOMN-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO C[C@H](NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cnccn1 ZINC001034957174 711428479 /nfs/dbraw/zinc/42/84/79/711428479.db2.gz LJFJVCQGJDRWSN-LSDHHAIUSA-N 1 3 331.464 1.603 20 0 EDADHO Cc1ncc(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)ncn2)o1 ZINC001034957343 711428495 /nfs/dbraw/zinc/42/84/95/711428495.db2.gz PHORDNOOUUNDGY-OAHLLOKOSA-N 1 3 329.404 1.405 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCC3)C2 ZINC000922387300 711450290 /nfs/dbraw/zinc/45/02/90/711450290.db2.gz UBVCNNHRXGRRPN-YSHGAJCASA-N 1 3 332.492 1.478 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1c3c(nn1C)CCC3)C2 ZINC000922387300 711450292 /nfs/dbraw/zinc/45/02/92/711450292.db2.gz UBVCNNHRXGRRPN-YSHGAJCASA-N 1 3 332.492 1.478 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004150384 711565583 /nfs/dbraw/zinc/56/55/83/711565583.db2.gz SAJVCOWFQJACFS-INIZCTEOSA-N 1 3 333.480 1.032 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004150384 711565587 /nfs/dbraw/zinc/56/55/87/711565587.db2.gz SAJVCOWFQJACFS-INIZCTEOSA-N 1 3 333.480 1.032 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946643038 712129982 /nfs/dbraw/zinc/12/99/82/712129982.db2.gz ZDUGAVJCNXOOGG-ZJPYXAASSA-N 1 3 337.508 1.534 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946643038 712129984 /nfs/dbraw/zinc/12/99/84/712129984.db2.gz ZDUGAVJCNXOOGG-ZJPYXAASSA-N 1 3 337.508 1.534 20 0 EDADHO COC[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761664 214104287 /nfs/dbraw/zinc/10/42/87/214104287.db2.gz LCBWAUSCBUCNCE-CQSZACIVSA-N 1 3 326.485 1.221 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000174622371 231259552 /nfs/dbraw/zinc/25/95/52/231259552.db2.gz CMUUGOOTBRPHLF-NVXWUHKLSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333126354 282274212 /nfs/dbraw/zinc/27/42/12/282274212.db2.gz BCTPZJICZNRLMC-YXWQFLTLSA-N 1 3 326.510 1.193 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000561193826 306284217 /nfs/dbraw/zinc/28/42/17/306284217.db2.gz KOCMEAYSXLRHRX-NXHRZFHOSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000561193826 306284218 /nfs/dbraw/zinc/28/42/18/306284218.db2.gz KOCMEAYSXLRHRX-NXHRZFHOSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086243 299160199 /nfs/dbraw/zinc/16/01/99/299160199.db2.gz JHKHGHCFUNLWQD-SOUVJXGZSA-N 1 3 326.485 1.125 20 0 EDADHO C[C@H]1CN(CCC(=O)Nc2cccnc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000562319152 306295130 /nfs/dbraw/zinc/29/51/30/306295130.db2.gz GPQFSTVZYZHFRU-FUHWJXTLSA-N 1 3 345.491 1.368 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000562806950 306309743 /nfs/dbraw/zinc/30/97/43/306309743.db2.gz UKLHRBKHJBZGDN-KRWDZBQOSA-N 1 3 345.491 1.939 20 0 EDADHO CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000562998081 306315107 /nfs/dbraw/zinc/31/51/07/306315107.db2.gz YZEYGAQXDOJNJJ-IBGZPJMESA-N 1 3 349.519 1.604 20 0 EDADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089820 306318590 /nfs/dbraw/zinc/31/85/90/306318590.db2.gz AEHHDNNRIKPCQD-IAGOWNOFSA-N 1 3 339.443 1.939 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353835563 295883824 /nfs/dbraw/zinc/88/38/24/295883824.db2.gz MSPZZALXWOEAFR-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342764271 291049607 /nfs/dbraw/zinc/04/96/07/291049607.db2.gz HARMNIPRNBGTCE-IHRRRGAJSA-N 1 3 327.469 1.140 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000412853590 304042091 /nfs/dbraw/zinc/04/20/91/304042091.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 1 3 330.476 1.258 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000412853590 304042093 /nfs/dbraw/zinc/04/20/93/304042093.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 1 3 330.476 1.258 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785308 283098935 /nfs/dbraw/zinc/09/89/35/283098935.db2.gz RMHFMPNVWQLDKG-RTBURBONSA-N 1 3 327.472 1.931 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCn2cccn2)CC1 ZINC000130650559 138344078 /nfs/dbraw/zinc/34/40/78/138344078.db2.gz FFOXSZQCFRYIBH-UHFFFAOYSA-N 1 3 335.496 1.299 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417578873 296018369 /nfs/dbraw/zinc/01/83/69/296018369.db2.gz AYYQNHSFAFJGOK-OAHLLOKOSA-N 1 3 340.512 1.837 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000566016923 306396736 /nfs/dbraw/zinc/39/67/36/306396736.db2.gz JWZBIQJCEOUIJN-KRWDZBQOSA-N 1 3 333.476 1.940 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)C1=CCN(C)CC1 ZINC000566132720 306399435 /nfs/dbraw/zinc/39/94/35/306399435.db2.gz ZSIFWYVZMRYDPX-DZGCQCFKSA-N 1 3 334.416 1.395 20 0 EDADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](COC)Cc1ccccc1 ZINC000414705172 304130167 /nfs/dbraw/zinc/13/01/67/304130167.db2.gz LEJCTVMLHWLNEC-RBUKOAKNSA-N 1 3 347.503 1.763 20 0 EDADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](COC)Cc1ccccc1 ZINC000414705172 304130169 /nfs/dbraw/zinc/13/01/69/304130169.db2.gz LEJCTVMLHWLNEC-RBUKOAKNSA-N 1 3 347.503 1.763 20 0 EDADHO CC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](COC)Cc1ccccc1 ZINC000414705166 304130328 /nfs/dbraw/zinc/13/03/28/304130328.db2.gz LEJCTVMLHWLNEC-MOPGFXCFSA-N 1 3 347.503 1.763 20 0 EDADHO CC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](COC)Cc1ccccc1 ZINC000414705166 304130331 /nfs/dbraw/zinc/13/03/31/304130331.db2.gz LEJCTVMLHWLNEC-MOPGFXCFSA-N 1 3 347.503 1.763 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1 ZINC000414714981 304131860 /nfs/dbraw/zinc/13/18/60/304131860.db2.gz WWGVHONJAUVSJV-GJZGRUSLSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738987 304135318 /nfs/dbraw/zinc/13/53/18/304135318.db2.gz IODXXPPCEBVVJB-KBPBESRZSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N(C)C ZINC000414758082 304137516 /nfs/dbraw/zinc/13/75/16/304137516.db2.gz BTDUIGSBRUTLDC-VIFPVBQESA-N 1 3 346.353 1.169 20 0 EDADHO COc1ccc(CNCCCN2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000414783646 304140636 /nfs/dbraw/zinc/14/06/36/304140636.db2.gz QYUITXVQHKXYKX-UHFFFAOYSA-N 1 3 329.391 1.682 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)NC[C@@H](C)C[NH2+]C)CC1 ZINC000414848458 304147542 /nfs/dbraw/zinc/14/75/42/304147542.db2.gz XAWOYHIAEDFWIZ-KBPBESRZSA-N 1 3 327.469 1.012 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc2c(c1)CNC2)C(C)C ZINC000415051414 304154719 /nfs/dbraw/zinc/15/47/19/304154719.db2.gz ZKOXCSWTHQXEHD-UHFFFAOYSA-N 1 3 346.475 1.806 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC2(N(C)C)CCC2)c1 ZINC000415078509 304158149 /nfs/dbraw/zinc/15/81/49/304158149.db2.gz GOIIKFQBKCYTNQ-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H]2CSCCN2)CC1 ZINC000236922696 139035351 /nfs/dbraw/zinc/03/53/51/139035351.db2.gz OCBFLSFBFKTBGX-CYBMUJFWSA-N 1 3 337.493 1.574 20 0 EDADHO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000237287123 139046607 /nfs/dbraw/zinc/04/66/07/139046607.db2.gz QRHYCGBPJIYWGY-CVEARBPZSA-N 1 3 330.476 1.674 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000237336143 139048383 /nfs/dbraw/zinc/04/83/83/139048383.db2.gz RTMFWMMBEJMQRQ-MSOLQXFVSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000237483712 139052167 /nfs/dbraw/zinc/05/21/67/139052167.db2.gz RTMFWMMBEJMQRQ-ZWKOTPCHSA-N 1 3 344.503 1.785 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604125 139055379 /nfs/dbraw/zinc/05/53/79/139055379.db2.gz GIEQSCLPEKMWRW-FCEWJHQRSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237714308 139058382 /nfs/dbraw/zinc/05/83/82/139058382.db2.gz CELYPPPZYSOQCQ-QLFBSQMISA-N 1 3 327.538 1.954 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237714308 139058383 /nfs/dbraw/zinc/05/83/83/139058383.db2.gz CELYPPPZYSOQCQ-QLFBSQMISA-N 1 3 327.538 1.954 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237910134 139063492 /nfs/dbraw/zinc/06/34/92/139063492.db2.gz KCDPQOBIOAOTJG-PKOBYXMFSA-N 1 3 344.503 1.832 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866207 220213631 /nfs/dbraw/zinc/21/36/31/220213631.db2.gz PYKSDXKOVNOHIL-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283179 304184920 /nfs/dbraw/zinc/18/49/20/304184920.db2.gz SBUPLYFYCAWTRK-UHFFFAOYSA-N 1 3 346.475 1.507 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000415433124 304219276 /nfs/dbraw/zinc/21/92/76/304219276.db2.gz VFCSRKAPDROWDN-HNNXBMFYSA-N 1 3 334.464 1.219 20 0 EDADHO C[NH+](C)C1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000261604680 139210138 /nfs/dbraw/zinc/21/01/38/139210138.db2.gz CKEOIENEXOJHDX-SPYBWZPUSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@H]([NH3+])CC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000261937658 139238480 /nfs/dbraw/zinc/23/84/80/139238480.db2.gz ZTDLGUGPYXKJRH-HNNXBMFYSA-N 1 3 334.464 1.013 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCOc2cccc(Cl)c2)C1 ZINC000261959566 139240049 /nfs/dbraw/zinc/24/00/49/139240049.db2.gz OMMVKHMISUEZBI-CYBMUJFWSA-N 1 3 325.840 1.506 20 0 EDADHO Cc1nn(-c2ccccc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066538 139248073 /nfs/dbraw/zinc/24/80/73/139248073.db2.gz BEUVYLKONPEOIS-IBGZPJMESA-N 1 3 325.460 1.660 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259241 306501440 /nfs/dbraw/zinc/50/14/40/306501440.db2.gz WWICZUYHRRZDFN-RYUDHWBXSA-N 1 3 349.859 1.617 20 0 EDADHO CCC[C@](C)(N)C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000262160764 139256266 /nfs/dbraw/zinc/25/62/66/139256266.db2.gz USRCTLHMTWRRCY-SFHVURJKSA-N 1 3 337.464 1.769 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415539685 250994526 /nfs/dbraw/zinc/99/45/26/250994526.db2.gz KMLFFVCFYBNOMO-DZGCQCFKSA-N 1 3 332.448 1.191 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CNCCC1(F)F ZINC000415554868 251008074 /nfs/dbraw/zinc/00/80/74/251008074.db2.gz BKYKLXIUKDFDAY-AWEZNQCLSA-N 1 3 326.391 1.909 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415571567 304228015 /nfs/dbraw/zinc/22/80/15/304228015.db2.gz MSRWGAPRPZEAAN-GDBMZVCRSA-N 1 3 346.475 1.663 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416009530 251046831 /nfs/dbraw/zinc/04/68/31/251046831.db2.gz PIQJOTHDJMBFFF-NEPJUHHUSA-N 1 3 340.390 1.018 20 0 EDADHO CC[C@@H](CNC(=O)N1CCN[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417007179 251128908 /nfs/dbraw/zinc/12/89/08/251128908.db2.gz GVBOKAGKOXUKDK-YJBOKZPZSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@@H](CNC(=O)N1CCN[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000417007179 251128912 /nfs/dbraw/zinc/12/89/12/251128912.db2.gz GVBOKAGKOXUKDK-YJBOKZPZSA-N 1 3 330.476 1.827 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]12 ZINC000417021061 251136333 /nfs/dbraw/zinc/13/63/33/251136333.db2.gz JTODVOZJMJCJRO-CEXWTWQISA-N 1 3 342.487 1.814 20 0 EDADHO CC[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000417005913 251126316 /nfs/dbraw/zinc/12/63/16/251126316.db2.gz FBFRYRFATFLEEE-OTWHNJEPSA-N 1 3 342.487 1.684 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498691 251181225 /nfs/dbraw/zinc/18/12/25/251181225.db2.gz DITAAXZWQLGSBG-MSOLQXFVSA-N 1 3 348.491 1.829 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417535396 251185437 /nfs/dbraw/zinc/18/54/37/251185437.db2.gz BSLIZDFWHFQGLW-KGLIPLIRSA-N 1 3 326.485 1.255 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417549603 251187693 /nfs/dbraw/zinc/18/76/93/251187693.db2.gz UBLBRYKDHQULAR-LSDHHAIUSA-N 1 3 340.512 1.645 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417580780 251196249 /nfs/dbraw/zinc/19/62/49/251196249.db2.gz GBLGBMSSEVKPCO-HNNXBMFYSA-N 1 3 340.512 1.837 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCSC1 ZINC000417836019 251289582 /nfs/dbraw/zinc/28/95/82/251289582.db2.gz UKXKEMKZGXUGOO-MRXNPFEDSA-N 1 3 326.510 1.209 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCSC1 ZINC000417839446 251293806 /nfs/dbraw/zinc/29/38/06/251293806.db2.gz WNNQAZBXDIWNKO-IJEWVQPXSA-N 1 3 326.510 1.065 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CNCCC3(F)F)ccc21 ZINC000417844656 251294972 /nfs/dbraw/zinc/29/49/72/251294972.db2.gz WWAAWVLBLQMINJ-OAHLLOKOSA-N 1 3 336.386 1.717 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000417823724 251284029 /nfs/dbraw/zinc/28/40/29/251284029.db2.gz JYGLIDBIFHMOGH-KRWDZBQOSA-N 1 3 340.537 1.597 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417860120 251300876 /nfs/dbraw/zinc/30/08/76/251300876.db2.gz XRXIXWONFNNXPY-INIZCTEOSA-N 1 3 334.464 1.180 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418722474 251396914 /nfs/dbraw/zinc/39/69/14/251396914.db2.gz YBZWVYHXFMDLNQ-CQSZACIVSA-N 1 3 344.406 1.868 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418719199 251397149 /nfs/dbraw/zinc/39/71/49/251397149.db2.gz USURHQOVXJWCKO-AWEZNQCLSA-N 1 3 346.397 1.881 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007924 /nfs/dbraw/zinc/00/79/24/252007924.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 1 3 336.524 1.439 20 0 EDADHO O=C(CNC[C@H]1CCCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423785742 252072464 /nfs/dbraw/zinc/07/24/64/252072464.db2.gz ABSMWQCWRDHZCF-GOSISDBHSA-N 1 3 337.508 1.870 20 0 EDADHO CN(CCCOc1ccc(F)cc1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424277507 252189023 /nfs/dbraw/zinc/18/90/23/252189023.db2.gz AOFSDGFGVOGDNN-IAGOWNOFSA-N 1 3 337.439 1.913 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000424338199 252199019 /nfs/dbraw/zinc/19/90/19/252199019.db2.gz UCTHBKVMMPWWKN-IAGOWNOFSA-N 1 3 334.439 1.334 20 0 EDADHO [NH3+]C[C@@H](CN1CCN(CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000424306213 252193078 /nfs/dbraw/zinc/19/30/78/252193078.db2.gz UPOFHYIEYJXTKQ-SFHVURJKSA-N 1 3 335.467 1.912 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424375507 252202601 /nfs/dbraw/zinc/20/26/01/252202601.db2.gz KGEVUAKMCNHJCD-JQHSSLGASA-N 1 3 333.476 1.467 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000424436341 252230201 /nfs/dbraw/zinc/23/02/01/252230201.db2.gz JUPRLGZOGYDYNP-SFHVURJKSA-N 1 3 347.507 1.847 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)c1 ZINC000424441477 252233453 /nfs/dbraw/zinc/23/34/53/252233453.db2.gz SXYVKBADQUXOFE-AWEZNQCLSA-N 1 3 332.448 1.383 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)(C)C ZINC000458409969 254918947 /nfs/dbraw/zinc/91/89/47/254918947.db2.gz MSQZULGUQAXDCB-CVEARBPZSA-N 1 3 342.528 1.499 20 0 EDADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CS1 ZINC000488421674 255043640 /nfs/dbraw/zinc/04/36/40/255043640.db2.gz TUSUUMAQSXMYFX-IRXDYDNUSA-N 1 3 343.581 1.886 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000570394323 306540321 /nfs/dbraw/zinc/54/03/21/306540321.db2.gz AHLKYMNXEBSXOD-TZMCWYRMSA-N 1 3 325.403 1.853 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000494645075 255256212 /nfs/dbraw/zinc/25/62/12/255256212.db2.gz FGVNYYRXZLEWLA-QGZVFWFLSA-N 1 3 333.476 1.818 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC000496362293 255386883 /nfs/dbraw/zinc/38/68/83/255386883.db2.gz QEYKUODNTFNBKT-QXULXFAOSA-N 1 3 341.496 1.771 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC000496362293 255386884 /nfs/dbraw/zinc/38/68/84/255386884.db2.gz QEYKUODNTFNBKT-QXULXFAOSA-N 1 3 341.496 1.771 20 0 EDADHO COC(=O)NCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000496453627 255392938 /nfs/dbraw/zinc/39/29/38/255392938.db2.gz KZBHCHXYPNBDHF-UHFFFAOYSA-N 1 3 333.436 1.121 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000155200472 224376218 /nfs/dbraw/zinc/37/62/18/224376218.db2.gz OMKOLQBQHOFBRU-GOEBONIOSA-N 1 3 334.464 1.577 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)CC[N@H+]1C ZINC000155200472 224376219 /nfs/dbraw/zinc/37/62/19/224376219.db2.gz OMKOLQBQHOFBRU-GOEBONIOSA-N 1 3 334.464 1.577 20 0 EDADHO C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C[NH3+] ZINC000415842602 304280015 /nfs/dbraw/zinc/28/00/15/304280015.db2.gz HNSMMYIHSHRDJI-GOEBONIOSA-N 1 3 346.475 1.173 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140657 141270646 /nfs/dbraw/zinc/27/06/46/141270646.db2.gz KVXWHUZKVCHGTL-KFWWJZLASA-N 1 3 329.452 1.023 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000333489777 141325824 /nfs/dbraw/zinc/32/58/24/141325824.db2.gz DDCPQUAQASPUFU-KNCCTNLNSA-N 1 3 346.475 1.533 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333854088 141395219 /nfs/dbraw/zinc/39/52/19/141395219.db2.gz OEBICKNRAWJCQQ-RYQLBKOJSA-N 1 3 337.508 1.852 20 0 EDADHO CO[C@@H]1CCC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000339546402 142073203 /nfs/dbraw/zinc/07/32/03/142073203.db2.gz PVBOFKIYUAJWMB-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339610819 142092914 /nfs/dbraw/zinc/09/29/14/142092914.db2.gz HMXJDIXEAUSIHD-CVEARBPZSA-N 1 3 340.512 1.066 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000339851170 142177375 /nfs/dbraw/zinc/17/73/75/142177375.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 1 3 341.544 1.288 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000339851170 142177377 /nfs/dbraw/zinc/17/73/77/142177377.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 1 3 341.544 1.288 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000340213602 142305765 /nfs/dbraw/zinc/30/57/65/142305765.db2.gz JEOPMELABFMERI-INIZCTEOSA-N 1 3 340.512 1.025 20 0 EDADHO CC1CC[NH+](C2CCC(NC(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000344720189 143002761 /nfs/dbraw/zinc/00/27/61/143002761.db2.gz HHVCOLLGMWTKIP-CTWPCTMYSA-N 1 3 348.535 1.536 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@@H](C)O1 ZINC000345695877 143122484 /nfs/dbraw/zinc/12/24/84/143122484.db2.gz QGJNJXHISDJMOO-CBZIJGRNSA-N 1 3 325.497 1.900 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC[C@H]1C ZINC000345719275 143125357 /nfs/dbraw/zinc/12/53/57/143125357.db2.gz BPPFYDWUUVYVLU-ZACQAIPSSA-N 1 3 325.497 1.534 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCOC[C@H]1C ZINC000345719275 143125358 /nfs/dbraw/zinc/12/53/58/143125358.db2.gz BPPFYDWUUVYVLU-ZACQAIPSSA-N 1 3 325.497 1.534 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345800682 143134974 /nfs/dbraw/zinc/13/49/74/143134974.db2.gz YEBGQLYTVGKEEE-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C1 ZINC000345846879 143139256 /nfs/dbraw/zinc/13/92/56/143139256.db2.gz ASAHRSDPVYFXJJ-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000347046898 143276012 /nfs/dbraw/zinc/27/60/12/143276012.db2.gz PZSRDONISHUIBJ-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO CCOC(=O)COCCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000347755752 143358624 /nfs/dbraw/zinc/35/86/24/143358624.db2.gz XRMBFAWFBCWYRY-HOTGVXAUSA-N 1 3 342.480 1.387 20 0 EDADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000572615236 306595257 /nfs/dbraw/zinc/59/52/57/306595257.db2.gz UXGFWJIKLOJHEU-SJORKVTESA-N 1 3 337.533 1.901 20 0 EDADHO COc1cccc([C@H](CNC(=O)NCC2C[NH2+]C2)N2CCCC2)c1 ZINC000416861197 304352798 /nfs/dbraw/zinc/35/27/98/304352798.db2.gz WUDXGCPNVZSKTO-KRWDZBQOSA-N 1 3 332.448 1.351 20 0 EDADHO Cc1cccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000352785502 149164809 /nfs/dbraw/zinc/16/48/09/149164809.db2.gz ZPYYBPNPQVBMPB-KRWDZBQOSA-N 1 3 332.492 1.891 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393111 149389280 /nfs/dbraw/zinc/38/92/80/149389280.db2.gz FUXMHTYBZXVRGT-DOTOQJQBSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393111 149389281 /nfs/dbraw/zinc/38/92/81/149389281.db2.gz FUXMHTYBZXVRGT-DOTOQJQBSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000416971934 304357879 /nfs/dbraw/zinc/35/78/79/304357879.db2.gz QXNJAUDBTOAXJP-GOSISDBHSA-N 1 3 334.464 1.507 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971987 304357925 /nfs/dbraw/zinc/35/79/25/304357925.db2.gz FHFJMQZUTNRMPB-YOEHRIQHSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000416972839 304358130 /nfs/dbraw/zinc/35/81/30/304358130.db2.gz ISZBPNIJVXLRAS-YJBOKZPZSA-N 1 3 330.476 1.682 20 0 EDADHO c1cnn(CCN2CCC3(CC[N@H+](CCn4cccn4)C3)CC2)c1 ZINC000369948119 155249039 /nfs/dbraw/zinc/24/90/39/155249039.db2.gz KGJQFVIRMRHAKH-UHFFFAOYSA-N 1 3 328.464 1.568 20 0 EDADHO c1cnn(CCN2CCC3(CC[N@@H+](CCn4cccn4)C3)CC2)c1 ZINC000369948119 155249042 /nfs/dbraw/zinc/24/90/42/155249042.db2.gz KGJQFVIRMRHAKH-UHFFFAOYSA-N 1 3 328.464 1.568 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]1CCCO)c1ccccc1 ZINC000354866712 150002827 /nfs/dbraw/zinc/00/28/27/150002827.db2.gz XCURPUGLEMGXJD-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417027671 304362253 /nfs/dbraw/zinc/36/22/53/304362253.db2.gz UFSXLLSNCLLIRW-ROUUACIJSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417033792 304363659 /nfs/dbraw/zinc/36/36/59/304363659.db2.gz FRMRQAFBVGGUFM-OWCLPIDISA-N 1 3 326.485 1.032 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CNCCO2)C1 ZINC000417033792 304363662 /nfs/dbraw/zinc/36/36/62/304363662.db2.gz FRMRQAFBVGGUFM-OWCLPIDISA-N 1 3 326.485 1.032 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000417040333 304364871 /nfs/dbraw/zinc/36/48/71/304364871.db2.gz KOQOWFFBSVDTSA-HZPDHXFCSA-N 1 3 338.496 1.128 20 0 EDADHO COCC1(CNC(=O)N2CCCN(C(C)C)CC2)CC[NH2+]CC1 ZINC000333641992 292237843 /nfs/dbraw/zinc/23/78/43/292237843.db2.gz IKROHMIYLZFPKW-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000357632654 151093056 /nfs/dbraw/zinc/09/30/56/151093056.db2.gz CBBNVPIAZIVYQH-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153365 151289065 /nfs/dbraw/zinc/28/90/65/151289065.db2.gz IIDAQUANBRFQPQ-NEWSRXKRSA-N 1 3 339.524 1.576 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153365 151289066 /nfs/dbraw/zinc/28/90/66/151289066.db2.gz IIDAQUANBRFQPQ-NEWSRXKRSA-N 1 3 339.524 1.576 20 0 EDADHO CN(CCCOc1ccccc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358505594 151398835 /nfs/dbraw/zinc/39/88/35/151398835.db2.gz KJVPFGRFGQXPDY-UHFFFAOYSA-N 1 3 345.487 1.989 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)nc1 ZINC000360488512 152064717 /nfs/dbraw/zinc/06/47/17/152064717.db2.gz JTHXZGKQJBRBFP-OAHLLOKOSA-N 1 3 327.436 1.366 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360657642 152142210 /nfs/dbraw/zinc/14/22/10/152142210.db2.gz OTVROXJSMLLSMZ-INMHGKMJSA-N 1 3 342.553 1.986 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000360743587 152180427 /nfs/dbraw/zinc/18/04/27/152180427.db2.gz FNYFFYDXHSYMSH-NVXWUHKLSA-N 1 3 340.537 1.551 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000361267927 152349484 /nfs/dbraw/zinc/34/94/84/152349484.db2.gz CKTLYPFQUHORTE-CEXWTWQISA-N 1 3 338.540 1.103 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417148590 304378164 /nfs/dbraw/zinc/37/81/64/304378164.db2.gz HCVVAIPQIWVFHH-SJORKVTESA-N 1 3 347.507 1.624 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417175597 304380248 /nfs/dbraw/zinc/38/02/48/304380248.db2.gz BFOVMLBBCORJCY-QZTJIDSGSA-N 1 3 332.492 1.991 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000363784302 153055970 /nfs/dbraw/zinc/05/59/70/153055970.db2.gz MVTOHYFNVKNPFG-GOEBONIOSA-N 1 3 335.496 1.385 20 0 EDADHO C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C(C)(C)C[NH+](C)C ZINC000364120938 153149534 /nfs/dbraw/zinc/14/95/34/153149534.db2.gz JTZVPQFOFBPFPT-HNSFDTNUSA-N 1 3 325.497 1.611 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CNCCC2(F)F)([NH+](C)C)C1 ZINC000417216913 304385196 /nfs/dbraw/zinc/38/51/96/304385196.db2.gz QBEUQAANNAFNIC-VNHYZAJKSA-N 1 3 332.439 1.793 20 0 EDADHO CCCN1CCN(C2CC[NH+]([C@H](C)CN3CCOCC3)CC2)CC1 ZINC000367672798 154223633 /nfs/dbraw/zinc/22/36/33/154223633.db2.gz ONHCCIVZWYBSBQ-GOSISDBHSA-N 1 3 338.540 1.199 20 0 EDADHO CN(c1ccccc1C[N@@H+]1CC[C@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000367702659 154234971 /nfs/dbraw/zinc/23/49/71/154234971.db2.gz HVWNNGUVNVWLDI-MRXNPFEDSA-N 1 3 344.503 1.914 20 0 EDADHO CN(c1ccccc1C[N@H+]1CC[C@H](CC(N)=O)C1)C1CCN(C)CC1 ZINC000367702659 154234976 /nfs/dbraw/zinc/23/49/76/154234976.db2.gz HVWNNGUVNVWLDI-MRXNPFEDSA-N 1 3 344.503 1.914 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984093 154354486 /nfs/dbraw/zinc/35/44/86/154354486.db2.gz TWTSMGJLIYCDKI-XIRDDKMYSA-N 1 3 347.459 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984093 154354489 /nfs/dbraw/zinc/35/44/89/154354489.db2.gz TWTSMGJLIYCDKI-XIRDDKMYSA-N 1 3 347.459 1.294 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417358318 304394873 /nfs/dbraw/zinc/39/48/73/304394873.db2.gz FIYCHQFAVVYERQ-BBRMVZONSA-N 1 3 336.505 1.997 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)NC[C@H]2C)CC1 ZINC000417547196 304404581 /nfs/dbraw/zinc/40/45/81/304404581.db2.gz NSRHXQJKMBCQCV-UONOGXRCSA-N 1 3 326.485 1.268 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417549579 304404960 /nfs/dbraw/zinc/40/49/60/304404960.db2.gz TZHREFHUPHTGDR-LSDHHAIUSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@H](O)COC(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000373899197 157054262 /nfs/dbraw/zinc/05/42/62/157054262.db2.gz JDMHQRSXTXUMLC-HNNXBMFYSA-N 1 3 335.448 1.544 20 0 EDADHO C[C@H](O)COC(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000373899197 157054264 /nfs/dbraw/zinc/05/42/64/157054264.db2.gz JDMHQRSXTXUMLC-HNNXBMFYSA-N 1 3 335.448 1.544 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(F)CCNC2)cc1 ZINC000378202712 158108007 /nfs/dbraw/zinc/10/80/07/158108007.db2.gz HJEPLBASJMDPAZ-GOSISDBHSA-N 1 3 337.439 1.725 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000077823884 287290930 /nfs/dbraw/zinc/29/09/30/287290930.db2.gz AWEHJSPNYJKXQG-QGZVFWFLSA-N 1 3 336.455 1.948 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418289596 304475023 /nfs/dbraw/zinc/47/50/23/304475023.db2.gz DDMXKGNCTMOMSA-UHFFFAOYSA-N 1 3 339.528 1.189 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350992 /nfs/dbraw/zinc/35/09/92/287350992.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 1 3 334.508 1.844 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350993 /nfs/dbraw/zinc/35/09/93/287350993.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 1 3 334.508 1.844 20 0 EDADHO O=C(NCC1CCN(C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000168091514 226205642 /nfs/dbraw/zinc/20/56/42/226205642.db2.gz BTFISFRHYZLHML-RTBURBONSA-N 1 3 345.487 1.548 20 0 EDADHO CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665762816 452338129 /nfs/dbraw/zinc/33/81/29/452338129.db2.gz QVFHTBBUFQIDJR-WMZOPIPTSA-N 1 3 342.528 1.859 20 0 EDADHO CO[C@@]1(C)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665762816 452338143 /nfs/dbraw/zinc/33/81/43/452338143.db2.gz QVFHTBBUFQIDJR-WMZOPIPTSA-N 1 3 342.528 1.859 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000192796219 272986481 /nfs/dbraw/zinc/98/64/81/272986481.db2.gz MIKMDRYKTCUBPY-SFHVURJKSA-N 1 3 338.540 1.816 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237811476 273013001 /nfs/dbraw/zinc/01/30/01/273013001.db2.gz POILFJIVWNZDJY-IEBWSBKVSA-N 1 3 344.503 1.832 20 0 EDADHO Cc1noc(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663816789 452542934 /nfs/dbraw/zinc/54/29/34/452542934.db2.gz ZKWUXVLWOPZZIS-LBPRGKRZSA-N 1 3 325.457 1.363 20 0 EDADHO Cc1noc(C)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663816789 452542941 /nfs/dbraw/zinc/54/29/41/452542941.db2.gz ZKWUXVLWOPZZIS-LBPRGKRZSA-N 1 3 325.457 1.363 20 0 EDADHO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274783173 268205795 /nfs/dbraw/zinc/20/57/95/268205795.db2.gz PRBWEENHXURJEL-WBVHZDCISA-N 1 3 341.459 1.640 20 0 EDADHO C[C@@H](NCCNC(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274783173 268205798 /nfs/dbraw/zinc/20/57/98/268205798.db2.gz PRBWEENHXURJEL-WBVHZDCISA-N 1 3 341.459 1.640 20 0 EDADHO C[C@@H](NCCNC(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274783173 268205802 /nfs/dbraw/zinc/20/58/02/268205802.db2.gz PRBWEENHXURJEL-WBVHZDCISA-N 1 3 341.459 1.640 20 0 EDADHO CN(CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916853 273271313 /nfs/dbraw/zinc/27/13/13/273271313.db2.gz COWXROQFODJBDQ-MRXNPFEDSA-N 1 3 341.459 1.739 20 0 EDADHO CCCN1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948869 276260319 /nfs/dbraw/zinc/26/03/19/276260319.db2.gz IHIWUOAKBDBOIX-IAGOWNOFSA-N 1 3 325.497 1.770 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[NH2+]CC1CC1 ZINC000286112489 287937930 /nfs/dbraw/zinc/93/79/30/287937930.db2.gz OCJGZNDGALPZMJ-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000423356206 278281981 /nfs/dbraw/zinc/28/19/81/278281981.db2.gz JNUUCOFJYIHUSH-JKSUJKDBSA-N 1 3 347.507 1.737 20 0 EDADHO CC(C)(C)N1CCC([NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC000459721474 278340984 /nfs/dbraw/zinc/34/09/84/278340984.db2.gz WCTKTIDGNRHEOZ-UHFFFAOYSA-N 1 3 339.524 1.720 20 0 EDADHO CC(C)(C)[NH+]1CCC(NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000459721474 278340986 /nfs/dbraw/zinc/34/09/86/278340986.db2.gz WCTKTIDGNRHEOZ-UHFFFAOYSA-N 1 3 339.524 1.720 20 0 EDADHO CC1CCC(N2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000418751067 278522219 /nfs/dbraw/zinc/52/22/19/278522219.db2.gz QFHJMHOXHFCYMJ-YMAMQOFZSA-N 1 3 344.450 1.890 20 0 EDADHO CCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030699 /nfs/dbraw/zinc/03/06/99/279030699.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 1 3 326.485 1.127 20 0 EDADHO CCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030700 /nfs/dbraw/zinc/03/07/00/279030700.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 1 3 326.485 1.127 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111866138 279281374 /nfs/dbraw/zinc/28/13/74/279281374.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCOC ZINC000111866138 279281375 /nfs/dbraw/zinc/28/13/75/279281375.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCSC ZINC000341180823 279302633 /nfs/dbraw/zinc/30/26/33/279302633.db2.gz PUCIMRLFOPNBTG-OAHLLOKOSA-N 1 3 330.542 1.797 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCSC ZINC000341180823 279302634 /nfs/dbraw/zinc/30/26/34/279302634.db2.gz PUCIMRLFOPNBTG-OAHLLOKOSA-N 1 3 330.542 1.797 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000416999024 279363352 /nfs/dbraw/zinc/36/33/52/279363352.db2.gz XJFQVYHIDFDKCY-INIZCTEOSA-N 1 3 347.507 1.361 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000416991698 279363473 /nfs/dbraw/zinc/36/34/73/279363473.db2.gz OPZQOODGFISYCD-INIZCTEOSA-N 1 3 347.507 1.218 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C[C@H](C)O1 ZINC000357171665 288159590 /nfs/dbraw/zinc/15/95/90/288159590.db2.gz HBCHCMCVYKVQPV-NTDBWNAOSA-N 1 3 337.508 1.772 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000375202404 282070528 /nfs/dbraw/zinc/07/05/28/282070528.db2.gz QKRCENQLPQQPIS-HZPDHXFCSA-N 1 3 338.496 1.271 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(C(=O)OC)c(C)n1C ZINC000290994890 288986397 /nfs/dbraw/zinc/98/63/97/288986397.db2.gz AQFCZWYZKTXKDJ-OAHLLOKOSA-N 1 3 325.453 1.567 20 0 EDADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363715210 293019612 /nfs/dbraw/zinc/01/96/12/293019612.db2.gz UNLDUTDMBVEZAB-CWRNSKLLSA-N 1 3 339.505 1.697 20 0 EDADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363715210 293019614 /nfs/dbraw/zinc/01/96/14/293019614.db2.gz UNLDUTDMBVEZAB-CWRNSKLLSA-N 1 3 339.505 1.697 20 0 EDADHO CS(=O)(=O)N1CC[C@@H](CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000374855570 295523096 /nfs/dbraw/zinc/52/30/96/295523096.db2.gz KZUAMHVACVWCKT-INIZCTEOSA-N 1 3 329.510 1.076 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417742158 297113302 /nfs/dbraw/zinc/11/33/02/297113302.db2.gz VTKGBRJFDCIPPX-LSDHHAIUSA-N 1 3 330.476 1.477 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000418864460 304541466 /nfs/dbraw/zinc/54/14/66/304541466.db2.gz QTRKUTYKKARCHP-DLBZAZTESA-N 1 3 348.491 1.285 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000362569793 300225279 /nfs/dbraw/zinc/22/52/79/300225279.db2.gz OWQWRPGLZXESEC-LSDHHAIUSA-N 1 3 325.522 1.662 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000362569793 300225283 /nfs/dbraw/zinc/22/52/83/300225283.db2.gz OWQWRPGLZXESEC-LSDHHAIUSA-N 1 3 325.522 1.662 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000419654761 447324638 /nfs/dbraw/zinc/32/46/38/447324638.db2.gz SETDHIRARAHLKP-BBRMVZONSA-N 1 3 346.475 1.086 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCCNCC1)c1ccccc1 ZINC000419657337 447325942 /nfs/dbraw/zinc/32/59/42/447325942.db2.gz WCUJOAKGAZXULC-OAHLLOKOSA-N 1 3 346.475 1.054 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042285 303166375 /nfs/dbraw/zinc/16/63/75/303166375.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042285 303166376 /nfs/dbraw/zinc/16/63/76/303166376.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000295042285 303166377 /nfs/dbraw/zinc/16/63/77/303166377.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 1 3 331.504 1.724 20 0 EDADHO Cn1c(CNCCN2CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000414859465 447331389 /nfs/dbraw/zinc/33/13/89/447331389.db2.gz AWXBGZNOJXNTRF-UHFFFAOYSA-N 1 3 341.381 1.587 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458373193 447332677 /nfs/dbraw/zinc/33/26/77/447332677.db2.gz RMPYLNCUSHBXMJ-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458373193 447332684 /nfs/dbraw/zinc/33/26/84/447332684.db2.gz RMPYLNCUSHBXMJ-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000422920307 304880348 /nfs/dbraw/zinc/88/03/48/304880348.db2.gz MFUUERJGRZFXQO-XWTMOSNGSA-N 1 3 331.460 1.487 20 0 EDADHO CCN1CCN([C@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035180 /nfs/dbraw/zinc/03/51/80/305035180.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 1 3 330.520 1.830 20 0 EDADHO CCN1CCN([C@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688188 305035181 /nfs/dbraw/zinc/03/51/81/305035181.db2.gz ZBXZRQBDNGJRMP-FQEVSTJZSA-N 1 3 330.520 1.830 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781560 305064916 /nfs/dbraw/zinc/06/49/16/305064916.db2.gz UDDZQRZAUGYCFA-ILZDJORESA-N 1 3 345.487 1.782 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876709 305066739 /nfs/dbraw/zinc/06/67/39/305066739.db2.gz GSBCQUYKXIRJLT-IMJJTQAJSA-N 1 3 344.459 1.450 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411716 305108372 /nfs/dbraw/zinc/10/83/72/305108372.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411716 305108373 /nfs/dbraw/zinc/10/83/73/305108373.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000436491853 305158882 /nfs/dbraw/zinc/15/88/82/305158882.db2.gz XFMNKCCDEYOSJY-UHFFFAOYSA-N 1 3 336.484 1.687 20 0 EDADHO COc1cc(NC(C)=O)ccc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000438990259 305192645 /nfs/dbraw/zinc/19/26/45/305192645.db2.gz XSSPBGRXZOLICH-CYBMUJFWSA-N 1 3 335.448 1.761 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000440981883 305215691 /nfs/dbraw/zinc/21/56/91/305215691.db2.gz KSSUHFLJFBCCLK-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@H](CC[NH3+])C1 ZINC000443067440 305234306 /nfs/dbraw/zinc/23/43/06/305234306.db2.gz GQRQCBYRZOSFSW-CHWSQXEVSA-N 1 3 336.411 1.923 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446293398 305262837 /nfs/dbraw/zinc/26/28/37/305262837.db2.gz XMVUJFKQFVTOLI-FRQCXROJSA-N 1 3 337.508 1.757 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887044 305271368 /nfs/dbraw/zinc/27/13/68/305271368.db2.gz NGTNHHRABKFKCF-UHFFFAOYSA-N 1 3 347.507 1.529 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000448262445 305295028 /nfs/dbraw/zinc/29/50/28/305295028.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 1 3 340.512 1.205 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000448262445 305295029 /nfs/dbraw/zinc/29/50/29/305295029.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[NH+](C)C ZINC000455441161 305441813 /nfs/dbraw/zinc/44/18/13/305441813.db2.gz MEFHSUQERSDPJF-HNNXBMFYSA-N 1 3 348.491 1.393 20 0 EDADHO CN(C)C(=O)[C@@H]1CCC[C@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425903834 447354610 /nfs/dbraw/zinc/35/46/10/447354610.db2.gz WVHXDXYKNHNTKF-CABCVRRESA-N 1 3 334.464 1.878 20 0 EDADHO Cc1[nH]nc2ncc(CN3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000520369381 305778730 /nfs/dbraw/zinc/77/87/30/305778730.db2.gz VDRAQMLYJIXZRW-IAGOWNOFSA-N 1 3 329.448 1.985 20 0 EDADHO O=C(NC1CCN(CCc2ccncc2)CC1)C12CCC[NH+]1CCC2 ZINC000377795458 447360495 /nfs/dbraw/zinc/36/04/95/447360495.db2.gz DEGRGUKJGBXCDE-UHFFFAOYSA-N 1 3 342.487 1.833 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529305695 305907517 /nfs/dbraw/zinc/90/75/17/305907517.db2.gz JSNINOMPQHBAPN-OAHLLOKOSA-N 1 3 338.496 1.460 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000414935596 447364464 /nfs/dbraw/zinc/36/44/64/447364464.db2.gz BBZQRGNMKKPLSI-BBRMVZONSA-N 1 3 332.448 1.189 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000533610616 306001803 /nfs/dbraw/zinc/00/18/03/306001803.db2.gz ZAFIHSOZPWKGMQ-ARFHVFGLSA-N 1 3 338.496 1.079 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026558 /nfs/dbraw/zinc/02/65/58/306026558.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 1 3 342.487 1.652 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)[C@@H]2CN3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026559 /nfs/dbraw/zinc/02/65/59/306026559.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 1 3 342.487 1.652 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000544587828 306076987 /nfs/dbraw/zinc/07/69/87/306076987.db2.gz KMQORRXVKZTILL-KRWDZBQOSA-N 1 3 325.497 1.868 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000546732774 306095604 /nfs/dbraw/zinc/09/56/04/306095604.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000546732774 306095605 /nfs/dbraw/zinc/09/56/05/306095605.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 1 3 339.528 1.042 20 0 EDADHO CC(=O)[C@@H]1C[C@H](C(=O)N(CCCN(C)C)CCC[NH+](C)C)C1(C)C ZINC000548365062 306125768 /nfs/dbraw/zinc/12/57/68/306125768.db2.gz QGYRRIULXWRNMN-DLBZAZTESA-N 1 3 339.524 1.970 20 0 EDADHO C[C@@H](Cn1ncc2ccccc21)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556829953 306219297 /nfs/dbraw/zinc/21/92/97/306219297.db2.gz VNRZLWIBEXTAHQ-INIZCTEOSA-N 1 3 345.491 1.624 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707193 447387418 /nfs/dbraw/zinc/38/74/18/447387418.db2.gz CXOCQYWAIBNJNK-SJLPKXTDSA-N 1 3 349.450 1.532 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458520113 447397547 /nfs/dbraw/zinc/39/75/47/447397547.db2.gz WPOXBKMPIRSJGX-ARFHVFGLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cscn1 ZINC000665639977 453778622 /nfs/dbraw/zinc/77/86/22/453778622.db2.gz KHLKXQQLOPGVNT-ZDUSSCGKSA-N 1 3 327.498 1.557 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)Cc1cscn1 ZINC000665639977 453778627 /nfs/dbraw/zinc/77/86/27/453778627.db2.gz KHLKXQQLOPGVNT-ZDUSSCGKSA-N 1 3 327.498 1.557 20 0 EDADHO CN(C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000378225233 447410101 /nfs/dbraw/zinc/41/01/01/447410101.db2.gz CZRIHVGWVWABDL-ZHALLVOQSA-N 1 3 348.491 1.216 20 0 EDADHO O=C(CN1CCN(C2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000045768898 441033165 /nfs/dbraw/zinc/03/31/65/441033165.db2.gz RFXBLYSBLJBVRS-UHFFFAOYSA-N 1 3 334.508 1.290 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105205377 441242464 /nfs/dbraw/zinc/24/24/64/441242464.db2.gz WOJMFVVKFNVHII-QGZVFWFLSA-N 1 3 348.491 1.863 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000047978333 441245771 /nfs/dbraw/zinc/24/57/71/441245771.db2.gz DROXAVKZIADPRW-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO C[NH+](C)CCC1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000064515329 441382522 /nfs/dbraw/zinc/38/25/22/441382522.db2.gz UATOGMSVFXGFDX-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO COc1ccc(Br)cc1CNCCN1CC[NH2+]CC1 ZINC000106958898 441394856 /nfs/dbraw/zinc/39/48/56/441394856.db2.gz JZJDJLSJZWWDMX-UHFFFAOYSA-N 1 3 328.254 1.453 20 0 EDADHO COc1cccc([C@H]2C[C@@H]2C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000106773117 441368597 /nfs/dbraw/zinc/36/85/97/441368597.db2.gz NYBWAJYSWZNJAV-MSOLQXFVSA-N 1 3 333.476 1.751 20 0 EDADHO O=C(NCCN1CCCCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074219951 441410137 /nfs/dbraw/zinc/41/01/37/441410137.db2.gz IYWRURWPAKKLRG-UHFFFAOYSA-N 1 3 333.480 1.585 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107835317 441431619 /nfs/dbraw/zinc/43/16/19/441431619.db2.gz BHHASEOASZGLBU-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085361763 441434241 /nfs/dbraw/zinc/43/42/41/441434241.db2.gz ZWVARZLUVNXROE-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO CO[C@@]1(C)C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000074943054 441482057 /nfs/dbraw/zinc/48/20/57/441482057.db2.gz CGHDVNYNOAJCGI-PBHICJAKSA-N 1 3 328.501 1.325 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)CN(C)Cc2ccccc2)CC1 ZINC000112922272 441568359 /nfs/dbraw/zinc/56/83/59/441568359.db2.gz NLJARYSGPVQDEQ-GOSISDBHSA-N 1 3 346.519 1.508 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccnc1 ZINC000173694903 441825609 /nfs/dbraw/zinc/82/56/09/441825609.db2.gz ZSCSPVWNIJFXNJ-GOSISDBHSA-N 1 3 347.507 1.682 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCc1cccnc1 ZINC000173694903 441825612 /nfs/dbraw/zinc/82/56/12/441825612.db2.gz ZSCSPVWNIJFXNJ-GOSISDBHSA-N 1 3 347.507 1.682 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCOCC1 ZINC000174487641 441930189 /nfs/dbraw/zinc/93/01/89/441930189.db2.gz YGUVEPLGVKXKID-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1CCOCC1 ZINC000174487641 441930192 /nfs/dbraw/zinc/93/01/92/441930192.db2.gz YGUVEPLGVKXKID-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000151949654 442144840 /nfs/dbraw/zinc/14/48/40/442144840.db2.gz CJKZHFGSUKQYNE-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](C[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)N1CCN(C)CC1 ZINC000127328474 442193964 /nfs/dbraw/zinc/19/39/64/442193964.db2.gz RKLKTDPQFYPMCS-QZTJIDSGSA-N 1 3 348.535 1.914 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127008818 442161541 /nfs/dbraw/zinc/16/15/41/442161541.db2.gz CEBVGICBLBZXHB-CVEARBPZSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCS1 ZINC000127008818 442161546 /nfs/dbraw/zinc/16/15/46/442161546.db2.gz CEBVGICBLBZXHB-CVEARBPZSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000128510670 442270736 /nfs/dbraw/zinc/27/07/36/442270736.db2.gz HEFBHJMCUKJMKJ-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000128510670 442270739 /nfs/dbraw/zinc/27/07/39/442270739.db2.gz HEFBHJMCUKJMKJ-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)CN1C1CC1 ZINC000177096472 442295805 /nfs/dbraw/zinc/29/58/05/442295805.db2.gz AVWWXKAZWAEXSX-HUUCEWRRSA-N 1 3 331.460 1.982 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000154437101 442339407 /nfs/dbraw/zinc/33/94/07/442339407.db2.gz XGFUZZIREQSTRS-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000177875429 442393106 /nfs/dbraw/zinc/39/31/06/442393106.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000177875429 442393108 /nfs/dbraw/zinc/39/31/08/442393108.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CCC[C@H](C(=O)N1CCN(C2CC[NH+](CCC)CC2)CC1)N(C)C ZINC000156646347 442505538 /nfs/dbraw/zinc/50/55/38/442505538.db2.gz KWTGPIOAWBWMDK-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO O=C(C[C@@H]1CCC[NH2+]1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000178875749 442511429 /nfs/dbraw/zinc/51/14/29/442511429.db2.gz QVKHBNCCMGXSDF-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246723617 442806919 /nfs/dbraw/zinc/80/69/19/442806919.db2.gz UWKCZSHDBTZWQD-OWCLPIDISA-N 1 3 325.497 1.674 20 0 EDADHO C[C@H](C(=O)N(C)C)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246723617 442806921 /nfs/dbraw/zinc/80/69/21/442806921.db2.gz UWKCZSHDBTZWQD-OWCLPIDISA-N 1 3 325.497 1.674 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(SC)CC1 ZINC000195131187 442987790 /nfs/dbraw/zinc/98/77/90/442987790.db2.gz KPLDHAFMZBHQGP-HNNXBMFYSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(SC)CC1 ZINC000195131187 442987797 /nfs/dbraw/zinc/98/77/97/442987797.db2.gz KPLDHAFMZBHQGP-HNNXBMFYSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237469829 443172424 /nfs/dbraw/zinc/17/24/24/443172424.db2.gz PGWQYTNTEYYRDD-KGLIPLIRSA-N 1 3 334.468 1.053 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185404104 443194558 /nfs/dbraw/zinc/19/45/58/443194558.db2.gz UPFVQFNRYDUTKQ-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cnn(C)c1 ZINC000268936151 443152708 /nfs/dbraw/zinc/15/27/08/443152708.db2.gz YQXQGWDWPZFIIZ-LZQZEXGQSA-N 1 3 328.460 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1cnn(C)c1 ZINC000268936151 443152713 /nfs/dbraw/zinc/15/27/13/443152713.db2.gz YQXQGWDWPZFIIZ-LZQZEXGQSA-N 1 3 328.460 1.954 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236995602 443154585 /nfs/dbraw/zinc/15/45/85/443154585.db2.gz ZBWFLLMPIZZXPK-KRWDZBQOSA-N 1 3 344.503 1.948 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)[NH+](C)C)CC2)c1 ZINC000266782556 443239774 /nfs/dbraw/zinc/23/97/74/443239774.db2.gz CPNZZHPECXRCSO-KRWDZBQOSA-N 1 3 332.492 1.573 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663081 443243093 /nfs/dbraw/zinc/24/30/93/443243093.db2.gz DJOCBPLOAOVPIZ-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663081 443243096 /nfs/dbraw/zinc/24/30/96/443243096.db2.gz DJOCBPLOAOVPIZ-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCCN2)[C@H](C)C1 ZINC000262758468 443210545 /nfs/dbraw/zinc/21/05/45/443210545.db2.gz ICLLMPJZLVWGHU-PMPSAXMXSA-N 1 3 343.537 1.335 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCCN2)[C@H](C)C1 ZINC000262758468 443210549 /nfs/dbraw/zinc/21/05/49/443210549.db2.gz ICLLMPJZLVWGHU-PMPSAXMXSA-N 1 3 343.537 1.335 20 0 EDADHO CC[NH+]1CCC(NC(=O)CNC2(CC(=O)OC)CCCC2)CC1 ZINC000411657450 319192764 /nfs/dbraw/zinc/19/27/64/319192764.db2.gz HOJKPFBIZSQRSK-UHFFFAOYSA-N 1 3 325.453 1.052 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411689716 319196032 /nfs/dbraw/zinc/19/60/32/319196032.db2.gz GDZJZUYVVZQSIJ-UYAOXDASSA-N 1 3 344.503 1.622 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H]2CNCCO2)cc1 ZINC000269255289 443253095 /nfs/dbraw/zinc/25/30/95/443253095.db2.gz JHJVBBAZMNVDKT-KRWDZBQOSA-N 1 3 335.448 1.012 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(O)c1 ZINC000414205184 319319695 /nfs/dbraw/zinc/31/96/95/319319695.db2.gz XBBYQMPJTMCSAI-INIZCTEOSA-N 1 3 333.476 1.839 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265420 443258194 /nfs/dbraw/zinc/25/81/94/443258194.db2.gz ORRDKEVYGXHTCH-NJAFHUGGSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269265420 443258198 /nfs/dbraw/zinc/25/81/98/443258198.db2.gz ORRDKEVYGXHTCH-NJAFHUGGSA-N 1 3 331.460 1.534 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000414674615 319339962 /nfs/dbraw/zinc/33/99/62/319339962.db2.gz KVKCSRSLQKSNTA-CVEARBPZSA-N 1 3 346.475 1.768 20 0 EDADHO COc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415084871 319346203 /nfs/dbraw/zinc/34/62/03/319346203.db2.gz RSNOBPQELOUNNK-GFCCVEGCSA-N 1 3 325.840 1.636 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221999 319353195 /nfs/dbraw/zinc/35/31/95/319353195.db2.gz PSIROSHJODXLFG-CJNGLKHVSA-N 1 3 330.432 1.169 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415749519 319369823 /nfs/dbraw/zinc/36/98/23/319369823.db2.gz RDDJAKKUXBXKFD-HZPDHXFCSA-N 1 3 344.459 1.063 20 0 EDADHO CO[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000191361364 443284874 /nfs/dbraw/zinc/28/48/74/443284874.db2.gz RBDFYXXLRITILY-NVXWUHKLSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)CCCO1 ZINC000278420310 443324992 /nfs/dbraw/zinc/32/49/92/443324992.db2.gz GCTZMRHXFSBSOU-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)CCCO1 ZINC000278420310 443324995 /nfs/dbraw/zinc/32/49/95/443324995.db2.gz GCTZMRHXFSBSOU-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO CN(C)CCN(C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000267089013 443338364 /nfs/dbraw/zinc/33/83/64/443338364.db2.gz UHXWRWBBOQRKPG-GOSISDBHSA-N 1 3 332.492 1.754 20 0 EDADHO CN(C)CCN(C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000267089013 443338366 /nfs/dbraw/zinc/33/83/66/443338366.db2.gz UHXWRWBBOQRKPG-GOSISDBHSA-N 1 3 332.492 1.754 20 0 EDADHO C[C@H](NCCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000422739115 319735875 /nfs/dbraw/zinc/73/58/75/319735875.db2.gz KNVOZKYQLKMQPO-AAEUAGOBSA-N 1 3 340.265 1.767 20 0 EDADHO COC[C@@H](NCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423201306 319756381 /nfs/dbraw/zinc/75/63/81/319756381.db2.gz ICBJXIXESQSIOQ-OAHLLOKOSA-N 1 3 331.382 1.888 20 0 EDADHO CSCC[C@H](N)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000272280652 443578538 /nfs/dbraw/zinc/57/85/38/443578538.db2.gz BQMMRDNAWDCNRY-INIZCTEOSA-N 1 3 339.505 1.366 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NC[C@H](O)C[NH+]1CCCC1 ZINC000274390144 443605214 /nfs/dbraw/zinc/60/52/14/443605214.db2.gz PAXDNCZIYRJFQH-CABCVRRESA-N 1 3 345.443 1.108 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350396 319976664 /nfs/dbraw/zinc/97/66/64/319976664.db2.gz FCIUNHYCKHKHJN-HKUYNNGSSA-N 1 3 346.519 1.822 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCCCCC[NH+]2CCCC2)CCSC1 ZINC000454601652 320290666 /nfs/dbraw/zinc/29/06/66/320290666.db2.gz KBWDAMVTCFIDOO-KRWDZBQOSA-N 1 3 342.553 1.989 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(OCCN(C)C)cc1 ZINC000280844084 443756665 /nfs/dbraw/zinc/75/66/65/443756665.db2.gz MFXUHMQMEBBZLN-JQHSSLGASA-N 1 3 336.476 1.923 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000285540683 444022740 /nfs/dbraw/zinc/02/27/40/444022740.db2.gz BVMSXQOGFSMESB-HZPDHXFCSA-N 1 3 348.491 1.080 20 0 EDADHO CC1CC[NH+](C[C@H](O)CN[C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)CC1 ZINC000561271988 321038401 /nfs/dbraw/zinc/03/84/01/321038401.db2.gz CUDPGWNJNAIPGK-MLHJIOFPSA-N 1 3 335.496 1.690 20 0 EDADHO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000562365076 321053948 /nfs/dbraw/zinc/05/39/48/321053948.db2.gz HCSGEVPKPOXMSX-IAGOWNOFSA-N 1 3 331.460 1.400 20 0 EDADHO C[C@H](CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000562987217 321085443 /nfs/dbraw/zinc/08/54/43/321085443.db2.gz QXJUMZSVMXJOEF-ZJPYXAASSA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)C[C@@H](CNC(=O)COC1CNC1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074554 321093709 /nfs/dbraw/zinc/09/37/09/321093709.db2.gz GHVQVWNMHAAAEM-RDJZCZTQSA-N 1 3 333.476 1.857 20 0 EDADHO Cc1ccccc1OC[C@@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000565476790 321187968 /nfs/dbraw/zinc/18/79/68/321187968.db2.gz PJJQLMZGTQDZRL-ROUUACIJSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccccc1OC[C@@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000565476790 321187969 /nfs/dbraw/zinc/18/79/69/321187969.db2.gz PJJQLMZGTQDZRL-ROUUACIJSA-N 1 3 336.476 1.825 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000566176486 321221253 /nfs/dbraw/zinc/22/12/53/321221253.db2.gz NPBXDICCWJFMRZ-CABCVRRESA-N 1 3 325.522 1.852 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCN1CC[NH2+]CC1)c1ccccc1 ZINC000568392669 321289521 /nfs/dbraw/zinc/28/95/21/321289521.db2.gz VCSUAMJCBXEJCQ-SFHVURJKSA-N 1 3 330.476 1.176 20 0 EDADHO Cc1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C2CC2)n1 ZINC000568587047 321297805 /nfs/dbraw/zinc/29/78/05/321297805.db2.gz BGXBPLKSOBQVEY-UHFFFAOYSA-N 1 3 334.468 1.620 20 0 EDADHO [NH3+]C1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000568624563 321299711 /nfs/dbraw/zinc/29/97/11/321299711.db2.gz PDEKZWPOXJUZTH-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000570663758 321352905 /nfs/dbraw/zinc/35/29/05/321352905.db2.gz XMYFFQDZYAHTPL-HNNXBMFYSA-N 1 3 332.448 1.192 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000294639102 444131733 /nfs/dbraw/zinc/13/17/33/444131733.db2.gz LYRGMAZQKWWTEC-XLNGHYISSA-N 1 3 346.427 1.204 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000294639102 444131737 /nfs/dbraw/zinc/13/17/37/444131737.db2.gz LYRGMAZQKWWTEC-XLNGHYISSA-N 1 3 346.427 1.204 20 0 EDADHO C[C@]1(C2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)NC(=O)NC1=O ZINC000574697793 321497116 /nfs/dbraw/zinc/49/71/16/321497116.db2.gz PXGDOIVEILUGBQ-LJQANCHMSA-N 1 3 342.443 1.142 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)CCC(=O)OC)cc1 ZINC000289610276 444181046 /nfs/dbraw/zinc/18/10/46/444181046.db2.gz AQPLHEIJFZFELE-INIZCTEOSA-N 1 3 335.448 1.425 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000337692475 444355777 /nfs/dbraw/zinc/35/57/77/444355777.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 1 3 326.485 1.128 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000337692475 444355779 /nfs/dbraw/zinc/35/57/79/444355779.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)N1CCN(C)CC1 ZINC000325244067 444363496 /nfs/dbraw/zinc/36/34/96/444363496.db2.gz YLZPLCWDABAYMZ-KURKYZTESA-N 1 3 338.540 1.400 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000320800302 444332503 /nfs/dbraw/zinc/33/25/03/444332503.db2.gz PIPCUGVCVMGHLF-UHFFFAOYSA-N 1 3 334.445 1.967 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000327526546 444383437 /nfs/dbraw/zinc/38/34/37/444383437.db2.gz IYDJLHOLWFEYOR-NEWSRXKRSA-N 1 3 346.519 1.711 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000329003092 444441339 /nfs/dbraw/zinc/44/13/39/444441339.db2.gz HJQQOHBONXLORR-NPNMTCQASA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C ZINC000329003092 444441341 /nfs/dbraw/zinc/44/13/41/444441341.db2.gz HJQQOHBONXLORR-NPNMTCQASA-N 1 3 345.491 1.687 20 0 EDADHO C[C@H](NC(=O)NCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580420867 322048193 /nfs/dbraw/zinc/04/81/93/322048193.db2.gz XKEQTRSTQZBBDJ-RDJZCZTQSA-N 1 3 345.491 1.985 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000340830787 444532265 /nfs/dbraw/zinc/53/22/65/444532265.db2.gz ZZDROTPJWAEEHY-INIZCTEOSA-N 1 3 328.501 1.184 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000340830787 444532267 /nfs/dbraw/zinc/53/22/67/444532267.db2.gz ZZDROTPJWAEEHY-INIZCTEOSA-N 1 3 328.501 1.184 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000340992585 444620176 /nfs/dbraw/zinc/62/01/76/444620176.db2.gz LAQVWUNSXSHEBF-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3CNCCO3)CC2)CC1 ZINC000333432682 444668607 /nfs/dbraw/zinc/66/86/07/444668607.db2.gz UVIXOAAYLBEMLH-OFLPRAFFSA-N 1 3 338.496 1.317 20 0 EDADHO COC(=O)[C@@](C)(O)CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934648 444679260 /nfs/dbraw/zinc/67/92/60/444679260.db2.gz HYTQIDPDVZTIRF-LPHOPBHVSA-N 1 3 334.460 1.801 20 0 EDADHO COC(=O)[C@@](C)(O)CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934648 444679261 /nfs/dbraw/zinc/67/92/61/444679261.db2.gz HYTQIDPDVZTIRF-LPHOPBHVSA-N 1 3 334.460 1.801 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636652 /nfs/dbraw/zinc/63/66/52/444636652.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 1 3 342.528 1.314 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636657 /nfs/dbraw/zinc/63/66/57/444636657.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 1 3 342.528 1.314 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636660 /nfs/dbraw/zinc/63/66/60/444636660.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 1 3 342.528 1.314 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636664 /nfs/dbraw/zinc/63/66/64/444636664.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 1 3 342.528 1.314 20 0 EDADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343973810 444702644 /nfs/dbraw/zinc/70/26/44/444702644.db2.gz GYXFBBGFSXMNAN-MISYRCLQSA-N 1 3 331.504 1.548 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341199320 444724606 /nfs/dbraw/zinc/72/46/06/444724606.db2.gz KCEMMDLANOIXCL-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000342581114 444755211 /nfs/dbraw/zinc/75/52/11/444755211.db2.gz FRIHWFSBNLIRLE-UHFFFAOYSA-N 1 3 330.476 1.828 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)CC(F)(F)F ZINC000336923642 444854948 /nfs/dbraw/zinc/85/49/48/444854948.db2.gz SQYQDGAYTVEEDC-CYBMUJFWSA-N 1 3 338.418 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)CC(F)(F)F ZINC000336923642 444854950 /nfs/dbraw/zinc/85/49/50/444854950.db2.gz SQYQDGAYTVEEDC-CYBMUJFWSA-N 1 3 338.418 1.948 20 0 EDADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CCCC1 ZINC000342950673 444961868 /nfs/dbraw/zinc/96/18/68/444961868.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CCCN1C1CCCC1 ZINC000342950673 444961871 /nfs/dbraw/zinc/96/18/71/444961871.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 1 3 337.508 1.747 20 0 EDADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337485526 445101374 /nfs/dbraw/zinc/10/13/74/445101374.db2.gz YLYGGCFTMVBGTB-IAGOWNOFSA-N 1 3 325.497 1.534 20 0 EDADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C ZINC000337485526 445101376 /nfs/dbraw/zinc/10/13/76/445101376.db2.gz YLYGGCFTMVBGTB-IAGOWNOFSA-N 1 3 325.497 1.534 20 0 EDADHO CCN(CC)CC(=O)N1[C@H](C)CN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000337593604 445156943 /nfs/dbraw/zinc/15/69/43/445156943.db2.gz JGQPJOARQAYUJB-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCN(CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)[C@@H](C)C1 ZINC000337593604 445156948 /nfs/dbraw/zinc/15/69/48/445156948.db2.gz JGQPJOARQAYUJB-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CN1CCC(CNC(=O)[C@@H](N)CC(F)F)([NH+]2CCCCC2)CC1 ZINC000345693831 445196795 /nfs/dbraw/zinc/19/67/95/445196795.db2.gz OZZXNJOVQUXABH-ZDUSSCGKSA-N 1 3 332.439 1.035 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCCN1C ZINC000345735018 445197645 /nfs/dbraw/zinc/19/76/45/445197645.db2.gz CYUWFZCGILCUQB-GDBMZVCRSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)ccn1 ZINC000355444694 445460789 /nfs/dbraw/zinc/46/07/89/445460789.db2.gz NHDGEYWRVRBFKL-QGZVFWFLSA-N 1 3 348.491 1.903 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)ccn1 ZINC000355444694 445460791 /nfs/dbraw/zinc/46/07/91/445460791.db2.gz NHDGEYWRVRBFKL-QGZVFWFLSA-N 1 3 348.491 1.903 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nn(C)c1OC ZINC000349071425 445494315 /nfs/dbraw/zinc/49/43/15/445494315.db2.gz GHHHPBNGGWADAN-INIZCTEOSA-N 1 3 337.512 1.585 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(C)nn(C)c1OC ZINC000349071425 445494318 /nfs/dbraw/zinc/49/43/18/445494318.db2.gz GHHHPBNGGWADAN-INIZCTEOSA-N 1 3 337.512 1.585 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000360121668 445578666 /nfs/dbraw/zinc/57/86/66/445578666.db2.gz AHMYEJYWILRJSK-JKSUJKDBSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000360121668 445578670 /nfs/dbraw/zinc/57/86/70/445578670.db2.gz AHMYEJYWILRJSK-JKSUJKDBSA-N 1 3 328.501 1.467 20 0 EDADHO COCC[N@H+](C)CCCN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000360037553 445539648 /nfs/dbraw/zinc/53/96/48/445539648.db2.gz DHRLVKGVWYEBMQ-AZUAARDMSA-N 1 3 349.519 1.834 20 0 EDADHO COCC[N@@H+](C)CCCN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000360037553 445539653 /nfs/dbraw/zinc/53/96/53/445539653.db2.gz DHRLVKGVWYEBMQ-AZUAARDMSA-N 1 3 349.519 1.834 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000362768217 445540655 /nfs/dbraw/zinc/54/06/55/445540655.db2.gz CZHPNAAPUULVNE-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)C(N)C(F)(F)F)CCCC2)CC1 ZINC000353433045 445599889 /nfs/dbraw/zinc/59/98/89/445599889.db2.gz SYXLMSTZOHMAFJ-GFCCVEGCSA-N 1 3 337.386 1.416 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(N)C(F)(F)F)Cc1ccccc1 ZINC000353437045 445601812 /nfs/dbraw/zinc/60/18/12/445601812.db2.gz YHNAAHZKZFFISP-KBPBESRZSA-N 1 3 331.382 1.945 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N1CCN(C)CC1 ZINC000358466601 445621581 /nfs/dbraw/zinc/62/15/81/445621581.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 1 3 341.544 1.286 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N1CCN(C)CC1 ZINC000358466601 445621583 /nfs/dbraw/zinc/62/15/83/445621583.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 1 3 341.544 1.286 20 0 EDADHO COc1ccc(NC(=O)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358503025 445622327 /nfs/dbraw/zinc/62/23/27/445622327.db2.gz DKTWQGJLPZGJJF-UHFFFAOYSA-N 1 3 346.431 1.419 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353414787 445594038 /nfs/dbraw/zinc/59/40/38/445594038.db2.gz LGWKUWKLNGQZFY-IRXDYDNUSA-N 1 3 325.497 1.460 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353414787 445594044 /nfs/dbraw/zinc/59/40/44/445594044.db2.gz LGWKUWKLNGQZFY-IRXDYDNUSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000360248144 445654807 /nfs/dbraw/zinc/65/48/07/445654807.db2.gz GECHXGAIIIFTBC-INMHGKMJSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000360248144 445654808 /nfs/dbraw/zinc/65/48/08/445654808.db2.gz GECHXGAIIIFTBC-INMHGKMJSA-N 1 3 342.553 1.843 20 0 EDADHO COCCN1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358581129 445660619 /nfs/dbraw/zinc/66/06/19/445660619.db2.gz AHFNWRWHBLMHGA-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000356216431 445679635 /nfs/dbraw/zinc/67/96/35/445679635.db2.gz BEQGUQZXJSSZQT-IAGOWNOFSA-N 1 3 342.528 1.574 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349914569 445719732 /nfs/dbraw/zinc/71/97/32/445719732.db2.gz TVMHSEVHKJLVSO-IAGOWNOFSA-N 1 3 325.497 1.820 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](CO)O2)CC1 ZINC000353683397 445705065 /nfs/dbraw/zinc/70/50/65/445705065.db2.gz FMAACUIELQPHEB-QZTJIDSGSA-N 1 3 333.476 1.458 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)[NH+]1CCCC1 ZINC000361288020 445758418 /nfs/dbraw/zinc/75/84/18/445758418.db2.gz NSKMWYQLUMDNQM-ULQDDVLXSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](C1CC1)N1CCCC1 ZINC000353797027 445760102 /nfs/dbraw/zinc/76/01/02/445760102.db2.gz WSKOWPXJINKRPQ-QGZVFWFLSA-N 1 3 335.492 1.622 20 0 EDADHO C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1CCCCCC1 ZINC000356483654 445815933 /nfs/dbraw/zinc/81/59/33/445815933.db2.gz UOXBKCDVIOBKOU-INIZCTEOSA-N 1 3 348.491 1.903 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356534326 445846572 /nfs/dbraw/zinc/84/65/72/445846572.db2.gz PRTWJWLBDDKCSW-UHFFFAOYSA-N 1 3 349.479 1.104 20 0 EDADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350620289 445857175 /nfs/dbraw/zinc/85/71/75/445857175.db2.gz VEQCVMRYIFNMHZ-HNNXBMFYSA-N 1 3 340.512 1.023 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359047220 445908863 /nfs/dbraw/zinc/90/88/63/445908863.db2.gz VYMPYNFCWLQEFP-DLBZAZTESA-N 1 3 342.528 1.907 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359047220 445908869 /nfs/dbraw/zinc/90/88/69/445908869.db2.gz VYMPYNFCWLQEFP-DLBZAZTESA-N 1 3 342.528 1.907 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000361804261 445958790 /nfs/dbraw/zinc/95/87/90/445958790.db2.gz PMJTVYJVYCGNHJ-BBWFWOEESA-N 1 3 337.512 1.086 20 0 EDADHO CCC[NH+]1CCC(NC2CCN(c3nccn(CC)c3=O)CC2)CC1 ZINC000365110647 446032037 /nfs/dbraw/zinc/03/20/37/446032037.db2.gz QARYIFDKUQTAIU-UHFFFAOYSA-N 1 3 347.507 1.696 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000583021613 325982101 /nfs/dbraw/zinc/98/21/01/325982101.db2.gz HYJBAGUEYKIGFU-ZWKOTPCHSA-N 1 3 333.476 1.676 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)NCCC[NH+](C)C)C1 ZINC000366361790 446173803 /nfs/dbraw/zinc/17/38/03/446173803.db2.gz VOVMSAMAJQPYRG-UHFFFAOYSA-N 1 3 332.448 1.071 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000359526525 446276383 /nfs/dbraw/zinc/27/63/83/446276383.db2.gz VHOYMHCZVQARGA-BRWVUGGUSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000359526525 446276387 /nfs/dbraw/zinc/27/63/87/446276387.db2.gz VHOYMHCZVQARGA-BRWVUGGUSA-N 1 3 325.497 1.676 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417935267 446391451 /nfs/dbraw/zinc/39/14/51/446391451.db2.gz GOLPQBSTMNZKBP-OWSLCNJRSA-N 1 3 328.460 1.683 20 0 EDADHO CC(C)(CNC(=O)NCCCNCc1cccnc1)C[NH+]1CCCC1 ZINC000418070488 446429658 /nfs/dbraw/zinc/42/96/58/446429658.db2.gz UGSXDZAHIJKODJ-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(N)Cc3ccccc3C2)C1 ZINC000370776263 446435750 /nfs/dbraw/zinc/43/57/50/446435750.db2.gz ZRVMMWXLBCSRSE-HOTGVXAUSA-N 1 3 329.488 1.967 20 0 EDADHO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418001756 446412545 /nfs/dbraw/zinc/41/25/45/446412545.db2.gz XCWODZHDHLGINT-KRWDZBQOSA-N 1 3 348.491 1.380 20 0 EDADHO O=C1[C@@H](N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000420295024 446457441 /nfs/dbraw/zinc/45/74/41/446457441.db2.gz BUZABHWKGRTLNI-HKUYNNGSSA-N 1 3 342.487 1.409 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418213291 446460035 /nfs/dbraw/zinc/46/00/35/446460035.db2.gz VYEIRYZSCLGATJ-PBHICJAKSA-N 1 3 336.480 1.984 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C[NH3+] ZINC000420298318 446462076 /nfs/dbraw/zinc/46/20/76/446462076.db2.gz ZWMDDUDHDHFZTC-BPQIPLTHSA-N 1 3 332.492 1.465 20 0 EDADHO COc1ccccc1CCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420311554 446474960 /nfs/dbraw/zinc/47/49/60/446474960.db2.gz NOJPDVLKSRJCRP-KRWDZBQOSA-N 1 3 333.476 1.947 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000420312038 446476240 /nfs/dbraw/zinc/47/62/40/446476240.db2.gz HPYZLNNLXJJAMV-SJLPKXTDSA-N 1 3 347.503 1.923 20 0 EDADHO COCc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321942 446487245 /nfs/dbraw/zinc/48/72/45/446487245.db2.gz DGSPOZUYFVQNII-RTBURBONSA-N 1 3 345.487 1.771 20 0 EDADHO C[NH+](C)CCC1CCN(C(=O)NCCCNCc2cccnc2)CC1 ZINC000418330548 446501895 /nfs/dbraw/zinc/50/18/95/446501895.db2.gz QDZJMAMTMQNWMK-UHFFFAOYSA-N 1 3 347.507 1.935 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000367072473 446501993 /nfs/dbraw/zinc/50/19/93/446501993.db2.gz GLTYHLRHWNLWCZ-YYIAUSFCSA-N 1 3 335.492 1.382 20 0 EDADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333264 446503477 /nfs/dbraw/zinc/50/34/77/446503477.db2.gz SNERDOVHDOBSNI-IPELMVKDSA-N 1 3 345.487 1.862 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420334394 446504113 /nfs/dbraw/zinc/50/41/13/446504113.db2.gz UISVRYLMXBZGAV-XDNAFOTISA-N 1 3 335.492 1.478 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396445 446516098 /nfs/dbraw/zinc/51/60/98/446516098.db2.gz RPBDHSKCJSWBHC-XHDPSFHLSA-N 1 3 345.413 1.335 20 0 EDADHO Cc1cc(C2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n[nH]1 ZINC000420382806 446558857 /nfs/dbraw/zinc/55/88/57/446558857.db2.gz YRSDWUJJNWRUHU-HKUYNNGSSA-N 1 3 328.460 1.828 20 0 EDADHO Cc1cc(C2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)[nH]n1 ZINC000420382806 446558866 /nfs/dbraw/zinc/55/88/66/446558866.db2.gz YRSDWUJJNWRUHU-HKUYNNGSSA-N 1 3 328.460 1.828 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418487109 446562667 /nfs/dbraw/zinc/56/26/67/446562667.db2.gz HKZUTSMGYSSTPL-MWABVPJASA-N 1 3 328.460 1.995 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403588 446519683 /nfs/dbraw/zinc/51/96/83/446519683.db2.gz YPOCYBPFNJTGFI-IRXDYDNUSA-N 1 3 333.476 1.940 20 0 EDADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418496775 446566677 /nfs/dbraw/zinc/56/66/77/446566677.db2.gz GHAPPQXHYGOQFS-ROUUACIJSA-N 1 3 341.459 1.042 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398163 446528405 /nfs/dbraw/zinc/52/84/05/446528405.db2.gz KGNYVQYGBPHZOD-ROUUACIJSA-N 1 3 345.491 1.815 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428235 446532632 /nfs/dbraw/zinc/53/26/32/446532632.db2.gz OENAXCHGGMSSSN-CABCVRRESA-N 1 3 333.480 1.871 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH3+] ZINC000418410820 446534421 /nfs/dbraw/zinc/53/44/21/446534421.db2.gz CYIDTIYWAOEWSC-SFHVURJKSA-N 1 3 334.464 1.002 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)NCCCCNc2ccccn2)CC1 ZINC000433155082 446539552 /nfs/dbraw/zinc/53/95/52/446539552.db2.gz WJDBHSRZDBVLPM-UHFFFAOYSA-N 1 3 333.480 1.593 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433164253 446541495 /nfs/dbraw/zinc/54/14/95/446541495.db2.gz ZUMDIVQEQWJWGQ-IBGZPJMESA-N 1 3 346.519 1.671 20 0 EDADHO C[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000433169377 446543345 /nfs/dbraw/zinc/54/33/45/446543345.db2.gz QYRYMJGWXYLKPM-KRWDZBQOSA-N 1 3 346.519 1.826 20 0 EDADHO CCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418464032 446553461 /nfs/dbraw/zinc/55/34/61/446553461.db2.gz ABAVIFZXZIKHKZ-IBGZPJMESA-N 1 3 348.491 1.264 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418524296 446581484 /nfs/dbraw/zinc/58/14/84/446581484.db2.gz MZOIARKPISKXDZ-QZTJIDSGSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1Cc1ccccc1 ZINC000418667835 446642294 /nfs/dbraw/zinc/64/22/94/446642294.db2.gz GZEMUPNCEPXRKP-XXQMMXQMSA-N 1 3 342.487 1.899 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000376693871 446656766 /nfs/dbraw/zinc/65/67/66/446656766.db2.gz CUZCATQZPBGZNO-KDOFPFPSSA-N 1 3 348.422 1.024 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CCNC3)cc2)C1 ZINC000376693871 446656773 /nfs/dbraw/zinc/65/67/73/446656773.db2.gz CUZCATQZPBGZNO-KDOFPFPSSA-N 1 3 348.422 1.024 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)C1CCN(Cc2cccnc2)CC1 ZINC000376695607 446657770 /nfs/dbraw/zinc/65/77/70/446657770.db2.gz QMBYCEPVOHVJLX-MRXNPFEDSA-N 1 3 330.476 1.800 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](C)[C@@H]1CN)C(C)C ZINC000423727442 446663142 /nfs/dbraw/zinc/66/31/42/446663142.db2.gz IZAAMXFTVGYZDD-HOTGVXAUSA-N 1 3 340.512 1.149 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000423739280 446669338 /nfs/dbraw/zinc/66/93/38/446669338.db2.gz VQRDPMIFCQJZIL-INIZCTEOSA-N 1 3 342.447 1.022 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCN1CCC([NH3+])CC1 ZINC000423843422 446726882 /nfs/dbraw/zinc/72/68/82/446726882.db2.gz MRKZOOGPORIMBX-QGZVFWFLSA-N 1 3 346.519 1.826 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749786 446679852 /nfs/dbraw/zinc/67/98/52/446679852.db2.gz SHDXVHULHVVMSL-BZUAXINKSA-N 1 3 339.480 1.108 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC000368267623 446748575 /nfs/dbraw/zinc/74/85/75/446748575.db2.gz ZYGVPDFFUFWHPG-INIZCTEOSA-N 1 3 333.480 1.150 20 0 EDADHO CN1CC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@@H]1c1cccs1 ZINC000375369310 446753601 /nfs/dbraw/zinc/75/36/01/446753601.db2.gz XABWXUCPTMYBBB-DZGCQCFKSA-N 1 3 337.489 1.613 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418922112 446799607 /nfs/dbraw/zinc/79/96/07/446799607.db2.gz DKSQZLRSABUFIB-OAHLLOKOSA-N 1 3 340.512 1.262 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000437792192 446759177 /nfs/dbraw/zinc/75/91/77/446759177.db2.gz KHBZWRWEDLZWPY-ROUUACIJSA-N 1 3 333.476 1.292 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCCC[C@@H]1C ZINC000438695797 446797005 /nfs/dbraw/zinc/79/70/05/446797005.db2.gz LUGVEPRIBLRNKE-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCCC[C@@H]1C ZINC000438695797 446797007 /nfs/dbraw/zinc/79/70/07/446797007.db2.gz LUGVEPRIBLRNKE-GJZGRUSLSA-N 1 3 336.484 1.829 20 0 EDADHO CC[C@H](C)[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286536 446867664 /nfs/dbraw/zinc/86/76/64/446867664.db2.gz HEGQDYDSOLNLLF-SQWLQELKSA-N 1 3 339.480 1.154 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000419021520 446870613 /nfs/dbraw/zinc/87/06/13/446870613.db2.gz HALWTIFACLFCTJ-QLFBSQMISA-N 1 3 340.512 1.103 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509081 446909452 /nfs/dbraw/zinc/90/94/52/446909452.db2.gz XLFIHCHEBMQLCD-OALUTQOASA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509081 446909456 /nfs/dbraw/zinc/90/94/56/446909456.db2.gz XLFIHCHEBMQLCD-OALUTQOASA-N 1 3 338.540 1.198 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419100471 446924318 /nfs/dbraw/zinc/92/43/18/446924318.db2.gz BUXUKROWORKHMY-PVAVHDDUSA-N 1 3 346.475 1.009 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419101791 446924638 /nfs/dbraw/zinc/92/46/38/446924638.db2.gz DDQTVEZYBMMCSW-ODIFPOPNSA-N 1 3 346.475 1.009 20 0 EDADHO COC(=O)c1ccc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)nc1 ZINC000375714624 446996008 /nfs/dbraw/zinc/99/60/08/446996008.db2.gz PKMMXIYZWNAPDD-GOSISDBHSA-N 1 3 346.475 1.470 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000372096497 446999476 /nfs/dbraw/zinc/99/94/76/446999476.db2.gz SRPCQCUJAVJNMR-HQSKLWIPSA-N 1 3 343.471 1.741 20 0 EDADHO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CN2CCN1CCC2 ZINC000372355141 447046984 /nfs/dbraw/zinc/04/69/84/447046984.db2.gz HKCOYPPAIMQYDM-GOSISDBHSA-N 1 3 328.460 1.611 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375802676 447063138 /nfs/dbraw/zinc/06/31/38/447063138.db2.gz VQCDYMUFKJFVSS-KZNAEPCWSA-N 1 3 331.460 1.887 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375802676 447063148 /nfs/dbraw/zinc/06/31/48/447063148.db2.gz VQCDYMUFKJFVSS-KZNAEPCWSA-N 1 3 331.460 1.887 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ncn1 ZINC000375804399 447065258 /nfs/dbraw/zinc/06/52/58/447065258.db2.gz HZCJTQPRQACQRE-QBPKDAKJSA-N 1 3 344.507 1.950 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ncn1 ZINC000375804399 447065265 /nfs/dbraw/zinc/06/52/65/447065265.db2.gz HZCJTQPRQACQRE-QBPKDAKJSA-N 1 3 344.507 1.950 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000413227558 447079595 /nfs/dbraw/zinc/07/95/95/447079595.db2.gz JSJWKYJYCAYODT-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CCC[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574993 447154509 /nfs/dbraw/zinc/15/45/09/447154509.db2.gz ZIYDAILAKQSKHU-RYQLBKOJSA-N 1 3 349.523 1.992 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)CC1 ZINC000425515255 447205651 /nfs/dbraw/zinc/20/56/51/447205651.db2.gz KJQQJUZXFIOHIW-MSOLQXFVSA-N 1 3 335.496 1.256 20 0 EDADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)N(C)C)C(C)(C)C)[NH+](C)C ZINC000413771131 447239645 /nfs/dbraw/zinc/23/96/45/447239645.db2.gz NWMNUAIDNIGZGP-QLFBSQMISA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000413771131 447239650 /nfs/dbraw/zinc/23/96/50/447239650.db2.gz NWMNUAIDNIGZGP-QLFBSQMISA-N 1 3 342.528 1.314 20 0 EDADHO CCN1C[C@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414309496 447291134 /nfs/dbraw/zinc/29/11/34/447291134.db2.gz RVTZHQOIBWUKMA-HKUYNNGSSA-N 1 3 331.504 1.943 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000369027154 447272990 /nfs/dbraw/zinc/27/29/90/447272990.db2.gz MGHMIKGWMCWMDK-CVEARBPZSA-N 1 3 338.496 1.413 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369028035 447275000 /nfs/dbraw/zinc/27/50/00/447275000.db2.gz NDYPKEYTZUSUJM-HOTGVXAUSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1CCCCN1CCO ZINC000458707126 447458203 /nfs/dbraw/zinc/45/82/03/447458203.db2.gz NJNWIHJNMJJKBE-KRWDZBQOSA-N 1 3 338.496 1.007 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC000458732395 447465719 /nfs/dbraw/zinc/46/57/19/447465719.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC000458732395 447465726 /nfs/dbraw/zinc/46/57/26/447465726.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)C1 ZINC000459066137 447560741 /nfs/dbraw/zinc/56/07/41/447560741.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 1 3 334.508 1.983 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H](C)C1 ZINC000459066137 447560746 /nfs/dbraw/zinc/56/07/46/447560746.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 1 3 334.508 1.983 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457823496 447642034 /nfs/dbraw/zinc/64/20/34/447642034.db2.gz XRPWQTOGMGEFLZ-JKSUJKDBSA-N 1 3 328.501 1.109 20 0 EDADHO CN(CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416869771 447699421 /nfs/dbraw/zinc/69/94/21/447699421.db2.gz HJOXZJJKEIVITH-QZTJIDSGSA-N 1 3 330.476 1.759 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000422603275 447665504 /nfs/dbraw/zinc/66/55/04/447665504.db2.gz KOBUTOASEDLANC-IRXDYDNUSA-N 1 3 328.460 1.969 20 0 EDADHO C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422718695 447728142 /nfs/dbraw/zinc/72/81/42/447728142.db2.gz XISOHPBGDVWDHL-ZBFHGGJFSA-N 1 3 331.460 1.474 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459726166 447753860 /nfs/dbraw/zinc/75/38/60/447753860.db2.gz GIQXMPMGJJEPKU-INIZCTEOSA-N 1 3 335.496 1.387 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726166 447753864 /nfs/dbraw/zinc/75/38/64/447753864.db2.gz GIQXMPMGJJEPKU-INIZCTEOSA-N 1 3 335.496 1.387 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCN1C1CCOCC1 ZINC000422828820 447762874 /nfs/dbraw/zinc/76/28/74/447762874.db2.gz BJPRXFZUMHTAQL-SFHVURJKSA-N 1 3 329.444 1.914 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845118 447767697 /nfs/dbraw/zinc/76/76/97/447767697.db2.gz NLJVAUUNVQPXIU-MJGOQNOKSA-N 1 3 344.503 1.703 20 0 EDADHO CCN1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800445 447786334 /nfs/dbraw/zinc/78/63/34/447786334.db2.gz QYLSGTJCHBSGNM-CZUORRHYSA-N 1 3 348.495 1.456 20 0 EDADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NCCCOc1ccccc1F ZINC000431020090 447788715 /nfs/dbraw/zinc/78/87/15/447788715.db2.gz WLEGCZZMFDXJCB-UHFFFAOYSA-N 1 3 349.450 1.786 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCSC1 ZINC000489445868 447857398 /nfs/dbraw/zinc/85/73/98/447857398.db2.gz ZWPAWIVOURZITH-CVEARBPZSA-N 1 3 326.510 1.161 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CCSC1 ZINC000489445868 447857403 /nfs/dbraw/zinc/85/74/03/447857403.db2.gz ZWPAWIVOURZITH-CVEARBPZSA-N 1 3 326.510 1.161 20 0 EDADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864741 /nfs/dbraw/zinc/86/47/41/447864741.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 1 3 334.508 1.841 20 0 EDADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864744 /nfs/dbraw/zinc/86/47/44/447864744.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 1 3 334.508 1.841 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000570142706 447951175 /nfs/dbraw/zinc/95/11/75/447951175.db2.gz CPHUZPUKJWBYLB-HNNXBMFYSA-N 1 3 348.495 2.002 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000570142706 447951180 /nfs/dbraw/zinc/95/11/80/447951180.db2.gz CPHUZPUKJWBYLB-HNNXBMFYSA-N 1 3 348.495 2.002 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572005 447917454 /nfs/dbraw/zinc/91/74/54/447917454.db2.gz NOQRDDIBVPUVQB-PXNSSMCTSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530572005 447917460 /nfs/dbraw/zinc/91/74/60/447917460.db2.gz NOQRDDIBVPUVQB-PXNSSMCTSA-N 1 3 345.487 1.614 20 0 EDADHO CCN1CCN(CCCCNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000575920845 447927519 /nfs/dbraw/zinc/92/75/19/447927519.db2.gz SOWUFSPIJUQCAG-UHFFFAOYSA-N 1 3 347.507 1.362 20 0 EDADHO C[C@@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C(=O)NCCN1CCCCC1 ZINC000575921432 447928180 /nfs/dbraw/zinc/92/81/80/447928180.db2.gz ZUILBUIMXHSCJH-PMPSAXMXSA-N 1 3 338.496 1.001 20 0 EDADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552034778 447930613 /nfs/dbraw/zinc/93/06/13/447930613.db2.gz XLMBTFFKMBCWRH-YESZJQIVSA-N 1 3 337.489 1.427 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCCN1C ZINC000491375371 448007156 /nfs/dbraw/zinc/00/71/56/448007156.db2.gz NZYZNMQMQLAWFP-HIFRSBDPSA-N 1 3 334.468 1.754 20 0 EDADHO C[C@H](C[NH3+])CN[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289958 448044276 /nfs/dbraw/zinc/04/42/76/448044276.db2.gz QSOACUMONCCAJG-INMHGKMJSA-N 1 3 335.448 1.597 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC000554621033 448044792 /nfs/dbraw/zinc/04/47/92/448044792.db2.gz SRXOGIRCAXVWMW-QGZVFWFLSA-N 1 3 335.448 1.460 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1 ZINC000501267198 448093711 /nfs/dbraw/zinc/09/37/11/448093711.db2.gz RCYZNEVNARIXJS-HRCADAONSA-N 1 3 342.528 1.713 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101356 /nfs/dbraw/zinc/10/13/56/448101356.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101361 /nfs/dbraw/zinc/10/13/61/448101361.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000576706158 448120075 /nfs/dbraw/zinc/12/00/75/448120075.db2.gz CHUWLJUPODNQLY-CRAIPNDOSA-N 1 3 337.508 1.819 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673171 448183391 /nfs/dbraw/zinc/18/33/91/448183391.db2.gz XOLCUNHISBPTGL-ZIAGYGMSSA-N 1 3 339.480 1.297 20 0 EDADHO COC[C@@]1(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)CCC[NH2+]1 ZINC000514850235 448214228 /nfs/dbraw/zinc/21/42/28/448214228.db2.gz OXCFOBNCEKXUCX-YJBOKZPZSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000572114068 448289161 /nfs/dbraw/zinc/28/91/61/448289161.db2.gz BGZWKVBPTWCRPY-KRWDZBQOSA-N 1 3 335.492 1.350 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)C[C@H]1CN)CC(C)C ZINC000577831083 448394620 /nfs/dbraw/zinc/39/46/20/448394620.db2.gz YQHMTBMRLYWYCW-JKSUJKDBSA-N 1 3 327.517 1.027 20 0 EDADHO Cc1c(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000566193922 448411850 /nfs/dbraw/zinc/41/18/50/448411850.db2.gz OYUKYUSMTUOBDS-ZDUSSCGKSA-N 1 3 348.495 1.313 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000582910611 448377318 /nfs/dbraw/zinc/37/73/18/448377318.db2.gz NBCCTUJHVGMION-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000582910611 448377321 /nfs/dbraw/zinc/37/73/21/448377321.db2.gz NBCCTUJHVGMION-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010984 448439488 /nfs/dbraw/zinc/43/94/88/448439488.db2.gz KMDLTOJUENXBTK-HOTGVXAUSA-N 1 3 326.529 1.400 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010986 448439822 /nfs/dbraw/zinc/43/98/22/448439822.db2.gz KMDLTOJUENXBTK-JKSUJKDBSA-N 1 3 326.529 1.400 20 0 EDADHO NCc1cn([C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000566351701 448451590 /nfs/dbraw/zinc/45/15/90/448451590.db2.gz YDDZKEFIFVPLLU-GOSISDBHSA-N 1 3 326.448 1.220 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000516862187 448484753 /nfs/dbraw/zinc/48/47/53/448484753.db2.gz NZFSKSPIXIVPTF-HXUWFJFHSA-N 1 3 348.535 1.225 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)CN1CCN(C)CC1 ZINC000516862187 448484756 /nfs/dbraw/zinc/48/47/56/448484756.db2.gz NZFSKSPIXIVPTF-HXUWFJFHSA-N 1 3 348.535 1.225 20 0 EDADHO CN(C(=O)CC[NH2+]C1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000584730701 448612912 /nfs/dbraw/zinc/61/29/12/448612912.db2.gz UBXFZZWECZUTEL-UHFFFAOYSA-N 1 3 330.476 1.689 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214979 448655453 /nfs/dbraw/zinc/65/54/53/448655453.db2.gz ILSVBGYQNTWHCV-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214979 448655456 /nfs/dbraw/zinc/65/54/56/448655456.db2.gz ILSVBGYQNTWHCV-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786130 448710891 /nfs/dbraw/zinc/71/08/91/448710891.db2.gz AMRQRWLCJUVBSA-PBHICJAKSA-N 1 3 326.485 1.175 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358828 448762176 /nfs/dbraw/zinc/76/21/76/448762176.db2.gz HALAOZRGKUINJH-OJLVUWQFSA-N 1 3 334.489 1.477 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000579208510 448739743 /nfs/dbraw/zinc/73/97/43/448739743.db2.gz KGKPZHBGAIKMDV-HNNXBMFYSA-N 1 3 344.459 1.214 20 0 EDADHO CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1CN2CCC1CC2 ZINC000519116237 448743357 /nfs/dbraw/zinc/74/33/57/448743357.db2.gz XYZSABWNLBFVNK-IBGZPJMESA-N 1 3 327.472 1.987 20 0 EDADHO CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1CN2CCC1CC2 ZINC000519116237 448743358 /nfs/dbraw/zinc/74/33/58/448743358.db2.gz XYZSABWNLBFVNK-IBGZPJMESA-N 1 3 327.472 1.987 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(N)CCC2)CC1 ZINC000579350455 448773581 /nfs/dbraw/zinc/77/35/81/448773581.db2.gz MWHNUWWVRCXCQE-UHFFFAOYSA-N 1 3 346.475 1.157 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncccc1OC ZINC000547469459 448885022 /nfs/dbraw/zinc/88/50/22/448885022.db2.gz ZEVMSTQWVGKTKH-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ncccc1OC ZINC000547469459 448885027 /nfs/dbraw/zinc/88/50/27/448885027.db2.gz ZEVMSTQWVGKTKH-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO CCN1CCN(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000568628330 448897448 /nfs/dbraw/zinc/89/74/48/448897448.db2.gz QEVWVSCAKSEBAM-SFHVURJKSA-N 1 3 338.540 1.818 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592567643 448904476 /nfs/dbraw/zinc/90/44/76/448904476.db2.gz SUCNHEILXMAWGH-PBHICJAKSA-N 1 3 339.443 1.418 20 0 EDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585093 448910275 /nfs/dbraw/zinc/91/02/75/448910275.db2.gz SLLYAXIKDURAEZ-DOTOQJQBSA-N 1 3 331.460 1.746 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585093 448910282 /nfs/dbraw/zinc/91/02/82/448910282.db2.gz SLLYAXIKDURAEZ-DOTOQJQBSA-N 1 3 331.460 1.746 20 0 EDADHO CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000579827677 448887699 /nfs/dbraw/zinc/88/76/99/448887699.db2.gz UARWOIVUWDMMAI-DOTOQJQBSA-N 1 3 334.460 1.899 20 0 EDADHO CCOc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000579827677 448887706 /nfs/dbraw/zinc/88/77/06/448887706.db2.gz UARWOIVUWDMMAI-DOTOQJQBSA-N 1 3 334.460 1.899 20 0 EDADHO CCOc1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000579827677 448887713 /nfs/dbraw/zinc/88/77/13/448887713.db2.gz UARWOIVUWDMMAI-DOTOQJQBSA-N 1 3 334.460 1.899 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)cn1 ZINC000547859040 448940927 /nfs/dbraw/zinc/94/09/27/448940927.db2.gz BBMACEFBGTXJSV-UHFFFAOYSA-N 1 3 330.379 1.248 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN(C)CC1 ZINC000589612523 449039128 /nfs/dbraw/zinc/03/91/28/449039128.db2.gz OXJDMWRDTYOLGY-OAHLLOKOSA-N 1 3 340.537 1.597 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN(C)CC1 ZINC000589612523 449039130 /nfs/dbraw/zinc/03/91/30/449039130.db2.gz OXJDMWRDTYOLGY-OAHLLOKOSA-N 1 3 340.537 1.597 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929632 449259851 /nfs/dbraw/zinc/25/98/51/449259851.db2.gz NSCGDTKINSZGSO-PKOBYXMFSA-N 1 3 342.487 1.459 20 0 EDADHO CC(C)[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)N(C)C ZINC000617112232 449463687 /nfs/dbraw/zinc/46/36/87/449463687.db2.gz TXMLPKGSGKLEHU-QGZVFWFLSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)O ZINC000606662562 449501566 /nfs/dbraw/zinc/50/15/66/449501566.db2.gz ZNPOAOCXTUBTHT-CYBMUJFWSA-N 1 3 326.485 1.004 20 0 EDADHO CO[C@H]1CCC[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617507221 449655561 /nfs/dbraw/zinc/65/55/61/449655561.db2.gz MTHQIVHRFWEDBE-BBWFWOEESA-N 1 3 327.513 1.970 20 0 EDADHO CO[C@H]1CCC[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617507221 449655563 /nfs/dbraw/zinc/65/55/63/449655563.db2.gz MTHQIVHRFWEDBE-BBWFWOEESA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncoc1C(F)(F)F ZINC000617507590 449659033 /nfs/dbraw/zinc/65/90/33/449659033.db2.gz BKCBTKSJKLWWBE-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncoc1C(F)(F)F ZINC000617507590 449659039 /nfs/dbraw/zinc/65/90/39/449659039.db2.gz BKCBTKSJKLWWBE-JTQLQIEISA-N 1 3 336.358 1.695 20 0 EDADHO COC(=O)c1csc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000602654018 449731806 /nfs/dbraw/zinc/73/18/06/449731806.db2.gz FYJYSDIYPBJKFS-UHFFFAOYSA-N 1 3 325.478 1.650 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617700780 449746014 /nfs/dbraw/zinc/74/60/14/449746014.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 1 3 345.487 1.742 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617700780 449746016 /nfs/dbraw/zinc/74/60/16/449746016.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 1 3 345.487 1.742 20 0 EDADHO CC1(C)CC(NC(=O)NC2CCN(CCO)CC2)CC(C)(C)[NH2+]1 ZINC000601208668 449751062 /nfs/dbraw/zinc/75/10/62/449751062.db2.gz VRHYAJIFNOKQKI-UHFFFAOYSA-N 1 3 326.485 1.052 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000601285856 449799483 /nfs/dbraw/zinc/79/94/83/449799483.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000601285856 449799484 /nfs/dbraw/zinc/79/94/84/449799484.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@]1(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902546 449933898 /nfs/dbraw/zinc/93/38/98/449933898.db2.gz BPKOCIQNBZTJEH-PKOBYXMFSA-N 1 3 346.475 1.329 20 0 EDADHO C[NH+]1CCC(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000617976833 449958953 /nfs/dbraw/zinc/95/89/53/449958953.db2.gz AZPWYXWRWSTXOE-UHFFFAOYSA-N 1 3 330.476 1.752 20 0 EDADHO CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000599720450 450177833 /nfs/dbraw/zinc/17/78/33/450177833.db2.gz GYRQXBDFEAJBEG-MHORFTMASA-N 1 3 347.528 1.836 20 0 EDADHO CS[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1N(C)C ZINC000599720450 450177837 /nfs/dbraw/zinc/17/78/37/450177837.db2.gz GYRQXBDFEAJBEG-MHORFTMASA-N 1 3 347.528 1.836 20 0 EDADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000623380803 450509497 /nfs/dbraw/zinc/50/94/97/450509497.db2.gz QMMMWCBYTLTQJW-AWEZNQCLSA-N 1 3 325.478 1.427 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943346 450539169 /nfs/dbraw/zinc/53/91/69/450539169.db2.gz WVANAVOLCZJWGO-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000625943346 450539172 /nfs/dbraw/zinc/53/91/72/450539172.db2.gz WVANAVOLCZJWGO-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO CN(CCCNCc1cn(-c2ccc(F)cc2)nn1)CC[NH+](C)C ZINC000623576196 450545679 /nfs/dbraw/zinc/54/56/79/450545679.db2.gz KHGWWMUGQOXLIU-UHFFFAOYSA-N 1 3 334.443 1.380 20 0 EDADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627268206 450606335 /nfs/dbraw/zinc/60/63/35/450606335.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 1 3 343.471 1.176 20 0 EDADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627268206 450606339 /nfs/dbraw/zinc/60/63/39/450606339.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 1 3 343.471 1.176 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)NC[C@H](O)CN2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000626200449 450621312 /nfs/dbraw/zinc/62/13/12/450621312.db2.gz MZJAZJWQMWXRIR-OTWHNJEPSA-N 1 3 345.487 1.295 20 0 EDADHO C[N@H+]1C[C@H](C(=O)NC[C@H](O)CN2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000626200449 450621316 /nfs/dbraw/zinc/62/13/16/450621316.db2.gz MZJAZJWQMWXRIR-OTWHNJEPSA-N 1 3 345.487 1.295 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629553296 450732093 /nfs/dbraw/zinc/73/20/93/450732093.db2.gz GYCZXCYCDUJSRN-ZNMIVQPWSA-N 1 3 327.428 1.935 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C3(C[NH+](C)C)CC3)ccc2oc1=O ZINC000635451735 450951699 /nfs/dbraw/zinc/95/16/99/450951699.db2.gz RIIXRFAWMZJGAF-UHFFFAOYSA-N 1 3 346.431 1.436 20 0 EDADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000633631869 450953515 /nfs/dbraw/zinc/95/35/15/450953515.db2.gz XZKGFTDHZZMBQF-INIZCTEOSA-N 1 3 333.480 1.582 20 0 EDADHO CN(C)CCn1cc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000633631869 450953522 /nfs/dbraw/zinc/95/35/22/450953522.db2.gz XZKGFTDHZZMBQF-INIZCTEOSA-N 1 3 333.480 1.582 20 0 EDADHO COc1cc(CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1OCCN(C)C ZINC000635463644 450963864 /nfs/dbraw/zinc/96/38/64/450963864.db2.gz BOTNJCIMUXJACH-MRXNPFEDSA-N 1 3 349.475 1.594 20 0 EDADHO COc1cc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1OCCN(C)C ZINC000635463644 450963869 /nfs/dbraw/zinc/96/38/69/450963869.db2.gz BOTNJCIMUXJACH-MRXNPFEDSA-N 1 3 349.475 1.594 20 0 EDADHO CC1(C)CN(C2(CNC(=O)N[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000626973729 451044206 /nfs/dbraw/zinc/04/42/06/451044206.db2.gz DGKQUWAMLLSNJZ-OAHLLOKOSA-N 1 3 338.496 1.461 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000626928679 451011495 /nfs/dbraw/zinc/01/14/95/451011495.db2.gz GJTWGEKRCZTVPV-RISCZKNCSA-N 1 3 348.413 1.782 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626979343 451048692 /nfs/dbraw/zinc/04/86/92/451048692.db2.gz XOQSATZSVFFCFB-NTZNESFSSA-N 1 3 334.386 1.392 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000628051980 451105339 /nfs/dbraw/zinc/10/53/39/451105339.db2.gz UVLBLLJAOVLAOR-WQANXHIZSA-N 1 3 329.488 1.961 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000628051980 451105344 /nfs/dbraw/zinc/10/53/44/451105344.db2.gz UVLBLLJAOVLAOR-WQANXHIZSA-N 1 3 329.488 1.961 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629843 451118565 /nfs/dbraw/zinc/11/85/65/451118565.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629843 451118574 /nfs/dbraw/zinc/11/85/74/451118574.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629846 451119436 /nfs/dbraw/zinc/11/94/36/451119436.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629846 451119441 /nfs/dbraw/zinc/11/94/41/451119441.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000627175953 451165989 /nfs/dbraw/zinc/16/59/89/451165989.db2.gz DSFRZYJMHIKDRG-QGZVFWFLSA-N 1 3 348.491 1.528 20 0 EDADHO CN(C(=O)NCCOCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000627214736 451191176 /nfs/dbraw/zinc/19/11/76/451191176.db2.gz YGCBZADTDZAYDF-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CN(C(=O)NCCOCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000627216198 451192074 /nfs/dbraw/zinc/19/20/74/451192074.db2.gz SMESFNRRCQMMNX-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638095510 451260940 /nfs/dbraw/zinc/26/09/40/451260940.db2.gz UKVIEZGEHHYHHP-ZWKOTPCHSA-N 1 3 330.476 1.142 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2csnn2)cc1 ZINC000625285789 451261703 /nfs/dbraw/zinc/26/17/03/451261703.db2.gz GSEISXPIONNRPW-UHFFFAOYSA-N 1 3 347.488 1.771 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@]2(COC)CCCCN2)C1 ZINC000638128391 451298253 /nfs/dbraw/zinc/29/82/53/451298253.db2.gz SGSMTXPIWGWWHU-AEFFLSMTSA-N 1 3 341.496 1.104 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142490 451316681 /nfs/dbraw/zinc/31/66/81/451316681.db2.gz CHWNXTOEOIRNRK-FHWLQOOXSA-N 1 3 344.503 1.436 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636580965 451321958 /nfs/dbraw/zinc/32/19/58/451321958.db2.gz RANXYVAXEUAIDN-AWEZNQCLSA-N 1 3 334.468 1.613 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000636580965 451321961 /nfs/dbraw/zinc/32/19/61/451321961.db2.gz RANXYVAXEUAIDN-AWEZNQCLSA-N 1 3 334.468 1.613 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000638243149 451378234 /nfs/dbraw/zinc/37/82/34/451378234.db2.gz YZQAVSYNUPWKKK-QGZVFWFLSA-N 1 3 341.411 1.686 20 0 EDADHO Cc1ccc([C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)N(C)C)cc1 ZINC000630840183 451431770 /nfs/dbraw/zinc/43/17/70/451431770.db2.gz YQCVSWJPNWDDNG-SFHVURJKSA-N 1 3 343.475 1.786 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638328496 451437531 /nfs/dbraw/zinc/43/75/31/451437531.db2.gz JMBRZNVXWLXZPB-QYZOEREBSA-N 1 3 344.503 1.436 20 0 EDADHO COC[C@@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCCCN1 ZINC000638351887 451452912 /nfs/dbraw/zinc/45/29/12/451452912.db2.gz KWNMZAXFWNISLR-ZIFCJYIRSA-N 1 3 349.450 1.628 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636048356 451465488 /nfs/dbraw/zinc/46/54/88/451465488.db2.gz VIQJAWCZNHWCEX-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000636048356 451465492 /nfs/dbraw/zinc/46/54/92/451465492.db2.gz VIQJAWCZNHWCEX-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000638373719 451470056 /nfs/dbraw/zinc/47/00/56/451470056.db2.gz IHEJLYHSKTXXEU-FQEVSTJZSA-N 1 3 347.503 1.719 20 0 EDADHO CN(C)CCn1cc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cn1 ZINC000632702628 451528234 /nfs/dbraw/zinc/52/82/34/451528234.db2.gz YFKIZUZLDVUBKR-UHFFFAOYSA-N 1 3 343.475 1.479 20 0 EDADHO O=C(CN1C[C@@H]2COC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000634782066 451545926 /nfs/dbraw/zinc/54/59/26/451545926.db2.gz ZWYSTFUFZCUAGR-KDURUIRLSA-N 1 3 343.471 1.477 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506702 451551325 /nfs/dbraw/zinc/55/13/25/451551325.db2.gz XWJYZELZPHSCGW-GOSISDBHSA-N 1 3 342.487 1.600 20 0 EDADHO CO[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCOCC1 ZINC000638587168 451592051 /nfs/dbraw/zinc/59/20/51/451592051.db2.gz BFAGJFUTHJJWIS-SJLPKXTDSA-N 1 3 325.497 1.186 20 0 EDADHO CCC[C@@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640836165 451621731 /nfs/dbraw/zinc/62/17/31/451621731.db2.gz BSTYGCJDUNTWQT-WBVHZDCISA-N 1 3 344.463 1.497 20 0 EDADHO [NH3+]CC1(NC(=O)C2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000638634641 451623062 /nfs/dbraw/zinc/62/30/62/451623062.db2.gz SLDIMZQPRGOGSB-UHFFFAOYSA-N 1 3 331.460 1.523 20 0 EDADHO O=C1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCN1 ZINC000634960202 451625767 /nfs/dbraw/zinc/62/57/67/451625767.db2.gz LQTOEDHHRBAUOR-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC000638644674 451627685 /nfs/dbraw/zinc/62/76/85/451627685.db2.gz RRKKGWIPVZWGES-RDJZCZTQSA-N 1 3 330.476 1.699 20 0 EDADHO [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)OCCNC2)c1ccc(F)cc1 ZINC000638670941 451643613 /nfs/dbraw/zinc/64/36/13/451643613.db2.gz JDMCCMXUNTYDBV-INIZCTEOSA-N 1 3 329.375 1.989 20 0 EDADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786059 451691290 /nfs/dbraw/zinc/69/12/90/451691290.db2.gz IYGLWVPVRTWWOC-MJGOQNOKSA-N 1 3 343.471 1.838 20 0 EDADHO O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851665 451710369 /nfs/dbraw/zinc/71/03/69/451710369.db2.gz ORUJWDHLUAXXQQ-LJQANCHMSA-N 1 3 344.503 1.453 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852621 451711101 /nfs/dbraw/zinc/71/11/01/451711101.db2.gz ZINFHSAYSZEMGC-OALUTQOASA-N 1 3 346.519 1.826 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000638974531 451744352 /nfs/dbraw/zinc/74/43/52/451744352.db2.gz AABCDDRLRJCCBM-ZRGWGRIASA-N 1 3 337.508 1.852 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000639190577 451789199 /nfs/dbraw/zinc/78/91/99/451789199.db2.gz NTEDPUCPXZLFBI-UYAOXDASSA-N 1 3 332.488 1.978 20 0 EDADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000649072009 451807846 /nfs/dbraw/zinc/80/78/46/451807846.db2.gz WVHCRNBRPYACCS-WBVHZDCISA-N 1 3 346.475 1.258 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000644561847 451863074 /nfs/dbraw/zinc/86/30/74/451863074.db2.gz GUARPATXXCJKGK-KRWDZBQOSA-N 1 3 348.466 1.912 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3cccnc3)C2)CC1 ZINC000644562018 451863558 /nfs/dbraw/zinc/86/35/58/451863558.db2.gz OHRHYWGGUADWHB-INIZCTEOSA-N 1 3 331.464 1.168 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cnn1C ZINC000649293511 451969665 /nfs/dbraw/zinc/96/96/65/451969665.db2.gz WPVRIULIUKJSPC-JFTQMJAMSA-N 1 3 347.507 1.268 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)ccc1OCCN(C)C ZINC000649302080 451978565 /nfs/dbraw/zinc/97/85/65/451978565.db2.gz TYCUVPLBLJBGAP-INIZCTEOSA-N 1 3 335.448 1.250 20 0 EDADHO CN1CC[C@@](N)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000649304171 451979371 /nfs/dbraw/zinc/97/93/71/451979371.db2.gz LIZFDVBADDZJGN-IBGZPJMESA-N 1 3 330.476 1.687 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637663330 452005965 /nfs/dbraw/zinc/00/59/65/452005965.db2.gz BDZLPLOPGBEYBS-UHFFFAOYSA-N 1 3 336.484 1.955 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637668327 452009952 /nfs/dbraw/zinc/00/99/52/452009952.db2.gz CIFOAMADNMBQLC-OAHLLOKOSA-N 1 3 348.495 1.955 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637668327 452009958 /nfs/dbraw/zinc/00/99/58/452009958.db2.gz CIFOAMADNMBQLC-OAHLLOKOSA-N 1 3 348.495 1.955 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342545 452023126 /nfs/dbraw/zinc/02/31/26/452023126.db2.gz WQMFYRVGEVLTKB-OALUTQOASA-N 1 3 333.476 1.487 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342545 452023130 /nfs/dbraw/zinc/02/31/30/452023130.db2.gz WQMFYRVGEVLTKB-OALUTQOASA-N 1 3 333.476 1.487 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)[C@]3(N)CC[N@H+](C)C3)CC2)CC1 ZINC000649344825 452026935 /nfs/dbraw/zinc/02/69/35/452026935.db2.gz RTCCSIKFTYREMC-TVPLGVNVSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)[C@]3(N)CC[N@@H+](C)C3)CC2)CC1 ZINC000649344825 452026940 /nfs/dbraw/zinc/02/69/40/452026940.db2.gz RTCCSIKFTYREMC-TVPLGVNVSA-N 1 3 336.524 1.378 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)c2ccccc2O1 ZINC000649347006 452030516 /nfs/dbraw/zinc/03/05/16/452030516.db2.gz ABJORCYFYKOABW-CABCVRRESA-N 1 3 333.432 1.111 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649350535 452033941 /nfs/dbraw/zinc/03/39/41/452033941.db2.gz MBVLEXIXZLYRKO-QRVBRYPASA-N 1 3 342.487 1.191 20 0 EDADHO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000647083855 452050958 /nfs/dbraw/zinc/05/09/58/452050958.db2.gz YYBPBJJKTCXAEW-KGLIPLIRSA-N 1 3 344.381 1.690 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062942 /nfs/dbraw/zinc/06/29/42/452062942.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 1 3 336.524 1.663 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062947 /nfs/dbraw/zinc/06/29/47/452062947.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 1 3 336.524 1.663 20 0 EDADHO NC(=O)c1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649413793 452075632 /nfs/dbraw/zinc/07/56/32/452075632.db2.gz GCBFOQCFOXNBAX-UHFFFAOYSA-N 1 3 330.476 1.687 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)ccn1 ZINC000653846008 452146668 /nfs/dbraw/zinc/14/66/68/452146668.db2.gz ISETZJKLPDIZMY-UHFFFAOYSA-N 1 3 336.480 1.872 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104688 452154373 /nfs/dbraw/zinc/15/43/73/452154373.db2.gz QSNRVVOKDBIXRS-ZAHIEGGZSA-N 1 3 335.492 1.510 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000659432530 452278976 /nfs/dbraw/zinc/27/89/76/452278976.db2.gz BEVIEHCAJQLJCB-HZPDHXFCSA-N 1 3 338.427 1.208 20 0 EDADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643533976 452298276 /nfs/dbraw/zinc/29/82/76/452298276.db2.gz IWIGYNMPGFRAEG-BBRMVZONSA-N 1 3 337.489 1.730 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536116 452300911 /nfs/dbraw/zinc/30/09/11/452300911.db2.gz MVOGRYAEBVTHRI-CJNGLKHVSA-N 1 3 337.489 1.744 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457759 452311290 /nfs/dbraw/zinc/31/12/90/452311290.db2.gz KLBOSIQLIJSOKI-IPMKNSEASA-N 1 3 342.487 1.916 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659459881 452311876 /nfs/dbraw/zinc/31/18/76/452311876.db2.gz HDXJRJXAFBYYAU-QGZVFWFLSA-N 1 3 340.512 1.376 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049005 452318133 /nfs/dbraw/zinc/31/81/33/452318133.db2.gz RKMHGXSKJQFMCG-OALUTQOASA-N 1 3 341.455 1.984 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000665758988 452328302 /nfs/dbraw/zinc/32/83/02/452328302.db2.gz WFQUQLOBKQVYGX-RRFJBIMHSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000665758988 452328314 /nfs/dbraw/zinc/32/83/14/452328314.db2.gz WFQUQLOBKQVYGX-RRFJBIMHSA-N 1 3 330.542 1.794 20 0 EDADHO NCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663607921 452335046 /nfs/dbraw/zinc/33/50/46/452335046.db2.gz AONPPFPGBOEOBG-MRXNPFEDSA-N 1 3 344.459 1.322 20 0 EDADHO NCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663607921 452335056 /nfs/dbraw/zinc/33/50/56/452335056.db2.gz AONPPFPGBOEOBG-MRXNPFEDSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482055 452341276 /nfs/dbraw/zinc/34/12/76/452341276.db2.gz UGDRXVVHINIUDE-DZOHQFGASA-N 1 3 348.466 1.978 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482055 452341282 /nfs/dbraw/zinc/34/12/82/452341282.db2.gz UGDRXVVHINIUDE-DZOHQFGASA-N 1 3 348.466 1.978 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652150086 452342700 /nfs/dbraw/zinc/34/27/00/452342700.db2.gz LTHHKSZPPRYMFJ-CGTJXYLNSA-N 1 3 348.491 1.512 20 0 EDADHO COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665763522 452342944 /nfs/dbraw/zinc/34/29/44/452342944.db2.gz DHOAIOGMTQGRAI-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665763522 452342953 /nfs/dbraw/zinc/34/29/53/452342953.db2.gz DHOAIOGMTQGRAI-IRXDYDNUSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1cscn1 ZINC000665763489 452343868 /nfs/dbraw/zinc/34/38/68/452343868.db2.gz CAXUISBHFAIKIB-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1cscn1 ZINC000665763489 452343879 /nfs/dbraw/zinc/34/38/79/452343879.db2.gz CAXUISBHFAIKIB-QWHCGFSZSA-N 1 3 327.498 1.775 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000665763932 452349047 /nfs/dbraw/zinc/34/90/47/452349047.db2.gz PLNKWODDGDIMEQ-WMZOPIPTSA-N 1 3 347.507 1.853 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](c2cccnc2)C1 ZINC000665763932 452349059 /nfs/dbraw/zinc/34/90/59/452349059.db2.gz PLNKWODDGDIMEQ-WMZOPIPTSA-N 1 3 347.507 1.853 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638060569 452350993 /nfs/dbraw/zinc/35/09/93/452350993.db2.gz XJAJTKKNRZAKFS-ROUUACIJSA-N 1 3 332.492 1.388 20 0 EDADHO CCC1([NH+](C)C)CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000640017129 452355984 /nfs/dbraw/zinc/35/59/84/452355984.db2.gz CLNMBVFFESLYRX-UHFFFAOYSA-N 1 3 336.524 1.536 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638063438 452360669 /nfs/dbraw/zinc/36/06/69/452360669.db2.gz NAFCYHWZJYMAFP-ZWKOTPCHSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069451 452374800 /nfs/dbraw/zinc/37/48/00/452374800.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069451 452374804 /nfs/dbraw/zinc/37/48/04/452374804.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 1 3 332.492 1.294 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659513907 452377483 /nfs/dbraw/zinc/37/74/83/452377483.db2.gz MCMHCZUWNHYDDJ-FUHWJXTLSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663644707 452387886 /nfs/dbraw/zinc/38/78/86/452387886.db2.gz ZSOXJXQTFXSYLC-NVXWUHKLSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663644707 452387892 /nfs/dbraw/zinc/38/78/92/452387892.db2.gz ZSOXJXQTFXSYLC-NVXWUHKLSA-N 1 3 338.496 1.101 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659534482 452394471 /nfs/dbraw/zinc/39/44/71/452394471.db2.gz AJWLAXTZIAFUND-ROUUACIJSA-N 1 3 345.491 1.863 20 0 EDADHO C[C@@H](CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)N(C)C ZINC000638081267 452397767 /nfs/dbraw/zinc/39/77/67/452397767.db2.gz WHDRQXBBMCOVAU-INIZCTEOSA-N 1 3 332.492 1.436 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)CN1 ZINC000659589514 452446121 /nfs/dbraw/zinc/44/61/21/452446121.db2.gz RIEAPPDJECGHHJ-BQGCOEIASA-N 1 3 334.439 1.663 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000652262524 452451987 /nfs/dbraw/zinc/45/19/87/452451987.db2.gz XNOVGQLYICJHHZ-INIZCTEOSA-N 1 3 333.480 1.158 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000659633022 452496492 /nfs/dbraw/zinc/49/64/92/452496492.db2.gz AHWHXYWAYGWYEW-VQIMIIECSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655690061 452512797 /nfs/dbraw/zinc/51/27/97/452512797.db2.gz UDEJWWJUSBSORB-HKUYNNGSSA-N 1 3 338.540 1.245 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655695508 452516842 /nfs/dbraw/zinc/51/68/42/452516842.db2.gz ZRBZFLUTKLKMOH-LJQANCHMSA-N 1 3 347.503 1.970 20 0 EDADHO Cn1cc(-c2cc(CN3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349428 452527293 /nfs/dbraw/zinc/52/72/93/452527293.db2.gz OPUROMZGHBASHI-JCKWVBRZSA-N 1 3 345.447 1.793 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652376010 452565129 /nfs/dbraw/zinc/56/51/29/452565129.db2.gz PBKDFOANWJZIAO-RDJZCZTQSA-N 1 3 337.489 1.498 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661879926 452647492 /nfs/dbraw/zinc/64/74/92/452647492.db2.gz GDJALEIQCUZWKO-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CCN(CC)C1 ZINC000663938028 452658676 /nfs/dbraw/zinc/65/86/76/452658676.db2.gz VTRPCVCFOUIMOI-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000647934457 452676186 /nfs/dbraw/zinc/67/61/86/452676186.db2.gz GFXSNYMLWUJZOH-NXHRZFHOSA-N 1 3 332.492 1.465 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000655916624 452677381 /nfs/dbraw/zinc/67/73/81/452677381.db2.gz FHKSIQFOFNMTOT-UONOGXRCSA-N 1 3 344.381 1.840 20 0 EDADHO COCc1csc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000666221133 452696307 /nfs/dbraw/zinc/69/63/07/452696307.db2.gz RKHJFHDPIDTECJ-LBPRGKRZSA-N 1 3 343.497 1.683 20 0 EDADHO COCc1csc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000666221133 452696312 /nfs/dbraw/zinc/69/63/12/452696312.db2.gz RKHJFHDPIDTECJ-LBPRGKRZSA-N 1 3 343.497 1.683 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655958846 452738330 /nfs/dbraw/zinc/73/83/30/452738330.db2.gz OTQVQOCSAZZUQJ-SJORKVTESA-N 1 3 342.443 1.361 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655958841 452739658 /nfs/dbraw/zinc/73/96/58/452739658.db2.gz OTQVQOCSAZZUQJ-DLBZAZTESA-N 1 3 342.443 1.361 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652642615 452799692 /nfs/dbraw/zinc/79/96/92/452799692.db2.gz CLDUXHJCVRSEIK-UHFFFAOYSA-N 1 3 346.475 1.235 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000645908278 452891951 /nfs/dbraw/zinc/89/19/51/452891951.db2.gz DZMDGZVZSUCFIA-KRWDZBQOSA-N 1 3 349.475 1.258 20 0 EDADHO CNC(=O)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722369 452951729 /nfs/dbraw/zinc/95/17/29/452951729.db2.gz QXZDJBAVGRRQDH-KURKYZTESA-N 1 3 331.460 1.907 20 0 EDADHO Cc1ccccc1C(=O)NC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250766 452976549 /nfs/dbraw/zinc/97/65/49/452976549.db2.gz NOWHGRSEARRHSD-QGZVFWFLSA-N 1 3 343.471 1.710 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)C1 ZINC000646003205 452997528 /nfs/dbraw/zinc/99/75/28/452997528.db2.gz WKGZBEHFARKPDT-HKUYNNGSSA-N 1 3 342.487 1.112 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)C1 ZINC000646003205 452997540 /nfs/dbraw/zinc/99/75/40/452997540.db2.gz WKGZBEHFARKPDT-HKUYNNGSSA-N 1 3 342.487 1.112 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645492 453031933 /nfs/dbraw/zinc/03/19/33/453031933.db2.gz UDDJXEOVXVBSTK-RBUKOAKNSA-N 1 3 344.503 1.390 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645492 453031944 /nfs/dbraw/zinc/03/19/44/453031944.db2.gz UDDJXEOVXVBSTK-RBUKOAKNSA-N 1 3 344.503 1.390 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000666676644 453060827 /nfs/dbraw/zinc/06/08/27/453060827.db2.gz KYMVBKCNXVMUPL-KRWDZBQOSA-N 1 3 345.491 1.963 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402924 453114621 /nfs/dbraw/zinc/11/46/21/453114621.db2.gz GPZZATQOSUXIKI-KGLIPLIRSA-N 1 3 334.464 1.992 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000666831396 453175790 /nfs/dbraw/zinc/17/57/90/453175790.db2.gz CIQQQUKVIBPONC-BBRMVZONSA-N 1 3 336.436 1.207 20 0 EDADHO CN(c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1)S(C)(=O)=O ZINC000656496769 453225757 /nfs/dbraw/zinc/22/57/57/453225757.db2.gz ZZDGVASQKYPVLN-UHFFFAOYSA-N 1 3 337.489 1.799 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666912847 453236181 /nfs/dbraw/zinc/23/61/81/453236181.db2.gz JBHZBSONGZQCHE-INIZCTEOSA-N 1 3 346.475 1.568 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000666912847 453236188 /nfs/dbraw/zinc/23/61/88/453236188.db2.gz JBHZBSONGZQCHE-INIZCTEOSA-N 1 3 346.475 1.568 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c1 ZINC000662525367 453245376 /nfs/dbraw/zinc/24/53/76/453245376.db2.gz HQCDSGKQOUIIPV-HNNXBMFYSA-N 1 3 327.432 1.478 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000653113388 453300229 /nfs/dbraw/zinc/30/02/29/453300229.db2.gz AUBARHFNBPUEOO-ZBFHGGJFSA-N 1 3 338.521 1.355 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151709 453339914 /nfs/dbraw/zinc/33/99/14/453339914.db2.gz POHGKWZVPJONDH-SJLPKXTDSA-N 1 3 332.492 1.388 20 0 EDADHO CC[N@H+](CCCNC(=O)NC[C@]1(O)CCN(C)C1)C1CCCCC1 ZINC000651219652 453372364 /nfs/dbraw/zinc/37/23/64/453372364.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 1 3 340.512 1.397 20 0 EDADHO CC[N@@H+](CCCNC(=O)NC[C@]1(O)CCN(C)C1)C1CCCCC1 ZINC000651219652 453372372 /nfs/dbraw/zinc/37/23/72/453372372.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 1 3 340.512 1.397 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651256281 453402480 /nfs/dbraw/zinc/40/24/80/453402480.db2.gz DLMCQVVOZIPVSI-KZNAEPCWSA-N 1 3 340.475 1.785 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662682537 453402527 /nfs/dbraw/zinc/40/25/27/453402527.db2.gz JFHCWKWFDGZZBR-INIZCTEOSA-N 1 3 342.447 1.907 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651256281 453402485 /nfs/dbraw/zinc/40/24/85/453402485.db2.gz DLMCQVVOZIPVSI-KZNAEPCWSA-N 1 3 340.475 1.785 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469678 453415865 /nfs/dbraw/zinc/41/58/65/453415865.db2.gz LIVMUSRDMFUXSX-OIJIEPSESA-N 1 3 335.492 1.652 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662710566 453434010 /nfs/dbraw/zinc/43/40/10/453434010.db2.gz HKXPSRGMGVLSHH-OAGGEKHMSA-N 1 3 348.495 1.585 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662715372 453440098 /nfs/dbraw/zinc/44/00/98/453440098.db2.gz NGVNRJCRYHWPJJ-HUUCEWRRSA-N 1 3 334.468 1.197 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449898 453536781 /nfs/dbraw/zinc/53/67/81/453536781.db2.gz UPEFYVCWTFCFLM-KSSFIOAISA-N 1 3 329.448 1.162 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000662801778 453537765 /nfs/dbraw/zinc/53/77/65/453537765.db2.gz LCLHFAPJMPXFHR-ZWKOTPCHSA-N 1 3 345.487 1.782 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857467 453572821 /nfs/dbraw/zinc/57/28/21/453572821.db2.gz BJSBADSOSWQRIZ-KURKYZTESA-N 1 3 331.460 1.258 20 0 EDADHO C[C@@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000662859906 453575738 /nfs/dbraw/zinc/57/57/38/453575738.db2.gz UZSFHJISQIRDDE-LJQANCHMSA-N 1 3 330.476 1.800 20 0 EDADHO COC1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665115007 453579711 /nfs/dbraw/zinc/57/97/11/453579711.db2.gz BAJSGTHUDMEZSK-FHERZECASA-N 1 3 328.501 1.515 20 0 EDADHO COC1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665115007 453579714 /nfs/dbraw/zinc/57/97/14/453579714.db2.gz BAJSGTHUDMEZSK-FHERZECASA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000660822793 453587581 /nfs/dbraw/zinc/58/75/81/453587581.db2.gz AFMAGBXFVFHYBW-DOTOQJQBSA-N 1 3 342.553 1.843 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@@H]21 ZINC000659040330 453594925 /nfs/dbraw/zinc/59/49/25/453594925.db2.gz FJUDSIXHJSKFFB-PVAVHDDUSA-N 1 3 330.432 1.515 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)C[C@@H]21 ZINC000659040330 453594928 /nfs/dbraw/zinc/59/49/28/453594928.db2.gz FJUDSIXHJSKFFB-PVAVHDDUSA-N 1 3 330.432 1.515 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCO[C@H]3CC3(F)F)CC2)CC1 ZINC000660835307 453596981 /nfs/dbraw/zinc/59/69/81/453596981.db2.gz UITWFXYISQSRPH-INIZCTEOSA-N 1 3 331.451 1.903 20 0 EDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620491 /nfs/dbraw/zinc/62/04/91/453620491.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 1 3 331.504 1.894 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620493 /nfs/dbraw/zinc/62/04/93/453620493.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 1 3 331.504 1.894 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CCO1 ZINC000662972786 453630992 /nfs/dbraw/zinc/63/09/92/453630992.db2.gz MDEUZQFAEGZFAY-WMZOPIPTSA-N 1 3 331.460 1.443 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000665291149 453638430 /nfs/dbraw/zinc/63/84/30/453638430.db2.gz VLEJNDCCRLHVSH-XJKSGUPXSA-N 1 3 333.480 1.774 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453663006 /nfs/dbraw/zinc/66/30/06/453663006.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453663008 /nfs/dbraw/zinc/66/30/08/453663008.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000665553170 453744717 /nfs/dbraw/zinc/74/47/17/453744717.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000665553170 453744719 /nfs/dbraw/zinc/74/47/19/453744719.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657307187 453762538 /nfs/dbraw/zinc/76/25/38/453762538.db2.gz CCSQAKMUOUGYIR-HXUWFJFHSA-N 1 3 347.503 1.972 20 0 EDADHO Cc1ncsc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513640 453813327 /nfs/dbraw/zinc/81/33/27/453813327.db2.gz SUFBDAKYJWLXHP-AWEZNQCLSA-N 1 3 346.504 1.964 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000672753965 486790595 /nfs/dbraw/zinc/79/05/95/486790595.db2.gz DBFKUSJTFCGKGS-WBVHZDCISA-N 1 3 334.464 1.691 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753965 486790599 /nfs/dbraw/zinc/79/05/99/486790599.db2.gz DBFKUSJTFCGKGS-WBVHZDCISA-N 1 3 334.464 1.691 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534944 486800126 /nfs/dbraw/zinc/80/01/26/486800126.db2.gz AYPDANCVLGFSHD-KBPBESRZSA-N 1 3 326.485 1.445 20 0 EDADHO CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CC[C@@H]1[NH3+] ZINC000667544688 486836580 /nfs/dbraw/zinc/83/65/80/486836580.db2.gz DQSGGXIHSQHVHR-HOCLYGCPSA-N 1 3 346.475 1.315 20 0 EDADHO CN1CC=C(CNc2nccnc2NCC2=CC[N@H+](C)CC2)CC1 ZINC000680960665 486907783 /nfs/dbraw/zinc/90/77/83/486907783.db2.gz FKDNIFHSONBBPO-UHFFFAOYSA-N 1 3 328.464 1.824 20 0 EDADHO CN1CC=C(CNc2nccnc2NCC2=CC[N@@H+](C)CC2)CC1 ZINC000680960665 486907793 /nfs/dbraw/zinc/90/77/93/486907793.db2.gz FKDNIFHSONBBPO-UHFFFAOYSA-N 1 3 328.464 1.824 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684174857 486969079 /nfs/dbraw/zinc/96/90/79/486969079.db2.gz MVCRDLVEUGENCD-IBGZPJMESA-N 1 3 349.475 1.156 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnccc1C ZINC000667811906 486976710 /nfs/dbraw/zinc/97/67/10/486976710.db2.gz ZNIKMMRHZSWALM-SFHVURJKSA-N 1 3 332.492 1.807 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnccc1C ZINC000667811906 486976715 /nfs/dbraw/zinc/97/67/15/486976715.db2.gz ZNIKMMRHZSWALM-SFHVURJKSA-N 1 3 332.492 1.807 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C2CC2)cn1 ZINC000667811069 486977284 /nfs/dbraw/zinc/97/72/84/486977284.db2.gz BZNZHVDFDPVCBT-GOSISDBHSA-N 1 3 347.507 1.635 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C2CC2)cn1 ZINC000667811069 486977289 /nfs/dbraw/zinc/97/72/89/486977289.db2.gz BZNZHVDFDPVCBT-GOSISDBHSA-N 1 3 347.507 1.635 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CC(OCc2ccccc2)C1 ZINC000673798030 487116246 /nfs/dbraw/zinc/11/62/46/487116246.db2.gz PFDTXRVPGBZZDE-UHFFFAOYSA-N 1 3 347.503 1.934 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000673868488 487140457 /nfs/dbraw/zinc/14/04/57/487140457.db2.gz ARCATKWHQYEVQU-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CN(C)c1ccc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000678218493 487267891 /nfs/dbraw/zinc/26/78/91/487267891.db2.gz UBFOMOOKWHFWEN-UHFFFAOYSA-N 1 3 333.480 1.037 20 0 EDADHO CN(C)Cc1ccsc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000674878015 487344059 /nfs/dbraw/zinc/34/40/59/487344059.db2.gz AHBDEAXYBVDUMR-UHFFFAOYSA-N 1 3 338.521 1.567 20 0 EDADHO CN(C)Cc1ccsc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000674878015 487344062 /nfs/dbraw/zinc/34/40/62/487344062.db2.gz AHBDEAXYBVDUMR-UHFFFAOYSA-N 1 3 338.521 1.567 20 0 EDADHO CN(C)Cc1ccsc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000674878015 487344065 /nfs/dbraw/zinc/34/40/65/487344065.db2.gz AHBDEAXYBVDUMR-UHFFFAOYSA-N 1 3 338.521 1.567 20 0 EDADHO CN(C)Cc1ccsc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000674878015 487344068 /nfs/dbraw/zinc/34/40/68/487344068.db2.gz AHBDEAXYBVDUMR-UHFFFAOYSA-N 1 3 338.521 1.567 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCN(C)S(C)(=O)=O)CC1 ZINC000675746694 487441084 /nfs/dbraw/zinc/44/10/84/487441084.db2.gz MQQFSBURIVHISQ-DOTOQJQBSA-N 1 3 345.553 1.901 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000669518721 485483769 /nfs/dbraw/zinc/48/37/69/485483769.db2.gz XVHHWRGLAKUJSC-UHFFFAOYSA-N 1 3 346.475 1.195 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669573788 485605685 /nfs/dbraw/zinc/60/56/85/485605685.db2.gz YINQGPPANHOHOM-FHWLQOOXSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668649543 485994469 /nfs/dbraw/zinc/99/44/69/485994469.db2.gz QLXFKIDMPOOMMV-FGTMMUONSA-N 1 3 330.476 1.553 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668661119 486009624 /nfs/dbraw/zinc/00/96/24/486009624.db2.gz KJPIFSHIQKDEGH-CGTJXYLNSA-N 1 3 348.491 1.827 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389585 486025727 /nfs/dbraw/zinc/02/57/27/486025727.db2.gz ZDGGSLOMGPIAGJ-GJZGRUSLSA-N 1 3 340.537 1.917 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N(C)Cc1ccccc1 ZINC000669474137 486227927 /nfs/dbraw/zinc/22/79/27/486227927.db2.gz CRILREUXVAPCTG-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(OC)c1 ZINC000668899938 486321581 /nfs/dbraw/zinc/32/15/81/486321581.db2.gz QXQCUFZUMHRTAD-DKRLNXSXSA-N 1 3 334.464 1.892 20 0 EDADHO COc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000682052239 491012071 /nfs/dbraw/zinc/01/20/71/491012071.db2.gz UIKWIOAXIMTNLP-UHFFFAOYSA-N 1 3 347.463 1.770 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000127607160 491016716 /nfs/dbraw/zinc/01/67/16/491016716.db2.gz JBVFJURHNPATQT-HUUCEWRRSA-N 1 3 329.448 1.538 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020070 /nfs/dbraw/zinc/02/00/70/491020070.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 1 3 349.519 1.522 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020071 /nfs/dbraw/zinc/02/00/71/491020071.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 1 3 349.519 1.522 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262638095 536448704 /nfs/dbraw/zinc/44/87/04/536448704.db2.gz ITJAHAIKSQDWQH-HIFRSBDPSA-N 1 3 332.448 1.178 20 0 EDADHO CC1CCN(CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000153489593 528243417 /nfs/dbraw/zinc/24/34/17/528243417.db2.gz XLPXDHURGWGQDJ-UHFFFAOYSA-N 1 3 340.512 1.207 20 0 EDADHO CC1CCN(CCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000153489593 528243422 /nfs/dbraw/zinc/24/34/22/528243422.db2.gz XLPXDHURGWGQDJ-UHFFFAOYSA-N 1 3 340.512 1.207 20 0 EDADHO CC(C)(CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCCC1 ZINC000262760557 535144288 /nfs/dbraw/zinc/14/42/88/535144288.db2.gz LKDCFMGFKXRGPH-HNNXBMFYSA-N 1 3 333.480 1.802 20 0 EDADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346650361 535157248 /nfs/dbraw/zinc/15/72/48/535157248.db2.gz CATLMNKZQKJATN-HOCLYGCPSA-N 1 3 347.507 1.787 20 0 EDADHO CCn1nccc1/C=C/C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000269931571 535593491 /nfs/dbraw/zinc/59/34/91/535593491.db2.gz AXDCVLIUYHKLMW-BBVFFXRHSA-N 1 3 347.507 1.791 20 0 EDADHO CCn1nccc1/C=C/C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000269931571 535593496 /nfs/dbraw/zinc/59/34/96/535593496.db2.gz AXDCVLIUYHKLMW-BBVFFXRHSA-N 1 3 347.507 1.791 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNCCOC ZINC000262627456 535771175 /nfs/dbraw/zinc/77/11/75/535771175.db2.gz CEUMRHDOHUVSCJ-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNCCOC ZINC000262627456 535771177 /nfs/dbraw/zinc/77/11/77/535771177.db2.gz CEUMRHDOHUVSCJ-GOSISDBHSA-N 1 3 333.476 1.593 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)CCCn2ccnc2C)CC1 ZINC000727861741 578540141 /nfs/dbraw/zinc/54/01/41/578540141.db2.gz JQZVBCZZUHXSOT-UHFFFAOYSA-N 1 3 335.496 1.506 20 0 EDADHO Cc1nccn1CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732561755 578718919 /nfs/dbraw/zinc/71/89/19/578718919.db2.gz BJEBKEROMLPMMX-SFHVURJKSA-N 1 3 347.507 1.599 20 0 EDADHO Cc1nccn1CCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732561755 578718920 /nfs/dbraw/zinc/71/89/20/578718920.db2.gz BJEBKEROMLPMMX-SFHVURJKSA-N 1 3 347.507 1.599 20 0 EDADHO Cc1nccn1CCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732561755 578718921 /nfs/dbraw/zinc/71/89/21/578718921.db2.gz BJEBKEROMLPMMX-SFHVURJKSA-N 1 3 347.507 1.599 20 0 EDADHO CN1CCC(NC(=S)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000735982717 578943882 /nfs/dbraw/zinc/94/38/82/578943882.db2.gz LPLIQLVSJKSTQC-AWEZNQCLSA-N 1 3 340.537 1.046 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCCO[C@H](C)C1 ZINC000761550477 580059098 /nfs/dbraw/zinc/05/90/98/580059098.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 1 3 342.553 1.436 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCCN1CCCO[C@H](C)C1 ZINC000761550477 580059099 /nfs/dbraw/zinc/05/90/99/580059099.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 1 3 342.553 1.436 20 0 EDADHO Cc1cc(C)n(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000747774549 579657774 /nfs/dbraw/zinc/65/77/74/579657774.db2.gz TVUZWPXWVMBZRH-UHFFFAOYSA-N 1 3 347.507 1.565 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000768478333 580214438 /nfs/dbraw/zinc/21/44/38/580214438.db2.gz BSUAJFKFYVJKDX-CABCVRRESA-N 1 3 326.554 1.865 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1CO ZINC000779764512 580496573 /nfs/dbraw/zinc/49/65/73/580496573.db2.gz QFRNMRSMQYSEEI-LJQANCHMSA-N 1 3 347.503 1.596 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccccc1CO ZINC000779764512 580496574 /nfs/dbraw/zinc/49/65/74/580496574.db2.gz QFRNMRSMQYSEEI-LJQANCHMSA-N 1 3 347.503 1.596 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC=CO3)CC2)CC1 ZINC000780363398 580519992 /nfs/dbraw/zinc/51/99/92/580519992.db2.gz PZNNAAJLXOIWEF-QGZVFWFLSA-N 1 3 336.480 1.537 20 0 EDADHO COCCCC1(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCC1 ZINC000891834776 590643257 /nfs/dbraw/zinc/64/32/57/590643257.db2.gz UTAKKWRXSMTFMB-UHFFFAOYSA-N 1 3 339.524 1.973 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857711 590659695 /nfs/dbraw/zinc/65/96/95/590659695.db2.gz DQFLCFHUSMNGQS-UONOGXRCSA-N 1 3 348.438 1.031 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000892020939 590751745 /nfs/dbraw/zinc/75/17/45/590751745.db2.gz DHEZIVWYUXPXSR-UHFFFAOYSA-N 1 3 326.485 1.256 20 0 EDADHO CN1CCN(C2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000892031032 590759942 /nfs/dbraw/zinc/75/99/42/590759942.db2.gz QAGTVODKIYUULI-SFHVURJKSA-N 1 3 345.491 1.108 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000892127658 590813177 /nfs/dbraw/zinc/81/31/77/590813177.db2.gz YBUXYQJYXWQBHT-IRXDYDNUSA-N 1 3 348.491 1.611 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892212494 590866867 /nfs/dbraw/zinc/86/68/67/590866867.db2.gz QWMPTYKDISVACU-NLWGTHIKSA-N 1 3 344.503 1.752 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000892212494 590866872 /nfs/dbraw/zinc/86/68/72/590866872.db2.gz QWMPTYKDISVACU-NLWGTHIKSA-N 1 3 344.503 1.752 20 0 EDADHO [NH3+][C@H](CCNC(=O)NCCNc1ccncc1)Cc1ccccc1 ZINC000892399339 591011033 /nfs/dbraw/zinc/01/10/33/591011033.db2.gz DEWSYHHIDXWRBX-MRXNPFEDSA-N 1 3 327.432 1.175 20 0 EDADHO [NH3+][C@H](CCNC(=O)NC[C@H]1CCCCN1CCO)Cc1ccccc1 ZINC000892407752 591015300 /nfs/dbraw/zinc/01/53/00/591015300.db2.gz DQYPYVQCVHSTME-QZTJIDSGSA-N 1 3 348.491 1.093 20 0 EDADHO [NH3+][C@H](CCNC(=O)NC[C@@H]1CCCN1CCCO)Cc1ccccc1 ZINC000892407913 591015380 /nfs/dbraw/zinc/01/53/80/591015380.db2.gz JAIQXVOLNGAYLF-MSOLQXFVSA-N 1 3 348.491 1.093 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891349473 591054377 /nfs/dbraw/zinc/05/43/77/591054377.db2.gz IJZDFFAADRFYDP-FRRDWIJNSA-N 1 3 336.402 1.639 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000891517878 591102982 /nfs/dbraw/zinc/10/29/82/591102982.db2.gz MQIWADAQWXSISP-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1Cc2ccccc2CN1)C1CCCC1 ZINC000891517878 591102986 /nfs/dbraw/zinc/10/29/86/591102986.db2.gz MQIWADAQWXSISP-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891540182 591116703 /nfs/dbraw/zinc/11/67/03/591116703.db2.gz MEEGQRCWGFNOBZ-XQQFMLRXSA-N 1 3 336.402 1.639 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000891659334 591172223 /nfs/dbraw/zinc/17/22/23/591172223.db2.gz DTBOQEXZGOEGAU-DJIMGWMZSA-N 1 3 330.476 1.871 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CN1C1CC1 ZINC000891661535 591173496 /nfs/dbraw/zinc/17/34/96/591173496.db2.gz RSLLQBJSFPHFBB-IIAWOOMASA-N 1 3 336.480 1.070 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894077995 591188291 /nfs/dbraw/zinc/18/82/91/591188291.db2.gz YKXCMLOIBIRURW-KDOFPFPSSA-N 1 3 343.475 1.726 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894077995 591188293 /nfs/dbraw/zinc/18/82/93/591188293.db2.gz YKXCMLOIBIRURW-KDOFPFPSSA-N 1 3 343.475 1.726 20 0 EDADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891751051 591210342 /nfs/dbraw/zinc/21/03/42/591210342.db2.gz UNGMEOSEXPFPTN-CQSZACIVSA-N 1 3 327.432 1.984 20 0 EDADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)ccn1 ZINC000891751051 591210346 /nfs/dbraw/zinc/21/03/46/591210346.db2.gz UNGMEOSEXPFPTN-CQSZACIVSA-N 1 3 327.432 1.984 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891778716 591220998 /nfs/dbraw/zinc/22/09/98/591220998.db2.gz KBXXHIMMEJATCU-SFHVURJKSA-N 1 3 348.491 1.359 20 0 EDADHO C[C@@H]1C[C@]2(CC[C@@H](CNC3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819276 591280892 /nfs/dbraw/zinc/28/08/92/591280892.db2.gz WIGDBEZRLAQNEU-UWWQBHOKSA-N 1 3 326.481 1.538 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000898585343 591423615 /nfs/dbraw/zinc/42/36/15/591423615.db2.gz TZPVXDXXHQZGHI-LBPRGKRZSA-N 1 3 335.427 1.704 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]cnc2c1F ZINC000898585343 591423617 /nfs/dbraw/zinc/42/36/17/591423617.db2.gz TZPVXDXXHQZGHI-LBPRGKRZSA-N 1 3 335.427 1.704 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CC(N4CCCC4)C3)CC2)CC1 ZINC000898605174 591433733 /nfs/dbraw/zinc/43/37/33/591433733.db2.gz RRGQRSUAOQKCAX-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCC[C@H]2C)CC1 ZINC000897488275 591492851 /nfs/dbraw/zinc/49/28/51/591492851.db2.gz ZIURPQJBHQJYIG-OAHLLOKOSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952321 /nfs/dbraw/zinc/95/23/21/591952321.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952323 /nfs/dbraw/zinc/95/23/23/591952323.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 1 3 336.524 1.536 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1([NH3+])CC1 ZINC000902345188 591977424 /nfs/dbraw/zinc/97/74/24/591977424.db2.gz BOGNGEXCHXMYPW-HNNXBMFYSA-N 1 3 330.476 1.482 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CC(F)(F)C(F)F)CC2)CC1 ZINC000900444924 592028557 /nfs/dbraw/zinc/02/85/57/592028557.db2.gz CMFWXCVWBIJRBZ-UHFFFAOYSA-N 1 3 339.377 1.952 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900615313 592071734 /nfs/dbraw/zinc/07/17/34/592071734.db2.gz VJUDYSZVPZFVHN-ROUUACIJSA-N 1 3 330.476 1.989 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900615313 592071736 /nfs/dbraw/zinc/07/17/36/592071736.db2.gz VJUDYSZVPZFVHN-ROUUACIJSA-N 1 3 330.476 1.989 20 0 EDADHO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000903277506 592150242 /nfs/dbraw/zinc/15/02/42/592150242.db2.gz ATVZXHOJSJNXDB-DFQSSKMNSA-N 1 3 347.503 1.180 20 0 EDADHO C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cccc(CN(C)C)c1 ZINC000903429971 592168180 /nfs/dbraw/zinc/16/81/80/592168180.db2.gz USFZFJNOJFDSHR-AWEZNQCLSA-N 1 3 330.432 1.751 20 0 EDADHO C[C@@H]1CN(Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1CC[NH3+] ZINC000903494896 592186888 /nfs/dbraw/zinc/18/68/88/592186888.db2.gz PQHXBLWXSSPQNH-UKRRQHHQSA-N 1 3 325.478 1.354 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903495938 592187864 /nfs/dbraw/zinc/18/78/64/592187864.db2.gz CMMOTMPRYORWHK-BRWVUGGUSA-N 1 3 333.476 1.795 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496096 592187867 /nfs/dbraw/zinc/18/78/67/592187867.db2.gz FGODCPMOOQNCDZ-JYYAWHABSA-N 1 3 331.460 1.932 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCCOC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903497315 592188323 /nfs/dbraw/zinc/18/83/23/592188323.db2.gz VLPJHQZYUMHUIL-HZPDHXFCSA-N 1 3 325.497 1.759 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCN1C ZINC000906650697 592234790 /nfs/dbraw/zinc/23/47/90/592234790.db2.gz MBRLMXVYFFTOHP-DOMZBBRYSA-N 1 3 332.448 1.418 20 0 EDADHO CCN1CCN(c2ccc(NC3CCN(CC[NH3+])CC3)c(C)c2)CC1 ZINC000904358860 592238919 /nfs/dbraw/zinc/23/89/19/592238919.db2.gz UBBSEWQEVSLIDM-UHFFFAOYSA-N 1 3 345.535 1.972 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000906675415 592256520 /nfs/dbraw/zinc/25/65/20/592256520.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 1 3 338.540 1.642 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000906675415 592256523 /nfs/dbraw/zinc/25/65/23/592256523.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 1 3 338.540 1.642 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904509387 592273567 /nfs/dbraw/zinc/27/35/67/592273567.db2.gz JEDAEKFYTXGUPP-ROUUACIJSA-N 1 3 346.475 1.859 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000904599430 592292689 /nfs/dbraw/zinc/29/26/89/592292689.db2.gz ZFMDJDYQBVOSFH-INIZCTEOSA-N 1 3 334.464 1.849 20 0 EDADHO Fc1cccc([C@H]2CNCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747754 592294165 /nfs/dbraw/zinc/29/41/65/592294165.db2.gz WOIACJRKKFHPSR-QZTJIDSGSA-N 1 3 333.451 1.931 20 0 EDADHO O=S(=O)(CCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749669 592294178 /nfs/dbraw/zinc/29/41/78/592294178.db2.gz ODWGCAGZKFUOOX-HZPDHXFCSA-N 1 3 337.489 1.750 20 0 EDADHO c1csc(N2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738118 592300640 /nfs/dbraw/zinc/30/06/40/592300640.db2.gz XXQUAICTFDQLNZ-HNNXBMFYSA-N 1 3 336.505 1.814 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cn2)CC1 ZINC000904672007 592309145 /nfs/dbraw/zinc/30/91/45/592309145.db2.gz JNZLAXLWPNVSSR-UHFFFAOYSA-N 1 3 344.463 1.801 20 0 EDADHO COCCCNC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794481 592317442 /nfs/dbraw/zinc/31/74/42/592317442.db2.gz WTMXZGBOGOTGTE-MRXNPFEDSA-N 1 3 333.476 1.520 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908115133 592328077 /nfs/dbraw/zinc/32/80/77/592328077.db2.gz MMPGPKMQOONUTD-VSZNYVQBSA-N 1 3 335.492 1.715 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000908115133 592328083 /nfs/dbraw/zinc/32/80/83/592328083.db2.gz MMPGPKMQOONUTD-VSZNYVQBSA-N 1 3 335.492 1.715 20 0 EDADHO NCC1([C@@H]2CCCC[N@@H+]2C[C@H](O)COC2CCOCC2)CCC1 ZINC000903812616 592330924 /nfs/dbraw/zinc/33/09/24/592330924.db2.gz UTTFOMWGXBHPMJ-RDJZCZTQSA-N 1 3 326.481 1.526 20 0 EDADHO NCC1([C@@H]2CCCC[N@H+]2C[C@H](O)COC2CCOCC2)CCC1 ZINC000903812616 592330929 /nfs/dbraw/zinc/33/09/29/592330929.db2.gz UTTFOMWGXBHPMJ-RDJZCZTQSA-N 1 3 326.481 1.526 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000908146444 592335559 /nfs/dbraw/zinc/33/55/59/592335559.db2.gz MAIOFAMFRVWNOG-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO COc1ccc(CN(CCCO)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831353 592336948 /nfs/dbraw/zinc/33/69/48/592336948.db2.gz IRTAQTCNWYXJCC-MOPGFXCFSA-N 1 3 334.460 1.648 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891094 592352286 /nfs/dbraw/zinc/35/22/86/592352286.db2.gz JNZIGQRIRQPLAJ-PKOBYXMFSA-N 1 3 349.523 1.033 20 0 EDADHO CN(CCCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1)Cc1ccco1 ZINC000908182453 592364384 /nfs/dbraw/zinc/36/43/84/592364384.db2.gz JKPSGQIBMOYDKA-GOSISDBHSA-N 1 3 337.464 1.407 20 0 EDADHO CN(CCCN(C)C(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cc1ccco1 ZINC000908182453 592364390 /nfs/dbraw/zinc/36/43/90/592364390.db2.gz JKPSGQIBMOYDKA-GOSISDBHSA-N 1 3 337.464 1.407 20 0 EDADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)C[C@]1(O)CCOC1 ZINC000905037124 592374686 /nfs/dbraw/zinc/37/46/86/592374686.db2.gz VYKPKLNFNCDTKN-RBUKOAKNSA-N 1 3 334.460 1.274 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199542 592377313 /nfs/dbraw/zinc/37/73/13/592377313.db2.gz GIIFNJYKGSPXSC-SJORKVTESA-N 1 3 342.443 1.572 20 0 EDADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199542 592377318 /nfs/dbraw/zinc/37/73/18/592377318.db2.gz GIIFNJYKGSPXSC-SJORKVTESA-N 1 3 342.443 1.572 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922981 592378650 /nfs/dbraw/zinc/37/86/50/592378650.db2.gz ISGZMKQBLNQISQ-NVXWUHKLSA-N 1 3 328.464 1.109 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922981 592378655 /nfs/dbraw/zinc/37/86/55/592378655.db2.gz ISGZMKQBLNQISQ-NVXWUHKLSA-N 1 3 328.464 1.109 20 0 EDADHO OCC1(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000905176007 592455489 /nfs/dbraw/zinc/45/54/89/592455489.db2.gz PLFCHYBARRBDLH-RCCFBDPRSA-N 1 3 340.508 1.258 20 0 EDADHO C[C@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000908357250 592476655 /nfs/dbraw/zinc/47/66/55/592476655.db2.gz FKQJLMXJLIHXQO-OAHLLOKOSA-N 1 3 333.480 1.391 20 0 EDADHO C[C@H]1CN(C(=O)c2ccnn2CCN(C)C)CC[N@H+](C2CCC2)C1 ZINC000908357250 592476658 /nfs/dbraw/zinc/47/66/58/592476658.db2.gz FKQJLMXJLIHXQO-OAHLLOKOSA-N 1 3 333.480 1.391 20 0 EDADHO OC1(CC[NH2+]CC2(O)CCOCC2)CCN(Cc2ccccc2)CC1 ZINC000905440507 592535071 /nfs/dbraw/zinc/53/50/71/592535071.db2.gz QNAHXFJNASYMCN-UHFFFAOYSA-N 1 3 348.487 1.535 20 0 EDADHO CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504485 592546793 /nfs/dbraw/zinc/54/67/93/592546793.db2.gz XMVKPGMUGRDABK-OBVSXPTNSA-N 1 3 328.497 1.233 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000907345596 592597998 /nfs/dbraw/zinc/59/79/98/592597998.db2.gz SNPUSKUNLBRAGM-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CC[C@@H](C(=O)N[C@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000907716742 592769773 /nfs/dbraw/zinc/76/97/73/592769773.db2.gz KCOPXQHQCFNBLJ-PMPSAXMXSA-N 1 3 342.528 1.266 20 0 EDADHO C[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CCN(C2CC2)C1 ZINC000840762878 592951725 /nfs/dbraw/zinc/95/17/25/592951725.db2.gz FMVLBBZVQXDIGA-AWEZNQCLSA-N 1 3 326.554 1.865 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000911703140 592990358 /nfs/dbraw/zinc/99/03/58/592990358.db2.gz BSSMXUFFBUMAEC-JWTNVVGKSA-N 1 3 345.487 1.959 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)CCc2ccc(OCCN(C)C)cc2)C1 ZINC000911737187 592993275 /nfs/dbraw/zinc/99/32/75/592993275.db2.gz RKSHDKZQJNFVJT-KRWDZBQOSA-N 1 3 333.476 1.770 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC000911764645 592999967 /nfs/dbraw/zinc/99/99/67/592999967.db2.gz NLDMRAUITKRPHN-INIZCTEOSA-N 1 3 344.459 1.825 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912297320 593083917 /nfs/dbraw/zinc/08/39/17/593083917.db2.gz OKTBCDRFCWFIKC-KRWDZBQOSA-N 1 3 338.540 1.782 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912297320 593083918 /nfs/dbraw/zinc/08/39/18/593083918.db2.gz OKTBCDRFCWFIKC-KRWDZBQOSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000912305413 593085386 /nfs/dbraw/zinc/08/53/86/593085386.db2.gz YLXMLHUBOANBNY-XKGZKEIXSA-N 1 3 347.503 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000912305413 593085387 /nfs/dbraw/zinc/08/53/87/593085387.db2.gz YLXMLHUBOANBNY-XKGZKEIXSA-N 1 3 347.503 1.467 20 0 EDADHO CN(C)C[C@H](NC(=S)NCCC[NH+](C)C)c1ccc(F)cc1 ZINC000806592848 593458824 /nfs/dbraw/zinc/45/88/24/593458824.db2.gz DZIQVTUBECPMGS-HNNXBMFYSA-N 1 3 326.485 1.844 20 0 EDADHO CC(C)(C)OC(=O)N1CCC([C@H](O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000818167757 593676821 /nfs/dbraw/zinc/67/68/21/593676821.db2.gz VGIABAKQPZRPBW-BZUAXINKSA-N 1 3 339.480 1.146 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000818973357 593731324 /nfs/dbraw/zinc/73/13/24/593731324.db2.gz WDUPZJLIQNPEFO-ZFWWWQNUSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000818973357 593731325 /nfs/dbraw/zinc/73/13/25/593731325.db2.gz WDUPZJLIQNPEFO-ZFWWWQNUSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000818973357 593731326 /nfs/dbraw/zinc/73/13/26/593731326.db2.gz WDUPZJLIQNPEFO-ZFWWWQNUSA-N 1 3 327.469 1.336 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1c(F)cccc1F ZINC000819174490 593742725 /nfs/dbraw/zinc/74/27/25/593742725.db2.gz QQDXZYZTDSPDFG-BRWVUGGUSA-N 1 3 340.414 1.966 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000824825536 594080574 /nfs/dbraw/zinc/08/05/74/594080574.db2.gz BFOXUUHGBYFQHH-UAGQMJEPSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000824825536 594080577 /nfs/dbraw/zinc/08/05/77/594080577.db2.gz BFOXUUHGBYFQHH-UAGQMJEPSA-N 1 3 325.497 1.722 20 0 EDADHO COc1cc(CNCCN2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000841044364 594843814 /nfs/dbraw/zinc/84/38/14/594843814.db2.gz DFNDSLZNBUQXJS-UHFFFAOYSA-N 1 3 333.432 1.005 20 0 EDADHO N[C@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843332013 595076718 /nfs/dbraw/zinc/07/67/18/595076718.db2.gz GHFJWNISDNXSQN-GFCCVEGCSA-N 1 3 341.358 1.516 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000844182337 595294530 /nfs/dbraw/zinc/29/45/30/595294530.db2.gz JHZUFXOYAPLXCU-QRQLOZEOSA-N 1 3 345.487 1.924 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC[C@@H](C)C3)CC2)CC1 ZINC000847608559 595456473 /nfs/dbraw/zinc/45/64/73/595456473.db2.gz CIJYEIOUPCQLAK-INIZCTEOSA-N 1 3 337.508 1.678 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000849094812 595480952 /nfs/dbraw/zinc/48/09/52/595480952.db2.gz GZUBFWABMURRNM-HNNXBMFYSA-N 1 3 346.475 1.388 20 0 EDADHO CCCCNC(=[NH2+])NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000849117862 595484964 /nfs/dbraw/zinc/48/49/64/595484964.db2.gz YSCVNHRGJUAHCD-UHFFFAOYSA-N 1 3 345.491 1.798 20 0 EDADHO O=C1[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753447 595526709 /nfs/dbraw/zinc/52/67/09/595526709.db2.gz BEDGVIPMLKRUIC-SJLPKXTDSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C1=NO[C@@H](CN)C1)Cc1ccccc1 ZINC000852859075 595581012 /nfs/dbraw/zinc/58/10/12/595581012.db2.gz NUPUNHQCNDHECT-JKSUJKDBSA-N 1 3 332.448 1.159 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852871952 595591495 /nfs/dbraw/zinc/59/14/95/595591495.db2.gz FZAFAXQOMWJTCN-DLBZAZTESA-N 1 3 344.459 1.461 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852871952 595591498 /nfs/dbraw/zinc/59/14/98/595591498.db2.gz FZAFAXQOMWJTCN-DLBZAZTESA-N 1 3 344.459 1.461 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873135 595591648 /nfs/dbraw/zinc/59/16/48/595591648.db2.gz WKMDYYKIQVHLFQ-DLBZAZTESA-N 1 3 332.448 1.131 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000850750416 595621335 /nfs/dbraw/zinc/62/13/35/595621335.db2.gz XGSUXGJFDLAIAZ-MRXNPFEDSA-N 1 3 348.447 1.399 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1Cl ZINC000855347163 595681796 /nfs/dbraw/zinc/68/17/96/595681796.db2.gz WMUOVZUEIMEXDG-LBPRGKRZSA-N 1 3 342.871 1.745 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1Cl ZINC000855347163 595681798 /nfs/dbraw/zinc/68/17/98/595681798.db2.gz WMUOVZUEIMEXDG-LBPRGKRZSA-N 1 3 342.871 1.745 20 0 EDADHO COC(=O)N1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000850357892 595817320 /nfs/dbraw/zinc/81/73/20/595817320.db2.gz XMBJXQPKTIHTIV-SFHVURJKSA-N 1 3 347.459 1.574 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851665846 595875349 /nfs/dbraw/zinc/87/53/49/595875349.db2.gz DDVCMTALXILZJI-KGLIPLIRSA-N 1 3 330.423 1.405 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(CC4([NH3+])CC4)n3)cn2)CC1 ZINC000854146165 595989427 /nfs/dbraw/zinc/98/94/27/595989427.db2.gz FAOYJXLFTBSOPE-UHFFFAOYSA-N 1 3 328.420 1.307 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000859215072 596006179 /nfs/dbraw/zinc/00/61/79/596006179.db2.gz YAIMVSYAPAWCHV-MOPGFXCFSA-N 1 3 336.476 1.737 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000852035289 596016585 /nfs/dbraw/zinc/01/65/85/596016585.db2.gz LOCOVONVHROSEC-OWCLPIDISA-N 1 3 343.512 1.923 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000852035289 596016588 /nfs/dbraw/zinc/01/65/88/596016588.db2.gz LOCOVONVHROSEC-OWCLPIDISA-N 1 3 343.512 1.923 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000861555938 596029229 /nfs/dbraw/zinc/02/92/29/596029229.db2.gz YNWBCLPYTTWCOP-KRWDZBQOSA-N 1 3 347.507 1.183 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045975 /nfs/dbraw/zinc/04/59/75/596045975.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 1 3 337.489 1.294 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045981 /nfs/dbraw/zinc/04/59/81/596045981.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 1 3 337.489 1.294 20 0 EDADHO C[C@@H](CNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N(C)C ZINC000868677531 596268110 /nfs/dbraw/zinc/26/81/10/596268110.db2.gz ODIIMXYDRCCKOF-INIZCTEOSA-N 1 3 332.492 1.899 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870945057 596414988 /nfs/dbraw/zinc/41/49/88/596414988.db2.gz NXMVYWUYYBSYIA-LLVKDONJSA-N 1 3 330.404 1.337 20 0 EDADHO Cc1cccc(OCCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549849 596614491 /nfs/dbraw/zinc/61/44/91/596614491.db2.gz KAIZCHQKFDBMTF-MSOLQXFVSA-N 1 3 345.443 1.631 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CCCC(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017504 596709627 /nfs/dbraw/zinc/70/96/27/596709627.db2.gz PKNKXUGIHPXPCR-HZPDHXFCSA-N 1 3 339.524 1.970 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccnn1C ZINC000868210079 596725358 /nfs/dbraw/zinc/72/53/58/596725358.db2.gz BGKYMLUCZINJBE-CQSZACIVSA-N 1 3 348.495 1.339 20 0 EDADHO CCN1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868225297 596734850 /nfs/dbraw/zinc/73/48/50/596734850.db2.gz QJZWIABNRLIXAU-JKSUJKDBSA-N 1 3 330.432 1.040 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868254954 596749722 /nfs/dbraw/zinc/74/97/22/596749722.db2.gz KGHQUHKMCHUBDX-OWCLPIDISA-N 1 3 330.432 1.040 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868297297 596773738 /nfs/dbraw/zinc/77/37/38/596773738.db2.gz HWYXBIMQOIJHMB-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO Cc1ccc(CCCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000872256948 596857306 /nfs/dbraw/zinc/85/73/06/596857306.db2.gz GMVYOIZLRKSJOV-BBWFWOEESA-N 1 3 330.432 1.190 20 0 EDADHO C[C@H](NCc1ccncc1O[C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000864370476 596872438 /nfs/dbraw/zinc/87/24/38/596872438.db2.gz PUBIRBFYRVVIKN-ZFWWWQNUSA-N 1 3 330.436 1.327 20 0 EDADHO CN(C)CCn1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000866412328 596880107 /nfs/dbraw/zinc/88/01/07/596880107.db2.gz DYLMSFOGAYOSPO-UHFFFAOYSA-N 1 3 347.507 1.972 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000874431694 597075422 /nfs/dbraw/zinc/07/54/22/597075422.db2.gz BFLRQAROIXOTQW-AOIWGVFYSA-N 1 3 328.460 1.845 20 0 EDADHO COC(=O)C(C)(C)CC[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873215518 597230472 /nfs/dbraw/zinc/23/04/72/597230472.db2.gz BSGZPOCEHCQNOW-UHFFFAOYSA-N 1 3 331.420 1.405 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)n2)CC1 ZINC000873323102 597256475 /nfs/dbraw/zinc/25/64/75/597256475.db2.gz MJIZXKVKCHXTSF-SUMWQHHRSA-N 1 3 332.452 1.223 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876765915 597330414 /nfs/dbraw/zinc/33/04/14/597330414.db2.gz WQIPQMKPBAZJBG-GJZGRUSLSA-N 1 3 343.512 1.802 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782601 597338770 /nfs/dbraw/zinc/33/87/70/597338770.db2.gz XTFJNSXRWGUJDL-ZWKOTPCHSA-N 1 3 344.503 1.424 20 0 EDADHO C[N@H+](CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349610 /nfs/dbraw/zinc/34/96/10/597349610.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 1 3 326.485 1.005 20 0 EDADHO C[N@@H+](CCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349612 /nfs/dbraw/zinc/34/96/12/597349612.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 1 3 326.485 1.005 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C(F)(F)F ZINC000877354875 597499433 /nfs/dbraw/zinc/49/94/33/597499433.db2.gz DYVKKDYEESWHLE-ZJUUUORDSA-N 1 3 333.379 1.603 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361480 597724961 /nfs/dbraw/zinc/72/49/61/597724961.db2.gz DVWJLNPZKIVAKI-MNOVXSKESA-N 1 3 332.313 1.388 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883416265 597739203 /nfs/dbraw/zinc/73/92/03/597739203.db2.gz QMEDFLLLJHYEBC-INIZCTEOSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424064 597741898 /nfs/dbraw/zinc/74/18/98/597741898.db2.gz DRQKQPJJBFGLFQ-STQMWFEESA-N 1 3 337.386 1.493 20 0 EDADHO Brc1ccccc1CCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000883430287 597744066 /nfs/dbraw/zinc/74/40/66/597744066.db2.gz RJKGIKSWTNNVOI-OAHLLOKOSA-N 1 3 338.293 1.971 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431740 597744400 /nfs/dbraw/zinc/74/44/00/597744400.db2.gz CMDFDFMNOARBBF-HOTGVXAUSA-N 1 3 335.452 1.102 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431740 597744401 /nfs/dbraw/zinc/74/44/01/597744401.db2.gz CMDFDFMNOARBBF-HOTGVXAUSA-N 1 3 335.452 1.102 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259726 597885890 /nfs/dbraw/zinc/88/58/90/597885890.db2.gz ZVMPOWPOEJGZDQ-SJLPKXTDSA-N 1 3 333.476 1.896 20 0 EDADHO COCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000884179388 598016249 /nfs/dbraw/zinc/01/62/49/598016249.db2.gz MYIUZWJUUGYQNX-SJORKVTESA-N 1 3 335.448 1.312 20 0 EDADHO CC1(N2CCC2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000882767438 598050578 /nfs/dbraw/zinc/05/05/78/598050578.db2.gz NUVXMHHGKRTOON-UHFFFAOYSA-N 1 3 329.510 1.362 20 0 EDADHO C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1CCn1cccn1 ZINC000993929367 696448498 /nfs/dbraw/zinc/44/84/98/696448498.db2.gz PKWMLAAXRJWBPW-WMZOPIPTSA-N 1 3 347.507 1.584 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)c1cccnc1 ZINC000918894976 697221418 /nfs/dbraw/zinc/22/14/18/697221418.db2.gz ZDYNPRRVEMSUAU-DOTOQJQBSA-N 1 3 331.464 1.610 20 0 EDADHO C[C@H](C#N)Oc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000237567741 698017390 /nfs/dbraw/zinc/01/73/90/698017390.db2.gz WGVPROVORSYTDX-NVXWUHKLSA-N 1 3 344.459 1.654 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729618 698055627 /nfs/dbraw/zinc/05/56/27/698055627.db2.gz RDBZVVXQZSSERG-DLBZAZTESA-N 1 3 325.497 1.437 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729618 698055631 /nfs/dbraw/zinc/05/56/31/698055631.db2.gz RDBZVVXQZSSERG-DLBZAZTESA-N 1 3 325.497 1.437 20 0 EDADHO O=C(N1CCN(C2CN(CCC3CC3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000941475676 701551470 /nfs/dbraw/zinc/55/14/70/701551470.db2.gz UMLPOQZBYRODBQ-UHFFFAOYSA-N 1 3 346.519 1.243 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566972 701585459 /nfs/dbraw/zinc/58/54/59/701585459.db2.gz NHNVQSOCRLKJMM-APWZRJJASA-N 1 3 348.535 1.203 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566972 701585460 /nfs/dbraw/zinc/58/54/60/701585460.db2.gz NHNVQSOCRLKJMM-APWZRJJASA-N 1 3 348.535 1.203 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cncc(F)c1 ZINC000939257040 699434433 /nfs/dbraw/zinc/43/44/33/699434433.db2.gz IULPSMULOPDVPG-KBXCAEBGSA-N 1 3 348.466 1.889 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cncn1C ZINC000939259709 699437488 /nfs/dbraw/zinc/43/74/88/699437488.db2.gz VUPKBQFEMLHAFP-PBHICJAKSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939395898 699545798 /nfs/dbraw/zinc/54/57/98/699545798.db2.gz HSBJHJCPPNZKFV-AEFFLSMTSA-N 1 3 330.476 1.750 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC(C)(C)C)C3)CC2)C1 ZINC000941665565 701619361 /nfs/dbraw/zinc/61/93/61/701619361.db2.gz JVMJRTOADSBHCA-INIZCTEOSA-N 1 3 336.524 1.203 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CCC(C)(C)C)C3)CC2)C1 ZINC000941665565 701619362 /nfs/dbraw/zinc/61/93/62/701619362.db2.gz JVMJRTOADSBHCA-INIZCTEOSA-N 1 3 336.524 1.203 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000940149624 700282621 /nfs/dbraw/zinc/28/26/21/700282621.db2.gz MQYICBWZJVIJCV-QGZVFWFLSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN(C)C3CCC3)CC2)on1 ZINC000940154400 700284720 /nfs/dbraw/zinc/28/47/20/700284720.db2.gz WYRKRTLEUKQOFB-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)(NCc2cnns2)CC1)[NH+](C)C ZINC000940163108 700297435 /nfs/dbraw/zinc/29/74/35/700297435.db2.gz SFIWBODDGLDZHJ-AWEZNQCLSA-N 1 3 339.509 1.595 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875271 700374582 /nfs/dbraw/zinc/37/45/82/700374582.db2.gz LQLGGMOJFVNFMQ-HNNXBMFYSA-N 1 3 333.476 1.487 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940461767 700665260 /nfs/dbraw/zinc/66/52/60/700665260.db2.gz JTVQUQQSKWCNBP-HNNXBMFYSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940461767 700665261 /nfs/dbraw/zinc/66/52/61/700665261.db2.gz JTVQUQQSKWCNBP-HNNXBMFYSA-N 1 3 333.480 1.151 20 0 EDADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975280 /nfs/dbraw/zinc/97/52/80/700975280.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 1 3 349.519 1.866 20 0 EDADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975282 /nfs/dbraw/zinc/97/52/82/700975282.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 1 3 349.519 1.866 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2cccnc2)C1 ZINC000999171199 706601144 /nfs/dbraw/zinc/60/11/44/706601144.db2.gz URQFZXULABFZDJ-MSOLQXFVSA-N 1 3 328.460 1.504 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460301 701544222 /nfs/dbraw/zinc/54/42/22/701544222.db2.gz PDLUSDRZWYUYCL-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC1(C)C ZINC000995822239 702091402 /nfs/dbraw/zinc/09/14/02/702091402.db2.gz LFEVXBJTZPYLTC-GJZGRUSLSA-N 1 3 325.497 1.458 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)N(C)C ZINC000995951587 702315168 /nfs/dbraw/zinc/31/51/68/702315168.db2.gz PVMQYUHXPGHPPN-CVEARBPZSA-N 1 3 335.496 1.129 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186427 702325802 /nfs/dbraw/zinc/32/58/02/702325802.db2.gz QBYPHXSOZPNUQS-LSDHHAIUSA-N 1 3 329.435 1.812 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186427 702325808 /nfs/dbraw/zinc/32/58/08/702325808.db2.gz QBYPHXSOZPNUQS-LSDHHAIUSA-N 1 3 329.435 1.812 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994437 702594540 /nfs/dbraw/zinc/59/45/40/702594540.db2.gz YCXNVWGWAFZFFZ-LZQZEXGQSA-N 1 3 345.487 1.415 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994437 702594543 /nfs/dbraw/zinc/59/45/43/702594543.db2.gz YCXNVWGWAFZFFZ-LZQZEXGQSA-N 1 3 345.487 1.415 20 0 EDADHO Cn1cc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996248718 702651441 /nfs/dbraw/zinc/65/14/41/702651441.db2.gz OHOZEUFLQRWRIF-INIZCTEOSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996517007 702852500 /nfs/dbraw/zinc/85/25/00/702852500.db2.gz DCJCQOQNJOLMNA-NVXWUHKLSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996517007 702852503 /nfs/dbraw/zinc/85/25/03/702852503.db2.gz DCJCQOQNJOLMNA-NVXWUHKLSA-N 1 3 345.491 1.453 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624197 702921762 /nfs/dbraw/zinc/92/17/62/702921762.db2.gz WYLRFMWILURYFW-QZTJIDSGSA-N 1 3 335.492 1.620 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616451 702923790 /nfs/dbraw/zinc/92/37/90/702923790.db2.gz SBGGSBRPVIJGNN-WBVHZDCISA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cccnc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616451 702923793 /nfs/dbraw/zinc/92/37/93/702923793.db2.gz SBGGSBRPVIJGNN-WBVHZDCISA-N 1 3 330.476 1.668 20 0 EDADHO C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC000996661763 702959068 /nfs/dbraw/zinc/95/90/68/702959068.db2.gz AAZLYDWRNAEAQZ-JKSUJKDBSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)nn1C ZINC000996666466 702963153 /nfs/dbraw/zinc/96/31/53/702963153.db2.gz SBDBUEMKMPVVCX-UHFFFAOYSA-N 1 3 333.480 1.293 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000996667199 702964263 /nfs/dbraw/zinc/96/42/63/702964263.db2.gz UXQWMXKEEQSBKK-UHFFFAOYSA-N 1 3 337.508 1.866 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C1CCC1 ZINC000996665593 702968037 /nfs/dbraw/zinc/96/80/37/702968037.db2.gz NBIKUDDSISSCJT-UHFFFAOYSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)ncn1 ZINC000996694279 702991431 /nfs/dbraw/zinc/99/14/31/702991431.db2.gz SFKKBWXJZLELFR-KRWDZBQOSA-N 1 3 333.480 1.452 20 0 EDADHO COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)n1 ZINC000996721993 703016905 /nfs/dbraw/zinc/01/69/05/703016905.db2.gz IFDXTTLLFJTFKM-MRXNPFEDSA-N 1 3 347.463 1.050 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001032027412 703049349 /nfs/dbraw/zinc/04/93/49/703049349.db2.gz RCCBABXMYPOXNU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001032027412 703049351 /nfs/dbraw/zinc/04/93/51/703049351.db2.gz RCCBABXMYPOXNU-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026319 703052467 /nfs/dbraw/zinc/05/24/67/703052467.db2.gz CDVXYIHQDRPDTJ-AEFFLSMTSA-N 1 3 337.508 1.724 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996867154 703140013 /nfs/dbraw/zinc/14/00/13/703140013.db2.gz CTQDDAKITGVNCP-UHFFFAOYSA-N 1 3 347.507 1.858 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996933283 703202899 /nfs/dbraw/zinc/20/28/99/703202899.db2.gz GMMVGFUGTNYATI-UHFFFAOYSA-N 1 3 343.431 1.526 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000996963582 703232170 /nfs/dbraw/zinc/23/21/70/703232170.db2.gz FGNJEGKMOZPZQM-GOSISDBHSA-N 1 3 347.507 1.496 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000996999071 703255950 /nfs/dbraw/zinc/25/59/50/703255950.db2.gz LTYZAMLFPFLELB-AWEZNQCLSA-N 1 3 331.464 1.350 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2c(C)nnn2CC)CC1)N(C)C ZINC000997008768 703267239 /nfs/dbraw/zinc/26/72/39/703267239.db2.gz GHGNSTHQKSBEHM-HNNXBMFYSA-N 1 3 336.484 1.027 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000997040339 703291142 /nfs/dbraw/zinc/29/11/42/703291142.db2.gz FWMXLJJXWYDDJS-UHFFFAOYSA-N 1 3 340.427 1.763 20 0 EDADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085686 703331130 /nfs/dbraw/zinc/33/11/30/703331130.db2.gz SREJBWRNIBSLFH-GOEBONIOSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085686 703331133 /nfs/dbraw/zinc/33/11/33/703331133.db2.gz SREJBWRNIBSLFH-GOEBONIOSA-N 1 3 349.504 1.636 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997093463 703340674 /nfs/dbraw/zinc/34/06/74/703340674.db2.gz OCRIPXDFGGMERE-DLBZAZTESA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000997093463 703340676 /nfs/dbraw/zinc/34/06/76/703340676.db2.gz OCRIPXDFGGMERE-DLBZAZTESA-N 1 3 345.491 1.518 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119407 703376146 /nfs/dbraw/zinc/37/61/46/703376146.db2.gz IHVOQNLWLUSTAZ-NVXWUHKLSA-N 1 3 325.497 1.724 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997184117 703469655 /nfs/dbraw/zinc/46/96/55/703469655.db2.gz MQTDBYCNQXJWOA-NVXWUHKLSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997366142 703599791 /nfs/dbraw/zinc/59/97/91/703599791.db2.gz YTUMVFKLNCIDMO-UHFFFAOYSA-N 1 3 333.480 1.377 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000997366464 703600530 /nfs/dbraw/zinc/60/05/30/703600530.db2.gz BGGBKNHMYRYZRB-SFHVURJKSA-N 1 3 347.507 1.684 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000997366464 703600532 /nfs/dbraw/zinc/60/05/32/703600532.db2.gz BGGBKNHMYRYZRB-SFHVURJKSA-N 1 3 347.507 1.684 20 0 EDADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294715 /nfs/dbraw/zinc/29/47/15/704294715.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 1 3 349.519 1.820 20 0 EDADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294718 /nfs/dbraw/zinc/29/47/18/704294718.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 1 3 349.519 1.820 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457349 704450685 /nfs/dbraw/zinc/45/06/85/704450685.db2.gz KEIQMLWSHLGHME-MSOLQXFVSA-N 1 3 337.508 1.412 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457349 704450687 /nfs/dbraw/zinc/45/06/87/704450687.db2.gz KEIQMLWSHLGHME-MSOLQXFVSA-N 1 3 337.508 1.412 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840493 704756754 /nfs/dbraw/zinc/75/67/54/704756754.db2.gz NUQBCDMXYSKRIY-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997840493 704756755 /nfs/dbraw/zinc/75/67/55/704756755.db2.gz NUQBCDMXYSKRIY-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1)c1cnccn1 ZINC000997865273 704772551 /nfs/dbraw/zinc/77/25/51/704772551.db2.gz NBOUNSSFAVNPGI-YJBOKZPZSA-N 1 3 345.491 1.850 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997865205 704772558 /nfs/dbraw/zinc/77/25/58/704772558.db2.gz MHTVUDGOILCUQG-INIZCTEOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cn1 ZINC000998046985 705243105 /nfs/dbraw/zinc/24/31/05/705243105.db2.gz LQKQZWAMZSFBLV-GOSISDBHSA-N 1 3 347.507 1.699 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000998081680 705302854 /nfs/dbraw/zinc/30/28/54/705302854.db2.gz LVNBQWNBAGANKJ-AWEZNQCLSA-N 1 3 334.464 1.653 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999339926 706831532 /nfs/dbraw/zinc/83/15/32/706831532.db2.gz RKBGUOARBHPHSR-UHFFFAOYSA-N 1 3 348.491 1.966 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)C1CCC1 ZINC000999373579 706868337 /nfs/dbraw/zinc/86/83/37/706868337.db2.gz GTBVZKDCJHOKFT-WBVHZDCISA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376374 706870852 /nfs/dbraw/zinc/87/08/52/706870852.db2.gz WBEBXYROGXAZIP-DLBZAZTESA-N 1 3 331.464 1.206 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364339 706878155 /nfs/dbraw/zinc/87/81/55/706878155.db2.gz MJYHUVQZSRKTDY-INIZCTEOSA-N 1 3 334.439 1.786 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999402692 706910977 /nfs/dbraw/zinc/91/09/77/706910977.db2.gz JAWFLMBNAPHSSE-OOHWJJMZSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999402692 706910981 /nfs/dbraw/zinc/91/09/81/706910981.db2.gz JAWFLMBNAPHSSE-OOHWJJMZSA-N 1 3 346.475 1.511 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999403090 706911478 /nfs/dbraw/zinc/91/14/78/706911478.db2.gz NFEJYVIAZZIKKH-UHFFFAOYSA-N 1 3 330.476 1.893 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999403684 706912739 /nfs/dbraw/zinc/91/27/39/706912739.db2.gz XRRUFSMSOXIOTF-HZPDHXFCSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403684 706912740 /nfs/dbraw/zinc/91/27/40/706912740.db2.gz XRRUFSMSOXIOTF-HZPDHXFCSA-N 1 3 333.480 1.375 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999404800 706913743 /nfs/dbraw/zinc/91/37/43/706913743.db2.gz CKTAPJNLVIYQJG-JEYLPNPQSA-N 1 3 334.464 1.800 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999404800 706913745 /nfs/dbraw/zinc/91/37/45/706913745.db2.gz CKTAPJNLVIYQJG-JEYLPNPQSA-N 1 3 334.464 1.800 20 0 EDADHO COc1ccc(F)cc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999831896 707462136 /nfs/dbraw/zinc/46/21/36/707462136.db2.gz NGTZWPRQCPVCDH-NVPAJSRCSA-N 1 3 349.450 1.865 20 0 EDADHO COc1ccc(F)cc1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999831896 707462138 /nfs/dbraw/zinc/46/21/38/707462138.db2.gz NGTZWPRQCPVCDH-NVPAJSRCSA-N 1 3 349.450 1.865 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033358892 707683685 /nfs/dbraw/zinc/68/36/85/707683685.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(CCc3ccnn3C)C2)CC[N@H+]1C ZINC001033358892 707683688 /nfs/dbraw/zinc/68/36/88/707683688.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 1 3 347.507 1.226 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001033592890 708292159 /nfs/dbraw/zinc/29/21/59/708292159.db2.gz JAIRJVIOPXJDAM-KRWDZBQOSA-N 1 3 343.471 1.694 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001005474329 709110489 /nfs/dbraw/zinc/11/04/89/709110489.db2.gz BSFSYZKZCLVWPR-SFHVURJKSA-N 1 3 347.507 1.680 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC001005474329 709110491 /nfs/dbraw/zinc/11/04/91/709110491.db2.gz BSFSYZKZCLVWPR-SFHVURJKSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CCCO)C1 ZINC001034014282 709224135 /nfs/dbraw/zinc/22/41/35/709224135.db2.gz AQOTVEMTBQCUGB-SFHVURJKSA-N 1 3 337.508 1.414 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001002954554 709654106 /nfs/dbraw/zinc/65/41/06/709654106.db2.gz DHYFQDYRDKXCGU-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628670 710458534 /nfs/dbraw/zinc/45/85/34/710458534.db2.gz SNWIOTMJFUJEQE-RDTXWAMCSA-N 1 3 343.487 1.814 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631134 710460253 /nfs/dbraw/zinc/46/02/53/710460253.db2.gz RKFLATWWRKMINZ-IAGOWNOFSA-N 1 3 337.508 1.726 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001003739400 710519772 /nfs/dbraw/zinc/51/97/72/710519772.db2.gz CQSRTSJFSWNJSY-WBVHZDCISA-N 1 3 325.497 1.865 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034659703 710589081 /nfs/dbraw/zinc/58/90/81/710589081.db2.gz YBNJKBLENMHFPU-BQFCYCMXSA-N 1 3 347.507 1.812 20 0 EDADHO Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001034734278 710915349 /nfs/dbraw/zinc/91/53/49/710915349.db2.gz LZFKQBJHHXXZTP-KBRIMQKVSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC001034735013 710919059 /nfs/dbraw/zinc/91/90/59/710919059.db2.gz DDWVIICVOXBGRC-ZTFGCOKTSA-N 1 3 345.491 1.786 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001034737794 710950995 /nfs/dbraw/zinc/95/09/95/710950995.db2.gz MVXPDLFBIJQLSH-IIVZCXTMSA-N 1 3 347.507 1.443 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC001034737794 710950997 /nfs/dbraw/zinc/95/09/97/710950997.db2.gz MVXPDLFBIJQLSH-IIVZCXTMSA-N 1 3 347.507 1.443 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738589 710954472 /nfs/dbraw/zinc/95/44/72/710954472.db2.gz ULEGIPCXSWYNRA-KBUPBQIOSA-N 1 3 336.505 1.858 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738589 710954476 /nfs/dbraw/zinc/95/44/76/710954476.db2.gz ULEGIPCXSWYNRA-KBUPBQIOSA-N 1 3 336.505 1.858 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034749247 710956607 /nfs/dbraw/zinc/95/66/07/710956607.db2.gz IXWXCPKXPPZOBU-VGWMRTNUSA-N 1 3 338.496 1.140 20 0 EDADHO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1)C(N)=O ZINC001034796239 711116283 /nfs/dbraw/zinc/11/62/83/711116283.db2.gz GMFUKDMWDYXKAX-KBRIMQKVSA-N 1 3 346.475 1.253 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034797136 711130610 /nfs/dbraw/zinc/13/06/10/711130610.db2.gz WTNXIJHONNRMSA-XSLAGTTESA-N 1 3 347.507 1.773 20 0 EDADHO CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034881286 711281593 /nfs/dbraw/zinc/28/15/93/711281593.db2.gz GQFFYVPFIWKWKT-IEBWSBKVSA-N 1 3 344.503 1.927 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001004053324 711375167 /nfs/dbraw/zinc/37/51/67/711375167.db2.gz OLDROPWRYBINOJ-UHFFFAOYSA-N 1 3 334.464 1.658 20 0 EDADHO CCc1nc(C)c(CNC[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001034960440 711428276 /nfs/dbraw/zinc/42/82/76/711428276.db2.gz KJRQNJNPNUDUHB-QAPCUYQASA-N 1 3 348.491 1.966 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cncc(F)c2)CC[N@@H+]1C ZINC001034939642 711442333 /nfs/dbraw/zinc/44/23/33/711442333.db2.gz IWKVJJZPKHBZPP-KBRIMQKVSA-N 1 3 334.439 1.642 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2cncc(F)c2)CC[N@H+]1C ZINC001034939642 711442334 /nfs/dbraw/zinc/44/23/34/711442334.db2.gz IWKVJJZPKHBZPP-KBRIMQKVSA-N 1 3 334.439 1.642 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546062 711957048 /nfs/dbraw/zinc/95/70/48/711957048.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546062 711957050 /nfs/dbraw/zinc/95/70/50/711957050.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCCC1 ZINC000173812370 231041425 /nfs/dbraw/zinc/04/14/25/231041425.db2.gz IZFYNYMAGBJKPV-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000173924168 231071484 /nfs/dbraw/zinc/07/14/84/231071484.db2.gz KTSOYNBVTRTHHV-UHFFFAOYSA-N 1 3 334.468 1.537 20 0 EDADHO CN(c1ccccc1CNCCNC(=O)C1CC1)C1CC[NH+](C)CC1 ZINC000132737568 530037260 /nfs/dbraw/zinc/03/72/60/530037260.db2.gz IVZBNIWKJPDVQS-UHFFFAOYSA-N 1 3 344.503 1.833 20 0 EDADHO CCN1CCN(CCC(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000101652927 219152374 /nfs/dbraw/zinc/15/23/74/219152374.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 1 3 346.519 1.782 20 0 EDADHO CCN1CCN(CCC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000101652927 219152376 /nfs/dbraw/zinc/15/23/76/219152376.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 1 3 346.519 1.782 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700038 /nfs/dbraw/zinc/70/00/38/539700038.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 1 3 343.519 1.940 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700040 /nfs/dbraw/zinc/70/00/40/539700040.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 1 3 343.519 1.940 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]nc2c1CNCC2 ZINC000372901829 295802749 /nfs/dbraw/zinc/80/27/49/295802749.db2.gz JNIRSPXEZUREMJ-CZUORRHYSA-N 1 3 343.406 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000342980002 539769614 /nfs/dbraw/zinc/76/96/14/539769614.db2.gz WIWDNMMZNSVFCE-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000342993908 539773130 /nfs/dbraw/zinc/77/31/30/539773130.db2.gz UIDKOQNVRYKJFM-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000562707365 306306498 /nfs/dbraw/zinc/30/64/98/306306498.db2.gz LQRQAQAVFVODCG-CGTJXYLNSA-N 1 3 337.508 1.769 20 0 EDADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000159044530 540003279 /nfs/dbraw/zinc/00/32/79/540003279.db2.gz KBCAJSDIOYOEHV-HNNXBMFYSA-N 1 3 344.463 1.814 20 0 EDADHO CC(C)(O)[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2C(C)(C)O)COC1 ZINC000182355642 540132029 /nfs/dbraw/zinc/13/20/29/540132029.db2.gz DBNHFLRNNVGKDA-HZPDHXFCSA-N 1 3 340.508 1.474 20 0 EDADHO CC(C)(O)[C@H]1CCCN1CC1(C[N@H+]2CCC[C@@H]2C(C)(C)O)COC1 ZINC000182355642 540132034 /nfs/dbraw/zinc/13/20/34/540132034.db2.gz DBNHFLRNNVGKDA-HZPDHXFCSA-N 1 3 340.508 1.474 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCOCC2)[C@@H]1c1cccs1 ZINC000374591683 283114275 /nfs/dbraw/zinc/11/42/75/283114275.db2.gz HKUFPNRLHMDALM-FVQBIDKESA-N 1 3 337.489 1.611 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCOCC2)[C@@H]1c1cccs1 ZINC000374591683 283114278 /nfs/dbraw/zinc/11/42/78/283114278.db2.gz HKUFPNRLHMDALM-FVQBIDKESA-N 1 3 337.489 1.611 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000563582878 306339836 /nfs/dbraw/zinc/33/98/36/306339836.db2.gz KGYLOSJPCNRQNW-HNNXBMFYSA-N 1 3 325.416 1.706 20 0 EDADHO [NH3+]C[C@@H]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000563588172 306340203 /nfs/dbraw/zinc/34/02/03/306340203.db2.gz XZSDFUWBCPOXPU-INIZCTEOSA-N 1 3 331.464 1.678 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCO1 ZINC000563590396 306340378 /nfs/dbraw/zinc/34/03/78/306340378.db2.gz DOEBWCTUNOECLR-IRXDYDNUSA-N 1 3 332.448 1.020 20 0 EDADHO [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000563595109 306340686 /nfs/dbraw/zinc/34/06/86/306340686.db2.gz RPOQRNOELILMIC-QZTJIDSGSA-N 1 3 346.475 1.410 20 0 EDADHO CCN(C)C(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000130297647 138340712 /nfs/dbraw/zinc/34/07/12/138340712.db2.gz ASXCWIFKMNQHKA-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000132354972 138375191 /nfs/dbraw/zinc/37/51/91/138375191.db2.gz LOIIIUYROUWJOT-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000132353587 138375402 /nfs/dbraw/zinc/37/54/02/138375402.db2.gz CMPHROBTORCCEC-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(CCO)C3CCC3)CC2)CC1 ZINC000563637467 306343341 /nfs/dbraw/zinc/34/33/41/306343341.db2.gz PWRSMDOWVUYSTD-UHFFFAOYSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000106382983 219634576 /nfs/dbraw/zinc/63/45/76/219634576.db2.gz SMJNXMJMUWDVSN-ZIFCJYIRSA-N 1 3 339.524 1.264 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000564898146 306368859 /nfs/dbraw/zinc/36/88/59/306368859.db2.gz YJNCGOWDZZICQQ-HNNXBMFYSA-N 1 3 332.448 1.451 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000564939105 306370458 /nfs/dbraw/zinc/37/04/58/306370458.db2.gz YXCWOUMATWQWSP-CVEARBPZSA-N 1 3 339.528 1.171 20 0 EDADHO N[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000564953101 306371287 /nfs/dbraw/zinc/37/12/87/306371287.db2.gz SHMBSJDAYLHQOZ-AEGPPILISA-N 1 3 343.406 1.193 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(Cc2ccccc2)CC1 ZINC000130859497 223181800 /nfs/dbraw/zinc/18/18/00/223181800.db2.gz QITITWXJLHCROB-QGZVFWFLSA-N 1 3 333.501 1.816 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccncc1 ZINC000414197716 304105072 /nfs/dbraw/zinc/10/50/72/304105072.db2.gz PVNATNHZHKMKEM-GOSISDBHSA-N 1 3 332.492 1.919 20 0 EDADHO CC[C@@H]1C[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCO1 ZINC000414480672 304117894 /nfs/dbraw/zinc/11/78/94/304117894.db2.gz JGZQLXKJNWWVQN-QZTJIDSGSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000566237355 306405461 /nfs/dbraw/zinc/40/54/61/306405461.db2.gz RGSABVUUMDGZMQ-HUUCEWRRSA-N 1 3 346.475 1.009 20 0 EDADHO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C12CCCN1CCC2 ZINC000366005030 283933941 /nfs/dbraw/zinc/93/39/41/283933941.db2.gz OOYYKMQFCBKFIJ-IAGOWNOFSA-N 1 3 335.492 1.499 20 0 EDADHO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414750094 304137085 /nfs/dbraw/zinc/13/70/85/304137085.db2.gz ZIVOCFIGXYTDME-QZTJIDSGSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414750094 304137087 /nfs/dbraw/zinc/13/70/87/304137087.db2.gz ZIVOCFIGXYTDME-QZTJIDSGSA-N 1 3 344.503 1.785 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000414749801 304137198 /nfs/dbraw/zinc/13/71/98/304137198.db2.gz WPGIGYYZMZLZDL-HUUCEWRRSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000414788855 304140965 /nfs/dbraw/zinc/14/09/65/304140965.db2.gz OACSZWFBYBRQHY-LSDHHAIUSA-N 1 3 346.475 1.881 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC(N)(CC)CC)CC1 ZINC000414804961 304143145 /nfs/dbraw/zinc/14/31/45/304143145.db2.gz FVAFFKYVXWCEMY-CQSZACIVSA-N 1 3 341.496 1.674 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@H](C)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077612 304158310 /nfs/dbraw/zinc/15/83/10/304158310.db2.gz FQPRNGKIZQWXAG-PVAVHDDUSA-N 1 3 333.476 1.866 20 0 EDADHO Cc1ccsc1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132110 304162607 /nfs/dbraw/zinc/16/26/07/304162607.db2.gz AEUNWTSZCYZOSW-HUUCEWRRSA-N 1 3 334.489 1.777 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236955368 139036419 /nfs/dbraw/zinc/03/64/19/139036419.db2.gz FCXLJCLUEJHOLD-FQEVSTJZSA-N 1 3 344.503 1.440 20 0 EDADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000236988858 139037377 /nfs/dbraw/zinc/03/73/77/139037377.db2.gz NCUCQQLDLOMKOK-VQIMIIECSA-N 1 3 346.519 1.814 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)CN1 ZINC000237729161 139058903 /nfs/dbraw/zinc/05/89/03/139058903.db2.gz CASKOISUJAVCJQ-IRXDYDNUSA-N 1 3 330.476 1.408 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000238040135 139067322 /nfs/dbraw/zinc/06/73/22/139067322.db2.gz KRTUQCDAAJRYPX-SFHVURJKSA-N 1 3 330.476 1.063 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000415246257 304178183 /nfs/dbraw/zinc/17/81/83/304178183.db2.gz RANJCZBIXLYKDW-IBGZPJMESA-N 1 3 344.459 1.289 20 0 EDADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)ccc1OCC(N)=O ZINC000246929332 139127344 /nfs/dbraw/zinc/12/73/44/139127344.db2.gz GXADAECTLOWBNX-GZBFAFLISA-N 1 3 335.448 1.378 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000415330369 304196137 /nfs/dbraw/zinc/19/61/37/304196137.db2.gz YPWBFYBZKWJVAL-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000248686499 139171691 /nfs/dbraw/zinc/17/16/91/139171691.db2.gz HILQHCBMKJQKDM-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000248686499 139171692 /nfs/dbraw/zinc/17/16/92/139171692.db2.gz HILQHCBMKJQKDM-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CN(C(=O)COC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261584743 139209347 /nfs/dbraw/zinc/20/93/47/139209347.db2.gz SOSCDNJYXMLBNO-UHFFFAOYSA-N 1 3 345.487 1.878 20 0 EDADHO N[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261738131 139222107 /nfs/dbraw/zinc/22/21/07/139222107.db2.gz DFALLYXPICBNPO-LJQANCHMSA-N 1 3 345.487 1.769 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000261759848 139223665 /nfs/dbraw/zinc/22/36/65/139223665.db2.gz HWJPHWNGCGHOIL-OAHLLOKOSA-N 1 3 325.522 1.854 20 0 EDADHO CC(C)(CNC(=O)[C@@H]([NH3+])C1CCOCC1)N1CCc2ccccc2C1 ZINC000261772374 139224707 /nfs/dbraw/zinc/22/47/07/139224707.db2.gz MJANVEPKAYEPHP-SFHVURJKSA-N 1 3 345.487 1.693 20 0 EDADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261858814 139231996 /nfs/dbraw/zinc/23/19/96/139231996.db2.gz SCASFDZUENTOQU-KRWDZBQOSA-N 1 3 335.448 1.710 20 0 EDADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc21 ZINC000261840104 139230462 /nfs/dbraw/zinc/23/04/62/139230462.db2.gz QNPZJSOKUZCIAZ-GOSISDBHSA-N 1 3 344.459 1.895 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1CN(C)C ZINC000415460274 304223769 /nfs/dbraw/zinc/22/37/69/304223769.db2.gz YOUHMMGCACNUAG-XJKSGUPXSA-N 1 3 332.448 1.239 20 0 EDADHO CN(CCN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899384 139235033 /nfs/dbraw/zinc/23/50/33/139235033.db2.gz VROSAVHTTKEOHR-FQEVSTJZSA-N 1 3 330.520 1.736 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000261923197 139237330 /nfs/dbraw/zinc/23/73/30/139237330.db2.gz ZSGHXHWFHZQNGX-JKSUJKDBSA-N 1 3 330.476 1.638 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414872629 250873383 /nfs/dbraw/zinc/87/33/83/250873383.db2.gz GAHLMZOSVCZPHO-MRXNPFEDSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250157 139263656 /nfs/dbraw/zinc/26/36/56/139263656.db2.gz LOAMENCYCWWTDZ-WBVHZDCISA-N 1 3 331.460 1.694 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416795509 251109733 /nfs/dbraw/zinc/10/97/33/251109733.db2.gz UFPGIDVIRICVIQ-QZTJIDSGSA-N 1 3 342.487 1.902 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416831324 251112065 /nfs/dbraw/zinc/11/20/65/251112065.db2.gz AXSUVXQAEUTYIM-HKUYNNGSSA-N 1 3 328.460 1.656 20 0 EDADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417014686 251132452 /nfs/dbraw/zinc/13/24/52/251132452.db2.gz DULIOLRTVJDNRN-KURKYZTESA-N 1 3 328.460 1.827 20 0 EDADHO COCC1(CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002640 251126864 /nfs/dbraw/zinc/12/68/64/251126864.db2.gz AUAACJOAUYQUKT-HZPDHXFCSA-N 1 3 340.512 1.422 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417204233 251146937 /nfs/dbraw/zinc/14/69/37/251146937.db2.gz ZWNPTKYJQSVGGM-BZSNNMDCSA-N 1 3 330.476 1.410 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417543689 251184680 /nfs/dbraw/zinc/18/46/80/251184680.db2.gz GIDZTNMHFFVVQR-OAHLLOKOSA-N 1 3 340.512 1.646 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594640 251201369 /nfs/dbraw/zinc/20/13/69/251201369.db2.gz WOIBDSKUOVBTID-LPHOPBHVSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417625494 251208573 /nfs/dbraw/zinc/20/85/73/251208573.db2.gz MOMKMPWMHOVYIL-AWEZNQCLSA-N 1 3 328.526 1.775 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418103029 251323084 /nfs/dbraw/zinc/32/30/84/251323084.db2.gz IFQKGJQRAFNZHM-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152966 251345885 /nfs/dbraw/zinc/34/58/85/251345885.db2.gz UKRMDKZBAIIVGY-QZTJIDSGSA-N 1 3 346.475 1.266 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1)N(C)C ZINC000418163478 251349910 /nfs/dbraw/zinc/34/99/10/251349910.db2.gz DLQJRYXPYWSJHF-VYDXJSESSA-N 1 3 334.464 1.355 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262533766 139284749 /nfs/dbraw/zinc/28/47/49/139284749.db2.gz OURWHNGWCWUBQN-SJORKVTESA-N 1 3 332.492 1.294 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000418306272 251358374 /nfs/dbraw/zinc/35/83/74/251358374.db2.gz AHQCXIKEDQYPPA-JYJNAYRXSA-N 1 3 326.485 1.127 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000418707282 251390601 /nfs/dbraw/zinc/39/06/01/251390601.db2.gz GGDYBSUOCLGJOS-IAGOWNOFSA-N 1 3 333.480 1.815 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418584055 251379262 /nfs/dbraw/zinc/37/92/62/251379262.db2.gz XEPBAGYCOBLTLY-WMLDXEAASA-N 1 3 336.455 1.897 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418641515 251382555 /nfs/dbraw/zinc/38/25/55/251382555.db2.gz NNLWYBOFMVKFRA-GOSISDBHSA-N 1 3 346.475 1.907 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638093 139292109 /nfs/dbraw/zinc/29/21/09/139292109.db2.gz ITJAHAIKSQDWQH-DZGCQCFKSA-N 1 3 332.448 1.178 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000262642430 139292461 /nfs/dbraw/zinc/29/24/61/139292461.db2.gz JHIXDWFNPHRVBD-UHFFFAOYSA-N 1 3 325.522 1.854 20 0 EDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422875729 252007441 /nfs/dbraw/zinc/00/74/41/252007441.db2.gz CZLFKNBXIDNYKI-KDOFPFPSSA-N 1 3 347.507 1.442 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CCOCC1 ZINC000423413563 252054136 /nfs/dbraw/zinc/05/41/36/252054136.db2.gz ZLUMYFGDBOOZNV-MRXNPFEDSA-N 1 3 333.476 1.940 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906277 252018144 /nfs/dbraw/zinc/01/81/44/252018144.db2.gz JLCGCTCVUUZKCD-ROUUACIJSA-N 1 3 332.492 1.728 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422908676 252018638 /nfs/dbraw/zinc/01/86/38/252018638.db2.gz DOUGDDKWNPKHFV-LPHOPBHVSA-N 1 3 344.503 1.742 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CNCC[C@H]2C)cc1 ZINC000422905752 252018962 /nfs/dbraw/zinc/01/89/62/252018962.db2.gz SQQSZQXIAXPJSS-PBHICJAKSA-N 1 3 339.505 1.602 20 0 EDADHO C[C@H](NCCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422911218 252019739 /nfs/dbraw/zinc/01/97/39/252019739.db2.gz KJEMAGVEFCHWRR-ZWKOTPCHSA-N 1 3 344.503 1.703 20 0 EDADHO COC[C@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213674 252162933 /nfs/dbraw/zinc/16/29/33/252162933.db2.gz AMFNJTSEMYSZHE-NSHGMRRFSA-N 1 3 343.471 1.345 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000424434932 252230192 /nfs/dbraw/zinc/23/01/92/252230192.db2.gz DZOSNSYJMQGFII-UHFFFAOYSA-N 1 3 332.448 1.192 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476975 252246496 /nfs/dbraw/zinc/24/64/96/252246496.db2.gz KUFIEGNUNJRTNR-DSLXNQLJSA-N 1 3 342.487 1.900 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000415670682 304252785 /nfs/dbraw/zinc/25/27/85/304252785.db2.gz BYMWCFTWKBWLCW-AWEZNQCLSA-N 1 3 332.448 1.274 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(=O)N(C)C ZINC000345222772 285243013 /nfs/dbraw/zinc/24/30/13/285243013.db2.gz MISLENMLYFPYJI-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(=O)N(C)C ZINC000345222772 285243014 /nfs/dbraw/zinc/24/30/14/285243014.db2.gz MISLENMLYFPYJI-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580098 285247682 /nfs/dbraw/zinc/24/76/82/285247682.db2.gz NCDWCWXVMPAYHQ-ZWKOTPCHSA-N 1 3 349.523 1.935 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580098 285247688 /nfs/dbraw/zinc/24/76/88/285247688.db2.gz NCDWCWXVMPAYHQ-ZWKOTPCHSA-N 1 3 349.523 1.935 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494704769 255258991 /nfs/dbraw/zinc/25/89/91/255258991.db2.gz TWFMZMAZCLUNJO-HZPDHXFCSA-N 1 3 348.491 1.901 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000495044300 255266845 /nfs/dbraw/zinc/26/68/45/255266845.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000495044300 255266846 /nfs/dbraw/zinc/26/68/46/255266846.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119464282 221325966 /nfs/dbraw/zinc/32/59/66/221325966.db2.gz RDQGXMCTVBDYHR-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000570683656 306548540 /nfs/dbraw/zinc/54/85/40/306548540.db2.gz ACVFLAPQCVKNOU-JQHSSLGASA-N 1 3 335.492 1.523 20 0 EDADHO CN(C/C=C/C[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271317900 140277451 /nfs/dbraw/zinc/27/74/51/140277451.db2.gz JFYBIPAWDIUSCY-ONEGZZNKSA-N 1 3 326.448 1.472 20 0 EDADHO CN(C/C=C/C[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271317900 140277453 /nfs/dbraw/zinc/27/74/53/140277453.db2.gz JFYBIPAWDIUSCY-ONEGZZNKSA-N 1 3 326.448 1.472 20 0 EDADHO COc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000416334696 304310407 /nfs/dbraw/zinc/31/04/07/304310407.db2.gz RGFOWDUGMROJAT-HIFRSBDPSA-N 1 3 335.448 1.772 20 0 EDADHO COc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN(C)C ZINC000416334696 304310409 /nfs/dbraw/zinc/31/04/09/304310409.db2.gz RGFOWDUGMROJAT-HIFRSBDPSA-N 1 3 335.448 1.772 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000331318444 141007175 /nfs/dbraw/zinc/00/71/75/141007175.db2.gz KDZSAJLATWNKKP-NVXWUHKLSA-N 1 3 325.497 1.601 20 0 EDADHO CN(C)[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333485646 141325126 /nfs/dbraw/zinc/32/51/26/141325126.db2.gz GCLJFPFTFRFMRJ-CMPFZWEDSA-N 1 3 334.508 1.876 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000346954821 143265847 /nfs/dbraw/zinc/26/58/47/143265847.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000346954821 143265848 /nfs/dbraw/zinc/26/58/48/143265848.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034795 143274573 /nfs/dbraw/zinc/27/45/73/143274573.db2.gz CPLZIURSDKKMIG-CYBMUJFWSA-N 1 3 347.488 1.436 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067966 143278406 /nfs/dbraw/zinc/27/84/06/143278406.db2.gz KTVUOICZEVXSPU-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1cccc(-c2n[nH]cc2CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000347119208 143284640 /nfs/dbraw/zinc/28/46/40/143284640.db2.gz YPQNLPVZJJZRBC-MRXNPFEDSA-N 1 3 341.459 1.672 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCN1C ZINC000347957286 143383501 /nfs/dbraw/zinc/38/35/01/143383501.db2.gz CUYPLKHUETVRQE-KFWWJZLASA-N 1 3 340.512 1.068 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H]1CNCCO1 ZINC000572964742 306605857 /nfs/dbraw/zinc/60/58/57/306605857.db2.gz XUGJRIHOERDPAI-GOSISDBHSA-N 1 3 346.475 1.525 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000369765851 155167134 /nfs/dbraw/zinc/16/71/34/155167134.db2.gz IMTIFHANAPICBG-SRABZTEZSA-N 1 3 331.460 1.945 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000416979008 304360204 /nfs/dbraw/zinc/36/02/04/304360204.db2.gz WNNILBWUVNWXJL-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255128 150188013 /nfs/dbraw/zinc/18/80/13/150188013.db2.gz PDIYMXWGSHZPAK-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000355452658 150274465 /nfs/dbraw/zinc/27/44/65/150274465.db2.gz ZNHZJMDONAXLIG-MSOLQXFVSA-N 1 3 337.508 1.964 20 0 EDADHO CCN1CCN(CCCCNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417044042 304365526 /nfs/dbraw/zinc/36/55/26/304365526.db2.gz MMFPXFRLZAONAU-UHFFFAOYSA-N 1 3 327.517 1.221 20 0 EDADHO COCC1(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856373 292238331 /nfs/dbraw/zinc/23/83/31/292238331.db2.gz RAJBSDRPLGMRDQ-HZPDHXFCSA-N 1 3 338.496 1.128 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357960708 151212179 /nfs/dbraw/zinc/21/21/79/151212179.db2.gz RGAKMISTEDBGPD-CQSZACIVSA-N 1 3 330.542 1.843 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358133336 151284051 /nfs/dbraw/zinc/28/40/51/151284051.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358133336 151284052 /nfs/dbraw/zinc/28/40/52/151284052.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000358492592 151394186 /nfs/dbraw/zinc/39/41/86/151394186.db2.gz GFXQRDMFWSARBK-MRXNPFEDSA-N 1 3 347.507 1.680 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360665314 152144475 /nfs/dbraw/zinc/14/44/75/152144475.db2.gz VTOPETRYYXOWEV-RDJZCZTQSA-N 1 3 342.553 1.987 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360665314 152144476 /nfs/dbraw/zinc/14/44/76/152144476.db2.gz VTOPETRYYXOWEV-RDJZCZTQSA-N 1 3 342.553 1.987 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360665315 152145227 /nfs/dbraw/zinc/14/52/27/152145227.db2.gz VTOPETRYYXOWEV-WBVHZDCISA-N 1 3 342.553 1.987 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360665315 152145230 /nfs/dbraw/zinc/14/52/30/152145230.db2.gz VTOPETRYYXOWEV-WBVHZDCISA-N 1 3 342.553 1.987 20 0 EDADHO COC(=O)CCCN1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000360953860 152262551 /nfs/dbraw/zinc/26/25/51/152262551.db2.gz JNQRKPVWJQJKRF-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417150043 304378008 /nfs/dbraw/zinc/37/80/08/304378008.db2.gz JKGVLUYFXBQERW-QGZVFWFLSA-N 1 3 347.507 1.577 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417178414 304381104 /nfs/dbraw/zinc/38/11/04/304381104.db2.gz DPFACIKYLOZMDU-KBPBESRZSA-N 1 3 328.407 1.441 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417181123 304381527 /nfs/dbraw/zinc/38/15/27/304381527.db2.gz HQWZGEFMBPKVKK-PKOBYXMFSA-N 1 3 330.476 1.554 20 0 EDADHO CN(CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000417226942 304385924 /nfs/dbraw/zinc/38/59/24/304385924.db2.gz BKZBTMPNBARPRV-ZWKOTPCHSA-N 1 3 330.476 1.806 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417297881 304390645 /nfs/dbraw/zinc/39/06/45/304390645.db2.gz PBFZBMVCZPSPFM-INIZCTEOSA-N 1 3 326.485 1.304 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371792706 156107717 /nfs/dbraw/zinc/10/77/17/156107717.db2.gz NVHGRUDCQWQZRK-GOSISDBHSA-N 1 3 347.507 1.973 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523040 304402944 /nfs/dbraw/zinc/40/29/44/304402944.db2.gz HNVQOHOCGMAQDA-NVXWUHKLSA-N 1 3 348.491 1.548 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)O1 ZINC000374585855 157336122 /nfs/dbraw/zinc/33/61/22/157336122.db2.gz QHLUURAJTPTXHH-KURKYZTESA-N 1 3 331.460 1.521 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417952277 304437537 /nfs/dbraw/zinc/43/75/37/304437537.db2.gz OFGLSJNCTFZKFV-OAHLLOKOSA-N 1 3 337.468 1.195 20 0 EDADHO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](N2CCCC2)C1 ZINC000423346832 304480576 /nfs/dbraw/zinc/48/05/76/304480576.db2.gz PTHXGLWZHDQXSW-HUUCEWRRSA-N 1 3 331.464 1.577 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000165969018 226142183 /nfs/dbraw/zinc/14/21/83/226142183.db2.gz NAASPHUQOKNYKH-LJQANCHMSA-N 1 3 344.503 1.091 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000165969018 226142189 /nfs/dbraw/zinc/14/21/89/226142189.db2.gz NAASPHUQOKNYKH-LJQANCHMSA-N 1 3 344.503 1.091 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418372921 304487449 /nfs/dbraw/zinc/48/74/49/304487449.db2.gz UJDPFCYAFQKGHU-RDJZCZTQSA-N 1 3 334.464 1.739 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000665758282 452327095 /nfs/dbraw/zinc/32/70/95/452327095.db2.gz DMBKFHUAYHIHAH-ZNMIVQPWSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000665758282 452327103 /nfs/dbraw/zinc/32/71/03/452327103.db2.gz DMBKFHUAYHIHAH-ZNMIVQPWSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000665760289 452329932 /nfs/dbraw/zinc/32/99/32/452329932.db2.gz FCYXZPJSHWHZCH-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000665760289 452329943 /nfs/dbraw/zinc/32/99/43/452329943.db2.gz FCYXZPJSHWHZCH-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665760250 452332344 /nfs/dbraw/zinc/33/23/44/452332344.db2.gz DEQKJEBETAMILW-JKSUJKDBSA-N 1 3 328.501 1.325 20 0 EDADHO CC(C)[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665760250 452332355 /nfs/dbraw/zinc/33/23/55/452332355.db2.gz DEQKJEBETAMILW-JKSUJKDBSA-N 1 3 328.501 1.325 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418400149 304491531 /nfs/dbraw/zinc/49/15/31/304491531.db2.gz FJOANSXTNSYMGK-NVXWUHKLSA-N 1 3 333.480 1.672 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CC(F)F)C1 ZINC000665763687 452350399 /nfs/dbraw/zinc/35/03/99/452350399.db2.gz IZYXGPHRQXVVML-ZDUSSCGKSA-N 1 3 334.455 1.945 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(C)(CC(F)F)C1 ZINC000665763687 452350405 /nfs/dbraw/zinc/35/04/05/452350405.db2.gz IZYXGPHRQXVVML-ZDUSSCGKSA-N 1 3 334.455 1.945 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CNCCO1)c1ccc2ccccc2c1 ZINC000418498673 304503781 /nfs/dbraw/zinc/50/37/81/304503781.db2.gz KTFRYOIVSPGNST-IRXDYDNUSA-N 1 3 328.416 1.127 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000276069115 273146562 /nfs/dbraw/zinc/14/65/62/273146562.db2.gz VWVXCWRCEROKLM-HNNXBMFYSA-N 1 3 346.475 1.139 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000276069115 273146563 /nfs/dbraw/zinc/14/65/63/273146563.db2.gz VWVXCWRCEROKLM-HNNXBMFYSA-N 1 3 346.475 1.139 20 0 EDADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCCF ZINC000282793554 273719457 /nfs/dbraw/zinc/71/94/57/273719457.db2.gz QIURTALTPISFAR-UONOGXRCSA-N 1 3 325.428 1.752 20 0 EDADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCN1 ZINC000333370218 275836560 /nfs/dbraw/zinc/83/65/60/275836560.db2.gz MIGSWNZDYIRZDJ-JKSUJKDBSA-N 1 3 338.496 1.148 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000411406525 276150234 /nfs/dbraw/zinc/15/02/34/276150234.db2.gz JHEPNMHELLQLEB-QAPCUYQASA-N 1 3 339.480 1.298 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000357940887 276248405 /nfs/dbraw/zinc/24/84/05/276248405.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 1 3 336.524 1.393 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000357940887 276248406 /nfs/dbraw/zinc/24/84/06/276248406.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 1 3 336.524 1.393 20 0 EDADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353554083 276253739 /nfs/dbraw/zinc/25/37/39/276253739.db2.gz UMROZGGPUGLVBZ-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CCN1CCC(NC(=O)N2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)CC1 ZINC000348067756 276360125 /nfs/dbraw/zinc/36/01/25/276360125.db2.gz GEMOVYVFKQKKEF-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341326689 276378346 /nfs/dbraw/zinc/37/83/46/276378346.db2.gz XORQNLURUHGMRI-JKSUJKDBSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000417575594 278200975 /nfs/dbraw/zinc/20/09/75/278200975.db2.gz GHOXPKLNMPWQKZ-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417025443 278244235 /nfs/dbraw/zinc/24/42/35/278244235.db2.gz RCLWRNLRDYXARG-WMZOPIPTSA-N 1 3 347.507 1.259 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351772009 278857010 /nfs/dbraw/zinc/85/70/10/278857010.db2.gz XQMBHUKYLFKFPA-HZPDHXFCSA-N 1 3 340.512 1.022 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358317085 279071258 /nfs/dbraw/zinc/07/12/58/279071258.db2.gz KDUNTFBDPYSWGW-XIRDDKMYSA-N 1 3 325.497 1.601 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000246206908 288156540 /nfs/dbraw/zinc/15/65/40/288156540.db2.gz FMYVEDVWGPGCII-JZXOWHBKSA-N 1 3 337.508 1.724 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216251 /nfs/dbraw/zinc/21/62/51/288216251.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216255 /nfs/dbraw/zinc/21/62/55/288216255.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2CCCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888878 288348534 /nfs/dbraw/zinc/34/85/34/288348534.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2CCCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888878 288348537 /nfs/dbraw/zinc/34/85/37/288348537.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 1 3 330.476 1.997 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000289838374 288788602 /nfs/dbraw/zinc/78/86/02/288788602.db2.gz AVHMEJKTMIPCKK-STQMWFEESA-N 1 3 339.461 1.282 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccsc1 ZINC000290058838 288831000 /nfs/dbraw/zinc/83/10/00/288831000.db2.gz VLVCUQLRCOUGLE-KBPBESRZSA-N 1 3 341.477 1.528 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccsc1 ZINC000290058846 288831188 /nfs/dbraw/zinc/83/11/88/288831188.db2.gz VLVCUQLRCOUGLE-ZIAGYGMSSA-N 1 3 341.477 1.528 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])N2CCCC2)cc1 ZINC000416832235 295213375 /nfs/dbraw/zinc/21/33/75/295213375.db2.gz VXDVEWOWVCHRMN-RHSMWYFYSA-N 1 3 334.464 1.726 20 0 EDADHO COc1cccc([C@H](CNC(=O)C[C@H](C[NH3+])OC)N2CCCC2)c1 ZINC000262768473 295325475 /nfs/dbraw/zinc/32/54/75/295325475.db2.gz HWQCCRNCRJJHLP-SJORKVTESA-N 1 3 335.448 1.312 20 0 EDADHO O=C(C[C@H]1CSCCN1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000238081629 295549058 /nfs/dbraw/zinc/54/90/58/295549058.db2.gz ZENKTPZLXAYPDP-JKSUJKDBSA-N 1 3 325.522 1.949 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN(C)CC1 ZINC000418195749 295578969 /nfs/dbraw/zinc/57/89/69/295578969.db2.gz GKRWQYAEKLQJIS-UONOGXRCSA-N 1 3 328.526 1.631 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000448238799 447307392 /nfs/dbraw/zinc/30/73/92/447307392.db2.gz HXNMGOHALIWLOI-KRWDZBQOSA-N 1 3 346.475 1.135 20 0 EDADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000378527256 298317620 /nfs/dbraw/zinc/31/76/20/298317620.db2.gz ULZBOVPUJXLQRY-CABCVRRESA-N 1 3 325.497 1.865 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419667532 447333528 /nfs/dbraw/zinc/33/35/28/447333528.db2.gz BVIFRUJWEWYSTC-CVEARBPZSA-N 1 3 340.512 1.055 20 0 EDADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414874066 447337600 /nfs/dbraw/zinc/33/76/00/447337600.db2.gz HYTMVWAVUCKUTR-CQSZACIVSA-N 1 3 335.448 1.381 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411631563 303901732 /nfs/dbraw/zinc/90/17/32/303901732.db2.gz MSKPHNUIVACILF-JQHSSLGASA-N 1 3 335.492 1.524 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000423078112 304884316 /nfs/dbraw/zinc/88/43/16/304884316.db2.gz NVCJXPGXOKCNGN-ZFWWWQNUSA-N 1 3 331.526 1.686 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)C1CCOCC1 ZINC000423751659 304908088 /nfs/dbraw/zinc/90/80/88/304908088.db2.gz ZCNZLBXHZNPZKX-GOSISDBHSA-N 1 3 333.476 1.851 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423768032 304909352 /nfs/dbraw/zinc/90/93/52/304909352.db2.gz ZNUFOUYEKAPDAI-ZWKOTPCHSA-N 1 3 330.476 1.608 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037642 304925861 /nfs/dbraw/zinc/92/58/61/304925861.db2.gz KGPODZHGUORVGD-MZJJYOIFSA-N 1 3 331.435 2.000 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)c1 ZINC000424461255 304930835 /nfs/dbraw/zinc/93/08/35/304930835.db2.gz CXOCEFXPAHDYJN-RHSMWYFYSA-N 1 3 344.459 1.477 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)CC(C)C)c1 ZINC000424462343 304931045 /nfs/dbraw/zinc/93/10/45/304931045.db2.gz FMPDQVQZPHWWPI-UHFFFAOYSA-N 1 3 334.464 1.438 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000430773074 305064710 /nfs/dbraw/zinc/06/47/10/305064710.db2.gz PYAUOYFXZVRCFH-ULQDDVLXSA-N 1 3 325.497 1.772 20 0 EDADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430928216 305068620 /nfs/dbraw/zinc/06/86/20/305068620.db2.gz SYTURRFQCJTCEN-HNNXBMFYSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000430947437 305070009 /nfs/dbraw/zinc/07/00/09/305070009.db2.gz ATUJNNOLMUVGNS-OAHLLOKOSA-N 1 3 348.466 1.534 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)COC2CNC2)cc1Cl ZINC000431055962 305073866 /nfs/dbraw/zinc/07/38/66/305073866.db2.gz ZIOHGGOMBYLMLS-UHFFFAOYSA-N 1 3 327.812 1.207 20 0 EDADHO CN(C)C[C@H](NC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433161782 305102215 /nfs/dbraw/zinc/10/22/15/305102215.db2.gz YJKAKAAYZDNCSC-SFHVURJKSA-N 1 3 332.492 1.609 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[N@H+](C)C2CCCC2)CCCO1 ZINC000433330373 305105915 /nfs/dbraw/zinc/10/59/15/305105915.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[N@@H+](C)C2CCCC2)CCCO1 ZINC000433330373 305105916 /nfs/dbraw/zinc/10/59/16/305105916.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO CCCN1CCC(N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385493 305107379 /nfs/dbraw/zinc/10/73/79/305107379.db2.gz YIJUKMSZVGGSSB-HNNXBMFYSA-N 1 3 334.468 1.149 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NCCCN2CCCO[C@H](C)C2)CC1 ZINC000433392759 305107586 /nfs/dbraw/zinc/10/75/86/305107586.db2.gz YCQOJFHNLUIESQ-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453805 305109417 /nfs/dbraw/zinc/10/94/17/305109417.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433453805 305109418 /nfs/dbraw/zinc/10/94/18/305109418.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 1 3 340.512 1.469 20 0 EDADHO COc1ccc2oc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000435370935 305139198 /nfs/dbraw/zinc/13/91/98/305139198.db2.gz KJUASZMIBCTNCH-ZDUSSCGKSA-N 1 3 331.416 1.728 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000414898432 447348668 /nfs/dbraw/zinc/34/86/68/447348668.db2.gz AECSDEHMCCEUMP-GDBMZVCRSA-N 1 3 339.480 1.298 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512371 305208893 /nfs/dbraw/zinc/20/88/93/305208893.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512371 305208894 /nfs/dbraw/zinc/20/88/94/305208894.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414898437 447349149 /nfs/dbraw/zinc/34/91/49/447349149.db2.gz AFEOEAOYRGZPOO-UKRRQHHQSA-N 1 3 333.432 1.922 20 0 EDADHO c1nc(N2CCOCC2)sc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887622 305271635 /nfs/dbraw/zinc/27/16/35/305271635.db2.gz WKTYYIPKBYPGII-UHFFFAOYSA-N 1 3 336.505 1.944 20 0 EDADHO C[NH+](C)CCN1C(=O)C[C@@H](N2CCCc3ccccc3CC2)C1=O ZINC000448554547 305298154 /nfs/dbraw/zinc/29/81/54/305298154.db2.gz HQFYVAPDQOCKTP-QGZVFWFLSA-N 1 3 329.444 1.166 20 0 EDADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351309 /nfs/dbraw/zinc/35/13/09/305351309.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 1 3 337.508 1.822 20 0 EDADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(C[C@@H]3CCCCO3)C2)CC1 ZINC000451527234 305351310 /nfs/dbraw/zinc/35/13/10/305351310.db2.gz DCOSGJIVHYJYRO-OALUTQOASA-N 1 3 337.508 1.822 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000518164320 305759370 /nfs/dbraw/zinc/75/93/70/305759370.db2.gz MMPPJHDZJGQHQA-ZWKOTPCHSA-N 1 3 331.508 1.831 20 0 EDADHO Cc1cc(NC(=O)N2CCNC(C)(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000520763002 305783031 /nfs/dbraw/zinc/78/30/31/305783031.db2.gz XSICMQIIVYMJPL-UHFFFAOYSA-N 1 3 334.468 1.674 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000522002470 305797212 /nfs/dbraw/zinc/79/72/12/305797212.db2.gz WUDAULYLIXFWPU-GFCCVEGCSA-N 1 3 344.394 1.067 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000535726451 306015121 /nfs/dbraw/zinc/01/51/21/306015121.db2.gz BKZVQAGEICKFOV-HOTGVXAUSA-N 1 3 342.528 1.715 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000543713868 306067650 /nfs/dbraw/zinc/06/76/50/306067650.db2.gz LMSKQPCXCGMGMN-AEFFLSMTSA-N 1 3 331.460 1.900 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000543713868 306067651 /nfs/dbraw/zinc/06/76/51/306067651.db2.gz LMSKQPCXCGMGMN-AEFFLSMTSA-N 1 3 331.460 1.900 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCOC)CC2)CC1 ZINC000553327562 306184211 /nfs/dbraw/zinc/18/42/11/306184211.db2.gz FPRCAEXMQJPGPZ-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659445 306187184 /nfs/dbraw/zinc/18/71/84/306187184.db2.gz YQRWSTDGYARVHT-FLOBVVSRSA-N 1 3 336.480 1.465 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@H]1C1(O)CC1)c1ccccc1 ZINC000556780315 306217769 /nfs/dbraw/zinc/21/77/69/306217769.db2.gz XRXLQNRDPFPZRB-ROUUACIJSA-N 1 3 345.487 1.785 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1 ZINC000557168416 306225373 /nfs/dbraw/zinc/22/53/73/306225373.db2.gz XHVJXPBZQBWSAU-UHFFFAOYSA-N 1 3 330.476 1.466 20 0 EDADHO C[C@]1(CNC(=O)NC[C@H]2CNCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204742 306226314 /nfs/dbraw/zinc/22/63/14/306226314.db2.gz HMRFRNSKNMXNRE-IEBWSBKVSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@]1(CNC(=O)NC[C@H]2CNCCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204742 306226315 /nfs/dbraw/zinc/22/63/15/306226315.db2.gz HMRFRNSKNMXNRE-IEBWSBKVSA-N 1 3 346.475 1.329 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000419724336 447374967 /nfs/dbraw/zinc/37/49/67/447374967.db2.gz GVZZYVCEGPTDGU-HUUCEWRRSA-N 1 3 346.475 1.052 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414964034 447377321 /nfs/dbraw/zinc/37/73/21/447377321.db2.gz LLNYVWILHSVBMN-RDJZCZTQSA-N 1 3 344.459 1.287 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000414964034 447377326 /nfs/dbraw/zinc/37/73/26/447377326.db2.gz LLNYVWILHSVBMN-RDJZCZTQSA-N 1 3 344.459 1.287 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426125436 447395115 /nfs/dbraw/zinc/39/51/15/447395115.db2.gz DTWZGDLHIVSPDH-LMMKCTJWSA-N 1 3 348.535 1.630 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000105114069 441234825 /nfs/dbraw/zinc/23/48/25/441234825.db2.gz HUPIZRALPHMBPS-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCC(=O)OC)CC(C)C)CC1 ZINC000050031863 441369858 /nfs/dbraw/zinc/36/98/58/441369858.db2.gz VIUZUBYLDWFHDL-UHFFFAOYSA-N 1 3 327.469 1.108 20 0 EDADHO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)o1 ZINC000114506629 441665233 /nfs/dbraw/zinc/66/52/33/441665233.db2.gz MFAPMETWRGSFJV-FUHWJXTLSA-N 1 3 335.492 1.883 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000041241389 441640199 /nfs/dbraw/zinc/64/01/99/441640199.db2.gz HXXPHMOFVGEVEO-UHFFFAOYSA-N 1 3 344.459 1.430 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136616018 441707968 /nfs/dbraw/zinc/70/79/68/441707968.db2.gz LKWPRWSTKXDHSV-JKSUJKDBSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000136616018 441707978 /nfs/dbraw/zinc/70/79/78/441707978.db2.gz LKWPRWSTKXDHSV-JKSUJKDBSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091848468 441747602 /nfs/dbraw/zinc/74/76/02/441747602.db2.gz CDZOYYMQVSIJAV-DLBZAZTESA-N 1 3 339.528 1.138 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000137182686 441753019 /nfs/dbraw/zinc/75/30/19/441753019.db2.gz OECDMAAMQFYTAD-KRWDZBQOSA-N 1 3 331.460 1.633 20 0 EDADHO COc1cccc(CNCC2(O)CC[NH+](C)CC2)c1OC(F)F ZINC000077450196 441783230 /nfs/dbraw/zinc/78/32/30/441783230.db2.gz KCXKZOMPJCABLU-UHFFFAOYSA-N 1 3 330.375 1.843 20 0 EDADHO Cc1nccn1CCCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000125539727 442028522 /nfs/dbraw/zinc/02/85/22/442028522.db2.gz GTMRDPOGQKUXDY-KRWDZBQOSA-N 1 3 333.480 1.210 20 0 EDADHO Cc1nccn1CCCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125539727 442028527 /nfs/dbraw/zinc/02/85/27/442028527.db2.gz GTMRDPOGQKUXDY-KRWDZBQOSA-N 1 3 333.480 1.210 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(CCO)CC1 ZINC000126281703 442094419 /nfs/dbraw/zinc/09/44/19/442094419.db2.gz VKEPXTCBASCORO-QGZVFWFLSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(CCO)CC1 ZINC000126281703 442094425 /nfs/dbraw/zinc/09/44/25/442094425.db2.gz VKEPXTCBASCORO-QGZVFWFLSA-N 1 3 340.512 1.110 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000175354145 442048912 /nfs/dbraw/zinc/04/89/12/442048912.db2.gz DACLEQAFQYQATP-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126121317 442080573 /nfs/dbraw/zinc/08/05/73/442080573.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126121317 442080577 /nfs/dbraw/zinc/08/05/77/442080577.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CN1C1CC1 ZINC000151822081 442125675 /nfs/dbraw/zinc/12/56/75/442125675.db2.gz YGTXZXMRRQXYJZ-BBRMVZONSA-N 1 3 344.459 1.428 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000164580324 442199424 /nfs/dbraw/zinc/19/94/24/442199424.db2.gz BFJUUTIECOSHLX-IBGZPJMESA-N 1 3 345.487 1.913 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000154644499 442349668 /nfs/dbraw/zinc/34/96/68/442349668.db2.gz HIAFAMPUMNKHDP-CQSZACIVSA-N 1 3 330.432 1.074 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC3CC3)cc2)C1 ZINC000154644499 442349671 /nfs/dbraw/zinc/34/96/71/442349671.db2.gz HIAFAMPUMNKHDP-CQSZACIVSA-N 1 3 330.432 1.074 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770260 442382103 /nfs/dbraw/zinc/38/21/03/442382103.db2.gz RMHVOSBTIXPWPT-INMHGKMJSA-N 1 3 339.505 1.424 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177536895 442355049 /nfs/dbraw/zinc/35/50/49/442355049.db2.gz SRKKNDFLAIHPBT-INIZCTEOSA-N 1 3 332.448 1.239 20 0 EDADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000134284301 442464902 /nfs/dbraw/zinc/46/49/02/442464902.db2.gz UWIJJLOZPBIHEN-HNNXBMFYSA-N 1 3 343.479 1.159 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000187949454 442699821 /nfs/dbraw/zinc/69/98/21/442699821.db2.gz VPTHNSCCLADTMK-FHLIZLRMSA-N 1 3 331.460 1.705 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC2CC[NH+](CC)CC2)C1(C)C ZINC000188202361 442723822 /nfs/dbraw/zinc/72/38/22/442723822.db2.gz TUNNCUMQBJJTGF-CRAIPNDOSA-N 1 3 325.497 1.757 20 0 EDADHO CCC[NH+]1CCC(NCC2(N3CCOCC3)CC(OCC)C2)CC1 ZINC000193402308 442739400 /nfs/dbraw/zinc/73/94/00/442739400.db2.gz ZLPQKGWNFXSKFK-UHFFFAOYSA-N 1 3 339.524 1.720 20 0 EDADHO C[C@H](NCC1(C[NH2+][C@@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438861 442767200 /nfs/dbraw/zinc/76/72/00/442767200.db2.gz WTMMQHPSYFMNQR-HOTGVXAUSA-N 1 3 340.508 1.812 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796252 442815400 /nfs/dbraw/zinc/81/54/00/442815400.db2.gz HWOTXMZVWIHMTB-ZWKOTPCHSA-N 1 3 348.466 1.140 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@@H]1[NH+](C)C ZINC000268244511 442916525 /nfs/dbraw/zinc/91/65/25/442916525.db2.gz RTDTYJAJEGHJNS-NJAFHUGGSA-N 1 3 332.492 1.751 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623088020 450398565 /nfs/dbraw/zinc/39/85/65/450398565.db2.gz SNXYHSBZYSLGAA-UYAOXDASSA-N 1 3 332.536 1.980 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354457 443090822 /nfs/dbraw/zinc/09/08/22/443090822.db2.gz JHFLVELHHJSODI-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354457 443090825 /nfs/dbraw/zinc/09/08/25/443090825.db2.gz JHFLVELHHJSODI-IKGGRYGDSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000268812436 443116925 /nfs/dbraw/zinc/11/69/25/443116925.db2.gz FHENGVSVUPXUAL-WMLDXEAASA-N 1 3 333.432 1.751 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236974874 443154890 /nfs/dbraw/zinc/15/48/90/443154890.db2.gz XHDIJVWZUPOHGF-AWEZNQCLSA-N 1 3 330.480 1.392 20 0 EDADHO C/C=C/C[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000185672631 443235989 /nfs/dbraw/zinc/23/59/89/443235989.db2.gz ASKSHHCDNVPRRD-QDLOVBKTSA-N 1 3 338.496 1.171 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269261900 443256264 /nfs/dbraw/zinc/25/62/64/443256264.db2.gz MVLBKLIPMXQMPM-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC[C@H]1CCCO1 ZINC000269261900 443256270 /nfs/dbraw/zinc/25/62/70/443256270.db2.gz MVLBKLIPMXQMPM-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO O=C(C[C@H]1CNCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269265603 443257644 /nfs/dbraw/zinc/25/76/44/443257644.db2.gz YOVLNMVTBBYBBF-SFHVURJKSA-N 1 3 331.460 1.393 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414672907 319339302 /nfs/dbraw/zinc/33/93/02/319339302.db2.gz OHBUQOSZVUADFK-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679921 319340978 /nfs/dbraw/zinc/34/09/78/319340978.db2.gz MFAOJJZAORYSEP-DLBZAZTESA-N 1 3 327.476 1.840 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000414683744 319341888 /nfs/dbraw/zinc/34/18/88/319341888.db2.gz ULIMEOCNCIJHSZ-QGZVFWFLSA-N 1 3 348.491 1.827 20 0 EDADHO COCC[N@H+](CCCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693448 319343356 /nfs/dbraw/zinc/34/33/56/319343356.db2.gz RMRMMSMXVVLUIN-IBGZPJMESA-N 1 3 347.503 1.765 20 0 EDADHO COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414693448 319343358 /nfs/dbraw/zinc/34/33/58/319343358.db2.gz RMRMMSMXVVLUIN-IBGZPJMESA-N 1 3 347.503 1.765 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415220992 319353375 /nfs/dbraw/zinc/35/33/75/319353375.db2.gz FMBFRQMINUVZCE-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415220992 319353377 /nfs/dbraw/zinc/35/33/77/319353377.db2.gz FMBFRQMINUVZCE-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415810345 319372450 /nfs/dbraw/zinc/37/24/50/319372450.db2.gz WTXLRUSLNHVWIS-INIZCTEOSA-N 1 3 346.475 1.644 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970976 319386116 /nfs/dbraw/zinc/38/61/16/319386116.db2.gz IZEWOLLXQNLBIX-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415970976 319386117 /nfs/dbraw/zinc/38/61/17/319386117.db2.gz IZEWOLLXQNLBIX-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc2c(c1)CNCCO2 ZINC000415969457 319386155 /nfs/dbraw/zinc/38/61/55/319386155.db2.gz GXQACIOUAPFNTA-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc2c(c1)CNCCO2 ZINC000415969457 319386156 /nfs/dbraw/zinc/38/61/56/319386156.db2.gz GXQACIOUAPFNTA-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423410235 319773195 /nfs/dbraw/zinc/77/31/95/319773195.db2.gz CWKVJKOTSSGMDO-HOTGVXAUSA-N 1 3 340.512 1.153 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000273078786 443532652 /nfs/dbraw/zinc/53/26/52/443532652.db2.gz XGNSJWIQAGZMTG-INIZCTEOSA-N 1 3 330.476 1.556 20 0 EDADHO CN(C)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423771653 319814629 /nfs/dbraw/zinc/81/46/29/319814629.db2.gz JRXBXXUVVKSPKO-LSDHHAIUSA-N 1 3 325.840 1.437 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000455446147 320303314 /nfs/dbraw/zinc/30/33/14/320303314.db2.gz VNLBPFCLLAPDMC-JYJNAYRXSA-N 1 3 340.512 1.467 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000458076548 320336170 /nfs/dbraw/zinc/33/61/70/320336170.db2.gz HVEOUDSTEGLQRY-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO CCNC(=O)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526134881 320499064 /nfs/dbraw/zinc/49/90/64/320499064.db2.gz AJPTTXUVKOXJKH-UHFFFAOYSA-N 1 3 349.479 1.393 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000288287480 443833333 /nfs/dbraw/zinc/83/33/33/443833333.db2.gz SRDFBERSUQYZDE-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000288287480 443833336 /nfs/dbraw/zinc/83/33/36/443833336.db2.gz SRDFBERSUQYZDE-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCCN3C)CC2)c1 ZINC000299474088 444056135 /nfs/dbraw/zinc/05/61/35/444056135.db2.gz BAQLOIGFMXLUTN-LJQANCHMSA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000299474088 444056139 /nfs/dbraw/zinc/05/61/39/444056139.db2.gz BAQLOIGFMXLUTN-LJQANCHMSA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000299474088 444056143 /nfs/dbraw/zinc/05/61/43/444056143.db2.gz BAQLOIGFMXLUTN-LJQANCHMSA-N 1 3 344.503 1.718 20 0 EDADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000561110446 321032941 /nfs/dbraw/zinc/03/29/41/321032941.db2.gz BSIYQJBVFONVPS-MSOLQXFVSA-N 1 3 346.475 1.501 20 0 EDADHO NS(=O)(=O)CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285727451 444087608 /nfs/dbraw/zinc/08/76/08/444087608.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 1 3 337.489 1.263 20 0 EDADHO NS(=O)(=O)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285727451 444087611 /nfs/dbraw/zinc/08/76/11/444087611.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 1 3 337.489 1.263 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959345 321083623 /nfs/dbraw/zinc/08/36/23/321083623.db2.gz BESFYHNNDQNSJN-GMBSWORKSA-N 1 3 344.459 1.636 20 0 EDADHO Cc1cc2c(cc1C)[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000564509349 321135055 /nfs/dbraw/zinc/13/50/55/321135055.db2.gz PMQYCECHJKCLQI-QGZVFWFLSA-N 1 3 333.476 1.731 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000564854989 321151839 /nfs/dbraw/zinc/15/18/39/321151839.db2.gz VBDBHZTULBGDHK-UFYCRDLUSA-N 1 3 348.487 1.532 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000564856861 321152143 /nfs/dbraw/zinc/15/21/43/321152143.db2.gz ZAQYRGJPPWZVIW-CWRNSKLLSA-N 1 3 336.432 1.285 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000564856861 321152145 /nfs/dbraw/zinc/15/21/45/321152145.db2.gz ZAQYRGJPPWZVIW-CWRNSKLLSA-N 1 3 336.432 1.285 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N2CCN[C@H](C)C2)[NH+]2CCCC2)c1 ZINC000566057819 321212810 /nfs/dbraw/zinc/21/28/10/321212810.db2.gz XWVRDAXLVZACNY-CRAIPNDOSA-N 1 3 346.475 1.835 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cn(C)nc3C)CC2)CC1 ZINC000567122222 321241851 /nfs/dbraw/zinc/24/18/51/321241851.db2.gz AZQNGFDHDNBQNM-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921510 321331717 /nfs/dbraw/zinc/33/17/17/321331717.db2.gz VSDGGEVRPRPDGQ-ZBFHGGJFSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921510 321331718 /nfs/dbraw/zinc/33/17/18/321331718.db2.gz VSDGGEVRPRPDGQ-ZBFHGGJFSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921510 321331720 /nfs/dbraw/zinc/33/17/20/321331720.db2.gz VSDGGEVRPRPDGQ-ZBFHGGJFSA-N 1 3 329.444 1.982 20 0 EDADHO CS[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H]1N(C)C ZINC000571267104 321381325 /nfs/dbraw/zinc/38/13/25/321381325.db2.gz WRBWXQWWAYHVRH-CVEARBPZSA-N 1 3 334.489 1.842 20 0 EDADHO CN1CCN(CCCNC(=O)C2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000571557321 321392463 /nfs/dbraw/zinc/39/24/63/321392463.db2.gz ZGMVARQGBVNHQO-QGZVFWFLSA-N 1 3 330.476 1.363 20 0 EDADHO CC1CCN(CCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000574783864 321501450 /nfs/dbraw/zinc/50/14/50/321501450.db2.gz YMXYMGUPQNDBJN-OAHLLOKOSA-N 1 3 331.464 1.751 20 0 EDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CO2 ZINC000296084146 444203502 /nfs/dbraw/zinc/20/35/02/444203502.db2.gz SUKJIFVQABUPRN-QGZVFWFLSA-N 1 3 333.476 1.614 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000290245003 444258233 /nfs/dbraw/zinc/25/82/33/444258233.db2.gz VUJQZSDIFJVBID-RTBURBONSA-N 1 3 345.487 1.648 20 0 EDADHO CC(C)C[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000305128826 444259681 /nfs/dbraw/zinc/25/96/81/444259681.db2.gz JGWVBAJGFOIRRT-INIZCTEOSA-N 1 3 340.512 1.251 20 0 EDADHO O=c1[nH]c2ccccc2n1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297667966 444316309 /nfs/dbraw/zinc/31/63/09/444316309.db2.gz OJPASADXYBGOKM-UHFFFAOYSA-N 1 3 337.427 1.983 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577753635 321680397 /nfs/dbraw/zinc/68/03/97/321680397.db2.gz WFYLVSSXSPTCMD-NRXGSXMXSA-N 1 3 347.434 1.942 20 0 EDADHO CCn1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976449 444288564 /nfs/dbraw/zinc/28/85/64/444288564.db2.gz WDLPGTROXDBYDO-FUHWJXTLSA-N 1 3 347.507 1.600 20 0 EDADHO CC1(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CNC1 ZINC000310093190 444290840 /nfs/dbraw/zinc/29/08/40/444290840.db2.gz SQFIJZCFGMNREA-KRWDZBQOSA-N 1 3 331.460 1.393 20 0 EDADHO CC1(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CNC1 ZINC000310093190 444290841 /nfs/dbraw/zinc/29/08/41/444290841.db2.gz SQFIJZCFGMNREA-KRWDZBQOSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295645 444291128 /nfs/dbraw/zinc/29/11/28/444291128.db2.gz OUBZMVAQPYXIKE-MRXNPFEDSA-N 1 3 332.492 1.307 20 0 EDADHO CN1CCN(CC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1(C)C ZINC000340380267 444382496 /nfs/dbraw/zinc/38/24/96/444382496.db2.gz JIPIBJPLTDAGIA-UHFFFAOYSA-N 1 3 345.553 1.205 20 0 EDADHO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@@H]3CNCCO3)nc2)C1 ZINC000580062660 322003266 /nfs/dbraw/zinc/00/32/66/322003266.db2.gz PAVVHWDVURWGFC-ZIFCJYIRSA-N 1 3 345.491 1.401 20 0 EDADHO CCC1(CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCCC1 ZINC000580235872 322026692 /nfs/dbraw/zinc/02/66/92/322026692.db2.gz QXQNOXZJVPJPBN-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@H]1CN(Cc2ccc3c(c2)nnn3C)CC[N@@H+]1C1CCN(C)CC1 ZINC000343710442 444536537 /nfs/dbraw/zinc/53/65/37/444536537.db2.gz LJFANEAZRHCGAU-HNNXBMFYSA-N 1 3 342.491 1.569 20 0 EDADHO C[C@H]1CN(Cc2ccc3c(c2)nnn3C)CC[N@H+]1C1CCN(C)CC1 ZINC000343710442 444536541 /nfs/dbraw/zinc/53/65/41/444536541.db2.gz LJFANEAZRHCGAU-HNNXBMFYSA-N 1 3 342.491 1.569 20 0 EDADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)CC[N@@H+]1C1CCN(C)CC1 ZINC000343710446 444536735 /nfs/dbraw/zinc/53/67/35/444536735.db2.gz LJFANEAZRHCGAU-OAHLLOKOSA-N 1 3 342.491 1.569 20 0 EDADHO C[C@@H]1CN(Cc2ccc3c(c2)nnn3C)CC[N@H+]1C1CCN(C)CC1 ZINC000343710446 444536739 /nfs/dbraw/zinc/53/67/39/444536739.db2.gz LJFANEAZRHCGAU-OAHLLOKOSA-N 1 3 342.491 1.569 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(CCCN(C)C)CCC[NH+](C)C)CCC1=O ZINC000343722021 444545271 /nfs/dbraw/zinc/54/52/71/444545271.db2.gz LHIBYCLFMHVWCH-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000332976312 444617541 /nfs/dbraw/zinc/61/75/41/444617541.db2.gz KQBYOHNFILXJED-HOTGVXAUSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)n2)CC1 ZINC000332976312 444617543 /nfs/dbraw/zinc/61/75/43/444617543.db2.gz KQBYOHNFILXJED-HOTGVXAUSA-N 1 3 346.479 1.898 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333260054 444651779 /nfs/dbraw/zinc/65/17/79/444651779.db2.gz ISGYSONTLDAWQJ-ZACQAIPSSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387440 444662279 /nfs/dbraw/zinc/66/22/79/444662279.db2.gz OHRUASSEGWOEQU-UGFDZVJKSA-N 1 3 346.519 1.922 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(F)(F)F)CC2)CC1 ZINC000341088432 444667284 /nfs/dbraw/zinc/66/72/84/444667284.db2.gz QJPLDNRDXCBHTC-UHFFFAOYSA-N 1 3 336.402 1.797 20 0 EDADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000333902626 444714047 /nfs/dbraw/zinc/71/40/47/444714047.db2.gz BXLYNTDHHZVPML-KRWDZBQOSA-N 1 3 344.459 1.035 20 0 EDADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344013591 444728134 /nfs/dbraw/zinc/72/81/34/444728134.db2.gz CMDSDEGUOZSSOU-FGTMMUONSA-N 1 3 340.556 1.980 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccncc1OCCN(C)C)[N@H+](C)C1CC1 ZINC000341397506 444811166 /nfs/dbraw/zinc/81/11/66/444811166.db2.gz WFOASRJONWQWHR-AWEZNQCLSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccncc1OCCN(C)C)[N@@H+](C)C1CC1 ZINC000341397506 444811167 /nfs/dbraw/zinc/81/11/67/444811167.db2.gz WFOASRJONWQWHR-AWEZNQCLSA-N 1 3 349.479 1.304 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000341429337 444825094 /nfs/dbraw/zinc/82/50/94/444825094.db2.gz KFAVJZLRWQBVCQ-UHFFFAOYSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1C[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000344204915 444838182 /nfs/dbraw/zinc/83/81/82/444838182.db2.gz BHLAQWRVHRKRBE-ROUUACIJSA-N 1 3 346.523 1.309 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000342764511 444854739 /nfs/dbraw/zinc/85/47/39/444854739.db2.gz IONNNQBQHAIRRL-UONOGXRCSA-N 1 3 327.469 1.284 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)CCC(=O)OC)C1 ZINC000342764511 444854743 /nfs/dbraw/zinc/85/47/43/444854743.db2.gz IONNNQBQHAIRRL-UONOGXRCSA-N 1 3 327.469 1.284 20 0 EDADHO COCC[NH+]1CCC(N[C@@H]2CCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000344248767 444862432 /nfs/dbraw/zinc/86/24/32/444862432.db2.gz GEUQOFHPXHFFSE-SJLPKXTDSA-N 1 3 336.480 1.994 20 0 EDADHO CC1(C)NC(=O)N(CCCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000337041372 444913895 /nfs/dbraw/zinc/91/38/95/444913895.db2.gz BKWREOXUQCRVMB-CVEARBPZSA-N 1 3 344.459 1.381 20 0 EDADHO O=C(CN1CC[C@@H](C2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000339129702 445047510 /nfs/dbraw/zinc/04/75/10/445047510.db2.gz MOGSOCNCRFIVEF-MRXNPFEDSA-N 1 3 335.492 1.478 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000343087959 445053335 /nfs/dbraw/zinc/05/33/35/445053335.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 1 3 331.460 1.067 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000343087959 445053340 /nfs/dbraw/zinc/05/33/40/445053340.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 1 3 331.460 1.067 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000339194327 445082572 /nfs/dbraw/zinc/08/25/72/445082572.db2.gz SFTOIPZBEVVQQP-SJLPKXTDSA-N 1 3 339.524 1.924 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000339194327 445082574 /nfs/dbraw/zinc/08/25/74/445082574.db2.gz SFTOIPZBEVVQQP-SJLPKXTDSA-N 1 3 339.524 1.924 20 0 EDADHO CC(C)N1CCN(CCC[NH+]2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000337355244 445045472 /nfs/dbraw/zinc/04/54/72/445045472.db2.gz ANMQSVUYCXCSFO-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050427 445230188 /nfs/dbraw/zinc/23/01/88/445230188.db2.gz NOLHZZSCUUEPAZ-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230215 /nfs/dbraw/zinc/23/02/15/445230215.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230217 /nfs/dbraw/zinc/23/02/17/445230217.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951990 445257638 /nfs/dbraw/zinc/25/76/38/445257638.db2.gz JMISKOYNQSQSHY-HUUCEWRRSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951990 445257642 /nfs/dbraw/zinc/25/76/42/445257642.db2.gz JMISKOYNQSQSHY-HUUCEWRRSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000347951990 445257646 /nfs/dbraw/zinc/25/76/46/445257646.db2.gz JMISKOYNQSQSHY-HUUCEWRRSA-N 1 3 339.480 1.251 20 0 EDADHO C[C@@H](CN1CCOCC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333393 445260131 /nfs/dbraw/zinc/26/01/31/445260131.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 1 3 329.488 1.771 20 0 EDADHO C[C@@H](CN1CCOCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348333393 445260132 /nfs/dbraw/zinc/26/01/32/445260132.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 1 3 329.488 1.771 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000351808795 445328352 /nfs/dbraw/zinc/32/83/52/445328352.db2.gz LPSBFJLNQRSTCO-RDJZCZTQSA-N 1 3 340.512 1.611 20 0 EDADHO [NH3+]CCOCCN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000357071963 445407205 /nfs/dbraw/zinc/40/72/05/445407205.db2.gz CXGPPOMPJXAIDJ-UHFFFAOYSA-N 1 3 325.478 1.094 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2)CC1 ZINC000362497587 445412481 /nfs/dbraw/zinc/41/24/81/445412481.db2.gz IRHUGSIMTZSINL-LJQANCHMSA-N 1 3 344.503 1.995 20 0 EDADHO COCCN(C)c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357046088 445392303 /nfs/dbraw/zinc/39/23/03/445392303.db2.gz IJXAAJZCCLYCGC-SFHVURJKSA-N 1 3 332.492 1.986 20 0 EDADHO CCN1CCN(c2ccccc2CN2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357050320 445395630 /nfs/dbraw/zinc/39/56/30/445395630.db2.gz MEQTYIQEEYULTC-PKOBYXMFSA-N 1 3 328.504 1.870 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000359739909 445400516 /nfs/dbraw/zinc/40/05/16/445400516.db2.gz OCUCFQXNTYNNCE-RDJZCZTQSA-N 1 3 343.537 1.333 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@@H]1[NH+](C)C ZINC000362653587 445480038 /nfs/dbraw/zinc/48/00/38/445480038.db2.gz BQWCYWSXXMQYKQ-QAPCUYQASA-N 1 3 348.491 1.719 20 0 EDADHO C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000349032578 445481931 /nfs/dbraw/zinc/48/19/31/445481931.db2.gz XNXRNOFPCNXEIP-MRXNPFEDSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO)N(C)C1CC1 ZINC000362812763 445561043 /nfs/dbraw/zinc/56/10/43/445561043.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H](CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO)N(C)C1CC1 ZINC000362812763 445561045 /nfs/dbraw/zinc/56/10/45/445561045.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 1 3 338.496 1.100 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353436231 445601040 /nfs/dbraw/zinc/60/10/40/445601040.db2.gz XHYCQPJOFFTGBQ-KGLIPLIRSA-N 1 3 347.381 1.702 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353436231 445601043 /nfs/dbraw/zinc/60/10/43/445601043.db2.gz XHYCQPJOFFTGBQ-KGLIPLIRSA-N 1 3 347.381 1.702 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356091122 445614880 /nfs/dbraw/zinc/61/48/80/445614880.db2.gz GQDHJSVBLDDUMV-KRWDZBQOSA-N 1 3 327.432 1.518 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2)CC1 ZINC000356289272 445719263 /nfs/dbraw/zinc/71/92/63/445719263.db2.gz ALDUTDXKZFPVBK-UHFFFAOYSA-N 1 3 344.503 1.995 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360889444 445738085 /nfs/dbraw/zinc/73/80/85/445738085.db2.gz NTFZFLGJKCMMES-WCXIOVBPSA-N 1 3 336.480 1.118 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360889444 445738089 /nfs/dbraw/zinc/73/80/89/445738089.db2.gz NTFZFLGJKCMMES-WCXIOVBPSA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104173 445749146 /nfs/dbraw/zinc/74/91/46/445749146.db2.gz PEQYMGWOUWIKIT-LTIDMASMSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104173 445749147 /nfs/dbraw/zinc/74/91/47/445749147.db2.gz PEQYMGWOUWIKIT-LTIDMASMSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCO2 ZINC000361162574 445750620 /nfs/dbraw/zinc/75/06/20/445750620.db2.gz CTGWWBVJDUXMQL-UKRRQHHQSA-N 1 3 333.432 1.653 20 0 EDADHO CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N(CC)CC ZINC000353779816 445752484 /nfs/dbraw/zinc/75/24/84/445752484.db2.gz KKGPRXYTYBGBTP-ZWKOTPCHSA-N 1 3 338.540 1.735 20 0 EDADHO CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N(CC)CC ZINC000353779816 445752488 /nfs/dbraw/zinc/75/24/88/445752488.db2.gz KKGPRXYTYBGBTP-ZWKOTPCHSA-N 1 3 338.540 1.735 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC(=O)[C@H](C1CC1)N1CCCC1 ZINC000356469310 445808252 /nfs/dbraw/zinc/80/82/52/445808252.db2.gz DZRCFOZJQNFSNS-SFHVURJKSA-N 1 3 346.475 1.513 20 0 EDADHO C[C@H](CN1CCOCC1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000372942262 445934047 /nfs/dbraw/zinc/93/40/47/445934047.db2.gz AQCZWUKTWBUKJR-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@H](CN1CCOCC1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000372942262 445934053 /nfs/dbraw/zinc/93/40/53/445934053.db2.gz AQCZWUKTWBUKJR-QGZVFWFLSA-N 1 3 332.492 1.951 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372882302 445901836 /nfs/dbraw/zinc/90/18/36/445901836.db2.gz SPZVOLFTQMVXBL-MJGOQNOKSA-N 1 3 342.487 1.409 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372882300 445902774 /nfs/dbraw/zinc/90/27/74/445902774.db2.gz SPZVOLFTQMVXBL-HKUYNNGSSA-N 1 3 342.487 1.409 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000582497678 325860248 /nfs/dbraw/zinc/86/02/48/325860248.db2.gz XXFZOUGBCDENKJ-KGLIPLIRSA-N 1 3 341.452 1.725 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)c2csc(CC[NH3+])n2)c2ccccc2O1 ZINC000369161279 445962892 /nfs/dbraw/zinc/96/28/92/445962892.db2.gz DTHVYFDUHCZSKK-LBPRGKRZSA-N 1 3 346.456 1.614 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000361832031 445988315 /nfs/dbraw/zinc/98/83/15/445988315.db2.gz YRDZTTYZVIXWTR-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000361832031 445988321 /nfs/dbraw/zinc/98/83/21/445988321.db2.gz YRDZTTYZVIXWTR-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CC[C@H]1N1CCN(C)CC1 ZINC000373073976 446008710 /nfs/dbraw/zinc/00/87/10/446008710.db2.gz IKNVDDBBLPAVMI-KZNAEPCWSA-N 1 3 325.497 1.487 20 0 EDADHO C[C@@H]1C[N@@H+](CCO[C@@H]2CCCCO2)CC[C@H]1N1CCN(C)CC1 ZINC000373073976 446008717 /nfs/dbraw/zinc/00/87/17/446008717.db2.gz IKNVDDBBLPAVMI-KZNAEPCWSA-N 1 3 325.497 1.487 20 0 EDADHO CC[C@@H]1CN(CC)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583129100 326006721 /nfs/dbraw/zinc/00/67/21/326006721.db2.gz UEKCRVPZQQOIAX-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CN(C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108116 326200574 /nfs/dbraw/zinc/20/05/74/326200574.db2.gz NFAHMKXCBPGHCR-IBGZPJMESA-N 1 3 333.476 1.064 20 0 EDADHO COC[C@@H]1CCCCN(CC(O)C[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000373172449 446072412 /nfs/dbraw/zinc/07/24/12/446072412.db2.gz JBNOZIRSINOGMD-QZTJIDSGSA-N 1 3 342.524 1.844 20 0 EDADHO COC[C@@H]1CCCCN(CC(O)C[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000373172449 446072419 /nfs/dbraw/zinc/07/24/19/446072419.db2.gz JBNOZIRSINOGMD-QZTJIDSGSA-N 1 3 342.524 1.844 20 0 EDADHO CCc1cccnc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000356858473 446076777 /nfs/dbraw/zinc/07/67/77/446076777.db2.gz XROLAXUMTPSTGI-QGZVFWFLSA-N 1 3 334.508 1.685 20 0 EDADHO C[C@@H](c1nnnn1C1CC1)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365276422 446119746 /nfs/dbraw/zinc/11/97/46/446119746.db2.gz RJGDACUGWGTGDD-XJKSGUPXSA-N 1 3 333.484 1.169 20 0 EDADHO CC(C)CN1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000370064675 446180414 /nfs/dbraw/zinc/18/04/14/446180414.db2.gz KFTJLAORYJPVJB-GOSISDBHSA-N 1 3 339.524 1.970 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412577 446208487 /nfs/dbraw/zinc/20/84/87/446208487.db2.gz GWLGGGMYOLSHAG-YOEHRIQHSA-N 1 3 337.489 1.656 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412577 446208490 /nfs/dbraw/zinc/20/84/90/446208490.db2.gz GWLGGGMYOLSHAG-YOEHRIQHSA-N 1 3 337.489 1.656 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365626594 446279789 /nfs/dbraw/zinc/27/97/89/446279789.db2.gz XSJNRJLKDJXJHV-SJORKVTESA-N 1 3 346.475 1.513 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365626594 446279793 /nfs/dbraw/zinc/27/97/93/446279793.db2.gz XSJNRJLKDJXJHV-SJORKVTESA-N 1 3 346.475 1.513 20 0 EDADHO COc1ccc([C@@H]2[C@H](CNC(=O)C[C@H](C[NH3+])OC)CCCN2C)cc1 ZINC000365709616 446309523 /nfs/dbraw/zinc/30/95/23/446309523.db2.gz DZUBOXJAOVHALK-KVSKMBFKSA-N 1 3 349.475 1.558 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516670 446360411 /nfs/dbraw/zinc/36/04/11/446360411.db2.gz OHUZRCFNNVKCDF-WMZOPIPTSA-N 1 3 348.491 1.605 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417545325 446364082 /nfs/dbraw/zinc/36/40/82/446364082.db2.gz JDUGZJKAYYLJSC-INIZCTEOSA-N 1 3 342.528 1.891 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000417575599 446365487 /nfs/dbraw/zinc/36/54/87/446365487.db2.gz GHOXPKLNMPWQKZ-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000417629259 446367479 /nfs/dbraw/zinc/36/74/79/446367479.db2.gz SBDLTPABPVHRKX-MAUKXSAKSA-N 1 3 348.466 1.912 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370781047 446438795 /nfs/dbraw/zinc/43/87/95/446438795.db2.gz OWKHKAHOSVSPHF-SJORKVTESA-N 1 3 330.476 1.722 20 0 EDADHO O=C1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1c1ccccc1F ZINC000423141171 446438994 /nfs/dbraw/zinc/43/89/94/446438994.db2.gz OIBREEQNXYRTOC-XJNFMUPTSA-N 1 3 347.434 1.678 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420282682 446449865 /nfs/dbraw/zinc/44/98/65/446449865.db2.gz BAEUMHJHUBFLKO-ROUUACIJSA-N 1 3 334.508 1.711 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417971043 446403829 /nfs/dbraw/zinc/40/38/29/446403829.db2.gz RFXAVIGWMFATEF-INIZCTEOSA-N 1 3 333.480 1.971 20 0 EDADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370723721 446404413 /nfs/dbraw/zinc/40/44/13/446404413.db2.gz XNKYJKRCYKCYIL-ROUUACIJSA-N 1 3 349.519 1.964 20 0 EDADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370723721 446404418 /nfs/dbraw/zinc/40/44/18/446404418.db2.gz XNKYJKRCYKCYIL-ROUUACIJSA-N 1 3 349.519 1.964 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417972863 446404541 /nfs/dbraw/zinc/40/45/41/446404541.db2.gz BUPLKIZNGNUGQJ-NJAFHUGGSA-N 1 3 330.476 1.900 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417986987 446407900 /nfs/dbraw/zinc/40/79/00/446407900.db2.gz HJZYSYQYEDQPGE-JCGIZDLHSA-N 1 3 346.475 1.180 20 0 EDADHO CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418001760 446412904 /nfs/dbraw/zinc/41/29/04/446412904.db2.gz XCWODZHDHLGINT-QGZVFWFLSA-N 1 3 348.491 1.380 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014358 446416611 /nfs/dbraw/zinc/41/66/11/446416611.db2.gz OEGZCGYDOKQFLV-QAPCUYQASA-N 1 3 330.476 1.900 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420305290 446467664 /nfs/dbraw/zinc/46/76/64/446467664.db2.gz KBCYPWYWECQNOH-WJFTUGDTSA-N 1 3 344.503 1.465 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418329641 446500990 /nfs/dbraw/zinc/50/09/90/446500990.db2.gz OUXHLUWRNURHHO-ZWKOTPCHSA-N 1 3 345.491 1.592 20 0 EDADHO Cc1ccc2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346093 446519105 /nfs/dbraw/zinc/51/91/05/446519105.db2.gz XJYNSEFNMCLGIN-JKSUJKDBSA-N 1 3 326.444 1.824 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000418399491 446529950 /nfs/dbraw/zinc/52/99/50/446529950.db2.gz LENMJXFUNUDEBL-QGZVFWFLSA-N 1 3 334.464 1.506 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363677 446545066 /nfs/dbraw/zinc/54/50/66/446545066.db2.gz BUZQXDVFOYVJPV-QGZVFWFLSA-N 1 3 334.460 1.867 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363677 446545071 /nfs/dbraw/zinc/54/50/71/446545071.db2.gz BUZQXDVFOYVJPV-QGZVFWFLSA-N 1 3 334.460 1.867 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000433182277 446545967 /nfs/dbraw/zinc/54/59/67/446545967.db2.gz NFIWLCPOVYMPDS-QGZVFWFLSA-N 1 3 330.476 1.587 20 0 EDADHO N[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1 ZINC000418451117 446546873 /nfs/dbraw/zinc/54/68/73/446546873.db2.gz MHVZENACOSRLGI-SFHVURJKSA-N 1 3 326.444 1.899 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418455687 446550523 /nfs/dbraw/zinc/55/05/23/446550523.db2.gz HBDJLOSQYILTGN-ZIAGYGMSSA-N 1 3 333.436 1.049 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CCN(C)[C@H]3C2)CC1 ZINC000375059963 446554114 /nfs/dbraw/zinc/55/41/14/446554114.db2.gz KZWKTBXFWQJTMT-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000418470468 446556608 /nfs/dbraw/zinc/55/66/08/446556608.db2.gz UYMAOZHPUJEBOX-YJBOKZPZSA-N 1 3 348.491 1.959 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC000433450341 446575369 /nfs/dbraw/zinc/57/53/69/446575369.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC000433450341 446575373 /nfs/dbraw/zinc/57/53/73/446575373.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418535038 446583949 /nfs/dbraw/zinc/58/39/49/446583949.db2.gz CEMQJNSVAJORDC-UHFFFAOYSA-N 1 3 330.476 1.988 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418547558 446590049 /nfs/dbraw/zinc/59/00/49/446590049.db2.gz JFMHEURDPZKOGZ-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418728456 446656033 /nfs/dbraw/zinc/65/60/33/446656033.db2.gz GDIXCBRETVHVEP-GFCCVEGCSA-N 1 3 334.436 1.804 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)ccc1OCCN(C)C ZINC000375256429 446675127 /nfs/dbraw/zinc/67/51/27/446675127.db2.gz QZOILBUVALYQTP-HNAYVOBHSA-N 1 3 347.459 1.251 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000420449151 446625697 /nfs/dbraw/zinc/62/56/97/446625697.db2.gz STSIMLDPLPAZBO-HNNXBMFYSA-N 1 3 325.478 1.559 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418645002 446630789 /nfs/dbraw/zinc/63/07/89/446630789.db2.gz VQKMGNVHNREPME-WMZOPIPTSA-N 1 3 330.476 1.999 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418645002 446630794 /nfs/dbraw/zinc/63/07/94/446630794.db2.gz VQKMGNVHNREPME-WMZOPIPTSA-N 1 3 330.476 1.999 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1NCCc2ccccc21 ZINC000418646926 446630871 /nfs/dbraw/zinc/63/08/71/446630871.db2.gz XOBSMTLFOFJULK-KRWDZBQOSA-N 1 3 325.416 1.102 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000418780785 446699003 /nfs/dbraw/zinc/69/90/03/446699003.db2.gz CGFVWOZECRSSQJ-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cncc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420632768 446712425 /nfs/dbraw/zinc/71/24/25/446712425.db2.gz IBGNIAJBJKGWON-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCCN1C)c1cncc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000420632768 446712430 /nfs/dbraw/zinc/71/24/30/446712430.db2.gz IBGNIAJBJKGWON-HZPDHXFCSA-N 1 3 332.496 1.537 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000411825347 446684371 /nfs/dbraw/zinc/68/43/71/446684371.db2.gz XWUBEJQJBJIVJR-SFHVURJKSA-N 1 3 339.524 1.754 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373120 446820648 /nfs/dbraw/zinc/82/06/48/446820648.db2.gz FAXMTFGAGPSMDJ-LZLYRXPVSA-N 1 3 331.435 1.858 20 0 EDADHO CC(C)N(C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424016096 446823362 /nfs/dbraw/zinc/82/33/62/446823362.db2.gz BINFOEQOTFYAIM-UHFFFAOYSA-N 1 3 332.492 1.436 20 0 EDADHO CCCCCNC(=O)[C@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425049 446846390 /nfs/dbraw/zinc/84/63/90/446846390.db2.gz QSXADLKBLFBKFR-WMZOPIPTSA-N 1 3 338.540 1.782 20 0 EDADHO [NH3+]CCCCNC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000419001785 446859214 /nfs/dbraw/zinc/85/92/14/446859214.db2.gz BLHWBJZNSVCISU-UHFFFAOYSA-N 1 3 346.475 1.144 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476987 446879532 /nfs/dbraw/zinc/87/95/32/446879532.db2.gz KUFIEGNUNJRTNR-XGXHKWSGSA-N 1 3 342.487 1.900 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCCC[C@H]1C(=[NH2+])NO)c1ccccc1 ZINC000368527981 446922698 /nfs/dbraw/zinc/92/26/98/446922698.db2.gz XUGOZMNTIWPBJX-JKSUJKDBSA-N 1 3 347.463 1.216 20 0 EDADHO CN(C[C@@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730535 447007885 /nfs/dbraw/zinc/00/78/85/447007885.db2.gz JRHVCLWYMZFQTN-INIZCTEOSA-N 1 3 337.489 1.665 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419216421 447014878 /nfs/dbraw/zinc/01/48/78/447014878.db2.gz PLHSQACMXYNXRN-OAHLLOKOSA-N 1 3 346.475 1.094 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419216421 447014883 /nfs/dbraw/zinc/01/48/83/447014883.db2.gz PLHSQACMXYNXRN-OAHLLOKOSA-N 1 3 346.475 1.094 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419166863 446983857 /nfs/dbraw/zinc/98/38/57/446983857.db2.gz HTLWIOSVXQWAES-XHSDSOJGSA-N 1 3 338.496 1.014 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCN1CCOC(C)(C)C1 ZINC000372065126 446984826 /nfs/dbraw/zinc/98/48/26/446984826.db2.gz NKEPPEGEWXLKLA-KURKYZTESA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCN1CCOC(C)(C)C1 ZINC000372065126 446984831 /nfs/dbraw/zinc/98/48/31/446984831.db2.gz NKEPPEGEWXLKLA-KURKYZTESA-N 1 3 339.524 1.576 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000443062341 447001299 /nfs/dbraw/zinc/00/12/99/447001299.db2.gz ULWDUGJNUPAQML-ROUUACIJSA-N 1 3 344.503 1.690 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000413300661 447124609 /nfs/dbraw/zinc/12/46/09/447124609.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000413300661 447124615 /nfs/dbraw/zinc/12/46/15/447124615.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 1 3 340.512 1.517 20 0 EDADHO COC1([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCC1 ZINC000421852971 447262818 /nfs/dbraw/zinc/26/28/18/447262818.db2.gz IJJNXYZWFVSINV-QGZVFWFLSA-N 1 3 339.524 1.720 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000415469479 447460412 /nfs/dbraw/zinc/46/04/12/447460412.db2.gz XLHGHFLMYGOBCR-RDJZCZTQSA-N 1 3 346.475 1.711 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000450352573 447464169 /nfs/dbraw/zinc/46/41/69/447464169.db2.gz ZBUXKPYMINDBDB-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000450352573 447464173 /nfs/dbraw/zinc/46/41/73/447464173.db2.gz ZBUXKPYMINDBDB-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419932425 447498069 /nfs/dbraw/zinc/49/80/69/447498069.db2.gz DOGCFAQBFYOVTA-OAHLLOKOSA-N 1 3 348.491 1.068 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000419948451 447508431 /nfs/dbraw/zinc/50/84/31/447508431.db2.gz FRPMWCNORKIHKK-HNNXBMFYSA-N 1 3 328.501 1.053 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCCC[NH2+]1 ZINC000391033980 447510026 /nfs/dbraw/zinc/51/00/26/447510026.db2.gz XVSYBLXBBKIQLE-RTBURBONSA-N 1 3 345.487 1.926 20 0 EDADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000427347417 447584264 /nfs/dbraw/zinc/58/42/64/447584264.db2.gz OIRCBRPMOYDZFK-JFIYKMOQSA-N 1 3 337.508 1.819 20 0 EDADHO CSC1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN(C)CC1 ZINC000416037559 447530718 /nfs/dbraw/zinc/53/07/18/447530718.db2.gz BXZFYMDISSWREQ-JTQLQIEISA-N 1 3 342.431 1.393 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000457204601 447540741 /nfs/dbraw/zinc/54/07/41/447540741.db2.gz JSOLPVFVNCWGTI-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192911 447555911 /nfs/dbraw/zinc/55/59/11/447555911.db2.gz ZYOPEHHUYDJMGL-KPFFTGBYSA-N 1 3 345.487 1.639 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000457823490 447641519 /nfs/dbraw/zinc/64/15/19/447641519.db2.gz XRPWQTOGMGEFLZ-CVEARBPZSA-N 1 3 328.501 1.109 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000416829049 447693675 /nfs/dbraw/zinc/69/36/75/447693675.db2.gz SVVXMRSGEXCSEF-YOEHRIQHSA-N 1 3 334.464 1.869 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(OCCN2CCOCC2)c1 ZINC000422724625 447730180 /nfs/dbraw/zinc/73/01/80/447730180.db2.gz WGFAKCWAOAVJRF-PKOBYXMFSA-N 1 3 333.476 1.615 20 0 EDADHO C[C@H]([C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422733076 447731991 /nfs/dbraw/zinc/73/19/91/447731991.db2.gz ARYDAJSSJUFSNA-IXIUHKBRSA-N 1 3 345.487 1.941 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422738569 447734266 /nfs/dbraw/zinc/73/42/66/447734266.db2.gz JVVXEMBHEAHPPU-RHSMWYFYSA-N 1 3 339.505 1.731 20 0 EDADHO c1ccc(CN2CCN(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422759004 447741162 /nfs/dbraw/zinc/74/11/62/447741162.db2.gz FHKCGTLQVFBYOS-YOFSQIOKSA-N 1 3 328.504 1.677 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459696338 447743020 /nfs/dbraw/zinc/74/30/20/447743020.db2.gz DNHKRCZBLXDUHO-LJQANCHMSA-N 1 3 333.476 1.148 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459696338 447743023 /nfs/dbraw/zinc/74/30/23/447743023.db2.gz DNHKRCZBLXDUHO-LJQANCHMSA-N 1 3 333.476 1.148 20 0 EDADHO CN(c1ccccc1CN1C[C@H](O)[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711179 447748265 /nfs/dbraw/zinc/74/82/65/447748265.db2.gz QSENWFVHOKWVTI-APWZRJJASA-N 1 3 333.476 1.002 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458333253 447771487 /nfs/dbraw/zinc/77/14/87/447771487.db2.gz AVXVKGOYTNQAOD-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496425305 447777998 /nfs/dbraw/zinc/77/79/98/447777998.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 1 3 343.512 1.878 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000496425305 447778000 /nfs/dbraw/zinc/77/80/00/447778000.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 1 3 343.512 1.878 20 0 EDADHO C[C@H](N)C[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000422959805 447781490 /nfs/dbraw/zinc/78/14/90/447781490.db2.gz UOUCJBRAXNZMGM-DEYYWGMASA-N 1 3 347.459 1.533 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422964461 447783049 /nfs/dbraw/zinc/78/30/49/447783049.db2.gz LSNZPIOPRDNJPN-HOCLYGCPSA-N 1 3 331.526 1.557 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CN)s1 ZINC000423104991 447805896 /nfs/dbraw/zinc/80/58/96/447805896.db2.gz HYJOPRZJSHEBDV-WRWGMCAJSA-N 1 3 325.482 1.781 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000423104991 447805897 /nfs/dbraw/zinc/80/58/97/447805897.db2.gz HYJOPRZJSHEBDV-WRWGMCAJSA-N 1 3 325.482 1.781 20 0 EDADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864914 /nfs/dbraw/zinc/86/49/14/447864914.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 1 3 334.508 1.841 20 0 EDADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864917 /nfs/dbraw/zinc/86/49/17/447864917.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 1 3 334.508 1.841 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000575780208 447897148 /nfs/dbraw/zinc/89/71/48/447897148.db2.gz FNWDIUYTYNBNFP-ROKHWSDSSA-N 1 3 348.413 1.924 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C[C@H]3CN(C)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000496843411 447961235 /nfs/dbraw/zinc/96/12/35/447961235.db2.gz AVCSNUQCJKIBPU-IIAWOOMASA-N 1 3 325.453 1.258 20 0 EDADHO O=C(NCC1CC[NH2+]CC1)NCC1CCN(c2ccncc2)CC1 ZINC000570427970 448012126 /nfs/dbraw/zinc/01/21/26/448012126.db2.gz KCBIYABIBLQIDC-UHFFFAOYSA-N 1 3 331.464 1.597 20 0 EDADHO C[C@@H]1CC[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286432 448041104 /nfs/dbraw/zinc/04/11/04/448041104.db2.gz XNOHHBMYRMBVOE-CPUCHLNUSA-N 1 3 327.469 1.431 20 0 EDADHO C[C@@H]1CC[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)CN1C(=O)OC(C)(C)C ZINC000497286432 448041106 /nfs/dbraw/zinc/04/11/06/448041106.db2.gz XNOHHBMYRMBVOE-CPUCHLNUSA-N 1 3 327.469 1.431 20 0 EDADHO CC(C)C[C@@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000531294582 448056554 /nfs/dbraw/zinc/05/65/54/448056554.db2.gz OWZLYRHRHMQGAL-AZUAARDMSA-N 1 3 347.503 1.716 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000571071538 448105344 /nfs/dbraw/zinc/10/53/44/448105344.db2.gz SGOYAKIAFWPLMM-KRWDZBQOSA-N 1 3 340.512 1.110 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000502757296 448105940 /nfs/dbraw/zinc/10/59/40/448105940.db2.gz ZVIJPBQNVBTCDA-JYJNAYRXSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531570049 448108021 /nfs/dbraw/zinc/10/80/21/448108021.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 1 3 343.471 1.222 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531570049 448108025 /nfs/dbraw/zinc/10/80/25/448108025.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 1 3 343.471 1.222 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882834 448142634 /nfs/dbraw/zinc/14/26/34/448142634.db2.gz KOQFVRMUHRKREN-DVBCCOPCSA-N 1 3 337.508 1.844 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882834 448142638 /nfs/dbraw/zinc/14/26/38/448142638.db2.gz KOQFVRMUHRKREN-DVBCCOPCSA-N 1 3 337.508 1.844 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)c1 ZINC000576888608 448164343 /nfs/dbraw/zinc/16/43/43/448164343.db2.gz PLWBJHWMNBUTLH-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000562763023 448268829 /nfs/dbraw/zinc/26/88/29/448268829.db2.gz GQVQAKQJMCWJKN-CQSZACIVSA-N 1 3 334.468 1.661 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000577362449 448274867 /nfs/dbraw/zinc/27/48/67/448274867.db2.gz PFNOKMBRNHHYRU-HXUWFJFHSA-N 1 3 348.535 1.226 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459411 448371953 /nfs/dbraw/zinc/37/19/53/448371953.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 1 3 333.476 1.764 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459411 448371959 /nfs/dbraw/zinc/37/19/59/448371959.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 1 3 333.476 1.764 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)n(C)n3)CC2)CC1 ZINC000565181582 448359236 /nfs/dbraw/zinc/35/92/36/448359236.db2.gz JUOVFODDNHNDKA-UHFFFAOYSA-N 1 3 333.480 1.863 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599712 448418335 /nfs/dbraw/zinc/41/83/35/448418335.db2.gz KUGCSVFOMCQHED-QZTJIDSGSA-N 1 3 336.524 1.393 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(Cc3ccsc3)CC2)C1 ZINC000577995589 448434527 /nfs/dbraw/zinc/43/45/27/448434527.db2.gz CCNNGHXHGMHARU-OAHLLOKOSA-N 1 3 336.505 1.063 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC([NH3+])C1 ZINC000572720241 448447853 /nfs/dbraw/zinc/44/78/53/448447853.db2.gz LQMWPMUQXALBEN-UHFFFAOYSA-N 1 3 330.476 1.537 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000584459605 448534035 /nfs/dbraw/zinc/53/40/35/448534035.db2.gz ZWTIDZKXFZSTKD-UAGQMJEPSA-N 1 3 336.480 1.151 20 0 EDADHO O[C@]1(C(F)F)CCN(CCCC[N@@H+]2CC[C@](O)(C(F)F)C2)C1 ZINC000578485263 448557129 /nfs/dbraw/zinc/55/71/29/448557129.db2.gz MUWRUFLDLLTZTA-ZIAGYGMSSA-N 1 3 328.350 1.170 20 0 EDADHO O[C@]1(C(F)F)CCN(CCCC[N@H+]2CC[C@](O)(C(F)F)C2)C1 ZINC000578485263 448557132 /nfs/dbraw/zinc/55/71/32/448557132.db2.gz MUWRUFLDLLTZTA-ZIAGYGMSSA-N 1 3 328.350 1.170 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](O)CC3)CC2)CC1 ZINC000578521637 448570180 /nfs/dbraw/zinc/57/01/80/448570180.db2.gz ZCDVFKCCZZHRLC-SFHVURJKSA-N 1 3 337.508 1.556 20 0 EDADHO Cc1c2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2nn1C ZINC000578410466 448536145 /nfs/dbraw/zinc/53/61/45/448536145.db2.gz GEMGCWMLSYKEGP-UHFFFAOYSA-N 1 3 346.479 1.839 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000584519468 448553814 /nfs/dbraw/zinc/55/38/14/448553814.db2.gz OUHYKWPGOCEIHG-HYVNUMGLSA-N 1 3 332.448 1.019 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518032341 448640856 /nfs/dbraw/zinc/64/08/56/448640856.db2.gz UZWXLGDOECLMAT-ZWKOTPCHSA-N 1 3 330.476 1.846 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528780085 448672923 /nfs/dbraw/zinc/67/29/23/448672923.db2.gz BKJYGUBCXDPXFL-JLHGSKIFSA-N 1 3 327.538 1.388 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528780085 448672928 /nfs/dbraw/zinc/67/29/28/448672928.db2.gz BKJYGUBCXDPXFL-JLHGSKIFSA-N 1 3 327.538 1.388 20 0 EDADHO CC[C@@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000567349958 448672952 /nfs/dbraw/zinc/67/29/52/448672952.db2.gz IZSYATFYVJDCIY-OAHLLOKOSA-N 1 3 333.436 1.578 20 0 EDADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1F ZINC000578770702 448634536 /nfs/dbraw/zinc/63/45/36/448634536.db2.gz ZLVFJNJSDDJIDX-HNNXBMFYSA-N 1 3 326.412 1.002 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]([C@@H](C)O)C3)CC2)CC1 ZINC000518741534 448704113 /nfs/dbraw/zinc/70/41/13/448704113.db2.gz ARUYGYBDEBEZIL-NVXWUHKLSA-N 1 3 337.508 1.412 20 0 EDADHO C[C@@H](OCc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574007683 448768108 /nfs/dbraw/zinc/76/81/08/448768108.db2.gz KLPFYBYNZVUHNB-OAHLLOKOSA-N 1 3 339.455 1.683 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000519407781 448768340 /nfs/dbraw/zinc/76/83/40/448768340.db2.gz ZOOFNJGWOFCQBC-NEWSRXKRSA-N 1 3 347.503 1.810 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000519407781 448768342 /nfs/dbraw/zinc/76/83/42/448768342.db2.gz ZOOFNJGWOFCQBC-NEWSRXKRSA-N 1 3 347.503 1.810 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545883142 448803888 /nfs/dbraw/zinc/80/38/88/448803888.db2.gz OXUJLUZNLNLVDH-SJLPKXTDSA-N 1 3 340.512 1.109 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567911835 448781646 /nfs/dbraw/zinc/78/16/46/448781646.db2.gz DCLUWNXCPBQJEF-IBGZPJMESA-N 1 3 344.503 1.214 20 0 EDADHO CN(C)CCN1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567911835 448781649 /nfs/dbraw/zinc/78/16/49/448781649.db2.gz DCLUWNXCPBQJEF-IBGZPJMESA-N 1 3 344.503 1.214 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCCNCc3cccnc3)c21 ZINC000592458561 448846723 /nfs/dbraw/zinc/84/67/23/448846723.db2.gz MLEYDJGBSDTKAN-HNNXBMFYSA-N 1 3 342.447 1.024 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000574411712 448869116 /nfs/dbraw/zinc/86/91/16/448869116.db2.gz PDZYCUDXEAMYFQ-INIZCTEOSA-N 1 3 336.524 1.345 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C[C@@H]3C)CC2)CC1 ZINC000574411712 448869121 /nfs/dbraw/zinc/86/91/21/448869121.db2.gz PDZYCUDXEAMYFQ-INIZCTEOSA-N 1 3 336.524 1.345 20 0 EDADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547464595 448883948 /nfs/dbraw/zinc/88/39/48/448883948.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000547464595 448883951 /nfs/dbraw/zinc/88/39/51/448883951.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@H]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529762 448897310 /nfs/dbraw/zinc/89/73/10/448897310.db2.gz ZWKIFMGIGQJLMW-KRWDZBQOSA-N 1 3 336.524 1.395 20 0 EDADHO CCO[C@@H](C)c1noc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000569490166 449034045 /nfs/dbraw/zinc/03/40/45/449034045.db2.gz RXFTXSDGSPKEOQ-GJZGRUSLSA-N 1 3 337.468 1.284 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H](N4CCCC4)C3)c21 ZINC000592956218 449077013 /nfs/dbraw/zinc/07/70/13/449077013.db2.gz DXKVYLBXIQSWNF-GJZGRUSLSA-N 1 3 331.464 1.420 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530277511 449101439 /nfs/dbraw/zinc/10/14/39/449101439.db2.gz WBWKMFCFJYZBPK-MSOLQXFVSA-N 1 3 337.508 1.913 20 0 EDADHO CSCc1cccnc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597941856 449151090 /nfs/dbraw/zinc/15/10/90/449151090.db2.gz FBDGRCOOXCQECK-AWEZNQCLSA-N 1 3 338.521 1.946 20 0 EDADHO CSCc1cccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597941856 449151092 /nfs/dbraw/zinc/15/10/92/449151092.db2.gz FBDGRCOOXCQECK-AWEZNQCLSA-N 1 3 338.521 1.946 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1CCOC[C@H]1[C@H]1CCCN1C ZINC000590563931 449191874 /nfs/dbraw/zinc/19/18/74/449191874.db2.gz AWTUTCJBRAXJHG-CVEARBPZSA-N 1 3 343.537 1.383 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)c21 ZINC000595958610 449282409 /nfs/dbraw/zinc/28/24/09/449282409.db2.gz FQSTYERZMJXACS-IMJJTQAJSA-N 1 3 331.464 1.466 20 0 EDADHO COc1cccc(-c2n[nH]cc2C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000607167945 449582475 /nfs/dbraw/zinc/58/24/75/449582475.db2.gz WKGYAGAZJRXFQM-UHFFFAOYSA-N 1 3 330.432 1.632 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409774 449611413 /nfs/dbraw/zinc/61/14/13/449611413.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 1 3 346.475 1.017 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409774 449611421 /nfs/dbraw/zinc/61/14/21/449611421.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 1 3 346.475 1.017 20 0 EDADHO Cc1nc2ccccc2n1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504920 449649482 /nfs/dbraw/zinc/64/94/82/449649482.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 1 3 345.491 1.733 20 0 EDADHO Cc1nc2ccccc2n1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504920 449649487 /nfs/dbraw/zinc/64/94/87/449649487.db2.gz PIYHWHMPWTYVSW-HNNXBMFYSA-N 1 3 345.491 1.733 20 0 EDADHO CC(C)Oc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617506550 449656167 /nfs/dbraw/zinc/65/61/67/449656167.db2.gz RYVGCAMCZXSGNI-HNNXBMFYSA-N 1 3 336.480 1.871 20 0 EDADHO CC(C)Oc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617506550 449656171 /nfs/dbraw/zinc/65/61/71/449656171.db2.gz RYVGCAMCZXSGNI-HNNXBMFYSA-N 1 3 336.480 1.871 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508014 449639457 /nfs/dbraw/zinc/63/94/57/449639457.db2.gz YSWJBGVPFCQNNG-HOTGVXAUSA-N 1 3 337.464 1.300 20 0 EDADHO CON1CCC(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000617502117 449644302 /nfs/dbraw/zinc/64/43/02/449644302.db2.gz CRECDOZKVJQJHV-HNNXBMFYSA-N 1 3 328.501 1.038 20 0 EDADHO CON1CCC(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000617502117 449644305 /nfs/dbraw/zinc/64/43/05/449644305.db2.gz CRECDOZKVJQJHV-HNNXBMFYSA-N 1 3 328.501 1.038 20 0 EDADHO COCc1nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000617504671 449649067 /nfs/dbraw/zinc/64/90/67/449649067.db2.gz FDKGGUVYJGRIDN-LBPRGKRZSA-N 1 3 328.482 1.291 20 0 EDADHO COCc1nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000617504671 449649071 /nfs/dbraw/zinc/64/90/71/449649071.db2.gz FDKGGUVYJGRIDN-LBPRGKRZSA-N 1 3 328.482 1.291 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CCN(C)CC1 ZINC000599064029 449715151 /nfs/dbraw/zinc/71/51/51/449715151.db2.gz BBTAWGJCNUKAHA-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCN(C)CC1 ZINC000599064029 449715162 /nfs/dbraw/zinc/71/51/62/449715162.db2.gz BBTAWGJCNUKAHA-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000594947193 449816826 /nfs/dbraw/zinc/81/68/26/449816826.db2.gz XEPYDURVGRJDNP-KBAYOESNSA-N 1 3 346.471 1.801 20 0 EDADHO O=C(NC1CCN(CCO)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000601328932 449836250 /nfs/dbraw/zinc/83/62/50/449836250.db2.gz AOYUXHRWGDNPQN-KRWDZBQOSA-N 1 3 338.496 1.103 20 0 EDADHO C[C@@H](CSCCF)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000595052907 449850217 /nfs/dbraw/zinc/85/02/17/449850217.db2.gz SMFONZCUDHQEFO-HNNXBMFYSA-N 1 3 333.517 1.464 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612907165 449936881 /nfs/dbraw/zinc/93/68/81/449936881.db2.gz NQBMTNXZJCAXJF-LJQANCHMSA-N 1 3 346.475 1.711 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081176 449941781 /nfs/dbraw/zinc/94/17/81/449941781.db2.gz YYYXWKOMBUPQFU-FHWLQOOXSA-N 1 3 345.487 1.074 20 0 EDADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081176 449941788 /nfs/dbraw/zinc/94/17/88/449941788.db2.gz YYYXWKOMBUPQFU-FHWLQOOXSA-N 1 3 345.487 1.074 20 0 EDADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000617928857 449924329 /nfs/dbraw/zinc/92/43/29/449924329.db2.gz XQQQYVYILHALJF-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO CCN(C(=O)CC1(N2CCOCC2)CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928857 449924337 /nfs/dbraw/zinc/92/43/37/449924337.db2.gz XQQQYVYILHALJF-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985665 449971656 /nfs/dbraw/zinc/97/16/56/449971656.db2.gz MFJSPFZWAIGTJQ-GDBMZVCRSA-N 1 3 336.480 1.023 20 0 EDADHO CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000615271518 450035204 /nfs/dbraw/zinc/03/52/04/450035204.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615271518 450035209 /nfs/dbraw/zinc/03/52/09/450035209.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 1 3 337.508 1.963 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595550872 450226433 /nfs/dbraw/zinc/22/64/33/450226433.db2.gz NUMGXAKOAKNAJQ-HNNXBMFYSA-N 1 3 344.496 1.558 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)CC1 ZINC000622945285 450343396 /nfs/dbraw/zinc/34/33/96/450343396.db2.gz AEYNEIOJGYFVBU-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419645 450519403 /nfs/dbraw/zinc/51/94/03/450519403.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419645 450519405 /nfs/dbraw/zinc/51/94/05/450519405.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1(C[NH3+])CCCCC1 ZINC000633049095 450646815 /nfs/dbraw/zinc/64/68/15/450646815.db2.gz RHLOOHUJKJMSQI-UHFFFAOYSA-N 1 3 346.475 1.773 20 0 EDADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114955 450711597 /nfs/dbraw/zinc/71/15/97/450711597.db2.gz KOJYKKSDQDWUBA-HNNXBMFYSA-N 1 3 343.479 1.556 20 0 EDADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524760 450725989 /nfs/dbraw/zinc/72/59/89/450725989.db2.gz OOJBKIHWHRXEET-QGZVFWFLSA-N 1 3 345.447 1.516 20 0 EDADHO Cc1cnccc1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552781 450732185 /nfs/dbraw/zinc/73/21/85/450732185.db2.gz PYVNYXZJGMEGPM-QGZVFWFLSA-N 1 3 340.475 1.902 20 0 EDADHO O=C(NCC[NH2+]C[C@@H](O)CN1CCCC1)c1ccccc1Cl ZINC000629555135 450733650 /nfs/dbraw/zinc/73/36/50/450733650.db2.gz WMANUFXDIGCVPT-CYBMUJFWSA-N 1 3 325.840 1.116 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577122 450745558 /nfs/dbraw/zinc/74/55/58/450745558.db2.gz PYETTWLAVCSUGC-VQTJNVASSA-N 1 3 331.504 1.943 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@H](C)C1 ZINC000631746066 450747439 /nfs/dbraw/zinc/74/74/39/450747439.db2.gz BDHDVCZXDYSYQD-NVXWUHKLSA-N 1 3 333.480 1.392 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CCCN2CCCC2)C1 ZINC000631758804 450754589 /nfs/dbraw/zinc/75/45/89/450754589.db2.gz JTQKFDBUCWDLBS-IAGOWNOFSA-N 1 3 345.553 1.760 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266691 450771455 /nfs/dbraw/zinc/77/14/55/450771455.db2.gz SWJFNVXKEFDOGE-WDSOQIARSA-N 1 3 332.492 1.602 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266691 450771460 /nfs/dbraw/zinc/77/14/60/450771460.db2.gz SWJFNVXKEFDOGE-WDSOQIARSA-N 1 3 332.492 1.602 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000631835041 450804650 /nfs/dbraw/zinc/80/46/50/450804650.db2.gz LDESYMUOOGBDNQ-MSOLQXFVSA-N 1 3 332.492 1.609 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000626888753 450985166 /nfs/dbraw/zinc/98/51/66/450985166.db2.gz XMHDFAUFXKZIOL-RHSMWYFYSA-N 1 3 346.475 1.724 20 0 EDADHO CCN(CC[NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000626936805 451018263 /nfs/dbraw/zinc/01/82/63/451018263.db2.gz ZPGQABJYFPAZDW-GOSISDBHSA-N 1 3 347.507 1.355 20 0 EDADHO CCCCN(C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626976713 451046124 /nfs/dbraw/zinc/04/61/24/451046124.db2.gz NFMRTTIGTLLBCE-QGZVFWFLSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635559825 451056942 /nfs/dbraw/zinc/05/69/42/451056942.db2.gz WAGZTQTVYIEOBU-ZDUSSCGKSA-N 1 3 347.463 1.374 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000622144322 451065582 /nfs/dbraw/zinc/06/55/82/451065582.db2.gz VISQOTNNXVXAPE-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627127950 451141100 /nfs/dbraw/zinc/14/11/00/451141100.db2.gz AQQSLDJWAQADIM-IRXDYDNUSA-N 1 3 346.475 1.882 20 0 EDADHO CN1CCC[C@]2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)C1 ZINC000632371128 451232788 /nfs/dbraw/zinc/23/27/88/451232788.db2.gz VSFWIUVTELOKGX-INIZCTEOSA-N 1 3 329.510 1.220 20 0 EDADHO O=C(CN1CCNCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000638084669 451248573 /nfs/dbraw/zinc/24/85/73/451248573.db2.gz GLZMMBPBXJZBDT-UHFFFAOYSA-N 1 3 344.503 1.584 20 0 EDADHO C[C@@H]1CN(CCOC2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000625275997 451253435 /nfs/dbraw/zinc/25/34/35/451253435.db2.gz JYQAWZJOUMFUIR-AEFFLSMTSA-N 1 3 325.497 1.140 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638099404 451265488 /nfs/dbraw/zinc/26/54/88/451265488.db2.gz HMXGDCGNZOWZJS-INIZCTEOSA-N 1 3 330.476 1.233 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](OC)CN2)C1 ZINC000638112117 451279365 /nfs/dbraw/zinc/27/93/65/451279365.db2.gz QMJVNBWRVDTSGJ-IIDMSEBBSA-N 1 3 325.497 1.770 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](OC)CN2)C1 ZINC000638112117 451279367 /nfs/dbraw/zinc/27/93/67/451279367.db2.gz QMJVNBWRVDTSGJ-IIDMSEBBSA-N 1 3 325.497 1.770 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843483 451292763 /nfs/dbraw/zinc/29/27/63/451292763.db2.gz ULKQUDCARBGPPA-FQEVSTJZSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C)CCn1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000630661905 451315218 /nfs/dbraw/zinc/31/52/18/451315218.db2.gz ZMDUQLLQJWMWAY-UHFFFAOYSA-N 1 3 329.448 1.436 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(CCN(C)C)c2)c1 ZINC000630806575 451411906 /nfs/dbraw/zinc/41/19/06/451411906.db2.gz XWLKAAJPCFIFEC-UHFFFAOYSA-N 1 3 343.475 1.826 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(CCN(C)C)c2)c1 ZINC000630806575 451411911 /nfs/dbraw/zinc/41/19/11/451411911.db2.gz XWLKAAJPCFIFEC-UHFFFAOYSA-N 1 3 343.475 1.826 20 0 EDADHO COC[C@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCCN1 ZINC000638297385 451413949 /nfs/dbraw/zinc/41/39/49/451413949.db2.gz DGOQWCHQPBNYIG-SFHVURJKSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688402 451464980 /nfs/dbraw/zinc/46/49/80/451464980.db2.gz RCJVUINFONMDBP-PMPSAXMXSA-N 1 3 333.480 1.566 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391719 451481784 /nfs/dbraw/zinc/48/17/84/451481784.db2.gz YVOHJICOEKXWHJ-BPQIPLTHSA-N 1 3 332.492 1.422 20 0 EDADHO OC[C@@H](Cc1ccccc1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721240 451501135 /nfs/dbraw/zinc/50/11/35/451501135.db2.gz VOZNJLHUXIZVKN-NHCUHLMSSA-N 1 3 340.467 1.817 20 0 EDADHO OC[C@@H](Cc1ccccc1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721240 451501143 /nfs/dbraw/zinc/50/11/43/451501143.db2.gz VOZNJLHUXIZVKN-NHCUHLMSSA-N 1 3 340.467 1.817 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cn1 ZINC000632686584 451521321 /nfs/dbraw/zinc/52/13/21/451521321.db2.gz DLRRLJYBTKUOBC-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO c1ncc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779072 451543381 /nfs/dbraw/zinc/54/33/81/451543381.db2.gz BUPPUSBEIZBYGV-QGFMHUBQSA-N 1 3 329.444 1.238 20 0 EDADHO c1ncc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000634779072 451543387 /nfs/dbraw/zinc/54/33/87/451543387.db2.gz BUPPUSBEIZBYGV-QGFMHUBQSA-N 1 3 329.444 1.238 20 0 EDADHO NC[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000638783987 451690782 /nfs/dbraw/zinc/69/07/82/451690782.db2.gz QCHDSFGAKNDXGN-ROUUACIJSA-N 1 3 349.450 1.485 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956024 451668275 /nfs/dbraw/zinc/66/82/75/451668275.db2.gz SQSQRBCUNIJREJ-UONOGXRCSA-N 1 3 344.381 1.758 20 0 EDADHO C[C@H](NC(=O)NCCN1CC[C@H](O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000637137838 451738089 /nfs/dbraw/zinc/73/80/89/451738089.db2.gz USZUMLSAJPUQSC-BHYGNILZSA-N 1 3 334.464 1.044 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151131 451741472 /nfs/dbraw/zinc/74/14/72/451741472.db2.gz XPJDZCIHTUPMPA-NJAFHUGGSA-N 1 3 346.475 1.015 20 0 EDADHO CC(C)(C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)N1CCOCC1 ZINC000638976477 451744262 /nfs/dbraw/zinc/74/42/62/451744262.db2.gz INFWMVZXEKDBKN-IBGZPJMESA-N 1 3 347.503 1.454 20 0 EDADHO CCN1CCN(CCC(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1 ZINC000639022897 451753326 /nfs/dbraw/zinc/75/33/26/451753326.db2.gz JQLNWHBWICUDKM-MRXNPFEDSA-N 1 3 330.476 1.178 20 0 EDADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000649072008 451808523 /nfs/dbraw/zinc/80/85/23/451808523.db2.gz WVHCRNBRPYACCS-RDJZCZTQSA-N 1 3 346.475 1.258 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310596 451819907 /nfs/dbraw/zinc/81/99/07/451819907.db2.gz XWZUDIFUXROJFN-WOJBJXKFSA-N 1 3 348.487 1.784 20 0 EDADHO CC(C)c1cc(NCC2([NH+](C)C)CC2)nc(NCC2(N(C)C)CC2)n1 ZINC000642310905 451858051 /nfs/dbraw/zinc/85/80/51/451858051.db2.gz WXMNYPXSYGEUIY-UHFFFAOYSA-N 1 3 346.523 1.456 20 0 EDADHO COC[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000649278622 451948739 /nfs/dbraw/zinc/94/87/39/451948739.db2.gz RBELKKVPDRYKCO-MJGOQNOKSA-N 1 3 331.460 1.708 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645008 451905320 /nfs/dbraw/zinc/90/53/20/451905320.db2.gz AHJATPHZWPEEOY-HNNXBMFYSA-N 1 3 338.496 1.097 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC000646923740 451941116 /nfs/dbraw/zinc/94/11/16/451941116.db2.gz YXXLJSQZFGYLRX-WMZOPIPTSA-N 1 3 328.460 1.769 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288551 451962987 /nfs/dbraw/zinc/96/29/87/451962987.db2.gz YOFKVEGJEGINHC-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3(C)CNC3)cc2)C1 ZINC000649288551 451962993 /nfs/dbraw/zinc/96/29/93/451962993.db2.gz YOFKVEGJEGINHC-INIZCTEOSA-N 1 3 345.487 1.913 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@]1(N)CCN(C)C1)Cc1ccccc1 ZINC000649292627 451969749 /nfs/dbraw/zinc/96/97/49/451969749.db2.gz UFAITNCIPJBGII-MJGOQNOKSA-N 1 3 332.492 1.089 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000649320075 451998852 /nfs/dbraw/zinc/99/88/52/451998852.db2.gz NOYORVLHPUJZFC-HKUYNNGSSA-N 1 3 345.487 1.635 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC(=O)COC2(C)CNC2)cc1 ZINC000649321567 451999425 /nfs/dbraw/zinc/99/94/25/451999425.db2.gz BHLSTKSXGUIRAH-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649323769 452003513 /nfs/dbraw/zinc/00/35/13/452003513.db2.gz YLVDBVBJSGNJEV-DOTOQJQBSA-N 1 3 331.460 1.564 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COC2(C)CNC2)CC1 ZINC000649323779 452003842 /nfs/dbraw/zinc/00/38/42/452003842.db2.gz ZBYQJWFRUYPSOY-HNNXBMFYSA-N 1 3 331.460 1.707 20 0 EDADHO C[C@]1(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCC[NH2+]1 ZINC000649332237 452013416 /nfs/dbraw/zinc/01/34/16/452013416.db2.gz ITUQSQLBHYPBPR-LJQANCHMSA-N 1 3 344.459 1.593 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CNCCC2(F)F)[C@@H](C)C1 ZINC000649334409 452014132 /nfs/dbraw/zinc/01/41/32/452014132.db2.gz DKZZZQKLWKZOKG-ZNMIVQPWSA-N 1 3 347.450 1.484 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CNCCC2(F)F)[C@@H](C)C1 ZINC000649334409 452014138 /nfs/dbraw/zinc/01/41/38/452014138.db2.gz DKZZZQKLWKZOKG-ZNMIVQPWSA-N 1 3 347.450 1.484 20 0 EDADHO COC[C@@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342874 452023340 /nfs/dbraw/zinc/02/33/40/452023340.db2.gz VBMBLQULWDJXMU-PKOBYXMFSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2O1 ZINC000649347306 452030042 /nfs/dbraw/zinc/03/00/42/452030042.db2.gz PKUQIKQJZLCNNY-IXDOHACOSA-N 1 3 343.471 1.978 20 0 EDADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCN(CCO)CC3)ccc21 ZINC000653617182 452043145 /nfs/dbraw/zinc/04/31/45/452043145.db2.gz AWVNDNZLILJXJS-SFHVURJKSA-N 1 3 346.475 1.814 20 0 EDADHO COc1cc(OC)c(CN(C)CCC[NH+]2CCN(C)CC2)cc1F ZINC000651808555 452091594 /nfs/dbraw/zinc/09/15/94/452091594.db2.gz WAXFHKKJBNMXMH-UHFFFAOYSA-N 1 3 339.455 1.912 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637847809 452113625 /nfs/dbraw/zinc/11/36/25/452113625.db2.gz DNGMBZHZNBSPAK-CYBMUJFWSA-N 1 3 333.436 1.017 20 0 EDADHO CCN1CCN(C(=O)CC2CCN(C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649524934 452124836 /nfs/dbraw/zinc/12/48/36/452124836.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCN(C(=O)CC2CCN(C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649524934 452124843 /nfs/dbraw/zinc/12/48/43/452124843.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCN3C)CC2)CC1 ZINC000649524934 452124848 /nfs/dbraw/zinc/12/48/48/452124848.db2.gz YCUWFZNDHWPSNY-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CC[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@H]1[NH3+] ZINC000647268404 452154797 /nfs/dbraw/zinc/15/47/97/452154797.db2.gz BDWRANOCKJSURN-GDBMZVCRSA-N 1 3 325.478 1.496 20 0 EDADHO Cc1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)n(C2CCN(C)CC2)n1 ZINC000654015494 452205179 /nfs/dbraw/zinc/20/51/79/452205179.db2.gz YJNVPEUDOMEZNM-FZNQNYSPSA-N 1 3 348.495 1.920 20 0 EDADHO C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000643465650 452236225 /nfs/dbraw/zinc/23/62/25/452236225.db2.gz KMYZTWQVCGNXRO-KSSFIOAISA-N 1 3 330.476 1.936 20 0 EDADHO CCc1cccc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000647517895 452252779 /nfs/dbraw/zinc/25/27/79/452252779.db2.gz RZBYPPHSHLYGFP-GOSISDBHSA-N 1 3 336.476 1.425 20 0 EDADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788914 452266262 /nfs/dbraw/zinc/26/62/62/452266262.db2.gz WEZKADDFADNESR-OTWHNJEPSA-N 1 3 338.540 1.103 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1 ZINC000663560238 452274733 /nfs/dbraw/zinc/27/47/33/452274733.db2.gz JZRIJFAAGIXYLY-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@H](CN1CCCC1)c1ccccc1 ZINC000659435768 452284297 /nfs/dbraw/zinc/28/42/97/452284297.db2.gz NDDNBFQXVVPSTC-URSIVYNOSA-N 1 3 328.460 1.875 20 0 EDADHO COc1cccc([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000638052123 452325380 /nfs/dbraw/zinc/32/53/80/452325380.db2.gz XPHJWJDAZDJCQY-AEFFLSMTSA-N 1 3 329.444 1.996 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641887557 452340133 /nfs/dbraw/zinc/34/01/33/452340133.db2.gz XIDRWZWXHWETNW-GOSISDBHSA-N 1 3 348.491 1.877 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000638059859 452352692 /nfs/dbraw/zinc/35/26/92/452352692.db2.gz OJWHXXDANBFKLH-IBGZPJMESA-N 1 3 341.455 1.943 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509359 452373670 /nfs/dbraw/zinc/37/36/70/452373670.db2.gz ZBJQMSNVIBHZSX-ROUUACIJSA-N 1 3 346.475 1.195 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638073562 452383521 /nfs/dbraw/zinc/38/35/21/452383521.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638073562 452383527 /nfs/dbraw/zinc/38/35/27/452383527.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 1 3 330.476 1.189 20 0 EDADHO Cc1csc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663680420 452415989 /nfs/dbraw/zinc/41/59/89/452415989.db2.gz PWLYCMXQXPXDDL-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO Cc1csc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663680420 452415995 /nfs/dbraw/zinc/41/59/95/452415995.db2.gz PWLYCMXQXPXDDL-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)CN1 ZINC000659564569 452419177 /nfs/dbraw/zinc/41/91/77/452419177.db2.gz CPGUEQDAWOTWLR-CVEARBPZSA-N 1 3 345.491 1.685 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659566396 452421656 /nfs/dbraw/zinc/42/16/56/452421656.db2.gz KLLXCTCCINIWNG-GOSISDBHSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000652319670 452493822 /nfs/dbraw/zinc/49/38/22/452493822.db2.gz DIKGRNAMAXCKRH-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000659635131 452497463 /nfs/dbraw/zinc/49/74/63/452497463.db2.gz AVPFFEVZTLHQFZ-QGZVFWFLSA-N 1 3 332.492 1.944 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000655680200 452507408 /nfs/dbraw/zinc/50/74/08/452507408.db2.gz JOKXMGHTACDUCW-HZPDHXFCSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345450 452520170 /nfs/dbraw/zinc/52/01/70/452520170.db2.gz CCXHXKJNYIYFCW-FLXSYLCISA-N 1 3 337.508 1.994 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655708760 452525498 /nfs/dbraw/zinc/52/54/98/452525498.db2.gz OFLWAZAUZKIFBX-PKOBYXMFSA-N 1 3 338.540 1.103 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000654473622 452539725 /nfs/dbraw/zinc/53/97/25/452539725.db2.gz PZMMUMXSIBYNSA-QGZVFWFLSA-N 1 3 342.553 1.940 20 0 EDADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cn1 ZINC000666090176 452579384 /nfs/dbraw/zinc/57/93/84/452579384.db2.gz MCUVSYXSKLVINN-DOTOQJQBSA-N 1 3 332.492 1.779 20 0 EDADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663875921 452598993 /nfs/dbraw/zinc/59/89/93/452598993.db2.gz HJXNCAIQMVKUNN-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663875921 452599001 /nfs/dbraw/zinc/59/90/01/452599001.db2.gz HJXNCAIQMVKUNN-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655914220 452672832 /nfs/dbraw/zinc/67/28/32/452672832.db2.gz DXCAXRPAONGBJI-AWEZNQCLSA-N 1 3 346.397 1.958 20 0 EDADHO CCc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)on1 ZINC000664202826 452874986 /nfs/dbraw/zinc/87/49/86/452874986.db2.gz KYCUSDMWWDQWJA-ZDUSSCGKSA-N 1 3 325.457 1.308 20 0 EDADHO CCc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)on1 ZINC000664202826 452874990 /nfs/dbraw/zinc/87/49/90/452874990.db2.gz KYCUSDMWWDQWJA-ZDUSSCGKSA-N 1 3 325.457 1.308 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000648178297 452891879 /nfs/dbraw/zinc/89/18/79/452891879.db2.gz NJCZSRQVMBRCNL-QGZVFWFLSA-N 1 3 327.472 1.719 20 0 EDADHO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000650758812 452976129 /nfs/dbraw/zinc/97/61/29/452976129.db2.gz XZFUZRYRVNYYCS-CYBMUJFWSA-N 1 3 333.457 1.904 20 0 EDADHO [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)NC1CCN(C2CC2)CC1 ZINC000662306089 453027569 /nfs/dbraw/zinc/02/75/69/453027569.db2.gz XERQCODEJDGRKM-SFHVURJKSA-N 1 3 342.487 1.510 20 0 EDADHO CCCCOCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335907 453053329 /nfs/dbraw/zinc/05/33/29/453053329.db2.gz AYTPJUZZJCJDCR-INIZCTEOSA-N 1 3 335.496 1.815 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000664406103 453068578 /nfs/dbraw/zinc/06/85/78/453068578.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 1 3 339.528 1.040 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664410257 453073458 /nfs/dbraw/zinc/07/34/58/453073458.db2.gz UGDCMSNSQNNJHO-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662394783 453104263 /nfs/dbraw/zinc/10/42/63/453104263.db2.gz MWYOKMWYLCINNO-FZMZJTMJSA-N 1 3 331.338 1.353 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000662392873 453105259 /nfs/dbraw/zinc/10/52/59/453105259.db2.gz ZCGDARLCIVPLNO-SFHVURJKSA-N 1 3 332.492 1.703 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662406244 453118121 /nfs/dbraw/zinc/11/81/21/453118121.db2.gz DPWDFFXKQFCVGC-RBSFLKMASA-N 1 3 348.495 1.299 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000644195587 453122936 /nfs/dbraw/zinc/12/29/36/453122936.db2.gz WFZMEVHOOHKTHG-HNNXBMFYSA-N 1 3 332.448 1.381 20 0 EDADHO CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664575445 453209837 /nfs/dbraw/zinc/20/98/37/453209837.db2.gz BEXZBBZJWJBILI-ULQDDVLXSA-N 1 3 342.528 1.761 20 0 EDADHO CC(C)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664575445 453209839 /nfs/dbraw/zinc/20/98/39/453209839.db2.gz BEXZBBZJWJBILI-ULQDDVLXSA-N 1 3 342.528 1.761 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000664617452 453252823 /nfs/dbraw/zinc/25/28/23/453252823.db2.gz LWSVLFASTGVTRW-ARFHVFGLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H]1CCCOC1 ZINC000664617452 453252829 /nfs/dbraw/zinc/25/28/29/453252829.db2.gz LWSVLFASTGVTRW-ARFHVFGLSA-N 1 3 328.501 1.373 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666970238 453285659 /nfs/dbraw/zinc/28/56/59/453285659.db2.gz OMIWPJYWQNLXCC-KRWDZBQOSA-N 1 3 338.496 1.223 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000653120199 453311420 /nfs/dbraw/zinc/31/14/20/453311420.db2.gz JRJPNEPNJKYREP-HNNXBMFYSA-N 1 3 342.553 1.133 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653151710 453340346 /nfs/dbraw/zinc/34/03/46/453340346.db2.gz POHGKWZVPJONDH-WMZOPIPTSA-N 1 3 332.492 1.388 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000664717673 453344826 /nfs/dbraw/zinc/34/48/26/453344826.db2.gz RMNQKBJEESQGRP-GJZGRUSLSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000664717673 453344818 /nfs/dbraw/zinc/34/48/18/453344818.db2.gz RMNQKBJEESQGRP-GJZGRUSLSA-N 1 3 328.501 1.515 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000651197078 453351193 /nfs/dbraw/zinc/35/11/93/453351193.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 1 3 328.501 1.110 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000651197078 453351196 /nfs/dbraw/zinc/35/11/96/453351196.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 1 3 328.501 1.110 20 0 EDADHO NC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183697 453373672 /nfs/dbraw/zinc/37/36/72/453373672.db2.gz IMOPDKXAOICKKX-DKIMLUQUSA-N 1 3 349.450 1.613 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000658777598 453381211 /nfs/dbraw/zinc/38/12/11/453381211.db2.gz DGOYUJLWNZIZBJ-QGZVFWFLSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662686895 453409002 /nfs/dbraw/zinc/40/90/02/453409002.db2.gz BSUZMNFKGVSQQG-GJZGRUSLSA-N 1 3 331.460 1.909 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653221274 453410123 /nfs/dbraw/zinc/41/01/23/453410123.db2.gz PNYLPLFYGJZLDN-UHFFFAOYSA-N 1 3 330.476 1.687 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000662701217 453422400 /nfs/dbraw/zinc/42/24/00/453422400.db2.gz OOQNWIZEHITZMP-BZSNNMDCSA-N 1 3 331.460 1.612 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2c1CCNC2 ZINC000662736502 453463434 /nfs/dbraw/zinc/46/34/34/453463434.db2.gz HDXZJGKCMNKTFT-OAHLLOKOSA-N 1 3 343.471 1.563 20 0 EDADHO [NH3+]C1(CC(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000662759489 453498777 /nfs/dbraw/zinc/49/87/77/453498777.db2.gz YEFFGRJPPMZBKY-UHFFFAOYSA-N 1 3 330.476 1.586 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)n(C2CCN(C)CC2)n1 ZINC000655449423 453536254 /nfs/dbraw/zinc/53/62/54/453536254.db2.gz WWFCSVBQEPTPOC-MAUKXSAKSA-N 1 3 331.464 1.786 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cccc3c2CCNC3)C1 ZINC000662832381 453558594 /nfs/dbraw/zinc/55/85/94/453558594.db2.gz VOBKBDPARWMCNT-LZQZEXGQSA-N 1 3 343.471 1.833 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857582 453573360 /nfs/dbraw/zinc/57/33/60/453573360.db2.gz BKKQASGKVBEFGW-FUHWJXTLSA-N 1 3 331.460 1.259 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665234605 453618937 /nfs/dbraw/zinc/61/89/37/453618937.db2.gz GUCPFNIAXBJPIZ-LBPRGKRZSA-N 1 3 325.478 1.714 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973262 453631814 /nfs/dbraw/zinc/63/18/14/453631814.db2.gz XNELQNYXSHLFBL-QFBILLFUSA-N 1 3 337.508 1.757 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107244 453638980 /nfs/dbraw/zinc/63/89/80/453638980.db2.gz RNFIFGVNDKZREK-OAHLLOKOSA-N 1 3 334.464 1.485 20 0 EDADHO CN(CCC[NH3+])C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000659290874 453703916 /nfs/dbraw/zinc/70/39/16/453703916.db2.gz OXHAILSYNWJWAY-IBGZPJMESA-N 1 3 341.455 1.943 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351319 453724447 /nfs/dbraw/zinc/72/44/47/453724447.db2.gz CXTXNXHEFXQVCE-PMPSAXMXSA-N 1 3 337.464 1.483 20 0 EDADHO c1c([C@@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)[nH]nc1N1CCNCC1 ZINC000663512149 453813179 /nfs/dbraw/zinc/81/31/79/453813179.db2.gz MKFGQOIVSANYTC-JKSUJKDBSA-N 1 3 333.480 1.425 20 0 EDADHO c1c([C@@H]2CCC[N@H+](CC[C@H]3CCOC3)C2)[nH]nc1N1CCNCC1 ZINC000663512149 453813181 /nfs/dbraw/zinc/81/31/81/453813181.db2.gz MKFGQOIVSANYTC-JKSUJKDBSA-N 1 3 333.480 1.425 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CCN(C)CC1 ZINC000679994262 486691520 /nfs/dbraw/zinc/69/15/20/486691520.db2.gz QCHZCHIXTMWMEX-GDBMZVCRSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415635058 486758214 /nfs/dbraw/zinc/75/82/14/486758214.db2.gz AWAZCWDJNJGQJX-LSDHHAIUSA-N 1 3 332.448 1.381 20 0 EDADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1N ZINC000166563147 486867679 /nfs/dbraw/zinc/86/76/79/486867679.db2.gz OABPWFCRXAQMSZ-UHFFFAOYSA-N 1 3 330.476 1.866 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431007072 486901207 /nfs/dbraw/zinc/90/12/07/486901207.db2.gz SUYHBUPFKRWHQD-MOPGFXCFSA-N 1 3 344.503 1.568 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003977 /nfs/dbraw/zinc/00/39/77/487003977.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003982 /nfs/dbraw/zinc/00/39/82/487003982.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530942 487050147 /nfs/dbraw/zinc/05/01/47/487050147.db2.gz MRDYQFGDZSYSNI-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530942 487050153 /nfs/dbraw/zinc/05/01/53/487050153.db2.gz MRDYQFGDZSYSNI-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCCN(C)C2)CC1 ZINC000673875931 487143021 /nfs/dbraw/zinc/14/30/21/487143021.db2.gz HOVMVSZCTGNCSL-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000679764079 487464042 /nfs/dbraw/zinc/46/40/42/487464042.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000679764079 487464043 /nfs/dbraw/zinc/46/40/43/487464043.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669552612 485547436 /nfs/dbraw/zinc/54/74/36/485547436.db2.gz DXYNVEKQZRDFMP-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)COC3(C)C[NH2+]C3)c(C)c2)CC1 ZINC000328277479 486058783 /nfs/dbraw/zinc/05/87/83/486058783.db2.gz GMMRIEIHUWPBFQ-UHFFFAOYSA-N 1 3 346.475 1.454 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(OC)c1 ZINC000668899941 486321651 /nfs/dbraw/zinc/32/16/51/486321651.db2.gz QXQCUFZUMHRTAD-JTGQJZMRSA-N 1 3 334.464 1.892 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000134040770 491224362 /nfs/dbraw/zinc/22/43/62/491224362.db2.gz ZVNSRNYBDSABPS-QGZVFWFLSA-N 1 3 345.491 1.891 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000134040770 491224365 /nfs/dbraw/zinc/22/43/65/491224365.db2.gz ZVNSRNYBDSABPS-QGZVFWFLSA-N 1 3 345.491 1.891 20 0 EDADHO C[C@H](NCc1ccccc1S(=O)(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000130001209 491001888 /nfs/dbraw/zinc/00/18/88/491001888.db2.gz KCXLMUNJJOBSLZ-AWEZNQCLSA-N 1 3 339.505 1.757 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000073642718 491009009 /nfs/dbraw/zinc/00/90/09/491009009.db2.gz KNRHIFRZYINVAG-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788323 534012958 /nfs/dbraw/zinc/01/29/58/534012958.db2.gz FYBSIZMWMOUNKF-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178832546 534681608 /nfs/dbraw/zinc/68/16/08/534681608.db2.gz SPMGCFCKMXVWGZ-MRXNPFEDSA-N 1 3 331.460 1.259 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133095633 535441506 /nfs/dbraw/zinc/44/15/06/535441506.db2.gz SSDMVFBRHRNLGX-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CC[NH+]1CCC(NCCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000271661285 535474390 /nfs/dbraw/zinc/47/43/90/535474390.db2.gz DKIFBCCZPFQNSO-UHFFFAOYSA-N 1 3 341.477 1.511 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000348083445 535513672 /nfs/dbraw/zinc/51/36/72/535513672.db2.gz YHHFGOKUIMNINE-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288757 535595721 /nfs/dbraw/zinc/59/57/21/535595721.db2.gz CEBVGICBLBZXHB-JKSUJKDBSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288757 535595726 /nfs/dbraw/zinc/59/57/26/535595726.db2.gz CEBVGICBLBZXHB-JKSUJKDBSA-N 1 3 342.553 1.940 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290011 535705238 /nfs/dbraw/zinc/70/52/38/535705238.db2.gz KQTSAHRPUPFZTD-FUHWJXTLSA-N 1 3 332.492 1.119 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNCc2ncc(CN(C)C)s2)CC1 ZINC000352812803 535717434 /nfs/dbraw/zinc/71/74/34/535717434.db2.gz IIXLOTIISIHXOL-OAHLLOKOSA-N 1 3 339.553 1.568 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658710 535721071 /nfs/dbraw/zinc/72/10/71/535721071.db2.gz WAWSENTVISFAGZ-IRXDYDNUSA-N 1 3 330.476 1.890 20 0 EDADHO CCN1CCN(c2ccccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236991787 535753954 /nfs/dbraw/zinc/75/39/54/535753954.db2.gz KQKSQBMRLCMCAY-INIZCTEOSA-N 1 3 346.475 1.536 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)NCCN(C)C2CC2)CC1 ZINC000352729644 536750599 /nfs/dbraw/zinc/75/05/99/536750599.db2.gz AFLDMGFWBCWSFC-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO COc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227822 536755443 /nfs/dbraw/zinc/75/54/43/536755443.db2.gz WLXMHTMIOSBQNN-INIZCTEOSA-N 1 3 349.475 1.769 20 0 EDADHO C[C@H](O)c1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000741083294 579396582 /nfs/dbraw/zinc/39/65/82/579396582.db2.gz WWKIKPUBTNEFJJ-HNNXBMFYSA-N 1 3 336.480 1.375 20 0 EDADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1O[C@@H](C)C2 ZINC000728611553 578549472 /nfs/dbraw/zinc/54/94/72/578549472.db2.gz NZMMXYYELROALE-AWEZNQCLSA-N 1 3 349.475 1.584 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280484 578805141 /nfs/dbraw/zinc/80/51/41/578805141.db2.gz LMSKKZCPFODDRG-WBVHZDCISA-N 1 3 336.480 1.166 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734264519 578805363 /nfs/dbraw/zinc/80/53/63/578805363.db2.gz DISVQTGLZYDLJJ-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000745822580 579564467 /nfs/dbraw/zinc/56/44/67/579564467.db2.gz AVKAQDDETXPSNE-ROUUACIJSA-N 1 3 348.491 1.286 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=S)NCCC[NH+](C)C ZINC000746686036 579606586 /nfs/dbraw/zinc/60/65/86/579606586.db2.gz VTFAGASYOCIMQT-UHFFFAOYSA-N 1 3 338.521 1.543 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000748150449 579672177 /nfs/dbraw/zinc/67/21/77/579672177.db2.gz CWZLJPYYLBTCSO-HOTGVXAUSA-N 1 3 342.553 1.388 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000748150449 579672178 /nfs/dbraw/zinc/67/21/78/579672178.db2.gz CWZLJPYYLBTCSO-HOTGVXAUSA-N 1 3 342.553 1.388 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@H]1CCCN1CC ZINC000753961582 579892412 /nfs/dbraw/zinc/89/24/12/579892412.db2.gz AROPYXONIYWWRF-CABCVRRESA-N 1 3 330.542 1.292 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000764022992 580111604 /nfs/dbraw/zinc/11/16/04/580111604.db2.gz XZEUPURAWNQZJB-LJQANCHMSA-N 1 3 348.535 1.537 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774296175 580359007 /nfs/dbraw/zinc/35/90/07/580359007.db2.gz FNNKKNXBNJWSEB-UAGQMJEPSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774296175 580359008 /nfs/dbraw/zinc/35/90/08/580359008.db2.gz FNNKKNXBNJWSEB-UAGQMJEPSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854046 590656081 /nfs/dbraw/zinc/65/60/81/590656081.db2.gz ABHSZTXBTJYNBZ-WCXIOVBPSA-N 1 3 338.496 1.317 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857934 590658041 /nfs/dbraw/zinc/65/80/41/590658041.db2.gz HVSPRHMYCAZDIA-BNOWGMLFSA-N 1 3 348.413 1.782 20 0 EDADHO CSC1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CCN(C)CC1 ZINC000891907689 590682930 /nfs/dbraw/zinc/68/29/30/590682930.db2.gz SRQLKVLSYPKNKX-CJNGLKHVSA-N 1 3 326.510 1.398 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980439 590722236 /nfs/dbraw/zinc/72/22/36/590722236.db2.gz VIBYHTFXQDISSW-ZWKOTPCHSA-N 1 3 330.476 1.868 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000892040317 590766252 /nfs/dbraw/zinc/76/62/52/590766252.db2.gz KGAKHRUGGPGXAO-INIZCTEOSA-N 1 3 340.512 1.443 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000892077693 590788904 /nfs/dbraw/zinc/78/89/04/590788904.db2.gz KAWZWPQYVPIUAK-BPQIPLTHSA-N 1 3 330.476 1.867 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892087688 590791888 /nfs/dbraw/zinc/79/18/88/590791888.db2.gz HUYHBCLMWDRXKA-HOTGVXAUSA-N 1 3 326.485 1.256 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000890939398 590861013 /nfs/dbraw/zinc/86/10/13/590861013.db2.gz TYBITYWRDXZQSV-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000892229011 590874651 /nfs/dbraw/zinc/87/46/51/590874651.db2.gz LVQUKWTXIGJCNU-INIZCTEOSA-N 1 3 334.464 1.050 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000892234984 590879554 /nfs/dbraw/zinc/87/95/54/590879554.db2.gz BNHRAMRDCXZWGV-XJFOESAGSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620560 591013473 /nfs/dbraw/zinc/01/34/73/591013473.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 1 3 342.487 1.852 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CN1Cc1ccccc1 ZINC000893620560 591013478 /nfs/dbraw/zinc/01/34/78/591013478.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 1 3 342.487 1.852 20 0 EDADHO CCN(C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000891517178 591103124 /nfs/dbraw/zinc/10/31/24/591103124.db2.gz XTNHRDQBVBAOQF-KRWDZBQOSA-N 1 3 348.491 1.563 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536609 591113840 /nfs/dbraw/zinc/11/38/40/591113840.db2.gz DNCDKJVJUJQUQK-HNNXBMFYSA-N 1 3 326.485 1.400 20 0 EDADHO CCN1CC[C@@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000893872401 591123454 /nfs/dbraw/zinc/12/34/54/591123454.db2.gz KMGGMFLFBUBWKS-CGQZWFTASA-N 1 3 331.460 1.851 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876992 591125421 /nfs/dbraw/zinc/12/54/21/591125421.db2.gz DHGCYDXXIQLEOY-XWTMOSNGSA-N 1 3 328.460 1.635 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876992 591125423 /nfs/dbraw/zinc/12/54/23/591125423.db2.gz DHGCYDXXIQLEOY-XWTMOSNGSA-N 1 3 328.460 1.635 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000891623140 591154357 /nfs/dbraw/zinc/15/43/57/591154357.db2.gz MFVCEHYCNQCEIN-DLBZAZTESA-N 1 3 338.496 1.103 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@H]1OC ZINC000892757347 591162207 /nfs/dbraw/zinc/16/22/07/591162207.db2.gz INZPSKTYODZQLP-GUDVDZBRSA-N 1 3 348.491 1.376 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892797929 591181344 /nfs/dbraw/zinc/18/13/44/591181344.db2.gz UGOJPOCNUFBLFV-ATZDWAIDSA-N 1 3 342.487 1.969 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795305 591182456 /nfs/dbraw/zinc/18/24/56/591182456.db2.gz UQONPISHGJFEJX-MJGOQNOKSA-N 1 3 328.460 1.438 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795305 591182457 /nfs/dbraw/zinc/18/24/57/591182457.db2.gz UQONPISHGJFEJX-MJGOQNOKSA-N 1 3 328.460 1.438 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000892943110 591232722 /nfs/dbraw/zinc/23/27/22/591232722.db2.gz DHWIUIMOSJQIPX-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000898595844 591429069 /nfs/dbraw/zinc/42/90/69/591429069.db2.gz KURPLOXNFXFOJJ-UHFFFAOYSA-N 1 3 340.512 1.207 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000898595844 591429072 /nfs/dbraw/zinc/42/90/72/591429072.db2.gz KURPLOXNFXFOJJ-UHFFFAOYSA-N 1 3 340.512 1.207 20 0 EDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCCN2CCCCCC2)CC1 ZINC000894854259 591444588 /nfs/dbraw/zinc/44/45/88/591444588.db2.gz FBWXCXLUGLUVOR-IAGOWNOFSA-N 1 3 325.497 1.916 20 0 EDADHO CCOc1ccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000894896300 591463504 /nfs/dbraw/zinc/46/35/04/591463504.db2.gz UMFNCPBWDYZNGM-UHFFFAOYSA-N 1 3 337.464 1.565 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000894978168 591506678 /nfs/dbraw/zinc/50/66/78/591506678.db2.gz LGDYNFXSAGLSFX-UHFFFAOYSA-N 1 3 345.535 1.901 20 0 EDADHO CCN1CCC([N@H+]2CCCN(Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000894978168 591506680 /nfs/dbraw/zinc/50/66/80/591506680.db2.gz LGDYNFXSAGLSFX-UHFFFAOYSA-N 1 3 345.535 1.901 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000894978168 591506681 /nfs/dbraw/zinc/50/66/81/591506681.db2.gz LGDYNFXSAGLSFX-UHFFFAOYSA-N 1 3 345.535 1.901 20 0 EDADHO CCC[NH+]1CCC(NCC2(O)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000895207352 591657212 /nfs/dbraw/zinc/65/72/12/591657212.db2.gz JEEOJOVVZZDMRR-UHFFFAOYSA-N 1 3 327.469 1.432 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCN1CCC(OC)CC1 ZINC000751039160 591692968 /nfs/dbraw/zinc/69/29/68/591692968.db2.gz PBGPIEIFWNFQTP-CQSZACIVSA-N 1 3 328.526 1.046 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCN1CCC(OC)CC1 ZINC000751039160 591692970 /nfs/dbraw/zinc/69/29/70/591692970.db2.gz PBGPIEIFWNFQTP-CQSZACIVSA-N 1 3 328.526 1.046 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897101558 591739951 /nfs/dbraw/zinc/73/99/51/591739951.db2.gz ONVKCKIADFVGMA-INIZCTEOSA-N 1 3 337.508 1.581 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897101558 591739954 /nfs/dbraw/zinc/73/99/54/591739954.db2.gz ONVKCKIADFVGMA-INIZCTEOSA-N 1 3 337.508 1.581 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@H]2CCN2C2CCOCC2)CC1 ZINC000897229914 591779679 /nfs/dbraw/zinc/77/96/79/591779679.db2.gz YNWXJVVDGSHWRT-QGZVFWFLSA-N 1 3 325.497 1.065 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000897229914 591779680 /nfs/dbraw/zinc/77/96/80/591779680.db2.gz YNWXJVVDGSHWRT-QGZVFWFLSA-N 1 3 325.497 1.065 20 0 EDADHO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1CCCCCC1 ZINC000898118647 591788009 /nfs/dbraw/zinc/78/80/09/591788009.db2.gz QUWZLOODCBVYMO-INIZCTEOSA-N 1 3 337.508 1.604 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@]2(O)CCCN(C)C2)cc1 ZINC000900007749 591865605 /nfs/dbraw/zinc/86/56/05/591865605.db2.gz SDOWARSJXAKBKQ-FQEVSTJZSA-N 1 3 347.503 1.991 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157789 591920211 /nfs/dbraw/zinc/92/02/11/591920211.db2.gz ITRRBDFKRVFDOG-FQEVSTJZSA-N 1 3 345.487 1.745 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000900307946 591983015 /nfs/dbraw/zinc/98/30/15/591983015.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 1 3 336.524 1.393 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000900307946 591983017 /nfs/dbraw/zinc/98/30/17/591983017.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900338746 591989073 /nfs/dbraw/zinc/98/90/73/591989073.db2.gz GPCRQRFPPZOQOZ-OAHLLOKOSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900338746 591989074 /nfs/dbraw/zinc/98/90/74/591989074.db2.gz GPCRQRFPPZOQOZ-OAHLLOKOSA-N 1 3 335.496 1.685 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000900406222 592009698 /nfs/dbraw/zinc/00/96/98/592009698.db2.gz PBWXCDDHMPSTMQ-IEBWSBKVSA-N 1 3 333.476 1.561 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000900406222 592009701 /nfs/dbraw/zinc/00/97/01/592009701.db2.gz PBWXCDDHMPSTMQ-IEBWSBKVSA-N 1 3 333.476 1.561 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522777 592010349 /nfs/dbraw/zinc/01/03/49/592010349.db2.gz XWGJFMIMZFQZEN-GRYCIOLGSA-N 1 3 325.844 1.392 20 0 EDADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cn(C)nn1 ZINC000902783202 592062147 /nfs/dbraw/zinc/06/21/47/592062147.db2.gz AYALCCUCFBLGJS-HNNXBMFYSA-N 1 3 329.452 1.073 20 0 EDADHO Cc1cccc(NC(=O)CONC(=N)[C@H]2CN3CCC[C@H]3CO2)c1C ZINC000902811153 592068505 /nfs/dbraw/zinc/06/85/05/592068505.db2.gz LLHVRMYZPUVSQQ-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1cccc(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1C ZINC000902811153 592068508 /nfs/dbraw/zinc/06/85/08/592068508.db2.gz LLHVRMYZPUVSQQ-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1cccc(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1C ZINC000902811153 592068511 /nfs/dbraw/zinc/06/85/11/592068511.db2.gz LLHVRMYZPUVSQQ-GOEBONIOSA-N 1 3 346.431 1.604 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCO[C@]23CCOC3)(N2CCCCC2)CC1 ZINC000903104757 592120978 /nfs/dbraw/zinc/12/09/78/592120978.db2.gz XMLNBTHAWCMYOC-HKUYNNGSSA-N 1 3 337.508 1.474 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117108 592123651 /nfs/dbraw/zinc/12/36/51/592123651.db2.gz UNQRDVBYOVCOLD-DBDQLMEASA-N 1 3 332.492 1.867 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117108 592123652 /nfs/dbraw/zinc/12/36/52/592123652.db2.gz UNQRDVBYOVCOLD-DBDQLMEASA-N 1 3 332.492 1.867 20 0 EDADHO Cc1cccc(NCCNC(=O)CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000900862958 592150500 /nfs/dbraw/zinc/15/05/00/592150500.db2.gz JILPPCFPSKPAOX-UHFFFAOYSA-N 1 3 347.507 1.724 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484684 592177745 /nfs/dbraw/zinc/17/77/45/592177745.db2.gz VEBUJZNEBGMYTD-ROUUACIJSA-N 1 3 344.503 1.670 20 0 EDADHO C[C@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510240 592190626 /nfs/dbraw/zinc/19/06/26/592190626.db2.gz FJVURUFNFFLJLR-LZQZEXGQSA-N 1 3 342.487 1.914 20 0 EDADHO C[C@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510240 592190628 /nfs/dbraw/zinc/19/06/28/592190628.db2.gz FJVURUFNFFLJLR-LZQZEXGQSA-N 1 3 342.487 1.914 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@]2(O)CCCN(C)C2)CC1 ZINC000900979271 592191507 /nfs/dbraw/zinc/19/15/07/592191507.db2.gz SKDOQGHQECPLAY-IBGZPJMESA-N 1 3 339.524 1.708 20 0 EDADHO O=S(=O)(CCCN1CCCC1)NCCCCCC1CC[NH2+]CC1 ZINC000903562061 592210512 /nfs/dbraw/zinc/21/05/12/592210512.db2.gz WHCYVWYQGZKEDK-UHFFFAOYSA-N 1 3 345.553 1.952 20 0 EDADHO CCc1noc([C@@H]2CC[C@H](NCc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904428443 592253447 /nfs/dbraw/zinc/25/34/47/592253447.db2.gz LGFSVHTTZUGITA-HZSPNIEDSA-N 1 3 345.451 1.574 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906677382 592257654 /nfs/dbraw/zinc/25/76/54/592257654.db2.gz CRPJJOWFJZSXNE-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccccc3CN)CC2)CC1 ZINC000906682308 592263945 /nfs/dbraw/zinc/26/39/45/592263945.db2.gz OITHGMXURNYQKL-UHFFFAOYSA-N 1 3 344.459 1.418 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CCNCC4)o3)[C@@H]2C1 ZINC000904475181 592269629 /nfs/dbraw/zinc/26/96/29/592269629.db2.gz ZIRGLWOKQRANIG-XOUADPBQSA-N 1 3 333.432 1.367 20 0 EDADHO CN(Cc1ccccc1N1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732617 592287993 /nfs/dbraw/zinc/28/79/93/592287993.db2.gz FQJXXDWYHVSGPH-QUCCMNQESA-N 1 3 345.487 1.724 20 0 EDADHO Cc1ccccc1CN1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732963 592289378 /nfs/dbraw/zinc/28/93/78/592289378.db2.gz IMTGYOYYFFMJQC-PMACEKPBSA-N 1 3 329.488 1.881 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2CN)CC1 ZINC000904652094 592304191 /nfs/dbraw/zinc/30/41/91/592304191.db2.gz MCXGDKNODWVATF-AWEZNQCLSA-N 1 3 334.464 1.702 20 0 EDADHO CCC[C@@](C)(N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000904927695 592349815 /nfs/dbraw/zinc/34/98/15/592349815.db2.gz IHVYOEJDDYZBMW-DDUZABMNSA-N 1 3 337.439 1.914 20 0 EDADHO CCCNC(=O)[C@@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889644 592351345 /nfs/dbraw/zinc/35/13/45/592351345.db2.gz UUGZWUGSMRFVOT-HZPDHXFCSA-N 1 3 335.496 1.084 20 0 EDADHO FC(F)n1ccnc1CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889824 592351778 /nfs/dbraw/zinc/35/17/78/592351778.db2.gz VYTGRTYSKZGLPP-GOOCMWNKSA-N 1 3 339.434 1.926 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCCN(C[C@H]3CCCO3)CC2)cnn1C ZINC000903880079 592361110 /nfs/dbraw/zinc/36/11/10/592361110.db2.gz NYCPRMPGNFAICL-IEBWSBKVSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1nnc([C@@H]2CCCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898081 592369190 /nfs/dbraw/zinc/36/91/90/592369190.db2.gz IQSMZVCMDOXXRM-KGLIPLIRSA-N 1 3 330.440 1.009 20 0 EDADHO C[C@@](O)(C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(F)F ZINC000905079780 592388434 /nfs/dbraw/zinc/38/84/34/592388434.db2.gz IWOFTZHWCCIOPO-MRXNPFEDSA-N 1 3 328.407 1.199 20 0 EDADHO Cc1cc([C@@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903917422 592389183 /nfs/dbraw/zinc/38/91/83/592389183.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 1 3 330.480 1.757 20 0 EDADHO Cc1cc([C@@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917422 592389189 /nfs/dbraw/zinc/38/91/89/592389189.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 1 3 330.480 1.757 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000903947730 592393738 /nfs/dbraw/zinc/39/37/38/592393738.db2.gz GHVFJXOYZIABKA-FUHWJXTLSA-N 1 3 337.508 1.712 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000903947730 592393744 /nfs/dbraw/zinc/39/37/44/592393744.db2.gz GHVFJXOYZIABKA-FUHWJXTLSA-N 1 3 337.508 1.712 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986710 592406455 /nfs/dbraw/zinc/40/64/55/592406455.db2.gz PXJQNZNIEQRRBQ-UWWQBHOKSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986710 592406458 /nfs/dbraw/zinc/40/64/58/592406458.db2.gz PXJQNZNIEQRRBQ-UWWQBHOKSA-N 1 3 349.479 1.056 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986710 592406460 /nfs/dbraw/zinc/40/64/60/592406460.db2.gz PXJQNZNIEQRRBQ-UWWQBHOKSA-N 1 3 349.479 1.056 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905110243 592410761 /nfs/dbraw/zinc/41/07/61/592410761.db2.gz LHLGAQBWOUDKNE-KRWDZBQOSA-N 1 3 327.513 1.050 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000905178176 592456746 /nfs/dbraw/zinc/45/67/46/592456746.db2.gz ZXXGCNPVBJFXIK-BRWVUGGUSA-N 1 3 326.481 1.010 20 0 EDADHO C[NH+]1CCC2(CCC(NC(=O)[C@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000908489564 592516481 /nfs/dbraw/zinc/51/64/81/592516481.db2.gz GFSOEVSEPFXSRD-DLBZAZTESA-N 1 3 335.492 1.620 20 0 EDADHO C[C@H](NC(=O)C[C@]1(O)CCCN(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907288334 592585696 /nfs/dbraw/zinc/58/56/96/592585696.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 1 3 337.508 1.602 20 0 EDADHO C[C@H](NC(=O)C[C@]1(O)CCCN(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907288334 592585697 /nfs/dbraw/zinc/58/56/97/592585697.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 1 3 337.508 1.602 20 0 EDADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218837 592760737 /nfs/dbraw/zinc/76/07/37/592760737.db2.gz OEFLGSUESWOKTK-HOTGVXAUSA-N 1 3 331.464 1.047 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907951838 592854999 /nfs/dbraw/zinc/85/49/99/592854999.db2.gz APQLNPIPAXEPSG-QGZVFWFLSA-N 1 3 347.507 1.972 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000907951838 592855000 /nfs/dbraw/zinc/85/50/00/592855000.db2.gz APQLNPIPAXEPSG-QGZVFWFLSA-N 1 3 347.507 1.972 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)N(C)C ZINC000910860310 592897593 /nfs/dbraw/zinc/89/75/93/592897593.db2.gz AYOXBILOFKIFOT-QGZVFWFLSA-N 1 3 327.513 1.514 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1)N(C)C ZINC000910860310 592897594 /nfs/dbraw/zinc/89/75/94/592897594.db2.gz AYOXBILOFKIFOT-QGZVFWFLSA-N 1 3 327.513 1.514 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911804095 593013607 /nfs/dbraw/zinc/01/36/07/593013607.db2.gz ZQUMDCFGUUCCIP-NJGYHNCTSA-N 1 3 331.460 1.884 20 0 EDADHO CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000912401013 593093257 /nfs/dbraw/zinc/09/32/57/593093257.db2.gz IAKLKKUMPMVUNL-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)CN2CCCC2)CC1 ZINC000821452800 593838715 /nfs/dbraw/zinc/83/87/15/593838715.db2.gz HRZVADVEVHKXHA-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)CN2CCCC2)CC1 ZINC000821452800 593838718 /nfs/dbraw/zinc/83/87/18/593838718.db2.gz HRZVADVEVHKXHA-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822950758 594127434 /nfs/dbraw/zinc/12/74/34/594127434.db2.gz AOEXIPRFWXEMCZ-CQSZACIVSA-N 1 3 342.447 1.426 20 0 EDADHO C[C@H]([NH3+])CCc1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951507 594127850 /nfs/dbraw/zinc/12/78/50/594127850.db2.gz SXIQTGOUJKBKLB-ZDUSSCGKSA-N 1 3 330.436 1.553 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000826907505 594599707 /nfs/dbraw/zinc/59/97/07/594599707.db2.gz QEYDQDLHZLKELN-OALUTQOASA-N 1 3 344.503 1.609 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831411708 594626138 /nfs/dbraw/zinc/62/61/38/594626138.db2.gz FOBKLSRLMWCKKT-MRXNPFEDSA-N 1 3 325.403 1.982 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326289 594885319 /nfs/dbraw/zinc/88/53/19/594885319.db2.gz UVAAPAXUTSHJCT-KBPBESRZSA-N 1 3 348.422 1.456 20 0 EDADHO [NH3+]CCN(CCO)C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000841819720 594957969 /nfs/dbraw/zinc/95/79/69/594957969.db2.gz DQKQRSKLIHZWEO-QGZVFWFLSA-N 1 3 334.464 1.176 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000844170960 595290397 /nfs/dbraw/zinc/29/03/97/595290397.db2.gz VPVCQZCSDSMPHU-QZTJIDSGSA-N 1 3 331.460 1.708 20 0 EDADHO C[NH+](C)CCOc1cccc(-c2noc(C[C@H]3CNCCO3)n2)c1 ZINC000843186524 595301258 /nfs/dbraw/zinc/30/12/58/595301258.db2.gz YYYBNYIEPUDKJF-HNNXBMFYSA-N 1 3 332.404 1.208 20 0 EDADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219589 595305203 /nfs/dbraw/zinc/30/52/03/595305203.db2.gz LRSOQJUOBZHXGA-OAHLLOKOSA-N 1 3 332.448 1.132 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848414188 595375294 /nfs/dbraw/zinc/37/52/94/595375294.db2.gz MDQUAQITAUKHMC-PKOBYXMFSA-N 1 3 331.460 1.980 20 0 EDADHO Cc1nccn1-c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000848520853 595402155 /nfs/dbraw/zinc/40/21/55/595402155.db2.gz LHRVINONMPULMC-GOSISDBHSA-N 1 3 341.459 1.919 20 0 EDADHO FC(F)(F)COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000848599950 595415445 /nfs/dbraw/zinc/41/54/45/595415445.db2.gz UTDSNGFPKJNVPP-UHFFFAOYSA-N 1 3 330.354 1.993 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000847553518 595446018 /nfs/dbraw/zinc/44/60/18/595446018.db2.gz SKYFXZRLRJXMOE-UHFFFAOYSA-N 1 3 347.507 1.972 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018783 595475047 /nfs/dbraw/zinc/47/50/47/595475047.db2.gz ADUCXAFVXCFWSW-CQSZACIVSA-N 1 3 339.484 1.452 20 0 EDADHO [NH2+]=C(NC[C@@H](O)C(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849059406 595476463 /nfs/dbraw/zinc/47/64/63/595476463.db2.gz SMDSZDWXEPBURJ-CQSZACIVSA-N 1 3 344.381 1.688 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]cc1Br ZINC000849099136 595481757 /nfs/dbraw/zinc/48/17/57/595481757.db2.gz NFPXRLCAVNWYMO-VIFPVBQESA-N 1 3 329.246 1.270 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC2=[NH+]CCCN2C)CC1 ZINC000849110939 595483637 /nfs/dbraw/zinc/48/36/37/595483637.db2.gz PKSGXYRJWKBDAZ-UHFFFAOYSA-N 1 3 329.492 1.605 20 0 EDADHO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cccc2c1CCNC2 ZINC000852875677 595593194 /nfs/dbraw/zinc/59/31/94/595593194.db2.gz NCGDCOOOBAALES-UHFFFAOYSA-N 1 3 325.416 1.706 20 0 EDADHO NC[C@@H]1CC(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)=NO1 ZINC000852879220 595595091 /nfs/dbraw/zinc/59/50/91/595595091.db2.gz SMIXBKILGKEMRN-RYRKJORJSA-N 1 3 344.459 1.289 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000855346764 595681753 /nfs/dbraw/zinc/68/17/53/595681753.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 1 3 344.519 1.587 20 0 EDADHO COc1ccc2c(c1)CC[C@@H]2C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000859223471 596008978 /nfs/dbraw/zinc/00/89/78/596008978.db2.gz YILPALLBDNCQGE-SFHVURJKSA-N 1 3 333.476 1.677 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(F)c1F ZINC000856902567 596107508 /nfs/dbraw/zinc/10/75/08/596107508.db2.gz RUKMDKWQVFUDSX-NSHDSACASA-N 1 3 329.395 1.753 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccnc(F)c1F ZINC000856902567 596107512 /nfs/dbraw/zinc/10/75/12/596107512.db2.gz RUKMDKWQVFUDSX-NSHDSACASA-N 1 3 329.395 1.753 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000854641913 596146179 /nfs/dbraw/zinc/14/61/79/596146179.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 1 3 341.471 1.521 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000854641913 596146181 /nfs/dbraw/zinc/14/61/81/596146181.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 1 3 341.471 1.521 20 0 EDADHO O=C1NCCN1Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000866577089 596255862 /nfs/dbraw/zinc/25/58/62/596255862.db2.gz MVDJOCNEAUROST-UHFFFAOYSA-N 1 3 328.460 1.928 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCCCC2CCOCC2)C1 ZINC000866711515 596304833 /nfs/dbraw/zinc/30/48/33/596304833.db2.gz LWXSMUJCRXTWED-YESZJQIVSA-N 1 3 337.464 1.450 20 0 EDADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863541722 596613065 /nfs/dbraw/zinc/61/30/65/596613065.db2.gz AVXXKCOVOVQNSA-NSHDSACASA-N 1 3 336.404 1.570 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868362509 596802020 /nfs/dbraw/zinc/80/20/20/596802020.db2.gz ZYXAVGJDHGTXHF-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cccc3ncccc23)C1 ZINC000872146326 596810114 /nfs/dbraw/zinc/81/01/14/596810114.db2.gz LKRIRKLQACGGAJ-FHLIZLRMSA-N 1 3 338.411 1.602 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872145813 596810586 /nfs/dbraw/zinc/81/05/86/596810586.db2.gz ZLKAJJOZFZAUSS-UVLCOCDESA-N 1 3 335.448 1.201 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000872255422 596856728 /nfs/dbraw/zinc/85/67/28/596856728.db2.gz WOLMTFBYTOBUOE-RYQLBKOJSA-N 1 3 338.411 1.602 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000874170430 596950742 /nfs/dbraw/zinc/95/07/42/596950742.db2.gz MBGSACKLAFMNCB-RDJZCZTQSA-N 1 3 344.459 1.239 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874170430 596950744 /nfs/dbraw/zinc/95/07/44/596950744.db2.gz MBGSACKLAFMNCB-RDJZCZTQSA-N 1 3 344.459 1.239 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000874431587 597075635 /nfs/dbraw/zinc/07/56/35/597075635.db2.gz ACEAOJRKHXGXKV-GOSISDBHSA-N 1 3 330.476 1.873 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876202758 597133132 /nfs/dbraw/zinc/13/31/32/597133132.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 1 3 340.512 1.397 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000876202758 597133134 /nfs/dbraw/zinc/13/31/34/597133134.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 1 3 340.512 1.397 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873044080 597169246 /nfs/dbraw/zinc/16/92/46/597169246.db2.gz BINGKYQWLOCICP-MRXNPFEDSA-N 1 3 326.444 1.912 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNCc2cccc3ncccc23)C1 ZINC000873044080 597169248 /nfs/dbraw/zinc/16/92/48/597169248.db2.gz BINGKYQWLOCICP-MRXNPFEDSA-N 1 3 326.444 1.912 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2cccc3ncccc23)C1 ZINC000873044080 597169251 /nfs/dbraw/zinc/16/92/51/597169251.db2.gz BINGKYQWLOCICP-MRXNPFEDSA-N 1 3 326.444 1.912 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])ccc1CN(C)C ZINC000873111181 597199289 /nfs/dbraw/zinc/19/92/89/597199289.db2.gz HGQSBTIPQQGXCR-UHFFFAOYSA-N 1 3 348.491 1.973 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876765919 597330570 /nfs/dbraw/zinc/33/05/70/597330570.db2.gz WQIPQMKPBAZJBG-LSDHHAIUSA-N 1 3 343.512 1.802 20 0 EDADHO COC(=O)c1cccc2c(C[NH2+]CC3(O)CCN(C)CC3)ccnc12 ZINC000877061243 597424449 /nfs/dbraw/zinc/42/44/49/597424449.db2.gz BFDWSTONMSDODQ-UHFFFAOYSA-N 1 3 343.427 1.568 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000877244038 597476659 /nfs/dbraw/zinc/47/66/59/597476659.db2.gz XHNPMCOIAVFNCG-WOVMCDHWSA-N 1 3 330.476 1.684 20 0 EDADHO CCCn1ccnc1CCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878513180 597618928 /nfs/dbraw/zinc/61/89/28/597618928.db2.gz XEMGZXHOQWHBLE-UHFFFAOYSA-N 1 3 335.496 1.368 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CN1C1CC1 ZINC000883503985 597778385 /nfs/dbraw/zinc/77/83/85/597778385.db2.gz VBNQLMSEMFFKAH-ARFHVFGLSA-N 1 3 343.475 1.927 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](CN)OC ZINC000884405271 598095123 /nfs/dbraw/zinc/09/51/23/598095123.db2.gz MBESOAMABHVEGV-INIZCTEOSA-N 1 3 341.883 1.984 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738393454 598713657 /nfs/dbraw/zinc/71/36/57/598713657.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738393454 598713659 /nfs/dbraw/zinc/71/36/59/598713659.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738393454 598713661 /nfs/dbraw/zinc/71/36/61/598713661.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738393454 598713662 /nfs/dbraw/zinc/71/36/62/598713662.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 1 3 330.436 1.193 20 0 EDADHO Cn1nccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC000992829028 695388712 /nfs/dbraw/zinc/38/87/12/695388712.db2.gz CGBFEBHYFJJFLG-IAOVAPTHSA-N 1 3 342.447 1.103 20 0 EDADHO CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3CN4CC5CC4(C5)CO3)C2)C1 ZINC001031856950 700006947 /nfs/dbraw/zinc/00/69/47/700006947.db2.gz MLBJHWYFOPXWKO-RYZJOYRSSA-N 1 3 347.503 1.334 20 0 EDADHO C[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000915492381 695932621 /nfs/dbraw/zinc/93/26/21/695932621.db2.gz DRGOUEJGMBLZBS-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1(CO)CC1 ZINC000915493091 695933229 /nfs/dbraw/zinc/93/32/29/695933229.db2.gz PACNUEOJUFJEMK-CQSZACIVSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2sccc2CN(C)C)CCC[N@@H+]1CCO ZINC000993398796 696047500 /nfs/dbraw/zinc/04/75/00/696047500.db2.gz SNQSSUOVOFRGHC-JSGCOSHPSA-N 1 3 325.478 1.385 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2sccc2CN(C)C)CCC[N@H+]1CCO ZINC000993398796 696047502 /nfs/dbraw/zinc/04/75/02/696047502.db2.gz SNQSSUOVOFRGHC-JSGCOSHPSA-N 1 3 325.478 1.385 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001031682977 697507719 /nfs/dbraw/zinc/50/77/19/697507719.db2.gz GNWWZGQACDABOP-DNVCBOLYSA-N 1 3 345.487 1.626 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001031682977 697507720 /nfs/dbraw/zinc/50/77/20/697507720.db2.gz GNWWZGQACDABOP-DNVCBOLYSA-N 1 3 345.487 1.626 20 0 EDADHO C[C@@H](NC(=O)NC[C@@H]1CCN1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388949 697588051 /nfs/dbraw/zinc/58/80/51/697588051.db2.gz WVMQPIMGANLBMK-ZBFHGGJFSA-N 1 3 340.512 1.515 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000940124489 700258134 /nfs/dbraw/zinc/25/81/34/700258134.db2.gz FJUXREHXHNYSPX-DLBZAZTESA-N 1 3 335.492 1.620 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054365 699114926 /nfs/dbraw/zinc/11/49/26/699114926.db2.gz IJWRELVSDAMONB-SUMWQHHRSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055186 699116084 /nfs/dbraw/zinc/11/60/84/699116084.db2.gz VOVWFEVFTLUKQG-CRAIPNDOSA-N 1 3 330.476 1.668 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cncc(F)c1 ZINC000939543394 699684508 /nfs/dbraw/zinc/68/45/08/699684508.db2.gz CKCICVMNRPOGOZ-XJKSGUPXSA-N 1 3 332.423 1.253 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cncs1 ZINC000939808954 699957618 /nfs/dbraw/zinc/95/76/18/699957618.db2.gz HFTMPRZSQICEJR-GDBMZVCRSA-N 1 3 336.505 1.956 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1)[NH+](C)C ZINC000940164691 700299595 /nfs/dbraw/zinc/29/95/95/700299595.db2.gz UWSRYEOIGWQENN-INIZCTEOSA-N 1 3 335.496 1.477 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000940176767 700309241 /nfs/dbraw/zinc/30/92/41/700309241.db2.gz OKMSNNVSIYJXKK-HUUCEWRRSA-N 1 3 348.495 1.076 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)nc2)CC1)N(C)C ZINC000940334817 700514881 /nfs/dbraw/zinc/51/48/81/700514881.db2.gz PNZVZPUXCHRARI-INIZCTEOSA-N 1 3 348.491 1.901 20 0 EDADHO CCn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082814 700726995 /nfs/dbraw/zinc/72/69/95/700726995.db2.gz ZTRAPSQKFRWGRA-WBVHZDCISA-N 1 3 347.507 1.619 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748274 700873940 /nfs/dbraw/zinc/87/39/40/700873940.db2.gz WXWYODKRERPATK-CVEARBPZSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748274 700873942 /nfs/dbraw/zinc/87/39/42/700873942.db2.gz WXWYODKRERPATK-CVEARBPZSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976814 /nfs/dbraw/zinc/97/68/14/700976814.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 1 3 349.519 1.722 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976815 /nfs/dbraw/zinc/97/68/15/700976815.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 1 3 349.519 1.722 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001031919053 701041041 /nfs/dbraw/zinc/04/10/41/701041041.db2.gz LTJOQKSGBLDKRN-ZWKOTPCHSA-N 1 3 337.508 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(C[C@H]3CCCCO3)C2)C1 ZINC001031919053 701041042 /nfs/dbraw/zinc/04/10/42/701041042.db2.gz LTJOQKSGBLDKRN-ZWKOTPCHSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941076287 701103981 /nfs/dbraw/zinc/10/39/81/701103981.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941076287 701103982 /nfs/dbraw/zinc/10/39/82/701103982.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 1 3 339.524 1.848 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941185705 701390481 /nfs/dbraw/zinc/39/04/81/701390481.db2.gz APIMTISTTVWBBW-RDJZCZTQSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC1(C)C ZINC000941185705 701390483 /nfs/dbraw/zinc/39/04/83/701390483.db2.gz APIMTISTTVWBBW-RDJZCZTQSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1nocc1CN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214846 701401303 /nfs/dbraw/zinc/40/13/03/701401303.db2.gz FABYYIJDWFLPDZ-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032206024 702122143 /nfs/dbraw/zinc/12/21/43/702122143.db2.gz PRHPEWUJXXBWGX-AEFFLSMTSA-N 1 3 337.508 1.726 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CCC1 ZINC000995886202 702222548 /nfs/dbraw/zinc/22/25/48/702222548.db2.gz KHJAJRVRWPUAIB-OAHLLOKOSA-N 1 3 333.480 1.194 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)N(C)C ZINC000995945177 702290822 /nfs/dbraw/zinc/29/08/22/702290822.db2.gz DNCUKIDWSJTOBS-CVEARBPZSA-N 1 3 348.491 1.757 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996139404 702568195 /nfs/dbraw/zinc/56/81/95/702568195.db2.gz YNDZPEZYTUHLLY-INIZCTEOSA-N 1 3 347.507 1.621 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996354947 702732771 /nfs/dbraw/zinc/73/27/71/702732771.db2.gz JZBFMNVNAIARCV-HOTGVXAUSA-N 1 3 334.464 1.738 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC000996477781 702809583 /nfs/dbraw/zinc/80/95/83/702809583.db2.gz OSKVNNLTAZNAGK-CRAIPNDOSA-N 1 3 345.491 1.375 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)n1 ZINC000996477781 702809585 /nfs/dbraw/zinc/80/95/85/702809585.db2.gz OSKVNNLTAZNAGK-CRAIPNDOSA-N 1 3 345.491 1.375 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996520574 702856481 /nfs/dbraw/zinc/85/64/81/702856481.db2.gz SQXFQWVTWXHKIT-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996520574 702856483 /nfs/dbraw/zinc/85/64/83/702856483.db2.gz SQXFQWVTWXHKIT-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)s1 ZINC000996522120 702857870 /nfs/dbraw/zinc/85/78/70/702857870.db2.gz VZUKWEZGDLYILT-HNNXBMFYSA-N 1 3 348.516 1.874 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nn1C ZINC000996560480 702878626 /nfs/dbraw/zinc/87/86/26/702878626.db2.gz IKYAVJSJPUYAOJ-GOSISDBHSA-N 1 3 345.491 1.151 20 0 EDADHO C[C@H](NC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1cnccn1 ZINC000996560521 702879181 /nfs/dbraw/zinc/87/91/81/702879181.db2.gz IYZRGPVVXSYJIY-YOEHRIQHSA-N 1 3 343.475 1.460 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccn3CC)CC2)CC[N@@H+]1C ZINC000996604265 702913889 /nfs/dbraw/zinc/91/38/89/702913889.db2.gz UGTAOQYKVNAJBW-DLBZAZTESA-N 1 3 347.507 1.714 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccn3CC)CC2)CC[N@H+]1C ZINC000996604265 702913890 /nfs/dbraw/zinc/91/38/90/702913890.db2.gz UGTAOQYKVNAJBW-DLBZAZTESA-N 1 3 347.507 1.714 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)CC[N@@H+]1C ZINC000996610140 702921092 /nfs/dbraw/zinc/92/10/92/702921092.db2.gz YUGDWLCRRIDPAX-RDTXWAMCSA-N 1 3 345.491 1.250 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)CC[N@H+]1C ZINC000996610140 702921093 /nfs/dbraw/zinc/92/10/93/702921093.db2.gz YUGDWLCRRIDPAX-RDTXWAMCSA-N 1 3 345.491 1.250 20 0 EDADHO Cc1cncc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619051 702925531 /nfs/dbraw/zinc/92/55/31/702925531.db2.gz YIHCUHWVZBCKAJ-IRXDYDNUSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cncc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619051 702925532 /nfs/dbraw/zinc/92/55/32/702925532.db2.gz YIHCUHWVZBCKAJ-IRXDYDNUSA-N 1 3 330.476 1.668 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000996678458 702977128 /nfs/dbraw/zinc/97/71/28/702977128.db2.gz NTWZSKKSDKUVQU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)nn1C ZINC000996723310 703018351 /nfs/dbraw/zinc/01/83/51/703018351.db2.gz LGOSTGVDXYAMNY-QGZVFWFLSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1nonc1C[NH2+]C1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC000996766538 703058047 /nfs/dbraw/zinc/05/80/47/703058047.db2.gz GOYFFMBIJOCHNE-UHFFFAOYSA-N 1 3 340.387 1.420 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996854449 703132904 /nfs/dbraw/zinc/13/29/04/703132904.db2.gz CQQBDQVPKSBAAP-GOSISDBHSA-N 1 3 346.475 1.938 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996903019 703177649 /nfs/dbraw/zinc/17/76/49/703177649.db2.gz GKHCZYAMLFNUPK-INIZCTEOSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(NCc3ccn(C)n3)CC2)C1 ZINC000996903019 703177650 /nfs/dbraw/zinc/17/76/50/703177650.db2.gz GKHCZYAMLFNUPK-INIZCTEOSA-N 1 3 347.507 1.623 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951124 703216847 /nfs/dbraw/zinc/21/68/47/703216847.db2.gz BYMJIMRLRJHCQA-UHFFFAOYSA-N 1 3 333.480 1.325 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1 ZINC001032407392 703432898 /nfs/dbraw/zinc/43/28/98/703432898.db2.gz CJKAKRHTJKPDEY-GBESFXJTSA-N 1 3 347.503 1.430 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997185967 703474922 /nfs/dbraw/zinc/47/49/22/703474922.db2.gz UIKLZYSKQACQEP-HNNXBMFYSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997185967 703474925 /nfs/dbraw/zinc/47/49/25/703474925.db2.gz UIKLZYSKQACQEP-HNNXBMFYSA-N 1 3 333.480 1.151 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997367151 703601378 /nfs/dbraw/zinc/60/13/78/703601378.db2.gz WAQUWAMOSQCTEN-OAHLLOKOSA-N 1 3 337.493 1.493 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2cnns2)CC1 ZINC000997367151 703601380 /nfs/dbraw/zinc/60/13/80/703601380.db2.gz WAQUWAMOSQCTEN-OAHLLOKOSA-N 1 3 337.493 1.493 20 0 EDADHO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032444438 703621692 /nfs/dbraw/zinc/62/16/92/703621692.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 1 3 347.503 1.715 20 0 EDADHO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032444438 703621693 /nfs/dbraw/zinc/62/16/93/703621693.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 1 3 347.503 1.715 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001033093181 704170033 /nfs/dbraw/zinc/17/00/33/704170033.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 1 3 345.487 1.938 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOc3ccccc3)C2)CC[N@H+]1C ZINC001033093181 704170034 /nfs/dbraw/zinc/17/00/34/704170034.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 1 3 345.487 1.938 20 0 EDADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997866384 704772951 /nfs/dbraw/zinc/77/29/51/704772951.db2.gz SJOBQWZCNWQLFV-QGZVFWFLSA-N 1 3 348.495 1.111 20 0 EDADHO C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094953 705066585 /nfs/dbraw/zinc/06/65/85/705066585.db2.gz ZCHRSONJCMBIJX-CRAIPNDOSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945094953 705066588 /nfs/dbraw/zinc/06/65/88/705066588.db2.gz ZCHRSONJCMBIJX-CRAIPNDOSA-N 1 3 333.476 1.571 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(CNCc2ccn(C)n2)CC1)[NH+](C)C ZINC000998040203 705229138 /nfs/dbraw/zinc/22/91/38/705229138.db2.gz LVJSQNSYTVBZIF-QGZVFWFLSA-N 1 3 335.496 1.335 20 0 EDADHO Cc1nc(C)c(CNCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998078317 705299108 /nfs/dbraw/zinc/29/91/08/705299108.db2.gz LGUANWRWOHLLBM-DYVFJYSZSA-N 1 3 348.491 1.817 20 0 EDADHO Cc1nc(C)c(CNCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998078317 705299110 /nfs/dbraw/zinc/29/91/10/705299110.db2.gz LGUANWRWOHLLBM-DYVFJYSZSA-N 1 3 348.491 1.817 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000998136048 705400895 /nfs/dbraw/zinc/40/08/95/705400895.db2.gz MENCENKLKMEULC-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998284592 705679505 /nfs/dbraw/zinc/67/95/05/705679505.db2.gz FSSJTRYXXHLGIQ-HOTGVXAUSA-N 1 3 347.507 1.621 20 0 EDADHO C[NH+](C)CCNC(=O)c1cccc(CNCc2cc[nH]c(=O)c2)c1 ZINC000921669650 705982728 /nfs/dbraw/zinc/98/27/28/705982728.db2.gz DIUVGGRHMOLWKM-UHFFFAOYSA-N 1 3 328.416 1.368 20 0 EDADHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)n1 ZINC000998547962 705982784 /nfs/dbraw/zinc/98/27/84/705982784.db2.gz CZIQFOHJAKALSY-UYSNPLJNSA-N 1 3 332.448 1.263 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC(NCc2cncc(F)c2)C1 ZINC000998780311 706221643 /nfs/dbraw/zinc/22/16/43/706221643.db2.gz NIYJHUMIRFGKKQ-DAWZGUTISA-N 1 3 346.450 1.642 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2CC)C1 ZINC000998865014 706294856 /nfs/dbraw/zinc/29/48/56/706294856.db2.gz DSEULTUZUVDPFK-VMBOVVBDSA-N 1 3 348.495 1.251 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnnn2CC)C1 ZINC000998865014 706294859 /nfs/dbraw/zinc/29/48/59/706294859.db2.gz DSEULTUZUVDPFK-VMBOVVBDSA-N 1 3 348.495 1.251 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999344862 706856438 /nfs/dbraw/zinc/85/64/38/706856438.db2.gz UOPQXXTVHMGIOM-UHFFFAOYSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)n1 ZINC000999379554 706873390 /nfs/dbraw/zinc/87/33/90/706873390.db2.gz ZHYRUZIWWQKKPJ-ZWKOTPCHSA-N 1 3 347.507 1.421 20 0 EDADHO Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999405732 706914827 /nfs/dbraw/zinc/91/48/27/706914827.db2.gz GXJRJDOMDZJMQL-FAEJEUNOSA-N 1 3 330.476 1.953 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC000999409754 706919640 /nfs/dbraw/zinc/91/96/40/706919640.db2.gz SJPHYCOLEAKFEH-MNNVXMFVSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409842 706919781 /nfs/dbraw/zinc/91/97/81/706919781.db2.gz TZZXMJZXCNYFMP-ZLPCBKJTSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2scnc2C)C1)N(C)C ZINC000999488608 707024540 /nfs/dbraw/zinc/02/45/40/707024540.db2.gz GQVJTGUGFDCWMN-HUUCEWRRSA-N 1 3 338.521 1.915 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000999597742 707100585 /nfs/dbraw/zinc/10/05/85/707100585.db2.gz HPKPLWKYNVWFIU-UHFFFAOYSA-N 1 3 333.480 1.231 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681930 707167321 /nfs/dbraw/zinc/16/73/21/707167321.db2.gz LCJOAZUZIWPAIP-FHERZECASA-N 1 3 348.495 1.027 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999681930 707167322 /nfs/dbraw/zinc/16/73/22/707167322.db2.gz LCJOAZUZIWPAIP-FHERZECASA-N 1 3 348.495 1.027 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000999682628 707168346 /nfs/dbraw/zinc/16/83/46/707168346.db2.gz QVPVZTPSDRQCDY-UQPPLGOBSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999682628 707168347 /nfs/dbraw/zinc/16/83/47/707168347.db2.gz QVPVZTPSDRQCDY-UQPPLGOBSA-N 1 3 346.475 1.511 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001401198 708137926 /nfs/dbraw/zinc/13/79/26/708137926.db2.gz CKIRXUHFUZEJMH-DOTOQJQBSA-N 1 3 325.497 1.722 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001033576109 708251039 /nfs/dbraw/zinc/25/10/39/708251039.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 1 3 325.497 1.556 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001033576109 708251040 /nfs/dbraw/zinc/25/10/40/708251040.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 1 3 325.497 1.556 20 0 EDADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001033592368 708290712 /nfs/dbraw/zinc/29/07/12/708290712.db2.gz GBBBRJPONNZYDO-HZPDHXFCSA-N 1 3 335.492 1.430 20 0 EDADHO COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687214 708502778 /nfs/dbraw/zinc/50/27/78/708502778.db2.gz ZSAYHGYWNKOSFD-DOTOQJQBSA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687214 708502781 /nfs/dbraw/zinc/50/27/81/708502781.db2.gz ZSAYHGYWNKOSFD-DOTOQJQBSA-N 1 3 333.476 1.929 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906358 709036366 /nfs/dbraw/zinc/03/63/66/709036366.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906358 709036369 /nfs/dbraw/zinc/03/63/69/709036369.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC001033941576 709148246 /nfs/dbraw/zinc/14/82/46/709148246.db2.gz QBDUMXYRXMABDA-SFHVURJKSA-N 1 3 347.507 1.227 20 0 EDADHO CC(C)=CCN1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209690 709559501 /nfs/dbraw/zinc/55/95/01/709559501.db2.gz LAFVAIKGXJKLPR-QGZVFWFLSA-N 1 3 347.507 1.995 20 0 EDADHO Cc1noc(CCCN2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525690 710176229 /nfs/dbraw/zinc/17/62/29/710176229.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 1 3 349.479 1.233 20 0 EDADHO Cc1noc(CCCN2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525690 710176230 /nfs/dbraw/zinc/17/62/30/710176230.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 1 3 349.479 1.233 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034659696 710589131 /nfs/dbraw/zinc/58/91/31/710589131.db2.gz XZVXLYKYYGYHLI-BRWVUGGUSA-N 1 3 348.495 1.170 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)nn1C ZINC001034735721 710921986 /nfs/dbraw/zinc/92/19/86/710921986.db2.gz MXXLIZBDCOEPDN-XIRDDKMYSA-N 1 3 347.507 1.730 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738593 710954239 /nfs/dbraw/zinc/95/42/39/710954239.db2.gz ULEGIPCXSWYNRA-ZQDZILKHSA-N 1 3 336.505 1.858 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738593 710954244 /nfs/dbraw/zinc/95/42/44/710954244.db2.gz ULEGIPCXSWYNRA-ZQDZILKHSA-N 1 3 336.505 1.858 20 0 EDADHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001034881908 711282444 /nfs/dbraw/zinc/28/24/44/711282444.db2.gz PFPAJFSREMYZJM-AEFFLSMTSA-N 1 3 331.460 1.870 20 0 EDADHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cn1 ZINC001034957388 711429058 /nfs/dbraw/zinc/42/90/58/711429058.db2.gz RNNHFNFNVHZFND-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cn(C)nc2C)CC[N@@H+]1C ZINC001034940640 711444420 /nfs/dbraw/zinc/44/44/20/711444420.db2.gz AKANCVRDVGPGAV-FGTMMUONSA-N 1 3 347.507 1.539 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cn(C)nc2C)CC[N@H+]1C ZINC001034940640 711444423 /nfs/dbraw/zinc/44/44/23/711444423.db2.gz AKANCVRDVGPGAV-FGTMMUONSA-N 1 3 347.507 1.539 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CC[N@@H+]1C ZINC001034941223 711445773 /nfs/dbraw/zinc/44/57/73/711445773.db2.gz MZWLWOTUYIEATI-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccnn2C)CC[N@H+]1C ZINC001034941223 711445775 /nfs/dbraw/zinc/44/57/75/711445775.db2.gz MZWLWOTUYIEATI-IXDOHACOSA-N 1 3 333.480 1.231 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922395320 711451146 /nfs/dbraw/zinc/45/11/46/711451146.db2.gz VDBMNTDMTOIUHX-AKHDSKFASA-N 1 3 334.508 1.942 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922395320 711451149 /nfs/dbraw/zinc/45/11/49/711451149.db2.gz VDBMNTDMTOIUHX-AKHDSKFASA-N 1 3 334.508 1.942 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004617510 712077577 /nfs/dbraw/zinc/07/75/77/712077577.db2.gz QVGJEVCHTXEVAQ-MJGOQNOKSA-N 1 3 349.519 1.822 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004617510 712077579 /nfs/dbraw/zinc/07/75/79/712077579.db2.gz QVGJEVCHTXEVAQ-MJGOQNOKSA-N 1 3 349.519 1.822 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCCN3Cc3ccon3)CC2)C1 ZINC001004618525 712079154 /nfs/dbraw/zinc/07/91/54/712079154.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 1 3 346.475 1.829 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCCN3Cc3ccon3)CC2)C1 ZINC001004618525 712079155 /nfs/dbraw/zinc/07/91/55/712079155.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 1 3 346.475 1.829 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009554 297222970 /nfs/dbraw/zinc/22/29/70/297222970.db2.gz BAONBTUPUJLSDU-IAGOWNOFSA-N 1 3 326.529 1.306 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000105082499 282172729 /nfs/dbraw/zinc/17/27/29/282172729.db2.gz KEAAAEAPYMEDKQ-QZTJIDSGSA-N 1 3 332.492 1.895 20 0 EDADHO CCN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106218 /nfs/dbraw/zinc/10/62/18/305106218.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCC[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106219 /nfs/dbraw/zinc/10/62/19/305106219.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC(OCCCO)CC2)cc1 ZINC000093694161 539522795 /nfs/dbraw/zinc/52/27/95/539522795.db2.gz QWRFWSLEKZPZRJ-UHFFFAOYSA-N 1 3 336.476 1.990 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H](O)C3(C)C)CC2)CC1 ZINC000562285564 306294531 /nfs/dbraw/zinc/29/45/31/306294531.db2.gz KLXVPYYYSKKSCF-MRXNPFEDSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CN1Cc1ccccc1 ZINC000130755261 291075876 /nfs/dbraw/zinc/07/58/76/291075876.db2.gz KDXRLILJDSBKAJ-WDYCEAGBSA-N 1 3 348.491 1.261 20 0 EDADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785306 283160345 /nfs/dbraw/zinc/16/03/45/283160345.db2.gz RMHFMPNVWQLDKG-OALUTQOASA-N 1 3 327.472 1.931 20 0 EDADHO CCCCO[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796846 138132935 /nfs/dbraw/zinc/13/29/35/138132935.db2.gz IOYBTUAYBUFRAU-OAHLLOKOSA-N 1 3 325.497 1.866 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COc3ccccc3)CC2)CC1 ZINC000050802095 138132985 /nfs/dbraw/zinc/13/29/85/138132985.db2.gz BFHXZEDTDLCJLG-UHFFFAOYSA-N 1 3 331.460 1.740 20 0 EDADHO CN(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000077622386 138253529 /nfs/dbraw/zinc/25/35/29/138253529.db2.gz QDSSFBWYNMKZBV-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563582879 306339860 /nfs/dbraw/zinc/33/98/60/306339860.db2.gz KGYLOSJPCNRQNW-OAHLLOKOSA-N 1 3 325.416 1.706 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000563591279 306340459 /nfs/dbraw/zinc/34/04/59/306340459.db2.gz OTRZITQNPJJEJT-UHFFFAOYSA-N 1 3 346.475 1.711 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000563810224 306348151 /nfs/dbraw/zinc/34/81/51/306348151.db2.gz JSZHIBRAZQVSHD-OTWHNJEPSA-N 1 3 343.471 1.618 20 0 EDADHO CC(C)N1CCC([N@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637890194 452141028 /nfs/dbraw/zinc/14/10/28/452141028.db2.gz VUOBIXJVEJHPDI-UHFFFAOYSA-N 1 3 325.478 1.639 20 0 EDADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637890194 452141035 /nfs/dbraw/zinc/14/10/35/452141035.db2.gz VUOBIXJVEJHPDI-UHFFFAOYSA-N 1 3 325.478 1.639 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000564560224 306360601 /nfs/dbraw/zinc/36/06/01/306360601.db2.gz WVORYCMUHPILMV-AFAVFJNCSA-N 1 3 337.489 1.633 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCO1 ZINC000565352547 306381988 /nfs/dbraw/zinc/38/19/88/306381988.db2.gz CAPOPVHDRPBEOA-MSOLQXFVSA-N 1 3 346.475 1.410 20 0 EDADHO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000565351211 306382091 /nfs/dbraw/zinc/38/20/91/306382091.db2.gz XBRTVGPXYABFKS-KBXCAEBGSA-N 1 3 331.460 1.651 20 0 EDADHO CC[NH2+]CCCNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000565706122 306388983 /nfs/dbraw/zinc/38/89/83/306388983.db2.gz TVRKOTLSMZUWLV-UHFFFAOYSA-N 1 3 348.491 1.958 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020276 306396808 /nfs/dbraw/zinc/39/68/08/306396808.db2.gz KTONQMUSIDLDQX-ROUUACIJSA-N 1 3 344.503 1.975 20 0 EDADHO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000566059372 306397236 /nfs/dbraw/zinc/39/72/36/306397236.db2.gz UYWPRHYWZIHZKM-HOTGVXAUSA-N 1 3 340.512 1.023 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000414695031 304128319 /nfs/dbraw/zinc/12/83/19/304128319.db2.gz UKCPMGJGUDZEPV-OAHLLOKOSA-N 1 3 349.450 1.866 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414702915 304129753 /nfs/dbraw/zinc/12/97/53/304129753.db2.gz LCEAMTURZGWBOX-AWEZNQCLSA-N 1 3 344.459 1.261 20 0 EDADHO COCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1 ZINC000414705917 304130424 /nfs/dbraw/zinc/13/04/24/304130424.db2.gz OAQKWDOINKBQAJ-IRXDYDNUSA-N 1 3 333.476 1.893 20 0 EDADHO COCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1 ZINC000414705917 304130425 /nfs/dbraw/zinc/13/04/25/304130425.db2.gz OAQKWDOINKBQAJ-IRXDYDNUSA-N 1 3 333.476 1.893 20 0 EDADHO CC(C)CCOC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414711500 304131249 /nfs/dbraw/zinc/13/12/49/304131249.db2.gz UDFGUEBYIBQVRJ-MRXNPFEDSA-N 1 3 325.497 1.711 20 0 EDADHO CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414731673 304134209 /nfs/dbraw/zinc/13/42/09/304134209.db2.gz HRSWKDRQRZUQGD-HKUYNNGSSA-N 1 3 344.503 1.393 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765213 304138701 /nfs/dbraw/zinc/13/87/01/304138701.db2.gz ZNBBQLNWSDEELU-JKSUJKDBSA-N 1 3 348.466 1.770 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000415064553 304156136 /nfs/dbraw/zinc/15/61/36/304156136.db2.gz CVPSXVZHPMMGTP-AWEZNQCLSA-N 1 3 336.505 1.994 20 0 EDADHO COC(=O)c1cccc2c1CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000415094352 304158924 /nfs/dbraw/zinc/15/89/24/304158924.db2.gz JUYPZJRPOSBWIH-AWEZNQCLSA-N 1 3 345.443 1.029 20 0 EDADHO COC(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C2 ZINC000415094352 304158927 /nfs/dbraw/zinc/15/89/27/304158927.db2.gz JUYPZJRPOSBWIH-AWEZNQCLSA-N 1 3 345.443 1.029 20 0 EDADHO COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000415095987 304159483 /nfs/dbraw/zinc/15/94/83/304159483.db2.gz AGGCAKLNXGYSAL-MRXNPFEDSA-N 1 3 345.487 1.818 20 0 EDADHO COc1ccc(C(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000415106668 304160680 /nfs/dbraw/zinc/16/06/80/304160680.db2.gz OBZPILMSIDBINF-JKSUJKDBSA-N 1 3 331.460 1.841 20 0 EDADHO C[C@H](Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116780 304161467 /nfs/dbraw/zinc/16/14/67/304161467.db2.gz IERIYWBGZOYXBN-YQQAZPJKSA-N 1 3 330.476 1.794 20 0 EDADHO CCC[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000236943263 139035880 /nfs/dbraw/zinc/03/58/80/139035880.db2.gz RBSVJLAFWACRIS-GOSISDBHSA-N 1 3 332.492 1.438 20 0 EDADHO Cc1c(C(=O)Nc2cccc(CN(C)C)c2)nnn1C1CC[NH2+]CC1 ZINC000237074929 139039758 /nfs/dbraw/zinc/03/97/58/139039758.db2.gz MYRHFNBPVKPYSX-UHFFFAOYSA-N 1 3 342.447 1.825 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237501456 139052711 /nfs/dbraw/zinc/05/27/11/139052711.db2.gz MVDBUYIEIBTSCH-HZPDHXFCSA-N 1 3 325.497 1.772 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccn1 ZINC000080603658 217317958 /nfs/dbraw/zinc/31/79/58/217317958.db2.gz HQKYJSOULAMWDU-KRWDZBQOSA-N 1 3 333.480 1.639 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccn1 ZINC000080603658 217317962 /nfs/dbraw/zinc/31/79/62/217317962.db2.gz HQKYJSOULAMWDU-KRWDZBQOSA-N 1 3 333.480 1.639 20 0 EDADHO [NH3+]C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC000237740121 139059197 /nfs/dbraw/zinc/05/91/97/139059197.db2.gz JEOBVAYTQMXVBS-UHFFFAOYSA-N 1 3 344.503 1.977 20 0 EDADHO O=C1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C2CC2)N1 ZINC000568252740 306477158 /nfs/dbraw/zinc/47/71/58/306477158.db2.gz NZVODGXDNLSHAO-JSJNYSNDSA-N 1 3 341.455 1.889 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1CN(C)C ZINC000415460272 304223761 /nfs/dbraw/zinc/22/37/61/304223761.db2.gz YOUHMMGCACNUAG-CJNGLKHVSA-N 1 3 332.448 1.239 20 0 EDADHO Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262124857 139252961 /nfs/dbraw/zinc/25/29/61/139252961.db2.gz MVSNCMAZPIRLJN-IBGZPJMESA-N 1 3 339.487 1.969 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[C@@H]1c1cccs1 ZINC000262147743 139255127 /nfs/dbraw/zinc/25/51/27/139255127.db2.gz XHUYUQUJEATAAC-HGTKMLMNSA-N 1 3 337.489 1.754 20 0 EDADHO COC[C@]1(CNC(=O)Nc2ccccc2CCN(C)C)CCC[NH2+]1 ZINC000415559856 251013055 /nfs/dbraw/zinc/01/30/55/251013055.db2.gz FIHWELIYMNTBCI-GOSISDBHSA-N 1 3 334.464 1.681 20 0 EDADHO CN(CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873957 251113905 /nfs/dbraw/zinc/11/39/05/251113905.db2.gz OONUMXDTKPECKP-MSOLQXFVSA-N 1 3 330.476 1.759 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417015327 251132967 /nfs/dbraw/zinc/13/29/67/251132967.db2.gz FLSVQSIEFBYGQW-LJQANCHMSA-N 1 3 342.487 1.971 20 0 EDADHO C[C@@H](C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1)C1C[NH2+]C1 ZINC000262338687 139271433 /nfs/dbraw/zinc/27/14/33/139271433.db2.gz HRNRGFUPPUEFGU-CVEARBPZSA-N 1 3 345.487 1.858 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417549602 251186091 /nfs/dbraw/zinc/18/60/91/251186091.db2.gz UBLBRYKDHQULAR-HUUCEWRRSA-N 1 3 340.512 1.645 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753727 251256081 /nfs/dbraw/zinc/25/60/81/251256081.db2.gz UOQZJWDXGRVPRF-WMZOPIPTSA-N 1 3 347.507 1.259 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417813867 251280421 /nfs/dbraw/zinc/28/04/21/251280421.db2.gz AJSLJRHADIHZQR-RHSMWYFYSA-N 1 3 339.443 1.494 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417815185 251280637 /nfs/dbraw/zinc/28/06/37/251280637.db2.gz SMYIKPZIBSEFPC-UHFFFAOYSA-N 1 3 328.501 1.693 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418476982 251373695 /nfs/dbraw/zinc/37/36/95/251373695.db2.gz UHWSCBWRSYWSTB-PMPSAXMXSA-N 1 3 340.512 1.502 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262528957 139284505 /nfs/dbraw/zinc/28/45/05/139284505.db2.gz MOMWQYREHBBTIM-GJZGRUSLSA-N 1 3 346.475 1.112 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000418305502 251358681 /nfs/dbraw/zinc/35/86/81/251358681.db2.gz OISGEMBIGVSBQW-QGZVFWFLSA-N 1 3 333.480 1.014 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000418749680 251411207 /nfs/dbraw/zinc/41/12/07/251411207.db2.gz MPSVXGAQZREZOW-CQSZACIVSA-N 1 3 330.423 1.644 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262653109 139293438 /nfs/dbraw/zinc/29/34/38/139293438.db2.gz SDGFDHGGJUHSMN-WMZOPIPTSA-N 1 3 332.492 1.466 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000262694612 139296839 /nfs/dbraw/zinc/29/68/39/139296839.db2.gz CHLGMWCPORYVFX-HXUWFJFHSA-N 1 3 346.519 1.958 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739753 139300308 /nfs/dbraw/zinc/30/03/08/139300308.db2.gz JCSVJVMRNSSEDU-SJLPKXTDSA-N 1 3 341.459 1.840 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902655 252016505 /nfs/dbraw/zinc/01/65/05/252016505.db2.gz UXJHHJVNDTXOMY-MWQQHZPXSA-N 1 3 348.443 1.665 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902654 252017339 /nfs/dbraw/zinc/01/73/39/252017339.db2.gz UXJHHJVNDTXOMY-BSWAZPDLSA-N 1 3 348.443 1.665 20 0 EDADHO c1ccc(C[C@H](NCCCN2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423174669 252042035 /nfs/dbraw/zinc/04/20/35/252042035.db2.gz BUCZJIQPCDQFNG-IBGZPJMESA-N 1 3 325.460 1.645 20 0 EDADHO COC(=O)COc1ccccc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423181268 252043491 /nfs/dbraw/zinc/04/34/91/252043491.db2.gz JMMUHAALNSLAID-OAHLLOKOSA-N 1 3 335.448 1.184 20 0 EDADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000423949048 252107360 /nfs/dbraw/zinc/10/73/60/252107360.db2.gz GUOCUPDXHSQMOC-QGZVFWFLSA-N 1 3 332.492 1.688 20 0 EDADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218907 252166471 /nfs/dbraw/zinc/16/64/71/252166471.db2.gz XXIPKAFASOQUKR-PNYFIKQUSA-N 1 3 325.456 1.719 20 0 EDADHO Cn1nccc1N1CCC[C@@H](NCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425897993 252313922 /nfs/dbraw/zinc/31/39/22/252313922.db2.gz XBUKCZAGPZZSFQ-OAHLLOKOSA-N 1 3 344.463 1.634 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415623168 304240951 /nfs/dbraw/zinc/24/09/51/304240951.db2.gz FTQWLUZOONWZQR-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351884987 285020608 /nfs/dbraw/zinc/02/06/08/285020608.db2.gz CLERIEVWKYOWEW-NVXWUHKLSA-N 1 3 340.512 1.469 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856798 285034601 /nfs/dbraw/zinc/03/46/01/285034601.db2.gz UTFHJPQOJCYHFU-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058790 /nfs/dbraw/zinc/05/87/90/285058790.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058791 /nfs/dbraw/zinc/05/87/91/285058791.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415678033 304254620 /nfs/dbraw/zinc/25/46/20/304254620.db2.gz PUTQTSMDYHQNKJ-MRXNPFEDSA-N 1 3 346.475 1.581 20 0 EDADHO CC[N@H+](CCNC(=O)NCc1cccc(OCCN(C)C)c1)C1CC1 ZINC000263705117 139354115 /nfs/dbraw/zinc/35/41/15/139354115.db2.gz JCODOGDOODVRIF-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@@H+](CCNC(=O)NCc1cccc(OCCN(C)C)c1)C1CC1 ZINC000263705117 139354116 /nfs/dbraw/zinc/35/41/16/139354116.db2.gz JCODOGDOODVRIF-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487275036 255028424 /nfs/dbraw/zinc/02/84/24/255028424.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 1 3 330.476 1.731 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000487275036 255028426 /nfs/dbraw/zinc/02/84/26/255028426.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 1 3 330.476 1.731 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)C(C)(C)C ZINC000125577467 285243603 /nfs/dbraw/zinc/24/36/03/285243603.db2.gz VDRKJKIDBWNMHL-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)C(C)(C)C ZINC000125577467 285243604 /nfs/dbraw/zinc/24/36/04/285243604.db2.gz VDRKJKIDBWNMHL-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000249015596 285245761 /nfs/dbraw/zinc/24/57/61/285245761.db2.gz JHFLVELHHJSODI-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000249015596 285245765 /nfs/dbraw/zinc/24/57/65/285245765.db2.gz JHFLVELHHJSODI-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)c1sccc1CN(C)C ZINC000494837917 255263310 /nfs/dbraw/zinc/26/33/10/255263310.db2.gz MMXSXGIVTNXICD-UHFFFAOYSA-N 1 3 326.510 1.423 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)c1sccc1CN(C)C ZINC000494837917 255263311 /nfs/dbraw/zinc/26/33/11/255263311.db2.gz MMXSXGIVTNXICD-UHFFFAOYSA-N 1 3 326.510 1.423 20 0 EDADHO CN(C)Cc1ccsc1C(=O)NCCCN(C)CC[NH+](C)C ZINC000494837917 255263312 /nfs/dbraw/zinc/26/33/12/255263312.db2.gz MMXSXGIVTNXICD-UHFFFAOYSA-N 1 3 326.510 1.423 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N(C)C1CC1 ZINC000118127940 221127064 /nfs/dbraw/zinc/12/70/64/221127064.db2.gz QQOZXVGISVEFQZ-AWEZNQCLSA-N 1 3 346.475 1.328 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCS3)CC2)CC1 ZINC000119657411 221369417 /nfs/dbraw/zinc/36/94/17/221369417.db2.gz WJNKVIBVOHOTGI-INIZCTEOSA-N 1 3 340.537 1.740 20 0 EDADHO C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561427 533372086 /nfs/dbraw/zinc/37/20/86/533372086.db2.gz KZXIYRIETPDTGF-NUEKZKHPSA-N 1 3 331.464 1.709 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000331907237 141096408 /nfs/dbraw/zinc/09/64/08/141096408.db2.gz LMCFPKZAYAJIOV-NUJGCVRESA-N 1 3 336.480 1.065 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011888 /nfs/dbraw/zinc/01/18/88/142011888.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 1 3 348.491 1.699 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011889 /nfs/dbraw/zinc/01/18/89/142011889.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 1 3 348.491 1.699 20 0 EDADHO CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000339576301 142081801 /nfs/dbraw/zinc/08/18/01/142081801.db2.gz ZMPOJDYNLIMUIW-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345706284 143123585 /nfs/dbraw/zinc/12/35/85/143123585.db2.gz GXINTQAUDGWBBY-HUUCEWRRSA-N 1 3 325.403 1.650 20 0 EDADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000345706284 143123586 /nfs/dbraw/zinc/12/35/86/143123586.db2.gz GXINTQAUDGWBBY-HUUCEWRRSA-N 1 3 325.403 1.650 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000345737941 143127391 /nfs/dbraw/zinc/12/73/91/143127391.db2.gz FPPOWQMHPQMNHB-GJZGRUSLSA-N 1 3 326.485 1.004 20 0 EDADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000345747952 143128539 /nfs/dbraw/zinc/12/85/39/143128539.db2.gz BQLIQYLXKNKTAV-OAHLLOKOSA-N 1 3 341.402 1.242 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417549598 292168583 /nfs/dbraw/zinc/16/85/83/292168583.db2.gz UBLBRYKDHQULAR-GJZGRUSLSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000416843585 304351051 /nfs/dbraw/zinc/35/10/51/304351051.db2.gz PEFBCZMQJXMZCV-MAUKXSAKSA-N 1 3 332.492 1.928 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NCCN2CC[NH2+]CC2)N(C)C)cc1 ZINC000416848860 304351683 /nfs/dbraw/zinc/35/16/83/304351683.db2.gz XENHMSDEMIWUHS-GOSISDBHSA-N 1 3 347.507 1.056 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000416971935 304357707 /nfs/dbraw/zinc/35/77/07/304357707.db2.gz QXNJAUDBTOAXJP-SFHVURJKSA-N 1 3 334.464 1.507 20 0 EDADHO CCCN(C(=O)NCc1cccc(OCCN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000416972808 304358390 /nfs/dbraw/zinc/35/83/90/304358390.db2.gz HIJNKPWRYCXNQN-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000355176726 150154074 /nfs/dbraw/zinc/15/40/74/150154074.db2.gz VVMIMEJQNPLWLL-GASCZTMLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000355176726 150154077 /nfs/dbraw/zinc/15/40/77/150154077.db2.gz VVMIMEJQNPLWLL-GASCZTMLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000357404873 151021069 /nfs/dbraw/zinc/02/10/69/151021069.db2.gz KYJYRPXKJLUOJV-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357404873 151021070 /nfs/dbraw/zinc/02/10/70/151021070.db2.gz KYJYRPXKJLUOJV-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358227298 151311774 /nfs/dbraw/zinc/31/17/74/151311774.db2.gz DMYVWCLMPOCGKJ-MLGOLLRUSA-N 1 3 325.840 1.713 20 0 EDADHO C[C@H](CC(=O)Nc1cccc(Cl)c1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358227298 151311777 /nfs/dbraw/zinc/31/17/77/151311777.db2.gz DMYVWCLMPOCGKJ-MLGOLLRUSA-N 1 3 325.840 1.713 20 0 EDADHO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501439 151397169 /nfs/dbraw/zinc/39/71/69/151397169.db2.gz TUEDTMOJSRZPBA-CQSZACIVSA-N 1 3 345.443 1.860 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360742803 152180743 /nfs/dbraw/zinc/18/07/43/152180743.db2.gz AUSNUIATXKAVIJ-GDBMZVCRSA-N 1 3 328.526 1.549 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCSC1 ZINC000360745765 152182194 /nfs/dbraw/zinc/18/21/94/152182194.db2.gz NDJDNXYILYIISI-RDJZCZTQSA-N 1 3 342.553 1.940 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCSC1 ZINC000360745765 152182196 /nfs/dbraw/zinc/18/21/96/152182196.db2.gz NDJDNXYILYIISI-RDJZCZTQSA-N 1 3 342.553 1.940 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000360939603 152258120 /nfs/dbraw/zinc/25/81/20/152258120.db2.gz BNMUDCVMRGOJOX-IEBWSBKVSA-N 1 3 332.492 1.998 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417150831 304377925 /nfs/dbraw/zinc/37/79/25/304377925.db2.gz KOHJGEXTZQAHEV-QGZVFWFLSA-N 1 3 347.507 1.625 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000363798220 153059165 /nfs/dbraw/zinc/05/91/65/153059165.db2.gz BHNCXEQTUJUZBX-ATZDWAIDSA-N 1 3 327.472 1.965 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004170 153120388 /nfs/dbraw/zinc/12/03/88/153120388.db2.gz RZDPZWPCILLWCQ-FCEWJHQRSA-N 1 3 337.508 1.948 20 0 EDADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364655004 153295609 /nfs/dbraw/zinc/29/56/09/153295609.db2.gz SNJYJEQYRSYDQX-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO CN(CCNC(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000417231115 304386189 /nfs/dbraw/zinc/38/61/89/304386189.db2.gz MJKKRCFTUBWNPC-UHFFFAOYSA-N 1 3 330.476 1.904 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072471 154000624 /nfs/dbraw/zinc/00/06/24/154000624.db2.gz GLTYHLRHWNLWCZ-QZWWFDLISA-N 1 3 335.492 1.382 20 0 EDADHO CCCN1CCN(C2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000367672799 154223254 /nfs/dbraw/zinc/22/32/54/154223254.db2.gz ONHCCIVZWYBSBQ-SFHVURJKSA-N 1 3 338.540 1.199 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000368002527 154362713 /nfs/dbraw/zinc/36/27/13/154362713.db2.gz SBMXKSWVZNPZPI-INIZCTEOSA-N 1 3 332.448 1.332 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000368002527 154362716 /nfs/dbraw/zinc/36/27/16/154362716.db2.gz SBMXKSWVZNPZPI-INIZCTEOSA-N 1 3 332.448 1.332 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000574640600 306654857 /nfs/dbraw/zinc/65/48/57/306654857.db2.gz LRFTYXQJRSKHRD-NUJGCVRESA-N 1 3 337.508 1.866 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351798 304394155 /nfs/dbraw/zinc/39/41/55/304394155.db2.gz DNBVUBIEXSNFJF-SFHVURJKSA-N 1 3 348.491 1.667 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H]1C ZINC000417480417 304399181 /nfs/dbraw/zinc/39/91/81/304399181.db2.gz MLXMUDSMMWUQPR-HOTGVXAUSA-N 1 3 348.491 1.909 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)NCC[NH+](CC)CC)C1 ZINC000372035685 156218738 /nfs/dbraw/zinc/21/87/38/156218738.db2.gz DJWLRBZREWKRBS-UHFFFAOYSA-N 1 3 346.475 1.461 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204037 158107623 /nfs/dbraw/zinc/10/76/23/158107623.db2.gz KNDWCKAREVVARA-BRWVUGGUSA-N 1 3 325.497 1.901 20 0 EDADHO C[C@@H](NC(=O)NCc1ccnc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417952922 304437316 /nfs/dbraw/zinc/43/73/16/304437316.db2.gz OWDNSWJDANMYQC-GDBMZVCRSA-N 1 3 349.479 1.209 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CN2CCN1CCC2 ZINC000352148413 162013316 /nfs/dbraw/zinc/01/33/16/162013316.db2.gz LIDLKSBFMICCQT-RTBURBONSA-N 1 3 342.487 1.015 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CN2CCN1CCC2 ZINC000352148413 162013319 /nfs/dbraw/zinc/01/33/19/162013319.db2.gz LIDLKSBFMICCQT-RTBURBONSA-N 1 3 342.487 1.015 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000418173341 304459206 /nfs/dbraw/zinc/45/92/06/304459206.db2.gz SMHOKIZSKMQJLQ-OAHLLOKOSA-N 1 3 332.448 1.402 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000121998960 287376970 /nfs/dbraw/zinc/37/69/70/287376970.db2.gz PNCWOJNRDVVYLV-BBWFWOEESA-N 1 3 325.497 1.457 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CC3CC[NH2+]CC3)ccc2oc1=O ZINC000166618220 226164158 /nfs/dbraw/zinc/16/41/58/226164158.db2.gz IDYJNOQBKRJCCH-UHFFFAOYSA-N 1 3 346.431 1.484 20 0 EDADHO C[NH+](C)CCCC1CCN(CCn2nc3ccccn3c2=O)CC1 ZINC000123206869 222234959 /nfs/dbraw/zinc/23/49/59/222234959.db2.gz SUIUFMJURKVYKU-UHFFFAOYSA-N 1 3 331.464 1.550 20 0 EDADHO C[C@@H]1CN(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422789115 296941721 /nfs/dbraw/zinc/94/17/21/296941721.db2.gz AYKNLMIBZIYACK-CWQOZTLDSA-N 1 3 339.524 1.621 20 0 EDADHO CC[NH+](CC)CCOCCN(Cc1ccccc1)C[C@@H](O)COC ZINC000273111699 273029295 /nfs/dbraw/zinc/02/92/95/273029295.db2.gz XNRXLOUEKWZMQR-LJQANCHMSA-N 1 3 338.492 1.854 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000154884401 287651587 /nfs/dbraw/zinc/65/15/87/287651587.db2.gz NOGUCEDOBVLGIF-MRXNPFEDSA-N 1 3 348.491 1.688 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc3cncn3c2)CC1 ZINC000284332472 274164400 /nfs/dbraw/zinc/16/44/00/274164400.db2.gz LQTPGLIAJQYDPA-UHFFFAOYSA-N 1 3 329.448 1.338 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)c2ccc3cncn3c2)CC1 ZINC000284332472 274164405 /nfs/dbraw/zinc/16/44/05/274164405.db2.gz LQTPGLIAJQYDPA-UHFFFAOYSA-N 1 3 329.448 1.338 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000284591429 274256024 /nfs/dbraw/zinc/25/60/24/274256024.db2.gz MDXKKLSRARROKU-NZSAHSFTSA-N 1 3 345.487 1.544 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000284591429 274256025 /nfs/dbraw/zinc/25/60/25/274256025.db2.gz MDXKKLSRARROKU-NZSAHSFTSA-N 1 3 345.487 1.544 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000659860673 452742438 /nfs/dbraw/zinc/74/24/38/452742438.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 1 3 327.513 1.122 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000659860673 452742451 /nfs/dbraw/zinc/74/24/51/452742451.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 1 3 327.513 1.122 20 0 EDADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000659860673 452742460 /nfs/dbraw/zinc/74/24/60/452742460.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 1 3 327.513 1.122 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681326 276186803 /nfs/dbraw/zinc/18/68/03/276186803.db2.gz WVKIPLCOADVQHR-KRWDZBQOSA-N 1 3 333.480 1.583 20 0 EDADHO CC1CCN(CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000369776888 276195842 /nfs/dbraw/zinc/19/58/42/276195842.db2.gz DXQFVXUFXYZDPB-QZTJIDSGSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285963139 287902366 /nfs/dbraw/zinc/90/23/66/287902366.db2.gz GTEFDHNGUJCHEO-CQSZACIVSA-N 1 3 346.475 1.694 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000417647078 277286067 /nfs/dbraw/zinc/28/60/67/277286067.db2.gz DYALWVGJSJHMJP-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417800109 277679480 /nfs/dbraw/zinc/67/94/80/277679480.db2.gz BXSDFARXVHQOKM-RDJZCZTQSA-N 1 3 340.512 1.645 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038566 /nfs/dbraw/zinc/03/85/66/279038566.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038569 /nfs/dbraw/zinc/03/85/69/279038569.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417744182 279360666 /nfs/dbraw/zinc/36/06/66/279360666.db2.gz DPMPCMIKVLLAOB-ZACQAIPSSA-N 1 3 339.528 1.171 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417026103 279396662 /nfs/dbraw/zinc/39/66/62/279396662.db2.gz RWYWOHDEPCFDFP-WMZOPIPTSA-N 1 3 347.507 1.402 20 0 EDADHO CC(C)NC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304650 279560959 /nfs/dbraw/zinc/56/09/59/279560959.db2.gz MOXNHYDYVGBCRF-HZPDHXFCSA-N 1 3 325.497 1.722 20 0 EDADHO CN1CCC(NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000288986218 288607636 /nfs/dbraw/zinc/60/76/36/288607636.db2.gz YBWUVTJRKPKXLN-UHFFFAOYSA-N 1 3 349.479 1.306 20 0 EDADHO CO[C@@H](CN)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000290017528 288822243 /nfs/dbraw/zinc/82/22/43/288822243.db2.gz FCWXTQOMOFHQJS-SFHVURJKSA-N 1 3 349.475 1.148 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000291624711 289129315 /nfs/dbraw/zinc/12/93/15/289129315.db2.gz UGJLGAORUIEOBG-OAHLLOKOSA-N 1 3 336.480 1.872 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000291624711 289129317 /nfs/dbraw/zinc/12/93/17/289129317.db2.gz UGJLGAORUIEOBG-OAHLLOKOSA-N 1 3 336.480 1.872 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000337268873 289277194 /nfs/dbraw/zinc/27/71/94/289277194.db2.gz LBHUKCURDKITMJ-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1NCCc2ccccc21 ZINC000418646927 304524801 /nfs/dbraw/zinc/52/48/01/304524801.db2.gz XOBSMTLFOFJULK-QGZVFWFLSA-N 1 3 325.416 1.102 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H](N)c1ccccc1 ZINC000262774928 298024006 /nfs/dbraw/zinc/02/40/06/298024006.db2.gz KRBZEJMGDQVJQB-ZVZYQTTQSA-N 1 3 346.475 1.169 20 0 EDADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344013594 298109397 /nfs/dbraw/zinc/10/93/97/298109397.db2.gz CMDSDEGUOZSSOU-OKZBNKHCSA-N 1 3 340.556 1.980 20 0 EDADHO C[NH2+]CCC1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000420299945 304746097 /nfs/dbraw/zinc/74/60/97/304746097.db2.gz BYDXNXDUTSTLLT-LJQANCHMSA-N 1 3 346.519 1.727 20 0 EDADHO C[C@@H](N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)O ZINC000295136633 303177767 /nfs/dbraw/zinc/17/77/67/303177767.db2.gz KKHKUWBKUKHYEH-MRXNPFEDSA-N 1 3 347.503 1.990 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000296248809 303304841 /nfs/dbraw/zinc/30/48/41/303304841.db2.gz CVULMJYIIOLBDL-QGZVFWFLSA-N 1 3 344.503 1.846 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419676521 447338983 /nfs/dbraw/zinc/33/89/83/447338983.db2.gz MQLQOQNNEGRWOZ-IAGOWNOFSA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419676521 447338992 /nfs/dbraw/zinc/33/89/92/447338992.db2.gz MQLQOQNNEGRWOZ-IAGOWNOFSA-N 1 3 346.475 1.039 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414882939 447341744 /nfs/dbraw/zinc/34/17/44/447341744.db2.gz SOXVCVRVNRNMPQ-XJKSGUPXSA-N 1 3 332.448 1.635 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[NH2+]CC1CC1 ZINC000423752801 304908284 /nfs/dbraw/zinc/90/82/84/304908284.db2.gz WNYQIMXPIOQWFB-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424039338 304925911 /nfs/dbraw/zinc/92/59/11/304925911.db2.gz NPEGWNCTBWTRLV-CGTJXYLNSA-N 1 3 327.403 1.649 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000427151067 304985988 /nfs/dbraw/zinc/98/59/88/304985988.db2.gz BTZZYPUBNPOEDQ-GOSISDBHSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@@H]1C[C@@H]1N1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022227 /nfs/dbraw/zinc/02/22/27/305022227.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 1 3 339.524 1.119 20 0 EDADHO C[C@@H]1C[C@@H]1N1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022228 /nfs/dbraw/zinc/02/22/28/305022228.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 1 3 339.524 1.119 20 0 EDADHO CC(C)[C@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)N(C)C ZINC000429225866 305025900 /nfs/dbraw/zinc/02/59/00/305025900.db2.gz HYRDERTXVVJMMW-GOSISDBHSA-N 1 3 338.540 1.590 20 0 EDADHO [NH3+]CCCOC1CCN(CCc2nnnn2-c2ccccc2)CC1 ZINC000430588298 305057388 /nfs/dbraw/zinc/05/73/88/305057388.db2.gz CXQIKMKONDBKBS-UHFFFAOYSA-N 1 3 330.436 1.035 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCO[C@@H]2C)CC1 ZINC000433200367 305103058 /nfs/dbraw/zinc/10/30/58/305103058.db2.gz HPJLSUCLYTZJMN-VQIMIIECSA-N 1 3 333.476 1.458 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433458682 305109828 /nfs/dbraw/zinc/10/98/28/305109828.db2.gz IGWKKRMEIGODDN-INIZCTEOSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433458682 305109829 /nfs/dbraw/zinc/10/98/29/305109829.db2.gz IGWKKRMEIGODDN-INIZCTEOSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939209 305115212 /nfs/dbraw/zinc/11/52/12/305115212.db2.gz FMIGEKCLKNSOSA-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939209 305115213 /nfs/dbraw/zinc/11/52/13/305115213.db2.gz FMIGEKCLKNSOSA-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H]1NCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000434670620 305126936 /nfs/dbraw/zinc/12/69/36/305126936.db2.gz DAVGENBAWMFMOE-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO CCN(CC)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435565296 305142593 /nfs/dbraw/zinc/14/25/93/305142593.db2.gz GCVLIFACIAODLI-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC[C@@H](CC[NH3+])C1 ZINC000443067446 305234379 /nfs/dbraw/zinc/23/43/79/305234379.db2.gz GQRQCBYRZOSFSW-STQMWFEESA-N 1 3 336.411 1.923 20 0 EDADHO CN1CCN(c2ncc(CNCC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000446884505 305271318 /nfs/dbraw/zinc/27/13/18/305271318.db2.gz PJTDENQVVZQPSB-UHFFFAOYSA-N 1 3 344.507 1.192 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CN(C)CCN2C)CC1 ZINC000449144122 305307879 /nfs/dbraw/zinc/30/78/79/305307879.db2.gz YICGQWYYGZZXLJ-GHTZIAJQSA-N 1 3 344.547 1.917 20 0 EDADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000449144122 305307880 /nfs/dbraw/zinc/30/78/80/305307880.db2.gz YICGQWYYGZZXLJ-GHTZIAJQSA-N 1 3 344.547 1.917 20 0 EDADHO CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C4CC[NH2+]CC4)no3)[C@H]2C1 ZINC000425897267 447352968 /nfs/dbraw/zinc/35/29/68/447352968.db2.gz SNEYLGJABWMDMB-SZMVWBNQSA-N 1 3 346.475 1.878 20 0 EDADHO C[C@@H](CCc1cccn1C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524789444 305820038 /nfs/dbraw/zinc/82/00/38/305820038.db2.gz DZJMLNIBXNTBST-INIZCTEOSA-N 1 3 337.512 1.481 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419705527 447361555 /nfs/dbraw/zinc/36/15/55/447361555.db2.gz ZWHPGBWCUPQLNS-HZPDHXFCSA-N 1 3 340.512 1.247 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545176401 306081180 /nfs/dbraw/zinc/08/11/80/306081180.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 1 3 340.512 1.109 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545176401 306081181 /nfs/dbraw/zinc/08/11/81/306081181.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 1 3 340.512 1.109 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cnc4n3CCCC4)CC2)CC1 ZINC000556382480 306210637 /nfs/dbraw/zinc/21/06/37/306210637.db2.gz WUNSQUMQADWQGS-UHFFFAOYSA-N 1 3 345.491 1.508 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000556816872 306218362 /nfs/dbraw/zinc/21/83/62/306218362.db2.gz WLBNLSIJKYPFJK-UHFFFAOYSA-N 1 3 332.448 1.135 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000556942952 306221503 /nfs/dbraw/zinc/22/15/03/306221503.db2.gz BHKPRRZHBLGTSL-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO COC(=O)C1CCC([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)CC1 ZINC000426013716 447379618 /nfs/dbraw/zinc/37/96/18/447379618.db2.gz ANEJFGXOIPXIMJ-GPANFISMSA-N 1 3 341.496 1.400 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000426067511 447385054 /nfs/dbraw/zinc/38/50/54/447385054.db2.gz SBJIIYJEBRVLDJ-JYJNAYRXSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000426067511 447385057 /nfs/dbraw/zinc/38/50/57/447385057.db2.gz SBJIIYJEBRVLDJ-JYJNAYRXSA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)(CO)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415110900 447390161 /nfs/dbraw/zinc/39/01/61/447390161.db2.gz TUDWGVSXZIEOCT-YJBOKZPZSA-N 1 3 333.476 1.533 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccccc2)c1 ZINC000103211244 441176685 /nfs/dbraw/zinc/17/66/85/441176685.db2.gz ZXPUGMMNJBKBRC-UHFFFAOYSA-N 1 3 329.448 1.438 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)cn1 ZINC000103213079 441178298 /nfs/dbraw/zinc/17/82/98/441178298.db2.gz PZJOWCRTCOOFKW-UHFFFAOYSA-N 1 3 343.269 1.410 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000108541083 441461652 /nfs/dbraw/zinc/46/16/52/441461652.db2.gz FJRRXXYXNOKPLU-QZTJIDSGSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000108541083 441461653 /nfs/dbraw/zinc/46/16/53/441461653.db2.gz FJRRXXYXNOKPLU-QZTJIDSGSA-N 1 3 332.492 1.800 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000158251944 441711695 /nfs/dbraw/zinc/71/16/95/441711695.db2.gz ICWMKQJSOGHLSE-HXUWFJFHSA-N 1 3 346.519 1.997 20 0 EDADHO COCCN1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000140186630 441834407 /nfs/dbraw/zinc/83/44/07/441834407.db2.gz IQDBXAVGAGNUHH-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO CN1CCC(O)(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000077832608 441873970 /nfs/dbraw/zinc/87/39/70/441873970.db2.gz YTNLNSCDGJEBSC-CQSZACIVSA-N 1 3 328.501 1.109 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000120177226 442023227 /nfs/dbraw/zinc/02/32/27/442023227.db2.gz CUCHMCZWYGUCIR-UHFFFAOYSA-N 1 3 332.399 1.105 20 0 EDADHO CCOCCN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120235499 442034437 /nfs/dbraw/zinc/03/44/37/442034437.db2.gz SNQPFOUNSSHLQO-UHFFFAOYSA-N 1 3 325.497 1.727 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCC3=CCCOC3)c2)C1 ZINC000127159966 442176802 /nfs/dbraw/zinc/17/68/02/442176802.db2.gz NJYLFBKUNSJQAE-LJQANCHMSA-N 1 3 343.471 1.820 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCC3=CCCOC3)c2)C1 ZINC000127159966 442176806 /nfs/dbraw/zinc/17/68/06/442176806.db2.gz NJYLFBKUNSJQAE-LJQANCHMSA-N 1 3 343.471 1.820 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000168748914 442224653 /nfs/dbraw/zinc/22/46/53/442224653.db2.gz RHHASWWWFBIYRQ-INIZCTEOSA-N 1 3 344.459 1.450 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CSCCS3)CC2)CC1 ZINC000177061950 442292529 /nfs/dbraw/zinc/29/25/29/442292529.db2.gz GSKBPYXCXPNYDC-OAHLLOKOSA-N 1 3 343.562 1.510 20 0 EDADHO CC1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132396449 442392697 /nfs/dbraw/zinc/39/26/97/442392697.db2.gz QLMFOZXKYYASEF-CVEARBPZSA-N 1 3 341.496 1.678 20 0 EDADHO C[C@H]1CSCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000172374916 442451823 /nfs/dbraw/zinc/45/18/23/442451823.db2.gz LYRJIRRGEXFNIG-AWEZNQCLSA-N 1 3 340.537 1.692 20 0 EDADHO CC[C@]1(C(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000134584101 442497676 /nfs/dbraw/zinc/49/76/76/442497676.db2.gz UCIMCUOZQRNJQB-JTDSTZFVSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000134284325 442464151 /nfs/dbraw/zinc/46/41/51/442464151.db2.gz UWIJJLOZPBIHEN-OAHLLOKOSA-N 1 3 343.479 1.159 20 0 EDADHO c1csc(-c2noc(CN3CCN(CC4CC[NH2+]CC4)CC3)n2)c1 ZINC000178978454 442544124 /nfs/dbraw/zinc/54/41/24/442544124.db2.gz CILLSSPZQSWLQZ-UHFFFAOYSA-N 1 3 347.488 1.915 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCC(C)CC2)[C@H](C)C1 ZINC000187018958 442645739 /nfs/dbraw/zinc/64/57/39/442645739.db2.gz GCEHECPSDSBQGW-QZTJIDSGSA-N 1 3 339.524 1.972 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000181716795 442712087 /nfs/dbraw/zinc/71/20/87/442712087.db2.gz RZAXXZDRLGQDLS-IYBDPMFKSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@@H](C)C1 ZINC000246395865 442778917 /nfs/dbraw/zinc/77/89/17/442778917.db2.gz JPEBXSWDIRIZDJ-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(CCOC)CC2)[C@@H](C)C1 ZINC000246395865 442778920 /nfs/dbraw/zinc/77/89/20/442778920.db2.gz JPEBXSWDIRIZDJ-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188993637 442856782 /nfs/dbraw/zinc/85/67/82/442856782.db2.gz FQLLZDQEGXIIOQ-DOTOQJQBSA-N 1 3 334.439 1.847 20 0 EDADHO CN1CCN(CCCNC(=O)/C=C/C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000265682667 442878390 /nfs/dbraw/zinc/87/83/90/442878390.db2.gz WGLXMOKNPZYWPS-BQHJZSHBSA-N 1 3 344.503 1.599 20 0 EDADHO Cc1nn(C)c(CNCCCN(C)CC[NH+](C)C)c1Br ZINC000623087649 450398096 /nfs/dbraw/zinc/39/80/96/450398096.db2.gz AUAZTSCPLADWAN-UHFFFAOYSA-N 1 3 346.317 1.464 20 0 EDADHO CCNC(=O)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184754666 443072583 /nfs/dbraw/zinc/07/25/83/443072583.db2.gz ZFEUURKJHUWOSW-GJZGRUSLSA-N 1 3 346.475 1.578 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268793080 443109794 /nfs/dbraw/zinc/10/97/94/443109794.db2.gz CLUMAJTVYXMWSQ-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268793080 443109799 /nfs/dbraw/zinc/10/97/99/443109799.db2.gz CLUMAJTVYXMWSQ-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO CCN(CC)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000325173383 318944666 /nfs/dbraw/zinc/94/46/66/318944666.db2.gz WLNSESBHTZMNMK-MRXNPFEDSA-N 1 3 330.436 1.050 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262738538 443209264 /nfs/dbraw/zinc/20/92/64/443209264.db2.gz CJYATBIJQRGQHH-FUHWJXTLSA-N 1 3 325.497 1.900 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000411783167 319203345 /nfs/dbraw/zinc/20/33/45/319203345.db2.gz FKLMSGXPQYILFV-AEFFLSMTSA-N 1 3 327.513 1.466 20 0 EDADHO C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)N(C)C1CC1 ZINC000411988977 319219528 /nfs/dbraw/zinc/21/95/28/319219528.db2.gz WVWHQQMVLJTPQL-BBRMVZONSA-N 1 3 325.522 1.803 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413859953 319294969 /nfs/dbraw/zinc/29/49/69/319294969.db2.gz NSKXOZLOSNPVLH-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413859953 319294972 /nfs/dbraw/zinc/29/49/72/319294972.db2.gz NSKXOZLOSNPVLH-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414188394 319318288 /nfs/dbraw/zinc/31/82/88/319318288.db2.gz QQKBATOEXHMFCG-GJZGRUSLSA-N 1 3 339.505 1.977 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414188394 319318290 /nfs/dbraw/zinc/31/82/90/319318290.db2.gz QQKBATOEXHMFCG-GJZGRUSLSA-N 1 3 339.505 1.977 20 0 EDADHO COc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414663530 319338445 /nfs/dbraw/zinc/33/84/45/319338445.db2.gz BFKKAJOBMWVDCK-INIZCTEOSA-N 1 3 346.475 1.015 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671882 319339498 /nfs/dbraw/zinc/33/94/98/319339498.db2.gz GWUBIFZDIQJVIY-WBVHZDCISA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671882 319339500 /nfs/dbraw/zinc/33/95/00/319339500.db2.gz GWUBIFZDIQJVIY-WBVHZDCISA-N 1 3 333.501 1.974 20 0 EDADHO COc1cccc(CC(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414683853 319341628 /nfs/dbraw/zinc/34/16/28/319341628.db2.gz CBXVSNOXRQSYFM-FUHWJXTLSA-N 1 3 345.487 1.770 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415938271 319383667 /nfs/dbraw/zinc/38/36/67/319383667.db2.gz YREGHCZMFCXQNE-UHFFFAOYSA-N 1 3 347.507 1.944 20 0 EDADHO [NH3+]CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415996182 319388378 /nfs/dbraw/zinc/38/83/78/319388378.db2.gz OMPVPDUECBEMEB-KBPBESRZSA-N 1 3 344.381 1.840 20 0 EDADHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000416906099 319471480 /nfs/dbraw/zinc/47/14/80/319471480.db2.gz RYMRKJJLXBKGRA-ROUUACIJSA-N 1 3 346.475 1.052 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417369513 319494903 /nfs/dbraw/zinc/49/49/03/319494903.db2.gz SGHWOXHDLMODEB-RDJZCZTQSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418588256 319506992 /nfs/dbraw/zinc/50/69/92/319506992.db2.gz HPSNZGWDTALOMI-RHSMWYFYSA-N 1 3 336.455 1.897 20 0 EDADHO C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000272490579 443337752 /nfs/dbraw/zinc/33/77/52/443337752.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 1 3 345.487 1.468 20 0 EDADHO C[C@H](O)[C@@H]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000272490579 443337755 /nfs/dbraw/zinc/33/77/55/443337755.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 1 3 345.487 1.468 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)CC(N)=O)cc1OC ZINC000267293282 443408157 /nfs/dbraw/zinc/40/81/57/443408157.db2.gz YKUZDIMONZKQNE-CQSZACIVSA-N 1 3 337.464 1.769 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000423419718 319773701 /nfs/dbraw/zinc/77/37/01/319773701.db2.gz AMZFCSAAWCQTHQ-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000423762560 319812457 /nfs/dbraw/zinc/81/24/57/319812457.db2.gz SRUCRCMZWHNDQH-IRXDYDNUSA-N 1 3 332.492 1.998 20 0 EDADHO CN(CC1OCCO1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000272291184 443581923 /nfs/dbraw/zinc/58/19/23/443581923.db2.gz PEEVMJOBDDSPHT-SFHVURJKSA-N 1 3 334.460 1.737 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)CCCN2CCC([NH3+])CC2)N(C)C)cc1 ZINC000433163801 319973543 /nfs/dbraw/zinc/97/35/43/319973543.db2.gz PNVJKHCMOYCOCS-LJQANCHMSA-N 1 3 346.519 1.917 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[NH+](C)CC1 ZINC000454965487 320297684 /nfs/dbraw/zinc/29/76/84/320297684.db2.gz DUIVVANQHVBXKM-UONOGXRCSA-N 1 3 326.510 1.159 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457702132 320332322 /nfs/dbraw/zinc/33/23/22/320332322.db2.gz BJVVTRUBCUIESN-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596595 320337814 /nfs/dbraw/zinc/33/78/14/320337814.db2.gz OFPGSSHPCXRLOD-QGZVFWFLSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCOCC[NH+](C)C)CN1Cc1ccccc1 ZINC000471647402 320352995 /nfs/dbraw/zinc/35/29/95/320352995.db2.gz GVUFNHKQCSCHTM-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@H]1Oc2ccccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519044032 320462527 /nfs/dbraw/zinc/46/25/27/320462527.db2.gz XOZKSKGQALOFRK-PBHICJAKSA-N 1 3 334.464 1.643 20 0 EDADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000525453203 320490618 /nfs/dbraw/zinc/49/06/18/320490618.db2.gz SFINUNSYIIDXHA-KRWDZBQOSA-N 1 3 336.480 1.509 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000531357967 320656715 /nfs/dbraw/zinc/65/67/15/320656715.db2.gz XGEXLQXZOSUVGO-UHFFFAOYSA-N 1 3 348.422 1.645 20 0 EDADHO C[C@H]1CN(CCCC[NH2+]C2CCN(c3cnccn3)CC2)C[C@H](C)O1 ZINC000536858431 320732176 /nfs/dbraw/zinc/73/21/76/320732176.db2.gz PKXMZCYZBPDKDH-IRXDYDNUSA-N 1 3 347.507 1.924 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000540907944 320765178 /nfs/dbraw/zinc/76/51/78/320765178.db2.gz MRZSCSJQHPNEGS-NUJGCVRESA-N 1 3 337.508 1.819 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCN1C(=O)c3ccccc3C1=O)C2 ZINC000285466291 443995337 /nfs/dbraw/zinc/99/53/37/443995337.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 1 3 327.428 1.840 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCN1C(=O)c3ccccc3C1=O)C2 ZINC000285466291 443995342 /nfs/dbraw/zinc/99/53/42/443995342.db2.gz KBOLNDPKCMAJQS-YIONKMFJSA-N 1 3 327.428 1.840 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000556926208 320997331 /nfs/dbraw/zinc/99/73/31/320997331.db2.gz KNBOPHLTCOAYBY-OAHLLOKOSA-N 1 3 346.475 1.363 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000561188117 321035977 /nfs/dbraw/zinc/03/59/77/321035977.db2.gz IPWQHECRZBSDRP-NXHRZFHOSA-N 1 3 330.476 1.806 20 0 EDADHO Cc1nc2n(n1)C[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000562960766 321084073 /nfs/dbraw/zinc/08/40/73/321084073.db2.gz YJHKXYKNJYLPKD-ALKREAHSSA-N 1 3 339.443 1.747 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000565041616 321166032 /nfs/dbraw/zinc/16/60/32/321166032.db2.gz WLSHIUZXCYNXFG-GOSISDBHSA-N 1 3 330.476 1.016 20 0 EDADHO CN1CCN(CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000565998660 321209292 /nfs/dbraw/zinc/20/92/92/321209292.db2.gz HPAYIZCHZCTNEA-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)CN(C)C2CC2)cc1F ZINC000568574215 321296922 /nfs/dbraw/zinc/29/69/22/321296922.db2.gz HTKBUTLFNWVVJH-INIZCTEOSA-N 1 3 332.423 1.865 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000570029545 321334745 /nfs/dbraw/zinc/33/47/45/321334745.db2.gz DRRTZMXTPCYCEB-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CC(CCN1CCc2n[nH]cc2C1)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000299733264 444126936 /nfs/dbraw/zinc/12/69/36/444126936.db2.gz YKJNDKZCYZDZNI-UHFFFAOYSA-N 1 3 328.464 1.966 20 0 EDADHO CC(CCN1CCc2n[nH]cc2C1)CC[N@H+]1CCc2n[nH]cc2C1 ZINC000299733264 444126942 /nfs/dbraw/zinc/12/69/42/444126942.db2.gz YKJNDKZCYZDZNI-UHFFFAOYSA-N 1 3 328.464 1.966 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(C[C@@H](C)O)C2CCCCC2)CC1 ZINC000303973438 444238320 /nfs/dbraw/zinc/23/83/20/444238320.db2.gz GWLAFWFDCKLKJN-OAHLLOKOSA-N 1 3 325.497 1.602 20 0 EDADHO CCOC(=O)c1cc(C[NH2+]C2CCN(CCN(C)C)CC2)[nH]c1C ZINC000296580163 444240243 /nfs/dbraw/zinc/24/02/43/444240243.db2.gz WTXZXRQYFILSLF-UHFFFAOYSA-N 1 3 336.480 1.615 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000304221380 444243308 /nfs/dbraw/zinc/24/33/08/444243308.db2.gz IYDWFTZOMHLRMN-SFHVURJKSA-N 1 3 333.476 1.571 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000324696339 444356982 /nfs/dbraw/zinc/35/69/82/444356982.db2.gz WAXHGYRIQAZVKI-ROUUACIJSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255524 444374594 /nfs/dbraw/zinc/37/45/94/444374594.db2.gz HCPNCSDACMERSX-HACGYAERSA-N 1 3 337.489 1.784 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255524 444374597 /nfs/dbraw/zinc/37/45/97/444374597.db2.gz HCPNCSDACMERSX-HACGYAERSA-N 1 3 337.489 1.784 20 0 EDADHO O=C(NCCN1CCCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579567859 321948246 /nfs/dbraw/zinc/94/82/46/321948246.db2.gz YGZYXBGZROHMNA-UHFFFAOYSA-N 1 3 344.459 1.263 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN(C)CC1 ZINC000580704143 322084352 /nfs/dbraw/zinc/08/43/52/322084352.db2.gz BWKVJZFAUHZCRW-RRFJBIMHSA-N 1 3 340.537 1.501 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000580785614 322095990 /nfs/dbraw/zinc/09/59/90/322095990.db2.gz HTVHPJBNYMULTH-CQSZACIVSA-N 1 3 342.447 1.192 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)Cc1ccccc1 ZINC000340856077 444545319 /nfs/dbraw/zinc/54/53/19/444545319.db2.gz CNBVLNMAHHXEFV-MOPGFXCFSA-N 1 3 342.487 1.815 20 0 EDADHO CCCN(C)CC(=O)NC1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC000338268858 444599916 /nfs/dbraw/zinc/59/99/16/444599916.db2.gz QWEOKRJEAZUNNN-UHFFFAOYSA-N 1 3 340.512 1.214 20 0 EDADHO CCCN(C)CC(=O)NC1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC000338268858 444599918 /nfs/dbraw/zinc/59/99/18/444599918.db2.gz QWEOKRJEAZUNNN-UHFFFAOYSA-N 1 3 340.512 1.214 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000333580278 444682179 /nfs/dbraw/zinc/68/21/79/444682179.db2.gz UBRWRNSCYNWXDW-DLBZAZTESA-N 1 3 338.496 1.128 20 0 EDADHO COC(=O)[C@@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934647 444678404 /nfs/dbraw/zinc/67/84/04/444678404.db2.gz HYTQIDPDVZTIRF-APWZRJJASA-N 1 3 334.460 1.801 20 0 EDADHO COC(=O)[C@@](C)(O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934647 444678408 /nfs/dbraw/zinc/67/84/08/444678408.db2.gz HYTQIDPDVZTIRF-APWZRJJASA-N 1 3 334.460 1.801 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCN1C ZINC000341187156 444716901 /nfs/dbraw/zinc/71/69/01/444716901.db2.gz CGNCYVIZQDBDQF-LSDHHAIUSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000344050150 444750964 /nfs/dbraw/zinc/75/09/64/444750964.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 1 3 335.492 1.683 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000342717555 444831914 /nfs/dbraw/zinc/83/19/14/444831914.db2.gz VYMPQUYIYZJIPS-OAHLLOKOSA-N 1 3 327.469 1.237 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](N)CCC(=O)OC)CC1 ZINC000342717555 444831916 /nfs/dbraw/zinc/83/19/16/444831916.db2.gz VYMPQUYIYZJIPS-OAHLLOKOSA-N 1 3 327.469 1.237 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000342765441 444855980 /nfs/dbraw/zinc/85/59/80/444855980.db2.gz OJXREYWWHSFMHH-HNNXBMFYSA-N 1 3 325.453 1.038 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)CCOC)CC1 ZINC000344340239 444905823 /nfs/dbraw/zinc/90/58/23/444905823.db2.gz LVSDRTBLDXJRQB-IBGZPJMESA-N 1 3 335.492 1.706 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000344616500 445088145 /nfs/dbraw/zinc/08/81/45/445088145.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000344616500 445088147 /nfs/dbraw/zinc/08/81/47/445088147.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 1 3 337.508 1.866 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)C1 ZINC000344530154 445037561 /nfs/dbraw/zinc/03/75/61/445037561.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 1 3 326.485 1.079 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)C1 ZINC000344530154 445037563 /nfs/dbraw/zinc/03/75/63/445037563.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 1 3 326.485 1.079 20 0 EDADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CN2CCN1CCC2 ZINC000343075822 445045234 /nfs/dbraw/zinc/04/52/34/445045234.db2.gz ZYNIQFPDRMCTOV-IBGZPJMESA-N 1 3 342.487 1.157 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000345073201 445159444 /nfs/dbraw/zinc/15/94/44/445159444.db2.gz MDXKKLSRARROKU-NEWSRXKRSA-N 1 3 345.487 1.544 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000345073201 445159450 /nfs/dbraw/zinc/15/94/50/445159450.db2.gz MDXKKLSRARROKU-NEWSRXKRSA-N 1 3 345.487 1.544 20 0 EDADHO CCN1CCN(CCC[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343401217 445216028 /nfs/dbraw/zinc/21/60/28/445216028.db2.gz JZRCDRBHANLNBP-FUHWJXTLSA-N 1 3 335.496 1.115 20 0 EDADHO C[C@H]1CN(CC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000348010449 445261154 /nfs/dbraw/zinc/26/11/54/445261154.db2.gz WPOBCQDODAVMBZ-IRXDYDNUSA-N 1 3 325.497 1.140 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354712312 445347986 /nfs/dbraw/zinc/34/79/86/445347986.db2.gz PTRXUVJENBWFSB-QGZVFWFLSA-N 1 3 346.475 1.725 20 0 EDADHO CC[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CCO1 ZINC000356968112 445352657 /nfs/dbraw/zinc/35/26/57/445352657.db2.gz QDXJWTDWPXEZDS-DOTOQJQBSA-N 1 3 325.497 1.581 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000354654174 445328227 /nfs/dbraw/zinc/32/82/27/445328227.db2.gz GFMPOBRJRAWSCK-GDBMZVCRSA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCSC1 ZINC000357131508 445444855 /nfs/dbraw/zinc/44/48/55/445444855.db2.gz QSNJGARHXNGIHC-INIZCTEOSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000357181446 445470407 /nfs/dbraw/zinc/47/04/07/445470407.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000357181446 445470412 /nfs/dbraw/zinc/47/04/12/445470412.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000357249931 445507766 /nfs/dbraw/zinc/50/77/66/445507766.db2.gz SQTILLPFPBGGHW-CZUORRHYSA-N 1 3 332.448 1.386 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126378 445508870 /nfs/dbraw/zinc/50/88/70/445508870.db2.gz SHDOKXJWQPYRIU-AZUAARDMSA-N 1 3 347.503 1.718 20 0 EDADHO CN(C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126378 445508874 /nfs/dbraw/zinc/50/88/74/445508874.db2.gz SHDOKXJWQPYRIU-AZUAARDMSA-N 1 3 347.503 1.718 20 0 EDADHO CC(C)N(C(=O)CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000362719392 445517795 /nfs/dbraw/zinc/51/77/95/445517795.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 1 3 338.540 1.732 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000362725965 445520417 /nfs/dbraw/zinc/52/04/17/445520417.db2.gz RTZHUGOYVAKHDQ-QFBILLFUSA-N 1 3 344.503 1.745 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000362725965 445520419 /nfs/dbraw/zinc/52/04/19/445520419.db2.gz RTZHUGOYVAKHDQ-QFBILLFUSA-N 1 3 344.503 1.745 20 0 EDADHO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000352110156 445499281 /nfs/dbraw/zinc/49/92/81/445499281.db2.gz AIQKLJAHIFCWNQ-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000362794785 445552522 /nfs/dbraw/zinc/55/25/22/445552522.db2.gz NWNBLWJSCLSYST-JKSUJKDBSA-N 1 3 331.464 1.508 20 0 EDADHO C[C@H](CN(C)C)NC(=O)c1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1 ZINC000360184461 445617624 /nfs/dbraw/zinc/61/76/24/445617624.db2.gz LGAUECREHRKDPW-ZIAGYGMSSA-N 1 3 334.464 1.046 20 0 EDADHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000353488706 445626066 /nfs/dbraw/zinc/62/60/66/445626066.db2.gz ORKINHUDNZJCEY-SFHVURJKSA-N 1 3 340.556 1.493 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(N)C(F)(F)F)CC1 ZINC000353519778 445638972 /nfs/dbraw/zinc/63/89/72/445638972.db2.gz NUMPGIYNOHCVNL-CQSZACIVSA-N 1 3 329.366 1.965 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353431605 445598228 /nfs/dbraw/zinc/59/82/28/445598228.db2.gz RBWRCAWPRSDXIG-HZPDHXFCSA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](CCCN3CCCC3)CC2)C[C@H](C)O1 ZINC000363006393 445647061 /nfs/dbraw/zinc/64/70/61/445647061.db2.gz HDBFCUXJGFYYAS-CALCHBBNSA-N 1 3 337.508 1.820 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000349757021 445667843 /nfs/dbraw/zinc/66/78/43/445667843.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000349757021 445667847 /nfs/dbraw/zinc/66/78/47/445667847.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 1 3 340.512 1.070 20 0 EDADHO C[NH+]1CCC(CNC(=O)C2CCN(Cc3cccnc3)CC2)CC1 ZINC000361477636 445779015 /nfs/dbraw/zinc/77/90/15/445779015.db2.gz JAOOQNQGFMJPJR-UHFFFAOYSA-N 1 3 330.476 1.752 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363407851 445791696 /nfs/dbraw/zinc/79/16/96/445791696.db2.gz HAEGUQVDKGBRBW-UHFFFAOYSA-N 1 3 345.491 1.726 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C[C@@H](C)O1 ZINC000363834555 445878531 /nfs/dbraw/zinc/87/85/31/445878531.db2.gz WGSUHYKPPNDTOH-MDZRGWNJSA-N 1 3 349.519 1.676 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000358891177 445834984 /nfs/dbraw/zinc/83/49/84/445834984.db2.gz YHVCCCJGODCWQF-INIZCTEOSA-N 1 3 325.497 1.773 20 0 EDADHO COC1CCC(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000583292139 326042522 /nfs/dbraw/zinc/04/25/22/326042522.db2.gz VJQVEESVOAKIMZ-UHFFFAOYSA-N 1 3 342.528 1.717 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000583324896 326050961 /nfs/dbraw/zinc/05/09/61/326050961.db2.gz PQAWOENGDGHESU-UHFFFAOYSA-N 1 3 335.448 1.852 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000365148058 446054492 /nfs/dbraw/zinc/05/44/92/446054492.db2.gz ZONLBECCGLKVNE-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO COC[C@@H](C)OC[C@H](O)CN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000373144900 446057122 /nfs/dbraw/zinc/05/71/22/446057122.db2.gz FBUZQGSSRSOETE-IEBWSBKVSA-N 1 3 342.524 1.843 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993618 326180111 /nfs/dbraw/zinc/18/01/11/326180111.db2.gz OABSTFLUPHCYMJ-OTWHNJEPSA-N 1 3 342.487 1.752 20 0 EDADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359236279 446067839 /nfs/dbraw/zinc/06/78/39/446067839.db2.gz ONXKLQNUQKZSTE-INIZCTEOSA-N 1 3 331.464 1.392 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000359282905 446119272 /nfs/dbraw/zinc/11/92/72/446119272.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000359282905 446119273 /nfs/dbraw/zinc/11/92/73/446119273.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO Cn1cc(-c2ncc(CNCCCC[N@@H+]3CCC[C@H]3CO)cn2)cn1 ZINC000366353429 446169169 /nfs/dbraw/zinc/16/91/69/446169169.db2.gz ZVHYQAZJXMMNDA-KRWDZBQOSA-N 1 3 344.463 1.204 20 0 EDADHO Cn1cc(-c2ncc(CNCCCC[N@H+]3CCC[C@H]3CO)cn2)cn1 ZINC000366353429 446169174 /nfs/dbraw/zinc/16/91/74/446169174.db2.gz ZVHYQAZJXMMNDA-KRWDZBQOSA-N 1 3 344.463 1.204 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000359389766 446193335 /nfs/dbraw/zinc/19/33/35/446193335.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 1 3 349.523 1.035 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000359389766 446193339 /nfs/dbraw/zinc/19/33/39/446193339.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 1 3 349.523 1.035 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)n1 ZINC000373966384 446345676 /nfs/dbraw/zinc/34/56/76/446345676.db2.gz CUCAWLZRYBLGIJ-UHFFFAOYSA-N 1 3 334.468 1.583 20 0 EDADHO COCCN(C)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436403 446351893 /nfs/dbraw/zinc/35/18/93/446351893.db2.gz DRUKFNKZQNZSDC-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000417526204 446361605 /nfs/dbraw/zinc/36/16/05/446361605.db2.gz MGURMPONVJOCIG-QAPCUYQASA-N 1 3 348.491 1.548 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000417523590 446361694 /nfs/dbraw/zinc/36/16/94/446361694.db2.gz IFIFTWHAZTXNCG-IRXDYDNUSA-N 1 3 348.491 1.596 20 0 EDADHO C[C@H]1CN(CCN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000374300431 446361909 /nfs/dbraw/zinc/36/19/09/446361909.db2.gz CYMLIDUADAGXMT-WDSOQIARSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@H]1CN(CCN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000374300431 446361913 /nfs/dbraw/zinc/36/19/13/446361913.db2.gz CYMLIDUADAGXMT-WDSOQIARSA-N 1 3 332.492 1.727 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417533470 446362933 /nfs/dbraw/zinc/36/29/33/446362933.db2.gz MSHOIHHKXZDOQH-QKPAOTATSA-N 1 3 326.485 1.397 20 0 EDADHO CC[NH2+]CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417583088 446365182 /nfs/dbraw/zinc/36/51/82/446365182.db2.gz LFXHCKDAPXKMFW-UHFFFAOYSA-N 1 3 340.512 1.709 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950109 446395868 /nfs/dbraw/zinc/39/58/68/446395868.db2.gz VPZOXYGAHICADM-TVFCKZIOSA-N 1 3 346.475 1.580 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000420258658 446437140 /nfs/dbraw/zinc/43/71/40/446437140.db2.gz KMYOJLXRLAUJKW-UHFFFAOYSA-N 1 3 333.484 1.516 20 0 EDADHO COc1ccc([C@H](NC[C@@H]2CCCN2CCCO)[C@H]2CCC[NH2+]2)cc1 ZINC000423144948 446439349 /nfs/dbraw/zinc/43/93/49/446439349.db2.gz ILDFVAZVFWKGKP-SXLOBPIMSA-N 1 3 347.503 1.925 20 0 EDADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418099207 446440461 /nfs/dbraw/zinc/44/04/61/446440461.db2.gz BSQZJFIBNXZLQW-QUCCMNQESA-N 1 3 342.487 1.904 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000418003972 446412172 /nfs/dbraw/zinc/41/21/72/446412172.db2.gz ZEPNNJIYNSJILE-QZTJIDSGSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCCN1C ZINC000418012704 446415776 /nfs/dbraw/zinc/41/57/76/446415776.db2.gz YBBDCOHKVHFLMZ-RANZSIQMSA-N 1 3 330.476 1.853 20 0 EDADHO COC1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767676 446425667 /nfs/dbraw/zinc/42/56/67/446425667.db2.gz VJSSLVSICAMSKD-KRWDZBQOSA-N 1 3 331.460 1.488 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000418213294 446459799 /nfs/dbraw/zinc/45/97/99/446459799.db2.gz VYEIRYZSCLGATJ-YOEHRIQHSA-N 1 3 336.480 1.984 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000418280275 446482770 /nfs/dbraw/zinc/48/27/70/446482770.db2.gz AMMRDKFUOFTIQI-HUUCEWRRSA-N 1 3 326.485 1.135 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286861 446484688 /nfs/dbraw/zinc/48/46/88/446484688.db2.gz SESPYVWKWFVXAP-MRXNPFEDSA-N 1 3 339.528 1.363 20 0 EDADHO COC(=O)c1cccc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420321991 446488307 /nfs/dbraw/zinc/48/83/07/446488307.db2.gz DOWZYEYQAUXUFN-MRXNPFEDSA-N 1 3 348.443 1.539 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000423333124 446490763 /nfs/dbraw/zinc/49/07/63/446490763.db2.gz DVJQWLXXILRUBG-XHSDSOJGSA-N 1 3 325.497 1.770 20 0 EDADHO COc1ccc(C[C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423376126 446509014 /nfs/dbraw/zinc/50/90/14/446509014.db2.gz ANKQVINIHIHULA-TZMCWYRMSA-N 1 3 346.397 1.447 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339511 446509363 /nfs/dbraw/zinc/50/93/63/446509363.db2.gz LXHJTXJQHCMGNR-HZPDHXFCSA-N 1 3 345.443 1.353 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341112 446511434 /nfs/dbraw/zinc/51/14/34/446511434.db2.gz NQTDSNSJRNGGFS-ZWKOTPCHSA-N 1 3 345.487 1.975 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000420330891 446500559 /nfs/dbraw/zinc/50/05/59/446500559.db2.gz IJVVFLPLGJHHLU-BPQIPLTHSA-N 1 3 332.492 1.465 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1c(F)cccc1F ZINC000420347864 446523481 /nfs/dbraw/zinc/52/34/81/446523481.db2.gz ZNYIBYGMLJBMRE-OKILXGFUSA-N 1 3 337.414 1.555 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418388450 446524387 /nfs/dbraw/zinc/52/43/87/446524387.db2.gz VGCQQLWFYGSSQD-CQSZACIVSA-N 1 3 340.418 1.790 20 0 EDADHO O[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCc2cccc(Br)c2C1 ZINC000423418311 446526618 /nfs/dbraw/zinc/52/66/18/446526618.db2.gz HRVYUMSARSDXMZ-YWPYICTPSA-N 1 3 325.250 1.476 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418416983 446537203 /nfs/dbraw/zinc/53/72/03/446537203.db2.gz UTGCJEBIXFBFSM-JYJNAYRXSA-N 1 3 326.485 1.256 20 0 EDADHO [NH3+]C[C@@H](NCCC(=O)NC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000420364691 446544369 /nfs/dbraw/zinc/54/43/69/446544369.db2.gz KMSIHORGNKGBPB-LLVKDONJSA-N 1 3 338.374 1.262 20 0 EDADHO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367315 446545870 /nfs/dbraw/zinc/54/58/70/446545870.db2.gz VJQGTUUBAXZIKB-KGLIPLIRSA-N 1 3 325.478 1.717 20 0 EDADHO OCCN1CCN(CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453119627 446546176 /nfs/dbraw/zinc/54/61/76/446546176.db2.gz KQUGVFFNDMNPSX-UHFFFAOYSA-N 1 3 345.531 1.914 20 0 EDADHO CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420370103 446549328 /nfs/dbraw/zinc/54/93/28/446549328.db2.gz CFBRTIRDDGKKAF-MRXNPFEDSA-N 1 3 345.447 1.851 20 0 EDADHO CCOc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420370103 446549332 /nfs/dbraw/zinc/54/93/32/446549332.db2.gz CFBRTIRDDGKKAF-MRXNPFEDSA-N 1 3 345.447 1.851 20 0 EDADHO CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420374618 446552014 /nfs/dbraw/zinc/55/20/14/446552014.db2.gz OFUJJRLVWSVALG-CMKODMSKSA-N 1 3 348.487 1.829 20 0 EDADHO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420374618 446552022 /nfs/dbraw/zinc/55/20/22/446552022.db2.gz OFUJJRLVWSVALG-CMKODMSKSA-N 1 3 348.487 1.829 20 0 EDADHO CCOC(=O)[C@]1(C(C)C)CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420374618 446552029 /nfs/dbraw/zinc/55/20/29/446552029.db2.gz OFUJJRLVWSVALG-CMKODMSKSA-N 1 3 348.487 1.829 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252240 446553277 /nfs/dbraw/zinc/55/32/77/446553277.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 1 3 341.540 1.560 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418505975 446569834 /nfs/dbraw/zinc/56/98/34/446569834.db2.gz GTMRSLJNPKJIGK-KRWDZBQOSA-N 1 3 348.491 1.386 20 0 EDADHO C[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418509076 446572653 /nfs/dbraw/zinc/57/26/53/446572653.db2.gz AWUYUAYHAYETSC-KFWWJZLASA-N 1 3 326.485 1.255 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)CC1 ZINC000371117344 446637281 /nfs/dbraw/zinc/63/72/81/446637281.db2.gz FSNFSANCGGCZLR-CQSZACIVSA-N 1 3 345.491 1.189 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751786 446670864 /nfs/dbraw/zinc/67/08/64/446670864.db2.gz RQNOIEVXHIAJEL-KBPBESRZSA-N 1 3 344.381 1.725 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418647507 446631823 /nfs/dbraw/zinc/63/18/23/446631823.db2.gz GRCHFWWFZGVEMF-AEFFLSMTSA-N 1 3 348.491 1.395 20 0 EDADHO COC[C@@]1(CNC(=O)N(CCN(C)C)Cc2ccccc2)CCC[NH2+]1 ZINC000418651323 446632588 /nfs/dbraw/zinc/63/25/88/446632588.db2.gz HIJPKJCPADPNAG-IBGZPJMESA-N 1 3 348.491 1.528 20 0 EDADHO CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N1CCCCC1 ZINC000418835416 446740961 /nfs/dbraw/zinc/74/09/61/446740961.db2.gz NOWOABRJNPFQDY-LSDHHAIUSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886041 446743434 /nfs/dbraw/zinc/74/34/34/446743434.db2.gz ZOYNIUBHPPXDHZ-SNRMKQJTSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886041 446743441 /nfs/dbraw/zinc/74/34/41/446743441.db2.gz ZOYNIUBHPPXDHZ-SNRMKQJTSA-N 1 3 345.487 1.767 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4COC[C@@H]4C3)CC2)CC1 ZINC000620132003 450436817 /nfs/dbraw/zinc/43/68/17/450436817.db2.gz FGBQURIGOYVKST-MSOLQXFVSA-N 1 3 349.519 1.678 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000418959168 446828818 /nfs/dbraw/zinc/82/88/18/446828818.db2.gz HFHYNCKDCSEQSO-ZBFHGGJFSA-N 1 3 338.496 1.014 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC2CCC([NH+](C)C)CC2)CCSC1 ZINC000420817225 446840550 /nfs/dbraw/zinc/84/05/50/446840550.db2.gz ZEYUIIURKHFMRN-XUJLQICISA-N 1 3 328.526 1.596 20 0 EDADHO COCCNCC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375511235 446862144 /nfs/dbraw/zinc/86/21/44/446862144.db2.gz FQRJUXKBOZLJPO-MSOLQXFVSA-N 1 3 333.476 1.421 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)nc12 ZINC000424285044 446864663 /nfs/dbraw/zinc/86/46/63/446864663.db2.gz DZEULQKJXLDLSU-HNNXBMFYSA-N 1 3 326.444 1.967 20 0 EDADHO C[C@H]1COCCN1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626278 446934050 /nfs/dbraw/zinc/93/40/50/446934050.db2.gz RRKCJNMDQSZWSE-SFHVURJKSA-N 1 3 346.519 1.741 20 0 EDADHO CCCN(C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000442820564 446979123 /nfs/dbraw/zinc/97/91/23/446979123.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)NC[C@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000442820564 446979130 /nfs/dbraw/zinc/97/91/30/446979130.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC000442820564 446979133 /nfs/dbraw/zinc/97/91/33/446979133.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC000442820564 446979139 /nfs/dbraw/zinc/97/91/39/446979139.db2.gz BVQSXWPRUODWDS-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368620237 446985011 /nfs/dbraw/zinc/98/50/11/446985011.db2.gz XMRDJIYQRTYADE-QZWWFDLISA-N 1 3 336.480 1.118 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421012565 446985881 /nfs/dbraw/zinc/98/58/81/446985881.db2.gz UCYONSCULCYPEY-ZWKOTPCHSA-N 1 3 332.492 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421012565 446985883 /nfs/dbraw/zinc/98/58/83/446985883.db2.gz UCYONSCULCYPEY-ZWKOTPCHSA-N 1 3 332.492 1.432 20 0 EDADHO C[C@H](CCNC(=O)Nc1ccnn1CCN(C)C)[NH+]1CCCCC1 ZINC000455644233 447194048 /nfs/dbraw/zinc/19/40/48/447194048.db2.gz CHZYHYZWBHZQER-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455654440 447197659 /nfs/dbraw/zinc/19/76/59/447197659.db2.gz GJKYGBURMBJPNT-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377684969 447294700 /nfs/dbraw/zinc/29/47/00/447294700.db2.gz YNJDNDKWKJMRHF-UHFFFAOYSA-N 1 3 342.491 1.930 20 0 EDADHO CN(Cc1cn(C(C)(C)C)nn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630221 447257955 /nfs/dbraw/zinc/25/79/55/447257955.db2.gz QCGDHCCQMAGNPC-KRWDZBQOSA-N 1 3 334.512 1.633 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631022 447453383 /nfs/dbraw/zinc/45/33/83/447453383.db2.gz LQFZLJZIJXRYQF-IEBWSBKVSA-N 1 3 335.492 1.180 20 0 EDADHO C[C@H](CCNC[C@@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631022 447453389 /nfs/dbraw/zinc/45/33/89/447453389.db2.gz LQFZLJZIJXRYQF-IEBWSBKVSA-N 1 3 335.492 1.180 20 0 EDADHO CN1CC[C@H]2CN(C(=O)NCc3ccc(CC[NH+](C)C)cc3)C[C@H]21 ZINC000458691011 447454448 /nfs/dbraw/zinc/45/44/48/447454448.db2.gz OVLUNVBYBOHLFU-ZWKOTPCHSA-N 1 3 330.476 1.636 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000415502532 447484525 /nfs/dbraw/zinc/48/45/25/447484525.db2.gz TUYQONUTLHVYKF-QGZVFWFLSA-N 1 3 333.480 1.933 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419929541 447496855 /nfs/dbraw/zinc/49/68/55/447496855.db2.gz MPZLXESQHMCGAW-KRWDZBQOSA-N 1 3 346.475 1.137 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000457529214 447588562 /nfs/dbraw/zinc/58/85/62/447588562.db2.gz MDZOIYSGNAZVBA-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N(CC)CC ZINC000427094100 447543366 /nfs/dbraw/zinc/54/33/66/447543366.db2.gz PFWWBPBJTQWKQP-SQNIBIBYSA-N 1 3 339.524 1.991 20 0 EDADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156241 447554708 /nfs/dbraw/zinc/55/47/08/447554708.db2.gz XIUFALCFSYKNJW-QZTJIDSGSA-N 1 3 335.492 1.717 20 0 EDADHO COC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398105980 447556394 /nfs/dbraw/zinc/55/63/94/447556394.db2.gz BNODITHIRSXEAS-FUHWJXTLSA-N 1 3 345.487 1.782 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034009 447557928 /nfs/dbraw/zinc/55/79/28/447557928.db2.gz BVRUKDAAYFRBCE-MRXNPFEDSA-N 1 3 338.496 1.016 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055330 447562303 /nfs/dbraw/zinc/56/23/03/447562303.db2.gz XAQOFFYZWDXBJB-ROUUACIJSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)CN1CCN(C)CC1 ZINC000457558230 447597337 /nfs/dbraw/zinc/59/73/37/447597337.db2.gz PYPRZBBREBTGHF-INIZCTEOSA-N 1 3 336.524 1.251 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457660752 447613283 /nfs/dbraw/zinc/61/32/83/447613283.db2.gz YJEDISZTHJNXDY-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637368 447682944 /nfs/dbraw/zinc/68/29/44/447682944.db2.gz OLBVSFYFPXEJMQ-GMTAPVOTSA-N 1 3 338.374 1.070 20 0 EDADHO O=C(NCCN[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000422728918 447731241 /nfs/dbraw/zinc/73/12/41/447731241.db2.gz HAAKFMGFMCBWRB-CQSZACIVSA-N 1 3 340.265 1.911 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835945 447764626 /nfs/dbraw/zinc/76/46/26/447764626.db2.gz ZKWNLOVXBSAHFL-IRXDYDNUSA-N 1 3 332.496 1.096 20 0 EDADHO C[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422772257 447746005 /nfs/dbraw/zinc/74/60/05/447746005.db2.gz SHZRJVPVJYHLJJ-QGZVFWFLSA-N 1 3 339.487 1.963 20 0 EDADHO COC(=O)CCn1nc(C)c(CNCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459728587 447753573 /nfs/dbraw/zinc/75/35/73/447753573.db2.gz IKJQPWINJVDQBM-INIZCTEOSA-N 1 3 336.480 1.885 20 0 EDADHO COC(=O)CCn1nc(C)c(CNCC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000459728587 447753577 /nfs/dbraw/zinc/75/35/77/447753577.db2.gz IKJQPWINJVDQBM-INIZCTEOSA-N 1 3 336.480 1.885 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422914781 447771557 /nfs/dbraw/zinc/77/15/57/447771557.db2.gz VZJSBZUPODBKGF-UHFFFAOYSA-N 1 3 330.476 1.354 20 0 EDADHO C[C@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422919629 447772384 /nfs/dbraw/zinc/77/23/84/447772384.db2.gz KMYZTWQVCGNXRO-KBXCAEBGSA-N 1 3 330.476 1.936 20 0 EDADHO CCOC(=O)C1([C@H](C)NC[C@@](C)(O)C(F)(F)F)CC[NH2+]CC1 ZINC000423016418 447791809 /nfs/dbraw/zinc/79/18/09/447791809.db2.gz SWDRZQLZHGRLSO-CMPLNLGQSA-N 1 3 326.359 1.211 20 0 EDADHO CC(C)C[C@H](N[C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCCN(C)C ZINC000423021417 447792122 /nfs/dbraw/zinc/79/21/22/447792122.db2.gz CAHFKQZYYXVXEQ-SQNIBIBYSA-N 1 3 340.556 1.979 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)CC[NH2+]CC1 ZINC000423025495 447793335 /nfs/dbraw/zinc/79/33/35/447793335.db2.gz OLUBWHHKAFVNFW-QWHCGFSZSA-N 1 3 337.468 1.900 20 0 EDADHO CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[n-]2)CC[NH2+]CC1 ZINC000423025495 447793339 /nfs/dbraw/zinc/79/33/39/447793339.db2.gz OLUBWHHKAFVNFW-QWHCGFSZSA-N 1 3 337.468 1.900 20 0 EDADHO C[C@H](NCCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000423112501 447807804 /nfs/dbraw/zinc/80/78/04/447807804.db2.gz XJXLFBGAIXHKET-STQMWFEESA-N 1 3 345.896 1.596 20 0 EDADHO CC1CC[NH+](CCCNC[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700455 447851458 /nfs/dbraw/zinc/85/14/58/447851458.db2.gz QVWDFJWSGNNZBX-SFHVURJKSA-N 1 3 343.512 1.974 20 0 EDADHO CC1CCN(CCC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700455 447851459 /nfs/dbraw/zinc/85/14/59/447851459.db2.gz QVWDFJWSGNNZBX-SFHVURJKSA-N 1 3 343.512 1.974 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489165890 447852191 /nfs/dbraw/zinc/85/21/91/447852191.db2.gz FODVHTZWZINZGU-VVLHAWIVSA-N 1 3 338.496 1.079 20 0 EDADHO CS[C@@H]1CN(C(=O)CC2CCN(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000487096014 447827579 /nfs/dbraw/zinc/82/75/79/447827579.db2.gz MRJWEYKDVFSUNR-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO CS[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1N1CCCC1 ZINC000487096014 447827580 /nfs/dbraw/zinc/82/75/80/447827580.db2.gz MRJWEYKDVFSUNR-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO CC(C)(C)OC(=O)NCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000496755688 447884615 /nfs/dbraw/zinc/88/46/15/447884615.db2.gz HOOSFAJPKSTBEM-CQSZACIVSA-N 1 3 327.469 1.338 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]C[C@H](O)CN2CCC(C)CC2)nc1 ZINC000576030251 447955173 /nfs/dbraw/zinc/95/51/73/447955173.db2.gz SGGOIPLTPVPKJR-INIZCTEOSA-N 1 3 334.464 1.401 20 0 EDADHO C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000530806443 447960345 /nfs/dbraw/zinc/96/03/45/447960345.db2.gz OHNJZWIEKNWBPP-HNNXBMFYSA-N 1 3 346.475 1.187 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000570293592 447981313 /nfs/dbraw/zinc/98/13/13/447981313.db2.gz ZGGBKRGWLOJTGL-UHFFFAOYSA-N 1 3 329.448 1.436 20 0 EDADHO C(CN1CCC(OCC[NH+]2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000525307479 447993921 /nfs/dbraw/zinc/99/39/21/447993921.db2.gz CBUUUBXKEVDOOP-GOSISDBHSA-N 1 3 326.481 1.759 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000491447351 448030381 /nfs/dbraw/zinc/03/03/81/448030381.db2.gz OIPZEBMOGARSOJ-KGLIPLIRSA-N 1 3 334.468 1.754 20 0 EDADHO CC[NH+]1CCC(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531291387 448054147 /nfs/dbraw/zinc/05/41/47/448054147.db2.gz BPRMUCKPORHRPU-LJQANCHMSA-N 1 3 331.460 1.224 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000500878441 448088663 /nfs/dbraw/zinc/08/86/63/448088663.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)CN1C ZINC000500878441 448088669 /nfs/dbraw/zinc/08/86/69/448088669.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 1 3 326.485 1.221 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000531489697 448093233 /nfs/dbraw/zinc/09/32/33/448093233.db2.gz OFDJVVSWWWSSQN-OAHLLOKOSA-N 1 3 349.450 1.737 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000531489697 448093238 /nfs/dbraw/zinc/09/32/38/448093238.db2.gz OFDJVVSWWWSSQN-OAHLLOKOSA-N 1 3 349.450 1.737 20 0 EDADHO CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460373 448157845 /nfs/dbraw/zinc/15/78/45/448157845.db2.gz RFZFCSXUHGDCKK-UXHICEINSA-N 1 3 349.519 1.522 20 0 EDADHO CC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460373 448157851 /nfs/dbraw/zinc/15/78/51/448157851.db2.gz RFZFCSXUHGDCKK-UXHICEINSA-N 1 3 349.519 1.522 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695791 448128816 /nfs/dbraw/zinc/12/88/16/448128816.db2.gz XBAKOCBALDZYCM-UKPHBRMFSA-N 1 3 347.459 1.241 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695791 448128822 /nfs/dbraw/zinc/12/88/22/448128822.db2.gz XBAKOCBALDZYCM-UKPHBRMFSA-N 1 3 347.459 1.241 20 0 EDADHO CN(CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000571301031 448133094 /nfs/dbraw/zinc/13/30/94/448133094.db2.gz HEDWRWVDRVMNDA-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000577581918 448331059 /nfs/dbraw/zinc/33/10/59/448331059.db2.gz MKEHKANGJCIUTC-HNNXBMFYSA-N 1 3 348.495 1.783 20 0 EDADHO C[C@@H]1CN(C(=O)Nc2ccnn2CCN(C)C)CC[N@H+](C2CCC2)C1 ZINC000577581918 448331061 /nfs/dbraw/zinc/33/10/61/448331061.db2.gz MKEHKANGJCIUTC-HNNXBMFYSA-N 1 3 348.495 1.783 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000566179852 448406448 /nfs/dbraw/zinc/40/64/48/448406448.db2.gz PIAJKDCLOWTRCA-IKKRTKPYSA-N 1 3 337.508 1.349 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1nnnn1-c1ccccc1)C2 ZINC000577878164 448410533 /nfs/dbraw/zinc/41/05/33/448410533.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 1 3 326.448 1.762 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1nnnn1-c1ccccc1)C2 ZINC000577878164 448410539 /nfs/dbraw/zinc/41/05/39/448410539.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 1 3 326.448 1.762 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CC34CCOCC4)CC2)CC1 ZINC000578082705 448458598 /nfs/dbraw/zinc/45/85/98/448458598.db2.gz ZIYXAROTIOXRRN-GOSISDBHSA-N 1 3 349.519 1.868 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578155521 448473593 /nfs/dbraw/zinc/47/35/93/448473593.db2.gz QEMYPFPIELYINY-GOOCMWNKSA-N 1 3 334.468 1.582 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578155521 448473601 /nfs/dbraw/zinc/47/36/01/448473601.db2.gz QEMYPFPIELYINY-GOOCMWNKSA-N 1 3 334.468 1.582 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000584458714 448533337 /nfs/dbraw/zinc/53/33/37/448533337.db2.gz DSAWSKFKGTZIOB-AEFFLSMTSA-N 1 3 346.475 1.520 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3c[nH]c(C(N)=O)c3)CC2)CC1 ZINC000566569998 448510949 /nfs/dbraw/zinc/51/09/49/448510949.db2.gz ICUSLYLULZXICL-UHFFFAOYSA-N 1 3 347.463 1.248 20 0 EDADHO Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@@H](O)CN3CCCC3)c2cc1C ZINC000566916354 448585449 /nfs/dbraw/zinc/58/54/49/448585449.db2.gz ZWPVNEDVQITMHX-SJORKVTESA-N 1 3 346.475 1.060 20 0 EDADHO COCc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)ncn1 ZINC000578810093 448640602 /nfs/dbraw/zinc/64/06/02/448640602.db2.gz SORYJKOBRHKOJS-UHFFFAOYSA-N 1 3 333.480 1.985 20 0 EDADHO [NH3+][C@@H](CC(=O)Nc1ccc(N2CCNCC2)cn1)Cc1ccccc1 ZINC000573548163 448654796 /nfs/dbraw/zinc/65/47/96/448654796.db2.gz FPLIXKDQQGGYMX-MRXNPFEDSA-N 1 3 339.443 1.390 20 0 EDADHO COC(=O)CCN(Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CCCO1 ZINC000573450729 448631050 /nfs/dbraw/zinc/63/10/50/448631050.db2.gz CMHIGSFNXUSQGM-SFHVURJKSA-N 1 3 332.444 1.876 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463974 448699518 /nfs/dbraw/zinc/69/95/18/448699518.db2.gz AGNFKAVIHSFAQT-HNNXBMFYSA-N 1 3 332.448 1.192 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](CCCNCCC(=O)Nc2ccccc2)C1 ZINC000567463974 448699524 /nfs/dbraw/zinc/69/95/24/448699524.db2.gz AGNFKAVIHSFAQT-HNNXBMFYSA-N 1 3 332.448 1.192 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNCCC(=O)Nc2ccccc2)C1 ZINC000567463974 448699530 /nfs/dbraw/zinc/69/95/30/448699530.db2.gz AGNFKAVIHSFAQT-HNNXBMFYSA-N 1 3 332.448 1.192 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468322 448801099 /nfs/dbraw/zinc/80/10/99/448801099.db2.gz CEDRYIUAAYNYOA-LJQANCHMSA-N 1 3 344.503 1.568 20 0 EDADHO CN1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322947 448823422 /nfs/dbraw/zinc/82/34/22/448823422.db2.gz RXTKTJYOBXCUBY-JKSUJKDBSA-N 1 3 332.448 1.239 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCN3C)CC2)CC1 ZINC000568199381 448836786 /nfs/dbraw/zinc/83/67/86/448836786.db2.gz VVMXNGCBTKLZBU-GOSISDBHSA-N 1 3 336.524 1.393 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000519762513 448838207 /nfs/dbraw/zinc/83/82/07/448838207.db2.gz JABMYNIKDPHTNK-LZLYRXPVSA-N 1 3 331.460 1.773 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000519762513 448838212 /nfs/dbraw/zinc/83/82/12/448838212.db2.gz JABMYNIKDPHTNK-LZLYRXPVSA-N 1 3 331.460 1.773 20 0 EDADHO CNC(=O)c1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000568728270 448909576 /nfs/dbraw/zinc/90/95/76/448909576.db2.gz JZEQUUNXMNGXER-ROUUACIJSA-N 1 3 331.460 1.765 20 0 EDADHO Cn1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832513 448890513 /nfs/dbraw/zinc/89/05/13/448890513.db2.gz GKIOBUFJPVPEKL-KRWDZBQOSA-N 1 3 341.459 1.669 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000521005248 448945463 /nfs/dbraw/zinc/94/54/63/448945463.db2.gz SOOHOWZKCFKSPX-KRWDZBQOSA-N 1 3 339.528 1.221 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074160 449005215 /nfs/dbraw/zinc/00/52/15/449005215.db2.gz DIJWTPFRTWQVQT-MSOLQXFVSA-N 1 3 330.476 1.697 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000521455801 448989183 /nfs/dbraw/zinc/98/91/83/448989183.db2.gz TVDGKKGDSSGSIY-OALUTQOASA-N 1 3 341.540 1.514 20 0 EDADHO Cn1cc(-c2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cn1 ZINC000530242939 449092112 /nfs/dbraw/zinc/09/21/12/449092112.db2.gz VUWNJXFUBSXCHT-INIZCTEOSA-N 1 3 345.447 1.666 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCN(C)CC1 ZINC000595633814 449092214 /nfs/dbraw/zinc/09/22/14/449092214.db2.gz ADOQIQKLWWUGNN-CQSZACIVSA-N 1 3 342.553 1.986 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCN(C)CC1 ZINC000595633814 449092217 /nfs/dbraw/zinc/09/22/17/449092217.db2.gz ADOQIQKLWWUGNN-CQSZACIVSA-N 1 3 342.553 1.986 20 0 EDADHO CN(C)C(=O)c1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243711 449092418 /nfs/dbraw/zinc/09/24/18/449092418.db2.gz XRGFJEKJQDBQJI-IBGZPJMESA-N 1 3 345.487 1.979 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C2)CC1 ZINC000601975427 449256521 /nfs/dbraw/zinc/25/65/21/449256521.db2.gz PEKXAAVLADFQSR-LNLFQRSKSA-N 1 3 334.508 1.003 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H](Nc2cc(N3CCNCC3)cc[nH+]2)[C@H]1C ZINC000602020500 449279534 /nfs/dbraw/zinc/27/95/34/449279534.db2.gz KNWSDDFMVYJGQQ-DZKIICNBSA-N 1 3 332.448 1.881 20 0 EDADHO NC(=O)NC(=O)CC[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000596064014 449342424 /nfs/dbraw/zinc/34/24/24/449342424.db2.gz AICCINDHBYQJQT-INIZCTEOSA-N 1 3 344.459 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064014 449342427 /nfs/dbraw/zinc/34/24/27/449342427.db2.gz AICCINDHBYQJQT-INIZCTEOSA-N 1 3 344.459 1.463 20 0 EDADHO NC(=O)NC(=O)CCNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064014 449342432 /nfs/dbraw/zinc/34/24/32/449342432.db2.gz AICCINDHBYQJQT-INIZCTEOSA-N 1 3 344.459 1.463 20 0 EDADHO C[NH+](C)C1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000605401531 449373607 /nfs/dbraw/zinc/37/36/07/449373607.db2.gz ZJMNARAWLFSGBY-LJQANCHMSA-N 1 3 331.460 1.176 20 0 EDADHO O=C(NCC12CCC[NH+]1CCC2)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000614226944 449515855 /nfs/dbraw/zinc/51/58/55/449515855.db2.gz MNONGJKFSWVQCD-FQEVSTJZSA-N 1 3 343.471 1.368 20 0 EDADHO C[C@@H]1CCCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000602468062 449613837 /nfs/dbraw/zinc/61/38/37/449613837.db2.gz JCFCJEUIEJXVBY-SWHMAYCHSA-N 1 3 343.537 1.114 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@](C)(O)Cc1ccccc1 ZINC000617505717 449653916 /nfs/dbraw/zinc/65/39/16/449653916.db2.gz NKPIKZWVKXKPCX-QFBILLFUSA-N 1 3 335.492 1.368 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@](C)(O)Cc1ccccc1 ZINC000617505717 449653917 /nfs/dbraw/zinc/65/39/17/449653917.db2.gz NKPIKZWVKXKPCX-QFBILLFUSA-N 1 3 335.492 1.368 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612489439 449738184 /nfs/dbraw/zinc/73/81/84/449738184.db2.gz SUOUOLVVGKKJAQ-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)NC2CCN(CCO)CC2)([NH+](C)C)C1 ZINC000601270422 449789691 /nfs/dbraw/zinc/78/96/91/449789691.db2.gz QXIBGKIVWQQQPM-CRAIPNDOSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601243549 449769714 /nfs/dbraw/zinc/76/97/14/449769714.db2.gz QJNRCJMDFNXNBA-IYBDPMFKSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601243549 449769722 /nfs/dbraw/zinc/76/97/22/449769722.db2.gz QJNRCJMDFNXNBA-IYBDPMFKSA-N 1 3 340.512 1.110 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612874919 449921617 /nfs/dbraw/zinc/92/16/17/449921617.db2.gz HYDWVVCLEHNUEA-GOSISDBHSA-N 1 3 334.464 1.221 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(COC4)C3)CC2)CC1 ZINC000620288035 450465302 /nfs/dbraw/zinc/46/53/02/450465302.db2.gz AEWOUOBSTXONHM-UHFFFAOYSA-N 1 3 335.492 1.432 20 0 EDADHO CCN(CCN1C(=O)CN(C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063863 450566384 /nfs/dbraw/zinc/56/63/84/450566384.db2.gz SZZJQPUYJFJYAQ-UHFFFAOYSA-N 1 3 332.448 1.464 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOC(C)C)CC2)CC[N@@H+]1C ZINC000631610294 450676957 /nfs/dbraw/zinc/67/69/57/450676957.db2.gz WBELNWBMINGIMF-DLBZAZTESA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCOC(C)C)CC2)CC[N@H+]1C ZINC000631610294 450676963 /nfs/dbraw/zinc/67/69/63/450676963.db2.gz WBELNWBMINGIMF-DLBZAZTESA-N 1 3 325.497 1.722 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCC(C)(C)[NH+](C)C)ccc2[nH]c1=O ZINC000635110935 450657233 /nfs/dbraw/zinc/65/72/33/450657233.db2.gz CHNKRGGMWOPPRR-UHFFFAOYSA-N 1 3 347.463 1.374 20 0 EDADHO C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984329 450660247 /nfs/dbraw/zinc/66/02/47/450660247.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 1 3 327.436 1.186 20 0 EDADHO C[C@@H]1C[C@@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984329 450660251 /nfs/dbraw/zinc/66/02/51/450660251.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 1 3 327.436 1.186 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000633074377 450660465 /nfs/dbraw/zinc/66/04/65/450660465.db2.gz CAZPNJBLYGGMQC-QGZVFWFLSA-N 1 3 342.553 1.940 20 0 EDADHO COc1ccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1F ZINC000629652699 450772374 /nfs/dbraw/zinc/77/23/74/450772374.db2.gz CTUITJDQHRSKQY-ZDUSSCGKSA-N 1 3 337.439 1.856 20 0 EDADHO c1cc2n(n1)CCC[C@H]2NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000631809749 450789933 /nfs/dbraw/zinc/78/99/33/450789933.db2.gz SOXXUFXKVRJVEV-QGZVFWFLSA-N 1 3 333.480 1.104 20 0 EDADHO O[C@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000624336852 450798190 /nfs/dbraw/zinc/79/81/90/450798190.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624336852 450798197 /nfs/dbraw/zinc/79/81/97/450798197.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624336852 450798202 /nfs/dbraw/zinc/79/82/02/450798202.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 1 3 329.488 1.838 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890764 450987615 /nfs/dbraw/zinc/98/76/15/450987615.db2.gz SCIBVWIUCMVGEH-HIFRSBDPSA-N 1 3 332.448 1.252 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1CN(C)C ZINC000626892886 450989614 /nfs/dbraw/zinc/98/96/14/450989614.db2.gz IXLUXUDMKHGKCY-CZUORRHYSA-N 1 3 332.448 1.252 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCOCC2)N(C)C)cc1 ZINC000626922388 451005982 /nfs/dbraw/zinc/00/59/82/451005982.db2.gz VPTSADBOFBPIRM-QGZVFWFLSA-N 1 3 348.491 1.659 20 0 EDADHO C[C@H](CCNS(=O)(=O)CCCN(C)C)[N@H+](C)Cc1ccccc1 ZINC000632059874 451008920 /nfs/dbraw/zinc/00/89/20/451008920.db2.gz WONQGRDIRBXKTM-MRXNPFEDSA-N 1 3 341.521 1.768 20 0 EDADHO C[C@H](CCNS(=O)(=O)CCCN(C)C)[N@@H+](C)Cc1ccccc1 ZINC000632059874 451008925 /nfs/dbraw/zinc/00/89/25/451008925.db2.gz WONQGRDIRBXKTM-MRXNPFEDSA-N 1 3 341.521 1.768 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000626930673 451013681 /nfs/dbraw/zinc/01/36/81/451013681.db2.gz GBZRLCSQFDNSLO-UHFFFAOYSA-N 1 3 348.491 1.358 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000635527336 451024330 /nfs/dbraw/zinc/02/43/30/451024330.db2.gz HCFDPQLTGRUCDY-KSZLIROESA-N 1 3 330.476 1.998 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])N2CCCC2)cc1 ZINC000626957399 451034853 /nfs/dbraw/zinc/03/48/53/451034853.db2.gz QBIZRUXBEKDFKO-GOSISDBHSA-N 1 3 348.491 1.749 20 0 EDADHO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H](c1ccccc1)N(C)C ZINC000627033828 451093298 /nfs/dbraw/zinc/09/32/98/451093298.db2.gz VTHRHGSTICBIPT-ZBFHGGJFSA-N 1 3 334.464 1.485 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635639356 451128194 /nfs/dbraw/zinc/12/81/94/451128194.db2.gz GEQMPLXUQGHIAI-MSOLQXFVSA-N 1 3 337.508 1.963 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115430 451131875 /nfs/dbraw/zinc/13/18/75/451131875.db2.gz ASFXGKOEHHVMLO-FRRDWIJNSA-N 1 3 336.402 1.639 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255196 451145865 /nfs/dbraw/zinc/14/58/65/451145865.db2.gz MIIJSRCOYLNASK-HZPDHXFCSA-N 1 3 331.526 1.512 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627148864 451147419 /nfs/dbraw/zinc/14/74/19/451147419.db2.gz NGAWJHOQZRJNNU-UHFFFAOYSA-N 1 3 326.485 1.402 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000627162161 451156572 /nfs/dbraw/zinc/15/65/72/451156572.db2.gz GBBOSBOVEZFPTI-ZWKOTPCHSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331323 451202966 /nfs/dbraw/zinc/20/29/66/451202966.db2.gz KDUVDJWALUIFAN-CVEARBPZSA-N 1 3 329.510 1.361 20 0 EDADHO O=C(CN1CCNCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638086520 451251327 /nfs/dbraw/zinc/25/13/27/451251327.db2.gz SVEKJQRZMGKHLR-UHFFFAOYSA-N 1 3 344.503 1.584 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638101075 451267770 /nfs/dbraw/zinc/26/77/70/451267770.db2.gz SNXJIEBOUWNSRR-ZHALLVOQSA-N 1 3 346.519 1.825 20 0 EDADHO O=S(=O)(CCCN1CCCC1)NCCCCC[NH+]1CCCC1 ZINC000632371737 451232049 /nfs/dbraw/zinc/23/20/49/451232049.db2.gz MTJVDZAVPJTWSG-UHFFFAOYSA-N 1 3 331.526 1.658 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1 ZINC000638125576 451296133 /nfs/dbraw/zinc/29/61/33/451296133.db2.gz FNXJJBWJTXEUPQ-LNLFQRSKSA-N 1 3 331.460 1.486 20 0 EDADHO CC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000638136861 451310085 /nfs/dbraw/zinc/31/00/85/451310085.db2.gz NYIRGCIAMVERHS-MRXNPFEDSA-N 1 3 332.492 1.438 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000638156396 451327303 /nfs/dbraw/zinc/32/73/03/451327303.db2.gz RSJZTLGNRKSRSW-INIZCTEOSA-N 1 3 326.400 1.244 20 0 EDADHO CC1(C)CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCN1 ZINC000638270010 451389411 /nfs/dbraw/zinc/38/94/11/451389411.db2.gz DDYGIUNRFRMUQO-UHFFFAOYSA-N 1 3 344.503 1.580 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636648164 451382665 /nfs/dbraw/zinc/38/26/65/451382665.db2.gz QTTJHAODOMAIIA-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638261861 451385465 /nfs/dbraw/zinc/38/54/65/451385465.db2.gz IDQBRHABFZXMQQ-QRVBRYPASA-N 1 3 344.503 1.294 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628751492 451398996 /nfs/dbraw/zinc/39/89/96/451398996.db2.gz RPOYTVPWMOAOQN-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000628751492 451398999 /nfs/dbraw/zinc/39/89/99/451398999.db2.gz RPOYTVPWMOAOQN-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO COC[C@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCCN1 ZINC000638289903 451406236 /nfs/dbraw/zinc/40/62/36/451406236.db2.gz VYPIMSDPMUTQRI-IBGZPJMESA-N 1 3 346.475 1.573 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CCCOC1 ZINC000638289558 451406426 /nfs/dbraw/zinc/40/64/26/451406426.db2.gz SNZSMXYSSSVUAB-SFHVURJKSA-N 1 3 332.448 1.170 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc2[nH]c1=O ZINC000638334266 451439726 /nfs/dbraw/zinc/43/97/26/451439726.db2.gz AFTAFXJUXJCOSA-HNNXBMFYSA-N 1 3 347.463 1.407 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638425300 451507970 /nfs/dbraw/zinc/50/79/70/451507970.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 1 3 334.464 1.287 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638425300 451507978 /nfs/dbraw/zinc/50/79/78/451507978.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 1 3 334.464 1.287 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638425300 451507986 /nfs/dbraw/zinc/50/79/86/451507986.db2.gz FBMNFQILJOFIPT-OAHLLOKOSA-N 1 3 334.464 1.287 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000638526180 451558911 /nfs/dbraw/zinc/55/89/11/451558911.db2.gz GKRRQTAIWIJRCW-QFBILLFUSA-N 1 3 344.459 1.306 20 0 EDADHO Cn1nc2c(c1CNC1CC[NH+](C3CCN(C)CC3)CC1)CCCC2 ZINC000631056886 451559093 /nfs/dbraw/zinc/55/90/93/451559093.db2.gz OPIOXICLTKQJCF-UHFFFAOYSA-N 1 3 345.535 1.947 20 0 EDADHO CC[NH+]1CCC(CNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631064383 451564414 /nfs/dbraw/zinc/56/44/14/451564414.db2.gz RPUNYJDJBYIOCY-UHFFFAOYSA-N 1 3 345.896 1.809 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000638572144 451583751 /nfs/dbraw/zinc/58/37/51/451583751.db2.gz VGKVRSQWIZWBPI-RBUKOAKNSA-N 1 3 344.503 1.764 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000638727045 451668046 /nfs/dbraw/zinc/66/80/46/451668046.db2.gz DAOYVYVDBBXMTQ-IAGOWNOFSA-N 1 3 335.492 1.620 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956021 451668207 /nfs/dbraw/zinc/66/82/07/451668207.db2.gz SQSQRBCUNIJREJ-KBPBESRZSA-N 1 3 344.381 1.758 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cn2)CC1 ZINC000632961928 451670924 /nfs/dbraw/zinc/67/09/24/451670924.db2.gz WREWYPZBGZKVJQ-LBPRGKRZSA-N 1 3 330.383 1.254 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)[C@H](CN)c3ccc(F)cc3)cn2)CC1 ZINC000638977171 451744432 /nfs/dbraw/zinc/74/44/32/451744432.db2.gz IVZKIJLROQRSMX-QGZVFWFLSA-N 1 3 345.422 1.970 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004677 451751363 /nfs/dbraw/zinc/75/13/63/451751363.db2.gz IVRDTDJRVGIXOR-XBMUEBEBSA-N 1 3 345.487 1.972 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006338 451751587 /nfs/dbraw/zinc/75/15/87/451751587.db2.gz VXJLROZJPRUNRE-JKSUJKDBSA-N 1 3 337.414 1.930 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000637266035 451774340 /nfs/dbraw/zinc/77/43/40/451774340.db2.gz VCFGCEJJOGINND-LSDHHAIUSA-N 1 3 336.484 1.289 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCCn2nccc21 ZINC000637266035 451774342 /nfs/dbraw/zinc/77/43/42/451774342.db2.gz VCFGCEJJOGINND-LSDHHAIUSA-N 1 3 336.484 1.289 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000637266448 451774989 /nfs/dbraw/zinc/77/49/89/451774989.db2.gz YGAMZQCWWUHJRC-GVRJEKJASA-N 1 3 328.501 1.370 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@@H]1C ZINC000637266448 451774992 /nfs/dbraw/zinc/77/49/92/451774992.db2.gz YGAMZQCWWUHJRC-GVRJEKJASA-N 1 3 328.501 1.370 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)NCc1ccncc1OCCC[NH+](C)C ZINC000639186051 451788019 /nfs/dbraw/zinc/78/80/19/451788019.db2.gz XWXZPYUJQYZWCQ-NVXWUHKLSA-N 1 3 348.491 1.949 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000639206172 451791739 /nfs/dbraw/zinc/79/17/39/451791739.db2.gz NLXPJLIGPOPVGP-HZPDHXFCSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000639206171 451791760 /nfs/dbraw/zinc/79/17/60/451791760.db2.gz NLXPJLIGPOPVGP-HOTGVXAUSA-N 1 3 338.496 1.016 20 0 EDADHO COCC[N@H+](C)CC[C@H](NCC1(O)CCOCC1)c1ccccc1 ZINC000644546225 451853396 /nfs/dbraw/zinc/85/33/96/451853396.db2.gz BBBVLQBIFRLEMS-SFHVURJKSA-N 1 3 336.476 1.827 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NCC1(O)CCOCC1)c1ccccc1 ZINC000644546225 451853397 /nfs/dbraw/zinc/85/33/97/451853397.db2.gz BBBVLQBIFRLEMS-SFHVURJKSA-N 1 3 336.476 1.827 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601520 451887549 /nfs/dbraw/zinc/88/75/49/451887549.db2.gz RTHYWPWUDAXOPL-IPMKNSEASA-N 1 3 336.451 1.697 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)N(C)C)cc1 ZINC000649278488 451949688 /nfs/dbraw/zinc/94/96/88/451949688.db2.gz HRGJSVZKIMRMOV-IEBWSBKVSA-N 1 3 333.476 1.737 20 0 EDADHO COCCC1(C(=O)Nc2cccc(OCCN(C)C)c2)CC[NH2+]CC1 ZINC000649287844 451960742 /nfs/dbraw/zinc/96/07/42/451960742.db2.gz CAGJXLLQALOLST-UHFFFAOYSA-N 1 3 349.475 1.972 20 0 EDADHO COCCC1(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000649292998 451969798 /nfs/dbraw/zinc/96/97/98/451969798.db2.gz SSRNPXVOYOWMQY-HZPDHXFCSA-N 1 3 325.497 1.772 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649295997 451970494 /nfs/dbraw/zinc/97/04/94/451970494.db2.gz PUCNTUJOINWJAB-QAPCUYQASA-N 1 3 331.460 1.957 20 0 EDADHO COc1cc(CNC(=O)[C@H](N)CC(C)C)ccc1OCC[NH+](C)C ZINC000649301966 451977860 /nfs/dbraw/zinc/97/78/60/451977860.db2.gz BMXKFEOWILNIDV-OAHLLOKOSA-N 1 3 337.464 1.625 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303974 451979216 /nfs/dbraw/zinc/97/92/16/451979216.db2.gz WOTZFGLGRRJTQZ-OALUTQOASA-N 1 3 345.487 1.812 20 0 EDADHO COCCC1(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306852 451983575 /nfs/dbraw/zinc/98/35/75/451983575.db2.gz TVUCZLRZHGBDNT-JKSUJKDBSA-N 1 3 325.497 1.629 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637667314 452010482 /nfs/dbraw/zinc/01/04/82/452010482.db2.gz CIFOAMADNMBQLC-HNNXBMFYSA-N 1 3 348.495 1.955 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637667314 452010489 /nfs/dbraw/zinc/01/04/89/452010489.db2.gz CIFOAMADNMBQLC-HNNXBMFYSA-N 1 3 348.495 1.955 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000649330075 452011292 /nfs/dbraw/zinc/01/12/92/452011292.db2.gz UXWGQPLXQAMQMG-SJLPKXTDSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000649330075 452011300 /nfs/dbraw/zinc/01/13/00/452011300.db2.gz UXWGQPLXQAMQMG-SJLPKXTDSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336684 452017624 /nfs/dbraw/zinc/01/76/24/452017624.db2.gz MPMZBYXFTGJDOJ-BPQIPLTHSA-N 1 3 331.460 1.249 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342873 452022699 /nfs/dbraw/zinc/02/26/99/452022699.db2.gz VBMBLQULWDJXMU-MJGOQNOKSA-N 1 3 331.460 1.488 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351386 452035278 /nfs/dbraw/zinc/03/52/78/452035278.db2.gz SHEPRAFLEJHZSF-QRQLOZEOSA-N 1 3 342.487 1.455 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647179662 452108752 /nfs/dbraw/zinc/10/87/52/452108752.db2.gz KDKNHNLGNONTLZ-KRWDZBQOSA-N 1 3 342.491 1.631 20 0 EDADHO C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC[C@H]1[NH3+] ZINC000637846783 452112801 /nfs/dbraw/zinc/11/28/01/452112801.db2.gz DIEOFFVXNJGUEY-GXTWGEPZSA-N 1 3 345.447 1.113 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000654004037 452199105 /nfs/dbraw/zinc/19/91/05/452199105.db2.gz AKQJWDJTWLILJD-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645218718 452216962 /nfs/dbraw/zinc/21/69/62/452216962.db2.gz GMXCYKRWSZWPDI-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N2CCOC3(CCN(C)CC3)C2)CC1 ZINC000645324603 452302660 /nfs/dbraw/zinc/30/26/60/452302660.db2.gz CCKZPRSAPTXBMX-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761011 452336202 /nfs/dbraw/zinc/33/62/02/452336202.db2.gz UZRSHFHORRPOHD-NEPJUHHUSA-N 1 3 326.407 1.899 20 0 EDADHO C[C@H](CC(F)(F)F)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761011 452336204 /nfs/dbraw/zinc/33/62/04/452336204.db2.gz UZRSHFHORRPOHD-NEPJUHHUSA-N 1 3 326.407 1.899 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000641851840 452326548 /nfs/dbraw/zinc/32/65/48/452326548.db2.gz BKNSDHVGNAMUHH-SHTZXODSSA-N 1 3 326.485 1.162 20 0 EDADHO CO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665761083 452334961 /nfs/dbraw/zinc/33/49/61/452334961.db2.gz WKGOWZACHISEPC-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CO[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665761083 452334966 /nfs/dbraw/zinc/33/49/66/452334966.db2.gz WKGOWZACHISEPC-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1c(C(F)(F)F)cnn1C ZINC000657573780 452342616 /nfs/dbraw/zinc/34/26/16/452342616.db2.gz UDIWONAFPBZBNV-LBPRGKRZSA-N 1 3 335.418 1.801 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000665763758 452347461 /nfs/dbraw/zinc/34/74/61/452347461.db2.gz LCCRFMRQQRSHTE-ZFWWWQNUSA-N 1 3 332.439 1.699 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(CC2(F)F)C1 ZINC000665763758 452347467 /nfs/dbraw/zinc/34/74/67/452347467.db2.gz LCCRFMRQQRSHTE-ZFWWWQNUSA-N 1 3 332.439 1.699 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000665764126 452347529 /nfs/dbraw/zinc/34/75/29/452347529.db2.gz VOPHKUSZDNKACC-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCC[C@H](CO)C1 ZINC000665764126 452347538 /nfs/dbraw/zinc/34/75/38/452347538.db2.gz VOPHKUSZDNKACC-JYJNAYRXSA-N 1 3 328.501 1.109 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000652163817 452359282 /nfs/dbraw/zinc/35/92/82/452359282.db2.gz YUQGVRVGRKYWRF-QGZVFWFLSA-N 1 3 336.505 1.643 20 0 EDADHO CCC[NH2+]CCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659525485 452388024 /nfs/dbraw/zinc/38/80/24/452388024.db2.gz SOHBGVQJUDTDLW-KRWDZBQOSA-N 1 3 334.464 1.052 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C[C@H]1C[NH3+] ZINC000652196316 452393730 /nfs/dbraw/zinc/39/37/30/452393730.db2.gz OXRWLCVMHABKIJ-IXDOHACOSA-N 1 3 340.512 1.502 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659536656 452396651 /nfs/dbraw/zinc/39/66/51/452396651.db2.gz ISETVADXQFUWPX-MAUKXSAKSA-N 1 3 345.491 1.591 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000654351275 452400722 /nfs/dbraw/zinc/40/07/22/452400722.db2.gz DZRMXVXEKWOACY-FGTMMUONSA-N 1 3 332.492 1.799 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616138 452474124 /nfs/dbraw/zinc/47/41/24/452474124.db2.gz RXRYPABOINFLHJ-UHFFFAOYSA-N 1 3 330.476 1.948 20 0 EDADHO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345476 452518627 /nfs/dbraw/zinc/51/86/27/452518627.db2.gz CKMALHVSCJAZFT-OTWHNJEPSA-N 1 3 345.487 1.863 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345522 452518722 /nfs/dbraw/zinc/51/87/22/452518722.db2.gz DFWJENRLFSVJKR-FLXSYLCISA-N 1 3 337.508 1.709 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)ccc1C[NH+](C)C ZINC000663881475 452605699 /nfs/dbraw/zinc/60/56/99/452605699.db2.gz CRCQILFGCMIAGB-NVXWUHKLSA-N 1 3 344.459 1.158 20 0 EDADHO [NH3+]C[C@H](NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655911444 452668495 /nfs/dbraw/zinc/66/84/95/452668495.db2.gz JJHDBRWRVMFZJF-KGLIPLIRSA-N 1 3 344.381 1.840 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000661947060 452703477 /nfs/dbraw/zinc/70/34/77/452703477.db2.gz FCMXMXZKFKXVMW-OAHLLOKOSA-N 1 3 347.463 1.406 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000661947060 452703482 /nfs/dbraw/zinc/70/34/82/452703482.db2.gz FCMXMXZKFKXVMW-OAHLLOKOSA-N 1 3 347.463 1.406 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000648153004 452864858 /nfs/dbraw/zinc/86/48/58/452864858.db2.gz WZFPEIJPRKIHAO-QGZVFWFLSA-N 1 3 331.460 1.097 20 0 EDADHO CC[N@H+](CCCNC(=O)[C@H]1CN2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917828 /nfs/dbraw/zinc/91/78/28/452917828.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO CC[N@@H+](CCCNC(=O)[C@H]1CN2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917840 /nfs/dbraw/zinc/91/78/40/452917840.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 1 3 336.524 1.537 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000656198167 452955428 /nfs/dbraw/zinc/95/54/28/452955428.db2.gz IJGHNFCOZIEHMD-YRXWBPOGSA-N 1 3 342.487 1.445 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN)c2)CCCCCC1 ZINC000666605723 453003929 /nfs/dbraw/zinc/00/39/29/453003929.db2.gz FFULDFFSESLUSQ-UHFFFAOYSA-N 1 3 346.475 1.855 20 0 EDADHO CC(C)(CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCCCC1 ZINC000666603329 453004354 /nfs/dbraw/zinc/00/43/54/453004354.db2.gz FTJHWXPYVUXZMX-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284568 453009209 /nfs/dbraw/zinc/00/92/09/453009209.db2.gz NLQJCNHSTUMOGG-ZNMIVQPWSA-N 1 3 336.484 1.331 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCC[C@H](C)C1 ZINC000666627439 453020145 /nfs/dbraw/zinc/02/01/45/453020145.db2.gz QLASCDXXYLPQFX-UONOGXRCSA-N 1 3 332.448 1.320 20 0 EDADHO COCCOCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327267 453045047 /nfs/dbraw/zinc/04/50/47/453045047.db2.gz LMMKICAFHKZLLD-UHFFFAOYSA-N 1 3 336.480 1.719 20 0 EDADHO COCCOCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327267 453045055 /nfs/dbraw/zinc/04/50/55/453045055.db2.gz LMMKICAFHKZLLD-UHFFFAOYSA-N 1 3 336.480 1.719 20 0 EDADHO c1c([C@H]2CCCN(CCOCC3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338977 453055121 /nfs/dbraw/zinc/05/51/21/453055121.db2.gz YGDIOHFEWONHOD-INIZCTEOSA-N 1 3 333.480 1.425 20 0 EDADHO CN(CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662356716 453070806 /nfs/dbraw/zinc/07/08/06/453070806.db2.gz UOGWYHZFMNYLSM-MRXNPFEDSA-N 1 3 341.459 1.739 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666757521 453122026 /nfs/dbraw/zinc/12/20/26/453122026.db2.gz ACRJGECRUPAPRB-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000666770520 453134156 /nfs/dbraw/zinc/13/41/56/453134156.db2.gz GOTKDWQKZRMOAX-KRWDZBQOSA-N 1 3 344.459 1.335 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1CN(C2CCCCC2)C1 ZINC000655027931 453151041 /nfs/dbraw/zinc/15/10/41/453151041.db2.gz GZIRMCKZIHCNHF-QYZOEREBSA-N 1 3 349.519 1.961 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666830563 453174095 /nfs/dbraw/zinc/17/40/95/453174095.db2.gz AGSVVJMJCJZIPC-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000666831395 453176459 /nfs/dbraw/zinc/17/64/59/453176459.db2.gz BVQDAZAANYINLH-ZFWWWQNUSA-N 1 3 338.427 1.791 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[N@@H+]1C ZINC000648755799 453238143 /nfs/dbraw/zinc/23/81/43/453238143.db2.gz VYRHLAUGKPXFLO-TZMCWYRMSA-N 1 3 346.431 1.435 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[N@H+]1C ZINC000648755799 453238151 /nfs/dbraw/zinc/23/81/51/453238151.db2.gz VYRHLAUGKPXFLO-TZMCWYRMSA-N 1 3 346.431 1.435 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000653109945 453296091 /nfs/dbraw/zinc/29/60/91/453296091.db2.gz SEUQHGKOVOIKMB-QGZVFWFLSA-N 1 3 332.492 1.219 20 0 EDADHO CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000666978708 453299476 /nfs/dbraw/zinc/29/94/76/453299476.db2.gz BYYHMCVQRCWZDC-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000666978708 453299483 /nfs/dbraw/zinc/29/94/83/453299483.db2.gz BYYHMCVQRCWZDC-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613388 453332312 /nfs/dbraw/zinc/33/23/12/453332312.db2.gz FADZOCSTURRAIG-OAHLLOKOSA-N 1 3 341.521 1.089 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662636265 453351220 /nfs/dbraw/zinc/35/12/20/453351220.db2.gz AWSLRFZVRORDAM-RTBURBONSA-N 1 3 342.487 1.940 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000662659081 453370809 /nfs/dbraw/zinc/37/08/09/453370809.db2.gz OBRGQLWRZVWNGU-MRXNPFEDSA-N 1 3 334.464 1.695 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694765 453416019 /nfs/dbraw/zinc/41/60/19/453416019.db2.gz CJJNRKRDEHRKTD-BZUAXINKSA-N 1 3 348.495 1.443 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)[C@@H]3C)cc2)CC1 ZINC000646475993 453423433 /nfs/dbraw/zinc/42/34/33/453423433.db2.gz MORYJCUOGDAMMT-QFBILLFUSA-N 1 3 344.503 1.993 20 0 EDADHO CCO[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246923 453431482 /nfs/dbraw/zinc/43/14/82/453431482.db2.gz DLIZIZDXJWGHQV-RCCFBDPRSA-N 1 3 346.475 1.116 20 0 EDADHO [NH3+][C@@H](CCC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662708595 453432418 /nfs/dbraw/zinc/43/24/18/453432418.db2.gz NIPNNNVNLCICOL-MSOLQXFVSA-N 1 3 331.460 1.836 20 0 EDADHO C[N@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000660592681 453434520 /nfs/dbraw/zinc/43/45/20/453434520.db2.gz URWLBNAPCLKLGU-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CCCC1 ZINC000660592681 453434527 /nfs/dbraw/zinc/43/45/27/453434527.db2.gz URWLBNAPCLKLGU-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000667151429 453440386 /nfs/dbraw/zinc/44/03/86/453440386.db2.gz KMYFREOSZQNHQD-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000667151429 453440393 /nfs/dbraw/zinc/44/03/93/453440393.db2.gz KMYFREOSZQNHQD-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746623 453477196 /nfs/dbraw/zinc/47/71/96/453477196.db2.gz VFMSJUJSFUNOGE-VYDXJSESSA-N 1 3 348.495 1.395 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1CN(C)C ZINC000667266447 453526252 /nfs/dbraw/zinc/52/62/52/453526252.db2.gz YDDAFKMXTHTVIU-INIZCTEOSA-N 1 3 332.448 1.253 20 0 EDADHO Cc1cc(CN)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662821288 453551206 /nfs/dbraw/zinc/55/12/06/453551206.db2.gz XSQVPPQKKISHQL-OAHLLOKOSA-N 1 3 328.420 1.612 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3c2CNC3)C1 ZINC000662831897 453558166 /nfs/dbraw/zinc/55/81/66/453558166.db2.gz SPOZIGCLRXGDOH-FHLIZLRMSA-N 1 3 329.444 1.791 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000662867433 453579648 /nfs/dbraw/zinc/57/96/48/453579648.db2.gz LJPVCNPZTPJIRJ-RTBURBONSA-N 1 3 344.503 1.276 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cnc2c(c1)CNCC2 ZINC000659018133 453582675 /nfs/dbraw/zinc/58/26/75/453582675.db2.gz FCBSLBSFTOISRQ-AWEZNQCLSA-N 1 3 331.464 1.969 20 0 EDADHO C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853215 453610421 /nfs/dbraw/zinc/61/04/21/453610421.db2.gz SBIYBTZEZNPAHL-RHSMWYFYSA-N 1 3 338.496 1.269 20 0 EDADHO CC[C@@H](C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)N(CC)CC ZINC000662942492 453618274 /nfs/dbraw/zinc/61/82/74/453618274.db2.gz IKUMYNKPROWAIA-INIZCTEOSA-N 1 3 340.512 1.214 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972709 453630716 /nfs/dbraw/zinc/63/07/16/453630716.db2.gz RFBUIFQNFSJXQQ-SQGPQFPESA-N 1 3 349.519 1.757 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C2(N)Cc3ccccc3C2)CCO1 ZINC000662971650 453630856 /nfs/dbraw/zinc/63/08/56/453630856.db2.gz CSVCZKQVNFOYCM-QGZVFWFLSA-N 1 3 331.460 1.052 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cccc2[C@H]1C ZINC000665637212 453777745 /nfs/dbraw/zinc/77/77/45/453777745.db2.gz YARYMDPNJFLCID-JKSUJKDBSA-N 1 3 335.496 1.846 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cccc2[C@H]1C ZINC000665637212 453777749 /nfs/dbraw/zinc/77/77/49/453777749.db2.gz YARYMDPNJFLCID-JKSUJKDBSA-N 1 3 335.496 1.846 20 0 EDADHO COc1cccc(C2([NH2+]C[C@@H]3CCCN(C(=O)CN)C3)CCC2)c1 ZINC000663502177 453811558 /nfs/dbraw/zinc/81/15/58/453811558.db2.gz DHDSBKSIMYGYEG-HNNXBMFYSA-N 1 3 331.460 1.861 20 0 EDADHO CC(C)C[C@H]([NH3+])CN1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512948 453813435 /nfs/dbraw/zinc/81/34/35/453813435.db2.gz HXGBFEYGABJRSA-CVEARBPZSA-N 1 3 334.512 1.372 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746312 486740546 /nfs/dbraw/zinc/74/05/46/486740546.db2.gz KRBWHJXGBHXFPZ-OCCSQVGLSA-N 1 3 346.431 1.771 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H]2CCCOC2)CC1 ZINC000676405013 486758888 /nfs/dbraw/zinc/75/88/88/486758888.db2.gz GKQNBDGIJSMATO-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687314 486762233 /nfs/dbraw/zinc/76/22/33/486762233.db2.gz KQKAOGRCLAKMIO-GOEBONIOSA-N 1 3 334.468 1.535 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416978612 486790534 /nfs/dbraw/zinc/79/05/34/486790534.db2.gz VXUYWAOITLPWJI-CVEARBPZSA-N 1 3 334.464 1.696 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000667793501 486967567 /nfs/dbraw/zinc/96/75/67/486967567.db2.gz CSADMIUMXPSZDI-MRXNPFEDSA-N 1 3 329.448 1.819 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812805 486978139 /nfs/dbraw/zinc/97/81/39/486978139.db2.gz XIYUNAXLKMOVPF-INIZCTEOSA-N 1 3 348.491 1.969 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812805 486978142 /nfs/dbraw/zinc/97/81/42/486978142.db2.gz XIYUNAXLKMOVPF-INIZCTEOSA-N 1 3 348.491 1.969 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000667822600 486982930 /nfs/dbraw/zinc/98/29/30/486982930.db2.gz NZQWCQHWKNTTQP-MJGOQNOKSA-N 1 3 330.476 1.751 20 0 EDADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000673531367 487050058 /nfs/dbraw/zinc/05/00/58/487050058.db2.gz RFTLEPUCRMPRCN-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO COC1CCN(CCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000674326445 487238088 /nfs/dbraw/zinc/23/80/88/487238088.db2.gz BQRIDTLCELIHSY-IYBDPMFKSA-N 1 3 340.512 1.659 20 0 EDADHO COC1CCN(CCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000674326445 487238090 /nfs/dbraw/zinc/23/80/90/487238090.db2.gz BQRIDTLCELIHSY-IYBDPMFKSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H]1C[C@@H](N2CCOCC2)CN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441695 487275286 /nfs/dbraw/zinc/27/52/86/487275286.db2.gz LGYQVLUGWFHGOP-PKOBYXMFSA-N 1 3 347.503 1.922 20 0 EDADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2n1 ZINC000685540434 487293422 /nfs/dbraw/zinc/29/34/22/487293422.db2.gz DAADIAAAQZMAOJ-UHFFFAOYSA-N 1 3 343.475 1.922 20 0 EDADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000678601382 487340484 /nfs/dbraw/zinc/34/04/84/487340484.db2.gz OOBMSKOHIFUILD-FRQCXROJSA-N 1 3 335.492 1.997 20 0 EDADHO O[C@H](C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)CN1CCCC1 ZINC000678895845 487376834 /nfs/dbraw/zinc/37/68/34/487376834.db2.gz UBXAWPQFBAWZFY-VQIMIIECSA-N 1 3 332.444 1.955 20 0 EDADHO CN(CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407332 487422895 /nfs/dbraw/zinc/42/28/95/487422895.db2.gz KISZDYOESLTDMF-SFHVURJKSA-N 1 3 346.475 1.621 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CCO1 ZINC000669552594 485546378 /nfs/dbraw/zinc/54/63/78/485546378.db2.gz CHBSHYLOFMBRKN-BFYDXBDKSA-N 1 3 334.464 1.265 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561089 485568682 /nfs/dbraw/zinc/56/86/82/485568682.db2.gz FYXVOBNSWSRUDW-FZCLSBEQSA-N 1 3 346.475 1.265 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347617 485996073 /nfs/dbraw/zinc/99/60/73/485996073.db2.gz WJTYJILAHLLAJW-NVXWUHKLSA-N 1 3 333.480 1.012 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000353436298 486106575 /nfs/dbraw/zinc/10/65/75/486106575.db2.gz XTFACZIEZIBFSA-XYVMCAHJSA-N 1 3 337.508 1.628 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000669426286 486146516 /nfs/dbraw/zinc/14/65/16/486146516.db2.gz BVODVJVPGLIILS-IAGOWNOFSA-N 1 3 346.475 1.378 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669426256 486146863 /nfs/dbraw/zinc/14/68/63/486146863.db2.gz PNBOMNUEMQJCFT-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO CC1(C)CN(C2(CNC(=O)NC/C=C/C[NH3+])CCCCC2)CCO1 ZINC000669470862 486222787 /nfs/dbraw/zinc/22/27/87/486222787.db2.gz RZXFQUOFZGDWQP-VOTSOKGWSA-N 1 3 338.496 1.614 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000683377302 491012827 /nfs/dbraw/zinc/01/28/27/491012827.db2.gz ZKSXXBALSSKWQF-IRXDYDNUSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000173919081 533999673 /nfs/dbraw/zinc/99/96/73/533999673.db2.gz QURXGRLKDZWAAF-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000173919081 533999685 /nfs/dbraw/zinc/99/96/85/533999685.db2.gz QURXGRLKDZWAAF-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO CC(C)C[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262164178 535315781 /nfs/dbraw/zinc/31/57/81/535315781.db2.gz VNNYOJXNEYBQEV-IBGZPJMESA-N 1 3 346.519 1.684 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1(C)C ZINC000262294789 535438050 /nfs/dbraw/zinc/43/80/50/535438050.db2.gz WKZAFAJZVXVUKK-WFXMFSGNSA-N 1 3 331.460 1.472 20 0 EDADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000237085061 535848148 /nfs/dbraw/zinc/84/81/48/535848148.db2.gz BQCDLXWFNQLYSS-MAUKXSAKSA-N 1 3 332.492 1.424 20 0 EDADHO CCc1noc(C)c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660021 535876697 /nfs/dbraw/zinc/87/66/97/535876697.db2.gz BDBZMIGTFMMSEE-WMLDXEAASA-N 1 3 334.464 1.626 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262674250 535889628 /nfs/dbraw/zinc/88/96/28/535889628.db2.gz QRMTVZDAQROCQU-DLBZAZTESA-N 1 3 346.475 1.112 20 0 EDADHO C[NH+](C)CCOc1ccc(CCN[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000271661252 535903945 /nfs/dbraw/zinc/90/39/45/535903945.db2.gz DIZYBOJLDOCZLB-MRXNPFEDSA-N 1 3 340.489 1.336 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262433777 536109231 /nfs/dbraw/zinc/10/92/31/536109231.db2.gz GBWUEPPOZGWWKU-AWEZNQCLSA-N 1 3 325.478 1.498 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790222 /nfs/dbraw/zinc/79/02/22/536790222.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 1 3 342.528 1.620 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790227 /nfs/dbraw/zinc/79/02/27/536790227.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 1 3 342.528 1.620 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)Cc1ccccn1 ZINC000730437629 578648393 /nfs/dbraw/zinc/64/83/93/578648393.db2.gz ZFKVRUHXPDAOEP-KRWDZBQOSA-N 1 3 349.548 1.804 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)N(CCN(C)C)Cc1ccccn1 ZINC000730437629 578648395 /nfs/dbraw/zinc/64/83/95/578648395.db2.gz ZFKVRUHXPDAOEP-KRWDZBQOSA-N 1 3 349.548 1.804 20 0 EDADHO CN(C)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000760558934 580033682 /nfs/dbraw/zinc/03/36/82/580033682.db2.gz FJAAYDMYVZSZFA-SFHVURJKSA-N 1 3 345.487 1.878 20 0 EDADHO CN(C)C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000760558934 580033683 /nfs/dbraw/zinc/03/36/83/580033683.db2.gz FJAAYDMYVZSZFA-SFHVURJKSA-N 1 3 345.487 1.878 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C(C)C ZINC000734667327 578828586 /nfs/dbraw/zinc/82/85/86/578828586.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)C(C)C ZINC000734667327 578828588 /nfs/dbraw/zinc/82/85/88/578828588.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H](CNC(=O)NCCCCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000737036832 579042515 /nfs/dbraw/zinc/04/25/15/579042515.db2.gz MCERPMKDPPFDET-QGZVFWFLSA-N 1 3 339.528 1.188 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](CCCN3CCOC3=O)CC2)CC1 ZINC000761126080 580049097 /nfs/dbraw/zinc/04/90/97/580049097.db2.gz QHBWONSREIYTCF-UHFFFAOYSA-N 1 3 338.496 1.319 20 0 EDADHO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC[C@H](O)C[NH+]1CCCC1 ZINC000749325435 579721812 /nfs/dbraw/zinc/72/18/12/579721812.db2.gz TXUOCEXDWSCHII-MAUKXSAKSA-N 1 3 343.512 1.972 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN(C)C ZINC000749829013 579741432 /nfs/dbraw/zinc/74/14/32/579741432.db2.gz KQWTVBGLINDFDT-RDJZCZTQSA-N 1 3 334.533 1.923 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN(C)C ZINC000749829013 579741433 /nfs/dbraw/zinc/74/14/33/579741433.db2.gz KQWTVBGLINDFDT-RDJZCZTQSA-N 1 3 334.533 1.923 20 0 EDADHO Cc1cc(C)n2c(CNCCC[N@H+]3CCCN(C)CC3)cnc2n1 ZINC000771945321 580299185 /nfs/dbraw/zinc/29/91/85/580299185.db2.gz IOXFHJCJYKUXJF-UHFFFAOYSA-N 1 3 330.480 1.463 20 0 EDADHO Cc1cc(C)n2c(CNCCC[N@@H+]3CCCN(C)CC3)cnc2n1 ZINC000771945321 580299186 /nfs/dbraw/zinc/29/91/86/580299186.db2.gz IOXFHJCJYKUXJF-UHFFFAOYSA-N 1 3 330.480 1.463 20 0 EDADHO CCCCCCN(C)CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000799742578 581035775 /nfs/dbraw/zinc/03/57/75/581035775.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 1 3 326.529 1.641 20 0 EDADHO CCCCCCN(C)CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000799742578 581035776 /nfs/dbraw/zinc/03/57/76/581035776.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 1 3 326.529 1.641 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000801577869 581080547 /nfs/dbraw/zinc/08/05/47/581080547.db2.gz SAYMBCSOPARPOD-MAUKXSAKSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000801577869 581080548 /nfs/dbraw/zinc/08/05/48/581080548.db2.gz SAYMBCSOPARPOD-MAUKXSAKSA-N 1 3 341.496 1.680 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000891816030 590634628 /nfs/dbraw/zinc/63/46/28/590634628.db2.gz JLRBZZFKADCJBM-INIZCTEOSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000891816030 590634631 /nfs/dbraw/zinc/63/46/31/590634631.db2.gz JLRBZZFKADCJBM-INIZCTEOSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000893190998 590702881 /nfs/dbraw/zinc/70/28/81/590702881.db2.gz HRYOXIVJMINQDN-INIZCTEOSA-N 1 3 344.503 1.869 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000893190998 590702884 /nfs/dbraw/zinc/70/28/84/590702884.db2.gz HRYOXIVJMINQDN-INIZCTEOSA-N 1 3 344.503 1.869 20 0 EDADHO N[C@H](CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000892031269 590759798 /nfs/dbraw/zinc/75/97/98/590759798.db2.gz UHINNTJXAKOOEX-QZTJIDSGSA-N 1 3 326.444 1.946 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892168999 590839563 /nfs/dbraw/zinc/83/95/63/590839563.db2.gz HUWMOFSEZYWBGR-BZSNNMDCSA-N 1 3 330.476 1.996 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000892211729 590865251 /nfs/dbraw/zinc/86/52/51/590865251.db2.gz MDBFWCDPNBGBQZ-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000892211729 590865252 /nfs/dbraw/zinc/86/52/52/590865252.db2.gz MDBFWCDPNBGBQZ-SJLPKXTDSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C(C)(C)C[NH+](C)C ZINC000893549694 590954028 /nfs/dbraw/zinc/95/40/28/590954028.db2.gz ZIAISUVKKMUTDC-XHSDSOJGSA-N 1 3 340.512 1.203 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892346419 590975748 /nfs/dbraw/zinc/97/57/48/590975748.db2.gz QTASDIFAOYBQFF-UHFFFAOYSA-N 1 3 334.464 1.052 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)N2CCCC2)cc1 ZINC000891458872 591078196 /nfs/dbraw/zinc/07/81/96/591078196.db2.gz GHXVDNJKEWOBEL-BZSNNMDCSA-N 1 3 328.460 1.888 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000891521951 591105696 /nfs/dbraw/zinc/10/56/96/591105696.db2.gz FRJIFVOYFQSMIC-SJORKVTESA-N 1 3 338.496 1.100 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCC1(C)C ZINC000892791095 591177507 /nfs/dbraw/zinc/17/75/07/591177507.db2.gz KFXNXKWVJUUJEV-QGZVFWFLSA-N 1 3 330.476 1.827 20 0 EDADHO C[N@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CCC1(C)C ZINC000892791095 591177509 /nfs/dbraw/zinc/17/75/09/591177509.db2.gz KFXNXKWVJUUJEV-QGZVFWFLSA-N 1 3 330.476 1.827 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891674327 591179482 /nfs/dbraw/zinc/17/94/82/591179482.db2.gz WXCKEARFFHFPGJ-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000892809243 591188898 /nfs/dbraw/zinc/18/88/98/591188898.db2.gz UMGSOWQFXYGEOF-MOPGFXCFSA-N 1 3 342.487 1.971 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891748507 591209501 /nfs/dbraw/zinc/20/95/01/591209501.db2.gz RSAVPYUOQCINFT-ROUUACIJSA-N 1 3 343.475 1.834 20 0 EDADHO OCc1c[nH+]ccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000891769772 591218899 /nfs/dbraw/zinc/21/88/99/591218899.db2.gz MGMSNJVLLQGDJT-UHFFFAOYSA-N 1 3 340.471 1.616 20 0 EDADHO COC(=O)[C@H]1[C@H](CNCc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190743 591223247 /nfs/dbraw/zinc/22/32/47/591223247.db2.gz WYHLFSMXVLAQKL-LSDHHAIUSA-N 1 3 342.386 1.771 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 ZINC000892924305 591226381 /nfs/dbraw/zinc/22/63/81/591226381.db2.gz UUTMKYNZCORUQA-INIZCTEOSA-N 1 3 337.512 1.022 20 0 EDADHO CN(C)Cc1ccc(C[NH2+][C@H]2CCN(C)C2)c2c1OC(F)(F)O2 ZINC000894236541 591240313 /nfs/dbraw/zinc/24/03/13/591240313.db2.gz AWEJZRJLAQQNGE-ZDUSSCGKSA-N 1 3 327.375 1.863 20 0 EDADHO COCCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000894453645 591314499 /nfs/dbraw/zinc/31/44/99/591314499.db2.gz IUMAGNABEJLNAL-UHFFFAOYSA-N 1 3 339.480 1.763 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000898594892 591427536 /nfs/dbraw/zinc/42/75/36/591427536.db2.gz VQDDXSRQDOCQKM-UHFFFAOYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000894883708 591455894 /nfs/dbraw/zinc/45/58/94/591455894.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000894883708 591455899 /nfs/dbraw/zinc/45/58/99/591455899.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 1 3 342.487 1.852 20 0 EDADHO CSC1(CNC(=O)NCCN2CC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000894951914 591497992 /nfs/dbraw/zinc/49/79/92/591497992.db2.gz YAQNYCLUIOADTO-CQSZACIVSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515139 591515586 /nfs/dbraw/zinc/51/55/86/591515586.db2.gz JRTUQYPIPQXKCO-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000896625126 591552835 /nfs/dbraw/zinc/55/28/35/591552835.db2.gz UONQUHLRIFHAMY-UHFFFAOYSA-N 1 3 335.492 1.432 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896987972 591705203 /nfs/dbraw/zinc/70/52/03/591705203.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896987972 591705204 /nfs/dbraw/zinc/70/52/04/591705204.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000896987972 591705207 /nfs/dbraw/zinc/70/52/07/591705207.db2.gz HKCIOJHVEWOQDU-IRXDYDNUSA-N 1 3 336.524 1.486 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899601357 591866767 /nfs/dbraw/zinc/86/67/67/591866767.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899601357 591866773 /nfs/dbraw/zinc/86/67/73/591866773.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899601359 591866871 /nfs/dbraw/zinc/86/68/71/591866871.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCN1C1CCOCC1 ZINC000899601359 591866875 /nfs/dbraw/zinc/86/68/75/591866875.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 1 3 340.537 1.188 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368772 591894025 /nfs/dbraw/zinc/89/40/25/591894025.db2.gz PZBVGBOYVFIGLZ-GRYCIOLGSA-N 1 3 325.844 1.487 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368772 591894028 /nfs/dbraw/zinc/89/40/28/591894028.db2.gz PZBVGBOYVFIGLZ-GRYCIOLGSA-N 1 3 325.844 1.487 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316700 591976825 /nfs/dbraw/zinc/97/68/25/591976825.db2.gz BXQZDLZJRKOXJS-HUUCEWRRSA-N 1 3 330.476 1.732 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000902363865 591986953 /nfs/dbraw/zinc/98/69/53/591986953.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 1 3 331.504 1.773 20 0 EDADHO C[C@@H](CCCC[NH3+])N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455401 591999392 /nfs/dbraw/zinc/99/93/92/591999392.db2.gz LTGBAWBRNSMKIN-CABZTGNLSA-N 1 3 341.253 1.814 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417455 592013338 /nfs/dbraw/zinc/01/33/38/592013338.db2.gz NTAKPHSQKAQIAI-IBGZPJMESA-N 1 3 337.508 1.604 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000900426053 592014965 /nfs/dbraw/zinc/01/49/65/592014965.db2.gz YWNOBAWBZKLJOO-GOSISDBHSA-N 1 3 325.497 1.414 20 0 EDADHO N=C(NOCc1ccn(C2CCCC2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809115 592067921 /nfs/dbraw/zinc/06/79/21/592067921.db2.gz ANORLDQXCORTKR-JKSUJKDBSA-N 1 3 333.436 1.860 20 0 EDADHO N=C(NOCc1ccn(C2CCCC2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809115 592067923 /nfs/dbraw/zinc/06/79/23/592067923.db2.gz ANORLDQXCORTKR-JKSUJKDBSA-N 1 3 333.436 1.860 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900615312 592071828 /nfs/dbraw/zinc/07/18/28/592071828.db2.gz VJUDYSZVPZFVHN-QZTJIDSGSA-N 1 3 330.476 1.989 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900615312 592071829 /nfs/dbraw/zinc/07/18/29/592071829.db2.gz VJUDYSZVPZFVHN-QZTJIDSGSA-N 1 3 330.476 1.989 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112777 592123002 /nfs/dbraw/zinc/12/30/02/592123002.db2.gz QKDHBTAGSZOGDD-JZSTXODBSA-N 1 3 334.504 1.869 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000900801416 592142243 /nfs/dbraw/zinc/14/22/43/592142243.db2.gz QSJQMOHNYGPULK-ZWKOTPCHSA-N 1 3 338.540 1.734 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CCN2CCN(C(C)C)CC2)C[C@@H]1C ZINC000900801416 592142246 /nfs/dbraw/zinc/14/22/46/592142246.db2.gz QSJQMOHNYGPULK-ZWKOTPCHSA-N 1 3 338.540 1.734 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000900853285 592147841 /nfs/dbraw/zinc/14/78/41/592147841.db2.gz MBDFBPDKVDCICL-MRXNPFEDSA-N 1 3 333.480 1.393 20 0 EDADHO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C ZINC000903496268 592187612 /nfs/dbraw/zinc/18/76/12/592187612.db2.gz HPUXLISIMOEOIM-HUUCEWRRSA-N 1 3 332.448 1.868 20 0 EDADHO CC(C)(C)c1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)no1 ZINC000903510937 592190498 /nfs/dbraw/zinc/19/04/98/592190498.db2.gz VCKMPXDPIHIQBF-GASCZTMLSA-N 1 3 333.480 1.768 20 0 EDADHO CC(C)(C)c1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)no1 ZINC000903510937 592190499 /nfs/dbraw/zinc/19/04/99/592190499.db2.gz VCKMPXDPIHIQBF-GASCZTMLSA-N 1 3 333.480 1.768 20 0 EDADHO NCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000906649292 592233859 /nfs/dbraw/zinc/23/38/59/592233859.db2.gz BUALCXCTFKHIFX-CQSZACIVSA-N 1 3 330.432 1.028 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649249 592234098 /nfs/dbraw/zinc/23/40/98/592234098.db2.gz BDJHKDQTNRSCJJ-OAHLLOKOSA-N 1 3 332.448 1.419 20 0 EDADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000906651701 592235979 /nfs/dbraw/zinc/23/59/79/592235979.db2.gz UVMKNTUFUKVWOH-UHFFFAOYSA-N 1 3 344.459 1.561 20 0 EDADHO Cn1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(-c2ccncc2)n1 ZINC000904392542 592243117 /nfs/dbraw/zinc/24/31/17/592243117.db2.gz SNGYXPGJOLSVQZ-QGZVFWFLSA-N 1 3 341.459 1.812 20 0 EDADHO CCc1noc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904428206 592254089 /nfs/dbraw/zinc/25/40/89/592254089.db2.gz GOQZRZCZUZRGJD-MCIONIFRSA-N 1 3 335.452 1.055 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](CN)Cc3cnn(C)c3C)[C@H]2C1 ZINC000904474547 592268503 /nfs/dbraw/zinc/26/85/03/592268503.db2.gz VJKBQDRWRYRNJX-VJDWVQAOSA-N 1 3 334.464 1.023 20 0 EDADHO O=C1CCCCN1CC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733236 592280811 /nfs/dbraw/zinc/28/08/11/592280811.db2.gz JBSDVKBOKGBLOA-GOSISDBHSA-N 1 3 349.519 1.870 20 0 EDADHO c1csc(N2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738119 592300708 /nfs/dbraw/zinc/30/07/08/592300708.db2.gz XXQUAICTFDQLNZ-OAHLLOKOSA-N 1 3 336.505 1.814 20 0 EDADHO C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCN(CC2CCOCC2)CC1 ZINC000903740388 592303587 /nfs/dbraw/zinc/30/35/87/592303587.db2.gz VINUOACZLDABOL-GOSISDBHSA-N 1 3 337.508 1.189 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764824 592321286 /nfs/dbraw/zinc/32/12/86/592321286.db2.gz JCSVYWHXAMZYMA-LJQANCHMSA-N 1 3 344.459 1.084 20 0 EDADHO CCCNC(=O)[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889642 592350955 /nfs/dbraw/zinc/35/09/55/592350955.db2.gz UUGZWUGSMRFVOT-CVEARBPZSA-N 1 3 335.496 1.084 20 0 EDADHO COc1ccc(CC[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)cc1OC ZINC000903926451 592380628 /nfs/dbraw/zinc/38/06/28/592380628.db2.gz SGPCDZVPYRBALB-MRXNPFEDSA-N 1 3 346.475 1.695 20 0 EDADHO COc1ccc(CCNC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903926451 592380634 /nfs/dbraw/zinc/38/06/34/592380634.db2.gz SGPCDZVPYRBALB-MRXNPFEDSA-N 1 3 346.475 1.695 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNc2ccc([C@@H]3CNCCO3)cc2)cnn1C ZINC000903932700 592384896 /nfs/dbraw/zinc/38/48/96/592384896.db2.gz FLGMRXFAFAVOKS-KXBFYZLASA-N 1 3 343.475 1.619 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000905027256 592385839 /nfs/dbraw/zinc/38/58/39/592385839.db2.gz QCEIULMFSPVUQV-SFHVURJKSA-N 1 3 334.460 1.274 20 0 EDADHO COc1cccc2c1OC[C@@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937185 592387834 /nfs/dbraw/zinc/38/78/34/592387834.db2.gz DMJAFFOKFCWGTB-LSDHHAIUSA-N 1 3 343.431 1.305 20 0 EDADHO CCN(C)c1ccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903977334 592399847 /nfs/dbraw/zinc/39/98/47/592399847.db2.gz PDTZRGWTHBKQNA-DAYGRLMNSA-N 1 3 332.448 1.250 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905069118 592401734 /nfs/dbraw/zinc/40/17/34/592401734.db2.gz CDDQEROFJDYDGX-MOPGFXCFSA-N 1 3 340.508 1.523 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905143598 592435744 /nfs/dbraw/zinc/43/57/44/592435744.db2.gz CMUXPJHOOCHMDP-SFHVURJKSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(O)CCC1 ZINC000905143598 592435748 /nfs/dbraw/zinc/43/57/48/592435748.db2.gz CMUXPJHOOCHMDP-SFHVURJKSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905147039 592437655 /nfs/dbraw/zinc/43/76/55/592437655.db2.gz PFNNVYJNYXTYKM-MSOLQXFVSA-N 1 3 326.481 1.276 20 0 EDADHO O[C@H](C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000905173445 592453815 /nfs/dbraw/zinc/45/38/15/592453815.db2.gz HKQXCVPUZLTQKB-ZGXWSNOMSA-N 1 3 348.487 1.438 20 0 EDADHO OCC1(C[C@H](O)CNC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000905176005 592455577 /nfs/dbraw/zinc/45/55/77/592455577.db2.gz PLFCHYBARRBDLH-OKZBNKHCSA-N 1 3 340.508 1.258 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2)[C@H]1C(C)C ZINC000905504038 592546726 /nfs/dbraw/zinc/54/67/26/592546726.db2.gz VUCFZZWWOOQGEJ-JARUQAPTSA-N 1 3 338.414 1.759 20 0 EDADHO CN1CCN([C@H]2CC[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000907385242 592620491 /nfs/dbraw/zinc/62/04/91/592620491.db2.gz PNGKLSUWMKDELS-RDGPPVDQSA-N 1 3 348.535 1.678 20 0 EDADHO CN1CCN([C@H]2CC[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)CC1 ZINC000907385242 592620494 /nfs/dbraw/zinc/62/04/94/592620494.db2.gz PNGKLSUWMKDELS-RDGPPVDQSA-N 1 3 348.535 1.678 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000907635193 592735314 /nfs/dbraw/zinc/73/53/14/592735314.db2.gz NMAHHRMPPBALSO-LJQANCHMSA-N 1 3 333.476 1.254 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000907921336 592846543 /nfs/dbraw/zinc/84/65/43/592846543.db2.gz KOYRQQVZNODCDQ-MRXNPFEDSA-N 1 3 346.475 1.861 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000907921336 592846544 /nfs/dbraw/zinc/84/65/44/592846544.db2.gz KOYRQQVZNODCDQ-MRXNPFEDSA-N 1 3 346.475 1.861 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1N(C)C ZINC000906658321 592865139 /nfs/dbraw/zinc/86/51/39/592865139.db2.gz XQXHRXHNRGAFII-IUODEOHRSA-N 1 3 332.448 1.227 20 0 EDADHO N[C@H]1CCc2cc(C(=O)N(C3CC3)C3CC[NH2+]CC3)ccc2NC1=O ZINC000911678722 592980271 /nfs/dbraw/zinc/98/02/71/592980271.db2.gz UTRCEWVROVIHHO-INIZCTEOSA-N 1 3 342.443 1.255 20 0 EDADHO N[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(F)c(F)cc1F ZINC000911703159 592991005 /nfs/dbraw/zinc/99/10/05/592991005.db2.gz CGWPQQHEOSKHFY-FKJOKYEKSA-N 1 3 341.377 1.763 20 0 EDADHO CN1CCC(N(CCO)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000911942668 593037072 /nfs/dbraw/zinc/03/70/72/593037072.db2.gz IHVDESZMNRIMHK-GOSISDBHSA-N 1 3 333.476 1.595 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138157 593194663 /nfs/dbraw/zinc/19/46/63/593194663.db2.gz RVIWMOGUSOVHLO-TZMCWYRMSA-N 1 3 336.867 1.899 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000806320270 593438760 /nfs/dbraw/zinc/43/87/60/593438760.db2.gz ZZRUGOAEVNGTSX-UHFFFAOYSA-N 1 3 336.484 1.784 20 0 EDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817935568 593650300 /nfs/dbraw/zinc/65/03/00/593650300.db2.gz IYINKYDCZWKGCF-GFCCVEGCSA-N 1 3 327.270 1.790 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(F)cn1 ZINC000818984491 593732132 /nfs/dbraw/zinc/73/21/32/593732132.db2.gz ISPNHPOLZOSNLT-KRWDZBQOSA-N 1 3 333.407 1.984 20 0 EDADHO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821625358 593887315 /nfs/dbraw/zinc/88/73/15/593887315.db2.gz LUTLKUYLGQPGDA-UHFFFAOYSA-N 1 3 335.481 1.045 20 0 EDADHO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821625358 593887317 /nfs/dbraw/zinc/88/73/17/593887317.db2.gz LUTLKUYLGQPGDA-UHFFFAOYSA-N 1 3 335.481 1.045 20 0 EDADHO COCc1nc2n(n1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000820823815 593898417 /nfs/dbraw/zinc/89/84/17/593898417.db2.gz PKESPQMYSJWCGJ-WYQXTGKHSA-N 1 3 331.464 1.487 20 0 EDADHO COCc1nc2n(n1)C[C@@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820823815 593898419 /nfs/dbraw/zinc/89/84/19/593898419.db2.gz PKESPQMYSJWCGJ-WYQXTGKHSA-N 1 3 331.464 1.487 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ccnn3C)CC2)CC1 ZINC000828915210 594529595 /nfs/dbraw/zinc/52/95/95/594529595.db2.gz NZWWXXDHVVLOII-OAHLLOKOSA-N 1 3 347.507 1.794 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1CN2CCN1CCC2 ZINC000826667969 594550525 /nfs/dbraw/zinc/55/05/25/594550525.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 1 3 334.508 1.290 20 0 EDADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)[C@H]1CN2CCN1CCC2 ZINC000826667969 594550526 /nfs/dbraw/zinc/55/05/26/594550526.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 1 3 334.508 1.290 20 0 EDADHO C[N@@H+]1CC[C@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658160 /nfs/dbraw/zinc/65/81/60/594658160.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 1 3 327.472 1.987 20 0 EDADHO C[N@H+]1CC[C@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658161 /nfs/dbraw/zinc/65/81/61/594658161.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 1 3 327.472 1.987 20 0 EDADHO C[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000827462340 594674631 /nfs/dbraw/zinc/67/46/31/594674631.db2.gz MZQKMSOCRUKQQG-ZACQAIPSSA-N 1 3 336.524 1.486 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000841100401 594850945 /nfs/dbraw/zinc/85/09/45/594850945.db2.gz XOVMZKYBZQQRAD-MJGOQNOKSA-N 1 3 347.459 1.269 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)NC[C@H]2NCCc3ccccc32)cn1 ZINC000841132832 594856532 /nfs/dbraw/zinc/85/65/32/594856532.db2.gz VFWQKDKBRBWSCS-QGZVFWFLSA-N 1 3 342.447 1.453 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841386213 594890994 /nfs/dbraw/zinc/89/09/94/594890994.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 1 3 343.471 1.414 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841386213 594890996 /nfs/dbraw/zinc/89/09/96/594890996.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 1 3 343.471 1.414 20 0 EDADHO COCC1(CNC(=O)NC[C@@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000841726937 594944128 /nfs/dbraw/zinc/94/41/28/594944128.db2.gz WDKCIBGWDUQLPI-OAHLLOKOSA-N 1 3 326.485 1.176 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000841791021 594953283 /nfs/dbraw/zinc/95/32/83/594953283.db2.gz LRNQGFNDGAXGQU-SJORKVTESA-N 1 3 338.496 1.461 20 0 EDADHO CN(CC(=O)Nc1ccc2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000843353797 595084737 /nfs/dbraw/zinc/08/47/37/595084737.db2.gz KFHRBEXXETVDGX-UHFFFAOYSA-N 1 3 333.432 1.988 20 0 EDADHO CN(CC(=O)NCCCN1CCCCCC1=O)C1CCC([NH3+])CC1 ZINC000843354712 595085508 /nfs/dbraw/zinc/08/55/08/595085508.db2.gz DJJPQUUWQZSUJN-UHFFFAOYSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843489508 595128103 /nfs/dbraw/zinc/12/81/03/595128103.db2.gz GCBFNWNBKOAQIS-NXHRZFHOSA-N 1 3 331.460 1.392 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccc3c(c2)COC3)C1)[C@@H]1CCC[NH2+]1 ZINC000843057059 595276453 /nfs/dbraw/zinc/27/64/53/595276453.db2.gz FWUVIICZEJKYSK-LPHOPBHVSA-N 1 3 343.471 1.797 20 0 EDADHO CN(C(=O)[C@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183148 595294942 /nfs/dbraw/zinc/29/49/42/595294942.db2.gz UJJKKQCPXJNBNR-OAHLLOKOSA-N 1 3 341.402 1.835 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000844188814 595297566 /nfs/dbraw/zinc/29/75/66/595297566.db2.gz CZOJKJNSCSQBJY-CABCVRRESA-N 1 3 333.432 1.111 20 0 EDADHO C[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000844189703 595297614 /nfs/dbraw/zinc/29/76/14/595297614.db2.gz SJSBFGXHKYFBON-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380548 /nfs/dbraw/zinc/38/05/48/595380548.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 1 3 348.535 1.981 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CN3C(=O)CC34CCCC4)CC2)CC1 ZINC000844709270 595380552 /nfs/dbraw/zinc/38/05/52/595380552.db2.gz YWTJMLOZFUZGIO-UHFFFAOYSA-N 1 3 348.535 1.981 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847406180 595412344 /nfs/dbraw/zinc/41/23/44/595412344.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 1 3 343.471 1.488 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000847406180 595412347 /nfs/dbraw/zinc/41/23/47/595412347.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 1 3 343.471 1.488 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCc2ccc(OC3CCN(C)CC3)cc2)CCO1 ZINC000849002531 595474009 /nfs/dbraw/zinc/47/40/09/595474009.db2.gz KOESKZLRDSIWER-OAHLLOKOSA-N 1 3 346.475 1.905 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495931 595550290 /nfs/dbraw/zinc/55/02/90/595550290.db2.gz GXQHVZKTDQSJOE-HYVNUMGLSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495931 595550294 /nfs/dbraw/zinc/55/02/94/595550294.db2.gz GXQHVZKTDQSJOE-HYVNUMGLSA-N 1 3 335.496 1.300 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852865910 595585732 /nfs/dbraw/zinc/58/57/32/595585732.db2.gz CADFYKHMKITKGN-XJKSGUPXSA-N 1 3 330.432 1.432 20 0 EDADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597254 595586549 /nfs/dbraw/zinc/58/65/49/595586549.db2.gz RQVFSHNTLAEKNR-MXASKKJJSA-N 1 3 333.480 1.006 20 0 EDADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)c1ccccn1 ZINC000853110219 595667161 /nfs/dbraw/zinc/66/71/61/595667161.db2.gz XDGZQWSHJVCEDV-QUCCMNQESA-N 1 3 341.455 1.862 20 0 EDADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)c1ccccn1 ZINC000853110219 595667162 /nfs/dbraw/zinc/66/71/62/595667162.db2.gz XDGZQWSHJVCEDV-QUCCMNQESA-N 1 3 341.455 1.862 20 0 EDADHO C[N@H+](C[C@@H](O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123227 595672679 /nfs/dbraw/zinc/67/26/79/595672679.db2.gz NQZZPKOGFYJSRO-DBQDNQAGSA-N 1 3 339.480 1.431 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123227 595672681 /nfs/dbraw/zinc/67/26/81/595672681.db2.gz NQZZPKOGFYJSRO-DBQDNQAGSA-N 1 3 339.480 1.431 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2oc1=O ZINC000855345966 595680238 /nfs/dbraw/zinc/68/02/38/595680238.db2.gz LHJGQMNTLDUCRC-AWEZNQCLSA-N 1 3 345.443 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2oc1=O ZINC000855345966 595680240 /nfs/dbraw/zinc/68/02/40/595680240.db2.gz LHJGQMNTLDUCRC-AWEZNQCLSA-N 1 3 345.443 1.795 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CSCCS1 ZINC000855346066 595680857 /nfs/dbraw/zinc/68/08/57/595680857.db2.gz NEWXTKNLEVPHKT-KBPBESRZSA-N 1 3 333.567 1.613 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CSCCS1 ZINC000855346066 595680861 /nfs/dbraw/zinc/68/08/61/595680861.db2.gz NEWXTKNLEVPHKT-KBPBESRZSA-N 1 3 333.567 1.613 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525904 595818797 /nfs/dbraw/zinc/81/87/97/595818797.db2.gz NVYOQAZOAGMPLM-XHSDSOJGSA-N 1 3 341.496 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525904 595818800 /nfs/dbraw/zinc/81/88/00/595818800.db2.gz NVYOQAZOAGMPLM-XHSDSOJGSA-N 1 3 341.496 1.942 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851677026 595880985 /nfs/dbraw/zinc/88/09/85/595880985.db2.gz RZFRGOGQCVGOPS-FUHWJXTLSA-N 1 3 336.480 1.025 20 0 EDADHO NC(=O)c1ccc(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000866666389 596285595 /nfs/dbraw/zinc/28/55/95/596285595.db2.gz OYXJJCIEHWCLCL-ZWKOTPCHSA-N 1 3 331.460 1.546 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(CCCc2cccc(F)c2)C1 ZINC000866714867 596306799 /nfs/dbraw/zinc/30/67/99/596306799.db2.gz ZFKRAZOLFLIZAN-ZACQAIPSSA-N 1 3 333.407 1.625 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000865177180 596501522 /nfs/dbraw/zinc/50/15/22/596501522.db2.gz AJVOVDVPQLRLGM-UHFFFAOYSA-N 1 3 329.448 1.642 20 0 EDADHO Cn1ncc2cc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cnc21 ZINC000865496346 596591459 /nfs/dbraw/zinc/59/14/59/596591459.db2.gz VIQSXBZUXXCXNG-IRXDYDNUSA-N 1 3 329.448 1.436 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746874 596668674 /nfs/dbraw/zinc/66/86/74/596668674.db2.gz QJHJWOQZTZSKFB-ZNMIVQPWSA-N 1 3 341.496 1.819 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746874 596668675 /nfs/dbraw/zinc/66/86/75/596668675.db2.gz QJHJWOQZTZSKFB-ZNMIVQPWSA-N 1 3 341.496 1.819 20 0 EDADHO C[C@@]1([NH3+])CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000868071713 596676352 /nfs/dbraw/zinc/67/63/52/596676352.db2.gz YRTQDNIBJQIZFZ-LJQANCHMSA-N 1 3 330.476 1.539 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000868185965 596715457 /nfs/dbraw/zinc/71/54/57/596715457.db2.gz DSNCFENYAFVQSC-LUKYLMHMSA-N 1 3 330.432 1.486 20 0 EDADHO CCOC(=O)N1CCN(C(=O)[C@H](C)N(C)CCCCCC[NH3+])CC1 ZINC000872158511 596817068 /nfs/dbraw/zinc/81/70/68/596817068.db2.gz VZIXTBOLGHRGTM-HNNXBMFYSA-N 1 3 342.484 1.127 20 0 EDADHO COCCCNC(=O)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158498 596817155 /nfs/dbraw/zinc/81/71/55/596817155.db2.gz VRSLZMLRBRPRTK-NVXWUHKLSA-N 1 3 325.497 1.759 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872284776 596867656 /nfs/dbraw/zinc/86/76/56/596867656.db2.gz OUGMCGIXRRRIEM-CVEARBPZSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000875712500 596956594 /nfs/dbraw/zinc/95/65/94/596956594.db2.gz FLTSNCBBSKIEQH-QAETUUGQSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000875712500 596956598 /nfs/dbraw/zinc/95/65/98/596956598.db2.gz FLTSNCBBSKIEQH-QAETUUGQSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@H]2CCC[C@@H]21 ZINC000873245344 597238134 /nfs/dbraw/zinc/23/81/34/597238134.db2.gz ZFHLTVZCUYETCF-QYZOEREBSA-N 1 3 340.475 1.688 20 0 EDADHO Cc1cc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)n(C2CCN(C)CC2)n1 ZINC000873312625 597253398 /nfs/dbraw/zinc/25/33/98/597253398.db2.gz RFJUNWOAVUCUIR-CRAIPNDOSA-N 1 3 346.479 1.864 20 0 EDADHO C[C@@H](NC(=O)C(=O)N1CCN(C)C(C)(C)CC1)C(C)(C)C[NH+](C)C ZINC000875273310 597363169 /nfs/dbraw/zinc/36/31/69/597363169.db2.gz MQPMMRDEFOERRG-CQSZACIVSA-N 1 3 340.512 1.022 20 0 EDADHO C[C@@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C(C)(C)C[NH+](C)C ZINC000875359886 597399252 /nfs/dbraw/zinc/39/92/52/597399252.db2.gz CLTGFGULBIGQDW-KGLIPLIRSA-N 1 3 328.501 1.107 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000877081556 597427841 /nfs/dbraw/zinc/42/78/41/597427841.db2.gz PPXMZVZVDYKJPD-CABCVRRESA-N 1 3 327.444 1.037 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281575 597485929 /nfs/dbraw/zinc/48/59/29/597485929.db2.gz IQGAJNUPUDNKCH-MOPGFXCFSA-N 1 3 342.487 1.552 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000878368652 597598044 /nfs/dbraw/zinc/59/80/44/597598044.db2.gz NANQRYTUYSJRGV-OAHLLOKOSA-N 1 3 341.459 1.733 20 0 EDADHO CCC[C@H](C)[C@@H]1CCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780444 597624931 /nfs/dbraw/zinc/62/49/31/597624931.db2.gz XUZJWKRPYKYILR-GJZGRUSLSA-N 1 3 336.480 1.861 20 0 EDADHO COCC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000884198125 598024859 /nfs/dbraw/zinc/02/48/59/598024859.db2.gz NTDHUPAYTPRKKH-MSOLQXFVSA-N 1 3 333.476 1.940 20 0 EDADHO COCC[C@H](N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000884324507 598067082 /nfs/dbraw/zinc/06/70/82/598067082.db2.gz RVZNBWSPLDLNDM-KRWDZBQOSA-N 1 3 334.464 1.519 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014321 699966955 /nfs/dbraw/zinc/96/69/55/699966955.db2.gz KTOJFYTXWODUGT-JKSUJKDBSA-N 1 3 346.475 1.986 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475680 701551492 /nfs/dbraw/zinc/55/14/92/701551492.db2.gz UQCWHGHKNKUQRV-UHFFFAOYSA-N 1 3 334.508 1.243 20 0 EDADHO CCc1noc(C)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055111 699115722 /nfs/dbraw/zinc/11/57/22/699115722.db2.gz UJTZBCHINWFQHX-FZKQIMNGSA-N 1 3 348.491 1.824 20 0 EDADHO C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1NCc1ccccn1 ZINC000939424591 699574209 /nfs/dbraw/zinc/57/42/09/699574209.db2.gz YEGBMYZUHRZLQZ-MAUKXSAKSA-N 1 3 346.475 1.129 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3cncn3C)C2)CC1 ZINC000939454372 699600961 /nfs/dbraw/zinc/60/09/61/699600961.db2.gz RJAXGFIXRDFHRA-QAPCUYQASA-N 1 3 347.507 1.477 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1ccc(F)cc1F ZINC000939544561 699686313 /nfs/dbraw/zinc/68/63/13/699686313.db2.gz KQXJGNJLGMKYIN-DYVFJYSZSA-N 1 3 349.425 1.997 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)CCCn2ccnc2C)CC1 ZINC000069574349 699712350 /nfs/dbraw/zinc/71/23/50/699712350.db2.gz XKEHVAAAEAVRFW-INIZCTEOSA-N 1 3 335.496 1.362 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003669 699888597 /nfs/dbraw/zinc/88/85/97/699888597.db2.gz BUVYQBUPEJHLPL-CVEARBPZSA-N 1 3 345.491 1.423 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)CCC1 ZINC000940149284 700282203 /nfs/dbraw/zinc/28/22/03/700282203.db2.gz IZXFTNUGZOQPEI-VQIMIIECSA-N 1 3 349.519 1.868 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)c(=O)c2)CC1)N(C)C ZINC000940176563 700309089 /nfs/dbraw/zinc/30/90/89/700309089.db2.gz LFZQZIABKXTSLR-MRXNPFEDSA-N 1 3 348.491 1.196 20 0 EDADHO Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000940179074 700312845 /nfs/dbraw/zinc/31/28/45/700312845.db2.gz QRYGYXBGAHOIEC-HNNXBMFYSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1nncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995054475 700416802 /nfs/dbraw/zinc/41/68/02/700416802.db2.gz LZRJNCRNGJYLPN-CABCVRRESA-N 1 3 348.495 1.064 20 0 EDADHO CC1([NH2+]Cc2ccc(CO)cc2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940356172 700517732 /nfs/dbraw/zinc/51/77/32/700517732.db2.gz LXFXNBFGOLLBBO-UHFFFAOYSA-N 1 3 342.443 1.615 20 0 EDADHO Cc1cc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)on1 ZINC000941220795 701411153 /nfs/dbraw/zinc/41/11/53/701411153.db2.gz HVGQGXHYXUTZKX-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408910 701521410 /nfs/dbraw/zinc/52/14/10/701521410.db2.gz YDNXVRKZJVXDMJ-ROUUACIJSA-N 1 3 348.535 1.345 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408910 701521412 /nfs/dbraw/zinc/52/14/12/701521412.db2.gz YDNXVRKZJVXDMJ-ROUUACIJSA-N 1 3 348.535 1.345 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999189227 706630911 /nfs/dbraw/zinc/63/09/11/706630911.db2.gz IQEJQPRJNUNSHK-XOKHGSTOSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC000999189227 706630912 /nfs/dbraw/zinc/63/09/12/706630912.db2.gz IQEJQPRJNUNSHK-XOKHGSTOSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189841 706632020 /nfs/dbraw/zinc/63/20/20/706632020.db2.gz NOBVNIGUGJFPES-BRWVUGGUSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189841 706632023 /nfs/dbraw/zinc/63/20/23/706632023.db2.gz NOBVNIGUGJFPES-BRWVUGGUSA-N 1 3 330.476 1.811 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205939 702111716 /nfs/dbraw/zinc/11/17/16/702111716.db2.gz MWWPHRUUIUJMJA-SFHVURJKSA-N 1 3 337.508 1.726 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)C1 ZINC001032182107 702184064 /nfs/dbraw/zinc/18/40/64/702184064.db2.gz FEAGRCHGMRILNT-KRWDZBQOSA-N 1 3 333.451 1.758 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)C1 ZINC001032182107 702184069 /nfs/dbraw/zinc/18/40/69/702184069.db2.gz FEAGRCHGMRILNT-KRWDZBQOSA-N 1 3 333.451 1.758 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995893694 702195320 /nfs/dbraw/zinc/19/53/20/702195320.db2.gz IRGXJSWRIGZPIK-IRXDYDNUSA-N 1 3 347.507 1.395 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889538 702229811 /nfs/dbraw/zinc/22/98/11/702229811.db2.gz WABGZDHZGFQKHO-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCc2cncn2C)C(C)(C)C1)[NH+](C)C ZINC000995928219 702258098 /nfs/dbraw/zinc/25/80/98/702258098.db2.gz SPTNAQVXRPVXEF-CVEARBPZSA-N 1 3 335.496 1.333 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000999211538 706664619 /nfs/dbraw/zinc/66/46/19/706664619.db2.gz ZOFBJYGGEPRADC-BHYGNILZSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)CC[N@H+]1C ZINC000999211538 706664623 /nfs/dbraw/zinc/66/46/23/706664623.db2.gz ZOFBJYGGEPRADC-BHYGNILZSA-N 1 3 333.480 1.231 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996139775 702568407 /nfs/dbraw/zinc/56/84/07/702568407.db2.gz ZPQVCZJESVJABJ-MRXNPFEDSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC000996478116 702809939 /nfs/dbraw/zinc/80/99/39/702809939.db2.gz PDXDLINRTJGFDV-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)on1 ZINC000996478116 702809943 /nfs/dbraw/zinc/80/99/43/702809943.db2.gz PDXDLINRTJGFDV-DOTOQJQBSA-N 1 3 346.475 1.938 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996559254 702877745 /nfs/dbraw/zinc/87/77/45/702877745.db2.gz DBQZVMNIDNZGIY-SFHVURJKSA-N 1 3 345.491 1.325 20 0 EDADHO Cc1ccncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614492 702919863 /nfs/dbraw/zinc/91/98/63/702919863.db2.gz NIURLPHPOHYSOD-NVXWUHKLSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1ccncc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614492 702919865 /nfs/dbraw/zinc/91/98/65/702919865.db2.gz NIURLPHPOHYSOD-NVXWUHKLSA-N 1 3 330.476 1.668 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623078 702928271 /nfs/dbraw/zinc/92/82/71/702928271.db2.gz UZOUCYYDFJSWQX-ZWKOTPCHSA-N 1 3 344.459 1.025 20 0 EDADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)CCO1 ZINC000996667014 702963932 /nfs/dbraw/zinc/96/39/32/702963932.db2.gz VTEYSVOBPSGVJU-CVEARBPZSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cnc(C)cn2)CC1)N(C)C ZINC000996713315 703008081 /nfs/dbraw/zinc/00/80/81/703008081.db2.gz TXRFQGTWUCSGJG-WMLDXEAASA-N 1 3 333.480 1.767 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)on1 ZINC000996723083 703018101 /nfs/dbraw/zinc/01/81/01/703018101.db2.gz SRGPTEVGAGBUBW-UHFFFAOYSA-N 1 3 346.475 1.940 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996823755 703113959 /nfs/dbraw/zinc/11/39/59/703113959.db2.gz WOZXVSHMCXFJJB-URSIVYNOSA-N 1 3 333.476 1.230 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996854452 703132908 /nfs/dbraw/zinc/13/29/08/703132908.db2.gz CQQBDQVPKSBAAP-SFHVURJKSA-N 1 3 346.475 1.938 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)CC1 ZINC000997115703 703369945 /nfs/dbraw/zinc/36/99/45/703369945.db2.gz PZULSQKHCUNKLS-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)O1 ZINC000997116030 703370250 /nfs/dbraw/zinc/37/02/50/703370250.db2.gz RNBGNEORYQYRDT-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCN1C ZINC000921531575 703391730 /nfs/dbraw/zinc/39/17/30/703391730.db2.gz KDVNMKIGFSJEKH-DZUCGIPZSA-N 1 3 338.496 1.146 20 0 EDADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001032409283 703438698 /nfs/dbraw/zinc/43/86/98/703438698.db2.gz IZZWFJIXCDDBTE-GQGLESIBSA-N 1 3 345.491 1.390 20 0 EDADHO Cc1cnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185819 703475049 /nfs/dbraw/zinc/47/50/49/703475049.db2.gz SEQHNOAVQKTPSU-CVEARBPZSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1cnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185819 703475051 /nfs/dbraw/zinc/47/50/51/703475051.db2.gz SEQHNOAVQKTPSU-CVEARBPZSA-N 1 3 345.491 1.768 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997368149 703604980 /nfs/dbraw/zinc/60/49/80/703604980.db2.gz QFDCDZZWHDZLDE-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004202061 703931864 /nfs/dbraw/zinc/93/18/64/703931864.db2.gz CHLWOOBYOMNKIS-OAHLLOKOSA-N 1 3 333.476 1.977 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000997831547 704749658 /nfs/dbraw/zinc/74/96/58/704749658.db2.gz VAKIJSYQOCFDRX-GOSISDBHSA-N 1 3 347.507 1.397 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CC1 ZINC000997832087 704750553 /nfs/dbraw/zinc/75/05/53/704750553.db2.gz YSHCHGVAAYZJIF-MSOLQXFVSA-N 1 3 337.508 1.724 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000997841305 704757815 /nfs/dbraw/zinc/75/78/15/704757815.db2.gz SPGIGNNAKZBEDY-QGZVFWFLSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000997841305 704757817 /nfs/dbraw/zinc/75/78/17/704757817.db2.gz SPGIGNNAKZBEDY-QGZVFWFLSA-N 1 3 347.507 1.623 20 0 EDADHO CN(C)c1ccncc1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998226375 705557283 /nfs/dbraw/zinc/55/72/83/705557283.db2.gz ZHOZHXNZMUUDTH-UHFFFAOYSA-N 1 3 344.419 1.173 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998274820 705657879 /nfs/dbraw/zinc/65/78/79/705657879.db2.gz WDLMLUIXRLSFKD-INIZCTEOSA-N 1 3 333.480 1.183 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998274820 705657883 /nfs/dbraw/zinc/65/78/83/705657883.db2.gz WDLMLUIXRLSFKD-INIZCTEOSA-N 1 3 333.480 1.183 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999051846 706472891 /nfs/dbraw/zinc/47/28/91/706472891.db2.gz STBOLAKOPFNPCI-UHFFFAOYSA-N 1 3 332.448 1.690 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146077 706559990 /nfs/dbraw/zinc/55/99/90/706559990.db2.gz UWKWGBGMXMIHDU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)N1CCCCC1 ZINC000999153673 706583409 /nfs/dbraw/zinc/58/34/09/706583409.db2.gz PMLKQANXMMENFO-INIZCTEOSA-N 1 3 348.495 1.123 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)s1 ZINC000999373827 706868479 /nfs/dbraw/zinc/86/84/79/706868479.db2.gz RIIGBMKJFHWRKI-HOCLYGCPSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CN[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370898 706884759 /nfs/dbraw/zinc/88/47/59/706884759.db2.gz LWCVTMPANOZCSG-GOEBONIOSA-N 1 3 336.505 1.872 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999401921 706909639 /nfs/dbraw/zinc/90/96/39/706909639.db2.gz AYPSDTCYIYZQAB-HPUBIQBYSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999401921 706909642 /nfs/dbraw/zinc/90/96/42/706909642.db2.gz AYPSDTCYIYZQAB-HPUBIQBYSA-N 1 3 346.475 1.511 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)N(C)C ZINC000999431799 706939428 /nfs/dbraw/zinc/93/94/28/706939428.db2.gz FEEWOQGSOZQHRY-QRVBRYPASA-N 1 3 347.503 1.887 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999474206 706983001 /nfs/dbraw/zinc/98/30/01/706983001.db2.gz SUFVNJQGTSKRLR-MKTAYPAQSA-N 1 3 346.406 1.404 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000999475373 706984082 /nfs/dbraw/zinc/98/40/82/706984082.db2.gz XWBPLRSTHYWATJ-LKSINWNRSA-N 1 3 326.391 1.967 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999505897 707003536 /nfs/dbraw/zinc/00/35/36/707003536.db2.gz MTVOLYOBLHNBSK-DQPZFDDXSA-N 1 3 348.495 1.157 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000999505897 707003538 /nfs/dbraw/zinc/00/35/38/707003538.db2.gz MTVOLYOBLHNBSK-DQPZFDDXSA-N 1 3 348.495 1.157 20 0 EDADHO C[C@@H](N[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558159 707055886 /nfs/dbraw/zinc/05/58/86/707055886.db2.gz SXGCKEJCDQTZTA-ZIAGYGMSSA-N 1 3 338.496 1.094 20 0 EDADHO C[C@@H](N[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558159 707055890 /nfs/dbraw/zinc/05/58/90/707055890.db2.gz SXGCKEJCDQTZTA-ZIAGYGMSSA-N 1 3 338.496 1.094 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC1 ZINC000999602268 707103902 /nfs/dbraw/zinc/10/39/02/707103902.db2.gz QTDWUBVGCPBWHN-UHFFFAOYSA-N 1 3 333.480 1.194 20 0 EDADHO Cc1cccnc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999682669 707168678 /nfs/dbraw/zinc/16/86/78/707168678.db2.gz RSFDIIDGIHNZJD-KLAILNCOSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1cccnc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999682669 707168683 /nfs/dbraw/zinc/16/86/83/707168683.db2.gz RSFDIIDGIHNZJD-KLAILNCOSA-N 1 3 330.476 1.811 20 0 EDADHO C[C@@H](NCc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926602 707668510 /nfs/dbraw/zinc/66/85/10/707668510.db2.gz MAWVXINHNDRSGM-QAPCUYQASA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946765088 707766665 /nfs/dbraw/zinc/76/66/65/707766665.db2.gz HXDMHHDZUNVSGQ-MWDXBVQZSA-N 1 3 325.497 1.124 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946765088 707766669 /nfs/dbraw/zinc/76/66/69/707766669.db2.gz HXDMHHDZUNVSGQ-MWDXBVQZSA-N 1 3 325.497 1.124 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582092 708264364 /nfs/dbraw/zinc/26/43/64/708264364.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 1 3 347.507 1.320 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582092 708264365 /nfs/dbraw/zinc/26/43/65/708264365.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 1 3 347.507 1.320 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(CCCO)C1 ZINC001034285294 709687738 /nfs/dbraw/zinc/68/77/38/709687738.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(CCCO)C1 ZINC001034285294 709687742 /nfs/dbraw/zinc/68/77/42/709687742.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397334 709938059 /nfs/dbraw/zinc/93/80/59/709938059.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 1 3 343.487 1.816 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397334 709938061 /nfs/dbraw/zinc/93/80/61/709938061.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 1 3 343.487 1.816 20 0 EDADHO COCCN1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444945 709989247 /nfs/dbraw/zinc/98/92/47/709989247.db2.gz NSBOHXGPEUGWNR-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)CC1 ZINC001034431824 709999949 /nfs/dbraw/zinc/99/99/49/709999949.db2.gz PCXRCLAYFBPXSZ-GOSISDBHSA-N 1 3 347.507 1.586 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034482119 710106506 /nfs/dbraw/zinc/10/65/06/710106506.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 1 3 339.524 1.994 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482119 710106510 /nfs/dbraw/zinc/10/65/10/710106510.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 1 3 339.524 1.994 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034647878 710323887 /nfs/dbraw/zinc/32/38/87/710323887.db2.gz AFDTZJNAMMOKBR-BQFCYCMXSA-N 1 3 346.475 1.842 20 0 EDADHO CO[C@H](C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1)C1CCC1 ZINC001003628479 710458190 /nfs/dbraw/zinc/45/81/90/710458190.db2.gz QKKGOXUDDDXPKB-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)o1 ZINC001034733839 710914457 /nfs/dbraw/zinc/91/44/57/710914457.db2.gz DVACGUBOKFCKCB-BPUTZDHNSA-N 1 3 334.464 1.842 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737824 710951138 /nfs/dbraw/zinc/95/11/38/710951138.db2.gz NOTDHDFWROVUSB-MBGYTDRXSA-N 1 3 345.491 1.500 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737824 710951141 /nfs/dbraw/zinc/95/11/41/710951141.db2.gz NOTDHDFWROVUSB-MBGYTDRXSA-N 1 3 345.491 1.500 20 0 EDADHO Cc1nc(C)c(CN[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001034777085 711055490 /nfs/dbraw/zinc/05/54/90/711055490.db2.gz FONXBAZYXOANGF-WKILWMFISA-N 1 3 346.475 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034786691 711091326 /nfs/dbraw/zinc/09/13/26/711091326.db2.gz RFNOBBRWOPRFEF-SHTZXODSSA-N 1 3 344.463 1.254 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792152 711118802 /nfs/dbraw/zinc/11/88/02/711118802.db2.gz GFMZAWJDVVNYMM-FAAHXZRKSA-N 1 3 334.468 1.143 20 0 EDADHO Cc1nnc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792152 711118805 /nfs/dbraw/zinc/11/88/05/711118805.db2.gz GFMZAWJDVVNYMM-FAAHXZRKSA-N 1 3 334.468 1.143 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)C1 ZINC001034830776 711236698 /nfs/dbraw/zinc/23/66/98/711236698.db2.gz DIMSFUPTRAIETC-LJQANCHMSA-N 1 3 338.455 1.939 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)C1 ZINC001034830776 711236703 /nfs/dbraw/zinc/23/67/03/711236703.db2.gz DIMSFUPTRAIETC-LJQANCHMSA-N 1 3 338.455 1.939 20 0 EDADHO C[NH+](C)C1(C(=O)N2CCC[C@@H]2CNCc2nnc(C3CC3)o2)CCC1 ZINC001034957360 711428345 /nfs/dbraw/zinc/42/83/45/711428345.db2.gz QCMPOBKLXBMAQE-CQSZACIVSA-N 1 3 347.463 1.512 20 0 EDADHO Cc1ncc(CC(=O)N2CCC[C@@H]2C[NH2+][C@@H](C)c2cnc(C)cn2)o1 ZINC001034957181 711428405 /nfs/dbraw/zinc/42/84/05/711428405.db2.gz LUIHRBCNBGDARB-DZGCQCFKSA-N 1 3 343.431 1.966 20 0 EDADHO COc1ncccc1CNC[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958839 711432663 /nfs/dbraw/zinc/43/26/63/711432663.db2.gz MLEUGCYKTTYJEZ-IAGOWNOFSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388797 711432716 /nfs/dbraw/zinc/43/27/16/711432716.db2.gz FYTUUKZXYQLHJC-VDERGJSUSA-N 1 3 325.478 1.721 20 0 EDADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388797 711432718 /nfs/dbraw/zinc/43/27/18/711432718.db2.gz FYTUUKZXYQLHJC-VDERGJSUSA-N 1 3 325.478 1.721 20 0 EDADHO COc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001034939826 711442736 /nfs/dbraw/zinc/44/27/36/711442736.db2.gz NIGYAXOKTGVGIU-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001034939826 711442737 /nfs/dbraw/zinc/44/27/37/711442737.db2.gz NIGYAXOKTGVGIU-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1noc(C)c1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802670 214070789 /nfs/dbraw/zinc/07/07/89/214070789.db2.gz GCPTUECGSPRGAN-UHFFFAOYSA-N 1 3 348.491 1.899 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440990670 539332233 /nfs/dbraw/zinc/33/22/33/539332233.db2.gz WRCCVDZJEOHFSH-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918511 305114578 /nfs/dbraw/zinc/11/45/78/305114578.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433918511 305114579 /nfs/dbraw/zinc/11/45/79/305114579.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000342972924 539768548 /nfs/dbraw/zinc/76/85/48/539768548.db2.gz ADAKSSNILLLRIA-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000342993907 539773184 /nfs/dbraw/zinc/77/31/84/539773184.db2.gz UIDKOQNVRYKJFM-HRCADAONSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441020912 305216699 /nfs/dbraw/zinc/21/66/99/305216699.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 1 3 327.517 1.042 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441020912 305216700 /nfs/dbraw/zinc/21/67/00/305216700.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 1 3 327.517 1.042 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000562758822 306308082 /nfs/dbraw/zinc/30/80/82/306308082.db2.gz OCQWFDYBBXJQQT-MRXNPFEDSA-N 1 3 345.491 1.950 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000563037555 306316393 /nfs/dbraw/zinc/31/63/93/306316393.db2.gz AGQHHEXRXZLDPV-ALOPSCKCSA-N 1 3 329.444 1.179 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000127770199 138338728 /nfs/dbraw/zinc/33/87/28/138338728.db2.gz CEUQWSPHUAGVCJ-APWZRJJASA-N 1 3 334.483 1.878 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000127770199 138338729 /nfs/dbraw/zinc/33/87/29/138338729.db2.gz CEUQWSPHUAGVCJ-APWZRJJASA-N 1 3 334.483 1.878 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000563945436 306353014 /nfs/dbraw/zinc/35/30/14/306353014.db2.gz KXFBEWRWDIEKJH-MKXGPGLRSA-N 1 3 344.503 1.847 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000364875585 296027690 /nfs/dbraw/zinc/02/76/90/296027690.db2.gz AHDXOSGYVOYUHW-NVXWUHKLSA-N 1 3 333.480 1.711 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C1=CCN(C)CC1 ZINC000566132723 306399542 /nfs/dbraw/zinc/39/95/42/306399542.db2.gz ZSIFWYVZMRYDPX-ZFWWWQNUSA-N 1 3 334.416 1.395 20 0 EDADHO COc1cccc(C(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414734372 304134660 /nfs/dbraw/zinc/13/46/60/304134660.db2.gz KVQKVZDEWGOQPS-JKSUJKDBSA-N 1 3 331.460 1.841 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372611724 296109534 /nfs/dbraw/zinc/10/95/34/296109534.db2.gz KWNILNQZVLSXTA-QGZVFWFLSA-N 1 3 335.492 1.622 20 0 EDADHO Cc1nn2c(CNCCCN3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000414784838 304140352 /nfs/dbraw/zinc/14/03/52/304140352.db2.gz UBKSPSYAWBQHJD-UHFFFAOYSA-N 1 3 336.509 1.608 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000414820566 304144799 /nfs/dbraw/zinc/14/47/99/304144799.db2.gz ACXNEMKMNBRAPZ-OAHLLOKOSA-N 1 3 330.432 1.217 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194827645 139000880 /nfs/dbraw/zinc/00/08/80/139000880.db2.gz YCYXBBCLGHKETO-UHFFFAOYSA-N 1 3 348.472 1.515 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC[C@H]2CCC[NH2+]C2)C1 ZINC000415120690 304161673 /nfs/dbraw/zinc/16/16/73/304161673.db2.gz LWEPVPAEAXJWBK-RDJZCZTQSA-N 1 3 330.476 1.795 20 0 EDADHO Cc1nn(C)cc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126889 304162293 /nfs/dbraw/zinc/16/22/93/304162293.db2.gz HFSVFUUNQDRMGU-UHFFFAOYSA-N 1 3 327.476 1.812 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000415139068 304163537 /nfs/dbraw/zinc/16/35/37/304163537.db2.gz HXXIWCBJRPOGEB-HEHGZKQESA-N 1 3 330.432 1.340 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000415138077 304163547 /nfs/dbraw/zinc/16/35/47/304163547.db2.gz GKYUEXVDVVFYPO-YOEHRIQHSA-N 1 3 344.459 1.430 20 0 EDADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143204 304164034 /nfs/dbraw/zinc/16/40/34/304164034.db2.gz AMKHJUQUUNAMHS-DLBZAZTESA-N 1 3 344.459 1.430 20 0 EDADHO CC(C)C[C@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000236747229 139030240 /nfs/dbraw/zinc/03/02/40/139030240.db2.gz NUVRQOLXSKNALR-ZDUSSCGKSA-N 1 3 334.420 1.468 20 0 EDADHO COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCCN2C)cc1 ZINC000237300674 139046960 /nfs/dbraw/zinc/04/69/60/139046960.db2.gz GHFXQTWIFPDMBI-BPQIPLTHSA-N 1 3 331.460 1.946 20 0 EDADHO COCC[NH2+]CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237299208 139046987 /nfs/dbraw/zinc/04/69/87/139046987.db2.gz ROMARKRREBVMCH-MRXNPFEDSA-N 1 3 337.439 1.390 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249297732 284347528 /nfs/dbraw/zinc/34/75/28/284347528.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 1 3 346.519 1.679 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249297732 284347530 /nfs/dbraw/zinc/34/75/30/284347530.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 1 3 346.519 1.679 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000237986416 139065750 /nfs/dbraw/zinc/06/57/50/139065750.db2.gz VOKGBARWODAVBT-KRWDZBQOSA-N 1 3 330.476 1.457 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246352356 139105118 /nfs/dbraw/zinc/10/51/18/139105118.db2.gz PISZCEVQMWTDRG-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCN1C ZINC000248014341 139157166 /nfs/dbraw/zinc/15/71/66/139157166.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000248014341 139157167 /nfs/dbraw/zinc/15/71/67/139157167.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000248014341 139157168 /nfs/dbraw/zinc/15/71/68/139157168.db2.gz LOMZUIYYXZNBNU-MDNKFWRPSA-N 1 3 331.504 1.942 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096599 139185476 /nfs/dbraw/zinc/18/54/76/139185476.db2.gz IIBWUSQBKHLYGU-RKVPGOIHSA-N 1 3 325.497 1.900 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096599 139185477 /nfs/dbraw/zinc/18/54/77/139185477.db2.gz IIBWUSQBKHLYGU-RKVPGOIHSA-N 1 3 325.497 1.900 20 0 EDADHO Cc1ccc2c(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc(=O)oc2c1 ZINC000261600142 139209641 /nfs/dbraw/zinc/20/96/41/139209641.db2.gz AYWLHUJXQPZACG-CQSZACIVSA-N 1 3 343.427 1.388 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)c1csc(CC[NH3+])n1 ZINC000261552872 139208857 /nfs/dbraw/zinc/20/88/57/139208857.db2.gz RZCHXIKOBLCPSW-UHFFFAOYSA-N 1 3 332.473 1.848 20 0 EDADHO [NH3+][C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000261752441 139223081 /nfs/dbraw/zinc/22/30/81/139223081.db2.gz NKJKZSCDVMDKFD-RBUKOAKNSA-N 1 3 342.487 1.156 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415503742 304225155 /nfs/dbraw/zinc/22/51/55/304225155.db2.gz SBFMSSBYTWWUIO-QGZVFWFLSA-N 1 3 331.464 1.784 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415504299 304225235 /nfs/dbraw/zinc/22/52/35/304225235.db2.gz XNTROAHAVSLHFZ-INIZCTEOSA-N 1 3 332.448 1.206 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000262134893 139254006 /nfs/dbraw/zinc/25/40/06/139254006.db2.gz WUAFXJQDPCZSRV-FQEVSTJZSA-N 1 3 344.503 1.704 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccc3c(c2)CCO3)C1)[C@@H]1CCC[NH2+]1 ZINC000262175826 139257498 /nfs/dbraw/zinc/25/74/98/139257498.db2.gz IGEJZTNPQRNCMF-AEFFLSMTSA-N 1 3 343.471 1.702 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015040 251047979 /nfs/dbraw/zinc/04/79/79/251047979.db2.gz VWDJGKGSVDGGKP-GXSJLCMTSA-N 1 3 328.404 1.003 20 0 EDADHO CC[C@H](CNC(=O)N1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417015049 251132512 /nfs/dbraw/zinc/13/25/12/251132512.db2.gz LXHCHBAFARCRFZ-GOSISDBHSA-N 1 3 330.476 1.828 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H]1C)N1CCc2ccccc2C1 ZINC000417004532 251126955 /nfs/dbraw/zinc/12/69/55/251126955.db2.gz CNPDEYIMPJFVMY-OLMNPRSZSA-N 1 3 330.476 1.954 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C[NH3+])C1 ZINC000417312154 251155820 /nfs/dbraw/zinc/15/58/20/251155820.db2.gz NCVAEORHMDJPJN-KSZLIROESA-N 1 3 348.491 1.745 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519678 251182607 /nfs/dbraw/zinc/18/26/07/251182607.db2.gz VQWCEGUWEYFASY-MSOLQXFVSA-N 1 3 348.491 1.747 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617554 251207454 /nfs/dbraw/zinc/20/74/54/251207454.db2.gz CBLOWGLAIGNIHR-NVXWUHKLSA-N 1 3 348.491 1.794 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417687868 251229141 /nfs/dbraw/zinc/22/91/41/251229141.db2.gz IGHCHTWOUWUIHD-OAHLLOKOSA-N 1 3 334.464 1.175 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831974 251288593 /nfs/dbraw/zinc/28/85/93/251288593.db2.gz SQOJMIIVBROSDW-NJAFHUGGSA-N 1 3 330.476 1.887 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417798852 251274223 /nfs/dbraw/zinc/27/42/23/251274223.db2.gz AXJBQIWQYHVZAR-GJZGRUSLSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CN1Cc1ccccc1 ZINC000417873896 251308948 /nfs/dbraw/zinc/30/89/48/251308948.db2.gz MJDRQRJNDTXFAG-BVBHFADKSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C1=CCN(C)CC1 ZINC000417992153 251319510 /nfs/dbraw/zinc/31/95/10/251319510.db2.gz LYLYKHKMYRZMBR-MRXNPFEDSA-N 1 3 330.476 1.850 20 0 EDADHO C[C@@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108985 251325304 /nfs/dbraw/zinc/32/53/04/251325304.db2.gz BZNSSQASXRVZIW-OWCLPIDISA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108983 251325486 /nfs/dbraw/zinc/32/54/86/251325486.db2.gz BZNSSQASXRVZIW-BZUAXINKSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000418111118 251326624 /nfs/dbraw/zinc/32/66/24/251326624.db2.gz GJMDVUXGWYXHEN-LSDHHAIUSA-N 1 3 326.485 1.256 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000418113396 251327128 /nfs/dbraw/zinc/32/71/28/251327128.db2.gz JHZOXOBMPSDHJL-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418424343 251367641 /nfs/dbraw/zinc/36/76/41/251367641.db2.gz GWGLFKMYRIKAKC-QZTJIDSGSA-N 1 3 348.491 1.829 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418709400 251392197 /nfs/dbraw/zinc/39/21/97/251392197.db2.gz RDRLBHJFKALBSS-CRAIPNDOSA-N 1 3 334.464 1.050 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CNCCC1(F)F)c1ccccc1 ZINC000418685764 251386490 /nfs/dbraw/zinc/38/64/90/251386490.db2.gz ZTJDYQWMWDJALD-ZIAGYGMSSA-N 1 3 326.391 1.763 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262719701 139298916 /nfs/dbraw/zinc/29/89/16/139298916.db2.gz FKFZVGIPXAMLFM-CQSZACIVSA-N 1 3 332.448 1.578 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320357 252045820 /nfs/dbraw/zinc/04/58/20/252045820.db2.gz GDBWLNYMBZRYNO-DOTOQJQBSA-N 1 3 339.505 1.873 20 0 EDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000423645283 252063401 /nfs/dbraw/zinc/06/34/01/252063401.db2.gz KSFFZGFLXFWHCL-SJLPKXTDSA-N 1 3 330.476 1.537 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423840640 252089266 /nfs/dbraw/zinc/08/92/66/252089266.db2.gz LLDBZEPXYIBZOS-SFHVURJKSA-N 1 3 333.476 1.516 20 0 EDADHO Cn1cc(C(=O)NCc2ccc3c(c2)CNC3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424158141 252146842 /nfs/dbraw/zinc/14/68/42/252146842.db2.gz OILPGJYPSOZNLB-OAHLLOKOSA-N 1 3 339.443 1.420 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158529 252147070 /nfs/dbraw/zinc/14/70/70/252147070.db2.gz TUFDZAHUGWNMOE-IOASZLSFSA-N 1 3 331.464 1.100 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262968059 139315871 /nfs/dbraw/zinc/31/58/71/139315871.db2.gz XIFGUQJGFHTYAR-QZTJIDSGSA-N 1 3 344.503 1.764 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441290 252232671 /nfs/dbraw/zinc/23/26/71/252232671.db2.gz WRCDISCLBGFKDB-MRXNPFEDSA-N 1 3 347.507 1.849 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333947450 285009907 /nfs/dbraw/zinc/00/99/07/285009907.db2.gz VPDJVQNOMZQXDA-HOTGVXAUSA-N 1 3 338.496 1.128 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000347047084 285058552 /nfs/dbraw/zinc/05/85/52/285058552.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000347047084 285058556 /nfs/dbraw/zinc/05/85/56/285058556.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415754979 304266054 /nfs/dbraw/zinc/26/60/54/304266054.db2.gz BQLCUJOUSRPBRW-HNNXBMFYSA-N 1 3 346.475 1.855 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000493370520 255207080 /nfs/dbraw/zinc/20/70/80/255207080.db2.gz POGBMTCEWBZJIH-WAYWQWQTSA-N 1 3 331.460 1.895 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCC(O)CC1 ZINC000471970257 285275743 /nfs/dbraw/zinc/27/57/43/285275743.db2.gz XBIKBMQVYGQCND-CGZBRXJRSA-N 1 3 325.497 1.412 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C1CCC(O)CC1 ZINC000471970257 285275744 /nfs/dbraw/zinc/27/57/44/285275744.db2.gz XBIKBMQVYGQCND-CGZBRXJRSA-N 1 3 325.497 1.412 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCN(C)C(C)C)c1 ZINC000118123257 221124540 /nfs/dbraw/zinc/12/45/40/221124540.db2.gz YGXBXILDSNFXAM-UHFFFAOYSA-N 1 3 348.491 1.923 20 0 EDADHO CCN1CCN(C[C@H](C)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899971 285322135 /nfs/dbraw/zinc/32/21/35/285322135.db2.gz MQPKBTHECBMZKK-MRXNPFEDSA-N 1 3 349.523 1.505 20 0 EDADHO CN1CCCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000264302579 139395258 /nfs/dbraw/zinc/39/52/58/139395258.db2.gz OLIDRKPGXCQSCG-UHFFFAOYSA-N 1 3 348.491 1.517 20 0 EDADHO Cc1cc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc(C)c1O ZINC000571682234 306571791 /nfs/dbraw/zinc/57/17/91/306571791.db2.gz UDBUYNQGOWHKDE-UHFFFAOYSA-N 1 3 333.476 1.899 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000332366143 141169801 /nfs/dbraw/zinc/16/98/01/141169801.db2.gz YLHXTLDCARUAMU-YJBOKZPZSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140661 141270719 /nfs/dbraw/zinc/27/07/19/141270719.db2.gz KVXWHUZKVCHGTL-RBSFLKMASA-N 1 3 329.452 1.023 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000333281228 141292333 /nfs/dbraw/zinc/29/23/33/141292333.db2.gz MMHOXBJIFQGFQL-DZGCQCFKSA-N 1 3 331.526 1.557 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@@H]12 ZINC000333540803 141333773 /nfs/dbraw/zinc/33/37/73/141333773.db2.gz JFKABAICZAXOLX-CGTJXYLNSA-N 1 3 343.475 1.677 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333643950 141349569 /nfs/dbraw/zinc/34/95/69/141349569.db2.gz XSYSJTNFUDMYSX-DZGCQCFKSA-N 1 3 334.468 1.005 20 0 EDADHO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CN4CCN3CCC4)CC2)CC1 ZINC000344720187 143002702 /nfs/dbraw/zinc/00/27/02/143002702.db2.gz HHVCOLLGMWTKIP-ACBHZAAOSA-N 1 3 348.535 1.536 20 0 EDADHO C[C@H](Cn1cccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000345154056 143058365 /nfs/dbraw/zinc/05/83/65/143058365.db2.gz HMEAZWOZTHUJLQ-QGZVFWFLSA-N 1 3 328.464 1.469 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N(C)CC2CC2)[C@@H](C)C1 ZINC000346621028 143223030 /nfs/dbraw/zinc/22/30/30/143223030.db2.gz SGBUSGQOAVVOEE-RDJZCZTQSA-N 1 3 325.497 1.581 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000369917771 155232346 /nfs/dbraw/zinc/23/23/46/155232346.db2.gz FLIYVKKLBBLXPW-JTDSTZFVSA-N 1 3 337.508 1.757 20 0 EDADHO CN(c1ccccc1CNC[C@@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717913 149502137 /nfs/dbraw/zinc/50/21/37/149502137.db2.gz ZLJLHCBVBNDLOA-RBUKOAKNSA-N 1 3 347.503 1.847 20 0 EDADHO N[C@@H](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000573562853 306624313 /nfs/dbraw/zinc/62/43/13/306624313.db2.gz JFIBCKMKRUCREZ-SQNIBIBYSA-N 1 3 331.460 1.821 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930178 155241194 /nfs/dbraw/zinc/24/11/94/155241194.db2.gz XBXGJPNFGLOULT-IRXDYDNUSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930178 155241195 /nfs/dbraw/zinc/24/11/95/155241195.db2.gz XBXGJPNFGLOULT-IRXDYDNUSA-N 1 3 335.492 1.717 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360986 150233647 /nfs/dbraw/zinc/23/36/47/150233647.db2.gz HJKKCTSQYYUDJI-ZWKOTPCHSA-N 1 3 331.460 1.683 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NCC[C@@H]1CC[NH2+]C1 ZINC000417039032 304364755 /nfs/dbraw/zinc/36/47/55/304364755.db2.gz URSGDKPJRHCKDX-INIZCTEOSA-N 1 3 330.476 1.734 20 0 EDADHO NC[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000358859080 151522395 /nfs/dbraw/zinc/52/23/95/151522395.db2.gz SKOGLMFJAVRNKN-QGZVFWFLSA-N 1 3 349.450 1.629 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000360386869 152016073 /nfs/dbraw/zinc/01/60/73/152016073.db2.gz ZUBGNFXMUNQAJD-INIZCTEOSA-N 1 3 328.526 1.596 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742718 152180323 /nfs/dbraw/zinc/18/03/23/152180323.db2.gz AIXOKIGNPYLCBL-GOEBONIOSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742718 152180326 /nfs/dbraw/zinc/18/03/26/152180326.db2.gz AIXOKIGNPYLCBL-GOEBONIOSA-N 1 3 328.526 1.549 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[NH+]1CCCC1 ZINC000361288018 152354001 /nfs/dbraw/zinc/35/40/01/152354001.db2.gz NSKMWYQLUMDNQM-BBWFWOEESA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)(CNC(=O)[C@H]1CCCN1C1CCOCC1)C[NH+]1CCCC1 ZINC000361384579 152379048 /nfs/dbraw/zinc/37/90/48/152379048.db2.gz FRVDEJATWVRMHL-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC(=O)NC1CCC([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)CC1 ZINC000361436220 152395087 /nfs/dbraw/zinc/39/50/87/152395087.db2.gz SBHKVEAEBRYGSI-JCYILVPMSA-N 1 3 340.512 1.116 20 0 EDADHO CC(C)[N@H+]1C[C@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041237 /nfs/dbraw/zinc/04/12/37/153041237.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 1 3 340.512 1.203 20 0 EDADHO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041239 /nfs/dbraw/zinc/04/12/39/153041239.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 1 3 340.512 1.203 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)CN(C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300361 /nfs/dbraw/zinc/30/03/61/153300361.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 1 3 349.523 1.992 20 0 EDADHO CC[N@H+]1CCC[C@@H](CN(C)C(=O)CN(C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300362 /nfs/dbraw/zinc/30/03/62/153300362.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 1 3 349.523 1.992 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000417197193 304383464 /nfs/dbraw/zinc/38/34/64/304383464.db2.gz PYKWDXKRGOIAOP-FGTMMUONSA-N 1 3 348.491 1.307 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417200132 304383880 /nfs/dbraw/zinc/38/38/80/304383880.db2.gz STXXOILJFBIEHM-BZSNNMDCSA-N 1 3 332.492 1.976 20 0 EDADHO CN(CCNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000417232258 304386107 /nfs/dbraw/zinc/38/61/07/304386107.db2.gz PNUDJRFGUCCWGY-UHFFFAOYSA-N 1 3 330.476 1.904 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371926498 156168000 /nfs/dbraw/zinc/16/80/00/156168000.db2.gz IXDHMCVXPSQGHM-CRAIPNDOSA-N 1 3 345.491 1.582 20 0 EDADHO CN1CCN(CC2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000574962398 306660776 /nfs/dbraw/zinc/66/07/76/306660776.db2.gz RIMHQQSEJVVLNA-UHFFFAOYSA-N 1 3 338.540 1.594 20 0 EDADHO CN1CC[NH+](C[C@H]2CCCN(Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128027 158086770 /nfs/dbraw/zinc/08/67/70/158086770.db2.gz HRIGONLZFFJCSH-OAHLLOKOSA-N 1 3 328.464 1.369 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000378158681 158096060 /nfs/dbraw/zinc/09/60/60/158096060.db2.gz AWMRTINTZXUSGY-QRQLOZEOSA-N 1 3 345.487 1.895 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccccc1 ZINC000378158681 158096062 /nfs/dbraw/zinc/09/60/62/158096062.db2.gz AWMRTINTZXUSGY-QRQLOZEOSA-N 1 3 345.487 1.895 20 0 EDADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000378164963 158098118 /nfs/dbraw/zinc/09/81/18/158098118.db2.gz CGDGMFBQCMHNLV-MRXNPFEDSA-N 1 3 330.476 1.827 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378204437 158108733 /nfs/dbraw/zinc/10/87/33/158108733.db2.gz WAFYNPOXDAQRKK-SFHVURJKSA-N 1 3 338.540 1.961 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000378222475 158114028 /nfs/dbraw/zinc/11/40/28/158114028.db2.gz NDLRJUQMFWKBEN-HXUWFJFHSA-N 1 3 345.487 1.649 20 0 EDADHO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000343037444 292488191 /nfs/dbraw/zinc/48/81/91/292488191.db2.gz GYQMYGREQBXVNT-QGZVFWFLSA-N 1 3 343.512 1.158 20 0 EDADHO C[C@@]1(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCC[NH2+]1 ZINC000121232101 287369448 /nfs/dbraw/zinc/36/94/48/287369448.db2.gz DFXSLBCNNHGDEH-IBGZPJMESA-N 1 3 344.459 1.465 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418363265 304486319 /nfs/dbraw/zinc/48/63/19/304486319.db2.gz IAQJRGJVYLJUAY-CQSZACIVSA-N 1 3 340.418 1.790 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000665763106 452344361 /nfs/dbraw/zinc/34/43/61/452344361.db2.gz YYMJXGGQFKVDNQ-STQMWFEESA-N 1 3 336.427 1.282 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](OC(F)F)C1 ZINC000665763106 452344372 /nfs/dbraw/zinc/34/43/72/452344372.db2.gz YYMJXGGQFKVDNQ-STQMWFEESA-N 1 3 336.427 1.282 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000418505614 304505357 /nfs/dbraw/zinc/50/53/57/304505357.db2.gz FSQWDVLCAFQJAR-KRWDZBQOSA-N 1 3 340.512 1.376 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](C)[NH+](C)C)c2)CC1 ZINC000274831528 268218132 /nfs/dbraw/zinc/21/81/32/268218132.db2.gz RHGXZOGLEIJHJV-HNNXBMFYSA-N 1 3 333.480 1.900 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655913417 452672660 /nfs/dbraw/zinc/67/26/60/452672660.db2.gz UHFHSGRWMXSMPW-ZDUSSCGKSA-N 1 3 332.370 1.649 20 0 EDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC(=O)N1CCN(C)CC1 ZINC000348303530 276109305 /nfs/dbraw/zinc/10/93/05/276109305.db2.gz PPMWLIWTWKISSY-QZTJIDSGSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262659836 276384110 /nfs/dbraw/zinc/38/41/10/276384110.db2.gz WUGCAMBCVNHNSF-KURKYZTESA-N 1 3 336.524 1.441 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000124382988 277027159 /nfs/dbraw/zinc/02/71/59/277027159.db2.gz QQDAZWAYLNJEJQ-ZDUSSCGKSA-N 1 3 334.291 1.855 20 0 EDADHO CC(C)(CNC(=O)N1CCO[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417088682 277300578 /nfs/dbraw/zinc/30/05/78/277300578.db2.gz LLVUSVXVUWFNGQ-QGZVFWFLSA-N 1 3 346.475 1.192 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@H]1CSCCN1)[NH+]1CCC(C)CC1 ZINC000236721142 277890236 /nfs/dbraw/zinc/89/02/36/277890236.db2.gz WHDXKAATMHWLJJ-HOTGVXAUSA-N 1 3 327.538 1.954 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418745006 278315110 /nfs/dbraw/zinc/31/51/10/278315110.db2.gz GAHDKZGJHXHVIE-CYBMUJFWSA-N 1 3 332.439 1.747 20 0 EDADHO C[C@@H](NCC[C@H](C)[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382810 278348155 /nfs/dbraw/zinc/34/81/55/278348155.db2.gz VLDOHNRXQLKWSY-ZMSDIMECSA-N 1 3 335.448 1.739 20 0 EDADHO CC[C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCC[NH2+]1 ZINC000422779635 288039654 /nfs/dbraw/zinc/03/96/54/288039654.db2.gz GCZSTBKNIPDBMR-LSDHHAIUSA-N 1 3 336.480 1.751 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCCN(CCCOC)CC1 ZINC000369662025 279097424 /nfs/dbraw/zinc/09/74/24/279097424.db2.gz QNEBIUSEEPRZNB-UHFFFAOYSA-N 1 3 328.501 1.472 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C)no1 ZINC000337582162 279302284 /nfs/dbraw/zinc/30/22/84/279302284.db2.gz ORRJNDCXUROLFQ-OAHLLOKOSA-N 1 3 337.468 1.185 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nc(C)no1 ZINC000337582162 279302285 /nfs/dbraw/zinc/30/22/85/279302285.db2.gz ORRJNDCXUROLFQ-OAHLLOKOSA-N 1 3 337.468 1.185 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC000351477577 288192634 /nfs/dbraw/zinc/19/26/34/288192634.db2.gz NTMSMGRDBHDUIQ-XYVMCAHJSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)CN(C)C2CC2)C[C@@H](C)O1 ZINC000351477577 288192636 /nfs/dbraw/zinc/19/26/36/288192636.db2.gz NTMSMGRDBHDUIQ-XYVMCAHJSA-N 1 3 325.497 1.015 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]C1 ZINC000372399560 292660648 /nfs/dbraw/zinc/66/06/48/292660648.db2.gz OJMSIUNMDGSVPS-QUCCMNQESA-N 1 3 345.487 1.956 20 0 EDADHO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](CN)OC ZINC000290031846 288825188 /nfs/dbraw/zinc/82/51/88/288825188.db2.gz RWNMLGGVOJDIIB-OAHLLOKOSA-N 1 3 333.436 1.290 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000290056450 288830667 /nfs/dbraw/zinc/83/06/67/288830667.db2.gz VLKUSTWMXONXNI-KRWDZBQOSA-N 1 3 347.459 1.569 20 0 EDADHO CN1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000248040612 289221423 /nfs/dbraw/zinc/22/14/23/289221423.db2.gz LXUPWAQYZRADNY-XYJFISCASA-N 1 3 334.464 1.044 20 0 EDADHO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333829550 298028020 /nfs/dbraw/zinc/02/80/20/298028020.db2.gz JECJQFQTHCHASS-FVQBIDKESA-N 1 3 336.480 1.613 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419291747 304587385 /nfs/dbraw/zinc/58/73/85/304587385.db2.gz XCEQLWSYNHGRNX-OAHLLOKOSA-N 1 3 346.475 1.142 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419433967 304613572 /nfs/dbraw/zinc/61/35/72/304613572.db2.gz ZVBDVFKAUMKIMN-GOEBONIOSA-N 1 3 338.496 1.001 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000420114326 304740369 /nfs/dbraw/zinc/74/03/69/304740369.db2.gz DLCPLFIDXAWFLR-JKSUJKDBSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1C[NH3+] ZINC000420298324 304745559 /nfs/dbraw/zinc/74/55/59/304745559.db2.gz ZWMDDUDHDHFZTC-NXHRZFHOSA-N 1 3 332.492 1.465 20 0 EDADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372855776 447318476 /nfs/dbraw/zinc/31/84/76/447318476.db2.gz ILJSAISYENPRGJ-SFHVURJKSA-N 1 3 348.466 1.106 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000304005134 303747484 /nfs/dbraw/zinc/74/74/84/303747484.db2.gz SKWKLLVLRDZULS-KRWDZBQOSA-N 1 3 340.512 1.110 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000411631562 303901727 /nfs/dbraw/zinc/90/17/27/303901727.db2.gz MSKPHNUIVACILF-CGTJXYLNSA-N 1 3 335.492 1.524 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458386817 447339867 /nfs/dbraw/zinc/33/98/67/447339867.db2.gz WVYPKBAMMIGVBV-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458386817 447339872 /nfs/dbraw/zinc/33/98/72/447339872.db2.gz WVYPKBAMMIGVBV-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(C)C1CC1 ZINC000414882154 447342091 /nfs/dbraw/zinc/34/20/91/447342091.db2.gz RRTYPHJATPIAQN-NSHDSACASA-N 1 3 348.422 1.009 20 0 EDADHO CC(C)C[C@H](N[C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCCN(C)C ZINC000423021416 304883348 /nfs/dbraw/zinc/88/33/48/304883348.db2.gz CAHFKQZYYXVXEQ-KURKYZTESA-N 1 3 340.556 1.979 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423131327 304887962 /nfs/dbraw/zinc/88/79/62/304887962.db2.gz NSQRGBRSHSXANZ-CVEARBPZSA-N 1 3 340.512 1.009 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000423957699 304921165 /nfs/dbraw/zinc/92/11/65/304921165.db2.gz DLKPUJUUOSHGPC-WMZOPIPTSA-N 1 3 330.476 1.313 20 0 EDADHO C[C@](C[NH3+])(NCCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000430582431 305056892 /nfs/dbraw/zinc/05/68/92/305056892.db2.gz WMZNIBZBBAZNAB-LJQANCHMSA-N 1 3 344.459 1.859 20 0 EDADHO [NH3+]CC1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430609651 305058621 /nfs/dbraw/zinc/05/86/21/305058621.db2.gz IBVZWQSSHJUWQB-UHFFFAOYSA-N 1 3 334.439 1.145 20 0 EDADHO [NH3+]CC1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000430607206 305058657 /nfs/dbraw/zinc/05/86/57/305058657.db2.gz XRRRPZOADGXEHP-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC(C[NH3+])CC1 ZINC000430643056 305061080 /nfs/dbraw/zinc/06/10/80/305061080.db2.gz LGJUGNSRENUKOX-AWEZNQCLSA-N 1 3 347.459 1.176 20 0 EDADHO CN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC[NH2+]CC1 ZINC000430662381 305061840 /nfs/dbraw/zinc/06/18/40/305061840.db2.gz HYOXAYCFQUWGEF-UHFFFAOYSA-N 1 3 344.459 1.826 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCNCC1 ZINC000430662381 305061841 /nfs/dbraw/zinc/06/18/41/305061841.db2.gz HYOXAYCFQUWGEF-UHFFFAOYSA-N 1 3 344.459 1.826 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CCNCC1 ZINC000430662381 305061842 /nfs/dbraw/zinc/06/18/42/305061842.db2.gz HYOXAYCFQUWGEF-UHFFFAOYSA-N 1 3 344.459 1.826 20 0 EDADHO CC(C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430867085 305066455 /nfs/dbraw/zinc/06/64/55/305066455.db2.gz IYFILYBIWZUNDL-KRWDZBQOSA-N 1 3 346.475 1.348 20 0 EDADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000430941528 305069655 /nfs/dbraw/zinc/06/96/55/305069655.db2.gz WXJGMAICKUODQO-SJORKVTESA-N 1 3 344.503 1.783 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCCCN2C2CC2)ccn1 ZINC000434446981 305122762 /nfs/dbraw/zinc/12/27/62/305122762.db2.gz SFNQHYQVHXKHEM-QGZVFWFLSA-N 1 3 346.475 1.769 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000434670621 305126919 /nfs/dbraw/zinc/12/69/19/305126919.db2.gz DAVGENBAWMFMOE-ZWKOTPCHSA-N 1 3 344.503 1.798 20 0 EDADHO CCCN(C)CC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572403 305142843 /nfs/dbraw/zinc/14/28/43/305142843.db2.gz FIVOVOOGZIIRAT-MRXNPFEDSA-N 1 3 347.507 1.716 20 0 EDADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443066459 305234344 /nfs/dbraw/zinc/23/43/44/305234344.db2.gz FEHREAXWWYDJAY-KRWDZBQOSA-N 1 3 333.476 1.859 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449527438 305312953 /nfs/dbraw/zinc/31/29/53/305312953.db2.gz IIAKVSJOBDLEGN-TZIWHRDSSA-N 1 3 335.451 1.921 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000495081629 305635355 /nfs/dbraw/zinc/63/53/55/305635355.db2.gz HNROWLRRKIATMH-QGZVFWFLSA-N 1 3 333.476 1.816 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C[C@@H]1[NH3+] ZINC000514722024 305703257 /nfs/dbraw/zinc/70/32/57/305703257.db2.gz MRRXGRLMOALEKA-OFVDZJKFSA-N 1 3 348.413 1.780 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000414944100 447367426 /nfs/dbraw/zinc/36/74/26/447367426.db2.gz NJLUIYDJYDHATP-BBRMVZONSA-N 1 3 332.448 1.189 20 0 EDADHO CN(CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)[C@@H]1CCSC1 ZINC000534306276 306005648 /nfs/dbraw/zinc/00/56/48/306005648.db2.gz NJFRJIACUYKBTQ-CQSZACIVSA-N 1 3 349.504 1.209 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)NC1CC([NH+]2CCCCC2)C1 ZINC000556760623 306216325 /nfs/dbraw/zinc/21/63/25/306216325.db2.gz KZLBFMYGOXIQLL-CGZBRXJRSA-N 1 3 338.496 1.149 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cn3cccn3)CC2)CC1 ZINC000557515284 306228882 /nfs/dbraw/zinc/22/88/82/306228882.db2.gz UBUFXZAUFAMYGK-MRXNPFEDSA-N 1 3 347.507 1.584 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458544919 447407111 /nfs/dbraw/zinc/40/71/11/447407111.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000458544919 447407113 /nfs/dbraw/zinc/40/71/13/447407113.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458544914 447407174 /nfs/dbraw/zinc/40/71/74/447407174.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458544914 447407180 /nfs/dbraw/zinc/40/71/80/447407180.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC000081397183 441263807 /nfs/dbraw/zinc/26/38/07/441263807.db2.gz FKOVCTYSHAKOQR-INIZCTEOSA-N 1 3 332.492 1.899 20 0 EDADHO CC(C)c1nccn1CCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000074676286 441456552 /nfs/dbraw/zinc/45/65/52/441456552.db2.gz KADMUYCYLXYQMF-UHFFFAOYSA-N 1 3 349.523 1.881 20 0 EDADHO CCC[NH+]1CCC(N2CCN(CCCN3CCOCC3)CC2)CC1 ZINC000075740511 441553562 /nfs/dbraw/zinc/55/35/62/441553562.db2.gz VBWOVOAEGHMGCA-UHFFFAOYSA-N 1 3 338.540 1.201 20 0 EDADHO C[N@H+](CCCS(N)(=O)=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110079 441599364 /nfs/dbraw/zinc/59/93/64/441599364.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 1 3 325.478 1.119 20 0 EDADHO C[N@@H+](CCCS(N)(=O)=O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110079 441599367 /nfs/dbraw/zinc/59/93/67/441599367.db2.gz PUKUMNCBXKRIAN-MRXNPFEDSA-N 1 3 325.478 1.119 20 0 EDADHO C[N@H+](CCCS(N)(=O)=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110078 441599551 /nfs/dbraw/zinc/59/95/51/441599551.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 1 3 325.478 1.119 20 0 EDADHO C[N@@H+](CCCS(N)(=O)=O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110078 441599552 /nfs/dbraw/zinc/59/95/52/441599552.db2.gz PUKUMNCBXKRIAN-INIZCTEOSA-N 1 3 325.478 1.119 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621943 /nfs/dbraw/zinc/62/19/43/441621943.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 1 3 344.503 1.694 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621950 /nfs/dbraw/zinc/62/19/50/441621950.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 1 3 344.503 1.694 20 0 EDADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000114486724 441664156 /nfs/dbraw/zinc/66/41/56/441664156.db2.gz OTNMKKMLNPGRTR-UHFFFAOYSA-N 1 3 347.503 1.991 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067782017 441678509 /nfs/dbraw/zinc/67/85/09/441678509.db2.gz ANFJIPDPTULABP-INIZCTEOSA-N 1 3 346.475 1.533 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067782017 441678512 /nfs/dbraw/zinc/67/85/12/441678512.db2.gz ANFJIPDPTULABP-INIZCTEOSA-N 1 3 346.475 1.533 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137076633 441744454 /nfs/dbraw/zinc/74/44/54/441744454.db2.gz IEDJNPWTPLNFOD-GOEBONIOSA-N 1 3 332.448 1.331 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000137076633 441744459 /nfs/dbraw/zinc/74/44/59/441744459.db2.gz IEDJNPWTPLNFOD-GOEBONIOSA-N 1 3 332.448 1.331 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(CO)c1 ZINC000121833285 441791030 /nfs/dbraw/zinc/79/10/30/441791030.db2.gz YQFTWSVQFAAUQN-KRWDZBQOSA-N 1 3 335.492 1.220 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774471 441857561 /nfs/dbraw/zinc/85/75/61/441857561.db2.gz VOYMXQMWTOQTPK-IYBDPMFKSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774471 441857562 /nfs/dbraw/zinc/85/75/62/441857562.db2.gz VOYMXQMWTOQTPK-IYBDPMFKSA-N 1 3 340.512 1.110 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCC2(O)CCN(C)CC2)c1 ZINC000077800623 441863220 /nfs/dbraw/zinc/86/32/20/441863220.db2.gz GDJNSYUFUASEFQ-UHFFFAOYSA-N 1 3 348.491 1.394 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2(O)CCN(C)CC2)c1 ZINC000077800623 441863223 /nfs/dbraw/zinc/86/32/23/441863223.db2.gz GDJNSYUFUASEFQ-UHFFFAOYSA-N 1 3 348.491 1.394 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000077762075 441851419 /nfs/dbraw/zinc/85/14/19/441851419.db2.gz HXEHVLMWXVYAJT-UHFFFAOYSA-N 1 3 328.407 1.600 20 0 EDADHO CCN(CC)[C@H](C)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000127618913 442216183 /nfs/dbraw/zinc/21/61/83/442216183.db2.gz WJKVUGVRIVDPRJ-QGZVFWFLSA-N 1 3 326.529 1.103 20 0 EDADHO CN(CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167699630 442222068 /nfs/dbraw/zinc/22/20/68/442222068.db2.gz NCNKAKWLWBHWKX-LJQANCHMSA-N 1 3 344.503 1.405 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000152552244 442224465 /nfs/dbraw/zinc/22/44/65/442224465.db2.gz VHPIBVNDZAGINP-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000153759595 442300559 /nfs/dbraw/zinc/30/05/59/442300559.db2.gz LAHWUMHZPGXYQC-INIZCTEOSA-N 1 3 334.464 1.125 20 0 EDADHO CCN1CCN(CCCC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000154488133 442342456 /nfs/dbraw/zinc/34/24/56/442342456.db2.gz WLCVEUBBVSGHQP-UHFFFAOYSA-N 1 3 332.483 1.723 20 0 EDADHO COc1ccc([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130287136 442343261 /nfs/dbraw/zinc/34/32/61/442343261.db2.gz IRGUCQIQICLBPA-YJBOKZPZSA-N 1 3 331.460 1.948 20 0 EDADHO CCCC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000154599065 442347142 /nfs/dbraw/zinc/34/71/42/442347142.db2.gz IPMVIWLYGQXVFV-GOSISDBHSA-N 1 3 332.492 1.568 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171663039 442367633 /nfs/dbraw/zinc/36/76/33/442367633.db2.gz JKWWDYQDNSVLQT-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CN1CCC(Oc2ccc(NC(=O)C3CC[NH+](C)CC3)cn2)CC1 ZINC000154911775 442363790 /nfs/dbraw/zinc/36/37/90/442363790.db2.gz ZRALRFYEHRWFSN-UHFFFAOYSA-N 1 3 332.448 1.835 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428304 442417427 /nfs/dbraw/zinc/41/74/27/442417427.db2.gz JZSAGDYSKNMEJP-WMZOPIPTSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428304 442417429 /nfs/dbraw/zinc/41/74/29/442417429.db2.gz JZSAGDYSKNMEJP-WMZOPIPTSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)C(C)(C)C ZINC000133566850 442424125 /nfs/dbraw/zinc/42/41/25/442424125.db2.gz IPHSJSNWSLYMDC-PMPSAXMXSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)C(C)(C)C ZINC000133566850 442424128 /nfs/dbraw/zinc/42/41/28/442424128.db2.gz IPHSJSNWSLYMDC-PMPSAXMXSA-N 1 3 325.497 1.628 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000178531226 442441932 /nfs/dbraw/zinc/44/19/32/442441932.db2.gz ISPYQNHNNLIKGR-QGZVFWFLSA-N 1 3 330.476 1.396 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000178873781 442510189 /nfs/dbraw/zinc/51/01/89/442510189.db2.gz OKHXZTHDVSSSGH-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873115 442510308 /nfs/dbraw/zinc/51/03/08/442510308.db2.gz YIDHGDCJAMVIRN-SFHVURJKSA-N 1 3 330.476 1.192 20 0 EDADHO CC(C)[NH+](CCNC(=O)N[C@H](C)CCN1CCN(C)CC1)C(C)C ZINC000186103694 442463578 /nfs/dbraw/zinc/46/35/78/442463578.db2.gz WCDIBWZIHXASBR-QGZVFWFLSA-N 1 3 341.544 1.430 20 0 EDADHO COCCN(CCN[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562522 442475810 /nfs/dbraw/zinc/47/58/10/442475810.db2.gz JUJQICRCPRVZNL-CABCVRRESA-N 1 3 329.485 1.942 20 0 EDADHO COCCN(CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562522 442475814 /nfs/dbraw/zinc/47/58/14/442475814.db2.gz JUJQICRCPRVZNL-CABCVRRESA-N 1 3 329.485 1.942 20 0 EDADHO O=C(NCCN1CCN(CC2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000178980482 442543982 /nfs/dbraw/zinc/54/39/82/442543982.db2.gz YZJRTBXYAPRMMS-UHFFFAOYSA-N 1 3 348.466 1.173 20 0 EDADHO O=c1[nH]c(CN2CCN(CC3CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000178978405 442544346 /nfs/dbraw/zinc/54/43/46/442544346.db2.gz CXKHMWZMMBEYSW-UHFFFAOYSA-N 1 3 341.459 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CCN(C)CC1 ZINC000157412520 442581396 /nfs/dbraw/zinc/58/13/96/442581396.db2.gz CCDIUBPFHRQTHS-KRWDZBQOSA-N 1 3 341.544 1.240 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179190080 442593165 /nfs/dbraw/zinc/59/31/65/442593165.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 1 3 348.491 1.699 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000179190080 442593169 /nfs/dbraw/zinc/59/31/69/442593169.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000192110862 442594887 /nfs/dbraw/zinc/59/48/87/442594887.db2.gz KWCFJYNNTVOXJN-DLBZAZTESA-N 1 3 332.492 1.246 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@](C)(N)c3ccccc3)CC2)CC1 ZINC000192525054 442657970 /nfs/dbraw/zinc/65/79/70/442657970.db2.gz PBXBVAMFCHAJCS-HXUWFJFHSA-N 1 3 344.503 1.535 20 0 EDADHO C[C@H]1CN(CC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000158106877 442647327 /nfs/dbraw/zinc/64/73/27/442647327.db2.gz NAAONSNPXFFVOD-HOTGVXAUSA-N 1 3 326.481 1.349 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000188403769 442746737 /nfs/dbraw/zinc/74/67/37/442746737.db2.gz XMQDYZQRPGGTAC-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000193548135 442752609 /nfs/dbraw/zinc/75/26/09/442752609.db2.gz GABDTIWERJCHAB-PKOBYXMFSA-N 1 3 344.503 1.764 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246513966 442787575 /nfs/dbraw/zinc/78/75/75/442787575.db2.gz UVZLCPBEAXMYPY-BBWFWOEESA-N 1 3 342.528 1.572 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246513966 442787577 /nfs/dbraw/zinc/78/75/77/442787577.db2.gz UVZLCPBEAXMYPY-BBWFWOEESA-N 1 3 342.528 1.572 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000188796591 442815197 /nfs/dbraw/zinc/81/51/97/442815197.db2.gz OJZHNRGWGCAQIB-KSZLIROESA-N 1 3 348.466 1.181 20 0 EDADHO C[NH+](C)C/C=C/C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000265688870 442880786 /nfs/dbraw/zinc/88/07/86/442880786.db2.gz YCUBJLYMYJGKIA-DHZHZOJOSA-N 1 3 344.503 1.823 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268258688 442921696 /nfs/dbraw/zinc/92/16/96/442921696.db2.gz IHPNQSRGKYQQBQ-RHSMWYFYSA-N 1 3 346.475 1.404 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186372440 318550129 /nfs/dbraw/zinc/55/01/29/318550129.db2.gz QTKUYRZDFBZYNV-UHFFFAOYSA-N 1 3 328.501 1.469 20 0 EDADHO CN(C)CCOCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000219309459 443059370 /nfs/dbraw/zinc/05/93/70/443059370.db2.gz YDNHVQAABVFNPX-UHFFFAOYSA-N 1 3 329.485 1.990 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000237340013 443169898 /nfs/dbraw/zinc/16/98/98/443169898.db2.gz IIBKNDXIWZUSIH-MRXNPFEDSA-N 1 3 332.492 1.802 20 0 EDADHO COCC[NH2+]CC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000237194935 443163075 /nfs/dbraw/zinc/16/30/75/443163075.db2.gz FAAQMKLFATYOES-HNNXBMFYSA-N 1 3 339.505 1.873 20 0 EDADHO COCCNCC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000237194935 443163078 /nfs/dbraw/zinc/16/30/78/443163078.db2.gz FAAQMKLFATYOES-HNNXBMFYSA-N 1 3 339.505 1.873 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245390087 443221548 /nfs/dbraw/zinc/22/15/48/443221548.db2.gz KRQJCIGPNHGGLZ-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000245390087 443221549 /nfs/dbraw/zinc/22/15/49/443221549.db2.gz KRQJCIGPNHGGLZ-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H](C)C1 ZINC000262671063 443207184 /nfs/dbraw/zinc/20/71/84/443207184.db2.gz NZDIWIFMVNSIHV-UONOGXRCSA-N 1 3 334.468 1.053 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185527720 443214431 /nfs/dbraw/zinc/21/44/31/443214431.db2.gz KXMSCVJOGLABJI-MRXNPFEDSA-N 1 3 328.501 1.518 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000269247316 443249772 /nfs/dbraw/zinc/24/97/72/443249772.db2.gz FCADCBABZULJSI-UKPHBRMFSA-N 1 3 333.432 1.069 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)C1 ZINC000269247316 443249775 /nfs/dbraw/zinc/24/97/75/443249775.db2.gz FCADCBABZULJSI-UKPHBRMFSA-N 1 3 333.432 1.069 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000411555389 319184429 /nfs/dbraw/zinc/18/44/29/319184429.db2.gz GVMWAMSYDJVABL-DLBZAZTESA-N 1 3 325.497 1.770 20 0 EDADHO CO[C@](C)([C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953661 319216362 /nfs/dbraw/zinc/21/63/62/319216362.db2.gz RZSXIHKERYMOAP-KBXCAEBGSA-N 1 3 325.497 1.769 20 0 EDADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204995 319319605 /nfs/dbraw/zinc/31/96/05/319319605.db2.gz WYHFCPQZEJSKCI-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(O)c1 ZINC000414205188 319319617 /nfs/dbraw/zinc/31/96/17/319319617.db2.gz XBBYQMPJTMCSAI-MRXNPFEDSA-N 1 3 333.476 1.839 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CCCC1 ZINC000414650011 319336250 /nfs/dbraw/zinc/33/62/50/319336250.db2.gz ARAOBFMDKQEBQA-UHFFFAOYSA-N 1 3 344.459 1.261 20 0 EDADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414664899 319338250 /nfs/dbraw/zinc/33/82/50/319338250.db2.gz DABRJOORPJLHBU-AWEZNQCLSA-N 1 3 341.402 1.917 20 0 EDADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414664899 319338252 /nfs/dbraw/zinc/33/82/52/319338252.db2.gz DABRJOORPJLHBU-AWEZNQCLSA-N 1 3 341.402 1.917 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678736 319340727 /nfs/dbraw/zinc/34/07/27/319340727.db2.gz QWYMJVOZYQCJOY-HOTGVXAUSA-N 1 3 349.450 1.737 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414682417 319341849 /nfs/dbraw/zinc/34/18/49/319341849.db2.gz RCYSDGFZSFHMGN-JKSUJKDBSA-N 1 3 348.466 1.770 20 0 EDADHO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414685212 319342389 /nfs/dbraw/zinc/34/23/89/319342389.db2.gz YIRPNJVMYXXGPQ-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414685212 319342390 /nfs/dbraw/zinc/34/23/90/319342390.db2.gz YIRPNJVMYXXGPQ-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO Clc1cc(CNCCCN2CC[NH2+]CC2)cc2c1OCCO2 ZINC000414776553 319343754 /nfs/dbraw/zinc/34/37/54/319343754.db2.gz FPYMVGKLMCXRTC-UHFFFAOYSA-N 1 3 325.840 1.496 20 0 EDADHO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@H]1C[NH3+] ZINC000415837914 319376537 /nfs/dbraw/zinc/37/65/37/319376537.db2.gz CYKXVDUAIWHZNL-HIFRSBDPSA-N 1 3 332.448 1.130 20 0 EDADHO O=C(NC[C@H](c1cccs1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416833672 319465071 /nfs/dbraw/zinc/46/50/71/319465071.db2.gz CSQUWZQGAXPHDY-QLFBSQMISA-N 1 3 334.489 1.746 20 0 EDADHO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272509937 443345290 /nfs/dbraw/zinc/34/52/90/443345290.db2.gz OSIUIIOPBPVHIA-RDJZCZTQSA-N 1 3 339.505 1.426 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000264653116 443362880 /nfs/dbraw/zinc/36/28/80/443362880.db2.gz GXUUWUNEDCDABR-KRWDZBQOSA-N 1 3 344.503 1.899 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000264653116 443362883 /nfs/dbraw/zinc/36/28/83/443362883.db2.gz GXUUWUNEDCDABR-KRWDZBQOSA-N 1 3 344.503 1.899 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC(C)(C)O ZINC000267169086 443365130 /nfs/dbraw/zinc/36/51/30/443365130.db2.gz TYUHUTKGYHQCTQ-MRXNPFEDSA-N 1 3 347.503 1.858 20 0 EDADHO C[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(S(N)(=O)=O)cc1 ZINC000272794126 443447050 /nfs/dbraw/zinc/44/70/50/443447050.db2.gz CNVDEWAPTXJAAF-DZGCQCFKSA-N 1 3 325.478 1.859 20 0 EDADHO CN(C)c1ncc(CNC2CC[NH+](C3CCN(C)CC3)CC2)n1C ZINC000425349686 319832856 /nfs/dbraw/zinc/83/28/56/319832856.db2.gz LAOYIDCPAHNIJG-UHFFFAOYSA-N 1 3 334.512 1.134 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000265414918 443634819 /nfs/dbraw/zinc/63/48/19/443634819.db2.gz ICBFEEPJDADKJZ-ZWKOTPCHSA-N 1 3 346.475 1.233 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)N1CCCCC1 ZINC000444358751 320127918 /nfs/dbraw/zinc/12/79/18/320127918.db2.gz ARNLTMAQJUMUIG-SJLPKXTDSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)N1CCCCC1 ZINC000444358751 320127919 /nfs/dbraw/zinc/12/79/19/320127919.db2.gz ARNLTMAQJUMUIG-SJLPKXTDSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)N(C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453647846 320266967 /nfs/dbraw/zinc/26/69/67/320266967.db2.gz SASICYPBNULNDE-QGZVFWFLSA-N 1 3 346.475 1.630 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000475045038 320353597 /nfs/dbraw/zinc/35/35/97/320353597.db2.gz IKUQQVJYQDGUMI-FJIDUMEYSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@@H](F)C[C@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000475045038 320353598 /nfs/dbraw/zinc/35/35/98/320353598.db2.gz IKUQQVJYQDGUMI-FJIDUMEYSA-N 1 3 335.471 1.549 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000514606229 320429507 /nfs/dbraw/zinc/42/95/07/320429507.db2.gz VGSZWFGYVKBITI-GPMSIDNRSA-N 1 3 345.487 1.879 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000276688990 443792119 /nfs/dbraw/zinc/79/21/19/443792119.db2.gz UYLOQALSVBLKAL-DZJNRPSUSA-N 1 3 331.460 1.221 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298591639 443809679 /nfs/dbraw/zinc/80/96/79/443809679.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000298591639 443809680 /nfs/dbraw/zinc/80/96/80/443809680.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186265 321035655 /nfs/dbraw/zinc/03/56/55/321035655.db2.gz QGDUHFSKGAJYDM-KBAYOESNSA-N 1 3 346.475 1.266 20 0 EDADHO CCc1nc(CNC(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)n[nH]1 ZINC000563395083 321108371 /nfs/dbraw/zinc/10/83/71/321108371.db2.gz DYEBZUXLSVQXMI-UHFFFAOYSA-N 1 3 348.495 1.180 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000563714828 321112962 /nfs/dbraw/zinc/11/29/62/321112962.db2.gz MTPGWYAFESHGOH-CRAIPNDOSA-N 1 3 331.460 1.211 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](C)[C@H]3C)CC2)CC1 ZINC000565182540 321174050 /nfs/dbraw/zinc/17/40/50/321174050.db2.gz NHGKHNRBURNPMJ-CVEARBPZSA-N 1 3 337.508 1.819 20 0 EDADHO Cc1ccccc1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000565476789 321187782 /nfs/dbraw/zinc/18/77/82/321187782.db2.gz PJJQLMZGTQDZRL-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccccc1OC[C@H](O)CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000565476789 321187783 /nfs/dbraw/zinc/18/77/83/321187783.db2.gz PJJQLMZGTQDZRL-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO O=C(CC[NH2+]C1CCN(C[C@H]2CCOC2)CC1)Nc1cccnc1 ZINC000566118571 321217655 /nfs/dbraw/zinc/21/76/55/321217655.db2.gz XJMGYMORASQHSY-OAHLLOKOSA-N 1 3 332.448 1.501 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568998086 321314110 /nfs/dbraw/zinc/31/41/10/321314110.db2.gz VRDHTMLNGBDQCD-QUCCMNQESA-N 1 3 342.487 1.896 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CN1C1CC1 ZINC000570925770 321363498 /nfs/dbraw/zinc/36/34/98/321363498.db2.gz KOTWGQADAVCWMG-XUWXXGDYSA-N 1 3 328.460 1.879 20 0 EDADHO CCN1CCN(CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000571676930 321396966 /nfs/dbraw/zinc/39/69/66/321396966.db2.gz RPUJDZYGWVDWSD-KRWDZBQOSA-N 1 3 332.492 1.466 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000289924930 444220193 /nfs/dbraw/zinc/22/01/93/444220193.db2.gz NYLMQMCJMUCFLC-MRXNPFEDSA-N 1 3 348.447 1.048 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000289924930 444220195 /nfs/dbraw/zinc/22/01/95/444220195.db2.gz NYLMQMCJMUCFLC-MRXNPFEDSA-N 1 3 348.447 1.048 20 0 EDADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000305144218 444261111 /nfs/dbraw/zinc/26/11/11/444261111.db2.gz XOOYFYLBRAUFLS-IAGOWNOFSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000305144218 444261113 /nfs/dbraw/zinc/26/11/13/444261113.db2.gz XOOYFYLBRAUFLS-IAGOWNOFSA-N 1 3 325.497 1.604 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000290030703 444232984 /nfs/dbraw/zinc/23/29/84/444232984.db2.gz RVZSAJFAHOMWSE-IIDMSEBBSA-N 1 3 333.476 1.754 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CC(F)(F)F ZINC000577827608 321684978 /nfs/dbraw/zinc/68/49/78/321684978.db2.gz HRVMDLKEMACCMZ-LBPRGKRZSA-N 1 3 326.407 1.710 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851129 444292954 /nfs/dbraw/zinc/29/29/54/444292954.db2.gz OLABSKSGTLRVBE-AZUAARDMSA-N 1 3 345.487 1.641 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000580307620 322034026 /nfs/dbraw/zinc/03/40/26/322034026.db2.gz YKXCDTSPUOMFSR-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)[C@H](C(=O)NCCCN1CCN(c2ccncc2)CC1)[C@@H](C)[NH3+] ZINC000580307788 322034237 /nfs/dbraw/zinc/03/42/37/322034237.db2.gz BJRJLHOOEKXZRB-AEFFLSMTSA-N 1 3 347.507 1.329 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cn1cccn1 ZINC000581246087 322154321 /nfs/dbraw/zinc/15/43/21/322154321.db2.gz HVNQRNPYOSBKBF-OALUTQOASA-N 1 3 328.460 1.398 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246087 322154324 /nfs/dbraw/zinc/15/43/24/322154324.db2.gz HVNQRNPYOSBKBF-OALUTQOASA-N 1 3 328.460 1.398 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246087 322154328 /nfs/dbraw/zinc/15/43/28/322154328.db2.gz HVNQRNPYOSBKBF-OALUTQOASA-N 1 3 328.460 1.398 20 0 EDADHO Cc1c(C(=O)N2C[C@H](N)Cc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000581371343 322170028 /nfs/dbraw/zinc/17/00/28/322170028.db2.gz WFVLQDOOWJCIDQ-CQSZACIVSA-N 1 3 340.431 1.041 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000581478082 322182030 /nfs/dbraw/zinc/18/20/30/322182030.db2.gz CVYDIOSRPBMUEU-PBHICJAKSA-N 1 3 330.476 1.383 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(=O)OC ZINC000343955104 444692313 /nfs/dbraw/zinc/69/23/13/444692313.db2.gz SUPNSPYICTVVPQ-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)CC(=O)OC ZINC000343955104 444692319 /nfs/dbraw/zinc/69/23/19/444692319.db2.gz SUPNSPYICTVVPQ-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000344235887 444855255 /nfs/dbraw/zinc/85/52/55/444855255.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000344235887 444855258 /nfs/dbraw/zinc/85/52/58/444855258.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 1 3 345.487 1.600 20 0 EDADHO COCCCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343248702 445159519 /nfs/dbraw/zinc/15/95/19/445159519.db2.gz WHJNWRKEECWUMY-KURKYZTESA-N 1 3 325.497 1.234 20 0 EDADHO Cn1cc(CN2CCC(OCCC[NH3+])CC2)c(-c2cccnc2)n1 ZINC000346691791 445223222 /nfs/dbraw/zinc/22/32/22/445223222.db2.gz WJAGVRQADJCTNJ-UHFFFAOYSA-N 1 3 329.448 1.812 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859148 445345405 /nfs/dbraw/zinc/34/54/05/445345405.db2.gz FQABABYACXFNJJ-HZPDHXFCSA-N 1 3 348.466 1.534 20 0 EDADHO Cc1n[nH]c(C)c1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348933395 445447224 /nfs/dbraw/zinc/44/72/24/445447224.db2.gz JIRLWZATNGQFBE-UHFFFAOYSA-N 1 3 347.507 1.841 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362758558 445535328 /nfs/dbraw/zinc/53/53/28/445535328.db2.gz KDIHDMVEXJNSBD-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000352102921 445493366 /nfs/dbraw/zinc/49/33/66/445493366.db2.gz VIFTZYLMCYOKFC-MAUKXSAKSA-N 1 3 348.491 1.113 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000352102921 445493368 /nfs/dbraw/zinc/49/33/68/445493368.db2.gz VIFTZYLMCYOKFC-MAUKXSAKSA-N 1 3 348.491 1.113 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000349408590 445579562 /nfs/dbraw/zinc/57/95/62/445579562.db2.gz GDAJIIUMISNAPY-INIZCTEOSA-N 1 3 340.512 1.166 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(CCN(C)C)C(C)C ZINC000349408590 445579567 /nfs/dbraw/zinc/57/95/67/445579567.db2.gz GDAJIIUMISNAPY-INIZCTEOSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C(N)C(F)(F)F)Cc1ccccc1 ZINC000353437048 445601780 /nfs/dbraw/zinc/60/17/80/445601780.db2.gz YHNAAHZKZFFISP-ZIAGYGMSSA-N 1 3 331.382 1.945 20 0 EDADHO C[C@H]1CN(C(=O)C2CC[NH+](CCCN3CCCC3)CC2)C[C@H](C)O1 ZINC000363006395 445647164 /nfs/dbraw/zinc/64/71/64/445647164.db2.gz HDBFCUXJGFYYAS-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360243149 445652097 /nfs/dbraw/zinc/65/20/97/445652097.db2.gz UDKZPHWNHOMHRT-GDBMZVCRSA-N 1 3 328.526 1.597 20 0 EDADHO CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000353554082 445654595 /nfs/dbraw/zinc/65/45/95/445654595.db2.gz UMROZGGPUGLVBZ-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO O[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCCC1 ZINC000360248226 445654829 /nfs/dbraw/zinc/65/48/29/445654829.db2.gz GQAYPLCBXWZQJV-LJQANCHMSA-N 1 3 332.492 1.482 20 0 EDADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000353569573 445660723 /nfs/dbraw/zinc/66/07/23/445660723.db2.gz RJDRDUDECVPCRF-GOSISDBHSA-N 1 3 340.556 1.493 20 0 EDADHO CCN(CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000356284383 445717675 /nfs/dbraw/zinc/71/76/75/445717675.db2.gz PGBTYBHQAXJANZ-UHFFFAOYSA-N 1 3 338.496 1.415 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000353595525 445671691 /nfs/dbraw/zinc/67/16/91/445671691.db2.gz ZYQUZFMQVFKUQF-CQSZACIVSA-N 1 3 335.452 1.262 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467883 445773582 /nfs/dbraw/zinc/77/35/82/445773582.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO c1ccc(CC[NH+]2CCC(NCCNc3cnccn3)CC2)cc1 ZINC000361365433 445763378 /nfs/dbraw/zinc/76/33/78/445763378.db2.gz KDBUEIQGABETMS-UHFFFAOYSA-N 1 3 325.460 2.185 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000363437040 445802011 /nfs/dbraw/zinc/80/20/11/445802011.db2.gz NVKWXCYINOMKBZ-MRXNPFEDSA-N 1 3 348.495 1.640 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(CCn3cccn3)CC2)CC[NH2+]1 ZINC000358860819 445816108 /nfs/dbraw/zinc/81/61/08/445816108.db2.gz RIEUTIUFVRAPTK-CVEARBPZSA-N 1 3 333.480 1.194 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCSC3)CC2)CC1 ZINC000361763880 445925985 /nfs/dbraw/zinc/92/59/85/445925985.db2.gz JLEIADGEDRWCLL-HNNXBMFYSA-N 1 3 340.537 1.740 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364060887 445893666 /nfs/dbraw/zinc/89/36/66/445893666.db2.gz RTHMWVLMORDREW-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H](O)COC(=O)CCN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000369076281 445912344 /nfs/dbraw/zinc/91/23/44/445912344.db2.gz JYLLJNAKWBIDNY-MRXNPFEDSA-N 1 3 326.481 1.744 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000583386369 326063448 /nfs/dbraw/zinc/06/34/48/326063448.db2.gz UDPYTIFCOZLIPD-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000369345432 446089841 /nfs/dbraw/zinc/08/98/41/446089841.db2.gz LAUVRODFUSKEPF-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000369345432 446089844 /nfs/dbraw/zinc/08/98/44/446089844.db2.gz LAUVRODFUSKEPF-IBGZPJMESA-N 1 3 344.503 1.600 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000359266887 446103587 /nfs/dbraw/zinc/10/35/87/446103587.db2.gz UXOOJHDZNRLEAF-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000359266887 446103596 /nfs/dbraw/zinc/10/35/96/446103596.db2.gz UXOOJHDZNRLEAF-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359274861 446111212 /nfs/dbraw/zinc/11/12/12/446111212.db2.gz FBIGZGPUJLNYCT-OAHLLOKOSA-N 1 3 336.480 1.167 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362027030 446163463 /nfs/dbraw/zinc/16/34/63/446163463.db2.gz XQBXYWHBLWBLJM-UHFFFAOYSA-N 1 3 344.459 1.701 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000373300114 446153941 /nfs/dbraw/zinc/15/39/41/446153941.db2.gz QGXQJYPGYRBZBB-OAHLLOKOSA-N 1 3 335.492 1.573 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1)C(C)C ZINC000359401814 446202787 /nfs/dbraw/zinc/20/27/87/446202787.db2.gz QSXSZNLUXHWQTF-JKSUJKDBSA-N 1 3 340.512 1.020 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](N(C)C)C1)C(C)C ZINC000359419268 446212651 /nfs/dbraw/zinc/21/26/51/446212651.db2.gz YTZQFQWXRXKVHJ-INIZCTEOSA-N 1 3 340.512 1.164 20 0 EDADHO CN1CCN(C(=O)CCN2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288073 446214894 /nfs/dbraw/zinc/21/48/94/446214894.db2.gz LKDWSYSDUFFNIF-SFHVURJKSA-N 1 3 336.524 1.348 20 0 EDADHO OC[C@H]1[C@@H]2CN(Cc3cccc(C[N@@H+]4C[C@H]5[C@H](CO)[C@H]5C4)c3)C[C@H]12 ZINC000366444459 446218239 /nfs/dbraw/zinc/21/82/39/446218239.db2.gz RPRUGTAREJILJV-BVFILSHUSA-N 1 3 328.456 1.027 20 0 EDADHO OC[C@H]1[C@@H]2CN(Cc3cccc(C[N@H+]4C[C@H]5[C@H](CO)[C@H]5C4)c3)C[C@H]12 ZINC000366444459 446218246 /nfs/dbraw/zinc/21/82/46/446218246.db2.gz RPRUGTAREJILJV-BVFILSHUSA-N 1 3 328.456 1.027 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498338 446231775 /nfs/dbraw/zinc/23/17/75/446231775.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498338 446231776 /nfs/dbraw/zinc/23/17/76/446231776.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000366597491 446275249 /nfs/dbraw/zinc/27/52/49/446275249.db2.gz NNYSMXQJMPOODK-IPELMVKDSA-N 1 3 335.467 1.817 20 0 EDADHO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000366597491 446275250 /nfs/dbraw/zinc/27/52/50/446275250.db2.gz NNYSMXQJMPOODK-IPELMVKDSA-N 1 3 335.467 1.817 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660159 446292142 /nfs/dbraw/zinc/29/21/42/446292142.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 1 3 343.487 1.816 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCO1 ZINC000365660159 446292147 /nfs/dbraw/zinc/29/21/47/446292147.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 1 3 343.487 1.816 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541629 446323965 /nfs/dbraw/zinc/32/39/65/446323965.db2.gz HZNVHCHHIQYHMI-WBVHZDCISA-N 1 3 331.460 1.870 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541629 446323969 /nfs/dbraw/zinc/32/39/69/446323969.db2.gz HZNVHCHHIQYHMI-WBVHZDCISA-N 1 3 331.460 1.870 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000370612067 446358378 /nfs/dbraw/zinc/35/83/78/446358378.db2.gz HXHOSUXRYPAHPM-LJQANCHMSA-N 1 3 327.472 1.893 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000417527505 446361389 /nfs/dbraw/zinc/36/13/89/446361389.db2.gz OAYIDZQKVWSKHI-UHFFFAOYSA-N 1 3 334.464 1.350 20 0 EDADHO COC[C@]1(CNC(=O)NCCN2[C@H](C)CCC[C@H]2C)CCC[NH2+]1 ZINC000417528711 446362001 /nfs/dbraw/zinc/36/20/01/446362001.db2.gz FNHKOYBARDSHCT-BFYDXBDKSA-N 1 3 326.485 1.317 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423137903 446435963 /nfs/dbraw/zinc/43/59/63/446435963.db2.gz XGKPKXFEIRKCSN-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099199 446440066 /nfs/dbraw/zinc/44/00/66/446440066.db2.gz BSQZJFIBNXZLQW-AZUAARDMSA-N 1 3 342.487 1.904 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417981810 446406960 /nfs/dbraw/zinc/40/69/60/446406960.db2.gz ANVDCYOAONQWHZ-CRAIPNDOSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417988242 446409400 /nfs/dbraw/zinc/40/94/00/446409400.db2.gz ILOXBGAFTXERKZ-QGTPRVQTSA-N 1 3 346.475 1.193 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039676 446423132 /nfs/dbraw/zinc/42/31/32/446423132.db2.gz USCXWEAEFFLGDO-ZWKOTPCHSA-N 1 3 348.491 1.512 20 0 EDADHO CCO[C@@H]1C[C@@H](O)C12CCN(C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000420315102 446480294 /nfs/dbraw/zinc/48/02/94/446480294.db2.gz ZQYDCZYDEXSHTP-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](CN)c1ccc(OC)cc1)CC2 ZINC000420315102 446480300 /nfs/dbraw/zinc/48/03/00/446480300.db2.gz ZQYDCZYDEXSHTP-QXAKKESOSA-N 1 3 348.487 1.989 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423329015 446490006 /nfs/dbraw/zinc/49/00/06/446490006.db2.gz MOXZKQBPKJSGGD-PMPSAXMXSA-N 1 3 347.507 1.737 20 0 EDADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324807 446490956 /nfs/dbraw/zinc/49/09/56/446490956.db2.gz HPUWJQIRHHUYOY-OWLYRPNTSA-N 1 3 337.508 1.994 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc12 ZINC000420334468 446504883 /nfs/dbraw/zinc/50/48/83/446504883.db2.gz GLJBVHPSAXQZME-HZPDHXFCSA-N 1 3 326.444 1.824 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423375625 446508272 /nfs/dbraw/zinc/50/82/72/446508272.db2.gz UKRPISCHLWDPLB-APWZRJJASA-N 1 3 329.444 1.581 20 0 EDADHO COc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342318 446513070 /nfs/dbraw/zinc/51/30/70/446513070.db2.gz PGNADXYOAYYVJC-SJORKVTESA-N 1 3 331.460 1.633 20 0 EDADHO CC1CCN(CCNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423341054 446496681 /nfs/dbraw/zinc/49/66/81/446496681.db2.gz WKLZZPOGEOHUJE-OAHLLOKOSA-N 1 3 333.480 1.349 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418322701 446497069 /nfs/dbraw/zinc/49/70/69/446497069.db2.gz DAELCAPYSKVBTC-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)N(C(=O)[C@@H](C)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000420329684 446498282 /nfs/dbraw/zinc/49/82/82/446498282.db2.gz ORRJUTCUGDXSLP-OIISXLGYSA-N 1 3 325.497 1.849 20 0 EDADHO [NH3+]C[C@@H]1CN(CCOCCOc2ccccc2)CC12CCOCC2 ZINC000420329699 446499579 /nfs/dbraw/zinc/49/95/79/446499579.db2.gz OSSSCUAWJCSMPK-QGZVFWFLSA-N 1 3 334.460 1.769 20 0 EDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCc2cc(Br)ccc2C1 ZINC000423412904 446523674 /nfs/dbraw/zinc/52/36/74/446523674.db2.gz XNQXKWLJMHRZRK-VHDGCEQUSA-N 1 3 325.250 1.476 20 0 EDADHO [NH3+]C1CCC(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000418401181 446529283 /nfs/dbraw/zinc/52/92/83/446529283.db2.gz NIWINDZTRZYLIJ-FAFZWHIHSA-N 1 3 346.475 1.193 20 0 EDADHO CN(CCN1CCN(C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000418419043 446538958 /nfs/dbraw/zinc/53/89/58/446538958.db2.gz YZQNLXSTSHYJTC-UHFFFAOYSA-N 1 3 347.507 1.183 20 0 EDADHO C[C@H](Cc1ccc(F)cc1Br)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423443286 446541577 /nfs/dbraw/zinc/54/15/77/446541577.db2.gz WWXZFKURDBWBQD-UDZFHETQSA-N 1 3 331.229 1.689 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418502216 446568933 /nfs/dbraw/zinc/56/89/33/446568933.db2.gz UESHOZQJRXMDLZ-GOSISDBHSA-N 1 3 332.492 1.930 20 0 EDADHO C[NH2+]CCCN(C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000420393266 446569229 /nfs/dbraw/zinc/56/92/29/446569229.db2.gz XHIZVJQUGMNJTK-UHFFFAOYSA-N 1 3 346.519 1.571 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433451187 446575176 /nfs/dbraw/zinc/57/51/76/446575176.db2.gz BIUFZSMEDCUBOA-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CN(CCN1CCN(C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000418515049 446577048 /nfs/dbraw/zinc/57/70/48/446577048.db2.gz VANJBTPQMNJHOM-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418529281 446581989 /nfs/dbraw/zinc/58/19/89/446581989.db2.gz SZKOMIGUQIYCJT-ICSRJNTNSA-N 1 3 342.487 1.904 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418543822 446587919 /nfs/dbraw/zinc/58/79/19/446587919.db2.gz BVTIPKNOUAMYME-QZTJIDSGSA-N 1 3 345.491 1.687 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCN(CCCc2ccccc2)CC1 ZINC000418669547 446643179 /nfs/dbraw/zinc/64/31/79/446643179.db2.gz JSRRBKCQGKHRDQ-BWTSREIZSA-N 1 3 342.487 1.554 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418754913 446674706 /nfs/dbraw/zinc/67/47/06/446674706.db2.gz IBUYOJPLYMJXPJ-KBPBESRZSA-N 1 3 330.423 1.357 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418754913 446674714 /nfs/dbraw/zinc/67/47/14/446674714.db2.gz IBUYOJPLYMJXPJ-KBPBESRZSA-N 1 3 330.423 1.357 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000418774724 446691879 /nfs/dbraw/zinc/69/18/79/446691879.db2.gz VVTXTTJFZIEXFN-KBPBESRZSA-N 1 3 348.438 1.126 20 0 EDADHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000423748214 446678342 /nfs/dbraw/zinc/67/83/42/446678342.db2.gz QHJCWPDGLWCZRZ-GFCCVEGCSA-N 1 3 325.403 1.711 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000418865333 446761104 /nfs/dbraw/zinc/76/11/04/446761104.db2.gz RKJIVBBVELLSIX-OAHLLOKOSA-N 1 3 334.464 1.039 20 0 EDADHO CN(CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775209 /nfs/dbraw/zinc/77/52/09/446775209.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 1 3 348.510 1.969 20 0 EDADHO CN(CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775215 /nfs/dbraw/zinc/77/52/15/446775215.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 1 3 348.510 1.969 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423943863 446792155 /nfs/dbraw/zinc/79/21/55/446792155.db2.gz GWHWNISLGWYLRV-SFHVURJKSA-N 1 3 330.476 1.394 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000454305174 446838654 /nfs/dbraw/zinc/83/86/54/446838654.db2.gz GLOQOCUULLWSDP-INIZCTEOSA-N 1 3 347.507 1.183 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000419017477 446869233 /nfs/dbraw/zinc/86/92/33/446869233.db2.gz AWDRYFYOKYVJIA-KLHDSHLOSA-N 1 3 340.512 1.103 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000424455828 446874637 /nfs/dbraw/zinc/87/46/37/446874637.db2.gz ODFWNJSJBDYGOG-UHFFFAOYSA-N 1 3 332.448 1.381 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1 ZINC000424458641 446876225 /nfs/dbraw/zinc/87/62/25/446876225.db2.gz UOILXCLOYZFUFJ-UKRRQHHQSA-N 1 3 346.475 1.629 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454564616 446912391 /nfs/dbraw/zinc/91/23/91/446912391.db2.gz ZFVIYEPECFITBJ-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@@H+]1C ZINC000371765770 446959464 /nfs/dbraw/zinc/95/94/64/446959464.db2.gz MTEOHZNLJNQKDD-SJLPKXTDSA-N 1 3 347.507 1.924 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CCN3CCCCC3)c2)CC[N@H+]1C ZINC000371765770 446959471 /nfs/dbraw/zinc/95/94/71/446959471.db2.gz MTEOHZNLJNQKDD-SJLPKXTDSA-N 1 3 347.507 1.924 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419163974 446981386 /nfs/dbraw/zinc/98/13/86/446981386.db2.gz MGFSPCKXQSAQLF-WBVHZDCISA-N 1 3 348.491 1.065 20 0 EDADHO CCc1nc(CN2C[C@@H]3C[N@H+](CCCN(CC)CC)C[C@@H]3C2)no1 ZINC000377209864 446994424 /nfs/dbraw/zinc/99/44/24/446994424.db2.gz RBEGPILMBSBGLF-IYBDPMFKSA-N 1 3 335.496 1.728 20 0 EDADHO CCc1nc(CN2C[C@@H]3C[N@@H+](CCCN(CC)CC)C[C@@H]3C2)no1 ZINC000377209864 446994429 /nfs/dbraw/zinc/99/44/29/446994429.db2.gz RBEGPILMBSBGLF-IYBDPMFKSA-N 1 3 335.496 1.728 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462407 447064812 /nfs/dbraw/zinc/06/48/12/447064812.db2.gz HNGIHMWDRGBXKT-FCEWJHQRSA-N 1 3 335.492 1.510 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813222 447126478 /nfs/dbraw/zinc/12/64/78/447126478.db2.gz DKZUIBQVJNPKFA-SCLBCKFNSA-N 1 3 344.415 1.094 20 0 EDADHO C[NH2+]CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000375976273 447186894 /nfs/dbraw/zinc/18/68/94/447186894.db2.gz TZMUVZRQAAZPLD-INIZCTEOSA-N 1 3 332.448 1.401 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536796 447188837 /nfs/dbraw/zinc/18/88/37/447188837.db2.gz WYZSGTNYQUEABA-SJORKVTESA-N 1 3 347.459 1.295 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000377536796 447188842 /nfs/dbraw/zinc/18/88/42/447188842.db2.gz WYZSGTNYQUEABA-SJORKVTESA-N 1 3 347.459 1.295 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1CN(C)C ZINC000415530124 447498939 /nfs/dbraw/zinc/49/89/39/447498939.db2.gz UCEPNLMZWOIRMU-UONOGXRCSA-N 1 3 332.448 1.191 20 0 EDADHO C[C@@H](NCC(=O)Nc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000396469934 447544601 /nfs/dbraw/zinc/54/46/01/447544601.db2.gz WIJOJDIZTQEZJF-CYBMUJFWSA-N 1 3 333.432 1.716 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420011473 447544599 /nfs/dbraw/zinc/54/45/99/447544599.db2.gz GVBJAIBNPLMNBS-HZPDHXFCSA-N 1 3 340.512 1.201 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])N[C@H](C)c1ccccc1 ZINC000420020525 447550041 /nfs/dbraw/zinc/55/00/41/447550041.db2.gz FRBPKKOXYZYBTM-BFYDXBDKSA-N 1 3 348.491 1.332 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000427271262 447571626 /nfs/dbraw/zinc/57/16/26/447571626.db2.gz COQUNUJWFOECNP-LJQANCHMSA-N 1 3 344.503 1.440 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459243906 447620718 /nfs/dbraw/zinc/62/07/18/447620718.db2.gz AIPGPPSLANAPPI-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459243906 447620725 /nfs/dbraw/zinc/62/07/25/447620725.db2.gz AIPGPPSLANAPPI-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903638 447702506 /nfs/dbraw/zinc/70/25/06/447702506.db2.gz CNJJWOPDFBOCJM-QAPCUYQASA-N 1 3 348.491 1.987 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CNCCO1 ZINC000416889467 447702874 /nfs/dbraw/zinc/70/28/74/447702874.db2.gz KSJJRPMYMXJKHQ-QGZVFWFLSA-N 1 3 334.464 1.316 20 0 EDADHO CN1CCN(CC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000496397663 447763807 /nfs/dbraw/zinc/76/38/07/447763807.db2.gz HPQIHHXEWGQBKN-UHFFFAOYSA-N 1 3 340.512 1.658 20 0 EDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715824 447725775 /nfs/dbraw/zinc/72/57/75/447725775.db2.gz MTTNYHKFQZQWFS-MSOLQXFVSA-N 1 3 346.523 1.486 20 0 EDADHO C[NH2+]CCCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417014998 447729607 /nfs/dbraw/zinc/72/96/07/447729607.db2.gz GCRNBWWSOVYDNX-GOSISDBHSA-N 1 3 347.507 1.274 20 0 EDADHO O=C1O[C@@]2(CN1CN1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186509 447736975 /nfs/dbraw/zinc/73/69/75/447736975.db2.gz CUOXMJYIMAXJES-HHXXYDBFSA-N 1 3 349.475 1.752 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000422754139 447739698 /nfs/dbraw/zinc/73/96/98/447739698.db2.gz ACHJRJIOLSPPIZ-YSIASYRMSA-N 1 3 346.519 1.146 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914449 447771491 /nfs/dbraw/zinc/77/14/91/447771491.db2.gz UGQLCYOQTDTZHG-MAUKXSAKSA-N 1 3 332.492 1.598 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458337849 447772599 /nfs/dbraw/zinc/77/25/99/447772599.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000458337849 447772604 /nfs/dbraw/zinc/77/26/04/447772604.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO O[C@@H](C[NH2+]C1CCNCC1)COc1ccccc1Br ZINC000422941461 447777065 /nfs/dbraw/zinc/77/70/65/447777065.db2.gz OOUUENZBEZLILZ-LBPRGKRZSA-N 1 3 329.238 1.530 20 0 EDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950217 447778578 /nfs/dbraw/zinc/77/85/78/447778578.db2.gz XLWNTANWSZUECU-HUUCEWRRSA-N 1 3 339.505 1.803 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000575812505 447905086 /nfs/dbraw/zinc/90/50/86/447905086.db2.gz MBAOSHMITNPVIG-OALUTQOASA-N 1 3 349.519 1.963 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572006 447917743 /nfs/dbraw/zinc/91/77/43/447917743.db2.gz NOQRDDIBVPUVQB-XLIONFOSSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530572006 447917749 /nfs/dbraw/zinc/91/77/49/447917749.db2.gz NOQRDDIBVPUVQB-XLIONFOSSA-N 1 3 345.487 1.614 20 0 EDADHO Cc1cc(Cl)ccc1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641974 447932520 /nfs/dbraw/zinc/93/25/20/447932520.db2.gz AGRTZPYKAURUQF-UHFFFAOYSA-N 1 3 341.883 1.979 20 0 EDADHO CCOCCN(C)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553208340 447977755 /nfs/dbraw/zinc/97/77/55/447977755.db2.gz ATQONPBBZXOWOM-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297372 448057004 /nfs/dbraw/zinc/05/70/04/448057004.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297372 448057007 /nfs/dbraw/zinc/05/70/07/448057007.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 1 3 331.460 1.081 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1OC(F)F ZINC000531358025 448069418 /nfs/dbraw/zinc/06/94/18/448069418.db2.gz XHVVZANOTSALAY-UHFFFAOYSA-N 1 3 343.418 1.782 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000531484978 448092449 /nfs/dbraw/zinc/09/24/49/448092449.db2.gz MLGIQDGYNMMSPP-HLLBOEOZSA-N 1 3 338.496 1.004 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)N1CCCC1 ZINC000527072295 448153133 /nfs/dbraw/zinc/15/31/33/448153133.db2.gz PFZZMGLTAZFGAU-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000514606230 448172033 /nfs/dbraw/zinc/17/20/33/448172033.db2.gz VGSZWFGYVKBITI-JTDSTZFVSA-N 1 3 345.487 1.879 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000571644873 448186178 /nfs/dbraw/zinc/18/61/78/448186178.db2.gz VBEHEOYJKNILSH-UGSOOPFHSA-N 1 3 347.507 1.956 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000571679575 448189692 /nfs/dbraw/zinc/18/96/92/448189692.db2.gz NGBVGIMDJBHYFS-LSDHHAIUSA-N 1 3 338.402 1.407 20 0 EDADHO COc1ccc2[nH]c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1 ZINC000527313226 448208185 /nfs/dbraw/zinc/20/81/85/448208185.db2.gz CDVUBJDRGNXQPM-UHFFFAOYSA-N 1 3 332.448 1.742 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CC[C@H]1c1ccc(F)cc1 ZINC000582600948 448285228 /nfs/dbraw/zinc/28/52/28/448285228.db2.gz KZXDFUFORFSGDJ-IXDOHACOSA-N 1 3 335.423 1.238 20 0 EDADHO COc1cccc([C@H](C)N2CCN(CCN3CC[NH2+]CC3)CC2)c1 ZINC000572124283 448295410 /nfs/dbraw/zinc/29/54/10/448295410.db2.gz PDZVNCMLQXQZHY-KRWDZBQOSA-N 1 3 332.492 1.279 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296940 448437452 /nfs/dbraw/zinc/43/74/52/448437452.db2.gz AEXFXQRITOEQQG-MRXNPFEDSA-N 1 3 326.529 1.545 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000516867168 448486501 /nfs/dbraw/zinc/48/65/01/448486501.db2.gz LRDOAJDUFRNCJA-UHFFFAOYSA-N 1 3 340.427 1.462 20 0 EDADHO c1ccc(-c2n[nH]c(C3CCN(CCN4CC[NH2+]CC4)CC3)n2)cc1 ZINC000517236665 448559796 /nfs/dbraw/zinc/55/97/96/448559796.db2.gz DLIMQZGWZVHZTO-UHFFFAOYSA-N 1 3 340.475 1.556 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@H]2CNCCC2(F)F)CCCCCC1 ZINC000584579684 448575869 /nfs/dbraw/zinc/57/58/69/448575869.db2.gz BJDGEYRTEWZHFR-ZDUSSCGKSA-N 1 3 332.439 1.937 20 0 EDADHO CCO[C@H]1C[C@@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000584729338 448613382 /nfs/dbraw/zinc/61/33/82/448613382.db2.gz GYYODFLSZBDORU-MAEOIBBWSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(NC(=O)COC2CC[NH2+]CC2)n(C2CCN(C)CC2)n1 ZINC000578872331 448658584 /nfs/dbraw/zinc/65/85/84/448658584.db2.gz WEMDQLUUVSBVBG-UHFFFAOYSA-N 1 3 335.452 1.165 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(C[C@H]3CCOC3)CC2)nc1 ZINC000518759366 448706229 /nfs/dbraw/zinc/70/62/29/448706229.db2.gz QVBNUWSNJWRXCB-MRXNPFEDSA-N 1 3 346.475 1.809 20 0 EDADHO C[N@H+](CCN1CCN(CC[C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000568169155 448828100 /nfs/dbraw/zinc/82/81/00/448828100.db2.gz CTJGOBURLPHPBD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO C[N@@H+](CCN1CCN(CC[C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000568169155 448828108 /nfs/dbraw/zinc/82/81/08/448828108.db2.gz CTJGOBURLPHPBD-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)n2)CC1 ZINC000579810573 448881602 /nfs/dbraw/zinc/88/16/02/448881602.db2.gz WDSSCAYHMCKQDJ-OAHLLOKOSA-N 1 3 348.495 2.050 20 0 EDADHO CN1CCC(N2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)CC1 ZINC000579943866 448915529 /nfs/dbraw/zinc/91/55/29/448915529.db2.gz VNGNQBRWTHBMNB-UHFFFAOYSA-N 1 3 345.491 1.558 20 0 EDADHO CC1CCN(CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000574783863 448956640 /nfs/dbraw/zinc/95/66/40/448956640.db2.gz YMXYMGUPQNDBJN-HNNXBMFYSA-N 1 3 331.464 1.751 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@H](C)O)CC2)CC1 ZINC000582310803 449064393 /nfs/dbraw/zinc/06/43/93/449064393.db2.gz UBSIYTZSZWMIIU-CABCVRRESA-N 1 3 325.497 1.458 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000611696495 449386185 /nfs/dbraw/zinc/38/61/85/449386185.db2.gz QWVKYDWCWRYWGN-GOSISDBHSA-N 1 3 345.487 1.439 20 0 EDADHO Cc1noc(Cl)c1CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504761 449650545 /nfs/dbraw/zinc/65/05/45/449650545.db2.gz JMRAHVAJZRKVSV-LBPRGKRZSA-N 1 3 344.887 1.957 20 0 EDADHO Cc1noc(Cl)c1CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504761 449650549 /nfs/dbraw/zinc/65/05/49/449650549.db2.gz JMRAHVAJZRKVSV-LBPRGKRZSA-N 1 3 344.887 1.957 20 0 EDADHO Cc1cn2ccnc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c2n1 ZINC000617507119 449655936 /nfs/dbraw/zinc/65/59/36/449655936.db2.gz IYJZWFXNXQIRJG-ZDUSSCGKSA-N 1 3 332.452 1.040 20 0 EDADHO Cc1cn2ccnc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c2n1 ZINC000617507119 449655942 /nfs/dbraw/zinc/65/59/42/449655942.db2.gz IYJZWFXNXQIRJG-ZDUSSCGKSA-N 1 3 332.452 1.040 20 0 EDADHO CN(CCN(C)C1CCCCC1)C(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602498051 449632006 /nfs/dbraw/zinc/63/20/06/449632006.db2.gz COUBXFHELITGPD-QHCPKHFHSA-N 1 3 343.537 1.210 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[N@@H+]1C ZINC000617696820 449740632 /nfs/dbraw/zinc/74/06/32/449740632.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 1 3 331.460 1.210 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CC[N@H+]1C ZINC000617696820 449740635 /nfs/dbraw/zinc/74/06/35/449740635.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 1 3 331.460 1.210 20 0 EDADHO COC(=O)CCN1CC[C@H](N2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000595309361 450021647 /nfs/dbraw/zinc/02/16/47/450021647.db2.gz RPOMRFCDXZQZQA-INIZCTEOSA-N 1 3 339.480 1.203 20 0 EDADHO COC(=O)CCN1CC[C@H](N2CCC(C[N@@H+](C)C(C)C)CC2)C1=O ZINC000595309361 450021650 /nfs/dbraw/zinc/02/16/50/450021650.db2.gz RPOMRFCDXZQZQA-INIZCTEOSA-N 1 3 339.480 1.203 20 0 EDADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000615270185 450034585 /nfs/dbraw/zinc/03/45/85/450034585.db2.gz PCQPICVYHLXNEW-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC(C)(C)C)n1 ZINC000625286513 450274150 /nfs/dbraw/zinc/27/41/50/450274150.db2.gz HRGLDCXEIXJCGG-UHFFFAOYSA-N 1 3 336.480 1.824 20 0 EDADHO Cn1cc(CC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353215 /nfs/dbraw/zinc/35/32/15/450353215.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 1 3 325.460 1.956 20 0 EDADHO Cn1cc(CC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353217 /nfs/dbraw/zinc/35/32/17/450353217.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 1 3 325.460 1.956 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415816 450518652 /nfs/dbraw/zinc/51/86/52/450518652.db2.gz YJNSQRBQRQFRSF-LSDHHAIUSA-N 1 3 330.476 1.827 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000623415816 450518654 /nfs/dbraw/zinc/51/86/54/450518654.db2.gz YJNSQRBQRQFRSF-LSDHHAIUSA-N 1 3 330.476 1.827 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000631669805 450703919 /nfs/dbraw/zinc/70/39/19/450703919.db2.gz NWEMXKCWQXEXMU-UHFFFAOYSA-N 1 3 349.523 1.933 20 0 EDADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCCOCCC[NH3+])cc1 ZINC000629542494 450729227 /nfs/dbraw/zinc/72/92/27/450729227.db2.gz ZGRCROAHQDHPOQ-CYBMUJFWSA-N 1 3 329.466 1.464 20 0 EDADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629523441 450724858 /nfs/dbraw/zinc/72/48/58/450724858.db2.gz GOMSZOIGAYTNMW-KRWDZBQOSA-N 1 3 329.448 1.815 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2nc3c(s2)CNCC3)CC[C@@H]1C(F)(F)F ZINC000629653995 450772536 /nfs/dbraw/zinc/77/25/36/450772536.db2.gz KZFAQMJCHOZQSU-UWVGGRQHSA-N 1 3 334.411 1.748 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908709 450867293 /nfs/dbraw/zinc/86/72/93/450867293.db2.gz XTEUTKIQJGNDMH-HOTGVXAUSA-N 1 3 329.510 1.266 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)CC1 ZINC000629948477 450909024 /nfs/dbraw/zinc/90/90/24/450909024.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 1 3 344.503 1.535 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)CC1 ZINC000629948477 450909030 /nfs/dbraw/zinc/90/90/30/450909030.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 1 3 344.503 1.535 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919251 /nfs/dbraw/zinc/91/92/51/450919251.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919256 /nfs/dbraw/zinc/91/92/56/450919256.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO CCN1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000626923046 451006628 /nfs/dbraw/zinc/00/66/28/451006628.db2.gz KHCZALYLULWDKU-AAEUAGOBSA-N 1 3 336.402 1.639 20 0 EDADHO CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000626923054 451006660 /nfs/dbraw/zinc/00/66/60/451006660.db2.gz KHCZALYLULWDKU-WCQYABFASA-N 1 3 336.402 1.639 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCOCC1 ZINC000626934269 451016443 /nfs/dbraw/zinc/01/64/43/451016443.db2.gz CZTRYMLDMYKDFD-QGZVFWFLSA-N 1 3 346.475 1.631 20 0 EDADHO CCN(CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964904 451038223 /nfs/dbraw/zinc/03/82/23/451038223.db2.gz LLAYAVIIDMLDFD-WCQYABFASA-N 1 3 336.402 1.639 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000626996867 451063512 /nfs/dbraw/zinc/06/35/12/451063512.db2.gz HGIVZZXXKBGCAU-UHXUPSOCSA-N 1 3 348.413 1.780 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570776 451069122 /nfs/dbraw/zinc/06/91/22/451069122.db2.gz LXKZRYKXFARWIX-KRWDZBQOSA-N 1 3 334.508 1.101 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2N)CC[N@@H+]1Cc1ccccc1 ZINC000638113391 451280781 /nfs/dbraw/zinc/28/07/81/451280781.db2.gz SQYAIEMXHVQMHG-NRSFXHEJSA-N 1 3 331.460 1.614 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2N)CC[N@H+]1Cc1ccccc1 ZINC000638113391 451280784 /nfs/dbraw/zinc/28/07/84/451280784.db2.gz SQYAIEMXHVQMHG-NRSFXHEJSA-N 1 3 331.460 1.614 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172320 451335157 /nfs/dbraw/zinc/33/51/57/451335157.db2.gz ZCQSDEGVPKFINK-LJQANCHMSA-N 1 3 340.471 1.433 20 0 EDADHO CC(C)[C@@H](CNC(=O)c1cnn(CCN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000630731443 451367857 /nfs/dbraw/zinc/36/78/57/451367857.db2.gz HKXJKYUHTYNWNO-GOSISDBHSA-N 1 3 349.523 1.931 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)c2cnn(CCN(C)C)c2)([NH+](C)C)C1 ZINC000630804624 451411571 /nfs/dbraw/zinc/41/15/71/451411571.db2.gz SWSILLHOOKFWJR-CRAIPNDOSA-N 1 3 335.496 1.685 20 0 EDADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)CC1(O)CCOCC1 ZINC000634699519 451472424 /nfs/dbraw/zinc/47/24/24/451472424.db2.gz KRIPFXNJZWKVNP-IBGZPJMESA-N 1 3 348.487 1.665 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000638402697 451490449 /nfs/dbraw/zinc/49/04/49/451490449.db2.gz OHLFGZLCRSUXIQ-MRXNPFEDSA-N 1 3 333.480 1.297 20 0 EDADHO O[C@]1(CNCCO[C@@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634649506 451443324 /nfs/dbraw/zinc/44/33/24/451443324.db2.gz OVWOSCITLLOLCD-CVEARBPZSA-N 1 3 326.387 1.637 20 0 EDADHO O[C@]1(CNCCO[C@@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649506 451443329 /nfs/dbraw/zinc/44/33/29/451443329.db2.gz OVWOSCITLLOLCD-CVEARBPZSA-N 1 3 326.387 1.637 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000636026765 451447460 /nfs/dbraw/zinc/44/74/60/451447460.db2.gz RGVOCNLPZJWVII-SFHVURJKSA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000636026765 451447463 /nfs/dbraw/zinc/44/74/63/451447463.db2.gz RGVOCNLPZJWVII-SFHVURJKSA-N 1 3 345.487 1.472 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000638425294 451508339 /nfs/dbraw/zinc/50/83/39/451508339.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 1 3 334.464 1.287 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638425294 451508343 /nfs/dbraw/zinc/50/83/43/451508343.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 1 3 334.464 1.287 20 0 EDADHO Cc1cc(CN)oc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638425294 451508346 /nfs/dbraw/zinc/50/83/46/451508346.db2.gz FBMNFQILJOFIPT-HNNXBMFYSA-N 1 3 334.464 1.287 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCN(C4CC4)C3)cn2)CC1 ZINC000636789671 451510712 /nfs/dbraw/zinc/51/07/12/451510712.db2.gz IVLXMVLWXLNLBL-ZDUSSCGKSA-N 1 3 332.452 1.508 20 0 EDADHO CCN(CC[NH3+])C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000638513936 451553913 /nfs/dbraw/zinc/55/39/13/451553913.db2.gz YCKVFTLUKZSZCQ-IBGZPJMESA-N 1 3 341.455 1.943 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561047 /nfs/dbraw/zinc/56/10/47/451561047.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561052 /nfs/dbraw/zinc/56/10/52/451561052.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 1 3 331.460 1.211 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631063273 451562901 /nfs/dbraw/zinc/56/29/01/451562901.db2.gz JSRURZDHNHPKLA-OAHLLOKOSA-N 1 3 340.537 1.695 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]CC2(N3CCCC3)CCOCC2)CC1 ZINC000638556937 451574929 /nfs/dbraw/zinc/57/49/29/451574929.db2.gz NKEQWRJKNLTLIQ-UHFFFAOYSA-N 1 3 339.524 1.456 20 0 EDADHO CN(CCOCC[NH3+])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000638676653 451646927 /nfs/dbraw/zinc/64/69/27/451646927.db2.gz ZOECYDAYVCZOSE-MRXNPFEDSA-N 1 3 337.439 1.471 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000638914133 451734541 /nfs/dbraw/zinc/73/45/41/451734541.db2.gz MQLWMEBPUDONHZ-WMZOPIPTSA-N 1 3 328.460 1.403 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2c(cn1)OCCO2 ZINC000639169553 451783617 /nfs/dbraw/zinc/78/36/17/451783617.db2.gz FICJDURFGZFZLS-UHFFFAOYSA-N 1 3 334.464 1.311 20 0 EDADHO CN(CC(C)(C)N1CCOCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000639173198 451785083 /nfs/dbraw/zinc/78/50/83/451785083.db2.gz WJTDWKKGLCSDMK-SFHVURJKSA-N 1 3 338.540 1.198 20 0 EDADHO CN(CC(C)(C)N1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000639173198 451785086 /nfs/dbraw/zinc/78/50/86/451785086.db2.gz WJTDWKKGLCSDMK-SFHVURJKSA-N 1 3 338.540 1.198 20 0 EDADHO C[C@H](C[C@@H]1CCCC(=O)N1)NCc1ccncc1OCCC[NH+](C)C ZINC000639186053 451787974 /nfs/dbraw/zinc/78/79/74/451787974.db2.gz XWXZPYUJQYZWCQ-WBVHZDCISA-N 1 3 348.491 1.949 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000644561848 451863548 /nfs/dbraw/zinc/86/35/48/451863548.db2.gz GUARPATXXCJKGK-QGZVFWFLSA-N 1 3 348.466 1.912 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000649132785 451866030 /nfs/dbraw/zinc/86/60/30/451866030.db2.gz NZXPZCFQLOSVHI-UHFFFAOYSA-N 1 3 331.460 1.685 20 0 EDADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000649281966 451954630 /nfs/dbraw/zinc/95/46/30/451954630.db2.gz YWEGRBZGDSEWDO-ZDUSSCGKSA-N 1 3 341.406 1.723 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292368 451967824 /nfs/dbraw/zinc/96/78/24/451967824.db2.gz BPBQJEHPOOJWKQ-LSDHHAIUSA-N 1 3 325.478 1.483 20 0 EDADHO CC[C@@H](CNC(=O)COC1(C)C[NH2+]C1)N1CCc2ccccc2C1 ZINC000649292976 451969194 /nfs/dbraw/zinc/96/91/94/451969194.db2.gz RLZPROYAAFNRSX-KRWDZBQOSA-N 1 3 331.460 1.318 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649294856 451971608 /nfs/dbraw/zinc/97/16/08/451971608.db2.gz KBILSYWCRMDXJK-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649294856 451971611 /nfs/dbraw/zinc/97/16/11/451971611.db2.gz KBILSYWCRMDXJK-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO CN1CC[C@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000649307963 451985172 /nfs/dbraw/zinc/98/51/72/451985172.db2.gz ZWCSBRQQZBGWOP-LJQANCHMSA-N 1 3 330.476 1.048 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649307355 451985217 /nfs/dbraw/zinc/98/52/17/451985217.db2.gz KNDWYQITGLVSEJ-KBPBESRZSA-N 1 3 334.468 1.053 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@](C)(O)CCN(C)C)CC1 ZINC000642948530 451997633 /nfs/dbraw/zinc/99/76/33/451997633.db2.gz MAKKGGAUKIDRQR-LJQANCHMSA-N 1 3 348.491 1.425 20 0 EDADHO COC[C@@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCCN1 ZINC000649338872 452019743 /nfs/dbraw/zinc/01/97/43/452019743.db2.gz HNPHJFCICHORDT-LJQANCHMSA-N 1 3 344.459 1.910 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649350099 452034154 /nfs/dbraw/zinc/03/41/54/452034154.db2.gz FCCUYRIXBKPRHT-MOPGFXCFSA-N 1 3 344.503 1.425 20 0 EDADHO CN1CCN(CCCNC(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000649351078 452035666 /nfs/dbraw/zinc/03/56/66/452035666.db2.gz JCPDYHNUIJVXMK-SFHVURJKSA-N 1 3 346.519 1.999 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649372563 452048135 /nfs/dbraw/zinc/04/81/35/452048135.db2.gz CLFPPHGCEJJHIX-MRXNPFEDSA-N 1 3 335.492 1.812 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)NCCOc3ccc(F)cc3)C2)CC1 ZINC000639758981 452098159 /nfs/dbraw/zinc/09/81/59/452098159.db2.gz ZCPSPVHLDQOFRG-UHFFFAOYSA-N 1 3 349.450 1.738 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841731 452111572 /nfs/dbraw/zinc/11/15/72/452111572.db2.gz MDAUZTNYADSCIB-LJQANCHMSA-N 1 3 338.455 1.730 20 0 EDADHO CCc1nn(C)cc1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643295917 452121955 /nfs/dbraw/zinc/12/19/55/452121955.db2.gz UJJGTXSBMFGXII-UHFFFAOYSA-N 1 3 333.524 1.975 20 0 EDADHO C[C@@H]1SCC[C@@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645205128 452209357 /nfs/dbraw/zinc/20/93/57/452209357.db2.gz MLAZPUSXDJJDQI-BBRMVZONSA-N 1 3 340.537 1.738 20 0 EDADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426704 452268218 /nfs/dbraw/zinc/26/82/18/452268218.db2.gz AZHJJBDXMYQWNR-XOYHFGRZSA-N 1 3 334.489 1.936 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000659431061 452277695 /nfs/dbraw/zinc/27/76/95/452277695.db2.gz HNJNHPAAHICLSG-UHFFFAOYSA-N 1 3 342.487 1.826 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000659436825 452284813 /nfs/dbraw/zinc/28/48/13/452284813.db2.gz ZOHQSRCKBPBVJO-KRWDZBQOSA-N 1 3 347.507 1.101 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659455837 452308466 /nfs/dbraw/zinc/30/84/66/452308466.db2.gz FFJROPWIAXYAJG-KBAYOESNSA-N 1 3 328.460 1.668 20 0 EDADHO COc1ccc([C@@H](CNC(=O)CCC2C[NH2+]C2)N2CCCC2)cc1 ZINC000638048257 452314097 /nfs/dbraw/zinc/31/40/97/452314097.db2.gz CJKKDSYDUHAIOD-GOSISDBHSA-N 1 3 331.460 1.948 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000665764059 452350217 /nfs/dbraw/zinc/35/02/17/452350217.db2.gz SURFMNNJEXQADY-JKSUJKDBSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000665764059 452350221 /nfs/dbraw/zinc/35/02/21/452350221.db2.gz SURFMNNJEXQADY-JKSUJKDBSA-N 1 3 340.512 1.347 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCCCN1 ZINC000638066196 452369501 /nfs/dbraw/zinc/36/95/01/452369501.db2.gz FOWUONGOZYCMGQ-AEFFLSMTSA-N 1 3 325.497 1.773 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CCCCN1 ZINC000638066196 452369515 /nfs/dbraw/zinc/36/95/15/452369515.db2.gz FOWUONGOZYCMGQ-AEFFLSMTSA-N 1 3 325.497 1.773 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509361 452372908 /nfs/dbraw/zinc/37/29/08/452372908.db2.gz ZBJQMSNVIBHZSX-ZWKOTPCHSA-N 1 3 346.475 1.195 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000659513533 452377186 /nfs/dbraw/zinc/37/71/86/452377186.db2.gz ISOIZPRJOGZOPF-MRXNPFEDSA-N 1 3 345.491 1.592 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663640074 452383182 /nfs/dbraw/zinc/38/31/82/452383182.db2.gz BJOOKQVOQOOWKU-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO [NH3+]C1(CNC(=O)NCC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000659567690 452424271 /nfs/dbraw/zinc/42/42/71/452424271.db2.gz YAGFAJSBXVFGAF-UHFFFAOYSA-N 1 3 345.491 1.864 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659620316 452478788 /nfs/dbraw/zinc/47/87/88/452478788.db2.gz KMNCXKCNYUPVRA-CQSZACIVSA-N 1 3 335.452 1.295 20 0 EDADHO COCCCN1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655707748 452526834 /nfs/dbraw/zinc/52/68/34/452526834.db2.gz CAORRWJLTNOYNW-SFHVURJKSA-N 1 3 325.497 1.330 20 0 EDADHO COCCCN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655709251 452526924 /nfs/dbraw/zinc/52/69/24/452526924.db2.gz ZYYCSBZUMNPFJS-IBGZPJMESA-N 1 3 339.524 1.720 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352684 452530220 /nfs/dbraw/zinc/53/02/20/452530220.db2.gz MYWHQAGYDJYHIG-NSHGMRRFSA-N 1 3 344.503 1.466 20 0 EDADHO C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC(CC[NH3+])CC1 ZINC000652359640 452539712 /nfs/dbraw/zinc/53/97/12/452539712.db2.gz NODDUPCEMRJOPE-QGZVFWFLSA-N 1 3 344.503 1.785 20 0 EDADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655734035 452546906 /nfs/dbraw/zinc/54/69/06/452546906.db2.gz XVNDQRJEJNCDRQ-GBESFXJTSA-N 1 3 337.508 1.207 20 0 EDADHO COc1ccc2c(c1)OC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000647909420 452649959 /nfs/dbraw/zinc/64/99/59/452649959.db2.gz MCQRQZUPXNEMJV-MRXNPFEDSA-N 1 3 334.460 1.824 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnn(CC(F)F)c1 ZINC000666166223 452656154 /nfs/dbraw/zinc/65/61/54/452656154.db2.gz KTUMCYLKGICIEC-LBPRGKRZSA-N 1 3 346.426 1.542 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnn(CC(F)F)c1 ZINC000666166223 452656156 /nfs/dbraw/zinc/65/61/56/452656156.db2.gz KTUMCYLKGICIEC-LBPRGKRZSA-N 1 3 346.426 1.542 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655912592 452670934 /nfs/dbraw/zinc/67/09/34/452670934.db2.gz WLHXCUHBZXLMGI-ZDUSSCGKSA-N 1 3 348.369 1.316 20 0 EDADHO CN(C[C@H]1CNc2ccnn2C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648035219 452772014 /nfs/dbraw/zinc/77/20/14/452772014.db2.gz WYXWCFKBBIWBCT-WBVHZDCISA-N 1 3 332.496 1.025 20 0 EDADHO CN(C[C@H]1CNc2ccnn2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648035219 452772018 /nfs/dbraw/zinc/77/20/18/452772018.db2.gz WYXWCFKBBIWBCT-WBVHZDCISA-N 1 3 332.496 1.025 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659835 452775723 /nfs/dbraw/zinc/77/57/23/452775723.db2.gz LRJTWCBINCUPCX-WOVMCDHWSA-N 1 3 333.480 1.495 20 0 EDADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000652644710 452802237 /nfs/dbraw/zinc/80/22/37/452802237.db2.gz HFYMITJFXVZTBN-UHFFFAOYSA-N 1 3 344.459 1.215 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654732968 452855360 /nfs/dbraw/zinc/85/53/60/452855360.db2.gz KSDGLRGNRKWHAJ-IBGZPJMESA-N 1 3 347.503 1.974 20 0 EDADHO C[C@@H]1[C@H](C)N(CCc2cncn2C)CC[N@H+]1CCc1cncn1C ZINC000662225079 452959080 /nfs/dbraw/zinc/95/90/80/452959080.db2.gz SFFJZAONKZKRPJ-IYBDPMFKSA-N 1 3 330.480 1.333 20 0 EDADHO C[C@@H]1[C@H](C)N(CCc2cncn2C)CC[N@@H+]1CCc1cncn1C ZINC000662225079 452959086 /nfs/dbraw/zinc/95/90/86/452959086.db2.gz SFFJZAONKZKRPJ-IYBDPMFKSA-N 1 3 330.480 1.333 20 0 EDADHO C[C@@H]1[C@H](C)[N@H+](CCc2cncn2C)CCN1CCc1cncn1C ZINC000662225079 452959092 /nfs/dbraw/zinc/95/90/92/452959092.db2.gz SFFJZAONKZKRPJ-IYBDPMFKSA-N 1 3 330.480 1.333 20 0 EDADHO C[C@@H]1[C@H](C)[N@@H+](CCc2cncn2C)CCN1CCc1cncn1C ZINC000662225079 452959099 /nfs/dbraw/zinc/95/90/99/452959099.db2.gz SFFJZAONKZKRPJ-IYBDPMFKSA-N 1 3 330.480 1.333 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccsc1 ZINC000662254221 452982543 /nfs/dbraw/zinc/98/25/43/452982543.db2.gz OPVNCLHZYVZAIQ-HNNXBMFYSA-N 1 3 335.473 1.463 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291086 453014291 /nfs/dbraw/zinc/01/42/91/453014291.db2.gz OSCZRPFMQCHIMK-DOTOQJQBSA-N 1 3 325.497 1.629 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686187 453064663 /nfs/dbraw/zinc/06/46/63/453064663.db2.gz GCJGMQDOOWOLDT-LSDHHAIUSA-N 1 3 345.443 1.561 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000646061106 453074562 /nfs/dbraw/zinc/07/45/62/453074562.db2.gz CGVZPONFVVAPDT-UHFFFAOYSA-N 1 3 347.507 1.122 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCC(C)CC1 ZINC000666714998 453090844 /nfs/dbraw/zinc/09/08/44/453090844.db2.gz DECGGYWBPBGDKV-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662394582 453104022 /nfs/dbraw/zinc/10/40/22/453104022.db2.gz JAVGQSMEFDSSMH-CYBMUJFWSA-N 1 3 331.441 1.832 20 0 EDADHO COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc2c(s1)CCNC2 ZINC000662394582 453104027 /nfs/dbraw/zinc/10/40/27/453104027.db2.gz JAVGQSMEFDSSMH-CYBMUJFWSA-N 1 3 331.441 1.832 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662418073 453127067 /nfs/dbraw/zinc/12/70/67/453127067.db2.gz MEMJIWVXWGHJLV-INIZCTEOSA-N 1 3 340.431 1.491 20 0 EDADHO Cn1cc(CNCCN2CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000666814932 453164681 /nfs/dbraw/zinc/16/46/81/453164681.db2.gz OJMUEHCAEVMLSQ-UHFFFAOYSA-N 1 3 339.443 1.828 20 0 EDADHO O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCCN(C2CCCC2)CC1 ZINC000662467937 453179155 /nfs/dbraw/zinc/17/91/55/453179155.db2.gz HUFRPQZEKVWHAJ-AWEZNQCLSA-N 1 3 331.464 1.577 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485727 453202822 /nfs/dbraw/zinc/20/28/22/453202822.db2.gz IWPJIIIFNFREPP-MRXNPFEDSA-N 1 3 331.460 1.863 20 0 EDADHO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664587307 453221908 /nfs/dbraw/zinc/22/19/08/453221908.db2.gz KBBSAPUVZDKKRS-ZJIFWQFVSA-N 1 3 342.528 1.617 20 0 EDADHO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664587307 453221911 /nfs/dbraw/zinc/22/19/11/453221911.db2.gz KBBSAPUVZDKKRS-ZJIFWQFVSA-N 1 3 342.528 1.617 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000653119618 453309153 /nfs/dbraw/zinc/30/91/53/453309153.db2.gz PTOVBBAXCKNIHG-NZSAHSFTSA-N 1 3 346.519 1.777 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000662592798 453319098 /nfs/dbraw/zinc/31/90/98/453319098.db2.gz KIKGOIYSLCOAHU-LBTNJELSSA-N 1 3 325.497 1.756 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1(C)C ZINC000662592798 453319106 /nfs/dbraw/zinc/31/91/06/453319106.db2.gz KIKGOIYSLCOAHU-LBTNJELSSA-N 1 3 325.497 1.756 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593678 453321569 /nfs/dbraw/zinc/32/15/69/453321569.db2.gz QAPVQYDXQIKJBX-BKEDOTJMSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593678 453321579 /nfs/dbraw/zinc/32/15/79/453321579.db2.gz QAPVQYDXQIKJBX-BKEDOTJMSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593684 453321721 /nfs/dbraw/zinc/32/17/21/453321721.db2.gz QAPVQYDXQIKJBX-MMMWYMCRSA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593684 453321725 /nfs/dbraw/zinc/32/17/25/453321725.db2.gz QAPVQYDXQIKJBX-MMMWYMCRSA-N 1 3 337.508 1.756 20 0 EDADHO [NH3+]CC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000662637491 453351108 /nfs/dbraw/zinc/35/11/08/453351108.db2.gz ITXAOFHAWUWEGY-UHFFFAOYSA-N 1 3 330.476 1.929 20 0 EDADHO NC1(C(=O)N2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)Cc2ccccc2C1 ZINC000653190473 453380203 /nfs/dbraw/zinc/38/02/03/453380203.db2.gz KMLCNBDLOGMPLC-KURKYZTESA-N 1 3 343.471 1.228 20 0 EDADHO CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000664758949 453383658 /nfs/dbraw/zinc/38/36/58/453383658.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@@H]1CCN(CC)C1 ZINC000664758949 453383668 /nfs/dbraw/zinc/38/36/68/453383668.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@H]1C ZINC000662679160 453398638 /nfs/dbraw/zinc/39/86/38/453398638.db2.gz KYUOSQYRQTWGBC-BZUAXINKSA-N 1 3 348.495 1.585 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccn2)nc1 ZINC000651263783 453406910 /nfs/dbraw/zinc/40/69/10/453406910.db2.gz JEHJEWJCJXNLRK-UHFFFAOYSA-N 1 3 341.459 1.709 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]1CN1CCCC1 ZINC000662697390 453417547 /nfs/dbraw/zinc/41/75/47/453417547.db2.gz GDULQCITXBLWFA-OAHLLOKOSA-N 1 3 332.448 1.842 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662699451 453420312 /nfs/dbraw/zinc/42/03/12/453420312.db2.gz AHJYMULBMJIPMW-IAGOWNOFSA-N 1 3 348.535 1.665 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CCN(CC2CC2)C1 ZINC000660702515 453526751 /nfs/dbraw/zinc/52/67/51/453526751.db2.gz JVPZEOYLWQAYDT-SFHVURJKSA-N 1 3 334.508 1.892 20 0 EDADHO Cc1c(C[NH3+])c(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)nn1C ZINC000662836638 453561733 /nfs/dbraw/zinc/56/17/33/453561733.db2.gz CARUQZVYJSVERH-OAHLLOKOSA-N 1 3 342.447 1.433 20 0 EDADHO CNCc1cccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659019074 453583529 /nfs/dbraw/zinc/58/35/29/453583529.db2.gz MSVOOKNSMGAJEZ-QGZVFWFLSA-N 1 3 334.464 1.981 20 0 EDADHO CC[N@H+](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC1 ZINC000659034973 453591563 /nfs/dbraw/zinc/59/15/63/453591563.db2.gz SDPPKKISOXRSGI-QGZVFWFLSA-N 1 3 332.448 1.953 20 0 EDADHO CC[N@@H+](CCNC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CC1 ZINC000659034973 453591565 /nfs/dbraw/zinc/59/15/65/453591565.db2.gz SDPPKKISOXRSGI-QGZVFWFLSA-N 1 3 332.448 1.953 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829807 453593368 /nfs/dbraw/zinc/59/33/68/453593368.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)CN1CCN(C)CC1 ZINC000660829807 453593373 /nfs/dbraw/zinc/59/33/73/453593373.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 1 3 339.528 1.042 20 0 EDADHO c1cc(CN2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)ccn1 ZINC000665240139 453620089 /nfs/dbraw/zinc/62/00/89/453620089.db2.gz DJLBTQPAGUKUHF-VQTJNVASSA-N 1 3 344.503 1.650 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290939 453638089 /nfs/dbraw/zinc/63/80/89/453638089.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 1 3 341.459 1.641 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290939 453638092 /nfs/dbraw/zinc/63/80/92/453638092.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 1 3 341.459 1.641 20 0 EDADHO Cn1ncc(Br)c1CNCCCC[NH+]1CCN(C)CC1 ZINC000683765593 486665563 /nfs/dbraw/zinc/66/55/63/486665563.db2.gz ZFGPEKUXVVYLOE-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671746310 486740745 /nfs/dbraw/zinc/74/07/45/486740745.db2.gz KRBWHJXGBHXFPZ-GXTWGEPZSA-N 1 3 346.431 1.771 20 0 EDADHO C[C@@H](CN1CCOCC1)N(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684026617 486916373 /nfs/dbraw/zinc/91/63/73/486916373.db2.gz ZEOYONIPGFHRDU-KRWDZBQOSA-N 1 3 335.492 1.780 20 0 EDADHO COCCc1ccc(OC[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000667875656 487000746 /nfs/dbraw/zinc/00/07/46/487000746.db2.gz QOHGUISKNMHAKY-MRXNPFEDSA-N 1 3 336.476 1.689 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000674030133 487186987 /nfs/dbraw/zinc/18/69/87/487186987.db2.gz YWMWXZLEEYWIGN-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000684846635 487176616 /nfs/dbraw/zinc/17/66/16/487176616.db2.gz CMJVAXZQMLTQDU-UHFFFAOYSA-N 1 3 331.460 1.985 20 0 EDADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000678602545 487340722 /nfs/dbraw/zinc/34/07/22/487340722.db2.gz YPYOUBGHXMUJRM-FRQCXROJSA-N 1 3 335.492 1.997 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669540650 485524482 /nfs/dbraw/zinc/52/44/82/485524482.db2.gz YMNQURASSRYVDE-CQSZACIVSA-N 1 3 331.464 1.658 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669584183 485633158 /nfs/dbraw/zinc/63/31/58/485633158.db2.gz YWAXCAZZPVHRRO-DSJMHWKBSA-N 1 3 338.452 1.466 20 0 EDADHO c1cc2n(n1)C[C@H](C[NH2+]CC1CCN(Cc3ccncc3)CC1)CN2 ZINC000668512006 485828474 /nfs/dbraw/zinc/82/84/74/485828474.db2.gz IRWXYXVNGDQXQB-GOSISDBHSA-N 1 3 340.475 1.822 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669312780 485960109 /nfs/dbraw/zinc/96/01/09/485960109.db2.gz SNKKYTLMLKALSI-SFHVURJKSA-N 1 3 330.476 1.876 20 0 EDADHO [NH3+]C/C=C/CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000669397625 486056528 /nfs/dbraw/zinc/05/65/28/486056528.db2.gz MTCUADMWSCZALM-SNAWJCMRSA-N 1 3 345.491 1.403 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000669420512 486141503 /nfs/dbraw/zinc/14/15/03/486141503.db2.gz NTQFRQDZTDNALE-AEFFLSMTSA-N 1 3 330.476 1.935 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787447 486220078 /nfs/dbraw/zinc/22/00/78/486220078.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 1 3 327.432 1.233 20 0 EDADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787447 486220079 /nfs/dbraw/zinc/22/00/79/486220079.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 1 3 327.432 1.233 20 0 EDADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4cncn4c3)C2)CC1 ZINC000670787447 486220082 /nfs/dbraw/zinc/22/00/82/486220082.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 1 3 327.432 1.233 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](O)Cn2ccnn2)CC1 ZINC000459716903 486459350 /nfs/dbraw/zinc/45/93/50/486459350.db2.gz QFZZERQIPNMSSJ-APWZRJJASA-N 1 3 343.475 1.324 20 0 EDADHO C[C@H](NC1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132815176 533803630 /nfs/dbraw/zinc/80/36/30/533803630.db2.gz JHBHZBUWUZPPHH-ZDUSSCGKSA-N 1 3 325.478 1.730 20 0 EDADHO CCN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994802 527880043 /nfs/dbraw/zinc/88/00/43/527880043.db2.gz QUGLLAQZRWDXFT-WBVHZDCISA-N 1 3 339.505 1.593 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(O)c1 ZINC000174195819 529071566 /nfs/dbraw/zinc/07/15/66/529071566.db2.gz WPHRFWDHKCRECL-QGZVFWFLSA-N 1 3 348.491 1.950 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(O)c1 ZINC000174195819 529071568 /nfs/dbraw/zinc/07/15/68/529071568.db2.gz WPHRFWDHKCRECL-QGZVFWFLSA-N 1 3 348.491 1.950 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339592227 535063127 /nfs/dbraw/zinc/06/31/27/535063127.db2.gz ZCKBFGMMCOGHGH-UHFFFAOYSA-N 1 3 340.512 1.166 20 0 EDADHO C[NH+](C)CCNC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000133635756 535883177 /nfs/dbraw/zinc/88/31/77/535883177.db2.gz LFHIBLNBWBROBU-UHFFFAOYSA-N 1 3 336.455 1.899 20 0 EDADHO CC[C@]1(C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[NH2+]C1 ZINC000119647074 535883456 /nfs/dbraw/zinc/88/34/56/535883456.db2.gz BIGSPFOELKECIO-SFHVURJKSA-N 1 3 346.431 1.484 20 0 EDADHO CN(C)CCOC1CC[NH+](C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343565976 535893775 /nfs/dbraw/zinc/89/37/75/535893775.db2.gz KGZTVORFUXFYBA-MAUKXSAKSA-N 1 3 336.480 1.540 20 0 EDADHO C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000262228632 536048209 /nfs/dbraw/zinc/04/82/09/536048209.db2.gz NQFOMMIVRUJANL-MBOZVWFJSA-N 1 3 345.487 1.897 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262769732 536049273 /nfs/dbraw/zinc/04/92/73/536049273.db2.gz MFVFAGSAOKKYEI-QGZVFWFLSA-N 1 3 341.459 1.799 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC[C@H]21 ZINC000261607857 536379053 /nfs/dbraw/zinc/37/90/53/536379053.db2.gz CZZGCONZUCXYPE-GMKVZWAMSA-N 1 3 335.492 1.462 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@@H]4C3(C)C)CC[C@H]21 ZINC000261607857 536379057 /nfs/dbraw/zinc/37/90/57/536379057.db2.gz CZZGCONZUCXYPE-GMKVZWAMSA-N 1 3 335.492 1.462 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(F)F ZINC000345703562 536434421 /nfs/dbraw/zinc/43/44/21/536434421.db2.gz DFWAMOMSAOXDIL-LSDHHAIUSA-N 1 3 325.403 1.949 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(F)F ZINC000345703562 536434424 /nfs/dbraw/zinc/43/44/24/536434424.db2.gz DFWAMOMSAOXDIL-LSDHHAIUSA-N 1 3 325.403 1.949 20 0 EDADHO COCCN(C)CCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096779 536788070 /nfs/dbraw/zinc/78/80/70/536788070.db2.gz LHGLVNZBIGBENQ-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H](COc1ccccc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741079654 579396439 /nfs/dbraw/zinc/39/64/39/579396439.db2.gz MUWCCJGBWAPHQN-INIZCTEOSA-N 1 3 336.480 1.589 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609186 579456621 /nfs/dbraw/zinc/45/66/21/579456621.db2.gz OOSZBBCFSLVEJN-SFHVURJKSA-N 1 3 349.523 1.881 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609186 579456623 /nfs/dbraw/zinc/45/66/23/579456623.db2.gz OOSZBBCFSLVEJN-SFHVURJKSA-N 1 3 349.523 1.881 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000729539047 578580934 /nfs/dbraw/zinc/58/09/34/578580934.db2.gz CGAGPZJKPWUIHE-UHFFFAOYSA-N 1 3 347.503 1.991 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618163 578584824 /nfs/dbraw/zinc/58/48/24/578584824.db2.gz HKISIHGUYPRNNN-YESZJQIVSA-N 1 3 336.480 1.119 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C(C)C ZINC000734276086 578804474 /nfs/dbraw/zinc/80/44/74/578804474.db2.gz GTYPCPAZDVGEQS-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C(C)C ZINC000734276086 578804475 /nfs/dbraw/zinc/80/44/75/578804475.db2.gz GTYPCPAZDVGEQS-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CN1CCCC[C@@H]1CC[N@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000744410571 579510003 /nfs/dbraw/zinc/51/00/03/579510003.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 1 3 339.505 1.683 20 0 EDADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCc1ccc(S(N)(=O)=O)cc1 ZINC000744410571 579510004 /nfs/dbraw/zinc/51/00/04/579510004.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 1 3 339.505 1.683 20 0 EDADHO O=C1OCCN1CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948431 579568147 /nfs/dbraw/zinc/56/81/47/579568147.db2.gz HUWVFSVAYYVTCY-UHFFFAOYSA-N 1 3 325.453 1.406 20 0 EDADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000792933074 580831158 /nfs/dbraw/zinc/83/11/58/580831158.db2.gz GFPWWMFZHVPUKM-RYQLBKOJSA-N 1 3 334.460 1.453 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCN(C)CC1 ZINC000891909045 590683520 /nfs/dbraw/zinc/68/35/20/590683520.db2.gz ZFKZZAXXZVQOAW-UONOGXRCSA-N 1 3 326.510 1.350 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](O)C3CC3)CC2)CC1 ZINC000890718242 590725947 /nfs/dbraw/zinc/72/59/47/590725947.db2.gz QKCACCPBTQRGGH-SFHVURJKSA-N 1 3 337.508 1.460 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC000892002691 590738043 /nfs/dbraw/zinc/73/80/43/590738043.db2.gz RBJMRDVPFLVMKX-YQVWRLOYSA-N 1 3 328.460 1.512 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087046 590790516 /nfs/dbraw/zinc/79/05/16/590790516.db2.gz RYRRCENGHBUJRE-KRWDZBQOSA-N 1 3 344.459 1.248 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1Cc2ccccc2CN1 ZINC000891366557 591063140 /nfs/dbraw/zinc/06/31/40/591063140.db2.gz WHLXTMHXEPUKLX-WMLDXEAASA-N 1 3 328.460 1.484 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1Cc2ccccc2CN1 ZINC000891366557 591063147 /nfs/dbraw/zinc/06/31/47/591063147.db2.gz WHLXTMHXEPUKLX-WMLDXEAASA-N 1 3 328.460 1.484 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538396 591113143 /nfs/dbraw/zinc/11/31/43/591113143.db2.gz XJNJYEMKYCGSTG-LSDHHAIUSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C2 ZINC000891555713 591122902 /nfs/dbraw/zinc/12/29/02/591122902.db2.gz CJDLIDLBYSVFBL-CMKODMSKSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596964 591141891 /nfs/dbraw/zinc/14/18/91/591141891.db2.gz IJAFJEYXAJNLIW-FXAWDEMLSA-N 1 3 342.487 1.669 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000895665770 591246851 /nfs/dbraw/zinc/24/68/51/591246851.db2.gz GBGWQMXEVKPWPE-USXIJHARSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000895665770 591246852 /nfs/dbraw/zinc/24/68/52/591246852.db2.gz GBGWQMXEVKPWPE-USXIJHARSA-N 1 3 340.512 1.515 20 0 EDADHO CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCN(C)C1 ZINC000893014830 591254402 /nfs/dbraw/zinc/25/44/02/591254402.db2.gz ZYNALVCCOMVCRS-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000895842196 591283254 /nfs/dbraw/zinc/28/32/54/591283254.db2.gz CMMJTJGJGCTEEU-UHFFFAOYSA-N 1 3 335.492 1.574 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000895846342 591286596 /nfs/dbraw/zinc/28/65/96/591286596.db2.gz VZHGBLFOFYDOBT-ZFWWWQNUSA-N 1 3 330.314 1.872 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000895850343 591287268 /nfs/dbraw/zinc/28/72/68/591287268.db2.gz HNEPVRJSDOIOGD-MRXNPFEDSA-N 1 3 340.512 1.469 20 0 EDADHO C[NH+]1CCC(CN2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817522 591427738 /nfs/dbraw/zinc/42/77/38/591427738.db2.gz SCUFVUGUZKWGEC-MRXNPFEDSA-N 1 3 341.496 1.944 20 0 EDADHO CCO[C@@H](CNC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)CN(C)C ZINC000896683773 591573478 /nfs/dbraw/zinc/57/34/78/591573478.db2.gz WLDAFYBXLAAZNU-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCCO)[C@@H]1c1ccccc1 ZINC000897877990 591703100 /nfs/dbraw/zinc/70/31/00/591703100.db2.gz WQHPSICJADJHLW-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCCO)[C@@H]1c1ccccc1 ZINC000897877990 591703103 /nfs/dbraw/zinc/70/31/03/591703103.db2.gz WQHPSICJADJHLW-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900218815 591947154 /nfs/dbraw/zinc/94/71/54/591947154.db2.gz NPFYMKRFPXAKRU-HOTGVXAUSA-N 1 3 335.496 1.543 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@@H](O)C2(O)CCOCC2)cc1 ZINC000899868257 591966141 /nfs/dbraw/zinc/96/61/41/591966141.db2.gz XBDIYDPNVXVYFO-GOSISDBHSA-N 1 3 336.476 1.520 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000902351559 591984822 /nfs/dbraw/zinc/98/48/22/591984822.db2.gz ZPWFBUDSDDTQAC-ZIAGYGMSSA-N 1 3 336.432 1.523 20 0 EDADHO CN(c1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1)S(C)(=O)=O ZINC000902514209 592008419 /nfs/dbraw/zinc/00/84/19/592008419.db2.gz MOWJJOFXKYLVOC-GDBMZVCRSA-N 1 3 325.478 1.690 20 0 EDADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)ccn1 ZINC000903199223 592134448 /nfs/dbraw/zinc/13/44/48/592134448.db2.gz JGBPUZCYYBXLEB-MOPGFXCFSA-N 1 3 331.460 1.831 20 0 EDADHO C[NH+](C)CC[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000903377657 592163875 /nfs/dbraw/zinc/16/38/75/592163875.db2.gz MYCKEEKNVFXSJG-MOPGFXCFSA-N 1 3 332.492 1.917 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903476175 592176219 /nfs/dbraw/zinc/17/62/19/592176219.db2.gz PDEVJCUHAHDVAC-WNWFYDSVSA-N 1 3 327.375 1.145 20 0 EDADHO CC(C)(C[NH3+])C1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000903522655 592196600 /nfs/dbraw/zinc/19/66/00/592196600.db2.gz JCDSPPPQTBZLLT-UHFFFAOYSA-N 1 3 331.526 1.499 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCCC[C@@H]1C ZINC000906646244 592231947 /nfs/dbraw/zinc/23/19/47/592231947.db2.gz PJIQKJXSGUQGKB-UONOGXRCSA-N 1 3 332.448 1.463 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccccc1CN)C(C)(C)C ZINC000906651672 592235534 /nfs/dbraw/zinc/23/55/34/592235534.db2.gz UKXDIBNIFXNCBF-HNNXBMFYSA-N 1 3 334.464 1.566 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000904377077 592245127 /nfs/dbraw/zinc/24/51/27/592245127.db2.gz JBXAQQNKMKKNGQ-SFHVURJKSA-N 1 3 342.443 1.962 20 0 EDADHO C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1=CCN(C)CC1 ZINC000906663881 592245817 /nfs/dbraw/zinc/24/58/17/592245817.db2.gz IPCDJWRZEQNRCK-ZDUSSCGKSA-N 1 3 344.459 1.586 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252773 /nfs/dbraw/zinc/25/27/73/592252773.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252778 /nfs/dbraw/zinc/25/27/78/592252778.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 1 3 336.524 1.345 20 0 EDADHO CCOc1cc(C[NH2+]CC2(N)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000904450349 592263928 /nfs/dbraw/zinc/26/39/28/592263928.db2.gz PMHGGGGTBQGDES-CYBMUJFWSA-N 1 3 335.448 1.522 20 0 EDADHO C(OC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)[C@H]1CCCO1 ZINC000903725828 592285272 /nfs/dbraw/zinc/28/52/72/592285272.db2.gz IBOXACKIMVWQKN-QZTJIDSGSA-N 1 3 338.492 1.805 20 0 EDADHO CN(Cc1ccccc1N1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732521 592288132 /nfs/dbraw/zinc/28/81/32/592288132.db2.gz FQJXXDWYHVSGPH-ICSRJNTNSA-N 1 3 345.487 1.724 20 0 EDADHO CCc1ccc([C@@H]2CNCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747065 592293188 /nfs/dbraw/zinc/29/31/88/592293188.db2.gz OVHUFQILMKIRQJ-HSALFYBXSA-N 1 3 329.488 1.964 20 0 EDADHO CCOC(=O)N(C)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752967 592296604 /nfs/dbraw/zinc/29/66/04/592296604.db2.gz RDFUFVILJWKPNY-DOTOQJQBSA-N 1 3 325.453 1.308 20 0 EDADHO C[C@@H]1C[C@H](c2nc(-c3ccnc(OCCN(C)C)c3)no2)CC[NH2+]1 ZINC000904625471 592298254 /nfs/dbraw/zinc/29/82/54/592298254.db2.gz CUPAUUNDHDAHAN-TZMCWYRMSA-N 1 3 331.420 1.928 20 0 EDADHO Cc1nc(CN(C)[C@@H]2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741691 592302795 /nfs/dbraw/zinc/30/27/95/592302795.db2.gz RLYIZXSELULUJT-HZPDHXFCSA-N 1 3 349.479 1.043 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)cc1 ZINC000906722018 592312306 /nfs/dbraw/zinc/31/23/06/592312306.db2.gz PLKFPPXLKWNCPY-CYBMUJFWSA-N 1 3 332.448 1.493 20 0 EDADHO COc1cccc([C@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903782197 592321594 /nfs/dbraw/zinc/32/15/94/592321594.db2.gz GTXXIWHIPFOWHI-RBUKOAKNSA-N 1 3 345.487 1.800 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908300 592373334 /nfs/dbraw/zinc/37/33/34/592373334.db2.gz GHJACAGJZXPSKP-ZWKOTPCHSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908300 592373339 /nfs/dbraw/zinc/37/33/39/592373339.db2.gz GHJACAGJZXPSKP-ZWKOTPCHSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908300 592373344 /nfs/dbraw/zinc/37/33/44/592373344.db2.gz GHJACAGJZXPSKP-ZWKOTPCHSA-N 1 3 327.476 1.806 20 0 EDADHO COc1ccc(OCCNC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903920709 592377010 /nfs/dbraw/zinc/37/70/10/592377010.db2.gz LBTFHOKEJHMVNX-HNNXBMFYSA-N 1 3 332.448 1.523 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905052201 592381638 /nfs/dbraw/zinc/38/16/38/592381638.db2.gz NLYRIQBNVLWBKE-OALUTQOASA-N 1 3 336.476 1.520 20 0 EDADHO C[C@@H]1C[N@H+](Cc2cccc3c2CCNC3)C[C@H]1C(=O)N1CCOCC1 ZINC000903931632 592383963 /nfs/dbraw/zinc/38/39/63/592383963.db2.gz GOVNMIIDXQQDJJ-DNVCBOLYSA-N 1 3 343.471 1.259 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2cccc3c2CCNC3)C[C@H]1C(=O)N1CCOCC1 ZINC000903931632 592383971 /nfs/dbraw/zinc/38/39/71/592383971.db2.gz GOVNMIIDXQQDJJ-DNVCBOLYSA-N 1 3 343.471 1.259 20 0 EDADHO CN(C)C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908207325 592384900 /nfs/dbraw/zinc/38/49/00/592384900.db2.gz XQJNCGSLESUMAZ-QGZVFWFLSA-N 1 3 336.455 1.038 20 0 EDADHO CN(C)C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000908207325 592384906 /nfs/dbraw/zinc/38/49/06/592384906.db2.gz XQJNCGSLESUMAZ-QGZVFWFLSA-N 1 3 336.455 1.038 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000905027252 592385665 /nfs/dbraw/zinc/38/56/65/592385665.db2.gz QCEIULMFSPVUQV-GOSISDBHSA-N 1 3 334.460 1.274 20 0 EDADHO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)cc1 ZINC000903956125 592395937 /nfs/dbraw/zinc/39/59/37/592395937.db2.gz HGZQSBVRZIGJHM-ZDUSSCGKSA-N 1 3 328.359 1.573 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1c[nH]nc1-c1cccnc1)C2 ZINC000903978489 592399554 /nfs/dbraw/zinc/39/95/54/592399554.db2.gz HFLVJXYQOGVEEG-DAYGRLMNSA-N 1 3 341.415 1.184 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1ccc(N3CCCC3)nc1)C2 ZINC000903978941 592400610 /nfs/dbraw/zinc/40/06/10/592400610.db2.gz PBDOYBYXRALHIH-FCEWJHQRSA-N 1 3 344.459 1.394 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905293930 592486784 /nfs/dbraw/zinc/48/67/84/592486784.db2.gz BWBHXGYVUDVFGO-QGZVFWFLSA-N 1 3 327.513 1.048 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503040 592546332 /nfs/dbraw/zinc/54/63/32/592546332.db2.gz MUEXGYNFVXPWHT-QQXKLLMISA-N 1 3 336.451 1.928 20 0 EDADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285857 592584667 /nfs/dbraw/zinc/58/46/67/592584667.db2.gz OUGICXJNDSAHFZ-HZPDHXFCSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@@H](NC(=O)c1ccnn1CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285857 592584668 /nfs/dbraw/zinc/58/46/68/592584668.db2.gz OUGICXJNDSAHFZ-HZPDHXFCSA-N 1 3 347.507 1.828 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905889293 592668849 /nfs/dbraw/zinc/66/88/49/592668849.db2.gz JOBCVAYOWDWBJF-MOPGFXCFSA-N 1 3 334.460 1.274 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905907698 592676697 /nfs/dbraw/zinc/67/66/97/592676697.db2.gz MTBCFOYREXHQSX-RTBURBONSA-N 1 3 335.492 1.088 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N1CCCCC1 ZINC000906644443 592865365 /nfs/dbraw/zinc/86/53/65/592865365.db2.gz ATUULVGNOGYDSB-AWEZNQCLSA-N 1 3 346.475 1.810 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCCC1 ZINC000734273747 592958862 /nfs/dbraw/zinc/95/88/62/592958862.db2.gz LBUILRFNJAXQTK-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911820126 593016356 /nfs/dbraw/zinc/01/63/56/593016356.db2.gz CHXCXIIAYPKCSO-DMDPSCGWSA-N 1 3 343.393 1.950 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000839602996 593348112 /nfs/dbraw/zinc/34/81/12/593348112.db2.gz WBEBARVZSKXTGE-UXHICEINSA-N 1 3 347.503 1.935 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)n1 ZINC000809644734 593352452 /nfs/dbraw/zinc/35/24/52/593352452.db2.gz VMPPYZCAGCNEFU-CABCVRRESA-N 1 3 342.399 1.688 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CC[NH2+]CC2 ZINC000818340228 593693796 /nfs/dbraw/zinc/69/37/96/593693796.db2.gz JZXDBMDFXQPHAN-LBPRGKRZSA-N 1 3 343.431 1.671 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cn1 ZINC000818984492 593732183 /nfs/dbraw/zinc/73/21/83/593732183.db2.gz ISPNHPOLZOSNLT-QGZVFWFLSA-N 1 3 333.407 1.984 20 0 EDADHO COC(=O)[C@H]1[C@H](CN2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869556 593910986 /nfs/dbraw/zinc/91/09/86/593910986.db2.gz WZHSHCSVEQQBCV-LSDHHAIUSA-N 1 3 346.418 1.618 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ncc1F ZINC000824817757 594079354 /nfs/dbraw/zinc/07/93/54/594079354.db2.gz AMCZWLHKTBENPY-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(Cl)ncc1F ZINC000824817757 594079355 /nfs/dbraw/zinc/07/93/55/594079355.db2.gz AMCZWLHKTBENPY-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000822897171 594118812 /nfs/dbraw/zinc/11/88/12/594118812.db2.gz BPWLATFKUIFAES-GOSISDBHSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000822897171 594118813 /nfs/dbraw/zinc/11/88/13/594118813.db2.gz BPWLATFKUIFAES-GOSISDBHSA-N 1 3 339.524 1.801 20 0 EDADHO CCO[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)CN(C)C ZINC000831757393 594700156 /nfs/dbraw/zinc/70/01/56/594700156.db2.gz PIVAAPJJVHTUGM-LJQANCHMSA-N 1 3 347.503 1.982 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018106 594839884 /nfs/dbraw/zinc/83/98/84/594839884.db2.gz PGAHEHVPPLBONC-MRXNPFEDSA-N 1 3 345.491 1.950 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000841323907 594885113 /nfs/dbraw/zinc/88/51/13/594885113.db2.gz DKDFEDQEIUSCGG-HOCLYGCPSA-N 1 3 334.420 1.009 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790498 594953543 /nfs/dbraw/zinc/95/35/43/594953543.db2.gz YIPDEHFSPLHLME-JKSUJKDBSA-N 1 3 336.480 1.025 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841846981 594964270 /nfs/dbraw/zinc/96/42/70/594964270.db2.gz PFIFZEDZRPTTNR-JQWIXIFHSA-N 1 3 341.358 1.516 20 0 EDADHO C[C@H](NC1CC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847374 594964750 /nfs/dbraw/zinc/96/47/50/594964750.db2.gz VTYINCNAPFMITG-LRDDRELGSA-N 1 3 331.416 1.674 20 0 EDADHO C[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CCN(Cc2ccccc2)C1 ZINC000841898523 594976854 /nfs/dbraw/zinc/97/68/54/594976854.db2.gz MUWSEVOORCRWRV-PKOBYXMFSA-N 1 3 330.476 1.935 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842007224 595000693 /nfs/dbraw/zinc/00/06/93/595000693.db2.gz WZKYHYSFUDEUHQ-BFHYXJOUSA-N 1 3 330.423 1.405 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000842009626 595001402 /nfs/dbraw/zinc/00/14/02/595001402.db2.gz DBIHJUMBTCXJSS-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842229919 595045867 /nfs/dbraw/zinc/04/58/67/595045867.db2.gz UGNNLXRVUQSGBX-SJORKVTESA-N 1 3 346.475 1.093 20 0 EDADHO CN(CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)C1CCC([NH3+])CC1 ZINC000843354055 595084256 /nfs/dbraw/zinc/08/42/56/595084256.db2.gz UZBUYDYPYMQEPH-UHFFFAOYSA-N 1 3 344.415 1.053 20 0 EDADHO CN(CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355384 595085497 /nfs/dbraw/zinc/08/54/97/595085497.db2.gz MORDCHULSNVJMA-ABHNRTSZSA-N 1 3 349.450 1.927 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000843508573 595136783 /nfs/dbraw/zinc/13/67/83/595136783.db2.gz XTLARJACZRAGCT-GBESFXJTSA-N 1 3 343.471 1.488 20 0 EDADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1NCCc3ccccc31)C2 ZINC000846178781 595166074 /nfs/dbraw/zinc/16/60/74/595166074.db2.gz YYMMLFGVEVNAHU-IEZWGBDMSA-N 1 3 328.460 1.644 20 0 EDADHO [NH3+]CCc1ccccc1C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000846673361 595298222 /nfs/dbraw/zinc/29/82/22/595298222.db2.gz RRGONFQDNQCKQZ-QGZVFWFLSA-N 1 3 331.460 1.561 20 0 EDADHO CN(CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000844217819 595305144 /nfs/dbraw/zinc/30/51/44/595305144.db2.gz NYMJZSPXLOARIH-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCNCC1 ZINC000844217819 595305146 /nfs/dbraw/zinc/30/51/46/595305146.db2.gz NYMJZSPXLOARIH-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CCNCC1 ZINC000844217819 595305148 /nfs/dbraw/zinc/30/51/48/595305148.db2.gz NYMJZSPXLOARIH-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000847409296 595413471 /nfs/dbraw/zinc/41/34/71/595413471.db2.gz SCIUECLBYCIGDB-ZWKOTPCHSA-N 1 3 331.460 1.384 20 0 EDADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073765 595478468 /nfs/dbraw/zinc/47/84/68/595478468.db2.gz BQVUUAOJHKFGCX-GJZGRUSLSA-N 1 3 346.431 1.647 20 0 EDADHO CN1CC[C@](O)(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849084895 595479323 /nfs/dbraw/zinc/47/93/23/595479323.db2.gz AGBSXESVJGMJNE-AWEZNQCLSA-N 1 3 330.354 1.386 20 0 EDADHO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849105029 595482545 /nfs/dbraw/zinc/48/25/45/595482545.db2.gz MTBOMFPBNDOZTF-KXBFYZLASA-N 1 3 346.475 1.305 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849517931 595557103 /nfs/dbraw/zinc/55/71/03/595557103.db2.gz FRZFNDSTSWBMLE-ROUUACIJSA-N 1 3 347.507 1.256 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849540370 595559843 /nfs/dbraw/zinc/55/98/43/595559843.db2.gz FIGCIYOEPXEPNE-MSOLQXFVSA-N 1 3 349.523 1.692 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824875 595561284 /nfs/dbraw/zinc/56/12/84/595561284.db2.gz HGJCNSUFJDQDSH-IRXDYDNUSA-N 1 3 331.460 1.695 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852868381 595587548 /nfs/dbraw/zinc/58/75/48/595587548.db2.gz RNUXKIYLYACYRK-HZPDHXFCSA-N 1 3 330.432 1.071 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852868381 595587551 /nfs/dbraw/zinc/58/75/51/595587551.db2.gz RNUXKIYLYACYRK-HZPDHXFCSA-N 1 3 330.432 1.071 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852868379 595587935 /nfs/dbraw/zinc/58/79/35/595587935.db2.gz RNUXKIYLYACYRK-CVEARBPZSA-N 1 3 330.432 1.071 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852868379 595587938 /nfs/dbraw/zinc/58/79/38/595587938.db2.gz RNUXKIYLYACYRK-CVEARBPZSA-N 1 3 330.432 1.071 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000855346367 595680249 /nfs/dbraw/zinc/68/02/49/595680249.db2.gz YWFVZERAKSWTGP-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(-c2ccccc2)n1 ZINC000855346367 595680251 /nfs/dbraw/zinc/68/02/51/595680251.db2.gz YWFVZERAKSWTGP-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951896 595983854 /nfs/dbraw/zinc/98/38/54/595983854.db2.gz GVBQHRHUVFIQDW-JYJNAYRXSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951896 595983856 /nfs/dbraw/zinc/98/38/56/595983856.db2.gz GVBQHRHUVFIQDW-JYJNAYRXSA-N 1 3 329.485 1.534 20 0 EDADHO COc1cc(-c2noc(CC3([NH3+])CC3)n2)ccc1OCCN(C)C ZINC000854145174 595989694 /nfs/dbraw/zinc/98/96/94/595989694.db2.gz NZZZMLULSLHDHJ-UHFFFAOYSA-N 1 3 332.404 1.719 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CNCCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000861646359 596056413 /nfs/dbraw/zinc/05/64/13/596056413.db2.gz QGHJCOBTQYIMAY-UTLUCORTSA-N 1 3 344.328 1.152 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745370 596086575 /nfs/dbraw/zinc/08/65/75/596086575.db2.gz JQRCTXIJGXKCEE-RDJZCZTQSA-N 1 3 348.491 1.065 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC(C)=NO3)CC2)CC1 ZINC000854801622 596203069 /nfs/dbraw/zinc/20/30/69/596203069.db2.gz DCXDPHLHNKSFKF-KRWDZBQOSA-N 1 3 336.480 1.464 20 0 EDADHO C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208109 /nfs/dbraw/zinc/20/81/09/596208109.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 1 3 343.471 1.387 20 0 EDADHO C[N@H+]1CCC[C@H](c2cccc(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208110 /nfs/dbraw/zinc/20/81/10/596208110.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 1 3 343.471 1.387 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccns3)CC2)CC1 ZINC000862409552 596323105 /nfs/dbraw/zinc/32/31/05/596323105.db2.gz VRQUJYKKFXADGE-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866219 596382440 /nfs/dbraw/zinc/38/24/40/596382440.db2.gz WGGFHIRZYBISQM-UWVAXJGDSA-N 1 3 342.487 1.890 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868233211 596738081 /nfs/dbraw/zinc/73/80/81/596738081.db2.gz WDQYAKCOSVTGMD-UHOFOFEASA-N 1 3 330.432 1.040 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C1 ZINC000868303205 596778162 /nfs/dbraw/zinc/77/81/62/596778162.db2.gz YGIDFVCRRZHEJN-IYBDPMFKSA-N 1 3 344.459 1.465 20 0 EDADHO Cc1cc(C)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254518 596855740 /nfs/dbraw/zinc/85/57/40/596855740.db2.gz GHIHCRCBXCZUSP-KSZLIROESA-N 1 3 329.444 1.979 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N3CCC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000876513539 597226159 /nfs/dbraw/zinc/22/61/59/597226159.db2.gz FGYJATCBPDEWAF-CYBMUJFWSA-N 1 3 345.447 1.114 20 0 EDADHO c1c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)sc2c1CNCC2 ZINC000873210285 597228680 /nfs/dbraw/zinc/22/86/80/597228680.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 1 3 335.517 1.938 20 0 EDADHO c1c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)sc2c1CNCC2 ZINC000873210285 597228684 /nfs/dbraw/zinc/22/86/84/597228684.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 1 3 335.517 1.938 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873311235 597253111 /nfs/dbraw/zinc/25/31/11/597253111.db2.gz ZLORRQRJVDKAHB-HNNXBMFYSA-N 1 3 348.495 1.879 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000875071774 597269773 /nfs/dbraw/zinc/26/97/73/597269773.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)[N@H+]1CCC[C@H](C)C1 ZINC000875071774 597269775 /nfs/dbraw/zinc/26/97/75/597269775.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 1 3 340.512 1.251 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(CN)cnn1C ZINC000876719557 597303112 /nfs/dbraw/zinc/30/31/12/597303112.db2.gz OGKXQYCVLMTVKW-UHFFFAOYSA-N 1 3 329.448 1.649 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c(CN)cnn1C ZINC000876719557 597303116 /nfs/dbraw/zinc/30/31/16/597303116.db2.gz OGKXQYCVLMTVKW-UHFFFAOYSA-N 1 3 329.448 1.649 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)c3c(CN)cnn3C)CCCC2)CC1 ZINC000876758899 597326488 /nfs/dbraw/zinc/32/64/88/597326488.db2.gz NSJOAPDLVMXJCL-UHFFFAOYSA-N 1 3 349.479 1.032 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876769373 597331648 /nfs/dbraw/zinc/33/16/48/597331648.db2.gz VOIXIKKWHNSQEE-UHFFFAOYSA-N 1 3 340.431 1.647 20 0 EDADHO CN(C)CC[C@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)C(C)(C)C ZINC000877037074 597418715 /nfs/dbraw/zinc/41/87/15/597418715.db2.gz JNYOVDNLMJBFEU-HNNXBMFYSA-N 1 3 327.494 1.790 20 0 EDADHO CC[C@@H](C(=O)NCc1cccc(-n2cc(CN)nn2)c1)[NH+](CC)CC ZINC000877207385 597462649 /nfs/dbraw/zinc/46/26/49/597462649.db2.gz UVTCRZSKKYGKMD-KRWDZBQOSA-N 1 3 344.463 1.463 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468210 /nfs/dbraw/zinc/46/82/10/597468210.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468213 /nfs/dbraw/zinc/46/82/13/597468213.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1Cc2ccccc2CN1)c1ccc(F)cc1 ZINC000877344304 597496662 /nfs/dbraw/zinc/49/66/62/597496662.db2.gz WSNVLKKVSUGADA-ZWKOTPCHSA-N 1 3 327.403 1.699 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403097 597510674 /nfs/dbraw/zinc/51/06/74/597510674.db2.gz MZPBHJDWBNRRRI-KRWDZBQOSA-N 1 3 336.524 1.443 20 0 EDADHO COc1cnc(F)c(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000877525559 597530743 /nfs/dbraw/zinc/53/07/43/597530743.db2.gz HFVVJGRSRMRHQM-MRXNPFEDSA-N 1 3 336.455 1.830 20 0 EDADHO COCC[N@H+](C[C@H](OC)C1CCOCC1)CC1CCN(C)CC1 ZINC000877664530 597545897 /nfs/dbraw/zinc/54/58/97/597545897.db2.gz QKDIYZMYFZLPPB-SFHVURJKSA-N 1 3 328.497 1.718 20 0 EDADHO COCC[N@@H+](C[C@H](OC)C1CCOCC1)CC1CCN(C)CC1 ZINC000877664530 597545898 /nfs/dbraw/zinc/54/58/98/597545898.db2.gz QKDIYZMYFZLPPB-SFHVURJKSA-N 1 3 328.497 1.718 20 0 EDADHO CN1CC[C@H](NCC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000878570313 597638989 /nfs/dbraw/zinc/63/89/89/597638989.db2.gz WQISQKJSRPAISB-HKUYNNGSSA-N 1 3 330.476 1.232 20 0 EDADHO CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000881627275 597663563 /nfs/dbraw/zinc/66/35/63/597663563.db2.gz XBVYVJZUERVUDX-SFHVURJKSA-N 1 3 348.535 1.633 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]CCC12CCC2)c1ccccc1 ZINC000883459098 597756645 /nfs/dbraw/zinc/75/66/45/597756645.db2.gz JYJDLHINQCLIMT-SFHVURJKSA-N 1 3 344.503 1.624 20 0 EDADHO O[C@]12C[C@H]1CN(CC(C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)C1CCCC1)CC2 ZINC000878950617 597764838 /nfs/dbraw/zinc/76/48/38/597764838.db2.gz YDBBFDVOUIDGKP-VNTMZGSJSA-N 1 3 334.504 1.706 20 0 EDADHO O[C@]12C[C@H]1CN(CC(C[N@H+]1CC[C@@]3(O)C[C@H]3C1)C1CCCC1)CC2 ZINC000878950617 597764840 /nfs/dbraw/zinc/76/48/40/597764840.db2.gz YDBBFDVOUIDGKP-VNTMZGSJSA-N 1 3 334.504 1.706 20 0 EDADHO COCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000884200175 598026007 /nfs/dbraw/zinc/02/60/07/598026007.db2.gz VPIABZPVWKBACH-ZDUSSCGKSA-N 1 3 329.828 1.583 20 0 EDADHO N[C@@H](CC1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000884221378 598033526 /nfs/dbraw/zinc/03/35/26/598033526.db2.gz QLYZDZFAKGAVKE-HNNXBMFYSA-N 1 3 325.522 1.982 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325491 598068133 /nfs/dbraw/zinc/06/81/33/598068133.db2.gz RUZPDSDUNNXUNM-RHSMWYFYSA-N 1 3 330.476 1.969 20 0 EDADHO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914097932 695094520 /nfs/dbraw/zinc/09/45/20/695094520.db2.gz OQVZPBFVXJEDMB-BBWFWOEESA-N 1 3 341.521 1.361 20 0 EDADHO C[N@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914097932 695094527 /nfs/dbraw/zinc/09/45/27/695094527.db2.gz OQVZPBFVXJEDMB-BBWFWOEESA-N 1 3 341.521 1.361 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914226089 695291001 /nfs/dbraw/zinc/29/10/01/695291001.db2.gz BIOUFQSJDKVAQS-JYJNAYRXSA-N 1 3 329.510 1.265 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)C1 ZINC000914314239 695351655 /nfs/dbraw/zinc/35/16/55/695351655.db2.gz PSFLKSVVBQFGID-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO O=C(CN1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992907879 695444769 /nfs/dbraw/zinc/44/47/69/695444769.db2.gz OUAUEIHGRNTACO-XHSDSOJGSA-N 1 3 348.516 1.956 20 0 EDADHO O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031857470 700015386 /nfs/dbraw/zinc/01/53/86/700015386.db2.gz VWIRUNXXKJDXAB-KGXSXCIVSA-N 1 3 347.503 1.478 20 0 EDADHO COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000940008466 700110366 /nfs/dbraw/zinc/11/03/66/700110366.db2.gz OBJNNZXBDFKZRU-INIZCTEOSA-N 1 3 346.475 1.655 20 0 EDADHO O=C(NCC1CN(CCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674995 697484351 /nfs/dbraw/zinc/48/43/51/697484351.db2.gz RMVHRWIRGKZKBA-LJQANCHMSA-N 1 3 327.472 1.619 20 0 EDADHO O=C(NCC1CN(C[C@H](O)C2CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675293 697484966 /nfs/dbraw/zinc/48/49/66/697484966.db2.gz BOEDLXLGWQYFGN-OALUTQOASA-N 1 3 349.519 1.317 20 0 EDADHO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000921368480 697574793 /nfs/dbraw/zinc/57/47/93/697574793.db2.gz PESYSHUEVGITIJ-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO C[N@H+]1CC[C@H]1CNC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000921368480 697574796 /nfs/dbraw/zinc/57/47/96/697574796.db2.gz PESYSHUEVGITIJ-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]1CC[C@H](CN2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)O1 ZINC001031764899 699049938 /nfs/dbraw/zinc/04/99/38/699049938.db2.gz OGWNMGCREMFBRD-NVXWUHKLSA-N 1 3 335.492 1.478 20 0 EDADHO CCc1noc(C)c1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055110 699115738 /nfs/dbraw/zinc/11/57/38/699115738.db2.gz UJTZBCHINWFQHX-ACJLOTCBSA-N 1 3 348.491 1.824 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545337 701575997 /nfs/dbraw/zinc/57/59/97/701575997.db2.gz YEDCTYSLDIJYFB-MRXNPFEDSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566975 701585530 /nfs/dbraw/zinc/58/55/30/701585530.db2.gz NHNVQSOCRLKJMM-VQIMIIECSA-N 1 3 348.535 1.203 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C2CN(CC3CCCC3)C2)CC1 ZINC000941566975 701585531 /nfs/dbraw/zinc/58/55/31/701585531.db2.gz NHNVQSOCRLKJMM-VQIMIIECSA-N 1 3 348.535 1.203 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639732 701603280 /nfs/dbraw/zinc/60/32/80/701603280.db2.gz XNLKTUFHPCMHEE-IRXDYDNUSA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941639732 701603281 /nfs/dbraw/zinc/60/32/81/701603281.db2.gz XNLKTUFHPCMHEE-IRXDYDNUSA-N 1 3 336.524 1.203 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN([C@@H](C)COC)C1 ZINC001032119478 701618215 /nfs/dbraw/zinc/61/82/15/701618215.db2.gz QNPWHHKSIOCLLT-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN([C@@H](C)COC)C1 ZINC001032119478 701618216 /nfs/dbraw/zinc/61/82/16/701618216.db2.gz QNPWHHKSIOCLLT-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)C1CC1 ZINC000940148918 700281361 /nfs/dbraw/zinc/28/13/61/700281361.db2.gz GHDXUPQAOWOAOY-DOTOQJQBSA-N 1 3 337.508 1.724 20 0 EDADHO COc1cc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995167703 701651848 /nfs/dbraw/zinc/65/18/48/701651848.db2.gz KMXFCUWPKYGJNX-UONOGXRCSA-N 1 3 348.447 1.154 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031925858 701129771 /nfs/dbraw/zinc/12/97/71/701129771.db2.gz QCHCMDAXKCJKRT-XIRDDKMYSA-N 1 3 337.508 1.580 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031925858 701129774 /nfs/dbraw/zinc/12/97/74/701129774.db2.gz QCHCMDAXKCJKRT-XIRDDKMYSA-N 1 3 337.508 1.580 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](NCc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896637 702201140 /nfs/dbraw/zinc/20/11/40/702201140.db2.gz PHVLQUJDEQILSF-SJORKVTESA-N 1 3 348.466 1.888 20 0 EDADHO COc1cccc(CCCN2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186122 702315334 /nfs/dbraw/zinc/31/53/34/702315334.db2.gz IUPUFEHEPOZAHV-SFHVURJKSA-N 1 3 345.487 1.628 20 0 EDADHO COc1cccc(CCCN2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186122 702315342 /nfs/dbraw/zinc/31/53/42/702315342.db2.gz IUPUFEHEPOZAHV-SFHVURJKSA-N 1 3 345.487 1.628 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)CC1 ZINC001032666189 706679554 /nfs/dbraw/zinc/67/95/54/706679554.db2.gz YSXHHGGAYQTBSX-SQNIBIBYSA-N 1 3 335.492 1.430 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)N(C)C ZINC000996315953 702704101 /nfs/dbraw/zinc/70/41/01/702704101.db2.gz VHBHQBQCBJEJQN-JKSUJKDBSA-N 1 3 336.455 1.888 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610909 702916075 /nfs/dbraw/zinc/91/60/75/702916075.db2.gz LMLKBGOFDSIFHR-KGLIPLIRSA-N 1 3 348.495 1.206 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n[nH]1 ZINC000996610909 702916077 /nfs/dbraw/zinc/91/60/77/702916077.db2.gz LMLKBGOFDSIFHR-KGLIPLIRSA-N 1 3 348.495 1.206 20 0 EDADHO C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CCO1 ZINC000996661745 702953962 /nfs/dbraw/zinc/95/39/62/702953962.db2.gz AAZLYDWRNAEAQZ-CVEARBPZSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996658407 702954804 /nfs/dbraw/zinc/95/48/04/702954804.db2.gz BIRNSZOAWNWCTM-WMLDXEAASA-N 1 3 333.476 1.569 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000996663951 702961880 /nfs/dbraw/zinc/96/18/80/702961880.db2.gz BNFYUEVSSPETDS-HNNXBMFYSA-N 1 3 345.491 1.911 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)N(C)C ZINC000996688973 702986425 /nfs/dbraw/zinc/98/64/25/702986425.db2.gz PUDLFEUMVVDJAL-KRWDZBQOSA-N 1 3 336.455 1.888 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996994735 703251458 /nfs/dbraw/zinc/25/14/58/703251458.db2.gz IUWQTPUDBIGSJJ-HNNXBMFYSA-N 1 3 346.475 1.655 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC000996999395 703256292 /nfs/dbraw/zinc/25/62/92/703256292.db2.gz NZSKJVACCRBUCV-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997013452 703273283 /nfs/dbraw/zinc/27/32/83/703273283.db2.gz ZOJTZUXRXXDELM-DOMZBBRYSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997013452 703273284 /nfs/dbraw/zinc/27/32/84/703273284.db2.gz ZOJTZUXRXXDELM-DOMZBBRYSA-N 1 3 336.505 1.730 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000997058512 703303974 /nfs/dbraw/zinc/30/39/74/703303974.db2.gz RVGFBYFHOIMGSA-UHFFFAOYSA-N 1 3 347.507 1.716 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997187323 703476847 /nfs/dbraw/zinc/47/68/47/703476847.db2.gz XRMUNRPJIILRPT-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997187323 703476850 /nfs/dbraw/zinc/47/68/50/703476850.db2.gz XRMUNRPJIILRPT-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997188029 703477700 /nfs/dbraw/zinc/47/77/00/703477700.db2.gz YHTMYGJPZDNISK-ZDUSSCGKSA-N 1 3 336.436 1.106 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000997188029 703477701 /nfs/dbraw/zinc/47/77/01/703477701.db2.gz YHTMYGJPZDNISK-ZDUSSCGKSA-N 1 3 336.436 1.106 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366008 703599691 /nfs/dbraw/zinc/59/96/91/703599691.db2.gz XJXIZGOOWFFESZ-QGZVFWFLSA-N 1 3 333.480 1.375 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471637 703687074 /nfs/dbraw/zinc/68/70/74/703687074.db2.gz CNEHPIBHVPIUHX-SQNIBIBYSA-N 1 3 347.503 1.574 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)s1 ZINC000997604748 703900860 /nfs/dbraw/zinc/90/08/60/703900860.db2.gz CFQXESNTDSTZDL-MRXNPFEDSA-N 1 3 336.505 1.874 20 0 EDADHO CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997608268 703905277 /nfs/dbraw/zinc/90/52/77/703905277.db2.gz TWSRBTXSOQUFDN-MRXNPFEDSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001033093188 704170022 /nfs/dbraw/zinc/17/00/22/704170022.db2.gz XWUDNYQQKDLNKH-KBAYOESNSA-N 1 3 347.507 1.318 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cn1 ZINC001033093188 704170023 /nfs/dbraw/zinc/17/00/23/704170023.db2.gz XWUDNYQQKDLNKH-KBAYOESNSA-N 1 3 347.507 1.318 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)CC1 ZINC001032711080 706803611 /nfs/dbraw/zinc/80/36/11/706803611.db2.gz GZQOODGOYWNKIJ-SZMVWBNQSA-N 1 3 335.492 1.428 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999301792 706804942 /nfs/dbraw/zinc/80/49/42/706804942.db2.gz CHFGPVRYQOFGMU-WBVHZDCISA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999301792 706804945 /nfs/dbraw/zinc/80/49/45/706804945.db2.gz CHFGPVRYQOFGMU-WBVHZDCISA-N 1 3 333.480 1.375 20 0 EDADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310882 /nfs/dbraw/zinc/31/08/82/704310882.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310884 /nfs/dbraw/zinc/31/08/84/704310884.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 1 3 335.492 1.428 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC000999308064 706808946 /nfs/dbraw/zinc/80/89/46/706808946.db2.gz OUHDNVDPAMXYPT-MSOLQXFVSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cn(C)nc2C)C1 ZINC000999308064 706808948 /nfs/dbraw/zinc/80/89/48/706808948.db2.gz OUHDNVDPAMXYPT-MSOLQXFVSA-N 1 3 347.507 1.684 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000922852620 704438807 /nfs/dbraw/zinc/43/88/07/704438807.db2.gz MLUZOBOXIHGFSX-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000922852620 704438809 /nfs/dbraw/zinc/43/88/09/704438809.db2.gz MLUZOBOXIHGFSX-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997785802 704690111 /nfs/dbraw/zinc/69/01/11/704690111.db2.gz XKMJNSXUFCZLFI-GOSISDBHSA-N 1 3 346.475 1.653 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831454 704749394 /nfs/dbraw/zinc/74/93/94/704749394.db2.gz SHYVLOPBMXVSBJ-PXNSSMCTSA-N 1 3 349.519 1.726 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998080427 705305482 /nfs/dbraw/zinc/30/54/82/705305482.db2.gz AINJWBLLLJPYRI-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000998082461 705309496 /nfs/dbraw/zinc/30/94/96/705309496.db2.gz PPUWEHYPWCHSGB-AEFFLSMTSA-N 1 3 337.508 1.583 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998083574 705312528 /nfs/dbraw/zinc/31/25/28/705312528.db2.gz WGBRHGZTDSVOLO-OAHLLOKOSA-N 1 3 345.491 1.598 20 0 EDADHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c1 ZINC000998548257 705983376 /nfs/dbraw/zinc/98/33/76/705983376.db2.gz FKYLHYKKUMNHTI-LEOMRAHMSA-N 1 3 331.460 1.868 20 0 EDADHO COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)ccn1 ZINC000998725733 706160473 /nfs/dbraw/zinc/16/04/73/706160473.db2.gz XWNJNVRRBAWXOT-HOTGVXAUSA-N 1 3 332.448 1.265 20 0 EDADHO COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCCN3C)C2)c1 ZINC000998995790 706413169 /nfs/dbraw/zinc/41/31/69/706413169.db2.gz VDRXQZOQNOWWQQ-JFUPDXTOSA-N 1 3 346.475 1.654 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518120 706574825 /nfs/dbraw/zinc/57/48/25/706574825.db2.gz OELPMVWZHZIWKG-INDMIFKZSA-N 1 3 349.519 1.678 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518120 706574831 /nfs/dbraw/zinc/57/48/31/706574831.db2.gz OELPMVWZHZIWKG-INDMIFKZSA-N 1 3 349.519 1.678 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000999347249 706858524 /nfs/dbraw/zinc/85/85/24/706858524.db2.gz HUDVKIFGLPRRNF-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3cnn(C)c3)C2)C1 ZINC000999347249 706858527 /nfs/dbraw/zinc/85/85/27/706858527.db2.gz HUDVKIFGLPRRNF-ZWKOTPCHSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999353038 706866149 /nfs/dbraw/zinc/86/61/49/706866149.db2.gz LNQASMXXVXXXED-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999353038 706866152 /nfs/dbraw/zinc/86/61/52/706866152.db2.gz LNQASMXXVXXXED-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO CCc1onc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362303 706875665 /nfs/dbraw/zinc/87/56/65/706875665.db2.gz AKJUVMAXAUJBIH-CRAIPNDOSA-N 1 3 348.491 1.966 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999405290 706914391 /nfs/dbraw/zinc/91/43/91/706914391.db2.gz FKTHNNULDZFDOX-JEYLPNPQSA-N 1 3 348.495 1.170 20 0 EDADHO CCn1nnc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999405290 706914392 /nfs/dbraw/zinc/91/43/92/706914392.db2.gz FKTHNNULDZFDOX-JEYLPNPQSA-N 1 3 348.495 1.170 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC000999597488 707100223 /nfs/dbraw/zinc/10/02/23/707100223.db2.gz FOHCXZJSSGUSGV-WWDZGPRUSA-N 1 3 337.508 1.724 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921686777 707311247 /nfs/dbraw/zinc/31/12/47/707311247.db2.gz XWLJCULMXWJNHU-QGZVFWFLSA-N 1 3 346.519 1.752 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)n1 ZINC000999834193 707466665 /nfs/dbraw/zinc/46/66/65/707466665.db2.gz UFJOKXKJVGKDGZ-UHFFFAOYSA-N 1 3 333.480 1.175 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999876308 707523131 /nfs/dbraw/zinc/52/31/31/707523131.db2.gz LVIGINZMDZTBHW-DAWZGUTISA-N 1 3 345.491 1.738 20 0 EDADHO C[C@H](NCc1cncn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983848 707866726 /nfs/dbraw/zinc/86/67/26/707866726.db2.gz SGICWNWAPKICJL-RDJZCZTQSA-N 1 3 345.491 1.375 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033475014 707964740 /nfs/dbraw/zinc/96/47/40/707964740.db2.gz NTMSSZPQYDYBDZ-QGZVFWFLSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183391 708133648 /nfs/dbraw/zinc/13/36/48/708133648.db2.gz HWPLOTOMIXWGIT-INIZCTEOSA-N 1 3 336.505 1.703 20 0 EDADHO COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685366 708499329 /nfs/dbraw/zinc/49/93/29/708499329.db2.gz SNDUXTWGXFSFGT-YJBOKZPZSA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685366 708499330 /nfs/dbraw/zinc/49/93/30/708499330.db2.gz SNDUXTWGXFSFGT-YJBOKZPZSA-N 1 3 333.476 1.929 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038231 708559649 /nfs/dbraw/zinc/55/96/49/708559649.db2.gz UZILPZITIBJAPP-GOSISDBHSA-N 1 3 339.524 1.852 20 0 EDADHO CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005424455 708942473 /nfs/dbraw/zinc/94/24/73/708942473.db2.gz JTLMAOPBNJFHPX-MSOLQXFVSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001033988687 709194831 /nfs/dbraw/zinc/19/48/31/709194831.db2.gz HCTXXMXRFSWWAS-QAPCUYQASA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037730 709270247 /nfs/dbraw/zinc/27/02/47/709270247.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 1 3 347.507 1.320 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037730 709270249 /nfs/dbraw/zinc/27/02/49/709270249.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 1 3 347.507 1.320 20 0 EDADHO CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331268 710255491 /nfs/dbraw/zinc/25/54/91/710255491.db2.gz GFIBYPNZBDQRTO-RMXPPQQLSA-N 1 3 335.492 1.476 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632680 710461238 /nfs/dbraw/zinc/46/12/38/710461238.db2.gz BRDGZLNXJUFFAV-BEFAXECRSA-N 1 3 345.487 1.974 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632680 710461240 /nfs/dbraw/zinc/46/12/40/710461240.db2.gz BRDGZLNXJUFFAV-BEFAXECRSA-N 1 3 345.487 1.974 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001034720210 710886809 /nfs/dbraw/zinc/88/68/09/710886809.db2.gz AONKXZHRKLDJJK-QAQDUYKDSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034778638 711081883 /nfs/dbraw/zinc/08/18/83/711081883.db2.gz XPIWCBLOCMMZJT-WKILWMFISA-N 1 3 343.475 1.398 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003973705 711129493 /nfs/dbraw/zinc/12/94/93/711129493.db2.gz DWFYLUYGRPJVBG-VQIMIIECSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003973705 711129496 /nfs/dbraw/zinc/12/94/96/711129496.db2.gz DWFYLUYGRPJVBG-VQIMIIECSA-N 1 3 345.487 1.642 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034954902 711421495 /nfs/dbraw/zinc/42/14/95/711421495.db2.gz XCNSBPOSZVZQSA-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034954902 711421497 /nfs/dbraw/zinc/42/14/97/711421497.db2.gz XCNSBPOSZVZQSA-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4n3CCOC4)C2)[C@@H]1C(C)C ZINC000922393006 711458319 /nfs/dbraw/zinc/45/83/19/711458319.db2.gz IYNHFAYOLPGHIS-ZAWLATJESA-N 1 3 348.491 1.373 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4n3CCOC4)C2)[C@@H]1C(C)C ZINC000922393006 711458320 /nfs/dbraw/zinc/45/83/20/711458320.db2.gz IYNHFAYOLPGHIS-ZAWLATJESA-N 1 3 348.491 1.373 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)C1 ZINC001004146545 711557128 /nfs/dbraw/zinc/55/71/28/711557128.db2.gz YGTUHIRYWONCRX-INIZCTEOSA-N 1 3 343.471 1.749 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc4c(c3)COC4)CC2)C1 ZINC001004146545 711557131 /nfs/dbraw/zinc/55/71/31/711557131.db2.gz YGTUHIRYWONCRX-INIZCTEOSA-N 1 3 343.471 1.749 20 0 EDADHO Cc1ncsc1CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004146971 711558387 /nfs/dbraw/zinc/55/83/87/711558387.db2.gz CDLOMCMBHMNGLJ-CQSZACIVSA-N 1 3 336.505 1.526 20 0 EDADHO Cc1ncsc1CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004146971 711558390 /nfs/dbraw/zinc/55/83/90/711558390.db2.gz CDLOMCMBHMNGLJ-CQSZACIVSA-N 1 3 336.505 1.526 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001004149070 711562998 /nfs/dbraw/zinc/56/29/98/711562998.db2.gz DFPHWJKZKMVMTA-CRAIPNDOSA-N 1 3 349.450 1.391 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001004149070 711563000 /nfs/dbraw/zinc/56/30/00/711563000.db2.gz DFPHWJKZKMVMTA-CRAIPNDOSA-N 1 3 349.450 1.391 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518449 219130657 /nfs/dbraw/zinc/13/06/57/219130657.db2.gz ZKCIUVYUZKNOCV-HNNXBMFYSA-N 1 3 334.464 1.171 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518449 219130659 /nfs/dbraw/zinc/13/06/59/219130659.db2.gz ZKCIUVYUZKNOCV-HNNXBMFYSA-N 1 3 334.464 1.171 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000169212020 529993636 /nfs/dbraw/zinc/99/36/36/529993636.db2.gz QLHOHXKDBWJDOL-WMLDXEAASA-N 1 3 346.475 1.647 20 0 EDADHO CN1CCC(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000332972615 539618614 /nfs/dbraw/zinc/61/86/14/539618614.db2.gz CUBCCIXEBBFTSI-ROUUACIJSA-N 1 3 337.508 1.602 20 0 EDADHO Cc1csc(=O)n1CCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333839745 539654816 /nfs/dbraw/zinc/65/48/16/539654816.db2.gz KYSHJWUGMJLJAS-HUUCEWRRSA-N 1 3 325.478 1.437 20 0 EDADHO CCN(C)CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000103311170 219289304 /nfs/dbraw/zinc/28/93/04/219289304.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 1 3 332.492 1.802 20 0 EDADHO CCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000103311170 219289307 /nfs/dbraw/zinc/28/93/07/219289307.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 1 3 332.492 1.802 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104438851 219387536 /nfs/dbraw/zinc/38/75/36/219387536.db2.gz ZHADMANAFXNFIQ-UHFFFAOYSA-N 1 3 346.519 1.604 20 0 EDADHO CCN(CC)CC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104438851 219387538 /nfs/dbraw/zinc/38/75/38/219387538.db2.gz ZHADMANAFXNFIQ-UHFFFAOYSA-N 1 3 346.519 1.604 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000562789359 306309000 /nfs/dbraw/zinc/30/90/00/306309000.db2.gz UXGITNCIAYSHPJ-UHFFFAOYSA-N 1 3 346.475 1.411 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000562789359 306309001 /nfs/dbraw/zinc/30/90/01/306309001.db2.gz UXGITNCIAYSHPJ-UHFFFAOYSA-N 1 3 346.475 1.411 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000562789008 306309046 /nfs/dbraw/zinc/30/90/46/306309046.db2.gz IHJDFVCANNNECP-APWZRJJASA-N 1 3 344.503 1.991 20 0 EDADHO C[C@@H](CC(=O)Nc1ccc(N2CCNCC2)cn1)C1CC[NH2+]CC1 ZINC000562804657 306309617 /nfs/dbraw/zinc/30/96/17/306309617.db2.gz SLDOWFUPBALEKJ-AWEZNQCLSA-N 1 3 331.464 1.456 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000367604403 283136139 /nfs/dbraw/zinc/13/61/39/283136139.db2.gz BKJOBTKLLRGFCC-OKZBNKHCSA-N 1 3 344.507 1.061 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000367604403 283136145 /nfs/dbraw/zinc/13/61/45/283136145.db2.gz BKJOBTKLLRGFCC-OKZBNKHCSA-N 1 3 344.507 1.061 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000360170768 283165819 /nfs/dbraw/zinc/16/58/19/283165819.db2.gz KQTPACCJIWJSQD-MRXNPFEDSA-N 1 3 340.512 1.215 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000360170768 283165820 /nfs/dbraw/zinc/16/58/20/283165820.db2.gz KQTPACCJIWJSQD-MRXNPFEDSA-N 1 3 340.512 1.215 20 0 EDADHO CCCN1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076323852 138248032 /nfs/dbraw/zinc/24/80/32/138248032.db2.gz BOQIQUDDTJIMGC-KRWDZBQOSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579995 138279693 /nfs/dbraw/zinc/27/96/93/138279693.db2.gz QXRTVQGFCBKTEW-MGPQQGTHSA-N 1 3 345.534 1.687 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000563595965 306340963 /nfs/dbraw/zinc/34/09/63/306340963.db2.gz BGFVBVSIJHXIGC-UHFFFAOYSA-N 1 3 336.455 1.899 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000123969704 138322575 /nfs/dbraw/zinc/32/25/75/138322575.db2.gz OSJVJONOSWRFID-OAHLLOKOSA-N 1 3 346.475 1.677 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837924 306366336 /nfs/dbraw/zinc/36/63/36/306366336.db2.gz SEXSGXYRODXWOR-ILZDJORESA-N 1 3 327.472 1.860 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000564937525 306370315 /nfs/dbraw/zinc/37/03/15/306370315.db2.gz NEQIXTHTTQOABP-QGZVFWFLSA-N 1 3 334.464 1.222 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1CN ZINC000564937525 306370316 /nfs/dbraw/zinc/37/03/16/306370316.db2.gz NEQIXTHTTQOABP-QGZVFWFLSA-N 1 3 334.464 1.222 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000564949357 306371115 /nfs/dbraw/zinc/37/11/15/306371115.db2.gz HYNBUTOLHRPMCV-WMZOPIPTSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987663 304093124 /nfs/dbraw/zinc/09/31/24/304093124.db2.gz YBLCYMLAPWLXAB-WMZOPIPTSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987663 304093125 /nfs/dbraw/zinc/09/31/25/304093125.db2.gz YBLCYMLAPWLXAB-WMZOPIPTSA-N 1 3 345.487 1.327 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCCCC2)c1 ZINC000414703809 304130177 /nfs/dbraw/zinc/13/01/77/304130177.db2.gz MFACFLJHOFJYHZ-UHFFFAOYSA-N 1 3 332.448 1.337 20 0 EDADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](COC)Cc1ccccc1 ZINC000414705170 304130357 /nfs/dbraw/zinc/13/03/57/304130357.db2.gz LEJCTVMLHWLNEC-OALUTQOASA-N 1 3 347.503 1.763 20 0 EDADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H](COC)Cc1ccccc1 ZINC000414705170 304130358 /nfs/dbraw/zinc/13/03/58/304130358.db2.gz LEJCTVMLHWLNEC-OALUTQOASA-N 1 3 347.503 1.763 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000414741416 304135549 /nfs/dbraw/zinc/13/55/49/304135549.db2.gz KXJSAUIQACIJGI-GJZGRUSLSA-N 1 3 346.475 1.581 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000415137096 304162908 /nfs/dbraw/zinc/16/29/08/304162908.db2.gz DVGMERROUFWEDX-XJKSGUPXSA-N 1 3 330.432 1.040 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000236960177 139036657 /nfs/dbraw/zinc/03/66/57/139036657.db2.gz NWCRBCCSZJHQOG-SFHVURJKSA-N 1 3 330.476 1.050 20 0 EDADHO C[NH2+]CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237072290 139039800 /nfs/dbraw/zinc/03/98/00/139039800.db2.gz REXYCSYUXGOSSP-OAHLLOKOSA-N 1 3 329.366 1.777 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000237190970 139043392 /nfs/dbraw/zinc/04/33/92/139043392.db2.gz PCPQJCQCABPGDZ-GOSISDBHSA-N 1 3 346.519 1.556 20 0 EDADHO CSCC[C@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000237321435 139047875 /nfs/dbraw/zinc/04/78/75/139047875.db2.gz ZXJQAOYYMHSZPK-HNNXBMFYSA-N 1 3 325.478 1.324 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000415188589 304173006 /nfs/dbraw/zinc/17/30/06/304173006.db2.gz BGJUBDMEUYLXFY-MRXNPFEDSA-N 1 3 346.475 1.581 20 0 EDADHO O=C(NC1C[NH2+]C1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000237793364 139060440 /nfs/dbraw/zinc/06/04/40/139060440.db2.gz GEECYTLKDYQNOZ-OAHLLOKOSA-N 1 3 327.350 1.529 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791033 220189704 /nfs/dbraw/zinc/18/97/04/220189704.db2.gz IUOCYHZRINLSRB-OAHLLOKOSA-N 1 3 340.512 1.706 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415290091 304186970 /nfs/dbraw/zinc/18/69/70/304186970.db2.gz FSRKKDROUIGHPR-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000415297336 304188222 /nfs/dbraw/zinc/18/82/22/304188222.db2.gz NOGHLSYVLCOYEL-INIZCTEOSA-N 1 3 332.448 1.286 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000247114036 139136197 /nfs/dbraw/zinc/13/61/97/139136197.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000247114036 139136198 /nfs/dbraw/zinc/13/61/98/139136198.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1Cc1ccccc1 ZINC000261673963 139216322 /nfs/dbraw/zinc/21/63/22/139216322.db2.gz GLJXXOZTOBTUGT-HPBDAGMYSA-N 1 3 331.460 1.662 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1Cc1ccccc1 ZINC000261673965 139216391 /nfs/dbraw/zinc/21/63/91/139216391.db2.gz GLJXXOZTOBTUGT-OWLYRPNTSA-N 1 3 331.460 1.662 20 0 EDADHO [NH3+]C[C@@H]1CN(CCc2nnnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261861263 139232070 /nfs/dbraw/zinc/23/20/70/139232070.db2.gz WLMLYZJFOHXNLK-MJGOQNOKSA-N 1 3 348.454 1.879 20 0 EDADHO C[C@H]([NH3+])CC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000261866480 139232693 /nfs/dbraw/zinc/23/26/93/139232693.db2.gz QEZCWUNOPDICEX-LBPRGKRZSA-N 1 3 333.436 1.578 20 0 EDADHO C[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H]1C[NH3+] ZINC000262018293 139244270 /nfs/dbraw/zinc/24/42/70/139244270.db2.gz IHMWAKKHPMHZTJ-CJNGLKHVSA-N 1 3 325.478 1.496 20 0 EDADHO [NH3+]CC1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCOCC1 ZINC000262101800 139250962 /nfs/dbraw/zinc/25/09/62/139250962.db2.gz DSBDBZLYWXRULG-UHFFFAOYSA-N 1 3 347.459 1.337 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000569330724 306503627 /nfs/dbraw/zinc/50/36/27/306503627.db2.gz ARKMBYSNAGDMSQ-KSSFIOAISA-N 1 3 330.476 1.794 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000569336800 306504094 /nfs/dbraw/zinc/50/40/94/306504094.db2.gz NXSLUFJMDUMWHP-OAHLLOKOSA-N 1 3 340.512 1.070 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416831410 251112985 /nfs/dbraw/zinc/11/29/85/251112985.db2.gz VMORVNQZHBILIW-YOEHRIQHSA-N 1 3 334.464 1.739 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000416992245 251120799 /nfs/dbraw/zinc/12/07/99/251120799.db2.gz PDMXZIZAEFBOLN-MRXNPFEDSA-N 1 3 347.507 1.361 20 0 EDADHO COCC1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000262439154 139279064 /nfs/dbraw/zinc/27/90/64/139279064.db2.gz XTOQANOXTPICND-GOSISDBHSA-N 1 3 341.455 1.972 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417756121 251257958 /nfs/dbraw/zinc/25/79/58/251257958.db2.gz RSRIXUZLJGWJKH-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)CN1CCN(C)CC1 ZINC000417749739 251253546 /nfs/dbraw/zinc/25/35/46/251253546.db2.gz JNKHWWXMTOEFSA-NVXWUHKLSA-N 1 3 339.528 1.077 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000417792423 251272701 /nfs/dbraw/zinc/27/27/01/251272701.db2.gz KCLBLICHIJRQJR-KGLIPLIRSA-N 1 3 330.423 1.547 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000417792423 251272705 /nfs/dbraw/zinc/27/27/05/251272705.db2.gz KCLBLICHIJRQJR-KGLIPLIRSA-N 1 3 330.423 1.547 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417804923 251277240 /nfs/dbraw/zinc/27/72/40/251277240.db2.gz GWZXPINXFCWPBW-CABCVRRESA-N 1 3 326.485 1.255 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417811203 251279156 /nfs/dbraw/zinc/27/91/56/251279156.db2.gz OKYFPWFZOYWZAP-MRXNPFEDSA-N 1 3 340.512 1.565 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000418110074 251324401 /nfs/dbraw/zinc/32/44/01/251324401.db2.gz VUJRFBSDADKAQI-ZWKOTPCHSA-N 1 3 330.476 1.759 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418159857 251349284 /nfs/dbraw/zinc/34/92/84/251349284.db2.gz CWFKOJXGOHJRJJ-RRFJBIMHSA-N 1 3 338.452 1.468 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418718810 251394832 /nfs/dbraw/zinc/39/48/32/251394832.db2.gz UITGFICPKKCLQT-CQSZACIVSA-N 1 3 328.407 1.742 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@@H]1CCCN1CC ZINC000418707283 251389325 /nfs/dbraw/zinc/38/93/25/251389325.db2.gz GGDYBSUOCLGJOS-IRXDYDNUSA-N 1 3 333.480 1.815 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420361157 251700545 /nfs/dbraw/zinc/70/05/45/251700545.db2.gz MTPJRBDVZVQLAW-MRXNPFEDSA-N 1 3 346.475 1.770 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422874752 252007672 /nfs/dbraw/zinc/00/76/72/252007672.db2.gz AZZZYZWDGDYYHH-QXAKKESOSA-N 1 3 346.519 1.477 20 0 EDADHO C[C@H](NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H]1CC[NH2+]C1 ZINC000423008011 252025721 /nfs/dbraw/zinc/02/57/21/252025721.db2.gz SEYLCYNZGAMIJS-NQYYFHDYSA-N 1 3 342.487 1.173 20 0 EDADHO OC[C@H](CNC1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000423069985 252033141 /nfs/dbraw/zinc/03/31/41/252033141.db2.gz BYJBWUGTCJRDKE-ZDUSSCGKSA-N 1 3 327.266 1.942 20 0 EDADHO OC[C@H](C[NH2+]C1CCNCC1)Cc1ccc(Br)cc1 ZINC000423069985 252033145 /nfs/dbraw/zinc/03/31/45/252033145.db2.gz BYJBWUGTCJRDKE-ZDUSSCGKSA-N 1 3 327.266 1.942 20 0 EDADHO C[C@@H](NC[C@@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150716 252037795 /nfs/dbraw/zinc/03/77/95/252037795.db2.gz BZRBATNATOVOIB-MNOVXSKESA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1CNC1 ZINC000423150716 252037800 /nfs/dbraw/zinc/03/78/00/252037800.db2.gz BZRBATNATOVOIB-MNOVXSKESA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775146 252068863 /nfs/dbraw/zinc/06/88/63/252068863.db2.gz LYTGCHCWFDHHRD-MRXNPFEDSA-N 1 3 331.460 1.488 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990775 252021547 /nfs/dbraw/zinc/02/15/47/252021547.db2.gz NYRVRERDLCFERP-CZUORRHYSA-N 1 3 338.423 1.770 20 0 EDADHO CN(C)CCOCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423801956 252080702 /nfs/dbraw/zinc/08/07/02/252080702.db2.gz UPADNNWDBHOWER-UHFFFAOYSA-N 1 3 333.476 1.537 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156776 252147860 /nfs/dbraw/zinc/14/78/60/252147860.db2.gz OUBYUZKLJWIORM-CVEARBPZSA-N 1 3 348.495 1.587 20 0 EDADHO CN(C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000424154773 252148073 /nfs/dbraw/zinc/14/80/73/252148073.db2.gz LXLRPAWBRGQDSF-ZFWWWQNUSA-N 1 3 331.464 1.196 20 0 EDADHO COC(=O)CC1CC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000424339406 252198420 /nfs/dbraw/zinc/19/84/20/252198420.db2.gz VRUFMRDOZXBMPB-UHFFFAOYSA-N 1 3 346.471 1.945 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000111843321 285024438 /nfs/dbraw/zinc/02/44/38/285024438.db2.gz WOKGLBHEWRMREQ-IAGOWNOFSA-N 1 3 340.512 1.517 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccnn1C ZINC000263657763 139350438 /nfs/dbraw/zinc/35/04/38/139350438.db2.gz CIIVBFKVMPSDKO-KBOKABMXSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccnn1C ZINC000263657763 139350439 /nfs/dbraw/zinc/35/04/39/139350439.db2.gz CIIVBFKVMPSDKO-KBOKABMXSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@@H](C)COC ZINC000360157694 285245892 /nfs/dbraw/zinc/24/58/92/285245892.db2.gz VUBCHIOWSZNABM-YESZJQIVSA-N 1 3 327.513 1.780 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@@H](C)COC ZINC000360157694 285245896 /nfs/dbraw/zinc/24/58/96/285245896.db2.gz VUBCHIOWSZNABM-YESZJQIVSA-N 1 3 327.513 1.780 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cccc(CNC(=O)/C=C\C[NH+](C)C)c1 ZINC000491686057 255141346 /nfs/dbraw/zinc/14/13/46/255141346.db2.gz OUFDESUTUGCSTK-NAKBGQTNSA-N 1 3 344.459 1.477 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000491686057 255141347 /nfs/dbraw/zinc/14/13/47/255141347.db2.gz OUFDESUTUGCSTK-NAKBGQTNSA-N 1 3 344.459 1.477 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415788595 304271324 /nfs/dbraw/zinc/27/13/24/304271324.db2.gz QPXZEGGZWQMLCW-JKSUJKDBSA-N 1 3 344.459 1.206 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305725 255378334 /nfs/dbraw/zinc/37/83/34/255378334.db2.gz ITYCOSMLPJPJRP-AWEZNQCLSA-N 1 3 325.457 1.063 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118094780 221115303 /nfs/dbraw/zinc/11/53/03/221115303.db2.gz CQIPEKMHEMGLTJ-UHFFFAOYSA-N 1 3 334.464 1.187 20 0 EDADHO COC(=O)[C@H](C)Oc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000271873133 140364626 /nfs/dbraw/zinc/36/46/26/140364626.db2.gz YLNQORPPRZBPBV-AWEZNQCLSA-N 1 3 336.432 1.173 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333442182 141317615 /nfs/dbraw/zinc/31/76/15/141317615.db2.gz WGIFXXYIQRZLOF-RUGDWHBFSA-N 1 3 328.460 1.605 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333501426 141327545 /nfs/dbraw/zinc/32/75/45/141327545.db2.gz DJFXIZKVZNUXRU-IAGOWNOFSA-N 1 3 343.475 1.549 20 0 EDADHO C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)CN1 ZINC000333660425 141351909 /nfs/dbraw/zinc/35/19/09/141351909.db2.gz LMAANGNMDZYWFW-ILXVDBEPSA-N 1 3 348.466 1.911 20 0 EDADHO [NH3+][C@H]1CCC[C@H]1CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340119997 142271981 /nfs/dbraw/zinc/27/19/81/142271981.db2.gz OPGOZKGGVPNUSD-WMZOPIPTSA-N 1 3 345.491 1.227 20 0 EDADHO C[C@@H]([NH3+])CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000340177692 142293103 /nfs/dbraw/zinc/29/31/03/142293103.db2.gz UAPKSXVHKJHUCS-QGZVFWFLSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252308 142320365 /nfs/dbraw/zinc/32/03/65/142320365.db2.gz LOBRXDSNMFLOIY-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCC1 ZINC000340311972 142338188 /nfs/dbraw/zinc/33/81/88/142338188.db2.gz KQGHHCXULKHKDF-GOSISDBHSA-N 1 3 339.524 1.802 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCC1 ZINC000340311972 142338189 /nfs/dbraw/zinc/33/81/89/142338189.db2.gz KQGHHCXULKHKDF-GOSISDBHSA-N 1 3 339.524 1.802 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1[C@H](C)CC[C@H]1C ZINC000345010408 143038962 /nfs/dbraw/zinc/03/89/62/143038962.db2.gz NZGNKSJOOISXMX-BZUAXINKSA-N 1 3 325.497 1.553 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1[C@H](C)CC[C@H]1C ZINC000345010408 143038963 /nfs/dbraw/zinc/03/89/63/143038963.db2.gz NZGNKSJOOISXMX-BZUAXINKSA-N 1 3 325.497 1.553 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345800680 143134962 /nfs/dbraw/zinc/13/49/62/143134962.db2.gz YEBGQLYTVGKEEE-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000347017917 143271957 /nfs/dbraw/zinc/27/19/57/143271957.db2.gz KVWKIURWRDPTNG-LBPRGKRZSA-N 1 3 333.461 1.425 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000347034267 143274369 /nfs/dbraw/zinc/27/43/69/143274369.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 1 3 332.492 1.338 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000347048719 143276323 /nfs/dbraw/zinc/27/63/23/143276323.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000347048719 143276324 /nfs/dbraw/zinc/27/63/24/143276324.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416843003 304351007 /nfs/dbraw/zinc/35/10/07/304351007.db2.gz OFLJBRRCFZBJFZ-OKZBNKHCSA-N 1 3 328.460 1.512 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000352789923 149166929 /nfs/dbraw/zinc/16/69/29/149166929.db2.gz GXAKLFDUPZGNCM-SJLPKXTDSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000352789923 149166932 /nfs/dbraw/zinc/16/69/32/149166932.db2.gz GXAKLFDUPZGNCM-SJLPKXTDSA-N 1 3 332.492 1.800 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000333659207 286093337 /nfs/dbraw/zinc/09/33/37/286093337.db2.gz LHCUTDYPKDMWIX-YVSFHVDLSA-N 1 3 338.496 1.269 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333772916 286093555 /nfs/dbraw/zinc/09/35/55/286093555.db2.gz CILBRQQVIHETEI-LUKYLMHMSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@H]1C[NH3+] ZINC000416963687 304356027 /nfs/dbraw/zinc/35/60/27/304356027.db2.gz BLOUKFRRORGDHB-DOTOQJQBSA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416968512 304357144 /nfs/dbraw/zinc/35/71/44/304357144.db2.gz JHECJSRRACOYIK-SJORKVTESA-N 1 3 348.491 1.944 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000416974003 304358549 /nfs/dbraw/zinc/35/85/49/304358549.db2.gz KOLPRLLFBYYHHM-SFHVURJKSA-N 1 3 330.476 1.996 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417030990 304363005 /nfs/dbraw/zinc/36/30/05/304363005.db2.gz PXPYWTDNWOEZLA-MAUKXSAKSA-N 1 3 330.476 1.861 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417034572 304363593 /nfs/dbraw/zinc/36/35/93/304363593.db2.gz GCFJZVOCZFVHBT-IAGOWNOFSA-N 1 3 339.528 1.173 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417044377 304365676 /nfs/dbraw/zinc/36/56/76/304365676.db2.gz XXOSLELTOJAINX-KRWDZBQOSA-N 1 3 334.464 1.359 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000357972944 151216804 /nfs/dbraw/zinc/21/68/04/151216804.db2.gz KQEUFOCOCDBVCF-ZBFHGGJFSA-N 1 3 330.542 1.843 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000357972944 151216806 /nfs/dbraw/zinc/21/68/06/151216806.db2.gz KQEUFOCOCDBVCF-ZBFHGGJFSA-N 1 3 330.542 1.843 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000357995695 151227230 /nfs/dbraw/zinc/22/72/30/151227230.db2.gz VKXDELAVSBTRGL-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(CCOC)CC1 ZINC000357995695 151227234 /nfs/dbraw/zinc/22/72/34/151227234.db2.gz VKXDELAVSBTRGL-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358104460 151272266 /nfs/dbraw/zinc/27/22/66/151272266.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358104460 151272269 /nfs/dbraw/zinc/27/22/69/151272269.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122680 151279209 /nfs/dbraw/zinc/27/92/09/151279209.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 1 3 334.508 1.146 20 0 EDADHO C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122680 151279211 /nfs/dbraw/zinc/27/92/11/151279211.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 1 3 334.508 1.146 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000417119693 304374382 /nfs/dbraw/zinc/37/43/82/304374382.db2.gz UEEZWPLOYWFIDK-CABCVRRESA-N 1 3 340.537 1.740 20 0 EDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417120497 304374620 /nfs/dbraw/zinc/37/46/20/304374620.db2.gz VNVNJRBUDGBAEP-CABCVRRESA-N 1 3 340.537 1.727 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360413613 152028131 /nfs/dbraw/zinc/02/81/31/152028131.db2.gz MCUKPDXAUSANMB-GDBMZVCRSA-N 1 3 330.542 1.699 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360665313 152144101 /nfs/dbraw/zinc/14/41/01/152144101.db2.gz VTOPETRYYXOWEV-NVXWUHKLSA-N 1 3 342.553 1.987 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360665313 152144102 /nfs/dbraw/zinc/14/41/02/152144102.db2.gz VTOPETRYYXOWEV-NVXWUHKLSA-N 1 3 342.553 1.987 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000360749563 152185010 /nfs/dbraw/zinc/18/50/10/152185010.db2.gz ZLTGSRRWXHVDTN-KRWDZBQOSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863377 153078937 /nfs/dbraw/zinc/07/89/37/153078937.db2.gz UGJLQEIYZAFAKI-DNVCBOLYSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863377 153078940 /nfs/dbraw/zinc/07/89/40/153078940.db2.gz UGJLQEIYZAFAKI-DNVCBOLYSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000417193719 304383221 /nfs/dbraw/zinc/38/32/21/304383221.db2.gz LUQGWQZPGZWWGE-CGTJXYLNSA-N 1 3 332.492 1.847 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903912 286416408 /nfs/dbraw/zinc/41/64/08/286416408.db2.gz PFPHXVWSQNGCGY-KDOFPFPSSA-N 1 3 325.497 1.900 20 0 EDADHO CCCCOC(=O)[C@@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367623942 154204289 /nfs/dbraw/zinc/20/42/89/154204289.db2.gz SCURCJLFRINIDX-NVXWUHKLSA-N 1 3 325.497 1.819 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984091 154354553 /nfs/dbraw/zinc/35/45/53/154354553.db2.gz TWTSMGJLIYCDKI-PVAVHDDUSA-N 1 3 347.459 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000367984091 154354556 /nfs/dbraw/zinc/35/45/56/154354556.db2.gz TWTSMGJLIYCDKI-PVAVHDDUSA-N 1 3 347.459 1.294 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(Cc2cccnc2)CC1 ZINC000369659602 155122941 /nfs/dbraw/zinc/12/29/41/155122941.db2.gz VMDLMVNBVNRTLH-KRWDZBQOSA-N 1 3 342.487 1.894 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(Cc2cccnc2)CC1 ZINC000369659602 155122943 /nfs/dbraw/zinc/12/29/43/155122943.db2.gz VMDLMVNBVNRTLH-KRWDZBQOSA-N 1 3 342.487 1.894 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829452 156127598 /nfs/dbraw/zinc/12/75/98/156127598.db2.gz AXCBMEYYYPNWHL-SFHVURJKSA-N 1 3 347.507 1.925 20 0 EDADHO C[N@H+](CCCNC(=O)[C@@H]1CN2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327848 /nfs/dbraw/zinc/32/78/48/156327848.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO C[N@@H+](CCCNC(=O)[C@@H]1CN2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327852 /nfs/dbraw/zinc/32/78/52/156327852.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 1 3 330.476 1.015 20 0 EDADHO C[C@H](O)COC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373860782 157037182 /nfs/dbraw/zinc/03/71/82/157037182.db2.gz VFNOLFKATNUROB-HRCADAONSA-N 1 3 342.480 1.122 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]21 ZINC000374609716 157343799 /nfs/dbraw/zinc/34/37/99/157343799.db2.gz GSJUEIOOOXOVRE-GVDBMIGSSA-N 1 3 335.492 1.607 20 0 EDADHO C[C@H]1CN(CCC(=O)Nc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378309831 158135570 /nfs/dbraw/zinc/13/55/70/158135570.db2.gz BXUPDVFQPUUJFK-PKOBYXMFSA-N 1 3 344.503 1.973 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000378528707 158201403 /nfs/dbraw/zinc/20/14/03/158201403.db2.gz AMVNADBUEFSBCJ-QGZVFWFLSA-N 1 3 325.497 1.020 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000378528707 158201405 /nfs/dbraw/zinc/20/14/05/158201405.db2.gz AMVNADBUEFSBCJ-QGZVFWFLSA-N 1 3 325.497 1.020 20 0 EDADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000378528707 158201407 /nfs/dbraw/zinc/20/14/07/158201407.db2.gz AMVNADBUEFSBCJ-QGZVFWFLSA-N 1 3 325.497 1.020 20 0 EDADHO CS[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1N1CCCC1 ZINC000338817344 286719287 /nfs/dbraw/zinc/71/92/87/286719287.db2.gz YJDZPPCNRZNMGY-SJORKVTESA-N 1 3 337.533 1.899 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000364228048 162322191 /nfs/dbraw/zinc/32/21/91/162322191.db2.gz RFXKCGVIZRYACW-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000364228048 162322193 /nfs/dbraw/zinc/32/21/93/162322193.db2.gz RFXKCGVIZRYACW-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000073774635 287264655 /nfs/dbraw/zinc/26/46/55/287264655.db2.gz FNTDSUJMLKBRBX-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115371137 287344496 /nfs/dbraw/zinc/34/44/96/287344496.db2.gz RZFOILZBWJYKKX-SFHVURJKSA-N 1 3 333.476 1.642 20 0 EDADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000121081086 287367776 /nfs/dbraw/zinc/36/77/76/287367776.db2.gz KQHUZRGVQXXMTI-INIZCTEOSA-N 1 3 334.464 1.563 20 0 EDADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000168092738 226208352 /nfs/dbraw/zinc/20/83/52/226208352.db2.gz WRDIUKUOZWKVGU-IBGZPJMESA-N 1 3 345.487 1.548 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663640405 452382873 /nfs/dbraw/zinc/38/28/73/452382873.db2.gz DTHFGYVDNTWWEK-INIZCTEOSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@](C[NH3+])(NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237585598 273011023 /nfs/dbraw/zinc/01/10/23/273011023.db2.gz WVHQIVRCYSXYIL-HXUWFJFHSA-N 1 3 344.503 1.832 20 0 EDADHO C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000274767955 268201965 /nfs/dbraw/zinc/20/19/65/268201965.db2.gz JEBKWCFNMMBXOI-LPHOPBHVSA-N 1 3 345.487 1.516 20 0 EDADHO COC(=O)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000103210756 272918754 /nfs/dbraw/zinc/91/87/54/272918754.db2.gz IZCPQTAOXHOMPK-UHFFFAOYSA-N 1 3 327.450 1.100 20 0 EDADHO CO[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000284519423 274231848 /nfs/dbraw/zinc/23/18/48/274231848.db2.gz WCGYQKXBCGQDSV-SFHVURJKSA-N 1 3 333.476 1.764 20 0 EDADHO CC[NH2+]CCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417020116 276265686 /nfs/dbraw/zinc/26/56/86/276265686.db2.gz MAMYUSRXWULEHR-SFHVURJKSA-N 1 3 347.507 1.274 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000262631388 277105100 /nfs/dbraw/zinc/10/51/00/277105100.db2.gz FHIWQGAXWAQRKQ-CEXWTWQISA-N 1 3 344.503 1.609 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904116 277222842 /nfs/dbraw/zinc/22/28/42/277222842.db2.gz PDWDLNLSOXEGHG-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000338477602 279198867 /nfs/dbraw/zinc/19/88/67/279198867.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 1 3 339.528 1.042 20 0 EDADHO CC[N@@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000338477602 279198871 /nfs/dbraw/zinc/19/88/71/279198871.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCC(NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)CC1 ZINC000348067755 279260949 /nfs/dbraw/zinc/26/09/49/279260949.db2.gz GEMOVYVFKQKKEF-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000344651926 279354061 /nfs/dbraw/zinc/35/40/61/279354061.db2.gz ZSODQQSLILXURC-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000344651926 279354065 /nfs/dbraw/zinc/35/40/65/279354065.db2.gz ZSODQQSLILXURC-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417750625 279361160 /nfs/dbraw/zinc/36/11/60/279361160.db2.gz NTQBXTGBJKFZLC-MRXNPFEDSA-N 1 3 339.528 1.221 20 0 EDADHO [NH3+][C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)C1CCOCC1 ZINC000261626866 279665842 /nfs/dbraw/zinc/66/58/42/279665842.db2.gz COSMDDKLPJROQK-OAHLLOKOSA-N 1 3 341.521 1.218 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)CCCO1 ZINC000418116600 288162591 /nfs/dbraw/zinc/16/25/91/288162591.db2.gz QOQOBYJNRJBYMV-WBVHZDCISA-N 1 3 334.464 1.487 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)CCCO1 ZINC000418116600 288162592 /nfs/dbraw/zinc/16/25/92/288162592.db2.gz QOQOBYJNRJBYMV-WBVHZDCISA-N 1 3 334.464 1.487 20 0 EDADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000287296308 288202851 /nfs/dbraw/zinc/20/28/51/288202851.db2.gz UDBOEJPQUGMBMV-DOTOQJQBSA-N 1 3 346.475 1.721 20 0 EDADHO O=C1NC2(CCCCC2)C(=O)N1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371109288 280283451 /nfs/dbraw/zinc/28/34/51/280283451.db2.gz VBIUJCTVUZEXAN-JKSUJKDBSA-N 1 3 348.491 1.848 20 0 EDADHO O=C1NC2(CCCCC2)C(=O)N1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371109288 280283455 /nfs/dbraw/zinc/28/34/55/280283455.db2.gz VBIUJCTVUZEXAN-JKSUJKDBSA-N 1 3 348.491 1.848 20 0 EDADHO CN1CC[NH+](CC2CCN(Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000291628507 289130684 /nfs/dbraw/zinc/13/06/84/289130684.db2.gz SCTPHYRBZNUATF-UHFFFAOYSA-N 1 3 328.464 1.417 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C[C@@H](C)O1 ZINC000363834552 296993392 /nfs/dbraw/zinc/99/33/92/296993392.db2.gz WGSUHYKPPNDTOH-GPMSIDNRSA-N 1 3 349.519 1.676 20 0 EDADHO COc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776778 295121680 /nfs/dbraw/zinc/12/16/80/295121680.db2.gz DLWJRPNDIZLTMP-FGTMMUONSA-N 1 3 334.460 1.993 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770622 295202356 /nfs/dbraw/zinc/20/23/56/295202356.db2.gz DQMIXTXJAUIBDX-KSZLIROESA-N 1 3 325.456 1.425 20 0 EDADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770622 295202358 /nfs/dbraw/zinc/20/23/58/295202358.db2.gz DQMIXTXJAUIBDX-KSZLIROESA-N 1 3 325.456 1.425 20 0 EDADHO COc1ccc([C@H](CNC(=O)C[C@H](C[NH3+])OC)N2CCCC2)cc1 ZINC000262819068 295241518 /nfs/dbraw/zinc/24/15/18/295241518.db2.gz GQIHKMIFLTUTHO-SJORKVTESA-N 1 3 335.448 1.312 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418631225 304521460 /nfs/dbraw/zinc/52/14/60/304521460.db2.gz XROMSVGXOWKYDU-QGZVFWFLSA-N 1 3 333.480 1.672 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418844039 304540282 /nfs/dbraw/zinc/54/02/82/304540282.db2.gz LDCLBCATUBOZCW-MRXNPFEDSA-N 1 3 346.475 1.182 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000344046916 298101710 /nfs/dbraw/zinc/10/17/10/298101710.db2.gz XZPIARMXNASZQN-KZNAEPCWSA-N 1 3 340.556 1.695 20 0 EDADHO C[C@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294737963 303141266 /nfs/dbraw/zinc/14/12/66/303141266.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@H](NCCN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737963 303141269 /nfs/dbraw/zinc/14/12/69/303141269.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@H](NCCN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737963 303141271 /nfs/dbraw/zinc/14/12/71/303141271.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 1 3 331.504 1.943 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000296349991 303312542 /nfs/dbraw/zinc/31/25/42/303312542.db2.gz IYUSYXPCTVIMOA-KRWDZBQOSA-N 1 3 346.519 1.828 20 0 EDADHO Clc1cc(CNCCN2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000414861479 447331637 /nfs/dbraw/zinc/33/16/37/447331637.db2.gz FUBRHFSCPOLCPX-UHFFFAOYSA-N 1 3 325.840 1.496 20 0 EDADHO COc1c(Br)cccc1CNCCN1CC[NH2+]CC1 ZINC000414865597 447334659 /nfs/dbraw/zinc/33/46/59/447334659.db2.gz DJZDUUGSWKHKJW-UHFFFAOYSA-N 1 3 328.254 1.453 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCN(Cc2ccccc2)CC1 ZINC000390549804 303849553 /nfs/dbraw/zinc/84/95/53/303849553.db2.gz JQQSPLRGAPFUJZ-VQTJNVASSA-N 1 3 330.520 1.911 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000414890645 447344733 /nfs/dbraw/zinc/34/47/33/447344733.db2.gz UNJKUJIIWWUXKU-INIZCTEOSA-N 1 3 336.436 1.127 20 0 EDADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414881416 447342243 /nfs/dbraw/zinc/34/22/43/447342243.db2.gz SFPAXHUNYCSOEP-CHWSQXEVSA-N 1 3 332.448 1.937 20 0 EDADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414881416 447342249 /nfs/dbraw/zinc/34/22/49/447342249.db2.gz SFPAXHUNYCSOEP-CHWSQXEVSA-N 1 3 332.448 1.937 20 0 EDADHO CC1(C)CCCN[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423417584 304895140 /nfs/dbraw/zinc/89/51/40/304895140.db2.gz GZZFUYSRTFODDD-MRXNPFEDSA-N 1 3 337.508 1.916 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424008616 304924913 /nfs/dbraw/zinc/92/49/13/304924913.db2.gz IMFJAVNVODMEJC-OKZBNKHCSA-N 1 3 327.403 1.649 20 0 EDADHO O=C(CC1CC[NH2+]CC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430679517 305062200 /nfs/dbraw/zinc/06/22/00/305062200.db2.gz MFESVHQOYZDJDI-UHFFFAOYSA-N 1 3 331.460 1.972 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[NH2+]CC2CC2)C1 ZINC000430878529 305066801 /nfs/dbraw/zinc/06/68/01/305066801.db2.gz JESRRUKRDYAKEN-MRXNPFEDSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000430942635 305069758 /nfs/dbraw/zinc/06/97/58/305069758.db2.gz MOAINXRKOHCPOO-YJBOKZPZSA-N 1 3 348.466 1.534 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431038761 305073574 /nfs/dbraw/zinc/07/35/74/305073574.db2.gz PGODCRVGCBGPFQ-UHFFFAOYSA-N 1 3 331.460 1.429 20 0 EDADHO CC[N@H+](CCNC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105965 /nfs/dbraw/zinc/10/59/65/305105965.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 1 3 328.501 1.517 20 0 EDADHO CC[N@@H+](CCNC(=O)NCCCN1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105966 /nfs/dbraw/zinc/10/59/66/305105966.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000433472221 305110525 /nfs/dbraw/zinc/11/05/25/305110525.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000433472221 305110526 /nfs/dbraw/zinc/11/05/26/305110526.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434522044 305123999 /nfs/dbraw/zinc/12/39/99/305123999.db2.gz FHXSBHWHIMQMJN-ROUUACIJSA-N 1 3 337.508 1.913 20 0 EDADHO NC(=O)NC(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692788 305145514 /nfs/dbraw/zinc/14/55/14/305145514.db2.gz KEDHZDUFJXRSLW-ZDUSSCGKSA-N 1 3 336.461 1.277 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241956 305154929 /nfs/dbraw/zinc/15/49/29/305154929.db2.gz UFNXCRJPUWYUNB-CYBMUJFWSA-N 1 3 332.423 1.984 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265454 305244956 /nfs/dbraw/zinc/24/49/56/305244956.db2.gz FONQNUXQRHLIET-FRQCXROJSA-N 1 3 337.508 1.709 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265454 305244957 /nfs/dbraw/zinc/24/49/57/305244957.db2.gz FONQNUXQRHLIET-FRQCXROJSA-N 1 3 337.508 1.709 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000444348190 305246362 /nfs/dbraw/zinc/24/63/62/305246362.db2.gz BBIKDZYIWLKCRJ-WCVJEAGWSA-N 1 3 325.497 1.551 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000444348190 305246363 /nfs/dbraw/zinc/24/63/63/305246363.db2.gz BBIKDZYIWLKCRJ-WCVJEAGWSA-N 1 3 325.497 1.551 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000444378303 305247728 /nfs/dbraw/zinc/24/77/28/305247728.db2.gz HJVBSJSGMCJLMQ-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000444378303 305247729 /nfs/dbraw/zinc/24/77/29/305247729.db2.gz HJVBSJSGMCJLMQ-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000446378955 305264121 /nfs/dbraw/zinc/26/41/21/305264121.db2.gz XZXOZWZLCGMXNQ-YZLZLFLDSA-N 1 3 349.519 1.996 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449345034 305312102 /nfs/dbraw/zinc/31/21/02/305312102.db2.gz UAYSHMGCOLVNSG-CRAIPNDOSA-N 1 3 349.475 1.115 20 0 EDADHO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000450129582 305325530 /nfs/dbraw/zinc/32/55/30/305325530.db2.gz AMZUDERFEPSNSH-MRXNPFEDSA-N 1 3 347.459 1.555 20 0 EDADHO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896827 306049337 /nfs/dbraw/zinc/04/93/37/306049337.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 1 3 343.471 1.390 20 0 EDADHO C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896827 306049338 /nfs/dbraw/zinc/04/93/38/306049338.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 1 3 343.471 1.390 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049955 306174489 /nfs/dbraw/zinc/17/44/89/306174489.db2.gz KPGMWMJTQLRTFY-LSDHHAIUSA-N 1 3 346.475 1.694 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ncoc3C)CC2)CC1 ZINC000553545559 306186415 /nfs/dbraw/zinc/18/64/15/306186415.db2.gz DHTBJBZBHQJVNC-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CSC[C@H]1CCCCO1 ZINC000556689987 306214103 /nfs/dbraw/zinc/21/41/03/306214103.db2.gz CBLRXSORQWIVID-OAHLLOKOSA-N 1 3 331.526 1.241 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)NC1CC[NH+](C2CCC2)CC1 ZINC000556768056 306217020 /nfs/dbraw/zinc/21/70/20/306217020.db2.gz KQOARZJDWTVBQR-KRWDZBQOSA-N 1 3 338.496 1.149 20 0 EDADHO CN(CCC[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000557133905 306224613 /nfs/dbraw/zinc/22/46/13/306224613.db2.gz FBZNCWQMYDKQQT-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCCN1CCO)C(C)C ZINC000458496182 447388680 /nfs/dbraw/zinc/38/86/80/447388680.db2.gz JKUVCHDNGSXXOZ-KRWDZBQOSA-N 1 3 342.528 1.641 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422184150 447392600 /nfs/dbraw/zinc/39/26/00/447392600.db2.gz XSCYFLVYLJSDMW-ZWKOTPCHSA-N 1 3 332.492 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000422184150 447392611 /nfs/dbraw/zinc/39/26/11/447392611.db2.gz XSCYFLVYLJSDMW-ZWKOTPCHSA-N 1 3 332.492 1.895 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000458568445 447415958 /nfs/dbraw/zinc/41/59/58/447415958.db2.gz JKRNDLNFELHUKN-JCYILVPMSA-N 1 3 340.512 1.253 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000458594254 447425389 /nfs/dbraw/zinc/42/53/89/447425389.db2.gz ZYIFNILNBNVFLV-JCYILVPMSA-N 1 3 340.512 1.253 20 0 EDADHO CCC(CC)N(CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102950310 441173183 /nfs/dbraw/zinc/17/31/83/441173183.db2.gz FIYYICDLDWVHLK-UHFFFAOYSA-N 1 3 325.497 1.866 20 0 EDADHO COc1ccc(CNCCN2CC[NH2+]CC2)cc1Br ZINC000020968562 441268255 /nfs/dbraw/zinc/26/82/55/441268255.db2.gz GUMOUJAHZBLTMD-UHFFFAOYSA-N 1 3 328.254 1.453 20 0 EDADHO C[C@@H]1C[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1C ZINC000158802758 441764887 /nfs/dbraw/zinc/76/48/87/441764887.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 1 3 346.519 1.820 20 0 EDADHO C[C@@H]1C[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[N@H+]1C ZINC000158802758 441764896 /nfs/dbraw/zinc/76/48/96/441764896.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 1 3 346.519 1.820 20 0 EDADHO C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000173528668 441780963 /nfs/dbraw/zinc/78/09/63/441780963.db2.gz SJONEWREYHVZND-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000120636646 442109824 /nfs/dbraw/zinc/10/98/24/442109824.db2.gz DXWVWKKAYGARMN-WMLDXEAASA-N 1 3 346.475 1.628 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000120636646 442109830 /nfs/dbraw/zinc/10/98/30/442109830.db2.gz DXWVWKKAYGARMN-WMLDXEAASA-N 1 3 346.475 1.628 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000166053465 442213469 /nfs/dbraw/zinc/21/34/69/442213469.db2.gz VPRPYHQOXBRMCW-RBSFLKMASA-N 1 3 348.495 1.299 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000167232390 442219966 /nfs/dbraw/zinc/21/99/66/442219966.db2.gz KOSNSVMTUWZCRZ-KRWDZBQOSA-N 1 3 335.448 1.012 20 0 EDADHO C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000153164997 442265107 /nfs/dbraw/zinc/26/51/07/442265107.db2.gz FINCNRAZXPWTEY-MSOLQXFVSA-N 1 3 346.475 1.015 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)[C@H](C)C1 ZINC000129642859 442326627 /nfs/dbraw/zinc/32/66/27/442326627.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)[C@H](C)C1 ZINC000129642859 442326629 /nfs/dbraw/zinc/32/66/29/442326629.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO O=C(CNC1CC1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000154680486 442352047 /nfs/dbraw/zinc/35/20/47/442352047.db2.gz HDEGHVWKNKVRIU-UHFFFAOYSA-N 1 3 328.460 1.909 20 0 EDADHO CC[N@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171982912 442395965 /nfs/dbraw/zinc/39/59/65/442395965.db2.gz JEMCDXWNSCTGPD-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO CC[N@@H+](C)CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000171982912 442395967 /nfs/dbraw/zinc/39/59/67/442395967.db2.gz JEMCDXWNSCTGPD-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000155755857 442424789 /nfs/dbraw/zinc/42/47/89/442424789.db2.gz ZAPZORFFSDZEFQ-NVXWUHKLSA-N 1 3 325.497 1.722 20 0 EDADHO COC(=O)[C@]1(C)CCN([C@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425155 /nfs/dbraw/zinc/42/51/55/442425155.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 1 3 340.464 1.535 20 0 EDADHO COC(=O)[C@]1(C)CCN([C@H](C)CC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425156 /nfs/dbraw/zinc/42/51/56/442425156.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 1 3 340.464 1.535 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCc4n[nH]cc43)CC2)CC1 ZINC000134074824 442449090 /nfs/dbraw/zinc/44/90/90/442449090.db2.gz IOWDVRFCZONOQW-INIZCTEOSA-N 1 3 345.491 1.504 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@@H](O)C3(C)C)CC2)CC1 ZINC000186693934 442593764 /nfs/dbraw/zinc/59/37/64/442593764.db2.gz RJEVYSQSUWKQIM-HZPDHXFCSA-N 1 3 338.496 1.004 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000173176377 442617170 /nfs/dbraw/zinc/61/71/70/442617170.db2.gz ALYGOZZBCJRJQR-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)N1CCN(CCCN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682547 /nfs/dbraw/zinc/68/25/47/442682547.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 1 3 340.556 1.181 20 0 EDADHO CC(C)N1CCN(CCCN2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682549 /nfs/dbraw/zinc/68/25/49/442682549.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 1 3 340.556 1.181 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182337917 442758697 /nfs/dbraw/zinc/75/86/97/442758697.db2.gz FMLZKEVUUGTKGP-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CN1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246816714 442815356 /nfs/dbraw/zinc/81/53/56/442815356.db2.gz SDKCLKKCKUGYCC-HZPDHXFCSA-N 1 3 338.496 1.128 20 0 EDADHO CO[C@@H]1CN(CCOCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780146 443016816 /nfs/dbraw/zinc/01/68/16/443016816.db2.gz LIPJKSTUGNDPAD-WNRNVDISSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CN(CCOCC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780146 443016820 /nfs/dbraw/zinc/01/68/20/443016820.db2.gz LIPJKSTUGNDPAD-WNRNVDISSA-N 1 3 328.497 1.717 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000261758655 443168282 /nfs/dbraw/zinc/16/82/82/443168282.db2.gz VNQJKUZIOFZNOG-LPHOPBHVSA-N 1 3 337.508 1.996 20 0 EDADHO CC[NH+]1CCC(NC(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000299447615 318903737 /nfs/dbraw/zinc/90/37/37/318903737.db2.gz SEFDZUHJOBUHLA-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000268958206 443159261 /nfs/dbraw/zinc/15/92/61/443159261.db2.gz DZJILDSFOKHFKN-UHFFFAOYSA-N 1 3 331.504 1.740 20 0 EDADHO COC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430645 319125557 /nfs/dbraw/zinc/12/55/57/319125557.db2.gz BSNRRKZYASRGKP-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000397531518 319135316 /nfs/dbraw/zinc/13/53/16/319135316.db2.gz ZRFUONUVIMSMOL-UHFFFAOYSA-N 1 3 341.496 1.869 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269252165 443251314 /nfs/dbraw/zinc/25/13/14/443251314.db2.gz HVXIBSDSFWPONH-NZSAHSFTSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269252165 443251317 /nfs/dbraw/zinc/25/13/17/443251317.db2.gz HVXIBSDSFWPONH-NZSAHSFTSA-N 1 3 345.487 1.876 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411689708 319196139 /nfs/dbraw/zinc/19/61/39/319196139.db2.gz GDZJZUYVVZQSIJ-AZUAARDMSA-N 1 3 344.503 1.622 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269257635 443253698 /nfs/dbraw/zinc/25/36/98/443253698.db2.gz UDNLIGQBFWQLPW-LJQANCHMSA-N 1 3 345.487 1.783 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCC[C@H]2CCF)(N2CCOCC2)CC1 ZINC000414202701 319318953 /nfs/dbraw/zinc/31/89/53/319318953.db2.gz UNFVLMSBUBMISW-IRXDYDNUSA-N 1 3 327.488 1.901 20 0 EDADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201867 319319171 /nfs/dbraw/zinc/31/91/71/319319171.db2.gz YIBAZZPCTRORMV-KBPBESRZSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201867 319319174 /nfs/dbraw/zinc/31/91/74/319319174.db2.gz YIBAZZPCTRORMV-KBPBESRZSA-N 1 3 325.478 1.717 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000414677282 319340095 /nfs/dbraw/zinc/34/00/95/319340095.db2.gz ITPFQZNRCDZOSU-OAHLLOKOSA-N 1 3 334.464 1.437 20 0 EDADHO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680638 319341143 /nfs/dbraw/zinc/34/11/43/319341143.db2.gz NHKAUEUEDOOSLO-HNNXBMFYSA-N 1 3 333.432 1.435 20 0 EDADHO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680638 319341146 /nfs/dbraw/zinc/34/11/46/319341146.db2.gz NHKAUEUEDOOSLO-HNNXBMFYSA-N 1 3 333.432 1.435 20 0 EDADHO COC(=O)c1cc(CN(C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684765 319342304 /nfs/dbraw/zinc/34/23/04/319342304.db2.gz WPEQVEXDQNKZIC-ZDUSSCGKSA-N 1 3 337.420 1.004 20 0 EDADHO CC(C)(C)[NH2+]CCN1CCN(CCCOCC(F)(F)F)CC1 ZINC000414688535 319342780 /nfs/dbraw/zinc/34/27/80/319342780.db2.gz JCILHVPJUABNAL-UHFFFAOYSA-N 1 3 325.419 1.961 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893129 319382545 /nfs/dbraw/zinc/38/25/45/319382545.db2.gz KAMXIXSXZVUDRL-CXAGYDPISA-N 1 3 332.448 1.251 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415893129 319382547 /nfs/dbraw/zinc/38/25/47/319382547.db2.gz KAMXIXSXZVUDRL-CXAGYDPISA-N 1 3 332.448 1.251 20 0 EDADHO C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)N(C)Cc1ccccc1 ZINC000266837726 443261976 /nfs/dbraw/zinc/26/19/76/443261976.db2.gz MLQXAHKTMATUSN-ZWKOTPCHSA-N 1 3 346.519 1.507 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417369887 319494924 /nfs/dbraw/zinc/49/49/24/319494924.db2.gz SUYOJPNHVKTAHB-OAHLLOKOSA-N 1 3 334.464 1.378 20 0 EDADHO CC(C)C(=O)NCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016068 319746268 /nfs/dbraw/zinc/74/62/68/319746268.db2.gz SGEYZYQYXYRQQP-VQIMIIECSA-N 1 3 331.460 1.994 20 0 EDADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccccc1-n1ccnn1 ZINC000286057678 443637086 /nfs/dbraw/zinc/63/70/86/443637086.db2.gz LGGRQBZJGBQAFY-HNNXBMFYSA-N 1 3 329.448 1.765 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740992 320203501 /nfs/dbraw/zinc/20/35/01/320203501.db2.gz IMTNYFBCZKXXQB-AEFFLSMTSA-N 1 3 328.460 1.019 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724561 320333568 /nfs/dbraw/zinc/33/35/68/320333568.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724561 320333569 /nfs/dbraw/zinc/33/35/69/320333569.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 1 3 340.512 1.395 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000458694036 320338630 /nfs/dbraw/zinc/33/86/30/320338630.db2.gz RNIIHCDFDCNKNF-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711231 320339204 /nfs/dbraw/zinc/33/92/04/320339204.db2.gz XCTXZKUBLWWLDC-IBGZPJMESA-N 1 3 334.508 1.988 20 0 EDADHO CN(C)C1(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)Cc2ccccc2C1 ZINC000280802213 443746168 /nfs/dbraw/zinc/74/61/68/443746168.db2.gz KWDHRNFSPFCUJM-YLJYHZDGSA-N 1 3 327.472 1.592 20 0 EDADHO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519044035 320462674 /nfs/dbraw/zinc/46/26/74/320462674.db2.gz XOZKSKGQALOFRK-YOEHRIQHSA-N 1 3 334.464 1.643 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc(OCCN(C)C)c1 ZINC000280825847 443752754 /nfs/dbraw/zinc/75/27/54/443752754.db2.gz KMRGWHKRWKHNNJ-SZMVWBNQSA-N 1 3 336.476 1.923 20 0 EDADHO COc1cccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)N(C)C)c1 ZINC000298638573 443825513 /nfs/dbraw/zinc/82/55/13/443825513.db2.gz FJGOCIFISICVDU-KRWDZBQOSA-N 1 3 334.464 1.645 20 0 EDADHO COc1cccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)N(C)C)c1 ZINC000298638573 443825515 /nfs/dbraw/zinc/82/55/15/443825515.db2.gz FJGOCIFISICVDU-KRWDZBQOSA-N 1 3 334.464 1.645 20 0 EDADHO COc1cc(CN2CC[C@@](C)(O)C2)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751622 443834628 /nfs/dbraw/zinc/83/46/28/443834628.db2.gz WWPRYVSIJVRHCU-RTBURBONSA-N 1 3 334.460 1.609 20 0 EDADHO COc1cc(CN2CC[C@@](C)(O)C2)cc(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751622 443834633 /nfs/dbraw/zinc/83/46/33/443834633.db2.gz WWPRYVSIJVRHCU-RTBURBONSA-N 1 3 334.460 1.609 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288638251 443941386 /nfs/dbraw/zinc/94/13/86/443941386.db2.gz XFAXETGWTANUQA-INIZCTEOSA-N 1 3 349.475 1.204 20 0 EDADHO Cc1cnc([C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000546043591 320808156 /nfs/dbraw/zinc/80/81/56/320808156.db2.gz BYOQNMNEEUGBPX-ZDUSSCGKSA-N 1 3 341.525 1.690 20 0 EDADHO Cn1ncc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000293657051 444082496 /nfs/dbraw/zinc/08/24/96/444082496.db2.gz SXFHOJWBCXNHFU-UHFFFAOYSA-N 1 3 342.491 1.503 20 0 EDADHO CN1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214893 321036368 /nfs/dbraw/zinc/03/63/68/321036368.db2.gz DYTFBIPDXUYSNN-MSOLQXFVSA-N 1 3 341.459 1.124 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H](C)CO)CC2)CC1 ZINC000561284339 321038854 /nfs/dbraw/zinc/03/88/54/321038854.db2.gz AZPYIAXMTUVSAF-LSDHHAIUSA-N 1 3 325.497 1.316 20 0 EDADHO CC[C@H]1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000561516933 321041896 /nfs/dbraw/zinc/04/18/96/321041896.db2.gz OHKGKLWSDGSOGC-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000563075145 321094055 /nfs/dbraw/zinc/09/40/55/321094055.db2.gz YHPXHRKZOHYTLO-KBXCAEBGSA-N 1 3 331.460 1.258 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361179 321183434 /nfs/dbraw/zinc/18/34/34/321183434.db2.gz IEMDSFBNSIMPKT-CLCXKQKWSA-N 1 3 335.492 1.511 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000565765725 321199800 /nfs/dbraw/zinc/19/98/00/321199800.db2.gz IGVPFSNYGQJOIA-KRWDZBQOSA-N 1 3 330.476 1.905 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000566089066 321214246 /nfs/dbraw/zinc/21/42/46/321214246.db2.gz IWERTNRSMSUWCW-NQYYFHDYSA-N 1 3 333.476 1.229 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000566107551 321215818 /nfs/dbraw/zinc/21/58/18/321215818.db2.gz MZCHNVXVWNFQCA-CRAIPNDOSA-N 1 3 349.475 1.706 20 0 EDADHO CC[C@H](C)[C@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566443440 321231259 /nfs/dbraw/zinc/23/12/59/321231259.db2.gz SJUROMAEVXGGJS-MAUKXSAKSA-N 1 3 339.524 1.706 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569318999 321324044 /nfs/dbraw/zinc/32/40/44/321324044.db2.gz OOUZIPKXJZDKDK-DLBZAZTESA-N 1 3 331.460 1.585 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569318999 321324046 /nfs/dbraw/zinc/32/40/46/321324046.db2.gz OOUZIPKXJZDKDK-DLBZAZTESA-N 1 3 331.460 1.585 20 0 EDADHO OCCN1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472528 321326658 /nfs/dbraw/zinc/32/66/58/321326658.db2.gz ASDMJMDIONMKDS-YVWKXTFCSA-N 1 3 345.487 1.679 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCOCC1 ZINC000570025775 321334505 /nfs/dbraw/zinc/33/45/05/321334505.db2.gz ICDFKZKODIDNMU-GOSISDBHSA-N 1 3 339.524 1.578 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000571093210 321370744 /nfs/dbraw/zinc/37/07/44/321370744.db2.gz HTUKZGCQOGQDSD-HDICACEKSA-N 1 3 330.476 1.178 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C[C@@H](C[NH3+])OC)c(C)c2)CC1 ZINC000278185944 444112818 /nfs/dbraw/zinc/11/28/18/444112818.db2.gz DUGKGYCZGRWNLU-INIZCTEOSA-N 1 3 334.464 1.439 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(C(N)=O)c1 ZINC000289519557 444163537 /nfs/dbraw/zinc/16/35/37/444163537.db2.gz VIWZUOITVRLNKQ-GOSISDBHSA-N 1 3 332.492 1.633 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(C(N)=O)c1 ZINC000289519557 444163539 /nfs/dbraw/zinc/16/35/39/444163539.db2.gz VIWZUOITVRLNKQ-GOSISDBHSA-N 1 3 332.492 1.633 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738528 444196836 /nfs/dbraw/zinc/19/68/36/444196836.db2.gz GZAVFCLIULMSHU-HOCLYGCPSA-N 1 3 335.448 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000289738528 444196838 /nfs/dbraw/zinc/19/68/38/444196838.db2.gz GZAVFCLIULMSHU-HOCLYGCPSA-N 1 3 335.448 1.294 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290273695 444261845 /nfs/dbraw/zinc/26/18/45/444261845.db2.gz FIDUUSICJUJRJR-OAHLLOKOSA-N 1 3 348.491 1.840 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290273695 444261847 /nfs/dbraw/zinc/26/18/47/444261847.db2.gz FIDUUSICJUJRJR-OAHLLOKOSA-N 1 3 348.491 1.840 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000580539107 322063491 /nfs/dbraw/zinc/06/34/91/322063491.db2.gz JHLJTUUBFVUNMY-UHFFFAOYSA-N 1 3 334.464 1.426 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000581734664 322215798 /nfs/dbraw/zinc/21/57/98/322215798.db2.gz SQDNFCOBIVJDJU-QGZVFWFLSA-N 1 3 348.535 1.536 20 0 EDADHO CC[NH+](CC)CCOC1CCN([C@@H](C)CN2CCOCC2)CC1 ZINC000340878972 444555982 /nfs/dbraw/zinc/55/59/82/444555982.db2.gz SYQNXTZTJPYEPJ-KRWDZBQOSA-N 1 3 327.513 1.530 20 0 EDADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)CN1CCN(C)CC1 ZINC000340848661 444541557 /nfs/dbraw/zinc/54/15/57/444541557.db2.gz IVSRAMQKPOVHDX-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341027691 444639994 /nfs/dbraw/zinc/63/99/94/444639994.db2.gz YVKRZVKZAGHJPC-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000342349521 444647602 /nfs/dbraw/zinc/64/76/02/444647602.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 1 3 334.508 1.842 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000342349521 444647606 /nfs/dbraw/zinc/64/76/06/444647606.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 1 3 334.508 1.842 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341120686 444683918 /nfs/dbraw/zinc/68/39/18/444683918.db2.gz KQPQENXAPBJWMU-GJZGRUSLSA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341120686 444683922 /nfs/dbraw/zinc/68/39/22/444683922.db2.gz KQPQENXAPBJWMU-GJZGRUSLSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344063324 444759809 /nfs/dbraw/zinc/75/98/09/444759809.db2.gz NKAWEBNFQKEGSY-KZNAEPCWSA-N 1 3 340.556 1.885 20 0 EDADHO CC[C@@H](C(=O)OC)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000338839612 444882812 /nfs/dbraw/zinc/88/28/12/444882812.db2.gz HMYPYLSEBRVDNI-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO CC[C@@H](C(=O)OC)C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000338839612 444882815 /nfs/dbraw/zinc/88/28/15/444882815.db2.gz HMYPYLSEBRVDNI-LSDHHAIUSA-N 1 3 327.469 1.060 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000343090102 445054009 /nfs/dbraw/zinc/05/40/09/445054009.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 1 3 330.476 1.560 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000343090102 445054012 /nfs/dbraw/zinc/05/40/12/445054012.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 1 3 330.476 1.560 20 0 EDADHO CN1CCC(O)(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000344557990 445058767 /nfs/dbraw/zinc/05/87/67/445058767.db2.gz WCGGLFOMZAMFDJ-SFHVURJKSA-N 1 3 334.460 1.791 20 0 EDADHO C[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1CC1 ZINC000341986426 445108301 /nfs/dbraw/zinc/10/83/01/445108301.db2.gz UUMALLXBKZKUJK-DZGCQCFKSA-N 1 3 340.512 1.068 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000343220416 445146260 /nfs/dbraw/zinc/14/62/60/445146260.db2.gz SDRNCIDOKMXYMK-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000345708534 445197011 /nfs/dbraw/zinc/19/70/11/445197011.db2.gz JHKIJTVFVITYIU-YUELXQCFSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000345708534 445197013 /nfs/dbraw/zinc/19/70/13/445197013.db2.gz JHKIJTVFVITYIU-YUELXQCFSA-N 1 3 325.403 1.996 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429553 445221430 /nfs/dbraw/zinc/22/14/30/445221430.db2.gz CDSAUPHTIBXJTO-HOTGVXAUSA-N 1 3 329.400 1.236 20 0 EDADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343575121 445247620 /nfs/dbraw/zinc/24/76/20/445247620.db2.gz HYIKVYWKTWSKFB-MAUKXSAKSA-N 1 3 336.480 1.276 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859147 445345176 /nfs/dbraw/zinc/34/51/76/445345176.db2.gz FQABABYACXFNJJ-HOTGVXAUSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523478 445424022 /nfs/dbraw/zinc/42/40/22/445424022.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 1 3 344.503 1.248 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523478 445424027 /nfs/dbraw/zinc/42/40/27/445424027.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 1 3 344.503 1.248 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)CCOC3CNC3)c2)CC1 ZINC000349001666 445472227 /nfs/dbraw/zinc/47/22/27/445472227.db2.gz OKGPFKSUROOQRX-UHFFFAOYSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000349032576 445482031 /nfs/dbraw/zinc/48/20/31/445482031.db2.gz XNXRNOFPCNXEIP-INIZCTEOSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557911 445438409 /nfs/dbraw/zinc/43/84/09/445438409.db2.gz DWCMYJITMXKHLK-QLFBSQMISA-N 1 3 349.479 1.106 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564107 445441691 /nfs/dbraw/zinc/44/16/91/445441691.db2.gz HLRMXIFTJVTORX-ZDUSSCGKSA-N 1 3 349.479 1.106 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000362725964 445520412 /nfs/dbraw/zinc/52/04/12/445520412.db2.gz RTZHUGOYVAKHDQ-LPHOPBHVSA-N 1 3 344.503 1.745 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000362725964 445520414 /nfs/dbraw/zinc/52/04/14/445520414.db2.gz RTZHUGOYVAKHDQ-LPHOPBHVSA-N 1 3 344.503 1.745 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000349060664 445491579 /nfs/dbraw/zinc/49/15/79/445491579.db2.gz VLLJJCFNULTYLM-RDJZCZTQSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CCOC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000349060664 445491585 /nfs/dbraw/zinc/49/15/85/445491585.db2.gz VLLJJCFNULTYLM-RDJZCZTQSA-N 1 3 331.460 1.534 20 0 EDADHO C[C@H](CO)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362677716 445494765 /nfs/dbraw/zinc/49/47/65/445494765.db2.gz UBOFQEACSAEGDC-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000352112374 445501114 /nfs/dbraw/zinc/50/11/14/445501114.db2.gz SOIJKKJRQCIBRU-LJQANCHMSA-N 1 3 347.459 1.927 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000353459222 445610642 /nfs/dbraw/zinc/61/06/42/445610642.db2.gz LLHPOAKNLFCDTJ-DLBZAZTESA-N 1 3 333.480 1.194 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356088439 445613440 /nfs/dbraw/zinc/61/34/40/445613440.db2.gz FRVYWNYVCTURMC-GOSISDBHSA-N 1 3 341.459 1.388 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878421 445593153 /nfs/dbraw/zinc/59/31/53/445593153.db2.gz VWTFWVHTTHVRKU-RDTXWAMCSA-N 1 3 331.460 1.780 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878421 445593156 /nfs/dbraw/zinc/59/31/56/445593156.db2.gz VWTFWVHTTHVRKU-RDTXWAMCSA-N 1 3 331.460 1.780 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000353424838 445595760 /nfs/dbraw/zinc/59/57/60/445595760.db2.gz GGXFSWZBSLRDRY-VQHPVUNQSA-N 1 3 325.497 1.626 20 0 EDADHO CN(C)CCN(C)C(=O)c1ccc(C(=O)N(C)CC[NH+](C)C)s1 ZINC000358542836 445643312 /nfs/dbraw/zinc/64/33/12/445643312.db2.gz QQSRUVVSAROYEV-UHFFFAOYSA-N 1 3 340.493 1.015 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363091339 445673453 /nfs/dbraw/zinc/67/34/53/445673453.db2.gz CARUGISSQPQOSZ-HOTGVXAUSA-N 1 3 347.459 1.220 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356217856 445680839 /nfs/dbraw/zinc/68/08/39/445680839.db2.gz DMILTYLKGKGVEK-IAGOWNOFSA-N 1 3 347.507 1.973 20 0 EDADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000353683661 445705206 /nfs/dbraw/zinc/70/52/06/445705206.db2.gz ZMOVIIBFCKZLSF-OALUTQOASA-N 1 3 343.475 1.803 20 0 EDADHO CC[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000353683661 445705210 /nfs/dbraw/zinc/70/52/10/445705210.db2.gz ZMOVIIBFCKZLSF-OALUTQOASA-N 1 3 343.475 1.803 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353688281 445707932 /nfs/dbraw/zinc/70/79/32/445707932.db2.gz WDQOZUPGUKIORH-CZUORRHYSA-N 1 3 325.403 1.868 20 0 EDADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000349903796 445717064 /nfs/dbraw/zinc/71/70/64/445717064.db2.gz BJYOJNMSMMXHMK-SQNIBIBYSA-N 1 3 327.513 1.120 20 0 EDADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000363224182 445730268 /nfs/dbraw/zinc/73/02/68/445730268.db2.gz RNVRAGBOGCGQHA-CGTJXYLNSA-N 1 3 332.492 1.994 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358708696 445732733 /nfs/dbraw/zinc/73/27/33/445732733.db2.gz QRCZMHGBDNFCIX-NVXWUHKLSA-N 1 3 326.485 1.007 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358708696 445732736 /nfs/dbraw/zinc/73/27/36/445732736.db2.gz QRCZMHGBDNFCIX-NVXWUHKLSA-N 1 3 326.485 1.007 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)N(CC)CC ZINC000353779815 445752907 /nfs/dbraw/zinc/75/29/07/445752907.db2.gz KKGPRXYTYBGBTP-ROUUACIJSA-N 1 3 338.540 1.735 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)N(CC)CC ZINC000353779815 445752909 /nfs/dbraw/zinc/75/29/09/445752909.db2.gz KKGPRXYTYBGBTP-ROUUACIJSA-N 1 3 338.540 1.735 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846562 445807409 /nfs/dbraw/zinc/80/74/09/445807409.db2.gz KTOGAEATZCUESB-RDJZCZTQSA-N 1 3 325.497 1.412 20 0 EDADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000354000373 445846150 /nfs/dbraw/zinc/84/61/50/445846150.db2.gz BHTNXASHQVODRX-MSOLQXFVSA-N 1 3 335.492 1.574 20 0 EDADHO COCC[C@@]1(C(=O)NCCCN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000361719046 445896571 /nfs/dbraw/zinc/89/65/71/445896571.db2.gz RMUOQPCKJREKLS-IBGZPJMESA-N 1 3 333.476 1.641 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359028386 445897188 /nfs/dbraw/zinc/89/71/88/445897188.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 1 3 328.501 1.515 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359028386 445897192 /nfs/dbraw/zinc/89/71/92/445897192.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 1 3 328.501 1.515 20 0 EDADHO [NH3+]CC1(CC(=O)N2CCCN(C3CCOCC3)CC2)CCCCC1 ZINC000364220505 445901909 /nfs/dbraw/zinc/90/19/09/445901909.db2.gz MLPWJMNNYXJYDR-UHFFFAOYSA-N 1 3 337.508 1.999 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000350988432 445967163 /nfs/dbraw/zinc/96/71/63/445967163.db2.gz KKJBGJJMESJHGT-CQSZACIVSA-N 1 3 328.526 1.597 20 0 EDADHO CC(C)[C@@H]1OCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000373004241 445968855 /nfs/dbraw/zinc/96/88/55/445968855.db2.gz BIIMRUARHSNHSA-MSOLQXFVSA-N 1 3 337.508 1.722 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012391 /nfs/dbraw/zinc/01/23/91/446012391.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 1 3 346.475 1.919 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012399 /nfs/dbraw/zinc/01/23/99/446012399.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 1 3 346.475 1.919 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000359266889 446104033 /nfs/dbraw/zinc/10/40/33/446104033.db2.gz UXOOJHDZNRLEAF-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000359266889 446104039 /nfs/dbraw/zinc/10/40/39/446104039.db2.gz UXOOJHDZNRLEAF-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO Cn1c2ccc(CN3CCC(OCC[NH+](C)C)CC3)cc2oc1=O ZINC000351511823 446115041 /nfs/dbraw/zinc/11/50/41/446115041.db2.gz XFEZIPULPLDNKQ-UHFFFAOYSA-N 1 3 333.432 1.674 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000359282898 446118096 /nfs/dbraw/zinc/11/80/96/446118096.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000359282898 446118098 /nfs/dbraw/zinc/11/80/98/446118098.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365275234 446120470 /nfs/dbraw/zinc/12/04/70/446120470.db2.gz NWLRPSGFVPJMQK-SJORKVTESA-N 1 3 335.492 1.573 20 0 EDADHO CN(C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365275234 446120474 /nfs/dbraw/zinc/12/04/74/446120474.db2.gz NWLRPSGFVPJMQK-SJORKVTESA-N 1 3 335.492 1.573 20 0 EDADHO COCC[NH2+]CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000366326166 446152651 /nfs/dbraw/zinc/15/26/51/446152651.db2.gz DRSBGDQYZLWSKM-WMLDXEAASA-N 1 3 339.867 1.685 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365626593 446279767 /nfs/dbraw/zinc/27/97/67/446279767.db2.gz XSJNRJLKDJXJHV-IRXDYDNUSA-N 1 3 346.475 1.513 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000365626593 446279769 /nfs/dbraw/zinc/27/97/69/446279769.db2.gz XSJNRJLKDJXJHV-IRXDYDNUSA-N 1 3 346.475 1.513 20 0 EDADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000370494979 446304642 /nfs/dbraw/zinc/30/46/42/446304642.db2.gz NPKWGYHFFFYSGK-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000359597566 446311321 /nfs/dbraw/zinc/31/13/21/446311321.db2.gz ZSMHRGDXDSJALQ-DBVUQKKJSA-N 1 3 347.503 1.998 20 0 EDADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000359597566 446311323 /nfs/dbraw/zinc/31/13/23/446311323.db2.gz ZSMHRGDXDSJALQ-DBVUQKKJSA-N 1 3 347.503 1.998 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccco1 ZINC000370577469 446338950 /nfs/dbraw/zinc/33/89/50/446338950.db2.gz HCYPFTKCVSZDPF-PMPSAXMXSA-N 1 3 335.448 1.488 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccco1 ZINC000370577469 446338954 /nfs/dbraw/zinc/33/89/54/446338954.db2.gz HCYPFTKCVSZDPF-PMPSAXMXSA-N 1 3 335.448 1.488 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490039 446355294 /nfs/dbraw/zinc/35/52/94/446355294.db2.gz GKNCKUWFSJCYMT-SZMVWBNQSA-N 1 3 348.491 1.827 20 0 EDADHO C[NH+]1CCC(CCNC(=O)NCCCNCc2cccnc2)CC1 ZINC000417504733 446357637 /nfs/dbraw/zinc/35/76/37/446357637.db2.gz NLQQAWXTEQFFBW-UHFFFAOYSA-N 1 3 333.480 1.592 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516594 446360784 /nfs/dbraw/zinc/36/07/84/446360784.db2.gz OBUFLGHXYJEEJI-ZWKOTPCHSA-N 1 3 348.491 1.747 20 0 EDADHO COC[C@@]1(CNC(=O)NCCN2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528716 446361883 /nfs/dbraw/zinc/36/18/83/446361883.db2.gz FNHKOYBARDSHCT-UXLLHSPISA-N 1 3 326.485 1.317 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000417563105 446365646 /nfs/dbraw/zinc/36/56/46/446365646.db2.gz CWCWPWWTZOPLJO-QGZVFWFLSA-N 1 3 347.507 1.101 20 0 EDADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380481 /nfs/dbraw/zinc/38/04/81/446380481.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 1 3 327.513 1.434 20 0 EDADHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000370774501 446431518 /nfs/dbraw/zinc/43/15/18/446431518.db2.gz RRVRKDBCYWBARK-VVLHAWIVSA-N 1 3 333.501 1.828 20 0 EDADHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000370774501 446431521 /nfs/dbraw/zinc/43/15/21/446431521.db2.gz RRVRKDBCYWBARK-VVLHAWIVSA-N 1 3 333.501 1.828 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000418132198 446442083 /nfs/dbraw/zinc/44/20/83/446442083.db2.gz DRHKMRUYFAZKBA-ROUUACIJSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H](NC[C@@H](CO)Cc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000423160761 446443588 /nfs/dbraw/zinc/44/35/88/446443588.db2.gz MZJSNPORYXOUCQ-PWSUYJOCSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)C1CNC1 ZINC000423160761 446443594 /nfs/dbraw/zinc/44/35/94/446443594.db2.gz MZJSNPORYXOUCQ-PWSUYJOCSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417972694 446403914 /nfs/dbraw/zinc/40/39/14/446403914.db2.gz BUPLKIZNGNUGQJ-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417986532 446408200 /nfs/dbraw/zinc/40/82/00/446408200.db2.gz QNYMOIUYSXIQQK-KBAYOESNSA-N 1 3 348.491 1.655 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000418004679 446412518 /nfs/dbraw/zinc/41/25/18/446412518.db2.gz ZVJATXFGTODJHH-RLFYNMQTSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000418004679 446412521 /nfs/dbraw/zinc/41/25/21/446412521.db2.gz ZVJATXFGTODJHH-RLFYNMQTSA-N 1 3 346.475 1.145 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000420291329 446454559 /nfs/dbraw/zinc/45/45/59/446454559.db2.gz KBOJWMFZNGPIOM-LBPRGKRZSA-N 1 3 343.830 1.645 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000420315348 446480790 /nfs/dbraw/zinc/48/07/90/446480790.db2.gz LXDGQIMFMMPGRM-QZTJIDSGSA-N 1 3 332.492 1.609 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN(C)CC1 ZINC000418196828 446455811 /nfs/dbraw/zinc/45/58/11/446455811.db2.gz IIYVRZLIGGXOOK-UONOGXRCSA-N 1 3 326.510 1.207 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228942 446459209 /nfs/dbraw/zinc/45/92/09/446459209.db2.gz GAJDFPPSWKJMOQ-AWEZNQCLSA-N 1 3 326.448 1.826 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475525 /nfs/dbraw/zinc/47/55/25/446475525.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 1 3 338.496 1.221 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475531 /nfs/dbraw/zinc/47/55/31/446475531.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 1 3 338.496 1.221 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418331541 446502595 /nfs/dbraw/zinc/50/25/95/446502595.db2.gz DTXMYUBKBPMREZ-KRWDZBQOSA-N 1 3 330.476 1.904 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423373011 446506647 /nfs/dbraw/zinc/50/66/47/446506647.db2.gz GSKPAYHCSOYMBC-DOTOQJQBSA-N 1 3 331.464 1.554 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330228 446498938 /nfs/dbraw/zinc/49/89/38/446498938.db2.gz ALCOYJFMLLRMHZ-HUUCEWRRSA-N 1 3 336.480 1.466 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533266 446559131 /nfs/dbraw/zinc/55/91/31/446559131.db2.gz QCHKNOJWEVQKCA-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533266 446559137 /nfs/dbraw/zinc/55/91/37/446559137.db2.gz QCHKNOJWEVQKCA-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000376474263 446518198 /nfs/dbraw/zinc/51/81/98/446518198.db2.gz WMMFHNKXDYMYJN-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375703 446520084 /nfs/dbraw/zinc/52/00/84/446520084.db2.gz HULLSRPOJDNNRF-IRXDYDNUSA-N 1 3 340.512 1.286 20 0 EDADHO c1ccc(-c2noc(CCCN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348856 446526082 /nfs/dbraw/zinc/52/60/82/446526082.db2.gz NAACGXFEBCCUFS-QGZVFWFLSA-N 1 3 341.459 1.649 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433163565 446541630 /nfs/dbraw/zinc/54/16/30/446541630.db2.gz YFNDXSVDEOUHGI-LJQANCHMSA-N 1 3 346.519 1.671 20 0 EDADHO COCCN(C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376631532 446616405 /nfs/dbraw/zinc/61/64/05/446616405.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN(C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376631532 446616409 /nfs/dbraw/zinc/61/64/09/446616409.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418535333 446583777 /nfs/dbraw/zinc/58/37/77/446583777.db2.gz DAAGUHVPFXQOJU-GOSISDBHSA-N 1 3 328.460 1.822 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418547569 446589290 /nfs/dbraw/zinc/58/92/90/446589290.db2.gz JFMHEURDPZKOGZ-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000418590742 446604817 /nfs/dbraw/zinc/60/48/17/446604817.db2.gz BSBMBZLUXQVLDA-NVXWUHKLSA-N 1 3 348.491 1.909 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000418590744 446604974 /nfs/dbraw/zinc/60/49/74/446604974.db2.gz BSBMBZLUXQVLDA-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](N2CC=CC2)C1 ZINC000418627289 446620528 /nfs/dbraw/zinc/62/05/28/446620528.db2.gz AQXLOKNRXVZITQ-AEFFLSMTSA-N 1 3 326.444 1.529 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418596276 446608272 /nfs/dbraw/zinc/60/82/72/446608272.db2.gz YJMGOCZJJCVYAR-APWZRJJASA-N 1 3 348.491 1.263 20 0 EDADHO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H](N2CC=CC2)C1 ZINC000418627295 446620080 /nfs/dbraw/zinc/62/00/80/446620080.db2.gz AQXLOKNRXVZITQ-WMZOPIPTSA-N 1 3 326.444 1.529 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418628296 446621521 /nfs/dbraw/zinc/62/15/21/446621521.db2.gz CKMATNOFAFQBCE-MAUKXSAKSA-N 1 3 330.476 1.857 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418628296 446621530 /nfs/dbraw/zinc/62/15/30/446621530.db2.gz CKMATNOFAFQBCE-MAUKXSAKSA-N 1 3 330.476 1.857 20 0 EDADHO CO[C@H]1C[C@@H](N(C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000376643692 446622810 /nfs/dbraw/zinc/62/28/10/446622810.db2.gz QKJUPLNUXOWJED-CALCHBBNSA-N 1 3 338.496 1.364 20 0 EDADHO CCC1CCC(N(CCO)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000411633842 446629879 /nfs/dbraw/zinc/62/98/79/446629879.db2.gz OKHCATMDNVHEIK-UHFFFAOYSA-N 1 3 339.524 1.850 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000376764318 446706514 /nfs/dbraw/zinc/70/65/14/446706514.db2.gz LEIIUXSHVSBWIX-KRWDZBQOSA-N 1 3 333.480 1.535 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376777653 446713167 /nfs/dbraw/zinc/71/31/67/446713167.db2.gz LLYNRYFCHJVSEI-IAGOWNOFSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000411814644 446679387 /nfs/dbraw/zinc/67/93/87/446679387.db2.gz DPLKFNWPQONVDV-MRXNPFEDSA-N 1 3 332.492 1.983 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423749708 446680615 /nfs/dbraw/zinc/68/06/15/446680615.db2.gz RYVMZOCMKVIJKU-INIZCTEOSA-N 1 3 325.497 1.855 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418872144 446764117 /nfs/dbraw/zinc/76/41/17/446764117.db2.gz WGIHRJJABVUNNQ-CABCVRRESA-N 1 3 340.512 1.103 20 0 EDADHO [NH3+]C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423935636 446786895 /nfs/dbraw/zinc/78/68/95/446786895.db2.gz ALECVEFOLFUSLE-LJQANCHMSA-N 1 3 344.503 1.832 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCCN1C ZINC000412254838 446912533 /nfs/dbraw/zinc/91/25/33/446912533.db2.gz YRHKHUIUCDRNPO-VNQPRFMTSA-N 1 3 325.522 1.803 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419232810 447021178 /nfs/dbraw/zinc/02/11/78/447021178.db2.gz VFQDYXUIVUOVQZ-OAHLLOKOSA-N 1 3 338.496 1.001 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)NCCN2CCCC(C)(C)C2)n1 ZINC000444908640 447147931 /nfs/dbraw/zinc/14/79/31/447147931.db2.gz YNEQZUDKWOQDTF-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000375937107 447162071 /nfs/dbraw/zinc/16/20/71/447162071.db2.gz DMDSFAMSHPCJFS-IIDMSEBBSA-N 1 3 330.476 1.796 20 0 EDADHO CCN1CCC[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639339 447202561 /nfs/dbraw/zinc/20/25/61/447202561.db2.gz JQDHGVBIXCLSDA-KRWDZBQOSA-N 1 3 333.480 1.583 20 0 EDADHO CCC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368930712 447208876 /nfs/dbraw/zinc/20/88/76/447208876.db2.gz GEVJRBMWCOGUEK-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CCC[N@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000368930712 447208881 /nfs/dbraw/zinc/20/88/81/447208881.db2.gz GEVJRBMWCOGUEK-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CN(Cc1cc(C(N)=O)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377624992 447253142 /nfs/dbraw/zinc/25/31/42/447253142.db2.gz KEOHSQIKGUJJDU-OAHLLOKOSA-N 1 3 336.505 1.447 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379660738 447452931 /nfs/dbraw/zinc/45/29/31/447452931.db2.gz CWMOKTPZFHYZGK-AEFFLSMTSA-N 1 3 345.487 1.924 20 0 EDADHO O=C(CC[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000494640432 447454294 /nfs/dbraw/zinc/45/42/94/447454294.db2.gz AWSIWYBCQWMIEO-OAHLLOKOSA-N 1 3 325.522 1.996 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415470273 447462143 /nfs/dbraw/zinc/46/21/43/447462143.db2.gz YNFMZFJXNMQUJC-QGZVFWFLSA-N 1 3 346.475 1.711 20 0 EDADHO NC[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415472399 447464330 /nfs/dbraw/zinc/46/43/30/447464330.db2.gz WRNTVHKZRHNYGU-KRWDZBQOSA-N 1 3 344.459 1.213 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)NC1CC([NH+]2CCCCC2)C1 ZINC000458729148 447464863 /nfs/dbraw/zinc/46/48/63/447464863.db2.gz GRZJYTDWPKMDEK-CGZBRXJRSA-N 1 3 338.496 1.149 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931408 447488257 /nfs/dbraw/zinc/48/82/57/447488257.db2.gz LEAIMYLHOZEOBK-CRAIPNDOSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1CN(C[C@H](O)Cc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450640782 447546231 /nfs/dbraw/zinc/54/62/31/447546231.db2.gz GYXFBBGFSXMNAN-DFQSSKMNSA-N 1 3 331.504 1.548 20 0 EDADHO CC(C)CN1CCO[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459360107 447645728 /nfs/dbraw/zinc/64/57/28/447645728.db2.gz DZHILULFSWJRTB-LJQANCHMSA-N 1 3 332.492 1.997 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000459163408 447602059 /nfs/dbraw/zinc/60/20/59/447602059.db2.gz LABVKXVQYHFRPU-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000459163408 447602066 /nfs/dbraw/zinc/60/20/66/447602066.db2.gz LABVKXVQYHFRPU-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459243908 447620778 /nfs/dbraw/zinc/62/07/78/447620778.db2.gz AIPGPPSLANAPPI-QGZVFWFLSA-N 1 3 347.507 1.887 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459243908 447620784 /nfs/dbraw/zinc/62/07/84/447620784.db2.gz AIPGPPSLANAPPI-QGZVFWFLSA-N 1 3 347.507 1.887 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459262355 447625865 /nfs/dbraw/zinc/62/58/65/447625865.db2.gz LRFIFUMTPDPWBI-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459262355 447625872 /nfs/dbraw/zinc/62/58/72/447625872.db2.gz LRFIFUMTPDPWBI-DLBZAZTESA-N 1 3 340.512 1.110 20 0 EDADHO C[NH2+]CCCNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000416861894 447697563 /nfs/dbraw/zinc/69/75/63/447697563.db2.gz XKOKLLNLNNEKOZ-QGZVFWFLSA-N 1 3 334.464 1.741 20 0 EDADHO COC[C@]1(CNC(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875549 447700780 /nfs/dbraw/zinc/70/07/80/447700780.db2.gz RDWQPMDUXWDZLX-LJQANCHMSA-N 1 3 348.491 1.576 20 0 EDADHO O=C(C1CCC1)N1CCN(CCNC2CC[NH+](C3CC3)CC2)CC1 ZINC000459421443 447660416 /nfs/dbraw/zinc/66/04/16/447660416.db2.gz ZEBGKNOTAAISJG-UHFFFAOYSA-N 1 3 334.508 1.147 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000422699431 447719820 /nfs/dbraw/zinc/71/98/20/447719820.db2.gz AMVQRVAYHHLZAU-KRWDZBQOSA-N 1 3 344.463 1.440 20 0 EDADHO C[C@H](C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000422716463 447726765 /nfs/dbraw/zinc/72/67/65/447726765.db2.gz NEXOSPLDLAKXNC-HOJAQTOUSA-N 1 3 330.520 1.953 20 0 EDADHO N[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733857 447733316 /nfs/dbraw/zinc/73/33/16/447733316.db2.gz RTRZLQZJGXCPHJ-QWHCGFSZSA-N 1 3 326.238 1.648 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422841756 447767039 /nfs/dbraw/zinc/76/70/39/447767039.db2.gz DKCGKJXNJGJPFJ-FUHWJXTLSA-N 1 3 338.540 1.877 20 0 EDADHO C[C@H](C[C@H](C)N)[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000422959806 447781334 /nfs/dbraw/zinc/78/13/34/447781334.db2.gz UOUCJBRAXNZMGM-IYOUNJFTSA-N 1 3 347.459 1.533 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1C ZINC000430795740 447786171 /nfs/dbraw/zinc/78/61/71/447786171.db2.gz HUVKRABTWAIHAE-HIFRSBDPSA-N 1 3 334.468 1.147 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985539 447787689 /nfs/dbraw/zinc/78/76/89/447787689.db2.gz FFFLQKOMOLIPMT-CJNGLKHVSA-N 1 3 338.423 1.770 20 0 EDADHO CN(CCN[C@@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998350 447789482 /nfs/dbraw/zinc/78/94/82/447789482.db2.gz PYLVPQFGRVYCMJ-QWHCGFSZSA-N 1 3 331.507 1.476 20 0 EDADHO C[C@@H](NC(=O)NCCOCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000471646230 447806306 /nfs/dbraw/zinc/80/63/06/447806306.db2.gz KTMKCGTVUNAKNT-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H](NC(=O)NCCOCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000471646230 447806309 /nfs/dbraw/zinc/80/63/09/447806309.db2.gz KTMKCGTVUNAKNT-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663969 447844030 /nfs/dbraw/zinc/84/40/30/447844030.db2.gz YBIWNVWURWFVBI-PBHICJAKSA-N 1 3 329.485 1.536 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496663969 447844033 /nfs/dbraw/zinc/84/40/33/447844033.db2.gz YBIWNVWURWFVBI-PBHICJAKSA-N 1 3 329.485 1.536 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000486752688 447825912 /nfs/dbraw/zinc/82/59/12/447825912.db2.gz MUKTWAVXCMNRDH-XYJFISCASA-N 1 3 336.480 1.180 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000575812507 447904299 /nfs/dbraw/zinc/90/42/99/447904299.db2.gz MBAOSHMITNPVIG-RBUKOAKNSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@H]1C[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000491447352 448030913 /nfs/dbraw/zinc/03/09/13/448030913.db2.gz OIPZEBMOGARSOJ-UONOGXRCSA-N 1 3 334.468 1.754 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298319 448058142 /nfs/dbraw/zinc/05/81/42/448058142.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 1 3 345.487 1.565 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000531298319 448058149 /nfs/dbraw/zinc/05/81/49/448058149.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 1 3 345.487 1.565 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000571147011 448109955 /nfs/dbraw/zinc/10/99/55/448109955.db2.gz PHOQTQSCRJQFQA-ZFWWWQNUSA-N 1 3 334.468 1.789 20 0 EDADHO CC(C)C[C@@H](CNC[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982022 448095325 /nfs/dbraw/zinc/09/53/25/448095325.db2.gz VXHHANKXGSWFQN-WMLDXEAASA-N 1 3 329.485 1.582 20 0 EDADHO CC(C)C[C@@H](CNC[C@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982022 448095328 /nfs/dbraw/zinc/09/53/28/448095328.db2.gz VXHHANKXGSWFQN-WMLDXEAASA-N 1 3 329.485 1.582 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000576688027 448114170 /nfs/dbraw/zinc/11/41/70/448114170.db2.gz MRJBRQPCFJPABC-YJBOKZPZSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc1 ZINC000571163569 448114833 /nfs/dbraw/zinc/11/48/33/448114833.db2.gz ZQSQYZSYENGHCS-HUUCEWRRSA-N 1 3 346.475 1.427 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000527114272 448162126 /nfs/dbraw/zinc/16/21/26/448162126.db2.gz NVGMZTQCXSCCPT-HXUWFJFHSA-N 1 3 345.487 1.566 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532089182 448199339 /nfs/dbraw/zinc/19/93/39/448199339.db2.gz ZDOUJOLWTGDBIV-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532089182 448199343 /nfs/dbraw/zinc/19/93/43/448199343.db2.gz ZDOUJOLWTGDBIV-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000514932926 448227441 /nfs/dbraw/zinc/22/74/41/448227441.db2.gz NRLBUZVISCYQKH-KDOFPFPSSA-N 1 3 332.444 1.869 20 0 EDADHO Cc1ccc(NC(=O)CCNCCC[N@@H+]2CCCO[C@H](C)C2)nc1 ZINC000577484083 448308460 /nfs/dbraw/zinc/30/84/60/448308460.db2.gz MJFBVZRIIHMVHY-MRXNPFEDSA-N 1 3 334.464 1.809 20 0 EDADHO Cc1ccc(NC(=O)CCNCCC[N@H+]2CCCO[C@H](C)C2)nc1 ZINC000577484083 448308463 /nfs/dbraw/zinc/30/84/63/448308463.db2.gz MJFBVZRIIHMVHY-MRXNPFEDSA-N 1 3 334.464 1.809 20 0 EDADHO CC[C@H]1CN(C(=O)NCC2(SC)CCN(C)CC2)CC[C@H]1[NH3+] ZINC000591358451 448341181 /nfs/dbraw/zinc/34/11/81/448341181.db2.gz OLQATNMWSKFBMH-UONOGXRCSA-N 1 3 328.526 1.583 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577720840 448367789 /nfs/dbraw/zinc/36/77/89/448367789.db2.gz SYTIZZIHKRHYCC-CQSZACIVSA-N 1 3 344.459 1.071 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000577720840 448367794 /nfs/dbraw/zinc/36/77/94/448367794.db2.gz SYTIZZIHKRHYCC-CQSZACIVSA-N 1 3 344.459 1.071 20 0 EDADHO CN(CCN1CCCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000565810449 448380507 /nfs/dbraw/zinc/38/05/07/448380507.db2.gz JXOJOTGBNQAAOI-UHFFFAOYSA-N 1 3 334.468 1.709 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647609 448431933 /nfs/dbraw/zinc/43/19/33/448431933.db2.gz UCPAGDTZSLLMNF-KZNAEPCWSA-N 1 3 349.475 1.189 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C)C[C@@H]1CN ZINC000566551018 448505087 /nfs/dbraw/zinc/50/50/87/448505087.db2.gz UFRKFRWNNSTNML-SFHVURJKSA-N 1 3 347.507 1.313 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cn[nH]c3)CC2)CC1 ZINC000573019502 448525752 /nfs/dbraw/zinc/52/57/52/448525752.db2.gz ZHLLFCVSAYAUBR-UHFFFAOYSA-N 1 3 333.480 1.265 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000584458715 448533211 /nfs/dbraw/zinc/53/32/11/448533211.db2.gz DSAWSKFKGTZIOB-FUHWJXTLSA-N 1 3 346.475 1.520 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CCNC2 ZINC000573306661 448592600 /nfs/dbraw/zinc/59/26/00/448592600.db2.gz BDUSARLKPJYENG-HNNXBMFYSA-N 1 3 334.464 1.811 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)cc1 ZINC000578642562 448602727 /nfs/dbraw/zinc/60/27/27/448602727.db2.gz QOANNGOWCFEVMD-RDTXWAMCSA-N 1 3 332.444 1.869 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573582688 448665780 /nfs/dbraw/zinc/66/57/80/448665780.db2.gz JRBWZCCMJJTEIH-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000579225346 448743895 /nfs/dbraw/zinc/74/38/95/448743895.db2.gz AOEOHBHTVOKIKB-OAHLLOKOSA-N 1 3 340.512 1.151 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567764307 448755162 /nfs/dbraw/zinc/75/51/62/448755162.db2.gz WENLGSFZHYMDHM-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567764307 448755165 /nfs/dbraw/zinc/75/51/65/448755165.db2.gz WENLGSFZHYMDHM-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO CC[C@@H]1CN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C[C@H]1O ZINC000574052295 448780724 /nfs/dbraw/zinc/78/07/24/448780724.db2.gz ZTWICSZZDKMIIL-CRAIPNDOSA-N 1 3 337.508 1.412 20 0 EDADHO CCNc1nc(NCC2CC[NH+](C3CC3)CC2)nc(NC(C)(C)C)n1 ZINC000568097178 448816108 /nfs/dbraw/zinc/81/61/08/448816108.db2.gz NYDVTJRTWCJBJR-UHFFFAOYSA-N 1 3 347.511 1.644 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000546042433 448818632 /nfs/dbraw/zinc/81/86/32/448818632.db2.gz OAWQJDNWMNZGHV-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CN1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322945 448823538 /nfs/dbraw/zinc/82/35/38/448823538.db2.gz RXTKTJYOBXCUBY-HZPDHXFCSA-N 1 3 332.448 1.239 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccccc1 ZINC000520203838 448871475 /nfs/dbraw/zinc/87/14/75/448871475.db2.gz GKVOFDIFYZNPGW-RRFJBIMHSA-N 1 3 338.402 1.728 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000520314017 448882658 /nfs/dbraw/zinc/88/26/58/448882658.db2.gz BCWLEMQBOPHRSA-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000520314017 448882662 /nfs/dbraw/zinc/88/26/62/448882662.db2.gz BCWLEMQBOPHRSA-IBGZPJMESA-N 1 3 344.503 1.262 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000574397119 448864032 /nfs/dbraw/zinc/86/40/32/448864032.db2.gz IYBIGHBXYHKFIN-UHFFFAOYSA-N 1 3 346.475 1.399 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC(F)(F)C1 ZINC000529604967 448904749 /nfs/dbraw/zinc/90/47/49/448904749.db2.gz IAGHQVOJKKEQDG-CQSZACIVSA-N 1 3 331.451 1.806 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763082 448918491 /nfs/dbraw/zinc/91/84/91/448918491.db2.gz CZTSHLDAFCGNNE-NVXWUHKLSA-N 1 3 348.466 1.676 20 0 EDADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000574803626 448959162 /nfs/dbraw/zinc/95/91/62/448959162.db2.gz OIOHMRQLMVVWFH-HNNXBMFYSA-N 1 3 333.480 1.509 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1CCN(C)C ZINC000574748704 448946550 /nfs/dbraw/zinc/94/65/50/448946550.db2.gz RGLDHEGVXLWYFE-CABCVRRESA-N 1 3 334.468 1.535 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1CCN(C)C ZINC000574748704 448946552 /nfs/dbraw/zinc/94/65/52/448946552.db2.gz RGLDHEGVXLWYFE-CABCVRRESA-N 1 3 334.468 1.535 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]3CN3CCCC3)c21 ZINC000592957041 449077653 /nfs/dbraw/zinc/07/76/53/449077653.db2.gz LFSKVDVUIZNLOE-CABCVRRESA-N 1 3 331.464 1.420 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959754 449083547 /nfs/dbraw/zinc/08/35/47/449083547.db2.gz PQMDMZSDEUAORY-IMJJTQAJSA-N 1 3 331.464 1.418 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000592898609 449042851 /nfs/dbraw/zinc/04/28/51/449042851.db2.gz JKBPJGHSTGNASZ-UHFFFAOYSA-N 1 3 343.537 1.385 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231734 449089561 /nfs/dbraw/zinc/08/95/61/449089561.db2.gz LHKCUKTTXKASPN-SFHVURJKSA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@@H](CN)C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1 ZINC000530231734 449089567 /nfs/dbraw/zinc/08/95/67/449089567.db2.gz LHKCUKTTXKASPN-SFHVURJKSA-N 1 3 347.503 1.924 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945317 449271323 /nfs/dbraw/zinc/27/13/23/449271323.db2.gz LHQKAPJMZNLIPP-DLBZAZTESA-N 1 3 335.517 1.842 20 0 EDADHO CSCC[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945317 449271326 /nfs/dbraw/zinc/27/13/26/449271326.db2.gz LHQKAPJMZNLIPP-DLBZAZTESA-N 1 3 335.517 1.842 20 0 EDADHO CN1CCC(O)(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000607234380 449588528 /nfs/dbraw/zinc/58/85/28/449588528.db2.gz RXJOENBMQYJOOQ-UHFFFAOYSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617506410 449652048 /nfs/dbraw/zinc/65/20/48/449652048.db2.gz MKEAFSDVFDREHX-AWEZNQCLSA-N 1 3 349.450 1.990 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1=Cc2cc(F)ccc2OC1 ZINC000617506410 449652053 /nfs/dbraw/zinc/65/20/53/449652053.db2.gz MKEAFSDVFDREHX-AWEZNQCLSA-N 1 3 349.450 1.990 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cccn2)n1 ZINC000617505732 449652077 /nfs/dbraw/zinc/65/20/77/449652077.db2.gz NWIHMJJRYUMDNZ-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(-n2cccn2)n1 ZINC000617505732 449652079 /nfs/dbraw/zinc/65/20/79/449652079.db2.gz NWIHMJJRYUMDNZ-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617506674 449657412 /nfs/dbraw/zinc/65/74/12/449657412.db2.gz VUPBAOSVPVOFJH-JENIJYKNSA-N 1 3 349.519 1.848 20 0 EDADHO Cc1ccc([C@H](C)[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617506674 449657415 /nfs/dbraw/zinc/65/74/15/449657415.db2.gz VUPBAOSVPVOFJH-JENIJYKNSA-N 1 3 349.519 1.848 20 0 EDADHO CCOC(=O)c1ccc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)[nH]1 ZINC000602540620 449662163 /nfs/dbraw/zinc/66/21/63/449662163.db2.gz LSFISISZYILJMO-OAHLLOKOSA-N 1 3 336.480 1.555 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000617502515 449643976 /nfs/dbraw/zinc/64/39/76/449643976.db2.gz RWSWEFTZCYSPGQ-QXAKKESOSA-N 1 3 347.503 1.805 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000617502515 449643980 /nfs/dbraw/zinc/64/39/80/449643980.db2.gz RWSWEFTZCYSPGQ-QXAKKESOSA-N 1 3 347.503 1.805 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1ccco1 ZINC000617503366 449645965 /nfs/dbraw/zinc/64/59/65/449645965.db2.gz GKKMXJMIXBPBKY-AWEZNQCLSA-N 1 3 347.463 1.682 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1ccco1 ZINC000617503366 449645969 /nfs/dbraw/zinc/64/59/69/449645969.db2.gz GKKMXJMIXBPBKY-AWEZNQCLSA-N 1 3 347.463 1.682 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000612861667 449914087 /nfs/dbraw/zinc/91/40/87/449914087.db2.gz AAVVIYDPCFTRCR-PKOBYXMFSA-N 1 3 346.475 1.883 20 0 EDADHO COC(=O)[C@H]1CCCN(C/C=C\C[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000610393924 450205177 /nfs/dbraw/zinc/20/51/77/450205177.db2.gz JBYUFFSBZMMVJS-HFZJXRFXSA-N 1 3 338.448 1.313 20 0 EDADHO COC(=O)[C@H]1CCCN(C/C=C\C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000610393924 450205183 /nfs/dbraw/zinc/20/51/83/450205183.db2.gz JBYUFFSBZMMVJS-HFZJXRFXSA-N 1 3 338.448 1.313 20 0 EDADHO CC(C)[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000629553886 450733629 /nfs/dbraw/zinc/73/36/29/450733629.db2.gz DCMLWQRQZDQGAU-QZTJIDSGSA-N 1 3 332.492 1.335 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H]([NH2+]C[C@H](O)CN3CCCC3)C2)c1 ZINC000629565926 450739439 /nfs/dbraw/zinc/73/94/39/450739439.db2.gz QSNQKNKSLCFISP-RDJZCZTQSA-N 1 3 349.475 1.329 20 0 EDADHO CC[C@@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)N(C)C ZINC000629613454 450762099 /nfs/dbraw/zinc/76/20/99/450762099.db2.gz ARVFBKZSSVMCGJ-KRWDZBQOSA-N 1 3 332.492 1.436 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000624357149 450806794 /nfs/dbraw/zinc/80/67/94/450806794.db2.gz HKXADMBZDCZOFT-GOSISDBHSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000624357149 450806798 /nfs/dbraw/zinc/80/67/98/450806798.db2.gz HKXADMBZDCZOFT-GOSISDBHSA-N 1 3 345.491 1.687 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621653194 450817032 /nfs/dbraw/zinc/81/70/32/450817032.db2.gz ROEZMJDVBAZXAJ-OAHLLOKOSA-N 1 3 331.464 1.552 20 0 EDADHO CN(C)CCCS(=O)(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000631931532 450890320 /nfs/dbraw/zinc/89/03/20/450890320.db2.gz KSOYTWDVEVDFBL-KRWDZBQOSA-N 1 3 335.473 1.711 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])N(C)C)cc1 ZINC000626921493 451004599 /nfs/dbraw/zinc/00/45/99/451004599.db2.gz BOMJHUDRWWXVAM-KRWDZBQOSA-N 1 3 336.480 1.468 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626945203 451024422 /nfs/dbraw/zinc/02/44/22/451024422.db2.gz RZVCYJIYWUDVLJ-RLLQIKCJSA-N 1 3 344.503 1.800 20 0 EDADHO C[NH+](C)CC1CCC(NS(=O)(=O)CCCN2CCCC2)CC1 ZINC000632132331 451060543 /nfs/dbraw/zinc/06/05/43/451060543.db2.gz LPASCLBJIYCESW-UHFFFAOYSA-N 1 3 331.526 1.512 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CN1Cc1ccccc1 ZINC000626998403 451064286 /nfs/dbraw/zinc/06/42/86/451064286.db2.gz MNMKFBGFEXWCMU-NVXWUHKLSA-N 1 3 334.464 1.314 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000627012415 451077478 /nfs/dbraw/zinc/07/74/78/451077478.db2.gz AFPMQOXNMNGKGZ-RDJZCZTQSA-N 1 3 334.464 1.042 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000626978459 451047139 /nfs/dbraw/zinc/04/71/39/451047139.db2.gz DWAIDIGYMHCYEA-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982877 451050728 /nfs/dbraw/zinc/05/07/28/451050728.db2.gz VHTAIHPXAMFIQQ-MGPQQGTHSA-N 1 3 348.413 1.639 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000635631036 451121150 /nfs/dbraw/zinc/12/11/50/451121150.db2.gz PZPPVXZODWOCOE-LJQANCHMSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C[NH2+]1 ZINC000627113296 451129695 /nfs/dbraw/zinc/12/96/95/451129695.db2.gz VJLIDNPUVCPAPU-YJBOKZPZSA-N 1 3 345.491 1.733 20 0 EDADHO CC1CCC(N2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627212661 451190030 /nfs/dbraw/zinc/19/00/30/451190030.db2.gz PFQQGIBNXGCUGP-UHFFFAOYSA-N 1 3 326.485 1.258 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000627237881 451203226 /nfs/dbraw/zinc/20/32/26/451203226.db2.gz KOUDYOHLPUDMJD-BLLLJJGKSA-N 1 3 340.418 1.788 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N(C)CCC[NH+](C)C)ccc2[nH]c1=O ZINC000635768097 451229259 /nfs/dbraw/zinc/22/92/59/451229259.db2.gz BDJJCCGRONSOMD-UHFFFAOYSA-N 1 3 347.463 1.327 20 0 EDADHO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000640323001 451252399 /nfs/dbraw/zinc/25/23/99/451252399.db2.gz JOGFBHPZQNMDIK-SFHVURJKSA-N 1 3 340.427 1.434 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000638087382 451252461 /nfs/dbraw/zinc/25/24/61/451252461.db2.gz RVUGMWQTVYAZQO-MAUKXSAKSA-N 1 3 348.447 1.282 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635827534 451276671 /nfs/dbraw/zinc/27/66/71/451276671.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 1 3 330.476 1.704 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635827534 451276676 /nfs/dbraw/zinc/27/66/76/451276676.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 1 3 330.476 1.704 20 0 EDADHO C[C@@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000638127862 451298031 /nfs/dbraw/zinc/29/80/31/451298031.db2.gz ZLJBMGMYOHKVAX-NVXWUHKLSA-N 1 3 334.508 1.538 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638305355 451420062 /nfs/dbraw/zinc/42/00/62/451420062.db2.gz VQRZQVPWCOEUCO-DNVCBOLYSA-N 1 3 346.475 1.479 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1 ZINC000638351774 451452810 /nfs/dbraw/zinc/45/28/10/451452810.db2.gz GFKLTWCFSZZLCW-MRXNPFEDSA-N 1 3 333.480 1.295 20 0 EDADHO COc1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1OCCN(C)C ZINC000636033171 451454834 /nfs/dbraw/zinc/45/48/34/451454834.db2.gz DCLPPMJDRMRJCL-CQSZACIVSA-N 1 3 335.448 1.916 20 0 EDADHO COc1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1OCCN(C)C ZINC000636033171 451454838 /nfs/dbraw/zinc/45/48/38/451454838.db2.gz DCLPPMJDRMRJCL-CQSZACIVSA-N 1 3 335.448 1.916 20 0 EDADHO CC1CCN(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634700161 451473433 /nfs/dbraw/zinc/47/34/33/451473433.db2.gz UVMUYUBGTIMQTR-FQEVSTJZSA-N 1 3 331.504 1.945 20 0 EDADHO CC1CCN(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700161 451473437 /nfs/dbraw/zinc/47/34/37/451473437.db2.gz UVMUYUBGTIMQTR-FQEVSTJZSA-N 1 3 331.504 1.945 20 0 EDADHO CC1CCN(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700161 451473442 /nfs/dbraw/zinc/47/34/42/451473442.db2.gz UVMUYUBGTIMQTR-FQEVSTJZSA-N 1 3 331.504 1.945 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400634 451489206 /nfs/dbraw/zinc/48/92/06/451489206.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 1 3 346.519 1.682 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400634 451489212 /nfs/dbraw/zinc/48/92/12/451489212.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 1 3 346.519 1.682 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000636144171 451545626 /nfs/dbraw/zinc/54/56/26/451545626.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 1 3 341.496 1.104 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000636144171 451545632 /nfs/dbraw/zinc/54/56/32/451545632.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 1 3 341.496 1.104 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cc([C@H]3CC[NH2+]C3)[nH]n1)CCC2 ZINC000638543516 451570303 /nfs/dbraw/zinc/57/03/03/451570303.db2.gz LJQPAHUVZFBBKI-AWEZNQCLSA-N 1 3 325.416 1.538 20 0 EDADHO CO[C@@]1(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCOC1 ZINC000638692648 451656484 /nfs/dbraw/zinc/65/64/84/451656484.db2.gz KMSZUYQIQIGLFO-GOSISDBHSA-N 1 3 325.497 1.332 20 0 EDADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000638901028 451724988 /nfs/dbraw/zinc/72/49/88/451724988.db2.gz IRXKRKRHVDUXTH-GOEBONIOSA-N 1 3 334.464 1.559 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000639169386 451784009 /nfs/dbraw/zinc/78/40/09/451784009.db2.gz KBDATVAAQMUVLT-UHFFFAOYSA-N 1 3 346.475 1.601 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310594 451819753 /nfs/dbraw/zinc/81/97/53/451819753.db2.gz XWZUDIFUXROJFN-VQTJNVASSA-N 1 3 348.487 1.784 20 0 EDADHO O[C@@]1(C[N@@H+]2CC[C@H](N3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000639469744 451882631 /nfs/dbraw/zinc/88/26/31/451882631.db2.gz ACWWOYBHWVBPGQ-VQTJNVASSA-N 1 3 329.488 1.794 20 0 EDADHO O[C@@]1(C[N@H+]2CC[C@H](N3CCCC3)C2)CCN(Cc2ccccc2)C1 ZINC000639469744 451882634 /nfs/dbraw/zinc/88/26/34/451882634.db2.gz ACWWOYBHWVBPGQ-VQTJNVASSA-N 1 3 329.488 1.794 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000649287850 451960686 /nfs/dbraw/zinc/96/06/86/451960686.db2.gz CTHPCTUVFFGCJA-AWEZNQCLSA-N 1 3 344.419 1.005 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292365 451967651 /nfs/dbraw/zinc/96/76/51/451967651.db2.gz BPBQJEHPOOJWKQ-CABCVRRESA-N 1 3 325.478 1.483 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649299442 451977274 /nfs/dbraw/zinc/97/72/74/451977274.db2.gz VQLDHYUSXWJNSS-ZDUSSCGKSA-N 1 3 344.419 1.135 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)[NH+](C)C)cc1 ZINC000649302949 451980139 /nfs/dbraw/zinc/98/01/39/451980139.db2.gz IQDOFNJNEYBRFB-DLBZAZTESA-N 1 3 346.475 1.054 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CCC(C)(C)[NH3+])ccc2oc1=O ZINC000649312388 451990203 /nfs/dbraw/zinc/99/02/03/451990203.db2.gz LQNFTJHZVUPVAP-UHFFFAOYSA-N 1 3 334.420 1.612 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319710 451998753 /nfs/dbraw/zinc/99/87/53/451998753.db2.gz RZUDRGLPVVXGLT-OIISXLGYSA-N 1 3 333.480 1.022 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649326999 452007352 /nfs/dbraw/zinc/00/73/52/452007352.db2.gz NIUSDAJFGLERTC-CVEARBPZSA-N 1 3 331.464 1.047 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668267 452010340 /nfs/dbraw/zinc/01/03/40/452010340.db2.gz ZAJJKTWIEPLBCI-UHFFFAOYSA-N 1 3 336.484 1.954 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)N(C)Cc1ccccc1 ZINC000649332316 452012483 /nfs/dbraw/zinc/01/24/83/452012483.db2.gz RRQOVMFEVREVNG-HOCLYGCPSA-N 1 3 342.447 1.063 20 0 EDADHO O=C([C@@H]1CNCCC1(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000649342940 452022727 /nfs/dbraw/zinc/02/27/27/452022727.db2.gz YBFRDPFKRMWXPB-HNNXBMFYSA-N 1 3 345.434 1.335 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)[C@@]3(N)CC[N@H+](C)C3)CC2)CC1 ZINC000649344824 452024484 /nfs/dbraw/zinc/02/44/84/452024484.db2.gz RTCCSIKFTYREMC-FAFZWHIHSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)[C@@]3(N)CC[N@@H+](C)C3)CC2)CC1 ZINC000649344824 452024487 /nfs/dbraw/zinc/02/44/87/452024487.db2.gz RTCCSIKFTYREMC-FAFZWHIHSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)([NH3+])CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000649343605 452024832 /nfs/dbraw/zinc/02/48/32/452024832.db2.gz JUYOUTFCTAOMAZ-UHFFFAOYSA-N 1 3 333.476 1.777 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cnnn1-c1ccccc1 ZINC000651713694 452030701 /nfs/dbraw/zinc/03/07/01/452030701.db2.gz AADPIXMBLSPUAJ-KRWDZBQOSA-N 1 3 329.448 1.594 20 0 EDADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cnnn1-c1ccccc1 ZINC000651713694 452030707 /nfs/dbraw/zinc/03/07/07/452030707.db2.gz AADPIXMBLSPUAJ-KRWDZBQOSA-N 1 3 329.448 1.594 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351776 452036142 /nfs/dbraw/zinc/03/61/42/452036142.db2.gz RDXDIKFQIIBCOS-LBPRGKRZSA-N 1 3 339.390 1.017 20 0 EDADHO CCN1CCN(CCC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000649371627 452047706 /nfs/dbraw/zinc/04/77/06/452047706.db2.gz YJBPJHIAGNHQFK-SFHVURJKSA-N 1 3 330.476 1.099 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)[nH]1 ZINC000655459016 452253408 /nfs/dbraw/zinc/25/34/08/452253408.db2.gz YFKKJPRVIOVLKF-CXAGYDPISA-N 1 3 326.404 1.259 20 0 EDADHO CC[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)N1CCc2ccccc2C1 ZINC000659433707 452278494 /nfs/dbraw/zinc/27/84/94/452278494.db2.gz FPYRFGCPECMEGJ-RVSXGSNBSA-N 1 3 342.487 1.956 20 0 EDADHO CN(C)C1(CNC(=O)NCC2([NH3+])CCCC2)Cc2ccccc2C1 ZINC000659459089 452312092 /nfs/dbraw/zinc/31/20/92/452312092.db2.gz ICVDWXCJFNPHHR-UHFFFAOYSA-N 1 3 330.476 1.656 20 0 EDADHO COc1ccc([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000638049786 452320302 /nfs/dbraw/zinc/32/03/02/452320302.db2.gz NRGDNIXWJHTTKM-AEFFLSMTSA-N 1 3 329.444 1.996 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652125431 452321133 /nfs/dbraw/zinc/32/11/33/452321133.db2.gz SKGGQGXNZDMVCV-UHFFFAOYSA-N 1 3 334.464 1.555 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(CC(F)(F)F)C1 ZINC000665759245 452326475 /nfs/dbraw/zinc/32/64/75/452326475.db2.gz AVURFTQJJVFGCQ-LBPRGKRZSA-N 1 3 338.418 1.852 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(CC(F)(F)F)C1 ZINC000665759245 452326482 /nfs/dbraw/zinc/32/64/82/452326482.db2.gz AVURFTQJJVFGCQ-LBPRGKRZSA-N 1 3 338.418 1.852 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652136818 452332401 /nfs/dbraw/zinc/33/24/01/452332401.db2.gz ZQGRGIZRRKCIMH-GOSISDBHSA-N 1 3 332.492 1.848 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000665763587 452346083 /nfs/dbraw/zinc/34/60/83/452346083.db2.gz GIOLBPWLTHLUGY-YJBOKZPZSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000665763587 452346095 /nfs/dbraw/zinc/34/60/95/452346095.db2.gz GIOLBPWLTHLUGY-YJBOKZPZSA-N 1 3 340.512 1.469 20 0 EDADHO CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000665763750 452348892 /nfs/dbraw/zinc/34/88/92/452348892.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 1 3 341.544 1.384 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CCN1C ZINC000652159100 452352854 /nfs/dbraw/zinc/35/28/54/452352854.db2.gz RMHXZPKUJKGYFL-HMDCTGQHSA-N 1 3 338.496 1.397 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638064870 452364366 /nfs/dbraw/zinc/36/43/66/452364366.db2.gz PEJVBENGKDKKIV-QGWWYQLQSA-N 1 3 345.487 1.897 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638064870 452364377 /nfs/dbraw/zinc/36/43/77/452364377.db2.gz PEJVBENGKDKKIV-QGWWYQLQSA-N 1 3 345.487 1.897 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000638066155 452369603 /nfs/dbraw/zinc/36/96/03/452369603.db2.gz DMFOQRMPGCBRPD-IEBWSBKVSA-N 1 3 347.459 1.349 20 0 EDADHO O=C(CN1CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000638068582 452374462 /nfs/dbraw/zinc/37/44/62/452374462.db2.gz DFDQJMMSBWSVBV-SFHVURJKSA-N 1 3 330.476 1.235 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659522645 452387274 /nfs/dbraw/zinc/38/72/74/452387274.db2.gz FDSWSXLQSBVLKR-MSOLQXFVSA-N 1 3 348.491 1.570 20 0 EDADHO CC1(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000659564532 452419001 /nfs/dbraw/zinc/41/90/01/452419001.db2.gz BPSOGAKBRXXRDV-UHFFFAOYSA-N 1 3 345.491 1.735 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659567474 452423484 /nfs/dbraw/zinc/42/34/84/452423484.db2.gz VQGYBBXPWXCOJO-YJBOKZPZSA-N 1 3 345.491 1.672 20 0 EDADHO CCN1CCN(CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000645485068 452455038 /nfs/dbraw/zinc/45/50/38/452455038.db2.gz GFACMZKPHUGDHN-SFHVURJKSA-N 1 3 332.492 1.610 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CCO1 ZINC000640218722 452527674 /nfs/dbraw/zinc/52/76/74/452527674.db2.gz SZDOHERBJQWTIX-VHSSKADRSA-N 1 3 342.443 1.597 20 0 EDADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccc2c(c1)OCO2 ZINC000647814516 452543223 /nfs/dbraw/zinc/54/32/23/452543223.db2.gz RLLWUNCITJGSEN-UHFFFAOYSA-N 1 3 331.416 1.960 20 0 EDADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccc2c(c1)OCO2 ZINC000647814516 452543233 /nfs/dbraw/zinc/54/32/33/452543233.db2.gz RLLWUNCITJGSEN-UHFFFAOYSA-N 1 3 331.416 1.960 20 0 EDADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccc2c(c1)OCO2 ZINC000647814516 452543243 /nfs/dbraw/zinc/54/32/43/452543243.db2.gz RLLWUNCITJGSEN-UHFFFAOYSA-N 1 3 331.416 1.960 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659681616 452555302 /nfs/dbraw/zinc/55/53/02/452555302.db2.gz XSUFWWNWASONGG-CQSZACIVSA-N 1 3 338.496 1.001 20 0 EDADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)CCN1CC[NH2+]CC1 ZINC000647835066 452571201 /nfs/dbraw/zinc/57/12/01/452571201.db2.gz LHJYRWRXCLGXNA-UHFFFAOYSA-N 1 3 342.846 1.645 20 0 EDADHO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(OCCN(C)C)cc1 ZINC000655830406 452602388 /nfs/dbraw/zinc/60/23/88/452602388.db2.gz WQJFIXXTNXTQKN-HOCLYGCPSA-N 1 3 343.475 1.964 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912196 452670226 /nfs/dbraw/zinc/67/02/26/452670226.db2.gz RZKUICAARAGROU-QWHCGFSZSA-N 1 3 332.370 1.348 20 0 EDADHO C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655921579 452684744 /nfs/dbraw/zinc/68/47/44/452684744.db2.gz MDCGHGXZDSKONZ-GMXVVIOVSA-N 1 3 336.402 1.828 20 0 EDADHO C[C@H](NC(=O)N[C@H](CN)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000655921579 452684752 /nfs/dbraw/zinc/68/47/52/452684752.db2.gz MDCGHGXZDSKONZ-GMXVVIOVSA-N 1 3 336.402 1.828 20 0 EDADHO CCN(C)C[C@@H](O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966302 452710351 /nfs/dbraw/zinc/71/03/51/452710351.db2.gz LIURUCLJDALXQZ-LJQANCHMSA-N 1 3 334.508 1.333 20 0 EDADHO CCN(C)C[C@@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000647966302 452710358 /nfs/dbraw/zinc/71/03/58/452710358.db2.gz LIURUCLJDALXQZ-LJQANCHMSA-N 1 3 334.508 1.333 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664033949 452733029 /nfs/dbraw/zinc/73/30/29/452733029.db2.gz IISHYSVMZHETBF-AWEZNQCLSA-N 1 3 328.501 1.515 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655958482 452736747 /nfs/dbraw/zinc/73/67/47/452736747.db2.gz LBDVVYGPHODTGS-HOTGVXAUSA-N 1 3 330.432 1.217 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccnn2-c2ccccn2)CC1 ZINC000648007395 452749583 /nfs/dbraw/zinc/74/95/83/452749583.db2.gz GFBKXAJORZEHCS-INIZCTEOSA-N 1 3 343.475 1.792 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665463 452777677 /nfs/dbraw/zinc/77/76/77/452777677.db2.gz JCCVGAJWBPXFNF-YQQAZPJKSA-N 1 3 338.496 1.221 20 0 EDADHO O=C(C[C@H]1CSCCN1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648048950 452783496 /nfs/dbraw/zinc/78/34/96/452783496.db2.gz SEOXKPFYWNSGAW-CVEARBPZSA-N 1 3 334.489 1.115 20 0 EDADHO CC(C)NC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000662118978 452857684 /nfs/dbraw/zinc/85/76/84/452857684.db2.gz NPRUNDMBSQPXNT-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)NC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000662118978 452857690 /nfs/dbraw/zinc/85/76/90/452857690.db2.gz NPRUNDMBSQPXNT-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO C[NH2+]Cc1ccccc1CNCc1cnc(N2CCN(C)CC2)nc1 ZINC000650719533 452949747 /nfs/dbraw/zinc/94/97/47/452949747.db2.gz SYCJETLZXSABCF-UHFFFAOYSA-N 1 3 340.475 1.238 20 0 EDADHO C[C@H](CCNC(=O)C(=O)Nc1ccccc1CCN(C)C)[NH+](C)C ZINC000658425159 452950831 /nfs/dbraw/zinc/95/08/31/452950831.db2.gz FGNGRRCBLJHYHZ-CQSZACIVSA-N 1 3 334.464 1.186 20 0 EDADHO COCCN(CCOc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258933 452987987 /nfs/dbraw/zinc/98/79/87/452987987.db2.gz YOMMNTDNQNPMAQ-QGZVFWFLSA-N 1 3 338.423 1.674 20 0 EDADHO FC1(F)Oc2ccc(CCN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2O1 ZINC000662277457 453001538 /nfs/dbraw/zinc/00/15/38/453001538.db2.gz UYQOHFQYEJYZGJ-CQSZACIVSA-N 1 3 339.386 1.530 20 0 EDADHO CNS(=O)(=O)c1ccc(CN(CCC[NH3+])CC2CCCC2)cc1 ZINC000662274012 453003004 /nfs/dbraw/zinc/00/30/04/453003004.db2.gz RLLVLURFGLIPCK-UHFFFAOYSA-N 1 3 339.505 1.936 20 0 EDADHO Cc1cc(N2CC[C@@H](N3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293551 453017136 /nfs/dbraw/zinc/01/71/36/453017136.db2.gz LWFGXAIOBRBQOQ-IAGOWNOFSA-N 1 3 345.491 1.545 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)CO)CC2)CC1 ZINC000654930448 453044147 /nfs/dbraw/zinc/04/41/47/453044147.db2.gz IZQASNRVAHUUJW-UHFFFAOYSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666693928 453071056 /nfs/dbraw/zinc/07/10/56/453071056.db2.gz JHTWAFZGPWJKKL-UHFFFAOYSA-N 1 3 346.475 1.663 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000666693928 453071060 /nfs/dbraw/zinc/07/10/60/453071060.db2.gz JHTWAFZGPWJKKL-UHFFFAOYSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666697354 453075598 /nfs/dbraw/zinc/07/55/98/453075598.db2.gz MRJQAQDXJNIIRN-AWEZNQCLSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000666754436 453117688 /nfs/dbraw/zinc/11/76/88/453117688.db2.gz NHDIWPLEYPBLAC-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000666754343 453118973 /nfs/dbraw/zinc/11/89/73/453118973.db2.gz LGFXKKNLJZYARJ-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660395120 453269471 /nfs/dbraw/zinc/26/94/71/453269471.db2.gz AACBAZCBGYFEHV-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660395120 453269476 /nfs/dbraw/zinc/26/94/76/453269476.db2.gz AACBAZCBGYFEHV-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662554910 453285079 /nfs/dbraw/zinc/28/50/79/453285079.db2.gz SSAGZOVXDQKTJD-KDOFPFPSSA-N 1 3 327.428 1.599 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648804070 453289203 /nfs/dbraw/zinc/28/92/03/453289203.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 1 3 331.460 1.080 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648804070 453289208 /nfs/dbraw/zinc/28/92/08/453289208.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 1 3 331.460 1.080 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000653112469 453300258 /nfs/dbraw/zinc/30/02/58/453300258.db2.gz ZLPFMULCHWBJJC-ROUUACIJSA-N 1 3 332.492 1.436 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N2CCCC2)cc1 ZINC000653114096 453301724 /nfs/dbraw/zinc/30/17/24/453301724.db2.gz YAMLQFFCLLHKNC-QZTJIDSGSA-N 1 3 332.492 1.527 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653117423 453304573 /nfs/dbraw/zinc/30/45/73/453304573.db2.gz LJVSICRFQHTQMA-ALKREAHSSA-N 1 3 331.460 1.468 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000651194770 453347173 /nfs/dbraw/zinc/34/71/73/453347173.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000651194770 453347181 /nfs/dbraw/zinc/34/71/81/453347181.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192201 453382158 /nfs/dbraw/zinc/38/21/58/453382158.db2.gz ITRCBHQWEPOMQI-BDXSIMOUSA-N 1 3 331.460 1.301 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000660541962 453387414 /nfs/dbraw/zinc/38/74/14/453387414.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 1 3 337.489 1.652 20 0 EDADHO CNS(=O)(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000660541962 453387422 /nfs/dbraw/zinc/38/74/22/453387422.db2.gz LHXNROCTQXCEFN-XYPWUTKMSA-N 1 3 337.489 1.652 20 0 EDADHO C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000662679498 453399890 /nfs/dbraw/zinc/39/98/90/453399890.db2.gz PEYJKQIXGMZFMK-KGLIPLIRSA-N 1 3 334.468 1.195 20 0 EDADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000662679499 453399916 /nfs/dbraw/zinc/39/99/16/453399916.db2.gz PEYJKQIXGMZFMK-UONOGXRCSA-N 1 3 334.468 1.195 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)ccc1OCCN(C)C ZINC000662693917 453414263 /nfs/dbraw/zinc/41/42/63/453414263.db2.gz VFJJKJVBMKDZIK-KRWDZBQOSA-N 1 3 349.475 1.640 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000662699385 453419493 /nfs/dbraw/zinc/41/94/93/453419493.db2.gz QDVMLOISKKZFLA-BMFZPTHFSA-N 1 3 337.489 1.440 20 0 EDADHO Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000667176513 453453696 /nfs/dbraw/zinc/45/36/96/453453696.db2.gz OWQYLJJCOITZLJ-CQSZACIVSA-N 1 3 334.468 1.722 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662750864 453485304 /nfs/dbraw/zinc/48/53/04/453485304.db2.gz UYZIQLOMYBXCNF-NXHRZFHOSA-N 1 3 331.460 1.473 20 0 EDADHO [NH3+][C@H]1C[C@H](C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000662755395 453491774 /nfs/dbraw/zinc/49/17/74/453491774.db2.gz APBPLLMKHGEXHM-WGSAOQKQSA-N 1 3 344.503 1.438 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793411 453528452 /nfs/dbraw/zinc/52/84/52/453528452.db2.gz GZSGPGKJPJWFKT-GOEBONIOSA-N 1 3 332.448 1.698 20 0 EDADHO CCN1CCC(n2nccc2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443495 453530028 /nfs/dbraw/zinc/53/00/28/453530028.db2.gz WGQDHDAPJDBJPT-QAPCUYQASA-N 1 3 331.464 1.868 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000662817218 453548954 /nfs/dbraw/zinc/54/89/54/453548954.db2.gz RPWORRBEAAKYKZ-GZBFAFLISA-N 1 3 345.340 1.621 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660740632 453557470 /nfs/dbraw/zinc/55/74/70/453557470.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660740632 453557472 /nfs/dbraw/zinc/55/74/72/453557472.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000662875180 453583885 /nfs/dbraw/zinc/58/38/85/453583885.db2.gz GGHAYVMJQLRPRZ-UHFFFAOYSA-N 1 3 328.460 1.148 20 0 EDADHO CN(C(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900445 453594233 /nfs/dbraw/zinc/59/42/33/453594233.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 1 3 344.503 1.183 20 0 EDADHO CN(C(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900445 453594237 /nfs/dbraw/zinc/59/42/37/453594237.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 1 3 344.503 1.183 20 0 EDADHO CN(C(=O)[C@H](N)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900445 453594242 /nfs/dbraw/zinc/59/42/42/453594242.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 1 3 344.503 1.183 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C2)C1 ZINC000659041909 453595976 /nfs/dbraw/zinc/59/59/76/453595976.db2.gz JVFBCRXZMMUYPE-IEBWSBKVSA-N 1 3 344.459 1.907 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C2)C1 ZINC000659041909 453595981 /nfs/dbraw/zinc/59/59/81/453595981.db2.gz JVFBCRXZMMUYPE-IEBWSBKVSA-N 1 3 344.459 1.907 20 0 EDADHO C[C@H](NC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853217 453609760 /nfs/dbraw/zinc/60/97/60/453609760.db2.gz SBIYBTZEZNPAHL-YOEHRIQHSA-N 1 3 338.496 1.269 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2cnc(C)nc2C)CC1 ZINC000665287637 453637044 /nfs/dbraw/zinc/63/70/44/453637044.db2.gz QQOFVSMBTWEWHB-AWEZNQCLSA-N 1 3 333.480 1.735 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659369815 453730490 /nfs/dbraw/zinc/73/04/90/453730490.db2.gz UNGUMXVIOYHFHD-ZWKOTPCHSA-N 1 3 325.412 1.856 20 0 EDADHO CN(c1ccccc1CNC[C@H]1CCCNC1=O)C1CC[NH+](C)CC1 ZINC000657284851 453758294 /nfs/dbraw/zinc/75/82/94/453758294.db2.gz WQNPZQGXBHKBLN-QGZVFWFLSA-N 1 3 344.503 1.833 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657308532 453763250 /nfs/dbraw/zinc/76/32/50/453763250.db2.gz UOHGGJRDEOTGDQ-UHFFFAOYSA-N 1 3 347.429 1.946 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000665637917 453778068 /nfs/dbraw/zinc/77/80/68/453778068.db2.gz SRMLAMXFLUUFFP-QGTPRVQTSA-N 1 3 348.491 1.216 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000665637917 453778071 /nfs/dbraw/zinc/77/80/71/453778071.db2.gz SRMLAMXFLUUFFP-QGTPRVQTSA-N 1 3 348.491 1.216 20 0 EDADHO CCN1CCN(CCNc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000663396686 453788893 /nfs/dbraw/zinc/78/88/93/453788893.db2.gz HJWVEPDBZLVFTQ-UHFFFAOYSA-N 1 3 344.459 1.723 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1)C(C)C ZINC000663488243 453808318 /nfs/dbraw/zinc/80/83/18/453808318.db2.gz QYVUVQCRWGPVBD-UHFFFAOYSA-N 1 3 331.460 1.731 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)N2CCOC3(CNC3)C2)cc1)C(C)C ZINC000663488243 453808319 /nfs/dbraw/zinc/80/83/19/453808319.db2.gz QYVUVQCRWGPVBD-UHFFFAOYSA-N 1 3 331.460 1.731 20 0 EDADHO CC1(C(=O)N2CCOC3(CNC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000663491600 453809571 /nfs/dbraw/zinc/80/95/71/453809571.db2.gz HTMWCTXQQPRQTL-UHFFFAOYSA-N 1 3 343.471 1.490 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271383 486776078 /nfs/dbraw/zinc/77/60/78/486776078.db2.gz MAFBVZOUYARCMD-YJNKEBTESA-N 1 3 343.537 1.699 20 0 EDADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271383 486776081 /nfs/dbraw/zinc/77/60/81/486776081.db2.gz MAFBVZOUYARCMD-YJNKEBTESA-N 1 3 343.537 1.699 20 0 EDADHO Cc1cnn(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667445660 486786359 /nfs/dbraw/zinc/78/63/59/486786359.db2.gz VDLSNCKTJNTKFZ-UHFFFAOYSA-N 1 3 334.468 1.409 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734274 486810141 /nfs/dbraw/zinc/81/01/41/486810141.db2.gz JQLKMSNHIAKUCX-IRXDYDNUSA-N 1 3 330.476 1.655 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)ccc1CN(C)C ZINC000667515263 486816084 /nfs/dbraw/zinc/81/60/84/486816084.db2.gz JABJANBWQAHZJT-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000430896096 486897250 /nfs/dbraw/zinc/89/72/50/486897250.db2.gz WGANXUGKHOHRJF-ZWKOTPCHSA-N 1 3 331.460 1.387 20 0 EDADHO CCn1ncc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667809709 486975660 /nfs/dbraw/zinc/97/56/60/486975660.db2.gz QOZNBLWPPRCHOX-UHFFFAOYSA-N 1 3 348.495 1.892 20 0 EDADHO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684420076 487055499 /nfs/dbraw/zinc/05/54/99/487055499.db2.gz HZXDENYUFNSQHX-SFHVURJKSA-N 1 3 333.476 1.975 20 0 EDADHO COC1CCN(CCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000674326442 487238059 /nfs/dbraw/zinc/23/80/59/487238059.db2.gz BQRIDTLCELIHSY-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000669521664 485490962 /nfs/dbraw/zinc/49/09/62/485490962.db2.gz DVQWTFZNPDWAIC-NJAFHUGGSA-N 1 3 346.475 1.327 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000669521664 485490972 /nfs/dbraw/zinc/49/09/72/485490972.db2.gz DVQWTFZNPDWAIC-NJAFHUGGSA-N 1 3 346.475 1.327 20 0 EDADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1CCO ZINC000669574529 485612879 /nfs/dbraw/zinc/61/28/79/485612879.db2.gz ZSLYAZNZAFOPJH-SJORKVTESA-N 1 3 335.492 1.514 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC000669586766 485637398 /nfs/dbraw/zinc/63/73/98/485637398.db2.gz SXNMFPYTBCIWNR-RTRPANQVSA-N 1 3 334.464 1.891 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1ccccc1Br ZINC000422934909 486010443 /nfs/dbraw/zinc/01/04/43/486010443.db2.gz GRLQBEIFFPIWDJ-OBJOEFQTSA-N 1 3 343.265 1.906 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC000621656028 491003477 /nfs/dbraw/zinc/00/34/77/491003477.db2.gz FPYRJUXTIMEWHT-LBPRGKRZSA-N 1 3 328.420 1.649 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCN1C ZINC000154046492 533964889 /nfs/dbraw/zinc/96/48/89/533964889.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000154046492 533964895 /nfs/dbraw/zinc/96/48/95/533964895.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC[N@H+]1C ZINC000154046492 533964903 /nfs/dbraw/zinc/96/49/03/533964903.db2.gz LOMZUIYYXZNBNU-VBSBHUPXSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000154932658 534046819 /nfs/dbraw/zinc/04/68/19/534046819.db2.gz HOMXSTQJRRNEAI-HOTGVXAUSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000154932658 534046827 /nfs/dbraw/zinc/04/68/27/534046827.db2.gz HOMXSTQJRRNEAI-HOTGVXAUSA-N 1 3 348.491 1.872 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000164758870 528135691 /nfs/dbraw/zinc/13/56/91/528135691.db2.gz PTQCMZKYBVGMET-QGZVFWFLSA-N 1 3 346.475 1.839 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CCN(C)C)c1 ZINC000154759080 528195968 /nfs/dbraw/zinc/19/59/68/528195968.db2.gz UVURUCGWTUGLBS-UHFFFAOYSA-N 1 3 334.464 1.487 20 0 EDADHO COCCCN1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262707994 536547516 /nfs/dbraw/zinc/54/75/16/536547516.db2.gz DSANCOMVYFJXDB-MRXNPFEDSA-N 1 3 349.479 1.038 20 0 EDADHO CC1(C)Cc2cccc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623651 534953463 /nfs/dbraw/zinc/95/34/63/534953463.db2.gz GKIYDXVDFAUZLL-INIZCTEOSA-N 1 3 331.460 1.687 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1)C(C)C ZINC000339614166 535065907 /nfs/dbraw/zinc/06/59/07/535065907.db2.gz SKRKYMRXISJIRX-UHFFFAOYSA-N 1 3 340.512 1.164 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)C(C)(C)C)nc2)CC1 ZINC000262632149 536114316 /nfs/dbraw/zinc/11/43/16/536114316.db2.gz FQYAXWDHIOOIHA-MRXNPFEDSA-N 1 3 333.480 1.924 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000345666398 536779360 /nfs/dbraw/zinc/77/93/60/536779360.db2.gz NIGJYNPCDHIYNW-HOTGVXAUSA-N 1 3 328.501 1.466 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1ccnc1C ZINC000725896867 578301802 /nfs/dbraw/zinc/30/18/02/578301802.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 1 3 349.523 1.846 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCn1ccnc1C ZINC000725896867 578301803 /nfs/dbraw/zinc/30/18/03/578301803.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 1 3 349.523 1.846 20 0 EDADHO C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)N1CCC(C)CC1 ZINC000760476815 580031580 /nfs/dbraw/zinc/03/15/80/580031580.db2.gz JMYPCRRNLVGEHL-OAHLLOKOSA-N 1 3 326.554 1.913 20 0 EDADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747530356 579647632 /nfs/dbraw/zinc/64/76/32/579647632.db2.gz ZEJLFLBPTAYJEU-SFHVURJKSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747530356 579647633 /nfs/dbraw/zinc/64/76/33/579647633.db2.gz ZEJLFLBPTAYJEU-SFHVURJKSA-N 1 3 337.508 1.819 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000750584305 579772197 /nfs/dbraw/zinc/77/21/97/579772197.db2.gz ODMPFKVGVYHWBG-UHFFFAOYSA-N 1 3 333.480 1.854 20 0 EDADHO CN(CCC[NH+](C)C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000758494155 579984081 /nfs/dbraw/zinc/98/40/81/579984081.db2.gz OVBYMUGWGJIGJQ-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763028581 580090340 /nfs/dbraw/zinc/09/03/40/580090340.db2.gz AFYJLVHWZHJWDG-IRXDYDNUSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766120632 580159683 /nfs/dbraw/zinc/15/96/83/580159683.db2.gz ACCJKDPGVMAJPW-PKOBYXMFSA-N 1 3 347.503 1.322 20 0 EDADHO CCOC(=O)N1CC[C@H](NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769935336 580248935 /nfs/dbraw/zinc/24/89/35/580248935.db2.gz NNQHTWPNFNJAJM-INIZCTEOSA-N 1 3 335.448 1.947 20 0 EDADHO COc1ccc([C@@H]2[C@@H](COC(=O)C3CCN(C)C3=O)CC[N@@H+]2C)cc1 ZINC000774100008 580353956 /nfs/dbraw/zinc/35/39/56/580353956.db2.gz ONFJUFLDRVWWJG-HYVNUMGLSA-N 1 3 346.427 1.710 20 0 EDADHO COc1ccc([C@@H]2[C@@H](COC(=O)C3CCN(C)C3=O)CC[N@H+]2C)cc1 ZINC000774100008 580353957 /nfs/dbraw/zinc/35/39/57/580353957.db2.gz ONFJUFLDRVWWJG-HYVNUMGLSA-N 1 3 346.427 1.710 20 0 EDADHO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOCCN(C)C ZINC000774376730 580360836 /nfs/dbraw/zinc/36/08/36/580360836.db2.gz MNDASPXIUYEXEY-LBPRGKRZSA-N 1 3 328.844 1.620 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccncc2CO)CC1 ZINC000891816265 590633932 /nfs/dbraw/zinc/63/39/32/590633932.db2.gz UIHDXHATWMEHEZ-UHFFFAOYSA-N 1 3 348.491 1.638 20 0 EDADHO CN1CCC(C[NH2+]C2CCS(=O)CC2)(N2CCCCC2)CC1 ZINC000893066975 590644961 /nfs/dbraw/zinc/64/49/61/590644961.db2.gz CCIFNAIDNUEZOO-UHFFFAOYSA-N 1 3 327.538 1.437 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000891875230 590665175 /nfs/dbraw/zinc/66/51/75/590665175.db2.gz UEGBFFPFQADQJT-SCTDSRPQSA-N 1 3 330.476 1.935 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN(C)CC1 ZINC000891907317 590681235 /nfs/dbraw/zinc/68/12/35/590681235.db2.gz RQTWVXUDWCSEBZ-QDMKHBRRSA-N 1 3 340.537 1.644 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726874 /nfs/dbraw/zinc/72/68/74/590726874.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726876 /nfs/dbraw/zinc/72/68/76/590726876.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CCN1c1ccncc1 ZINC000892056303 590776375 /nfs/dbraw/zinc/77/63/75/590776375.db2.gz AUXBZHVHZZBSJC-OAHLLOKOSA-N 1 3 331.464 1.691 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000892182113 590849334 /nfs/dbraw/zinc/84/93/34/590849334.db2.gz XIDVMLFCKOIWQS-NXHRZFHOSA-N 1 3 346.475 1.042 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000892182113 590849337 /nfs/dbraw/zinc/84/93/37/590849337.db2.gz XIDVMLFCKOIWQS-NXHRZFHOSA-N 1 3 346.475 1.042 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892188247 590854588 /nfs/dbraw/zinc/85/45/88/590854588.db2.gz KMYYKVLZOJUNNO-LXPRWKDFSA-N 1 3 330.476 1.873 20 0 EDADHO CN1CCN(C)CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000888986687 590957999 /nfs/dbraw/zinc/95/79/99/590957999.db2.gz QJGSDQMTPIOSIJ-UHFFFAOYSA-N 1 3 344.503 1.141 20 0 EDADHO CN(C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H]1CCN(C2CC2)C1 ZINC000892344635 590973000 /nfs/dbraw/zinc/97/30/00/590973000.db2.gz ZVEZSDILXVSZBC-KRWDZBQOSA-N 1 3 328.460 1.710 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)N2CCCC2)cc1 ZINC000891458873 591078372 /nfs/dbraw/zinc/07/83/72/591078372.db2.gz GHXVDNJKEWOBEL-OKZBNKHCSA-N 1 3 328.460 1.888 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891570934 591130718 /nfs/dbraw/zinc/13/07/18/591130718.db2.gz VTVXPFHKPDPONU-JLSDUUJJSA-N 1 3 328.460 1.968 20 0 EDADHO CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCCN(C)C1 ZINC000893913038 591135776 /nfs/dbraw/zinc/13/57/76/591135776.db2.gz AQEFVJBWBVUTKR-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891634130 591159825 /nfs/dbraw/zinc/15/98/25/591159825.db2.gz MHGUBECGPNXDQU-WKILWMFISA-N 1 3 340.512 1.693 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000893985028 591160441 /nfs/dbraw/zinc/16/04/41/591160441.db2.gz BWHVCJQFJLQLIG-MRXNPFEDSA-N 1 3 345.491 1.939 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000893985028 591160443 /nfs/dbraw/zinc/16/04/43/591160443.db2.gz BWHVCJQFJLQLIG-MRXNPFEDSA-N 1 3 345.491 1.939 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672712 591178394 /nfs/dbraw/zinc/17/83/94/591178394.db2.gz CGACFQPVPZZBGZ-JKSUJKDBSA-N 1 3 338.496 1.319 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892789882 591179900 /nfs/dbraw/zinc/17/99/00/591179900.db2.gz UXSQAVBSNZAPTL-QYZOEREBSA-N 1 3 342.487 1.732 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892798739 591181002 /nfs/dbraw/zinc/18/10/02/591181002.db2.gz ITWPNPKHGQHYOU-GOSISDBHSA-N 1 3 330.476 1.828 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccn1 ZINC000891725034 591200573 /nfs/dbraw/zinc/20/05/73/591200573.db2.gz DKBHMWSDZRJNNQ-CRAIPNDOSA-N 1 3 347.463 1.106 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944347 591234667 /nfs/dbraw/zinc/23/46/67/591234667.db2.gz PAMCAPCLKMTUNP-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232082 591238430 /nfs/dbraw/zinc/23/84/30/591238430.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 1 3 342.487 1.710 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232082 591238432 /nfs/dbraw/zinc/23/84/32/591238432.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 1 3 342.487 1.710 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc3c2NCCC3)C1 ZINC000894242616 591242604 /nfs/dbraw/zinc/24/26/04/591242604.db2.gz QGTHQJGTVMODDV-KRWDZBQOSA-N 1 3 330.476 1.722 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781447 591274002 /nfs/dbraw/zinc/27/40/02/591274002.db2.gz TYULQLNTFUUJHM-JTDSTZFVSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781447 591274003 /nfs/dbraw/zinc/27/40/03/591274003.db2.gz TYULQLNTFUUJHM-JTDSTZFVSA-N 1 3 349.519 1.961 20 0 EDADHO CN1C[C@@H]2CCN(C(=O)NCc3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC000894346231 591285265 /nfs/dbraw/zinc/28/52/65/591285265.db2.gz STPGMAVUNWPYIL-ZWKOTPCHSA-N 1 3 330.476 1.636 20 0 EDADHO COC(=O)c1cc(CNCCC[N@@H+]2CCCN(C)CC2)cs1 ZINC000894375024 591294414 /nfs/dbraw/zinc/29/44/14/591294414.db2.gz IUSRJEXHHMCOOS-UHFFFAOYSA-N 1 3 325.478 1.652 20 0 EDADHO COC(=O)c1cc(CNCCC[N@H+]2CCCN(C)CC2)cs1 ZINC000894375024 591294416 /nfs/dbraw/zinc/29/44/16/591294416.db2.gz IUSRJEXHHMCOOS-UHFFFAOYSA-N 1 3 325.478 1.652 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000894451650 591315606 /nfs/dbraw/zinc/31/56/06/591315606.db2.gz QVUDFRPGLTVCQJ-UHFFFAOYSA-N 1 3 346.475 1.601 20 0 EDADHO Cc1cnc2c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn2c1 ZINC000898584594 591422939 /nfs/dbraw/zinc/42/29/39/591422939.db2.gz GWXQXNFQMCLJDA-AWEZNQCLSA-N 1 3 332.452 1.040 20 0 EDADHO Cc1cnc2c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn2c1 ZINC000898584594 591422941 /nfs/dbraw/zinc/42/29/41/591422941.db2.gz GWXQXNFQMCLJDA-AWEZNQCLSA-N 1 3 332.452 1.040 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000898585275 591423359 /nfs/dbraw/zinc/42/33/59/591423359.db2.gz QNRMRQDLFJGGTH-KGLIPLIRSA-N 1 3 335.496 1.536 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC000898585275 591423361 /nfs/dbraw/zinc/42/33/61/591423361.db2.gz QNRMRQDLFJGGTH-KGLIPLIRSA-N 1 3 335.496 1.536 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000898585359 591423485 /nfs/dbraw/zinc/42/34/85/591423485.db2.gz UFZJLSCMEVQPFM-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000898585359 591423488 /nfs/dbraw/zinc/42/34/88/591423488.db2.gz UFZJLSCMEVQPFM-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894815337 591427767 /nfs/dbraw/zinc/42/77/67/591427767.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894815337 591427772 /nfs/dbraw/zinc/42/77/72/591427772.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCN2CCC[C@@H]2C)C1 ZINC000897482569 591488543 /nfs/dbraw/zinc/48/85/43/591488543.db2.gz BNKPNOQZVIKPEJ-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCN(C)CC1 ZINC000894954229 591499388 /nfs/dbraw/zinc/49/93/88/591499388.db2.gz KRSHEZFXVKBHGE-GOEBONIOSA-N 1 3 340.537 1.407 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCN(C)CC1 ZINC000894954229 591499391 /nfs/dbraw/zinc/49/93/91/591499391.db2.gz KRSHEZFXVKBHGE-GOEBONIOSA-N 1 3 340.537 1.407 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894989765 591509145 /nfs/dbraw/zinc/50/91/45/591509145.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894989765 591509147 /nfs/dbraw/zinc/50/91/47/591509147.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C1CN(C2CCOCC2)C1 ZINC000897530771 591534619 /nfs/dbraw/zinc/53/46/19/591534619.db2.gz OOZAMTIRUWMZNS-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CCO[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)CN(C)C ZINC000896684039 591574051 /nfs/dbraw/zinc/57/40/51/591574051.db2.gz XZBLCDRYPLUSKA-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897598577 591577108 /nfs/dbraw/zinc/57/71/08/591577108.db2.gz ZUEVJOJPIUKZHX-RTBURBONSA-N 1 3 344.503 1.433 20 0 EDADHO CCN1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897598577 591577110 /nfs/dbraw/zinc/57/71/10/591577110.db2.gz ZUEVJOJPIUKZHX-RTBURBONSA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)CCOCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788017797 591670409 /nfs/dbraw/zinc/67/04/09/591670409.db2.gz MHYLGKBZXBNZLY-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@]1(CO)C[C@@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895328498 591714976 /nfs/dbraw/zinc/71/49/76/591714976.db2.gz GPWCRCKCPKBMFH-MJGOQNOKSA-N 1 3 334.460 1.479 20 0 EDADHO CN(C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Cc1ccccc1 ZINC000900013996 591867487 /nfs/dbraw/zinc/86/74/87/591867487.db2.gz UIVBLYVYRYFOIJ-PKOBYXMFSA-N 1 3 333.476 1.122 20 0 EDADHO CN(C)[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000900013996 591867489 /nfs/dbraw/zinc/86/74/89/591867489.db2.gz UIVBLYVYRYFOIJ-PKOBYXMFSA-N 1 3 333.476 1.122 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900339891 591988795 /nfs/dbraw/zinc/98/87/95/591988795.db2.gz SPPXEIZTLIMDPQ-QAPCUYQASA-N 1 3 343.475 1.789 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900339891 591988797 /nfs/dbraw/zinc/98/87/97/591988797.db2.gz SPPXEIZTLIMDPQ-QAPCUYQASA-N 1 3 343.475 1.789 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900339110 591989031 /nfs/dbraw/zinc/98/90/31/591989031.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900339110 591989033 /nfs/dbraw/zinc/98/90/33/591989033.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 1 3 325.497 1.460 20 0 EDADHO COC[C@@H](CCC[NH3+])NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000902514480 592008803 /nfs/dbraw/zinc/00/88/03/592008803.db2.gz NYFFPRKFPXHJDB-OAHLLOKOSA-N 1 3 341.477 1.434 20 0 EDADHO Cc1cccc(NC(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1C ZINC000903441586 592170345 /nfs/dbraw/zinc/17/03/45/592170345.db2.gz ZQGWUQUIHWODMX-MSOLQXFVSA-N 1 3 344.503 1.987 20 0 EDADHO COc1ccc(CCNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494683 592186902 /nfs/dbraw/zinc/18/69/02/592186902.db2.gz KPQZZUXOLAKBAL-GDBMZVCRSA-N 1 3 349.475 1.279 20 0 EDADHO CN(CC(=O)NC[C@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222796 /nfs/dbraw/zinc/22/27/96/592222796.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 1 3 331.460 1.006 20 0 EDADHO CN(CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222797 /nfs/dbraw/zinc/22/27/97/592222797.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 1 3 331.460 1.006 20 0 EDADHO CN(CC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222799 /nfs/dbraw/zinc/22/27/99/592222799.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 1 3 331.460 1.006 20 0 EDADHO C[N@H+](CC(=O)NC[C@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222801 /nfs/dbraw/zinc/22/28/01/592222801.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 1 3 331.460 1.006 20 0 EDADHO C[N@@H+](CC(=O)NC[C@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222802 /nfs/dbraw/zinc/22/28/02/592222802.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 1 3 331.460 1.006 20 0 EDADHO [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000906652595 592235499 /nfs/dbraw/zinc/23/54/99/592235499.db2.gz NPKLVIHQXQADOD-OAHLLOKOSA-N 1 3 330.432 1.171 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@@H]1NCCc2ccccc21 ZINC000904356397 592237488 /nfs/dbraw/zinc/23/74/88/592237488.db2.gz WPFNRJFGSQGNSL-SFHVURJKSA-N 1 3 326.444 1.666 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNc1ccc2c(c1)CNCCO2 ZINC000904354134 592237635 /nfs/dbraw/zinc/23/76/35/592237635.db2.gz AZUMFWXOXMWEPQ-UHFFFAOYSA-N 1 3 328.416 1.783 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665556 592248457 /nfs/dbraw/zinc/24/84/57/592248457.db2.gz ZECRFUQGLGDOII-BBRMVZONSA-N 1 3 346.475 1.618 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)c1cc2n(n1)CCCC2=O ZINC000906670926 592252670 /nfs/dbraw/zinc/25/26/70/592252670.db2.gz MOQXTOSUHQEGQX-UHFFFAOYSA-N 1 3 349.479 1.205 20 0 EDADHO CN1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCC1(C)C ZINC000906680224 592261381 /nfs/dbraw/zinc/26/13/81/592261381.db2.gz LLFHHLZIDRDNOH-UHFFFAOYSA-N 1 3 346.475 1.762 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C[C@]2(C)C1 ZINC000904524314 592278578 /nfs/dbraw/zinc/27/85/78/592278578.db2.gz MQCGQZCGAYLJDV-SUMDDJOVSA-N 1 3 344.459 1.763 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)C[C@]2(C)C1 ZINC000904524314 592278581 /nfs/dbraw/zinc/27/85/81/592278581.db2.gz MQCGQZCGAYLJDV-SUMDDJOVSA-N 1 3 344.459 1.763 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904530830 592280069 /nfs/dbraw/zinc/28/00/69/592280069.db2.gz PIESUUVIICUCAQ-GUYCJALGSA-N 1 3 332.452 1.495 20 0 EDADHO CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717438 592280455 /nfs/dbraw/zinc/28/04/55/592280455.db2.gz AKJSZTOCAVAART-BXWFABGCSA-N 1 3 332.444 1.917 20 0 EDADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732460 592287884 /nfs/dbraw/zinc/28/78/84/592287884.db2.gz DWFJNRUHSNTCPN-GPMSIDNRSA-N 1 3 341.459 1.677 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000906740338 592305297 /nfs/dbraw/zinc/30/52/97/592305297.db2.gz HVPBHZAWGGUIIT-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO COc1ccccc1N1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829589 592334978 /nfs/dbraw/zinc/33/49/78/592334978.db2.gz IBNWTSADIOXECZ-FXAWDEMLSA-N 1 3 345.487 1.976 20 0 EDADHO FC(F)(F)c1ccnc([C@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825903 592335409 /nfs/dbraw/zinc/33/54/09/592335409.db2.gz DORCEWPZUHPIFS-NWDGAFQWSA-N 1 3 342.365 1.663 20 0 EDADHO CCCCNC(=O)[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888868 592351543 /nfs/dbraw/zinc/35/15/43/592351543.db2.gz LYQAHYQKKUSWIC-SJORKVTESA-N 1 3 349.523 1.474 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908156534 592352341 /nfs/dbraw/zinc/35/23/41/592352341.db2.gz QKWNGLVLCZKWRY-GOSISDBHSA-N 1 3 325.497 1.558 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908156534 592352344 /nfs/dbraw/zinc/35/23/44/592352344.db2.gz QKWNGLVLCZKWRY-GOSISDBHSA-N 1 3 325.497 1.558 20 0 EDADHO CC(=O)N(C[C@@H]1CCCN1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915448 592370195 /nfs/dbraw/zinc/37/01/95/592370195.db2.gz YSDFXFYRMRJLSP-APWZRJJASA-N 1 3 347.507 1.321 20 0 EDADHO O=C(c1ccccc1O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904249 592372122 /nfs/dbraw/zinc/37/21/22/592372122.db2.gz SNAYCOCUZHSONQ-MQVJKMGUSA-N 1 3 329.444 1.681 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905051987 592380244 /nfs/dbraw/zinc/38/02/44/592380244.db2.gz YHUWHSKEOXKHEY-RBUKOAKNSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC000905051987 592380250 /nfs/dbraw/zinc/38/02/50/592380250.db2.gz YHUWHSKEOXKHEY-RBUKOAKNSA-N 1 3 336.476 1.519 20 0 EDADHO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)cc1 ZINC000903955627 592395312 /nfs/dbraw/zinc/39/53/12/592395312.db2.gz XSPQKKGTUSJDQD-TZMCWYRMSA-N 1 3 342.386 1.961 20 0 EDADHO CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1C ZINC000903980036 592400282 /nfs/dbraw/zinc/40/02/82/592400282.db2.gz DHOQOWRKYLKJKF-HDICACEKSA-N 1 3 331.508 1.920 20 0 EDADHO CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1C ZINC000903980036 592400286 /nfs/dbraw/zinc/40/02/86/592400286.db2.gz DHOQOWRKYLKJKF-HDICACEKSA-N 1 3 331.508 1.920 20 0 EDADHO CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1C ZINC000903980036 592400290 /nfs/dbraw/zinc/40/02/90/592400290.db2.gz DHOQOWRKYLKJKF-HDICACEKSA-N 1 3 331.508 1.920 20 0 EDADHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](O)C3(O)CCC3)CC2)cc1 ZINC000905073963 592403672 /nfs/dbraw/zinc/40/36/72/592403672.db2.gz XCFQVHXTJFDSKZ-LJQANCHMSA-N 1 3 348.487 1.773 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905175097 592454405 /nfs/dbraw/zinc/45/44/05/592454405.db2.gz MQEQRZBUYJKMFP-BBWFWOEESA-N 1 3 326.481 1.010 20 0 EDADHO O[C@H](CCC1(O)CCC1)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000905178178 592456504 /nfs/dbraw/zinc/45/65/04/592456504.db2.gz ZXXGCNPVBJFXIK-IXDOHACOSA-N 1 3 326.481 1.010 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C[C@@H](O)c2ccccc2)CCCO1 ZINC000905230961 592459348 /nfs/dbraw/zinc/45/93/48/592459348.db2.gz HQCSVVYOXYBYRI-NZSAHSFTSA-N 1 3 336.476 1.562 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C[C@@H](O)c2ccccc2)CCCO1 ZINC000905230961 592459353 /nfs/dbraw/zinc/45/93/53/592459353.db2.gz HQCSVVYOXYBYRI-NZSAHSFTSA-N 1 3 336.476 1.562 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502906 592546220 /nfs/dbraw/zinc/54/62/20/592546220.db2.gz LWWOQGYUOZKPMJ-PNKHAZJDSA-N 1 3 328.497 1.232 20 0 EDADHO C[C@@H](NC(=O)C1CN(C)CCN(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907286460 592584488 /nfs/dbraw/zinc/58/44/88/592584488.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 1 3 336.524 1.249 20 0 EDADHO C[C@@H](NC(=O)C1CN(C)CCN(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907286460 592584489 /nfs/dbraw/zinc/58/44/89/592584489.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 1 3 336.524 1.249 20 0 EDADHO CC1(C)CCN(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000905675905 592609001 /nfs/dbraw/zinc/60/90/01/592609001.db2.gz AAHWMCIZWAXZMS-FQEVSTJZSA-N 1 3 331.504 1.945 20 0 EDADHO CN(C)C(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc1 ZINC000905700794 592614528 /nfs/dbraw/zinc/61/45/28/592614528.db2.gz RTKMULRKWSBLNW-CALCHBBNSA-N 1 3 343.475 1.188 20 0 EDADHO CN(C)C(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc1 ZINC000905700794 592614530 /nfs/dbraw/zinc/61/45/30/592614530.db2.gz RTKMULRKWSBLNW-CALCHBBNSA-N 1 3 343.475 1.188 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000905734901 592632042 /nfs/dbraw/zinc/63/20/42/592632042.db2.gz XWYSBIXQFTULPV-SIXWZSSISA-N 1 3 342.443 1.038 20 0 EDADHO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000907446818 592659464 /nfs/dbraw/zinc/65/94/64/592659464.db2.gz KUKOXFJHQAMZQT-SNRMKQJTSA-N 1 3 333.476 1.641 20 0 EDADHO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000907446818 592659467 /nfs/dbraw/zinc/65/94/67/592659467.db2.gz KUKOXFJHQAMZQT-SNRMKQJTSA-N 1 3 333.476 1.641 20 0 EDADHO C[C@H](O)CN1CCC(C[N@H+](C)CC[S@](=O)C(F)(F)F)CC1 ZINC000905932694 592687342 /nfs/dbraw/zinc/68/73/42/592687342.db2.gz NXKJIQDBEUGERS-MQJDWESPSA-N 1 3 330.416 1.280 20 0 EDADHO C[C@H](O)CN1CCC(C[N@@H+](C)CC[S@](=O)C(F)(F)F)CC1 ZINC000905932694 592687345 /nfs/dbraw/zinc/68/73/45/592687345.db2.gz NXKJIQDBEUGERS-MQJDWESPSA-N 1 3 330.416 1.280 20 0 EDADHO CCN1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821277 /nfs/dbraw/zinc/82/12/77/592821277.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 1 3 345.487 1.566 20 0 EDADHO CCN1CCCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821279 /nfs/dbraw/zinc/82/12/79/592821279.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 1 3 345.487 1.566 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC000910936898 592902253 /nfs/dbraw/zinc/90/22/53/592902253.db2.gz ZZZZQXANOMYGEE-UHFFFAOYSA-N 1 3 338.540 1.735 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720901 592988039 /nfs/dbraw/zinc/98/80/39/592988039.db2.gz KDIVOWXFZORXKS-NLZINVLXSA-N 1 3 331.460 1.980 20 0 EDADHO N[C@H](CC(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccc(Br)cc1 ZINC000911733964 592992406 /nfs/dbraw/zinc/99/24/06/592992406.db2.gz GNDNPEXGLWSIGU-JSGCOSHPSA-N 1 3 340.265 1.516 20 0 EDADHO C[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817910525 593647812 /nfs/dbraw/zinc/64/78/12/593647812.db2.gz BDMCIRUOUXBNGG-AAEUAGOBSA-N 1 3 339.452 1.371 20 0 EDADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2)C1=O ZINC000817929514 593649660 /nfs/dbraw/zinc/64/96/60/593649660.db2.gz PLBVDBUBUUIPTE-GPMSIDNRSA-N 1 3 342.443 1.881 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cn1 ZINC000819174100 593742770 /nfs/dbraw/zinc/74/27/70/593742770.db2.gz OJCXUSOOEGLKLY-RCCFBDPRSA-N 1 3 337.439 1.612 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cn1 ZINC000819174098 593742878 /nfs/dbraw/zinc/74/28/78/593742878.db2.gz OJCXUSOOEGLKLY-OKZBNKHCSA-N 1 3 337.439 1.612 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CCN(C)CC1 ZINC000819219675 593744890 /nfs/dbraw/zinc/74/48/90/593744890.db2.gz FOMQTYPJPLSKLG-GUYCJALGSA-N 1 3 338.473 1.364 20 0 EDADHO COC[C@@]1(c2nc(-c3ccccc3OCCN(C)C)no2)CC[NH2+]C1 ZINC000822807890 594103764 /nfs/dbraw/zinc/10/37/64/594103764.db2.gz JWXRLOOXGLWRRA-GOSISDBHSA-N 1 3 346.431 1.555 20 0 EDADHO O=C(N1CCCN(CCCc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000828217938 594367320 /nfs/dbraw/zinc/36/73/20/594367320.db2.gz RUEZNNKHWGQDSJ-IBGZPJMESA-N 1 3 333.451 1.855 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000841017928 594839606 /nfs/dbraw/zinc/83/96/06/594839606.db2.gz LKRWJLDFVCAGOK-QAPCUYQASA-N 1 3 345.491 1.948 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CCCCC1 ZINC000841021086 594840807 /nfs/dbraw/zinc/84/08/07/594840807.db2.gz ZGFVNKJXUVZBRJ-ZDUSSCGKSA-N 1 3 330.432 1.219 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000841100400 594850783 /nfs/dbraw/zinc/85/07/83/594850783.db2.gz XOVMZKYBZQQRAD-IEBWSBKVSA-N 1 3 347.459 1.269 20 0 EDADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100087 594850842 /nfs/dbraw/zinc/85/08/42/594850842.db2.gz TZLVUWUWEWGILI-PKOBYXMFSA-N 1 3 341.459 1.986 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000841790560 594953532 /nfs/dbraw/zinc/95/35/32/594953532.db2.gz FZNKPXQALZBCLE-RRQGHBQHSA-N 1 3 332.448 1.369 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841845939 594963750 /nfs/dbraw/zinc/96/37/50/594963750.db2.gz CDMMLZBNNCVNSW-ZDUSSCGKSA-N 1 3 333.432 1.922 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2CNCC3)CC[C@H]1c1ccc(F)cc1 ZINC000842513333 595124764 /nfs/dbraw/zinc/12/47/64/595124764.db2.gz BHFGVEYKHFIJEF-DZGCQCFKSA-N 1 3 343.406 1.152 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NCCCN1CCc2ccccc2C1 ZINC000844172287 595290917 /nfs/dbraw/zinc/29/09/17/595290917.db2.gz STIPIMGWMXUSKI-GOSISDBHSA-N 1 3 331.460 1.320 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000847409294 595413554 /nfs/dbraw/zinc/41/35/54/595413554.db2.gz SCIUECLBYCIGDB-ROUUACIJSA-N 1 3 331.460 1.384 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)ccn1 ZINC000848622898 595418711 /nfs/dbraw/zinc/41/87/11/595418711.db2.gz BYOQCBPRBDJETF-KBXCAEBGSA-N 1 3 343.431 1.929 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)CC(C)C)CC2)CC1 ZINC000847576212 595451228 /nfs/dbraw/zinc/45/12/28/595451228.db2.gz GMDCGZKQECWDBC-GOSISDBHSA-N 1 3 339.524 1.706 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059804 595476782 /nfs/dbraw/zinc/47/67/82/595476782.db2.gz OQFNRUASVIORNX-GJZGRUSLSA-N 1 3 338.427 1.164 20 0 EDADHO CCOCCCNC(=[NH2+])NCCCN1CCN(c2ccncc2)CC1 ZINC000849073140 595478458 /nfs/dbraw/zinc/47/84/58/595478458.db2.gz MPRSYMGVOTYMLI-UHFFFAOYSA-N 1 3 348.495 1.134 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774220 595537637 /nfs/dbraw/zinc/53/76/37/595537637.db2.gz QNNNKFCOIKYQCI-MSOLQXFVSA-N 1 3 345.487 1.954 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCCN2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486026 595547760 /nfs/dbraw/zinc/54/77/60/595547760.db2.gz DOMKBQWYWKPQQF-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NCCN2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486026 595547764 /nfs/dbraw/zinc/54/77/64/595547764.db2.gz DOMKBQWYWKPQQF-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO CCC[NH+]1CCC(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488477 595549198 /nfs/dbraw/zinc/54/91/98/595549198.db2.gz OQWJPDNAFARXRL-ZWKOTPCHSA-N 1 3 347.507 1.446 20 0 EDADHO CCC[NH+]1CCC(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849488472 595549379 /nfs/dbraw/zinc/54/93/79/595549379.db2.gz OQWJPDNAFARXRL-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612371 595596435 /nfs/dbraw/zinc/59/64/35/595596435.db2.gz KNUFQQYYDLETIH-SJORKVTESA-N 1 3 349.523 1.738 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852888415 595600458 /nfs/dbraw/zinc/60/04/58/595600458.db2.gz JVGCEZPALJZMFD-WBVHZDCISA-N 1 3 346.431 1.052 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1C(F)(F)F ZINC000855345842 595679973 /nfs/dbraw/zinc/67/99/73/595679973.db2.gz IMEYKTHBEYUJBC-NSHDSACASA-N 1 3 349.401 1.441 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1C(F)(F)F ZINC000855345842 595679976 /nfs/dbraw/zinc/67/99/76/595679976.db2.gz IMEYKTHBEYUJBC-NSHDSACASA-N 1 3 349.401 1.441 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccccc1Cl ZINC000855346162 595680876 /nfs/dbraw/zinc/68/08/76/595680876.db2.gz PQCPZGTZIZHKCH-XJKSGUPXSA-N 1 3 341.883 1.762 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccccc1Cl ZINC000855346162 595680879 /nfs/dbraw/zinc/68/08/79/595680879.db2.gz PQCPZGTZIZHKCH-XJKSGUPXSA-N 1 3 341.883 1.762 20 0 EDADHO Cn1cc(CNCCCN2CCC[N@H+](C)CC2)c(Br)n1 ZINC000858126706 595707095 /nfs/dbraw/zinc/70/70/95/595707095.db2.gz GZKLZTZTXBKESR-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO Cn1cc(CNCCCN2CCC[N@@H+](C)CC2)c(Br)n1 ZINC000858126706 595707098 /nfs/dbraw/zinc/70/70/98/595707098.db2.gz GZKLZTZTXBKESR-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO CCOC(=O)N1CCC([C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956704 595985353 /nfs/dbraw/zinc/98/53/53/595985353.db2.gz ZVYXHIMMNJFGMB-GDBMZVCRSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851956704 595985357 /nfs/dbraw/zinc/98/53/57/595985357.db2.gz ZVYXHIMMNJFGMB-GDBMZVCRSA-N 1 3 329.485 1.534 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868229747 596736084 /nfs/dbraw/zinc/73/60/84/596736084.db2.gz UNTLVORMKBGBLL-DLBZAZTESA-N 1 3 344.459 1.382 20 0 EDADHO CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000872186866 596826086 /nfs/dbraw/zinc/82/60/86/596826086.db2.gz APUXISNFFJUBAO-INIZCTEOSA-N 1 3 338.496 1.051 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000872255310 596856625 /nfs/dbraw/zinc/85/66/25/596856625.db2.gz BBYLVLHSUDVGSH-OKZBNKHCSA-N 1 3 327.428 1.931 20 0 EDADHO C[C@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257581 596857367 /nfs/dbraw/zinc/85/73/67/596857367.db2.gz UBYYVDIWJCKUIT-YYQUZTFQSA-N 1 3 333.407 1.796 20 0 EDADHO C[C@@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccc(F)cc1 ZINC000872257576 596857470 /nfs/dbraw/zinc/85/74/70/596857470.db2.gz UBYYVDIWJCKUIT-DXEWXGHRSA-N 1 3 333.407 1.796 20 0 EDADHO C[C@@H](CCc1cccnc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000866373271 596868723 /nfs/dbraw/zinc/86/87/23/596868723.db2.gz MOQSGQJVAVYLDU-SFHVURJKSA-N 1 3 346.519 1.789 20 0 EDADHO CC1=NO[C@@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000875977047 597054072 /nfs/dbraw/zinc/05/40/72/597054072.db2.gz PHELTNUFDBFSPP-MRXNPFEDSA-N 1 3 337.468 1.009 20 0 EDADHO CN1CCCN(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000876075871 597080816 /nfs/dbraw/zinc/08/08/16/597080816.db2.gz XNRZQOAEFIZUKE-UHFFFAOYSA-N 1 3 344.503 1.997 20 0 EDADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000874467736 597093013 /nfs/dbraw/zinc/09/30/13/597093013.db2.gz OQCYMUMCSFPWME-QGZVFWFLSA-N 1 3 335.492 1.622 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000873055370 597173690 /nfs/dbraw/zinc/17/36/90/597173690.db2.gz HYPXTLZQZHMZGA-GASCZTMLSA-N 1 3 337.464 1.791 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)c1c(CN)cnn1C)c1ccccc1 ZINC000876503432 597223799 /nfs/dbraw/zinc/22/37/99/597223799.db2.gz JRJWOVYJUGCKCI-MRXNPFEDSA-N 1 3 329.448 1.692 20 0 EDADHO COC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C1CCOCC1 ZINC000873245402 597237863 /nfs/dbraw/zinc/23/78/63/597237863.db2.gz ZWAYXSSZHVHECU-SFHVURJKSA-N 1 3 345.447 1.257 20 0 EDADHO CCN1CCC(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000875005862 597241367 /nfs/dbraw/zinc/24/13/67/597241367.db2.gz XHJUDQSQYVHXAJ-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876765913 597330495 /nfs/dbraw/zinc/33/04/95/597330495.db2.gz WQIPQMKPBAZJBG-CABCVRRESA-N 1 3 343.512 1.802 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876850676 597358895 /nfs/dbraw/zinc/35/88/95/597358895.db2.gz ZXURSODPZZQCPI-BBRMVZONSA-N 1 3 343.393 1.803 20 0 EDADHO CN(C)C[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948485 597394178 /nfs/dbraw/zinc/39/41/78/597394178.db2.gz MVPWAZCNGJTXMG-INIZCTEOSA-N 1 3 336.505 1.702 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877033301 597417409 /nfs/dbraw/zinc/41/74/09/597417409.db2.gz VYCCEWPXITWREN-KVSKMBFKSA-N 1 3 343.471 1.898 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000877032144 597417530 /nfs/dbraw/zinc/41/75/30/597417530.db2.gz ZOSWKTKXENLTCE-SFHVURJKSA-N 1 3 339.524 1.455 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285335 597486907 /nfs/dbraw/zinc/48/69/07/597486907.db2.gz ZLZZZSBKXFLXLI-KZNAEPCWSA-N 1 3 328.460 1.647 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cccn1C1CC[NH2+]CC1 ZINC000877347713 597498099 /nfs/dbraw/zinc/49/80/99/597498099.db2.gz OPZXUQXXCQRXHI-QGZVFWFLSA-N 1 3 338.455 1.857 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448347 597517044 /nfs/dbraw/zinc/51/70/44/597517044.db2.gz DNSYCWLYYDJRFB-CWRNSKLLSA-N 1 3 339.480 1.413 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Cl)nn1 ZINC000877525342 597530725 /nfs/dbraw/zinc/53/07/25/597530725.db2.gz ZXCLCISRJPNYQQ-HNNXBMFYSA-N 1 3 325.888 1.978 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(Cl)nn1 ZINC000877525342 597530726 /nfs/dbraw/zinc/53/07/26/597530726.db2.gz ZXCLCISRJPNYQQ-HNNXBMFYSA-N 1 3 325.888 1.978 20 0 EDADHO C[C@@H](CCc1cccnc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000877548669 597534106 /nfs/dbraw/zinc/53/41/06/597534106.db2.gz QTXCOQIJUDGDIG-KRWDZBQOSA-N 1 3 332.492 1.985 20 0 EDADHO C[NH+]1CCC(NC(=O)CN[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000878370636 597598069 /nfs/dbraw/zinc/59/80/69/597598069.db2.gz ZEEBWZFIXJBGPD-APWZRJJASA-N 1 3 345.487 1.954 20 0 EDADHO COC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCOC1 ZINC000883191355 597681924 /nfs/dbraw/zinc/68/19/24/597681924.db2.gz ZRSOLKDUYFNAMU-JZXOWHBKSA-N 1 3 326.481 1.519 20 0 EDADHO C[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000883374170 597727620 /nfs/dbraw/zinc/72/76/20/597727620.db2.gz RUTADRMIENHXSJ-FRFSOERESA-N 1 3 340.489 1.853 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424063 597741826 /nfs/dbraw/zinc/74/18/26/597741826.db2.gz DRQKQPJJBFGLFQ-QWHCGFSZSA-N 1 3 337.386 1.493 20 0 EDADHO Cc1nc2nc(C)cc(N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978029 597825030 /nfs/dbraw/zinc/82/50/30/597825030.db2.gz WGBRNYUKNYOQJH-CQSZACIVSA-N 1 3 329.452 1.322 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879256257 597866676 /nfs/dbraw/zinc/86/66/76/597866676.db2.gz ZFXGHIJFNAFJNJ-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879256257 597866678 /nfs/dbraw/zinc/86/66/78/597866678.db2.gz ZFXGHIJFNAFJNJ-UHFFFAOYSA-N 1 3 338.540 1.785 20 0 EDADHO COCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218800 598032209 /nfs/dbraw/zinc/03/22/09/598032209.db2.gz YNICHSGTENIBQN-NXHRZFHOSA-N 1 3 333.476 1.862 20 0 EDADHO COCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000884218800 598032215 /nfs/dbraw/zinc/03/22/15/598032215.db2.gz YNICHSGTENIBQN-NXHRZFHOSA-N 1 3 333.476 1.862 20 0 EDADHO Cc1ncc(CNC[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014314 699966966 /nfs/dbraw/zinc/96/69/66/699966966.db2.gz KTOJFYTXWODUGT-CVEARBPZSA-N 1 3 346.475 1.986 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCN1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243824 695303474 /nfs/dbraw/zinc/30/34/74/695303474.db2.gz UTABGROSJMLNEJ-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995018071 700002661 /nfs/dbraw/zinc/00/26/61/700002661.db2.gz XTDKBJWYJRWXCI-CVEARBPZSA-N 1 3 345.491 1.423 20 0 EDADHO O=C(CN1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@H]2C1 ZINC000992907871 695444732 /nfs/dbraw/zinc/44/47/32/695444732.db2.gz OUAUEIHGRNTACO-HRCADAONSA-N 1 3 348.516 1.956 20 0 EDADHO Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000940008621 700110387 /nfs/dbraw/zinc/11/03/87/700110387.db2.gz WAVPGYFZSMBPJC-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000940124492 700258100 /nfs/dbraw/zinc/25/81/00/700258100.db2.gz FJUXREHXHNYSPX-SJORKVTESA-N 1 3 335.492 1.620 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603757 701593644 /nfs/dbraw/zinc/59/36/44/701593644.db2.gz NZMITYSBXXFTOV-MJGOQNOKSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603757 701593645 /nfs/dbraw/zinc/59/36/45/701593645.db2.gz NZMITYSBXXFTOV-MJGOQNOKSA-N 1 3 348.535 1.632 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC000939394101 699544370 /nfs/dbraw/zinc/54/43/70/699544370.db2.gz AOZRTWKQQRFOGO-MAUKXSAKSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941677099 701615755 /nfs/dbraw/zinc/61/57/55/701615755.db2.gz KTRIDIJUUUKFJY-IRXDYDNUSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000941668013 701622117 /nfs/dbraw/zinc/62/21/17/701622117.db2.gz BDUYSBMLONAWKS-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000940154291 700284665 /nfs/dbraw/zinc/28/46/65/700284665.db2.gz URWWEFMMBVXEEP-UHFFFAOYSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327489 700504212 /nfs/dbraw/zinc/50/42/12/700504212.db2.gz FGPNCZTXRLWNPI-BBRMVZONSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327489 700504213 /nfs/dbraw/zinc/50/42/13/700504213.db2.gz FGPNCZTXRLWNPI-BBRMVZONSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168163 701658611 /nfs/dbraw/zinc/65/86/11/701658611.db2.gz MVFUWFHYRYMNTL-GJZGRUSLSA-N 1 3 332.448 1.453 20 0 EDADHO CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000940461894 700665504 /nfs/dbraw/zinc/66/55/04/700665504.db2.gz QLIDLUXOGDGUAN-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736784 700877735 /nfs/dbraw/zinc/87/77/35/700877735.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 1 3 325.497 1.722 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C(C)(C)C1 ZINC000940736784 700877737 /nfs/dbraw/zinc/87/77/37/700877737.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 1 3 325.497 1.722 20 0 EDADHO Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC000995099857 700886031 /nfs/dbraw/zinc/88/60/31/700886031.db2.gz ARDREPQIESWRRV-HOTGVXAUSA-N 1 3 347.507 1.527 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918104 700995708 /nfs/dbraw/zinc/99/57/08/700995708.db2.gz KSYIPBRPRWZVDI-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918104 700995710 /nfs/dbraw/zinc/99/57/10/700995710.db2.gz KSYIPBRPRWZVDI-IRXDYDNUSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccsc3)C2)C1 ZINC001031922708 701089716 /nfs/dbraw/zinc/08/97/16/701089716.db2.gz IRONKVTVPRJYFM-MRXNPFEDSA-N 1 3 337.489 1.405 20 0 EDADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2CN(Cc3ccsc3)C2)C1 ZINC001031922708 701089718 /nfs/dbraw/zinc/08/97/18/701089718.db2.gz IRONKVTVPRJYFM-MRXNPFEDSA-N 1 3 337.489 1.405 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001032205849 702108047 /nfs/dbraw/zinc/10/80/47/702108047.db2.gz KIMDYHOTPJRWNL-HNNXBMFYSA-N 1 3 329.435 1.954 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)c1 ZINC001032207436 702190141 /nfs/dbraw/zinc/19/01/41/702190141.db2.gz QZYVQHVECVAWRH-KRWDZBQOSA-N 1 3 345.487 1.836 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)N(C)C ZINC000996246161 702649871 /nfs/dbraw/zinc/64/98/71/702649871.db2.gz KNQFYRZNKNYZDF-IAGOWNOFSA-N 1 3 349.523 1.375 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302682 702694758 /nfs/dbraw/zinc/69/47/58/702694758.db2.gz YSVQHJLAZCOQSE-DOTOQJQBSA-N 1 3 347.507 1.131 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519635 702855509 /nfs/dbraw/zinc/85/55/09/702855509.db2.gz PKPOCYAXZRZPKM-DZGCQCFKSA-N 1 3 336.505 1.812 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519635 702855512 /nfs/dbraw/zinc/85/55/12/702855512.db2.gz PKPOCYAXZRZPKM-DZGCQCFKSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1nccnc1CNC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562761 702876704 /nfs/dbraw/zinc/87/67/04/702876704.db2.gz WYLHNLSLGBMDSL-QGZVFWFLSA-N 1 3 343.475 1.207 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614407 702919730 /nfs/dbraw/zinc/91/97/30/702919730.db2.gz NERPOMVAJPRVHL-HOCLYGCPSA-N 1 3 334.439 1.499 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614407 702919732 /nfs/dbraw/zinc/91/97/32/702919732.db2.gz NERPOMVAJPRVHL-HOCLYGCPSA-N 1 3 334.439 1.499 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CC1 ZINC000996674226 702969499 /nfs/dbraw/zinc/96/94/99/702969499.db2.gz BEJNIFULYKFONU-IRXDYDNUSA-N 1 3 337.508 1.722 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCc2ccns2)CC1)C1CC1 ZINC000996676239 702975306 /nfs/dbraw/zinc/97/53/06/702975306.db2.gz GJSPKKCMJXRWSC-MRXNPFEDSA-N 1 3 336.505 1.606 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996678489 702977216 /nfs/dbraw/zinc/97/72/16/702977216.db2.gz NWICCYRYPHINAL-SFHVURJKSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cn1 ZINC000996689435 702987040 /nfs/dbraw/zinc/98/70/40/702987040.db2.gz DMMMQVSQSSXIOG-KRWDZBQOSA-N 1 3 333.480 1.452 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000996978234 703233583 /nfs/dbraw/zinc/23/35/83/703233583.db2.gz NFXGQDLRJLJWFF-DOTOQJQBSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998344 703255308 /nfs/dbraw/zinc/25/53/08/703255308.db2.gz IKDOGCOFASIGPK-CQSZACIVSA-N 1 3 336.505 1.751 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000997001269 703258352 /nfs/dbraw/zinc/25/83/52/703258352.db2.gz TZZMVDHOJWJEPO-MRXNPFEDSA-N 1 3 347.507 1.510 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005311 703262244 /nfs/dbraw/zinc/26/22/44/703262244.db2.gz DHHWKBAHWGWRAY-YJBOKZPZSA-N 1 3 347.507 1.742 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005311 703262247 /nfs/dbraw/zinc/26/22/47/703262247.db2.gz DHHWKBAHWGWRAY-YJBOKZPZSA-N 1 3 347.507 1.742 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)s1 ZINC000997006866 703264144 /nfs/dbraw/zinc/26/41/44/703264144.db2.gz HCGPQHHOPDBEGI-DOMZBBRYSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)s1 ZINC000997006866 703264145 /nfs/dbraw/zinc/26/41/45/703264145.db2.gz HCGPQHHOPDBEGI-DOMZBBRYSA-N 1 3 336.505 1.730 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000997307093 703565499 /nfs/dbraw/zinc/56/54/99/703565499.db2.gz OMHFZGUJGLKSFX-UHFFFAOYSA-N 1 3 339.871 1.213 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040430325 703708245 /nfs/dbraw/zinc/70/82/45/703708245.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040430325 703708246 /nfs/dbraw/zinc/70/82/46/703708246.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032529442 704025347 /nfs/dbraw/zinc/02/53/47/704025347.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 1 3 347.503 1.571 20 0 EDADHO CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001032529442 704025350 /nfs/dbraw/zinc/02/53/50/704025350.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 1 3 347.503 1.571 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999289022 706783489 /nfs/dbraw/zinc/78/34/89/706783489.db2.gz DNDVTACPKTYGOV-FHERZECASA-N 1 3 348.495 1.016 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC(NCc3cnnn3C)C2)C1 ZINC000999289022 706783492 /nfs/dbraw/zinc/78/34/92/706783492.db2.gz DNDVTACPKTYGOV-FHERZECASA-N 1 3 348.495 1.016 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999301205 706804014 /nfs/dbraw/zinc/80/40/14/706804014.db2.gz CHFGPVRYQOFGMU-NVXWUHKLSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999301205 706804016 /nfs/dbraw/zinc/80/40/16/706804016.db2.gz CHFGPVRYQOFGMU-NVXWUHKLSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459773 704453526 /nfs/dbraw/zinc/45/35/26/704453526.db2.gz WNJVFLNWADGJOX-WBVHZDCISA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459773 704453527 /nfs/dbraw/zinc/45/35/27/704453527.db2.gz WNJVFLNWADGJOX-WBVHZDCISA-N 1 3 337.508 1.555 20 0 EDADHO C[C@H]([NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1cnccn1 ZINC000997822963 704742740 /nfs/dbraw/zinc/74/27/40/704742740.db2.gz IAFOEJFDXUPDTN-HNNXBMFYSA-N 1 3 345.491 1.850 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CC1 ZINC000997824495 704744008 /nfs/dbraw/zinc/74/40/08/704744008.db2.gz SZHBSXCZUQWBQR-GOSISDBHSA-N 1 3 337.508 1.581 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2cnccn2)CC1)N(C)C ZINC000998046541 705243166 /nfs/dbraw/zinc/24/31/66/705243166.db2.gz JPXHQZKSTGQJIQ-CRAIPNDOSA-N 1 3 347.507 1.952 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998081285 705302493 /nfs/dbraw/zinc/30/24/93/705302493.db2.gz IGHSONUXZUXPIA-INIZCTEOSA-N 1 3 330.476 1.752 20 0 EDADHO CCn1cc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000998082491 705309134 /nfs/dbraw/zinc/30/91/34/705309134.db2.gz PWKZOVLEKPSAMJ-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1cc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000998082491 705309136 /nfs/dbraw/zinc/30/91/36/705309136.db2.gz PWKZOVLEKPSAMJ-HNNXBMFYSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998082651 705310175 /nfs/dbraw/zinc/31/01/75/705310175.db2.gz RVOGCTLMBDLEEG-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998082651 705310179 /nfs/dbraw/zinc/31/01/79/705310179.db2.gz RVOGCTLMBDLEEG-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286136 705681231 /nfs/dbraw/zinc/68/12/31/705681231.db2.gz GGQFEHOIMAKYOD-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998286136 705681234 /nfs/dbraw/zinc/68/12/34/705681234.db2.gz GGQFEHOIMAKYOD-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO COc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000998536448 705970229 /nfs/dbraw/zinc/97/02/29/705970229.db2.gz UXTVIVRWQILDEK-FAFZWHIHSA-N 1 3 345.487 1.911 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cn1 ZINC000998724538 706156458 /nfs/dbraw/zinc/15/64/58/706156458.db2.gz UNKTWHXDBSBZCR-CVEARBPZSA-N 1 3 332.448 1.265 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998902407 706339141 /nfs/dbraw/zinc/33/91/41/706339141.db2.gz VAXFDUUHBCSLSV-HWOWSKLDSA-N 1 3 348.495 1.157 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC(NCc2cnnn2C)C1 ZINC000998902407 706339144 /nfs/dbraw/zinc/33/91/44/706339144.db2.gz VAXFDUUHBCSLSV-HWOWSKLDSA-N 1 3 348.495 1.157 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)ccn1 ZINC000999379749 706874013 /nfs/dbraw/zinc/87/40/13/706874013.db2.gz ZRFIOPZFSBQOOX-SJLPKXTDSA-N 1 3 346.475 1.511 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999403187 706911841 /nfs/dbraw/zinc/91/18/41/706911841.db2.gz VAZXNFPULFPGPG-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cn1 ZINC000999403187 706911842 /nfs/dbraw/zinc/91/18/42/706911842.db2.gz VAZXNFPULFPGPG-IAGOWNOFSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408393 706918146 /nfs/dbraw/zinc/91/81/46/706918146.db2.gz KALXZQNTJHNDDB-NFOMZHRRSA-N 1 3 336.505 1.606 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946800575 707452041 /nfs/dbraw/zinc/45/20/41/707452041.db2.gz FOCHQOVKLAWQEF-JZXOWHBKSA-N 1 3 346.475 1.692 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946800575 707452043 /nfs/dbraw/zinc/45/20/43/707452043.db2.gz FOCHQOVKLAWQEF-JZXOWHBKSA-N 1 3 346.475 1.692 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999871617 707514881 /nfs/dbraw/zinc/51/48/81/707514881.db2.gz WLIBYCWCXFKHFZ-FAEJEUNOSA-N 1 3 345.487 1.977 20 0 EDADHO Cc1cccc(OCCN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033663468 708443468 /nfs/dbraw/zinc/44/34/68/708443468.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 1 3 345.487 1.858 20 0 EDADHO Cc1cccc(OCCN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033663468 708443469 /nfs/dbraw/zinc/44/34/69/708443469.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 1 3 345.487 1.858 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037995 708559250 /nfs/dbraw/zinc/55/92/50/708559250.db2.gz SPDMRGIWOZKIHA-QGZVFWFLSA-N 1 3 325.497 1.462 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001033833990 708860610 /nfs/dbraw/zinc/86/06/10/708860610.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 1 3 347.507 1.536 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001033833990 708860613 /nfs/dbraw/zinc/86/06/13/708860613.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 1 3 347.507 1.536 20 0 EDADHO CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCN(CCCF)C1 ZINC001033837684 708866859 /nfs/dbraw/zinc/86/68/59/708866859.db2.gz NSEBVAOPPYGDJD-HNNXBMFYSA-N 1 3 339.459 1.341 20 0 EDADHO CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907990 709040755 /nfs/dbraw/zinc/04/07/55/709040755.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 1 3 335.492 1.573 20 0 EDADHO CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907990 709040758 /nfs/dbraw/zinc/04/07/58/709040758.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001033953410 709134652 /nfs/dbraw/zinc/13/46/52/709134652.db2.gz MMUKLWXADVKVAI-APWZRJJASA-N 1 3 347.503 1.708 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790871 709398694 /nfs/dbraw/zinc/39/86/94/709398694.db2.gz BDMXKADSSZULNK-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1)N1CCCC1 ZINC001003423203 710338634 /nfs/dbraw/zinc/33/86/34/710338634.db2.gz ASTBBCHKTLMBJT-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)NC1CCN(CCn2cccn2)CC1)[NH+]1CCCC1 ZINC001003424140 710339394 /nfs/dbraw/zinc/33/93/94/710339394.db2.gz QFWHBBUCZMJJPF-UHFFFAOYSA-N 1 3 333.480 1.338 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(CCn2cccn2)CC1 ZINC001005661689 710873847 /nfs/dbraw/zinc/87/38/47/710873847.db2.gz WXLOTXROBVHCSF-UHFFFAOYSA-N 1 3 345.491 1.434 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734070 710915826 /nfs/dbraw/zinc/91/58/26/710915826.db2.gz JDBLXNSFSQDAIT-XSLAGTTESA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737003 710948070 /nfs/dbraw/zinc/94/80/70/710948070.db2.gz GMQOTINYWJSGCO-KBAYOESNSA-N 1 3 337.508 1.914 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034776730 711054125 /nfs/dbraw/zinc/05/41/25/711054125.db2.gz YVEJLPMHMVTHIG-ULQDDVLXSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034776730 711054127 /nfs/dbraw/zinc/05/41/27/711054127.db2.gz YVEJLPMHMVTHIG-ULQDDVLXSA-N 1 3 345.491 1.644 20 0 EDADHO O=C(NC1CCN(CCOc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001003983511 711182972 /nfs/dbraw/zinc/18/29/72/711182972.db2.gz LQYIADLJHJCTSG-UHFFFAOYSA-N 1 3 343.471 1.742 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnnn1CC ZINC001034956186 711425426 /nfs/dbraw/zinc/42/54/26/711425426.db2.gz PHNKQHOMGAFEBO-WBVHZDCISA-N 1 3 348.495 1.253 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnnn1CC ZINC001034956186 711425428 /nfs/dbraw/zinc/42/54/28/711425428.db2.gz PHNKQHOMGAFEBO-WBVHZDCISA-N 1 3 348.495 1.253 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc3c1OCO3)C2 ZINC000922388324 711431339 /nfs/dbraw/zinc/43/13/39/711431339.db2.gz OYEBFLJALWKCIB-RGCFKVTRSA-N 1 3 332.444 1.985 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc3c1OCO3)C2 ZINC000922388324 711431340 /nfs/dbraw/zinc/43/13/40/711431340.db2.gz OYEBFLJALWKCIB-RGCFKVTRSA-N 1 3 332.444 1.985 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333503 282274127 /nfs/dbraw/zinc/27/41/27/282274127.db2.gz YPWQVLWJXSQTAY-INMHGKMJSA-N 1 3 340.537 1.549 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCSC1 ZINC000353333503 282274130 /nfs/dbraw/zinc/27/41/30/282274130.db2.gz YPWQVLWJXSQTAY-INMHGKMJSA-N 1 3 340.537 1.549 20 0 EDADHO CC(C)C(=O)Nc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000559582037 306256720 /nfs/dbraw/zinc/25/67/20/306256720.db2.gz QCSWQYSXLZBTNI-UHFFFAOYSA-N 1 3 349.479 1.242 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000352922387 539929060 /nfs/dbraw/zinc/92/90/60/539929060.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000352922387 539929062 /nfs/dbraw/zinc/92/90/62/539929062.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000352922387 539929065 /nfs/dbraw/zinc/92/90/65/539929065.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 1 3 325.497 1.014 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)C[C@H](C)O1 ZINC000352922387 539929069 /nfs/dbraw/zinc/92/90/69/539929069.db2.gz REGBFPXYDWKEPZ-GBGWRMMESA-N 1 3 325.497 1.014 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562949526 306313416 /nfs/dbraw/zinc/31/34/16/306313416.db2.gz HRWJPDSZTWMGGU-PKOBYXMFSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562949526 306313417 /nfs/dbraw/zinc/31/34/17/306313417.db2.gz HRWJPDSZTWMGGU-PKOBYXMFSA-N 1 3 331.460 1.176 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000563200805 306322923 /nfs/dbraw/zinc/32/29/23/306322923.db2.gz DMTOQDJJXPYIBV-RYTJFDOTSA-N 1 3 341.496 1.279 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342689877 291048552 /nfs/dbraw/zinc/04/85/52/291048552.db2.gz FMFXRQRIJQFQKX-HOTGVXAUSA-N 1 3 339.480 1.382 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737725 291075348 /nfs/dbraw/zinc/07/53/48/291075348.db2.gz OCFDRHCIJNVOMM-YOEHRIQHSA-N 1 3 330.476 1.525 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000563545909 306338254 /nfs/dbraw/zinc/33/82/54/306338254.db2.gz SJYQIARPDIRVEE-GOSISDBHSA-N 1 3 345.491 1.067 20 0 EDADHO CN(CCNS(C)(=O)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821029 138290586 /nfs/dbraw/zinc/29/05/86/138290586.db2.gz GADSLCKQLGMGFR-UHFFFAOYSA-N 1 3 340.493 1.169 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000124262774 138325487 /nfs/dbraw/zinc/32/54/87/138325487.db2.gz ISBAAFPKLBYUMG-MAUKXSAKSA-N 1 3 335.492 1.478 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)[C@H]1C ZINC000373395219 291125235 /nfs/dbraw/zinc/12/52/35/291125235.db2.gz PYYGLXADNMVYAZ-OVWQWFNUSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@](O)(CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560873 306360772 /nfs/dbraw/zinc/36/07/72/306360772.db2.gz HEHRWLGACUTJKD-GJZGRUSLSA-N 1 3 332.366 1.656 20 0 EDADHO C[C@](O)(CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560873 306360773 /nfs/dbraw/zinc/36/07/73/306360773.db2.gz HEHRWLGACUTJKD-GJZGRUSLSA-N 1 3 332.366 1.656 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000564949355 306371044 /nfs/dbraw/zinc/37/10/44/306371044.db2.gz HYNBUTOLHRPMCV-FUHWJXTLSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496585079 299303437 /nfs/dbraw/zinc/30/34/37/299303437.db2.gz GYMQFFBPBFREPX-RRFJBIMHSA-N 1 3 329.485 1.677 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251310 296018003 /nfs/dbraw/zinc/01/80/03/296018003.db2.gz IQRCHNIQUOICSZ-SFHVURJKSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCC1 ZINC000565586383 306387126 /nfs/dbraw/zinc/38/71/26/306387126.db2.gz IOCYHTQYGMSHTA-CQSZACIVSA-N 1 3 344.459 1.119 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694764 304128244 /nfs/dbraw/zinc/12/82/44/304128244.db2.gz NRUMTZDZCRYMCI-VQIMIIECSA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694764 304128246 /nfs/dbraw/zinc/12/82/46/304128246.db2.gz NRUMTZDZCRYMCI-VQIMIIECSA-N 1 3 345.487 1.556 20 0 EDADHO Cc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782806 304140112 /nfs/dbraw/zinc/14/01/12/304140112.db2.gz OWOYBTZUCBMDCX-KRWDZBQOSA-N 1 3 341.459 1.763 20 0 EDADHO Cc1cc(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782806 304140114 /nfs/dbraw/zinc/14/01/14/304140114.db2.gz OWOYBTZUCBMDCX-KRWDZBQOSA-N 1 3 341.459 1.763 20 0 EDADHO Cc1cc(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782806 304140116 /nfs/dbraw/zinc/14/01/16/304140116.db2.gz OWOYBTZUCBMDCX-KRWDZBQOSA-N 1 3 341.459 1.763 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCC(C)CC1 ZINC000414797024 304141699 /nfs/dbraw/zinc/14/16/99/304141699.db2.gz WCAODFOAVOQZIR-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@H](C)[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077610 304158175 /nfs/dbraw/zinc/15/81/75/304158175.db2.gz FQPRNGKIZQWXAG-OIISXLGYSA-N 1 3 333.476 1.866 20 0 EDADHO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415075075 304157937 /nfs/dbraw/zinc/15/79/37/304157937.db2.gz AZAMNZVXSOAKIT-YQQAZPJKSA-N 1 3 325.497 1.615 20 0 EDADHO COc1ccc(CCN[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091217 304158549 /nfs/dbraw/zinc/15/85/49/304158549.db2.gz PYXJLXFXSJRFQW-JSGCOSHPSA-N 1 3 341.477 1.005 20 0 EDADHO c1cc2c(cc1CN1CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]31)OCCO2 ZINC000415124287 304162319 /nfs/dbraw/zinc/16/23/19/304162319.db2.gz BXXWWGVZDBLIHT-CVEARBPZSA-N 1 3 330.428 1.658 20 0 EDADHO Cc1ccsc1CN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132113 304162463 /nfs/dbraw/zinc/16/24/63/304162463.db2.gz AEUNWTSZCYZOSW-LSDHHAIUSA-N 1 3 334.489 1.777 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COCc3ccccc3)CC2)CC1 ZINC000195206890 139010169 /nfs/dbraw/zinc/01/01/69/139010169.db2.gz FHUSAGRJQVGFID-UHFFFAOYSA-N 1 3 345.487 1.878 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415148302 304165350 /nfs/dbraw/zinc/16/53/50/304165350.db2.gz KFOSKPSJICZLKX-XKQJLSEDSA-N 1 3 344.459 1.730 20 0 EDADHO CCC[C@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000236852223 139033476 /nfs/dbraw/zinc/03/34/76/139033476.db2.gz RBSVJLAFWACRIS-SFHVURJKSA-N 1 3 332.492 1.438 20 0 EDADHO C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000237234932 139045185 /nfs/dbraw/zinc/04/51/85/139045185.db2.gz ZADSISNERBWREM-KRWDZBQOSA-N 1 3 346.475 1.791 20 0 EDADHO C[C@@H]1C[NH+](CCCCNC(=O)[C@H](N)Cc2ccccc2)C[C@@H](C)O1 ZINC000237502494 139052750 /nfs/dbraw/zinc/05/27/50/139052750.db2.gz OEGYQHZONLNTMV-JFIYKMOQSA-N 1 3 333.476 1.562 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOc2cccc(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261953825 139239617 /nfs/dbraw/zinc/23/96/17/139239617.db2.gz ZJXWBYAWWKLMLO-CRAIPNDOSA-N 1 3 349.450 1.785 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067861 139248153 /nfs/dbraw/zinc/24/81/53/139248153.db2.gz SEVZKKLNPBUXQT-FHLIZLRMSA-N 1 3 331.460 1.692 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCOCC2)N(C)C)cc1 ZINC000262215589 139260720 /nfs/dbraw/zinc/26/07/20/139260720.db2.gz JDOGQDMFABKFRB-QGZVFWFLSA-N 1 3 333.476 1.723 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000417012547 251131192 /nfs/dbraw/zinc/13/11/92/251131192.db2.gz XCUHOHTXLJBXNS-LSDHHAIUSA-N 1 3 340.493 1.419 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417023124 251136617 /nfs/dbraw/zinc/13/66/17/251136617.db2.gz LKQCUVQWKXHQFU-MRXNPFEDSA-N 1 3 333.480 1.735 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417089888 251141568 /nfs/dbraw/zinc/14/15/68/251141568.db2.gz SGWMYQDQAVFFEU-GBESFXJTSA-N 1 3 342.487 1.902 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417550613 251187447 /nfs/dbraw/zinc/18/74/47/251187447.db2.gz WCFYYZIIAWFZFF-HUUCEWRRSA-N 1 3 340.512 1.502 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417556625 251187490 /nfs/dbraw/zinc/18/74/90/251187490.db2.gz PAPQWJLCNSKUNP-KBPBESRZSA-N 1 3 332.439 1.937 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CNCCC1(F)F ZINC000417556625 251187491 /nfs/dbraw/zinc/18/74/91/251187491.db2.gz PAPQWJLCNSKUNP-KBPBESRZSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417622562 251209482 /nfs/dbraw/zinc/20/94/82/251209482.db2.gz HKVFBAFNECJZHN-KBPBESRZSA-N 1 3 328.526 1.773 20 0 EDADHO COCC[NH2+]CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417687432 251228638 /nfs/dbraw/zinc/22/86/38/251228638.db2.gz HZXYRLSQWMMPDK-INIZCTEOSA-N 1 3 348.491 1.747 20 0 EDADHO C[C@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@H](N)c1ccccc1 ZINC000262450620 139279881 /nfs/dbraw/zinc/27/98/81/139279881.db2.gz WGSHPCUMEOGMFB-GUYCJALGSA-N 1 3 340.427 1.650 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000417831412 251288967 /nfs/dbraw/zinc/28/89/67/251288967.db2.gz QSOOZYLHHSDSBV-JSGCOSHPSA-N 1 3 328.420 1.777 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417846472 251295903 /nfs/dbraw/zinc/29/59/03/251295903.db2.gz UCZMTPFLXYPGTJ-HTWSVDAQSA-N 1 3 330.476 1.327 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417846472 251295910 /nfs/dbraw/zinc/29/59/10/251295910.db2.gz UCZMTPFLXYPGTJ-HTWSVDAQSA-N 1 3 330.476 1.327 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417819677 251283257 /nfs/dbraw/zinc/28/32/57/251283257.db2.gz XQTMUTIQDVQUCI-DOTOQJQBSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112126 251326886 /nfs/dbraw/zinc/32/68/86/251326886.db2.gz HUYJUCGYOMSUBH-OAGGEKHMSA-N 1 3 326.485 1.114 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418119181 251333189 /nfs/dbraw/zinc/33/31/89/251333189.db2.gz UMCJLYGBDFZAHP-CVEARBPZSA-N 1 3 326.485 1.176 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418163733 251350327 /nfs/dbraw/zinc/35/03/27/251350327.db2.gz HQCWBDMYBXKVOT-XUWVNRHRSA-N 1 3 334.464 1.960 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418319166 251359795 /nfs/dbraw/zinc/35/97/95/251359795.db2.gz OJCJTJJZCRPJIR-MRXNPFEDSA-N 1 3 336.455 1.899 20 0 EDADHO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCCN3)cn2)CC1 ZINC000422882537 252009598 /nfs/dbraw/zinc/00/95/98/252009598.db2.gz SNGBLXIUQSVEKU-FUHWJXTLSA-N 1 3 347.507 1.080 20 0 EDADHO CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)cc1OC ZINC000422886404 252011383 /nfs/dbraw/zinc/01/13/83/252011383.db2.gz WREIXYWFBIJIGO-HZPDHXFCSA-N 1 3 349.475 1.960 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@H]3CCC[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864437 252002937 /nfs/dbraw/zinc/00/29/37/252002937.db2.gz NBOGEQRQVDEBTB-BXWFABGCSA-N 1 3 333.476 1.995 20 0 EDADHO COc1cc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3CN)C2)cc(OC)c1 ZINC000422864437 252002941 /nfs/dbraw/zinc/00/29/41/252002941.db2.gz NBOGEQRQVDEBTB-BXWFABGCSA-N 1 3 333.476 1.995 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccc1OCCN(C)C ZINC000423345892 252046975 /nfs/dbraw/zinc/04/69/75/252046975.db2.gz OJMPHXYCZVWILI-GOEBONIOSA-N 1 3 349.475 1.640 20 0 EDADHO N[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1F ZINC000424035214 252122131 /nfs/dbraw/zinc/12/21/31/252122131.db2.gz DYRJVWCHWVSBGG-AZZWUSQASA-N 1 3 331.435 2.000 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286153 224084453 /nfs/dbraw/zinc/08/44/53/224084453.db2.gz ZSUQGHCUYOFRKC-NYTXWWLZSA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286153 224084456 /nfs/dbraw/zinc/08/44/56/224084456.db2.gz ZSUQGHCUYOFRKC-NYTXWWLZSA-N 1 3 336.432 1.473 20 0 EDADHO Cc1cccc2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n12 ZINC000424288572 252190327 /nfs/dbraw/zinc/19/03/27/252190327.db2.gz KQUUOTVVMNCBHS-HNNXBMFYSA-N 1 3 326.444 1.967 20 0 EDADHO C[C@H]1CC2(CN1Cc1cnc(N3CCN(C)CC3)nc1)CC[NH2+]CC2 ZINC000424370738 252202703 /nfs/dbraw/zinc/20/27/03/252202703.db2.gz CRAJYGGSIVZGSX-INIZCTEOSA-N 1 3 344.507 1.192 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1CN(C)C ZINC000415609863 304238322 /nfs/dbraw/zinc/23/83/22/304238322.db2.gz HMMKLVTVWGCJBG-WBMJQRKESA-N 1 3 332.448 1.109 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424445450 252235294 /nfs/dbraw/zinc/23/52/94/252235294.db2.gz FOXHMBBOBVGSAX-OAHLLOKOSA-N 1 3 346.475 1.486 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424445450 252235296 /nfs/dbraw/zinc/23/52/96/252235296.db2.gz FOXHMBBOBVGSAX-OAHLLOKOSA-N 1 3 346.475 1.486 20 0 EDADHO C[C@H](Cc1ccc(Br)c(F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000263224059 139329278 /nfs/dbraw/zinc/32/92/78/139329278.db2.gz MLYRBOFRSDZENJ-UDZFHETQSA-N 1 3 331.229 1.689 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000471643573 255015401 /nfs/dbraw/zinc/01/54/01/255015401.db2.gz RFFYAIWAZCTTPB-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CS1 ZINC000488420245 255043354 /nfs/dbraw/zinc/04/33/54/255043354.db2.gz QHMWNQNCYODISP-SJORKVTESA-N 1 3 329.554 1.496 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000492593311 255181921 /nfs/dbraw/zinc/18/19/21/255181921.db2.gz KEJIAXKLUGBMHA-OEPRFQHASA-N 1 3 331.460 1.377 20 0 EDADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000492593311 255181922 /nfs/dbraw/zinc/18/19/22/255181922.db2.gz KEJIAXKLUGBMHA-OEPRFQHASA-N 1 3 331.460 1.377 20 0 EDADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492713192 255185700 /nfs/dbraw/zinc/18/57/00/255185700.db2.gz YSHGBISRSKYUKQ-IYKSTZQJSA-N 1 3 336.505 1.850 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N(C)C)nc1 ZINC000349073228 285282504 /nfs/dbraw/zinc/28/25/04/285282504.db2.gz KFJHVNXTNXEGFM-KRWDZBQOSA-N 1 3 334.512 1.391 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N(C)C)nc1 ZINC000349073228 285282505 /nfs/dbraw/zinc/28/25/05/285282505.db2.gz KFJHVNXTNXEGFM-KRWDZBQOSA-N 1 3 334.512 1.391 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333521246 141331155 /nfs/dbraw/zinc/33/11/55/141331155.db2.gz GRPAADYLNCAEOR-SJLPKXTDSA-N 1 3 343.475 1.691 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCC1 ZINC000340311973 142338262 /nfs/dbraw/zinc/33/82/62/142338262.db2.gz KQGHHCXULKHKDF-SFHVURJKSA-N 1 3 339.524 1.802 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCC1 ZINC000340311973 142338264 /nfs/dbraw/zinc/33/82/64/142338264.db2.gz KQGHHCXULKHKDF-SFHVURJKSA-N 1 3 339.524 1.802 20 0 EDADHO N[C@H](CC(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000345715717 143124948 /nfs/dbraw/zinc/12/49/48/143124948.db2.gz MPJRBNVIAVROLX-GFCCVEGCSA-N 1 3 335.464 1.837 20 0 EDADHO CC(C)[C@H](C(=O)N(C)CCCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000347696783 143351004 /nfs/dbraw/zinc/35/10/04/143351004.db2.gz LTQCKDUZDVPIKS-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599714 306594393 /nfs/dbraw/zinc/59/43/93/306594393.db2.gz KUGCSVFOMCQHED-ZWKOTPCHSA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CC1(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCC1 ZINC000573303805 306617444 /nfs/dbraw/zinc/61/74/44/306617444.db2.gz JIWWOUSSXCYQHP-OAHLLOKOSA-N 1 3 325.522 1.804 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393112 149389615 /nfs/dbraw/zinc/38/96/15/149389615.db2.gz FUXMHTYBZXVRGT-NVXWUHKLSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393112 149389617 /nfs/dbraw/zinc/38/96/17/149389617.db2.gz FUXMHTYBZXVRGT-NVXWUHKLSA-N 1 3 334.439 1.964 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000416972362 304358095 /nfs/dbraw/zinc/35/80/95/304358095.db2.gz RRRYDJIUTFUTOI-UHFFFAOYSA-N 1 3 336.480 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000416974553 304359009 /nfs/dbraw/zinc/35/90/09/304359009.db2.gz LYBDNLFCNDLGJH-ZBFHGGJFSA-N 1 3 334.464 1.554 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000416979006 304359962 /nfs/dbraw/zinc/35/99/62/304359962.db2.gz WNNILBWUVNWXJL-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416979626 304360581 /nfs/dbraw/zinc/36/05/81/304360581.db2.gz XDOYNHMLQUTKGV-MRXNPFEDSA-N 1 3 334.464 1.378 20 0 EDADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CCCOC1 ZINC000355039595 150087524 /nfs/dbraw/zinc/08/75/24/150087524.db2.gz AYVXUSYJNJXSMV-RYQLBKOJSA-N 1 3 333.476 1.810 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000357696017 151117795 /nfs/dbraw/zinc/11/77/95/151117795.db2.gz LGNPVMNPXCQGHO-OAHLLOKOSA-N 1 3 334.464 1.906 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000361111021 152308944 /nfs/dbraw/zinc/30/89/44/152308944.db2.gz IPIMQIFIYLMDEH-QZTJIDSGSA-N 1 3 346.523 1.309 20 0 EDADHO COCC1CCC([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)CC1 ZINC000449202624 292265259 /nfs/dbraw/zinc/26/52/59/292265259.db2.gz IUJBDUOLRCNVKH-JCYILVPMSA-N 1 3 327.513 1.874 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000417196867 304383610 /nfs/dbraw/zinc/38/36/10/304383610.db2.gz PPOYSEQTPYPTDY-SFHVURJKSA-N 1 3 344.503 1.944 20 0 EDADHO [NH3+][C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)C1CCOCC1 ZINC000367184188 154033205 /nfs/dbraw/zinc/03/32/05/154033205.db2.gz FQUXDUXNHMRZOA-INIZCTEOSA-N 1 3 337.489 1.583 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000367590629 154189127 /nfs/dbraw/zinc/18/91/27/154189127.db2.gz SSKKRDUBUFKBAX-ROUUACIJSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000367590629 154189131 /nfs/dbraw/zinc/18/91/31/154189131.db2.gz SSKKRDUBUFKBAX-ROUUACIJSA-N 1 3 330.476 1.984 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417303895 304391232 /nfs/dbraw/zinc/39/12/32/304391232.db2.gz YPKRGYAICBYKLV-GOSISDBHSA-N 1 3 348.491 1.877 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351793 304394087 /nfs/dbraw/zinc/39/40/87/304394087.db2.gz DNBVUBIEXSNFJF-GOSISDBHSA-N 1 3 348.491 1.667 20 0 EDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417529682 304403691 /nfs/dbraw/zinc/40/36/91/304403691.db2.gz RDOUYRYQCQSVEX-PBHICJAKSA-N 1 3 334.464 1.301 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000378116849 158083033 /nfs/dbraw/zinc/08/30/33/158083033.db2.gz CVRSBLGYCHMJAX-JYJNAYRXSA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000378116849 158083035 /nfs/dbraw/zinc/08/30/35/158083035.db2.gz CVRSBLGYCHMJAX-JYJNAYRXSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCN(C2(CNC(=O)C[C@H]3CCC[NH2+]3)CCCCCC2)CC1 ZINC000378203426 158107630 /nfs/dbraw/zinc/10/76/30/158107630.db2.gz QXVFNKVHQAEXJM-QGZVFWFLSA-N 1 3 336.524 1.585 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417967008 304439724 /nfs/dbraw/zinc/43/97/24/304439724.db2.gz JYLKBMDPUCFZAX-KRWDZBQOSA-N 1 3 331.464 1.691 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174598 /nfs/dbraw/zinc/17/45/98/162174598.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 1 3 344.459 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174602 /nfs/dbraw/zinc/17/46/02/162174602.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 1 3 344.459 1.286 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnc(C)n1 ZINC000073790326 287264504 /nfs/dbraw/zinc/26/45/04/287264504.db2.gz RFDQMAUCVUGYFH-KRWDZBQOSA-N 1 3 348.495 1.343 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnc(C)n1 ZINC000073790326 287264508 /nfs/dbraw/zinc/26/45/08/287264508.db2.gz RFDQMAUCVUGYFH-KRWDZBQOSA-N 1 3 348.495 1.343 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000073897590 287265881 /nfs/dbraw/zinc/26/58/81/287265881.db2.gz XKUVJULMDJUMGF-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)ccc1F ZINC000077821664 287291019 /nfs/dbraw/zinc/29/10/19/287291019.db2.gz OZZQBIDQHDOXMG-UHFFFAOYSA-N 1 3 328.407 1.600 20 0 EDADHO CN1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000121334398 287370382 /nfs/dbraw/zinc/37/03/82/287370382.db2.gz QFULSKRUHGVPCJ-DLBZAZTESA-N 1 3 338.496 1.148 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274506487 268155404 /nfs/dbraw/zinc/15/54/04/268155404.db2.gz JREAFCQLVOBUON-UHFFFAOYSA-N 1 3 348.491 1.863 20 0 EDADHO CN(C)C1(CNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC1 ZINC000275477903 268348678 /nfs/dbraw/zinc/34/86/78/268348678.db2.gz BIYJNEJYBQVIGV-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)CCC(=O)c1ccccn1 ZINC000274459446 273092249 /nfs/dbraw/zinc/09/22/49/273092249.db2.gz GBAFYWDVIWBBRU-UHFFFAOYSA-N 1 3 348.491 1.777 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186661879 272946251 /nfs/dbraw/zinc/94/62/51/272946251.db2.gz PVURAJAUCMXSHM-QAPCUYQASA-N 1 3 330.476 1.556 20 0 EDADHO CC(C)(C[NH2+]CCN1C(=O)c2ccccc2C1=O)CN1CCCC1 ZINC000278359610 273260987 /nfs/dbraw/zinc/26/09/87/273260987.db2.gz JNNRHFNMSPLEIA-UHFFFAOYSA-N 1 3 329.444 1.994 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382739 /nfs/dbraw/zinc/38/27/39/274382739.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 1 3 347.503 1.839 20 0 EDADHO COCCN(C)CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382741 /nfs/dbraw/zinc/38/27/41/274382741.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 1 3 347.503 1.839 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1-n1ccnn1 ZINC000285696695 274621175 /nfs/dbraw/zinc/62/11/75/274621175.db2.gz ORMOORQCYFREDZ-INIZCTEOSA-N 1 3 342.491 1.944 20 0 EDADHO CN1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000188982068 277168751 /nfs/dbraw/zinc/16/87/51/277168751.db2.gz HQOYSYXUZSPRKQ-RDJZCZTQSA-N 1 3 325.416 1.231 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@H](C)O1 ZINC000246548356 277888698 /nfs/dbraw/zinc/88/86/98/277888698.db2.gz SYGULPDLFRZVMW-SFFUCWETSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000286477165 288015538 /nfs/dbraw/zinc/01/55/38/288015538.db2.gz LGCYDTUWXOBBDQ-JKSUJKDBSA-N 1 3 348.491 1.080 20 0 EDADHO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293896 /nfs/dbraw/zinc/29/38/96/279293896.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293897 /nfs/dbraw/zinc/29/38/97/279293897.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681327 279314193 /nfs/dbraw/zinc/31/41/93/279314193.db2.gz WVKIPLCOADVQHR-QGZVFWFLSA-N 1 3 333.480 1.583 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000364850232 279511290 /nfs/dbraw/zinc/51/12/90/279511290.db2.gz KAEZNLLGZQSUMN-GOSISDBHSA-N 1 3 330.476 1.386 20 0 EDADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](CCC[NH3+])COC)c1 ZINC000423169947 280030014 /nfs/dbraw/zinc/03/00/14/280030014.db2.gz KQYRPSRIJZXYKN-CQSZACIVSA-N 1 3 348.896 1.977 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000288086115 288399938 /nfs/dbraw/zinc/39/99/38/288399938.db2.gz HDECZAMJFWEWHG-UHFFFAOYSA-N 1 3 348.491 1.213 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000288086115 288399940 /nfs/dbraw/zinc/39/99/40/288399940.db2.gz HDECZAMJFWEWHG-UHFFFAOYSA-N 1 3 348.491 1.213 20 0 EDADHO CN(C)[C@H](CNC(=O)N(C)[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000416829786 289354389 /nfs/dbraw/zinc/35/43/89/289354389.db2.gz GEJMUOLAXUFSAM-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000360737853 289398989 /nfs/dbraw/zinc/39/89/89/289398989.db2.gz NNMLNZQSMCMMGN-ZBFHGGJFSA-N 1 3 328.526 1.407 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000360737853 289398996 /nfs/dbraw/zinc/39/89/96/289398996.db2.gz NNMLNZQSMCMMGN-ZBFHGGJFSA-N 1 3 328.526 1.407 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878617 290085109 /nfs/dbraw/zinc/08/51/09/290085109.db2.gz GZNCJJXAGWBPCH-LBPRGKRZSA-N 1 3 348.413 1.964 20 0 EDADHO CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664361822 453032297 /nfs/dbraw/zinc/03/22/97/453032297.db2.gz KQJQRYKVNXQBHQ-ZNMIVQPWSA-N 1 3 328.501 1.371 20 0 EDADHO CO[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664361822 453032310 /nfs/dbraw/zinc/03/23/10/453032310.db2.gz KQJQRYKVNXQBHQ-ZNMIVQPWSA-N 1 3 328.501 1.371 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418589858 304515484 /nfs/dbraw/zinc/51/54/84/304515484.db2.gz JNXJUYMCPYFIAJ-PMPSAXMXSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@H](CNC(=O)NC[C@@]1(N(C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413555 298728149 /nfs/dbraw/zinc/72/81/49/298728149.db2.gz LTXRSVAMOVQLMU-WBVHZDCISA-N 1 3 342.553 1.843 20 0 EDADHO CC[C@H](CNS(C)(=O)=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000648710600 453201228 /nfs/dbraw/zinc/20/12/28/453201228.db2.gz XFIZNGDAJNIAIQ-OAHLLOKOSA-N 1 3 343.493 1.044 20 0 EDADHO COCCOc1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC000414768898 447325118 /nfs/dbraw/zinc/32/51/18/447325118.db2.gz MPMXTWZJVZWVSA-GASCZTMLSA-N 1 3 348.443 1.872 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293492272 302974204 /nfs/dbraw/zinc/97/42/04/302974204.db2.gz RZDKZSQTSGZRNZ-IEBWSBKVSA-N 1 3 342.487 1.409 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000414856601 447329996 /nfs/dbraw/zinc/32/99/96/447329996.db2.gz ONDWHNBFMMSCMX-GASCZTMLSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506855 303859227 /nfs/dbraw/zinc/85/92/27/303859227.db2.gz KFVPCERAJBGILP-GJZGRUSLSA-N 1 3 341.496 1.678 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000414880698 447341161 /nfs/dbraw/zinc/34/11/61/447341161.db2.gz JXQLCVFVFUKYQW-UHFFFAOYSA-N 1 3 349.479 1.044 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000429288527 305027794 /nfs/dbraw/zinc/02/77/94/305027794.db2.gz WLQHXAVOVQJCJH-DLBZAZTESA-N 1 3 337.508 1.913 20 0 EDADHO C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC(C[NH3+])CC1 ZINC000430648165 305061267 /nfs/dbraw/zinc/06/12/67/305061267.db2.gz HDXARHNQBLKKMD-HNNXBMFYSA-N 1 3 346.475 1.100 20 0 EDADHO [NH3+]C[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668626 305126973 /nfs/dbraw/zinc/12/69/73/305126973.db2.gz BMVCIHGQQOWECZ-ZWKOTPCHSA-N 1 3 327.428 1.724 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H]2CSCCN2)CC1 ZINC000434879448 305132110 /nfs/dbraw/zinc/13/21/10/305132110.db2.gz XPHDKNVTYQZXBP-OAHLLOKOSA-N 1 3 343.537 1.431 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445973191 305260625 /nfs/dbraw/zinc/26/06/25/305260625.db2.gz BSETYVLDFILLLW-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000451609659 305356178 /nfs/dbraw/zinc/35/61/78/305356178.db2.gz NWJVXTBFUDTIMK-MJGOQNOKSA-N 1 3 335.492 1.116 20 0 EDADHO CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000452015613 305378572 /nfs/dbraw/zinc/37/85/72/305378572.db2.gz MQMKXLJGDNMMGX-FGTMMUONSA-N 1 3 333.476 1.953 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361301 305392612 /nfs/dbraw/zinc/39/26/12/305392612.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361301 305392613 /nfs/dbraw/zinc/39/26/13/305392613.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 1 3 337.508 1.747 20 0 EDADHO CC[C@H](C(=O)N[C@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000489581601 305564795 /nfs/dbraw/zinc/56/47/95/305564795.db2.gz KCOPXQHQCFNBLJ-OAGGEKHMSA-N 1 3 342.528 1.266 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000519407574 305768486 /nfs/dbraw/zinc/76/84/86/305768486.db2.gz PSRNDMJLGJFNIG-DLBZAZTESA-N 1 3 345.491 1.309 20 0 EDADHO C[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539044350 306034156 /nfs/dbraw/zinc/03/41/56/306034156.db2.gz KXBXUWPMTRKDPX-KBPBESRZSA-N 1 3 328.478 1.711 20 0 EDADHO CC[C@H](C)Oc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC000540820881 306040498 /nfs/dbraw/zinc/04/04/98/306040498.db2.gz GSNYKZUXFHNQET-HNNXBMFYSA-N 1 3 336.480 1.824 20 0 EDADHO COCCN1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000543744060 306068696 /nfs/dbraw/zinc/06/86/96/306068696.db2.gz ZTQRILCACQDXLL-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000665356450 453664382 /nfs/dbraw/zinc/66/43/82/453664382.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CN1CCCN(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000105477055 441256591 /nfs/dbraw/zinc/25/65/91/441256591.db2.gz MXUDRFQNUCEHJA-UHFFFAOYSA-N 1 3 327.476 1.990 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996881 441330045 /nfs/dbraw/zinc/33/00/45/441330045.db2.gz AKBYXGXNBFCXJJ-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000081996881 441330049 /nfs/dbraw/zinc/33/00/49/441330049.db2.gz AKBYXGXNBFCXJJ-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000073621948 441334330 /nfs/dbraw/zinc/33/43/30/441334330.db2.gz YNRCWTMMWMXQSE-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000073621948 441334333 /nfs/dbraw/zinc/33/43/33/441334333.db2.gz YNRCWTMMWMXQSE-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298503 /nfs/dbraw/zinc/29/85/03/441298503.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298506 /nfs/dbraw/zinc/29/85/06/441298506.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511186 441536885 /nfs/dbraw/zinc/53/68/85/441536885.db2.gz MTBWVNQMYBVTEL-KRWDZBQOSA-N 1 3 331.464 1.788 20 0 EDADHO CCC[NH+]1CCC(N(C)CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000109788874 441506470 /nfs/dbraw/zinc/50/64/70/441506470.db2.gz SINMVDMPIJHVNA-UHFFFAOYSA-N 1 3 336.524 1.536 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836305 441558056 /nfs/dbraw/zinc/55/80/56/441558056.db2.gz UZBQXWPTAMTABB-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041605830 441663851 /nfs/dbraw/zinc/66/38/51/441663851.db2.gz MNWHVQSCMVLMJA-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732418 441838420 /nfs/dbraw/zinc/83/84/20/441838420.db2.gz YIWIXEONHXQXDW-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000116732418 441838423 /nfs/dbraw/zinc/83/84/23/441838423.db2.gz YIWIXEONHXQXDW-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000174181665 441899205 /nfs/dbraw/zinc/89/92/05/441899205.db2.gz QVEJRSFPEHINIB-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000174181665 441899207 /nfs/dbraw/zinc/89/92/07/441899207.db2.gz QVEJRSFPEHINIB-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCCC1 ZINC000458664441 447445246 /nfs/dbraw/zinc/44/52/46/447445246.db2.gz QBAIJHZSRNOAJT-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126475348 442115157 /nfs/dbraw/zinc/11/51/57/442115157.db2.gz AZVCGGJHXRXMNN-BBWFWOEESA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126475348 442115159 /nfs/dbraw/zinc/11/51/59/442115159.db2.gz AZVCGGJHXRXMNN-BBWFWOEESA-N 1 3 325.497 1.724 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121411372 442213412 /nfs/dbraw/zinc/21/34/12/442213412.db2.gz BPVWTMZEWDCKLI-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166677913 442217612 /nfs/dbraw/zinc/21/76/12/442217612.db2.gz OELPIUQWOIFBLL-UHFFFAOYSA-N 1 3 333.476 1.915 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2c(c1)OCO2 ZINC000168958165 442225330 /nfs/dbraw/zinc/22/53/30/442225330.db2.gz WOVRUZHVUZYQEN-MRXNPFEDSA-N 1 3 349.475 1.456 20 0 EDADHO CCCC[C@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154550637 442345298 /nfs/dbraw/zinc/34/52/98/442345298.db2.gz NNBBTVTXMXPLEH-ZDUSSCGKSA-N 1 3 334.420 1.612 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000130570071 442350177 /nfs/dbraw/zinc/35/01/77/442350177.db2.gz OAFYMMXOLQCTDC-UHFFFAOYSA-N 1 3 345.447 1.058 20 0 EDADHO Cc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000130628067 442352323 /nfs/dbraw/zinc/35/23/23/442352323.db2.gz ZJAPUYXJPBQTBE-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769688 442382191 /nfs/dbraw/zinc/38/21/91/442382191.db2.gz QDWQTLYTWANQAJ-NVXWUHKLSA-N 1 3 339.505 1.426 20 0 EDADHO O=C(NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178876760 442510900 /nfs/dbraw/zinc/51/09/00/442510900.db2.gz RXXMHFDGSUWAMY-LJQANCHMSA-N 1 3 344.503 1.310 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856674 442504947 /nfs/dbraw/zinc/50/49/47/442504947.db2.gz SWSKSFAPFJGEDB-SOLBZPMBSA-N 1 3 337.508 1.866 20 0 EDADHO CCN(CC)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180470631 442607280 /nfs/dbraw/zinc/60/72/80/442607280.db2.gz ZMERWDJUOOHRIV-GOSISDBHSA-N 1 3 333.476 1.601 20 0 EDADHO CCN(CC)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180470631 442607283 /nfs/dbraw/zinc/60/72/83/442607283.db2.gz ZMERWDJUOOHRIV-GOSISDBHSA-N 1 3 333.476 1.601 20 0 EDADHO CC[N@H+](C)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192359280 442639228 /nfs/dbraw/zinc/63/92/28/442639228.db2.gz KBIAGDZCMFFYNC-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000192359280 442639230 /nfs/dbraw/zinc/63/92/30/442639230.db2.gz KBIAGDZCMFFYNC-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012127 442644968 /nfs/dbraw/zinc/64/49/68/442644968.db2.gz FAILNAPYPNXBGM-RCCFBDPRSA-N 1 3 339.524 1.972 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000192747902 442683108 /nfs/dbraw/zinc/68/31/08/442683108.db2.gz JWTQJXKDOBTJIW-LJQANCHMSA-N 1 3 338.540 1.199 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000192747902 442683111 /nfs/dbraw/zinc/68/31/11/442683111.db2.gz JWTQJXKDOBTJIW-LJQANCHMSA-N 1 3 338.540 1.199 20 0 EDADHO CC(C)[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246726499 442807675 /nfs/dbraw/zinc/80/76/75/442807675.db2.gz XYDDTHNVDJGJMH-ROUUACIJSA-N 1 3 332.492 1.465 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246769413 442811653 /nfs/dbraw/zinc/81/16/53/442811653.db2.gz GBXXUGKUEGNGBI-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000246769413 442811655 /nfs/dbraw/zinc/81/16/55/442811655.db2.gz GBXXUGKUEGNGBI-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO O=C(c1[nH]nc2c1CNCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000188973018 442852353 /nfs/dbraw/zinc/85/23/53/442852353.db2.gz GQVGDRJOTVSRTC-UHFFFAOYSA-N 1 3 345.491 1.784 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@H]1[NH+](C)C ZINC000268394226 442973808 /nfs/dbraw/zinc/97/38/08/442973808.db2.gz QIHCLIKAEZLKCI-MAUKXSAKSA-N 1 3 348.491 1.719 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3nccs3)CC2)CC1 ZINC000195344308 443012132 /nfs/dbraw/zinc/01/21/32/443012132.db2.gz XJYZKOFDDFYWKA-UHFFFAOYSA-N 1 3 337.493 1.501 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCOCC1 ZINC000184742610 443070529 /nfs/dbraw/zinc/07/05/29/443070529.db2.gz DSHYEVROWIAEON-IRXDYDNUSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000268885582 443137322 /nfs/dbraw/zinc/13/73/22/443137322.db2.gz YVYOSWLTDBVNJS-CRAIPNDOSA-N 1 3 331.460 1.921 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000261979769 443177126 /nfs/dbraw/zinc/17/71/26/443177126.db2.gz RFWFAUKVVODFPI-UAGQMJEPSA-N 1 3 334.464 1.622 20 0 EDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261994776 443178205 /nfs/dbraw/zinc/17/82/05/443178205.db2.gz NASFHVXPLCWLTR-SFHVURJKSA-N 1 3 333.476 1.897 20 0 EDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)C2CCOCC2)c1 ZINC000261994776 443178210 /nfs/dbraw/zinc/17/82/10/443178210.db2.gz NASFHVXPLCWLTR-SFHVURJKSA-N 1 3 333.476 1.897 20 0 EDADHO C[C@H](NC[C@@H](O)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268935474 443151390 /nfs/dbraw/zinc/15/13/90/443151390.db2.gz YNUMMVDTCIKGMG-KBXCAEBGSA-N 1 3 332.448 1.745 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cnn(C)c1 ZINC000268936153 443152600 /nfs/dbraw/zinc/15/26/00/443152600.db2.gz YQXQGWDWPZFIIZ-MNEFBYGVSA-N 1 3 328.460 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1cnn(C)c1 ZINC000268936153 443152604 /nfs/dbraw/zinc/15/26/04/443152604.db2.gz YQXQGWDWPZFIIZ-MNEFBYGVSA-N 1 3 328.460 1.954 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCOCC1 ZINC000245642826 443242220 /nfs/dbraw/zinc/24/22/20/443242220.db2.gz ZKTYVKQBSVKXGB-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCOCC1 ZINC000245642826 443242221 /nfs/dbraw/zinc/24/22/21/443242221.db2.gz ZKTYVKQBSVKXGB-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CCC[C@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707254 443208150 /nfs/dbraw/zinc/20/81/50/443208150.db2.gz NFZAEFJQWPAADV-IRXDYDNUSA-N 1 3 346.475 1.128 20 0 EDADHO CCC[C@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707254 443208155 /nfs/dbraw/zinc/20/81/55/443208155.db2.gz NFZAEFJQWPAADV-IRXDYDNUSA-N 1 3 346.475 1.128 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@@H]1CNCCO1 ZINC000269248002 443249722 /nfs/dbraw/zinc/24/97/22/443249722.db2.gz WHBXIVBAKHJKKO-QGZVFWFLSA-N 1 3 349.475 1.402 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414671154 319339222 /nfs/dbraw/zinc/33/92/22/319339222.db2.gz FLCCBKPBRYEVKW-KZNAEPCWSA-N 1 3 336.524 1.393 20 0 EDADHO C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681048 319341208 /nfs/dbraw/zinc/34/12/08/319341208.db2.gz OCEOROJBGIAUSV-CQSZACIVSA-N 1 3 339.867 1.848 20 0 EDADHO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681048 319341211 /nfs/dbraw/zinc/34/12/11/319341211.db2.gz OCEOROJBGIAUSV-CQSZACIVSA-N 1 3 339.867 1.848 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000414993894 319344532 /nfs/dbraw/zinc/34/45/32/319344532.db2.gz UUMMBYHBUDVBMK-MRXNPFEDSA-N 1 3 346.475 1.439 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000414993894 319344535 /nfs/dbraw/zinc/34/45/35/319344535.db2.gz UUMMBYHBUDVBMK-MRXNPFEDSA-N 1 3 346.475 1.439 20 0 EDADHO C[NH+](C)CCOCCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415958263 319384798 /nfs/dbraw/zinc/38/47/98/319384798.db2.gz WPTANVYHNAKXMT-UHFFFAOYSA-N 1 3 348.369 1.864 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415969433 319386095 /nfs/dbraw/zinc/38/60/95/319386095.db2.gz GUGUICDRBPGVQP-HZPDHXFCSA-N 1 3 330.432 1.917 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415969433 319386097 /nfs/dbraw/zinc/38/60/97/319386097.db2.gz GUGUICDRBPGVQP-HZPDHXFCSA-N 1 3 330.432 1.917 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000415971140 319386121 /nfs/dbraw/zinc/38/61/21/319386121.db2.gz JMDMAXVOAKSVDS-KRWDZBQOSA-N 1 3 334.464 1.981 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CNCCO1)[NH+]1CCCC1 ZINC000416950213 319483661 /nfs/dbraw/zinc/48/36/61/319483661.db2.gz HVZRIMZJFSFIFH-HZPDHXFCSA-N 1 3 326.485 1.175 20 0 EDADHO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(=O)NCCN3CCCCCC3)C[C@H]2C1 ZINC000425343107 319832201 /nfs/dbraw/zinc/83/22/01/319832201.db2.gz BUSZEXHSACEIPQ-KNCDZKKRSA-N 1 3 337.508 1.772 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000432509859 319954735 /nfs/dbraw/zinc/95/47/35/319954735.db2.gz OQFWSBCQUASVHZ-MAUKXSAKSA-N 1 3 330.476 1.556 20 0 EDADHO CN(C)C[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373814 319978480 /nfs/dbraw/zinc/97/84/80/319978480.db2.gz HKVDETIMRZRCRP-HOTGVXAUSA-N 1 3 342.447 1.235 20 0 EDADHO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(OCCN(C)C)cc1 ZINC000453389387 320263518 /nfs/dbraw/zinc/26/35/18/320263518.db2.gz XNJKAIXBIZPKAP-MRXNPFEDSA-N 1 3 335.492 1.734 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@@]1(O)CN2CCC1CC2)c1ccccc1 ZINC000516312223 320435222 /nfs/dbraw/zinc/43/52/22/320435222.db2.gz BPNCKGIVDXTRMB-IEBWSBKVSA-N 1 3 331.460 1.252 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)[C@H]1C ZINC000530317750 320620348 /nfs/dbraw/zinc/62/03/48/320620348.db2.gz OVCTYNDZSSQESV-ULQDDVLXSA-N 1 3 325.497 1.581 20 0 EDADHO CC[NH+]1CCN(CCC(=O)N2CC(N(C)Cc3ccccc3)C2)CC1 ZINC000288527153 443908852 /nfs/dbraw/zinc/90/88/52/443908852.db2.gz UJOAPKVNMHURQM-UHFFFAOYSA-N 1 3 344.503 1.357 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000288798816 443985834 /nfs/dbraw/zinc/98/58/34/443985834.db2.gz IMCCCEYSJVHRDQ-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000299474086 444056161 /nfs/dbraw/zinc/05/61/61/444056161.db2.gz BAQLOIGFMXLUTN-IBGZPJMESA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000299474086 444056162 /nfs/dbraw/zinc/05/61/62/444056162.db2.gz BAQLOIGFMXLUTN-IBGZPJMESA-N 1 3 344.503 1.718 20 0 EDADHO Cc1cccc(N2CCN(CCCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000299474086 444056163 /nfs/dbraw/zinc/05/61/63/444056163.db2.gz BAQLOIGFMXLUTN-IBGZPJMESA-N 1 3 344.503 1.718 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000557305991 321002203 /nfs/dbraw/zinc/00/22/03/321002203.db2.gz GIIPFMIRFQBODD-MRXNPFEDSA-N 1 3 340.512 1.055 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000557305991 321002204 /nfs/dbraw/zinc/00/22/04/321002204.db2.gz GIIPFMIRFQBODD-MRXNPFEDSA-N 1 3 340.512 1.055 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000565184014 321174450 /nfs/dbraw/zinc/17/44/50/321174450.db2.gz ZQCZCCAQMMYBKD-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000565184014 321174451 /nfs/dbraw/zinc/17/44/51/321174451.db2.gz ZQCZCCAQMMYBKD-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565597731 321192684 /nfs/dbraw/zinc/19/26/84/321192684.db2.gz UOESSJNNFGVHEY-KRWDZBQOSA-N 1 3 334.464 1.222 20 0 EDADHO CC1CCC(O)(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000566119001 321217812 /nfs/dbraw/zinc/21/78/12/321217812.db2.gz NAEHFLNGIXKYGA-UHFFFAOYSA-N 1 3 339.524 1.314 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)CC3(C[NH3+])CCCCC3)C2)nn1 ZINC000566212817 321222769 /nfs/dbraw/zinc/22/27/69/321222769.db2.gz HUQROUVRFOVZKY-OAHLLOKOSA-N 1 3 334.468 1.200 20 0 EDADHO CC(C)CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CCN(C)CC1 ZINC000568898801 321311071 /nfs/dbraw/zinc/31/10/71/321311071.db2.gz MIXLPFVBHFNKKX-UHFFFAOYSA-N 1 3 335.496 1.637 20 0 EDADHO COCCCN1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000570938506 321364938 /nfs/dbraw/zinc/36/49/38/321364938.db2.gz GCAHUXUURLWUJF-SFHVURJKSA-N 1 3 338.496 1.272 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)CCC(=O)OC)Cc1ccccc1 ZINC000289997394 444228510 /nfs/dbraw/zinc/22/85/10/444228510.db2.gz RMGPDZBJMZKDKA-IAGOWNOFSA-N 1 3 349.475 1.336 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290053117 444235963 /nfs/dbraw/zinc/23/59/63/444235963.db2.gz FFOQYCNXYBMFPY-ZWKOTPCHSA-N 1 3 333.476 1.877 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@H](C)O1 ZINC000303379876 444236834 /nfs/dbraw/zinc/23/68/34/444236834.db2.gz QMJXOZHFFOQIRV-SOLBZPMBSA-N 1 3 342.524 1.984 20 0 EDADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCCN(C)CC1)CO2 ZINC000297787805 444334548 /nfs/dbraw/zinc/33/45/48/444334548.db2.gz PVVBYUVYKUWQGB-QGZVFWFLSA-N 1 3 333.476 1.616 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000580902569 322111067 /nfs/dbraw/zinc/11/10/67/322111067.db2.gz KGYSITLPKZWXGM-MJBXVCDLSA-N 1 3 343.518 1.618 20 0 EDADHO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000332594889 444520908 /nfs/dbraw/zinc/52/09/08/444520908.db2.gz GLHGDUSJTRRWRY-HZPDHXFCSA-N 1 3 329.510 1.405 20 0 EDADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332594889 444520911 /nfs/dbraw/zinc/52/09/11/444520911.db2.gz GLHGDUSJTRRWRY-HZPDHXFCSA-N 1 3 329.510 1.405 20 0 EDADHO CC(C)S(=O)(=O)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000332594889 444520913 /nfs/dbraw/zinc/52/09/13/444520913.db2.gz GLHGDUSJTRRWRY-HZPDHXFCSA-N 1 3 329.510 1.405 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000340830790 444532324 /nfs/dbraw/zinc/53/23/24/444532324.db2.gz ZZDROTPJWAEEHY-MRXNPFEDSA-N 1 3 328.501 1.184 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000340830790 444532326 /nfs/dbraw/zinc/53/23/26/444532326.db2.gz ZZDROTPJWAEEHY-MRXNPFEDSA-N 1 3 328.501 1.184 20 0 EDADHO CCCCNC(=O)CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000341015382 444633321 /nfs/dbraw/zinc/63/33/21/444633321.db2.gz OOLGXMFLAMMIJL-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596800 /nfs/dbraw/zinc/59/68/00/444596800.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 1 3 333.476 1.327 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596803 /nfs/dbraw/zinc/59/68/03/444596803.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 1 3 333.476 1.327 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957732 444596891 /nfs/dbraw/zinc/59/68/91/444596891.db2.gz IXTUYODWZOEMIZ-QGZVFWFLSA-N 1 3 348.491 1.950 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957732 444596895 /nfs/dbraw/zinc/59/68/95/444596895.db2.gz IXTUYODWZOEMIZ-QGZVFWFLSA-N 1 3 348.491 1.950 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188394 444718540 /nfs/dbraw/zinc/71/85/40/444718540.db2.gz DAIFKKQJGQBQHA-JKSUJKDBSA-N 1 3 333.480 1.638 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188394 444718543 /nfs/dbraw/zinc/71/85/43/444718543.db2.gz DAIFKKQJGQBQHA-JKSUJKDBSA-N 1 3 333.480 1.638 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000333946309 444726311 /nfs/dbraw/zinc/72/63/11/444726311.db2.gz UMRFRCAUMNEWGD-RBSFLKMASA-N 1 3 326.485 1.031 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204603 444727773 /nfs/dbraw/zinc/72/77/73/444727773.db2.gz PWMOMWYKTLZMOE-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204603 444727776 /nfs/dbraw/zinc/72/77/76/444727776.db2.gz PWMOMWYKTLZMOE-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955100 444692236 /nfs/dbraw/zinc/69/22/36/444692236.db2.gz SUPNSPYICTVVPQ-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955100 444692239 /nfs/dbraw/zinc/69/22/39/444692239.db2.gz SUPNSPYICTVVPQ-CABCVRRESA-N 1 3 327.469 1.060 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000342631761 444787856 /nfs/dbraw/zinc/78/78/56/444787856.db2.gz CNAUADPJOZYYNZ-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000342631761 444787858 /nfs/dbraw/zinc/78/78/58/444787858.db2.gz CNAUADPJOZYYNZ-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000342766473 444856236 /nfs/dbraw/zinc/85/62/36/444856236.db2.gz VGZSZFXHKNUUQQ-MAUKXSAKSA-N 1 3 333.476 1.674 20 0 EDADHO CC[NH+](CC)CCOC1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000337242938 445000349 /nfs/dbraw/zinc/00/03/49/445000349.db2.gz HALFUNBTFQFVIG-QGZVFWFLSA-N 1 3 327.513 1.530 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1C[C@H](C)[C@H](N(C)C)C1 ZINC000343029679 445015896 /nfs/dbraw/zinc/01/58/96/445015896.db2.gz UBKHZAZVJOXERI-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO NC(=O)C[C@@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137995 445052145 /nfs/dbraw/zinc/05/21/45/445052145.db2.gz YBKKOWSJJBNHTL-XFCCUVRLSA-N 1 3 336.480 1.002 20 0 EDADHO NC(=O)C[C@@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137995 445052147 /nfs/dbraw/zinc/05/21/47/445052147.db2.gz YBKKOWSJJBNHTL-XFCCUVRLSA-N 1 3 336.480 1.002 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000330716345 445108954 /nfs/dbraw/zinc/10/89/54/445108954.db2.gz UFNIRRMLFUCLJE-AWEZNQCLSA-N 1 3 336.484 1.639 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000337513451 445112972 /nfs/dbraw/zinc/11/29/72/445112972.db2.gz NXPPOAACWVMJRI-MRXNPFEDSA-N 1 3 335.496 1.885 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000337513451 445112975 /nfs/dbraw/zinc/11/29/75/445112975.db2.gz NXPPOAACWVMJRI-MRXNPFEDSA-N 1 3 335.496 1.885 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000346146712 445206905 /nfs/dbraw/zinc/20/69/05/445206905.db2.gz VVJRQCLDFLEZPA-MRXNPFEDSA-N 1 3 332.492 1.897 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374853 445212180 /nfs/dbraw/zinc/21/21/80/445212180.db2.gz UTOVTVUYFIEHLL-PKOBYXMFSA-N 1 3 349.523 1.505 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)N(C)C1 ZINC000347083814 445231359 /nfs/dbraw/zinc/23/13/59/445231359.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)N(C)C1 ZINC000347083814 445231360 /nfs/dbraw/zinc/23/13/60/445231360.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 1 3 326.485 1.221 20 0 EDADHO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CCN(CC)CC3)nc2)C1 ZINC000343564090 445244682 /nfs/dbraw/zinc/24/46/82/445244682.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3C[N@H+](CC)C[C@H]3C)cn2)CC1 ZINC000343564090 445244683 /nfs/dbraw/zinc/24/46/83/445244683.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3C[N@@H+](CC)C[C@H]3C)cn2)CC1 ZINC000343564090 445244686 /nfs/dbraw/zinc/24/46/86/445244686.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCC[C@@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000351768502 445314693 /nfs/dbraw/zinc/31/46/93/445314693.db2.gz WMTBYAAMQIEMKF-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000351815903 445331579 /nfs/dbraw/zinc/33/15/79/445331579.db2.gz STRPTJYHQVIWRV-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000359872210 445469799 /nfs/dbraw/zinc/46/97/99/445469799.db2.gz GSFDHWFEEULXAF-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000362749749 445530965 /nfs/dbraw/zinc/53/09/65/445530965.db2.gz CXMAOLZKWBVWMR-SFHVURJKSA-N 1 3 337.508 1.866 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359916223 445486673 /nfs/dbraw/zinc/48/66/73/445486673.db2.gz GSUWIWWNYCQMKD-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359916223 445486675 /nfs/dbraw/zinc/48/66/75/445486675.db2.gz GSUWIWWNYCQMKD-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3[C@@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC000357304858 445537366 /nfs/dbraw/zinc/53/73/66/445537366.db2.gz SCZHODWYFKVEED-TXPKVOOTSA-N 1 3 344.503 1.945 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H](N2CCCC2)C1 ZINC000362808965 445559309 /nfs/dbraw/zinc/55/93/09/445559309.db2.gz NADRUFBHTMLIBP-HZPDHXFCSA-N 1 3 331.464 1.508 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362856365 445582847 /nfs/dbraw/zinc/58/28/47/445582847.db2.gz QUQWVDLMBNQKSG-KRWDZBQOSA-N 1 3 325.497 1.678 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)CN2CCCCC2)CC[NH+](C)CC1 ZINC000357995645 445598652 /nfs/dbraw/zinc/59/86/52/445598652.db2.gz VEULPNSDSFTIFN-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO NC(C(=O)NCC1CC[NH+](Cc2cccs2)CC1)C(F)(F)F ZINC000353464097 445613759 /nfs/dbraw/zinc/61/37/59/445613759.db2.gz XHCJFPIPHGKYTB-LBPRGKRZSA-N 1 3 335.395 1.966 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000362993060 445641717 /nfs/dbraw/zinc/64/17/17/445641717.db2.gz CNKICRXEGIMBGB-WMZOPIPTSA-N 1 3 347.507 1.933 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660469 445637894 /nfs/dbraw/zinc/63/78/94/445637894.db2.gz BZBLLKIPJVKATB-ZWKOTPCHSA-N 1 3 348.491 1.179 20 0 EDADHO OCCN1CC[NH+](CCCCNCc2ncc(Cl)s2)CC1 ZINC000349668841 445642923 /nfs/dbraw/zinc/64/29/23/445642923.db2.gz ORGPPNFTJNRBGD-UHFFFAOYSA-N 1 3 332.901 1.276 20 0 EDADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)CN1CCN(C)CC1 ZINC000358646509 445692914 /nfs/dbraw/zinc/69/29/14/445692914.db2.gz IPVONOBTSOWXFN-KRWDZBQOSA-N 1 3 338.540 1.498 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000358650681 445694586 /nfs/dbraw/zinc/69/45/86/445694586.db2.gz POCZFZTWUJQNTO-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000358650681 445694589 /nfs/dbraw/zinc/69/45/89/445694589.db2.gz POCZFZTWUJQNTO-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938968 445728382 /nfs/dbraw/zinc/72/83/82/445728382.db2.gz VSZPYYNYRURAHU-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360889442 445737348 /nfs/dbraw/zinc/73/73/48/445737348.db2.gz NTFZFLGJKCMMES-VQHPVUNQSA-N 1 3 336.480 1.118 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360889442 445737350 /nfs/dbraw/zinc/73/73/50/445737350.db2.gz NTFZFLGJKCMMES-VQHPVUNQSA-N 1 3 336.480 1.118 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(CCN(C)C)CC2)[C@@H]1C ZINC000353927950 445815901 /nfs/dbraw/zinc/81/59/01/445815901.db2.gz JRWHTMAUSIPXBP-VYDXJSESSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])CN1CCN(C)CC1 ZINC000354068090 445884688 /nfs/dbraw/zinc/88/46/88/445884688.db2.gz KNTCJGHUDZOREQ-ZGOKBZQCSA-N 1 3 336.524 1.140 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364574902 445934085 /nfs/dbraw/zinc/93/40/85/445934085.db2.gz AIZJVNLJJPMWCP-AZUAARDMSA-N 1 3 343.471 1.259 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365088795 446016678 /nfs/dbraw/zinc/01/66/78/446016678.db2.gz OHQREXSVOQXFOB-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000365097460 446021925 /nfs/dbraw/zinc/02/19/25/446021925.db2.gz ZBYCCEWRDHAERQ-WMZOPIPTSA-N 1 3 335.492 1.751 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000361930041 446078447 /nfs/dbraw/zinc/07/84/47/446078447.db2.gz OZNNLXUBYKSXRP-NVXWUHKLSA-N 1 3 338.540 1.543 20 0 EDADHO c1ccc(-c2nnn(CCCCCN3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359270626 446108259 /nfs/dbraw/zinc/10/82/59/446108259.db2.gz FPJSBPLLKHVPBS-CALCHBBNSA-N 1 3 326.448 1.662 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(CCCOC)CC1 ZINC000369661124 446142131 /nfs/dbraw/zinc/14/21/31/446142131.db2.gz OWIRWSQIHJQXID-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCCC[NH+]3CCCCC3)n2)CC1 ZINC000369663770 446142791 /nfs/dbraw/zinc/14/27/91/446142791.db2.gz MWCUZGDCTUUDPC-UHFFFAOYSA-N 1 3 348.495 2.147 20 0 EDADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000370307019 446224476 /nfs/dbraw/zinc/22/44/76/446224476.db2.gz YESIRBCJLIJGEC-QFBILLFUSA-N 1 3 349.523 1.993 20 0 EDADHO CCN(CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000370307019 446224479 /nfs/dbraw/zinc/22/44/79/446224479.db2.gz YESIRBCJLIJGEC-QFBILLFUSA-N 1 3 349.523 1.993 20 0 EDADHO COCCCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(C)CC1 ZINC000362345958 446328261 /nfs/dbraw/zinc/32/82/61/446328261.db2.gz RKHUWMTZCSQSJQ-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)CC1 ZINC000374149473 446354632 /nfs/dbraw/zinc/35/46/32/446354632.db2.gz AWVPGQOLVLGSJP-GOSISDBHSA-N 1 3 349.519 1.964 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417907420 446382388 /nfs/dbraw/zinc/38/23/88/446382388.db2.gz FAGOMEWWIQQWAS-KBPBESRZSA-N 1 3 332.439 1.651 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417907420 446382394 /nfs/dbraw/zinc/38/23/94/446382394.db2.gz FAGOMEWWIQQWAS-KBPBESRZSA-N 1 3 332.439 1.651 20 0 EDADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000370682223 446384232 /nfs/dbraw/zinc/38/42/32/446384232.db2.gz MXOIGBMRNRXOKK-KZNAEPCWSA-N 1 3 327.513 1.434 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365903636 446395072 /nfs/dbraw/zinc/39/50/72/446395072.db2.gz CECZFVXPWKVXPZ-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365903636 446395076 /nfs/dbraw/zinc/39/50/76/446395076.db2.gz CECZFVXPWKVXPZ-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117762 446428525 /nfs/dbraw/zinc/42/85/25/446428525.db2.gz WZUPAYSSZWWBPG-GWCFXTLKSA-N 1 3 349.859 1.474 20 0 EDADHO CCc1ccc([C@H](CN2CCOCC2)NCCN2CC[NH2+]CC2)cc1 ZINC000423204176 446453322 /nfs/dbraw/zinc/45/33/22/446453322.db2.gz NXBKUZKGOLYINC-FQEVSTJZSA-N 1 3 346.519 1.117 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418076093 446432383 /nfs/dbraw/zinc/43/23/83/446432383.db2.gz QYBGEJRFBPGRNN-WBVHZDCISA-N 1 3 334.464 1.172 20 0 EDADHO C[NH2+]CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418103853 446440805 /nfs/dbraw/zinc/44/08/05/446440805.db2.gz JQWLUKSHSGCTBL-UHFFFAOYSA-N 1 3 336.402 1.700 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420268851 446441863 /nfs/dbraw/zinc/44/18/63/446441863.db2.gz HEGPLOIFJAUQCD-SZMVWBNQSA-N 1 3 332.492 1.607 20 0 EDADHO CN1CCN(CCNC(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000418180365 446448185 /nfs/dbraw/zinc/44/81/85/446448185.db2.gz YCSAGICGLAOCLQ-UHFFFAOYSA-N 1 3 347.507 1.183 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417994454 446410005 /nfs/dbraw/zinc/41/00/05/446410005.db2.gz YZMIMDYOLHTLQN-BPQIPLTHSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418017697 446417845 /nfs/dbraw/zinc/41/78/45/446417845.db2.gz SWSLQXGMGCKQRV-AHCXZYCDSA-N 1 3 330.476 1.886 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309678 446473047 /nfs/dbraw/zinc/47/30/47/446473047.db2.gz FALDSEMPWLKSEI-RBUKOAKNSA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309678 446473055 /nfs/dbraw/zinc/47/30/55/446473055.db2.gz FALDSEMPWLKSEI-RBUKOAKNSA-N 1 3 347.503 1.924 20 0 EDADHO C[C@H](C[NH3+])N[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423327739 446489364 /nfs/dbraw/zinc/48/93/64/446489364.db2.gz NRULQTIOUHDPLS-MLGOLLRUSA-N 1 3 338.883 1.515 20 0 EDADHO COCCN1CC[C@H]([NH2+][C@H]2CNCC[C@@H]2c2ccc(OC)cc2)C1 ZINC000423340735 446496346 /nfs/dbraw/zinc/49/63/46/446496346.db2.gz TUEVLRWYYQFVPV-UHOSZYNNSA-N 1 3 333.476 1.451 20 0 EDADHO CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1C[C@@H](C)O ZINC000420325933 446492752 /nfs/dbraw/zinc/49/27/52/446492752.db2.gz WWJUOBGZSWSYRD-KBAYOESNSA-N 1 3 335.492 1.515 20 0 EDADHO CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418336938 446504876 /nfs/dbraw/zinc/50/48/76/446504876.db2.gz INKUUVWRTLLVOD-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000423373987 446507322 /nfs/dbraw/zinc/50/73/22/446507322.db2.gz CAWVLBFDNHEBQV-RHSMWYFYSA-N 1 3 348.491 1.214 20 0 EDADHO C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C)CC1 ZINC000433391039 446568377 /nfs/dbraw/zinc/56/83/77/446568377.db2.gz UGBOCRDKUGWDRT-HUUCEWRRSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418498960 446566646 /nfs/dbraw/zinc/56/66/46/446566646.db2.gz NHIKYZFHTUEHCU-VBQJREDUSA-N 1 3 338.496 1.255 20 0 EDADHO COC(=O)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357978 446538612 /nfs/dbraw/zinc/53/86/12/446538612.db2.gz IJXPECDPUCXDPA-HZPDHXFCSA-N 1 3 331.460 1.983 20 0 EDADHO COCCN1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423467532 446549249 /nfs/dbraw/zinc/54/92/49/446549249.db2.gz JGRXEQXOBQTOSI-YTQUADARSA-N 1 3 335.467 1.829 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418603884 446611683 /nfs/dbraw/zinc/61/16/83/446611683.db2.gz XATKQNNLAFKFMB-MAUKXSAKSA-N 1 3 348.491 1.766 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418505976 446570119 /nfs/dbraw/zinc/57/01/19/446570119.db2.gz GTMRSLJNPKJIGK-QGZVFWFLSA-N 1 3 348.491 1.386 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418523201 446580200 /nfs/dbraw/zinc/58/02/00/446580200.db2.gz LKUPPTFGAMQAJC-AWEZNQCLSA-N 1 3 340.418 1.648 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662767 446638410 /nfs/dbraw/zinc/63/84/10/446638410.db2.gz DWJAYPCGRKIYQX-QAQDUYKDSA-N 1 3 347.507 1.920 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418627697 446620881 /nfs/dbraw/zinc/62/08/81/446620881.db2.gz BHOFRYPFUQWCEX-GOSISDBHSA-N 1 3 330.476 1.857 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCn2cc(CO)nn2)CC1 ZINC000368083683 446630418 /nfs/dbraw/zinc/63/04/18/446630418.db2.gz OGXGWXPAMMRNAV-QAPCUYQASA-N 1 3 335.496 1.793 20 0 EDADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083683 446630425 /nfs/dbraw/zinc/63/04/25/446630425.db2.gz OGXGWXPAMMRNAV-QAPCUYQASA-N 1 3 335.496 1.793 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000375365341 446750453 /nfs/dbraw/zinc/75/04/53/446750453.db2.gz GBISHZQVPPBKSB-KRWDZBQOSA-N 1 3 331.460 1.475 20 0 EDADHO C[C@@H]1C[C@H](N2CCCC2)CN1N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000377007984 446857317 /nfs/dbraw/zinc/85/73/17/446857317.db2.gz RTINMCWBMJWXNU-ICBNADEASA-N 1 3 336.524 1.644 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419079542 446909768 /nfs/dbraw/zinc/90/97/68/446909768.db2.gz NDOZWFOSGNNELO-XHSDSOJGSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634260 446940189 /nfs/dbraw/zinc/94/01/89/446940189.db2.gz HIRRKARDPHQBKY-OGJJZOIMSA-N 1 3 335.492 1.382 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598673 446972130 /nfs/dbraw/zinc/97/21/30/446972130.db2.gz RAHKPROEQHIWNC-AISVETHESA-N 1 3 349.519 1.772 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368620235 446985536 /nfs/dbraw/zinc/98/55/36/446985536.db2.gz XMRDJIYQRTYADE-LTIDMASMSA-N 1 3 336.480 1.118 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CNCC3)[C@@H]1c1cccs1 ZINC000372460458 447063399 /nfs/dbraw/zinc/06/33/99/447063399.db2.gz QJTBLNLDGWXIQD-BDJLRTHQSA-N 1 3 345.472 1.540 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CNCC3)[C@@H]1c1cccs1 ZINC000372460458 447063404 /nfs/dbraw/zinc/06/34/04/447063404.db2.gz QJTBLNLDGWXIQD-BDJLRTHQSA-N 1 3 345.472 1.540 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000421294425 447107857 /nfs/dbraw/zinc/10/78/57/447107857.db2.gz GVKHQBJWRUYMHU-INIZCTEOSA-N 1 3 332.448 1.239 20 0 EDADHO O=C1CCC(=O)N1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000377338451 447075084 /nfs/dbraw/zinc/07/50/84/447075084.db2.gz XURHTPBRWKBKTL-ZWKOTPCHSA-N 1 3 341.455 1.589 20 0 EDADHO O=C1CCC(=O)N1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000377338451 447075093 /nfs/dbraw/zinc/07/50/93/447075093.db2.gz XURHTPBRWKBKTL-ZWKOTPCHSA-N 1 3 341.455 1.589 20 0 EDADHO CC(C)CN1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000372588335 447165489 /nfs/dbraw/zinc/16/54/89/447165489.db2.gz HVLPLPGIZKDJJU-AEFFLSMTSA-N 1 3 333.480 1.450 20 0 EDADHO O=C(c1[nH]nc2c1CNCC2)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000372613537 447184041 /nfs/dbraw/zinc/18/40/41/447184041.db2.gz ZFBUNODYZJQQGP-OAHLLOKOSA-N 1 3 339.443 1.450 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494901739 447460549 /nfs/dbraw/zinc/46/05/49/447460549.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000494901739 447460557 /nfs/dbraw/zinc/46/05/57/447460557.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 1 3 326.485 1.221 20 0 EDADHO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC[C@@H]1CCCCN1CCO ZINC000458703620 447456202 /nfs/dbraw/zinc/45/62/02/447456202.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC[C@@H]1CCCCN1CCO ZINC000458703620 447456204 /nfs/dbraw/zinc/45/62/04/447456204.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000426650996 447485470 /nfs/dbraw/zinc/48/54/70/447485470.db2.gz IUQDBBNGHCYJKL-IYBDPMFKSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C(=O)C[C@@H]1CCC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000427283673 447575280 /nfs/dbraw/zinc/57/52/80/447575280.db2.gz YLODPAGPIDZQAQ-QGZVFWFLSA-N 1 3 347.507 1.586 20 0 EDADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCCN(CCCO)C1)C(C)C ZINC000457413976 447576416 /nfs/dbraw/zinc/57/64/16/447576416.db2.gz BCNVTQHDXGEZPT-INIZCTEOSA-N 1 3 328.501 1.251 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnc(C)c1 ZINC000458993535 447531309 /nfs/dbraw/zinc/53/13/09/447531309.db2.gz DZMFAEGGURBICJ-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccnc(C)c1 ZINC000458993535 447531315 /nfs/dbraw/zinc/53/13/15/447531315.db2.gz DZMFAEGGURBICJ-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000459099050 447573748 /nfs/dbraw/zinc/57/37/48/447573748.db2.gz JHDRYWUAPHULMX-MRXNPFEDSA-N 1 3 338.496 1.149 20 0 EDADHO CCC[N@H+](CCn1cc(Cl)cn1)CCN1CCN(CC)CC1 ZINC000459541436 447700732 /nfs/dbraw/zinc/70/07/32/447700732.db2.gz WNNAGOLKFAKUAC-UHFFFAOYSA-N 1 3 327.904 1.886 20 0 EDADHO CCC[N@@H+](CCn1cc(Cl)cn1)CCN1CCN(CC)CC1 ZINC000459541436 447700735 /nfs/dbraw/zinc/70/07/35/447700735.db2.gz WNNAGOLKFAKUAC-UHFFFAOYSA-N 1 3 327.904 1.886 20 0 EDADHO CN1CCN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422707024 447721751 /nfs/dbraw/zinc/72/17/51/447721751.db2.gz GMBBRYXJLHTVSB-YOFSQIOKSA-N 1 3 328.504 1.807 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000416949418 447722145 /nfs/dbraw/zinc/72/21/45/447722145.db2.gz HEDCJPFYNWHXLT-MSOLQXFVSA-N 1 3 347.507 1.258 20 0 EDADHO O=C(COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)NC1CC1 ZINC000422708896 447723250 /nfs/dbraw/zinc/72/32/50/447723250.db2.gz JUCJJHZXYKZRCX-JWTNVVGKSA-N 1 3 343.471 1.759 20 0 EDADHO CN1CCN(C(=O)CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422716741 447726466 /nfs/dbraw/zinc/72/64/66/447726466.db2.gz NTAMZTZZJIPRLU-ROUUACIJSA-N 1 3 330.476 1.233 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000416958385 447727252 /nfs/dbraw/zinc/72/72/52/447727252.db2.gz OZHZCXHZCYNDFQ-HZPDHXFCSA-N 1 3 327.517 1.075 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422753555 447739678 /nfs/dbraw/zinc/73/96/78/447739678.db2.gz DZUHBKQBJQDUKN-KURKYZTESA-N 1 3 331.460 1.935 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2CN3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225407 447748423 /nfs/dbraw/zinc/74/84/23/447748423.db2.gz YLFFUGLITAAWLG-KRWDZBQOSA-N 1 3 346.475 1.264 20 0 EDADHO C[C@H](NCCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422823269 447760902 /nfs/dbraw/zinc/76/09/02/447760902.db2.gz DBGILXNVTCAJJF-DLBZAZTESA-N 1 3 332.496 1.109 20 0 EDADHO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000422823269 447760905 /nfs/dbraw/zinc/76/09/05/447760905.db2.gz DBGILXNVTCAJJF-DLBZAZTESA-N 1 3 332.496 1.109 20 0 EDADHO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471834695 447815225 /nfs/dbraw/zinc/81/52/25/447815225.db2.gz SVJNAAKUEIYERU-DLBZAZTESA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000471834695 447815228 /nfs/dbraw/zinc/81/52/28/447815228.db2.gz SVJNAAKUEIYERU-DLBZAZTESA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471834695 447815231 /nfs/dbraw/zinc/81/52/31/447815231.db2.gz SVJNAAKUEIYERU-DLBZAZTESA-N 1 3 346.475 1.504 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000422920305 447773859 /nfs/dbraw/zinc/77/38/59/447773859.db2.gz MFUUERJGRZFXQO-MHORFTMASA-N 1 3 331.460 1.487 20 0 EDADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(=O)N(C)C ZINC000422943193 447777824 /nfs/dbraw/zinc/77/78/24/447777824.db2.gz QOAXUELROGKYBX-CVEARBPZSA-N 1 3 349.475 1.769 20 0 EDADHO N[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953592 447779613 /nfs/dbraw/zinc/77/96/13/447779613.db2.gz FTSSBBHGIYRUBP-QWHCGFSZSA-N 1 3 326.238 1.648 20 0 EDADHO CCOC(=O)[C@H]1NCC[C@@H]1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970421 447784018 /nfs/dbraw/zinc/78/40/18/447784018.db2.gz WOAFYIYDLOFXKC-FOIPXRHGSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H](Cn1cccn1)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000523813182 447909670 /nfs/dbraw/zinc/90/96/70/447909670.db2.gz JSMHJRCJICBMDU-OAHLLOKOSA-N 1 3 348.495 1.129 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530814458 447963688 /nfs/dbraw/zinc/96/36/88/447963688.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 1 3 331.460 1.224 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530814458 447963691 /nfs/dbraw/zinc/96/36/91/447963691.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 1 3 331.460 1.224 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000576144590 447983481 /nfs/dbraw/zinc/98/34/81/447983481.db2.gz QTFPIHBJYLWHFS-FBVQUNGASA-N 1 3 334.460 1.788 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000576144590 447983486 /nfs/dbraw/zinc/98/34/86/447983486.db2.gz QTFPIHBJYLWHFS-FBVQUNGASA-N 1 3 334.460 1.788 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)NC(=O)C1CCCC1 ZINC000531118663 448022152 /nfs/dbraw/zinc/02/21/52/448022152.db2.gz XJYXMMKEWZXBIJ-OAHLLOKOSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCC[C@H]1C ZINC000570634972 448039917 /nfs/dbraw/zinc/03/99/17/448039917.db2.gz QOFXRPKROXWOGD-ILXRZTDVSA-N 1 3 334.468 1.023 20 0 EDADHO CCC[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000571051042 448100313 /nfs/dbraw/zinc/10/03/13/448100313.db2.gz WMNNXLQZNJMSCP-GJZGRUSLSA-N 1 3 349.479 1.060 20 0 EDADHO CN1CCC[C@H](CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000527211125 448183982 /nfs/dbraw/zinc/18/39/82/448183982.db2.gz KLITWUGJJQTWLV-GOSISDBHSA-N 1 3 332.492 1.932 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055628 448250033 /nfs/dbraw/zinc/25/00/33/448250033.db2.gz ZBTAIEBXUZEAPH-SJLPKXTDSA-N 1 3 349.475 1.706 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000572226185 448319092 /nfs/dbraw/zinc/31/90/92/448319092.db2.gz LODNPXQFFAPDPN-INIZCTEOSA-N 1 3 334.464 1.507 20 0 EDADHO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000515382877 448304705 /nfs/dbraw/zinc/30/47/05/448304705.db2.gz DKNUPIHKKYTWLU-QZTJIDSGSA-N 1 3 330.476 1.927 20 0 EDADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000572498794 448396066 /nfs/dbraw/zinc/39/60/66/448396066.db2.gz NPPMLSFHFPKBRX-GBESFXJTSA-N 1 3 342.487 1.948 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380736 /nfs/dbraw/zinc/38/07/36/448380736.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380742 /nfs/dbraw/zinc/38/07/42/448380742.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380749 /nfs/dbraw/zinc/38/07/49/448380749.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 1 3 343.515 1.868 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@@H]1CCCN(C)C1 ZINC000566298720 448439435 /nfs/dbraw/zinc/43/94/35/448439435.db2.gz CSBBKVDNYUEKCG-HLLBOEOZSA-N 1 3 344.459 1.529 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000516653805 448457986 /nfs/dbraw/zinc/45/79/86/448457986.db2.gz WPFREIDWHHXPFZ-APWZRJJASA-N 1 3 344.503 1.438 20 0 EDADHO C[C@H]1CCN(CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000578335828 448521473 /nfs/dbraw/zinc/52/14/73/448521473.db2.gz SGHAQRBASBKPFL-INIZCTEOSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497656 448561016 /nfs/dbraw/zinc/56/10/16/448561016.db2.gz RUUPTNCJNBAONW-DLBZAZTESA-N 1 3 345.491 1.098 20 0 EDADHO COCCNCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000566680606 448537223 /nfs/dbraw/zinc/53/72/23/448537223.db2.gz JRPNLUOFBLBXTJ-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO COCCNCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566680606 448537227 /nfs/dbraw/zinc/53/72/27/448537227.db2.gz JRPNLUOFBLBXTJ-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO CC[C@@H]1CN(Cc2cncc(C[N@@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448552002 /nfs/dbraw/zinc/55/20/02/448552002.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 1 3 333.476 1.487 20 0 EDADHO CC[C@@H]1CN(Cc2cncc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448552009 /nfs/dbraw/zinc/55/20/09/448552009.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 1 3 333.476 1.487 20 0 EDADHO CC[C@@H]1C[N@H+](Cc2cncc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448552012 /nfs/dbraw/zinc/55/20/12/448552012.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 1 3 333.476 1.487 20 0 EDADHO CC[C@@H]1C[N@@H+](Cc2cncc(CN3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448552015 /nfs/dbraw/zinc/55/20/15/448552015.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 1 3 333.476 1.487 20 0 EDADHO CC(C)[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000538987342 448604475 /nfs/dbraw/zinc/60/44/75/448604475.db2.gz UKSGZWOXTRHJIZ-HZPDHXFCSA-N 1 3 328.501 1.325 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000578768761 448634478 /nfs/dbraw/zinc/63/44/78/448634478.db2.gz PNIDRFWAGCTNKP-KSVNGYGVSA-N 1 3 349.519 1.756 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720843 448686425 /nfs/dbraw/zinc/68/64/25/448686425.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 1 3 345.487 1.472 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720843 448686432 /nfs/dbraw/zinc/68/64/32/448686432.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000518756590 448705530 /nfs/dbraw/zinc/70/55/30/448705530.db2.gz RZIYRSDPTWQKBL-OZVIIMIRSA-N 1 3 328.372 1.585 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491540 448684373 /nfs/dbraw/zinc/68/43/73/448684373.db2.gz NXNIRDNRSYUOBE-IRXDYDNUSA-N 1 3 330.476 1.938 20 0 EDADHO COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000574071131 448784387 /nfs/dbraw/zinc/78/43/87/448784387.db2.gz CQYMOSBPRLMIRE-CRAIPNDOSA-N 1 3 328.497 1.786 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529306690 448814572 /nfs/dbraw/zinc/81/45/72/448814572.db2.gz JACRKAUMDYJYKV-WBVHZDCISA-N 1 3 336.480 1.023 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000579567887 448822933 /nfs/dbraw/zinc/82/29/33/448822933.db2.gz BSBCZWBPLHCCHY-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000579567887 448822937 /nfs/dbraw/zinc/82/29/37/448822937.db2.gz BSBCZWBPLHCCHY-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000568371642 448862375 /nfs/dbraw/zinc/86/23/75/448862375.db2.gz NTUYKRHKGAOUNH-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CCCO3)CC2)CC1 ZINC000574583633 448909150 /nfs/dbraw/zinc/90/91/50/448909150.db2.gz YKDYPHHYDMUCSQ-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000574861122 448971673 /nfs/dbraw/zinc/97/16/73/448971673.db2.gz NJIXCBMRQSEQGE-SJORKVTESA-N 1 3 334.464 1.275 20 0 EDADHO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCCN1 ZINC000569211729 448979604 /nfs/dbraw/zinc/97/96/04/448979604.db2.gz BTAVJMPKTPJOMD-IRXDYDNUSA-N 1 3 345.491 1.241 20 0 EDADHO C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCCN1Cc1ccccc1 ZINC000575027323 449016457 /nfs/dbraw/zinc/01/64/57/449016457.db2.gz BJQBGEBORNNZPE-MJGOQNOKSA-N 1 3 346.475 1.410 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000575127830 449042915 /nfs/dbraw/zinc/04/29/15/449042915.db2.gz RPILPWAIOVYXEY-CYBMUJFWSA-N 1 3 331.407 1.135 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000582303881 449062201 /nfs/dbraw/zinc/06/22/01/449062201.db2.gz RNZMATQVMQIAJJ-FVQBIDKESA-N 1 3 344.459 1.178 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720403 449089656 /nfs/dbraw/zinc/08/96/56/449089656.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548720403 449089662 /nfs/dbraw/zinc/08/96/62/449089662.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO c1cn(-c2ccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cn1 ZINC000530240023 449090518 /nfs/dbraw/zinc/09/05/18/449090518.db2.gz JSSCNVDKOUKHJQ-SFHVURJKSA-N 1 3 341.459 1.858 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241913 449091924 /nfs/dbraw/zinc/09/19/24/449091924.db2.gz RTKOBOPYXJONSM-GDBMZVCRSA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)C2)CC1 ZINC000593906778 449277239 /nfs/dbraw/zinc/27/72/39/449277239.db2.gz VBPXJAVMRLYKSD-KZNAEPCWSA-N 1 3 334.508 1.144 20 0 EDADHO COC(=O)CCCC[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000600707315 449507809 /nfs/dbraw/zinc/50/78/09/449507809.db2.gz ALYTWAZOTWGDDF-OAHLLOKOSA-N 1 3 349.479 1.342 20 0 EDADHO COC(=O)CCCC[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000600707315 449507818 /nfs/dbraw/zinc/50/78/18/449507818.db2.gz ALYTWAZOTWGDDF-OAHLLOKOSA-N 1 3 349.479 1.342 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617505009 449649711 /nfs/dbraw/zinc/64/97/11/449649711.db2.gz TUOWMDGCJXBNEQ-AWEZNQCLSA-N 1 3 335.448 1.346 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000617505009 449649716 /nfs/dbraw/zinc/64/97/16/449649716.db2.gz TUOWMDGCJXBNEQ-AWEZNQCLSA-N 1 3 335.448 1.346 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000617505500 449651747 /nfs/dbraw/zinc/65/17/47/449651747.db2.gz FIRIJMONLXSNKT-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000617505500 449651753 /nfs/dbraw/zinc/65/17/53/449651753.db2.gz FIRIJMONLXSNKT-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617506676 449656112 /nfs/dbraw/zinc/65/61/12/449656112.db2.gz VUPBAOSVPVOFJH-SCTDSRPQSA-N 1 3 349.519 1.848 20 0 EDADHO Cc1ccc([C@@H](C)[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617506676 449656116 /nfs/dbraw/zinc/65/61/16/449656116.db2.gz VUPBAOSVPVOFJH-SCTDSRPQSA-N 1 3 349.519 1.848 20 0 EDADHO O=C1CCCN1C[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601062287 449676238 /nfs/dbraw/zinc/67/62/38/449676238.db2.gz ODXZPWYBMIMORH-GOSISDBHSA-N 1 3 337.508 1.558 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629532 449890255 /nfs/dbraw/zinc/89/02/55/449890255.db2.gz NJHPYXYUKYEBCK-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629532 449890260 /nfs/dbraw/zinc/89/02/60/449890260.db2.gz NJHPYXYUKYEBCK-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO CN(C(=O)CCCn1ccnc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601478760 450001646 /nfs/dbraw/zinc/00/16/46/450001646.db2.gz GSRTYZYHHCOLFB-KRWDZBQOSA-N 1 3 333.480 1.290 20 0 EDADHO CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC000599720451 450177138 /nfs/dbraw/zinc/17/71/38/450177138.db2.gz GYRQXBDFEAJBEG-MLHJIOFPSA-N 1 3 347.528 1.836 20 0 EDADHO CS[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1N(C)C ZINC000599720451 450177144 /nfs/dbraw/zinc/17/71/44/450177144.db2.gz GYRQXBDFEAJBEG-MLHJIOFPSA-N 1 3 347.528 1.836 20 0 EDADHO Cc1ccccc1CO[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000625288853 450275430 /nfs/dbraw/zinc/27/54/30/450275430.db2.gz PHKJPPFKRUDOKC-QGZVFWFLSA-N 1 3 335.492 1.852 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@]4(C)C3)CC2)CC1 ZINC000618702426 450276509 /nfs/dbraw/zinc/27/65/09/450276509.db2.gz RCKYRLABFRNMSP-XLIONFOSSA-N 1 3 349.519 1.678 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000603354274 450260189 /nfs/dbraw/zinc/26/01/89/450260189.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000603354274 450260191 /nfs/dbraw/zinc/26/01/91/450260191.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227705 450458680 /nfs/dbraw/zinc/45/86/80/450458680.db2.gz ZNZDIUZCFFQZMM-DZKIICNBSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623227705 450458681 /nfs/dbraw/zinc/45/86/81/450458681.db2.gz ZNZDIUZCFFQZMM-DZKIICNBSA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915184 450560694 /nfs/dbraw/zinc/56/06/94/450560694.db2.gz DRPORUKJEMCKEO-ZACQAIPSSA-N 1 3 337.508 1.961 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000633039383 450636025 /nfs/dbraw/zinc/63/60/25/450636025.db2.gz SWLGEOOOIPFENN-GOEBONIOSA-N 1 3 344.459 1.559 20 0 EDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525287 450726092 /nfs/dbraw/zinc/72/60/92/450726092.db2.gz XIHICKNEPMTERR-MAZHCROVSA-N 1 3 335.415 1.437 20 0 EDADHO CN(CCOCC[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629577382 450745319 /nfs/dbraw/zinc/74/53/19/450745319.db2.gz HEGUHSIXCYPFHU-UHFFFAOYSA-N 1 3 333.354 1.941 20 0 EDADHO CNS(=O)(=O)C[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595357 450755554 /nfs/dbraw/zinc/75/55/54/450755554.db2.gz NFODTEXRWJJLFT-AWEZNQCLSA-N 1 3 337.489 1.094 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000631975543 450934463 /nfs/dbraw/zinc/93/44/63/450934463.db2.gz MCPDHFLVMKTSTI-CTYIDZIISA-N 1 3 325.478 1.544 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCOCC[NH3+])N(C)C ZINC000627033391 451091468 /nfs/dbraw/zinc/09/14/68/451091468.db2.gz IILOZUMHJSVZJY-WBVHZDCISA-N 1 3 336.480 1.603 20 0 EDADHO CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000627248259 451208132 /nfs/dbraw/zinc/20/81/32/451208132.db2.gz UZMPOPOONXRCRH-MRXNPFEDSA-N 1 3 331.464 1.092 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638101071 451267279 /nfs/dbraw/zinc/26/72/79/451267279.db2.gz SNXJIEBOUWNSRR-LMMKCTJWSA-N 1 3 346.519 1.825 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638102615 451268753 /nfs/dbraw/zinc/26/87/53/451268753.db2.gz VDTDCYFPGGNTKC-UHFFFAOYSA-N 1 3 344.503 1.262 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638102615 451268757 /nfs/dbraw/zinc/26/87/57/451268757.db2.gz VDTDCYFPGGNTKC-UHFFFAOYSA-N 1 3 344.503 1.262 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103070 451271176 /nfs/dbraw/zinc/27/11/76/451271176.db2.gz YZCIZHDIGLDKBW-RBUKOAKNSA-N 1 3 344.503 1.533 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000638108965 451276504 /nfs/dbraw/zinc/27/65/04/451276504.db2.gz PODZWNVZUKKARZ-HBFSDRIKSA-N 1 3 343.471 1.617 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000638108965 451276507 /nfs/dbraw/zinc/27/65/07/451276507.db2.gz PODZWNVZUKKARZ-HBFSDRIKSA-N 1 3 343.471 1.617 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111254 451279730 /nfs/dbraw/zinc/27/97/30/451279730.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 1 3 346.519 1.540 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638111254 451279732 /nfs/dbraw/zinc/27/97/32/451279732.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 1 3 346.519 1.540 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638115008 451283171 /nfs/dbraw/zinc/28/31/71/451283171.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 1 3 346.519 1.826 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638115008 451283177 /nfs/dbraw/zinc/28/31/77/451283177.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 1 3 346.519 1.826 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638133327 451305474 /nfs/dbraw/zinc/30/54/74/451305474.db2.gz KPKXMGPFMWDSFJ-INIZCTEOSA-N 1 3 346.475 1.251 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638133327 451305480 /nfs/dbraw/zinc/30/54/80/451305480.db2.gz KPKXMGPFMWDSFJ-INIZCTEOSA-N 1 3 346.475 1.251 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638137090 451309894 /nfs/dbraw/zinc/30/98/94/451309894.db2.gz RFRCJMSOSXGFKD-LJQANCHMSA-N 1 3 342.487 1.488 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201504 451352279 /nfs/dbraw/zinc/35/22/79/451352279.db2.gz MJJCZZFQDDJBQU-GOSISDBHSA-N 1 3 344.503 1.438 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)Nc2ccc3c(c2)CNCCO3)cn1 ZINC000638241652 451376828 /nfs/dbraw/zinc/37/68/28/451376828.db2.gz CSVNTMRNDLUJKX-UHFFFAOYSA-N 1 3 329.404 1.179 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000638286305 451402773 /nfs/dbraw/zinc/40/27/73/451402773.db2.gz POCIGPVCQSJRFA-XPYUAMARSA-N 1 3 331.460 1.390 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CCN(C)C)c1 ZINC000630816949 451418346 /nfs/dbraw/zinc/41/83/46/451418346.db2.gz NRPMTMOJTOVQDP-BZUAXINKSA-N 1 3 335.496 1.541 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638304677 451418677 /nfs/dbraw/zinc/41/86/77/451418677.db2.gz JNWNLXVRHDQOEQ-KDOFPFPSSA-N 1 3 332.448 1.102 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638310821 451424379 /nfs/dbraw/zinc/42/43/79/451424379.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 1 3 344.503 1.388 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638310821 451424383 /nfs/dbraw/zinc/42/43/83/451424383.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 1 3 344.503 1.388 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCOC(C)(C)C2)(N2CCOCC2)CC1 ZINC000634685854 451464123 /nfs/dbraw/zinc/46/41/23/451464123.db2.gz WVWYJPPQCIPXCO-INIZCTEOSA-N 1 3 325.497 1.330 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700551 451475045 /nfs/dbraw/zinc/47/50/45/451475045.db2.gz BKCFJVMKGHPGKZ-MOPGFXCFSA-N 1 3 339.524 1.047 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700551 451475050 /nfs/dbraw/zinc/47/50/50/451475050.db2.gz BKCFJVMKGHPGKZ-MOPGFXCFSA-N 1 3 339.524 1.047 20 0 EDADHO COc1cccc([C@@H](N)C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000638336718 451441692 /nfs/dbraw/zinc/44/16/92/451441692.db2.gz WVZVRWYKGAQYAE-LEOMRAHMSA-N 1 3 346.475 1.028 20 0 EDADHO COc1cccc([C@@H](N)C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1 ZINC000638336718 451441696 /nfs/dbraw/zinc/44/16/96/451441696.db2.gz WVZVRWYKGAQYAE-LEOMRAHMSA-N 1 3 346.475 1.028 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786357 451507003 /nfs/dbraw/zinc/50/70/03/451507003.db2.gz PSOGWXRVACXRJY-ROUUACIJSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786357 451507007 /nfs/dbraw/zinc/50/70/07/451507007.db2.gz PSOGWXRVACXRJY-ROUUACIJSA-N 1 3 346.475 1.017 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638546202 451571315 /nfs/dbraw/zinc/57/13/15/451571315.db2.gz CITSPSRFCSEGDE-MJBXVCDLSA-N 1 3 329.366 1.542 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CCN1C ZINC000631079354 451572103 /nfs/dbraw/zinc/57/21/03/451572103.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@@H](NCc2ccc(OCCN3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079354 451572106 /nfs/dbraw/zinc/57/21/06/451572106.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@@H](NCc2ccc(OCCN3CCOCC3)cc2)CC[N@H+]1C ZINC000631079354 451572109 /nfs/dbraw/zinc/57/21/09/451572109.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000638571882 451583474 /nfs/dbraw/zinc/58/34/74/451583474.db2.gz BAUNKGMDINJOHG-ZWKOTPCHSA-N 1 3 330.476 1.699 20 0 EDADHO Cn1c(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc2ccccc21 ZINC000638572098 451583670 /nfs/dbraw/zinc/58/36/70/451583670.db2.gz UEVUIBSEGVRVPV-INIZCTEOSA-N 1 3 328.460 1.855 20 0 EDADHO CC(C)[C@@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640836470 451621037 /nfs/dbraw/zinc/62/10/37/451621037.db2.gz FPYGVRATZJQTSK-SJLPKXTDSA-N 1 3 344.463 1.353 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C[NH2+]1 ZINC000638641702 451627175 /nfs/dbraw/zinc/62/71/75/451627175.db2.gz UBAZKZXYOSSGSZ-OCCSQVGLSA-N 1 3 345.447 1.174 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCCCC[C@H]([NH3+])C3)n2)CC1 ZINC000632941196 451661407 /nfs/dbraw/zinc/66/14/07/451661407.db2.gz VSKZOMJAGUHEGF-AWEZNQCLSA-N 1 3 334.468 1.885 20 0 EDADHO CN(C)C[C@@H](NC(=O)COCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638831187 451704758 /nfs/dbraw/zinc/70/47/58/451704758.db2.gz JLHLMLLKIGSZIS-CYBMUJFWSA-N 1 3 333.354 1.400 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000637078207 451712004 /nfs/dbraw/zinc/71/20/04/451712004.db2.gz ASAUKPHNVUKAJA-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000631412723 451729072 /nfs/dbraw/zinc/72/90/72/451729072.db2.gz XXGCPBLAWBGSEV-QGZVFWFLSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266449 451775063 /nfs/dbraw/zinc/77/50/63/451775063.db2.gz YGAMZQCWWUHJRC-NPJQDHAYSA-N 1 3 328.501 1.370 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H](C)O[C@@H](C)[C@H]1C ZINC000637266449 451775066 /nfs/dbraw/zinc/77/50/66/451775066.db2.gz YGAMZQCWWUHJRC-NPJQDHAYSA-N 1 3 328.501 1.370 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000639169645 451783756 /nfs/dbraw/zinc/78/37/56/451783756.db2.gz MBCJAUUFPGJCGD-UHFFFAOYSA-N 1 3 348.491 1.847 20 0 EDADHO CN1CCC(C[NH2+]Cc2cccc(F)c2N)(N2CCOCC2)CC1 ZINC000639262522 451801130 /nfs/dbraw/zinc/80/11/30/451801130.db2.gz YOOXZCLTJAVBAE-UHFFFAOYSA-N 1 3 336.455 1.294 20 0 EDADHO O=C(NCCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000653272022 451807215 /nfs/dbraw/zinc/80/72/15/451807215.db2.gz VOOCMDFKXPTMOL-SFHVURJKSA-N 1 3 330.476 1.800 20 0 EDADHO O=C(CCNCC1([NH+]2CCCC2)CCOCC1)Nc1cccnc1 ZINC000644547356 451854259 /nfs/dbraw/zinc/85/42/59/451854259.db2.gz IYJUNWWFZGXQQA-UHFFFAOYSA-N 1 3 332.448 1.645 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000644561570 451861928 /nfs/dbraw/zinc/86/19/28/451861928.db2.gz AXIPPKZJEXYZNF-PKOBYXMFSA-N 1 3 347.503 1.493 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COC1CCOCC1 ZINC000644582541 451875692 /nfs/dbraw/zinc/87/56/92/451875692.db2.gz VJLOVVQRRUSPNO-SFHVURJKSA-N 1 3 340.508 1.930 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]1 ZINC000649278623 451950012 /nfs/dbraw/zinc/95/00/12/451950012.db2.gz RBELKKVPDRYKCO-PKOBYXMFSA-N 1 3 331.460 1.708 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000649273638 451946129 /nfs/dbraw/zinc/94/61/29/451946129.db2.gz YPNNOIFVZMSZOY-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CNCCC1(F)F ZINC000649308501 451984931 /nfs/dbraw/zinc/98/49/31/451984931.db2.gz KQEQHRXDFHTFQO-CQSZACIVSA-N 1 3 341.402 1.488 20 0 EDADHO CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000649311704 451990076 /nfs/dbraw/zinc/99/00/76/451990076.db2.gz GZKXXSADDYZMIB-LPHOPBHVSA-N 1 3 344.503 1.922 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)[C@]2(N)CCN(C)C2)CCCC1)c1ccccc1 ZINC000649331707 452013012 /nfs/dbraw/zinc/01/30/12/452013012.db2.gz PFJVYVHJKMJRRW-UZLBHIALSA-N 1 3 344.503 1.799 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000649332172 452013499 /nfs/dbraw/zinc/01/34/99/452013499.db2.gz ASYVWEZZBKMASF-MRXNPFEDSA-N 1 3 344.459 1.449 20 0 EDADHO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649344610 452024131 /nfs/dbraw/zinc/02/41/31/452024131.db2.gz HDBWFPWFMHZHAN-WMZOPIPTSA-N 1 3 331.460 1.345 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856026 452030948 /nfs/dbraw/zinc/03/09/48/452030948.db2.gz HEQCFMKZCMWKOD-MSOLQXFVSA-N 1 3 344.503 1.986 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856026 452030952 /nfs/dbraw/zinc/03/09/52/452030952.db2.gz HEQCFMKZCMWKOD-MSOLQXFVSA-N 1 3 344.503 1.986 20 0 EDADHO CCN(C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074917 /nfs/dbraw/zinc/07/49/17/452074917.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 1 3 325.884 1.987 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414688 452075821 /nfs/dbraw/zinc/07/58/21/452075821.db2.gz QUPFKPHEMHRONM-QGZVFWFLSA-N 1 3 332.492 1.359 20 0 EDADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCCN1CCCC1 ZINC000641623180 452142887 /nfs/dbraw/zinc/14/28/87/452142887.db2.gz GANWIQPRIZYHJW-SJORKVTESA-N 1 3 345.553 1.854 20 0 EDADHO C[C@@H](Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000643465649 452236155 /nfs/dbraw/zinc/23/61/55/452236155.db2.gz KMYZTWQVCGNXRO-KDOFPFPSSA-N 1 3 330.476 1.936 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659438070 452286641 /nfs/dbraw/zinc/28/66/41/452286641.db2.gz OJGAPCZPXKDHIP-HFCFLWKCSA-N 1 3 328.460 1.784 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C[C@@H](O)CN(C)CCOC)CC1 ZINC000639986418 452317557 /nfs/dbraw/zinc/31/75/57/452317557.db2.gz MKQRUGOAHWIZAX-KRWDZBQOSA-N 1 3 327.513 1.266 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCOC1 ZINC000638050065 452319376 /nfs/dbraw/zinc/31/93/76/452319376.db2.gz JTFBDGIPKMYYKY-IEBWSBKVSA-N 1 3 331.460 1.695 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)CN1Cc1ccccc1 ZINC000659468531 452325466 /nfs/dbraw/zinc/32/54/66/452325466.db2.gz BPPYFTXTYMLLLZ-HCMQPCSISA-N 1 3 328.460 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000665762404 452340680 /nfs/dbraw/zinc/34/06/80/452340680.db2.gz CRUMYFVLWMPNSD-JKSUJKDBSA-N 1 3 336.484 1.112 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000665762404 452340694 /nfs/dbraw/zinc/34/06/94/452340694.db2.gz CRUMYFVLWMPNSD-JKSUJKDBSA-N 1 3 336.484 1.112 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC000665763622 452344465 /nfs/dbraw/zinc/34/44/65/452344465.db2.gz HITCGPDQFFDWIM-ULQDDVLXSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](C)[C@@H]1CCO ZINC000665763622 452344476 /nfs/dbraw/zinc/34/44/76/452344476.db2.gz HITCGPDQFFDWIM-ULQDDVLXSA-N 1 3 342.528 1.451 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000659485463 452345594 /nfs/dbraw/zinc/34/55/94/452345594.db2.gz QMOOSNAMRNBBNT-KRWDZBQOSA-N 1 3 348.491 1.656 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000638066154 452370544 /nfs/dbraw/zinc/37/05/44/452370544.db2.gz DMFOQRMPGCBRPD-HKUYNNGSSA-N 1 3 347.459 1.349 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511679 452376121 /nfs/dbraw/zinc/37/61/21/452376121.db2.gz ZHUNDTUQEDBLBC-SFHVURJKSA-N 1 3 330.476 1.697 20 0 EDADHO [NH3+]C1CCC(NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659518725 452382115 /nfs/dbraw/zinc/38/21/15/452382115.db2.gz JMXVXBFWHUPYEY-UHFFFAOYSA-N 1 3 345.491 1.863 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1Cl ZINC000638079745 452394311 /nfs/dbraw/zinc/39/43/11/452394311.db2.gz HOEPAWVGGGIFAB-GXTWGEPZSA-N 1 3 327.812 1.335 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659537604 452398493 /nfs/dbraw/zinc/39/84/93/452398493.db2.gz SWMDMRZYEVBFNZ-YJBOKZPZSA-N 1 3 345.491 1.591 20 0 EDADHO CN1CCN(CCCNC(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000645434678 452406090 /nfs/dbraw/zinc/40/60/90/452406090.db2.gz QWZPTCAQWIUOQM-SFHVURJKSA-N 1 3 344.503 1.753 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000645452534 452420960 /nfs/dbraw/zinc/42/09/60/452420960.db2.gz QSUFNPUVKBXAAX-SFHVURJKSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582172 452438824 /nfs/dbraw/zinc/43/88/24/452438824.db2.gz QFIFDXFTHFBKDB-NSNWQYSKSA-N 1 3 334.439 1.663 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492246 /nfs/dbraw/zinc/49/22/46/452492246.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492251 /nfs/dbraw/zinc/49/22/51/452492251.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000654443835 452506452 /nfs/dbraw/zinc/50/64/52/452506452.db2.gz BKKGDUZEMRKJOC-JKSUJKDBSA-N 1 3 338.496 1.413 20 0 EDADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000647791581 452524471 /nfs/dbraw/zinc/52/44/71/452524471.db2.gz HVUHYEJRPMIGRE-QXSJWSMHSA-N 1 3 329.444 1.778 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352683 452528990 /nfs/dbraw/zinc/52/89/90/452528990.db2.gz MYWHQAGYDJYHIG-BJLQDIEVSA-N 1 3 344.503 1.466 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000655762735 452565379 /nfs/dbraw/zinc/56/53/79/452565379.db2.gz IIZMKGAQRADCTC-SFHVURJKSA-N 1 3 338.540 1.245 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(C(F)(F)F)nc1 ZINC000640282339 452581344 /nfs/dbraw/zinc/58/13/44/452581344.db2.gz RYHWKWQRVQLISW-UHFFFAOYSA-N 1 3 348.373 1.453 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CN(C[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884402 452624010 /nfs/dbraw/zinc/62/40/10/452624010.db2.gz LSVBLLIXKLKWDV-WMZOPIPTSA-N 1 3 349.475 1.705 20 0 EDADHO NC[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000655920653 452683278 /nfs/dbraw/zinc/68/32/78/452683278.db2.gz LUXFTUPHAQYKDE-CYBMUJFWSA-N 1 3 336.402 1.972 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655959620 452741618 /nfs/dbraw/zinc/74/16/18/452741618.db2.gz VAVPFJKTOGWCRY-IRXDYDNUSA-N 1 3 344.459 1.478 20 0 EDADHO Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666309771 452769949 /nfs/dbraw/zinc/76/99/49/452769949.db2.gz UGBNNIGZJJIRJS-AWEZNQCLSA-N 1 3 337.468 1.087 20 0 EDADHO Cc1ccn(C)c(=O)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666309771 452769954 /nfs/dbraw/zinc/76/99/54/452769954.db2.gz UGBNNIGZJJIRJS-AWEZNQCLSA-N 1 3 337.468 1.087 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662052030 452799998 /nfs/dbraw/zinc/79/99/98/452799998.db2.gz YXLWMPFTIRPFCH-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662052030 452800005 /nfs/dbraw/zinc/80/00/05/452800005.db2.gz YXLWMPFTIRPFCH-GOSISDBHSA-N 1 3 336.524 1.347 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648160076 452869922 /nfs/dbraw/zinc/86/99/22/452869922.db2.gz WJDOOIRCNXJDNF-OKZBNKHCSA-N 1 3 330.476 1.737 20 0 EDADHO COCCCn1nccc1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708369 452945469 /nfs/dbraw/zinc/94/54/69/452945469.db2.gz YUSWIQXIWFUNMC-LZLYRXPVSA-N 1 3 336.480 1.638 20 0 EDADHO CC[NH2+]CC1CCN(Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000662243284 452970228 /nfs/dbraw/zinc/97/02/28/452970228.db2.gz ANKHSTXEUWYVOW-UHFFFAOYSA-N 1 3 325.478 1.416 20 0 EDADHO COc1cc2c(cc1OC)CCN(C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662254368 452982578 /nfs/dbraw/zinc/98/25/78/452982578.db2.gz PRUOMRVVIJQWCM-INIZCTEOSA-N 1 3 332.444 1.625 20 0 EDADHO C[C@H](CC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000646003203 452999168 /nfs/dbraw/zinc/99/91/68/452999168.db2.gz WJSGUVJUOSJLQW-KZNAEPCWSA-N 1 3 336.524 1.251 20 0 EDADHO C(CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1)CN1CCOCC1 ZINC000662278953 453005681 /nfs/dbraw/zinc/00/56/81/453005681.db2.gz OKXWDNPHGGSWGE-SFHVURJKSA-N 1 3 337.508 1.332 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298186 453020866 /nfs/dbraw/zinc/02/08/66/453020866.db2.gz UTWWZMWQLIPSBM-SFHVURJKSA-N 1 3 339.524 1.877 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654967 453040616 /nfs/dbraw/zinc/04/06/16/453040616.db2.gz WCXMNRKKSQPHJK-MOPGFXCFSA-N 1 3 345.487 1.517 20 0 EDADHO Cc1ncc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338945 453055301 /nfs/dbraw/zinc/05/53/01/453055301.db2.gz XMNDQTFCAMVRBR-CQSZACIVSA-N 1 3 346.504 1.964 20 0 EDADHO CC(C)COCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339003 453055692 /nfs/dbraw/zinc/05/56/92/453055692.db2.gz ZCDMHVSGDZCIDP-INIZCTEOSA-N 1 3 335.496 1.671 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664410380 453071809 /nfs/dbraw/zinc/07/18/09/453071809.db2.gz ZJXZPNWSVLNKJX-OIISXLGYSA-N 1 3 338.496 1.221 20 0 EDADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CNCCC1(F)F ZINC000644149666 453081689 /nfs/dbraw/zinc/08/16/89/453081689.db2.gz COIVXRIFKHYLJL-OAHLLOKOSA-N 1 3 338.402 1.659 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CC2CN(C)C2)ccc1C[NH+](C)C ZINC000658540904 453099154 /nfs/dbraw/zinc/09/91/54/453099154.db2.gz FFEVCUDBELWGFO-UHFFFAOYSA-N 1 3 332.448 1.015 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000646105699 453109603 /nfs/dbraw/zinc/10/96/03/453109603.db2.gz CZOZBWNWWFTMNJ-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000666754342 453117771 /nfs/dbraw/zinc/11/77/71/453117771.db2.gz LGFXKKNLJZYARJ-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO Cc1cc(C[C@H](C)NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n[nH]1 ZINC000664475503 453126915 /nfs/dbraw/zinc/12/69/15/453126915.db2.gz PHJHLXGFVSMQFV-ZFWWWQNUSA-N 1 3 338.500 1.220 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000664524706 453164465 /nfs/dbraw/zinc/16/44/65/453164465.db2.gz YOHMJZXWMIHVFB-LSDHHAIUSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000664524706 453164470 /nfs/dbraw/zinc/16/44/70/453164470.db2.gz YOHMJZXWMIHVFB-LSDHHAIUSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000646186654 453200088 /nfs/dbraw/zinc/20/00/88/453200088.db2.gz DIJZKNQMZSGSMZ-HOTGVXAUSA-N 1 3 348.495 1.019 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222609 /nfs/dbraw/zinc/22/26/09/453222609.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222615 /nfs/dbraw/zinc/22/26/15/453222615.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C[C@H](C)C3)CC2)CC1 ZINC000655141351 453254938 /nfs/dbraw/zinc/25/49/38/453254938.db2.gz CWIWHXWUXYECDO-MAUKXSAKSA-N 1 3 337.508 1.412 20 0 EDADHO C[C@@H](CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[NH+](C)C ZINC000664626842 453262393 /nfs/dbraw/zinc/26/23/93/453262393.db2.gz UMPNIELBCFWMRQ-MAUKXSAKSA-N 1 3 348.491 1.393 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662575837 453303698 /nfs/dbraw/zinc/30/36/98/453303698.db2.gz QVXNWFXDMATQRI-BHIYHBOVSA-N 1 3 343.471 1.966 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192205 453381512 /nfs/dbraw/zinc/38/15/12/453381512.db2.gz ITRCBHQWEPOMQI-MLHJIOFPSA-N 1 3 331.460 1.301 20 0 EDADHO CCN(C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000664758950 453383386 /nfs/dbraw/zinc/38/33/86/453383386.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)[C@H]1CCN(CC)C1 ZINC000664758950 453383394 /nfs/dbraw/zinc/38/33/94/453383394.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667119512 453417374 /nfs/dbraw/zinc/41/73/74/453417374.db2.gz SHMMQNZSVFTZJM-HNNXBMFYSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@]1(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787691 453447087 /nfs/dbraw/zinc/44/70/87/453447087.db2.gz RUEVVWQVAFLBCB-FCEWJHQRSA-N 1 3 327.428 1.103 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CCN(C2CCC2)C1 ZINC000667163620 453448426 /nfs/dbraw/zinc/44/84/26/453448426.db2.gz MYQMGGOIPYWFHD-AWEZNQCLSA-N 1 3 344.459 1.417 20 0 EDADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747736 453476312 /nfs/dbraw/zinc/47/63/12/453476312.db2.gz DCEQUFNCQAEGJE-GOSISDBHSA-N 1 3 345.487 1.648 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662749398 453480818 /nfs/dbraw/zinc/48/08/18/453480818.db2.gz LHGFLICUXJRVLV-KRWDZBQOSA-N 1 3 345.487 1.905 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493708 /nfs/dbraw/zinc/49/37/08/453493708.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 1 3 348.443 1.573 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660658096 453493713 /nfs/dbraw/zinc/49/37/13/453493713.db2.gz BUJBXZZXFIVVBF-KXBFYZLASA-N 1 3 348.443 1.573 20 0 EDADHO [NH3+][C@H]1C[C@H](C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)C1 ZINC000662759145 453498263 /nfs/dbraw/zinc/49/82/63/453498263.db2.gz SXJQDLZMYYAMCE-WKILWMFISA-N 1 3 328.460 1.894 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703645 453528864 /nfs/dbraw/zinc/52/88/64/453528864.db2.gz FTQKZAMYWDYELU-HOTGVXAUSA-N 1 3 326.485 1.127 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662830104 453555507 /nfs/dbraw/zinc/55/55/07/453555507.db2.gz JLGPKYOJSGRSIY-KFWWJZLASA-N 1 3 349.500 1.895 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cccc4c3CCNC4)C2)C1 ZINC000662829010 453556033 /nfs/dbraw/zinc/55/60/33/453556033.db2.gz OEWGEOVTHBWJIY-GPMSIDNRSA-N 1 3 343.471 1.691 20 0 EDADHO CC(C)(N)c1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)on1 ZINC000662877733 453584312 /nfs/dbraw/zinc/58/43/12/453584312.db2.gz GAXRUVRSGRXWFO-CQSZACIVSA-N 1 3 330.388 1.782 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659034554 453591221 /nfs/dbraw/zinc/59/12/21/453591221.db2.gz OGGLPFDYCZCKAH-PBHICJAKSA-N 1 3 332.448 1.811 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659034554 453591228 /nfs/dbraw/zinc/59/12/28/453591228.db2.gz OGGLPFDYCZCKAH-PBHICJAKSA-N 1 3 332.448 1.811 20 0 EDADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[C@@H]2C1 ZINC000659038294 453593540 /nfs/dbraw/zinc/59/35/40/453593540.db2.gz OHRXRROWDKBQOZ-ZTFGCOKTSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)[C@@H]2C1 ZINC000659038294 453593543 /nfs/dbraw/zinc/59/35/43/453593543.db2.gz OHRXRROWDKBQOZ-ZTFGCOKTSA-N 1 3 344.459 1.905 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871084 453625287 /nfs/dbraw/zinc/62/52/87/453625287.db2.gz XGQRSRTXLQISRR-UNEWFSDZSA-N 1 3 336.480 1.164 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000660871084 453625289 /nfs/dbraw/zinc/62/52/89/453625289.db2.gz XGQRSRTXLQISRR-UNEWFSDZSA-N 1 3 336.480 1.164 20 0 EDADHO CNC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000665334992 453655061 /nfs/dbraw/zinc/65/50/61/453655061.db2.gz GOVCNDOJXYBNHG-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CNC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000665334992 453655064 /nfs/dbraw/zinc/65/50/64/453655064.db2.gz GOVCNDOJXYBNHG-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000665356450 453664380 /nfs/dbraw/zinc/66/43/80/453664380.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661091045 453711254 /nfs/dbraw/zinc/71/12/54/453711254.db2.gz DVXWIPDJPVAEKK-HXUWFJFHSA-N 1 3 333.520 1.938 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661091045 453711258 /nfs/dbraw/zinc/71/12/58/453711258.db2.gz DVXWIPDJPVAEKK-HXUWFJFHSA-N 1 3 333.520 1.938 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661316902 453791152 /nfs/dbraw/zinc/79/11/52/453791152.db2.gz YMOICXRHUNJWIG-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000661316902 453791153 /nfs/dbraw/zinc/79/11/53/453791153.db2.gz YMOICXRHUNJWIG-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415545424 486750512 /nfs/dbraw/zinc/75/05/12/486750512.db2.gz KHHOUKUZDVKDFL-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)C1CCN(C)CC1 ZINC000680352254 486756865 /nfs/dbraw/zinc/75/68/65/486756865.db2.gz MTDRZAYKTLPDMF-MAUKXSAKSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687311 486761616 /nfs/dbraw/zinc/76/16/16/486761616.db2.gz KQKAOGRCLAKMIO-GDBMZVCRSA-N 1 3 334.468 1.535 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000667507388 486813938 /nfs/dbraw/zinc/81/39/38/486813938.db2.gz QXRDBKLMYPOGBT-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699807 486846911 /nfs/dbraw/zinc/84/69/11/486846911.db2.gz FLSPQLYRNLVTPY-ROUUACIJSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676699807 486846916 /nfs/dbraw/zinc/84/69/16/486846916.db2.gz FLSPQLYRNLVTPY-ROUUACIJSA-N 1 3 335.492 1.763 20 0 EDADHO O=C1C[C@]2(CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026724 486916966 /nfs/dbraw/zinc/91/69/66/486916966.db2.gz HLVAQAUVEWSNLF-HXUWFJFHSA-N 1 3 343.471 1.873 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)N1CCCCC1 ZINC000684174508 486968538 /nfs/dbraw/zinc/96/85/38/486968538.db2.gz JXXZVBDQAHRTSX-AEFFLSMTSA-N 1 3 325.497 1.412 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681214329 486975284 /nfs/dbraw/zinc/97/52/84/486975284.db2.gz GZOUZDDFYAULTM-QGZVFWFLSA-N 1 3 348.495 1.001 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681214329 486975277 /nfs/dbraw/zinc/97/52/77/486975277.db2.gz GZOUZDDFYAULTM-QGZVFWFLSA-N 1 3 348.495 1.001 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681214329 486975280 /nfs/dbraw/zinc/97/52/80/486975280.db2.gz GZOUZDDFYAULTM-QGZVFWFLSA-N 1 3 348.495 1.001 20 0 EDADHO Cc1cn(C)nc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000668209139 487144472 /nfs/dbraw/zinc/14/44/72/487144472.db2.gz VBOWMGTZGKVTKW-UHFFFAOYSA-N 1 3 334.468 1.409 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000674329806 487238359 /nfs/dbraw/zinc/23/83/59/487238359.db2.gz OLMCWUJXQOOJSL-AWEZNQCLSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000669517767 485484362 /nfs/dbraw/zinc/48/43/62/485484362.db2.gz SCCVGLXUQFYGSP-MRXNPFEDSA-N 1 3 348.491 1.704 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000669530062 485505001 /nfs/dbraw/zinc/50/50/01/485505001.db2.gz PGVZEVQBWSOLFZ-JKSUJKDBSA-N 1 3 338.496 1.258 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570864 485592450 /nfs/dbraw/zinc/59/24/50/485592450.db2.gz BKEJVJGBXCIWRE-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345381278 485973921 /nfs/dbraw/zinc/97/39/21/485973921.db2.gz RFYLQPPJTXTAJV-KURKYZTESA-N 1 3 339.524 1.826 20 0 EDADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345925985 485985171 /nfs/dbraw/zinc/98/51/71/485985171.db2.gz AEMZVFLUFJFVSQ-SJORKVTESA-N 1 3 325.497 1.534 20 0 EDADHO CN(c1ccccc1CN1CCC(CO)(CO)C1)C1CC[NH+](C)CC1 ZINC000668665256 486015140 /nfs/dbraw/zinc/01/51/40/486015140.db2.gz KRQJNBQNCROJFZ-UHFFFAOYSA-N 1 3 347.503 1.394 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420237 486139438 /nfs/dbraw/zinc/13/94/38/486139438.db2.gz FXKMBMGPNPJEMH-MSOLQXFVSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669426300 486146766 /nfs/dbraw/zinc/14/67/66/486146766.db2.gz GUKMSIWDUPUUTM-RDJZCZTQSA-N 1 3 346.475 1.520 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000669496491 486271619 /nfs/dbraw/zinc/27/16/19/486271619.db2.gz ZYOZMIBWLRXDBN-KRWDZBQOSA-N 1 3 330.476 1.527 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCCO1 ZINC000683375912 491012514 /nfs/dbraw/zinc/01/25/14/491012514.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCO1 ZINC000683375912 491012515 /nfs/dbraw/zinc/01/25/15/491012515.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375566 491012537 /nfs/dbraw/zinc/01/25/37/491012537.db2.gz DRWUXPOPXCEGEJ-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO CN(CCCC[NH+](C)C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000081790160 491181015 /nfs/dbraw/zinc/18/10/15/491181015.db2.gz WSHCUJFSBQCWOO-UHFFFAOYSA-N 1 3 346.519 1.999 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000153233210 534415488 /nfs/dbraw/zinc/41/54/88/534415488.db2.gz NXCURYNUOGDBAA-HZPDHXFCSA-N 1 3 330.476 1.256 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000261916728 535534101 /nfs/dbraw/zinc/53/41/01/535534101.db2.gz QXKLXFUZLNZSJR-QAPCUYQASA-N 1 3 325.497 1.850 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000252442436 536859965 /nfs/dbraw/zinc/85/99/65/536859965.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000252442436 536859970 /nfs/dbraw/zinc/85/99/70/536859970.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCNC(=S)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743035456 579468598 /nfs/dbraw/zinc/46/85/98/579468598.db2.gz DRBMUGXCOOVVGS-QGZVFWFLSA-N 1 3 334.533 1.876 20 0 EDADHO CN(C)CCNC(=S)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743035456 579468601 /nfs/dbraw/zinc/46/86/01/579468601.db2.gz DRBMUGXCOOVVGS-QGZVFWFLSA-N 1 3 334.533 1.876 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCn1ccnc1C ZINC000725896868 578301796 /nfs/dbraw/zinc/30/17/96/578301796.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 1 3 349.523 1.846 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCn1ccnc1C ZINC000725896868 578301797 /nfs/dbraw/zinc/30/17/97/578301797.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 1 3 349.523 1.846 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760495200 580032104 /nfs/dbraw/zinc/03/21/04/580032104.db2.gz HNZXSLKHUXPOOS-UHFFFAOYSA-N 1 3 338.521 1.860 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)N[C@H](C)COC ZINC000751011377 579791149 /nfs/dbraw/zinc/79/11/49/579791149.db2.gz OPGZPTPRHFBZRK-HUUCEWRRSA-N 1 3 330.542 1.244 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)N[C@H](C)COC ZINC000751011377 579791150 /nfs/dbraw/zinc/79/11/50/579791150.db2.gz OPGZPTPRHFBZRK-HUUCEWRRSA-N 1 3 330.542 1.244 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1scnc1Br ZINC000758278419 579978905 /nfs/dbraw/zinc/97/89/05/579978905.db2.gz GHMLLLFRJAGREF-UHFFFAOYSA-N 1 3 349.298 1.471 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000787349550 580693783 /nfs/dbraw/zinc/69/37/83/580693783.db2.gz OAHSICBSCVPDAK-SFHVURJKSA-N 1 3 335.492 1.620 20 0 EDADHO CN(C)Cc1cnc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000796303147 580950411 /nfs/dbraw/zinc/95/04/11/580950411.db2.gz HKKDTFBOWCTWIZ-AWEZNQCLSA-N 1 3 337.537 1.463 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000892134719 590817100 /nfs/dbraw/zinc/81/71/00/590817100.db2.gz OLYZYXKKQOGGOE-HNNXBMFYSA-N 1 3 328.501 1.504 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892333427 590960997 /nfs/dbraw/zinc/96/09/97/590960997.db2.gz DESTYRUUIUHKBO-UHFFFAOYSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891349470 591054167 /nfs/dbraw/zinc/05/41/67/591054167.db2.gz IJZDFFAADRFYDP-AGIUHOORSA-N 1 3 336.402 1.639 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530588 591060016 /nfs/dbraw/zinc/06/00/16/591060016.db2.gz RVYXFKSFOBHGKH-ICSRJNTNSA-N 1 3 342.487 1.964 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893742923 591072887 /nfs/dbraw/zinc/07/28/87/591072887.db2.gz MXQFNGVYJXBEKR-PVAVHDDUSA-N 1 3 338.496 1.148 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000893873938 591124686 /nfs/dbraw/zinc/12/46/86/591124686.db2.gz DUDGFTNCEKUTML-BSDSXHPESA-N 1 3 328.460 1.777 20 0 EDADHO CCN(C(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000891598217 591142947 /nfs/dbraw/zinc/14/29/47/591142947.db2.gz YWJHJEXTMQXEKQ-KRWDZBQOSA-N 1 3 330.476 1.479 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892789378 591179044 /nfs/dbraw/zinc/17/90/44/591179044.db2.gz NPCFIJRPXVOAEL-KRWDZBQOSA-N 1 3 346.475 1.240 20 0 EDADHO C[NH+]1CCC(C[NH2+]Cc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)CC1 ZINC000892804926 591187859 /nfs/dbraw/zinc/18/78/59/591187859.db2.gz AOOJBLSCABQAJX-SFHVURJKSA-N 1 3 330.432 1.173 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892815004 591190965 /nfs/dbraw/zinc/19/09/65/591190965.db2.gz XTUAMTHAMXZNKH-GOSISDBHSA-N 1 3 330.476 1.684 20 0 EDADHO CN1CC[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722497 591198785 /nfs/dbraw/zinc/19/87/85/591198785.db2.gz CWFPPZVODUCLKU-MJQMVNBJSA-N 1 3 328.460 1.683 20 0 EDADHO C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1=CCN(C)CC1 ZINC000891766855 591217331 /nfs/dbraw/zinc/21/73/31/591217331.db2.gz YEIUZLSRMRJTCB-ZBFHGGJFSA-N 1 3 336.480 1.095 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894174380 591217403 /nfs/dbraw/zinc/21/74/03/591217403.db2.gz SFJMPUKMICCIKQ-KGLIPLIRSA-N 1 3 333.423 1.048 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781448 591273800 /nfs/dbraw/zinc/27/38/00/591273800.db2.gz TYULQLNTFUUJHM-MDZRGWNJSA-N 1 3 349.519 1.961 20 0 EDADHO CN1CCC(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000895932280 591306401 /nfs/dbraw/zinc/30/64/01/591306401.db2.gz MAMUNEOYCDDRNA-SQNIBIBYSA-N 1 3 337.508 1.460 20 0 EDADHO CN1CCC(C[N@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000895932280 591306404 /nfs/dbraw/zinc/30/64/04/591306404.db2.gz MAMUNEOYCDDRNA-SQNIBIBYSA-N 1 3 337.508 1.460 20 0 EDADHO COCCOC[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000894924773 591479021 /nfs/dbraw/zinc/47/90/21/591479021.db2.gz AVAFJLSURAMBAX-QGZVFWFLSA-N 1 3 336.476 1.655 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000896907631 591672245 /nfs/dbraw/zinc/67/22/45/591672245.db2.gz PKUNQKVKIOKGAE-HNNXBMFYSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704794 /nfs/dbraw/zinc/70/47/94/591704794.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704798 /nfs/dbraw/zinc/70/47/98/591704798.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[C@@H](C(=O)NCC[N@H+](C)CCO)N1CCC(Cc2ccccc2)CC1 ZINC000899733876 591929738 /nfs/dbraw/zinc/92/97/38/591929738.db2.gz LTIOJIJXCRCQNH-KRWDZBQOSA-N 1 3 347.503 1.370 20 0 EDADHO C[C@@H](C(=O)NCC[N@@H+](C)CCO)N1CCC(Cc2ccccc2)CC1 ZINC000899733876 591929741 /nfs/dbraw/zinc/92/97/41/591929741.db2.gz LTIOJIJXCRCQNH-KRWDZBQOSA-N 1 3 347.503 1.370 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900214334 591945388 /nfs/dbraw/zinc/94/53/88/591945388.db2.gz CDIJAKLVNAUFCP-INIZCTEOSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900214334 591945390 /nfs/dbraw/zinc/94/53/90/591945390.db2.gz CDIJAKLVNAUFCP-INIZCTEOSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnn1CCN(C)C ZINC000900354169 591993360 /nfs/dbraw/zinc/99/33/60/591993360.db2.gz UXXIPUPRAJCPDI-BZUAXINKSA-N 1 3 335.496 1.541 20 0 EDADHO Cn1nnnc1CCCN[C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902457939 592000149 /nfs/dbraw/zinc/00/01/49/592000149.db2.gz VRDQNUNCRWZNCW-OAHLLOKOSA-N 1 3 338.406 1.881 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)CCN2CCN(C(C)C)CC2)CC1 ZINC000900401376 592008622 /nfs/dbraw/zinc/00/86/22/592008622.db2.gz WDBYAIBGKLPRCF-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)c1nnc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000902806144 592062920 /nfs/dbraw/zinc/06/29/20/592062920.db2.gz LVTDLLUWJQTYQK-WDEREUQCSA-N 1 3 325.438 1.523 20 0 EDADHO CC(C)c1nnc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000902806144 592062921 /nfs/dbraw/zinc/06/29/21/592062921.db2.gz LVTDLLUWJQTYQK-WDEREUQCSA-N 1 3 325.438 1.523 20 0 EDADHO Cc1cccc(C)c1NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811586 592068802 /nfs/dbraw/zinc/06/88/02/592068802.db2.gz ZMTAJHRMYVBZIH-LSDHHAIUSA-N 1 3 346.431 1.604 20 0 EDADHO Cc1cccc(C)c1NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811586 592068804 /nfs/dbraw/zinc/06/88/04/592068804.db2.gz ZMTAJHRMYVBZIH-LSDHHAIUSA-N 1 3 346.431 1.604 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511063 592190488 /nfs/dbraw/zinc/19/04/88/592190488.db2.gz NBBLPSQPIQHGMM-AMBYYYRHSA-N 1 3 348.535 1.677 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511063 592190489 /nfs/dbraw/zinc/19/04/89/592190489.db2.gz NBBLPSQPIQHGMM-AMBYYYRHSA-N 1 3 348.535 1.677 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)C12CC[NH+](CC1)C2 ZINC000901004635 592193198 /nfs/dbraw/zinc/19/31/98/592193198.db2.gz WSIRNVAQYOLGMS-UHFFFAOYSA-N 1 3 343.471 1.925 20 0 EDADHO Cn1nc(C2CC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507325 592198978 /nfs/dbraw/zinc/19/89/78/592198978.db2.gz WFCQDXSDENXXEQ-IYBDPMFKSA-N 1 3 330.480 1.093 20 0 EDADHO Cn1nc(C2CC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507325 592198980 /nfs/dbraw/zinc/19/89/80/592198980.db2.gz WFCQDXSDENXXEQ-IYBDPMFKSA-N 1 3 330.480 1.093 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906646614 592231879 /nfs/dbraw/zinc/23/18/79/592231879.db2.gz UZVINPOMYNXOCR-AWEZNQCLSA-N 1 3 346.475 1.810 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345515 592235194 /nfs/dbraw/zinc/23/51/94/592235194.db2.gz IZFULQVKWOEUKG-IIYDPXPESA-N 1 3 333.432 1.478 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000904346908 592236034 /nfs/dbraw/zinc/23/60/34/592236034.db2.gz ZNPWIUUXMUFHAX-OTVXOJSOSA-N 1 3 336.867 1.633 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNC[C@H]1NCCc2ccccc21 ZINC000904356393 592237644 /nfs/dbraw/zinc/23/76/44/592237644.db2.gz WPFNRJFGSQGNSL-GOSISDBHSA-N 1 3 326.444 1.666 20 0 EDADHO CCOCCN1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739678 592301137 /nfs/dbraw/zinc/30/11/37/592301137.db2.gz NXQJYBATGSVRMB-QZTJIDSGSA-N 1 3 339.524 1.578 20 0 EDADHO COC(=O)[C@H](C)[C@H](NC[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760146 592306377 /nfs/dbraw/zinc/30/63/77/592306377.db2.gz VDBWFGNYGYWJBS-WMEZAQDKSA-N 1 3 332.444 1.895 20 0 EDADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@H]2C[C@]3(CC[NH2+]C3)CO2)no1 ZINC000903780508 592320566 /nfs/dbraw/zinc/32/05/66/592320566.db2.gz HUDAELCWDCNXBW-QZFBELJMSA-N 1 3 332.448 1.857 20 0 EDADHO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903819906 592333344 /nfs/dbraw/zinc/33/33/44/592333344.db2.gz PUSAGHFGCSWRGX-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903819906 592333346 /nfs/dbraw/zinc/33/33/46/592333346.db2.gz PUSAGHFGCSWRGX-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO COC(=O)CCC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893208 592366121 /nfs/dbraw/zinc/36/61/21/592366121.db2.gz SLGDTFYRQZNSFF-INIZCTEOSA-N 1 3 336.480 1.511 20 0 EDADHO COc1cc(CN2CC[C@@H](NC[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922721 592378718 /nfs/dbraw/zinc/37/87/18/592378718.db2.gz COQSOOPHOKYNTF-UONOGXRCSA-N 1 3 343.418 1.850 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923593 592379460 /nfs/dbraw/zinc/37/94/60/592379460.db2.gz YBGPRHNVAMOFDV-WMZOPIPTSA-N 1 3 327.476 1.714 20 0 EDADHO Cc1c(C[C@@H](CN)C[NH2+][C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923593 592379463 /nfs/dbraw/zinc/37/94/63/592379463.db2.gz YBGPRHNVAMOFDV-WMZOPIPTSA-N 1 3 327.476 1.714 20 0 EDADHO CCOC(=O)N1CCC(N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903972709 592397811 /nfs/dbraw/zinc/39/78/11/592397811.db2.gz KIBIAMBUKOIROE-HNNXBMFYSA-N 1 3 325.453 1.356 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCCC1 ZINC000905175518 592455508 /nfs/dbraw/zinc/45/55/08/592455508.db2.gz NBGGVBJLBCXTCT-BRWVUGGUSA-N 1 3 326.481 1.010 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202258 592462539 /nfs/dbraw/zinc/46/25/39/592462539.db2.gz GNWXDXUFNXMEET-RBUKOAKNSA-N 1 3 348.487 1.399 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202258 592462543 /nfs/dbraw/zinc/46/25/43/592462543.db2.gz GNWXDXUFNXMEET-RBUKOAKNSA-N 1 3 348.487 1.399 20 0 EDADHO C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334300 592508929 /nfs/dbraw/zinc/50/89/29/592508929.db2.gz QIUOUIOYGTZIRO-GASCZTMLSA-N 1 3 331.526 1.273 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502556 592546214 /nfs/dbraw/zinc/54/62/14/592546214.db2.gz KQMJBDIDJZEYMI-ZBRFXRBCSA-N 1 3 340.508 1.112 20 0 EDADHO CN1CCC(NC(=S)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000905660788 592600080 /nfs/dbraw/zinc/60/00/80/592600080.db2.gz MOVZCQHZTCOHQM-INIZCTEOSA-N 1 3 335.521 1.633 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905890525 592669345 /nfs/dbraw/zinc/66/93/45/592669345.db2.gz SUPUDASNOGRBGY-UXHICEINSA-N 1 3 348.487 1.665 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906450459 592824212 /nfs/dbraw/zinc/82/42/12/592824212.db2.gz DGXFTNMWZRZMJH-JZXOWHBKSA-N 1 3 336.524 1.344 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CN(C)CCN(C)C2)C1 ZINC000906450459 592824215 /nfs/dbraw/zinc/82/42/15/592824215.db2.gz DGXFTNMWZRZMJH-JZXOWHBKSA-N 1 3 336.524 1.344 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000907922456 592846646 /nfs/dbraw/zinc/84/66/46/592846646.db2.gz XNASINMDSDPZKT-DOTOQJQBSA-N 1 3 344.459 1.756 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000907922456 592846649 /nfs/dbraw/zinc/84/66/49/592846649.db2.gz XNASINMDSDPZKT-DOTOQJQBSA-N 1 3 344.459 1.756 20 0 EDADHO CN1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@@H]1c1cccnc1 ZINC000910420499 592860768 /nfs/dbraw/zinc/86/07/68/592860768.db2.gz BZYYNXCCXBDCSV-WDSOQIARSA-N 1 3 346.475 1.037 20 0 EDADHO CN1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@@H]1c1cccnc1 ZINC000910420499 592860769 /nfs/dbraw/zinc/86/07/69/592860769.db2.gz BZYYNXCCXBDCSV-WDSOQIARSA-N 1 3 346.475 1.037 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911820509 593016695 /nfs/dbraw/zinc/01/66/95/593016695.db2.gz SGWUJJLSZORCTJ-VXGBXAGGSA-N 1 3 331.382 1.853 20 0 EDADHO N[C@@H](CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])Cc1cc(F)c(F)cc1F ZINC000911830466 593018852 /nfs/dbraw/zinc/01/88/52/593018852.db2.gz ARLIISCQTQMKKF-ZVWUFJHRSA-N 1 3 329.366 1.607 20 0 EDADHO CC(C)[NH+]1CCN(CCC(=O)N2CCN(C)[C@H](C(C)(C)C)C2)CC1 ZINC000912029875 593050015 /nfs/dbraw/zinc/05/00/15/593050015.db2.gz CFSWCKDCUCSSAI-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000818990005 593732642 /nfs/dbraw/zinc/73/26/42/593732642.db2.gz WHEFGFIBDGICRL-FQEVSTJZSA-N 1 3 340.471 1.917 20 0 EDADHO NS(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820806567 593894440 /nfs/dbraw/zinc/89/44/40/593894440.db2.gz LBQIANCFSCQCKJ-ZXFUBFMLSA-N 1 3 349.500 1.624 20 0 EDADHO NS(=O)(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000820806567 593894441 /nfs/dbraw/zinc/89/44/41/593894441.db2.gz LBQIANCFSCQCKJ-ZXFUBFMLSA-N 1 3 349.500 1.624 20 0 EDADHO C[NH+](C)CCCOc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000831480262 594639468 /nfs/dbraw/zinc/63/94/68/594639468.db2.gz BOXIJLUBMUQDCT-UHFFFAOYSA-N 1 3 343.431 1.638 20 0 EDADHO CCO[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+](C)C ZINC000831756268 594699977 /nfs/dbraw/zinc/69/99/77/594699977.db2.gz FSKQRMBVCFKSPC-GOSISDBHSA-N 1 3 333.476 1.979 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841018599 594840461 /nfs/dbraw/zinc/84/04/61/594840461.db2.gz XRKIFVIFXQZZLM-QGZVFWFLSA-N 1 3 331.464 1.784 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841281924 594880910 /nfs/dbraw/zinc/88/09/10/594880910.db2.gz NCEBFFNJOHQRNK-GOSISDBHSA-N 1 3 332.448 1.974 20 0 EDADHO CN1CCN(CCNC(=O)NCc2ccc(CC[NH3+])cc2)CC1(C)C ZINC000841895441 594975895 /nfs/dbraw/zinc/97/58/95/594975895.db2.gz DMBVQJWXEAQTMB-UHFFFAOYSA-N 1 3 347.507 1.013 20 0 EDADHO C[C@@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000841896448 594976354 /nfs/dbraw/zinc/97/63/54/594976354.db2.gz MJOYCHKRIBMHKB-HKUYNNGSSA-N 1 3 330.476 1.889 20 0 EDADHO COc1cccc(CN(C)C(=O)CN(C)C2CCC([NH3+])CC2)c1OC ZINC000843354181 595084765 /nfs/dbraw/zinc/08/47/65/595084765.db2.gz WFLDIIPBYRDPQG-UHFFFAOYSA-N 1 3 349.475 1.864 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488819 595127098 /nfs/dbraw/zinc/12/70/98/595127098.db2.gz QYNUCAJLWFBRLT-IBGZPJMESA-N 1 3 347.503 1.778 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843491081 595128553 /nfs/dbraw/zinc/12/85/53/595128553.db2.gz IRGIYFRXOGTVEI-YJBOKZPZSA-N 1 3 346.475 1.492 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000844169983 595290476 /nfs/dbraw/zinc/29/04/76/595290476.db2.gz DNUVFGINLIRVAX-ROUUACIJSA-N 1 3 331.460 1.489 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000846843163 595325352 /nfs/dbraw/zinc/32/53/52/595325352.db2.gz ZVFYSTRAINYOHT-KSSFIOAISA-N 1 3 329.448 1.681 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000846843163 595325355 /nfs/dbraw/zinc/32/53/55/595325355.db2.gz ZVFYSTRAINYOHT-KSSFIOAISA-N 1 3 329.448 1.681 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000849071954 595477839 /nfs/dbraw/zinc/47/78/39/595477839.db2.gz UTXJYMZOBWDSSU-HNNXBMFYSA-N 1 3 337.537 1.678 20 0 EDADHO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000849073919 595478437 /nfs/dbraw/zinc/47/84/37/595478437.db2.gz NAPSRHDHQXUOKR-TZMCWYRMSA-N 1 3 334.420 1.503 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081843 595479343 /nfs/dbraw/zinc/47/93/43/595479343.db2.gz FDLRZESLKLENRN-HNNXBMFYSA-N 1 3 329.448 1.071 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852865909 595585877 /nfs/dbraw/zinc/58/58/77/595585877.db2.gz CADFYKHMKITKGN-CZUORRHYSA-N 1 3 330.432 1.432 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=S)NCCC[NH+](C)C ZINC000853051915 595650142 /nfs/dbraw/zinc/65/01/42/595650142.db2.gz UTEWSWQLYSBYQS-HNNXBMFYSA-N 1 3 342.553 1.388 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(O)CCc2ccccc2C1 ZINC000855347203 595682307 /nfs/dbraw/zinc/68/23/07/595682307.db2.gz XZZFFAKJFILQKY-JXFKEZNVSA-N 1 3 347.503 1.295 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(O)CCc2ccccc2C1 ZINC000855347203 595682309 /nfs/dbraw/zinc/68/23/09/595682309.db2.gz XZZFFAKJFILQKY-JXFKEZNVSA-N 1 3 347.503 1.295 20 0 EDADHO C[C@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000852185686 596075707 /nfs/dbraw/zinc/07/57/07/596075707.db2.gz ROSSPAVRKQGGDV-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000857115269 596161108 /nfs/dbraw/zinc/16/11/08/596161108.db2.gz LEUWSASQRHWOLU-LBPRGKRZSA-N 1 3 328.407 1.775 20 0 EDADHO NC(=O)c1ccc(CCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000866666387 596285312 /nfs/dbraw/zinc/28/53/12/596285312.db2.gz OYXJJCIEHWCLCL-QZTJIDSGSA-N 1 3 331.460 1.546 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090034 596470622 /nfs/dbraw/zinc/47/06/22/596470622.db2.gz VSUGOBKOSQRAML-WMZOPIPTSA-N 1 3 349.523 1.702 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090034 596470623 /nfs/dbraw/zinc/47/06/23/596470623.db2.gz VSUGOBKOSQRAML-WMZOPIPTSA-N 1 3 349.523 1.702 20 0 EDADHO C[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000865143356 596489687 /nfs/dbraw/zinc/48/96/87/596489687.db2.gz VYMMMONVEKBRTL-OCCSQVGLSA-N 1 3 342.484 1.040 20 0 EDADHO C[C@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[N@@H+](C)C1CC1 ZINC000865143356 596489691 /nfs/dbraw/zinc/48/96/91/596489691.db2.gz VYMMMONVEKBRTL-OCCSQVGLSA-N 1 3 342.484 1.040 20 0 EDADHO CN(C)c1ccccc1CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549295 596614812 /nfs/dbraw/zinc/61/48/12/596614812.db2.gz HMIBJFPDKBECPO-MSOLQXFVSA-N 1 3 344.459 1.510 20 0 EDADHO CCN1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863556480 596617564 /nfs/dbraw/zinc/61/75/64/596617564.db2.gz DSWXIVJUUZZAIJ-LJQANCHMSA-N 1 3 332.492 1.697 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000869780489 596632526 /nfs/dbraw/zinc/63/25/26/596632526.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 1 3 337.508 1.602 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000869780489 596632529 /nfs/dbraw/zinc/63/25/29/596632529.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 1 3 337.508 1.602 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000868095979 596683972 /nfs/dbraw/zinc/68/39/72/596683972.db2.gz YGMZSWZTLFJWTE-IYBDPMFKSA-N 1 3 345.491 1.996 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)n2)CC1 ZINC000868156107 596704730 /nfs/dbraw/zinc/70/47/30/596704730.db2.gz VRQHSBCISSKAFX-LSDHHAIUSA-N 1 3 332.452 1.508 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCCCCC(=O)C2)C[C@H]1C[NH+](C)C ZINC000870018624 596710840 /nfs/dbraw/zinc/71/08/40/596710840.db2.gz UKPRVUBNXCNZID-GVDBMIGSSA-N 1 3 337.508 1.724 20 0 EDADHO CCc1ccc([O-])c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021412 596711988 /nfs/dbraw/zinc/71/19/88/596711988.db2.gz FJIQIILJONSJIU-HZPDHXFCSA-N 1 3 333.476 1.766 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181208 596713792 /nfs/dbraw/zinc/71/37/92/596713792.db2.gz FOJYTEWXWVHDDD-FHLIZLRMSA-N 1 3 345.491 1.649 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000868185967 596715500 /nfs/dbraw/zinc/71/55/00/596715500.db2.gz DSNCFENYAFVQSC-WCXIOVBPSA-N 1 3 330.432 1.486 20 0 EDADHO CN(C)CCC[N@H+](C)CCNc1ccc(CO)c(Br)n1 ZINC000865937971 596730022 /nfs/dbraw/zinc/73/00/22/596730022.db2.gz ALKOZQHGDUNNPN-UHFFFAOYSA-N 1 3 345.285 1.632 20 0 EDADHO CN(C)CCC[N@@H+](C)CCNc1ccc(CO)c(Br)n1 ZINC000865937971 596730026 /nfs/dbraw/zinc/73/00/26/596730026.db2.gz ALKOZQHGDUNNPN-UHFFFAOYSA-N 1 3 345.285 1.632 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N1CCCCC1 ZINC000868228089 596735565 /nfs/dbraw/zinc/73/55/65/596735565.db2.gz BFANNASFDSXKOY-XOKHGSTOSA-N 1 3 344.459 1.430 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868243610 596743055 /nfs/dbraw/zinc/74/30/55/596743055.db2.gz LXYFCSLRWARLOB-YESZJQIVSA-N 1 3 344.459 1.381 20 0 EDADHO Cc1ccc(C(=O)C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866041573 596769962 /nfs/dbraw/zinc/76/99/62/596769962.db2.gz VROOSCIIFJSONV-IAGOWNOFSA-N 1 3 331.460 1.376 20 0 EDADHO COC(=O)c1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1C ZINC000872141782 596808130 /nfs/dbraw/zinc/80/81/30/596808130.db2.gz SVDBMRGWAUMDJV-OAHLLOKOSA-N 1 3 333.432 1.069 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1)[C@H]1CCC[NH2+]1 ZINC000872144130 596809378 /nfs/dbraw/zinc/80/93/78/596809378.db2.gz VJTHUAVBARTEMG-GVDBMIGSSA-N 1 3 335.492 1.526 20 0 EDADHO C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N(C)CCCCCC[NH3+] ZINC000872154988 596816210 /nfs/dbraw/zinc/81/62/10/596816210.db2.gz ILIVYDPPDHPOIC-JTQLQIEISA-N 1 3 326.363 1.214 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN(C)C(C)(C)CC1 ZINC000875714934 596957962 /nfs/dbraw/zinc/95/79/62/596957962.db2.gz YDFZNKHESXSLRD-INIZCTEOSA-N 1 3 341.544 1.384 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988880 597232889 /nfs/dbraw/zinc/23/28/89/597232889.db2.gz GXSUJMWVEZFOPB-DLBZAZTESA-N 1 3 348.491 1.434 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988880 597232890 /nfs/dbraw/zinc/23/28/90/597232890.db2.gz GXSUJMWVEZFOPB-DLBZAZTESA-N 1 3 348.491 1.434 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873247059 597238936 /nfs/dbraw/zinc/23/89/36/597238936.db2.gz HMVDJXXQYRCABO-ACJLOTCBSA-N 1 3 326.448 1.298 20 0 EDADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)cc1 ZINC000873265092 597242756 /nfs/dbraw/zinc/24/27/56/597242756.db2.gz GPZHSQCQPFAWEB-OJAHFUOMSA-N 1 3 347.503 1.538 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000876724237 597306363 /nfs/dbraw/zinc/30/63/63/597306363.db2.gz QVGLYACKNQOJNP-HOTGVXAUSA-N 1 3 333.480 1.720 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876746326 597318998 /nfs/dbraw/zinc/31/89/98/597318998.db2.gz QZVBZASAYGMMDH-SJLPKXTDSA-N 1 3 349.450 1.777 20 0 EDADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876770035 597332415 /nfs/dbraw/zinc/33/24/15/597332415.db2.gz GWRAXSJHEQYNNA-SFHVURJKSA-N 1 3 347.507 1.292 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781367 597339062 /nfs/dbraw/zinc/33/90/62/597339062.db2.gz GTTTYZWIASCAHA-XVWMLYKFSA-N 1 3 329.448 1.328 20 0 EDADHO CN(C)C[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000876897734 597376042 /nfs/dbraw/zinc/37/60/42/597376042.db2.gz VNKSWYWOJWLVKP-SFHVURJKSA-N 1 3 344.503 1.390 20 0 EDADHO CN(C)C[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000876897734 597376047 /nfs/dbraw/zinc/37/60/47/597376047.db2.gz VNKSWYWOJWLVKP-SFHVURJKSA-N 1 3 344.503 1.390 20 0 EDADHO O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000876932247 597389423 /nfs/dbraw/zinc/38/94/23/597389423.db2.gz HZJDTXFFVGVHKO-FJIDUMEYSA-N 1 3 331.435 1.667 20 0 EDADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000876962337 597399051 /nfs/dbraw/zinc/39/90/51/597399051.db2.gz PNOCVAHBQRBTMC-REMYHPOOSA-N 1 3 342.487 1.966 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371544 597404341 /nfs/dbraw/zinc/40/43/41/597404341.db2.gz QPLHIQCZSCEWAF-WBVHZDCISA-N 1 3 334.508 1.987 20 0 EDADHO CN1CC[C@@H](NCC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000878570314 597638831 /nfs/dbraw/zinc/63/88/31/597638831.db2.gz WQISQKJSRPAISB-IEBWSBKVSA-N 1 3 330.476 1.232 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000879594580 597649876 /nfs/dbraw/zinc/64/98/76/597649876.db2.gz MXTLBWZWHMCQBU-VQTJNVASSA-N 1 3 347.503 1.183 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000879594688 597650011 /nfs/dbraw/zinc/65/00/11/597650011.db2.gz QQGXOOIWGJMRPE-LJQANCHMSA-N 1 3 335.467 1.441 20 0 EDADHO Cn1nnnc1CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000878605019 597652342 /nfs/dbraw/zinc/65/23/42/597652342.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 1 3 326.448 1.351 20 0 EDADHO Cn1nnnc1CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000878605019 597652344 /nfs/dbraw/zinc/65/23/44/597652344.db2.gz CSYLOMVXZAKPBU-GOSISDBHSA-N 1 3 326.448 1.351 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439547 597747504 /nfs/dbraw/zinc/74/75/04/597747504.db2.gz UPXYTYPOOBBJGG-LVQVYYBASA-N 1 3 335.448 1.345 20 0 EDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883441956 597748671 /nfs/dbraw/zinc/74/86/71/597748671.db2.gz BDJMZUTYUJGIDJ-SJORKVTESA-N 1 3 346.475 1.567 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000884309051 598061211 /nfs/dbraw/zinc/06/12/11/598061211.db2.gz KQHVVSPVQCNERR-GOSISDBHSA-N 1 3 349.475 1.468 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914076090 695071564 /nfs/dbraw/zinc/07/15/64/695071564.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914076090 695071566 /nfs/dbraw/zinc/07/15/66/695071566.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 1 3 338.496 1.413 20 0 EDADHO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)CN4CCCC4)C[C@@H]32)n1 ZINC000992908040 695444755 /nfs/dbraw/zinc/44/47/55/695444755.db2.gz PKNAPHYHPYZORN-BPQIPLTHSA-N 1 3 345.491 1.233 20 0 EDADHO CCC[C@@H](O)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500449 695936440 /nfs/dbraw/zinc/93/64/40/695936440.db2.gz LEARHHRYCPOSRF-QGZVFWFLSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCCN1CCCO ZINC000993619187 696262266 /nfs/dbraw/zinc/26/22/66/696262266.db2.gz FSOPYIJTXXLTBI-APWZRJJASA-N 1 3 347.503 1.756 20 0 EDADHO COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000940008301 700109868 /nfs/dbraw/zinc/10/98/68/700109868.db2.gz IARBUFNBHLIMIN-OAHLLOKOSA-N 1 3 347.463 1.050 20 0 EDADHO COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000940008627 700110310 /nfs/dbraw/zinc/11/03/10/700110310.db2.gz WELNMPQPZAIASE-KRWDZBQOSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994403285 696826119 /nfs/dbraw/zinc/82/61/19/696826119.db2.gz BQTCTROYHJDVHM-WMZOPIPTSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@@H]1C ZINC000994403285 696826123 /nfs/dbraw/zinc/82/61/23/696826123.db2.gz BQTCTROYHJDVHM-WMZOPIPTSA-N 1 3 330.476 1.955 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000920505529 697440535 /nfs/dbraw/zinc/44/05/35/697440535.db2.gz AUWOXDPJKSXOBR-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031686398 697516772 /nfs/dbraw/zinc/51/67/72/697516772.db2.gz MMUSVEUVQZICPN-YESZJQIVSA-N 1 3 337.508 1.580 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001031686398 697516774 /nfs/dbraw/zinc/51/67/74/697516774.db2.gz MMUSVEUVQZICPN-YESZJQIVSA-N 1 3 337.508 1.580 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730674 698086795 /nfs/dbraw/zinc/08/67/95/698086795.db2.gz VATXOZAXYOXVSU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730674 698086798 /nfs/dbraw/zinc/08/67/98/698086798.db2.gz VATXOZAXYOXVSU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)(C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+]1CCCC1 ZINC000941512648 701565950 /nfs/dbraw/zinc/56/59/50/701565950.db2.gz RPXUOTWOCMBDOV-UHFFFAOYSA-N 1 3 334.508 1.099 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3cnn(C)c3)C2)CC1 ZINC000939452578 699584265 /nfs/dbraw/zinc/58/42/65/699584265.db2.gz AALSFPZIOSEUIC-QAPCUYQASA-N 1 3 347.507 1.477 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCc3cncn3C)[C@@H](C)C2)CC1 ZINC000939454373 699600868 /nfs/dbraw/zinc/60/08/68/699600868.db2.gz RJAXGFIXRDFHRA-YJBOKZPZSA-N 1 3 347.507 1.477 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1)C1CC1 ZINC000940148903 700281375 /nfs/dbraw/zinc/28/13/75/700281375.db2.gz FSWMUIMJOKCMPF-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000940148916 700281399 /nfs/dbraw/zinc/28/13/99/700281399.db2.gz GCOFKLYNQBKOIM-MRXNPFEDSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000940149260 700282364 /nfs/dbraw/zinc/28/23/64/700282364.db2.gz IGYSLKOLKNCHJX-UHFFFAOYSA-N 1 3 347.507 1.684 20 0 EDADHO Cc1csc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995167288 701634644 /nfs/dbraw/zinc/63/46/44/701634644.db2.gz IUOFDAFVBUPKQB-CABCVRRESA-N 1 3 348.516 1.922 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC000940329742 700509666 /nfs/dbraw/zinc/50/96/66/700509666.db2.gz YGVAFIXJBDPMHW-OAHLLOKOSA-N 1 3 345.491 1.598 20 0 EDADHO CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940356821 700518506 /nfs/dbraw/zinc/51/85/06/700518506.db2.gz ZQWPVJAETSEWHY-UHFFFAOYSA-N 1 3 331.395 1.657 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081420 700711356 /nfs/dbraw/zinc/71/13/56/700711356.db2.gz UZRWMIKRAWYBAS-ZBFHGGJFSA-N 1 3 333.480 1.136 20 0 EDADHO Cn1ccnc1CNC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082459 700725074 /nfs/dbraw/zinc/72/50/74/700725074.db2.gz YTBDOAXVIPKWNG-GOEBONIOSA-N 1 3 333.480 1.136 20 0 EDADHO C[C@@H](c1cnccn1)N1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220480 701410656 /nfs/dbraw/zinc/41/06/56/701410656.db2.gz DYUQSMWFYXNATO-RDJZCZTQSA-N 1 3 345.491 1.850 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cccnc3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823405 702093127 /nfs/dbraw/zinc/09/31/27/702093127.db2.gz GCLJJVGWPPHXGJ-DJIMGWMZSA-N 1 3 330.476 1.748 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cccnc3)C(C)(C)C2)CC[N@H+]1C ZINC000995823405 702093133 /nfs/dbraw/zinc/09/31/33/702093133.db2.gz GCLJJVGWPPHXGJ-DJIMGWMZSA-N 1 3 330.476 1.748 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205857 702108016 /nfs/dbraw/zinc/10/80/16/702108016.db2.gz KOCQSOMRJFDNGT-ZWKOTPCHSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995836131 702114092 /nfs/dbraw/zinc/11/40/92/702114092.db2.gz ZRRIVQWSKUPUNA-BPLDGKMQSA-N 1 3 336.505 1.810 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3cncs3)C(C)(C)C2)CC[N@H+]1C ZINC000995836131 702114095 /nfs/dbraw/zinc/11/40/95/702114095.db2.gz ZRRIVQWSKUPUNA-BPLDGKMQSA-N 1 3 336.505 1.810 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032206688 702155968 /nfs/dbraw/zinc/15/59/68/702155968.db2.gz HROJSVGEXCZKRI-MRXNPFEDSA-N 1 3 345.487 1.836 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1C[C@@H](NCc2cncs2)C(C)(C)C1)C1CC1 ZINC000995898367 702203445 /nfs/dbraw/zinc/20/34/45/702203445.db2.gz TWJBXZCTEMLXGO-HUUCEWRRSA-N 1 3 336.505 1.810 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1C[C@@H](NCc2ccns2)C(C)(C)C1)C1CC1 ZINC000995900568 702206269 /nfs/dbraw/zinc/20/62/69/702206269.db2.gz YNAMYHHJGJHCFH-CABCVRRESA-N 1 3 336.505 1.810 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888860 702228194 /nfs/dbraw/zinc/22/81/94/702228194.db2.gz SDYZZNPYIWLXCI-CVEARBPZSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995916747 702278235 /nfs/dbraw/zinc/27/82/35/702278235.db2.gz JWCMJWDGSWLWHJ-KRWDZBQOSA-N 1 3 347.507 1.539 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996300204 702691725 /nfs/dbraw/zinc/69/17/25/702691725.db2.gz KGZGRXMOWTXMJA-RHSMWYFYSA-N 1 3 347.507 1.539 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463544 702791148 /nfs/dbraw/zinc/79/11/48/702791148.db2.gz HTWVYWWDCRJWRM-GOSISDBHSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463544 702791151 /nfs/dbraw/zinc/79/11/51/702791151.db2.gz HTWVYWWDCRJWRM-GOSISDBHSA-N 1 3 345.491 1.738 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996516949 702852436 /nfs/dbraw/zinc/85/24/36/702852436.db2.gz COMVBYJYPKQXBK-WMLDXEAASA-N 1 3 348.466 1.889 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996516949 702852438 /nfs/dbraw/zinc/85/24/38/702852438.db2.gz COMVBYJYPKQXBK-WMLDXEAASA-N 1 3 348.466 1.889 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610818 702915730 /nfs/dbraw/zinc/91/57/30/702915730.db2.gz KVLFOXMFVFBIJL-HIFRSBDPSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610818 702915732 /nfs/dbraw/zinc/91/57/32/702915732.db2.gz KVLFOXMFVFBIJL-HIFRSBDPSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996663453 702961455 /nfs/dbraw/zinc/96/14/55/702961455.db2.gz GFFGTQUBMZFRDV-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)CCO1 ZINC000996667022 702963900 /nfs/dbraw/zinc/96/39/00/702963900.db2.gz VTEYSVOBPSGVJU-JKSUJKDBSA-N 1 3 337.508 1.866 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671123 702972193 /nfs/dbraw/zinc/97/21/93/702972193.db2.gz MFGYNYPSWIODAM-QGZVFWFLSA-N 1 3 347.507 1.623 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)C1CC1 ZINC000996680095 702978838 /nfs/dbraw/zinc/97/88/38/702978838.db2.gz SOIAZXVHDZOOMR-GOSISDBHSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000996922195 703193162 /nfs/dbraw/zinc/19/31/62/703193162.db2.gz NUXQCGWNPRPJLD-GUTXKFCHSA-N 1 3 348.495 1.485 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000996922195 703193164 /nfs/dbraw/zinc/19/31/64/703193164.db2.gz NUXQCGWNPRPJLD-GUTXKFCHSA-N 1 3 348.495 1.485 20 0 EDADHO COc1ccc(CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997036553 703288434 /nfs/dbraw/zinc/28/84/34/703288434.db2.gz NAVVUPSICSUABK-UHFFFAOYSA-N 1 3 342.443 1.784 20 0 EDADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085683 703331397 /nfs/dbraw/zinc/33/13/97/703331397.db2.gz SREJBWRNIBSLFH-GDBMZVCRSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000997085683 703331398 /nfs/dbraw/zinc/33/13/98/703331398.db2.gz SREJBWRNIBSLFH-GDBMZVCRSA-N 1 3 349.504 1.636 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997185021 703473713 /nfs/dbraw/zinc/47/37/13/703473713.db2.gz OSNKPJDITRMWEC-AWEZNQCLSA-N 1 3 346.475 1.974 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997185021 703473714 /nfs/dbraw/zinc/47/37/14/703473714.db2.gz OSNKPJDITRMWEC-AWEZNQCLSA-N 1 3 346.475 1.974 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997188109 703477934 /nfs/dbraw/zinc/47/79/34/703477934.db2.gz YNXYCYLWIKPEET-OAHLLOKOSA-N 1 3 334.464 1.714 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997188109 703477936 /nfs/dbraw/zinc/47/79/36/703477936.db2.gz YNXYCYLWIKPEET-OAHLLOKOSA-N 1 3 334.464 1.714 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(NCc2nccn2C)CC1)[NH+]1CCCC1 ZINC000997368188 703604938 /nfs/dbraw/zinc/60/49/38/703604938.db2.gz BARFIQCWOPMXHH-SFHVURJKSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588579 703876913 /nfs/dbraw/zinc/87/69/13/703876913.db2.gz XZSUGRGIZSKVNM-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997606927 703905621 /nfs/dbraw/zinc/90/56/21/703905621.db2.gz NGWIESKMHSDTCS-QGZVFWFLSA-N 1 3 334.464 1.714 20 0 EDADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294223 /nfs/dbraw/zinc/29/42/23/704294223.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 1 3 349.519 1.676 20 0 EDADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294225 /nfs/dbraw/zinc/29/42/25/704294225.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 1 3 349.519 1.676 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997777031 704678003 /nfs/dbraw/zinc/67/80/03/704678003.db2.gz RDXGJAVICGIESW-SFHVURJKSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997777031 704678004 /nfs/dbraw/zinc/67/80/04/704678004.db2.gz RDXGJAVICGIESW-SFHVURJKSA-N 1 3 347.507 1.621 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CC1 ZINC000997830398 704749092 /nfs/dbraw/zinc/74/90/92/704749092.db2.gz JUAPQQJUBWWLJB-GOSISDBHSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)on1 ZINC000997842346 704757459 /nfs/dbraw/zinc/75/74/59/704757459.db2.gz BEFZOVGDIRAQOJ-KRWDZBQOSA-N 1 3 336.480 1.897 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)N(C)C ZINC000997844357 704759718 /nfs/dbraw/zinc/75/97/18/704759718.db2.gz NGEFTINPQOLKAB-SFHVURJKSA-N 1 3 332.492 1.996 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997864434 704770918 /nfs/dbraw/zinc/77/09/18/704770918.db2.gz HXOOOWOCCCMOKK-QGZVFWFLSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000998081687 705303908 /nfs/dbraw/zinc/30/39/08/705303908.db2.gz LZVDZOSWIMXNJQ-AWEZNQCLSA-N 1 3 334.464 1.653 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998080553 705306149 /nfs/dbraw/zinc/30/61/49/705306149.db2.gz DGGHEUSLJDZPML-MRXNPFEDSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000998080553 705306152 /nfs/dbraw/zinc/30/61/52/705306152.db2.gz DGGHEUSLJDZPML-MRXNPFEDSA-N 1 3 347.507 1.716 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000998082510 705310033 /nfs/dbraw/zinc/31/00/33/705310033.db2.gz QDSUWWWRTJODMB-CXAGYDPISA-N 1 3 334.464 1.509 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000998082510 705310037 /nfs/dbraw/zinc/31/00/37/705310037.db2.gz QDSUWWWRTJODMB-CXAGYDPISA-N 1 3 334.464 1.509 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)ccn2)CC1)N(C)C ZINC000998085868 705318108 /nfs/dbraw/zinc/31/81/08/705318108.db2.gz ITRVRWWMWODUOH-SFHVURJKSA-N 1 3 348.491 1.759 20 0 EDADHO Cc1nc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000998225131 705549743 /nfs/dbraw/zinc/54/97/43/705549743.db2.gz MGRNHALWFPQIPY-UHFFFAOYSA-N 1 3 348.516 1.876 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689213 707244573 /nfs/dbraw/zinc/24/45/73/707244573.db2.gz PNQOFEBRBJVIKR-FHERZECASA-N 1 3 334.464 1.712 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999689213 707244578 /nfs/dbraw/zinc/24/45/78/707244578.db2.gz PNQOFEBRBJVIKR-FHERZECASA-N 1 3 334.464 1.712 20 0 EDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800356 707450958 /nfs/dbraw/zinc/45/09/58/707450958.db2.gz AMPOMBWQSBIWHJ-XLMAVXFVSA-N 1 3 346.475 1.690 20 0 EDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800356 707450962 /nfs/dbraw/zinc/45/09/62/707450962.db2.gz AMPOMBWQSBIWHJ-XLMAVXFVSA-N 1 3 346.475 1.690 20 0 EDADHO CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1)C1CCC1 ZINC001005184568 708111256 /nfs/dbraw/zinc/11/12/56/708111256.db2.gz ODHMVITXZZRLDK-ROUUACIJSA-N 1 3 337.508 1.819 20 0 EDADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033582095 708264789 /nfs/dbraw/zinc/26/47/89/708264789.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 1 3 347.507 1.320 20 0 EDADHO CCn1cc(CCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001033582095 708264791 /nfs/dbraw/zinc/26/47/91/708264791.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 1 3 347.507 1.320 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831870 708357776 /nfs/dbraw/zinc/35/77/76/708357776.db2.gz AZHPKPYOOZMYFP-FUHWJXTLSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1cccnc1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831870 708357780 /nfs/dbraw/zinc/35/77/80/708357780.db2.gz AZHPKPYOOZMYFP-FUHWJXTLSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661472 708474385 /nfs/dbraw/zinc/47/43/85/708474385.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 1 3 331.460 1.163 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033661472 708474387 /nfs/dbraw/zinc/47/43/87/708474387.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 1 3 331.460 1.163 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOC)C2 ZINC001040544826 709084972 /nfs/dbraw/zinc/08/49/72/709084972.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 1 3 337.508 1.822 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOC)C2 ZINC001040544826 709084973 /nfs/dbraw/zinc/08/49/73/709084973.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 1 3 337.508 1.822 20 0 EDADHO CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033983801 709193246 /nfs/dbraw/zinc/19/32/46/709193246.db2.gz YHZGOMALUGNMFL-GOSISDBHSA-N 1 3 347.507 1.947 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCCN(CCOC)C2)C1 ZINC001034369763 709855954 /nfs/dbraw/zinc/85/59/54/709855954.db2.gz UZKXCUHCRVUFEI-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCCN(CCOC)C2)C1 ZINC001034369763 709855959 /nfs/dbraw/zinc/85/59/59/709855959.db2.gz UZKXCUHCRVUFEI-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO COCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541386 710215166 /nfs/dbraw/zinc/21/51/66/710215166.db2.gz PPCCVUYOPBBCCL-KRWDZBQOSA-N 1 3 333.476 1.979 20 0 EDADHO COCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541386 710215168 /nfs/dbraw/zinc/21/51/68/710215168.db2.gz PPCCVUYOPBBCCL-KRWDZBQOSA-N 1 3 333.476 1.979 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003633719 710461575 /nfs/dbraw/zinc/46/15/75/710461575.db2.gz HOWFFKKMJCQKSG-CJNGLKHVSA-N 1 3 349.479 1.089 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001003633719 710461577 /nfs/dbraw/zinc/46/15/77/710461577.db2.gz HOWFFKKMJCQKSG-CJNGLKHVSA-N 1 3 349.479 1.089 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001034734733 710917181 /nfs/dbraw/zinc/91/71/81/710917181.db2.gz WRYPEKBOTBVUOH-ZTFGCOKTSA-N 1 3 347.507 1.587 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735452 710920603 /nfs/dbraw/zinc/92/06/03/710920603.db2.gz HMEMGLXWDNRHKP-MHORFTMASA-N 1 3 337.508 1.914 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034796283 711120772 /nfs/dbraw/zinc/12/07/72/711120772.db2.gz HHCPYKVZMDGEFS-JFIYKMOQSA-N 1 3 347.507 1.812 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001034881232 711281288 /nfs/dbraw/zinc/28/12/88/711281288.db2.gz DMIWLSFMFYCBPK-CABCVRRESA-N 1 3 336.867 1.910 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034935619 711362881 /nfs/dbraw/zinc/36/28/81/711362881.db2.gz AJQJUHYBFXDQDD-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034935619 711362884 /nfs/dbraw/zinc/36/28/84/711362884.db2.gz AJQJUHYBFXDQDD-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1CNCc1cccnc1 ZINC001034940641 711444327 /nfs/dbraw/zinc/44/43/27/711444327.db2.gz GMHGVUGXRVHHJP-MSOLQXFVSA-N 1 3 328.460 1.504 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540029 711964664 /nfs/dbraw/zinc/96/46/64/711964664.db2.gz PDRRPRHVJZGXKK-ZWKOTPCHSA-N 1 3 339.524 1.922 20 0 EDADHO COCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004540029 711964666 /nfs/dbraw/zinc/96/46/66/711964666.db2.gz PDRRPRHVJZGXKK-ZWKOTPCHSA-N 1 3 339.524 1.922 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)NCCNc1ccncc1)C1CCCCC1 ZINC000356229530 282242399 /nfs/dbraw/zinc/24/23/99/282242399.db2.gz AFADQLLFTFAROL-QGZVFWFLSA-N 1 3 333.480 1.725 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)Cc2ccccc2C1 ZINC000266202106 282261692 /nfs/dbraw/zinc/26/16/92/282261692.db2.gz OQWISELKKGNKTG-KRWDZBQOSA-N 1 3 330.476 1.431 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013303 232059142 /nfs/dbraw/zinc/05/91/42/232059142.db2.gz BNZIWUCAYPEUBS-IAGOWNOFSA-N 1 3 346.475 1.676 20 0 EDADHO CNC(=O)CC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093587788 539522731 /nfs/dbraw/zinc/52/27/31/539522731.db2.gz ZNVYNVDSJSLCJX-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000562809237 306310009 /nfs/dbraw/zinc/31/00/09/306310009.db2.gz HBASCXMYHOAIHM-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO O=C([C@H]1CSCN1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000563170601 306321509 /nfs/dbraw/zinc/32/15/09/306321509.db2.gz VKQVXMDTEMBKFZ-MRXNPFEDSA-N 1 3 349.504 1.245 20 0 EDADHO COc1cc(F)c(CNCCN2CCC([NH+](C)C)CC2)cc1OC ZINC000563256936 306324887 /nfs/dbraw/zinc/32/48/87/306324887.db2.gz FLUNJYJWWDBXIU-UHFFFAOYSA-N 1 3 339.455 1.959 20 0 EDADHO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357066160 283148507 /nfs/dbraw/zinc/14/85/07/283148507.db2.gz BTCPQVMPPCJENV-CYBMUJFWSA-N 1 3 339.402 1.475 20 0 EDADHO COC[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761681 138135451 /nfs/dbraw/zinc/13/54/51/138135451.db2.gz ONWFWXFYADMECV-CQSZACIVSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578537 306339529 /nfs/dbraw/zinc/33/95/29/306339529.db2.gz ACHDUQBIGSOTIZ-BPQIPLTHSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1nn(C)cc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426266 138288739 /nfs/dbraw/zinc/28/87/39/138288739.db2.gz DRXVGWZCGZYULZ-UHFFFAOYSA-N 1 3 349.523 1.645 20 0 EDADHO N[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000563597698 306341113 /nfs/dbraw/zinc/34/11/13/306341113.db2.gz LCJUDZGSMYQXIJ-KSZLIROESA-N 1 3 346.475 1.614 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364060886 283220116 /nfs/dbraw/zinc/22/01/16/283220116.db2.gz RTHMWVLMORDREW-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000563945437 306353011 /nfs/dbraw/zinc/35/30/11/306353011.db2.gz KXFBEWRWDIEKJH-OKYOBFRVSA-N 1 3 344.503 1.847 20 0 EDADHO NC1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000178824071 283398925 /nfs/dbraw/zinc/39/89/25/283398925.db2.gz FSGOMQNSRGGAEM-INIZCTEOSA-N 1 3 327.472 1.817 20 0 EDADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376408 /nfs/dbraw/zinc/37/64/08/306376408.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 1 3 343.475 1.964 20 0 EDADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158081 306376409 /nfs/dbraw/zinc/37/64/09/306376409.db2.gz QNWMXCRUVUGKFZ-DLBZAZTESA-N 1 3 343.475 1.964 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417580801 296026360 /nfs/dbraw/zinc/02/63/60/296026360.db2.gz GDLXJJGBYVILHN-CABCVRRESA-N 1 3 340.512 1.835 20 0 EDADHO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414478660 304117862 /nfs/dbraw/zinc/11/78/62/304117862.db2.gz FOZXFCCXVPGLKX-QGZVFWFLSA-N 1 3 347.503 1.709 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000414700983 304129929 /nfs/dbraw/zinc/12/99/29/304129929.db2.gz JVSGPQMFLVKRLH-KBPBESRZSA-N 1 3 332.448 1.635 20 0 EDADHO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706152 304130549 /nfs/dbraw/zinc/13/05/49/304130549.db2.gz KYONIAOVVPCKKY-VKJFTORMSA-N 1 3 331.460 1.508 20 0 EDADHO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706152 304130552 /nfs/dbraw/zinc/13/05/52/304130552.db2.gz KYONIAOVVPCKKY-VKJFTORMSA-N 1 3 331.460 1.508 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746109 304136350 /nfs/dbraw/zinc/13/63/50/304136350.db2.gz QEEHNVVLSJFWQB-KBPBESRZSA-N 1 3 337.414 1.951 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746109 304136351 /nfs/dbraw/zinc/13/63/51/304136351.db2.gz QEEHNVVLSJFWQB-KBPBESRZSA-N 1 3 337.414 1.951 20 0 EDADHO CC(C)n1ccc(C[C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989756 304148938 /nfs/dbraw/zinc/14/89/38/304148938.db2.gz QYLHSNNKLRHGLE-UKRRQHHQSA-N 1 3 347.429 1.821 20 0 EDADHO CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000567146472 306439567 /nfs/dbraw/zinc/43/95/67/306439567.db2.gz WVCGIKLQWIECJE-MSOLQXFVSA-N 1 3 345.491 1.026 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000236889070 139034304 /nfs/dbraw/zinc/03/43/04/139034304.db2.gz FVZGAGHSFFAIOJ-LPHOPBHVSA-N 1 3 346.519 1.814 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237153236 139042457 /nfs/dbraw/zinc/04/24/57/139042457.db2.gz YMLOYCZOQPOABL-KRWDZBQOSA-N 1 3 342.447 1.235 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000237314525 139047527 /nfs/dbraw/zinc/04/75/27/139047527.db2.gz MSBMPPDGUOXZMO-SFHVURJKSA-N 1 3 346.519 1.869 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000237287308 139046494 /nfs/dbraw/zinc/04/64/94/139046494.db2.gz WIHYSHXFCSKTPJ-SFHVURJKSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C[C@H](C)O1 ZINC000237665875 139057370 /nfs/dbraw/zinc/05/73/70/139057370.db2.gz OEGYQHZONLNTMV-JZXOWHBKSA-N 1 3 333.476 1.562 20 0 EDADHO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C[C@H](C)O1 ZINC000237665875 139057371 /nfs/dbraw/zinc/05/73/71/139057371.db2.gz OEGYQHZONLNTMV-JZXOWHBKSA-N 1 3 333.476 1.562 20 0 EDADHO CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000111660842 220177217 /nfs/dbraw/zinc/17/72/17/220177217.db2.gz CGIOHSUCUPAGQH-IBGZPJMESA-N 1 3 344.503 1.405 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000237904996 139063474 /nfs/dbraw/zinc/06/34/74/139063474.db2.gz MSRBLCRTMKBDHV-GOSISDBHSA-N 1 3 328.460 1.909 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415228688 304176726 /nfs/dbraw/zinc/17/67/26/304176726.db2.gz YSYBJYHBFYAJRM-VIFPVBQESA-N 1 3 346.353 1.169 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000238062850 139067928 /nfs/dbraw/zinc/06/79/28/139067928.db2.gz CQSGMCNVPJTELF-DLBZAZTESA-N 1 3 333.501 1.862 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864804 220214620 /nfs/dbraw/zinc/21/46/20/220214620.db2.gz XHOCWNZRGAZPNU-QGZVFWFLSA-N 1 3 340.512 1.709 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NCc1ccccc1CN1CCC(O)CC1 ZINC000238152792 139069741 /nfs/dbraw/zinc/06/97/41/139069741.db2.gz DWMXCCKRCGVZOO-UHFFFAOYSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245876739 139088294 /nfs/dbraw/zinc/08/82/94/139088294.db2.gz HOMXSTQJRRNEAI-HZPDHXFCSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000245876739 139088295 /nfs/dbraw/zinc/08/82/95/139088295.db2.gz HOMXSTQJRRNEAI-HZPDHXFCSA-N 1 3 348.491 1.872 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000415286805 304185903 /nfs/dbraw/zinc/18/59/03/304185903.db2.gz USBFSVAACMBCTA-OAHLLOKOSA-N 1 3 346.475 1.453 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000247048929 139133204 /nfs/dbraw/zinc/13/32/04/139133204.db2.gz NKCFPOXEAJJJCL-BRWVUGGUSA-N 1 3 339.528 1.042 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000415353843 304201647 /nfs/dbraw/zinc/20/16/47/304201647.db2.gz LZQXKYOURDSDLS-UHFFFAOYSA-N 1 3 346.475 1.853 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000568520847 306483583 /nfs/dbraw/zinc/48/35/83/306483583.db2.gz QCBXDSSFDPFFJE-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO [NH3+]C1(CNC(=O)N2CCN3CCC2CC3)C2CC3CC(C2)CC1C3 ZINC000568731986 306487699 /nfs/dbraw/zinc/48/76/99/306487699.db2.gz XWZWWINJAWYTLM-UHFFFAOYSA-N 1 3 332.492 1.630 20 0 EDADHO C[C@H](NC(=O)C[C@@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550237 139208833 /nfs/dbraw/zinc/20/88/33/139208833.db2.gz LBNYZZZZCDBBKS-CGTJXYLNSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H](NC(=O)C[C@@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550237 139208834 /nfs/dbraw/zinc/20/88/34/139208834.db2.gz LBNYZZZZCDBBKS-CGTJXYLNSA-N 1 3 331.460 1.392 20 0 EDADHO Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674551 139216353 /nfs/dbraw/zinc/21/63/53/139216353.db2.gz MCOMGOCVZMJFAN-LSDHHAIUSA-N 1 3 332.448 1.176 20 0 EDADHO Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674551 139216354 /nfs/dbraw/zinc/21/63/54/139216354.db2.gz MCOMGOCVZMJFAN-LSDHHAIUSA-N 1 3 332.448 1.176 20 0 EDADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000261701923 139218946 /nfs/dbraw/zinc/21/89/46/139218946.db2.gz CRFQIHYZVFIYDN-SJORKVTESA-N 1 3 345.491 1.180 20 0 EDADHO CCN1CCN(CCC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261701627 139218974 /nfs/dbraw/zinc/21/89/74/139218974.db2.gz JRZWHPJXZGPKNQ-MOPGFXCFSA-N 1 3 344.503 1.215 20 0 EDADHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCOCC1 ZINC000261705252 139219261 /nfs/dbraw/zinc/21/92/61/139219261.db2.gz IJHATZNNFVYTPA-SFHVURJKSA-N 1 3 331.460 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000261923195 139237377 /nfs/dbraw/zinc/23/73/77/139237377.db2.gz ZSGHXHWFHZQNGX-HZPDHXFCSA-N 1 3 330.476 1.638 20 0 EDADHO C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000262109374 139251588 /nfs/dbraw/zinc/25/15/88/139251588.db2.gz FHEUTJKVSHMXLX-HZPDHXFCSA-N 1 3 333.480 1.198 20 0 EDADHO C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N1CCC[C@H](C)C1 ZINC000417023789 251136729 /nfs/dbraw/zinc/13/67/29/251136729.db2.gz WQDHKRSGFNBUKE-JKSUJKDBSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417175045 251144002 /nfs/dbraw/zinc/14/40/02/251144002.db2.gz ANJPXBRFBSPOPZ-CRAIPNDOSA-N 1 3 332.492 1.928 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000417319020 251158183 /nfs/dbraw/zinc/15/81/83/251158183.db2.gz MVWQMEZDWAAZRF-SFHVURJKSA-N 1 3 348.491 1.576 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000417518866 251182312 /nfs/dbraw/zinc/18/23/12/251182312.db2.gz TXXUXIWQKCQZBD-JQHSSLGASA-N 1 3 348.491 1.685 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417543365 251185573 /nfs/dbraw/zinc/18/55/73/251185573.db2.gz GAEBLFJHHYITPO-OAHLLOKOSA-N 1 3 340.512 1.565 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417439716 251174072 /nfs/dbraw/zinc/17/40/72/251174072.db2.gz MRQXCMWLYAPJKF-KRWDZBQOSA-N 1 3 326.485 1.176 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417646866 251212318 /nfs/dbraw/zinc/21/23/18/251212318.db2.gz DSVPLCGUFBIFDE-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617556 251207000 /nfs/dbraw/zinc/20/70/00/251207000.db2.gz CBLOWGLAIGNIHR-RDJZCZTQSA-N 1 3 348.491 1.794 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262453667 139279998 /nfs/dbraw/zinc/27/99/98/139279998.db2.gz UYLOQALSVBLKAL-DDBAPUKQSA-N 1 3 331.460 1.221 20 0 EDADHO C[C@@H](CCCC[NH3+])NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417731452 251247314 /nfs/dbraw/zinc/24/73/14/251247314.db2.gz FPVUHBDAZUMQJT-HNNXBMFYSA-N 1 3 332.492 1.902 20 0 EDADHO CN(C)C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000417738774 251250835 /nfs/dbraw/zinc/25/08/35/251250835.db2.gz PNXYAULUZNWLSF-SFHVURJKSA-N 1 3 342.487 1.622 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000417809071 251279098 /nfs/dbraw/zinc/27/90/98/251279098.db2.gz ATCBUTMYIALCEF-NVXWUHKLSA-N 1 3 340.537 1.455 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000418105076 251322757 /nfs/dbraw/zinc/32/27/57/251322757.db2.gz YZPMYLWTOQMWQZ-RBSFLKMASA-N 1 3 326.485 1.255 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417847679 251296317 /nfs/dbraw/zinc/29/63/17/251296317.db2.gz KGFKBUSRNCCIFJ-OAHLLOKOSA-N 1 3 348.491 1.298 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000418349007 251362415 /nfs/dbraw/zinc/36/24/15/251362415.db2.gz JUSUONIABXMMHT-HKUYNNGSSA-N 1 3 348.491 1.878 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418721182 251397417 /nfs/dbraw/zinc/39/74/17/251397417.db2.gz LXQYUUTZUGXOAX-HUUCEWRRSA-N 1 3 347.463 1.439 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418687282 251386682 /nfs/dbraw/zinc/38/66/82/251386682.db2.gz RBAGWLSWFKHUDF-ULQDDVLXSA-N 1 3 340.512 1.144 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000262676981 139295644 /nfs/dbraw/zinc/29/56/44/139295644.db2.gz STFCVYUDRQLQQJ-CVEARBPZSA-N 1 3 344.459 1.578 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262788453 139303660 /nfs/dbraw/zinc/30/36/60/139303660.db2.gz NXPPZZSYKLRQBS-PMPSAXMXSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000153102015 224057995 /nfs/dbraw/zinc/05/79/95/224057995.db2.gz OBLFLFPTWTUGOD-HNNXBMFYSA-N 1 3 349.475 1.560 20 0 EDADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900905 252016474 /nfs/dbraw/zinc/01/64/74/252016474.db2.gz KHNGXKFBCATKGJ-DOTOQJQBSA-N 1 3 339.505 1.933 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422857136 252002451 /nfs/dbraw/zinc/00/24/51/252002451.db2.gz GZSHDYYKLYXNJE-QGZVKYPTSA-N 1 3 346.519 1.539 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422857136 252002454 /nfs/dbraw/zinc/00/24/54/252002454.db2.gz GZSHDYYKLYXNJE-QGZVKYPTSA-N 1 3 346.519 1.539 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422911336 252019799 /nfs/dbraw/zinc/01/97/99/252019799.db2.gz KLKXOBXIKURFQU-MJGOQNOKSA-N 1 3 344.503 1.832 20 0 EDADHO NC[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424027773 252119270 /nfs/dbraw/zinc/11/92/70/252119270.db2.gz MXGVWUNBGFZDBH-XYJFISCASA-N 1 3 345.393 1.960 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938966 285058389 /nfs/dbraw/zinc/05/83/89/285058389.db2.gz VSZPYYNYRURAHU-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059032 /nfs/dbraw/zinc/05/90/32/285059032.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059038 /nfs/dbraw/zinc/05/90/38/285059038.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 1 3 326.485 1.127 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248438651 285202149 /nfs/dbraw/zinc/20/21/49/285202149.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 1 3 345.487 1.744 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248438651 285202150 /nfs/dbraw/zinc/20/21/50/285202150.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 1 3 345.487 1.744 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496306951 255378446 /nfs/dbraw/zinc/37/84/46/255378446.db2.gz KNSNIBNQADYUQG-MGPQQGTHSA-N 1 3 341.500 1.886 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)nn(C)c1C ZINC000337568375 285276564 /nfs/dbraw/zinc/27/65/64/285276564.db2.gz BGMKXMFEAKQTET-KRWDZBQOSA-N 1 3 349.523 1.454 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)nn(C)c1C ZINC000337568375 285276567 /nfs/dbraw/zinc/27/65/67/285276567.db2.gz BGMKXMFEAKQTET-KRWDZBQOSA-N 1 3 349.523 1.454 20 0 EDADHO CN1CCC(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000264255739 139390534 /nfs/dbraw/zinc/39/05/34/139390534.db2.gz KSZJWUNGNYEHHD-UHFFFAOYSA-N 1 3 348.491 1.563 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000415879524 304283609 /nfs/dbraw/zinc/28/36/09/304283609.db2.gz POUINFJVDVIPTH-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)CCN)cc2)C1 ZINC000415879524 304283611 /nfs/dbraw/zinc/28/36/11/304283611.db2.gz POUINFJVDVIPTH-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000415928520 304286064 /nfs/dbraw/zinc/28/60/64/304286064.db2.gz FQTRMZDFYIOAJO-KRWDZBQOSA-N 1 3 334.464 1.764 20 0 EDADHO COc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000416334698 304310708 /nfs/dbraw/zinc/31/07/08/304310708.db2.gz RGFOWDUGMROJAT-ZFWWWQNUSA-N 1 3 335.448 1.772 20 0 EDADHO COc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN(C)C ZINC000416334698 304310709 /nfs/dbraw/zinc/31/07/09/304310709.db2.gz RGFOWDUGMROJAT-ZFWWWQNUSA-N 1 3 335.448 1.772 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000333542512 141334005 /nfs/dbraw/zinc/33/40/05/141334005.db2.gz ODRXBDCLSMYWKE-IKGGRYGDSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000333542512 141334006 /nfs/dbraw/zinc/33/40/06/141334006.db2.gz ODRXBDCLSMYWKE-IKGGRYGDSA-N 1 3 338.496 1.271 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339742852 142141280 /nfs/dbraw/zinc/14/12/80/142141280.db2.gz LMSKEQOZUJAVQP-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000339742852 142141281 /nfs/dbraw/zinc/14/12/81/142141281.db2.gz LMSKEQOZUJAVQP-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CCCN(CC[NH+](C)C)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000345322866 143077792 /nfs/dbraw/zinc/07/77/92/143077792.db2.gz RUOGUONALPMPBX-UHFFFAOYSA-N 1 3 346.519 1.999 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416843809 304350984 /nfs/dbraw/zinc/35/09/84/304350984.db2.gz PIKBUWNRNRGVEF-BZSNNMDCSA-N 1 3 330.476 1.410 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416843001 304351086 /nfs/dbraw/zinc/35/10/86/304351086.db2.gz OFLJBRRCFZBJFZ-KZNAEPCWSA-N 1 3 328.460 1.512 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000416972832 304358386 /nfs/dbraw/zinc/35/83/86/304358386.db2.gz ISZBPNIJVXLRAS-CRAIPNDOSA-N 1 3 330.476 1.682 20 0 EDADHO C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000416979756 304360380 /nfs/dbraw/zinc/36/03/80/304360380.db2.gz XJWTTXLREPAHJX-GJZGRUSLSA-N 1 3 334.464 1.519 20 0 EDADHO C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CCCOC1 ZINC000355039593 150087275 /nfs/dbraw/zinc/08/72/75/150087275.db2.gz AYVXUSYJNJXSMV-CGTJXYLNSA-N 1 3 333.476 1.810 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000355413647 150258300 /nfs/dbraw/zinc/25/83/00/150258300.db2.gz FNGNLCUAFQULPT-MRXNPFEDSA-N 1 3 348.491 1.863 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417034571 304363678 /nfs/dbraw/zinc/36/36/78/304363678.db2.gz GCFJZVOCZFVHBT-DLBZAZTESA-N 1 3 339.528 1.173 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417038030 304364570 /nfs/dbraw/zinc/36/45/70/304364570.db2.gz UHWNQLVJEVQEAU-MOPGFXCFSA-N 1 3 342.487 1.686 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417050398 304367050 /nfs/dbraw/zinc/36/70/50/304367050.db2.gz WXWYEALGMIBYOI-DLBZAZTESA-N 1 3 339.528 1.315 20 0 EDADHO CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000573805871 306635271 /nfs/dbraw/zinc/63/52/71/306635271.db2.gz SRWVXBQHEVIQGL-AEFFLSMTSA-N 1 3 347.507 1.714 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000357696016 151118199 /nfs/dbraw/zinc/11/81/99/151118199.db2.gz LGNPVMNPXCQGHO-HNNXBMFYSA-N 1 3 334.464 1.906 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358135938 151285107 /nfs/dbraw/zinc/28/51/07/151285107.db2.gz KWHIWFRPXROGNZ-INIZCTEOSA-N 1 3 342.528 1.904 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358135938 151285109 /nfs/dbraw/zinc/28/51/09/151285109.db2.gz KWHIWFRPXROGNZ-INIZCTEOSA-N 1 3 342.528 1.904 20 0 EDADHO CSC1(CNC(=O)N(C)CC2CC[NH+](C)CC2)CCN(C)CC1 ZINC000358329677 151339311 /nfs/dbraw/zinc/33/93/11/151339311.db2.gz ZMJMCRMISUSFCS-UHFFFAOYSA-N 1 3 342.553 1.797 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000417106180 304372994 /nfs/dbraw/zinc/37/29/94/304372994.db2.gz HLMQUHXFZSDVOJ-CQSZACIVSA-N 1 3 326.510 1.351 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000360743739 152180150 /nfs/dbraw/zinc/18/01/50/152180150.db2.gz GHPHDTQFTZCWIJ-RDJZCZTQSA-N 1 3 340.537 1.694 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081768 152297896 /nfs/dbraw/zinc/29/78/96/152297896.db2.gz SHACAYLRLYYSQG-SJORKVTESA-N 1 3 335.492 1.526 20 0 EDADHO COC1CCC([NH2+]Cc2c(C)nn(C)c2N2CCCN(C)CC2)CC1 ZINC000363860473 153077609 /nfs/dbraw/zinc/07/76/09/153077609.db2.gz LNEWSKRKUSAIIL-UHFFFAOYSA-N 1 3 349.523 1.918 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000364176634 153163628 /nfs/dbraw/zinc/16/36/28/153163628.db2.gz XFUHEGQKAXRSOD-ZACQAIPSSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000364176634 153163631 /nfs/dbraw/zinc/16/36/31/153163631.db2.gz XFUHEGQKAXRSOD-ZACQAIPSSA-N 1 3 338.496 1.269 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1(C)C ZINC000367380627 154095766 /nfs/dbraw/zinc/09/57/66/154095766.db2.gz BFKNKMOJGAOEGL-KDOFPFPSSA-N 1 3 335.423 1.942 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369506629 155063848 /nfs/dbraw/zinc/06/38/48/155063848.db2.gz IMCBLEANDJSNDA-QGZVFWFLSA-N 1 3 347.507 1.973 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371894966 156156711 /nfs/dbraw/zinc/15/67/11/156156711.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 1 3 345.491 1.388 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371894966 156156714 /nfs/dbraw/zinc/15/67/14/156156714.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 1 3 345.491 1.388 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371894966 156156718 /nfs/dbraw/zinc/15/67/18/156156718.db2.gz VUJOJLWSRUXVAO-INIZCTEOSA-N 1 3 345.491 1.388 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417442838 292348882 /nfs/dbraw/zinc/34/88/82/292348882.db2.gz WHJWDMSWJRYPIB-GJZGRUSLSA-N 1 3 326.485 1.256 20 0 EDADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378203419 158108037 /nfs/dbraw/zinc/10/80/37/158108037.db2.gz QURZIYYAGPLXNO-SJORKVTESA-N 1 3 338.540 1.816 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000378361601 158152553 /nfs/dbraw/zinc/15/25/53/158152553.db2.gz SMKQPYSDLVCFIV-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000352214794 162054772 /nfs/dbraw/zinc/05/47/72/162054772.db2.gz VBJITXBANWTZIA-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)[C@@H](C[NH3+])C1 ZINC000418243301 304469262 /nfs/dbraw/zinc/46/92/62/304469262.db2.gz WESNUHPNCPEZFB-GVDBMIGSSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)CN1CCN(C)CC1 ZINC000073664438 287262670 /nfs/dbraw/zinc/26/26/70/287262670.db2.gz LLDJCAVHOGERTL-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000159335729 225197571 /nfs/dbraw/zinc/19/75/71/225197571.db2.gz CGRJTXUHQXRYOV-AZUAARDMSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335729 225197574 /nfs/dbraw/zinc/19/75/74/225197574.db2.gz CGRJTXUHQXRYOV-AZUAARDMSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@H]1C[C@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335729 225197577 /nfs/dbraw/zinc/19/75/77/225197577.db2.gz CGRJTXUHQXRYOV-AZUAARDMSA-N 1 3 330.520 1.877 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000127755191 287444049 /nfs/dbraw/zinc/44/40/49/287444049.db2.gz UALSMXXWMZKAOY-UHFFFAOYSA-N 1 3 331.382 1.598 20 0 EDADHO CC1CCN(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000122062687 222005791 /nfs/dbraw/zinc/00/57/91/222005791.db2.gz BECCIAGZHPTTAV-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268804856 273022210 /nfs/dbraw/zinc/02/22/10/273022210.db2.gz KMNDCSPZWLFRCO-WSTZPKSXSA-N 1 3 345.535 1.912 20 0 EDADHO CCN(CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919453 452644702 /nfs/dbraw/zinc/64/47/02/452644702.db2.gz BTUYNQOMUTYDRQ-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000186661829 272946245 /nfs/dbraw/zinc/94/62/45/272946245.db2.gz PVURAJAUCMXSHM-MAUKXSAKSA-N 1 3 330.476 1.556 20 0 EDADHO COCCN1CC[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000283900670 274003432 /nfs/dbraw/zinc/00/34/32/274003432.db2.gz HUQHQZLKBDCVJF-SFHVURJKSA-N 1 3 347.503 1.970 20 0 EDADHO CC[NH2+]CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417020111 276265733 /nfs/dbraw/zinc/26/57/33/276265733.db2.gz MAMYUSRXWULEHR-GOSISDBHSA-N 1 3 347.507 1.274 20 0 EDADHO COCC[C@]1(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271667 277241811 /nfs/dbraw/zinc/24/18/11/277241811.db2.gz UEIQMEXIRCKNSB-QFBILLFUSA-N 1 3 333.476 1.639 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321347 277704068 /nfs/dbraw/zinc/70/40/68/277704068.db2.gz RJZGZGFYMZBHDZ-HZPDHXFCSA-N 1 3 333.480 1.341 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422879574 277762660 /nfs/dbraw/zinc/76/26/60/277762660.db2.gz MPBSIMRUMRAKOW-CDHAZOANSA-N 1 3 330.432 1.219 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000348640368 278341582 /nfs/dbraw/zinc/34/15/82/278341582.db2.gz HLLBQXQIVFOPMG-ZBFHGGJFSA-N 1 3 345.553 1.947 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000362824105 279105668 /nfs/dbraw/zinc/10/56/68/279105668.db2.gz XITBGKZBJXNSES-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336691 279109818 /nfs/dbraw/zinc/10/98/18/279109818.db2.gz OBUDPFVHIILDJV-IAGOWNOFSA-N 1 3 325.497 1.819 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238379 288134690 /nfs/dbraw/zinc/13/46/90/288134690.db2.gz OCUCSCKJZWBDJB-OAHLLOKOSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000339762700 279510602 /nfs/dbraw/zinc/51/06/02/279510602.db2.gz WJUCONIKPMEWQH-RTBURBONSA-N 1 3 339.524 1.312 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1CCN(C2CC2)CC1 ZINC000365136266 289332553 /nfs/dbraw/zinc/33/25/53/289332553.db2.gz JYDCMJNGLMLASY-SQNIBIBYSA-N 1 3 335.492 1.571 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303304 289352520 /nfs/dbraw/zinc/35/25/20/289352520.db2.gz CRZBAZOUQKOTIB-SJLPKXTDSA-N 1 3 332.492 1.466 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567179 290150857 /nfs/dbraw/zinc/15/08/57/290150857.db2.gz RLGZBMXPTNIBIK-DJKPWDNTSA-N 1 3 346.519 1.876 20 0 EDADHO CCOCCCNC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297987 453021729 /nfs/dbraw/zinc/02/17/29/453021729.db2.gz SVQNWLGKKNBSBG-NVXWUHKLSA-N 1 3 325.497 1.629 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@H](C)[C@H]1CC[NH2+]C1)CC2 ZINC000422771920 295039894 /nfs/dbraw/zinc/03/98/94/295039894.db2.gz WHTRXHOOIDQANR-ZBFHGGJFSA-N 1 3 333.476 1.650 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000418553030 304512276 /nfs/dbraw/zinc/51/22/76/304512276.db2.gz MTZBMJORARFSPQ-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419375544 304601066 /nfs/dbraw/zinc/60/10/66/304601066.db2.gz NDGRJOQILSJIMO-UHFFFAOYSA-N 1 3 336.524 1.536 20 0 EDADHO C[C@@H](CCNC(=O)C(=O)NC[C@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000419702230 304666321 /nfs/dbraw/zinc/66/63/21/304666321.db2.gz ASMVZZLUHHHZKY-RDJZCZTQSA-N 1 3 346.475 1.183 20 0 EDADHO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000344824294 303028730 /nfs/dbraw/zinc/02/87/30/303028730.db2.gz JBPPMCFIMOSWRH-RHSMWYFYSA-N 1 3 333.480 1.592 20 0 EDADHO C[C@@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000294737960 303141252 /nfs/dbraw/zinc/14/12/52/303141252.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@@H](NCCN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737960 303141254 /nfs/dbraw/zinc/14/12/54/303141254.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@@H](NCCN1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294737960 303141257 /nfs/dbraw/zinc/14/12/57/303141257.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc2cncn2c1)C[NH+]1CCN(C)CC1 ZINC000297300322 303382719 /nfs/dbraw/zinc/38/27/19/303382719.db2.gz QJXYVTQGFSZFNE-HNNXBMFYSA-N 1 3 344.463 1.017 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458386815 447338919 /nfs/dbraw/zinc/33/89/19/447338919.db2.gz WVYPKBAMMIGVBV-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458386815 447338926 /nfs/dbraw/zinc/33/89/26/447338926.db2.gz WVYPKBAMMIGVBV-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO c1ccc(OCc2cccnc2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414874807 447337123 /nfs/dbraw/zinc/33/71/23/447337123.db2.gz ZHSOJFGSGYDAPC-UHFFFAOYSA-N 1 3 326.444 1.655 20 0 EDADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414874065 447337459 /nfs/dbraw/zinc/33/74/59/447337459.db2.gz HYTMVWAVUCKUTR-AWEZNQCLSA-N 1 3 335.448 1.381 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000411631564 303901713 /nfs/dbraw/zinc/90/17/13/303901713.db2.gz MSKPHNUIVACILF-KBAYOESNSA-N 1 3 335.492 1.524 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999562 304882775 /nfs/dbraw/zinc/88/27/75/304882775.db2.gz SQXHDWKHADTOOJ-GVXVVHGQSA-N 1 3 333.354 1.821 20 0 EDADHO COC[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]C1 ZINC000423311764 304892205 /nfs/dbraw/zinc/89/22/05/304892205.db2.gz QMGBUTDBLZLZOJ-HXUWFJFHSA-N 1 3 345.487 1.915 20 0 EDADHO O=C(NCC1(N2CCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430722976 305063299 /nfs/dbraw/zinc/06/32/99/305063299.db2.gz RGWSSSCJJNLJOP-ZACQAIPSSA-N 1 3 335.492 1.668 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430757373 305064197 /nfs/dbraw/zinc/06/41/97/305064197.db2.gz FUSKKFMQDZIXLR-HZPDHXFCSA-N 1 3 345.487 1.769 20 0 EDADHO COCC[C@]1(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000430827936 305065532 /nfs/dbraw/zinc/06/55/32/305065532.db2.gz QCNVQBBFMKGFJM-PKOBYXMFSA-N 1 3 333.476 1.292 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876708 305066727 /nfs/dbraw/zinc/06/67/27/305066727.db2.gz GSBCQUYKXIRJLT-FVQBIDKESA-N 1 3 344.459 1.450 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CCN(C4CC4)C3)ccc21 ZINC000431040031 305073530 /nfs/dbraw/zinc/07/35/30/305073530.db2.gz UXMWBHHYMJGULE-MRXNPFEDSA-N 1 3 326.444 1.957 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000432855290 305096357 /nfs/dbraw/zinc/09/63/57/305096357.db2.gz VFQBPVLAJJTHBV-UHFFFAOYSA-N 1 3 325.478 1.463 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104678 /nfs/dbraw/zinc/10/46/78/305104678.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104679 /nfs/dbraw/zinc/10/46/79/305104679.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286091 305104890 /nfs/dbraw/zinc/10/48/90/305104890.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286091 305104891 /nfs/dbraw/zinc/10/48/91/305104891.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433399435 305107916 /nfs/dbraw/zinc/10/79/16/305107916.db2.gz JDZIRQSRYBNYHG-QLFBSQMISA-N 1 3 334.468 1.147 20 0 EDADHO C[C@H]([NH3+])CCC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000434678964 305127400 /nfs/dbraw/zinc/12/74/00/305127400.db2.gz ANSXFAKWZRVDCV-INIZCTEOSA-N 1 3 348.491 1.403 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2CCC(C[NH+](C)C)CC2)c1C ZINC000437586565 305176904 /nfs/dbraw/zinc/17/69/04/305176904.db2.gz YWVJNCORIWCWGG-UHFFFAOYSA-N 1 3 336.480 1.837 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000440137244 305203395 /nfs/dbraw/zinc/20/33/95/305203395.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000440137244 305203396 /nfs/dbraw/zinc/20/33/96/305203396.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 1 3 347.507 1.320 20 0 EDADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351197 /nfs/dbraw/zinc/35/11/97/305351197.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 1 3 337.508 1.822 20 0 EDADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(C[C@H]3CCCCO3)C2)CC1 ZINC000451527236 305351198 /nfs/dbraw/zinc/35/11/98/305351198.db2.gz DCOSGJIVHYJYRO-RTBURBONSA-N 1 3 337.508 1.822 20 0 EDADHO C[NH+](C)C/C=C/C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000491873817 305579633 /nfs/dbraw/zinc/57/96/33/305579633.db2.gz USZXSRZCEHNSQB-QPJJXVBHSA-N 1 3 344.459 1.440 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC(NC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414918491 447356151 /nfs/dbraw/zinc/35/61/51/447356151.db2.gz UOYUVXLPJKDYLQ-HNNXBMFYSA-N 1 3 337.489 1.347 20 0 EDADHO CC(C)[C@@H]1C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000541049365 306043630 /nfs/dbraw/zinc/04/36/30/306043630.db2.gz OHRLVWGLFXQXDO-SJORKVTESA-N 1 3 327.513 1.780 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148187 306091494 /nfs/dbraw/zinc/09/14/94/306091494.db2.gz URYNXXMXSQEZHL-OALUTQOASA-N 1 3 348.535 1.488 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC000552215572 306177781 /nfs/dbraw/zinc/17/77/81/306177781.db2.gz XRSQEOGSWKNIQV-IIAWOOMASA-N 1 3 327.513 1.355 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660828071 453591665 /nfs/dbraw/zinc/59/16/65/453591665.db2.gz USBWEMQGTNWKSA-MRXNPFEDSA-N 1 3 328.501 1.374 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000660828071 453591668 /nfs/dbraw/zinc/59/16/68/453591668.db2.gz USBWEMQGTNWKSA-MRXNPFEDSA-N 1 3 328.501 1.374 20 0 EDADHO C[NH2+]CCN(C)C(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419732235 447379580 /nfs/dbraw/zinc/37/95/80/447379580.db2.gz SEJSCQXJYPYHAB-HNNXBMFYSA-N 1 3 346.475 1.006 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000415435395 447436608 /nfs/dbraw/zinc/43/66/08/447436608.db2.gz JJYNSIFWEHPNAI-HIFRSBDPSA-N 1 3 332.448 1.273 20 0 EDADHO CC(=O)N1CCc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc21 ZINC000103211193 441177353 /nfs/dbraw/zinc/17/73/53/441177353.db2.gz TZNCBIYJFWHPIL-UHFFFAOYSA-N 1 3 346.475 1.161 20 0 EDADHO COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213335 441177795 /nfs/dbraw/zinc/17/77/95/441177795.db2.gz FEZCQFRANICFNS-DLBZAZTESA-N 1 3 333.476 1.751 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000074498946 441440574 /nfs/dbraw/zinc/44/05/74/441440574.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000074498946 441440577 /nfs/dbraw/zinc/44/05/77/441440577.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462991 /nfs/dbraw/zinc/46/29/91/441462991.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO CN1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462995 /nfs/dbraw/zinc/46/29/95/441462995.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO C[N@@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052589834 441462998 /nfs/dbraw/zinc/46/29/98/441462998.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO C[N@H+]1CCC[C@@H](NC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000052589834 441463001 /nfs/dbraw/zinc/46/30/01/441463001.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108561226 441464859 /nfs/dbraw/zinc/46/48/59/441464859.db2.gz XVVIKWDMFNJAAQ-RBUKOAKNSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108561226 441464862 /nfs/dbraw/zinc/46/48/62/441464862.db2.gz XVVIKWDMFNJAAQ-RBUKOAKNSA-N 1 3 344.503 1.943 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)N(C)C ZINC000089344640 441539506 /nfs/dbraw/zinc/53/95/06/441539506.db2.gz GLULHPKBVAYRLJ-KRWDZBQOSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000067686616 441666881 /nfs/dbraw/zinc/66/68/81/441666881.db2.gz XFOKVZBDRAGFCU-INIZCTEOSA-N 1 3 331.464 1.644 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000067686616 441666890 /nfs/dbraw/zinc/66/68/90/441666890.db2.gz XFOKVZBDRAGFCU-INIZCTEOSA-N 1 3 331.464 1.644 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408041 441737566 /nfs/dbraw/zinc/73/75/66/441737566.db2.gz DQTZMMAPRSYNMZ-DLBZAZTESA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000173408041 441737572 /nfs/dbraw/zinc/73/75/72/441737572.db2.gz DQTZMMAPRSYNMZ-DLBZAZTESA-N 1 3 338.496 1.223 20 0 EDADHO CC[C@@H](C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000124763991 441950932 /nfs/dbraw/zinc/95/09/32/441950932.db2.gz NGWYUFCPRFIFGM-IBGZPJMESA-N 1 3 346.519 1.964 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@H]2CCCCN2CCO)CCCC1 ZINC000458664444 447445021 /nfs/dbraw/zinc/44/50/21/447445021.db2.gz QBAIJHZSRNOAJT-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126121596 442080264 /nfs/dbraw/zinc/08/02/64/442080264.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126121596 442080269 /nfs/dbraw/zinc/08/02/69/442080269.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)CCN1C ZINC000163494446 442169765 /nfs/dbraw/zinc/16/97/65/442169765.db2.gz LKCJXUFIJXEUPW-WBVHZDCISA-N 1 3 338.540 1.685 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176100164 442176500 /nfs/dbraw/zinc/17/65/00/442176500.db2.gz QBVXJWINXYRGQY-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176100164 442176502 /nfs/dbraw/zinc/17/65/02/442176502.db2.gz QBVXJWINXYRGQY-UHFFFAOYSA-N 1 3 348.491 1.843 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176001394 442159479 /nfs/dbraw/zinc/15/94/79/442159479.db2.gz BERFSDJKRZSYFQ-HOTGVXAUSA-N 1 3 326.485 1.269 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152478728 442217907 /nfs/dbraw/zinc/21/79/07/442217907.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 1 3 332.448 1.388 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152478728 442217910 /nfs/dbraw/zinc/21/79/10/442217910.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 1 3 332.448 1.388 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176400712 442218334 /nfs/dbraw/zinc/21/83/34/442218334.db2.gz CYAZAEFCZDWUSK-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176400712 442218336 /nfs/dbraw/zinc/21/83/36/442218336.db2.gz CYAZAEFCZDWUSK-QGZVFWFLSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000128100458 442244790 /nfs/dbraw/zinc/24/47/90/442244790.db2.gz QEMCNOAVPAYSDC-YVSFHVDLSA-N 1 3 337.508 1.865 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022137 442402106 /nfs/dbraw/zinc/40/21/06/442402106.db2.gz YWHRQCBGDYLNGH-IAGOWNOFSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@H]1CN(CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000155919702 442436783 /nfs/dbraw/zinc/43/67/83/442436783.db2.gz WXATWYOJDROJGL-IRXDYDNUSA-N 1 3 340.508 1.739 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873850 442510084 /nfs/dbraw/zinc/51/00/84/442510084.db2.gz MWLMYWFSKALARB-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NCc1ccccc1C[NH+]1CCCC1 ZINC000178754790 442475071 /nfs/dbraw/zinc/47/50/71/442475071.db2.gz GUIIQPQJRTTZNM-QGZVFWFLSA-N 1 3 333.501 1.994 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000134923606 442537266 /nfs/dbraw/zinc/53/72/66/442537266.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 1 3 348.491 1.656 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000134923606 442537268 /nfs/dbraw/zinc/53/72/68/442537268.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 1 3 348.491 1.656 20 0 EDADHO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NC1CCN(C2CC2)CC1 ZINC000157156236 442554926 /nfs/dbraw/zinc/55/49/26/442554926.db2.gz CYFDVTKBPBCDRW-SFHVURJKSA-N 1 3 348.535 1.680 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953416 442699791 /nfs/dbraw/zinc/69/97/91/442699791.db2.gz SLDWEMYWACNTTJ-WZGPROSRSA-N 1 3 345.487 1.875 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000246360475 442775943 /nfs/dbraw/zinc/77/59/43/442775943.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000246360475 442775948 /nfs/dbraw/zinc/77/59/48/442775948.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182834691 442833547 /nfs/dbraw/zinc/83/35/47/442833547.db2.gz OWFWKDBDLGFQEE-SJORKVTESA-N 1 3 345.553 1.205 20 0 EDADHO C[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000246765251 442811535 /nfs/dbraw/zinc/81/15/35/442811535.db2.gz QURXGRLKDZWAAF-LSDHHAIUSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCC[C@H](C)C1 ZINC000246765251 442811538 /nfs/dbraw/zinc/81/15/38/442811538.db2.gz QURXGRLKDZWAAF-LSDHHAIUSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148203 442870048 /nfs/dbraw/zinc/87/00/48/442870048.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148203 442870050 /nfs/dbraw/zinc/87/00/50/442870050.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268947592 443156315 /nfs/dbraw/zinc/15/63/15/443156315.db2.gz BNTDHXLZHPHCNJ-INIZCTEOSA-N 1 3 333.476 1.631 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)[C@H](C)C1 ZINC000262758465 443210690 /nfs/dbraw/zinc/21/06/90/443210690.db2.gz ICLLMPJZLVWGHU-OAGGEKHMSA-N 1 3 343.537 1.335 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CSCCN2)[C@H](C)C1 ZINC000262758465 443210694 /nfs/dbraw/zinc/21/06/94/443210694.db2.gz ICLLMPJZLVWGHU-OAGGEKHMSA-N 1 3 343.537 1.335 20 0 EDADHO C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CCN1Cc1ccccc1 ZINC000269250881 443250952 /nfs/dbraw/zinc/25/09/52/443250952.db2.gz GWOUXMAZOKZAEI-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126133 /nfs/dbraw/zinc/12/61/33/319126133.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 1 3 331.504 1.753 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126135 /nfs/dbraw/zinc/12/61/35/319126135.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 1 3 331.504 1.753 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000414670764 319338919 /nfs/dbraw/zinc/33/89/19/319338919.db2.gz MRXTZPJODAVDIC-HNNXBMFYSA-N 1 3 334.439 1.145 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684292 319342265 /nfs/dbraw/zinc/34/22/65/319342265.db2.gz VFOYLWQMLQYHNH-ZWKOTPCHSA-N 1 3 336.524 1.395 20 0 EDADHO COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693487 319343496 /nfs/dbraw/zinc/34/34/96/319343496.db2.gz RTHSJWAMENMQKB-SJLPKXTDSA-N 1 3 345.487 1.899 20 0 EDADHO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693487 319343498 /nfs/dbraw/zinc/34/34/98/319343498.db2.gz RTHSJWAMENMQKB-SJLPKXTDSA-N 1 3 345.487 1.899 20 0 EDADHO COCc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414992485 319344235 /nfs/dbraw/zinc/34/42/35/319344235.db2.gz TUXOAIHEXQXAHG-HNNXBMFYSA-N 1 3 331.382 1.759 20 0 EDADHO Cc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)c(OCCN(C)C)c1 ZINC000415199836 319349984 /nfs/dbraw/zinc/34/99/84/319349984.db2.gz DNLWZGVYMRQFGW-CQSZACIVSA-N 1 3 336.436 1.127 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415234683 319354689 /nfs/dbraw/zinc/35/46/89/319354689.db2.gz UYIYHQDNBGAYIN-UHFFFAOYSA-N 1 3 346.475 1.679 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415726937 319367098 /nfs/dbraw/zinc/36/70/98/319367098.db2.gz QBARBSVKCPAGKV-LJQANCHMSA-N 1 3 344.459 1.289 20 0 EDADHO CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1N(C)C ZINC000415892745 319382460 /nfs/dbraw/zinc/38/24/60/319382460.db2.gz JJEQMOIKGIEIMR-HZPDHXFCSA-N 1 3 334.489 1.842 20 0 EDADHO COCCN(CCN(C)C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956811 319384683 /nfs/dbraw/zinc/38/46/83/319384683.db2.gz OREHDVGWRWVCAS-UHFFFAOYSA-N 1 3 338.427 1.513 20 0 EDADHO CCOC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191386978 443288259 /nfs/dbraw/zinc/28/82/59/443288259.db2.gz XSBNRWAWGWNDOU-KRWDZBQOSA-N 1 3 325.497 1.678 20 0 EDADHO CCOC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191386978 443288263 /nfs/dbraw/zinc/28/82/63/443288263.db2.gz XSBNRWAWGWNDOU-KRWDZBQOSA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000278774374 443433495 /nfs/dbraw/zinc/43/34/95/443433495.db2.gz YPNXWILNRKVDPW-OXJNMPFZSA-N 1 3 347.503 1.847 20 0 EDADHO COc1cccc(CN(C)C(=O)CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431026340 319937541 /nfs/dbraw/zinc/93/75/41/319937541.db2.gz WPNTUWWNKPBHLK-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO CN1CC[C@H]2CN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)C[C@H]21 ZINC000454324423 320286486 /nfs/dbraw/zinc/28/64/86/320286486.db2.gz VSCNNPITKLFQNM-FUHWJXTLSA-N 1 3 346.475 1.473 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)[C@@H]1SC ZINC000459381241 320347936 /nfs/dbraw/zinc/34/79/36/320347936.db2.gz USUKYTOZFPOZTB-ZACQAIPSSA-N 1 3 329.554 1.903 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000471641714 320352935 /nfs/dbraw/zinc/35/29/35/320352935.db2.gz HXAXELYXONQWCK-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241486 320617106 /nfs/dbraw/zinc/61/71/06/320617106.db2.gz QHNQBGLJRWBDFB-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118811 320649305 /nfs/dbraw/zinc/64/93/05/320649305.db2.gz GYZUKCHLJOKDKX-CQSZACIVSA-N 1 3 337.512 1.167 20 0 EDADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CCN(C)C ZINC000562915503 321081181 /nfs/dbraw/zinc/08/11/81/321081181.db2.gz QFFLUPGKPHMIHB-CABCVRRESA-N 1 3 334.468 1.535 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000563714219 321113087 /nfs/dbraw/zinc/11/30/87/321113087.db2.gz IIFBZRZCGPBDOD-UHFFFAOYSA-N 1 3 346.475 1.900 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)CC1 ZINC000566190321 321221882 /nfs/dbraw/zinc/22/18/82/321221882.db2.gz PLDZYWIPMZGCLK-DLBZAZTESA-N 1 3 334.508 1.003 20 0 EDADHO C[NH2+]CCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000285750000 444095393 /nfs/dbraw/zinc/09/53/93/444095393.db2.gz IYTJNPMMHOVMPP-UHFFFAOYSA-N 1 3 339.867 1.909 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000567804645 321258849 /nfs/dbraw/zinc/25/88/49/321258849.db2.gz RODYHFCQFLMGKD-IBGZPJMESA-N 1 3 345.487 1.197 20 0 EDADHO C[C@@H](CC(=O)NC[C@@H](O)CN1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568389341 321289061 /nfs/dbraw/zinc/28/90/61/321289061.db2.gz DSPPMVGODGFKPH-GVDBMIGSSA-N 1 3 325.497 1.221 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000568745734 321304675 /nfs/dbraw/zinc/30/46/75/321304675.db2.gz JIESPZUORLHIGP-HKUYNNGSSA-N 1 3 342.487 1.112 20 0 EDADHO CN(C(=O)N[C@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000570652628 321351782 /nfs/dbraw/zinc/35/17/82/321351782.db2.gz UZMPOPOONXRCRH-INIZCTEOSA-N 1 3 331.464 1.092 20 0 EDADHO CCN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cn1 ZINC000571743568 321399334 /nfs/dbraw/zinc/39/93/34/321399334.db2.gz WVHWPUAQWFUHRL-APWZRJJASA-N 1 3 345.491 1.274 20 0 EDADHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(-c2ccncc2)n1 ZINC000282285903 444137677 /nfs/dbraw/zinc/13/76/77/444137677.db2.gz IPJGRUNBKGAWAC-UHFFFAOYSA-N 1 3 342.491 1.598 20 0 EDADHO COc1ccc(C[C@H](C)NC[C@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927214 444155012 /nfs/dbraw/zinc/15/50/12/444155012.db2.gz FCANUUOIDCBYEH-YOEHRIQHSA-N 1 3 336.476 1.990 20 0 EDADHO Cc1ccccc1CCNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000289552603 444169929 /nfs/dbraw/zinc/16/99/29/444169929.db2.gz XIFZGAUZENQKPU-UHFFFAOYSA-N 1 3 348.535 1.469 20 0 EDADHO CN1CCN(CC[NH2+]Cc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000282251928 444127102 /nfs/dbraw/zinc/12/71/02/444127102.db2.gz GQRYWCMBQXUMPK-UHFFFAOYSA-N 1 3 327.476 1.988 20 0 EDADHO CCOC(=O)c1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)[nH]c1C ZINC000296661690 444246457 /nfs/dbraw/zinc/24/64/57/444246457.db2.gz FFRPZMGSXWCJGL-UHFFFAOYSA-N 1 3 336.480 1.615 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000577370275 321646279 /nfs/dbraw/zinc/64/62/79/321646279.db2.gz ZIFXFXBFJMPJHQ-UHFFFAOYSA-N 1 3 334.464 1.398 20 0 EDADHO NC(=O)COc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297716513 444322783 /nfs/dbraw/zinc/32/27/83/444322783.db2.gz RJXJISWWYDWBNG-UHFFFAOYSA-N 1 3 340.427 1.704 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000310021229 444290824 /nfs/dbraw/zinc/29/08/24/444290824.db2.gz BHIBEALZAKPFHS-QGZVFWFLSA-N 1 3 330.476 1.061 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000578768762 321829293 /nfs/dbraw/zinc/82/92/93/321829293.db2.gz PNIDRFWAGCTNKP-QCBUCWTNSA-N 1 3 349.519 1.756 20 0 EDADHO CN1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](CN)C1 ZINC000580053226 322002109 /nfs/dbraw/zinc/00/21/09/322002109.db2.gz IVPFPENHBITRSM-GOSISDBHSA-N 1 3 345.491 1.067 20 0 EDADHO CN1CC[C@](O)(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000580873131 322105780 /nfs/dbraw/zinc/10/57/80/322105780.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 1 3 329.488 1.838 20 0 EDADHO CC(C)[C@@H](N)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000581010454 322124170 /nfs/dbraw/zinc/12/41/70/322124170.db2.gz IVJOMYBXYCMKLR-QGZVFWFLSA-N 1 3 333.480 1.566 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000581478580 322182021 /nfs/dbraw/zinc/18/20/21/322182021.db2.gz CMKFWOBLYXGJFH-SFHVURJKSA-N 1 3 346.475 1.282 20 0 EDADHO CC[N@H+](CCC1CCN(C[C@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706310 444533058 /nfs/dbraw/zinc/53/30/58/444533058.db2.gz GLKOFOHMOHFZPU-SFHVURJKSA-N 1 3 326.481 1.744 20 0 EDADHO CC[N@@H+](CCC1CCN(C[C@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706310 444533065 /nfs/dbraw/zinc/53/30/65/444533065.db2.gz GLKOFOHMOHFZPU-SFHVURJKSA-N 1 3 326.481 1.744 20 0 EDADHO CC[N@H+](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C1CC1 ZINC000341084830 444665641 /nfs/dbraw/zinc/66/56/41/444665641.db2.gz JYPNODMEETZJTQ-UHFFFAOYSA-N 1 3 344.503 1.869 20 0 EDADHO CC[N@@H+](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)C1CC1 ZINC000341084830 444665645 /nfs/dbraw/zinc/66/56/45/444665645.db2.gz JYPNODMEETZJTQ-UHFFFAOYSA-N 1 3 344.503 1.869 20 0 EDADHO CC(=O)N1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000342417017 444683232 /nfs/dbraw/zinc/68/32/32/444683232.db2.gz KCMTVTDFTKPKGY-UHFFFAOYSA-N 1 3 334.464 1.513 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333889784 444709654 /nfs/dbraw/zinc/70/96/54/444709654.db2.gz XYKIHAMKUSQQSA-HOTGVXAUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204602 444728242 /nfs/dbraw/zinc/72/82/42/444728242.db2.gz PWMOMWYKTLZMOE-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204602 444728246 /nfs/dbraw/zinc/72/82/46/444728246.db2.gz PWMOMWYKTLZMOE-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344032322 444740233 /nfs/dbraw/zinc/74/02/33/444740233.db2.gz PUUJZAPHOLVOGQ-SJORKVTESA-N 1 3 326.529 1.497 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000338569687 444749514 /nfs/dbraw/zinc/74/95/14/444749514.db2.gz LIOCZGYFGOGPJM-HOTGVXAUSA-N 1 3 325.497 1.534 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000342781229 444864248 /nfs/dbraw/zinc/86/42/48/444864248.db2.gz NGAGBVSLCCTWBP-KXBFYZLASA-N 1 3 345.487 1.457 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000342781229 444864251 /nfs/dbraw/zinc/86/42/51/444864251.db2.gz NGAGBVSLCCTWBP-KXBFYZLASA-N 1 3 345.487 1.457 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCC(=O)OC ZINC000342709581 444827480 /nfs/dbraw/zinc/82/74/80/444827480.db2.gz OWPNGEAALDRPMQ-SOUVJXGZSA-N 1 3 327.469 1.284 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093950 /nfs/dbraw/zinc/09/39/50/445093950.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093957 /nfs/dbraw/zinc/09/39/57/445093957.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cc(C)cn1 ZINC000337581064 445149119 /nfs/dbraw/zinc/14/91/19/445149119.db2.gz NYLVLLXGSUICDT-KRWDZBQOSA-N 1 3 335.496 1.456 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1cc(C)cn1 ZINC000337581064 445149124 /nfs/dbraw/zinc/14/91/24/445149124.db2.gz NYLVLLXGSUICDT-KRWDZBQOSA-N 1 3 335.496 1.456 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000348324471 445256727 /nfs/dbraw/zinc/25/67/27/445256727.db2.gz XTSGQFRVXNOTKD-KSZLIROESA-N 1 3 327.513 1.170 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348324471 445256730 /nfs/dbraw/zinc/25/67/30/445256730.db2.gz XTSGQFRVXNOTKD-KSZLIROESA-N 1 3 327.513 1.170 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000343604532 445260173 /nfs/dbraw/zinc/26/01/73/445260173.db2.gz KURXASUKARQATD-PXNSSMCTSA-N 1 3 330.520 1.864 20 0 EDADHO C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348516166 445310763 /nfs/dbraw/zinc/31/07/63/445310763.db2.gz QANHKAZBLZYSDO-AITUJVMLSA-N 1 3 341.459 1.718 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000354507721 445270020 /nfs/dbraw/zinc/27/00/20/445270020.db2.gz JCKVQRCCZUZPBH-KRWDZBQOSA-N 1 3 336.524 1.393 20 0 EDADHO C[NH+](C)CCCCCCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000362396773 445359441 /nfs/dbraw/zinc/35/94/41/445359441.db2.gz PUHODEOKAHGMNZ-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355406569 445458458 /nfs/dbraw/zinc/45/84/58/445458458.db2.gz DQUJVXXFFKZSFQ-KURKYZTESA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355406569 445458461 /nfs/dbraw/zinc/45/84/61/445458461.db2.gz DQUJVXXFFKZSFQ-KURKYZTESA-N 1 3 336.524 1.488 20 0 EDADHO COC(=O)CCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000359954426 445502729 /nfs/dbraw/zinc/50/27/29/445502729.db2.gz NCHBUDQYRKVBNF-UHFFFAOYSA-N 1 3 325.453 1.005 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000362805733 445558512 /nfs/dbraw/zinc/55/85/12/445558512.db2.gz LDYNNROGODIEQX-SFHVURJKSA-N 1 3 331.460 1.585 20 0 EDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000353459223 445611143 /nfs/dbraw/zinc/61/11/43/445611143.db2.gz LLHPOAKNLFCDTJ-IAGOWNOFSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000362936443 445616391 /nfs/dbraw/zinc/61/63/91/445616391.db2.gz VNFKWBXWEPFUHS-KMFMINBZSA-N 1 3 335.448 1.124 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000362936443 445616394 /nfs/dbraw/zinc/61/63/94/445616394.db2.gz VNFKWBXWEPFUHS-KMFMINBZSA-N 1 3 335.448 1.124 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000362985173 445638346 /nfs/dbraw/zinc/63/83/46/445638346.db2.gz AHYODWJFRPEZFG-XGXHKWSGSA-N 1 3 345.487 1.183 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000362985173 445638349 /nfs/dbraw/zinc/63/83/49/445638349.db2.gz AHYODWJFRPEZFG-XGXHKWSGSA-N 1 3 345.487 1.183 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000362990802 445640655 /nfs/dbraw/zinc/64/06/55/445640655.db2.gz PXMJYDRRNUNHNE-SJLPKXTDSA-N 1 3 336.524 1.201 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000362990802 445640659 /nfs/dbraw/zinc/64/06/59/445640659.db2.gz PXMJYDRRNUNHNE-SJLPKXTDSA-N 1 3 336.524 1.201 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCN1CCOC ZINC000349710579 445651920 /nfs/dbraw/zinc/65/19/20/445651920.db2.gz GCEPSBXANZKOSS-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910935 445718741 /nfs/dbraw/zinc/71/87/41/445718741.db2.gz MYXHQHWRFUKQOI-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1 ZINC000358723024 445743110 /nfs/dbraw/zinc/74/31/10/445743110.db2.gz OXXVUZFVVCKMQG-DNVCBOLYSA-N 1 3 348.491 1.482 20 0 EDADHO Cc1nccn1CCCC[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363459230 445813980 /nfs/dbraw/zinc/81/39/80/445813980.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 1 3 333.524 1.931 20 0 EDADHO Cc1nccn1CCCC[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363459230 445813983 /nfs/dbraw/zinc/81/39/83/445813983.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 1 3 333.524 1.931 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000350732660 445892102 /nfs/dbraw/zinc/89/21/02/445892102.db2.gz QSZROMQFLMLQPC-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO COC(=O)C(C)(C)CC[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000354201308 445994224 /nfs/dbraw/zinc/99/42/24/445994224.db2.gz YFZUVQZUYSYZNS-UHFFFAOYSA-N 1 3 348.491 1.773 20 0 EDADHO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1[nH]nc3c1CNCC3)CC2)C1CC1 ZINC000364738282 445949548 /nfs/dbraw/zinc/94/95/48/445949548.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 1 3 343.475 1.392 20 0 EDADHO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1[nH]nc3c1CNCC3)CC2)C1CC1 ZINC000364738282 445949551 /nfs/dbraw/zinc/94/95/51/445949551.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 1 3 343.475 1.392 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000366126150 446030542 /nfs/dbraw/zinc/03/05/42/446030542.db2.gz MRJCMXQDBUREBB-UHFFFAOYSA-N 1 3 347.507 1.538 20 0 EDADHO c1cc2c(cc1CN1CCN(CC[C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000583815406 326145405 /nfs/dbraw/zinc/14/54/05/326145405.db2.gz KEFHZDIEQOSEOD-INIZCTEOSA-N 1 3 331.460 1.575 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](O)C3CCC3)CC2)CC1 ZINC000583944394 326171454 /nfs/dbraw/zinc/17/14/54/326171454.db2.gz LVVHQEGPRZSPAW-SFHVURJKSA-N 1 3 337.508 1.460 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000369640563 446137574 /nfs/dbraw/zinc/13/75/74/446137574.db2.gz JWDXERCFRANXHZ-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1C ZINC000369640563 446137578 /nfs/dbraw/zinc/13/75/78/446137578.db2.gz JWDXERCFRANXHZ-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544459 446146492 /nfs/dbraw/zinc/14/64/92/446146492.db2.gz UXOWHKKGANSCLM-GDBMZVCRSA-N 1 3 346.475 1.100 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000351625803 446217929 /nfs/dbraw/zinc/21/79/29/446217929.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1)C1CC1 ZINC000351625803 446217932 /nfs/dbraw/zinc/21/79/32/446217932.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217934 /nfs/dbraw/zinc/21/79/34/446217934.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCN(C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217938 /nfs/dbraw/zinc/21/79/38/446217938.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 1 3 349.523 1.190 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000366450407 446220026 /nfs/dbraw/zinc/22/00/26/446220026.db2.gz ISYOGIADVGATJE-PIIMJCKOSA-N 1 3 328.460 1.165 20 0 EDADHO CCCN1CCN(c2ccccc2CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359457256 446234057 /nfs/dbraw/zinc/23/40/57/446234057.db2.gz IURMRKRUOGAQDR-RTBURBONSA-N 1 3 328.504 1.870 20 0 EDADHO CSC[C@H](O)CN(C)[C@H]1CCC[N@H+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277713 /nfs/dbraw/zinc/27/77/13/446277713.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 1 3 336.567 1.221 20 0 EDADHO CSC[C@H](O)CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277717 /nfs/dbraw/zinc/27/77/17/446277717.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 1 3 336.567 1.221 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000365705098 446308719 /nfs/dbraw/zinc/30/87/19/446308719.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 1 3 342.528 1.595 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000365705098 446308721 /nfs/dbraw/zinc/30/87/21/446308721.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 1 3 342.528 1.595 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000359607216 446316819 /nfs/dbraw/zinc/31/68/19/446316819.db2.gz ZPTXYWQWLKSABF-ZWKOTPCHSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000359607216 446316822 /nfs/dbraw/zinc/31/68/22/446316822.db2.gz ZPTXYWQWLKSABF-ZWKOTPCHSA-N 1 3 341.540 1.824 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1OCCN(C)C ZINC000417362392 446348275 /nfs/dbraw/zinc/34/82/75/446348275.db2.gz LDYQMCARYCLDTK-MRXNPFEDSA-N 1 3 336.480 1.800 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417517445 446360712 /nfs/dbraw/zinc/36/07/12/446360712.db2.gz QERYVWHPUDQKTR-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCCNCC1)c1ccccc1 ZINC000417517445 446360717 /nfs/dbraw/zinc/36/07/17/446360717.db2.gz QERYVWHPUDQKTR-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417547652 446363504 /nfs/dbraw/zinc/36/35/04/446363504.db2.gz OWVGACUMZMEPQD-MRXNPFEDSA-N 1 3 340.512 1.693 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417548704 446363735 /nfs/dbraw/zinc/36/37/35/446363735.db2.gz RNISCPOLDJOYRM-UHFFFAOYSA-N 1 3 340.512 1.837 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417546677 446364402 /nfs/dbraw/zinc/36/44/02/446364402.db2.gz MYELHGDUQMMXQZ-KRWDZBQOSA-N 1 3 348.491 1.875 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374780108 446391753 /nfs/dbraw/zinc/39/17/53/446391753.db2.gz RSQBEMYOVYWSQX-HNNXBMFYSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374780108 446391758 /nfs/dbraw/zinc/39/17/58/446391758.db2.gz RSQBEMYOVYWSQX-HNNXBMFYSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374780108 446391763 /nfs/dbraw/zinc/39/17/63/446391763.db2.gz RSQBEMYOVYWSQX-HNNXBMFYSA-N 1 3 325.497 1.676 20 0 EDADHO CC(C)(C[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418070705 446430902 /nfs/dbraw/zinc/43/09/02/446430902.db2.gz HHPOTLDVXHMNRD-MRXNPFEDSA-N 1 3 334.464 1.314 20 0 EDADHO COc1ccc([C@H](N[C@@H]2CCCN(CCCO)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147750 446440571 /nfs/dbraw/zinc/44/05/71/446440571.db2.gz SSBXDLGRBJOOSD-HOJAQTOUSA-N 1 3 347.503 1.925 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418177441 446446691 /nfs/dbraw/zinc/44/66/91/446446691.db2.gz XPXBAALKZWVQTI-AWEZNQCLSA-N 1 3 334.464 1.567 20 0 EDADHO C[NH2+]C[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420279887 446448689 /nfs/dbraw/zinc/44/86/89/446448689.db2.gz XQHRJRFDGLYOAW-SJLPKXTDSA-N 1 3 332.492 1.337 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000417971044 446403721 /nfs/dbraw/zinc/40/37/21/446403721.db2.gz RFXAVIGWMFATEF-MRXNPFEDSA-N 1 3 333.480 1.971 20 0 EDADHO CN(C)CCCN(CCC[NH+](C)C)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000370753551 446416603 /nfs/dbraw/zinc/41/66/03/446416603.db2.gz IXTNTLKVXJVORM-SJPCQFCGSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)ccc1CN(C)C ZINC000411187524 446422283 /nfs/dbraw/zinc/42/22/83/446422283.db2.gz BELUGKZDFHDOHH-AWEZNQCLSA-N 1 3 334.464 1.452 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418190064 446453914 /nfs/dbraw/zinc/45/39/14/446453914.db2.gz IVWXMISIYQGPHY-SFHVURJKSA-N 1 3 349.479 1.211 20 0 EDADHO C[NH2+]CCCNC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418277931 446480908 /nfs/dbraw/zinc/48/09/08/446480908.db2.gz JZOHMYMSIHDRQX-MSOLQXFVSA-N 1 3 330.476 1.759 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000423262956 446468989 /nfs/dbraw/zinc/46/89/89/446468989.db2.gz ACLIDKTWBQTQEF-MDZLAQPJSA-N 1 3 328.254 1.716 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H]1CN ZINC000423262956 446468990 /nfs/dbraw/zinc/46/89/90/446468990.db2.gz ACLIDKTWBQTQEF-MDZLAQPJSA-N 1 3 328.254 1.716 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296719 446476617 /nfs/dbraw/zinc/47/66/17/446476617.db2.gz HNIFIHYEIMZXJP-MSOLQXFVSA-N 1 3 341.459 1.840 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)n1 ZINC000423375749 446509201 /nfs/dbraw/zinc/50/92/01/446509201.db2.gz IVCMUOWIOOLXSP-INIZCTEOSA-N 1 3 329.448 2.109 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339605 446510253 /nfs/dbraw/zinc/51/02/53/446510253.db2.gz OMTVNTXTGKDUAB-CALCHBBNSA-N 1 3 331.460 1.285 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391262 446514305 /nfs/dbraw/zinc/51/43/05/446514305.db2.gz NLGOZEINZISLGO-HUUCEWRRSA-N 1 3 333.480 1.443 20 0 EDADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343882 446515848 /nfs/dbraw/zinc/51/58/48/446515848.db2.gz RYSRVWUZBOLWAN-RYQLBKOJSA-N 1 3 327.472 1.891 20 0 EDADHO COc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420382442 446558835 /nfs/dbraw/zinc/55/88/35/446558835.db2.gz PTQDXOADVZVBPH-OAHLLOKOSA-N 1 3 331.420 1.461 20 0 EDADHO COc1ccccc1OCC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000420382442 446558837 /nfs/dbraw/zinc/55/88/37/446558837.db2.gz PTQDXOADVZVBPH-OAHLLOKOSA-N 1 3 331.420 1.461 20 0 EDADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386860 446563129 /nfs/dbraw/zinc/56/31/29/446563129.db2.gz JFSIKSHYHILLCE-NXOAAHMSSA-N 1 3 335.492 1.476 20 0 EDADHO CC1(C)CNCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420353081 446531876 /nfs/dbraw/zinc/53/18/76/446531876.db2.gz BIEYSTRUMFGQJN-OAHLLOKOSA-N 1 3 328.453 1.967 20 0 EDADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCOCC1 ZINC000453202076 446550704 /nfs/dbraw/zinc/55/07/04/446550704.db2.gz YEUACLVVTHMDMV-QFBILLFUSA-N 1 3 348.487 1.927 20 0 EDADHO Cc1cccc(CN2CCN(C(=O)C[NH2+][C@H](CN)C(C)(C)C)CC2)c1 ZINC000420374104 446553055 /nfs/dbraw/zinc/55/30/55/446553055.db2.gz ZYYPPPANDXQWOU-GOSISDBHSA-N 1 3 346.519 1.602 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927659 446610521 /nfs/dbraw/zinc/61/05/21/446610521.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 1 3 336.398 1.875 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000367927659 446610526 /nfs/dbraw/zinc/61/05/26/446610526.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 1 3 336.398 1.875 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376632367 446618136 /nfs/dbraw/zinc/61/81/36/446618136.db2.gz MCJILUOEWDVIMQ-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000420401669 446575031 /nfs/dbraw/zinc/57/50/31/446575031.db2.gz POVKRIQJHYHSPC-KSZLIROESA-N 1 3 330.476 1.232 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH3+] ZINC000418515804 446576042 /nfs/dbraw/zinc/57/60/42/446576042.db2.gz WQLFKVOAQUOYDD-QGZVFWFLSA-N 1 3 333.480 1.816 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465002 446576848 /nfs/dbraw/zinc/57/68/48/446576848.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465002 446576852 /nfs/dbraw/zinc/57/68/52/446576852.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409403 446582563 /nfs/dbraw/zinc/58/25/63/446582563.db2.gz VNULWNPIQZDDHT-OLMNPRSZSA-N 1 3 328.460 1.968 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N(C)CCN(C)C)cc1 ZINC000418546305 446588340 /nfs/dbraw/zinc/58/83/40/446588340.db2.gz JKFWLGZMHTVQET-DLBZAZTESA-N 1 3 334.464 1.344 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCN(C2CC2)C1 ZINC000418567019 446598049 /nfs/dbraw/zinc/59/80/49/446598049.db2.gz AQSZMVJJLRPQJC-CQSZACIVSA-N 1 3 328.460 1.916 20 0 EDADHO CN(C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418571818 446599282 /nfs/dbraw/zinc/59/92/82/446599282.db2.gz RZADTEWNUQRLQF-DOMZBBRYSA-N 1 3 326.391 1.271 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000433892176 446607987 /nfs/dbraw/zinc/60/79/87/446607987.db2.gz XJHSFBMIULAXHZ-UHFFFAOYSA-N 1 3 339.505 1.711 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683217 446646740 /nfs/dbraw/zinc/64/67/40/446646740.db2.gz JOLJFZZOGNUXHE-INDMIFKZSA-N 1 3 342.487 1.868 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418699946 446653096 /nfs/dbraw/zinc/65/30/96/446653096.db2.gz OFDNCYXSDGGWMH-BFYDXBDKSA-N 1 3 333.480 1.813 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376780879 446714787 /nfs/dbraw/zinc/71/47/87/446714787.db2.gz ZYXSBFWXWVBWEX-WCXIOVBPSA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000376780878 446715226 /nfs/dbraw/zinc/71/52/26/446715226.db2.gz ZYXSBFWXWVBWEX-QBPKDAKJSA-N 1 3 336.480 1.118 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000423875770 446736363 /nfs/dbraw/zinc/73/63/63/446736363.db2.gz CBWOSLUPUQWWHH-GOSISDBHSA-N 1 3 331.460 1.948 20 0 EDADHO CCN1CCCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000368266445 446748820 /nfs/dbraw/zinc/74/88/20/446748820.db2.gz MPXYBIKTQKFNGK-UHFFFAOYSA-N 1 3 349.479 1.259 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000418859290 446756427 /nfs/dbraw/zinc/75/64/27/446756427.db2.gz KPCFKKFWIQWHHY-IRXDYDNUSA-N 1 3 346.475 1.039 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000418862792 446760046 /nfs/dbraw/zinc/76/00/46/446760046.db2.gz OPFTVYVEOOQJOG-ZBFHGGJFSA-N 1 3 334.464 1.039 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418940167 446813327 /nfs/dbraw/zinc/81/33/27/446813327.db2.gz GNOXUTGOMJNSAI-RDJZCZTQSA-N 1 3 348.491 1.113 20 0 EDADHO CCCN(C)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018510 446825005 /nfs/dbraw/zinc/82/50/05/446825005.db2.gz JJURLNBZUJJEQQ-UHFFFAOYSA-N 1 3 332.492 1.438 20 0 EDADHO COCC[C@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H](N)C2)CC[NH2+]C1 ZINC000424041434 446830760 /nfs/dbraw/zinc/83/07/60/446830760.db2.gz TXLQMRUDGBYOOS-YXJHDRRASA-N 1 3 335.423 1.095 20 0 EDADHO Cn1cc(C(=O)NC[C@@H](N)c2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424078088 446841394 /nfs/dbraw/zinc/84/13/94/446841394.db2.gz PMCLEJIXVASSEA-GOEBONIOSA-N 1 3 327.432 1.317 20 0 EDADHO C[N@H+](CCCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C1CC1 ZINC000418985761 446848929 /nfs/dbraw/zinc/84/89/29/446848929.db2.gz FUBYDYTVSXGXPV-MRXNPFEDSA-N 1 3 338.496 1.001 20 0 EDADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@H](CN)C1CCCCC1)C1CC1 ZINC000418985761 446848935 /nfs/dbraw/zinc/84/89/35/446848935.db2.gz FUBYDYTVSXGXPV-MRXNPFEDSA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)C(C)(C)CN2CCOCC2)CC1 ZINC000412090777 446851529 /nfs/dbraw/zinc/85/15/29/446851529.db2.gz GRMFLVHYIRLLRE-UHFFFAOYSA-N 1 3 340.556 1.445 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)C(C)(C)CN2CCOCC2)CC1 ZINC000412090777 446851534 /nfs/dbraw/zinc/85/15/34/446851534.db2.gz GRMFLVHYIRLLRE-UHFFFAOYSA-N 1 3 340.556 1.445 20 0 EDADHO CO[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427000 446857359 /nfs/dbraw/zinc/85/73/59/446857359.db2.gz PRIWRNVGVIPPGC-ROUUACIJSA-N 1 3 333.476 1.906 20 0 EDADHO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371461573 446871540 /nfs/dbraw/zinc/87/15/40/446871540.db2.gz YVHFPOAWFNFZOQ-HNNXBMFYSA-N 1 3 330.476 1.386 20 0 EDADHO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000371461573 446871546 /nfs/dbraw/zinc/87/15/46/446871546.db2.gz YVHFPOAWFNFZOQ-HNNXBMFYSA-N 1 3 330.476 1.386 20 0 EDADHO C[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCN1C1CC[NH+](C)CC1 ZINC000371461573 446871551 /nfs/dbraw/zinc/87/15/51/446871551.db2.gz YVHFPOAWFNFZOQ-HNNXBMFYSA-N 1 3 330.476 1.386 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1(C)C ZINC000375615359 446926377 /nfs/dbraw/zinc/92/63/77/446926377.db2.gz YXXWMXJWANBRSL-UHFFFAOYSA-N 1 3 348.491 1.500 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CCN1Cc1ccccc1 ZINC000454967092 447015141 /nfs/dbraw/zinc/01/51/41/447015141.db2.gz WJETZXGFFLZOFL-XGXHKWSGSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CCN1Cc1ccccc1 ZINC000454967092 447015146 /nfs/dbraw/zinc/01/51/46/447015146.db2.gz WJETZXGFFLZOFL-XGXHKWSGSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979342 /nfs/dbraw/zinc/97/93/42/446979342.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 1 3 332.492 1.595 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979347 /nfs/dbraw/zinc/97/93/47/446979347.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 1 3 332.492 1.595 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057171 446999187 /nfs/dbraw/zinc/99/91/87/446999187.db2.gz FUABROYVTSBALF-INIZCTEOSA-N 1 3 325.497 1.903 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058318 447000185 /nfs/dbraw/zinc/00/01/85/447000185.db2.gz KAAJFMYFPNRTCW-INIZCTEOSA-N 1 3 348.466 1.535 20 0 EDADHO CNC(=O)c1ccc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000372367314 447050039 /nfs/dbraw/zinc/05/00/39/447050039.db2.gz GIDZRVSWTUXHBP-GOSISDBHSA-N 1 3 344.503 1.506 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000368720979 447065285 /nfs/dbraw/zinc/06/52/85/447065285.db2.gz CHXSKVSBRPKRHD-HZPDHXFCSA-N 1 3 340.512 1.347 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000375958408 447174657 /nfs/dbraw/zinc/17/46/57/447174657.db2.gz PYBKHQVYWIRPKO-QAPCUYQASA-N 1 3 339.443 1.424 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419478406 447210877 /nfs/dbraw/zinc/21/08/77/447210877.db2.gz JOLWKXQAPUOTCS-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419478406 447210884 /nfs/dbraw/zinc/21/08/84/447210884.db2.gz JOLWKXQAPUOTCS-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376041421 447229271 /nfs/dbraw/zinc/22/92/71/447229271.db2.gz GWYLJGUDRVIKKC-UHFFFAOYSA-N 1 3 336.484 2.003 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000376041421 447229277 /nfs/dbraw/zinc/22/92/77/447229277.db2.gz GWYLJGUDRVIKKC-UHFFFAOYSA-N 1 3 336.484 2.003 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425660664 447258375 /nfs/dbraw/zinc/25/83/75/447258375.db2.gz MBAVWEQVDNUOSV-IPMKNSEASA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425660664 447258381 /nfs/dbraw/zinc/25/83/81/447258381.db2.gz MBAVWEQVDNUOSV-IPMKNSEASA-N 1 3 344.503 1.895 20 0 EDADHO COC(=O)C[C@@H](C)CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000377645340 447268398 /nfs/dbraw/zinc/26/83/98/447268398.db2.gz IDYZYAMCQVRBOE-AWEZNQCLSA-N 1 3 339.480 1.251 20 0 EDADHO CC[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390906582 447506773 /nfs/dbraw/zinc/50/67/73/447506773.db2.gz USXVKTJNUMXHPK-QUCCMNQESA-N 1 3 345.487 1.926 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000427275956 447573961 /nfs/dbraw/zinc/57/39/61/447573961.db2.gz RDHWLRFOEKCZTE-QGZVFWFLSA-N 1 3 331.460 1.259 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419991518 447532487 /nfs/dbraw/zinc/53/24/87/447532487.db2.gz DLJDGNJVIWOHLE-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO COC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398106477 447555843 /nfs/dbraw/zinc/55/58/43/447555843.db2.gz BNODITHIRSXEAS-WMZOPIPTSA-N 1 3 345.487 1.782 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C ZINC000420086835 447593384 /nfs/dbraw/zinc/59/33/84/447593384.db2.gz ZMXKYRTZMJDVIT-CABCVRRESA-N 1 3 338.496 1.094 20 0 EDADHO CC[C@@H]1CN(CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633655 447603992 /nfs/dbraw/zinc/60/39/92/447603992.db2.gz HBKAEOZBDDDVQI-QGZVFWFLSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838086 447694771 /nfs/dbraw/zinc/69/47/71/447694771.db2.gz ISNBHKKMNAMUJZ-NJAFHUGGSA-N 1 3 330.476 1.887 20 0 EDADHO [NH3+]CCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422701422 447720912 /nfs/dbraw/zinc/72/09/12/447720912.db2.gz BXSBQCQQXMRGFY-ZIAGYGMSSA-N 1 3 329.366 1.762 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714669 447725332 /nfs/dbraw/zinc/72/53/32/447725332.db2.gz RILHIEXXHBDDRC-CRAIPNDOSA-N 1 3 331.460 1.604 20 0 EDADHO COCCN(C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422719310 447728111 /nfs/dbraw/zinc/72/81/11/447728111.db2.gz YKJZZSCCNZPVBO-APWZRJJASA-N 1 3 335.492 1.731 20 0 EDADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820108 447758222 /nfs/dbraw/zinc/75/82/22/447758222.db2.gz OXSXZMHQTHVWDV-GBESFXJTSA-N 1 3 343.519 1.844 20 0 EDADHO CN(C)CCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894931 447770674 /nfs/dbraw/zinc/77/06/74/447770674.db2.gz DMXVPFGLOHWXPK-SLFFLAALSA-N 1 3 347.503 1.874 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)ccc1OCC(=O)N(C)C ZINC000422947585 447777687 /nfs/dbraw/zinc/77/76/87/447777687.db2.gz YMWOAVJUIPTNCN-JKSUJKDBSA-N 1 3 349.475 1.912 20 0 EDADHO CC(C)COC[C@H](O)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973893 447784523 /nfs/dbraw/zinc/78/45/23/447784523.db2.gz PVIKPJKYNAIFBS-AYBZRNKSSA-N 1 3 334.460 1.865 20 0 EDADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000423034111 447795674 /nfs/dbraw/zinc/79/56/74/447795674.db2.gz XIIHQWSWIALNTF-NJAFHUGGSA-N 1 3 332.492 1.006 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000423085146 447802506 /nfs/dbraw/zinc/80/25/06/447802506.db2.gz JSLCLJWARDEGBB-KZNAEPCWSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637485 447806230 /nfs/dbraw/zinc/80/62/30/447806230.db2.gz WQUUJEDEJSWFQT-WMZOPIPTSA-N 1 3 348.491 1.699 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000523005252 447867840 /nfs/dbraw/zinc/86/78/40/447867840.db2.gz MWIQTGMRHUIOLP-KRWDZBQOSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000523005252 447867844 /nfs/dbraw/zinc/86/78/44/447867844.db2.gz MWIQTGMRHUIOLP-KRWDZBQOSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH+]1CCC(CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000530571283 447917324 /nfs/dbraw/zinc/91/73/24/447917324.db2.gz FIFCFQLBWGKTRD-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258895 448014238 /nfs/dbraw/zinc/01/42/38/448014238.db2.gz FLQDEAUNDPEVKR-LSDHHAIUSA-N 1 3 329.485 1.536 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258895 448014240 /nfs/dbraw/zinc/01/42/40/448014240.db2.gz FLQDEAUNDPEVKR-LSDHHAIUSA-N 1 3 329.485 1.536 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258895 448014244 /nfs/dbraw/zinc/01/42/44/448014244.db2.gz FLQDEAUNDPEVKR-LSDHHAIUSA-N 1 3 329.485 1.536 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531050776 448008993 /nfs/dbraw/zinc/00/89/93/448008993.db2.gz SOOPJPVDRNRYTG-XLIONFOSSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531050776 448008999 /nfs/dbraw/zinc/00/89/99/448008999.db2.gz SOOPJPVDRNRYTG-XLIONFOSSA-N 1 3 345.487 1.614 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000530819344 447965540 /nfs/dbraw/zinc/96/55/40/447965540.db2.gz SYZWNLUAVIZPKI-UYAOXDASSA-N 1 3 343.471 1.319 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000530819344 447965546 /nfs/dbraw/zinc/96/55/46/447965546.db2.gz SYZWNLUAVIZPKI-UYAOXDASSA-N 1 3 343.471 1.319 20 0 EDADHO CN1CCC(O)(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497295464 448048600 /nfs/dbraw/zinc/04/86/00/448048600.db2.gz ARJDACGQPZWMON-YOEHRIQHSA-N 1 3 339.480 1.290 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)N(C)C1 ZINC000500495099 448089242 /nfs/dbraw/zinc/08/92/42/448089242.db2.gz RXMIRLVJDOMSSK-IKGGRYGDSA-N 1 3 340.512 1.467 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013525 448122647 /nfs/dbraw/zinc/12/26/47/448122647.db2.gz GKTFVKBRXZPUTN-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013525 448122653 /nfs/dbraw/zinc/12/26/53/448122653.db2.gz GKTFVKBRXZPUTN-PMPSAXMXSA-N 1 3 341.496 1.942 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000576730007 448128210 /nfs/dbraw/zinc/12/82/10/448128210.db2.gz TVZUYHYYDLIVSC-MRXNPFEDSA-N 1 3 331.464 1.597 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000514732450 448195873 /nfs/dbraw/zinc/19/58/73/448195873.db2.gz ILPNECIFCJLBTG-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000571826930 448212866 /nfs/dbraw/zinc/21/28/66/448212866.db2.gz DUYOCGXZSWHKLR-UHFFFAOYSA-N 1 3 343.475 1.497 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572000143 448258733 /nfs/dbraw/zinc/25/87/33/448258733.db2.gz NQBCNNYPPSAKTR-CVEARBPZSA-N 1 3 334.468 1.165 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572000143 448258741 /nfs/dbraw/zinc/25/87/41/448258741.db2.gz NQBCNNYPPSAKTR-CVEARBPZSA-N 1 3 334.468 1.165 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000515347738 448295459 /nfs/dbraw/zinc/29/54/59/448295459.db2.gz MIMLWZWLRQCDAH-XMTFNYHQSA-N 1 3 327.513 1.311 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000515347738 448295462 /nfs/dbraw/zinc/29/54/62/448295462.db2.gz MIMLWZWLRQCDAH-XMTFNYHQSA-N 1 3 327.513 1.311 20 0 EDADHO COC(=O)c1cc(CNCCC[N@@H+]2CCCN(C)CC2)n(C)c1C ZINC000591256799 448299262 /nfs/dbraw/zinc/29/92/62/448299262.db2.gz DQYHJSIVYWUQIC-UHFFFAOYSA-N 1 3 336.480 1.237 20 0 EDADHO COC(=O)c1cc(CNCCC[N@H+]2CCCN(C)CC2)n(C)c1C ZINC000591256799 448299267 /nfs/dbraw/zinc/29/92/67/448299267.db2.gz DQYHJSIVYWUQIC-UHFFFAOYSA-N 1 3 336.480 1.237 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)CCN1CCc2ccccc2C1 ZINC000572302609 448339640 /nfs/dbraw/zinc/33/96/40/448339640.db2.gz JUUGEVANEGSVAC-IBGZPJMESA-N 1 3 347.503 1.644 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000515619436 448335144 /nfs/dbraw/zinc/33/51/44/448335144.db2.gz IZRYTHPDFIDZHE-YOEHRIQHSA-N 1 3 330.476 1.512 20 0 EDADHO CCOC1CC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)(N2CCOCC2)C1 ZINC000577839754 448398082 /nfs/dbraw/zinc/39/80/82/448398082.db2.gz SGWSVLJEOVZHOW-IJAXVFOYSA-N 1 3 345.487 1.991 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccn(CCN(C)C)n1 ZINC000577960912 448426581 /nfs/dbraw/zinc/42/65/81/448426581.db2.gz CTNYTAOAVXLKGW-OAGGEKHMSA-N 1 3 335.496 1.541 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCCCO)CC2)CC1 ZINC000566458862 448480419 /nfs/dbraw/zinc/48/04/19/448480419.db2.gz WRHGDSMCYPRKQV-UHFFFAOYSA-N 1 3 325.497 1.462 20 0 EDADHO CN(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)C1CC([NH3+])C1 ZINC000584340692 448489278 /nfs/dbraw/zinc/48/92/78/448489278.db2.gz ANCUUHYUZQGUMW-UHFFFAOYSA-N 1 3 346.475 1.791 20 0 EDADHO [NH3+]C1CCC(OCC(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000578319003 448514976 /nfs/dbraw/zinc/51/49/76/448514976.db2.gz ZSBQIYGOXRWFRA-UHFFFAOYSA-N 1 3 345.487 1.838 20 0 EDADHO CCCN1CCC[C@H]1C[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000517026005 448526398 /nfs/dbraw/zinc/52/63/98/448526398.db2.gz XPEZGEVEFXLRTP-PMACEKPBSA-N 1 3 331.504 1.870 20 0 EDADHO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CCCN(C2CCC2)C1 ZINC000578354605 448527141 /nfs/dbraw/zinc/52/71/41/448527141.db2.gz PQEUQTSNJNIECL-ICBLQISZSA-N 1 3 348.491 1.750 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000566537169 448500978 /nfs/dbraw/zinc/50/09/78/448500978.db2.gz UQOKHECDRQSJKH-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000573215398 448570569 /nfs/dbraw/zinc/57/05/69/448570569.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 1 3 344.503 1.403 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000573215398 448570576 /nfs/dbraw/zinc/57/05/76/448570576.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 1 3 344.503 1.403 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000578402683 448535469 /nfs/dbraw/zinc/53/54/69/448535469.db2.gz FZWNEEVHLXPIKJ-OAHLLOKOSA-N 1 3 340.512 1.166 20 0 EDADHO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCN(C2CC2)C1 ZINC000538974579 448604080 /nfs/dbraw/zinc/60/40/80/448604080.db2.gz KSLMTXXXQGZPSE-INIZCTEOSA-N 1 3 343.475 1.834 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518009 448687714 /nfs/dbraw/zinc/68/77/14/448687714.db2.gz WCFOPGAEFRAKJA-BDXSIMOUSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@H](C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CN1CCCCC1 ZINC000518518009 448687720 /nfs/dbraw/zinc/68/77/20/448687720.db2.gz WCFOPGAEFRAKJA-BDXSIMOUSA-N 1 3 327.513 1.168 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000579149762 448728166 /nfs/dbraw/zinc/72/81/66/448728166.db2.gz KROYFCWYVYYLKY-RDJZCZTQSA-N 1 3 325.497 1.602 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000568734526 448910864 /nfs/dbraw/zinc/91/08/64/448910864.db2.gz BZJWHHKFOOGSMC-INIZCTEOSA-N 1 3 331.464 1.702 20 0 EDADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCCCN1CCN(C)CC1)CO2 ZINC000574607425 448913997 /nfs/dbraw/zinc/91/39/97/448913997.db2.gz JXWZSNQAWWFCIJ-QGZVFWFLSA-N 1 3 333.476 1.616 20 0 EDADHO C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCNC1 ZINC000574683613 448931648 /nfs/dbraw/zinc/93/16/48/448931648.db2.gz UUPDJOZZHCVTGH-GJZGRUSLSA-N 1 3 336.480 1.609 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC3(C)CC[NH2+]CC3)n2)CC1 ZINC000580940285 448961044 /nfs/dbraw/zinc/96/10/44/448961044.db2.gz KJAHHPCRUIAVKB-UHFFFAOYSA-N 1 3 334.468 1.661 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cccc2c1OC(F)(F)O2 ZINC000530215862 449084681 /nfs/dbraw/zinc/08/46/81/449084681.db2.gz JTUVTWDOMLFEOC-WCFLWFBJSA-N 1 3 328.359 1.893 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215862 449084684 /nfs/dbraw/zinc/08/46/84/449084684.db2.gz JTUVTWDOMLFEOC-WCFLWFBJSA-N 1 3 328.359 1.893 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(=O)OC)CC2)CC1 ZINC000590410718 449150394 /nfs/dbraw/zinc/15/03/94/449150394.db2.gz WRULAQJDHQKGPZ-UHFFFAOYSA-N 1 3 339.480 1.252 20 0 EDADHO CC(C)OC(=O)[C@@H](C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601964642 449249099 /nfs/dbraw/zinc/24/90/99/449249099.db2.gz KBDFBDGNYFRENF-QFBILLFUSA-N 1 3 334.460 1.801 20 0 EDADHO CC(C)OC(=O)[C@@H](C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964642 449249102 /nfs/dbraw/zinc/24/91/02/449249102.db2.gz KBDFBDGNYFRENF-QFBILLFUSA-N 1 3 334.460 1.801 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000595974109 449292663 /nfs/dbraw/zinc/29/26/63/449292663.db2.gz WPBFOTNVWRAOPK-LSDHHAIUSA-N 1 3 333.480 1.569 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]CC1 ZINC000600713316 449512508 /nfs/dbraw/zinc/51/25/08/449512508.db2.gz HQIIPBPOTONMLE-UKRRQHHQSA-N 1 3 337.464 1.051 20 0 EDADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000594494493 449557406 /nfs/dbraw/zinc/55/74/06/449557406.db2.gz BYJJREHNXFNZMB-QGZVFWFLSA-N 1 3 332.444 1.897 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000617504647 449650597 /nfs/dbraw/zinc/65/05/97/449650597.db2.gz DCFFFBQODUXMFI-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000617504647 449650600 /nfs/dbraw/zinc/65/06/00/449650600.db2.gz DCFFFBQODUXMFI-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2cnccc2c1 ZINC000617507174 449655171 /nfs/dbraw/zinc/65/51/71/449655171.db2.gz LNNHZXKNKMWPCK-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2cnccc2c1 ZINC000617507174 449655177 /nfs/dbraw/zinc/65/51/77/449655177.db2.gz LNNHZXKNKMWPCK-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000594975321 449826841 /nfs/dbraw/zinc/82/68/41/449826841.db2.gz QUWLTHCHWABBIX-BNEJOLLZSA-N 1 3 332.444 1.540 20 0 EDADHO C[C@]1(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877265 449922628 /nfs/dbraw/zinc/92/26/28/449922628.db2.gz RDAQALICLUQBPM-HKUYNNGSSA-N 1 3 330.476 1.950 20 0 EDADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000615271516 450036169 /nfs/dbraw/zinc/03/61/69/450036169.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000615271516 450036170 /nfs/dbraw/zinc/03/61/70/450036170.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 1 3 337.508 1.963 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3nccn3C)CC2)CC1 ZINC000620605665 450520716 /nfs/dbraw/zinc/52/07/16/450520716.db2.gz IHGHSUJLAAWTCS-HNNXBMFYSA-N 1 3 347.507 1.794 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C)[C@H]1C ZINC000620747006 450538280 /nfs/dbraw/zinc/53/82/80/450538280.db2.gz KFBBTOCRNMNBPU-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C)[C@@H]1C ZINC000620747006 450538281 /nfs/dbraw/zinc/53/82/81/450538281.db2.gz KFBBTOCRNMNBPU-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000621010795 450572848 /nfs/dbraw/zinc/57/28/48/450572848.db2.gz JMBDIAZDMAXJPC-KRWDZBQOSA-N 1 3 336.455 1.993 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000631709173 450726028 /nfs/dbraw/zinc/72/60/28/450726028.db2.gz JSUPGDGPEBKWSC-CQSZACIVSA-N 1 3 343.493 1.217 20 0 EDADHO COc1cc([C@H](C)NCCOCCC[NH3+])ccc1S(C)(=O)=O ZINC000629541639 450727055 /nfs/dbraw/zinc/72/70/55/450727055.db2.gz SINGUMJFYZOXLX-LBPRGKRZSA-N 1 3 330.450 1.115 20 0 EDADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000629555168 450733544 /nfs/dbraw/zinc/73/35/44/450733544.db2.gz YHVWTGJVFQVPMA-FQEVSTJZSA-N 1 3 346.519 1.245 20 0 EDADHO O[C@@H](CNCCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555168 450733548 /nfs/dbraw/zinc/73/35/48/450733548.db2.gz YHVWTGJVFQVPMA-FQEVSTJZSA-N 1 3 346.519 1.245 20 0 EDADHO O=C(CCCNC[C@@H](O)C[NH+]1CCCC1)N1Cc2ccccc2C1 ZINC000629562494 450737861 /nfs/dbraw/zinc/73/78/61/450737861.db2.gz NVYZKTKOBBTSHJ-GOSISDBHSA-N 1 3 331.460 1.355 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828296 450800667 /nfs/dbraw/zinc/80/06/67/450800667.db2.gz LCVNEZXYMOHIPQ-YUELXQCFSA-N 1 3 342.434 1.642 20 0 EDADHO [NH3+]C[C@@H]1Cc2ccccc2N(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000631893025 450852835 /nfs/dbraw/zinc/85/28/35/450852835.db2.gz DSEBLFOQVNXXJB-HNNXBMFYSA-N 1 3 342.487 1.367 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906213 450865073 /nfs/dbraw/zinc/86/50/73/450865073.db2.gz GYUTUGUZARUDJY-UHFFFAOYSA-N 1 3 329.510 1.266 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000631943023 450900481 /nfs/dbraw/zinc/90/04/81/450900481.db2.gz LFHCMYPGGNRJAD-HOTGVXAUSA-N 1 3 329.510 1.409 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626970897 451042427 /nfs/dbraw/zinc/04/24/27/451042427.db2.gz VVUIIIUZFYNJKF-NVXWUHKLSA-N 1 3 348.491 1.609 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635561112 451059178 /nfs/dbraw/zinc/05/91/78/451059178.db2.gz CMDJWLCNWVAPBY-GOSISDBHSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635561112 451059181 /nfs/dbraw/zinc/05/91/81/451059181.db2.gz CMDJWLCNWVAPBY-GOSISDBHSA-N 1 3 345.487 1.601 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000627013753 451078259 /nfs/dbraw/zinc/07/82/59/451078259.db2.gz RDHYPNJDENAGBX-SJLPKXTDSA-N 1 3 348.491 1.384 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000627161894 451156894 /nfs/dbraw/zinc/15/68/94/451156894.db2.gz ZZYLWRYPTQZKCL-UONOGXRCSA-N 1 3 333.436 1.062 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635745056 451214646 /nfs/dbraw/zinc/21/46/46/451214646.db2.gz TYBWKOJXCRWYCM-MRXNPFEDSA-N 1 3 331.460 1.924 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635745056 451214650 /nfs/dbraw/zinc/21/46/50/451214650.db2.gz TYBWKOJXCRWYCM-MRXNPFEDSA-N 1 3 331.460 1.924 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nc(C)n1 ZINC000640408477 451300768 /nfs/dbraw/zinc/30/07/68/451300768.db2.gz FYNGVFRYIMMGHK-INIZCTEOSA-N 1 3 348.495 1.973 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)nc(C)n1 ZINC000640408477 451300771 /nfs/dbraw/zinc/30/07/71/451300771.db2.gz FYNGVFRYIMMGHK-INIZCTEOSA-N 1 3 348.495 1.973 20 0 EDADHO NC1(c2noc(CC3([NH3+])CCN(Cc4ccccc4)CC3)n2)CCC1 ZINC000634555780 451405315 /nfs/dbraw/zinc/40/53/15/451405315.db2.gz VAOQTSURFPRFMA-UHFFFAOYSA-N 1 3 341.459 1.944 20 0 EDADHO COC[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCCN1 ZINC000638289906 451406154 /nfs/dbraw/zinc/40/61/54/451406154.db2.gz VYPIMSDPMUTQRI-LJQANCHMSA-N 1 3 346.475 1.573 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000630879702 451458840 /nfs/dbraw/zinc/45/88/40/451458840.db2.gz MFOWCCDDCIESQA-YYIAUSFCSA-N 1 3 325.497 1.674 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000630879702 451458844 /nfs/dbraw/zinc/45/88/44/451458844.db2.gz MFOWCCDDCIESQA-YYIAUSFCSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638367727 451464487 /nfs/dbraw/zinc/46/44/87/451464487.db2.gz GRGBRNOFSCAWJD-NEPJUHHUSA-N 1 3 333.436 1.159 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000638379786 451475225 /nfs/dbraw/zinc/47/52/25/451475225.db2.gz NJDBLVBWJNETFE-INIZCTEOSA-N 1 3 333.480 1.270 20 0 EDADHO C[C@](O)(C[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000634708370 451487248 /nfs/dbraw/zinc/48/72/48/451487248.db2.gz TVQGBIGSKFEXGQ-OKYOBFRVSA-N 1 3 340.508 1.256 20 0 EDADHO COC[C@]1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCCN1 ZINC000638419427 451503766 /nfs/dbraw/zinc/50/37/66/451503766.db2.gz RUCYSHMTNQBRDJ-AEFFLSMTSA-N 1 3 333.432 1.445 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCN2CCc3sccc3C2)CC1 ZINC000638407676 451495815 /nfs/dbraw/zinc/49/58/15/451495815.db2.gz HYMBUVAPXVHOSK-UHFFFAOYSA-N 1 3 337.533 1.931 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000638526776 451558361 /nfs/dbraw/zinc/55/83/61/451558361.db2.gz PSRSZZIUAYSIOF-IAGOWNOFSA-N 1 3 344.459 1.447 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3([NH3+])CCOCC3)cc2)CC1 ZINC000638539493 451568043 /nfs/dbraw/zinc/56/80/43/451568043.db2.gz ANKILCLEPQGIQJ-UHFFFAOYSA-N 1 3 346.475 1.066 20 0 EDADHO C[NH+](C)CCOc1cccc(CN[C@H]2CCCS(=O)(=O)CC2)c1 ZINC000634953544 451621585 /nfs/dbraw/zinc/62/15/85/451621585.db2.gz CZPMENPZKRJFEQ-INIZCTEOSA-N 1 3 340.489 1.684 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1(C)C ZINC000638670560 451641707 /nfs/dbraw/zinc/64/17/07/451641707.db2.gz FECBMJBPOYETIJ-YJBOKZPZSA-N 1 3 333.432 1.640 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000632914312 451647828 /nfs/dbraw/zinc/64/78/28/451647828.db2.gz KNYUWDPUGOASQI-HRCADAONSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638833999 451705199 /nfs/dbraw/zinc/70/51/99/451705199.db2.gz BYNFPGFUVQECDP-NJAFHUGGSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638833999 451705201 /nfs/dbraw/zinc/70/52/01/451705201.db2.gz BYNFPGFUVQECDP-NJAFHUGGSA-N 1 3 331.460 1.249 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCCC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000632961509 451670074 /nfs/dbraw/zinc/67/00/74/451670074.db2.gz SELKAKIAUSBQOE-CQSZACIVSA-N 1 3 334.468 1.804 20 0 EDADHO CCO[C@@H]1C[C@H](NCc2ccnc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000638902505 451726338 /nfs/dbraw/zinc/72/63/38/451726338.db2.gz OTPIXBIZEYKTEJ-YQVWRLOYSA-N 1 3 349.475 1.838 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000641041346 451740006 /nfs/dbraw/zinc/74/00/06/451740006.db2.gz BAIBTKWBOINNKE-NVXWUHKLSA-N 1 3 334.464 1.739 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000638949082 451742098 /nfs/dbraw/zinc/74/20/98/451742098.db2.gz XDYYTCWOLIOLOM-SZMVWBNQSA-N 1 3 330.476 1.927 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641173932 451769256 /nfs/dbraw/zinc/76/92/56/451769256.db2.gz HCAVMXBWUQBBTF-DLBZAZTESA-N 1 3 328.460 1.821 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000637264567 451773927 /nfs/dbraw/zinc/77/39/27/451773927.db2.gz LMTGMQHBWYFTAD-XHSDSOJGSA-N 1 3 342.553 1.938 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000637264567 451773930 /nfs/dbraw/zinc/77/39/30/451773930.db2.gz LMTGMQHBWYFTAD-XHSDSOJGSA-N 1 3 342.553 1.938 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641215187 451784628 /nfs/dbraw/zinc/78/46/28/451784628.db2.gz OSUOFQIMRZQFDW-WBVHZDCISA-N 1 3 331.464 1.817 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@H](N)C(C)(C)C)nn1 ZINC000641215187 451784631 /nfs/dbraw/zinc/78/46/31/451784631.db2.gz OSUOFQIMRZQFDW-WBVHZDCISA-N 1 3 331.464 1.817 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176927 451785732 /nfs/dbraw/zinc/78/57/32/451785732.db2.gz MTOWYWLMWHCEPP-INIZCTEOSA-N 1 3 337.489 1.498 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000642006588 451805055 /nfs/dbraw/zinc/80/50/55/451805055.db2.gz QQYNYSNSQVFRAZ-MSOLQXFVSA-N 1 3 346.475 1.281 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637476354 451893768 /nfs/dbraw/zinc/89/37/68/451893768.db2.gz NYPIETMJUZGFCB-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637476354 451893774 /nfs/dbraw/zinc/89/37/74/451893774.db2.gz NYPIETMJUZGFCB-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645414 451906476 /nfs/dbraw/zinc/90/64/76/451906476.db2.gz JZZROJODAJJALO-HOTGVXAUSA-N 1 3 338.496 1.016 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639553539 451941717 /nfs/dbraw/zinc/94/17/17/451941717.db2.gz GQGGFQSSVAZPEB-QGZVFWFLSA-N 1 3 332.496 1.256 20 0 EDADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646926124 451941917 /nfs/dbraw/zinc/94/19/17/451941917.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 1 3 328.460 1.456 20 0 EDADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000646926124 451941920 /nfs/dbraw/zinc/94/19/20/451941920.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 1 3 328.460 1.456 20 0 EDADHO COC[C@@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000649288790 451964812 /nfs/dbraw/zinc/96/48/12/451964812.db2.gz KARFJTSJOAXHJN-GOSISDBHSA-N 1 3 335.448 1.012 20 0 EDADHO CC[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)N1CCc2ccccc2C1 ZINC000649292899 451969984 /nfs/dbraw/zinc/96/99/84/451969984.db2.gz KUNUDXWFPYBWEF-ROUUACIJSA-N 1 3 331.460 1.176 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000649313023 451991324 /nfs/dbraw/zinc/99/13/24/451991324.db2.gz YSVNGSAKLRILEE-MRXNPFEDSA-N 1 3 349.500 1.452 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326541 452007235 /nfs/dbraw/zinc/00/72/35/452007235.db2.gz BJHXVSSOXRVBAD-DJIMGWMZSA-N 1 3 345.491 1.586 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000639664935 452008137 /nfs/dbraw/zinc/00/81/37/452008137.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 1 3 347.503 1.010 20 0 EDADHO C[C@@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000639664935 452008143 /nfs/dbraw/zinc/00/81/43/452008143.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 1 3 347.503 1.010 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000637666648 452008324 /nfs/dbraw/zinc/00/83/24/452008324.db2.gz FZGYDTFPMNSFGL-HNNXBMFYSA-N 1 3 348.495 1.955 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000637666648 452008330 /nfs/dbraw/zinc/00/83/30/452008330.db2.gz FZGYDTFPMNSFGL-HNNXBMFYSA-N 1 3 348.495 1.955 20 0 EDADHO O[C@H](COCc1ccco1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682303 452021534 /nfs/dbraw/zinc/02/15/34/452021534.db2.gz RXIMHPWUXGXMCL-KRWDZBQOSA-N 1 3 331.416 1.764 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856033 452030376 /nfs/dbraw/zinc/03/03/76/452030376.db2.gz HEQCFMKZCMWKOD-ZWKOTPCHSA-N 1 3 344.503 1.986 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856033 452030383 /nfs/dbraw/zinc/03/03/83/452030383.db2.gz HEQCFMKZCMWKOD-ZWKOTPCHSA-N 1 3 344.503 1.986 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c(C)c2)CC1 ZINC000649348882 452032363 /nfs/dbraw/zinc/03/23/63/452032363.db2.gz BYWYUYYYZAKYKV-OLMNPRSZSA-N 1 3 328.460 1.826 20 0 EDADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000647056312 452032933 /nfs/dbraw/zinc/03/29/33/452032933.db2.gz ZVHUKGNVJKAEJZ-DLBZAZTESA-N 1 3 328.460 1.552 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418223 452080006 /nfs/dbraw/zinc/08/00/06/452080006.db2.gz LCZMXBXGIYKPAE-BQFCYCMXSA-N 1 3 345.491 1.627 20 0 EDADHO CCCN1C[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)CC1=O ZINC000643294260 452120612 /nfs/dbraw/zinc/12/06/12/452120612.db2.gz UEZZDEGFVHYQEM-KRWDZBQOSA-N 1 3 333.476 1.975 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000643296937 452122132 /nfs/dbraw/zinc/12/21/32/452122132.db2.gz IQSTUBCXLOCJNW-OAHLLOKOSA-N 1 3 330.436 1.108 20 0 EDADHO COc1cc(OC)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1F ZINC000651952771 452188971 /nfs/dbraw/zinc/18/89/71/452188971.db2.gz BAXIYKHCVMMIKQ-UHFFFAOYSA-N 1 3 339.455 1.960 20 0 EDADHO COc1cc(OC)c(CNCCC[N@H+]2CCCN(C)CC2)cc1F ZINC000651952771 452188980 /nfs/dbraw/zinc/18/89/80/452188980.db2.gz BAXIYKHCVMMIKQ-UHFFFAOYSA-N 1 3 339.455 1.960 20 0 EDADHO O=c1[nH]c2ccc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2[nH]1 ZINC000641738194 452228183 /nfs/dbraw/zinc/22/81/83/452228183.db2.gz BOKCIANKWTVLGX-SJORKVTESA-N 1 3 330.432 1.736 20 0 EDADHO CNS(=O)(=O)Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000643454571 452231168 /nfs/dbraw/zinc/23/11/68/452231168.db2.gz IJSHWPXYRNFKGS-JKSUJKDBSA-N 1 3 325.478 1.343 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655470100 452263990 /nfs/dbraw/zinc/26/39/90/452263990.db2.gz JSNQEDDVGWWJEQ-PKOBYXMFSA-N 1 3 328.460 1.804 20 0 EDADHO CN1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659441504 452288342 /nfs/dbraw/zinc/28/83/42/452288342.db2.gz TZQPHHSGVLPCKK-BRWVUGGUSA-N 1 3 334.439 1.665 20 0 EDADHO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC000641808384 452289430 /nfs/dbraw/zinc/28/94/30/452289430.db2.gz NCTRNVHKTMPMFQ-JFRXWTBNSA-N 1 3 346.519 1.853 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N(C)C1CC1 ZINC000659450515 452300533 /nfs/dbraw/zinc/30/05/33/452300533.db2.gz BYIIMDXATUWSBO-BMGDILEWSA-N 1 3 330.476 1.914 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119553 452314866 /nfs/dbraw/zinc/31/48/66/452314866.db2.gz KMPLZOUQABEZIP-KZNAEPCWSA-N 1 3 346.475 1.266 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CN1Cc1ccccc1 ZINC000659468528 452325347 /nfs/dbraw/zinc/32/53/47/452325347.db2.gz BPPYFTXTYMLLLZ-BBPFYFEFSA-N 1 3 328.460 1.782 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC2(C1)CCOCC2 ZINC000665759351 452325671 /nfs/dbraw/zinc/32/56/71/452325671.db2.gz DDOVSFNKRABQKH-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC2(C1)CCOCC2 ZINC000665759351 452325679 /nfs/dbraw/zinc/32/56/79/452325679.db2.gz DDOVSFNKRABQKH-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000665760639 452333249 /nfs/dbraw/zinc/33/32/49/452333249.db2.gz MAIWFZYVPPDQCH-YESZJQIVSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000665760639 452333256 /nfs/dbraw/zinc/33/32/56/452333256.db2.gz MAIWFZYVPPDQCH-YESZJQIVSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000665760929 452335673 /nfs/dbraw/zinc/33/56/73/452335673.db2.gz SMBWVVJLKQDPRE-ULQDDVLXSA-N 1 3 340.512 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000665760929 452335686 /nfs/dbraw/zinc/33/56/86/452335686.db2.gz SMBWVVJLKQDPRE-ULQDDVLXSA-N 1 3 340.512 1.326 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000665760886 452335830 /nfs/dbraw/zinc/33/58/30/452335830.db2.gz REVXUMYSAUTWKP-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000665760886 452335839 /nfs/dbraw/zinc/33/58/39/452335839.db2.gz REVXUMYSAUTWKP-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144692 452337973 /nfs/dbraw/zinc/33/79/73/452337973.db2.gz OONVPBPTHKJWLY-ZOBUZTSGSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481591 452340893 /nfs/dbraw/zinc/34/08/93/452340893.db2.gz JAGWKUPIRHWNTA-HCMQPCSISA-N 1 3 328.460 1.640 20 0 EDADHO CC1CC[NH+](CCCNC(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638056192 452342083 /nfs/dbraw/zinc/34/20/83/452342083.db2.gz WXHUPEDZTUAWAP-LJQANCHMSA-N 1 3 346.519 1.684 20 0 EDADHO C[C@@H](CO)C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665764049 452347325 /nfs/dbraw/zinc/34/73/25/452347325.db2.gz SGKFMNBOFYYWHF-HOTGVXAUSA-N 1 3 342.528 1.308 20 0 EDADHO C[C@@H](CO)C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665764049 452347331 /nfs/dbraw/zinc/34/73/31/452347331.db2.gz SGKFMNBOFYYWHF-HOTGVXAUSA-N 1 3 342.528 1.308 20 0 EDADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638058902 452348617 /nfs/dbraw/zinc/34/86/17/452348617.db2.gz CNRAXKMFNVNROO-SFHVURJKSA-N 1 3 332.492 1.388 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657594000 452359717 /nfs/dbraw/zinc/35/97/17/452359717.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 1 3 329.488 1.968 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638071240 452375896 /nfs/dbraw/zinc/37/58/96/452375896.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638071240 452375904 /nfs/dbraw/zinc/37/59/04/452375904.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 1 3 330.476 1.189 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075395 452385513 /nfs/dbraw/zinc/38/55/13/452385513.db2.gz QVMMECHEGXJXBH-SJLPKXTDSA-N 1 3 332.492 1.294 20 0 EDADHO COC[C@]1(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077408 452389860 /nfs/dbraw/zinc/38/98/60/452389860.db2.gz SBLZLZSZXGDJPE-BQFCYCMXSA-N 1 3 341.496 1.151 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484294 452455322 /nfs/dbraw/zinc/45/53/22/452455322.db2.gz DBIRJKZAZDBRBU-QGZVFWFLSA-N 1 3 330.476 1.761 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000659621405 452479393 /nfs/dbraw/zinc/47/93/93/452479393.db2.gz DMYQRIFUNHEBEV-GVDBMIGSSA-N 1 3 339.528 1.027 20 0 EDADHO c1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)n(-c2ccncc2)n1 ZINC000657751820 452499758 /nfs/dbraw/zinc/49/97/58/452499758.db2.gz LBHQYTZIERLYKJ-GOSISDBHSA-N 1 3 327.432 1.610 20 0 EDADHO c1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)n(-c2ccncc2)n1 ZINC000657751820 452499766 /nfs/dbraw/zinc/49/97/66/452499766.db2.gz LBHQYTZIERLYKJ-GOSISDBHSA-N 1 3 327.432 1.610 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345523 452520471 /nfs/dbraw/zinc/52/04/71/452520471.db2.gz DFWJENRLFSVJKR-IGKNDFSCSA-N 1 3 337.508 1.709 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655717028 452535286 /nfs/dbraw/zinc/53/52/86/452535286.db2.gz SQAJIVQFYKBMKT-IBGZPJMESA-N 1 3 338.540 1.247 20 0 EDADHO COc1ccc(CNC(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cc1OC ZINC000652359339 452538784 /nfs/dbraw/zinc/53/87/84/452538784.db2.gz GZNGHLWLIKYWEU-AWEZNQCLSA-N 1 3 349.475 1.769 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000663849597 452575759 /nfs/dbraw/zinc/57/57/59/452575759.db2.gz KZAAZSQZWYKXNZ-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)ccn1 ZINC000657863002 452576227 /nfs/dbraw/zinc/57/62/27/452576227.db2.gz HJJLNOIPCCZASY-QGZVFWFLSA-N 1 3 330.476 1.895 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849375 452576875 /nfs/dbraw/zinc/57/68/75/452576875.db2.gz LDMFIGPCISJSSS-VQIMIIECSA-N 1 3 347.503 1.730 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000645621499 452616090 /nfs/dbraw/zinc/61/60/90/452616090.db2.gz FYWUHXQHFZSMNE-NVXWUHKLSA-N 1 3 344.459 1.158 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000645657835 452660234 /nfs/dbraw/zinc/66/02/34/452660234.db2.gz APYNDPAMIXNITG-ADKAHSJRSA-N 1 3 333.476 1.562 20 0 EDADHO NC[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000655920656 452683582 /nfs/dbraw/zinc/68/35/82/452683582.db2.gz LUXFTUPHAQYKDE-ZDUSSCGKSA-N 1 3 336.402 1.972 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930742 452700619 /nfs/dbraw/zinc/70/06/19/452700619.db2.gz UAUIHQZKXZEFMM-HOSYDEDBSA-N 1 3 336.358 1.898 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000654621686 452704360 /nfs/dbraw/zinc/70/43/60/452704360.db2.gz HXRRIVYRFXLGJM-DLBZAZTESA-N 1 3 340.512 1.469 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000655936236 452706472 /nfs/dbraw/zinc/70/64/72/452706472.db2.gz BAVCBOGCTMIWAK-CYBMUJFWSA-N 1 3 325.403 1.684 20 0 EDADHO CC1(C)CN[C@@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119179 452835350 /nfs/dbraw/zinc/83/53/50/452835350.db2.gz XGBNFLFWLQJHTD-GXTWGEPZSA-N 1 3 334.489 1.612 20 0 EDADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726531 452840841 /nfs/dbraw/zinc/84/08/41/452840841.db2.gz ULTXGCQYAOGOKL-ROUUACIJSA-N 1 3 343.475 1.930 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000648132434 452847059 /nfs/dbraw/zinc/84/70/59/452847059.db2.gz OTDGDKJAWYBZKE-GFCCVEGCSA-N 1 3 344.394 1.240 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CCN1C ZINC000658342503 452855711 /nfs/dbraw/zinc/85/57/11/452855711.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342503 452855717 /nfs/dbraw/zinc/85/57/17/452855717.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342503 452855731 /nfs/dbraw/zinc/85/57/31/452855731.db2.gz NUHYOLQFCKBJJG-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO CS(=O)(=O)NC[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662251033 452975409 /nfs/dbraw/zinc/97/54/09/452975409.db2.gz WLLDJURGFOUAQD-AWEZNQCLSA-N 1 3 337.489 1.094 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662293775 453016890 /nfs/dbraw/zinc/01/68/90/453016890.db2.gz SZLIMPKJBYSHLR-QGZVFWFLSA-N 1 3 336.524 1.299 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000662337067 453053032 /nfs/dbraw/zinc/05/30/32/453053032.db2.gz JAFUGIFZAZJANY-INIZCTEOSA-N 1 3 326.448 1.594 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000646100177 453101784 /nfs/dbraw/zinc/10/17/84/453101784.db2.gz PAXNWQURYUODTQ-INIZCTEOSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000664467838 453119415 /nfs/dbraw/zinc/11/94/15/453119415.db2.gz BHNUBDTXOZOYRP-ZFWWWQNUSA-N 1 3 336.484 1.358 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000664467838 453119426 /nfs/dbraw/zinc/11/94/26/453119426.db2.gz BHNUBDTXOZOYRP-ZFWWWQNUSA-N 1 3 336.484 1.358 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662463314 453173306 /nfs/dbraw/zinc/17/33/06/453173306.db2.gz YDRCICNTKKZWDY-IEBWSBKVSA-N 1 3 342.487 1.459 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662463314 453173311 /nfs/dbraw/zinc/17/33/11/453173311.db2.gz YDRCICNTKKZWDY-IEBWSBKVSA-N 1 3 342.487 1.459 20 0 EDADHO [NH3+][C@@H](Cc1cn(CCCN2CCSCC2)nn1)c1ccccc1 ZINC000656449908 453192104 /nfs/dbraw/zinc/19/21/04/453192104.db2.gz IZEMUFGHPAYFQM-KRWDZBQOSA-N 1 3 331.489 1.960 20 0 EDADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CCNC2 ZINC000662526607 453246924 /nfs/dbraw/zinc/24/69/24/453246924.db2.gz AZURZWJTZYDUPC-AWEZNQCLSA-N 1 3 337.489 1.577 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](O)CC[C@H]3C)CC2)CC1 ZINC000655151723 453267283 /nfs/dbraw/zinc/26/72/83/453267283.db2.gz BJAPRWFJGMZPIN-QAPCUYQASA-N 1 3 337.508 1.555 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106149 453286982 /nfs/dbraw/zinc/28/69/82/453286982.db2.gz VPZUYIGJJKWDNS-ZQIUZPCESA-N 1 3 335.473 1.237 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)c2cccc3c2CNC3)C[C@H]1c1cccc(F)c1 ZINC000662573812 453300059 /nfs/dbraw/zinc/30/00/59/453300059.db2.gz DHDVBXNZTFALSB-ZWKOTPCHSA-N 1 3 325.387 1.996 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCC[NH2+]CC3)ccc2oc1=O ZINC000653114634 453302644 /nfs/dbraw/zinc/30/26/44/453302644.db2.gz QCLGEKVNGUCAFE-CYBMUJFWSA-N 1 3 346.431 1.484 20 0 EDADHO CN(C)C1(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120811 453309974 /nfs/dbraw/zinc/30/99/74/453309974.db2.gz BGBALOMMXKKULQ-QZTJIDSGSA-N 1 3 327.472 1.732 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000648857536 453332559 /nfs/dbraw/zinc/33/25/59/453332559.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 1 3 331.460 1.210 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@H+]1C ZINC000648857536 453332569 /nfs/dbraw/zinc/33/25/69/453332569.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 1 3 331.460 1.210 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3CNCc4ccccc43)C2)C1 ZINC000653182954 453373994 /nfs/dbraw/zinc/37/39/94/453373994.db2.gz ZOOIEJJBCIGJDN-FPAYPSAMSA-N 1 3 343.471 1.618 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccsc1 ZINC000662680327 453399936 /nfs/dbraw/zinc/39/99/36/453399936.db2.gz VFTDIODMGWUJSK-RBSFLKMASA-N 1 3 325.478 1.611 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680848 453400320 /nfs/dbraw/zinc/40/03/20/453400320.db2.gz MDPVDIMLASDZDS-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651256279 453402121 /nfs/dbraw/zinc/40/21/21/453402121.db2.gz DLMCQVVOZIPVSI-KSZLIROESA-N 1 3 340.475 1.785 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651256279 453402134 /nfs/dbraw/zinc/40/21/34/453402134.db2.gz DLMCQVVOZIPVSI-KSZLIROESA-N 1 3 340.475 1.785 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000662687129 453408914 /nfs/dbraw/zinc/40/89/14/453408914.db2.gz UBCQKTQVRUCPHF-SUMWQHHRSA-N 1 3 341.415 1.400 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1Cl ZINC000662693689 453413509 /nfs/dbraw/zinc/41/35/09/453413509.db2.gz LJQNYKPTFAEFGU-DOMZBBRYSA-N 1 3 341.839 1.583 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662699625 453420762 /nfs/dbraw/zinc/42/07/62/453420762.db2.gz CYEQYOBOSKOUCX-CALCHBBNSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662699625 453420768 /nfs/dbraw/zinc/42/07/68/453420768.db2.gz CYEQYOBOSKOUCX-CALCHBBNSA-N 1 3 348.535 1.678 20 0 EDADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](N2CCCCC2)C1 ZINC000662718373 453441783 /nfs/dbraw/zinc/44/17/83/453441783.db2.gz NFLYOEDGKUHPRM-HOTGVXAUSA-N 1 3 346.479 1.293 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655443969 453532219 /nfs/dbraw/zinc/53/22/19/453532219.db2.gz FMXWCVNQWVIWDJ-HKUYNNGSSA-N 1 3 331.460 1.633 20 0 EDADHO CNCc1cccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659019072 453584062 /nfs/dbraw/zinc/58/40/62/453584062.db2.gz MSVOOKNSMGAJEZ-KRWDZBQOSA-N 1 3 334.464 1.981 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660827736 453591586 /nfs/dbraw/zinc/59/15/86/453591586.db2.gz SSLPBAAGGPIFGG-YOEHRIQHSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN([C@H]2CCOC2)CC1 ZINC000660827736 453591589 /nfs/dbraw/zinc/59/15/89/453591589.db2.gz SSLPBAAGGPIFGG-YOEHRIQHSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC000665291158 453638633 /nfs/dbraw/zinc/63/86/33/453638633.db2.gz VPKKEIZHCNGMRL-XJKSGUPXSA-N 1 3 333.480 1.774 20 0 EDADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744290 /nfs/dbraw/zinc/74/42/90/453744290.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744293 /nfs/dbraw/zinc/74/42/93/453744293.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 1 3 338.496 1.100 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556555 453749225 /nfs/dbraw/zinc/74/92/25/453749225.db2.gz ZKTXNMDGAYSTOE-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556555 453749227 /nfs/dbraw/zinc/74/92/27/453749227.db2.gz ZKTXNMDGAYSTOE-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490292 453809161 /nfs/dbraw/zinc/80/91/61/453809161.db2.gz SEKBUNBISJXAIJ-UHFFFAOYSA-N 1 3 329.400 1.309 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000663496227 453810223 /nfs/dbraw/zinc/81/02/23/453810223.db2.gz DVBIZHORDXYGAL-CXAGYDPISA-N 1 3 336.505 1.507 20 0 EDADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3nc4c(s3)CNCC4)CC2)C1 ZINC000663495806 453810258 /nfs/dbraw/zinc/81/02/58/453810258.db2.gz BDAGEKHLTVUERU-DZGCQCFKSA-N 1 3 336.505 1.507 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000430871487 486895885 /nfs/dbraw/zinc/89/58/85/486895885.db2.gz XUGFVXAKUDQXPA-HYVNUMGLSA-N 1 3 344.459 1.450 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640687 487073700 /nfs/dbraw/zinc/07/37/00/487073700.db2.gz JTFKPAFEXKCTTQ-QWFCFKBJSA-N 1 3 343.471 1.366 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640687 487073705 /nfs/dbraw/zinc/07/37/05/487073705.db2.gz JTFKPAFEXKCTTQ-QWFCFKBJSA-N 1 3 343.471 1.366 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)Nc2cnccc2N2CCN(C)CC2)CC1 ZINC000673646526 487075706 /nfs/dbraw/zinc/07/57/06/487075706.db2.gz MHFWMOJYPGCNLW-UHFFFAOYSA-N 1 3 345.491 1.892 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCSC1 ZINC000673982372 487176290 /nfs/dbraw/zinc/17/62/90/487176290.db2.gz LSRKYBMTGGKHGM-KRWDZBQOSA-N 1 3 349.504 1.351 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2n[nH]c3ccccc23)CC1 ZINC000678218392 487267530 /nfs/dbraw/zinc/26/75/30/487267530.db2.gz QGLCYVSJMBFBJZ-UHFFFAOYSA-N 1 3 329.448 1.453 20 0 EDADHO CN1CCC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505772 487322185 /nfs/dbraw/zinc/32/21/85/487322185.db2.gz CMJUWAKCXMQTCV-INIZCTEOSA-N 1 3 331.464 1.691 20 0 EDADHO C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678602546 487340947 /nfs/dbraw/zinc/34/09/47/487340947.db2.gz YPYOUBGHXMUJRM-TXPKVOOTSA-N 1 3 335.492 1.997 20 0 EDADHO COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCCN(C)C2)c1 ZINC000682848806 487421832 /nfs/dbraw/zinc/42/18/32/487421832.db2.gz FCBRCDOZZXEWKA-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO CC[C@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC[C@H]1[NH3+] ZINC000669547120 485537794 /nfs/dbraw/zinc/53/77/94/485537794.db2.gz FUKPWJKCWVIAJF-JKSUJKDBSA-N 1 3 349.479 1.291 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561107 485569211 /nfs/dbraw/zinc/56/92/11/485569211.db2.gz JPUQDRHWAUANON-AHCXZYCDSA-N 1 3 330.476 1.947 20 0 EDADHO CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CCN(CC)C1 ZINC000668347786 485614448 /nfs/dbraw/zinc/61/44/48/485614448.db2.gz DWBOZCBVQIOVFQ-INIZCTEOSA-N 1 3 340.512 1.164 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000584524669 485870011 /nfs/dbraw/zinc/87/00/11/485870011.db2.gz BIPXASJXKMURNZ-SFHVURJKSA-N 1 3 335.492 1.350 20 0 EDADHO CC1([NH3+])CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000669312709 485959767 /nfs/dbraw/zinc/95/97/67/485959767.db2.gz BWBDPNRGUKUPKP-UHFFFAOYSA-N 1 3 330.476 1.958 20 0 EDADHO CC(C)N1CCN(CCC[NH+]2CCC(OCCCO)CC2)CC1 ZINC000669690570 486077520 /nfs/dbraw/zinc/07/75/20/486077520.db2.gz TWJPLFZHEGZINX-UHFFFAOYSA-N 1 3 327.513 1.266 20 0 EDADHO CN(CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809924 486219060 /nfs/dbraw/zinc/21/90/60/486219060.db2.gz YBMIRNTZGCDOIV-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CC1(C)CN(C2(CNC(=O)NCC3C[NH2+]C3)CCCCC2)CCO1 ZINC000669470724 486223285 /nfs/dbraw/zinc/22/32/85/486223285.db2.gz GWCAWWZTIYHKNC-UHFFFAOYSA-N 1 3 338.496 1.319 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000669496372 486270661 /nfs/dbraw/zinc/27/06/61/486270661.db2.gz GEOVEQPMQBMHOI-QGZVFWFLSA-N 1 3 330.476 1.527 20 0 EDADHO COC1CCN(CCNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000080059612 491170150 /nfs/dbraw/zinc/17/01/50/491170150.db2.gz CRTSPPHBGCYYFS-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000345278704 534898868 /nfs/dbraw/zinc/89/88/68/534898868.db2.gz MFAPODGUZKJRFU-INIZCTEOSA-N 1 3 334.464 1.513 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCCC[NH+]2CCCCCC2)C1(C)C ZINC000188032823 528156666 /nfs/dbraw/zinc/15/66/66/528156666.db2.gz CAKLAPNLYWEKFT-YJBOKZPZSA-N 1 3 325.497 1.901 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131994042 529079244 /nfs/dbraw/zinc/07/92/44/529079244.db2.gz AJNRFXKRRYTHMS-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000131994042 529079249 /nfs/dbraw/zinc/07/92/49/529079249.db2.gz AJNRFXKRRYTHMS-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154325646 529145017 /nfs/dbraw/zinc/14/50/17/529145017.db2.gz ZOVHCNZPQVZQCW-KRWDZBQOSA-N 1 3 342.491 1.946 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000154327696 529145045 /nfs/dbraw/zinc/14/50/45/529145045.db2.gz PAWUJUVTMULLSH-INIZCTEOSA-N 1 3 343.479 1.341 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)N[C@@H](C)C3)cc2)CC1 ZINC000153701527 529152916 /nfs/dbraw/zinc/15/29/16/529152916.db2.gz JYHJLZAUWUJVLV-HOTGVXAUSA-N 1 3 330.476 1.651 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccn1 ZINC000263847050 535592091 /nfs/dbraw/zinc/59/20/91/535592091.db2.gz XZADQJRDPCTLCV-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccn1 ZINC000263847050 535592095 /nfs/dbraw/zinc/59/20/95/535592095.db2.gz XZADQJRDPCTLCV-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658707 535720332 /nfs/dbraw/zinc/72/03/32/535720332.db2.gz WAWSENTVISFAGZ-DLBZAZTESA-N 1 3 330.476 1.890 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353423846 535777681 /nfs/dbraw/zinc/77/76/81/535777681.db2.gz FOSXZHSDMSBFLH-IBGZPJMESA-N 1 3 342.491 1.594 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000353077680 535915603 /nfs/dbraw/zinc/91/56/03/535915603.db2.gz DCPCJRNDSPVYGM-UHFFFAOYSA-N 1 3 348.491 1.863 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000261744327 536018514 /nfs/dbraw/zinc/01/85/14/536018514.db2.gz VGFKQEYBPDRAKT-INIZCTEOSA-N 1 3 325.478 1.416 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261897398 536047859 /nfs/dbraw/zinc/04/78/59/536047859.db2.gz AAIWCVKLQLBADM-UHFFFAOYSA-N 1 3 341.459 1.340 20 0 EDADHO COc1ccccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802878 537018176 /nfs/dbraw/zinc/01/81/76/537018176.db2.gz KORUEZSRHYEYKD-UHFFFAOYSA-N 1 3 345.487 1.913 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732779467 578727963 /nfs/dbraw/zinc/72/79/63/578727963.db2.gz SSFZUDWFUCYVDZ-INIZCTEOSA-N 1 3 333.480 1.256 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779467 578727964 /nfs/dbraw/zinc/72/79/64/578727964.db2.gz SSFZUDWFUCYVDZ-INIZCTEOSA-N 1 3 333.480 1.256 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779467 578727965 /nfs/dbraw/zinc/72/79/65/578727965.db2.gz SSFZUDWFUCYVDZ-INIZCTEOSA-N 1 3 333.480 1.256 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000734277310 578804539 /nfs/dbraw/zinc/80/45/39/578804539.db2.gz UBVVRKALJBQYLE-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000734277310 578804541 /nfs/dbraw/zinc/80/45/41/578804541.db2.gz UBVVRKALJBQYLE-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220353 580459028 /nfs/dbraw/zinc/45/90/28/580459028.db2.gz DVHZFYFDMBNBDB-HZPDHXFCSA-N 1 3 340.464 1.655 20 0 EDADHO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CC[NH+](C)CC1 ZINC000782184558 580568780 /nfs/dbraw/zinc/56/87/80/580568780.db2.gz TYCCTMQCKMXCLK-CYBMUJFWSA-N 1 3 325.478 1.669 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891865418 590662262 /nfs/dbraw/zinc/66/22/62/590662262.db2.gz OVSPWGBFGFFSRA-QWHCGFSZSA-N 1 3 332.439 1.651 20 0 EDADHO COC1CCC(C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)CC1 ZINC000893261379 590741624 /nfs/dbraw/zinc/74/16/24/590741624.db2.gz ZBOHCOHHNYGFCG-JCYILVPMSA-N 1 3 327.513 1.874 20 0 EDADHO O=S1CCC([NH2+]Cc2ccccc2CN2CCC[C@H]2CO)CC1 ZINC000893486954 590903489 /nfs/dbraw/zinc/90/34/89/590903489.db2.gz JBHNXTRHCKLQDN-OTQYULQBSA-N 1 3 336.501 1.644 20 0 EDADHO CCN(CC)CC(=O)N1CCN(c2cc(N)ncc2Cl)CC1 ZINC000892331758 590958130 /nfs/dbraw/zinc/95/81/30/590958130.db2.gz YIXOBLVPJIQHGM-UHFFFAOYSA-N 1 3 325.844 1.308 20 0 EDADHO CCN(CC)CC(=O)N1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000892331758 590958134 /nfs/dbraw/zinc/95/81/34/590958134.db2.gz YIXOBLVPJIQHGM-UHFFFAOYSA-N 1 3 325.844 1.308 20 0 EDADHO C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCN1c1ccncc1 ZINC000892453030 591033140 /nfs/dbraw/zinc/03/31/40/591033140.db2.gz VHFNMXXMIMNGNC-NXVRBGIVSA-N 1 3 329.448 1.668 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC2CC(S(C)(=O)=O)C2)cc1 ZINC000892611647 591095712 /nfs/dbraw/zinc/09/57/12/591095712.db2.gz YQGSIKNGSZTJNG-UHFFFAOYSA-N 1 3 326.462 1.292 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538102 591113218 /nfs/dbraw/zinc/11/32/18/591113218.db2.gz JVTDYUVUGBAJNE-OAHLLOKOSA-N 1 3 326.485 1.319 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1C ZINC000892780608 591173201 /nfs/dbraw/zinc/17/32/01/591173201.db2.gz SMIJMCKJRUIRCV-OAGGEKHMSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000892789079 591179049 /nfs/dbraw/zinc/17/90/49/591179049.db2.gz KRVNGYPDBQWHOU-RTBURBONSA-N 1 3 342.487 1.875 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892804435 591184250 /nfs/dbraw/zinc/18/42/50/591184250.db2.gz FNQKRDOPKYXMTR-QFBILLFUSA-N 1 3 342.487 1.828 20 0 EDADHO C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CCN(C)CC1 ZINC000891764486 591215694 /nfs/dbraw/zinc/21/56/94/591215694.db2.gz FHHNSZWJZNCHMZ-MAUKXSAKSA-N 1 3 330.476 1.896 20 0 EDADHO CCc1[nH]c(C[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1C(=O)OC ZINC000894175791 591217921 /nfs/dbraw/zinc/21/79/21/591217921.db2.gz LWIAARGTKAENLR-AWEZNQCLSA-N 1 3 336.480 1.479 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892944851 591233192 /nfs/dbraw/zinc/23/31/92/591233192.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 1 3 338.496 1.101 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000892944851 591233195 /nfs/dbraw/zinc/23/31/95/591233195.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 1 3 338.496 1.101 20 0 EDADHO F[C@@H]1CC2(CC[C@H]1[NH2+]C1CCN(C[C@H]3CCOC3)CC1)OCCO2 ZINC000893014356 591254573 /nfs/dbraw/zinc/25/45/73/591254573.db2.gz VXYKEVHIRYHRJK-DJIMGWMZSA-N 1 3 342.455 1.711 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895827570 591278071 /nfs/dbraw/zinc/27/80/71/591278071.db2.gz NEYXIJBQPJDZTB-UHFFFAOYSA-N 1 3 337.508 1.678 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000896258727 591400150 /nfs/dbraw/zinc/40/01/50/591400150.db2.gz FILRVRGRKDDONV-GOSISDBHSA-N 1 3 335.492 1.574 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894764313 591413768 /nfs/dbraw/zinc/41/37/68/591413768.db2.gz GZNSQTJPCBUQAX-QLFBSQMISA-N 1 3 347.450 1.389 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894764313 591413770 /nfs/dbraw/zinc/41/37/70/591413770.db2.gz GZNSQTJPCBUQAX-QLFBSQMISA-N 1 3 347.450 1.389 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NCCN1CC[C@H](C)C1 ZINC000897469796 591471886 /nfs/dbraw/zinc/47/18/86/591471886.db2.gz RBHBFSCIBVYTGG-INIZCTEOSA-N 1 3 340.512 1.328 20 0 EDADHO C[N@@H+]1CC[C@@H](NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695948 591621121 /nfs/dbraw/zinc/62/11/21/591621121.db2.gz WJPUEKSZBYCMFT-KDOFPFPSSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@H+]1CC[C@@H](NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695948 591621123 /nfs/dbraw/zinc/62/11/23/591621123.db2.gz WJPUEKSZBYCMFT-KDOFPFPSSA-N 1 3 341.496 1.821 20 0 EDADHO Nc1nc(N)nc(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000896838916 591628152 /nfs/dbraw/zinc/62/81/52/591628152.db2.gz UQXFNYISZXDNCV-UHFFFAOYSA-N 1 3 339.447 1.628 20 0 EDADHO C[NH+](C)CCN1CCN(C(=O)c2ccc(NC3=NCCC3)cc2)CC1 ZINC000900007134 591865059 /nfs/dbraw/zinc/86/50/59/591865059.db2.gz JDYZPZATFTYMCS-UHFFFAOYSA-N 1 3 343.475 1.610 20 0 EDADHO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(CCC(C)C)CC2)C1 ZINC000898348292 591881310 /nfs/dbraw/zinc/88/13/10/591881310.db2.gz KDWLXRHNLXPOQU-RDJZCZTQSA-N 1 3 341.496 1.536 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000900045116 591881590 /nfs/dbraw/zinc/88/15/90/591881590.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 1 3 345.487 1.568 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000900045116 591881593 /nfs/dbraw/zinc/88/15/93/591881593.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 1 3 345.487 1.568 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900299785 591980081 /nfs/dbraw/zinc/98/00/81/591980081.db2.gz JWCDWFJJVSGMJE-PKOBYXMFSA-N 1 3 333.476 1.122 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900299785 591980084 /nfs/dbraw/zinc/98/00/84/591980084.db2.gz JWCDWFJJVSGMJE-PKOBYXMFSA-N 1 3 333.476 1.122 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900339109 591989000 /nfs/dbraw/zinc/98/90/00/591989000.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900339109 591989001 /nfs/dbraw/zinc/98/90/01/591989001.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 1 3 325.497 1.460 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400232 591990559 /nfs/dbraw/zinc/99/05/59/591990559.db2.gz YXOKHBQWCLSERR-ROUUACIJSA-N 1 3 332.492 1.650 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NCCN2Cc3ccccc3OCC2=O)C1 ZINC000902402823 591991147 /nfs/dbraw/zinc/99/11/47/591991147.db2.gz FEDUCIRSLSJJQX-MRXNPFEDSA-N 1 3 331.460 1.775 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C[C@]1(O)CCCN(C)C1)CC(C)C ZINC000900685452 592093817 /nfs/dbraw/zinc/09/38/17/592093817.db2.gz TUACXXVKCAJOJX-SJLPKXTDSA-N 1 3 327.513 1.706 20 0 EDADHO C[C@@H]([NH2+]CCCc1nnnn1C)c1cccc(OCCN(C)C)c1 ZINC000903343923 592156060 /nfs/dbraw/zinc/15/60/60/592156060.db2.gz KZNWHKXIIZEUES-CQSZACIVSA-N 1 3 332.452 1.434 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000900885826 592156791 /nfs/dbraw/zinc/15/67/91/592156791.db2.gz MKCIHMKGAJHONK-SFHVURJKSA-N 1 3 338.540 1.593 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000903437149 592170038 /nfs/dbraw/zinc/17/00/38/592170038.db2.gz GDMANMQNZHDJLR-SCTDSRPQSA-N 1 3 342.487 1.537 20 0 EDADHO Cc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000900975512 592183268 /nfs/dbraw/zinc/18/32/68/592183268.db2.gz ODLXBKJOJCMLPR-GOSISDBHSA-N 1 3 349.479 1.244 20 0 EDADHO Cc1cc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)n(C2CCN(C)CC2)n1 ZINC000900975512 592183269 /nfs/dbraw/zinc/18/32/69/592183269.db2.gz ODLXBKJOJCMLPR-GOSISDBHSA-N 1 3 349.479 1.244 20 0 EDADHO CCO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903508464 592189465 /nfs/dbraw/zinc/18/94/65/592189465.db2.gz HTWOHNTWUKCITF-BMFZPTHFSA-N 1 3 349.479 1.568 20 0 EDADHO CCO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903508464 592189466 /nfs/dbraw/zinc/18/94/66/592189466.db2.gz HTWOHNTWUKCITF-BMFZPTHFSA-N 1 3 349.479 1.568 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646378 592232096 /nfs/dbraw/zinc/23/20/96/592232096.db2.gz REBHWUQYLZOACO-GJZGRUSLSA-N 1 3 346.475 1.568 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000906677119 592257791 /nfs/dbraw/zinc/25/77/91/592257791.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 1 3 338.540 1.498 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000906677119 592257795 /nfs/dbraw/zinc/25/77/95/592257795.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 1 3 338.540 1.498 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000901156852 592265217 /nfs/dbraw/zinc/26/52/17/592265217.db2.gz IEFJOSSTMVKVHD-WBVHZDCISA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000901156852 592265221 /nfs/dbraw/zinc/26/52/21/592265221.db2.gz IEFJOSSTMVKVHD-WBVHZDCISA-N 1 3 345.491 1.534 20 0 EDADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732458 592288480 /nfs/dbraw/zinc/28/84/80/592288480.db2.gz DWFJNRUHSNTCPN-GJYPPUQNSA-N 1 3 341.459 1.677 20 0 EDADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753570 592296763 /nfs/dbraw/zinc/29/67/63/592296763.db2.gz WKSMYIHECWNQNR-DAYGRLMNSA-N 1 3 331.464 1.630 20 0 EDADHO CCO[C@@H]1C[C@H](O)C12CCN(C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734452 592297739 /nfs/dbraw/zinc/29/77/39/592297739.db2.gz QXLJZWKFCAZLMU-IXDOHACOSA-N 1 3 338.492 1.397 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736448 592302638 /nfs/dbraw/zinc/30/26/38/592302638.db2.gz AEEUVJUBCUPTJU-MRXNPFEDSA-N 1 3 346.475 1.378 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC(C(=O)NCC(C)C)CC2)cnn1C ZINC000903878910 592360086 /nfs/dbraw/zinc/36/00/86/592360086.db2.gz NDVGGNWHWHJBRD-MRXNPFEDSA-N 1 3 349.523 1.330 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCCN(C[C@@H]3CCCO3)CC2)cnn1C ZINC000903880078 592360468 /nfs/dbraw/zinc/36/04/68/592360468.db2.gz NYCPRMPGNFAICL-HKUYNNGSSA-N 1 3 349.523 1.033 20 0 EDADHO CCOC(=O)CC1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903882994 592361602 /nfs/dbraw/zinc/36/16/02/592361602.db2.gz DITLYFIIVNNLMK-INIZCTEOSA-N 1 3 336.480 1.511 20 0 EDADHO C[C@@H]1CN(Cc2cccc(C[NH2+]C[C@H](N)CC(F)F)c2)CCO1 ZINC000903924668 592379113 /nfs/dbraw/zinc/37/91/13/592379113.db2.gz GOISJZWCYLEYJE-CZUORRHYSA-N 1 3 327.419 1.979 20 0 EDADHO CC(C)(C)OC(=O)N1CC(CCO)(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930217 592382347 /nfs/dbraw/zinc/38/23/47/592382347.db2.gz VCIAAOHGBHNGIM-GOOCMWNKSA-N 1 3 339.480 1.479 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCSC3(CCOCC3)C2)cnn1C ZINC000903916881 592389422 /nfs/dbraw/zinc/38/94/22/592389422.db2.gz VWZYGIJSRKUFLE-OAHLLOKOSA-N 1 3 338.521 1.444 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098493 592404352 /nfs/dbraw/zinc/40/43/52/592404352.db2.gz SWBPVCLQJLLHFO-MOPGFXCFSA-N 1 3 332.488 1.807 20 0 EDADHO CSC1(CNC(=O)[C@H]2CC[C@H]3CCCCN32)CC[NH+](C)CC1 ZINC000908286681 592425395 /nfs/dbraw/zinc/42/53/95/592425395.db2.gz YHSQDWUMEOOMHD-HUUCEWRRSA-N 1 3 325.522 1.947 20 0 EDADHO OCC1(C[C@H](O)CNC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000905176001 592456120 /nfs/dbraw/zinc/45/61/20/592456120.db2.gz PLFCHYBARRBDLH-BZSNNMDCSA-N 1 3 340.508 1.258 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000904299662 592471485 /nfs/dbraw/zinc/47/14/85/592471485.db2.gz LIFYPFJLQBKELG-OAHLLOKOSA-N 1 3 333.432 1.069 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334840 592508961 /nfs/dbraw/zinc/50/89/61/592508961.db2.gz DCRSTMSPDDAEBH-OAHLLOKOSA-N 1 3 345.553 1.806 20 0 EDADHO CCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905702357 592615354 /nfs/dbraw/zinc/61/53/54/592615354.db2.gz DZPAOQLLGOVGGA-IYBDPMFKSA-N 1 3 344.459 1.663 20 0 EDADHO CCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905702357 592615356 /nfs/dbraw/zinc/61/53/56/592615356.db2.gz DZPAOQLLGOVGGA-IYBDPMFKSA-N 1 3 344.459 1.663 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907575504 592717271 /nfs/dbraw/zinc/71/72/71/592717271.db2.gz SMDUYNUIAGTHQQ-HNNXBMFYSA-N 1 3 325.497 1.555 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000907575504 592717274 /nfs/dbraw/zinc/71/72/74/592717274.db2.gz SMDUYNUIAGTHQQ-HNNXBMFYSA-N 1 3 325.497 1.555 20 0 EDADHO CC[C@@H]1CN(CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212549 592771103 /nfs/dbraw/zinc/77/11/03/592771103.db2.gz OVFLWCAYDZVVMB-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145131 592991137 /nfs/dbraw/zinc/99/11/37/592991137.db2.gz BBNCMDWBZMUPCE-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145131 592991139 /nfs/dbraw/zinc/99/11/39/592991139.db2.gz BBNCMDWBZMUPCE-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145131 592991141 /nfs/dbraw/zinc/99/11/41/592991141.db2.gz BBNCMDWBZMUPCE-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145131 592991143 /nfs/dbraw/zinc/99/11/43/592991143.db2.gz BBNCMDWBZMUPCE-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO CN1CCCC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000911928887 593038328 /nfs/dbraw/zinc/03/83/28/593038328.db2.gz HRLYECYQAXYUKQ-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1nccs1 ZINC000912302656 593084421 /nfs/dbraw/zinc/08/44/21/593084421.db2.gz FYBZUTWKLBYXBO-ZDUSSCGKSA-N 1 3 326.510 1.809 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1nccs1 ZINC000912302656 593084422 /nfs/dbraw/zinc/08/44/22/593084422.db2.gz FYBZUTWKLBYXBO-ZDUSSCGKSA-N 1 3 326.510 1.809 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912592130 593106949 /nfs/dbraw/zinc/10/69/49/593106949.db2.gz WPKOSRGCERKQTH-MRXNPFEDSA-N 1 3 325.497 1.460 20 0 EDADHO C=C1c2ccccc2C(=O)N1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103212036 593220679 /nfs/dbraw/zinc/22/06/79/593220679.db2.gz WKAYASRYFRTSPI-UHFFFAOYSA-N 1 3 344.459 1.065 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808895941 593297078 /nfs/dbraw/zinc/29/70/78/593297078.db2.gz VJODORPEUZAXJY-UHFFFAOYSA-N 1 3 334.420 1.314 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000809672051 593353958 /nfs/dbraw/zinc/35/39/58/593353958.db2.gz KBPMKPOKQJALAC-BRWVUGGUSA-N 1 3 328.412 1.891 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C1C[C@H](c2ccccc2)OC1=O ZINC000809672051 593353960 /nfs/dbraw/zinc/35/39/60/593353960.db2.gz KBPMKPOKQJALAC-BRWVUGGUSA-N 1 3 328.412 1.891 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@](O)(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167231 593676697 /nfs/dbraw/zinc/67/66/97/593676697.db2.gz RPDVWFKBHKJLAQ-RVKKMQEKSA-N 1 3 339.480 1.290 20 0 EDADHO CCN1CCC(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000818975349 593731537 /nfs/dbraw/zinc/73/15/37/593731537.db2.gz XGCPGWYCTWHHDZ-UHFFFAOYSA-N 1 3 348.509 1.064 20 0 EDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984927 593732339 /nfs/dbraw/zinc/73/23/39/593732339.db2.gz NABFVBQAEXKXQT-JKSUJKDBSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984927 593732337 /nfs/dbraw/zinc/73/23/37/593732337.db2.gz NABFVBQAEXKXQT-JKSUJKDBSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984927 593732338 /nfs/dbraw/zinc/73/23/38/593732338.db2.gz NABFVBQAEXKXQT-JKSUJKDBSA-N 1 3 343.512 1.972 20 0 EDADHO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000819055632 593736034 /nfs/dbraw/zinc/73/60/34/593736034.db2.gz XJDINBYIAXFWKY-LPHOPBHVSA-N 1 3 335.467 1.926 20 0 EDADHO CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)c1 ZINC000820809114 593895032 /nfs/dbraw/zinc/89/50/32/593895032.db2.gz UJLRMOIQZFOCQF-AYHJJNSGSA-N 1 3 331.460 1.778 20 0 EDADHO CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000824825617 594080834 /nfs/dbraw/zinc/08/08/34/594080834.db2.gz CDCZCIACVFKLTI-YESZJQIVSA-N 1 3 327.513 1.826 20 0 EDADHO CC(C)[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000824825617 594080835 /nfs/dbraw/zinc/08/08/35/594080835.db2.gz CDCZCIACVFKLTI-YESZJQIVSA-N 1 3 327.513 1.826 20 0 EDADHO NCc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000829310798 594596196 /nfs/dbraw/zinc/59/61/96/594596196.db2.gz QPDVFUGVULRSBM-UHFFFAOYSA-N 1 3 331.460 1.910 20 0 EDADHO [NH3+][C@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000829452797 594616466 /nfs/dbraw/zinc/61/64/66/594616466.db2.gz WEAVEVUHSJCCNE-OAHLLOKOSA-N 1 3 325.522 1.982 20 0 EDADHO CN1CCN(C2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000827457259 594674004 /nfs/dbraw/zinc/67/40/04/594674004.db2.gz XUZURSDGYFGEPA-UHFFFAOYSA-N 1 3 344.503 1.600 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286244 594881675 /nfs/dbraw/zinc/88/16/75/594881675.db2.gz AEOFXVWZSJAADB-HNNXBMFYSA-N 1 3 336.436 1.256 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286245 594881696 /nfs/dbraw/zinc/88/16/96/594881696.db2.gz AEOFXVWZSJAADB-OAHLLOKOSA-N 1 3 336.436 1.256 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841310636 594883779 /nfs/dbraw/zinc/88/37/79/594883779.db2.gz GPZKCZQDFXGKML-JKSUJKDBSA-N 1 3 332.448 1.781 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841944174 594986745 /nfs/dbraw/zinc/98/67/45/594986745.db2.gz BLVPAPVYMNOWMQ-PKOBYXMFSA-N 1 3 346.475 1.017 20 0 EDADHO C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CCCCC1 ZINC000842015431 595003085 /nfs/dbraw/zinc/00/30/85/595003085.db2.gz LHJKTBMTHRCHBM-ZBFHGGJFSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)N1CCCCC1 ZINC000842015430 595003233 /nfs/dbraw/zinc/00/32/33/595003233.db2.gz LHJKTBMTHRCHBM-HOCLYGCPSA-N 1 3 338.496 1.001 20 0 EDADHO [NH3+]CCCCCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000846222838 595178164 /nfs/dbraw/zinc/17/81/64/595178164.db2.gz ZXXGOVNGJQTQDL-UHFFFAOYSA-N 1 3 343.475 1.972 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000843061274 595277016 /nfs/dbraw/zinc/27/70/16/595277016.db2.gz DJLGUILQKJZRBY-LSDHHAIUSA-N 1 3 332.366 1.785 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172081 595291007 /nfs/dbraw/zinc/29/10/07/595291007.db2.gz VHISJHCLGYCOKV-ROUUACIJSA-N 1 3 349.450 1.628 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nn3ccccc3=O)CC2)CC1 ZINC000848372751 595370298 /nfs/dbraw/zinc/37/02/98/595370298.db2.gz FBJNMIBULYWWLC-UHFFFAOYSA-N 1 3 332.448 1.115 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847311534 595393894 /nfs/dbraw/zinc/39/38/94/595393894.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847311534 595393895 /nfs/dbraw/zinc/39/38/95/595393895.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 1 3 336.480 1.166 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521361 595401781 /nfs/dbraw/zinc/40/17/81/595401781.db2.gz SDFFRMJJVASKFY-WMLDXEAASA-N 1 3 326.387 1.841 20 0 EDADHO COc1ccc(CCNC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000848999055 595473953 /nfs/dbraw/zinc/47/39/53/595473953.db2.gz NCIWTLRCXVNJPZ-NVXWUHKLSA-N 1 3 332.448 1.215 20 0 EDADHO [NH2+]=C(NCCn1cccn1)NC1CCN(Cc2ccccc2)CC1 ZINC000849068199 595477381 /nfs/dbraw/zinc/47/73/81/595477381.db2.gz NNHBMCCLPFXHOA-UHFFFAOYSA-N 1 3 326.448 1.662 20 0 EDADHO CC[NH+]1CCC(CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849508983 595554607 /nfs/dbraw/zinc/55/46/07/595554607.db2.gz KMZLHKSVACKLFX-ROUUACIJSA-N 1 3 347.507 1.304 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557268 595565685 /nfs/dbraw/zinc/56/56/85/595565685.db2.gz FZISBBFVWJVBFH-BDXSIMOUSA-N 1 3 347.507 1.444 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852864338 595584982 /nfs/dbraw/zinc/58/49/82/595584982.db2.gz SRNZENNFEQFFDG-ZDUSSCGKSA-N 1 3 331.420 1.235 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000855346728 595681678 /nfs/dbraw/zinc/68/16/78/595681678.db2.gz KEUSAVKORNXYAN-XJKSGUPXSA-N 1 3 341.883 1.762 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000855346728 595681681 /nfs/dbraw/zinc/68/16/81/595681681.db2.gz KEUSAVKORNXYAN-XJKSGUPXSA-N 1 3 341.883 1.762 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851670745 595878790 /nfs/dbraw/zinc/87/87/90/595878790.db2.gz YXCFNJXPWQEEOA-MSOLQXFVSA-N 1 3 343.475 1.297 20 0 EDADHO COC(=O)CN(C)C(=O)CCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213974 596006526 /nfs/dbraw/zinc/00/65/26/596006526.db2.gz CZIYEYYJTJYDMI-UHFFFAOYSA-N 1 3 335.448 1.202 20 0 EDADHO COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000859213974 596006529 /nfs/dbraw/zinc/00/65/29/596006529.db2.gz CZIYEYYJTJYDMI-UHFFFAOYSA-N 1 3 335.448 1.202 20 0 EDADHO COC(=O)CN(C)C(=O)CC[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000859213974 596006532 /nfs/dbraw/zinc/00/65/32/596006532.db2.gz CZIYEYYJTJYDMI-UHFFFAOYSA-N 1 3 335.448 1.202 20 0 EDADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000854334912 596039642 /nfs/dbraw/zinc/03/96/42/596039642.db2.gz URHRSOIMBXWRHY-WBVHZDCISA-N 1 3 339.524 1.658 20 0 EDADHO CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000854334912 596039644 /nfs/dbraw/zinc/03/96/44/596039644.db2.gz URHRSOIMBXWRHY-WBVHZDCISA-N 1 3 339.524 1.658 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000861602055 596043709 /nfs/dbraw/zinc/04/37/09/596043709.db2.gz FJQQJFFGNAHBCY-AWEZNQCLSA-N 1 3 334.464 1.132 20 0 EDADHO C[C@]1(CNC(=O)NCCOCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC000861629038 596051769 /nfs/dbraw/zinc/05/17/69/596051769.db2.gz CFULRMMTCPOTMD-LJQANCHMSA-N 1 3 348.491 1.563 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(N2CCCOCC2)CC1 ZINC000861984959 596170017 /nfs/dbraw/zinc/17/00/17/596170017.db2.gz OUGDQDHDBWUHQR-OAHLLOKOSA-N 1 3 325.497 1.866 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCN(C)CC1 ZINC000868626626 596251020 /nfs/dbraw/zinc/25/10/20/596251020.db2.gz KKJIEKNDWLDNPW-HUUCEWRRSA-N 1 3 340.537 1.549 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCN(C)CC1 ZINC000868626626 596251022 /nfs/dbraw/zinc/25/10/22/596251022.db2.gz KKJIEKNDWLDNPW-HUUCEWRRSA-N 1 3 340.537 1.549 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570773 596254632 /nfs/dbraw/zinc/25/46/32/596254632.db2.gz QGEHACKFZGCFDW-GDBMZVCRSA-N 1 3 345.553 1.934 20 0 EDADHO Cn1nnnc1CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000866663933 596284529 /nfs/dbraw/zinc/28/45/29/596284529.db2.gz PASKLSZAABRKGR-SJORKVTESA-N 1 3 328.464 1.425 20 0 EDADHO Cn1nnnc1CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000866663933 596284534 /nfs/dbraw/zinc/28/45/34/596284534.db2.gz PASKLSZAABRKGR-SJORKVTESA-N 1 3 328.464 1.425 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000870666319 596314236 /nfs/dbraw/zinc/31/42/36/596314236.db2.gz DSDURAASLJQWRR-PVAVHDDUSA-N 1 3 330.428 1.776 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1COC(=O)C1CCN(C)C1=O ZINC000870666319 596314237 /nfs/dbraw/zinc/31/42/37/596314237.db2.gz DSDURAASLJQWRR-PVAVHDDUSA-N 1 3 330.428 1.776 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000870866344 596382431 /nfs/dbraw/zinc/38/24/31/596382431.db2.gz ZGNFTJLZIULMLR-SHTZXODSSA-N 1 3 325.522 1.982 20 0 EDADHO CN1CCN(C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CC1 ZINC000870981984 596428579 /nfs/dbraw/zinc/42/85/79/596428579.db2.gz UQOCRMNXNVAOBX-UHFFFAOYSA-N 1 3 336.524 1.524 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000869236561 596456197 /nfs/dbraw/zinc/45/61/97/596456197.db2.gz CAZASGCRBIPNHK-RDJZCZTQSA-N 1 3 333.476 1.768 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1Cc2ccccc2O1 ZINC000869236561 596456198 /nfs/dbraw/zinc/45/61/98/596456198.db2.gz CAZASGCRBIPNHK-RDJZCZTQSA-N 1 3 333.476 1.768 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccn(C(C)(C)C)c1=O ZINC000865177273 596501468 /nfs/dbraw/zinc/50/14/68/596501468.db2.gz CTHFYZJZYVKMAV-UHFFFAOYSA-N 1 3 336.480 1.169 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000868106726 596688367 /nfs/dbraw/zinc/68/83/67/596688367.db2.gz IYFAGOTUGHPUNA-IRXDYDNUSA-N 1 3 332.448 1.985 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000868163621 596706867 /nfs/dbraw/zinc/70/68/67/596706867.db2.gz NUXVXBYBQMJVDL-HNNXBMFYSA-N 1 3 334.464 1.763 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@H]21 ZINC000868168781 596708825 /nfs/dbraw/zinc/70/88/25/596708825.db2.gz RXKUIDOHYDYEKN-CZUORRHYSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@H]21 ZINC000868168781 596708826 /nfs/dbraw/zinc/70/88/26/596708826.db2.gz RXKUIDOHYDYEKN-CZUORRHYSA-N 1 3 330.432 1.727 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234791 596739634 /nfs/dbraw/zinc/73/96/34/596739634.db2.gz AONCMEGMXSRTMW-DLBZAZTESA-N 1 3 346.475 1.486 20 0 EDADHO C[NH+]1CCC2(CC1)CN(c1nc(N)nc(N)n1)Cc1ccccc12 ZINC000866016879 596760001 /nfs/dbraw/zinc/76/00/01/596760001.db2.gz XPPKQTXYDSVNEM-UHFFFAOYSA-N 1 3 325.420 1.020 20 0 EDADHO CN(C)CCOc1cccc(-c2noc([C@@]3(C[NH3+])CCCOC3)n2)c1 ZINC000872175815 596821406 /nfs/dbraw/zinc/82/14/06/596821406.db2.gz SZKHVHTTZISNKO-GOSISDBHSA-N 1 3 346.431 1.684 20 0 EDADHO CC(C)(O)C[C@H](O)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000872202106 596833669 /nfs/dbraw/zinc/83/36/69/596833669.db2.gz UUSBLBWXERQVKV-KRWDZBQOSA-N 1 3 336.476 1.773 20 0 EDADHO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873229180 597234738 /nfs/dbraw/zinc/23/47/38/597234738.db2.gz OMDFFHDCHJVNTL-OAHLLOKOSA-N 1 3 344.459 1.200 20 0 EDADHO CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873229180 597234739 /nfs/dbraw/zinc/23/47/39/597234739.db2.gz OMDFFHDCHJVNTL-OAHLLOKOSA-N 1 3 344.459 1.200 20 0 EDADHO CC[C@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)c1cnn(C)c1 ZINC000873247788 597239504 /nfs/dbraw/zinc/23/95/04/597239504.db2.gz UJVYVHOVTRXIPI-KRWDZBQOSA-N 1 3 325.420 1.700 20 0 EDADHO O=C(CC[NH2+]CC1CC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725289 597307034 /nfs/dbraw/zinc/30/70/34/597307034.db2.gz IDSPQTVSAJGSEV-UHFFFAOYSA-N 1 3 331.460 1.972 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H](O)COc2cccc(F)c2)CC1 ZINC000876965941 597400389 /nfs/dbraw/zinc/40/03/89/597400389.db2.gz LPYARDPFVROTDY-INIZCTEOSA-N 1 3 340.439 1.390 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000877029065 597416066 /nfs/dbraw/zinc/41/60/66/597416066.db2.gz PORCYKZIBXKONQ-CYBMUJFWSA-N 1 3 328.844 1.128 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251995 597480262 /nfs/dbraw/zinc/48/02/62/597480262.db2.gz WUJSCJHRLJZIRL-SZMVWBNQSA-N 1 3 334.508 1.146 20 0 EDADHO CN1CC[NH+](C2CCN(Cc3ccccc3-n3cncn3)CC2)CC1 ZINC000877747563 597552769 /nfs/dbraw/zinc/55/27/69/597552769.db2.gz QXDHXUUNZLKMIA-UHFFFAOYSA-N 1 3 340.475 1.479 20 0 EDADHO CN1CCN(C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000879590552 597647515 /nfs/dbraw/zinc/64/75/15/597647515.db2.gz HDOHUFTVQZLPEK-GOSISDBHSA-N 1 3 333.476 1.138 20 0 EDADHO CN1CCN(C2CC[NH+](CCOCCOc3ccccc3)CC2)CC1 ZINC000879591159 597648399 /nfs/dbraw/zinc/64/83/99/597648399.db2.gz KOXOSEIJYIRYEZ-UHFFFAOYSA-N 1 3 347.503 1.794 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883510051 597782263 /nfs/dbraw/zinc/78/22/63/597782263.db2.gz HCJFREWMSSPCGG-VKJFTORMSA-N 1 3 343.475 1.784 20 0 EDADHO Cc1nc2nc(C)cc(N[C@H]3CCN(C4CC[NH+](C)CC4)C3)n2n1 ZINC000881978028 597824867 /nfs/dbraw/zinc/82/48/67/597824867.db2.gz WGBRNYUKNYOQJH-AWEZNQCLSA-N 1 3 329.452 1.322 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC000879485624 597932325 /nfs/dbraw/zinc/93/23/25/597932325.db2.gz FVLUHWMDIUTLLA-SFHVURJKSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC000879485624 597932327 /nfs/dbraw/zinc/93/23/27/597932327.db2.gz FVLUHWMDIUTLLA-SFHVURJKSA-N 1 3 336.524 1.378 20 0 EDADHO N[C@H](CC1CC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000884341625 598075595 /nfs/dbraw/zinc/07/55/95/598075595.db2.gz CAJLFVTUNJIENB-OAHLLOKOSA-N 1 3 332.448 1.037 20 0 EDADHO CCN1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316498 695353548 /nfs/dbraw/zinc/35/35/48/695353548.db2.gz VCWCWVPWWLZGKY-IRXDYDNUSA-N 1 3 333.480 1.858 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC000992926703 695457596 /nfs/dbraw/zinc/45/75/96/695457596.db2.gz QFTKVMDEYLMCQC-QXAKKESOSA-N 1 3 345.487 1.571 20 0 EDADHO CN(C)CCN(CCc1ccccc1)C(=S)NCCC[NH+](C)C ZINC000916015660 696611330 /nfs/dbraw/zinc/61/13/30/696611330.db2.gz CAPFIYWTMXPGJE-UHFFFAOYSA-N 1 3 336.549 1.919 20 0 EDADHO CC1CCN(C(=O)C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)CC1 ZINC000917067961 696907688 /nfs/dbraw/zinc/90/76/88/696907688.db2.gz FWBUEKYASGQXAW-SFHVURJKSA-N 1 3 337.508 1.414 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000921439225 697613483 /nfs/dbraw/zinc/61/34/83/697613483.db2.gz VHGMWKIEFPAGLW-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940115832 700231298 /nfs/dbraw/zinc/23/12/98/700231298.db2.gz YZDLOWDLJMVFEZ-QGZVFWFLSA-N 1 3 346.475 1.796 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475678 701551482 /nfs/dbraw/zinc/55/14/82/701551482.db2.gz UODOXTUFRRFGOQ-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)O1 ZINC001031764900 699049982 /nfs/dbraw/zinc/04/99/82/699049982.db2.gz OGWNMGCREMFBRD-RDJZCZTQSA-N 1 3 335.492 1.478 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1ccns1 ZINC000939257023 699434447 /nfs/dbraw/zinc/43/44/47/699434447.db2.gz IGIQHLMMMFQHPP-XJKSGUPXSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1nc(CNC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC000995165431 701610715 /nfs/dbraw/zinc/61/07/15/701610715.db2.gz DROBXBJIWQXBGB-LSDHHAIUSA-N 1 3 348.516 1.922 20 0 EDADHO Cn1ccnc1CNC[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003671 699888673 /nfs/dbraw/zinc/88/86/73/699888673.db2.gz BUVYQBUPEJHLPL-HOTGVXAUSA-N 1 3 345.491 1.423 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)ncn1 ZINC000940148668 700281418 /nfs/dbraw/zinc/28/14/18/700281418.db2.gz CHGWOFDUTUXTTA-KRWDZBQOSA-N 1 3 345.491 1.596 20 0 EDADHO C[NH+](C)[C@H](C(=O)N1CCC(C)(NCc2cscn2)CC1)C1CC1 ZINC000940149603 700282679 /nfs/dbraw/zinc/28/26/79/700282679.db2.gz MISZFPWPAGDZAR-HNNXBMFYSA-N 1 3 336.505 1.954 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000940308007 700489997 /nfs/dbraw/zinc/48/99/97/700489997.db2.gz ZTYXBKUWOZCBJI-DLBZAZTESA-N 1 3 339.524 1.970 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428228 700622459 /nfs/dbraw/zinc/62/24/59/700622459.db2.gz ZWQOMJVUJZOMBA-UHFFFAOYSA-N 1 3 345.491 1.470 20 0 EDADHO Cc1ncc(CN2CC[C@@H](NC(=O)CN3CCCC3)C(C)(C)C2)o1 ZINC000941215505 701401738 /nfs/dbraw/zinc/40/17/38/701401738.db2.gz VHWFGWAQWYCOBQ-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941215505 701401739 /nfs/dbraw/zinc/40/17/39/701401739.db2.gz VHWFGWAQWYCOBQ-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CCCC3)C2)CC1 ZINC000941345577 701480970 /nfs/dbraw/zinc/48/09/70/701480970.db2.gz XWEWMLJGPQWGQA-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976347 701959668 /nfs/dbraw/zinc/95/96/68/701959668.db2.gz JJUSWNCCBKJGHP-DNVCBOLYSA-N 1 3 345.487 1.483 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976347 701959670 /nfs/dbraw/zinc/95/96/70/701959670.db2.gz JJUSWNCCBKJGHP-DNVCBOLYSA-N 1 3 345.487 1.483 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445911 702033523 /nfs/dbraw/zinc/03/35/23/702033523.db2.gz QORAILDYQNHFCK-RHSMWYFYSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@H]1C ZINC000944445911 702033530 /nfs/dbraw/zinc/03/35/30/702033530.db2.gz QORAILDYQNHFCK-RHSMWYFYSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)cn1 ZINC000995833531 702110467 /nfs/dbraw/zinc/11/04/67/702110467.db2.gz QKZVZWSLLUPVTK-XYPHTWIQSA-N 1 3 345.491 1.452 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)cn1 ZINC000995833531 702110469 /nfs/dbraw/zinc/11/04/69/702110469.db2.gz QKZVZWSLLUPVTK-XYPHTWIQSA-N 1 3 345.491 1.452 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)N(C)C ZINC000995954123 702318532 /nfs/dbraw/zinc/31/85/32/702318532.db2.gz WHYXXPAMDSZZME-CVEARBPZSA-N 1 3 348.491 1.757 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070464 702481283 /nfs/dbraw/zinc/48/12/83/702481283.db2.gz MHEHYCFXJCOJPO-RXCRORICSA-N 1 3 347.503 1.476 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996356294 702733636 /nfs/dbraw/zinc/73/36/36/702733636.db2.gz RNOUFTBJGWEHOZ-ZDUSSCGKSA-N 1 3 326.391 1.824 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519611 702855331 /nfs/dbraw/zinc/85/53/31/702855331.db2.gz PGDDLTNYKKOEMT-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996519611 702855334 /nfs/dbraw/zinc/85/53/34/702855334.db2.gz PGDDLTNYKKOEMT-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N[C@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996602938 702912627 /nfs/dbraw/zinc/91/26/27/702912627.db2.gz IWYQQIUYQCRTIN-UHOFOFEASA-N 1 3 348.495 1.485 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(N[C@H](C)c3nnc(C)[nH]3)CC2)CC[N@H+]1C ZINC000996602938 702912630 /nfs/dbraw/zinc/91/26/30/702912630.db2.gz IWYQQIUYQCRTIN-UHOFOFEASA-N 1 3 348.495 1.485 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cc(C)ncn3)CC2)CC[N@@H+]1C ZINC000996604934 702914543 /nfs/dbraw/zinc/91/45/43/702914543.db2.gz XKKPFAUAVOKRCT-ZWKOTPCHSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cc(C)ncn3)CC2)CC[N@H+]1C ZINC000996604934 702914544 /nfs/dbraw/zinc/91/45/44/702914544.db2.gz XKKPFAUAVOKRCT-ZWKOTPCHSA-N 1 3 345.491 1.596 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC000996665655 702968070 /nfs/dbraw/zinc/96/80/70/702968070.db2.gz NYYMBONYSRNCEF-UHFFFAOYSA-N 1 3 334.439 1.786 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC000996673563 702968791 /nfs/dbraw/zinc/96/87/91/702968791.db2.gz VMHOWMDUPBHDSR-KRWDZBQOSA-N 1 3 337.508 1.866 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674716 702969954 /nfs/dbraw/zinc/96/99/54/702969954.db2.gz WATMCVPRWKCUCS-DLBZAZTESA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000996964665 703225481 /nfs/dbraw/zinc/22/54/81/703225481.db2.gz LRQPNWUVRNKURR-IAGOWNOFSA-N 1 3 325.497 1.722 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(CCCO)C1 ZINC001033081473 704137043 /nfs/dbraw/zinc/13/70/43/704137043.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(CCCO)C1 ZINC001033081473 704137044 /nfs/dbraw/zinc/13/70/44/704137044.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 1 3 337.508 1.556 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999303689 706797289 /nfs/dbraw/zinc/79/72/89/706797289.db2.gz IGOYQRUPGUVGEK-IRXDYDNUSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999303689 706797290 /nfs/dbraw/zinc/79/72/90/706797290.db2.gz IGOYQRUPGUVGEK-IRXDYDNUSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000997829696 704748347 /nfs/dbraw/zinc/74/83/47/704748347.db2.gz BOGVTRHQYIEOEE-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028227 704954755 /nfs/dbraw/zinc/95/47/55/704954755.db2.gz GCGQFMGRXDBTGW-MAUKXSAKSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028227 704954758 /nfs/dbraw/zinc/95/47/58/704954758.db2.gz GCGQFMGRXDBTGW-MAUKXSAKSA-N 1 3 333.476 1.571 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccc(OC)n2)CC1)N(C)C ZINC000998086833 705307149 /nfs/dbraw/zinc/30/71/49/705307149.db2.gz ULTARLIJAWAQPW-KRWDZBQOSA-N 1 3 348.491 1.759 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082082 705308310 /nfs/dbraw/zinc/30/83/10/705308310.db2.gz NNHQOZQBZLFGDJ-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998549157 705985291 /nfs/dbraw/zinc/98/52/91/705985291.db2.gz KOORYAKPFHFHQS-DAWZGUTISA-N 1 3 347.507 1.946 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC000998792642 706239262 /nfs/dbraw/zinc/23/92/62/706239262.db2.gz ZURLTOKIRCPPCG-RKHAHWSXSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ncn1 ZINC000998792642 706239265 /nfs/dbraw/zinc/23/92/65/706239265.db2.gz ZURLTOKIRCPPCG-RKHAHWSXSA-N 1 3 331.464 1.204 20 0 EDADHO Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364521 706878102 /nfs/dbraw/zinc/87/81/02/706878102.db2.gz NLVSUMGCLNVFTP-INIZCTEOSA-N 1 3 330.476 1.955 20 0 EDADHO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cn1 ZINC000999371020 706885212 /nfs/dbraw/zinc/88/52/12/706885212.db2.gz MPROKYNZFWAMON-FUHWJXTLSA-N 1 3 346.475 1.511 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC000999596951 707099994 /nfs/dbraw/zinc/09/99/94/707099994.db2.gz BQXLABJXUCELBW-UHFFFAOYSA-N 1 3 347.507 1.274 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cncc(F)c2)C1 ZINC000999681362 707166175 /nfs/dbraw/zinc/16/61/75/707166175.db2.gz FGKQFQDTMKXBAK-IGEOTXOUSA-N 1 3 334.439 1.642 20 0 EDADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cncc(F)c2)C1 ZINC000999681362 707166176 /nfs/dbraw/zinc/16/61/76/707166176.db2.gz FGKQFQDTMKXBAK-IGEOTXOUSA-N 1 3 334.439 1.642 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836297 707471771 /nfs/dbraw/zinc/47/17/71/707471771.db2.gz JGVYMVUOOIXOPU-IUDNXUCKSA-N 1 3 332.448 1.121 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836297 707471772 /nfs/dbraw/zinc/47/17/72/707471772.db2.gz JGVYMVUOOIXOPU-IUDNXUCKSA-N 1 3 332.448 1.121 20 0 EDADHO CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CCN(CCCO)C1 ZINC001033364410 707656960 /nfs/dbraw/zinc/65/69/60/707656960.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 1 3 337.508 1.699 20 0 EDADHO CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CCN(CCCO)C1 ZINC001033364410 707656963 /nfs/dbraw/zinc/65/69/63/707656963.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 1 3 337.508 1.699 20 0 EDADHO COC[C@H](C)N1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546855 708176036 /nfs/dbraw/zinc/17/60/36/708176036.db2.gz GZLMRBIMTALYNS-RDJZCZTQSA-N 1 3 325.497 1.674 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033661883 708475824 /nfs/dbraw/zinc/47/58/24/708475824.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 1 3 333.451 1.853 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001033661883 708475825 /nfs/dbraw/zinc/47/58/25/708475825.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 1 3 333.451 1.853 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(CCO)CC1 ZINC001005391787 708865435 /nfs/dbraw/zinc/86/54/35/708865435.db2.gz UTZHRXDZMOQJJT-INIZCTEOSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(CCO)CC1 ZINC001005391787 708865437 /nfs/dbraw/zinc/86/54/37/708865437.db2.gz UTZHRXDZMOQJJT-INIZCTEOSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CCOC)C1 ZINC001033855276 708917576 /nfs/dbraw/zinc/91/75/76/708917576.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 1 3 325.497 1.534 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CCOC)C1 ZINC001033855276 708917579 /nfs/dbraw/zinc/91/75/79/708917579.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 1 3 325.497 1.534 20 0 EDADHO CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907989 709040854 /nfs/dbraw/zinc/04/08/54/709040854.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 1 3 335.492 1.573 20 0 EDADHO CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033907989 709040857 /nfs/dbraw/zinc/04/08/57/709040857.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 1 3 335.492 1.573 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790865 709398607 /nfs/dbraw/zinc/39/86/07/709398607.db2.gz BDMXKADSSZULNK-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)(C(=O)NC1CCN(CCn2cncn2)CC1)[NH+]1CCCCC1 ZINC001002814760 709429700 /nfs/dbraw/zinc/42/97/00/709429700.db2.gz HLHBGJNZMHHHBS-UHFFFAOYSA-N 1 3 348.495 1.123 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001034217811 709574097 /nfs/dbraw/zinc/57/40/97/709574097.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 1 3 347.507 1.584 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001034217811 709574102 /nfs/dbraw/zinc/57/41/02/709574102.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 1 3 347.507 1.584 20 0 EDADHO O=C(N[C@H]1CCCCN(CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490747 710110207 /nfs/dbraw/zinc/11/02/07/710110207.db2.gz MEOYXWQWGJOCLP-INIZCTEOSA-N 1 3 335.492 1.622 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172771 /nfs/dbraw/zinc/17/27/71/710172771.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172775 /nfs/dbraw/zinc/17/27/75/710172775.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 1 3 345.487 1.601 20 0 EDADHO Cc1cc(C)n(CCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525458 710175436 /nfs/dbraw/zinc/17/54/36/710175436.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 1 3 347.507 1.422 20 0 EDADHO Cc1cc(C)n(CCN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001034525458 710175439 /nfs/dbraw/zinc/17/54/39/710175439.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 1 3 347.507 1.422 20 0 EDADHO CC(C)(C)CC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003334532 710258489 /nfs/dbraw/zinc/25/84/89/710258489.db2.gz WOSVUQOWXDIKKN-RYZJOYRSSA-N 1 3 349.519 1.866 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842944 710402334 /nfs/dbraw/zinc/40/23/34/710402334.db2.gz CCGTVVHOGKDQTC-KBAYOESNSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842944 710402336 /nfs/dbraw/zinc/40/23/36/710402336.db2.gz CCGTVVHOGKDQTC-KBAYOESNSA-N 1 3 331.460 1.252 20 0 EDADHO COCCN1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667316 710479913 /nfs/dbraw/zinc/47/99/13/710479913.db2.gz KVDUFVSZGFXYFI-MOPGFXCFSA-N 1 3 345.487 1.559 20 0 EDADHO COCCN1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667316 710479915 /nfs/dbraw/zinc/47/99/15/710479915.db2.gz KVDUFVSZGFXYFI-MOPGFXCFSA-N 1 3 345.487 1.559 20 0 EDADHO Cn1cc(CCN2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC001003739430 710520134 /nfs/dbraw/zinc/52/01/34/710520134.db2.gz DZCROQVXZWFSAO-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740786 711274747 /nfs/dbraw/zinc/27/47/47/711274747.db2.gz JBUQPEUSQCGWSF-XDAPHXNSSA-N 1 3 349.519 1.819 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC001004056229 711357448 /nfs/dbraw/zinc/35/74/48/711357448.db2.gz OPXUQHWLZIZBRS-KSSFIOAISA-N 1 3 332.448 1.268 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387806 711428578 /nfs/dbraw/zinc/42/85/78/711428578.db2.gz BAVGCSGFPHEBAJ-SMKXDYDZSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387806 711428580 /nfs/dbraw/zinc/42/85/80/711428580.db2.gz BAVGCSGFPHEBAJ-SMKXDYDZSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)c1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001034939889 711442777 /nfs/dbraw/zinc/44/27/77/711442777.db2.gz PZGNNCUDCSAHAW-RBSFLKMASA-N 1 3 348.495 1.349 20 0 EDADHO CC(C)c1nc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001034939889 711442780 /nfs/dbraw/zinc/44/27/80/711442780.db2.gz PZGNNCUDCSAHAW-RBSFLKMASA-N 1 3 348.495 1.349 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cccnc2)CC[N@@H+]1C ZINC001034940915 711445015 /nfs/dbraw/zinc/44/50/15/711445015.db2.gz HDLWGRDXGVIISY-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cccnc2)CC[N@H+]1C ZINC001034940915 711445017 /nfs/dbraw/zinc/44/50/17/711445017.db2.gz HDLWGRDXGVIISY-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2CC1)N(C)C ZINC000946642239 712126170 /nfs/dbraw/zinc/12/61/70/712126170.db2.gz AVDVDLOZTDFWOG-IXDOHACOSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]2CC1)N(C)C ZINC000946642239 712126171 /nfs/dbraw/zinc/12/61/71/712126171.db2.gz AVDVDLOZTDFWOG-IXDOHACOSA-N 1 3 348.491 1.994 20 0 EDADHO CN(C)[C@H](CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000416829782 282239646 /nfs/dbraw/zinc/23/96/46/282239646.db2.gz GEJMUOLAXUFSAM-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364574904 295693908 /nfs/dbraw/zinc/69/39/08/295693908.db2.gz AIZJVNLJJPMWCP-QUCCMNQESA-N 1 3 343.471 1.259 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000177995206 232053326 /nfs/dbraw/zinc/05/33/26/232053326.db2.gz GJYJVMRHQNIOPQ-UXLLHSPISA-N 1 3 339.505 1.592 20 0 EDADHO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCC1=Cc2ccccc2OC1 ZINC000102426559 219202913 /nfs/dbraw/zinc/20/29/13/219202913.db2.gz XWZKDOTUSIMTJI-SFHVURJKSA-N 1 3 343.471 1.995 20 0 EDADHO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCC1=Cc2ccccc2OC1 ZINC000102426559 219202916 /nfs/dbraw/zinc/20/29/16/219202916.db2.gz XWZKDOTUSIMTJI-SFHVURJKSA-N 1 3 343.471 1.995 20 0 EDADHO c1cnc(N2CCN(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970702 306281392 /nfs/dbraw/zinc/28/13/92/306281392.db2.gz TXQGYLDFGGCULA-KSZLIROESA-N 1 3 344.507 1.109 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000342975698 539768357 /nfs/dbraw/zinc/76/83/57/539768357.db2.gz JEAAMMMRWATVNX-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO COCCCCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051301051 138134928 /nfs/dbraw/zinc/13/49/28/138134928.db2.gz DMYMODLKXPLKHA-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(CC[NH+](C)C)CC1 ZINC000130579166 138342357 /nfs/dbraw/zinc/34/23/57/138342357.db2.gz NNPDUVTVGOPGBF-UHFFFAOYSA-N 1 3 349.523 1.729 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000564224464 306357668 /nfs/dbraw/zinc/35/76/68/306357668.db2.gz VKTOQMSIBLSUKB-HZPDHXFCSA-N 1 3 335.496 1.543 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CN(C)C2=O ZINC000564716896 306363440 /nfs/dbraw/zinc/36/34/40/306363440.db2.gz YFWCOVWTBRLUEE-UHFFFAOYSA-N 1 3 347.463 1.229 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000564937524 306370365 /nfs/dbraw/zinc/37/03/65/306370365.db2.gz NEQIXTHTTQOABP-KRWDZBQOSA-N 1 3 334.464 1.222 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000564937524 306370366 /nfs/dbraw/zinc/37/03/66/306370366.db2.gz NEQIXTHTTQOABP-KRWDZBQOSA-N 1 3 334.464 1.222 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694762 304128313 /nfs/dbraw/zinc/12/83/13/304128313.db2.gz NRUMTZDZCRYMCI-QFBILLFUSA-N 1 3 345.487 1.556 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694762 304128314 /nfs/dbraw/zinc/12/83/14/304128314.db2.gz NRUMTZDZCRYMCI-QFBILLFUSA-N 1 3 345.487 1.556 20 0 EDADHO CN(C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749232 304137116 /nfs/dbraw/zinc/13/71/16/304137116.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 1 3 338.540 1.770 20 0 EDADHO COCCN(C)c1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000414783370 304140663 /nfs/dbraw/zinc/14/06/63/304140663.db2.gz ZATPBMORZVRBNA-MJGOQNOKSA-N 1 3 348.491 1.492 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000415143219 304163933 /nfs/dbraw/zinc/16/39/33/304163933.db2.gz SGQPVAONKSQUAV-ZBFHGGJFSA-N 1 3 334.439 1.191 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236978269 139036921 /nfs/dbraw/zinc/03/69/21/139036921.db2.gz YHFBXCSBOGSSJW-KRWDZBQOSA-N 1 3 331.460 1.633 20 0 EDADHO CSCC[C@@H](N)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000237276728 139046272 /nfs/dbraw/zinc/04/62/72/139046272.db2.gz ZXJQAOYYMHSZPK-OAHLLOKOSA-N 1 3 325.478 1.324 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)CN1Cc1ccccc1 ZINC000237588390 139054991 /nfs/dbraw/zinc/05/49/91/139054991.db2.gz OSCXJLOPQACOFC-HYVNUMGLSA-N 1 3 333.501 1.861 20 0 EDADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000111838002 220202907 /nfs/dbraw/zinc/20/29/07/220202907.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN(C)Cc1ccccc1 ZINC000111838002 220202914 /nfs/dbraw/zinc/20/29/14/220202914.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO Cc1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)n(C2CCN(C)CC2)n1 ZINC000415253383 304179534 /nfs/dbraw/zinc/17/95/34/304179534.db2.gz PVAYXKFTMWAEMS-CQSZACIVSA-N 1 3 336.484 1.953 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115633 /nfs/dbraw/zinc/11/56/33/139115633.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246628057 139115634 /nfs/dbraw/zinc/11/56/34/139115634.db2.gz HRFFLKBQLXCQLQ-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246786940 139121540 /nfs/dbraw/zinc/12/15/40/139121540.db2.gz ZTLOOQOFILTTEQ-JENIJYKNSA-N 1 3 342.524 1.984 20 0 EDADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](CO)C(C)(C)C ZINC000248403082 139162251 /nfs/dbraw/zinc/16/22/51/139162251.db2.gz XCKDRDZTEBWUEI-SJORKVTESA-N 1 3 335.492 1.744 20 0 EDADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](CO)C(C)(C)C ZINC000248403081 139162255 /nfs/dbraw/zinc/16/22/55/139162255.db2.gz XCKDRDZTEBWUEI-IAGOWNOFSA-N 1 3 335.492 1.744 20 0 EDADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCN1C(=O)CCC1=O ZINC000092821144 218171841 /nfs/dbraw/zinc/17/18/41/218171841.db2.gz DNZSKBUKJFUVTA-UHFFFAOYSA-N 1 3 344.459 1.769 20 0 EDADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCN1C(=O)CCC1=O ZINC000092821144 218171843 /nfs/dbraw/zinc/17/18/43/218171843.db2.gz DNZSKBUKJFUVTA-UHFFFAOYSA-N 1 3 344.459 1.769 20 0 EDADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCCOC1 ZINC000249271854 139190044 /nfs/dbraw/zinc/19/00/44/139190044.db2.gz BMMKVVVGNDIQNU-AEFFLSMTSA-N 1 3 333.476 1.764 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415447058 304220734 /nfs/dbraw/zinc/22/07/34/304220734.db2.gz UBIRRWUHKTUXSR-ZBFHGGJFSA-N 1 3 346.475 1.315 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)N(C)C)cc1 ZINC000261928248 139237831 /nfs/dbraw/zinc/23/78/31/139237831.db2.gz ZONPLAABPVXJDD-ROUUACIJSA-N 1 3 333.476 1.722 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994990 251044271 /nfs/dbraw/zinc/04/42/71/251044271.db2.gz MKVFTZUPBZEJKF-ZIAGYGMSSA-N 1 3 346.397 1.738 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262295187 139267468 /nfs/dbraw/zinc/26/74/68/139267468.db2.gz OOHUPNMGHCMXPE-RTBURBONSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000417015283 251132889 /nfs/dbraw/zinc/13/28/89/251132889.db2.gz FJPOQBXOOPTGIZ-HZPDHXFCSA-N 1 3 330.476 1.814 20 0 EDADHO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)N1CCC(Cc2ccccc2)CC1 ZINC000262344896 139271874 /nfs/dbraw/zinc/27/18/74/139271874.db2.gz TZWQNDRVEXTTFI-LZQZEXGQSA-N 1 3 345.487 1.026 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417498692 251181323 /nfs/dbraw/zinc/18/13/23/251181323.db2.gz DITAAXZWQLGSBG-QZTJIDSGSA-N 1 3 348.491 1.829 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417569690 251192404 /nfs/dbraw/zinc/19/24/04/251192404.db2.gz RAMUQVVAHUPKJY-KRWDZBQOSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417752389 251255803 /nfs/dbraw/zinc/25/58/03/251255803.db2.gz MMQCWJUIPGAFFS-BRWVUGGUSA-N 1 3 339.528 1.029 20 0 EDADHO COC[C@@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826162 251286329 /nfs/dbraw/zinc/28/63/29/251286329.db2.gz MLWTXIFMQPUWBH-IEBWSBKVSA-N 1 3 327.428 1.582 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417846474 251295335 /nfs/dbraw/zinc/29/53/35/251295335.db2.gz UCZMTPFLXYPGTJ-LEOMRAHMSA-N 1 3 330.476 1.327 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000417846474 251295339 /nfs/dbraw/zinc/29/53/39/251295339.db2.gz UCZMTPFLXYPGTJ-LEOMRAHMSA-N 1 3 330.476 1.327 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000417803909 251277050 /nfs/dbraw/zinc/27/70/50/251277050.db2.gz GFGFEGLSEKPCNP-HUUCEWRRSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417821528 251282562 /nfs/dbraw/zinc/28/25/62/251282562.db2.gz ZKJCYISGWUNHRF-QGZVFWFLSA-N 1 3 338.496 1.412 20 0 EDADHO [NH3+]CCCNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000417823939 251284036 /nfs/dbraw/zinc/28/40/36/251284036.db2.gz LFTPMGDQOMREOL-UHFFFAOYSA-N 1 3 348.491 1.706 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418476299 251373683 /nfs/dbraw/zinc/37/36/83/251373683.db2.gz SQJJQWSFNIIZAL-OAHLLOKOSA-N 1 3 333.480 1.924 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418159856 251348485 /nfs/dbraw/zinc/34/84/85/251348485.db2.gz CWFKOJXGOHJRJJ-KKUMJFAQSA-N 1 3 338.452 1.468 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418713804 251392823 /nfs/dbraw/zinc/39/28/23/251392823.db2.gz YFNWTNUJJRXLLG-SJORKVTESA-N 1 3 347.507 1.181 20 0 EDADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418688752 251385798 /nfs/dbraw/zinc/38/57/98/251385798.db2.gz FHFRGNXFDXUYKH-VQIMIIECSA-N 1 3 348.491 1.440 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000262659155 139293789 /nfs/dbraw/zinc/29/37/89/139293789.db2.gz WNLJLWUAXCRXFD-INIZCTEOSA-N 1 3 348.491 1.131 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000262676982 139295614 /nfs/dbraw/zinc/29/56/14/139295614.db2.gz STFCVYUDRQLQQJ-HOTGVXAUSA-N 1 3 344.459 1.578 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857730 252093665 /nfs/dbraw/zinc/09/36/65/252093665.db2.gz YEZLPQDOFMLTTP-FUHWJXTLSA-N 1 3 333.476 1.782 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000423801324 252081340 /nfs/dbraw/zinc/08/13/40/252081340.db2.gz SUUOFCFXARXVEQ-KSZLIROESA-N 1 3 330.476 1.750 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156779 252147691 /nfs/dbraw/zinc/14/76/91/252147691.db2.gz OUBYUZKLJWIORM-HOTGVXAUSA-N 1 3 348.495 1.587 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000424469561 252242784 /nfs/dbraw/zinc/24/27/84/252242784.db2.gz QICOIONZJVMTLG-UHFFFAOYSA-N 1 3 332.448 1.337 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000415668455 304252498 /nfs/dbraw/zinc/25/24/98/304252498.db2.gz GDSXVPBXZUVSCE-PBHICJAKSA-N 1 3 346.475 1.724 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415786253 304270533 /nfs/dbraw/zinc/27/05/33/304270533.db2.gz LJOQSNWJPGFRSV-HNNXBMFYSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000118093914 221114867 /nfs/dbraw/zinc/11/48/67/221114867.db2.gz YVPIAAWOZXGXFS-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000118093914 221114869 /nfs/dbraw/zinc/11/48/69/221114869.db2.gz YVPIAAWOZXGXFS-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415881560 304283997 /nfs/dbraw/zinc/28/39/97/304283997.db2.gz VCMQUEIEIVNKQX-UHFFFAOYSA-N 1 3 344.459 1.421 20 0 EDADHO CCN(CCCO)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738002 140159080 /nfs/dbraw/zinc/15/90/80/140159080.db2.gz POCTTXFFKSWGIF-QGZVFWFLSA-N 1 3 347.503 1.860 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195102 /nfs/dbraw/zinc/19/51/02/140195102.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 1 3 333.476 1.326 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195103 /nfs/dbraw/zinc/19/51/03/140195103.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 1 3 333.476 1.326 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N(CCO)C3CCC3)CC2)CC1 ZINC000333019859 141251155 /nfs/dbraw/zinc/25/11/55/141251155.db2.gz DJNIPHBVHQHDKW-UHFFFAOYSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000333580545 141340197 /nfs/dbraw/zinc/34/01/97/141340197.db2.gz NQWOJJGBWUHXOH-DOTOQJQBSA-N 1 3 345.491 1.924 20 0 EDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647996 141350175 /nfs/dbraw/zinc/35/01/75/141350175.db2.gz JILSMNFAMZSJTD-HUUCEWRRSA-N 1 3 329.452 1.025 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333766419 141376445 /nfs/dbraw/zinc/37/64/45/141376445.db2.gz BIEBKVWYSRBGML-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013464 /nfs/dbraw/zinc/01/34/64/142013464.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013465 /nfs/dbraw/zinc/01/34/65/142013465.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO CCN1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000339321406 142014536 /nfs/dbraw/zinc/01/45/36/142014536.db2.gz SLHYVGIENVKNPD-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000339366502 142028435 /nfs/dbraw/zinc/02/84/35/142028435.db2.gz QDJCWOSDWBQYDD-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@H](C)C1 ZINC000346819211 143248763 /nfs/dbraw/zinc/24/87/63/143248763.db2.gz ICLMLZACXZWGKX-NVXWUHKLSA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@H](C)C1 ZINC000346819211 143248764 /nfs/dbraw/zinc/24/87/64/143248764.db2.gz ICLMLZACXZWGKX-NVXWUHKLSA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CCN(C)CC2)[C@H](C)C1 ZINC000346979658 143268047 /nfs/dbraw/zinc/26/80/47/143268047.db2.gz MYQJNWNTTSZSHJ-AEFFLSMTSA-N 1 3 339.524 1.972 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CC2CCN(C)CC2)[C@H](C)C1 ZINC000346979658 143268048 /nfs/dbraw/zinc/26/80/48/143268048.db2.gz MYQJNWNTTSZSHJ-AEFFLSMTSA-N 1 3 339.524 1.972 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049661 143276487 /nfs/dbraw/zinc/27/64/87/143276487.db2.gz NOLHZZSCUUEPAZ-IAGOWNOFSA-N 1 3 340.512 1.517 20 0 EDADHO Cn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194316 143293409 /nfs/dbraw/zinc/29/34/09/143293409.db2.gz GRNNVSFFXUIQLW-INIZCTEOSA-N 1 3 341.459 1.374 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000416856047 304352055 /nfs/dbraw/zinc/35/20/55/304352055.db2.gz QRDUAUPGTLSVQF-WMZOPIPTSA-N 1 3 346.475 1.883 20 0 EDADHO COc1ccc(C[C@@H](C)CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000352699603 149121434 /nfs/dbraw/zinc/12/14/34/149121434.db2.gz BDGFZDKGTQSYKU-WBVHZDCISA-N 1 3 335.467 1.992 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000416973151 304358133 /nfs/dbraw/zinc/35/81/33/304358133.db2.gz IIDWKOCCIQKSIS-JQHSSLGASA-N 1 3 346.475 1.506 20 0 EDADHO CN(C(=O)NC1CCN(CCc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000416973166 304358268 /nfs/dbraw/zinc/35/82/68/304358268.db2.gz JIXFXKDVBQKPFJ-UHFFFAOYSA-N 1 3 330.476 1.825 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416974458 304358574 /nfs/dbraw/zinc/35/85/74/304358574.db2.gz LDFOJCZDYOSIBW-MRXNPFEDSA-N 1 3 336.480 1.800 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)[C@H](C[NH3+])C1 ZINC000416979010 304359933 /nfs/dbraw/zinc/35/99/33/304359933.db2.gz WNNILBWUVNWXJL-RDJZCZTQSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000416977851 304359703 /nfs/dbraw/zinc/35/97/03/304359703.db2.gz UPVRPOZXLCXZBD-SJPCQFCGSA-N 1 3 346.475 1.709 20 0 EDADHO CN1CCC(O)(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000354959476 150054866 /nfs/dbraw/zinc/05/48/66/150054866.db2.gz LHLQYFXZWKHJFQ-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO CN1CCC(O)(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000354959476 150054868 /nfs/dbraw/zinc/05/48/68/150054868.db2.gz LHLQYFXZWKHJFQ-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355065774 150100809 /nfs/dbraw/zinc/10/08/09/150100809.db2.gz WBEJZGFPVSLXGZ-IBGZPJMESA-N 1 3 349.475 1.934 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000355065774 150100810 /nfs/dbraw/zinc/10/08/10/150100810.db2.gz WBEJZGFPVSLXGZ-IBGZPJMESA-N 1 3 349.475 1.934 20 0 EDADHO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000357926915 151198747 /nfs/dbraw/zinc/19/87/47/151198747.db2.gz KPIMINGKLWANIO-BJLQDIEVSA-N 1 3 343.471 1.224 20 0 EDADHO CSC1(CNC(=O)NCC2([NH+](C)C)CCC2)CCN(C)CC1 ZINC000357958564 151211365 /nfs/dbraw/zinc/21/13/65/151211365.db2.gz VUXKRLOTNRMPSQ-UHFFFAOYSA-N 1 3 328.526 1.597 20 0 EDADHO CC[C@@H](C(=O)N1CCN(c2ccncc2OC)CC1)[NH+](CC)CC ZINC000358287285 151326353 /nfs/dbraw/zinc/32/63/53/151326353.db2.gz HUVUKAAKULKHHP-HNNXBMFYSA-N 1 3 334.464 1.859 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000358495400 151395252 /nfs/dbraw/zinc/39/52/52/151395252.db2.gz DJIGCSNPLMPXHE-CYBMUJFWSA-N 1 3 342.434 1.988 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000359360186 151692702 /nfs/dbraw/zinc/69/27/02/151692702.db2.gz LIAUPFYHHQYKAJ-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360782325 152202499 /nfs/dbraw/zinc/20/24/99/152202499.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 1 3 341.544 1.386 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360782325 152202501 /nfs/dbraw/zinc/20/25/01/152202501.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 1 3 341.544 1.386 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CCOC1 ZINC000360939607 152257939 /nfs/dbraw/zinc/25/79/39/152257939.db2.gz BNMUDCVMRGOJOX-PKOBYXMFSA-N 1 3 332.492 1.998 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000361080079 152296888 /nfs/dbraw/zinc/29/68/88/152296888.db2.gz MYHAZIVBQASBSX-LLVKDONJSA-N 1 3 327.388 1.221 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)CCN1C ZINC000361109685 152308833 /nfs/dbraw/zinc/30/88/33/152308833.db2.gz NPZIHHPLRLLWKV-ZWKOTPCHSA-N 1 3 346.523 1.451 20 0 EDADHO CC[NH2+]CCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417156522 304378689 /nfs/dbraw/zinc/37/86/89/304378689.db2.gz SNIPDWSDQKUFHS-UHFFFAOYSA-N 1 3 347.507 1.498 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCOC[C@H]1C ZINC000363787183 153056339 /nfs/dbraw/zinc/05/63/39/153056339.db2.gz WSOBHFANKQKOEZ-ZJPYXAASSA-N 1 3 325.497 1.186 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCOC[C@H]1C ZINC000363787183 153056341 /nfs/dbraw/zinc/05/63/41/153056341.db2.gz WSOBHFANKQKOEZ-ZJPYXAASSA-N 1 3 325.497 1.186 20 0 EDADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417305269 304391761 /nfs/dbraw/zinc/39/17/61/304391761.db2.gz ADHVIGGXQIAKCR-OTWHNJEPSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@H](NC(=O)NCc1ccccc1OCCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000417355808 304394523 /nfs/dbraw/zinc/39/45/23/304394523.db2.gz DWWDCYVYZZFDEZ-HOTGVXAUSA-N 1 3 348.491 1.814 20 0 EDADHO COCCCN1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000369658435 155122826 /nfs/dbraw/zinc/12/28/26/155122826.db2.gz DGMRNAMPSIGEHH-ZACQAIPSSA-N 1 3 325.497 1.819 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458420722 292335434 /nfs/dbraw/zinc/33/54/34/292335434.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458420722 292335436 /nfs/dbraw/zinc/33/54/36/292335436.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371894967 156156989 /nfs/dbraw/zinc/15/69/89/156156989.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 1 3 345.491 1.388 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371894967 156156992 /nfs/dbraw/zinc/15/69/92/156156992.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 1 3 345.491 1.388 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371894967 156156996 /nfs/dbraw/zinc/15/69/96/156156996.db2.gz VUJOJLWSRUXVAO-MRXNPFEDSA-N 1 3 345.491 1.388 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417547842 304404618 /nfs/dbraw/zinc/40/46/18/304404618.db2.gz PIIWIGWXNDPYKV-ZBFHGGJFSA-N 1 3 340.512 1.693 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603409 157341675 /nfs/dbraw/zinc/34/16/75/157341675.db2.gz MSJCAJKNKYJKGV-OALUTQOASA-N 1 3 345.487 1.564 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603409 157341679 /nfs/dbraw/zinc/34/16/79/157341679.db2.gz MSJCAJKNKYJKGV-OALUTQOASA-N 1 3 345.487 1.564 20 0 EDADHO CN(CC(=O)NC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378542048 158204965 /nfs/dbraw/zinc/20/49/65/158204965.db2.gz SWRLICLHJZYODJ-UHFFFAOYSA-N 1 3 346.475 1.525 20 0 EDADHO Cc1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000121080933 287367821 /nfs/dbraw/zinc/36/78/21/287367821.db2.gz KQHUZRGVQXXMTI-MRXNPFEDSA-N 1 3 334.464 1.563 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](N)c1ccccc1 ZINC000169106306 226231336 /nfs/dbraw/zinc/23/13/36/226231336.db2.gz FXHOCSAQNIXGPG-TXPKVOOTSA-N 1 3 345.487 1.940 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000665761811 452336235 /nfs/dbraw/zinc/33/62/35/452336235.db2.gz QOUIUVCKSGOTIW-GJZGRUSLSA-N 1 3 330.542 1.653 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSC[C@@H](C)C1 ZINC000665761811 452336242 /nfs/dbraw/zinc/33/62/42/452336242.db2.gz QOUIUVCKSGOTIW-GJZGRUSLSA-N 1 3 330.542 1.653 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccco1 ZINC000418158781 287623273 /nfs/dbraw/zinc/62/32/73/287623273.db2.gz BMZIGDXVQGNDMZ-SRVKXCTJSA-N 1 3 332.395 1.991 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000192800972 272986742 /nfs/dbraw/zinc/98/67/42/272986742.db2.gz UPXDWGRTFCWYPO-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO C[C@@](C[NH3+])(NC(=O)CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237620238 273011314 /nfs/dbraw/zinc/01/13/14/273011314.db2.gz WVHQIVRCYSXYIL-FQEVSTJZSA-N 1 3 344.503 1.832 20 0 EDADHO CC1CCC(NC(=O)CN2CCN(CC3CC[NH2+]CC3)CC2)CC1 ZINC000178980141 275930745 /nfs/dbraw/zinc/93/07/45/275930745.db2.gz UOFJEQKLLAJZMJ-UHFFFAOYSA-N 1 3 336.524 1.299 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)C3CCOCC3)C2)CC1 ZINC000261617117 276198969 /nfs/dbraw/zinc/19/89/69/276198969.db2.gz BWTJGJKTPVOONW-SJLPKXTDSA-N 1 3 337.508 1.711 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102514 276361197 /nfs/dbraw/zinc/36/11/97/276361197.db2.gz HHJFAOWIKSFOCG-FGTMMUONSA-N 1 3 336.524 1.345 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462841 276789389 /nfs/dbraw/zinc/78/93/89/276789389.db2.gz ZJKDXNWGBYRJJY-GVDBMIGSSA-N 1 3 346.475 1.039 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283283 277319555 /nfs/dbraw/zinc/31/95/55/277319555.db2.gz UIQZLKOVSDPLKT-IAGOWNOFSA-N 1 3 347.459 1.090 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283283 277319557 /nfs/dbraw/zinc/31/95/57/277319557.db2.gz UIQZLKOVSDPLKT-IAGOWNOFSA-N 1 3 347.459 1.090 20 0 EDADHO C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000443335095 278299988 /nfs/dbraw/zinc/29/99/88/278299988.db2.gz OCLIPCLGCGRATF-KCITZHQASA-N 1 3 347.503 1.887 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417089331 279126992 /nfs/dbraw/zinc/12/69/92/279126992.db2.gz OFWLBDBVRKPAPX-JKSUJKDBSA-N 1 3 340.512 1.360 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)C[NH+](C)C)CC2)c1 ZINC000286962651 288126452 /nfs/dbraw/zinc/12/64/52/288126452.db2.gz LHBQBXLYNJQEFD-KRWDZBQOSA-N 1 3 332.492 1.573 20 0 EDADHO C[C@@H]1CN([C@H]2Cc3ccccc3[C@@H]2O)CCN1C1CC[NH+](C)CC1 ZINC000374609352 288255061 /nfs/dbraw/zinc/25/50/61/288255061.db2.gz DVDZQFHOIIKQNR-XPGWFJOJSA-N 1 3 329.488 1.745 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)c1ccc(C(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000288029113 288385203 /nfs/dbraw/zinc/38/52/03/288385203.db2.gz DAMMYQIRPMQZCW-RYUDHWBXSA-N 1 3 340.493 1.108 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290043490 288827366 /nfs/dbraw/zinc/82/73/66/288827366.db2.gz GRUGYPQFEYDYBQ-QZTJIDSGSA-N 1 3 342.487 1.267 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(CN(C)C)nc1 ZINC000494841580 289132086 /nfs/dbraw/zinc/13/20/86/289132086.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 1 3 335.496 1.099 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(CN(C)C)nc1 ZINC000494841580 289132087 /nfs/dbraw/zinc/13/20/87/289132087.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 1 3 335.496 1.099 20 0 EDADHO CN(C)Cc1ccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cn1 ZINC000494841580 289132088 /nfs/dbraw/zinc/13/20/88/289132088.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 1 3 335.496 1.099 20 0 EDADHO CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292189194 289284538 /nfs/dbraw/zinc/28/45/38/289284538.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 1 3 334.460 1.853 20 0 EDADHO CCOc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000292189194 289284539 /nfs/dbraw/zinc/28/45/39/289284539.db2.gz REJBMJGISCEHDL-VQIMIIECSA-N 1 3 334.460 1.853 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000352480446 289399624 /nfs/dbraw/zinc/39/96/24/289399624.db2.gz CBRVZRFISQMUJI-KRWDZBQOSA-N 1 3 340.537 1.694 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785307 290175963 /nfs/dbraw/zinc/17/59/63/290175963.db2.gz RMHFMPNVWQLDKG-RBUKOAKNSA-N 1 3 327.472 1.931 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000418537172 304509423 /nfs/dbraw/zinc/50/94/23/304509423.db2.gz JMTJDWFDKZVFIP-PKOBYXMFSA-N 1 3 348.491 1.987 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418645047 304524355 /nfs/dbraw/zinc/52/43/55/304524355.db2.gz RAYXHGBFPPUXHH-QGZVFWFLSA-N 1 3 347.507 1.933 20 0 EDADHO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074302 298119257 /nfs/dbraw/zinc/11/92/57/298119257.db2.gz JOJGTOQYJLEIOG-CQSZACIVSA-N 1 3 338.496 1.807 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448465884 447321567 /nfs/dbraw/zinc/32/15/67/447321567.db2.gz KDUPSJQVDGBYJI-QGZVFWFLSA-N 1 3 342.528 1.574 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448465884 447321568 /nfs/dbraw/zinc/32/15/68/447321568.db2.gz KDUPSJQVDGBYJI-QGZVFWFLSA-N 1 3 342.528 1.574 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424135272 302906352 /nfs/dbraw/zinc/90/63/52/302906352.db2.gz OTEJSAAZTANMNM-HZPDHXFCSA-N 1 3 345.491 1.588 20 0 EDADHO O=C(C[NH2+]C1CCN(c2ccncc2)CC1)NCCc1ccccc1 ZINC000298556369 303534544 /nfs/dbraw/zinc/53/45/44/303534544.db2.gz VIXFKZFQUTVZRN-UHFFFAOYSA-N 1 3 338.455 1.999 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338834897 303801130 /nfs/dbraw/zinc/80/11/30/303801130.db2.gz PKXYGRHINUDABG-HNNXBMFYSA-N 1 3 337.508 1.412 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414884006 447343546 /nfs/dbraw/zinc/34/35/46/447343546.db2.gz UFACHLJGSHWZDK-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020582 304883142 /nfs/dbraw/zinc/88/31/42/304883142.db2.gz CBBHELGXBMYXHO-XHDPSFHLSA-N 1 3 343.830 1.928 20 0 EDADHO O[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCc2cc(Br)ccc2C1 ZINC000423412903 304894844 /nfs/dbraw/zinc/89/48/44/304894844.db2.gz XNQXKWLJMHRZRK-NWANDNLSSA-N 1 3 325.250 1.476 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC1(C[NH3+])CC1 ZINC000423739484 304907054 /nfs/dbraw/zinc/90/70/54/304907054.db2.gz FWOFXPVLMDXYJT-UHFFFAOYSA-N 1 3 325.403 1.984 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[NH2+]CC2)CC1 ZINC000430590655 305057624 /nfs/dbraw/zinc/05/76/24/305057624.db2.gz IBPBBWGIAHUIFO-UHFFFAOYSA-N 1 3 344.503 1.325 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2CNC2)C1 ZINC000430751681 305063958 /nfs/dbraw/zinc/06/39/58/305063958.db2.gz YRODTKYEHWWEKW-OAHLLOKOSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)COC2CNC2)C1 ZINC000430751681 305063959 /nfs/dbraw/zinc/06/39/59/305063959.db2.gz YRODTKYEHWWEKW-OAHLLOKOSA-N 1 3 331.460 1.523 20 0 EDADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COC1CNC1 ZINC000430841859 305065724 /nfs/dbraw/zinc/06/57/24/305065724.db2.gz SFCQESROWAZBOV-UHFFFAOYSA-N 1 3 325.478 1.407 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](N)c1ccccc1 ZINC000430894252 305067221 /nfs/dbraw/zinc/06/72/21/305067221.db2.gz LYNUEJUOOMYOOW-UAGQMJEPSA-N 1 3 346.475 1.026 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H](N)c1ccccc1 ZINC000430894252 305067222 /nfs/dbraw/zinc/06/72/22/305067222.db2.gz LYNUEJUOOMYOOW-UAGQMJEPSA-N 1 3 346.475 1.026 20 0 EDADHO COCC[N@H+](C)CC[C@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1 ZINC000430917270 305067881 /nfs/dbraw/zinc/06/78/81/305067881.db2.gz YGENKYLLEIGTLG-ROUUACIJSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NC(=O)C[C@H]1CNCCO1)c1ccccc1 ZINC000430917270 305067882 /nfs/dbraw/zinc/06/78/82/305067882.db2.gz YGENKYLLEIGTLG-ROUUACIJSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059693 305074037 /nfs/dbraw/zinc/07/40/37/305074037.db2.gz CXDMQGLDCRSHFR-XKGZKEIXSA-N 1 3 345.487 1.954 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434522045 305124097 /nfs/dbraw/zinc/12/40/97/305124097.db2.gz FHXSBHWHIMQMJN-ZWKOTPCHSA-N 1 3 337.508 1.913 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2)CC1 ZINC000434697874 305128018 /nfs/dbraw/zinc/12/80/18/305128018.db2.gz BMMFPGADVVSOFA-HZPDHXFCSA-N 1 3 330.476 1.651 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN[C@H](C)[C@H]3C)cc2)CC1 ZINC000434697874 305128019 /nfs/dbraw/zinc/12/80/19/305128019.db2.gz BMMFPGADVVSOFA-HZPDHXFCSA-N 1 3 330.476 1.651 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000435385842 305139545 /nfs/dbraw/zinc/13/95/45/305139545.db2.gz RSRZCTNXTOLKRO-SFHVURJKSA-N 1 3 332.492 1.378 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)N(CC)CC ZINC000437957730 305179524 /nfs/dbraw/zinc/17/95/24/305179524.db2.gz SLIMTBSKXSDBIE-WCXIOVBPSA-N 1 3 325.497 1.817 20 0 EDADHO Cc1ccc(NC(=O)CCN(C)CC[N@H+](C)C2CCN(C)CC2)nc1 ZINC000447312355 305277900 /nfs/dbraw/zinc/27/79/00/305277900.db2.gz LWJUPCLYHNKVCG-UHFFFAOYSA-N 1 3 347.507 1.676 20 0 EDADHO Cc1ccc(NC(=O)CCN(C)CC[N@@H+](C)C2CCN(C)CC2)nc1 ZINC000447312355 305277901 /nfs/dbraw/zinc/27/79/01/305277901.db2.gz LWJUPCLYHNKVCG-UHFFFAOYSA-N 1 3 347.507 1.676 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250022 305294347 /nfs/dbraw/zinc/29/43/47/305294347.db2.gz RGMHTVXWUBJJDQ-HOTGVXAUSA-N 1 3 342.553 1.797 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250022 305294348 /nfs/dbraw/zinc/29/43/48/305294348.db2.gz RGMHTVXWUBJJDQ-HOTGVXAUSA-N 1 3 342.553 1.797 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419705525 447361569 /nfs/dbraw/zinc/36/15/69/447361569.db2.gz ZWHPGBWCUPQLNS-HOTGVXAUSA-N 1 3 340.512 1.247 20 0 EDADHO CN(C)CCOCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538650247 306031250 /nfs/dbraw/zinc/03/12/50/306031250.db2.gz PKSZVMZVWGXPBA-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO CN(C)CCOCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000538650247 306031251 /nfs/dbraw/zinc/03/12/51/306031251.db2.gz PKSZVMZVWGXPBA-SFHVURJKSA-N 1 3 333.476 1.593 20 0 EDADHO CN(CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000543714158 306067523 /nfs/dbraw/zinc/06/75/23/306067523.db2.gz KRUVINSSZKYJBI-KRWDZBQOSA-N 1 3 334.464 1.261 20 0 EDADHO CN(CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000543714158 306067524 /nfs/dbraw/zinc/06/75/24/306067524.db2.gz KRUVINSSZKYJBI-KRWDZBQOSA-N 1 3 334.464 1.261 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422146693 447372662 /nfs/dbraw/zinc/37/26/62/447372662.db2.gz KXPFOVGXAOPKLX-UHFFFAOYSA-N 1 3 339.528 1.184 20 0 EDADHO CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665170417 453599959 /nfs/dbraw/zinc/59/99/59/453599959.db2.gz MRZWFTGHPWBJQI-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO CC[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665170417 453599962 /nfs/dbraw/zinc/59/99/62/453599962.db2.gz MRZWFTGHPWBJQI-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO CN(C)Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)ccc1F ZINC000415108820 447389193 /nfs/dbraw/zinc/38/91/93/447389193.db2.gz PEDHZPLNEWULBT-OAHLLOKOSA-N 1 3 336.455 1.174 20 0 EDADHO CN(C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000378225232 447410112 /nfs/dbraw/zinc/41/01/12/447410112.db2.gz CZRIHVGWVWABDL-YQVWRLOYSA-N 1 3 348.491 1.216 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000103213347 441178349 /nfs/dbraw/zinc/17/83/49/441178349.db2.gz BIAVVJNWSDWIOV-UHFFFAOYSA-N 1 3 341.459 1.709 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000105082573 441231250 /nfs/dbraw/zinc/23/12/50/441231250.db2.gz IJLLINPOZHZZRM-SFHVURJKSA-N 1 3 332.492 1.800 20 0 EDADHO COCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156154 441236427 /nfs/dbraw/zinc/23/64/27/441236427.db2.gz NVNWFCVLCIYSLV-UHFFFAOYSA-N 1 3 333.476 1.593 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000081281945 441248190 /nfs/dbraw/zinc/24/81/90/441248190.db2.gz ZRQXKZARDBVMBW-SFHVURJKSA-N 1 3 344.503 1.575 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000081281945 441248195 /nfs/dbraw/zinc/24/81/95/441248195.db2.gz ZRQXKZARDBVMBW-SFHVURJKSA-N 1 3 344.503 1.575 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CCOCC1 ZINC000073236883 441303948 /nfs/dbraw/zinc/30/39/48/441303948.db2.gz DMSOECIVVPQUIY-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541121 441461289 /nfs/dbraw/zinc/46/12/89/441461289.db2.gz BIASYLBSYWYETI-RTBURBONSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541121 441461292 /nfs/dbraw/zinc/46/12/92/441461292.db2.gz BIASYLBSYWYETI-RTBURBONSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000458658938 447441207 /nfs/dbraw/zinc/44/12/07/447441207.db2.gz ONGVXVILRXWGAY-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@@H](O)CN1CCC(C)CC1)C(C)C ZINC000067581645 441654019 /nfs/dbraw/zinc/65/40/19/441654019.db2.gz NHVXKAGWCVDGFI-QGZVFWFLSA-N 1 3 342.528 1.497 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077775215 441857807 /nfs/dbraw/zinc/85/78/07/441857807.db2.gz ZSQBKVVPJWGHED-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077775215 441857812 /nfs/dbraw/zinc/85/78/12/441857812.db2.gz ZSQBKVVPJWGHED-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc(F)c1F ZINC000077827643 441872030 /nfs/dbraw/zinc/87/20/30/441872030.db2.gz PJGVCOMIPDNCCA-UHFFFAOYSA-N 1 3 342.434 1.642 20 0 EDADHO COCCN1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000140461144 441838865 /nfs/dbraw/zinc/83/88/65/441838865.db2.gz AFYGAFFSLXMGOA-ZXFUBFMLSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000140461144 441838872 /nfs/dbraw/zinc/83/88/72/441838872.db2.gz AFYGAFFSLXMGOA-ZXFUBFMLSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077775243 441857080 /nfs/dbraw/zinc/85/70/80/441857080.db2.gz ADDVVJVLOKSZFD-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077775243 441857082 /nfs/dbraw/zinc/85/70/82/441857082.db2.gz ADDVVJVLOKSZFD-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO CCn1nc(C)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120104344 442008294 /nfs/dbraw/zinc/00/82/94/442008294.db2.gz VFEHKRLXPOJWMF-UHFFFAOYSA-N 1 3 333.480 1.500 20 0 EDADHO CC(C)N(C)CC(=O)NC1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000161822658 442035838 /nfs/dbraw/zinc/03/58/38/442035838.db2.gz UYLJTDRPPALWOL-UHFFFAOYSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)NC1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000161822658 442035843 /nfs/dbraw/zinc/03/58/43/442035843.db2.gz UYLJTDRPPALWOL-UHFFFAOYSA-N 1 3 340.512 1.210 20 0 EDADHO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCC1=CCCOC1 ZINC000120421793 442068906 /nfs/dbraw/zinc/06/89/06/442068906.db2.gz QCZJESYASJFDIR-SFHVURJKSA-N 1 3 331.460 1.212 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000120860763 442143124 /nfs/dbraw/zinc/14/31/24/442143124.db2.gz NTOXHNAIQNIBHN-HUUCEWRRSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@H](C)C1 ZINC000120860763 442143128 /nfs/dbraw/zinc/14/31/28/442143128.db2.gz NTOXHNAIQNIBHN-HUUCEWRRSA-N 1 3 336.484 1.639 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000176087607 442174197 /nfs/dbraw/zinc/17/41/97/442174197.db2.gz MBNQLSFOYVXSDF-HNNXBMFYSA-N 1 3 332.448 1.063 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000176087607 442174200 /nfs/dbraw/zinc/17/42/00/442174200.db2.gz MBNQLSFOYVXSDF-HNNXBMFYSA-N 1 3 332.448 1.063 20 0 EDADHO C[C@@H]1OCC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081025 442175124 /nfs/dbraw/zinc/17/51/24/442175124.db2.gz OZBBZWBIDUWTOD-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1OCC[C@H]1NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000121081025 442175129 /nfs/dbraw/zinc/17/51/29/442175129.db2.gz OZBBZWBIDUWTOD-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000172124558 442411702 /nfs/dbraw/zinc/41/17/02/442411702.db2.gz MEDVXSCJEVXEOB-UHFFFAOYSA-N 1 3 332.492 1.899 20 0 EDADHO C[C@H](O)C1CCN(CCOCC[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000178700241 442458611 /nfs/dbraw/zinc/45/86/11/442458611.db2.gz YAJCXBRLKLWTPP-HOTGVXAUSA-N 1 3 328.497 1.189 20 0 EDADHO CC(C)[NH+]1CCN(CCCN[C@@](C)(C(N)=O)c2ccccc2)CC1 ZINC000191584921 442470885 /nfs/dbraw/zinc/47/08/85/442470885.db2.gz UFUYXLKYFHFSQE-LJQANCHMSA-N 1 3 332.492 1.393 20 0 EDADHO OCCN(Cc1cnn(Cc2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000178981258 442544066 /nfs/dbraw/zinc/54/40/66/442544066.db2.gz ZPVKXHRMJKSTPY-UHFFFAOYSA-N 1 3 328.460 1.725 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CCC3CCOCC3)CC2)CC1 ZINC000172929605 442569334 /nfs/dbraw/zinc/56/93/34/442569334.db2.gz WHVFFVYSHNCKMC-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(C)C)[C@H](C)C1 ZINC000187019155 442646261 /nfs/dbraw/zinc/64/62/61/442646261.db2.gz QNAJCTQPGGAMRI-IXDOHACOSA-N 1 3 327.513 1.874 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192475350 442651543 /nfs/dbraw/zinc/65/15/43/442651543.db2.gz HOTIKJCLXRVUSW-AWEZNQCLSA-N 1 3 348.516 1.716 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCN2CCOC)C1 ZINC000173176350 442618099 /nfs/dbraw/zinc/61/80/99/442618099.db2.gz ALYGOZZBCJRJQR-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)ccn1 ZINC000192792328 442686789 /nfs/dbraw/zinc/68/67/89/442686789.db2.gz SNGLQPZOJGAATE-UHFFFAOYSA-N 1 3 346.475 1.513 20 0 EDADHO CCCCCNC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180944805 442670893 /nfs/dbraw/zinc/67/08/93/442670893.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 1 3 326.529 1.639 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000188783133 442812178 /nfs/dbraw/zinc/81/21/78/442812178.db2.gz HATYWSPOCDPSQT-ZFWWWQNUSA-N 1 3 339.443 1.448 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[N@H+]1Cc1ccccc1 ZINC000188783133 442812182 /nfs/dbraw/zinc/81/21/82/442812182.db2.gz HATYWSPOCDPSQT-ZFWWWQNUSA-N 1 3 339.443 1.448 20 0 EDADHO OCC1(C[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000183154649 442890813 /nfs/dbraw/zinc/89/08/13/442890813.db2.gz KREKNQSFSPUVIG-OTWHNJEPSA-N 1 3 330.472 1.886 20 0 EDADHO CN(CCCNCc1c(Br)cnn1C)CC[NH+](C)C ZINC000623088074 450398763 /nfs/dbraw/zinc/39/87/63/450398763.db2.gz VHQWIEBJGMBPIU-UHFFFAOYSA-N 1 3 332.290 1.156 20 0 EDADHO C[C@H](NC[C@@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904171 443142145 /nfs/dbraw/zinc/14/21/45/443142145.db2.gz PLZZGANXHZKLAD-KBXCAEBGSA-N 1 3 332.448 1.745 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000268904171 443142149 /nfs/dbraw/zinc/14/21/49/443142149.db2.gz PLZZGANXHZKLAD-KBXCAEBGSA-N 1 3 332.448 1.745 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237217158 443164590 /nfs/dbraw/zinc/16/45/90/443164590.db2.gz VMOBRJRVTJKURB-LJQANCHMSA-N 1 3 344.503 1.799 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190764521 443179887 /nfs/dbraw/zinc/17/98/87/443179887.db2.gz CWFVLZSFSMSBAD-KRWDZBQOSA-N 1 3 349.523 1.280 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656740 443206419 /nfs/dbraw/zinc/20/64/19/443206419.db2.gz VAQNBPWWGMCBMU-KURKYZTESA-N 1 3 338.540 1.402 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CSCCN2)C1 ZINC000262734487 443208925 /nfs/dbraw/zinc/20/89/25/443208925.db2.gz CELYPPPZYSOQCQ-ZNMIVQPWSA-N 1 3 327.538 1.954 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CSCCN2)C1 ZINC000262734487 443208931 /nfs/dbraw/zinc/20/89/31/443208931.db2.gz CELYPPPZYSOQCQ-ZNMIVQPWSA-N 1 3 327.538 1.954 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522919 319135303 /nfs/dbraw/zinc/13/53/03/319135303.db2.gz VMFMNWPQUWQNLH-HUUCEWRRSA-N 1 3 341.496 1.726 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269257634 443254152 /nfs/dbraw/zinc/25/41/52/443254152.db2.gz UDNLIGQBFWQLPW-IBGZPJMESA-N 1 3 345.487 1.783 20 0 EDADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000414202024 319319166 /nfs/dbraw/zinc/31/91/66/319319166.db2.gz TXIIGSNQPANAJN-KRWDZBQOSA-N 1 3 335.496 1.257 20 0 EDADHO Cc1ncc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414549376 319330118 /nfs/dbraw/zinc/33/01/18/319330118.db2.gz LDBRBARFMULGEM-UHFFFAOYSA-N 1 3 326.444 1.902 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958768 319385148 /nfs/dbraw/zinc/38/51/48/319385148.db2.gz XNZYGVPCMDECEI-CQSZACIVSA-N 1 3 349.483 1.128 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415958768 319385151 /nfs/dbraw/zinc/38/51/51/319385151.db2.gz XNZYGVPCMDECEI-CQSZACIVSA-N 1 3 349.483 1.128 20 0 EDADHO CN1CCC(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000269669674 443388100 /nfs/dbraw/zinc/38/81/00/443388100.db2.gz KEVDXAXDNRIUSW-INIZCTEOSA-N 1 3 331.464 1.502 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419125796 319558822 /nfs/dbraw/zinc/55/88/22/319558822.db2.gz USLJKCBIINSMOW-CABCVRRESA-N 1 3 326.485 1.001 20 0 EDADHO Cc1nccn1C[C@H]1CCCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278986315 443482550 /nfs/dbraw/zinc/48/25/50/443482550.db2.gz KMXCGMPLUWRQPV-UONOGXRCSA-N 1 3 328.420 1.296 20 0 EDADHO Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278986314 443482653 /nfs/dbraw/zinc/48/26/53/443482653.db2.gz KMXCGMPLUWRQPV-KGLIPLIRSA-N 1 3 328.420 1.296 20 0 EDADHO CC(C)C(=O)NCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016065 319746333 /nfs/dbraw/zinc/74/63/33/319746333.db2.gz SGEYZYQYXYRQQP-QFBILLFUSA-N 1 3 331.460 1.994 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000452389915 320249021 /nfs/dbraw/zinc/24/90/21/320249021.db2.gz NBVXURYSIGSCJN-INIZCTEOSA-N 1 3 349.475 1.204 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CCCN1CCCO)[NH+]1CCCCC1 ZINC000457471036 320327169 /nfs/dbraw/zinc/32/71/69/320327169.db2.gz WBZUKWFCOPHUGY-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724545 320333474 /nfs/dbraw/zinc/33/34/74/320333474.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724545 320333475 /nfs/dbraw/zinc/33/34/75/320333475.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000298264694 443733207 /nfs/dbraw/zinc/73/32/07/443733207.db2.gz BWWNRYBXSKVKNL-UHFFFAOYSA-N 1 3 330.476 1.998 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000288173819 443793246 /nfs/dbraw/zinc/79/32/46/443793246.db2.gz PSAYAWYWUHWXRS-AYBZRNKSSA-N 1 3 348.491 1.261 20 0 EDADHO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000277063555 443899513 /nfs/dbraw/zinc/89/95/13/443899513.db2.gz WGRMGYKJVQOHIH-RCCFBDPRSA-N 1 3 333.476 1.953 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277305739 443958727 /nfs/dbraw/zinc/95/87/27/443958727.db2.gz ULALJJSNMFPNQV-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@H](N(C)C)CC2)c1 ZINC000277305739 443958734 /nfs/dbraw/zinc/95/87/34/443958734.db2.gz ULALJJSNMFPNQV-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000562803796 321077164 /nfs/dbraw/zinc/07/71/64/321077164.db2.gz BNZGQJDQWLHTCF-QAPCUYQASA-N 1 3 344.503 1.997 20 0 EDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641483 321139743 /nfs/dbraw/zinc/13/97/43/321139743.db2.gz WDPZOPSIOVIJOS-HOCLYGCPSA-N 1 3 343.537 1.843 20 0 EDADHO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564957539 321160694 /nfs/dbraw/zinc/16/06/94/321160694.db2.gz URYJXHDBMDFWDU-GBESFXJTSA-N 1 3 342.487 1.798 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)COC)CC2)CC1 ZINC000565179035 321173653 /nfs/dbraw/zinc/17/36/53/321173653.db2.gz CUCFDRCNMTUHDU-OAHLLOKOSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000566089383 321214153 /nfs/dbraw/zinc/21/41/53/321214153.db2.gz MDPLJKGJXFGIMF-MISYRCLQSA-N 1 3 346.519 1.332 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000289309591 444103819 /nfs/dbraw/zinc/10/38/19/444103819.db2.gz DWRJXXMBVGHGGV-FUHWJXTLSA-N 1 3 340.471 1.962 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000289309591 444103823 /nfs/dbraw/zinc/10/38/23/444103823.db2.gz DWRJXXMBVGHGGV-FUHWJXTLSA-N 1 3 340.471 1.962 20 0 EDADHO C[C@H](C(=O)N(C)Cc1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289364941 444118919 /nfs/dbraw/zinc/11/89/19/444118919.db2.gz HSRVPCZLLMLYJF-GOSISDBHSA-N 1 3 348.535 1.849 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153693 444108511 /nfs/dbraw/zinc/10/85/11/444108511.db2.gz OPRBNUUGZLNWGB-KRWDZBQOSA-N 1 3 348.491 1.031 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153693 444108513 /nfs/dbraw/zinc/10/85/13/444108513.db2.gz OPRBNUUGZLNWGB-KRWDZBQOSA-N 1 3 348.491 1.031 20 0 EDADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)ncn1 ZINC000574188800 321474660 /nfs/dbraw/zinc/47/46/60/321474660.db2.gz ZQXZNQFPEWDEIV-XLNGHYISSA-N 1 3 333.480 1.350 20 0 EDADHO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NC1CCN(C2CC2)CC1 ZINC000574762069 321499966 /nfs/dbraw/zinc/49/99/66/321499966.db2.gz CDYBVZHXWCUMOW-NXHRZFHOSA-N 1 3 333.476 1.277 20 0 EDADHO COCCCN(C(=O)CCN(C)c1cc[nH+]cc1)C1CCN(C)CC1 ZINC000575113551 321515111 /nfs/dbraw/zinc/51/51/11/321515111.db2.gz CGZJYRMXTKGJIQ-UHFFFAOYSA-N 1 3 348.491 1.867 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000289619347 444181731 /nfs/dbraw/zinc/18/17/31/444181731.db2.gz BAQIPFSIAHSUQP-SJORKVTESA-N 1 3 347.459 1.438 20 0 EDADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000289673474 444188959 /nfs/dbraw/zinc/18/89/59/444188959.db2.gz DNUXRGPQNLZCIU-UHFFFAOYSA-N 1 3 349.475 1.882 20 0 EDADHO CC[C@@H](C)N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295927462 444194513 /nfs/dbraw/zinc/19/45/13/444194513.db2.gz FTLKPAMMRKYZRB-IEBWSBKVSA-N 1 3 346.519 1.822 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766059 444289786 /nfs/dbraw/zinc/28/97/86/444289786.db2.gz ZLYLOYRPRXKBCK-GJZGRUSLSA-N 1 3 325.403 1.997 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309766059 444289788 /nfs/dbraw/zinc/28/97/88/444289788.db2.gz ZLYLOYRPRXKBCK-GJZGRUSLSA-N 1 3 325.403 1.997 20 0 EDADHO C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000326104516 444372973 /nfs/dbraw/zinc/37/29/73/444372973.db2.gz FCZNERFTHLYLGX-YYAJDYIMSA-N 1 3 337.508 1.757 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C2)CC1 ZINC000579589426 321951314 /nfs/dbraw/zinc/95/13/14/321951314.db2.gz DEHJTKKFJGUYGS-KURKYZTESA-N 1 3 336.524 1.521 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000580426006 322049098 /nfs/dbraw/zinc/04/90/98/322049098.db2.gz XJANWAOIGLXELC-WBAXXEDZSA-N 1 3 331.460 1.946 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000580540151 322063573 /nfs/dbraw/zinc/06/35/73/322063573.db2.gz LHQMGQXPSMLZIV-WBVHZDCISA-N 1 3 341.459 1.800 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186160 322146295 /nfs/dbraw/zinc/14/62/95/322146295.db2.gz GDIDKTPPZHHHDW-DOTOQJQBSA-N 1 3 340.439 1.656 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186160 322146297 /nfs/dbraw/zinc/14/62/97/322146297.db2.gz GDIDKTPPZHHHDW-DOTOQJQBSA-N 1 3 340.439 1.656 20 0 EDADHO CC1(C)CN(C2(CNC(=O)N[C@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000581381414 322171655 /nfs/dbraw/zinc/17/16/55/322171655.db2.gz DGKQUWAMLLSNJZ-HNNXBMFYSA-N 1 3 338.496 1.461 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603552 /nfs/dbraw/zinc/60/35/52/444603552.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603556 /nfs/dbraw/zinc/60/35/56/444603556.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000343817648 444608876 /nfs/dbraw/zinc/60/88/76/444608876.db2.gz OHNVXHMRSVPWPL-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N(C)C1CC1 ZINC000333439099 444671332 /nfs/dbraw/zinc/67/13/32/444671332.db2.gz VUHHRMOTYVCNNO-XYPHTWIQSA-N 1 3 338.496 1.397 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000333823063 444701626 /nfs/dbraw/zinc/70/16/26/444701626.db2.gz HZYMNXCCSPPIPG-BZUAXINKSA-N 1 3 329.510 1.122 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940035 444683478 /nfs/dbraw/zinc/68/34/78/444683478.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 1 3 332.444 1.508 20 0 EDADHO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000343940035 444683481 /nfs/dbraw/zinc/68/34/81/444683481.db2.gz NBUAGAAKIDRAGW-RBUKOAKNSA-N 1 3 332.444 1.508 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000344045028 444747157 /nfs/dbraw/zinc/74/71/57/444747157.db2.gz XZPIARMXNASZQN-FGTMMUONSA-N 1 3 340.556 1.695 20 0 EDADHO CC[NH+]1CCC(NC(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000341453998 444840864 /nfs/dbraw/zinc/84/08/64/444840864.db2.gz CKHFKUFCQIWJNO-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000342711524 444827797 /nfs/dbraw/zinc/82/77/97/444827797.db2.gz MBOLCRXMFQXRQR-KRWDZBQOSA-N 1 3 330.476 1.233 20 0 EDADHO CCN(CC)CC(=O)N1C[C@H](C)N(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000337535853 445125352 /nfs/dbraw/zinc/12/53/52/445125352.db2.gz VVTYGUWDCJUWJM-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCN(CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000337535853 445125356 /nfs/dbraw/zinc/12/53/56/445125356.db2.gz VVTYGUWDCJUWJM-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)N(C)C1 ZINC000345846877 445200711 /nfs/dbraw/zinc/20/07/11/445200711.db2.gz ASAHRSDPVYFXJJ-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229030 /nfs/dbraw/zinc/22/90/30/445229030.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229031 /nfs/dbraw/zinc/22/90/31/445229031.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000362497586 445412068 /nfs/dbraw/zinc/41/20/68/445412068.db2.gz IRHUGSIMTZSINL-IBGZPJMESA-N 1 3 344.503 1.995 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357041923 445390420 /nfs/dbraw/zinc/39/04/20/445390420.db2.gz DMNPCFOLIQNRNY-QGZVFWFLSA-N 1 3 348.491 1.885 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349039425 445484763 /nfs/dbraw/zinc/48/47/63/445484763.db2.gz XJDGGNBDYIFBEH-APWZRJJASA-N 1 3 349.523 1.456 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349039425 445484765 /nfs/dbraw/zinc/48/47/65/445484765.db2.gz XJDGGNBDYIFBEH-APWZRJJASA-N 1 3 349.523 1.456 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360122216 445579642 /nfs/dbraw/zinc/57/96/42/445579642.db2.gz CRWLDZFMHNJRGA-OAHLLOKOSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360122216 445579648 /nfs/dbraw/zinc/57/96/48/445579648.db2.gz CRWLDZFMHNJRGA-OAHLLOKOSA-N 1 3 328.501 1.467 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1ccccc1 ZINC000358521788 445631421 /nfs/dbraw/zinc/63/14/21/445631421.db2.gz YRJNHMYEEBQXJZ-UHFFFAOYSA-N 1 3 330.432 1.088 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631759 /nfs/dbraw/zinc/63/17/59/445631759.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 1 3 336.524 1.392 20 0 EDADHO CN(CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000349801188 445682351 /nfs/dbraw/zinc/68/23/51/445682351.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 1 3 330.476 1.997 20 0 EDADHO CN(CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1 ZINC000349801188 445682355 /nfs/dbraw/zinc/68/23/55/445682355.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 1 3 330.476 1.997 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)c1ccccc1 ZINC000358658427 445698224 /nfs/dbraw/zinc/69/82/24/445698224.db2.gz DZHIZGGHBAFLEU-MJGOQNOKSA-N 1 3 348.491 1.435 20 0 EDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674008 445702717 /nfs/dbraw/zinc/70/27/17/445702717.db2.gz QUMLLGIECLKZNE-SJORKVTESA-N 1 3 325.497 1.773 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931994 445724527 /nfs/dbraw/zinc/72/45/27/445724527.db2.gz IFCJXBFAQKEFRB-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N(C)C1CC1 ZINC000356328210 445736603 /nfs/dbraw/zinc/73/66/03/445736603.db2.gz DRJGKFYYCDWUPO-OAHLLOKOSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000356455307 445799810 /nfs/dbraw/zinc/79/98/10/445799810.db2.gz MKLYWHLIAXVGMF-INIZCTEOSA-N 1 3 340.512 1.262 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356610629 445884170 /nfs/dbraw/zinc/88/41/70/445884170.db2.gz UNUQLGKZWPILJN-QZTJIDSGSA-N 1 3 338.540 1.593 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356610629 445884173 /nfs/dbraw/zinc/88/41/73/445884173.db2.gz UNUQLGKZWPILJN-QZTJIDSGSA-N 1 3 338.540 1.593 20 0 EDADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354000375 445846386 /nfs/dbraw/zinc/84/63/86/445846386.db2.gz BHTNXASHQVODRX-ROUUACIJSA-N 1 3 335.492 1.574 20 0 EDADHO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CCCCCC1 ZINC000363645952 445863056 /nfs/dbraw/zinc/86/30/56/445863056.db2.gz IDQKLGIIBVTVEZ-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO C[C@@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CCCCCC1 ZINC000363645952 445863059 /nfs/dbraw/zinc/86/30/59/445863059.db2.gz IDQKLGIIBVTVEZ-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)/C=C/C[NH+](C)C ZINC000372922347 445922730 /nfs/dbraw/zinc/92/27/30/445922730.db2.gz LVDNIYHZHSQVGS-VQFGERMISA-N 1 3 331.460 1.200 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000359147740 445981608 /nfs/dbraw/zinc/98/16/08/445981608.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000359147740 445981612 /nfs/dbraw/zinc/98/16/12/445981612.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000583682521 326117282 /nfs/dbraw/zinc/11/72/82/326117282.db2.gz ZFTNECUENGUHCO-ROUUACIJSA-N 1 3 330.476 1.875 20 0 EDADHO CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H](CN)C1 ZINC000583860148 326153727 /nfs/dbraw/zinc/15/37/27/326153727.db2.gz PBKWLEKTQZPUGE-WBVHZDCISA-N 1 3 331.464 1.342 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000583930325 326167799 /nfs/dbraw/zinc/16/77/99/326167799.db2.gz ZHYVCYUBFMZAIC-GOSISDBHSA-N 1 3 349.519 1.659 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359241642 446074668 /nfs/dbraw/zinc/07/46/68/446074668.db2.gz PLPFYOKDNFPGSX-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369657512 446140064 /nfs/dbraw/zinc/14/00/64/446140064.db2.gz UCKKXWAXKJKOLY-UHFFFAOYSA-N 1 3 336.484 1.954 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000359280167 446115588 /nfs/dbraw/zinc/11/55/88/446115588.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000359280167 446115594 /nfs/dbraw/zinc/11/55/94/446115594.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000365277285 446121546 /nfs/dbraw/zinc/12/15/46/446121546.db2.gz TTXRBPAEJZNDPZ-IKGGRYGDSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CCN(C)CC1 ZINC000365277285 446121552 /nfs/dbraw/zinc/12/15/52/446121552.db2.gz TTXRBPAEJZNDPZ-IKGGRYGDSA-N 1 3 335.492 1.430 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000365411881 446195393 /nfs/dbraw/zinc/19/53/93/446195393.db2.gz KWRGJIRJFOTIOE-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000365411881 446195396 /nfs/dbraw/zinc/19/53/96/446195396.db2.gz KWRGJIRJFOTIOE-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366407057 446197608 /nfs/dbraw/zinc/19/76/08/446197608.db2.gz DDKCXCZVUCNGHM-CABCVRRESA-N 1 3 329.448 1.304 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000366407057 446197612 /nfs/dbraw/zinc/19/76/12/446197612.db2.gz DDKCXCZVUCNGHM-CABCVRRESA-N 1 3 329.448 1.304 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000366521530 446247611 /nfs/dbraw/zinc/24/76/11/446247611.db2.gz ZDXDWYXJVUYQBK-ZWKOTPCHSA-N 1 3 347.528 1.905 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000366521530 446247613 /nfs/dbraw/zinc/24/76/13/446247613.db2.gz ZDXDWYXJVUYQBK-ZWKOTPCHSA-N 1 3 347.528 1.905 20 0 EDADHO CCN1CCCN(c2nc(C)nc(N3CCCN(CC)CC3)n2)CC1 ZINC000359520683 446273691 /nfs/dbraw/zinc/27/36/91/446273691.db2.gz AYGNTNMLTCIQNS-UHFFFAOYSA-N 1 3 347.511 1.244 20 0 EDADHO CCN1CCCN(c2nc(C)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000359520683 446273695 /nfs/dbraw/zinc/27/36/95/446273695.db2.gz AYGNTNMLTCIQNS-UHFFFAOYSA-N 1 3 347.511 1.244 20 0 EDADHO CCN1CCCN(c2nc(C)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000359520683 446273696 /nfs/dbraw/zinc/27/36/96/446273696.db2.gz AYGNTNMLTCIQNS-UHFFFAOYSA-N 1 3 347.511 1.244 20 0 EDADHO Cc1cc(NCC[NH2+]C2CCN(C3CCCC3)CC2)n2ncnc2n1 ZINC000362306291 446313740 /nfs/dbraw/zinc/31/37/40/446313740.db2.gz XRWIKLZLSOGBGM-UHFFFAOYSA-N 1 3 343.479 1.841 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417533472 446363125 /nfs/dbraw/zinc/36/31/25/446363125.db2.gz MSHOIHHKXZDOQH-XUWVNRHRSA-N 1 3 326.485 1.397 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417547840 446364344 /nfs/dbraw/zinc/36/43/44/446364344.db2.gz PIIWIGWXNDPYKV-GOEBONIOSA-N 1 3 340.512 1.693 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccccc1 ZINC000417953196 446398219 /nfs/dbraw/zinc/39/82/19/446398219.db2.gz ZBPFBIMTURDKFB-MJBXVCDLSA-N 1 3 326.391 1.714 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000418135218 446442408 /nfs/dbraw/zinc/44/24/08/446442408.db2.gz HRRZBRGOTPKYHK-ZWKOTPCHSA-N 1 3 346.475 1.185 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000418135218 446442412 /nfs/dbraw/zinc/44/24/12/446442412.db2.gz HRRZBRGOTPKYHK-ZWKOTPCHSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418178653 446448033 /nfs/dbraw/zinc/44/80/33/446448033.db2.gz ZAHYZBBKVQUVRG-RDTXWAMCSA-N 1 3 346.475 1.791 20 0 EDADHO C[C@H]([NH3+])C1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000420283990 446450422 /nfs/dbraw/zinc/45/04/22/446450422.db2.gz CFYUYCULYBGCLR-HNNXBMFYSA-N 1 3 339.505 1.507 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417986988 446407686 /nfs/dbraw/zinc/40/76/86/446407686.db2.gz HJZYSYQYEDQPGE-QGTPRVQTSA-N 1 3 346.475 1.180 20 0 EDADHO Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)no1 ZINC000420296076 446459743 /nfs/dbraw/zinc/45/97/43/446459743.db2.gz CZJHDUDZBSFOQU-SQNIBIBYSA-N 1 3 344.459 1.563 20 0 EDADHO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)no1 ZINC000420296076 446459744 /nfs/dbraw/zinc/45/97/44/446459744.db2.gz CZJHDUDZBSFOQU-SQNIBIBYSA-N 1 3 344.459 1.563 20 0 EDADHO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304351 446468672 /nfs/dbraw/zinc/46/86/72/446468672.db2.gz OFQSZJNSIURNPV-FHWLQOOXSA-N 1 3 347.503 1.402 20 0 EDADHO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420304351 446468678 /nfs/dbraw/zinc/46/86/78/446468678.db2.gz OFQSZJNSIURNPV-FHWLQOOXSA-N 1 3 347.503 1.402 20 0 EDADHO Cc1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313847 446477487 /nfs/dbraw/zinc/47/74/87/446477487.db2.gz JKNOJDXRVSGQEJ-WMZOPIPTSA-N 1 3 330.476 1.779 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286860 446484559 /nfs/dbraw/zinc/48/45/59/446484559.db2.gz SESPYVWKWFVXAP-INIZCTEOSA-N 1 3 339.528 1.363 20 0 EDADHO C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000423318052 446486205 /nfs/dbraw/zinc/48/62/05/446486205.db2.gz BXVAABSOIZWRKX-KSSFIOAISA-N 1 3 331.460 1.970 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNC(=O)NCCCNCc2cccnc2)C1 ZINC000418289881 446486629 /nfs/dbraw/zinc/48/66/29/446486629.db2.gz JWYJOWNPIQNJSK-MRXNPFEDSA-N 1 3 333.480 1.592 20 0 EDADHO C[N@H+]1CCC[C@H](CCNC(=O)NCCCNCc2cccnc2)C1 ZINC000418289881 446486635 /nfs/dbraw/zinc/48/66/35/446486635.db2.gz JWYJOWNPIQNJSK-MRXNPFEDSA-N 1 3 333.480 1.592 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000418330656 446502613 /nfs/dbraw/zinc/50/26/13/446502613.db2.gz QKXGDEIIFAKKFG-UHFFFAOYSA-N 1 3 345.491 1.831 20 0 EDADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000423366540 446502771 /nfs/dbraw/zinc/50/27/71/446502771.db2.gz XTGPUNJCUYEVMT-CJNGLKHVSA-N 1 3 332.448 1.903 20 0 EDADHO C[NH2+]CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418332291 446503977 /nfs/dbraw/zinc/50/39/77/446503977.db2.gz RDFVEDZGWGBYGG-IBGZPJMESA-N 1 3 330.476 1.904 20 0 EDADHO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)NC1CCN(C2CC2)CC1 ZINC000420336635 446506708 /nfs/dbraw/zinc/50/67/08/446506708.db2.gz MMOZNVUHOVHTDY-GOSISDBHSA-N 1 3 334.508 1.193 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000418366120 446515198 /nfs/dbraw/zinc/51/51/98/446515198.db2.gz XZCLAYSYURVNRX-KURKYZTESA-N 1 3 348.491 1.958 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000420331043 446500916 /nfs/dbraw/zinc/50/09/16/446500916.db2.gz BHZIJYLPJUOCQQ-HUUCEWRRSA-N 1 3 330.432 1.656 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370575 446517639 /nfs/dbraw/zinc/51/76/39/446517639.db2.gz ORTZEAGHYDPBRO-ROUUACIJSA-N 1 3 345.491 1.830 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000418391049 446525889 /nfs/dbraw/zinc/52/58/89/446525889.db2.gz PHAIPIOMSYEWDA-HNNXBMFYSA-N 1 3 333.480 1.795 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394986 446527424 /nfs/dbraw/zinc/52/74/24/446527424.db2.gz YFKNFBDHPFOVNP-IRXDYDNUSA-N 1 3 340.512 1.646 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](O)CN ZINC000420352780 446532041 /nfs/dbraw/zinc/53/20/41/446532041.db2.gz MTAWLDYRLJVHIL-MRXNPFEDSA-N 1 3 327.428 1.934 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](O)CN ZINC000420352780 446532045 /nfs/dbraw/zinc/53/20/45/446532045.db2.gz MTAWLDYRLJVHIL-MRXNPFEDSA-N 1 3 327.428 1.934 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)CCCN2CCC([NH3+])CC2)CC1 ZINC000433169380 446543288 /nfs/dbraw/zinc/54/32/88/446543288.db2.gz QZOKDOQIBBZWPT-UHFFFAOYSA-N 1 3 338.540 1.770 20 0 EDADHO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC1CC[NH2+]CC1 ZINC000420364012 446544035 /nfs/dbraw/zinc/54/40/35/446544035.db2.gz QIHXNBHFWVEJOM-ZDUSSCGKSA-N 1 3 325.478 1.717 20 0 EDADHO COc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423458088 446545283 /nfs/dbraw/zinc/54/52/83/446545283.db2.gz PQMDBQPRVAYWCP-CRFBAAHOSA-N 1 3 331.460 1.993 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418453353 446549056 /nfs/dbraw/zinc/54/90/56/446549056.db2.gz OZQQUWMLYDXLFH-SJORKVTESA-N 1 3 334.464 1.078 20 0 EDADHO CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418521289 446579831 /nfs/dbraw/zinc/57/98/31/446579831.db2.gz IGUYYTPPXCYPRG-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524298 446581743 /nfs/dbraw/zinc/58/17/43/446581743.db2.gz MZOIARKPISKXDZ-ZWKOTPCHSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418567932 446597812 /nfs/dbraw/zinc/59/78/12/446597812.db2.gz XCZITNIHAZOOFH-YJBOKZPZSA-N 1 3 334.464 1.002 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418660548 446638885 /nfs/dbraw/zinc/63/88/85/446638885.db2.gz NYLWBOAZYZQSEV-DLBZAZTESA-N 1 3 334.464 1.741 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418666733 446641838 /nfs/dbraw/zinc/64/18/38/446641838.db2.gz GMQLJIVOOHBKTF-ROUUACIJSA-N 1 3 348.491 1.613 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677917 446645367 /nfs/dbraw/zinc/64/53/67/446645367.db2.gz BMSUPGTWNFSVNV-NLWGTHIKSA-N 1 3 342.487 1.869 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000368113868 446649321 /nfs/dbraw/zinc/64/93/21/446649321.db2.gz UOLTXCRSOIXOIA-ZFWWWQNUSA-N 1 3 328.420 1.503 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418694865 446651857 /nfs/dbraw/zinc/65/18/57/446651857.db2.gz WNMGJBDCYCYDFP-QFBILLFUSA-N 1 3 348.491 1.392 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751842 446671038 /nfs/dbraw/zinc/67/10/38/446671038.db2.gz RZIUOLRBAKZKQX-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423742735 446673224 /nfs/dbraw/zinc/67/32/24/446673224.db2.gz JLKFKBFVMMUVEO-IBGZPJMESA-N 1 3 345.487 1.558 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418628352 446621431 /nfs/dbraw/zinc/62/14/31/446621431.db2.gz OWWSWPLYAUYXAB-GFCCVEGCSA-N 1 3 328.407 1.646 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423665422 446631592 /nfs/dbraw/zinc/63/15/92/446631592.db2.gz HJXWMSKPERXOID-RTBURBONSA-N 1 3 343.471 1.633 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000423665422 446631602 /nfs/dbraw/zinc/63/16/02/446631602.db2.gz HJXWMSKPERXOID-RTBURBONSA-N 1 3 343.471 1.633 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000423762561 446691232 /nfs/dbraw/zinc/69/12/32/446691232.db2.gz SRUCRCMZWHNDQH-SJORKVTESA-N 1 3 332.492 1.998 20 0 EDADHO CC(C)(CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000418827305 446734009 /nfs/dbraw/zinc/73/40/09/446734009.db2.gz DMXXZJJCBMKIQT-OAHLLOKOSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000418957347 446826514 /nfs/dbraw/zinc/82/65/14/446826514.db2.gz DNNCTTICLVMDMX-ODIFPOPNSA-N 1 3 346.475 1.009 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439401 446862848 /nfs/dbraw/zinc/86/28/48/446862848.db2.gz UKHWNWIDXSKQSF-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO OCC1(C[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000368444765 446866646 /nfs/dbraw/zinc/86/66/46/446866646.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 1 3 330.472 1.982 20 0 EDADHO OCC1(C[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)COC1 ZINC000368444765 446866649 /nfs/dbraw/zinc/86/66/49/446866649.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 1 3 330.472 1.982 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000419021522 446870817 /nfs/dbraw/zinc/87/08/17/446870817.db2.gz HALWTIFACLFCTJ-SOUVJXGZSA-N 1 3 340.512 1.103 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420906766 446881323 /nfs/dbraw/zinc/88/13/23/446881323.db2.gz DBAHSJQGTOWGKD-UYSNPLJNSA-N 1 3 326.485 1.269 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419148667 446964550 /nfs/dbraw/zinc/96/45/50/446964550.db2.gz DMNKDHNQHGFOBH-XHSDSOJGSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173649 446969998 /nfs/dbraw/zinc/96/99/98/446969998.db2.gz PJRIPSJUFMCEPZ-BRWVUGGUSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](NC(=O)N1CCCN(CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493776 447087013 /nfs/dbraw/zinc/08/70/13/447087013.db2.gz ABOWQLITUZCMCF-OAHLLOKOSA-N 1 3 342.528 1.451 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC[N@H+](C)C2CCCCC2)C1(C)C ZINC000444179168 447090613 /nfs/dbraw/zinc/09/06/13/447090613.db2.gz YLEWCYVVXWAGKT-YJBOKZPZSA-N 1 3 325.497 1.900 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC[N@@H+](C)C2CCCCC2)C1(C)C ZINC000444179168 447090616 /nfs/dbraw/zinc/09/06/16/447090616.db2.gz YLEWCYVVXWAGKT-YJBOKZPZSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000377559608 447204858 /nfs/dbraw/zinc/20/48/58/447204858.db2.gz CAWXTDCWTWOHIO-BPQIPLTHSA-N 1 3 330.476 1.798 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000455672926 447205945 /nfs/dbraw/zinc/20/59/45/447205945.db2.gz WIYCLOOBQKKDIS-UHFFFAOYSA-N 1 3 336.484 1.879 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455670018 447206326 /nfs/dbraw/zinc/20/63/26/447206326.db2.gz OXIGBZHYPUPBTB-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455670018 447206330 /nfs/dbraw/zinc/20/63/30/447206330.db2.gz OXIGBZHYPUPBTB-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419474502 447206927 /nfs/dbraw/zinc/20/69/27/447206927.db2.gz CAPDCMYXEGDQSM-MRXNPFEDSA-N 1 3 340.512 1.104 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419478405 447210777 /nfs/dbraw/zinc/21/07/77/447210777.db2.gz JOLWKXQAPUOTCS-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000419478405 447210783 /nfs/dbraw/zinc/21/07/83/447210783.db2.gz JOLWKXQAPUOTCS-CVEARBPZSA-N 1 3 338.496 1.097 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)CC1 ZINC000376040920 447229455 /nfs/dbraw/zinc/22/94/55/447229455.db2.gz CXMCAJJYSHOQRH-HOCLYGCPSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)CC1 ZINC000376040920 447229457 /nfs/dbraw/zinc/22/94/57/447229457.db2.gz CXMCAJJYSHOQRH-HOCLYGCPSA-N 1 3 346.479 1.898 20 0 EDADHO C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CCN(C)CC1 ZINC000376040706 447229686 /nfs/dbraw/zinc/22/96/86/447229686.db2.gz BSBYEJMEUNRCHD-AWEZNQCLSA-N 1 3 346.479 1.922 20 0 EDADHO COC1([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)CCCCC1 ZINC000421838080 447263133 /nfs/dbraw/zinc/26/31/33/447263133.db2.gz UTCZVVVZZBRGPJ-GOSISDBHSA-N 1 3 341.540 1.704 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647499 447453822 /nfs/dbraw/zinc/45/38/22/447453822.db2.gz KIGSTHPHEBPZCS-RLLQIKCJSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647499 447453829 /nfs/dbraw/zinc/45/38/29/447453829.db2.gz KIGSTHPHEBPZCS-RLLQIKCJSA-N 1 3 347.503 1.322 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419903066 447479376 /nfs/dbraw/zinc/47/93/76/447479376.db2.gz UVTSEXKTNRGLJF-CVEARBPZSA-N 1 3 340.512 1.071 20 0 EDADHO COCC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006661 447489603 /nfs/dbraw/zinc/48/96/03/447489603.db2.gz XAAXCNXMXKQFPV-AEFFLSMTSA-N 1 3 345.487 1.639 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390756742 447496358 /nfs/dbraw/zinc/49/63/58/447496358.db2.gz WVBGRFBASXFEKW-KRWDZBQOSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000426809939 447503493 /nfs/dbraw/zinc/50/34/93/447503493.db2.gz GWFROYDWKSTOKA-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390906468 447506029 /nfs/dbraw/zinc/50/60/29/447506029.db2.gz SCWXMADHZYPSPH-JQHSSLGASA-N 1 3 331.460 1.392 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000427292617 447575636 /nfs/dbraw/zinc/57/56/36/447575636.db2.gz SABABFXURKLSSI-LJQANCHMSA-N 1 3 344.503 1.310 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104267 447556603 /nfs/dbraw/zinc/55/66/03/447556603.db2.gz AZMFDAIWHKFNCB-APWZRJJASA-N 1 3 345.487 1.782 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852930 447696907 /nfs/dbraw/zinc/69/69/07/447696907.db2.gz SSYIEMXNZYVIIF-ICSRJNTNSA-N 1 3 344.503 1.944 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420216013 447674102 /nfs/dbraw/zinc/67/41/02/447674102.db2.gz WPXKWVYTPVUXNL-HOTGVXAUSA-N 1 3 340.512 1.056 20 0 EDADHO C[N@H+](CCCNC(=O)N[C@@H]1CNCCC1(F)F)C1CCCCC1 ZINC000417016214 447729617 /nfs/dbraw/zinc/72/96/17/447729617.db2.gz OAPIKIXHSUMTNZ-CQSZACIVSA-N 1 3 332.439 1.937 20 0 EDADHO C[N@@H+](CCCNC(=O)N[C@@H]1CNCCC1(F)F)C1CCCCC1 ZINC000417016214 447729620 /nfs/dbraw/zinc/72/96/20/447729620.db2.gz OAPIKIXHSUMTNZ-CQSZACIVSA-N 1 3 332.439 1.937 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844355 447767667 /nfs/dbraw/zinc/76/76/67/447767667.db2.gz LNUTUQGFDYJAKX-SJLPKXTDSA-N 1 3 330.476 1.442 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844355 447767671 /nfs/dbraw/zinc/76/76/71/447767671.db2.gz LNUTUQGFDYJAKX-SJLPKXTDSA-N 1 3 330.476 1.442 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422953146 447779436 /nfs/dbraw/zinc/77/94/36/447779436.db2.gz DLDYYEMFMPMUDV-GXTWGEPZSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953146 447779437 /nfs/dbraw/zinc/77/94/37/447779437.db2.gz DLDYYEMFMPMUDV-GXTWGEPZSA-N 1 3 340.265 1.896 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000430710270 447783576 /nfs/dbraw/zinc/78/35/76/447783576.db2.gz RYCOQNVVJGONKR-UHFFFAOYSA-N 1 3 346.475 1.113 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CN1CCc2ccccc2C1 ZINC000422969599 447784035 /nfs/dbraw/zinc/78/40/35/447784035.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 1 3 343.515 1.916 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798156 447786132 /nfs/dbraw/zinc/78/61/32/447786132.db2.gz SCFLUCLZZAPFTG-BBRMVZONSA-N 1 3 334.468 1.005 20 0 EDADHO OC[C@@H](CNC1CC[NH2+]CC1)Cc1ccccc1Br ZINC000423075650 447799845 /nfs/dbraw/zinc/79/98/45/447799845.db2.gz PDCYYMNCFFOTPZ-GFCCVEGCSA-N 1 3 327.266 1.942 20 0 EDADHO OC[C@@H](C[NH2+]C1CCNCC1)Cc1ccccc1Br ZINC000423075650 447799852 /nfs/dbraw/zinc/79/98/52/447799852.db2.gz PDCYYMNCFFOTPZ-GFCCVEGCSA-N 1 3 327.266 1.942 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000523005253 447867612 /nfs/dbraw/zinc/86/76/12/447867612.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCCN2CCN(C)CC2)C1 ZINC000523005253 447867614 /nfs/dbraw/zinc/86/76/14/447867614.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000570142707 447951674 /nfs/dbraw/zinc/95/16/74/447951674.db2.gz CPHUZPUKJWBYLB-OAHLLOKOSA-N 1 3 348.495 2.002 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000570142707 447951677 /nfs/dbraw/zinc/95/16/77/447951677.db2.gz CPHUZPUKJWBYLB-OAHLLOKOSA-N 1 3 348.495 2.002 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000569925806 447919506 /nfs/dbraw/zinc/91/95/06/447919506.db2.gz XWALLUBPYBNHEQ-FRQCXROJSA-N 1 3 335.492 1.510 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(O)CCCC3)CC2)CC1 ZINC000570736555 448056674 /nfs/dbraw/zinc/05/66/74/448056674.db2.gz FVUVTYXLRYBXCB-UHFFFAOYSA-N 1 3 337.508 1.604 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000576611665 448098097 /nfs/dbraw/zinc/09/80/97/448098097.db2.gz WYBCEFQGENFJKO-YJBOKZPZSA-N 1 3 330.476 1.905 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000576611665 448098103 /nfs/dbraw/zinc/09/81/03/448098103.db2.gz WYBCEFQGENFJKO-YJBOKZPZSA-N 1 3 330.476 1.905 20 0 EDADHO CCN1CCC[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000502749774 448104429 /nfs/dbraw/zinc/10/44/29/448104429.db2.gz JUNLBTGBXCYLAA-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184414 448121842 /nfs/dbraw/zinc/12/18/42/448121842.db2.gz YFYSKNPDVKKYGC-MSOLQXFVSA-N 1 3 346.475 1.329 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000526975134 448128832 /nfs/dbraw/zinc/12/88/32/448128832.db2.gz JMKVSFLJPWQTQY-CQSZACIVSA-N 1 3 347.463 1.405 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000526975134 448128836 /nfs/dbraw/zinc/12/88/36/448128836.db2.gz JMKVSFLJPWQTQY-CQSZACIVSA-N 1 3 347.463 1.405 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055629 448249551 /nfs/dbraw/zinc/24/95/51/448249551.db2.gz ZBTAIEBXUZEAPH-WMZOPIPTSA-N 1 3 349.475 1.706 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000577473924 448304338 /nfs/dbraw/zinc/30/43/38/448304338.db2.gz BNAFETVWRUZMLE-NJAFHUGGSA-N 1 3 346.475 1.500 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000515546540 448329114 /nfs/dbraw/zinc/32/91/14/448329114.db2.gz GUHIVRDURAJWFJ-UHFFFAOYSA-N 1 3 333.480 2.209 20 0 EDADHO CN1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000572585176 448414307 /nfs/dbraw/zinc/41/43/07/448414307.db2.gz KCLVMOOWCKSOKF-ZWKOTPCHSA-N 1 3 345.491 1.108 20 0 EDADHO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000516653806 448458174 /nfs/dbraw/zinc/45/81/74/448458174.db2.gz WPFREIDWHHXPFZ-LPHOPBHVSA-N 1 3 344.503 1.438 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000584464561 448535744 /nfs/dbraw/zinc/53/57/44/448535744.db2.gz YJECSHVDEABFGU-YJBOKZPZSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000584464561 448535748 /nfs/dbraw/zinc/53/57/48/448535748.db2.gz YJECSHVDEABFGU-YJBOKZPZSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000584464561 448535754 /nfs/dbraw/zinc/53/57/54/448535754.db2.gz YJECSHVDEABFGU-YJBOKZPZSA-N 1 3 332.444 1.703 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584518312 448553859 /nfs/dbraw/zinc/55/38/59/448553859.db2.gz IRAQTACSRZARSQ-INIZCTEOSA-N 1 3 330.432 1.871 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923767 448587326 /nfs/dbraw/zinc/58/73/26/448587326.db2.gz JZRJYPQICQTJAD-ZBFHGGJFSA-N 1 3 325.522 1.757 20 0 EDADHO CN(C)CCn1nccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584664507 448592217 /nfs/dbraw/zinc/59/22/17/448592217.db2.gz HVMYRFLYEPCAMJ-KRWDZBQOSA-N 1 3 341.459 1.905 20 0 EDADHO CN(C)CCn1nccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584664507 448592219 /nfs/dbraw/zinc/59/22/19/448592219.db2.gz HVMYRFLYEPCAMJ-KRWDZBQOSA-N 1 3 341.459 1.905 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000517932223 448631363 /nfs/dbraw/zinc/63/13/63/448631363.db2.gz HVZSFUZNJLWJBH-UHFFFAOYSA-N 1 3 337.472 1.055 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)nc1 ZINC000542908654 448730958 /nfs/dbraw/zinc/73/09/58/448730958.db2.gz UJLUIWNNEFRWKY-UHFFFAOYSA-N 1 3 348.491 1.968 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529291541 448810317 /nfs/dbraw/zinc/81/03/17/448810317.db2.gz YVHNTDWHVNSFJA-QGZVFWFLSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296973 448811923 /nfs/dbraw/zinc/81/19/23/448811923.db2.gz HAXVPCYKEASXFU-WBVHZDCISA-N 1 3 346.475 1.629 20 0 EDADHO COCCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519694033 448820375 /nfs/dbraw/zinc/82/03/75/448820375.db2.gz RHVHNZZDZKFPIY-OAHLLOKOSA-N 1 3 334.420 1.011 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000519694033 448820379 /nfs/dbraw/zinc/82/03/79/448820379.db2.gz RHVHNZZDZKFPIY-OAHLLOKOSA-N 1 3 334.420 1.011 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CNCCO3)C1 ZINC000519694033 448820382 /nfs/dbraw/zinc/82/03/82/448820382.db2.gz RHVHNZZDZKFPIY-OAHLLOKOSA-N 1 3 334.420 1.011 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000568163646 448826148 /nfs/dbraw/zinc/82/61/48/448826148.db2.gz KNSJCJLTTPDADT-JFIYKMOQSA-N 1 3 337.508 1.724 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592450723 448844344 /nfs/dbraw/zinc/84/43/44/448844344.db2.gz WNJHOLJLCUIFMR-SWLSCSKDSA-N 1 3 343.431 1.158 20 0 EDADHO CC[C@H]1CN(CCC(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000592489687 448860650 /nfs/dbraw/zinc/86/06/50/448860650.db2.gz ZQNDKOKUDFLDTE-JKSUJKDBSA-N 1 3 332.448 1.462 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880153 448935650 /nfs/dbraw/zinc/93/56/50/448935650.db2.gz NOQRAOBZOOUIPI-IEBWSBKVSA-N 1 3 348.487 1.609 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000568880153 448935652 /nfs/dbraw/zinc/93/56/52/448935652.db2.gz NOQRAOBZOOUIPI-IEBWSBKVSA-N 1 3 348.487 1.609 20 0 EDADHO COCCN(C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574647787 448925057 /nfs/dbraw/zinc/92/50/57/448925057.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 1 3 327.513 1.168 20 0 EDADHO COCCN(C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574647787 448925062 /nfs/dbraw/zinc/92/50/62/448925062.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 1 3 327.513 1.168 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000574504371 448888367 /nfs/dbraw/zinc/88/83/67/448888367.db2.gz CXQUXPQAJDVKJU-YJBOKZPZSA-N 1 3 330.476 1.905 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2NCCc3ccccc32)C1 ZINC000574504371 448888370 /nfs/dbraw/zinc/88/83/70/448888370.db2.gz CXQUXPQAJDVKJU-YJBOKZPZSA-N 1 3 330.476 1.905 20 0 EDADHO CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CN2CCC1CC2 ZINC000520372329 448889423 /nfs/dbraw/zinc/88/94/23/448889423.db2.gz KKFNPKFWUOMVBR-RBUKOAKNSA-N 1 3 342.487 1.846 20 0 EDADHO CN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CN2CCC1CC2 ZINC000520372329 448889429 /nfs/dbraw/zinc/88/94/29/448889429.db2.gz KKFNPKFWUOMVBR-RBUKOAKNSA-N 1 3 342.487 1.846 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N1CCCC1 ZINC000582050017 448997181 /nfs/dbraw/zinc/99/71/81/448997181.db2.gz NAXGWGBWDAHITL-GFCCVEGCSA-N 1 3 348.422 1.010 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000592958490 449081394 /nfs/dbraw/zinc/08/13/94/449081394.db2.gz ZOPGPTAPLGZHRL-DLBZAZTESA-N 1 3 347.459 1.610 20 0 EDADHO COC(=O)c1oc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1C ZINC000600090776 449183435 /nfs/dbraw/zinc/18/34/35/449183435.db2.gz WQZPHUDYCFTBSC-ZDUSSCGKSA-N 1 3 339.436 1.376 20 0 EDADHO COC(=O)c1oc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1C ZINC000600090776 449183441 /nfs/dbraw/zinc/18/34/41/449183441.db2.gz WQZPHUDYCFTBSC-ZDUSSCGKSA-N 1 3 339.436 1.376 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000604188306 449189507 /nfs/dbraw/zinc/18/95/07/449189507.db2.gz VEHQTLCNPYORQD-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000600188233 449233364 /nfs/dbraw/zinc/23/33/64/449233364.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO CC(C)OC(=O)CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911982 449249060 /nfs/dbraw/zinc/24/90/60/449249060.db2.gz VVBOWTDASCQZMH-HNNXBMFYSA-N 1 3 349.479 1.340 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604638443 449265430 /nfs/dbraw/zinc/26/54/30/449265430.db2.gz IXUSERYRNURVST-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO COC(=O)C1CC[NH+](CCCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC000602063373 449314095 /nfs/dbraw/zinc/31/40/95/449314095.db2.gz GSRYAISWKNZDCP-UHFFFAOYSA-N 1 3 341.496 1.356 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000594694456 449628543 /nfs/dbraw/zinc/62/85/43/449628543.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 1 3 342.487 1.894 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000594694456 449628545 /nfs/dbraw/zinc/62/85/45/449628545.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 1 3 342.487 1.894 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccccc1F ZINC000617504023 449645987 /nfs/dbraw/zinc/64/59/87/449645987.db2.gz FOZRPPPXBDZXER-GJZGRUSLSA-N 1 3 339.455 1.981 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Oc1ccccc1F ZINC000617504023 449645990 /nfs/dbraw/zinc/64/59/90/449645990.db2.gz FOZRPPPXBDZXER-GJZGRUSLSA-N 1 3 339.455 1.981 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)NC1CCN(CCO)CC1)C1CCCCC1 ZINC000601244284 449771110 /nfs/dbraw/zinc/77/11/10/449771110.db2.gz MANJJRZRRWOPDV-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000594942605 449814481 /nfs/dbraw/zinc/81/44/81/449814481.db2.gz KEMMAIZUJVQHRL-BNEJOLLZSA-N 1 3 332.444 1.540 20 0 EDADHO CCOC(=O)C[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000599347046 449910603 /nfs/dbraw/zinc/91/06/03/449910603.db2.gz QQOQHSUJHMQDNA-SFHVURJKSA-N 1 3 349.475 1.934 20 0 EDADHO CCOC(=O)C[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000599347046 449910606 /nfs/dbraw/zinc/91/06/06/449910606.db2.gz QQOQHSUJHMQDNA-SFHVURJKSA-N 1 3 349.475 1.934 20 0 EDADHO C[C@]1(NC(=O)NC2CCN(CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000612864543 449916620 /nfs/dbraw/zinc/91/66/20/449916620.db2.gz DROYHTLOCUBGFV-IBGZPJMESA-N 1 3 330.476 1.745 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000618551867 450240328 /nfs/dbraw/zinc/24/03/28/450240328.db2.gz NGVUQVHSANPWKQ-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO CC[C@@H](C(=O)N[C@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000616783549 450483969 /nfs/dbraw/zinc/48/39/69/450483969.db2.gz DEKJEZUWPCLMGN-FZKCQIBNSA-N 1 3 340.512 1.210 20 0 EDADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000616783549 450483974 /nfs/dbraw/zinc/48/39/74/450483974.db2.gz DEKJEZUWPCLMGN-FZKCQIBNSA-N 1 3 340.512 1.210 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000623716160 450571133 /nfs/dbraw/zinc/57/11/33/450571133.db2.gz HRBJCBRWKATKDU-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000625976035 450547004 /nfs/dbraw/zinc/54/70/04/450547004.db2.gz LTYFWNSQXRIYPR-CDSLXBQBSA-N 1 3 333.476 1.807 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074212 450659249 /nfs/dbraw/zinc/65/92/49/450659249.db2.gz MRKWQMVFPACREU-GOSISDBHSA-N 1 3 330.476 1.963 20 0 EDADHO c1nnc2ccc(N3CC[C@H](N[C@@H]4CCC[C@H]4[C@@H]4CCC[NH2+]4)C3)nn12 ZINC000629523956 450725240 /nfs/dbraw/zinc/72/52/40/450725240.db2.gz OPDHXBRDXHBSON-YHUYYLMFSA-N 1 3 341.463 1.213 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)[C@@H](C)C1 ZINC000631746065 450747899 /nfs/dbraw/zinc/74/78/99/450747899.db2.gz BDHDVCZXDYSYQD-DOTOQJQBSA-N 1 3 333.480 1.392 20 0 EDADHO COC1(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647826 450770546 /nfs/dbraw/zinc/77/05/46/450770546.db2.gz BIIIWTDEHGVGMP-HOTGVXAUSA-N 1 3 336.480 1.166 20 0 EDADHO COc1ccc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1F ZINC000629672472 450777408 /nfs/dbraw/zinc/77/74/08/450777408.db2.gz OOUJJFPZZGKMOX-ZBFHGGJFSA-N 1 3 349.450 1.821 20 0 EDADHO COc1ccc([C@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)cc1F ZINC000629672472 450777416 /nfs/dbraw/zinc/77/74/16/450777416.db2.gz OOUJJFPZZGKMOX-ZBFHGGJFSA-N 1 3 349.450 1.821 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000621668400 450824721 /nfs/dbraw/zinc/82/47/21/450824721.db2.gz DOBUXUUJAXJNCH-QFBILLFUSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000631813807 450792690 /nfs/dbraw/zinc/79/26/90/450792690.db2.gz ZMXZMIICCRUFSH-MRXNPFEDSA-N 1 3 331.526 1.512 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798719 /nfs/dbraw/zinc/79/87/19/450798719.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798722 /nfs/dbraw/zinc/79/87/22/450798722.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798726 /nfs/dbraw/zinc/79/87/26/450798726.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 1 3 343.515 1.943 20 0 EDADHO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)CCCN1CCCC1)CCO2 ZINC000631957863 450915399 /nfs/dbraw/zinc/91/53/99/450915399.db2.gz BOCPEDYWINZCCP-UHFFFAOYSA-N 1 3 339.461 1.160 20 0 EDADHO Cc1cc(C2(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)CC2)on1 ZINC000635459536 450958752 /nfs/dbraw/zinc/95/87/52/450958752.db2.gz ZZTNZZPFYHTYEU-UHFFFAOYSA-N 1 3 346.475 1.689 20 0 EDADHO C[C@@](O)(C[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043808 450977403 /nfs/dbraw/zinc/97/74/03/450977403.db2.gz YFLQDJMCNRDHCD-PKOBYXMFSA-N 1 3 340.508 1.475 20 0 EDADHO CN(CCCNC(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000626925686 451008849 /nfs/dbraw/zinc/00/88/49/451008849.db2.gz PIIBIPZFEMUWPW-UHFFFAOYSA-N 1 3 334.464 1.316 20 0 EDADHO [NH3+]C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCOCC1 ZINC000626934556 451016418 /nfs/dbraw/zinc/01/64/18/451016418.db2.gz IEZFYHHGJDLBQG-KRWDZBQOSA-N 1 3 346.475 1.631 20 0 EDADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635525495 451023449 /nfs/dbraw/zinc/02/34/49/451023449.db2.gz IEXDSBMPPKGACV-FGTMMUONSA-N 1 3 328.460 1.969 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000626970548 451042305 /nfs/dbraw/zinc/04/23/05/451042305.db2.gz PBDCIYITEFQXHG-KBXCAEBGSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000626993317 451058402 /nfs/dbraw/zinc/05/84/02/451058402.db2.gz FHBOQQAABPVGCO-SJLPKXTDSA-N 1 3 348.491 1.562 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000626994797 451060886 /nfs/dbraw/zinc/06/08/86/451060886.db2.gz KBGDJJOUOQKAOX-FUHWJXTLSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CN1C1CC1 ZINC000626996864 451062552 /nfs/dbraw/zinc/06/25/52/451062552.db2.gz HGIVZZXXKBGCAU-NMKXLXIOSA-N 1 3 348.413 1.780 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000626999070 451064123 /nfs/dbraw/zinc/06/41/23/451064123.db2.gz WFGMJIILLDHFNS-DOTOQJQBSA-N 1 3 346.475 1.457 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034432 451093243 /nfs/dbraw/zinc/09/32/43/451093243.db2.gz GOVWGIHYDHXFMI-UONOGXRCSA-N 1 3 338.452 1.516 20 0 EDADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCOCC1 ZINC000626979231 451046832 /nfs/dbraw/zinc/04/68/32/451046832.db2.gz UMJIYXFGGHZHSG-KRWDZBQOSA-N 1 3 346.475 1.458 20 0 EDADHO NC[C@@H](NC(=O)NCCOCCC[NH3+])c1ccc2ccccc2c1 ZINC000627083115 451115696 /nfs/dbraw/zinc/11/56/96/451115696.db2.gz PRRUYRDHBAMEMI-QGZVFWFLSA-N 1 3 330.432 1.504 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133558 451142687 /nfs/dbraw/zinc/14/26/87/451142687.db2.gz JUOSSPXCZJJTHK-INIZCTEOSA-N 1 3 331.464 1.439 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCOC1 ZINC000638118191 451287213 /nfs/dbraw/zinc/28/72/13/451287213.db2.gz QOROXMICMHJFIF-MJGOQNOKSA-N 1 3 331.460 1.523 20 0 EDADHO CN1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000638121386 451290102 /nfs/dbraw/zinc/29/01/02/451290102.db2.gz FMYOYOIWSIGKCE-PBHICJAKSA-N 1 3 336.505 1.152 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](N)c2cccc(OC)c2)CC1 ZINC000638137204 451310952 /nfs/dbraw/zinc/31/09/52/451310952.db2.gz GWFLYROVPFKZKH-CRAIPNDOSA-N 1 3 348.491 1.085 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)[C@H](N)c2cccc(OC)c2)CC1 ZINC000638138211 451312348 /nfs/dbraw/zinc/31/23/48/451312348.db2.gz XWYULVCYKLAUAR-GOSISDBHSA-N 1 3 348.491 1.229 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635839311 451287909 /nfs/dbraw/zinc/28/79/09/451287909.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635839311 451287912 /nfs/dbraw/zinc/28/79/12/451287912.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253119 451383368 /nfs/dbraw/zinc/38/33/68/451383368.db2.gz YUQHMTMSRGWVGI-JKSUJKDBSA-N 1 3 333.480 1.297 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000638273963 451393825 /nfs/dbraw/zinc/39/38/25/451393825.db2.gz DUDIXYJNXYUTFA-CTWPCTMYSA-N 1 3 346.519 1.682 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367792 451464972 /nfs/dbraw/zinc/46/49/72/451464972.db2.gz HLTFAFNTDLQNKK-IRXDYDNUSA-N 1 3 330.476 1.237 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700553 451473953 /nfs/dbraw/zinc/47/39/53/451473953.db2.gz BKCFJVMKGHPGKZ-RBUKOAKNSA-N 1 3 339.524 1.047 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700553 451473958 /nfs/dbraw/zinc/47/39/58/451473958.db2.gz BKCFJVMKGHPGKZ-RBUKOAKNSA-N 1 3 339.524 1.047 20 0 EDADHO O[C@@]1(CNCCOC[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704570 451481432 /nfs/dbraw/zinc/48/14/32/451481432.db2.gz MFAMGWGPGUDECO-RTBURBONSA-N 1 3 334.460 1.409 20 0 EDADHO O[C@@]1(CNCCOC[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704570 451481435 /nfs/dbraw/zinc/48/14/35/451481435.db2.gz MFAMGWGPGUDECO-RTBURBONSA-N 1 3 334.460 1.409 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423165 451507347 /nfs/dbraw/zinc/50/73/47/451507347.db2.gz PXEAKJCHANSLOS-BHIYHBOVSA-N 1 3 346.519 1.812 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000640758938 451557456 /nfs/dbraw/zinc/55/74/56/451557456.db2.gz KOWXTCDVNXSLCI-SFHVURJKSA-N 1 3 328.460 1.822 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000638591389 451594018 /nfs/dbraw/zinc/59/40/18/451594018.db2.gz HKCMJDYPXFKEGV-UHFFFAOYSA-N 1 3 347.503 1.983 20 0 EDADHO CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(=O)NCCN(C)C ZINC000638818777 451700589 /nfs/dbraw/zinc/70/05/89/451700589.db2.gz SZPYHKCNMFQJAF-OAGGEKHMSA-N 1 3 340.512 1.116 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000632961051 451670126 /nfs/dbraw/zinc/67/01/26/451670126.db2.gz NODMKRMERLGNPK-UONOGXRCSA-N 1 3 334.468 1.741 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn2)CC1 ZINC000632961479 451670532 /nfs/dbraw/zinc/67/05/32/451670532.db2.gz RKCAEQIDXYASCL-KSSFIOAISA-N 1 3 346.479 1.743 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC(CC)([NH+](C)C)CC2)C1(C)C ZINC000638976112 451744414 /nfs/dbraw/zinc/74/44/14/451744414.db2.gz UCCANMACRCPBHB-RDTXWAMCSA-N 1 3 325.497 1.852 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207525 451756293 /nfs/dbraw/zinc/75/62/93/451756293.db2.gz YZOVHVYBXYWXBW-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H](OC)[C@H]1CCOC1 ZINC000639170835 451784255 /nfs/dbraw/zinc/78/42/55/451784255.db2.gz HZYUJRZRGYSISA-KSZLIROESA-N 1 3 327.513 1.386 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H](OC)[C@H]1CCOC1 ZINC000639170835 451784258 /nfs/dbraw/zinc/78/42/58/451784258.db2.gz HZYUJRZRGYSISA-KSZLIROESA-N 1 3 327.513 1.386 20 0 EDADHO O[C@@]1(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CCN(Cc2ccccc2)C1 ZINC000641230789 451791817 /nfs/dbraw/zinc/79/18/17/451791817.db2.gz UITJSOMPKWTZHB-HKUYNNGSSA-N 1 3 341.459 1.067 20 0 EDADHO NS(=O)(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)o1 ZINC000639334993 451832281 /nfs/dbraw/zinc/83/22/81/451832281.db2.gz LDCIMAQNVSFTDX-UHFFFAOYSA-N 1 3 327.450 1.139 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000644562129 451863180 /nfs/dbraw/zinc/86/31/80/451863180.db2.gz XGGLXZDYUXYZIQ-UYAOXDASSA-N 1 3 347.503 1.322 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3)C2)CC1 ZINC000644561708 451863333 /nfs/dbraw/zinc/86/33/33/451863333.db2.gz FIHMLPBRBSIGNJ-WMZOPIPTSA-N 1 3 333.476 1.184 20 0 EDADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562015 451863496 /nfs/dbraw/zinc/86/34/96/451863496.db2.gz NZXAFSVMUQNVFT-KPFFTGBYSA-N 1 3 331.504 1.909 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645009 451905429 /nfs/dbraw/zinc/90/54/29/451905429.db2.gz AHJATPHZWPEEOY-OAHLLOKOSA-N 1 3 338.496 1.097 20 0 EDADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942349 /nfs/dbraw/zinc/94/23/49/451942349.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 1 3 328.460 1.456 20 0 EDADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942356 /nfs/dbraw/zinc/94/23/56/451942356.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 1 3 328.460 1.456 20 0 EDADHO CN1CC[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281578 451954433 /nfs/dbraw/zinc/95/44/33/451954433.db2.gz UKEBNSRESMOIIR-IBGZPJMESA-N 1 3 330.476 1.322 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589600 451961224 /nfs/dbraw/zinc/96/12/24/451961224.db2.gz POKRCUPZCBCQOM-BPQIPLTHSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(N)CCN(C)C2)cc1 ZINC000649290797 451965775 /nfs/dbraw/zinc/96/57/75/451965775.db2.gz SZFRORKFKCZGFY-LJQANCHMSA-N 1 3 348.491 1.056 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000649295391 451970429 /nfs/dbraw/zinc/97/04/29/451970429.db2.gz GUVMMHDKRNJUSM-MRXNPFEDSA-N 1 3 342.447 1.907 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340982 452021593 /nfs/dbraw/zinc/02/15/93/452021593.db2.gz FHXHIPYPGWFRTK-IIAWOOMASA-N 1 3 337.489 1.483 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682102 452021838 /nfs/dbraw/zinc/02/18/38/452021838.db2.gz KSCGGKVSOMKHRW-ROUUACIJSA-N 1 3 335.448 1.150 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342544 452023589 /nfs/dbraw/zinc/02/35/89/452023589.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 1 3 333.476 1.487 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342544 452023595 /nfs/dbraw/zinc/02/35/95/452023595.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 1 3 333.476 1.487 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000649342544 452023599 /nfs/dbraw/zinc/02/35/99/452023599.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 1 3 333.476 1.487 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000649342544 452023606 /nfs/dbraw/zinc/02/36/06/452023606.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 1 3 333.476 1.487 20 0 EDADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606636 452038095 /nfs/dbraw/zinc/03/80/95/452038095.db2.gz VYUHORIHTRDYPV-BEFAXECRSA-N 1 3 346.475 1.770 20 0 EDADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606636 452038102 /nfs/dbraw/zinc/03/81/02/452038102.db2.gz VYUHORIHTRDYPV-BEFAXECRSA-N 1 3 346.475 1.770 20 0 EDADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417784 452079295 /nfs/dbraw/zinc/07/92/95/452079295.db2.gz GZVRWKKOUYCIOE-DLBZAZTESA-N 1 3 333.480 1.090 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000637825771 452103556 /nfs/dbraw/zinc/10/35/56/452103556.db2.gz YGPTUOJUOSAYRB-CQSZACIVSA-N 1 3 345.447 1.128 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)n1 ZINC000654005949 452200515 /nfs/dbraw/zinc/20/05/15/452200515.db2.gz BMHOXXVCGNNJPP-LSDHHAIUSA-N 1 3 334.468 1.583 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000641779435 452249968 /nfs/dbraw/zinc/24/99/68/452249968.db2.gz HDOOVYVMZAMSJI-WMZOPIPTSA-N 1 3 328.460 1.753 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000659434032 452279707 /nfs/dbraw/zinc/27/97/07/452279707.db2.gz IKUILQONGPUBQI-KZNAEPCWSA-N 1 3 348.466 1.904 20 0 EDADHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458135 452311312 /nfs/dbraw/zinc/31/13/12/452311312.db2.gz PKXVKTXZTFGFSV-ROUUACIJSA-N 1 3 334.508 1.892 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049006 452318074 /nfs/dbraw/zinc/31/80/74/452318074.db2.gz RKMHGXSKJQFMCG-RBUKOAKNSA-N 1 3 341.455 1.984 20 0 EDADHO CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757530 452324246 /nfs/dbraw/zinc/32/42/46/452324246.db2.gz MWYTVNCBYYPPJP-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757530 452324258 /nfs/dbraw/zinc/32/42/58/452324258.db2.gz MWYTVNCBYYPPJP-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO COC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757717 452324862 /nfs/dbraw/zinc/32/48/62/452324862.db2.gz UJBUIHHYPJXGIU-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO COC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757717 452324866 /nfs/dbraw/zinc/32/48/66/452324866.db2.gz UJBUIHHYPJXGIU-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CN1CCN(c2ncc(C[NH2+][C@H]3CCN(C(C)(C)C)C3)cn2)CC1 ZINC000657562309 452336511 /nfs/dbraw/zinc/33/65/11/452336511.db2.gz MWQLAOYXEYEUCH-INIZCTEOSA-N 1 3 332.496 1.191 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645362660 452339185 /nfs/dbraw/zinc/33/91/85/452339185.db2.gz MWYRHAFAPFNXNC-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO COCCCN(C)CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652159199 452353576 /nfs/dbraw/zinc/35/35/76/452353576.db2.gz SYFFKHJUCPFQIH-UHFFFAOYSA-N 1 3 326.416 1.052 20 0 EDADHO CC(C)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)[NH+]1CCC(C)CC1 ZINC000663619525 452353698 /nfs/dbraw/zinc/35/36/98/452353698.db2.gz ITHWMKLLWLVJAO-ULQDDVLXSA-N 1 3 340.512 1.059 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638062556 452356939 /nfs/dbraw/zinc/35/69/39/452356939.db2.gz GKEGUQROZSLIHU-MRXNPFEDSA-N 1 3 330.476 1.762 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638062556 452356952 /nfs/dbraw/zinc/35/69/52/452356952.db2.gz GKEGUQROZSLIHU-MRXNPFEDSA-N 1 3 330.476 1.762 20 0 EDADHO COCCN1CC[C@H]([NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000657595201 452362767 /nfs/dbraw/zinc/36/27/67/452362767.db2.gz FVHGWLKMCUJRDV-RBUKOAKNSA-N 1 3 333.476 1.064 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000638068181 452375046 /nfs/dbraw/zinc/37/50/46/452375046.db2.gz HJXUPXJVQOPOQL-RDJZCZTQSA-N 1 3 337.489 1.119 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535852 452396752 /nfs/dbraw/zinc/39/67/52/452396752.db2.gz LGJGJSCBZQILNH-MSOLQXFVSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659538114 452397529 /nfs/dbraw/zinc/39/75/29/452397529.db2.gz VTCHOWRLBAFFOK-ZTFGCOKTSA-N 1 3 346.475 1.050 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659554947 452411812 /nfs/dbraw/zinc/41/18/12/452411812.db2.gz XKLPLAFQFDIMJL-WMLDXEAASA-N 1 3 334.464 1.180 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576210 452430272 /nfs/dbraw/zinc/43/02/72/452430272.db2.gz GBFWCFGVJKBSFG-RCCFBDPRSA-N 1 3 330.476 1.868 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645509481 452477127 /nfs/dbraw/zinc/47/71/27/452477127.db2.gz FTDWINJYWDGQFV-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645509481 452477135 /nfs/dbraw/zinc/47/71/35/452477135.db2.gz FTDWINJYWDGQFV-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCO2 ZINC000645528122 452498034 /nfs/dbraw/zinc/49/80/34/452498034.db2.gz PIZHFKCQDPQUNZ-MQVJKMGUSA-N 1 3 336.480 1.118 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CCO2 ZINC000645528122 452498043 /nfs/dbraw/zinc/49/80/43/452498043.db2.gz PIZHFKCQDPQUNZ-MQVJKMGUSA-N 1 3 336.480 1.118 20 0 EDADHO O=S(=O)(NC1CC1)c1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000652340646 452511192 /nfs/dbraw/zinc/51/11/92/452511192.db2.gz AJYNKWFTKHIXKC-UHFFFAOYSA-N 1 3 349.500 1.703 20 0 EDADHO Cc1csc(=O)n1CCN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362006 452544737 /nfs/dbraw/zinc/54/47/37/452544737.db2.gz VMRSKOQMRUPOQQ-KFWWJZLASA-N 1 3 325.478 1.579 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657836137 452558351 /nfs/dbraw/zinc/55/83/51/452558351.db2.gz YZNOIWYWFBHXGQ-GOSISDBHSA-N 1 3 327.513 1.435 20 0 EDADHO CC(C)[C@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000647824909 452559337 /nfs/dbraw/zinc/55/93/37/452559337.db2.gz DNNORVWGLAMSOV-GOSISDBHSA-N 1 3 336.524 1.203 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659721663 452612525 /nfs/dbraw/zinc/61/25/25/452612525.db2.gz BRQOSUJWRIYQOT-CQSZACIVSA-N 1 3 338.496 1.143 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659725521 452619002 /nfs/dbraw/zinc/61/90/02/452619002.db2.gz XUXDDJXDFMDULQ-CZUORRHYSA-N 1 3 346.475 1.312 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655911706 452668267 /nfs/dbraw/zinc/66/82/67/452668267.db2.gz LWPMGUHUOJOULV-UPJWGTAASA-N 1 3 338.418 1.933 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702200 /nfs/dbraw/zinc/70/22/00/452702200.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 1 3 338.496 1.365 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702204 /nfs/dbraw/zinc/70/22/04/452702204.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 1 3 338.496 1.365 20 0 EDADHO O=c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977041 452720438 /nfs/dbraw/zinc/72/04/38/452720438.db2.gz XJLOMECRZVKEGY-ZIAGYGMSSA-N 1 3 332.473 1.968 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718631 452720539 /nfs/dbraw/zinc/72/05/39/452720539.db2.gz QYNVZLKOODWRAO-FZKCQIBNSA-N 1 3 348.495 1.126 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978620 452722888 /nfs/dbraw/zinc/72/28/88/452722888.db2.gz WAZIHFQLTIUNEB-MSOLQXFVSA-N 1 3 339.524 1.877 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)C[C@H]2N)cn1 ZINC000643846310 452737080 /nfs/dbraw/zinc/73/70/80/452737080.db2.gz PLECJVCMYVANGW-OKZBNKHCSA-N 1 3 347.507 1.751 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655959192 452738997 /nfs/dbraw/zinc/73/89/97/452738997.db2.gz QQABMBLKQBMDAC-IRXDYDNUSA-N 1 3 344.459 1.525 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658139084 452746168 /nfs/dbraw/zinc/74/61/68/452746168.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 1 3 329.488 1.826 20 0 EDADHO CC1(C)CN[C@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119180 452835538 /nfs/dbraw/zinc/83/55/38/452835538.db2.gz XGBNFLFWLQJHTD-JSGCOSHPSA-N 1 3 334.489 1.612 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1scc2c1OCCO2 ZINC000654733001 452852774 /nfs/dbraw/zinc/85/27/74/452852774.db2.gz LIOCWSGLWRMYHJ-UHFFFAOYSA-N 1 3 327.450 1.085 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000648178085 452889703 /nfs/dbraw/zinc/88/97/03/452889703.db2.gz PQUQBVKTXBJPLT-RCCFBDPRSA-N 1 3 331.460 1.301 20 0 EDADHO C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654774010 452906101 /nfs/dbraw/zinc/90/61/01/452906101.db2.gz RBMIQSZFXCWTTA-RHSMWYFYSA-N 1 3 333.480 1.215 20 0 EDADHO C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654774010 452906106 /nfs/dbraw/zinc/90/61/06/452906106.db2.gz RBMIQSZFXCWTTA-RHSMWYFYSA-N 1 3 333.480 1.215 20 0 EDADHO O=C(Nc1ccccc1)NC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254195 452983225 /nfs/dbraw/zinc/98/32/25/452983225.db2.gz NTKMVMYAUDLUGH-KRWDZBQOSA-N 1 3 344.459 1.794 20 0 EDADHO Cc1cc(C(=O)NC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)o1 ZINC000662255117 452983254 /nfs/dbraw/zinc/98/32/54/452983254.db2.gz AATOTMWSQSLOEN-MRXNPFEDSA-N 1 3 347.459 1.612 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@@H]4CNCCO4)C3)C2)cc1 ZINC000662264122 452993719 /nfs/dbraw/zinc/99/37/19/452993719.db2.gz RIDLQUUSOTZOGW-VQTJNVASSA-N 1 3 329.488 1.963 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@@H]4CNCCO4)C3)C2)cc1 ZINC000662264122 452993724 /nfs/dbraw/zinc/99/37/24/452993724.db2.gz RIDLQUUSOTZOGW-VQTJNVASSA-N 1 3 329.488 1.963 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000664369089 453038789 /nfs/dbraw/zinc/03/87/89/453038789.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 1 3 339.528 1.183 20 0 EDADHO c1c(C2CCN(CCN3CCOCC3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327345 453046861 /nfs/dbraw/zinc/04/68/61/453046861.db2.gz OAVYPRKAQIMEIV-UHFFFAOYSA-N 1 3 347.507 1.388 20 0 EDADHO c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(CCN2CCOCC2)CC1 ZINC000662327345 453046873 /nfs/dbraw/zinc/04/68/73/453046873.db2.gz OAVYPRKAQIMEIV-UHFFFAOYSA-N 1 3 347.507 1.388 20 0 EDADHO Cc1ccc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337581 453055343 /nfs/dbraw/zinc/05/53/43/453055343.db2.gz LPOMQFOCJBZRHK-QGZVFWFLSA-N 1 3 340.475 1.902 20 0 EDADHO CN(C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662346559 453064914 /nfs/dbraw/zinc/06/49/14/453064914.db2.gz SYVDQXVLEDMUGU-CVEARBPZSA-N 1 3 341.459 1.389 20 0 EDADHO C[C@@H]1CN(c2ccccc2F)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699061 453077121 /nfs/dbraw/zinc/07/71/21/453077121.db2.gz IWOQOVXHXRJPLM-CVEARBPZSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160231 453091388 /nfs/dbraw/zinc/09/13/88/453091388.db2.gz VBAFQTLWNLCWTP-KBMXLJTQSA-N 1 3 337.414 1.868 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000650922571 453112720 /nfs/dbraw/zinc/11/27/20/453112720.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 1 3 341.544 1.147 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000650922571 453112730 /nfs/dbraw/zinc/11/27/30/453112730.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 1 3 341.544 1.147 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666767171 453132552 /nfs/dbraw/zinc/13/25/52/453132552.db2.gz ZFYYEZNTUULUTL-ZIAGYGMSSA-N 1 3 332.448 1.463 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000662435384 453142453 /nfs/dbraw/zinc/14/24/53/453142453.db2.gz XUGFVXAKUDQXPA-BHYGNILZSA-N 1 3 344.459 1.450 20 0 EDADHO CN(C)[C@@]1(CNC(=O)c2cccn2C2CC[NH2+]CC2)CCSC1 ZINC000646151355 453161864 /nfs/dbraw/zinc/16/18/64/453161864.db2.gz JTFINHQOCOAQMD-QGZVFWFLSA-N 1 3 336.505 1.580 20 0 EDADHO NCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000666832372 453177599 /nfs/dbraw/zinc/17/75/99/453177599.db2.gz YLAFICNLCUCQLF-MRXNPFEDSA-N 1 3 344.459 1.418 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662485725 453202063 /nfs/dbraw/zinc/20/20/63/453202063.db2.gz IWPJIIIFNFREPP-INIZCTEOSA-N 1 3 331.460 1.863 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666974262 453289643 /nfs/dbraw/zinc/28/96/43/453289643.db2.gz MGGTZUIDZUILBF-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666974262 453289649 /nfs/dbraw/zinc/28/96/49/453289649.db2.gz MGGTZUIDZUILBF-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000653112470 453300118 /nfs/dbraw/zinc/30/01/18/453300118.db2.gz ZLPFMULCHWBJJC-ZWKOTPCHSA-N 1 3 332.492 1.436 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000653112467 453300193 /nfs/dbraw/zinc/30/01/93/453300193.db2.gz ZLPFMULCHWBJJC-MSOLQXFVSA-N 1 3 332.492 1.436 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120379 453310221 /nfs/dbraw/zinc/31/02/21/453310221.db2.gz PKOJFVLRLNFMEJ-LNLFQRSKSA-N 1 3 329.444 1.003 20 0 EDADHO C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1Cc1ccccc1 ZINC000653122673 453313224 /nfs/dbraw/zinc/31/32/24/453313224.db2.gz ATDHEYGTTSGWJV-QRFRQXIXSA-N 1 3 343.471 1.345 20 0 EDADHO NC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183700 453373622 /nfs/dbraw/zinc/37/36/22/453373622.db2.gz IMOPDKXAOICKKX-XOYOTBSWSA-N 1 3 349.450 1.613 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223284 453411755 /nfs/dbraw/zinc/41/17/55/453411755.db2.gz HUOJOCHIVMNXTD-DDUZABMNSA-N 1 3 335.423 1.433 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccn1C1CC[NH2+]CC1 ZINC000662709519 453432638 /nfs/dbraw/zinc/43/26/38/453432638.db2.gz SNFLWYDAHQZDDY-KRWDZBQOSA-N 1 3 346.475 1.396 20 0 EDADHO CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000662720039 453443265 /nfs/dbraw/zinc/44/32/65/453443265.db2.gz PGZZGEOAIHPRFN-ROUUACIJSA-N 1 3 331.460 1.473 20 0 EDADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000662818564 453549943 /nfs/dbraw/zinc/54/99/43/453549943.db2.gz AMDJSTQZKZLYTG-BSDSXHPESA-N 1 3 329.444 1.083 20 0 EDADHO Cc1c(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838718 453563555 /nfs/dbraw/zinc/56/35/55/453563555.db2.gz NXEFTPRJBDXUOD-CVEARBPZSA-N 1 3 346.479 1.258 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@@H+]1C ZINC000659036725 453592647 /nfs/dbraw/zinc/59/26/47/453592647.db2.gz SUNSFMBTDMYKRS-XYPHTWIQSA-N 1 3 332.448 1.952 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC[N@H+]1C ZINC000659036725 453592649 /nfs/dbraw/zinc/59/26/49/453592649.db2.gz SUNSFMBTDMYKRS-XYPHTWIQSA-N 1 3 332.448 1.952 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000659096813 453629086 /nfs/dbraw/zinc/62/90/86/453629086.db2.gz WOSMTERTNTWYMW-OAHLLOKOSA-N 1 3 332.448 1.334 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098236 453630620 /nfs/dbraw/zinc/63/06/20/453630620.db2.gz IADMXGNYPQFSBW-UHFFFAOYSA-N 1 3 332.448 1.383 20 0 EDADHO CNC(=O)CC1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665276055 453633182 /nfs/dbraw/zinc/63/31/82/453633182.db2.gz XQLSYUMGLHQTBP-BRWVUGGUSA-N 1 3 337.508 1.820 20 0 EDADHO COC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661158929 453740183 /nfs/dbraw/zinc/74/01/83/453740183.db2.gz QHJTTXJEYWHNLI-QGZVFWFLSA-N 1 3 341.496 1.007 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747781 /nfs/dbraw/zinc/74/77/81/453747781.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 1 3 341.455 1.588 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747787 /nfs/dbraw/zinc/74/77/87/453747787.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 1 3 341.455 1.588 20 0 EDADHO c1nc(N[C@H]2CC[N@@H+](C3CC3)C2)cnc1N[C@H]1CCN(C2CC2)C1 ZINC000663449335 453801946 /nfs/dbraw/zinc/80/19/46/453801946.db2.gz VSFGAYGGJAFNIY-KBPBESRZSA-N 1 3 328.464 1.774 20 0 EDADHO c1nc(N[C@H]2CC[N@H+](C3CC3)C2)cnc1N[C@H]1CCN(C2CC2)C1 ZINC000663449335 453801948 /nfs/dbraw/zinc/80/19/48/453801948.db2.gz VSFGAYGGJAFNIY-KBPBESRZSA-N 1 3 328.464 1.774 20 0 EDADHO c1c([C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509978 453813070 /nfs/dbraw/zinc/81/30/70/453813070.db2.gz DIZQVRRIQJWPGF-CABCVRRESA-N 1 3 335.521 1.752 20 0 EDADHO c1c([C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509978 453813071 /nfs/dbraw/zinc/81/30/71/453813071.db2.gz DIZQVRRIQJWPGF-CABCVRRESA-N 1 3 335.521 1.752 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416962473 486789901 /nfs/dbraw/zinc/78/99/01/486789901.db2.gz AECLINCWCKUEKG-HOTGVXAUSA-N 1 3 334.464 1.696 20 0 EDADHO Cn1nnnc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690068 486792436 /nfs/dbraw/zinc/79/24/36/486792436.db2.gz DNSKYBVWUDHBIF-BJWYYQGGSA-N 1 3 326.448 1.538 20 0 EDADHO Cn1nnnc1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683690068 486792441 /nfs/dbraw/zinc/79/24/41/486792441.db2.gz DNSKYBVWUDHBIF-BJWYYQGGSA-N 1 3 326.448 1.538 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000417990266 486820593 /nfs/dbraw/zinc/82/05/93/486820593.db2.gz KHADACQQKOLCBG-FGTMMUONSA-N 1 3 346.475 1.322 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667727961 486936747 /nfs/dbraw/zinc/93/67/47/486936747.db2.gz LNQWXZSWFGOFTO-HNNXBMFYSA-N 1 3 333.480 1.540 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000681188667 486964740 /nfs/dbraw/zinc/96/47/40/486964740.db2.gz OSURXAGGYFTDMX-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000667800709 486971185 /nfs/dbraw/zinc/97/11/85/486971185.db2.gz MAZZILIGWCDYIF-UHFFFAOYSA-N 1 3 331.464 1.969 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000667807067 486974797 /nfs/dbraw/zinc/97/47/97/486974797.db2.gz PKPSWBULUKVFON-HIFRSBDPSA-N 1 3 331.464 1.894 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000673611687 487068659 /nfs/dbraw/zinc/06/86/59/487068659.db2.gz YQZLJAYIOPEIFN-INIZCTEOSA-N 1 3 340.489 1.541 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000681764568 487162101 /nfs/dbraw/zinc/16/21/01/487162101.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 1 3 331.460 1.034 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000681764568 487162106 /nfs/dbraw/zinc/16/21/06/487162106.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 1 3 331.460 1.034 20 0 EDADHO NC(=O)c1ccccc1N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000675845274 487451505 /nfs/dbraw/zinc/45/15/05/487451505.db2.gz AMGJNMZMTBAUGQ-KRWDZBQOSA-N 1 3 342.487 1.828 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669561169 485568459 /nfs/dbraw/zinc/56/84/59/485568459.db2.gz TUAIWADPNZWAHX-XGXHKWSGSA-N 1 3 342.487 1.900 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668649545 485994232 /nfs/dbraw/zinc/99/42/32/485994232.db2.gz QLXFKIDMPOOMMV-SQNIBIBYSA-N 1 3 330.476 1.553 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000668665624 486015634 /nfs/dbraw/zinc/01/56/34/486015634.db2.gz CIIGTYWATNRZBD-KZNAEPCWSA-N 1 3 328.460 1.654 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429552 536459496 /nfs/dbraw/zinc/45/94/96/536459496.db2.gz CDSAUPHTIBXJTO-CVEARBPZSA-N 1 3 329.400 1.236 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000173731537 527805546 /nfs/dbraw/zinc/80/55/46/527805546.db2.gz QMSXNMISQKOOGS-INIZCTEOSA-N 1 3 346.475 1.487 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000173731537 527805551 /nfs/dbraw/zinc/80/55/51/527805551.db2.gz QMSXNMISQKOOGS-INIZCTEOSA-N 1 3 346.475 1.487 20 0 EDADHO CC(C)(C)c1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346650357 535157773 /nfs/dbraw/zinc/15/77/73/535157773.db2.gz CATLMNKZQKJATN-GOEBONIOSA-N 1 3 347.507 1.787 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352666651 535165232 /nfs/dbraw/zinc/16/52/32/535165232.db2.gz HXPBPFWBTOWYKQ-UHFFFAOYSA-N 1 3 333.432 1.456 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)C2CCOCC2)cc1 ZINC000261617102 535606601 /nfs/dbraw/zinc/60/66/01/535606601.db2.gz BWELKBNUKHSQQX-GOSISDBHSA-N 1 3 333.476 1.899 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@H](N)Cc3ccccc3)CC2)CC1 ZINC000237164473 536340186 /nfs/dbraw/zinc/34/01/86/536340186.db2.gz KYYKYGQUAYXMCW-LJQANCHMSA-N 1 3 344.503 1.231 20 0 EDADHO CN1CCN(C(=O)CCN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236030 536404017 /nfs/dbraw/zinc/40/40/17/536404017.db2.gz NXVBLURFASMXGK-RBUKOAKNSA-N 1 3 344.503 1.576 20 0 EDADHO CN1CCN(C(=O)CCN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340236030 536404018 /nfs/dbraw/zinc/40/40/18/536404018.db2.gz NXVBLURFASMXGK-RBUKOAKNSA-N 1 3 344.503 1.576 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)N(C)C1 ZINC000347676090 536773945 /nfs/dbraw/zinc/77/39/45/536773945.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)N(C)C1 ZINC000347676090 536773949 /nfs/dbraw/zinc/77/39/49/536773949.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 1 3 340.512 1.467 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)N1CCCCC1 ZINC000743316729 579475901 /nfs/dbraw/zinc/47/59/01/579475901.db2.gz YDGMZYHCNDZKRY-RDJZCZTQSA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)OCCN1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000747668821 579653060 /nfs/dbraw/zinc/65/30/60/579653060.db2.gz YJOFSXJKYCBABA-UHFFFAOYSA-N 1 3 330.542 1.292 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1csc(C)n1 ZINC000750734721 579778902 /nfs/dbraw/zinc/77/89/02/579778902.db2.gz MIZQAULHARIGIE-MRXNPFEDSA-N 1 3 338.521 1.869 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1csc(C)n1 ZINC000750734721 579778903 /nfs/dbraw/zinc/77/89/03/579778903.db2.gz MIZQAULHARIGIE-MRXNPFEDSA-N 1 3 338.521 1.869 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC000762608621 580078856 /nfs/dbraw/zinc/07/88/56/580078856.db2.gz COWZPPRAZLCYRF-QGZVFWFLSA-N 1 3 325.497 1.870 20 0 EDADHO Cc1nc(Cl)ccc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000764385216 580118759 /nfs/dbraw/zinc/11/87/59/580118759.db2.gz NXYAZUJMZOGYAU-UHFFFAOYSA-N 1 3 326.872 1.538 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000775307202 580387722 /nfs/dbraw/zinc/38/77/22/580387722.db2.gz VLSWRQUXFUKDIO-UHFFFAOYSA-N 1 3 344.503 1.713 20 0 EDADHO C[C@@H](CNC(=O)N(C)CCCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000779335587 580483780 /nfs/dbraw/zinc/48/37/80/580483780.db2.gz FQEUIBOTNXFCGP-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786798752 580679543 /nfs/dbraw/zinc/67/95/43/580679543.db2.gz CHIAMFVZSYJXHQ-OAHLLOKOSA-N 1 3 346.475 1.714 20 0 EDADHO O=CN1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000788436537 580721284 /nfs/dbraw/zinc/72/12/84/580721284.db2.gz NGFYXPMMFDXKLJ-UHFFFAOYSA-N 1 3 331.460 1.354 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000795937093 580941745 /nfs/dbraw/zinc/94/17/45/580941745.db2.gz YCPQJDLNYJHYGM-QGZVFWFLSA-N 1 3 337.508 1.678 20 0 EDADHO CN(C)Cc1cnc(CNc2c[nH+]ccc2N2CCN(C)CC2)s1 ZINC000796339742 580951418 /nfs/dbraw/zinc/95/14/18/580951418.db2.gz ZCANGEDHXINOPI-UHFFFAOYSA-N 1 3 346.504 1.964 20 0 EDADHO C[NH+]1CCC(CN2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000891830033 590640861 /nfs/dbraw/zinc/64/08/61/590640861.db2.gz UJMUPECBFJPRJS-UHFFFAOYSA-N 1 3 327.423 1.738 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCCCC[C@@H]([NH3+])C2)CCCO1 ZINC000891857100 590657853 /nfs/dbraw/zinc/65/78/53/590657853.db2.gz YOZIAHUZCNUKPC-HZPDHXFCSA-N 1 3 326.485 1.400 20 0 EDADHO C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000893236667 590726306 /nfs/dbraw/zinc/72/63/06/590726306.db2.gz JLVHVQOCQPZJFR-MRXNPFEDSA-N 1 3 341.544 1.099 20 0 EDADHO N[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC000892030455 590761432 /nfs/dbraw/zinc/76/14/32/590761432.db2.gz JYRSKOMBZKGFSU-GOSISDBHSA-N 1 3 346.475 1.629 20 0 EDADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@H]1CNCCC1(F)F ZINC000892155202 590826486 /nfs/dbraw/zinc/82/64/86/590826486.db2.gz CFSDFPKIBVFTDA-OLZOCXBDSA-N 1 3 330.423 1.595 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000890878512 590827867 /nfs/dbraw/zinc/82/78/67/590827867.db2.gz CCASGNIXPNGPHP-IAGOWNOFSA-N 1 3 349.523 1.502 20 0 EDADHO CC(C)CN(CC1CCN(C)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892171479 590841542 /nfs/dbraw/zinc/84/15/42/590841542.db2.gz YSJOWBQRHVHRTO-QGZVFWFLSA-N 1 3 340.512 1.374 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1ccncc1 ZINC000892188728 590854919 /nfs/dbraw/zinc/85/49/19/590854919.db2.gz SCOIQNJCDREGGZ-LTIDMASMSA-N 1 3 343.475 1.690 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000893418592 590858172 /nfs/dbraw/zinc/85/81/72/590858172.db2.gz YVUAVDKHLNZJPE-WBVHZDCISA-N 1 3 342.553 1.797 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000892241348 590883080 /nfs/dbraw/zinc/88/30/80/590883080.db2.gz QCTGKHNMUPGURY-QAQDUYKDSA-N 1 3 331.464 1.330 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1c1ccncc1 ZINC000892267125 590899908 /nfs/dbraw/zinc/89/99/08/590899908.db2.gz RVDCBXGNPNMEBU-GDBMZVCRSA-N 1 3 329.448 1.444 20 0 EDADHO C[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CCN(C2CC2)C1 ZINC000892332199 590959285 /nfs/dbraw/zinc/95/92/85/590959285.db2.gz LWWSIYLYOSWWTB-OAHLLOKOSA-N 1 3 342.487 1.958 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)N(C)C)cc1 ZINC000892410215 591016440 /nfs/dbraw/zinc/01/64/40/591016440.db2.gz QBQNWHJQQZZZOH-OKZBNKHCSA-N 1 3 330.476 1.943 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)N(C)C)cc1 ZINC000892410215 591016444 /nfs/dbraw/zinc/01/64/44/591016444.db2.gz QBQNWHJQQZZZOH-OKZBNKHCSA-N 1 3 330.476 1.943 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000892574097 591077707 /nfs/dbraw/zinc/07/77/07/591077707.db2.gz IXWIATSUPNSCJS-AWEZNQCLSA-N 1 3 348.491 1.794 20 0 EDADHO CN1CCN(C)CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000891476623 591084930 /nfs/dbraw/zinc/08/49/30/591084930.db2.gz SERJGOSRGUPUAU-SFHVURJKSA-N 1 3 347.507 1.178 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639022 591162203 /nfs/dbraw/zinc/16/22/03/591162203.db2.gz OWYYXWBBNYEUTO-SJORKVTESA-N 1 3 342.553 1.830 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894028478 591175050 /nfs/dbraw/zinc/17/50/50/591175050.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894028478 591175052 /nfs/dbraw/zinc/17/50/52/591175052.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 1 3 330.476 1.710 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891673206 591178714 /nfs/dbraw/zinc/17/87/14/591178714.db2.gz HOXQYZXTZRHVBG-MZMPZRCHSA-N 1 3 328.460 1.483 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891673206 591178718 /nfs/dbraw/zinc/17/87/18/591178718.db2.gz HOXQYZXTZRHVBG-MZMPZRCHSA-N 1 3 328.460 1.483 20 0 EDADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892789370 591179125 /nfs/dbraw/zinc/17/91/25/591179125.db2.gz NJFDOTDOJUUSPR-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO C[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC000892833536 591198799 /nfs/dbraw/zinc/19/87/99/591198799.db2.gz YYHHFKROXNCBJY-SJORKVTESA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CCCC1 ZINC000892833536 591198803 /nfs/dbraw/zinc/19/88/03/591198803.db2.gz YYHHFKROXNCBJY-SJORKVTESA-N 1 3 338.496 1.101 20 0 EDADHO CN1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768498 591269163 /nfs/dbraw/zinc/26/91/63/591269163.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 1 3 326.448 1.862 20 0 EDADHO CN1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768498 591269165 /nfs/dbraw/zinc/26/91/65/591269165.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 1 3 326.448 1.862 20 0 EDADHO Cc1noc2ncc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc12 ZINC000894333270 591281576 /nfs/dbraw/zinc/28/15/76/591281576.db2.gz VOOJIHKCBTYOJZ-IAGOWNOFSA-N 1 3 330.432 1.999 20 0 EDADHO CN1CCC(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000894721872 591399581 /nfs/dbraw/zinc/39/95/81/591399581.db2.gz GJNGBORJKLEQMU-UONOGXRCSA-N 1 3 333.398 1.671 20 0 EDADHO CN1CCC(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000894721872 591399584 /nfs/dbraw/zinc/39/95/84/591399584.db2.gz GJNGBORJKLEQMU-UONOGXRCSA-N 1 3 333.398 1.671 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568439 /nfs/dbraw/zinc/56/84/39/591568439.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568441 /nfs/dbraw/zinc/56/84/41/591568441.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C[C@]2(O)CCCN(C)C2)cc1 ZINC000900007751 591865433 /nfs/dbraw/zinc/86/54/33/591865433.db2.gz SDOWARSJXAKBKQ-HXUWFJFHSA-N 1 3 347.503 1.991 20 0 EDADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1CN(C2CCOCC2)C1 ZINC000899813400 591948484 /nfs/dbraw/zinc/94/84/84/591948484.db2.gz VOXJFQYVCZREKE-OAHLLOKOSA-N 1 3 344.459 1.230 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C[C@]2(CCCOC2)C1=O ZINC000902359636 591986188 /nfs/dbraw/zinc/98/61/88/591986188.db2.gz FOFCRTXNGBNVTG-IBGZPJMESA-N 1 3 337.508 1.883 20 0 EDADHO C[NH+](C)CCn1nccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000900408265 592010962 /nfs/dbraw/zinc/01/09/62/592010962.db2.gz YDNZZJILLFURCX-UHFFFAOYSA-N 1 3 347.507 1.783 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900456001 592022911 /nfs/dbraw/zinc/02/29/11/592022911.db2.gz HIGRHEGVOLQVIC-SFHVURJKSA-N 1 3 335.448 1.412 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900456001 592022914 /nfs/dbraw/zinc/02/29/14/592022914.db2.gz HIGRHEGVOLQVIC-SFHVURJKSA-N 1 3 335.448 1.412 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900536698 592050476 /nfs/dbraw/zinc/05/04/76/592050476.db2.gz ADIOQKUFCJLVIL-LJQANCHMSA-N 1 3 349.475 1.090 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900536698 592050480 /nfs/dbraw/zinc/05/04/80/592050480.db2.gz ADIOQKUFCJLVIL-LJQANCHMSA-N 1 3 349.475 1.090 20 0 EDADHO CCCCC[C@@H](C)NC(=O)CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809528 592067751 /nfs/dbraw/zinc/06/77/51/592067751.db2.gz FYHPTTLJYTYCOV-QLFBSQMISA-N 1 3 340.468 1.433 20 0 EDADHO CCCCC[C@@H](C)NC(=O)CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809528 592067754 /nfs/dbraw/zinc/06/77/54/592067754.db2.gz FYHPTTLJYTYCOV-QLFBSQMISA-N 1 3 340.468 1.433 20 0 EDADHO CC(C)C[C@@H](CNC(=O)CCN1CCN(C(C)C)CC1)[NH+](C)C ZINC000900684620 592093670 /nfs/dbraw/zinc/09/36/70/592093670.db2.gz SNIJMGNXQVKTQS-KRWDZBQOSA-N 1 3 326.529 1.495 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000900725351 592105580 /nfs/dbraw/zinc/10/55/80/592105580.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 1 3 338.540 1.593 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900725351 592105583 /nfs/dbraw/zinc/10/55/83/592105583.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 1 3 338.540 1.593 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)ccn1 ZINC000903088511 592117834 /nfs/dbraw/zinc/11/78/34/592117834.db2.gz ZMDYVDJEMFVGDD-MOPGFXCFSA-N 1 3 346.475 1.131 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CCOC23CCCC3)(N2CCOCC2)CC1 ZINC000903187292 592135662 /nfs/dbraw/zinc/13/56/62/592135662.db2.gz ZXWZOTAADQIQNY-QGZVFWFLSA-N 1 3 337.508 1.474 20 0 EDADHO C[C@H]([NH2+]CCCc1nnnn1C)c1ccc(OCCN(C)C)cc1 ZINC000903344484 592156120 /nfs/dbraw/zinc/15/61/20/592156120.db2.gz PDRIKACQDLWCSC-AWEZNQCLSA-N 1 3 332.452 1.434 20 0 EDADHO CN(Cc1ccccc1)C(=O)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430948 592168388 /nfs/dbraw/zinc/16/83/88/592168388.db2.gz KEUUJYRUSZAREA-MSOLQXFVSA-N 1 3 330.476 1.983 20 0 EDADHO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903441062 592170156 /nfs/dbraw/zinc/17/01/56/592170156.db2.gz IPVJEHOXGKURPZ-FJIDUMEYSA-N 1 3 336.524 1.236 20 0 EDADHO COC(=O)c1cc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903494957 592186967 /nfs/dbraw/zinc/18/69/67/592186967.db2.gz SJMAIVCFHAYIQZ-OZVIIMIRSA-N 1 3 338.429 1.247 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496097 592187751 /nfs/dbraw/zinc/18/77/51/592187751.db2.gz FGODCPMOOQNCDZ-KCYZZUKISA-N 1 3 331.460 1.932 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536591 592199257 /nfs/dbraw/zinc/19/92/57/592199257.db2.gz GBGMURJHUVCTOQ-NVXWUHKLSA-N 1 3 337.489 1.640 20 0 EDADHO C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906646631 592231848 /nfs/dbraw/zinc/23/18/48/592231848.db2.gz UMAIOOSGDXUIQE-UHFFFAOYSA-N 1 3 332.448 1.274 20 0 EDADHO Cc1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(OCCN(C)C)c1 ZINC000904346974 592236336 /nfs/dbraw/zinc/23/63/36/592236336.db2.gz ALWZHQCNVOSRPR-IJEWVQPXSA-N 1 3 332.448 1.950 20 0 EDADHO COCCN(C)c1ccc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000904393540 592244457 /nfs/dbraw/zinc/24/44/57/592244457.db2.gz XBZNLHPTVXFAII-KRWDZBQOSA-N 1 3 348.491 1.494 20 0 EDADHO C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906663446 592246164 /nfs/dbraw/zinc/24/61/64/592246164.db2.gz FDXPHKIHODSLBD-UHFFFAOYSA-N 1 3 330.432 1.171 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665719 592247924 /nfs/dbraw/zinc/24/79/24/592247924.db2.gz DFKNCCCQTVUFOW-OAHLLOKOSA-N 1 3 332.448 1.320 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000904509389 592273800 /nfs/dbraw/zinc/27/38/00/592273800.db2.gz JEDAEKFYTXGUPP-ZWKOTPCHSA-N 1 3 346.475 1.859 20 0 EDADHO CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724187 592284262 /nfs/dbraw/zinc/28/42/62/592284262.db2.gz LSHJZSKFFCPGPP-QUCCMNQESA-N 1 3 343.471 1.779 20 0 EDADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732464 592288238 /nfs/dbraw/zinc/28/82/38/592288238.db2.gz DWFJNRUHSNTCPN-JTDSTZFVSA-N 1 3 341.459 1.677 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000901242234 592301122 /nfs/dbraw/zinc/30/11/22/592301122.db2.gz YHKSUPXHEXFOPB-UHFFFAOYSA-N 1 3 334.508 1.099 20 0 EDADHO COCC(C)(C)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764313 592309262 /nfs/dbraw/zinc/30/92/62/592309262.db2.gz RDTFFJLCDTYKCE-MRXNPFEDSA-N 1 3 325.497 1.188 20 0 EDADHO Cc1cnc(OC2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903768872 592309847 /nfs/dbraw/zinc/30/98/47/592309847.db2.gz UDVONIQSHISKAG-AEFFLSMTSA-N 1 3 332.448 1.397 20 0 EDADHO CCn1cc(C2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)cn1 ZINC000903889191 592350862 /nfs/dbraw/zinc/35/08/62/592350862.db2.gz PRNPOUNHXHXDPL-MRXNPFEDSA-N 1 3 344.507 1.942 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889638 592350930 /nfs/dbraw/zinc/35/09/30/592350930.db2.gz URYHKKGHJPOTSB-DLBZAZTESA-N 1 3 342.491 1.675 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCN(CC2CCCCC2)CC1 ZINC000903880919 592360753 /nfs/dbraw/zinc/36/07/53/592360753.db2.gz XIRXFECGVZKBMM-SFHVURJKSA-N 1 3 346.523 1.901 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2C[C@@H](O)C[C@@H]2c2ccccc2)cnn1C ZINC000903929842 592381948 /nfs/dbraw/zinc/38/19/48/592381948.db2.gz MMMYAUUDOYTBOQ-AYOQOUSVSA-N 1 3 328.460 1.654 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057927 592394808 /nfs/dbraw/zinc/39/48/08/592394808.db2.gz BOJSEKLUTAYDJE-RHSMWYFYSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057927 592394815 /nfs/dbraw/zinc/39/48/15/592394815.db2.gz BOJSEKLUTAYDJE-RHSMWYFYSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2cc[nH]c2c1 ZINC000905057927 592394820 /nfs/dbraw/zinc/39/48/20/592394820.db2.gz BOJSEKLUTAYDJE-RHSMWYFYSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905098485 592404492 /nfs/dbraw/zinc/40/44/92/592404492.db2.gz SSYSUIKFJISLFR-SLFFLAALSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905098485 592404497 /nfs/dbraw/zinc/40/44/97/592404497.db2.gz SSYSUIKFJISLFR-SLFFLAALSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905098485 592404500 /nfs/dbraw/zinc/40/45/00/592404500.db2.gz SSYSUIKFJISLFR-SLFFLAALSA-N 1 3 348.487 1.043 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCCC3)C2)CC1 ZINC000905112113 592412773 /nfs/dbraw/zinc/41/27/73/592412773.db2.gz YMECSOTYOLVPJV-AEFFLSMTSA-N 1 3 339.524 1.191 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905294734 592487456 /nfs/dbraw/zinc/48/74/56/592487456.db2.gz JSCSHXWMCVGKNJ-VQTJNVASSA-N 1 3 349.519 1.477 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000907260075 592574864 /nfs/dbraw/zinc/57/48/64/592574864.db2.gz IFUOPHUMLAQZDF-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO CC1(C)CCN(CC[NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000905680108 592610012 /nfs/dbraw/zinc/61/00/12/592610012.db2.gz VCYDGPVTASKDIP-IBGZPJMESA-N 1 3 331.504 1.727 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000907456710 592665059 /nfs/dbraw/zinc/66/50/59/592665059.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000907456710 592665063 /nfs/dbraw/zinc/66/50/63/592665063.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 1 3 336.524 1.536 20 0 EDADHO CC[C@@H](C(=O)N[C@@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000907716740 592769525 /nfs/dbraw/zinc/76/95/25/592769525.db2.gz KCOPXQHQCFNBLJ-JYJNAYRXSA-N 1 3 342.528 1.266 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CN)C[NH+]1CCCCC1 ZINC000906644432 592865439 /nfs/dbraw/zinc/86/54/39/592865439.db2.gz APSULSGMVIYPGP-CQSZACIVSA-N 1 3 332.448 1.322 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645902 592865717 /nfs/dbraw/zinc/86/57/17/592865717.db2.gz MSWXVJWZVNQFAG-ZNMIVQPWSA-N 1 3 346.475 1.566 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645902 592865719 /nfs/dbraw/zinc/86/57/19/592865719.db2.gz MSWXVJWZVNQFAG-ZNMIVQPWSA-N 1 3 346.475 1.566 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000911216094 592958370 /nfs/dbraw/zinc/95/83/70/592958370.db2.gz NQBHQGAXEHMZBQ-IIAWOOMASA-N 1 3 346.475 1.086 20 0 EDADHO CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000911692973 592983517 /nfs/dbraw/zinc/98/35/17/592983517.db2.gz CVJJUOAUMYEYJW-LLVKDONJSA-N 1 3 329.366 1.574 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000912587922 593106575 /nfs/dbraw/zinc/10/65/75/593106575.db2.gz IDWCKLMANDDOII-KRWDZBQOSA-N 1 3 339.524 1.850 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(C2OCCO2)s1 ZINC000809634029 593350919 /nfs/dbraw/zinc/35/09/19/593350919.db2.gz PEGPPOODQYMOEN-GFCCVEGCSA-N 1 3 329.466 1.635 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810542216 593410885 /nfs/dbraw/zinc/41/08/85/593410885.db2.gz KTGUELAVUDPNRO-SFHVURJKSA-N 1 3 343.487 1.550 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000811930676 593486505 /nfs/dbraw/zinc/48/65/05/593486505.db2.gz ABSRFHKVFUCPQP-DOTOQJQBSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000811930676 593486506 /nfs/dbraw/zinc/48/65/06/593486506.db2.gz ABSRFHKVFUCPQP-DOTOQJQBSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817935570 593650325 /nfs/dbraw/zinc/65/03/25/593650325.db2.gz IYINKYDCZWKGCF-LBPRGKRZSA-N 1 3 327.270 1.790 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@@H](O)c2cccc(F)c2)ccn1 ZINC000819195960 593743797 /nfs/dbraw/zinc/74/37/97/593743797.db2.gz NFTHJRSAOFRHNK-QGZVFWFLSA-N 1 3 333.407 1.984 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000821754105 593930261 /nfs/dbraw/zinc/93/02/61/593930261.db2.gz UVZZLGDXEGMSBB-RUYXUALKSA-N 1 3 345.487 1.578 20 0 EDADHO CCc1nc2c(nccc2C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[nH]1 ZINC000824819970 594079670 /nfs/dbraw/zinc/07/96/70/594079670.db2.gz SKGPODHITWETIV-ZDUSSCGKSA-N 1 3 346.479 1.522 20 0 EDADHO CCc1nc2c(nccc2C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[nH]1 ZINC000824819970 594079671 /nfs/dbraw/zinc/07/96/71/594079671.db2.gz SKGPODHITWETIV-ZDUSSCGKSA-N 1 3 346.479 1.522 20 0 EDADHO [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000831127136 594563313 /nfs/dbraw/zinc/56/33/13/594563313.db2.gz CUCVPSMEESSYHZ-LZLYRXPVSA-N 1 3 344.459 1.117 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054561 594722495 /nfs/dbraw/zinc/72/24/95/594722495.db2.gz ORPZKNOMKJBFHN-FUHWJXTLSA-N 1 3 335.423 1.095 20 0 EDADHO COCCN(C)c1ccc(CNCc2ccc(CC[NH3+])cc2)cn1 ZINC000841032889 594841970 /nfs/dbraw/zinc/84/19/70/594841970.db2.gz HEXIWKCXDOYBKZ-UHFFFAOYSA-N 1 3 328.460 1.955 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100084 594850862 /nfs/dbraw/zinc/85/08/62/594850862.db2.gz TZLVUWUWEWGILI-HKUYNNGSSA-N 1 3 341.459 1.986 20 0 EDADHO O=C(CNCC1CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847883 594964808 /nfs/dbraw/zinc/96/48/08/594964808.db2.gz XHCMKSMZJBMTLC-UHFFFAOYSA-N 1 3 331.416 1.534 20 0 EDADHO COC[C@@]1(CNC(=O)C[C@H](N)c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850917 594965361 /nfs/dbraw/zinc/96/53/61/594965361.db2.gz IVBLXBWIMQEMIF-BBRMVZONSA-N 1 3 340.855 1.318 20 0 EDADHO COc1cc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)ccc1OCCN(C)C ZINC000843201076 595031821 /nfs/dbraw/zinc/03/18/21/595031821.db2.gz OENXHIBKEHKNSQ-CQSZACIVSA-N 1 3 346.431 1.965 20 0 EDADHO COCCOc1cccc(CNC(=O)CN(C)C2CCC([NH3+])CC2)c1 ZINC000843354984 595085478 /nfs/dbraw/zinc/08/54/78/595085478.db2.gz HTTFPHNLPVIJNY-UHFFFAOYSA-N 1 3 349.475 1.530 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488820 595127235 /nfs/dbraw/zinc/12/72/35/595127235.db2.gz QYNUCAJLWFBRLT-LJQANCHMSA-N 1 3 347.503 1.778 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000834564480 595163566 /nfs/dbraw/zinc/16/35/66/595163566.db2.gz LBZYLQAELLQKGE-SJORKVTESA-N 1 3 329.460 1.114 20 0 EDADHO [NH3+][C@@H](CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000844184904 595296020 /nfs/dbraw/zinc/29/60/20/595296020.db2.gz FCNXOFJZGUFIFO-KRWDZBQOSA-N 1 3 344.459 1.578 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844186056 595296092 /nfs/dbraw/zinc/29/60/92/595296092.db2.gz FGEPNDTZKQYXGR-NZSAHSFTSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220842 595306050 /nfs/dbraw/zinc/30/60/50/595306050.db2.gz DDXZKBORVMMMIR-JKSUJKDBSA-N 1 3 346.475 1.521 20 0 EDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220842 595306053 /nfs/dbraw/zinc/30/60/53/595306053.db2.gz DDXZKBORVMMMIR-JKSUJKDBSA-N 1 3 346.475 1.521 20 0 EDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220842 595306056 /nfs/dbraw/zinc/30/60/56/595306056.db2.gz DDXZKBORVMMMIR-JKSUJKDBSA-N 1 3 346.475 1.521 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CCOC3=O)CC2)CC1 ZINC000848104509 595319254 /nfs/dbraw/zinc/31/92/54/595319254.db2.gz RELDLUZXHJDRCC-GOSISDBHSA-N 1 3 337.464 1.005 20 0 EDADHO COc1ccccc1[C@H](O)CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848524816 595402423 /nfs/dbraw/zinc/40/24/23/595402423.db2.gz XLYWMGIKVFSMCZ-SJLPKXTDSA-N 1 3 334.460 1.962 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844954334 595419755 /nfs/dbraw/zinc/41/97/55/595419755.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844954334 595419756 /nfs/dbraw/zinc/41/97/56/595419756.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070983 595477875 /nfs/dbraw/zinc/47/78/75/595477875.db2.gz BNOZKIHIXBYNNO-KRWDZBQOSA-N 1 3 343.475 1.677 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074469 595478239 /nfs/dbraw/zinc/47/82/39/595478239.db2.gz QCVPNESVSQVPKE-NSHDSACASA-N 1 3 332.374 1.544 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845508269 595509428 /nfs/dbraw/zinc/50/94/28/595509428.db2.gz TWNVKFPBNBJMSL-ZIAGYGMSSA-N 1 3 342.484 1.042 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495932 595550713 /nfs/dbraw/zinc/55/07/13/595550713.db2.gz GXQHVZKTDQSJOE-OIISXLGYSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495932 595550715 /nfs/dbraw/zinc/55/07/15/595550715.db2.gz GXQHVZKTDQSJOE-OIISXLGYSA-N 1 3 335.496 1.300 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852857964 595579175 /nfs/dbraw/zinc/57/91/75/595579175.db2.gz LKJCNGQKMJLYSI-PBHICJAKSA-N 1 3 344.459 1.781 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 ZINC000852857964 595579176 /nfs/dbraw/zinc/57/91/76/595579176.db2.gz LKJCNGQKMJLYSI-PBHICJAKSA-N 1 3 344.459 1.781 20 0 EDADHO CC[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000852858872 595581188 /nfs/dbraw/zinc/58/11/88/595581188.db2.gz JTCKBDXGQRMAGV-HZPDHXFCSA-N 1 3 330.432 1.043 20 0 EDADHO NC[C@@H]1CC(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)=NO1 ZINC000852879222 595594934 /nfs/dbraw/zinc/59/49/34/595594934.db2.gz SMIXBKILGKEMRN-XYJFISCASA-N 1 3 344.459 1.289 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000854221669 596006759 /nfs/dbraw/zinc/00/67/59/596006759.db2.gz RIDDROOLSQXJOA-QZTJIDSGSA-N 1 3 346.475 1.177 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)CN1C1CC1 ZINC000870928396 596409154 /nfs/dbraw/zinc/40/91/54/596409154.db2.gz FRHWTPQOVATTTD-WCQYABFASA-N 1 3 334.489 1.965 20 0 EDADHO O=C(CCC12CC(C1)C[NH2+]2)NCC1CCN(Cc2ccncc2)CC1 ZINC000870955789 596417273 /nfs/dbraw/zinc/41/72/73/596417273.db2.gz XTCBQIXNIQVSGA-UHFFFAOYSA-N 1 3 342.487 1.942 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC000870986196 596430496 /nfs/dbraw/zinc/43/04/96/596430496.db2.gz IHYTXZSYNSJEBX-INIZCTEOSA-N 1 3 344.503 1.946 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC000869236872 596456518 /nfs/dbraw/zinc/45/65/18/596456518.db2.gz LGDKEFHLBHVKRJ-AWEZNQCLSA-N 1 3 344.463 1.474 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-c2cn[nH]c2)cn1 ZINC000869236872 596456521 /nfs/dbraw/zinc/45/65/21/596456521.db2.gz LGDKEFHLBHVKRJ-AWEZNQCLSA-N 1 3 344.463 1.474 20 0 EDADHO Cc1ccn(C[C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000865063389 596461265 /nfs/dbraw/zinc/46/12/65/596461265.db2.gz CWBHTHHDMTZSAB-OAHLLOKOSA-N 1 3 347.507 1.502 20 0 EDADHO C[N@@H+]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CCC1(C)C ZINC000871153215 596480621 /nfs/dbraw/zinc/48/06/21/596480621.db2.gz BQXBSMPIEYXXNI-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO C[N@H+]1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CCC1(C)C ZINC000871153215 596480624 /nfs/dbraw/zinc/48/06/24/596480624.db2.gz BQXBSMPIEYXXNI-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000869779320 596631286 /nfs/dbraw/zinc/63/12/86/596631286.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 1 3 337.508 1.745 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000869779320 596631287 /nfs/dbraw/zinc/63/12/87/596631287.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 1 3 337.508 1.745 20 0 EDADHO CN(C)CCn1ccc(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)n1 ZINC000868181228 596713963 /nfs/dbraw/zinc/71/39/63/596713963.db2.gz GKUXTKPLYODQCN-LSDHHAIUSA-N 1 3 328.420 1.903 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821884 596715099 /nfs/dbraw/zinc/71/50/99/596715099.db2.gz ASBCDFQKKDJAOY-DOTOQJQBSA-N 1 3 345.553 1.888 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868215782 596728133 /nfs/dbraw/zinc/72/81/33/596728133.db2.gz BPWDFOJQEFZEIP-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000868215782 596728134 /nfs/dbraw/zinc/72/81/34/596728134.db2.gz BPWDFOJQEFZEIP-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO Cn1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c(I)n1 ZINC000864050366 596744270 /nfs/dbraw/zinc/74/42/70/596744270.db2.gz FCCIJBWAZQZWNL-JGZJWPJOSA-N 1 3 348.232 1.455 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000866031970 596766079 /nfs/dbraw/zinc/76/60/79/596766079.db2.gz JPELBSANHLTZKI-INIZCTEOSA-N 1 3 334.464 1.715 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000866031970 596766080 /nfs/dbraw/zinc/76/60/80/596766080.db2.gz JPELBSANHLTZKI-INIZCTEOSA-N 1 3 334.464 1.715 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142763 596808931 /nfs/dbraw/zinc/80/89/31/596808931.db2.gz CNLGHIKEAKPNIZ-NNPSNHGLSA-N 1 3 335.492 1.524 20 0 EDADHO CN(C)S(=O)(=O)CCN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156234 596815776 /nfs/dbraw/zinc/81/57/76/596815776.db2.gz GTKMJRZSWAKPCT-GDBMZVCRSA-N 1 3 331.526 1.497 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156473 596816048 /nfs/dbraw/zinc/81/60/48/596816048.db2.gz KBRJHJPVZTWPGN-RDJZCZTQSA-N 1 3 345.553 1.935 20 0 EDADHO CCS(=O)(=O)NCCN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158249 596816697 /nfs/dbraw/zinc/81/66/97/596816697.db2.gz UJHFSHNEXDHSSZ-HOCLYGCPSA-N 1 3 331.526 1.545 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158702 596817165 /nfs/dbraw/zinc/81/71/65/596817165.db2.gz XENRFIYVLODVGT-NUJGCVRESA-N 1 3 337.508 1.853 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000876109859 597093914 /nfs/dbraw/zinc/09/39/14/597093914.db2.gz XRPCJSMAKZYXRM-UPTPFMHGSA-N 1 3 340.512 1.395 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000876349191 597175792 /nfs/dbraw/zinc/17/57/92/597175792.db2.gz ACBDCLIHGITZTP-PMPSAXMXSA-N 1 3 326.485 1.079 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000873308307 597252320 /nfs/dbraw/zinc/25/23/20/597252320.db2.gz IFPNFRNSFYKSAQ-QWRGUYRKSA-N 1 3 348.373 1.046 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875075396 597272372 /nfs/dbraw/zinc/27/23/72/597272372.db2.gz ZOWPSQSCYLYPSC-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)N(C)C)cc1 ZINC000876709753 597297985 /nfs/dbraw/zinc/29/79/85/597297985.db2.gz ZKHDSRUDBBTEFW-KKUMJFAQSA-N 1 3 325.403 1.808 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144587 597301857 /nfs/dbraw/zinc/30/18/57/597301857.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144587 597301861 /nfs/dbraw/zinc/30/18/61/597301861.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(CN)cnn2C)CC1 ZINC000876754656 597322861 /nfs/dbraw/zinc/32/28/61/597322861.db2.gz GQMHYQZISMLIFG-CQSZACIVSA-N 1 3 341.459 1.834 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877358843 597500606 /nfs/dbraw/zinc/50/06/06/597500606.db2.gz DOFZZPYPRJXFDG-ZIAGYGMSSA-N 1 3 329.366 1.957 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427271 597743606 /nfs/dbraw/zinc/74/36/06/597743606.db2.gz MTGPJRZFCKGJIM-HZPDHXFCSA-N 1 3 339.480 1.034 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437110 597746441 /nfs/dbraw/zinc/74/64/41/597746441.db2.gz JPDXFCSPAFDUIO-HZPDHXFCSA-N 1 3 347.463 1.022 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792050 /nfs/dbraw/zinc/79/20/50/597792050.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 1 3 337.508 1.602 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792052 /nfs/dbraw/zinc/79/20/52/597792052.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 1 3 337.508 1.602 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792054 /nfs/dbraw/zinc/79/20/54/597792054.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 1 3 337.508 1.602 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792056 /nfs/dbraw/zinc/79/20/56/597792056.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 1 3 337.508 1.602 20 0 EDADHO N[C@@H](CC1CC1)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000884024291 597971130 /nfs/dbraw/zinc/97/11/30/597971130.db2.gz NDJURDSNEAOTHT-ZFWWWQNUSA-N 1 3 331.416 1.661 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000916654396 696710497 /nfs/dbraw/zinc/71/04/97/696710497.db2.gz WSMGZRKHJHDYMK-YJBOKZPZSA-N 1 3 348.491 1.909 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000914671160 695614935 /nfs/dbraw/zinc/61/49/35/695614935.db2.gz BNNXYEHQIXLFAD-WOPDTQHZSA-N 1 3 336.354 1.861 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000914671160 695614936 /nfs/dbraw/zinc/61/49/36/695614936.db2.gz BNNXYEHQIXLFAD-WOPDTQHZSA-N 1 3 336.354 1.861 20 0 EDADHO Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994403278 696825845 /nfs/dbraw/zinc/82/58/45/696825845.db2.gz BQTCTROYHJDVHM-AEFFLSMTSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1ncccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994403278 696825848 /nfs/dbraw/zinc/82/58/48/696825848.db2.gz BQTCTROYHJDVHM-AEFFLSMTSA-N 1 3 330.476 1.955 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCO ZINC000948065941 697057098 /nfs/dbraw/zinc/05/70/98/697057098.db2.gz LDSIRPUBSWRXLK-WBVHZDCISA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCO ZINC000948065941 697057100 /nfs/dbraw/zinc/05/71/00/697057100.db2.gz LDSIRPUBSWRXLK-WBVHZDCISA-N 1 3 333.476 1.713 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634491 697307703 /nfs/dbraw/zinc/30/77/03/697307703.db2.gz JLGXMYKDGMPHLJ-UPTPFMHGSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001031688860 697527613 /nfs/dbraw/zinc/52/76/13/697527613.db2.gz MUDSRSFJVITTLL-MOPGFXCFSA-N 1 3 343.471 1.406 20 0 EDADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001031688860 697527616 /nfs/dbraw/zinc/52/76/16/697527616.db2.gz MUDSRSFJVITTLL-MOPGFXCFSA-N 1 3 343.471 1.406 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474867 701551213 /nfs/dbraw/zinc/55/12/13/701551213.db2.gz AXSJJLAFCMQSNS-QGZVFWFLSA-N 1 3 348.535 1.489 20 0 EDADHO CN(CC[N@H+](C)CCC[N-]C(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180960661 699057074 /nfs/dbraw/zinc/05/70/74/699057074.db2.gz WSNMYWUHKMQPAI-UHFFFAOYSA-N 1 3 338.418 1.013 20 0 EDADHO CN(CC[N@@H+](C)CCC[N-]C(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180960661 699057078 /nfs/dbraw/zinc/05/70/78/699057078.db2.gz WSNMYWUHKMQPAI-UHFFFAOYSA-N 1 3 338.418 1.013 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053561 699113815 /nfs/dbraw/zinc/11/38/15/699113815.db2.gz APPCBNLBFMFTMV-WFASDCNBSA-N 1 3 336.505 1.730 20 0 EDADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939209723 699356391 /nfs/dbraw/zinc/35/63/91/699356391.db2.gz IJJNSTHIJUGRHM-CXAGYDPISA-N 1 3 330.407 1.771 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)C1 ZINC000941638238 701602743 /nfs/dbraw/zinc/60/27/43/701602743.db2.gz ABTIGMIVPQXJIF-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(C3CN(CC4CCCC4)C3)CC2)C1 ZINC000941638238 701602744 /nfs/dbraw/zinc/60/27/44/701602744.db2.gz ABTIGMIVPQXJIF-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO CCc1noc(C)c1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544574 699686057 /nfs/dbraw/zinc/68/60/57/699686057.db2.gz KWDKOQXDPSTESC-GUYCJALGSA-N 1 3 346.475 1.578 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)cn1 ZINC000939811503 699959612 /nfs/dbraw/zinc/95/96/12/699959612.db2.gz UAVXZRQDFKZYLI-QAPCUYQASA-N 1 3 345.491 1.598 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2OC)CC1)N(C)C ZINC000940337596 700495610 /nfs/dbraw/zinc/49/56/10/700495610.db2.gz WHIBDEMTJQFLGP-INIZCTEOSA-N 1 3 348.491 1.901 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327870 700505423 /nfs/dbraw/zinc/50/54/23/700505423.db2.gz XOZLLOPXANMIQQ-UKRRQHHQSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327870 700505425 /nfs/dbraw/zinc/50/54/25/700505425.db2.gz XOZLLOPXANMIQQ-UKRRQHHQSA-N 1 3 334.464 1.651 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328397 700507025 /nfs/dbraw/zinc/50/70/25/700507025.db2.gz ITFSQANUZAPJGK-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472533 700657907 /nfs/dbraw/zinc/65/79/07/700657907.db2.gz BVRIZJFQFDNLNP-QGZVFWFLSA-N 1 3 347.507 1.765 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977064 /nfs/dbraw/zinc/97/70/64/700977064.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 1 3 335.492 1.475 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977065 /nfs/dbraw/zinc/97/70/65/700977065.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 1 3 335.492 1.475 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186156 701390711 /nfs/dbraw/zinc/39/07/11/701390711.db2.gz DOPZPTJPUZUUJE-RDJZCZTQSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186156 701390712 /nfs/dbraw/zinc/39/07/12/701390712.db2.gz DOPZPTJPUZUUJE-RDJZCZTQSA-N 1 3 348.491 1.904 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)c1 ZINC000941237137 701427823 /nfs/dbraw/zinc/42/78/23/701427823.db2.gz ITWHKRDUIOSANK-GOSISDBHSA-N 1 3 347.503 1.961 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)c1 ZINC000941237137 701427824 /nfs/dbraw/zinc/42/78/24/701427824.db2.gz ITWHKRDUIOSANK-GOSISDBHSA-N 1 3 347.503 1.961 20 0 EDADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000941437006 701540283 /nfs/dbraw/zinc/54/02/83/701540283.db2.gz NZHJHXCZMBFCLJ-QAPCUYQASA-N 1 3 336.524 1.201 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C4CC4)n3)C2)CC[N@@H+]1C ZINC000999191315 706633884 /nfs/dbraw/zinc/63/38/84/706633884.db2.gz XKIHTHLTSNZLDA-BPLDGKMQSA-N 1 3 346.479 1.103 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3n[nH]c(C4CC4)n3)C2)CC[N@H+]1C ZINC000999191315 706633886 /nfs/dbraw/zinc/63/38/86/706633886.db2.gz XKIHTHLTSNZLDA-BPLDGKMQSA-N 1 3 346.479 1.103 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191516 706634085 /nfs/dbraw/zinc/63/40/85/706634085.db2.gz YWQYKRAKEXFLLC-BZUAXINKSA-N 1 3 348.495 1.027 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191516 706634088 /nfs/dbraw/zinc/63/40/88/706634088.db2.gz YWQYKRAKEXFLLC-BZUAXINKSA-N 1 3 348.495 1.027 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000996250776 702652595 /nfs/dbraw/zinc/65/25/95/702652595.db2.gz XRIORNQRZJPQEL-IAGOWNOFSA-N 1 3 332.492 1.994 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300641 702692301 /nfs/dbraw/zinc/69/23/01/702692301.db2.gz NYSBMIFPPZNSJR-GDBMZVCRSA-N 1 3 333.480 1.231 20 0 EDADHO CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354400 702732165 /nfs/dbraw/zinc/73/21/65/702732165.db2.gz HJXYAFPIIDALTO-GJZGRUSLSA-N 1 3 334.464 1.594 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384992 702749265 /nfs/dbraw/zinc/74/92/65/702749265.db2.gz CTBABAMCLFVJCC-KRWDZBQOSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996607705 702910978 /nfs/dbraw/zinc/91/09/78/702910978.db2.gz DPBVWOGNXWYBII-HOTGVXAUSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996607705 702910980 /nfs/dbraw/zinc/91/09/80/702910980.db2.gz DPBVWOGNXWYBII-HOTGVXAUSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996608368 702911554 /nfs/dbraw/zinc/91/15/54/702911554.db2.gz RXLYXIBHVJTEDN-UKRRQHHQSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996608368 702911555 /nfs/dbraw/zinc/91/15/55/702911555.db2.gz RXLYXIBHVJTEDN-UKRRQHHQSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cnc([C@@H](C)NC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996608864 702915136 /nfs/dbraw/zinc/91/51/36/702915136.db2.gz UAIBWFNBRKUYCX-BFYDXBDKSA-N 1 3 345.491 1.767 20 0 EDADHO Cc1cnc([C@@H](C)NC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996608864 702915137 /nfs/dbraw/zinc/91/51/37/702915137.db2.gz UAIBWFNBRKUYCX-BFYDXBDKSA-N 1 3 345.491 1.767 20 0 EDADHO COc1cc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)on1 ZINC000996675149 702974387 /nfs/dbraw/zinc/97/43/87/702974387.db2.gz FIYLNFASCMEEMY-INIZCTEOSA-N 1 3 336.436 1.104 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)ccn1 ZINC000996680741 702979047 /nfs/dbraw/zinc/97/90/47/702979047.db2.gz UVYZGDIQNVEQCR-SFHVURJKSA-N 1 3 346.475 1.511 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000996680858 702979552 /nfs/dbraw/zinc/97/95/52/702979552.db2.gz VURVZHXBOZLEOL-UYJHFMRCSA-N 1 3 337.508 1.722 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000996979117 703234558 /nfs/dbraw/zinc/23/45/58/703234558.db2.gz QXIJCDYVDIBQCK-QGZVFWFLSA-N 1 3 335.496 1.395 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997005767 703263051 /nfs/dbraw/zinc/26/30/51/703263051.db2.gz KFZSHNGHCLRXKU-AWEZNQCLSA-N 1 3 346.475 1.974 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997005767 703263052 /nfs/dbraw/zinc/26/30/52/703263052.db2.gz KFZSHNGHCLRXKU-AWEZNQCLSA-N 1 3 346.475 1.974 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997006210 703263338 /nfs/dbraw/zinc/26/33/38/703263338.db2.gz FLJAKSHUYFKRGB-CZUORRHYSA-N 1 3 348.491 1.824 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997006210 703263341 /nfs/dbraw/zinc/26/33/41/703263341.db2.gz FLJAKSHUYFKRGB-CZUORRHYSA-N 1 3 348.491 1.824 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCn2nc(C)cc2C)CC1)N(C)C ZINC000997014788 703273898 /nfs/dbraw/zinc/27/38/98/703273898.db2.gz KDHMQSYLQLOSQC-KRWDZBQOSA-N 1 3 335.496 1.421 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)CC1 ZINC000997115289 703368977 /nfs/dbraw/zinc/36/89/77/703368977.db2.gz LQIWOCKQHIXEIK-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000997306730 703565243 /nfs/dbraw/zinc/56/52/43/703565243.db2.gz JSABDBPBEHCPJD-UHFFFAOYSA-N 1 3 336.867 1.911 20 0 EDADHO Cc1nc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)sc1C ZINC000997307024 703565564 /nfs/dbraw/zinc/56/55/64/703565564.db2.gz LLRMUKMHADJRCJ-UHFFFAOYSA-N 1 3 336.505 1.936 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366004 703599739 /nfs/dbraw/zinc/59/97/39/703599739.db2.gz XJXIZGOOWFFESZ-KRWDZBQOSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997613698 703913257 /nfs/dbraw/zinc/91/32/57/703913257.db2.gz PIQCVIYCIBQPEX-QGZVFWFLSA-N 1 3 331.464 1.207 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001004206487 703964513 /nfs/dbraw/zinc/96/45/13/703964513.db2.gz MFAZIVSWCRYDJL-IYBDPMFKSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C)[NH+](C)C ZINC000922742628 704308763 /nfs/dbraw/zinc/30/87/63/704308763.db2.gz JIFFLOXFSLIXEM-GJZGRUSLSA-N 1 3 326.485 1.221 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803896 704715701 /nfs/dbraw/zinc/71/57/01/704715701.db2.gz NZILDFQYQLEQMQ-QZTJIDSGSA-N 1 3 335.492 1.478 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000998078841 705292216 /nfs/dbraw/zinc/29/22/16/705292216.db2.gz MPIXRCIQCCZVIZ-CRAIPNDOSA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000998078841 705292220 /nfs/dbraw/zinc/29/22/20/705292220.db2.gz MPIXRCIQCCZVIZ-CRAIPNDOSA-N 1 3 347.507 1.429 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998265346 705632019 /nfs/dbraw/zinc/63/20/19/705632019.db2.gz LRDNJALCHVNGES-INIZCTEOSA-N 1 3 331.464 1.065 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998265346 705632024 /nfs/dbraw/zinc/63/20/24/705632024.db2.gz LRDNJALCHVNGES-INIZCTEOSA-N 1 3 331.464 1.065 20 0 EDADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746185 /nfs/dbraw/zinc/74/61/85/705746185.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 1 3 335.492 1.430 20 0 EDADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746190 /nfs/dbraw/zinc/74/61/90/705746190.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 1 3 335.492 1.430 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)s1 ZINC000998554459 705989350 /nfs/dbraw/zinc/98/93/50/705989350.db2.gz XUOPBLRAQLMEBM-YMAMQOFZSA-N 1 3 336.505 1.933 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998720165 706152806 /nfs/dbraw/zinc/15/28/06/706152806.db2.gz IMEUTRSZMLOMMV-LSDHHAIUSA-N 1 3 336.867 1.910 20 0 EDADHO Cc1cc(CN[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370905 706884754 /nfs/dbraw/zinc/88/47/54/706884754.db2.gz LWCVTMPANOZCSG-HOCLYGCPSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999409099 706918908 /nfs/dbraw/zinc/91/89/08/706918908.db2.gz OIJQKFGTYLRFGA-BZOOQXSSSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999409099 706918911 /nfs/dbraw/zinc/91/89/11/706918911.db2.gz OIJQKFGTYLRFGA-BZOOQXSSSA-N 1 3 331.464 1.206 20 0 EDADHO COc1cccc(CN[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999437631 706944785 /nfs/dbraw/zinc/94/47/85/706944785.db2.gz XVXHAYGNSUJQGU-AEFFLSMTSA-N 1 3 348.491 1.757 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)C1)N(C)C ZINC000999492429 707028914 /nfs/dbraw/zinc/02/89/14/707028914.db2.gz BALDBQQMNMIUNC-JKSUJKDBSA-N 1 3 334.464 1.511 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)N(C)C ZINC000999495905 707032602 /nfs/dbraw/zinc/03/26/02/707032602.db2.gz MDSNMWBAPDDDGO-DLBZAZTESA-N 1 3 346.475 1.206 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876838 707525169 /nfs/dbraw/zinc/52/51/69/707525169.db2.gz ULRCNRJBCNKZIG-DAWZGUTISA-N 1 3 337.508 1.866 20 0 EDADHO COC(=O)c1ccc(CNCCC[N@@H+]2CCCN(C)CC2)c(F)c1 ZINC000921690489 707720402 /nfs/dbraw/zinc/72/04/02/707720402.db2.gz NNMBMTSBZMILTO-UHFFFAOYSA-N 1 3 337.439 1.730 20 0 EDADHO COC(=O)c1ccc(CNCCC[N@H+]2CCCN(C)CC2)c(F)c1 ZINC000921690489 707720407 /nfs/dbraw/zinc/72/04/07/707720407.db2.gz NNMBMTSBZMILTO-UHFFFAOYSA-N 1 3 337.439 1.730 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395866 707733960 /nfs/dbraw/zinc/73/39/60/707733960.db2.gz LFYKMJYRKUGNML-GOSISDBHSA-N 1 3 347.507 1.374 20 0 EDADHO CO[C@@H](C)CN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423924 707840527 /nfs/dbraw/zinc/84/05/27/707840527.db2.gz VRWADPLNFVABKI-QFBILLFUSA-N 1 3 347.503 1.972 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(CCn2cccn2)C1 ZINC001033475742 707966054 /nfs/dbraw/zinc/96/60/54/707966054.db2.gz QXPIIXWGHSCSMR-QGZVFWFLSA-N 1 3 333.480 1.148 20 0 EDADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489042 707982984 /nfs/dbraw/zinc/98/29/84/707982984.db2.gz DLFFGADDUCWBEQ-KRWDZBQOSA-N 1 3 333.480 1.557 20 0 EDADHO CN(C)c1ccncc1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001000712661 708063310 /nfs/dbraw/zinc/06/33/10/708063310.db2.gz CIYUQVRIAQJQBX-OAHLLOKOSA-N 1 3 342.447 1.276 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001033592525 708291074 /nfs/dbraw/zinc/29/10/74/708291074.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 1 3 345.487 1.940 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001033592525 708291076 /nfs/dbraw/zinc/29/10/76/708291076.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 1 3 345.487 1.940 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033595019 708297774 /nfs/dbraw/zinc/29/77/74/708297774.db2.gz PMRRHDIANPYBPY-CABCVRRESA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033595019 708297777 /nfs/dbraw/zinc/29/77/77/708297777.db2.gz PMRRHDIANPYBPY-CABCVRRESA-N 1 3 334.464 1.647 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001833969 708360373 /nfs/dbraw/zinc/36/03/73/708360373.db2.gz NEWGRZYLAWUIBR-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001833969 708360376 /nfs/dbraw/zinc/36/03/76/708360376.db2.gz NEWGRZYLAWUIBR-SUMWQHHRSA-N 1 3 348.491 1.817 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665939 708449748 /nfs/dbraw/zinc/44/97/48/708449748.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665939 708449750 /nfs/dbraw/zinc/44/97/50/708449750.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 1 3 344.503 1.737 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005474385 709110436 /nfs/dbraw/zinc/11/04/36/709110436.db2.gz DCVKMNZBIFUPCK-KRWDZBQOSA-N 1 3 348.495 1.075 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(CCn2cncn2)CC1 ZINC001005474385 709110439 /nfs/dbraw/zinc/11/04/39/709110439.db2.gz DCVKMNZBIFUPCK-KRWDZBQOSA-N 1 3 348.495 1.075 20 0 EDADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001034014701 709229505 /nfs/dbraw/zinc/22/95/05/709229505.db2.gz CJRDCKRPKVQQOT-IAGOWNOFSA-N 1 3 335.492 1.574 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850956 709461440 /nfs/dbraw/zinc/46/14/40/709461440.db2.gz FEYZTULNKRCNMA-CRAIPNDOSA-N 1 3 347.507 1.366 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850956 709461441 /nfs/dbraw/zinc/46/14/41/709461441.db2.gz FEYZTULNKRCNMA-CRAIPNDOSA-N 1 3 347.507 1.366 20 0 EDADHO O=C(N[C@H]1CCCCN(CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210287 709560306 /nfs/dbraw/zinc/56/03/06/709560306.db2.gz GKBLXAAFHGKZIF-HKUYNNGSSA-N 1 3 349.519 1.868 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)N1CCCCC1 ZINC001034213374 709565096 /nfs/dbraw/zinc/56/50/96/709565096.db2.gz XECYCLGYPIFBNH-MRXNPFEDSA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1)N1CCCCC1 ZINC001034213374 709565100 /nfs/dbraw/zinc/56/51/00/709565100.db2.gz XECYCLGYPIFBNH-MRXNPFEDSA-N 1 3 325.497 1.604 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319671 709769489 /nfs/dbraw/zinc/76/94/89/709769489.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 1 3 335.492 1.620 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319671 709769492 /nfs/dbraw/zinc/76/94/92/709769492.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)N1CCCC1 ZINC001003424152 710339485 /nfs/dbraw/zinc/33/94/85/710339485.db2.gz QKFRJCIZCSXPIB-UZLBHIALSA-N 1 3 349.519 1.868 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2cnon2)CC1)c1ccn2c[nH+]cc2c1 ZINC001034680157 710679043 /nfs/dbraw/zinc/67/90/43/710679043.db2.gz AQXZYCIOWCYXEE-HDJSIYSDSA-N 1 3 340.387 1.548 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735289 710920072 /nfs/dbraw/zinc/92/00/72/710920072.db2.gz DZBOHXACZAAUOY-BRSBDYLESA-N 1 3 337.508 1.914 20 0 EDADHO Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC001034737911 710951428 /nfs/dbraw/zinc/95/14/28/710951428.db2.gz OLIRTCAQTHBKQH-BRWVUGGUSA-N 1 3 345.491 1.786 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034775854 711050379 /nfs/dbraw/zinc/05/03/79/711050379.db2.gz KXKYWBIAPOVYLC-BRWVUGGUSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034775854 711050382 /nfs/dbraw/zinc/05/03/82/711050382.db2.gz KXKYWBIAPOVYLC-BRWVUGGUSA-N 1 3 345.491 1.644 20 0 EDADHO C[C@H](N[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776431 711053393 /nfs/dbraw/zinc/05/33/93/711053393.db2.gz UCUANNBTYGVQSZ-QAETUUGQSA-N 1 3 345.491 1.896 20 0 EDADHO C[C@H](N[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776431 711053396 /nfs/dbraw/zinc/05/33/96/711053396.db2.gz UCUANNBTYGVQSZ-QAETUUGQSA-N 1 3 345.491 1.896 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005740094 711284451 /nfs/dbraw/zinc/28/44/51/711284451.db2.gz DMGKNTPCXMUUNK-KGXSXCIVSA-N 1 3 347.503 1.573 20 0 EDADHO Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034942382 711395094 /nfs/dbraw/zinc/39/50/94/711395094.db2.gz XETYIRPFEKAIOI-AEFFLSMTSA-N 1 3 346.475 1.714 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391993 711457116 /nfs/dbraw/zinc/45/71/16/711457116.db2.gz IXWKPMBGFNZDKC-XSYGEPLQSA-N 1 3 345.487 1.745 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391993 711457118 /nfs/dbraw/zinc/45/71/18/711457118.db2.gz IXWKPMBGFNZDKC-XSYGEPLQSA-N 1 3 345.487 1.745 20 0 EDADHO CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870078 /nfs/dbraw/zinc/87/00/78/711870078.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 1 3 347.503 1.573 20 0 EDADHO CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870079 /nfs/dbraw/zinc/87/00/79/711870079.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 1 3 347.503 1.573 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623781 711925380 /nfs/dbraw/zinc/92/53/80/711925380.db2.gz QTZMUTARBKUDGH-OWLYRPNTSA-N 1 3 337.508 1.532 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623781 711925382 /nfs/dbraw/zinc/92/53/82/711925382.db2.gz QTZMUTARBKUDGH-OWLYRPNTSA-N 1 3 337.508 1.532 20 0 EDADHO CN(C[C@@](C)(O)CN1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000497175567 282082019 /nfs/dbraw/zinc/08/20/19/282082019.db2.gz FAYZRDJUPTXHFB-GOSISDBHSA-N 1 3 343.512 1.878 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000332279121 282148356 /nfs/dbraw/zinc/14/83/56/282148356.db2.gz QYYCRZFINYVRIP-IAGOWNOFSA-N 1 3 337.489 1.653 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000332279121 282148357 /nfs/dbraw/zinc/14/83/57/282148357.db2.gz QYYCRZFINYVRIP-IAGOWNOFSA-N 1 3 337.489 1.653 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCOC3)c2)C1 ZINC000248131811 539685747 /nfs/dbraw/zinc/68/57/47/539685747.db2.gz ONCKVISJMROTLF-ROUUACIJSA-N 1 3 331.460 1.653 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCOC3)c2)C1 ZINC000248131811 539685750 /nfs/dbraw/zinc/68/57/50/539685750.db2.gz ONCKVISJMROTLF-ROUUACIJSA-N 1 3 331.460 1.653 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)N2CCCC2)c1 ZINC000562795540 306309504 /nfs/dbraw/zinc/30/95/04/306309504.db2.gz NBYOTOVPEIMFLQ-SJLPKXTDSA-N 1 3 346.475 1.883 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000563206672 306323550 /nfs/dbraw/zinc/32/35/50/306323550.db2.gz MNFHOSDWCUJLMG-KRWDZBQOSA-N 1 3 345.491 1.324 20 0 EDADHO COCCN(C)c1ccc(CNCCC[N@@H+]2CCCN(C)CC2)cn1 ZINC000190961092 540172568 /nfs/dbraw/zinc/17/25/68/540172568.db2.gz DXNQGLIOKIOWLW-UHFFFAOYSA-N 1 3 349.523 1.281 20 0 EDADHO COCCN(C)c1ccc(CNCCC[N@H+]2CCCN(C)CC2)cn1 ZINC000190961092 540172569 /nfs/dbraw/zinc/17/25/69/540172569.db2.gz DXNQGLIOKIOWLW-UHFFFAOYSA-N 1 3 349.523 1.281 20 0 EDADHO C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCCN1 ZINC000422842503 299286498 /nfs/dbraw/zinc/28/64/98/299286498.db2.gz YLDTVJIIQWCYFG-RDJZCZTQSA-N 1 3 338.540 1.733 20 0 EDADHO CSC[C@H](O)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000564844367 306366878 /nfs/dbraw/zinc/36/68/78/306366878.db2.gz KMSPOQDWNXHEQD-GOSISDBHSA-N 1 3 337.533 1.902 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCN(C)CC1 ZINC000564938639 306370608 /nfs/dbraw/zinc/37/06/08/306370608.db2.gz RMWBONOYNHWRCO-GOSISDBHSA-N 1 3 347.507 1.217 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129780705 223091208 /nfs/dbraw/zinc/09/12/08/223091208.db2.gz PMMMJTDHFZKXPI-MRXNPFEDSA-N 1 3 348.491 1.720 20 0 EDADHO Cc1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000414322504 304106194 /nfs/dbraw/zinc/10/61/94/304106194.db2.gz SUQUZUKSXVOXSP-UHFFFAOYSA-N 1 3 328.464 1.425 20 0 EDADHO CN1CCN(CCNC(=O)NCC2([NH3+])CCCCCC2)CC1(C)C ZINC000565704306 306388823 /nfs/dbraw/zinc/38/88/23/306388823.db2.gz CJRFYSDSYXZRQA-UHFFFAOYSA-N 1 3 339.528 1.363 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566066472 306397566 /nfs/dbraw/zinc/39/75/66/306397566.db2.gz UQIASTOKEDTJGF-HKUYNNGSSA-N 1 3 344.503 1.261 20 0 EDADHO Cc1nc(C)c(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414481264 304117953 /nfs/dbraw/zinc/11/79/53/304117953.db2.gz KBZUHBSAXDMTOQ-UHFFFAOYSA-N 1 3 338.521 1.646 20 0 EDADHO CC(=O)Nc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414995901 304149177 /nfs/dbraw/zinc/14/91/77/304149177.db2.gz WQFRTGUSBYAAHI-OAHLLOKOSA-N 1 3 344.381 1.571 20 0 EDADHO COCCOc1cc(C)ccc1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415090213 304158642 /nfs/dbraw/zinc/15/86/42/304158642.db2.gz XRAXWNOSIPMXPF-MRXNPFEDSA-N 1 3 349.475 1.307 20 0 EDADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000415140635 304163503 /nfs/dbraw/zinc/16/35/03/304163503.db2.gz LBFNWXZGVYRGCZ-UHFFFAOYSA-N 1 3 327.428 1.946 20 0 EDADHO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000237287092 139046548 /nfs/dbraw/zinc/04/65/48/139046548.db2.gz QRHYCGBPJIYWGY-HZPDHXFCSA-N 1 3 330.476 1.674 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602728 139055445 /nfs/dbraw/zinc/05/54/45/139055445.db2.gz ZZIMEWQCEXFNAT-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000237718525 139058510 /nfs/dbraw/zinc/05/85/10/139058510.db2.gz VLBWGEUOWVYPJN-GOSISDBHSA-N 1 3 344.503 1.704 20 0 EDADHO COC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071360 139157847 /nfs/dbraw/zinc/15/78/47/139157847.db2.gz MPOUFLAEFHJJPC-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO COC[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071360 139157848 /nfs/dbraw/zinc/15/78/48/139157848.db2.gz MPOUFLAEFHJJPC-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO COC[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071360 139157849 /nfs/dbraw/zinc/15/78/49/139157849.db2.gz MPOUFLAEFHJJPC-RTBURBONSA-N 1 3 345.487 1.899 20 0 EDADHO CCCN(C(=O)C(=O)Nc1cccc(CN(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000415409775 304215974 /nfs/dbraw/zinc/21/59/74/304215974.db2.gz ULHLAACPKBRUKA-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000261644577 139213894 /nfs/dbraw/zinc/21/38/94/139213894.db2.gz GVEPHWMMBGDEAT-HIFRSBDPSA-N 1 3 325.478 1.415 20 0 EDADHO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000261668072 139215826 /nfs/dbraw/zinc/21/58/26/139215826.db2.gz JYISNCRYTUAXDQ-UHFFFAOYSA-N 1 3 325.478 1.368 20 0 EDADHO NS(=O)(=O)c1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261737782 139222009 /nfs/dbraw/zinc/22/20/09/139222009.db2.gz NRBQLLVTGUHWFU-BBWFWOEESA-N 1 3 337.489 1.387 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261825991 139229511 /nfs/dbraw/zinc/22/95/11/139229511.db2.gz MUWOYDANEQBZIS-BRWVUGGUSA-N 1 3 337.508 1.724 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000261935735 139238475 /nfs/dbraw/zinc/23/84/75/139238475.db2.gz LZUJHXGOJWLTAH-KRWDZBQOSA-N 1 3 331.460 1.762 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)cc1 ZINC000261964497 139240405 /nfs/dbraw/zinc/24/04/05/139240405.db2.gz HQAMOWVQQOPVGN-SFHVURJKSA-N 1 3 341.459 1.692 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000415969225 251041186 /nfs/dbraw/zinc/04/11/86/251041186.db2.gz FJDNLDWSBJNACM-UHFFFAOYSA-N 1 3 346.475 1.982 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000417012847 251130074 /nfs/dbraw/zinc/13/00/74/251130074.db2.gz XSCRXCPGYKQLGZ-RBSFLKMASA-N 1 3 340.493 1.011 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417014720 251131784 /nfs/dbraw/zinc/13/17/84/251131784.db2.gz FTPVNMZOVUINHK-QGZVFWFLSA-N 1 3 347.507 1.088 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417020152 251134794 /nfs/dbraw/zinc/13/47/94/251134794.db2.gz RRRFTIDZBWKLQH-MAUKXSAKSA-N 1 3 330.476 1.814 20 0 EDADHO C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)N1CCC[C@@H](C)C1 ZINC000417023788 251137139 /nfs/dbraw/zinc/13/71/39/251137139.db2.gz WQDHKRSGFNBUKE-HZPDHXFCSA-N 1 3 340.512 1.646 20 0 EDADHO CC(C)(CNC(=O)N[C@H](C[NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417085889 251141661 /nfs/dbraw/zinc/14/16/61/251141661.db2.gz DGLSVFAYPFKRBH-QGZVFWFLSA-N 1 3 330.476 1.860 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)N[C@H](CCN(C)CCOC)c2ccccc2)C1 ZINC000417521554 251183213 /nfs/dbraw/zinc/18/32/13/251183213.db2.gz ZHMVECZSZKXTBG-QZTJIDSGSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596323 251202462 /nfs/dbraw/zinc/20/24/62/251202462.db2.gz ZUBWYRUHLRUEBD-QFBILLFUSA-N 1 3 330.476 1.902 20 0 EDADHO COc1cc(NC(=O)N[C@@H](C)C[NH+](C)C)ccc1OCCN(C)C ZINC000417690574 251231437 /nfs/dbraw/zinc/23/14/37/251231437.db2.gz VFDCJRSEGWZDMK-ZDUSSCGKSA-N 1 3 338.452 1.707 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417760024 251259846 /nfs/dbraw/zinc/25/98/46/251259846.db2.gz XBVXQPMSWUZRNE-DLBZAZTESA-N 1 3 334.464 1.091 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719165 251240762 /nfs/dbraw/zinc/24/07/62/251240762.db2.gz WLPLUCZMXNLZQD-ROUUACIJSA-N 1 3 348.491 1.830 20 0 EDADHO CN(C)C1(CNC(=O)NCCC[NH2+]C2CC2)Cc2ccccc2C1 ZINC000417732983 251246076 /nfs/dbraw/zinc/24/60/76/251246076.db2.gz HYSWSJKSVCUDCF-UHFFFAOYSA-N 1 3 330.476 1.527 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000417812392 251280253 /nfs/dbraw/zinc/28/02/53/251280253.db2.gz FFCKFEDXVIFQIE-MRXNPFEDSA-N 1 3 328.526 1.455 20 0 EDADHO C[NH2+]CCCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418079445 251321389 /nfs/dbraw/zinc/32/13/89/251321389.db2.gz YFRYXVOCERAYPG-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418104171 251322713 /nfs/dbraw/zinc/32/27/13/251322713.db2.gz JYANTSGYLVDLIV-GBESFXJTSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418115400 251329237 /nfs/dbraw/zinc/32/92/37/251329237.db2.gz OFOQONDFKLNOIA-BZUAXINKSA-N 1 3 326.485 1.175 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1)N(C)C ZINC000418163475 251350189 /nfs/dbraw/zinc/35/01/89/251350189.db2.gz DLQJRYXPYWSJHF-UXLLHSPISA-N 1 3 334.464 1.355 20 0 EDADHO COC[C@]1(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000418192900 251353747 /nfs/dbraw/zinc/35/37/47/251353747.db2.gz ZEDHPODBVPPZMJ-KVSKMBFKSA-N 1 3 348.491 1.746 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418721184 251397086 /nfs/dbraw/zinc/39/70/86/251397086.db2.gz LXQYUUTZUGXOAX-LSDHHAIUSA-N 1 3 347.463 1.439 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN1C ZINC000418686299 251386720 /nfs/dbraw/zinc/38/67/20/251386720.db2.gz ORLUOBBSQGWZFT-LEUOFYLZSA-N 1 3 330.476 1.866 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262623995 139290929 /nfs/dbraw/zinc/29/09/29/139290929.db2.gz FNIOCPMGJHVFHD-ZWKOTPCHSA-N 1 3 347.503 1.922 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000262628340 139291325 /nfs/dbraw/zinc/29/13/25/139291325.db2.gz CVCBXQZNWNKZKZ-UHFFFAOYSA-N 1 3 346.519 1.959 20 0 EDADHO CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900906 252016410 /nfs/dbraw/zinc/01/64/10/252016410.db2.gz KHNGXKFBCATKGJ-NVXWUHKLSA-N 1 3 339.505 1.933 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044098 252027722 /nfs/dbraw/zinc/02/77/22/252027722.db2.gz ATOCPWVCKZOQIX-DOTOQJQBSA-N 1 3 337.489 1.834 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906275 252018702 /nfs/dbraw/zinc/01/87/02/252018702.db2.gz JLCGCTCVUUZKCD-MSOLQXFVSA-N 1 3 332.492 1.728 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000423791195 252076015 /nfs/dbraw/zinc/07/60/15/252076015.db2.gz HCYJEZCMFVDBGX-QRVBRYPASA-N 1 3 344.503 1.996 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424150940 252146179 /nfs/dbraw/zinc/14/61/79/252146179.db2.gz ZYWCJFBGALZXDN-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424130379 252134507 /nfs/dbraw/zinc/13/45/07/252134507.db2.gz HNPRDSRJDUAXIZ-OAHLLOKOSA-N 1 3 328.420 1.517 20 0 EDADHO C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000424245834 252177566 /nfs/dbraw/zinc/17/75/66/252177566.db2.gz VCLAQVACQLNSGC-ZFVVBOAOSA-N 1 3 327.432 1.009 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286404 224084091 /nfs/dbraw/zinc/08/40/91/224084091.db2.gz ZSUQGHCUYOFRKC-HGTKMLMNSA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286404 224084092 /nfs/dbraw/zinc/08/40/92/224084092.db2.gz ZSUQGHCUYOFRKC-HGTKMLMNSA-N 1 3 336.432 1.473 20 0 EDADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424298472 252192576 /nfs/dbraw/zinc/19/25/76/252192576.db2.gz DGFFHSYXWHLMEC-HZPDHXFCSA-N 1 3 349.475 1.912 20 0 EDADHO COC(=O)CC1CC([NH2+]CC2(N3CCCCC3)CCN(C)CC2)C1 ZINC000424311931 252194664 /nfs/dbraw/zinc/19/46/64/252194664.db2.gz LLGOQGZBYMFCLD-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424320405 252196240 /nfs/dbraw/zinc/19/62/40/252196240.db2.gz RNMCHDZZHOABGC-CZUORRHYSA-N 1 3 333.432 1.425 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832047 285024494 /nfs/dbraw/zinc/02/44/94/285024494.db2.gz BMMAWXUEZSTYCG-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1CN(C)C ZINC000415675329 304253887 /nfs/dbraw/zinc/25/38/87/304253887.db2.gz LQBGYZIHMVCIMR-CZUORRHYSA-N 1 3 332.448 1.252 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000153588413 224126935 /nfs/dbraw/zinc/12/69/35/224126935.db2.gz FTNFDEVFQGNLCH-MRXNPFEDSA-N 1 3 349.479 1.258 20 0 EDADHO COC[C@@H](C)NC(=[NH2+])NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000369879409 285206372 /nfs/dbraw/zinc/20/63/72/285206372.db2.gz ZNTJQTGUCGECBJ-QFWMXSHPSA-N 1 3 336.402 1.941 20 0 EDADHO COCCN(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000263808600 139361954 /nfs/dbraw/zinc/36/19/54/139361954.db2.gz YZQOEABFYFMEEP-UHFFFAOYSA-N 1 3 336.480 1.338 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581028 285242603 /nfs/dbraw/zinc/24/26/03/285242603.db2.gz NUAYREZRRGJAIE-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581028 285242607 /nfs/dbraw/zinc/24/26/07/285242607.db2.gz NUAYREZRRGJAIE-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179065 255028104 /nfs/dbraw/zinc/02/81/04/255028104.db2.gz CQDFHWMKDJPVFV-YJBOKZPZSA-N 1 3 330.476 1.965 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179065 255028106 /nfs/dbraw/zinc/02/81/06/255028106.db2.gz CQDFHWMKDJPVFV-YJBOKZPZSA-N 1 3 330.476 1.965 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](OC)C(C)C ZINC000342253527 285244234 /nfs/dbraw/zinc/24/42/34/285244234.db2.gz UURFBZAKBFWQQR-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H](OC)C(C)C ZINC000342253527 285244235 /nfs/dbraw/zinc/24/42/35/285244235.db2.gz UURFBZAKBFWQQR-SJORKVTESA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756214 285246547 /nfs/dbraw/zinc/24/65/47/285246547.db2.gz ABLLZALOAPGVIB-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756214 285246550 /nfs/dbraw/zinc/24/65/50/285246550.db2.gz ABLLZALOAPGVIB-IAGOWNOFSA-N 1 3 325.497 1.678 20 0 EDADHO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)CS1 ZINC000488421670 255043311 /nfs/dbraw/zinc/04/33/11/255043311.db2.gz TUSUUMAQSXMYFX-DLBZAZTESA-N 1 3 343.581 1.886 20 0 EDADHO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000494287698 255244258 /nfs/dbraw/zinc/24/42/58/255244258.db2.gz LROYRVYKNUWFLN-MRXNPFEDSA-N 1 3 337.464 1.005 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263727 /nfs/dbraw/zinc/26/37/27/255263727.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263728 /nfs/dbraw/zinc/26/37/28/255263728.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2c(c1)nnn2C ZINC000349063593 285282368 /nfs/dbraw/zinc/28/23/68/285282368.db2.gz QTQJNIVBUCNMJB-KRWDZBQOSA-N 1 3 344.507 1.816 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc2c(c1)nnn2C ZINC000349063593 285282370 /nfs/dbraw/zinc/28/23/70/285282370.db2.gz QTQJNIVBUCNMJB-KRWDZBQOSA-N 1 3 344.507 1.816 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756147 285321692 /nfs/dbraw/zinc/32/16/92/285321692.db2.gz RWUDOMBWFBZPRO-NVXWUHKLSA-N 1 3 339.528 1.077 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000571994212 306578813 /nfs/dbraw/zinc/57/88/13/306578813.db2.gz MQDMDXFDRWEUEM-GOSISDBHSA-N 1 3 341.540 1.560 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000331907235 141096507 /nfs/dbraw/zinc/09/65/07/141096507.db2.gz LMCFPKZAYAJIOV-JFIYKMOQSA-N 1 3 336.480 1.065 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000333433978 141316591 /nfs/dbraw/zinc/31/65/91/141316591.db2.gz VCPFIJKGMYPULE-OKZBNKHCSA-N 1 3 342.487 1.464 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000333526076 141331739 /nfs/dbraw/zinc/33/17/39/141331739.db2.gz HGOSXBRJEMXYAM-HUUCEWRRSA-N 1 3 331.464 1.690 20 0 EDADHO C[C@@H](NC(=O)C(=O)N[C@@H](C)CN1CCCCC1)C(C)(C)C[NH+](C)C ZINC000340254493 142321090 /nfs/dbraw/zinc/32/10/90/142321090.db2.gz HYDHTRAGGMECNN-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@@H+]1C ZINC000345319950 143077330 /nfs/dbraw/zinc/07/73/30/143077330.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 1 3 344.503 1.647 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CCC[N@H+]1C ZINC000345319950 143077331 /nfs/dbraw/zinc/07/73/31/143077331.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 1 3 344.503 1.647 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000345666396 143118827 /nfs/dbraw/zinc/11/88/27/143118827.db2.gz NIGJYNPCDHIYNW-CVEARBPZSA-N 1 3 328.501 1.466 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)N(C)C1 ZINC000346227119 143181052 /nfs/dbraw/zinc/18/10/52/143181052.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)N(C)C1 ZINC000346227119 143181053 /nfs/dbraw/zinc/18/10/53/143181053.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)N(C)C1 ZINC000346700959 143234202 /nfs/dbraw/zinc/23/42/02/143234202.db2.gz JBFNEWMVTSBBTC-CVEARBPZSA-N 1 3 325.497 1.676 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000347034610 143274355 /nfs/dbraw/zinc/27/43/55/143274355.db2.gz CQDJVMKDRIALMV-INIZCTEOSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000416843582 304351081 /nfs/dbraw/zinc/35/10/81/304351081.db2.gz PDRTYVKYTRMIDL-KRWDZBQOSA-N 1 3 332.492 1.848 20 0 EDADHO CC1CCN(C[C@@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307860 149360139 /nfs/dbraw/zinc/36/01/39/149360139.db2.gz LTBKBSHQFNZFJV-FQEVSTJZSA-N 1 3 346.519 1.728 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307860 149360142 /nfs/dbraw/zinc/36/01/42/149360142.db2.gz LTBKBSHQFNZFJV-FQEVSTJZSA-N 1 3 346.519 1.728 20 0 EDADHO CO[C@H]1C[C@H](CN2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029260 286105798 /nfs/dbraw/zinc/10/57/98/286105798.db2.gz RJUOZEQBQVTCLQ-MSOLQXFVSA-N 1 3 337.508 1.819 20 0 EDADHO CCCN(C(=O)NCc1ccc(OCCN(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000416968728 304356944 /nfs/dbraw/zinc/35/69/44/304356944.db2.gz JQKWYXDKHUDETM-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CN1 ZINC000416970016 304357428 /nfs/dbraw/zinc/35/74/28/304357428.db2.gz MKUDMLNWWTUNET-HUUCEWRRSA-N 1 3 334.464 1.519 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000416972339 304358349 /nfs/dbraw/zinc/35/83/49/304358349.db2.gz GANOCQZYTLZBMG-AWEZNQCLSA-N 1 3 344.406 1.409 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CC[C@H](NC(N)=O)C2)CC1 ZINC000355202517 150164197 /nfs/dbraw/zinc/16/41/97/150164197.db2.gz WCXLTAGSJUXSAG-INIZCTEOSA-N 1 3 331.464 1.071 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355482541 150287482 /nfs/dbraw/zinc/28/74/82/150287482.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000355482541 150287485 /nfs/dbraw/zinc/28/74/85/150287485.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000417040479 304365220 /nfs/dbraw/zinc/36/52/20/304365220.db2.gz XWBDCWZGRDUNOA-CQSZACIVSA-N 1 3 332.439 1.795 20 0 EDADHO CN(CCSc1nnnn1CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000357734286 151130805 /nfs/dbraw/zinc/13/08/05/151130805.db2.gz WHKBQKDLYAFZTR-UHFFFAOYSA-N 1 3 338.456 1.598 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040680 151244832 /nfs/dbraw/zinc/24/48/32/151244832.db2.gz SFEOSKWIGYANDF-JKSUJKDBSA-N 1 3 349.541 1.041 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000370075285 155315272 /nfs/dbraw/zinc/31/52/72/155315272.db2.gz PBCJEYLFIOQTCL-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO COCCCN(C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370075285 155315274 /nfs/dbraw/zinc/31/52/74/155315274.db2.gz PBCJEYLFIOQTCL-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360789599 152206170 /nfs/dbraw/zinc/20/61/70/152206170.db2.gz VWMJDAMOSNQRIE-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(OCCN(C)C)CC1 ZINC000360789599 152206174 /nfs/dbraw/zinc/20/61/74/152206174.db2.gz VWMJDAMOSNQRIE-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897632 152245235 /nfs/dbraw/zinc/24/52/35/152245235.db2.gz MWLKZGHGOGGHAY-IYBDPMFKSA-N 1 3 325.497 1.819 20 0 EDADHO CCCN(C(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@H]1CC[NH2+]C1 ZINC000417178420 304381022 /nfs/dbraw/zinc/38/10/22/304381022.db2.gz DPFHQENSUZTUEZ-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417192792 304382731 /nfs/dbraw/zinc/38/27/31/304382731.db2.gz KWAJUUAVKRNGKD-QZTJIDSGSA-N 1 3 332.492 1.848 20 0 EDADHO C[C@H](NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)C(C)(C)C[NH+](C)C ZINC000364120940 153150062 /nfs/dbraw/zinc/15/00/62/153150062.db2.gz JTZVPQFOFBPFPT-MOROJQBDSA-N 1 3 325.497 1.611 20 0 EDADHO CCN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207343 /nfs/dbraw/zinc/20/73/43/153207343.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207348 /nfs/dbraw/zinc/20/73/48/153207348.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@@H]3CC[N@@H+](CC)C[C@H]3C)C2)no1 ZINC000367703461 154234952 /nfs/dbraw/zinc/23/49/52/154234952.db2.gz YNAGIBYYHSXCLX-OWCLPIDISA-N 1 3 335.496 1.916 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@@H]3CC[N@H+](CC)C[C@H]3C)C2)no1 ZINC000367703461 154234956 /nfs/dbraw/zinc/23/49/56/154234956.db2.gz YNAGIBYYHSXCLX-OWCLPIDISA-N 1 3 335.496 1.916 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000417373430 304395242 /nfs/dbraw/zinc/39/52/42/304395242.db2.gz YBBXEFZNTUUJSV-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)(C)C ZINC000369447705 155039260 /nfs/dbraw/zinc/03/92/60/155039260.db2.gz KZZATYYADDUJIZ-XHSDSOJGSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C[C@@H]1[NH3+] ZINC000417527981 304403305 /nfs/dbraw/zinc/40/33/05/304403305.db2.gz OQEZBZKAOQBSLH-YOEHRIQHSA-N 1 3 334.464 1.158 20 0 EDADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285819 157226640 /nfs/dbraw/zinc/22/66/40/157226640.db2.gz DLOPGKUYCFXWFK-ZIAGYGMSSA-N 1 3 336.480 1.417 20 0 EDADHO CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285819 157226643 /nfs/dbraw/zinc/22/66/43/157226643.db2.gz DLOPGKUYCFXWFK-ZIAGYGMSSA-N 1 3 336.480 1.417 20 0 EDADHO CN1CCN(C2(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])CCCCCC2)CC1 ZINC000378199595 158106102 /nfs/dbraw/zinc/10/61/02/158106102.db2.gz AQRLORDOYDKTIE-IAGOWNOFSA-N 1 3 336.524 1.570 20 0 EDADHO CCC[NH+]1CCC(N2CCN(C(=O)C3(N)CCCCC3)CC2)CC1 ZINC000378205620 158109016 /nfs/dbraw/zinc/10/90/16/158109016.db2.gz MZDNYUXEIKQEQM-UHFFFAOYSA-N 1 3 336.524 1.667 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000074109427 287267525 /nfs/dbraw/zinc/26/75/25/287267525.db2.gz MXWYDPCSKFPLAE-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000074109427 287267526 /nfs/dbraw/zinc/26/75/26/287267526.db2.gz MXWYDPCSKFPLAE-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100624 287267616 /nfs/dbraw/zinc/26/76/16/287267616.db2.gz SDCNMDYKROYYSE-GOEBONIOSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100624 287267618 /nfs/dbraw/zinc/26/76/18/287267618.db2.gz SDCNMDYKROYYSE-GOEBONIOSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289420 304475185 /nfs/dbraw/zinc/47/51/85/304475185.db2.gz XWALWKRYWSLXJJ-UHFFFAOYSA-N 1 3 340.512 1.790 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000665758393 452328560 /nfs/dbraw/zinc/32/85/60/452328560.db2.gz HAQMCMSNNPMGQZ-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000665758393 452328573 /nfs/dbraw/zinc/32/85/73/452328573.db2.gz HAQMCMSNNPMGQZ-XHSDSOJGSA-N 1 3 328.501 1.109 20 0 EDADHO COc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000130287569 287490076 /nfs/dbraw/zinc/49/00/76/287490076.db2.gz IRGUCQIQICLBPA-QAPCUYQASA-N 1 3 331.460 1.948 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000237402413 273009712 /nfs/dbraw/zinc/00/97/12/273009712.db2.gz GZXIZPIKUPVCKH-WBVHZDCISA-N 1 3 331.460 1.612 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236996473 267922666 /nfs/dbraw/zinc/92/26/66/267922666.db2.gz FZEBJMWTTASYDJ-INIZCTEOSA-N 1 3 330.476 1.558 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CCN(C)CC1 ZINC000274381065 268131659 /nfs/dbraw/zinc/13/16/59/268131659.db2.gz AVWWUSXSAVXSML-CQSZACIVSA-N 1 3 327.428 1.913 20 0 EDADHO C[C@H](NC[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972287 268254221 /nfs/dbraw/zinc/25/42/21/268254221.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H](NC[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972287 268254222 /nfs/dbraw/zinc/25/42/22/268254222.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274972287 268254224 /nfs/dbraw/zinc/25/42/24/268254224.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H](Cn1cccn1)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000273977378 273063981 /nfs/dbraw/zinc/06/39/81/273063981.db2.gz HIFBCQHOBSXQHC-NVXWUHKLSA-N 1 3 329.448 1.280 20 0 EDADHO CCN(CCO)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274535639 273093558 /nfs/dbraw/zinc/09/35/58/273093558.db2.gz JNIGQHCYTRSLAK-UHFFFAOYSA-N 1 3 333.476 1.329 20 0 EDADHO CCN(CC)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188180560 276092942 /nfs/dbraw/zinc/09/29/42/276092942.db2.gz VLABKHWFOITVIP-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CCN(CC)CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188180560 276092943 /nfs/dbraw/zinc/09/29/43/276092943.db2.gz VLABKHWFOITVIP-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341326687 279332202 /nfs/dbraw/zinc/33/22/02/279332202.db2.gz XORQNLURUHGMRI-HOTGVXAUSA-N 1 3 325.522 1.804 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnc(OC)c1 ZINC000287198676 288178829 /nfs/dbraw/zinc/17/88/29/288178829.db2.gz DQEHVCMNOCYGKO-INIZCTEOSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnc(OC)c1 ZINC000287198676 288178830 /nfs/dbraw/zinc/17/88/30/288178830.db2.gz DQEHVCMNOCYGKO-INIZCTEOSA-N 1 3 349.479 1.970 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341070495 289138087 /nfs/dbraw/zinc/13/80/87/289138087.db2.gz QGFBNLSNXKJNBM-ULQDDVLXSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341070495 289138089 /nfs/dbraw/zinc/13/80/89/289138089.db2.gz QGFBNLSNXKJNBM-ULQDDVLXSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860406 289604796 /nfs/dbraw/zinc/60/47/96/289604796.db2.gz MAUOMMOJEUJRFQ-YVWKXTFCSA-N 1 3 344.503 1.468 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H]1C ZINC000417738740 300576962 /nfs/dbraw/zinc/57/69/62/300576962.db2.gz PLOZDUIVZSFPAX-HUUCEWRRSA-N 1 3 330.476 1.477 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000448475905 447322964 /nfs/dbraw/zinc/32/29/64/447322964.db2.gz WZOVCMAYFUAXMC-INIZCTEOSA-N 1 3 333.480 1.583 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCNc2ccncc2)C1 ZINC000448475905 447322966 /nfs/dbraw/zinc/32/29/66/447322966.db2.gz WZOVCMAYFUAXMC-INIZCTEOSA-N 1 3 333.480 1.583 20 0 EDADHO COC1(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC000664702066 453331719 /nfs/dbraw/zinc/33/17/19/453331719.db2.gz NEUFRHVWKZILTI-INIZCTEOSA-N 1 3 342.528 1.907 20 0 EDADHO COC1(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC000664702066 453331730 /nfs/dbraw/zinc/33/17/30/453331730.db2.gz NEUFRHVWKZILTI-INIZCTEOSA-N 1 3 342.528 1.907 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000414856603 447330614 /nfs/dbraw/zinc/33/06/14/447330614.db2.gz ONDWHNBFMMSCMX-HUUCEWRRSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC[C@H]1C ZINC000664882981 453462316 /nfs/dbraw/zinc/46/23/16/453462316.db2.gz VMZBYCAFPFMUQD-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO C[C@@H](C[NH3+])CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414871621 447336580 /nfs/dbraw/zinc/33/65/80/447336580.db2.gz DPRQLSDSHGDHEN-AWEZNQCLSA-N 1 3 341.883 1.735 20 0 EDADHO C[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232763 303858021 /nfs/dbraw/zinc/85/80/21/303858021.db2.gz GYWSOYBVQCUHDV-LSDHHAIUSA-N 1 3 341.496 1.821 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCN1CC ZINC000414884136 447343357 /nfs/dbraw/zinc/34/33/57/447343357.db2.gz URPISEXCJBWYFX-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO COc1cc(OC)c([C@H](C)NCCN2CC[NH2+]CC2)cc1Cl ZINC000423206271 304889536 /nfs/dbraw/zinc/88/95/36/304889536.db2.gz QGHGEWHSSLVCMA-LBPRGKRZSA-N 1 3 327.856 1.913 20 0 EDADHO CC[C@H](NCCN1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423209824 304889599 /nfs/dbraw/zinc/88/95/99/304889599.db2.gz VWAUXMPWANWWRN-KRWDZBQOSA-N 1 3 348.491 1.100 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000423425956 304895564 /nfs/dbraw/zinc/89/55/64/304895564.db2.gz DTCOMWPHFFNNED-KXBFYZLASA-N 1 3 345.487 1.648 20 0 EDADHO Cn1cc(C(=O)Nc2ccc3c(c2)CNCC3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424074731 304927713 /nfs/dbraw/zinc/92/77/13/304927713.db2.gz HTSAOIWVRQTPKP-CQSZACIVSA-N 1 3 339.443 1.785 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000414897498 447347868 /nfs/dbraw/zinc/34/78/68/447347868.db2.gz BYUREOBUVYYTPO-MRXNPFEDSA-N 1 3 346.475 1.535 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(OCCN2CCCC2)cc1 ZINC000427325566 304988728 /nfs/dbraw/zinc/98/87/28/304988728.db2.gz XHZUWKQWKNLFQA-KRWDZBQOSA-N 1 3 331.460 1.777 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430746503 305063899 /nfs/dbraw/zinc/06/38/99/305063899.db2.gz HNQUOYJCFHTJGX-OAHLLOKOSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430746503 305063900 /nfs/dbraw/zinc/06/39/00/305063900.db2.gz HNQUOYJCFHTJGX-OAHLLOKOSA-N 1 3 331.460 1.523 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433161092 305102220 /nfs/dbraw/zinc/10/22/20/305102220.db2.gz QJDAYHHYAKMSNQ-SFHVURJKSA-N 1 3 332.492 1.994 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105956 /nfs/dbraw/zinc/10/59/56/305105956.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105957 /nfs/dbraw/zinc/10/59/57/305105957.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 1 3 340.512 1.518 20 0 EDADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375124 305139380 /nfs/dbraw/zinc/13/93/80/305139380.db2.gz ZUJNJCIHXYCYKP-ZDUSSCGKSA-N 1 3 331.420 1.265 20 0 EDADHO C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443067853 305234358 /nfs/dbraw/zinc/23/43/58/305234358.db2.gz GYHXMUAUCORUIM-GDBMZVCRSA-N 1 3 332.448 1.462 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000446586576 305267362 /nfs/dbraw/zinc/26/73/62/305267362.db2.gz OTKIATAGDMMGKW-UHFFFAOYSA-N 1 3 348.491 1.617 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000448214900 305293917 /nfs/dbraw/zinc/29/39/17/305293917.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000448214900 305293918 /nfs/dbraw/zinc/29/39/18/305293918.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 1 3 340.512 1.374 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126842 305384315 /nfs/dbraw/zinc/38/43/15/305384315.db2.gz VAINENCEHFZXKY-SJLPKXTDSA-N 1 3 333.476 1.500 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000414908149 447351857 /nfs/dbraw/zinc/35/18/57/447351857.db2.gz BBZHDPJTGONFIL-KRWDZBQOSA-N 1 3 346.475 1.677 20 0 EDADHO CCOC(=O)N[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496721961 305677424 /nfs/dbraw/zinc/67/74/24/305677424.db2.gz QMXIPCPENXKHCK-VVLHAWIVSA-N 1 3 341.496 1.894 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000502556459 305692940 /nfs/dbraw/zinc/69/29/40/305692940.db2.gz KRCCTVNBJYYMPM-OKZBNKHCSA-N 1 3 335.492 1.573 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NCCCNCc2cccnc2)CC1 ZINC000514924603 305709674 /nfs/dbraw/zinc/70/96/74/305709674.db2.gz TXIBBYPWXOBELJ-UHFFFAOYSA-N 1 3 333.480 1.592 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000414914094 447355257 /nfs/dbraw/zinc/35/52/57/447355257.db2.gz WVUBLXXJTCEARU-INIZCTEOSA-N 1 3 346.475 1.535 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000414914094 447355264 /nfs/dbraw/zinc/35/52/64/447355264.db2.gz WVUBLXXJTCEARU-INIZCTEOSA-N 1 3 346.475 1.535 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000458421331 447358501 /nfs/dbraw/zinc/35/85/01/447358501.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000458421331 447358503 /nfs/dbraw/zinc/35/85/03/447358503.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc(-c2ccccc2)no1 ZINC000518482931 305761798 /nfs/dbraw/zinc/76/17/98/305761798.db2.gz RWAZVWYCCNZFDO-UHFFFAOYSA-N 1 3 346.435 1.116 20 0 EDADHO C[C@H](C1CC1)n1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000526176503 305835153 /nfs/dbraw/zinc/83/51/53/305835153.db2.gz DCOIBQBGGYKJRU-CQSZACIVSA-N 1 3 336.484 1.811 20 0 EDADHO COC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000537696106 306028833 /nfs/dbraw/zinc/02/88/33/306028833.db2.gz DWPGWDBMGNTYDD-KRWDZBQOSA-N 1 3 336.480 1.509 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000555415837 306202240 /nfs/dbraw/zinc/20/22/40/306202240.db2.gz PXLZHFPJDKWYRT-MRXNPFEDSA-N 1 3 328.526 1.455 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449692692 447386366 /nfs/dbraw/zinc/38/63/66/447386366.db2.gz BEMWETASXGJVRD-HXUWFJFHSA-N 1 3 347.503 1.659 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449692692 447386369 /nfs/dbraw/zinc/38/63/69/447386369.db2.gz BEMWETASXGJVRD-HXUWFJFHSA-N 1 3 347.503 1.659 20 0 EDADHO C[N@@H+]1CCC[C@H](CCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182837 453724022 /nfs/dbraw/zinc/72/40/22/453724022.db2.gz KYRIQXKEOUSZPQ-CQSZACIVSA-N 1 3 325.478 1.880 20 0 EDADHO C[N@H+]1CCC[C@H](CCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182837 453724027 /nfs/dbraw/zinc/72/40/27/453724027.db2.gz KYRIQXKEOUSZPQ-CQSZACIVSA-N 1 3 325.478 1.880 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449933714 447414313 /nfs/dbraw/zinc/41/43/13/447414313.db2.gz DOJDNYNZIKYVKA-SFHVURJKSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NCCCN1CCC(O)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449933714 447414321 /nfs/dbraw/zinc/41/43/21/447414321.db2.gz DOJDNYNZIKYVKA-SFHVURJKSA-N 1 3 337.508 1.747 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1Cl ZINC000103174098 441176902 /nfs/dbraw/zinc/17/69/02/441176902.db2.gz QTZFFJPXGMKJQB-UHFFFAOYSA-N 1 3 326.872 1.975 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000107329956 441409443 /nfs/dbraw/zinc/40/94/43/441409443.db2.gz PBBSLAUEXIIOOQ-UHFFFAOYSA-N 1 3 331.464 1.788 20 0 EDADHO CCC(O)(CC)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051761097 441422672 /nfs/dbraw/zinc/42/26/72/441422672.db2.gz AAMQBIHUFVXKMD-UHFFFAOYSA-N 1 3 340.512 1.395 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862143 441473716 /nfs/dbraw/zinc/47/37/16/441473716.db2.gz APYWMSAYDRVREM-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862143 441473722 /nfs/dbraw/zinc/47/37/22/441473722.db2.gz APYWMSAYDRVREM-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862140 441473817 /nfs/dbraw/zinc/47/38/17/441473817.db2.gz APYWMSAYDRVREM-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862140 441473822 /nfs/dbraw/zinc/47/38/22/441473822.db2.gz APYWMSAYDRVREM-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000074616580 441450414 /nfs/dbraw/zinc/45/04/14/441450414.db2.gz WPVNSUFDONMQEW-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000075956232 441569550 /nfs/dbraw/zinc/56/95/50/441569550.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCN1CCN(C)CC1 ZINC000075956232 441569551 /nfs/dbraw/zinc/56/95/51/441569551.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)s1 ZINC000090582409 441636795 /nfs/dbraw/zinc/63/67/95/441636795.db2.gz SPKCGVHEKPPAIU-SGMGOOAPSA-N 1 3 345.534 1.653 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)n1 ZINC000136844148 441728059 /nfs/dbraw/zinc/72/80/59/441728059.db2.gz XURRCJYBOPCWBA-UHFFFAOYSA-N 1 3 332.452 1.313 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)CNC[C@H]1CCCO1)c1ccccc1 ZINC000159118978 441789306 /nfs/dbraw/zinc/78/93/06/441789306.db2.gz VEFVOMNJBYMNBO-QZTJIDSGSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC000174404602 441923227 /nfs/dbraw/zinc/92/32/27/441923227.db2.gz NZVSVDAWYZYMNJ-HNNXBMFYSA-N 1 3 330.476 1.860 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000174852145 441976071 /nfs/dbraw/zinc/97/60/71/441976071.db2.gz GUMDOYGCNGMXFS-QGZVFWFLSA-N 1 3 344.503 1.852 20 0 EDADHO Cc1ccc(N2CC[C@@H](N(C)CCCN3CCN(C)CC3)C2=O)cc1 ZINC000174722757 441958573 /nfs/dbraw/zinc/95/85/73/441958573.db2.gz UHFGMNKMNXIRST-LJQANCHMSA-N 1 3 344.503 1.670 20 0 EDADHO Cc1ccc(N2CC[C@@H](N(C)CCC[NH+]3CCN(C)CC3)C2=O)cc1 ZINC000174722757 441958578 /nfs/dbraw/zinc/95/85/78/441958578.db2.gz UHFGMNKMNXIRST-LJQANCHMSA-N 1 3 344.503 1.670 20 0 EDADHO C[C@H](Cn1cc(Br)cn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151294620 442038566 /nfs/dbraw/zinc/03/85/66/442038566.db2.gz QIIMCBKCWRTCBP-OCCSQVGLSA-N 1 3 345.285 1.471 20 0 EDADHO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCNC[C@@H]3C)cc2)CC1 ZINC000126105937 442079384 /nfs/dbraw/zinc/07/93/84/442079384.db2.gz XIVGISJJRSUJLS-INIZCTEOSA-N 1 3 330.476 1.651 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000126323646 442099793 /nfs/dbraw/zinc/09/97/93/442099793.db2.gz LKXIBUZGVXLWEH-MAUKXSAKSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC(N2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)CC1 ZINC000128045913 442241847 /nfs/dbraw/zinc/24/18/47/442241847.db2.gz YCRRARSKVRMJFC-UHFFFAOYSA-N 1 3 344.494 1.864 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129664785 442327245 /nfs/dbraw/zinc/32/72/45/442327245.db2.gz KNUIQGXXWFMYAD-QZTJIDSGSA-N 1 3 332.492 1.752 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(=O)n2ccccc2n1 ZINC000177382639 442334839 /nfs/dbraw/zinc/33/48/39/442334839.db2.gz DRFKRRNXAUDNCA-UHFFFAOYSA-N 1 3 343.475 1.152 20 0 EDADHO CC[C@H](COC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000129252166 442308301 /nfs/dbraw/zinc/30/83/01/442308301.db2.gz QSUUQXNHSDMRBI-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO CC(=O)Nc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000131327018 442370274 /nfs/dbraw/zinc/37/02/74/442370274.db2.gz ALTPTBUNYMLBOS-UHFFFAOYSA-N 1 3 349.479 1.911 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)COC ZINC000494612442 447448745 /nfs/dbraw/zinc/44/87/45/447448745.db2.gz NNZQCTAQQXREFU-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC(C)(C)COC ZINC000494612442 447448752 /nfs/dbraw/zinc/44/87/52/447448752.db2.gz NNZQCTAQQXREFU-MRXNPFEDSA-N 1 3 342.528 1.717 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(C(=O)NCCN(C)C)cc2)CCC[NH2+]1 ZINC000134599681 442500205 /nfs/dbraw/zinc/50/02/05/442500205.db2.gz DRQIATUZTONDOF-IBGZPJMESA-N 1 3 346.475 1.126 20 0 EDADHO CC[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]1 ZINC000134613794 442501354 /nfs/dbraw/zinc/50/13/54/442501354.db2.gz XBVVWQAZXHVOSB-HXUWFJFHSA-N 1 3 345.487 1.792 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@H](CN)c3ccccc3)CC2)CC1 ZINC000178743545 442472493 /nfs/dbraw/zinc/47/24/93/442472493.db2.gz WJVGQMMSJPOIBY-LJQANCHMSA-N 1 3 344.503 1.404 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000157137209 442553512 /nfs/dbraw/zinc/55/35/12/442553512.db2.gz ZENQTHRJBLVUAC-KRWDZBQOSA-N 1 3 330.476 1.526 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000157137209 442553516 /nfs/dbraw/zinc/55/35/16/442553516.db2.gz ZENQTHRJBLVUAC-KRWDZBQOSA-N 1 3 330.476 1.526 20 0 EDADHO CCOC(=O)CCN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157499629 442588862 /nfs/dbraw/zinc/58/88/62/442588862.db2.gz GCQPREMORYIEHD-UHFFFAOYSA-N 1 3 341.496 1.356 20 0 EDADHO CN1CCC(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000186575280 442565478 /nfs/dbraw/zinc/56/54/78/442565478.db2.gz RBYNIAWPRFCBOH-GOSISDBHSA-N 1 3 330.476 1.894 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192475360 442651639 /nfs/dbraw/zinc/65/16/39/442651639.db2.gz HOTIKJCLXRVUSW-CQSZACIVSA-N 1 3 348.516 1.716 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000135641696 442621338 /nfs/dbraw/zinc/62/13/38/442621338.db2.gz JXEFFVWDWBYCAM-MRXNPFEDSA-N 1 3 349.479 1.163 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)ccn1 ZINC000135641696 442621342 /nfs/dbraw/zinc/62/13/42/442621342.db2.gz JXEFFVWDWBYCAM-MRXNPFEDSA-N 1 3 349.479 1.163 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192850682 442692715 /nfs/dbraw/zinc/69/27/15/442692715.db2.gz WGWCBXVSVUVHSJ-KDURUIRLSA-N 1 3 340.556 1.444 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192850682 442692717 /nfs/dbraw/zinc/69/27/17/442692717.db2.gz WGWCBXVSVUVHSJ-KDURUIRLSA-N 1 3 340.556 1.444 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000182243640 442749025 /nfs/dbraw/zinc/74/90/25/442749025.db2.gz SRZAORJMOSLONL-UHFFFAOYSA-N 1 3 339.528 1.141 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246372894 442776306 /nfs/dbraw/zinc/77/63/06/442776306.db2.gz GQKDKGXWXSSVRC-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246372894 442776309 /nfs/dbraw/zinc/77/63/09/442776309.db2.gz GQKDKGXWXSSVRC-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000265655820 442865622 /nfs/dbraw/zinc/86/56/22/442865622.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000265655820 442865626 /nfs/dbraw/zinc/86/56/26/442865626.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H](NC[C@@H](O)COC1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620206 442908636 /nfs/dbraw/zinc/90/86/36/442908636.db2.gz ZZFRILUEBGAUMQ-XYJFISCASA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@@H](O)COC1CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620206 442908640 /nfs/dbraw/zinc/90/86/40/442908640.db2.gz ZZFRILUEBGAUMQ-XYJFISCASA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000248620206 442908646 /nfs/dbraw/zinc/90/86/46/442908646.db2.gz ZZFRILUEBGAUMQ-XYJFISCASA-N 1 3 340.508 1.786 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000415198112 319349656 /nfs/dbraw/zinc/34/96/56/319349656.db2.gz ULHUYADQXQNKHX-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415222007 319353489 /nfs/dbraw/zinc/35/34/89/319353489.db2.gz PSIROSHJODXLFG-CZUORRHYSA-N 1 3 330.432 1.169 20 0 EDADHO C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415229242 319354251 /nfs/dbraw/zinc/35/42/51/319354251.db2.gz LUMPARXKDKVOKG-BBRMVZONSA-N 1 3 330.432 1.169 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970183 319386149 /nfs/dbraw/zinc/38/61/49/319386149.db2.gz FHDVRAKABJVVDO-HNNXBMFYSA-N 1 3 333.480 1.540 20 0 EDADHO C[C@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000266958568 443303546 /nfs/dbraw/zinc/30/35/46/443303546.db2.gz ZFGJNZGXUNRFJH-HKUYNNGSSA-N 1 3 344.503 1.607 20 0 EDADHO C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272466545 443327679 /nfs/dbraw/zinc/32/76/79/443327679.db2.gz KWZDZZSAIUICFB-GDBMZVCRSA-N 1 3 325.478 1.036 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417953957 319498150 /nfs/dbraw/zinc/49/81/50/319498150.db2.gz PWYMNPZQSZZZDT-GDBMZVCRSA-N 1 3 349.479 1.339 20 0 EDADHO COC[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000272715183 443418672 /nfs/dbraw/zinc/41/86/72/443418672.db2.gz WGFUBDKYWNCOCA-SFHVURJKSA-N 1 3 335.492 1.968 20 0 EDADHO CN(CCNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)C1CC1 ZINC000264912803 443474751 /nfs/dbraw/zinc/47/47/51/443474751.db2.gz XMNYNRAKQCYRBL-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039975 319748890 /nfs/dbraw/zinc/74/88/90/319748890.db2.gz GKOJGFCWOGGZFR-IAQYHMDHSA-N 1 3 343.830 1.928 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1[NH+](C)C ZINC000271829801 443514737 /nfs/dbraw/zinc/51/47/37/443514737.db2.gz RVKLDLLZAIPXJK-MAUKXSAKSA-N 1 3 345.491 1.890 20 0 EDADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(F)F ZINC000454459998 320289344 /nfs/dbraw/zinc/28/93/44/320289344.db2.gz QXDJBJBLISMBHY-CQSZACIVSA-N 1 3 332.439 1.888 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccncc1OCCC[NH+](C)C)N(C)C ZINC000454975215 320298026 /nfs/dbraw/zinc/29/80/26/320298026.db2.gz MEOAUSNKIHICPY-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO O=C(Nc1cccc(F)c1)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000516651748 320439863 /nfs/dbraw/zinc/43/98/63/320439863.db2.gz NETITIIEPIMCBK-UHFFFAOYSA-N 1 3 334.439 1.381 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000293590779 444063298 /nfs/dbraw/zinc/06/32/98/444063298.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 1 3 348.487 1.643 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC000293590779 444063301 /nfs/dbraw/zinc/06/33/01/444063301.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 1 3 348.487 1.643 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116709 321217435 /nfs/dbraw/zinc/21/74/35/321217435.db2.gz KKQKUOFHYNZFOI-AEFFLSMTSA-N 1 3 334.460 1.517 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000568231762 321283742 /nfs/dbraw/zinc/28/37/42/321283742.db2.gz JNQOWQKVBCDAQX-LMSBXDPUSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1C1CC1 ZINC000570815187 321359868 /nfs/dbraw/zinc/35/98/68/321359868.db2.gz FJQCNFFMUZCVFR-QXRTWZOPSA-N 1 3 328.460 1.666 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571773327 321399764 /nfs/dbraw/zinc/39/97/64/321399764.db2.gz PGCKJSLGPOWCOM-UYAOXDASSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000289554357 444171120 /nfs/dbraw/zinc/17/11/20/444171120.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 1 3 331.504 1.942 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCN(C=O)CC2)CC1 ZINC000278355310 444144917 /nfs/dbraw/zinc/14/49/17/444144917.db2.gz ZWVDEXSMWWWNLK-UHFFFAOYSA-N 1 3 344.503 1.535 20 0 EDADHO CN(CCN(C)[C@H]1CCc2ccccc2NC1=O)C1CC[NH+](C)CC1 ZINC000299734008 444127950 /nfs/dbraw/zinc/12/79/50/444127950.db2.gz ZFUZPVUAZDDRRF-IBGZPJMESA-N 1 3 344.503 1.898 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000289931212 444220767 /nfs/dbraw/zinc/22/07/67/444220767.db2.gz OJCMKSNKPQDCPW-INIZCTEOSA-N 1 3 347.459 1.220 20 0 EDADHO O=C(CC[NH2+]C1CC1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000576239882 321549922 /nfs/dbraw/zinc/54/99/22/321549922.db2.gz LOQUGSUHAXCQMC-UHFFFAOYSA-N 1 3 344.503 1.847 20 0 EDADHO CC(C)[C@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304414064 444249268 /nfs/dbraw/zinc/24/92/68/444249268.db2.gz VTFPJUMVRYSQSI-KRWDZBQOSA-N 1 3 340.512 1.251 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000303397152 444237237 /nfs/dbraw/zinc/23/72/37/444237237.db2.gz INANFKSARADLML-DLBZAZTESA-N 1 3 338.496 1.148 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc2cncn2c1 ZINC000297599483 444306931 /nfs/dbraw/zinc/30/69/31/444306931.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 1 3 346.479 1.359 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc2cncn2c1 ZINC000297599483 444306934 /nfs/dbraw/zinc/30/69/34/444306934.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 1 3 346.479 1.359 20 0 EDADHO CN(CCCN(C)C(=O)NCc1ccc2cncn2c1)CC[NH+](C)C ZINC000297599483 444306937 /nfs/dbraw/zinc/30/69/37/444306937.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 1 3 346.479 1.359 20 0 EDADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000580066167 322004606 /nfs/dbraw/zinc/00/46/06/322004606.db2.gz QNWUVAHHTOTXFQ-GOSISDBHSA-N 1 3 349.519 1.659 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000580633040 322076056 /nfs/dbraw/zinc/07/60/56/322076056.db2.gz XNIWMBYUWNZUEB-SFHVURJKSA-N 1 3 339.528 1.091 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000580881828 322107097 /nfs/dbraw/zinc/10/70/97/322107097.db2.gz CGNDIRJOUFJEJM-QZTJIDSGSA-N 1 3 346.475 1.410 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000581246266 322154204 /nfs/dbraw/zinc/15/42/04/322154204.db2.gz OCBWMYQWOBOMRE-BDPHEOEISA-N 1 3 341.540 1.413 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000340944152 444589034 /nfs/dbraw/zinc/58/90/34/444589034.db2.gz ZTRJIYGIEAIZGG-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000332998474 444626085 /nfs/dbraw/zinc/62/60/85/444626085.db2.gz HXBDUZCDIORWLB-RCCFBDPRSA-N 1 3 348.491 1.020 20 0 EDADHO [NH3+][C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333937268 444723545 /nfs/dbraw/zinc/72/35/45/444723545.db2.gz LKQSIUHTSWXHKG-CQSZACIVSA-N 1 3 326.510 1.481 20 0 EDADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794564 /nfs/dbraw/zinc/79/45/64/444794564.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 1 3 329.488 1.773 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794567 /nfs/dbraw/zinc/79/45/67/444794567.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 1 3 329.488 1.773 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000344293754 444884578 /nfs/dbraw/zinc/88/45/78/444884578.db2.gz PECNRWXFFOXDMZ-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)N1CCN(CCCN2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032635 /nfs/dbraw/zinc/03/26/35/445032635.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 1 3 340.556 1.180 20 0 EDADHO CC(C)N1CCN(CCCN2CCC([N@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032639 /nfs/dbraw/zinc/03/26/39/445032639.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 1 3 340.556 1.180 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN(CCOC)CC1 ZINC000344456945 444986039 /nfs/dbraw/zinc/98/60/39/444986039.db2.gz KSNRUXHVFHWEFY-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342981763 444987763 /nfs/dbraw/zinc/98/77/63/444987763.db2.gz ZTWKMEUNAFPYGL-HUUCEWRRSA-N 1 3 334.464 1.511 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342981762 444987877 /nfs/dbraw/zinc/98/78/77/444987877.db2.gz ZTWKMEUNAFPYGL-GJZGRUSLSA-N 1 3 334.464 1.511 20 0 EDADHO C[C@H]1CN(C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061302 445014228 /nfs/dbraw/zinc/01/42/28/445014228.db2.gz HMUKWPXXGNMFPT-JXFKEZNVSA-N 1 3 349.494 1.829 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)CCN2CCOC(C)(C)C2)CC1 ZINC000337481301 445099637 /nfs/dbraw/zinc/09/96/37/445099637.db2.gz VZUTUKYBRHWMMR-UHFFFAOYSA-N 1 3 340.556 1.445 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)CCN2CCOC(C)(C)C2)CC1 ZINC000337481301 445099639 /nfs/dbraw/zinc/09/96/39/445099639.db2.gz VZUTUKYBRHWMMR-UHFFFAOYSA-N 1 3 340.556 1.445 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343174480 445115059 /nfs/dbraw/zinc/11/50/59/445115059.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343174480 445115064 /nfs/dbraw/zinc/11/50/64/445115064.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343313876 445194745 /nfs/dbraw/zinc/19/47/45/445194745.db2.gz KVRQGVWPWOKZMS-OKZBNKHCSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348099171 445268015 /nfs/dbraw/zinc/26/80/15/445268015.db2.gz WFOPQRAZIZQBPG-SJLPKXTDSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H](NCCNc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099171 445268020 /nfs/dbraw/zinc/26/80/20/445268020.db2.gz WFOPQRAZIZQBPG-SJLPKXTDSA-N 1 3 325.460 2.389 20 0 EDADHO C[C@@H](NCCNc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099171 445268024 /nfs/dbraw/zinc/26/80/24/445268024.db2.gz WFOPQRAZIZQBPG-SJLPKXTDSA-N 1 3 325.460 2.389 20 0 EDADHO CCN1CCC(NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000351736806 445299142 /nfs/dbraw/zinc/29/91/42/445299142.db2.gz GQVFFWYOBQNYNF-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1)C1CC1 ZINC000354717956 445349522 /nfs/dbraw/zinc/34/95/22/445349522.db2.gz VPXYPZPULDPKAX-UHFFFAOYSA-N 1 3 345.487 1.857 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1)C1CC1 ZINC000354717956 445349524 /nfs/dbraw/zinc/34/95/24/445349524.db2.gz VPXYPZPULDPKAX-UHFFFAOYSA-N 1 3 345.487 1.857 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000362482542 445405277 /nfs/dbraw/zinc/40/52/77/445405277.db2.gz GXPRXIQIIUAQIY-QGZVFWFLSA-N 1 3 333.480 1.256 20 0 EDADHO c1nc(N2CCOCC2)sc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357053717 445397302 /nfs/dbraw/zinc/39/73/02/445397302.db2.gz PRPAULYPLPRSDF-OAHLLOKOSA-N 1 3 336.505 1.801 20 0 EDADHO CC[NH+](CC)CCCC1CCN(CCCS(=O)(=O)NC)CC1 ZINC000359878941 445471968 /nfs/dbraw/zinc/47/19/68/445471968.db2.gz STKDNCXNBXYGHW-UHFFFAOYSA-N 1 3 333.542 1.760 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723993 445519072 /nfs/dbraw/zinc/51/90/72/445519072.db2.gz OWBOXOIMTMZULA-QAPCUYQASA-N 1 3 333.476 1.483 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000362723993 445519078 /nfs/dbraw/zinc/51/90/78/445519078.db2.gz OWBOXOIMTMZULA-QAPCUYQASA-N 1 3 333.476 1.483 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000360124601 445580406 /nfs/dbraw/zinc/58/04/06/445580406.db2.gz LUMUXYHDPXSRCB-JKSUJKDBSA-N 1 3 328.501 1.107 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000360124601 445580410 /nfs/dbraw/zinc/58/04/10/445580410.db2.gz LUMUXYHDPXSRCB-JKSUJKDBSA-N 1 3 328.501 1.107 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353492973 445627529 /nfs/dbraw/zinc/62/75/29/445627529.db2.gz QREOWDNUBNZUDN-QRVBRYPASA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353492973 445627533 /nfs/dbraw/zinc/62/75/33/445627533.db2.gz QREOWDNUBNZUDN-QRVBRYPASA-N 1 3 343.519 1.796 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)CN(C)C)CC1 ZINC000358520903 445630227 /nfs/dbraw/zinc/63/02/27/445630227.db2.gz IEPTZUOJFNLKFN-OAHLLOKOSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360243151 445652264 /nfs/dbraw/zinc/65/22/64/445652264.db2.gz UDKZPHWNHOMHRT-GOEBONIOSA-N 1 3 328.526 1.597 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000358610686 445674531 /nfs/dbraw/zinc/67/45/31/445674531.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(CCN(C)C)CC1 ZINC000358610686 445674537 /nfs/dbraw/zinc/67/45/37/445674537.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104177 445748924 /nfs/dbraw/zinc/74/89/24/445748924.db2.gz PEQYMGWOUWIKIT-WCXIOVBPSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000361104177 445748927 /nfs/dbraw/zinc/74/89/27/445748927.db2.gz PEQYMGWOUWIKIT-WCXIOVBPSA-N 1 3 337.508 1.865 20 0 EDADHO CC(C)C[C@@H](NCc1c[nH]c2nccnc12)C(=O)NCC[NH+](C)C ZINC000356443075 445792617 /nfs/dbraw/zinc/79/26/17/445792617.db2.gz VNYPNERBVDAMDN-CQSZACIVSA-N 1 3 332.452 1.092 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccncc1OCCN(C)C ZINC000356470775 445809100 /nfs/dbraw/zinc/80/91/00/445809100.db2.gz GMVLQDYYWBESSA-CQSZACIVSA-N 1 3 336.480 1.805 20 0 EDADHO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000372999675 445967623 /nfs/dbraw/zinc/96/76/23/445967623.db2.gz NPEQMFHYPYJNNK-VJFUWPCTSA-N 1 3 335.492 1.763 20 0 EDADHO COc1cc(F)c([C@H](C)NCC2(O)CC[NH+](C)CC2)cc1OC ZINC000361888242 446041900 /nfs/dbraw/zinc/04/19/00/446041900.db2.gz ITGWSMCDKZYSGZ-LBPRGKRZSA-N 1 3 326.412 1.950 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866869 326155423 /nfs/dbraw/zinc/15/54/23/326155423.db2.gz KHDXZGNKSPJYJR-ZJPYXAASSA-N 1 3 341.540 1.557 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866869 326155424 /nfs/dbraw/zinc/15/54/24/326155424.db2.gz KHDXZGNKSPJYJR-ZJPYXAASSA-N 1 3 341.540 1.557 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000583928496 326166896 /nfs/dbraw/zinc/16/68/96/326166896.db2.gz RFKILOGGIOCCOQ-HNNXBMFYSA-N 1 3 342.553 1.655 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000584292258 326237224 /nfs/dbraw/zinc/23/72/24/326237224.db2.gz ZPCVBRXGFNWRTP-ZMSDIMECSA-N 1 3 348.491 1.428 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924443 446072403 /nfs/dbraw/zinc/07/24/03/446072403.db2.gz NIXKNYYBMLPYIQ-GOEBONIOSA-N 1 3 334.464 1.407 20 0 EDADHO CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365275232 446119594 /nfs/dbraw/zinc/11/95/94/446119594.db2.gz NWLRPSGFVPJMQK-IAGOWNOFSA-N 1 3 335.492 1.573 20 0 EDADHO CN(C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365275232 446119597 /nfs/dbraw/zinc/11/95/97/446119597.db2.gz NWLRPSGFVPJMQK-IAGOWNOFSA-N 1 3 335.492 1.573 20 0 EDADHO CN1CCN([C@@H]2CCCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000373322993 446164868 /nfs/dbraw/zinc/16/48/68/446164868.db2.gz KNGXNYIUWVQXDU-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359319186 446147443 /nfs/dbraw/zinc/14/74/43/446147443.db2.gz PWNMZEKNYLJJLS-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359319186 446147449 /nfs/dbraw/zinc/14/74/49/446147449.db2.gz PWNMZEKNYLJJLS-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000362159607 446242295 /nfs/dbraw/zinc/24/22/95/446242295.db2.gz VYZBEFFOFUYQJQ-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO COc1ccc([C@@H]2[C@H](CNC(=O)C[C@@H](C[NH3+])OC)CCCN2C)cc1 ZINC000365709618 446309659 /nfs/dbraw/zinc/30/96/59/446309659.db2.gz DZUBOXJAOVHALK-VDZJLULYSA-N 1 3 349.475 1.558 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+]C[C@H]1CCSC1 ZINC000366749005 446333272 /nfs/dbraw/zinc/33/32/72/446333272.db2.gz YMTKMJWWSMXOAC-OAHLLOKOSA-N 1 3 337.537 1.713 20 0 EDADHO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC000365855409 446372596 /nfs/dbraw/zinc/37/25/96/446372596.db2.gz KAOPCZAXNROEHB-INIZCTEOSA-N 1 3 333.480 1.294 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365872002 446381466 /nfs/dbraw/zinc/38/14/66/446381466.db2.gz SWXFAGVWPFBBPP-HUUCEWRRSA-N 1 3 326.485 1.221 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000366883805 446396828 /nfs/dbraw/zinc/39/68/28/446396828.db2.gz AIMDEWYVZNORBG-UHFFFAOYSA-N 1 3 347.507 1.927 20 0 EDADHO [NH3+][C@H]1CCC[C@H](C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000370781046 446438063 /nfs/dbraw/zinc/43/80/63/446438063.db2.gz OWKHKAHOSVSPHF-IRXDYDNUSA-N 1 3 330.476 1.722 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418004011 446411988 /nfs/dbraw/zinc/41/19/88/446411988.db2.gz ZIATVGRIEKRCRX-YJBOKZPZSA-N 1 3 346.475 1.052 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])N(C)C)cc1 ZINC000418210154 446459202 /nfs/dbraw/zinc/45/92/02/446459202.db2.gz SIFHTIBVRMHKKU-YOEHRIQHSA-N 1 3 336.480 1.971 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000420297471 446459676 /nfs/dbraw/zinc/45/96/76/446459676.db2.gz FYJKWSWUJKPUIL-FGTMMUONSA-N 1 3 336.524 1.108 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268410 446470484 /nfs/dbraw/zinc/47/04/84/446470484.db2.gz DOBDKWIUPOVBGP-XKQJLSEDSA-N 1 3 337.489 1.819 20 0 EDADHO C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423319191 446486976 /nfs/dbraw/zinc/48/69/76/446486976.db2.gz DCKRREWGDUQRSV-BZUAXINKSA-N 1 3 347.507 1.880 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H](C)[NH3+] ZINC000423364565 446501384 /nfs/dbraw/zinc/50/13/84/446501384.db2.gz AVXLZKWFOORKKQ-BLLLJJGKSA-N 1 3 348.447 1.714 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H](C)[NH3+] ZINC000423381185 446510675 /nfs/dbraw/zinc/51/06/75/446510675.db2.gz OEOSJVXXZOZFQT-DNVCBOLYSA-N 1 3 347.503 1.879 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423404723 446520060 /nfs/dbraw/zinc/52/00/60/446520060.db2.gz ZEKAERUFBOFSFX-OWCLPIDISA-N 1 3 347.507 1.880 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000411406521 446522546 /nfs/dbraw/zinc/52/25/46/446522546.db2.gz JHEPNMHELLQLEB-CRAIPNDOSA-N 1 3 339.480 1.298 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418431521 446540700 /nfs/dbraw/zinc/54/07/00/446540700.db2.gz QZQAPRPYIHHJAK-CRAIPNDOSA-N 1 3 348.491 1.421 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418612571 446616432 /nfs/dbraw/zinc/61/64/32/446616432.db2.gz ICJGBYBNABMKBB-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405363 446570897 /nfs/dbraw/zinc/57/08/97/446570897.db2.gz FIUSBRZOHDXKOC-HOTGVXAUSA-N 1 3 342.447 1.235 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000418513537 446575412 /nfs/dbraw/zinc/57/54/12/446575412.db2.gz GFGAHMRUMQBBHJ-KRWDZBQOSA-N 1 3 348.491 1.987 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000433463740 446577170 /nfs/dbraw/zinc/57/71/70/446577170.db2.gz AHQWKBFNCCTFGF-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC(C[NH+](C)C)CC2)CCCO1 ZINC000433467596 446579463 /nfs/dbraw/zinc/57/94/63/446579463.db2.gz QZMLBOKNGIZWFS-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1CCN(CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000420412041 446584690 /nfs/dbraw/zinc/58/46/90/446584690.db2.gz RZFHIORUYLXNBF-ZBFHGGJFSA-N 1 3 332.448 1.319 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418592795 446607311 /nfs/dbraw/zinc/60/73/11/446607311.db2.gz QGKXTWKONPQURF-MRXNPFEDSA-N 1 3 347.507 1.728 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)COC1CC[NH2+]CC1 ZINC000423747584 446676972 /nfs/dbraw/zinc/67/69/72/446676972.db2.gz SQAVURCXWVCXHT-UHFFFAOYSA-N 1 3 333.476 1.865 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423747081 446677003 /nfs/dbraw/zinc/67/70/03/446677003.db2.gz OWQRPGJEQQWFPU-HNNXBMFYSA-N 1 3 327.856 1.594 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000418750657 446669899 /nfs/dbraw/zinc/66/98/99/446669899.db2.gz OWNDEOHNVKCPCC-TZMCWYRMSA-N 1 3 330.423 1.499 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)CC[N@H+](C2CCC2)C1 ZINC000418750657 446669905 /nfs/dbraw/zinc/66/99/05/446669905.db2.gz OWNDEOHNVKCPCC-TZMCWYRMSA-N 1 3 330.423 1.499 20 0 EDADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCN(CC2CCOCC2)CC1 ZINC000418756636 446675637 /nfs/dbraw/zinc/67/56/37/446675637.db2.gz YLNIXCCXEIVMND-KRWDZBQOSA-N 1 3 338.496 1.272 20 0 EDADHO CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776434 446712491 /nfs/dbraw/zinc/71/24/91/446712491.db2.gz HWPMMDQQVMFTLU-QQXWRGTKSA-N 1 3 336.480 1.116 20 0 EDADHO CN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776434 446712496 /nfs/dbraw/zinc/71/24/96/446712496.db2.gz HWPMMDQQVMFTLU-QQXWRGTKSA-N 1 3 336.480 1.116 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000418840956 446744861 /nfs/dbraw/zinc/74/48/61/446744861.db2.gz FTFWTYXEZGKCII-IRXDYDNUSA-N 1 3 346.475 1.006 20 0 EDADHO COCCCN(C)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412143531 446877984 /nfs/dbraw/zinc/87/79/84/446877984.db2.gz ZTKAKPYLOTTZTJ-INIZCTEOSA-N 1 3 343.537 1.288 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482397 446879939 /nfs/dbraw/zinc/87/99/39/446879939.db2.gz UBLMLWOKINJBSV-RCCFBDPRSA-N 1 3 328.460 1.654 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000368519297 446916593 /nfs/dbraw/zinc/91/65/93/446916593.db2.gz PUWKQHMMWLJGID-SFHVURJKSA-N 1 3 333.524 1.701 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000368519297 446916598 /nfs/dbraw/zinc/91/65/98/446916598.db2.gz PUWKQHMMWLJGID-SFHVURJKSA-N 1 3 333.524 1.701 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171780 446987780 /nfs/dbraw/zinc/98/77/80/446987780.db2.gz PPOUCBIWUSOKOQ-HNNXBMFYSA-N 1 3 340.512 1.391 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368696893 447047187 /nfs/dbraw/zinc/04/71/87/447047187.db2.gz OMPPVZUEBPBXBU-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368696893 447047190 /nfs/dbraw/zinc/04/71/90/447047190.db2.gz OMPPVZUEBPBXBU-DLBZAZTESA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H](NC(=O)N1CCCN(CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493768 447087371 /nfs/dbraw/zinc/08/73/71/447087371.db2.gz ABOWQLITUZCMCF-HNNXBMFYSA-N 1 3 342.528 1.451 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444180959 447089978 /nfs/dbraw/zinc/08/99/78/447089978.db2.gz HQFCBBGJTBYGGZ-ICSRJNTNSA-N 1 3 343.471 1.777 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419433969 447173033 /nfs/dbraw/zinc/17/30/33/447173033.db2.gz ZVBDVFKAUMKIMN-ZBFHGGJFSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000455661551 447200487 /nfs/dbraw/zinc/20/04/87/447200487.db2.gz DYMUWLNAZLGOQK-UHFFFAOYSA-N 1 3 348.495 1.927 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000377560158 447205667 /nfs/dbraw/zinc/20/56/67/447205667.db2.gz DPTQCCDLSMLKPH-CRAIPNDOSA-N 1 3 330.476 1.593 20 0 EDADHO CN(CC[NH+]1CCCCC1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000372663524 447211711 /nfs/dbraw/zinc/21/17/11/447211711.db2.gz OYBZLYZQFSNNID-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419597232 447287837 /nfs/dbraw/zinc/28/78/37/447287837.db2.gz ZUARKGCQBDYQKG-OAHLLOKOSA-N 1 3 338.496 1.145 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415472983 447464215 /nfs/dbraw/zinc/46/42/15/447464215.db2.gz ALYJWYNYMZYYGN-ZBFHGGJFSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000495081628 447475297 /nfs/dbraw/zinc/47/52/97/447475297.db2.gz HNROWLRRKIATMH-KRWDZBQOSA-N 1 3 333.476 1.816 20 0 EDADHO C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000419999243 447536580 /nfs/dbraw/zinc/53/65/80/447536580.db2.gz OEJMFEXXSITWMN-SJLPKXTDSA-N 1 3 325.497 1.602 20 0 EDADHO COCCOC[C@H](O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640589 447547173 /nfs/dbraw/zinc/54/71/73/447547173.db2.gz MVNCCQRNQFHQSO-GOSISDBHSA-N 1 3 337.464 1.254 20 0 EDADHO COCCOC[C@H](O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000450640589 447547174 /nfs/dbraw/zinc/54/71/74/447547174.db2.gz MVNCCQRNQFHQSO-GOSISDBHSA-N 1 3 337.464 1.254 20 0 EDADHO COC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105983 447556069 /nfs/dbraw/zinc/55/60/69/447556069.db2.gz BNODITHIRSXEAS-SJLPKXTDSA-N 1 3 345.487 1.782 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000420120172 447615295 /nfs/dbraw/zinc/61/52/95/447615295.db2.gz KDUPTCLUJRUSDW-OAHLLOKOSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000416826977 447692364 /nfs/dbraw/zinc/69/23/64/447692364.db2.gz CIIABPCQKLLZLQ-NXHRZFHOSA-N 1 3 332.492 1.786 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849214 447695733 /nfs/dbraw/zinc/69/57/33/447695733.db2.gz XKLJBTSJBSFQJQ-CQSZACIVSA-N 1 3 340.493 1.420 20 0 EDADHO C[C@H]([NH2+]C[C@H](N)C1CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396037 447763406 /nfs/dbraw/zinc/76/34/06/447763406.db2.gz HFPCKVKSASJIEO-JCGIZDLHSA-N 1 3 347.459 1.739 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)[NH+]1CCCC1 ZINC000416950215 447723254 /nfs/dbraw/zinc/72/32/54/447723254.db2.gz HVZRIMZJFSFIFH-JKSUJKDBSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@H](C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000422716468 447727122 /nfs/dbraw/zinc/72/71/22/447727122.db2.gz NEXOSPLDLAKXNC-RLLQIKCJSA-N 1 3 330.520 1.953 20 0 EDADHO CC[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000417022652 447730824 /nfs/dbraw/zinc/73/08/24/447730824.db2.gz VLJCPAPXXSALQF-CRAIPNDOSA-N 1 3 330.476 1.732 20 0 EDADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422825345 447762089 /nfs/dbraw/zinc/76/20/89/447762089.db2.gz JOPIBZFALLOTFS-IAGOWNOFSA-N 1 3 332.496 1.238 20 0 EDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422825345 447762091 /nfs/dbraw/zinc/76/20/91/447762091.db2.gz JOPIBZFALLOTFS-IAGOWNOFSA-N 1 3 332.496 1.238 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845383 447767796 /nfs/dbraw/zinc/76/77/96/447767796.db2.gz NWPAHJBDFLKYHE-HKUYNNGSSA-N 1 3 344.503 1.832 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845383 447767798 /nfs/dbraw/zinc/76/77/98/447767798.db2.gz NWPAHJBDFLKYHE-HKUYNNGSSA-N 1 3 344.503 1.832 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000431017313 447788845 /nfs/dbraw/zinc/78/88/45/447788845.db2.gz PMOCUDONWABJSF-UHFFFAOYSA-N 1 3 332.492 1.425 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637483 447806249 /nfs/dbraw/zinc/80/62/49/447806249.db2.gz WQUUJEDEJSWFQT-FUHWJXTLSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000569720199 447876974 /nfs/dbraw/zinc/87/69/74/447876974.db2.gz CEUUGOYISGZRHP-AWEZNQCLSA-N 1 3 332.448 1.102 20 0 EDADHO COC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C)o1 ZINC000530601629 447924800 /nfs/dbraw/zinc/92/48/00/447924800.db2.gz YSJRBKYPHTUPET-OAHLLOKOSA-N 1 3 340.468 1.410 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201807 447964049 /nfs/dbraw/zinc/96/40/49/447964049.db2.gz ITKXQNVNPBYQPJ-RBSFLKMASA-N 1 3 336.432 1.617 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000496889794 448006681 /nfs/dbraw/zinc/00/66/81/448006681.db2.gz KBCPEYBFOLYQRK-DYVFJYSZSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000496889794 448006687 /nfs/dbraw/zinc/00/66/87/448006687.db2.gz KBCPEYBFOLYQRK-DYVFJYSZSA-N 1 3 327.469 1.336 20 0 EDADHO Cc1nc2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2nc1C ZINC000531118670 448021524 /nfs/dbraw/zinc/02/15/24/448021524.db2.gz BFZCZGIKKWLYTI-UHFFFAOYSA-N 1 3 343.475 1.812 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000576271987 448015079 /nfs/dbraw/zinc/01/50/79/448015079.db2.gz NOLGMZUCEKLJPN-HXUWFJFHSA-N 1 3 349.494 1.877 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000576271987 448015087 /nfs/dbraw/zinc/01/50/87/448015087.db2.gz NOLGMZUCEKLJPN-HXUWFJFHSA-N 1 3 349.494 1.877 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc3c2CCNC3)CCCO1 ZINC000557033057 448177384 /nfs/dbraw/zinc/17/73/84/448177384.db2.gz VJPZXCJXKQOWNS-HNNXBMFYSA-N 1 3 346.475 1.955 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)Nc2cccc3c2CCNC3)CCCO1 ZINC000557033057 448177390 /nfs/dbraw/zinc/17/73/90/448177390.db2.gz VJPZXCJXKQOWNS-HNNXBMFYSA-N 1 3 346.475 1.955 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673169 448184255 /nfs/dbraw/zinc/18/42/55/448184255.db2.gz XOLCUNHISBPTGL-KGLIPLIRSA-N 1 3 339.480 1.297 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000571897543 448232249 /nfs/dbraw/zinc/23/22/49/448232249.db2.gz PMUNCNXIECCYDM-ROUUACIJSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)CC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000514871799 448219567 /nfs/dbraw/zinc/21/95/67/448219567.db2.gz DIDBIRJUPYEEDJ-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnn(C)c3C)CC2)CC1 ZINC000516035137 448370815 /nfs/dbraw/zinc/37/08/15/448370815.db2.gz PNVFZUGHRSXRKE-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)C1=CC[N@@H+](C)CC1 ZINC000582952791 448387550 /nfs/dbraw/zinc/38/75/50/448387550.db2.gz FNKGEIQUZMWGIW-ZDUSSCGKSA-N 1 3 330.432 1.941 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@@H](CC(C)C)CN(C)C)CC1 ZINC000516188000 448393768 /nfs/dbraw/zinc/39/37/68/448393768.db2.gz QFAAVVRWDDKGBG-INIZCTEOSA-N 1 3 328.501 1.373 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000583012873 448402744 /nfs/dbraw/zinc/40/27/44/448402744.db2.gz KNUHEHJEGJNHDE-UHFFFAOYSA-N 1 3 345.491 1.480 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599713 448417774 /nfs/dbraw/zinc/41/77/74/448417774.db2.gz KUGCSVFOMCQHED-ROUUACIJSA-N 1 3 336.524 1.393 20 0 EDADHO CCC[C@@H](OCC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000528315865 448484872 /nfs/dbraw/zinc/48/48/72/448484872.db2.gz NMYWWTSVZHXAMQ-QGZVFWFLSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566668354 448531921 /nfs/dbraw/zinc/53/19/21/448531921.db2.gz JOTZFGPIKLNACV-SCTDSRPQSA-N 1 3 342.487 1.905 20 0 EDADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(=O)N(C)C ZINC000518217485 448657633 /nfs/dbraw/zinc/65/76/33/448657633.db2.gz SLWDTPRUAMNSDR-CABCVRRESA-N 1 3 335.448 1.522 20 0 EDADHO CO[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000518715055 448701822 /nfs/dbraw/zinc/70/18/22/448701822.db2.gz OFBRDGOMSJXHEH-CABCVRRESA-N 1 3 326.485 1.079 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000573936077 448753194 /nfs/dbraw/zinc/75/31/94/448753194.db2.gz BIEHVBISTNDNDG-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCCOC3)CC2)CC1 ZINC000579257045 448756322 /nfs/dbraw/zinc/75/63/22/448756322.db2.gz MZDKVYNKVLOIQS-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529301787 448813617 /nfs/dbraw/zinc/81/36/17/448813617.db2.gz VWOLHEHYYWUFOU-QGZVFWFLSA-N 1 3 346.475 1.711 20 0 EDADHO O=C1NC(=O)[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000574049190 448779893 /nfs/dbraw/zinc/77/98/93/448779893.db2.gz HHNRCNCUJRYXLE-CALCHBBNSA-N 1 3 327.428 1.377 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000529309867 448817558 /nfs/dbraw/zinc/81/75/58/448817558.db2.gz YQZWDGPIFDWZAD-YOEHRIQHSA-N 1 3 338.496 1.269 20 0 EDADHO Cc1occc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000586854196 448824867 /nfs/dbraw/zinc/82/48/67/448824867.db2.gz HIZZVIFXICYHQX-UHFFFAOYSA-N 1 3 334.464 1.946 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191473 448832008 /nfs/dbraw/zinc/83/20/08/448832008.db2.gz JALRMPYWCIURQH-CVEARBPZSA-N 1 3 341.521 1.041 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](N)C3CCC3)nc2)CC1 ZINC000519776352 448842171 /nfs/dbraw/zinc/84/21/71/448842171.db2.gz RTVRZOKKLFRWKF-KRWDZBQOSA-N 1 3 331.464 1.678 20 0 EDADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)(C)O ZINC000574415212 448870950 /nfs/dbraw/zinc/87/09/50/448870950.db2.gz VSITYEBZBFRVNQ-KRWDZBQOSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CNCCCO1 ZINC000568486958 448877582 /nfs/dbraw/zinc/87/75/82/448877582.db2.gz OAKFFWLDLPOAEZ-KGLIPLIRSA-N 1 3 331.416 1.029 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000568486958 448877586 /nfs/dbraw/zinc/87/75/86/448877586.db2.gz OAKFFWLDLPOAEZ-KGLIPLIRSA-N 1 3 331.416 1.029 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558629 448900143 /nfs/dbraw/zinc/90/01/43/448900143.db2.gz JRWYSCNBVBHRBQ-ZFWWWQNUSA-N 1 3 333.480 1.522 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558641 448900552 /nfs/dbraw/zinc/90/05/52/448900552.db2.gz LHOLIVVTSFXLQJ-OAHLLOKOSA-N 1 3 339.480 1.524 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058226 449000364 /nfs/dbraw/zinc/00/03/64/449000364.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058226 449000368 /nfs/dbraw/zinc/00/03/68/449000368.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000582058226 449000371 /nfs/dbraw/zinc/00/03/71/449000371.db2.gz TYHPEDMWSYKGAZ-DBVUQKKJSA-N 1 3 347.503 1.321 20 0 EDADHO COc1ccc(F)cc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000521742695 449011474 /nfs/dbraw/zinc/01/14/74/449011474.db2.gz QJKHZAUMMPGLJE-UHFFFAOYSA-N 1 3 340.443 1.469 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259242 448990901 /nfs/dbraw/zinc/99/09/01/448990901.db2.gz WWICZUYHRRZDFN-VXGBXAGGSA-N 1 3 349.859 1.617 20 0 EDADHO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000595893085 449237484 /nfs/dbraw/zinc/23/74/84/449237484.db2.gz OVUMDEMKDUVJRY-WBVHZDCISA-N 1 3 332.444 1.819 20 0 EDADHO COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CNC2)O1 ZINC000595893085 449237489 /nfs/dbraw/zinc/23/74/89/449237489.db2.gz OVUMDEMKDUVJRY-WBVHZDCISA-N 1 3 332.444 1.819 20 0 EDADHO CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617505810 449653115 /nfs/dbraw/zinc/65/31/15/449653115.db2.gz QVZXDZZHYIEFTC-AWEZNQCLSA-N 1 3 334.464 1.048 20 0 EDADHO CNC(=O)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617505810 449653118 /nfs/dbraw/zinc/65/31/18/449653118.db2.gz QVZXDZZHYIEFTC-AWEZNQCLSA-N 1 3 334.464 1.048 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508017 449639338 /nfs/dbraw/zinc/63/93/38/449639338.db2.gz YSWJBGVPFCQNNG-JKSUJKDBSA-N 1 3 337.464 1.300 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ncnc2sccc21 ZINC000617502488 449644940 /nfs/dbraw/zinc/64/49/40/449644940.db2.gz REFACOQWBAHPNY-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ncnc2sccc21 ZINC000617502488 449644944 /nfs/dbraw/zinc/64/49/44/449644944.db2.gz REFACOQWBAHPNY-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000594947192 449816178 /nfs/dbraw/zinc/81/61/78/449816178.db2.gz XEPYDURVGRJDNP-CGTJXYLNSA-N 1 3 346.471 1.801 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601275030 449791979 /nfs/dbraw/zinc/79/19/79/449791979.db2.gz DPTJNWXMXNJRJI-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601275030 449791982 /nfs/dbraw/zinc/79/19/82/449791982.db2.gz DPTJNWXMXNJRJI-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970990 449964383 /nfs/dbraw/zinc/96/43/83/449964383.db2.gz NKJAPBSZJNLCQS-KRWDZBQOSA-N 1 3 346.475 1.568 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000623071353 450390853 /nfs/dbraw/zinc/39/08/53/450390853.db2.gz GIVLKUVWOLNCPC-INIZCTEOSA-N 1 3 346.475 1.967 20 0 EDADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623372528 450507690 /nfs/dbraw/zinc/50/76/90/450507690.db2.gz YNWARXLWUWAPEC-INIZCTEOSA-N 1 3 339.505 1.698 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395277 450513386 /nfs/dbraw/zinc/51/33/86/450513386.db2.gz FJAQFCOXVAZESE-HNAYVOBHSA-N 1 3 344.459 1.704 20 0 EDADHO CN1CC[C@@H]([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1(C)C ZINC000623617068 450552348 /nfs/dbraw/zinc/55/23/48/450552348.db2.gz WGXADQFPHBYBSP-CRAIPNDOSA-N 1 3 325.497 1.065 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000627292639 450628699 /nfs/dbraw/zinc/62/86/99/450628699.db2.gz ZRKFNKBZFKYDFU-USXIJHARSA-N 1 3 346.475 1.052 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633011869 450609370 /nfs/dbraw/zinc/60/93/70/450609370.db2.gz DOBWDIXWYFWBJE-INIZCTEOSA-N 1 3 346.475 1.459 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266689 450771257 /nfs/dbraw/zinc/77/12/57/450771257.db2.gz SWJFNVXKEFDOGE-QRQLOZEOSA-N 1 3 332.492 1.602 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266689 450771263 /nfs/dbraw/zinc/77/12/63/450771263.db2.gz SWJFNVXKEFDOGE-QRQLOZEOSA-N 1 3 332.492 1.602 20 0 EDADHO c1ncn(-c2ccccc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000629672820 450777249 /nfs/dbraw/zinc/77/72/49/450777249.db2.gz SYXNNWHGUPMMNN-SFHVURJKSA-N 1 3 341.459 1.858 20 0 EDADHO NC(=O)c1cc(F)ccc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621778413 450864058 /nfs/dbraw/zinc/86/40/58/450864058.db2.gz OZHUXYGBIQKDTF-CQSZACIVSA-N 1 3 334.439 1.436 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000631943080 450900291 /nfs/dbraw/zinc/90/02/91/450900291.db2.gz MMLYSKJBHIVXBF-JKSUJKDBSA-N 1 3 329.510 1.266 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626920103 451003829 /nfs/dbraw/zinc/00/38/29/451003829.db2.gz SPWHWVHACMQKDY-QRQLOZEOSA-N 1 3 330.476 1.930 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])N(C)C)cc1 ZINC000626921495 451004855 /nfs/dbraw/zinc/00/48/55/451004855.db2.gz BOMJHUDRWWXVAM-QGZVFWFLSA-N 1 3 336.480 1.468 20 0 EDADHO C[C@H]1CC[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939765 451021541 /nfs/dbraw/zinc/02/15/41/451021541.db2.gz NFZKFNXBQQJBNZ-LSDHHAIUSA-N 1 3 340.537 1.788 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000626946151 451025821 /nfs/dbraw/zinc/02/58/21/451025821.db2.gz MDBYLFQBHPIFEK-DOTOQJQBSA-N 1 3 334.464 1.357 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012725 451076792 /nfs/dbraw/zinc/07/67/92/451076792.db2.gz HHMJGWJKRLZYDG-WBVHZDCISA-N 1 3 334.464 1.124 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000627029754 451090926 /nfs/dbraw/zinc/09/09/26/451090926.db2.gz ZKOZDBKJAADPCF-UHFFFAOYSA-N 1 3 340.512 1.649 20 0 EDADHO CN(CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704383 451184412 /nfs/dbraw/zinc/18/44/12/451184412.db2.gz HTUKEMWVYWJNMW-IRXDYDNUSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086241 451252484 /nfs/dbraw/zinc/25/24/84/451252484.db2.gz QOKSMKKKFYFSDM-HKUYNNGSSA-N 1 3 346.519 1.682 20 0 EDADHO O=C(CN1CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000638088911 451253414 /nfs/dbraw/zinc/25/34/14/451253414.db2.gz LQLMKRWLOLRKGV-UHFFFAOYSA-N 1 3 348.516 1.122 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC000625277883 451254679 /nfs/dbraw/zinc/25/46/79/451254679.db2.gz SBCZGKHTCZERQG-GOSISDBHSA-N 1 3 339.524 1.143 20 0 EDADHO CC[NH2+][C@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000638107832 451275686 /nfs/dbraw/zinc/27/56/86/451275686.db2.gz IAAQCCWICZSTDX-OAHLLOKOSA-N 1 3 346.475 1.126 20 0 EDADHO CC(C)CC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000638116876 451284174 /nfs/dbraw/zinc/28/41/74/451284174.db2.gz MFJFEPBXVVMVHJ-INIZCTEOSA-N 1 3 325.497 1.901 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000638120513 451288815 /nfs/dbraw/zinc/28/88/15/451288815.db2.gz FCCRNFUBHIREAX-QFBILLFUSA-N 1 3 344.459 1.908 20 0 EDADHO C[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638129581 451300238 /nfs/dbraw/zinc/30/02/38/451300238.db2.gz BWWFCGYTGJKIEC-PXNSSMCTSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638144229 451318659 /nfs/dbraw/zinc/31/86/59/451318659.db2.gz BQOLEIFMQSJEKO-STQMWFEESA-N 1 3 345.447 1.113 20 0 EDADHO COC[C@@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCCCN1 ZINC000638348374 451450063 /nfs/dbraw/zinc/45/00/63/451450063.db2.gz IYTGVUAKISRJKE-YXJHDRRASA-N 1 3 335.423 1.238 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350256 451451389 /nfs/dbraw/zinc/45/13/89/451451389.db2.gz FEDWESUFMHXIOM-ROUUACIJSA-N 1 3 338.455 1.362 20 0 EDADHO CC(C)[C@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCN(C)CC1 ZINC000638353695 451454034 /nfs/dbraw/zinc/45/40/34/451454034.db2.gz STYQJEHVPFQXJA-SFHVURJKSA-N 1 3 340.556 1.083 20 0 EDADHO CC(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1CCN(C)CC1 ZINC000638353695 451454045 /nfs/dbraw/zinc/45/40/45/451454045.db2.gz STYQJEHVPFQXJA-SFHVURJKSA-N 1 3 340.556 1.083 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1(O)CCC1 ZINC000630879416 451457420 /nfs/dbraw/zinc/45/74/20/451457420.db2.gz JTDHKPQJSOLJNO-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCC1(O)CCC1 ZINC000630879416 451457427 /nfs/dbraw/zinc/45/74/27/451457427.db2.gz JTDHKPQJSOLJNO-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000638358544 451458619 /nfs/dbraw/zinc/45/86/19/451458619.db2.gz FEGWEGQTTBAEHJ-ZDUSSCGKSA-N 1 3 329.510 1.311 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367944 451467326 /nfs/dbraw/zinc/46/73/26/451467326.db2.gz RKNWMTOZRJKRIW-PNYFIKQUSA-N 1 3 343.471 1.486 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391720 451481702 /nfs/dbraw/zinc/48/17/02/451481702.db2.gz YVOHJICOEKXWHJ-KBAYOESNSA-N 1 3 332.492 1.422 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638405003 451492225 /nfs/dbraw/zinc/49/22/25/451492225.db2.gz SLERXLUDZVFXFU-DLBZAZTESA-N 1 3 332.492 1.435 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638405003 451492232 /nfs/dbraw/zinc/49/22/32/451492232.db2.gz SLERXLUDZVFXFU-DLBZAZTESA-N 1 3 332.492 1.435 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000638525683 451558412 /nfs/dbraw/zinc/55/84/12/451558412.db2.gz BCGXKDVEOCIIMR-MRXNPFEDSA-N 1 3 344.459 1.306 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000638526719 451559030 /nfs/dbraw/zinc/55/90/30/451559030.db2.gz NUYWPQBKWIIWCM-GOEBONIOSA-N 1 3 332.448 1.434 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000638527773 451559583 /nfs/dbraw/zinc/55/95/83/451559583.db2.gz YBUCKTUZRSQIER-VQIMIIECSA-N 1 3 346.475 1.824 20 0 EDADHO O=C1CC[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCN1 ZINC000634953466 451621383 /nfs/dbraw/zinc/62/13/83/451621383.db2.gz AWLVGYFJLUYGJN-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000638640382 451626668 /nfs/dbraw/zinc/62/66/68/451626668.db2.gz ARIUWKQVWVGDMV-ZWKOTPCHSA-N 1 3 344.503 1.764 20 0 EDADHO CO[C@@H](CNC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000638669289 451641658 /nfs/dbraw/zinc/64/16/58/451641658.db2.gz QMWYXCSLQOJWSE-YJBOKZPZSA-N 1 3 326.481 1.519 20 0 EDADHO CN(C)C(=O)N1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635008360 451648479 /nfs/dbraw/zinc/64/84/79/451648479.db2.gz JFTWBLMUZGRSTC-UHFFFAOYSA-N 1 3 332.452 1.049 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000632935159 451659056 /nfs/dbraw/zinc/65/90/56/451659056.db2.gz ZDHJLJWKDTZAFC-CABCVRRESA-N 1 3 331.464 1.782 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1(C)CNC1 ZINC000638834918 451705084 /nfs/dbraw/zinc/70/50/84/451705084.db2.gz IFFKSRAOOKTCIX-DOTOQJQBSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1(C)CNC1 ZINC000638834918 451705087 /nfs/dbraw/zinc/70/50/87/451705087.db2.gz IFFKSRAOOKTCIX-DOTOQJQBSA-N 1 3 331.460 1.249 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638727644 451667536 /nfs/dbraw/zinc/66/75/36/451667536.db2.gz HMDQWEMHFCQHJT-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151132 451741459 /nfs/dbraw/zinc/74/14/59/451741459.db2.gz XPJDZCIHTUPMPA-NXHRZFHOSA-N 1 3 346.475 1.015 20 0 EDADHO CN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000637167216 451746310 /nfs/dbraw/zinc/74/63/10/451746310.db2.gz ZIRQWOMBJBQWQK-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO CO[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000639312230 451821829 /nfs/dbraw/zinc/82/18/29/451821829.db2.gz UEEMFYPDSAROEH-MOPGFXCFSA-N 1 3 333.476 1.935 20 0 EDADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1C1CCOCC1 ZINC000639363426 451846193 /nfs/dbraw/zinc/84/61/93/451846193.db2.gz ADDKMYUCIWZHGY-GOSISDBHSA-N 1 3 344.459 1.420 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000644561940 451863346 /nfs/dbraw/zinc/86/33/46/451863346.db2.gz JQLIIVFZILXCBW-MJGOQNOKSA-N 1 3 347.503 1.493 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3ccccc3)C2)CC1 ZINC000644561981 451863607 /nfs/dbraw/zinc/86/36/07/451863607.db2.gz MQSQMDHQFNUWHV-KRWDZBQOSA-N 1 3 330.476 1.773 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000646845245 451883597 /nfs/dbraw/zinc/88/35/97/451883597.db2.gz HLXLSAVBMFOTMB-QAPCUYQASA-N 1 3 346.475 1.017 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645156 451905470 /nfs/dbraw/zinc/90/54/70/451905470.db2.gz SPPAXQVCZZDETF-JKSUJKDBSA-N 1 3 338.496 1.016 20 0 EDADHO C[NH+]1CCC(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000644699939 451942437 /nfs/dbraw/zinc/94/24/37/451942437.db2.gz DUVJHLCWKLKMDY-GOSISDBHSA-N 1 3 331.460 1.924 20 0 EDADHO CN1CC[NH+](CC2(C)CCN([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639582759 451955867 /nfs/dbraw/zinc/95/58/67/451955867.db2.gz FOGPLSPPUXMCEK-GOSISDBHSA-N 1 3 348.535 1.489 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)COC2(C)CNC2)CC1 ZINC000649287964 451961932 /nfs/dbraw/zinc/96/19/32/451961932.db2.gz UOMNFXQNOWVMDZ-UHFFFAOYSA-N 1 3 331.460 1.454 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649287926 451963007 /nfs/dbraw/zinc/96/30/07/451963007.db2.gz OQSVJZDRXMGMQS-KRWDZBQOSA-N 1 3 331.460 1.312 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292367 451967852 /nfs/dbraw/zinc/96/78/52/451967852.db2.gz BPBQJEHPOOJWKQ-HUUCEWRRSA-N 1 3 325.478 1.483 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cnn1C ZINC000649292850 451969584 /nfs/dbraw/zinc/96/95/84/451969584.db2.gz GOJSHPJHDZLEOI-ZZCKCESHSA-N 1 3 347.507 1.411 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCCC[C@@H]2C)cnn1C ZINC000649293327 451969916 /nfs/dbraw/zinc/96/99/16/451969916.db2.gz MDDACABQBICUSS-XKQJLSEDSA-N 1 3 333.480 1.022 20 0 EDADHO COc1cc(CNC(=O)CCC(C)(C)[NH3+])ccc1OCCN(C)C ZINC000649301967 451978926 /nfs/dbraw/zinc/97/89/26/451978926.db2.gz BTZFHQGCAYOVKE-UHFFFAOYSA-N 1 3 337.464 1.769 20 0 EDADHO CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000642907504 451984613 /nfs/dbraw/zinc/98/46/13/451984613.db2.gz ABJXBKMICDXSQP-ZMSDIMECSA-N 1 3 346.475 1.134 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000649309016 451986998 /nfs/dbraw/zinc/98/69/98/451986998.db2.gz OCCXVDCFRMGTMH-QRQLOZEOSA-N 1 3 343.471 1.774 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000649312348 451989466 /nfs/dbraw/zinc/98/94/66/451989466.db2.gz IZZAFVIIZGTELF-OCCSQVGLSA-N 1 3 346.431 1.470 20 0 EDADHO Cc1ccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c(CN(C)C)c1 ZINC000649334913 452016015 /nfs/dbraw/zinc/01/60/15/452016015.db2.gz WJUACPWSWPZEBG-AWEZNQCLSA-N 1 3 328.420 1.435 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000649345393 452027315 /nfs/dbraw/zinc/02/73/15/452027315.db2.gz YXNHHZDPJFOCCP-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000649345393 452027320 /nfs/dbraw/zinc/02/73/20/452027320.db2.gz YXNHHZDPJFOCCP-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000649371070 452047722 /nfs/dbraw/zinc/04/77/22/452047722.db2.gz IOBIAPLMOQUXKC-IAGOWNOFSA-N 1 3 332.492 1.749 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649378630 452052210 /nfs/dbraw/zinc/05/22/10/452052210.db2.gz PIDLUMZVLLOZMB-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649378630 452052215 /nfs/dbraw/zinc/05/22/15/452052215.db2.gz PIDLUMZVLLOZMB-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833335 452107138 /nfs/dbraw/zinc/10/71/38/452107138.db2.gz RZEGMGHBCXCMEE-QZTJIDSGSA-N 1 3 326.444 1.262 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2ccnn2-c2ccccn2)CC1 ZINC000647189546 452115988 /nfs/dbraw/zinc/11/59/88/452115988.db2.gz BDELUQHOPPIVJD-UHFFFAOYSA-N 1 3 328.464 1.383 20 0 EDADHO CC[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000647268407 452155275 /nfs/dbraw/zinc/15/52/75/452155275.db2.gz BDWRANOCKJSURN-ZBFHGGJFSA-N 1 3 325.478 1.496 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCc3cncc(C)n3)CC2)CC1 ZINC000649631841 452175603 /nfs/dbraw/zinc/17/56/03/452175603.db2.gz OONXKLNQZGUQGR-UHFFFAOYSA-N 1 3 331.508 1.820 20 0 EDADHO CN1CCC[N@H+](CCCNCc2cnnn2-c2ccccc2)CC1 ZINC000651953068 452189009 /nfs/dbraw/zinc/18/90/09/452189009.db2.gz OZEKVGOPMVYDHZ-UHFFFAOYSA-N 1 3 328.464 1.385 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2cnnn2-c2ccccc2)CC1 ZINC000651953068 452189018 /nfs/dbraw/zinc/18/90/18/452189018.db2.gz OZEKVGOPMVYDHZ-UHFFFAOYSA-N 1 3 328.464 1.385 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000647493215 452236891 /nfs/dbraw/zinc/23/68/91/452236891.db2.gz VBQVSOUJDVNWAJ-UHFFFAOYSA-N 1 3 327.432 1.606 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000647517869 452252858 /nfs/dbraw/zinc/25/28/58/452252858.db2.gz PLABRXPSBIAUFL-GOSISDBHSA-N 1 3 336.476 1.480 20 0 EDADHO Cc1ccc(-c2nn(C)cc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541257 452273959 /nfs/dbraw/zinc/27/39/59/452273959.db2.gz UZUTUJWESAMAIP-MRXNPFEDSA-N 1 3 329.448 1.468 20 0 EDADHO CCCN(C(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000638045890 452311934 /nfs/dbraw/zinc/31/19/34/452311934.db2.gz BCBOPVBIANZSEY-GOSISDBHSA-N 1 3 332.492 1.436 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665757886 452325736 /nfs/dbraw/zinc/32/57/36/452325736.db2.gz ZECAQPQKZSBSOA-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H](C)O1 ZINC000665757886 452325745 /nfs/dbraw/zinc/32/57/45/452325745.db2.gz ZECAQPQKZSBSOA-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H]1C ZINC000665763783 452349952 /nfs/dbraw/zinc/34/99/52/452349952.db2.gz LPGSXTNITWHGIY-HRCADAONSA-N 1 3 328.501 1.325 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H]1C ZINC000665763783 452349960 /nfs/dbraw/zinc/34/99/60/452349960.db2.gz LPGSXTNITWHGIY-HRCADAONSA-N 1 3 328.501 1.325 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CN1CCNCC1 ZINC000638063687 452360630 /nfs/dbraw/zinc/36/06/30/452360630.db2.gz OMIFSXKNGFGMID-QGZVFWFLSA-N 1 3 344.503 1.582 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CN1CCNCC1 ZINC000638063687 452360640 /nfs/dbraw/zinc/36/06/40/452360640.db2.gz OMIFSXKNGFGMID-QGZVFWFLSA-N 1 3 344.503 1.582 20 0 EDADHO COC1(C[NH2+]Cc2ccc(CN3CC[C@@H](O)C3)cc2)CCOCC1 ZINC000657594878 452363984 /nfs/dbraw/zinc/36/39/84/452363984.db2.gz FBHHWLQGXDKTOZ-GOSISDBHSA-N 1 3 334.460 1.538 20 0 EDADHO CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000638080237 452396639 /nfs/dbraw/zinc/39/66/39/452396639.db2.gz SXRQMYWTJPIACC-IEBWSBKVSA-N 1 3 344.503 1.576 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659583250 452438674 /nfs/dbraw/zinc/43/86/74/452438674.db2.gz ZUSBKSSLRTWXRY-NSNWQYSKSA-N 1 3 334.439 1.663 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000645507195 452474017 /nfs/dbraw/zinc/47/40/17/452474017.db2.gz FFNWNHRMAPITQE-UHFFFAOYSA-N 1 3 330.476 1.322 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000655680471 452506212 /nfs/dbraw/zinc/50/62/12/452506212.db2.gz MHYPEQNWWQGONN-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345572 452519041 /nfs/dbraw/zinc/51/90/41/452519041.db2.gz GBYOZTZOECNFTI-BQFCYCMXSA-N 1 3 337.508 1.996 20 0 EDADHO COc1ccc([C@@H](CCO)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655723820 452536501 /nfs/dbraw/zinc/53/65/01/452536501.db2.gz QATRKTNHTJKABU-IEBWSBKVSA-N 1 3 334.460 1.962 20 0 EDADHO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000657844760 452562874 /nfs/dbraw/zinc/56/28/74/452562874.db2.gz SMZVMMMCKYSTEI-MRXNPFEDSA-N 1 3 328.464 1.204 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661879925 452647365 /nfs/dbraw/zinc/64/73/65/452647365.db2.gz GDJALEIQCUZWKO-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655923191 452689262 /nfs/dbraw/zinc/68/92/62/452689262.db2.gz WGWCRNBULDSZRU-GFCCVEGCSA-N 1 3 340.390 1.065 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000661947058 452701858 /nfs/dbraw/zinc/70/18/58/452701858.db2.gz FCMXMXZKFKXVMW-HNNXBMFYSA-N 1 3 347.463 1.406 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccncc3OC)CC2)C1 ZINC000661947058 452701868 /nfs/dbraw/zinc/70/18/68/452701868.db2.gz FCMXMXZKFKXVMW-HNNXBMFYSA-N 1 3 347.463 1.406 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718637 452720570 /nfs/dbraw/zinc/72/05/70/452720570.db2.gz QYNVZLKOODWRAO-QXSJWSMHSA-N 1 3 348.495 1.126 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655959187 452738571 /nfs/dbraw/zinc/73/85/71/452738571.db2.gz QQABMBLKQBMDAC-DLBZAZTESA-N 1 3 344.459 1.525 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000655973864 452756776 /nfs/dbraw/zinc/75/67/76/452756776.db2.gz JSZOTWSJCVIHJB-IRXDYDNUSA-N 1 3 338.496 1.543 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035014 452770318 /nfs/dbraw/zinc/77/03/18/452770318.db2.gz OWPLOLKHVNTZTQ-IAGOWNOFSA-N 1 3 334.512 1.273 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035014 452770328 /nfs/dbraw/zinc/77/03/28/452770328.db2.gz OWPLOLKHVNTZTQ-IAGOWNOFSA-N 1 3 334.512 1.273 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734939 452861454 /nfs/dbraw/zinc/86/14/54/452861454.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734939 452861462 /nfs/dbraw/zinc/86/14/62/452861462.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 1 3 338.496 1.149 20 0 EDADHO NC1(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)Cc2ccccc2C1 ZINC000648177599 452890454 /nfs/dbraw/zinc/89/04/54/452890454.db2.gz IOIOQNJETMBNBS-MSOLQXFVSA-N 1 3 343.471 1.228 20 0 EDADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890755 /nfs/dbraw/zinc/89/07/55/452890755.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 1 3 339.505 1.899 20 0 EDADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890757 /nfs/dbraw/zinc/89/07/57/452890757.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 1 3 339.505 1.899 20 0 EDADHO CS(=O)(=O)NCC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662278659 453005579 /nfs/dbraw/zinc/00/55/79/453005579.db2.gz JHXGXDBYKWVAKI-UHFFFAOYSA-N 1 3 337.489 1.094 20 0 EDADHO OCC1(NCCCCCn2nnc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000662286748 453012639 /nfs/dbraw/zinc/01/26/39/453012639.db2.gz LAMAKZCNFNRBFN-UHFFFAOYSA-N 1 3 344.463 1.215 20 0 EDADHO Cn1ccc(N2CCC[C@@H](N3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293138 453017331 /nfs/dbraw/zinc/01/73/31/453017331.db2.gz JZZUVDWJGRVAKT-DLBZAZTESA-N 1 3 345.491 1.627 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000662337227 453053724 /nfs/dbraw/zinc/05/37/24/453053724.db2.gz KIPMMGFURXETOH-DLBZAZTESA-N 1 3 347.507 1.958 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000662337227 453053731 /nfs/dbraw/zinc/05/37/31/453053731.db2.gz KIPMMGFURXETOH-DLBZAZTESA-N 1 3 347.507 1.958 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662346561 453065064 /nfs/dbraw/zinc/06/50/64/453065064.db2.gz SYVDQXVLEDMUGU-HZPDHXFCSA-N 1 3 341.459 1.389 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664407512 453068225 /nfs/dbraw/zinc/06/82/25/453068225.db2.gz GQCAKIVFDXQVSF-NVXWUHKLSA-N 1 3 338.496 1.101 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664407512 453068237 /nfs/dbraw/zinc/06/82/37/453068237.db2.gz GQCAKIVFDXQVSF-NVXWUHKLSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662402871 453115011 /nfs/dbraw/zinc/11/50/11/453115011.db2.gz PXRGUHRKXLHCBR-AWEZNQCLSA-N 1 3 348.495 1.443 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000666770762 453136305 /nfs/dbraw/zinc/13/63/05/453136305.db2.gz VRNPMZBGNSRDJJ-BLLLJJGKSA-N 1 3 330.432 1.245 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2c1CNC2 ZINC000662466253 453175860 /nfs/dbraw/zinc/17/58/60/453175860.db2.gz DRTXTLIQCIAXJR-CQSZACIVSA-N 1 3 329.444 1.521 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000664571539 453206996 /nfs/dbraw/zinc/20/69/96/453206996.db2.gz CEFNDFGVURBQPV-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000664571539 453207001 /nfs/dbraw/zinc/20/70/01/453207001.db2.gz CEFNDFGVURBQPV-XHSDSOJGSA-N 1 3 328.501 1.373 20 0 EDADHO CCN1C[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000648746861 453231431 /nfs/dbraw/zinc/23/14/31/453231431.db2.gz NVRBJBKSQKCTNW-QGZVFWFLSA-N 1 3 331.460 1.872 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000664598248 453232336 /nfs/dbraw/zinc/23/23/36/453232336.db2.gz GGHCJVYGVUDUNQ-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000664598248 453232344 /nfs/dbraw/zinc/23/23/44/453232344.db2.gz GGHCJVYGVUDUNQ-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112964 453299614 /nfs/dbraw/zinc/29/96/14/453299614.db2.gz OEYHSKOEYSKUCT-DLBZAZTESA-N 1 3 331.460 1.774 20 0 EDADHO CN(CC[NH+]1CCCCC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666979160 453300556 /nfs/dbraw/zinc/30/05/56/453300556.db2.gz OEYWMILCQDHTMC-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576425 453303929 /nfs/dbraw/zinc/30/39/29/453303929.db2.gz XMIJSUFAXWRYLF-NVXWUHKLSA-N 1 3 340.431 1.135 20 0 EDADHO CN1CCC[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1c1cccs1 ZINC000653121796 453312861 /nfs/dbraw/zinc/31/28/61/453312861.db2.gz BUYKCPKTMBWJRE-OFQRWUPVSA-N 1 3 338.521 1.526 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638491 453354295 /nfs/dbraw/zinc/35/42/95/453354295.db2.gz RLCBHMZZJGRDDR-ROUUACIJSA-N 1 3 330.476 1.798 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000662660073 453373928 /nfs/dbraw/zinc/37/39/28/453373928.db2.gz BIPWVVGSVDAXTC-ZWKOTPCHSA-N 1 3 332.492 1.041 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662699441 453420186 /nfs/dbraw/zinc/42/01/86/453420186.db2.gz AHJYMULBMJIPMW-CALCHBBNSA-N 1 3 348.535 1.665 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662699441 453420191 /nfs/dbraw/zinc/42/01/91/453420191.db2.gz AHJYMULBMJIPMW-CALCHBBNSA-N 1 3 348.535 1.665 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000667127465 453423028 /nfs/dbraw/zinc/42/30/28/453423028.db2.gz JCYVTGSXRORQQJ-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cn(C)nc1C1CC1 ZINC000667127465 453423035 /nfs/dbraw/zinc/42/30/35/453423035.db2.gz JCYVTGSXRORQQJ-ZDUSSCGKSA-N 1 3 336.484 1.691 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000667152681 453442264 /nfs/dbraw/zinc/44/22/64/453442264.db2.gz WPHMLUDSSWXCFO-CQSZACIVSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000667152681 453442267 /nfs/dbraw/zinc/44/22/67/453442267.db2.gz WPHMLUDSSWXCFO-CQSZACIVSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCOC[C@H]1C ZINC000664882981 453462308 /nfs/dbraw/zinc/46/23/08/453462308.db2.gz VMZBYCAFPFMUQD-OWCLPIDISA-N 1 3 328.501 1.230 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662739900 453464734 /nfs/dbraw/zinc/46/47/34/453464734.db2.gz VAPOCWUZJQESSK-JOCQHMNTSA-N 1 3 345.447 1.578 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000664898064 453469635 /nfs/dbraw/zinc/46/96/35/453469635.db2.gz XXWQULHHBLFJNV-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664898064 453469641 /nfs/dbraw/zinc/46/96/41/453469641.db2.gz XXWQULHHBLFJNV-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000664898064 453469649 /nfs/dbraw/zinc/46/96/49/453469649.db2.gz XXWQULHHBLFJNV-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO [NH3+][C@H]1C[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000662758914 453497374 /nfs/dbraw/zinc/49/73/74/453497374.db2.gz VEGQSQADJPZOBO-IYARVYRRSA-N 1 3 330.476 1.048 20 0 EDADHO CCc1noc(C)c1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664959890 453517200 /nfs/dbraw/zinc/51/72/00/453517200.db2.gz OBANYYRDGSIDIM-ZDUSSCGKSA-N 1 3 339.484 1.617 20 0 EDADHO CCc1noc(C)c1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664959890 453517202 /nfs/dbraw/zinc/51/72/02/453517202.db2.gz OBANYYRDGSIDIM-ZDUSSCGKSA-N 1 3 339.484 1.617 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266016 453525088 /nfs/dbraw/zinc/52/50/88/453525088.db2.gz JVFMMLPKFBDCTR-HNNXBMFYSA-N 1 3 332.448 1.253 20 0 EDADHO COc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000667328126 453560548 /nfs/dbraw/zinc/56/05/48/453560548.db2.gz DZPYHFOOYBLJMF-UHFFFAOYSA-N 1 3 347.463 1.770 20 0 EDADHO [NH3+]CC1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCCC1 ZINC000662860968 453576064 /nfs/dbraw/zinc/57/60/64/453576064.db2.gz WHNMHSQHLNXRSI-KRWDZBQOSA-N 1 3 331.460 1.389 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC3([NH3+])CCCC3)CC2)c1 ZINC000662863020 453577746 /nfs/dbraw/zinc/57/77/46/453577746.db2.gz JJIATZRAVFUKET-UHFFFAOYSA-N 1 3 344.503 1.895 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000662925921 453608890 /nfs/dbraw/zinc/60/88/90/453608890.db2.gz FVJWEARVNRHAOO-GOSISDBHSA-N 1 3 332.492 1.688 20 0 EDADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCOC2(CNC2)C1 ZINC000663488309 453808330 /nfs/dbraw/zinc/80/83/30/453808330.db2.gz BKFRKUYWDNSZNH-UHFFFAOYSA-N 1 3 329.444 1.099 20 0 EDADHO CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499984 453810973 /nfs/dbraw/zinc/81/09/73/453810973.db2.gz HOKNDLFKNVIXKB-FUHWJXTLSA-N 1 3 330.476 1.394 20 0 EDADHO CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499984 453810975 /nfs/dbraw/zinc/81/09/75/453810975.db2.gz HOKNDLFKNVIXKB-FUHWJXTLSA-N 1 3 330.476 1.394 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cn(C)nc2C(C)(C)C)CC1 ZINC000663502841 453811314 /nfs/dbraw/zinc/81/13/14/453811314.db2.gz CTAQRHPLSWTZOA-UHFFFAOYSA-N 1 3 349.523 1.798 20 0 EDADHO Cc1csc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000663536802 453817927 /nfs/dbraw/zinc/81/79/27/453817927.db2.gz ALZRLRLBTDXJFY-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO Cc1csc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000663536802 453817929 /nfs/dbraw/zinc/81/79/29/453817929.db2.gz ALZRLRLBTDXJFY-LBPRGKRZSA-N 1 3 327.498 1.523 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000672699747 486768125 /nfs/dbraw/zinc/76/81/25/486768125.db2.gz FLLFCNXVAAFMAC-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO Cn1ncc(Cl)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667642326 486895529 /nfs/dbraw/zinc/89/55/29/486895529.db2.gz XGLGHQZMDJBKHZ-UHFFFAOYSA-N 1 3 339.871 1.362 20 0 EDADHO Cc1ccn([C@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000667641163 486893803 /nfs/dbraw/zinc/89/38/03/486893803.db2.gz JTUMRKKCIMSHIB-MRXNPFEDSA-N 1 3 347.507 1.817 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667641688 486893827 /nfs/dbraw/zinc/89/38/27/486893827.db2.gz ZPRGMLQJQBORFV-JKSUJKDBSA-N 1 3 348.495 1.688 20 0 EDADHO Cc1ccncc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641408 486893912 /nfs/dbraw/zinc/89/39/12/486893912.db2.gz RRJCRVCDZLACML-UHFFFAOYSA-N 1 3 330.476 1.607 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000430895783 486897669 /nfs/dbraw/zinc/89/76/69/486897669.db2.gz VAUJVAUBDLRSAQ-MSOLQXFVSA-N 1 3 349.475 1.387 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000681188664 486963781 /nfs/dbraw/zinc/96/37/81/486963781.db2.gz OSURXAGGYFTDMX-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464025 /nfs/dbraw/zinc/46/40/25/487464025.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464026 /nfs/dbraw/zinc/46/40/26/487464026.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO C[NH+](C)CCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000679772533 487464552 /nfs/dbraw/zinc/46/45/52/487464552.db2.gz DNBXAOAOWTUIQM-QGZVFWFLSA-N 1 3 334.464 1.004 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000669323276 485969709 /nfs/dbraw/zinc/96/97/09/485969709.db2.gz GXYVRZZTUANPQY-CGTJXYLNSA-N 1 3 346.475 1.581 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668649544 485994146 /nfs/dbraw/zinc/99/41/46/485994146.db2.gz QLXFKIDMPOOMMV-OKZBNKHCSA-N 1 3 330.476 1.553 20 0 EDADHO OCC1(CO)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668666703 486016951 /nfs/dbraw/zinc/01/69/51/486016951.db2.gz QSQXICDFJOUNRG-UHFFFAOYSA-N 1 3 334.460 1.338 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000669386739 486021501 /nfs/dbraw/zinc/02/15/01/486021501.db2.gz BJRCXSRWMIWKAL-RCCFBDPRSA-N 1 3 330.476 1.936 20 0 EDADHO CN1CCC[N@H+](CCCNCc2ccc(N3CCCC3)nc2)CC1 ZINC000132151846 491215139 /nfs/dbraw/zinc/21/51/39/491215139.db2.gz PVUTYDKSZDUYSM-UHFFFAOYSA-N 1 3 331.508 1.799 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2ccc(N3CCCC3)nc2)CC1 ZINC000132151846 491215142 /nfs/dbraw/zinc/21/51/42/491215142.db2.gz PVUTYDKSZDUYSM-UHFFFAOYSA-N 1 3 331.508 1.799 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246374015 536503452 /nfs/dbraw/zinc/50/34/52/536503452.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 1 3 340.512 1.611 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246374015 536503459 /nfs/dbraw/zinc/50/34/59/536503459.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 1 3 340.512 1.611 20 0 EDADHO CC1CC[NH+](CCCNC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000154794950 528242469 /nfs/dbraw/zinc/24/24/69/528242469.db2.gz SHPMMVPSHJFHDD-UHFFFAOYSA-N 1 3 348.491 1.874 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732224 /nfs/dbraw/zinc/73/22/24/535732224.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 1 3 349.523 1.033 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732231 /nfs/dbraw/zinc/73/22/31/535732231.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 1 3 349.523 1.033 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000236991332 535932804 /nfs/dbraw/zinc/93/28/04/535932804.db2.gz LNLKFCNFXILOGT-NWDGAFQWSA-N 1 3 332.404 1.222 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717678 535955087 /nfs/dbraw/zinc/95/50/87/535955087.db2.gz WPBDAJAWCMYTJA-QRTARXTBSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717678 535955091 /nfs/dbraw/zinc/95/50/91/535955091.db2.gz WPBDAJAWCMYTJA-QRTARXTBSA-N 1 3 346.475 1.696 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262351252 536018193 /nfs/dbraw/zinc/01/81/93/536018193.db2.gz ULXFXTVEVGEDLD-AWEZNQCLSA-N 1 3 325.478 1.498 20 0 EDADHO CN(C)CCNC(=S)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000743035455 579468542 /nfs/dbraw/zinc/46/85/42/579468542.db2.gz DRBMUGXCOOVVGS-KRWDZBQOSA-N 1 3 334.533 1.876 20 0 EDADHO CN(C)CCNC(=S)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000743035455 579468544 /nfs/dbraw/zinc/46/85/44/579468544.db2.gz DRBMUGXCOOVVGS-KRWDZBQOSA-N 1 3 334.533 1.876 20 0 EDADHO COC1CCN(C(C)(C)CNC(=S)NCCC[NH+](C)C)CC1 ZINC000730733719 578656105 /nfs/dbraw/zinc/65/61/05/578656105.db2.gz MHZCHWZALJPVFA-UHFFFAOYSA-N 1 3 330.542 1.292 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C(C)C ZINC000734667326 578828558 /nfs/dbraw/zinc/82/85/58/578828558.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 1 3 339.528 1.138 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)C(C)C ZINC000734667326 578828559 /nfs/dbraw/zinc/82/85/59/578828559.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 1 3 339.528 1.138 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000748947272 579707651 /nfs/dbraw/zinc/70/76/51/579707651.db2.gz GYANPTAELGVDEV-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CN2CCN1CCC2 ZINC000764531234 580122851 /nfs/dbraw/zinc/12/28/51/580122851.db2.gz BEGGWGLKGACBRQ-DAWZGUTISA-N 1 3 334.508 1.290 20 0 EDADHO COCC[NH+]1CCC(NC[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000764770386 580128367 /nfs/dbraw/zinc/12/83/67/580128367.db2.gz BHUDIWVPBYEXQN-KRWDZBQOSA-N 1 3 338.448 1.438 20 0 EDADHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775386977 580389887 /nfs/dbraw/zinc/38/98/87/580389887.db2.gz UZNFWBQBVZZGQA-OAGGEKHMSA-N 1 3 329.579 1.983 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Br)n1 ZINC000775607281 580395187 /nfs/dbraw/zinc/39/51/87/580395187.db2.gz JKOFTDJEKCQHJC-UHFFFAOYSA-N 1 3 343.269 1.410 20 0 EDADHO CN1CCCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776596185 580423448 /nfs/dbraw/zinc/42/34/48/580423448.db2.gz LNGGOGPDXRPZMR-YFHOEESVSA-N 1 3 331.460 1.804 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000892045965 590769683 /nfs/dbraw/zinc/76/96/83/590769683.db2.gz XSAUTNYMNLMFIW-HHXXYDBFSA-N 1 3 330.476 1.745 20 0 EDADHO C[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000892158258 590830731 /nfs/dbraw/zinc/83/07/31/590830731.db2.gz GBHUKRJAGFIXAE-JKSUJKDBSA-N 1 3 331.464 1.834 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)N(C)C)cc1 ZINC000891447419 591074934 /nfs/dbraw/zinc/07/49/34/591074934.db2.gz VYENBULUAFYBEG-JENIJYKNSA-N 1 3 330.476 1.849 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534724 591111764 /nfs/dbraw/zinc/11/17/64/591111764.db2.gz QDPQUDKVFRMLGA-CMKODMSKSA-N 1 3 344.503 1.752 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534724 591111767 /nfs/dbraw/zinc/11/17/67/591111767.db2.gz QDPQUDKVFRMLGA-CMKODMSKSA-N 1 3 344.503 1.752 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891537410 591112527 /nfs/dbraw/zinc/11/25/27/591112527.db2.gz BXPXQECUZKNSSE-QZTJIDSGSA-N 1 3 330.476 1.875 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891537410 591112529 /nfs/dbraw/zinc/11/25/29/591112529.db2.gz BXPXQECUZKNSSE-QZTJIDSGSA-N 1 3 330.476 1.875 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891634654 591159838 /nfs/dbraw/zinc/15/98/38/591159838.db2.gz PGEHYTNUUHBKOR-SJORKVTESA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000891637532 591161334 /nfs/dbraw/zinc/16/13/34/591161334.db2.gz CXBYJYFNHUZBPQ-FQLMCAECSA-N 1 3 326.510 1.254 20 0 EDADHO CCOC(=O)c1cccc(CNCCC[N@@H+]2CCCN(C)CC2)n1 ZINC000894376339 591294785 /nfs/dbraw/zinc/29/47/85/591294785.db2.gz SDZYUUNIAJPEGJ-UHFFFAOYSA-N 1 3 334.464 1.376 20 0 EDADHO CCOC(=O)c1cccc(CNCCC[N@H+]2CCCN(C)CC2)n1 ZINC000894376339 591294788 /nfs/dbraw/zinc/29/47/88/591294788.db2.gz SDZYUUNIAJPEGJ-UHFFFAOYSA-N 1 3 334.464 1.376 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989357 591319281 /nfs/dbraw/zinc/31/92/81/591319281.db2.gz AGZVMWAFRGSCDC-RDGPPVDQSA-N 1 3 343.471 1.659 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989357 591319283 /nfs/dbraw/zinc/31/92/83/591319283.db2.gz AGZVMWAFRGSCDC-RDGPPVDQSA-N 1 3 343.471 1.659 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357043 /nfs/dbraw/zinc/35/70/43/591357043.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 1 3 342.487 1.915 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357046 /nfs/dbraw/zinc/35/70/46/591357046.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 1 3 342.487 1.915 20 0 EDADHO CCc1onc(C)c1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894894768 591462137 /nfs/dbraw/zinc/46/21/37/591462137.db2.gz NQFJOSONWICPCN-UHFFFAOYSA-N 1 3 336.480 1.432 20 0 EDADHO CC[C@@H](C)N[C@@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccco1 ZINC000899080522 591670102 /nfs/dbraw/zinc/67/01/02/591670102.db2.gz VWDBNURCDDHPHD-ZBFHGGJFSA-N 1 3 337.464 1.936 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000895408194 591746558 /nfs/dbraw/zinc/74/65/58/591746558.db2.gz QUMXJMWPPHRRCJ-GOSISDBHSA-N 1 3 343.471 1.488 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 ZINC000895418824 591750996 /nfs/dbraw/zinc/75/09/96/591750996.db2.gz ISEDYLGLYRFDBC-BACDZXNISA-N 1 3 338.496 1.100 20 0 EDADHO CN1CC[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240778 591782557 /nfs/dbraw/zinc/78/25/57/591782557.db2.gz PTZSMVCWZNOICU-RTBURBONSA-N 1 3 343.471 1.659 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000899926799 591983426 /nfs/dbraw/zinc/98/34/26/591983426.db2.gz KARJQCOLOQISEP-HXUWFJFHSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000899926799 591983431 /nfs/dbraw/zinc/98/34/31/591983431.db2.gz KARJQCOLOQISEP-HXUWFJFHSA-N 1 3 345.487 1.614 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599168 592064877 /nfs/dbraw/zinc/06/48/77/592064877.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599168 592064880 /nfs/dbraw/zinc/06/48/80/592064880.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(CO)COCCN1C ZINC000903278824 592150857 /nfs/dbraw/zinc/15/08/57/592150857.db2.gz HPDCMLCHLWDVIR-RLLQIKCJSA-N 1 3 347.503 1.180 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(CO)COCCN1C ZINC000903278824 592150859 /nfs/dbraw/zinc/15/08/59/592150859.db2.gz HPDCMLCHLWDVIR-RLLQIKCJSA-N 1 3 347.503 1.180 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CCCN2CCN(C(C)C)CC2)C1 ZINC000900888083 592157705 /nfs/dbraw/zinc/15/77/05/592157705.db2.gz YLOOLBGOBOPEBT-GOSISDBHSA-N 1 3 338.540 1.735 20 0 EDADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161241 /nfs/dbraw/zinc/16/12/41/592161241.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 1 3 331.460 1.224 20 0 EDADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161243 /nfs/dbraw/zinc/16/12/43/592161243.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 1 3 331.460 1.224 20 0 EDADHO COC(=O)c1cccc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903493530 592186150 /nfs/dbraw/zinc/18/61/50/592186150.db2.gz UIMSWFYWGYZNLU-DAYGRLMNSA-N 1 3 332.400 1.186 20 0 EDADHO Cc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496345 592187756 /nfs/dbraw/zinc/18/77/56/592187756.db2.gz LCVTZXLXNZDYJG-HUUCEWRRSA-N 1 3 332.448 1.868 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906649476 592233952 /nfs/dbraw/zinc/23/39/52/592233952.db2.gz DJKBYFOCSUCCJS-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000904340870 592234503 /nfs/dbraw/zinc/23/45/03/592234503.db2.gz MLHQDLSTJHOYFZ-JZXOWHBKSA-N 1 3 328.460 1.147 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345514 592235287 /nfs/dbraw/zinc/23/52/87/592235287.db2.gz IZFULQVKWOEUKG-AHIWAGSCSA-N 1 3 333.432 1.478 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656086 592238458 /nfs/dbraw/zinc/23/84/58/592238458.db2.gz PSTZUNSXJDAUAE-MRXNPFEDSA-N 1 3 346.475 1.762 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)C[C@H]1C ZINC000906657099 592238966 /nfs/dbraw/zinc/23/89/66/592238966.db2.gz KEAPJGYWAZCGII-HIFRSBDPSA-N 1 3 332.448 1.415 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)C[C@H]1C ZINC000906657099 592238971 /nfs/dbraw/zinc/23/89/71/592238971.db2.gz KEAPJGYWAZCGII-HIFRSBDPSA-N 1 3 332.448 1.415 20 0 EDADHO CCOC1CC(CNC[C@@H]([NH3+])CCC(C)(C)C)(N2CCOCC2)C1 ZINC000904368098 592239451 /nfs/dbraw/zinc/23/94/51/592239451.db2.gz HXXTZSXDSFDRTE-MUYFXNHWSA-N 1 3 341.540 2.000 20 0 EDADHO Cn1c2ccc(CN3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2sc1=O ZINC000904393338 592244255 /nfs/dbraw/zinc/24/42/55/592244255.db2.gz QKUZRMHWTCMYSM-AWEZNQCLSA-N 1 3 347.484 1.930 20 0 EDADHO C[C@]1(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCC[NH2+]C1 ZINC000904377234 592245294 /nfs/dbraw/zinc/24/52/94/592245294.db2.gz LIBOLOUWCNNRQU-QKLQHJQFSA-N 1 3 341.455 1.493 20 0 EDADHO C[C@]1(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCCNC1 ZINC000904377234 592245297 /nfs/dbraw/zinc/24/52/97/592245297.db2.gz LIBOLOUWCNNRQU-QKLQHJQFSA-N 1 3 341.455 1.493 20 0 EDADHO C[C@]1(C[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CCCNC1 ZINC000904377234 592245303 /nfs/dbraw/zinc/24/53/03/592245303.db2.gz LIBOLOUWCNNRQU-QKLQHJQFSA-N 1 3 341.455 1.493 20 0 EDADHO [NH3+]C[C@@H]1CN(Cc2ccc(N3CCNCC3)o2)CC[C@H]1C(F)(F)F ZINC000904380929 592246397 /nfs/dbraw/zinc/24/63/97/592246397.db2.gz QHQBJWBOCOAIQM-TZMCWYRMSA-N 1 3 346.397 1.648 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157065 592266232 /nfs/dbraw/zinc/26/62/32/592266232.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 1 3 335.492 1.309 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157065 592266235 /nfs/dbraw/zinc/26/62/35/592266235.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 1 3 335.492 1.309 20 0 EDADHO O=C1C[C@H](c2ccccc2)N(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723305 592284225 /nfs/dbraw/zinc/28/42/25/592284225.db2.gz UXZFHJPZZUYWHA-QZTJIDSGSA-N 1 3 343.471 1.708 20 0 EDADHO NC(=O)c1ccc(CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725460 592285260 /nfs/dbraw/zinc/28/52/60/592285260.db2.gz ZVVDJUPHOUVNSX-PKOBYXMFSA-N 1 3 329.444 1.519 20 0 EDADHO COCCOCCN(Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732262 592287964 /nfs/dbraw/zinc/28/79/64/592287964.db2.gz DRZYZTGLBMVRDR-VQTJNVASSA-N 1 3 348.487 1.920 20 0 EDADHO O=C1CCCCN1CC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734485 592297981 /nfs/dbraw/zinc/29/79/81/592297981.db2.gz RMIYCXXHUQUEJE-PKOBYXMFSA-N 1 3 335.492 1.480 20 0 EDADHO c1cc(-c2nc(CC3=N[C@@H]4CCCC[C@@H]4N3)no2)nc2c1CC[NH2+]C2 ZINC000904645878 592302871 /nfs/dbraw/zinc/30/28/71/592302871.db2.gz DVZRYOYZISPWHY-BETUJISGSA-N 1 3 338.415 1.633 20 0 EDADHO CN(CC(F)F)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741411 592303197 /nfs/dbraw/zinc/30/31/97/592303197.db2.gz POKOCMDRZJTDCF-HNNXBMFYSA-N 1 3 331.451 1.806 20 0 EDADHO CC1(C)CCN(CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000906722373 592312166 /nfs/dbraw/zinc/31/21/66/592312166.db2.gz STVZRGYCCCMCLL-JKSUJKDBSA-N 1 3 344.459 1.288 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)cc1 ZINC000906722020 592312342 /nfs/dbraw/zinc/31/23/42/592312342.db2.gz PLKFPPXLKWNCPY-ZDUSSCGKSA-N 1 3 332.448 1.493 20 0 EDADHO CCC[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1CCOC ZINC000903756357 592313506 /nfs/dbraw/zinc/31/35/06/592313506.db2.gz QLOOSKUKOHVLCR-KURKYZTESA-N 1 3 325.497 1.188 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891091 592352705 /nfs/dbraw/zinc/35/27/05/592352705.db2.gz JNZIGQRIRQPLAJ-HKUYNNGSSA-N 1 3 349.523 1.033 20 0 EDADHO CC(C)(C)CCN1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903887035 592364987 /nfs/dbraw/zinc/36/49/87/592364987.db2.gz WVTZSWGACZJAAE-MRXNPFEDSA-N 1 3 334.512 1.756 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905034505 592372448 /nfs/dbraw/zinc/37/24/48/592372448.db2.gz KLPLPRTWLRDMBP-SFHVURJKSA-N 1 3 341.446 1.930 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](c3nccn3C)C2)cnn1C ZINC000903913975 592376123 /nfs/dbraw/zinc/37/61/23/592376123.db2.gz QYDMDMPSDIUQIU-HZPDHXFCSA-N 1 3 330.480 1.459 20 0 EDADHO Cc1cccc2c1CNCCN2Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919008 592376966 /nfs/dbraw/zinc/37/69/66/592376966.db2.gz KJLNIWZQGLRLMX-OAHLLOKOSA-N 1 3 326.448 1.621 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNc2ccc3c(c2)CNCCO3)cnn1C ZINC000903919669 592377588 /nfs/dbraw/zinc/37/75/88/592377588.db2.gz PLCBSIJHGGSMMG-AWEZNQCLSA-N 1 3 329.448 1.440 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2CCCO[C@@H]2c2ccncc2)cnn1C ZINC000903927841 592380796 /nfs/dbraw/zinc/38/07/96/592380796.db2.gz UKQGNOFSIZWVAE-AYOQOUSVSA-N 1 3 343.475 1.751 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)C[C@@]1(O)CCOC1 ZINC000905023301 592383636 /nfs/dbraw/zinc/38/36/36/592383636.db2.gz FXCQLLCAOCWTGN-OALUTQOASA-N 1 3 334.460 1.274 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978209 592399119 /nfs/dbraw/zinc/39/91/19/592399119.db2.gz AAWMYOCQNZBFKP-WCQYABFASA-N 1 3 337.361 1.550 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978209 592399123 /nfs/dbraw/zinc/39/91/23/592399123.db2.gz AAWMYOCQNZBFKP-WCQYABFASA-N 1 3 337.361 1.550 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(c3ccn(C)n3)CC2)cnn1C ZINC000903987358 592406072 /nfs/dbraw/zinc/40/60/72/592406072.db2.gz DEQMJVNQUDLGEZ-HNNXBMFYSA-N 1 3 330.480 1.459 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905147044 592437669 /nfs/dbraw/zinc/43/76/69/592437669.db2.gz PFNNVYJNYXTYKM-ZWKOTPCHSA-N 1 3 326.481 1.276 20 0 EDADHO CCN(CC)CCN(CC(C)C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333011 592508388 /nfs/dbraw/zinc/50/83/88/592508388.db2.gz TUAVVZLJMQBSRH-UHFFFAOYSA-N 1 3 333.542 1.616 20 0 EDADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(CN(CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504801 592546894 /nfs/dbraw/zinc/54/68/94/592546894.db2.gz YGJIVLORWBNZDN-FVVUREQNSA-N 1 3 342.524 1.623 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000907862340 592819376 /nfs/dbraw/zinc/81/93/76/592819376.db2.gz RAMRLMVDZQWPEL-AZUAARDMSA-N 1 3 345.487 1.472 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000907862340 592819380 /nfs/dbraw/zinc/81/93/80/592819380.db2.gz RAMRLMVDZQWPEL-AZUAARDMSA-N 1 3 345.487 1.472 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4[nH]ccc4n3)CC2)CC1 ZINC000906464370 592828663 /nfs/dbraw/zinc/82/86/63/592828663.db2.gz AZEFXQSWPGJUGC-UHFFFAOYSA-N 1 3 341.459 1.851 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906645772 592865783 /nfs/dbraw/zinc/86/57/83/592865783.db2.gz NAIXQMSMHNCTQP-OAHLLOKOSA-N 1 3 346.475 1.712 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906645772 592865784 /nfs/dbraw/zinc/86/57/84/592865784.db2.gz NAIXQMSMHNCTQP-OAHLLOKOSA-N 1 3 346.475 1.712 20 0 EDADHO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc2n1CCN[C@H]2C ZINC000911664190 592973320 /nfs/dbraw/zinc/97/33/20/592973320.db2.gz IXPWTOLKWPZDJH-JSGCOSHPSA-N 1 3 328.416 1.591 20 0 EDADHO C[C@H](NC(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000911725646 592989071 /nfs/dbraw/zinc/98/90/71/592989071.db2.gz OAEQEOZABMTSFT-GLQYFDAESA-N 1 3 330.432 1.017 20 0 EDADHO CCCN(C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911769396 593001331 /nfs/dbraw/zinc/00/13/31/593001331.db2.gz VPCOGOYEUWCIDP-HUUCEWRRSA-N 1 3 330.432 1.113 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000816450808 593524601 /nfs/dbraw/zinc/52/46/01/593524601.db2.gz CLRYPJBQTOQQCQ-HYVNUMGLSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000816450808 593524603 /nfs/dbraw/zinc/52/46/03/593524603.db2.gz CLRYPJBQTOQQCQ-HYVNUMGLSA-N 1 3 330.428 1.919 20 0 EDADHO Cn1c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2oc1=O ZINC000816556503 593531724 /nfs/dbraw/zinc/53/17/24/593531724.db2.gz LFLQCDMQANVRMH-DOTOQJQBSA-N 1 3 345.443 1.599 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000817778669 593631228 /nfs/dbraw/zinc/63/12/28/593631228.db2.gz TZNSRUHHKCZYEC-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000817778669 593631230 /nfs/dbraw/zinc/63/12/30/593631230.db2.gz TZNSRUHHKCZYEC-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897819 593646591 /nfs/dbraw/zinc/64/65/91/593646591.db2.gz BOEVPGWXHZQDSY-CMPLNLGQSA-N 1 3 343.415 1.278 20 0 EDADHO C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817901004 593646939 /nfs/dbraw/zinc/64/69/39/593646939.db2.gz YINMKNGUQORRNM-CMPLNLGQSA-N 1 3 343.415 1.421 20 0 EDADHO C[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817910533 593647831 /nfs/dbraw/zinc/64/78/31/593647831.db2.gz BDMCIRUOUXBNGG-WCQYABFASA-N 1 3 339.452 1.371 20 0 EDADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817944416 593650941 /nfs/dbraw/zinc/65/09/41/593650941.db2.gz BJTIOSQFDJTDBJ-SNVBAGLBSA-N 1 3 331.233 1.539 20 0 EDADHO Cc1ccc([C@@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000819043346 593735232 /nfs/dbraw/zinc/73/52/32/593735232.db2.gz SHBBMEKBJRBPQL-SFHVURJKSA-N 1 3 333.476 1.561 20 0 EDADHO C[NH+](C)CCOCCNC[C@@H](O)c1ccccc1Br ZINC000819211052 593744423 /nfs/dbraw/zinc/74/44/23/593744423.db2.gz QGZZWHXMNVPMLG-CQSZACIVSA-N 1 3 331.254 1.650 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819387602 593753036 /nfs/dbraw/zinc/75/30/36/593753036.db2.gz BXTXLADZXPZEKP-MRXNPFEDSA-N 1 3 327.419 1.614 20 0 EDADHO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820133381 593794006 /nfs/dbraw/zinc/79/40/06/593794006.db2.gz QCIBIBHNNCTXJF-UHFFFAOYSA-N 1 3 330.436 1.192 20 0 EDADHO C[NH+](C)CC1CC[NH+](CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821583452 593869094 /nfs/dbraw/zinc/86/90/94/593869094.db2.gz WAIZZHKDTDWETA-UHFFFAOYSA-N 1 3 344.463 1.909 20 0 EDADHO C[NH+](C)CC1CC[NH+](CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821583452 593869096 /nfs/dbraw/zinc/86/90/96/593869096.db2.gz WAIZZHKDTDWETA-UHFFFAOYSA-N 1 3 344.463 1.909 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2cccnc2-n2ccnc2)CC1 ZINC000820807822 593894528 /nfs/dbraw/zinc/89/45/28/593894528.db2.gz RRZZCMIHUBISBI-UHFFFAOYSA-N 1 3 329.448 1.592 20 0 EDADHO COCc1nc2n(n1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000820823814 593898110 /nfs/dbraw/zinc/89/81/10/593898110.db2.gz PKESPQMYSJWCGJ-WPXLMEDKSA-N 1 3 331.464 1.487 20 0 EDADHO COCc1nc2n(n1)C[C@H](NC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)CC2 ZINC000820823814 593898112 /nfs/dbraw/zinc/89/81/12/593898112.db2.gz PKESPQMYSJWCGJ-WPXLMEDKSA-N 1 3 331.464 1.487 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOCC1CCC1 ZINC000824062049 593921255 /nfs/dbraw/zinc/92/12/55/593921255.db2.gz PCAHFNFDNFJHTL-INIZCTEOSA-N 1 3 326.485 1.776 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOCC1CCC1 ZINC000824062049 593921256 /nfs/dbraw/zinc/92/12/56/593921256.db2.gz PCAHFNFDNFJHTL-INIZCTEOSA-N 1 3 326.485 1.776 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(Cl)n1 ZINC000824819955 594079700 /nfs/dbraw/zinc/07/97/00/594079700.db2.gz RXOXKYWAVBINIF-LBPRGKRZSA-N 1 3 342.871 1.745 20 0 EDADHO COc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(Cl)n1 ZINC000824819955 594079699 /nfs/dbraw/zinc/07/96/99/594079699.db2.gz RXOXKYWAVBINIF-LBPRGKRZSA-N 1 3 342.871 1.745 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncccn1 ZINC000822987087 594132080 /nfs/dbraw/zinc/13/20/80/594132080.db2.gz LPTGBXVHZWEUQY-OAHLLOKOSA-N 1 3 334.468 1.034 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ncccn1 ZINC000822987087 594132081 /nfs/dbraw/zinc/13/20/81/594132081.db2.gz LPTGBXVHZWEUQY-OAHLLOKOSA-N 1 3 334.468 1.034 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956266 594537226 /nfs/dbraw/zinc/53/72/26/594537226.db2.gz LFDBPAIRTLJMNQ-KGLIPLIRSA-N 1 3 340.855 1.270 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831281689 594598715 /nfs/dbraw/zinc/59/87/15/594598715.db2.gz WHTVSLWUKMALER-UHFFFAOYSA-N 1 3 335.452 1.441 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831411518 594626035 /nfs/dbraw/zinc/62/60/35/594626035.db2.gz BUKCAJSSOOHMIC-MRXNPFEDSA-N 1 3 325.403 1.982 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000827240898 594655601 /nfs/dbraw/zinc/65/56/01/594655601.db2.gz QGMVTLAXWJMCGF-MJGOQNOKSA-N 1 3 328.460 1.767 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000841017981 594839646 /nfs/dbraw/zinc/83/96/46/594839646.db2.gz NAKDTYIHEHZANY-KRWDZBQOSA-N 1 3 331.464 1.687 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841791019 594953136 /nfs/dbraw/zinc/95/31/36/594953136.db2.gz LRNQGFNDGAXGQU-IRXDYDNUSA-N 1 3 338.496 1.461 20 0 EDADHO CN1CCC2(CC1)CN(C(=S)NCC(C)(C)C[NH+](C)C)CCO2 ZINC000843283537 595061630 /nfs/dbraw/zinc/06/16/30/595061630.db2.gz AIBLXVLHVVHNQU-UHFFFAOYSA-N 1 3 342.553 1.245 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843491075 595128425 /nfs/dbraw/zinc/12/84/25/595128425.db2.gz IRGIYFRXOGTVEI-CRAIPNDOSA-N 1 3 346.475 1.492 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000846137778 595154710 /nfs/dbraw/zinc/15/47/10/595154710.db2.gz QEFJWWIWHRFJMB-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000844178206 595293498 /nfs/dbraw/zinc/29/34/98/595293498.db2.gz WJJLBYPRVBLAAT-RTBURBONSA-N 1 3 345.487 1.926 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)nn1 ZINC000844199186 595300822 /nfs/dbraw/zinc/30/08/22/595300822.db2.gz VJPKDQLZSAUART-MRXNPFEDSA-N 1 3 334.468 1.166 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000848024184 595306001 /nfs/dbraw/zinc/30/60/01/595306001.db2.gz FPJPBMNQVPTOCX-WMLDXEAASA-N 1 3 331.476 1.408 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(CC[NH2+]C4CC4)n3)cn2)CC1 ZINC000848626393 595418942 /nfs/dbraw/zinc/41/89/42/595418942.db2.gz RCLJVXOPHMPCAR-UHFFFAOYSA-N 1 3 342.447 1.568 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCCc2ccc(OCCN(C)C)cc2)CCO1 ZINC000849095493 595480917 /nfs/dbraw/zinc/48/09/17/595480917.db2.gz AKJQJZKOIQBAQG-HNNXBMFYSA-N 1 3 334.464 1.415 20 0 EDADHO CC[NH+](CC)CCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849485921 595547565 /nfs/dbraw/zinc/54/75/65/595547565.db2.gz YXEJOLZWKSLLSI-SJORKVTESA-N 1 3 335.496 1.304 20 0 EDADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849540973 595559606 /nfs/dbraw/zinc/55/96/06/595559606.db2.gz KLPZJIWGGLVARR-MSOLQXFVSA-N 1 3 349.523 1.694 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CCNC2 ZINC000852857648 595578592 /nfs/dbraw/zinc/57/85/92/595578592.db2.gz AFGMWBQCLWVKJC-OAHLLOKOSA-N 1 3 349.500 1.767 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852857979 595579119 /nfs/dbraw/zinc/57/91/19/595579119.db2.gz LNNONKDVUJXINH-RHSMWYFYSA-N 1 3 344.459 1.638 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852857979 595579121 /nfs/dbraw/zinc/57/91/21/595579121.db2.gz LNNONKDVUJXINH-RHSMWYFYSA-N 1 3 344.459 1.638 20 0 EDADHO Cc1cc(NC(=O)C2=NO[C@@H](CN)C2)ccc1OCC[NH+]1CCCC1 ZINC000852870923 595590500 /nfs/dbraw/zinc/59/05/00/595590500.db2.gz IOHPVJFKGKIODT-OAHLLOKOSA-N 1 3 346.431 1.512 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849606801 595593461 /nfs/dbraw/zinc/59/34/61/595593461.db2.gz CRCOPMYQOALCTH-BPQIPLTHSA-N 1 3 349.523 1.690 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851677262 595880973 /nfs/dbraw/zinc/88/09/73/595880973.db2.gz RZFRGOGQCVGOPS-WMZOPIPTSA-N 1 3 336.480 1.025 20 0 EDADHO Cn1nnnc1CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000866663931 596284588 /nfs/dbraw/zinc/28/45/88/596284588.db2.gz PASKLSZAABRKGR-IAGOWNOFSA-N 1 3 328.464 1.425 20 0 EDADHO Cn1nnnc1CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000866663931 596284591 /nfs/dbraw/zinc/28/45/91/596284591.db2.gz PASKLSZAABRKGR-IAGOWNOFSA-N 1 3 328.464 1.425 20 0 EDADHO C[C@]1(CN2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654280 596645135 /nfs/dbraw/zinc/64/51/35/596645135.db2.gz VSGFMXZOZGDSBD-HAFSJTIUSA-N 1 3 345.409 1.717 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@@H]21 ZINC000868168780 596708854 /nfs/dbraw/zinc/70/88/54/596708854.db2.gz RXKUIDOHYDYEKN-CJNGLKHVSA-N 1 3 330.432 1.727 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)CC[C@@H]21 ZINC000868168780 596708855 /nfs/dbraw/zinc/70/88/55/596708855.db2.gz RXKUIDOHYDYEKN-CJNGLKHVSA-N 1 3 330.432 1.727 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC([NH+]2CCC2)CC1 ZINC000863948411 596724553 /nfs/dbraw/zinc/72/45/53/596724553.db2.gz PSELZXRFHIBIND-GOSISDBHSA-N 1 3 342.487 1.990 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N(C)C ZINC000868225894 596734953 /nfs/dbraw/zinc/73/49/53/596734953.db2.gz WQHDWHGAXKLPGE-IXDOHACOSA-N 1 3 346.475 1.532 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228685 596735961 /nfs/dbraw/zinc/73/59/61/596735961.db2.gz HBISRBPHSZDPGK-OWCLPIDISA-N 1 3 330.432 1.040 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000868229548 596735973 /nfs/dbraw/zinc/73/59/73/596735973.db2.gz OJWKGYVXTMSPRK-YESZJQIVSA-N 1 3 342.443 1.040 20 0 EDADHO C[C@H]1C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866074022 596779228 /nfs/dbraw/zinc/77/92/28/596779228.db2.gz XHJVLIWTWYSNPK-MJBXVCDLSA-N 1 3 342.484 1.040 20 0 EDADHO C[C@H]1C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866074022 596779231 /nfs/dbraw/zinc/77/92/31/596779231.db2.gz XHJVLIWTWYSNPK-MJBXVCDLSA-N 1 3 342.484 1.040 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000876098238 597089016 /nfs/dbraw/zinc/08/90/16/597089016.db2.gz NLSPPECNRSOTLW-IAGOWNOFSA-N 1 3 340.512 1.326 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873107573 597197748 /nfs/dbraw/zinc/19/77/48/597197748.db2.gz VATILPCDPPBXHL-HNAYVOBHSA-N 1 3 344.459 1.063 20 0 EDADHO CCOC1CC2(C[C@@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000876434693 597204709 /nfs/dbraw/zinc/20/47/09/597204709.db2.gz RBZVQFKCQFUPPX-CKDBGZEDSA-N 1 3 326.485 1.079 20 0 EDADHO COCCO[C@@H]1C[C@H](CO)CN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210308 597228769 /nfs/dbraw/zinc/22/87/69/597228769.db2.gz BPULGIQUHFQDMF-DZGCQCFKSA-N 1 3 340.489 1.240 20 0 EDADHO CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](CN)C(F)(F)F)CC1 ZINC000873332798 597259389 /nfs/dbraw/zinc/25/93/89/597259389.db2.gz MLKBLVPVQRNGCA-LBPRGKRZSA-N 1 3 336.402 1.926 20 0 EDADHO CCc1ccc([C@H](CNC(=O)c2c(C[NH3+])cnn2C)N(C)C)cc1 ZINC000876709510 597297442 /nfs/dbraw/zinc/29/74/42/597297442.db2.gz SYEGWTJFJHNWET-INIZCTEOSA-N 1 3 329.448 1.474 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876719337 597302935 /nfs/dbraw/zinc/30/29/35/597302935.db2.gz IWGDYIVCDCZUJE-QAPCUYQASA-N 1 3 332.492 1.424 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876719337 597302939 /nfs/dbraw/zinc/30/29/39/597302939.db2.gz IWGDYIVCDCZUJE-QAPCUYQASA-N 1 3 332.492 1.424 20 0 EDADHO COCCN(C)CCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876745866 597319251 /nfs/dbraw/zinc/31/92/51/597319251.db2.gz RJDOOZKHBWTJOX-UHFFFAOYSA-N 1 3 340.493 1.227 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780312 597337586 /nfs/dbraw/zinc/33/75/86/597337586.db2.gz UKKZYNPQDFESNZ-PBHICJAKSA-N 1 3 334.439 1.715 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876898529 597376530 /nfs/dbraw/zinc/37/65/30/597376530.db2.gz SKXUTJAITMFOJA-FRFSOERESA-N 1 3 334.439 1.671 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146626 597442521 /nfs/dbraw/zinc/44/25/21/597442521.db2.gz WSMGISNCSWWDMC-CABCVRRESA-N 1 3 336.867 1.986 20 0 EDADHO COc1ccc([C@@H]2CN(C(=O)c3ccc4c(c3)CNC4)C[C@H]2[NH3+])cc1 ZINC000877238132 597474533 /nfs/dbraw/zinc/47/45/33/597474533.db2.gz YPVPZRLWNDRMNR-RBUKOAKNSA-N 1 3 337.423 1.865 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1(C)C ZINC000877361469 597501318 /nfs/dbraw/zinc/50/13/18/597501318.db2.gz UOOVRNLISOXAGX-BIAAXOCRSA-N 1 3 337.386 1.115 20 0 EDADHO CC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000878602843 597651765 /nfs/dbraw/zinc/65/17/65/597651765.db2.gz IUPWTMOHZTYFKN-INIZCTEOSA-N 1 3 349.475 1.955 20 0 EDADHO COCC[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000884287482 598055457 /nfs/dbraw/zinc/05/54/57/598055457.db2.gz CMGFQRQOUQKGRO-HNNXBMFYSA-N 1 3 329.391 1.219 20 0 EDADHO COCC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000884325832 598067969 /nfs/dbraw/zinc/06/79/69/598067969.db2.gz BWKBGEDZMVERNJ-KRWDZBQOSA-N 1 3 334.464 1.519 20 0 EDADHO C[N@H+](CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)C1CCCC1 ZINC000914068863 695058853 /nfs/dbraw/zinc/05/88/53/695058853.db2.gz QUOOFYJIYLHMEE-INIZCTEOSA-N 1 3 329.510 1.266 20 0 EDADHO C[N@@H+](CCNS(=O)(=O)C[C@@]12CCN(C1)CCC2)C1CCCC1 ZINC000914068863 695058858 /nfs/dbraw/zinc/05/88/58/695058858.db2.gz QUOOFYJIYLHMEE-INIZCTEOSA-N 1 3 329.510 1.266 20 0 EDADHO O=C(NCC1CN(Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856958 700007297 /nfs/dbraw/zinc/00/72/97/700007297.db2.gz NENDKPIOLDMIHN-IPCDKGFNSA-N 1 3 341.455 1.098 20 0 EDADHO O=C(NCC1CN(Cc2ccccc2)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001031856958 700007298 /nfs/dbraw/zinc/00/72/98/700007298.db2.gz NENDKPIOLDMIHN-IPCDKGFNSA-N 1 3 341.455 1.098 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132646 696530342 /nfs/dbraw/zinc/53/03/42/696530342.db2.gz KHVQETZIZHCKGX-DOTOQJQBSA-N 1 3 325.497 1.722 20 0 EDADHO CN1C[C@@]2(C)CN(S(=O)(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC000918368060 697157918 /nfs/dbraw/zinc/15/79/18/697157918.db2.gz CWAIKRVFVZEGHK-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC3CC(F)(F)C3)C2)CC[N@@H+]1C ZINC001031686991 697517795 /nfs/dbraw/zinc/51/77/95/697517795.db2.gz XGDDYHUUKYGIOA-LSDHHAIUSA-N 1 3 329.435 1.810 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(CC3CC(F)(F)C3)C2)CC[N@H+]1C ZINC001031686991 697517796 /nfs/dbraw/zinc/51/77/96/697517796.db2.gz XGDDYHUUKYGIOA-LSDHHAIUSA-N 1 3 329.435 1.810 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730676 698086522 /nfs/dbraw/zinc/08/65/22/698086522.db2.gz VATXOZAXYOXVSU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1)OC ZINC001031730676 698086530 /nfs/dbraw/zinc/08/65/30/698086530.db2.gz VATXOZAXYOXVSU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC1(C)CO[C@@H](CN2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001031764582 699053547 /nfs/dbraw/zinc/05/35/47/699053547.db2.gz JGHSEDCJMCYKQA-QGZVFWFLSA-N 1 3 349.519 1.726 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)s1 ZINC000939054379 699114717 /nfs/dbraw/zinc/11/47/17/699114717.db2.gz IPSBAZKKTMGKAV-LRDDRELGSA-N 1 3 336.505 1.730 20 0 EDADHO COc1cccc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939054649 699115387 /nfs/dbraw/zinc/11/53/87/699115387.db2.gz MNBPPXBYMFJHDQ-YOEHRIQHSA-N 1 3 346.475 1.369 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128757 699207621 /nfs/dbraw/zinc/20/76/21/699207621.db2.gz PBKBQNNSKYCDSQ-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136631 699223237 /nfs/dbraw/zinc/22/32/37/699223237.db2.gz ALVCDPCFGMKZNI-NVXWUHKLSA-N 1 3 347.507 1.131 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1)N(C)C ZINC000941570953 701580736 /nfs/dbraw/zinc/58/07/36/701580736.db2.gz GYSHSDRYMCIIFJ-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO Cc1cnc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995164848 701604428 /nfs/dbraw/zinc/60/44/28/701604428.db2.gz BPXMXRWBJFBPIA-HZPDHXFCSA-N 1 3 343.475 1.255 20 0 EDADHO C[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939551216 699700487 /nfs/dbraw/zinc/70/04/87/699700487.db2.gz RGBIUWUPLRBZKF-HIFRSBDPSA-N 1 3 342.447 1.131 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1cncs1 ZINC000939808969 699957557 /nfs/dbraw/zinc/95/75/57/699957557.db2.gz HFTMPRZSQICEJR-ZBFHGGJFSA-N 1 3 336.505 1.956 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940159748 700292515 /nfs/dbraw/zinc/29/25/15/700292515.db2.gz SBOUKCMJYQIEKW-INIZCTEOSA-N 1 3 347.507 1.765 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000940159748 700292519 /nfs/dbraw/zinc/29/25/19/700292519.db2.gz SBOUKCMJYQIEKW-INIZCTEOSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cn1 ZINC000940164612 700299545 /nfs/dbraw/zinc/29/95/45/700299545.db2.gz QQEJZUILWPPAIQ-KRWDZBQOSA-N 1 3 347.507 1.842 20 0 EDADHO Cc1csc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995167292 701634633 /nfs/dbraw/zinc/63/46/33/701634633.db2.gz IUOFDAFVBUPKQB-GJZGRUSLSA-N 1 3 348.516 1.922 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328075 700505880 /nfs/dbraw/zinc/50/58/80/700505880.db2.gz FGXKIERFVQBIBU-CABCVRRESA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328075 700505884 /nfs/dbraw/zinc/50/58/84/700505884.db2.gz FGXKIERFVQBIBU-CABCVRRESA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1)N(C)C ZINC000940334496 700514345 /nfs/dbraw/zinc/51/43/45/700514345.db2.gz MVDVVCCPGYXYNO-INIZCTEOSA-N 1 3 333.480 1.596 20 0 EDADHO Cc1cnc(CNC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067642 700529714 /nfs/dbraw/zinc/52/97/14/700529714.db2.gz ADFUZGDWUMJMEO-DOTOQJQBSA-N 1 3 345.491 1.501 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)ncn1 ZINC000940461926 700665656 /nfs/dbraw/zinc/66/56/56/700665656.db2.gz RRKFEFIGTOUZBR-UHFFFAOYSA-N 1 3 331.464 1.352 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081425 700711526 /nfs/dbraw/zinc/71/15/26/700711526.db2.gz VADLTKKBDXNRPZ-HOCLYGCPSA-N 1 3 334.464 1.699 20 0 EDADHO O=C(NCC1CN(CCCc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130412 701842318 /nfs/dbraw/zinc/84/23/18/701842318.db2.gz OZCAGDYAYIMPBQ-UHFFFAOYSA-N 1 3 345.462 1.902 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995799514 702041581 /nfs/dbraw/zinc/04/15/81/702041581.db2.gz SSBAQFLWDFPXOL-DLBZAZTESA-N 1 3 347.507 1.583 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995827810 702101508 /nfs/dbraw/zinc/10/15/08/702101508.db2.gz WPAJSOWECZIAHS-OIISXLGYSA-N 1 3 347.507 1.395 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995827810 702101511 /nfs/dbraw/zinc/10/15/11/702101511.db2.gz WPAJSOWECZIAHS-OIISXLGYSA-N 1 3 347.507 1.395 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902954 702210425 /nfs/dbraw/zinc/21/04/25/702210425.db2.gz ILJIMCXNEBHNSJ-IRXDYDNUSA-N 1 3 337.508 1.580 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CCC1 ZINC000995888874 702228399 /nfs/dbraw/zinc/22/83/99/702228399.db2.gz SKSJDESIZYIQPU-INIZCTEOSA-N 1 3 347.507 1.274 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]CC[C@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917596 702235697 /nfs/dbraw/zinc/23/56/97/702235697.db2.gz LJBCLSUUNPBFLC-RDJZCZTQSA-N 1 3 337.508 1.724 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1)C1CCC1 ZINC000995920069 702240443 /nfs/dbraw/zinc/24/04/43/702240443.db2.gz SEFUOYNINAJPNC-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)N(C)C ZINC000995930260 702260678 /nfs/dbraw/zinc/26/06/78/702260678.db2.gz ZYBFWMWJFDINTK-SJORKVTESA-N 1 3 349.523 1.375 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cncs3)C2)CC[N@@H+]1C ZINC000999208488 706661736 /nfs/dbraw/zinc/66/17/36/706661736.db2.gz NOSVEJSPRANBSA-CWRNSKLLSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cncs3)C2)CC[N@H+]1C ZINC000999208488 706661738 /nfs/dbraw/zinc/66/17/38/706661738.db2.gz NOSVEJSPRANBSA-CWRNSKLLSA-N 1 3 336.505 1.954 20 0 EDADHO Cc1ncccc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151606 702434983 /nfs/dbraw/zinc/43/49/83/702434983.db2.gz AWXLUGRDFRBVBP-MAUKXSAKSA-N 1 3 342.487 1.812 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC000999225583 706683325 /nfs/dbraw/zinc/68/33/25/706683325.db2.gz WQFXGAPGYORUGW-UHFFFAOYSA-N 1 3 345.491 1.738 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302752 702694683 /nfs/dbraw/zinc/69/46/83/702694683.db2.gz YVVKXQJEDPZONW-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996606360 702909725 /nfs/dbraw/zinc/90/97/25/702909725.db2.gz GLBDVQNTZLARRW-GDBMZVCRSA-N 1 3 333.480 1.324 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996606360 702909726 /nfs/dbraw/zinc/90/97/26/702909726.db2.gz GLBDVQNTZLARRW-GDBMZVCRSA-N 1 3 333.480 1.324 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996603628 702913185 /nfs/dbraw/zinc/91/31/85/702913185.db2.gz RQSNNKDFCZFOPG-CRAIPNDOSA-N 1 3 347.507 1.885 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000996603628 702913188 /nfs/dbraw/zinc/91/31/88/702913188.db2.gz RQSNNKDFCZFOPG-CRAIPNDOSA-N 1 3 347.507 1.885 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnc(C)o2)CC1 ZINC000996643624 702946227 /nfs/dbraw/zinc/94/62/27/702946227.db2.gz CTUATVFSOQPXAF-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnc(C)o2)CC1 ZINC000996643624 702946230 /nfs/dbraw/zinc/94/62/30/702946230.db2.gz CTUATVFSOQPXAF-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000996675140 702974110 /nfs/dbraw/zinc/97/41/10/702974110.db2.gz FGOKBMYKUGADLL-MOPGFXCFSA-N 1 3 345.487 1.641 20 0 EDADHO Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996680694 702978816 /nfs/dbraw/zinc/97/88/16/702978816.db2.gz UHCGZVOMVXXGRT-GOSISDBHSA-N 1 3 330.476 1.811 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1)N(C)C ZINC000996691347 702988885 /nfs/dbraw/zinc/98/88/85/702988885.db2.gz KQZNDWAUDHZZGK-RDJZCZTQSA-N 1 3 325.497 1.580 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000996771830 703062049 /nfs/dbraw/zinc/06/20/49/703062049.db2.gz UVQKQQBECGTDLR-UHFFFAOYSA-N 1 3 345.491 1.612 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(NCc3nccs3)CC2)CC[N@@H+]1C ZINC000996923492 703194373 /nfs/dbraw/zinc/19/43/73/703194373.db2.gz SREIHFBYBNPWLV-KBPBESRZSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2CCC(NCc3nccs3)CC2)CC[N@H+]1C ZINC000996923492 703194375 /nfs/dbraw/zinc/19/43/75/703194375.db2.gz SREIHFBYBNPWLV-KBPBESRZSA-N 1 3 336.505 1.954 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008976 703262325 /nfs/dbraw/zinc/26/23/25/703262325.db2.gz NQOAGZJOBYPXHL-GDBMZVCRSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008976 703262328 /nfs/dbraw/zinc/26/23/28/703262328.db2.gz NQOAGZJOBYPXHL-GDBMZVCRSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005507 703262863 /nfs/dbraw/zinc/26/28/63/703262863.db2.gz DSXNARXWUBFCCO-YOEHRIQHSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005507 703262864 /nfs/dbraw/zinc/26/28/64/703262864.db2.gz DSXNARXWUBFCCO-YOEHRIQHSA-N 1 3 333.480 1.181 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997006946 703264259 /nfs/dbraw/zinc/26/42/59/703264259.db2.gz HUFAORIGXRSDFJ-GUYCJALGSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997006946 703264260 /nfs/dbraw/zinc/26/42/60/703264260.db2.gz HUFAORIGXRSDFJ-GUYCJALGSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)on1 ZINC000997059196 703304548 /nfs/dbraw/zinc/30/45/48/703304548.db2.gz WVRVMHCTIQHMSS-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1F ZINC000997053262 703306048 /nfs/dbraw/zinc/30/60/48/703306048.db2.gz KJKMESKZJUJONJ-UHFFFAOYSA-N 1 3 346.406 1.881 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC1 ZINC000997114425 703367135 /nfs/dbraw/zinc/36/71/35/703367135.db2.gz BPLBRZNVQNRGHO-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO CCn1nncc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997116425 703370186 /nfs/dbraw/zinc/37/01/86/703370186.db2.gz ZBJSRQDSRNVFGQ-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC000997116316 703370219 /nfs/dbraw/zinc/37/02/19/703370219.db2.gz WCMISUFIGXJKCP-XLIONFOSSA-N 1 3 349.519 1.726 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997298334 703556244 /nfs/dbraw/zinc/55/62/44/703556244.db2.gz IMDMMHTWBGCIGU-CQSZACIVSA-N 1 3 332.448 1.584 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997298334 703556246 /nfs/dbraw/zinc/55/62/46/703556246.db2.gz IMDMMHTWBGCIGU-CQSZACIVSA-N 1 3 332.448 1.584 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367143 703601544 /nfs/dbraw/zinc/60/15/44/703601544.db2.gz VPNBSQXWJLWTGD-KRWDZBQOSA-N 1 3 334.464 1.938 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000997368209 703604926 /nfs/dbraw/zinc/60/49/26/703604926.db2.gz RIBAIMAVVSXKJG-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(NCc2ccn(C)n2)CC1)[NH+]1CCCC1 ZINC000997370184 703612825 /nfs/dbraw/zinc/61/28/25/703612825.db2.gz VBZXXCMAFAXQLT-GOSISDBHSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997431179 703673420 /nfs/dbraw/zinc/67/34/20/703673420.db2.gz LRTRUUQGOSNGJC-JKSUJKDBSA-N 1 3 347.503 1.959 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311498 /nfs/dbraw/zinc/31/14/98/704311498.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 1 3 347.503 1.430 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311501 /nfs/dbraw/zinc/31/15/01/704311501.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 1 3 347.503 1.430 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC000999309739 706812265 /nfs/dbraw/zinc/81/22/65/706812265.db2.gz VTSPGTHWXNIPQN-MSOLQXFVSA-N 1 3 345.491 1.740 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cnc(C)nc2)C1 ZINC000999309739 706812266 /nfs/dbraw/zinc/81/22/66/706812266.db2.gz VTSPGTHWXNIPQN-MSOLQXFVSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997864432 704771071 /nfs/dbraw/zinc/77/10/71/704771071.db2.gz HXOOOWOCCCMOKK-KRWDZBQOSA-N 1 3 334.464 1.796 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950263 705076445 /nfs/dbraw/zinc/07/64/45/705076445.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950263 705076451 /nfs/dbraw/zinc/07/64/51/705076451.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 1 3 347.507 1.680 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)ncn1 ZINC000998080828 705305847 /nfs/dbraw/zinc/30/58/47/705305847.db2.gz DJIISTYUJFNZCM-OAHLLOKOSA-N 1 3 345.491 1.455 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998216609 705538969 /nfs/dbraw/zinc/53/89/69/705538969.db2.gz IIOHNDRAKUSMLF-KRWDZBQOSA-N 1 3 345.491 1.455 20 0 EDADHO Cc1cnc(CNCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998216609 705538973 /nfs/dbraw/zinc/53/89/73/705538973.db2.gz IIOHNDRAKUSMLF-KRWDZBQOSA-N 1 3 345.491 1.455 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998217714 705540341 /nfs/dbraw/zinc/54/03/41/705540341.db2.gz RWIGPUPLAGFOPW-INIZCTEOSA-N 1 3 333.480 1.090 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998217714 705540346 /nfs/dbraw/zinc/54/03/46/705540346.db2.gz RWIGPUPLAGFOPW-INIZCTEOSA-N 1 3 333.480 1.090 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cn1 ZINC000998547804 705979933 /nfs/dbraw/zinc/97/99/33/705979933.db2.gz ACXGDLZMQXXRQM-UYSNPLJNSA-N 1 3 332.448 1.263 20 0 EDADHO CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000998547934 705982873 /nfs/dbraw/zinc/98/28/73/705982873.db2.gz CMKDRUYZMFWNIC-KVZIAJEVSA-N 1 3 344.503 1.926 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762768 706201228 /nfs/dbraw/zinc/20/12/28/706201228.db2.gz GVNDMPLAXGQDMP-OFLPRAFFSA-N 1 3 334.464 1.935 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762768 706201231 /nfs/dbraw/zinc/20/12/31/706201231.db2.gz GVNDMPLAXGQDMP-OFLPRAFFSA-N 1 3 334.464 1.935 20 0 EDADHO Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999407417 706916940 /nfs/dbraw/zinc/91/69/40/706916940.db2.gz UTAJNIMCELATTF-RWBZWWBESA-N 1 3 330.476 1.953 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)N(C)C ZINC000999423055 706928502 /nfs/dbraw/zinc/92/85/02/706928502.db2.gz NAWOLFGQSVZQHF-HOCLYGCPSA-N 1 3 338.521 1.852 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(CC)c2)C1)N(C)C ZINC000999489262 707025545 /nfs/dbraw/zinc/02/55/45/707025545.db2.gz JUVUGHOAEFLYDR-DLBZAZTESA-N 1 3 335.496 1.366 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946784373 707309131 /nfs/dbraw/zinc/30/91/31/707309131.db2.gz HXUIBGVTVTUGOF-NCOADZHNSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946784373 707309135 /nfs/dbraw/zinc/30/91/35/707309135.db2.gz HXUIBGVTVTUGOF-NCOADZHNSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3conc3C)C[C@H]2CC1)N(C)C ZINC000946784405 707309404 /nfs/dbraw/zinc/30/94/04/707309404.db2.gz JKWRCVGSFVFEMD-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3conc3C)C[C@H]2CC1)N(C)C ZINC000946784405 707309408 /nfs/dbraw/zinc/30/94/08/707309408.db2.gz JKWRCVGSFVFEMD-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)s1 ZINC000999834063 707466638 /nfs/dbraw/zinc/46/66/38/707466638.db2.gz PYDDAOFAFMYCIR-UHFFFAOYSA-N 1 3 336.505 1.935 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836300 707471685 /nfs/dbraw/zinc/47/16/85/707471685.db2.gz JGVYMVUOOIXOPU-JEYLPNPQSA-N 1 3 332.448 1.121 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000999836300 707471688 /nfs/dbraw/zinc/47/16/88/707471688.db2.gz JGVYMVUOOIXOPU-JEYLPNPQSA-N 1 3 332.448 1.121 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC000999877069 707525765 /nfs/dbraw/zinc/52/57/65/707525765.db2.gz YDLBEZPVVSKPFI-LEOMRAHMSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1CC(NCc2nccnc2C)C1 ZINC000999877069 707525769 /nfs/dbraw/zinc/52/57/69/707525769.db2.gz YDLBEZPVVSKPFI-LEOMRAHMSA-N 1 3 345.491 1.738 20 0 EDADHO CCc1ccccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016249871 708122769 /nfs/dbraw/zinc/12/27/69/708122769.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 1 3 329.488 1.934 20 0 EDADHO CCc1ccccc1CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016249871 708122770 /nfs/dbraw/zinc/12/27/70/708122770.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 1 3 329.488 1.934 20 0 EDADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033941310 709147994 /nfs/dbraw/zinc/14/79/94/709147994.db2.gz PFYCDMZEEQWFPN-SFHVURJKSA-N 1 3 347.507 1.227 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002813032 709420650 /nfs/dbraw/zinc/42/06/50/709420650.db2.gz WGQJXDSBHXELCT-FUHWJXTLSA-N 1 3 345.491 1.338 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001002813032 709420652 /nfs/dbraw/zinc/42/06/52/709420652.db2.gz WGQJXDSBHXELCT-FUHWJXTLSA-N 1 3 345.491 1.338 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213211 709565183 /nfs/dbraw/zinc/56/51/83/709565183.db2.gz WGKZAMUQZWQEIE-HZPDHXFCSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213211 709565187 /nfs/dbraw/zinc/56/51/87/709565187.db2.gz WGKZAMUQZWQEIE-HZPDHXFCSA-N 1 3 325.497 1.602 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444944 709989306 /nfs/dbraw/zinc/98/93/06/709989306.db2.gz NSBOHXGPEUGWNR-GOSISDBHSA-N 1 3 333.476 1.979 20 0 EDADHO COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001034439208 710015434 /nfs/dbraw/zinc/01/54/34/710015434.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 1 3 325.497 1.866 20 0 EDADHO COCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001034439208 710015439 /nfs/dbraw/zinc/01/54/39/710015439.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 1 3 325.497 1.866 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488647 710137982 /nfs/dbraw/zinc/13/79/82/710137982.db2.gz WZLFCMHMUSWJSH-QGZVFWFLSA-N 1 3 345.491 1.029 20 0 EDADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628195 710458130 /nfs/dbraw/zinc/45/81/30/710458130.db2.gz NXDHUSBLNKJDAF-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001034716959 710862520 /nfs/dbraw/zinc/86/25/20/710862520.db2.gz TWWYUYWTQPPCGH-QAETUUGQSA-N 1 3 347.507 1.667 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](NCc3ccn(C)n3)CC2)CC[N@H+]1C ZINC001034716959 710862524 /nfs/dbraw/zinc/86/25/24/710862524.db2.gz TWWYUYWTQPPCGH-QAETUUGQSA-N 1 3 347.507 1.667 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC001034734067 710915235 /nfs/dbraw/zinc/91/52/35/710915235.db2.gz JDBLXNSFSQDAIT-BRSBDYLESA-N 1 3 337.508 1.772 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC001034738604 710954118 /nfs/dbraw/zinc/95/41/18/710954118.db2.gz UOEWNSYWFWCHIS-MBGYTDRXSA-N 1 3 345.491 1.500 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC001034738604 710954122 /nfs/dbraw/zinc/95/41/22/710954122.db2.gz UOEWNSYWFWCHIS-MBGYTDRXSA-N 1 3 345.491 1.500 20 0 EDADHO CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001005740723 711275024 /nfs/dbraw/zinc/27/50/24/711275024.db2.gz HMBMBZVZSUQJQH-RMXPPQQLSA-N 1 3 335.492 1.573 20 0 EDADHO CCOC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)C1 ZINC001034957183 711428357 /nfs/dbraw/zinc/42/83/57/711428357.db2.gz LUMDHNFDBHSTBN-AQFXKWCLSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386546 711447676 /nfs/dbraw/zinc/44/76/76/711447676.db2.gz FWYGHHOMUINHHU-MTNOOBJLSA-N 1 3 348.491 1.286 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386546 711447680 /nfs/dbraw/zinc/44/76/80/711447680.db2.gz FWYGHHOMUINHHU-MTNOOBJLSA-N 1 3 348.491 1.286 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@H](C)O)s1)C2 ZINC000922391595 711456255 /nfs/dbraw/zinc/45/62/55/711456255.db2.gz WVYRJPUBSLCETN-IEEZVJAPSA-N 1 3 339.505 1.766 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc([C@H](C)O)s1)C2 ZINC000922391595 711456258 /nfs/dbraw/zinc/45/62/58/711456258.db2.gz WVYRJPUBSLCETN-IEEZVJAPSA-N 1 3 339.505 1.766 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@@H]1C(C)C ZINC000922395538 711469031 /nfs/dbraw/zinc/46/90/31/711469031.db2.gz SSBRURNINFRVIU-YSHGAJCASA-N 1 3 332.492 1.789 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@@H]1C(C)C ZINC000922395538 711469032 /nfs/dbraw/zinc/46/90/32/711469032.db2.gz SSBRURNINFRVIU-YSHGAJCASA-N 1 3 332.492 1.789 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922396061 711470753 /nfs/dbraw/zinc/47/07/53/711470753.db2.gz ZUFXKPYLBYVDSD-BGTYHANMSA-N 1 3 335.496 1.566 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922396061 711470755 /nfs/dbraw/zinc/47/07/55/711470755.db2.gz ZUFXKPYLBYVDSD-BGTYHANMSA-N 1 3 335.496 1.566 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546064 711957013 /nfs/dbraw/zinc/95/70/13/711957013.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 1 3 337.508 1.820 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546064 711957014 /nfs/dbraw/zinc/95/70/14/711957014.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178013276 232059335 /nfs/dbraw/zinc/05/93/35/232059335.db2.gz BNZIWUCAYPEUBS-SJORKVTESA-N 1 3 346.475 1.676 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000102010263 219179749 /nfs/dbraw/zinc/17/97/49/219179749.db2.gz NMKXVBPMQAROPP-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000102010263 219179751 /nfs/dbraw/zinc/17/97/51/219179751.db2.gz NMKXVBPMQAROPP-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2n[nH]cc2c1 ZINC000560508961 306272724 /nfs/dbraw/zinc/27/27/24/306272724.db2.gz SXDYQGLJVBJKFV-CYBMUJFWSA-N 1 3 341.459 1.957 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000561145576 306282640 /nfs/dbraw/zinc/28/26/40/306282640.db2.gz WBQXXBREWJNUSA-FUHWJXTLSA-N 1 3 330.476 1.950 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)C1 ZINC000342975716 539768568 /nfs/dbraw/zinc/76/85/68/539768568.db2.gz JIGCXTHOQYMZPB-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN(CC)CC)C1 ZINC000342975716 539768573 /nfs/dbraw/zinc/76/85/73/539768573.db2.gz JIGCXTHOQYMZPB-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000563206680 306323669 /nfs/dbraw/zinc/32/36/69/306323669.db2.gz MNFHOSDWCUJLMG-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[NH2+]C1CC1 ZINC000563208395 306323689 /nfs/dbraw/zinc/32/36/89/306323689.db2.gz WSYNNUZXOKCCJL-UHFFFAOYSA-N 1 3 330.476 1.457 20 0 EDADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CCC(C)CC1 ZINC000073208744 138215179 /nfs/dbraw/zinc/21/51/79/138215179.db2.gz RTRPBCBUPBVRJM-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO COCCOCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079498244 138261731 /nfs/dbraw/zinc/26/17/31/138261731.db2.gz XZSUERLASDDKSE-CALCHBBNSA-N 1 3 328.497 1.861 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000355446463 283919996 /nfs/dbraw/zinc/91/99/96/283919996.db2.gz PZAPIFBZCNLECF-FGTMMUONSA-N 1 3 338.540 1.638 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000414703067 304129856 /nfs/dbraw/zinc/12/98/56/304129856.db2.gz LNHVRMQEACWLQY-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000414723036 304132983 /nfs/dbraw/zinc/13/29/83/304132983.db2.gz AYNXMUBDJZFUHA-UHFFFAOYSA-N 1 3 344.459 1.071 20 0 EDADHO COc1cccc(CNCCCN2CC[NH2+]CC2)c1OC(F)F ZINC000414773914 304139360 /nfs/dbraw/zinc/13/93/60/304139360.db2.gz AJWAWWVHFNYLHQ-UHFFFAOYSA-N 1 3 329.391 1.682 20 0 EDADHO C[C@H]1CN(CCN2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000191522780 138916589 /nfs/dbraw/zinc/91/65/89/138916589.db2.gz NEJOSURATRCUJT-KRWDZBQOSA-N 1 3 325.497 1.284 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000414834512 304146007 /nfs/dbraw/zinc/14/60/07/304146007.db2.gz SJZWPKSZZKKNCH-XJKSGUPXSA-N 1 3 344.459 1.778 20 0 EDADHO COc1cc(CN2CC[C@@H](NC[C@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077086 304157770 /nfs/dbraw/zinc/15/77/70/304157770.db2.gz DSMBJZIBQJWPLL-VQIMIIECSA-N 1 3 333.476 1.867 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143208 304163830 /nfs/dbraw/zinc/16/38/30/304163830.db2.gz AMKHJUQUUNAMHS-IAGOWNOFSA-N 1 3 344.459 1.430 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000195519327 139019370 /nfs/dbraw/zinc/01/93/70/139019370.db2.gz CVGPACBLGWNGPC-UHFFFAOYSA-N 1 3 347.459 1.348 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000236836340 139033108 /nfs/dbraw/zinc/03/31/08/139033108.db2.gz VLJBZNLFUYAYGI-QGZVFWFLSA-N 1 3 332.492 1.688 20 0 EDADHO CN(C(=O)CC1CC[NH2+]CC1)C1CCN(CCc2ccccn2)CC1 ZINC000237286416 139046560 /nfs/dbraw/zinc/04/65/60/139046560.db2.gz OOUBDKROFVJODG-UHFFFAOYSA-N 1 3 344.503 1.937 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000238061448 139067905 /nfs/dbraw/zinc/06/79/05/139067905.db2.gz CQSGMCNVPJTELF-IAGOWNOFSA-N 1 3 333.501 1.862 20 0 EDADHO OCC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)COC1 ZINC000248400205 139162049 /nfs/dbraw/zinc/16/20/49/139162049.db2.gz KREKNQSFSPUVIG-IPMKNSEASA-N 1 3 330.472 1.886 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000248576047 139168016 /nfs/dbraw/zinc/16/80/16/139168016.db2.gz DOYIFIUMSHGQJM-YTQUADARSA-N 1 3 342.487 1.394 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414915367 284731792 /nfs/dbraw/zinc/73/17/92/284731792.db2.gz ZHFRHDCFJUGPOX-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO CN1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961326 139181722 /nfs/dbraw/zinc/18/17/22/139181722.db2.gz HQOYSYXUZSPRKQ-DOTOQJQBSA-N 1 3 325.416 1.231 20 0 EDADHO C[C@H](O)C[C@@H]1CCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281418 139190241 /nfs/dbraw/zinc/19/02/41/139190241.db2.gz GNVOKXWXNIILJO-RYQLBKOJSA-N 1 3 333.476 1.641 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000415447052 304220660 /nfs/dbraw/zinc/22/06/60/304220660.db2.gz UBIRRWUHKTUXSR-GOEBONIOSA-N 1 3 346.475 1.315 20 0 EDADHO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000261660090 139215224 /nfs/dbraw/zinc/21/52/24/139215224.db2.gz IXFUDJFKSOCXGE-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO C[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000261899749 139235185 /nfs/dbraw/zinc/23/51/85/139235185.db2.gz UWIFZKWAJUYURK-CZUORRHYSA-N 1 3 332.448 1.529 20 0 EDADHO Cc1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1-n1cncn1 ZINC000262070908 139248465 /nfs/dbraw/zinc/24/84/65/139248465.db2.gz CELFBDHVKUBDNU-KRWDZBQOSA-N 1 3 326.448 1.055 20 0 EDADHO Cn1cc(-c2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098273 139250725 /nfs/dbraw/zinc/25/07/25/139250725.db2.gz IILJCTPMXPRUBQ-HNNXBMFYSA-N 1 3 331.489 1.628 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])ccc1CN(C)C ZINC000415763179 251020963 /nfs/dbraw/zinc/02/09/63/251020963.db2.gz QKVOMICFWGJXMP-UHFFFAOYSA-N 1 3 334.464 1.629 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCOCC1 ZINC000262200879 139259465 /nfs/dbraw/zinc/25/94/65/139259465.db2.gz IEXCVBHOLWCNGS-GOSISDBHSA-N 1 3 345.487 1.913 20 0 EDADHO NCc1cc(NC(=O)C2(C[NH3+])CCOCC2)cc(C(F)(F)F)c1 ZINC000262226276 139261597 /nfs/dbraw/zinc/26/15/97/139261597.db2.gz JWKIXKPXAZPKNR-UHFFFAOYSA-N 1 3 331.338 1.858 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000416992968 251121490 /nfs/dbraw/zinc/12/14/90/251121490.db2.gz PTMOKMTWAVWFGL-GOSISDBHSA-N 1 3 347.507 1.361 20 0 EDADHO COc1ccc([C@H](CNC(=O)NCCCC[NH3+])N2CCCC2)cc1 ZINC000416829580 251111539 /nfs/dbraw/zinc/11/15/39/251111539.db2.gz TWRYMGQCIUYIGM-KRWDZBQOSA-N 1 3 334.464 1.870 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417087857 251140818 /nfs/dbraw/zinc/14/08/18/251140818.db2.gz IFXJRAKMKWOLPP-OAHLLOKOSA-N 1 3 328.501 1.502 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827080 251286651 /nfs/dbraw/zinc/28/66/51/251286651.db2.gz FGMMDQRHGXAHCQ-FCEWJHQRSA-N 1 3 333.476 1.898 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000418078526 251320218 /nfs/dbraw/zinc/32/02/18/251320218.db2.gz WJEBDBMTCXXUNV-QZTJIDSGSA-N 1 3 346.475 1.314 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110021 251325326 /nfs/dbraw/zinc/32/53/26/251325326.db2.gz VSVBMNOHNJXWBY-OKZBNKHCSA-N 1 3 328.460 1.369 20 0 EDADHO C[C@@H](NC(=O)NCCCNCc1cccnc1)C(C)(C)C[NH+](C)C ZINC000417850773 251296726 /nfs/dbraw/zinc/29/67/26/251296726.db2.gz FJMYABNXMDASDO-OAHLLOKOSA-N 1 3 335.496 1.837 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000417851426 251297378 /nfs/dbraw/zinc/29/73/78/251297378.db2.gz YPKAPOHGYBPZGL-YSHGAJCASA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426817 251369028 /nfs/dbraw/zinc/36/90/28/251369028.db2.gz KIXKNTFCZPYWSP-RDJZCZTQSA-N 1 3 333.480 1.012 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CCN(C)CC1 ZINC000418194327 251352784 /nfs/dbraw/zinc/35/27/84/251352784.db2.gz DJMISCYMMSKFBJ-UONOGXRCSA-N 1 3 328.526 1.583 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418582773 251379356 /nfs/dbraw/zinc/37/93/56/251379356.db2.gz VUFVEXAOIJGBIG-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO CC1CCC(N2CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)CC1 ZINC000418701035 251388330 /nfs/dbraw/zinc/38/83/30/251388330.db2.gz CKFBPXSKKBJXPU-RUXDESIVSA-N 1 3 332.439 1.875 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878332 252007650 /nfs/dbraw/zinc/00/76/50/252007650.db2.gz IZKPRUOHNBDTPP-GUDVDZBRSA-N 1 3 343.519 1.844 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000422881952 252009230 /nfs/dbraw/zinc/00/92/30/252009230.db2.gz RIYGPDMCAUBYSH-WMZOPIPTSA-N 1 3 331.508 1.701 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150715 252038132 /nfs/dbraw/zinc/03/81/32/252038132.db2.gz BZRBATNATOVOIB-GHMZBOCLSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CNC1 ZINC000423150715 252038136 /nfs/dbraw/zinc/03/81/36/252038136.db2.gz BZRBATNATOVOIB-GHMZBOCLSA-N 1 3 345.256 1.937 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N(CC)CC ZINC000423993924 252110098 /nfs/dbraw/zinc/11/00/98/252110098.db2.gz BJZPROGSNPVNNR-ZACQAIPSSA-N 1 3 325.497 1.852 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791136 252075519 /nfs/dbraw/zinc/07/55/19/252075519.db2.gz GYDNUUWLQHMGBF-JQHSSLGASA-N 1 3 332.492 1.981 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)c1 ZINC000424439980 252231024 /nfs/dbraw/zinc/23/10/24/252231024.db2.gz PNVBSQHDIYBUIE-HUUCEWRRSA-N 1 3 346.475 1.771 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCN2CCC(C)CC2)c1 ZINC000424438370 252231273 /nfs/dbraw/zinc/23/12/73/252231273.db2.gz KZNPSLSPIGTBEK-UHFFFAOYSA-N 1 3 332.448 1.240 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000426210185 252325229 /nfs/dbraw/zinc/32/52/29/252325229.db2.gz LBVGRJZKHNOLLO-YQQAZPJKSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000426210185 252325231 /nfs/dbraw/zinc/32/52/31/252325231.db2.gz LBVGRJZKHNOLLO-YQQAZPJKSA-N 1 3 338.496 1.364 20 0 EDADHO COCCN1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358046391 285012183 /nfs/dbraw/zinc/01/21/83/285012183.db2.gz ZFSWRQIXROYBOM-CALCHBBNSA-N 1 3 327.513 1.576 20 0 EDADHO CN(CCN1CCCC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000112742466 220393155 /nfs/dbraw/zinc/39/31/55/220393155.db2.gz XDUKIQFZQZVCAF-UHFFFAOYSA-N 1 3 348.491 1.864 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578499 285243698 /nfs/dbraw/zinc/24/36/98/285243698.db2.gz LENUQFOMEIJFQA-QGZVFWFLSA-N 1 3 349.523 1.834 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578499 285243699 /nfs/dbraw/zinc/24/36/99/285243699.db2.gz LENUQFOMEIJFQA-QGZVFWFLSA-N 1 3 349.523 1.834 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(F)(F)F ZINC000344637540 285278432 /nfs/dbraw/zinc/27/84/32/285278432.db2.gz YTXVOOCXWUVWQA-OLZOCXBDSA-N 1 3 338.418 1.995 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)C(F)(F)F ZINC000344637540 285278436 /nfs/dbraw/zinc/27/84/36/285278436.db2.gz YTXVOOCXWUVWQA-OLZOCXBDSA-N 1 3 338.418 1.995 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415800897 304274461 /nfs/dbraw/zinc/27/44/61/304274461.db2.gz DVXRSWGIGBNCAM-HOCLYGCPSA-N 1 3 346.475 1.629 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290012 285322140 /nfs/dbraw/zinc/32/21/40/285322140.db2.gz KQTSAHRPUPFZTD-SJLPKXTDSA-N 1 3 332.492 1.119 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000271141275 140244580 /nfs/dbraw/zinc/24/45/80/140244580.db2.gz VIFTZYLMCYOKFC-QAPCUYQASA-N 1 3 348.491 1.113 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000271141275 140244581 /nfs/dbraw/zinc/24/45/81/140244581.db2.gz VIFTZYLMCYOKFC-QAPCUYQASA-N 1 3 348.491 1.113 20 0 EDADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1=CCN(C)CC1 ZINC000333247438 141287402 /nfs/dbraw/zinc/28/74/02/141287402.db2.gz BXKVEFIPUDFPPT-WFASDCNBSA-N 1 3 329.448 1.670 20 0 EDADHO C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1=CCN(C)CC1 ZINC000333247437 141287462 /nfs/dbraw/zinc/28/74/62/141287462.db2.gz BXKVEFIPUDFPPT-SWLSCSKDSA-N 1 3 329.448 1.670 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333422319 141315252 /nfs/dbraw/zinc/31/52/52/141315252.db2.gz SROLUWJJJRAUBP-GJZGRUSLSA-N 1 3 340.537 1.869 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000333526079 141331871 /nfs/dbraw/zinc/33/18/71/141331871.db2.gz HGOSXBRJEMXYAM-LSDHHAIUSA-N 1 3 331.464 1.690 20 0 EDADHO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000339277022 142000887 /nfs/dbraw/zinc/00/08/87/142000887.db2.gz WKXDEFIZQLLUSW-CVEARBPZSA-N 1 3 326.481 1.935 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000340120085 142272035 /nfs/dbraw/zinc/27/20/35/142272035.db2.gz QIZIDBWEVQEZHQ-WMZOPIPTSA-N 1 3 345.491 1.085 20 0 EDADHO C(=C\CN1CC[NH+](C2CCC2)CC1)\CN1CCN(C2CCC2)CC1 ZINC000340196030 142299165 /nfs/dbraw/zinc/29/91/65/142299165.db2.gz NTRKIHVXSOIOEO-UPHRSURJSA-N 1 3 332.536 1.883 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000340213117 142305732 /nfs/dbraw/zinc/30/57/32/142305732.db2.gz SZAACQCROZMBLE-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](C[NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000345399802 143086618 /nfs/dbraw/zinc/08/66/18/143086618.db2.gz ZITNDCJNLRDPSO-KRWDZBQOSA-N 1 3 337.483 1.909 20 0 EDADHO CCCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092855 143281779 /nfs/dbraw/zinc/28/17/79/143281779.db2.gz GHGQWIBBCLVHNK-MRXNPFEDSA-N 1 3 349.475 1.771 20 0 EDADHO CC[NH+]1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000347233485 143298144 /nfs/dbraw/zinc/29/81/44/143298144.db2.gz FQDHIGBRPTVUIL-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000347442277 143321532 /nfs/dbraw/zinc/32/15/32/143321532.db2.gz XCACOVQFJUBOPT-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000416842256 304350500 /nfs/dbraw/zinc/35/05/00/304350500.db2.gz MYZCQIFLTDSLPI-SQNIBIBYSA-N 1 3 332.492 1.976 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416859275 304352542 /nfs/dbraw/zinc/35/25/42/304352542.db2.gz ZUKGBXJXLAPVGA-KBPBESRZSA-N 1 3 328.407 1.441 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000353084654 149280183 /nfs/dbraw/zinc/28/01/83/149280183.db2.gz GNQLYHSIDJWWQD-OAHLLOKOSA-N 1 3 342.553 1.987 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1 ZINC000416963092 304355922 /nfs/dbraw/zinc/35/59/22/304355922.db2.gz BAAKZBNACDBIGN-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000416973153 304358367 /nfs/dbraw/zinc/35/83/67/304358367.db2.gz IIDWKOCCIQKSIS-SZMVWBNQSA-N 1 3 346.475 1.506 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000360396003 152020380 /nfs/dbraw/zinc/02/03/80/152020380.db2.gz KTCVBHULQJRQIL-LZWOXQAQSA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000360396003 152020385 /nfs/dbraw/zinc/02/03/85/152020385.db2.gz KTCVBHULQJRQIL-LZWOXQAQSA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCSC1 ZINC000360745766 152181936 /nfs/dbraw/zinc/18/19/36/152181936.db2.gz NDJDNXYILYIISI-WBVHZDCISA-N 1 3 342.553 1.940 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCSC1 ZINC000360745766 152181937 /nfs/dbraw/zinc/18/19/37/152181937.db2.gz NDJDNXYILYIISI-WBVHZDCISA-N 1 3 342.553 1.940 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360747457 152182930 /nfs/dbraw/zinc/18/29/30/152182930.db2.gz SKGIPZXDGGHLDZ-NVXWUHKLSA-N 1 3 342.553 1.797 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360747457 152182933 /nfs/dbraw/zinc/18/29/33/152182933.db2.gz SKGIPZXDGGHLDZ-NVXWUHKLSA-N 1 3 342.553 1.797 20 0 EDADHO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000361108370 152307362 /nfs/dbraw/zinc/30/73/62/152307362.db2.gz CCCFCCMRWHJGME-IRXDYDNUSA-N 1 3 335.492 1.998 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(CCN3CCCOCC3)CC2)CC1 ZINC000361328735 152362774 /nfs/dbraw/zinc/36/27/74/152362774.db2.gz QCUIWHMWPHBJMT-UHFFFAOYSA-N 1 3 338.540 1.199 20 0 EDADHO CC(=O)NC1CCC([NH2+][C@H](CC(C)C)C(=O)NCCN(C)C)CC1 ZINC000361436221 152395001 /nfs/dbraw/zinc/39/50/01/152395001.db2.gz SBHKVEAEBRYGSI-OFLPRAFFSA-N 1 3 340.512 1.116 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000574159800 306644060 /nfs/dbraw/zinc/64/40/60/306644060.db2.gz KIEZEBWPOMMQEI-WMZOPIPTSA-N 1 3 339.443 1.506 20 0 EDADHO CCOC(=O)[C@](C)(O)CN1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000364278526 153194816 /nfs/dbraw/zinc/19/48/16/153194816.db2.gz AEDVVRMDGPSWHO-GOSISDBHSA-N 1 3 326.481 1.744 20 0 EDADHO COC[C@@]1(CNC(=O)NCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233101 304386586 /nfs/dbraw/zinc/38/65/86/304386586.db2.gz RKGUEUMIWGMOAW-SFHVURJKSA-N 1 3 334.464 1.186 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561891 155088086 /nfs/dbraw/zinc/08/80/86/155088086.db2.gz QCBLATYAFJEEBK-UAGQMJEPSA-N 1 3 331.464 1.506 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179455 /nfs/dbraw/zinc/17/94/55/156179455.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179457 /nfs/dbraw/zinc/17/94/57/156179457.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372305393 156323702 /nfs/dbraw/zinc/32/37/02/156323702.db2.gz PWGPSPBLDOJQKZ-KRWDZBQOSA-N 1 3 340.512 1.328 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000361880051 162305426 /nfs/dbraw/zinc/30/54/26/162305426.db2.gz KGGUNDGRKLGIPK-OAHLLOKOSA-N 1 3 331.460 1.921 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383490 /nfs/dbraw/zinc/38/34/90/162383490.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383494 /nfs/dbraw/zinc/38/34/94/162383494.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000067612936 287246324 /nfs/dbraw/zinc/24/63/24/287246324.db2.gz VGQZZQQNBSIBHF-QGZVFWFLSA-N 1 3 338.496 1.005 20 0 EDADHO C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000074109231 287267444 /nfs/dbraw/zinc/26/74/44/287267444.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000074109231 287267445 /nfs/dbraw/zinc/26/74/45/287267445.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc2ccccc2s1 ZINC000077750919 287289697 /nfs/dbraw/zinc/28/96/97/287289697.db2.gz HHVFOJIXBMKXNO-UHFFFAOYSA-N 1 3 349.504 1.931 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000665762847 452339951 /nfs/dbraw/zinc/33/99/51/452339951.db2.gz ROHZVBIBIIDUHD-HOTGVXAUSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCO[C@H](C(C)(C)C)C1 ZINC000665762847 452339959 /nfs/dbraw/zinc/33/99/59/452339959.db2.gz ROHZVBIBIIDUHD-HOTGVXAUSA-N 1 3 342.528 1.715 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC(C)(C)[NH3+] ZINC000418413896 304493640 /nfs/dbraw/zinc/49/36/40/304493640.db2.gz KMEXDVODGHQUFX-UHFFFAOYSA-N 1 3 328.407 1.775 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418431523 304494948 /nfs/dbraw/zinc/49/49/48/304494948.db2.gz QZQAPRPYIHHJAK-QAPCUYQASA-N 1 3 348.491 1.421 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000237548370 273010710 /nfs/dbraw/zinc/01/07/10/273010710.db2.gz HBOUAMHDGYLDAW-ZACQAIPSSA-N 1 3 325.497 1.629 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654460851 452527337 /nfs/dbraw/zinc/52/73/37/452527337.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000278937724 273273968 /nfs/dbraw/zinc/27/39/68/273273968.db2.gz FUHJKEPPPAFYDK-HNNXBMFYSA-N 1 3 327.432 1.478 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000178832553 274983307 /nfs/dbraw/zinc/98/33/07/274983307.db2.gz SPMGCFCKMXVWGZ-INIZCTEOSA-N 1 3 331.460 1.259 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC000449452582 276388472 /nfs/dbraw/zinc/38/84/72/276388472.db2.gz GIJJNSKZCBOKQW-ICSRJNTNSA-N 1 3 347.503 1.970 20 0 EDADHO COCCCN1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000417442008 277206610 /nfs/dbraw/zinc/20/66/10/277206610.db2.gz SDOPVQJSNAESAI-BHYGNILZSA-N 1 3 338.496 1.256 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1Cc1ccccc1 ZINC000417873900 278019977 /nfs/dbraw/zinc/01/99/77/278019977.db2.gz MJDRQRJNDTXFAG-OWYHZJEWSA-N 1 3 342.487 1.900 20 0 EDADHO CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)S(C)(=O)=O ZINC000316447822 279184935 /nfs/dbraw/zinc/18/49/35/279184935.db2.gz FWQSOKDBVBAPKU-HRCADAONSA-N 1 3 331.526 1.558 20 0 EDADHO CCN(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447822 279184938 /nfs/dbraw/zinc/18/49/38/279184938.db2.gz FWQSOKDBVBAPKU-HRCADAONSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@H](C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000357246518 279223006 /nfs/dbraw/zinc/22/30/06/279223006.db2.gz XSVKAEOOHUEYGM-LPHOPBHVSA-N 1 3 344.503 1.337 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCOC(C)(C)C1 ZINC000372065125 288194036 /nfs/dbraw/zinc/19/40/36/288194036.db2.gz NKEPPEGEWXLKLA-FGTMMUONSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCOC(C)(C)C1 ZINC000372065125 288194037 /nfs/dbraw/zinc/19/40/37/288194037.db2.gz NKEPPEGEWXLKLA-FGTMMUONSA-N 1 3 339.524 1.576 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287478783 288246465 /nfs/dbraw/zinc/24/64/65/288246465.db2.gz WSQKQDNCHZTKCK-DOTOQJQBSA-N 1 3 336.480 1.555 20 0 EDADHO COc1cc(CNC(=O)CC[C@@H]2CCC[NH2+]2)ccc1OCCN(C)C ZINC000291993852 289234636 /nfs/dbraw/zinc/23/46/36/289234636.db2.gz BMOYTPGQIYQZRD-INIZCTEOSA-N 1 3 349.475 1.784 20 0 EDADHO COc1ccc(/C=C\C(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000492272547 295054478 /nfs/dbraw/zinc/05/44/78/295054478.db2.gz NMWWYLPEITUACG-NTMALXAHSA-N 1 3 349.475 1.669 20 0 EDADHO NC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)Cc2ccccc2C1 ZINC000375068762 295204820 /nfs/dbraw/zinc/20/48/20/295204820.db2.gz FBHISKGWUZIEHQ-UHFFFAOYSA-N 1 3 325.387 1.906 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000416829047 295213362 /nfs/dbraw/zinc/21/33/62/295213362.db2.gz SVVXMRSGEXCSEF-RHSMWYFYSA-N 1 3 334.464 1.869 20 0 EDADHO [NH3+]C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000333941834 295213486 /nfs/dbraw/zinc/21/34/86/295213486.db2.gz PKGKYXFEBXTCSE-UHFFFAOYSA-N 1 3 326.510 1.481 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCN(C)CC1 ZINC000418195746 295579727 /nfs/dbraw/zinc/57/97/27/295579727.db2.gz GKRWQYAEKLQJIS-KBPBESRZSA-N 1 3 328.526 1.631 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C ZINC000419128795 304567844 /nfs/dbraw/zinc/56/78/44/304567844.db2.gz BYDKHOHMJQGVGY-HZPDHXFCSA-N 1 3 348.491 1.285 20 0 EDADHO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751264 447320598 /nfs/dbraw/zinc/32/05/98/447320598.db2.gz ABVQKBMBPGLPJU-MSOLQXFVSA-N 1 3 333.476 1.373 20 0 EDADHO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414751264 447320608 /nfs/dbraw/zinc/32/06/08/447320608.db2.gz ABVQKBMBPGLPJU-MSOLQXFVSA-N 1 3 333.476 1.373 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000414753249 447323002 /nfs/dbraw/zinc/32/30/02/447323002.db2.gz QATBMLWMPAZVQN-MRXNPFEDSA-N 1 3 334.464 1.437 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294057182 303056719 /nfs/dbraw/zinc/05/67/19/303056719.db2.gz XMECVZYSKPXOTJ-UHFFFAOYSA-N 1 3 334.464 1.333 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294057182 303056721 /nfs/dbraw/zinc/05/67/21/303056721.db2.gz XMECVZYSKPXOTJ-UHFFFAOYSA-N 1 3 334.464 1.333 20 0 EDADHO c1cc(N2CCC([NH2+]C[C@@H]3COC4(CCOCC4)O3)CC2)ccn1 ZINC000294285553 303087070 /nfs/dbraw/zinc/08/70/70/303087070.db2.gz TVLKMOFKFNUUEM-QGZVFWFLSA-N 1 3 333.432 1.562 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377738471 447328794 /nfs/dbraw/zinc/32/87/94/447328794.db2.gz PLLYKPVLLLXWJA-SFHVURJKSA-N 1 3 343.487 1.816 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000411631292 303901686 /nfs/dbraw/zinc/90/16/86/303901686.db2.gz MBSHMPITDCWSBR-CVEARBPZSA-N 1 3 325.497 1.770 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000377759076 447340735 /nfs/dbraw/zinc/34/07/35/447340735.db2.gz YLURBMZLZZAKQZ-ZWKOTPCHSA-N 1 3 342.487 1.510 20 0 EDADHO O=C(NCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960671 304881098 /nfs/dbraw/zinc/88/10/98/304881098.db2.gz XFKYALFEDQIHRN-FGTMMUONSA-N 1 3 349.450 1.692 20 0 EDADHO Cc1cc(S(=O)(=O)NCCN[C@@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000422996221 304882562 /nfs/dbraw/zinc/88/25/62/304882562.db2.gz LJKAWSOEWNOIGL-ZIAGYGMSSA-N 1 3 345.534 1.750 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423137904 304888293 /nfs/dbraw/zinc/88/82/93/304888293.db2.gz XGKPKXFEIRKCSN-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423313790 304892272 /nfs/dbraw/zinc/89/22/72/304892272.db2.gz UWCQNXAVOCCADG-GOSISDBHSA-N 1 3 341.459 1.799 20 0 EDADHO O[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCc2cccc(Br)c2C1 ZINC000423418305 304895151 /nfs/dbraw/zinc/89/51/51/304895151.db2.gz HRVYUMSARSDXMZ-SLEUVZQESA-N 1 3 325.250 1.476 20 0 EDADHO CN(C)CCN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C1CCCC1 ZINC000423709369 304905011 /nfs/dbraw/zinc/90/50/11/304905011.db2.gz IPFLIZHBGNLUCJ-INIZCTEOSA-N 1 3 333.480 1.754 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000423741073 304907262 /nfs/dbraw/zinc/90/72/62/304907262.db2.gz XTQQWWFHXKMPIP-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000426145949 304979550 /nfs/dbraw/zinc/97/95/50/304979550.db2.gz PLEMEJYWEFWUPZ-QZTJIDSGSA-N 1 3 338.540 1.735 20 0 EDADHO CN1CC[C@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023136 /nfs/dbraw/zinc/02/31/36/305023136.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 1 3 329.444 1.403 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023137 /nfs/dbraw/zinc/02/31/37/305023137.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 1 3 329.444 1.403 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037603 /nfs/dbraw/zinc/03/76/03/305037603.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 1 3 336.524 1.392 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037604 /nfs/dbraw/zinc/03/76/04/305037604.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 1 3 336.524 1.392 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@@H]2C[NH3+])CC1 ZINC000430589407 305057547 /nfs/dbraw/zinc/05/75/47/305057547.db2.gz AJGKARNKPIGVSF-LJQANCHMSA-N 1 3 344.503 1.452 20 0 EDADHO COCC[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000430771118 305064542 /nfs/dbraw/zinc/06/45/42/305064542.db2.gz BGNULFIIJCFPAO-UYAOXDASSA-N 1 3 345.487 1.783 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000430773073 305064600 /nfs/dbraw/zinc/06/46/00/305064600.db2.gz PYAUOYFXZVRCFH-GVDBMIGSSA-N 1 3 325.497 1.772 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H](N)c1ccccc1 ZINC000430894251 305067208 /nfs/dbraw/zinc/06/72/08/305067208.db2.gz LYNUEJUOOMYOOW-BHYGNILZSA-N 1 3 346.475 1.026 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](N)c1ccccc1 ZINC000430894251 305067209 /nfs/dbraw/zinc/06/72/09/305067209.db2.gz LYNUEJUOOMYOOW-BHYGNILZSA-N 1 3 346.475 1.026 20 0 EDADHO CC(C)(N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430915106 305067763 /nfs/dbraw/zinc/06/77/63/305067763.db2.gz OHSXKNZCMKEMMZ-UHFFFAOYSA-N 1 3 332.448 1.102 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015218 305072961 /nfs/dbraw/zinc/07/29/61/305072961.db2.gz SNALIUHFXQNBAL-ZWKOTPCHSA-N 1 3 338.540 1.818 20 0 EDADHO C[C@H](CNS(=O)(=O)c1ccc(CN(C)C)cc1)C[NH+]1CCCC1 ZINC000432851967 305096155 /nfs/dbraw/zinc/09/61/55/305096155.db2.gz DAOGTOPOFKQGCZ-OAHLLOKOSA-N 1 3 339.505 1.758 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCCO1 ZINC000433286093 305105020 /nfs/dbraw/zinc/10/50/20/305105020.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCO1 ZINC000433286093 305105021 /nfs/dbraw/zinc/10/50/21/305105021.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2(C)CC[NH+](C)CC2)CCCO1 ZINC000433452430 305109515 /nfs/dbraw/zinc/10/95/15/305109515.db2.gz GTKOUCDZUQNWOY-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000433472219 305110553 /nfs/dbraw/zinc/11/05/53/305110553.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000433472219 305110554 /nfs/dbraw/zinc/11/05/54/305110554.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO COc1cc(C)ccc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000449150893 305308107 /nfs/dbraw/zinc/30/81/07/305308107.db2.gz UMVYHZVKHBRRKP-UHFFFAOYSA-N 1 3 335.492 1.483 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)c1cccc(C[NH+]2CCCC2)c1 ZINC000452384747 305396090 /nfs/dbraw/zinc/39/60/90/305396090.db2.gz CDFJYCGVHPXVRO-IBGZPJMESA-N 1 3 345.487 1.859 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422128643 447363281 /nfs/dbraw/zinc/36/32/81/447363281.db2.gz YSJCQUUDBQOAPI-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO CC(C)Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc(=O)[nH]1 ZINC000538621708 306031107 /nfs/dbraw/zinc/03/11/07/306031107.db2.gz HYNATQJARRONGX-UHFFFAOYSA-N 1 3 336.480 1.551 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000543708864 306067300 /nfs/dbraw/zinc/06/73/00/306067300.db2.gz PAIDBVQQSJHFKL-CQSZACIVSA-N 1 3 328.501 1.467 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000557223540 306226795 /nfs/dbraw/zinc/22/67/95/306226795.db2.gz WBCPFHBJMHEDTE-SFHVURJKSA-N 1 3 347.463 1.312 20 0 EDADHO CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000414949518 447370748 /nfs/dbraw/zinc/37/07/48/447370748.db2.gz ZTLZLQUHEDMHDO-XEZPLFJOSA-N 1 3 332.448 1.490 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000414949228 447371042 /nfs/dbraw/zinc/37/10/42/447371042.db2.gz ZEVCAOFBQOGFLU-XJKSGUPXSA-N 1 3 332.448 1.189 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000458450736 447374620 /nfs/dbraw/zinc/37/46/20/447374620.db2.gz GJGQLVXBJOSGCM-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO N[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236408 453618390 /nfs/dbraw/zinc/61/83/90/453618390.db2.gz LZCUQVYRLIMKIN-GHMZBOCLSA-N 1 3 327.226 1.043 20 0 EDADHO CC[C@H]([NH3+])CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414980538 447382658 /nfs/dbraw/zinc/38/26/58/447382658.db2.gz AJRDMXHMJPXTSS-AWEZNQCLSA-N 1 3 325.478 1.475 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000493810463 447399817 /nfs/dbraw/zinc/39/98/17/447399817.db2.gz AFBTYMHLLIGJNN-OAGGEKHMSA-N 1 3 333.476 1.986 20 0 EDADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCC[C@H]1O ZINC000426218029 447400530 /nfs/dbraw/zinc/40/05/30/447400530.db2.gz CFBVNBNIIPFWSH-KZNAEPCWSA-N 1 3 333.476 1.641 20 0 EDADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCC[C@H]1O ZINC000426217935 447400726 /nfs/dbraw/zinc/40/07/26/447400726.db2.gz CFBVNBNIIPFWSH-FGTMMUONSA-N 1 3 333.476 1.641 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC[C@@H](C)C1 ZINC000419806238 447425269 /nfs/dbraw/zinc/42/52/69/447425269.db2.gz RCZDFCAKKYGEKU-CABCVRRESA-N 1 3 338.496 1.001 20 0 EDADHO Cc1noc2nc(C)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c12 ZINC000103210858 441177075 /nfs/dbraw/zinc/17/70/75/441177075.db2.gz HHBSAUDMJUNIPS-UHFFFAOYSA-N 1 3 333.436 1.405 20 0 EDADHO C[N@H+](CCNC(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000104806467 441213308 /nfs/dbraw/zinc/21/33/08/441213308.db2.gz SDWNMRHKKYLANG-UHFFFAOYSA-N 1 3 331.464 1.788 20 0 EDADHO C[N@@H+](CCNC(=O)N1CCN(c2ccncc2)CC1)C1CCCC1 ZINC000104806467 441213313 /nfs/dbraw/zinc/21/33/13/441213313.db2.gz SDWNMRHKKYLANG-UHFFFAOYSA-N 1 3 331.464 1.788 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000106458455 441345137 /nfs/dbraw/zinc/34/51/37/441345137.db2.gz AXIYYVALJPINKZ-IBGZPJMESA-N 1 3 346.519 1.636 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[NH+](C)C ZINC000106460390 441345197 /nfs/dbraw/zinc/34/51/97/441345197.db2.gz CKGGELXJRYERQE-SFHVURJKSA-N 1 3 332.492 1.959 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073728517 441346997 /nfs/dbraw/zinc/34/69/97/441346997.db2.gz LJHFDJDSJMLDHL-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000073728517 441347001 /nfs/dbraw/zinc/34/70/01/441347001.db2.gz LJHFDJDSJMLDHL-QGZVFWFLSA-N 1 3 337.508 1.822 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442591 /nfs/dbraw/zinc/44/25/91/441442591.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 1 3 325.497 1.866 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442596 /nfs/dbraw/zinc/44/25/96/441442596.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)NCC2(O)CCN(C)CC2)([NH+](C)C)C1 ZINC000077785664 441861385 /nfs/dbraw/zinc/86/13/85/441861385.db2.gz NFZKHHFYXCRCKV-DOTOQJQBSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000077755747 441848779 /nfs/dbraw/zinc/84/87/79/441848779.db2.gz HUNGNGGNFJYABN-AWEZNQCLSA-N 1 3 346.479 1.759 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)CC1 ZINC000118760715 441903056 /nfs/dbraw/zinc/90/30/56/441903056.db2.gz FTCDCMXYBFZNJX-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174291709 441910270 /nfs/dbraw/zinc/91/02/70/441910270.db2.gz GTKOKQZKHLRRSD-INIZCTEOSA-N 1 3 326.485 1.082 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188564 441900353 /nfs/dbraw/zinc/90/03/53/441900353.db2.gz DJOCBPLOAOVPIZ-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188564 441900356 /nfs/dbraw/zinc/90/03/56/441900356.db2.gz DJOCBPLOAOVPIZ-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCCF)c1 ZINC000120284661 442043467 /nfs/dbraw/zinc/04/34/67/442043467.db2.gz FFBBXQWDJSNTBG-UHFFFAOYSA-N 1 3 340.443 1.992 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000176081696 442173067 /nfs/dbraw/zinc/17/30/67/442173067.db2.gz IFFNHOPMPSVCAC-MRXNPFEDSA-N 1 3 346.475 1.405 20 0 EDADHO CN(C(=O)C[NH2+]CC1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000166554036 442216814 /nfs/dbraw/zinc/21/68/14/442216814.db2.gz MTOJNDORSVVBFO-UHFFFAOYSA-N 1 3 330.476 1.547 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176400733 442218416 /nfs/dbraw/zinc/21/84/16/442218416.db2.gz CYAZAEFCZDWUSK-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176400733 442218417 /nfs/dbraw/zinc/21/84/17/442218417.db2.gz CYAZAEFCZDWUSK-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CN(CCN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167702698 442222202 /nfs/dbraw/zinc/22/22/02/442222202.db2.gz DIUDBCSDZUINOJ-GOSISDBHSA-N 1 3 330.476 1.015 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1CCOC ZINC000176507659 442229540 /nfs/dbraw/zinc/22/95/40/442229540.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCCN1CCOC ZINC000176507659 442229544 /nfs/dbraw/zinc/22/95/44/442229544.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+](CCCOC)CC1)C1CC1 ZINC000171204731 442327363 /nfs/dbraw/zinc/32/73/63/442327363.db2.gz LCOISTZYDORVPF-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1 ZINC000177384255 442334538 /nfs/dbraw/zinc/33/45/38/442334538.db2.gz SQINCUMOHLZLBL-SFHVURJKSA-N 1 3 335.492 1.384 20 0 EDADHO COCCN(C)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177486832 442348773 /nfs/dbraw/zinc/34/87/73/442348773.db2.gz VDLWUWOLWQJLNK-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000154957624 442366758 /nfs/dbraw/zinc/36/67/58/442366758.db2.gz BPKRCMGUBHHEIL-KRWDZBQOSA-N 1 3 332.492 1.851 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000130762306 442355619 /nfs/dbraw/zinc/35/56/19/442355619.db2.gz VDYKEIBJUJKHDS-OAHLLOKOSA-N 1 3 344.459 1.450 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000155919597 442436599 /nfs/dbraw/zinc/43/65/99/442436599.db2.gz WXATWYOJDROJGL-CALCHBBNSA-N 1 3 340.508 1.739 20 0 EDADHO COC1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831770 442497566 /nfs/dbraw/zinc/49/75/66/442497566.db2.gz XXEGTPUXQSYWQA-DOTOQJQBSA-N 1 3 331.460 1.534 20 0 EDADHO CCc1ccccc1NC(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178977936 442543068 /nfs/dbraw/zinc/54/30/68/442543068.db2.gz FAYNBRPIFQPVOR-UHFFFAOYSA-N 1 3 344.503 1.805 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)CCN1C ZINC000179293488 442614493 /nfs/dbraw/zinc/61/44/93/442614493.db2.gz SFJZWIHWVVBYGK-NVXWUHKLSA-N 1 3 339.528 1.137 20 0 EDADHO C[NH+]1CCC(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000192231756 442619071 /nfs/dbraw/zinc/61/90/71/442619071.db2.gz NHXCVABFAJZGNL-LJQANCHMSA-N 1 3 345.487 1.736 20 0 EDADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000187234493 442662289 /nfs/dbraw/zinc/66/22/89/442662289.db2.gz FDDCAKVPFYDECO-KRWDZBQOSA-N 1 3 336.480 1.211 20 0 EDADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000187234493 442662290 /nfs/dbraw/zinc/66/22/90/442662290.db2.gz FDDCAKVPFYDECO-KRWDZBQOSA-N 1 3 336.480 1.211 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCCC2CC[NH+](CC)CC2)C1(C)C ZINC000188202337 442724094 /nfs/dbraw/zinc/72/40/94/442724094.db2.gz TUNNCUMQBJJTGF-YJBOKZPZSA-N 1 3 325.497 1.757 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000188232193 442727097 /nfs/dbraw/zinc/72/70/97/442727097.db2.gz FAVKPYUSWUYAAH-UHFFFAOYSA-N 1 3 346.475 1.629 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000188403791 442746567 /nfs/dbraw/zinc/74/65/67/442746567.db2.gz XMQDYZQRPGGTAC-MRXNPFEDSA-N 1 3 328.501 1.518 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)c1cccc(OC)c1 ZINC000188701991 442792454 /nfs/dbraw/zinc/79/24/54/442792454.db2.gz UFCCVXJLNQVAEZ-UAGQMJEPSA-N 1 3 337.439 1.894 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@@H](C)O1 ZINC000188746986 442802821 /nfs/dbraw/zinc/80/28/21/442802821.db2.gz NTSGPSUWNMQOSG-LUYZLQTOSA-N 1 3 327.444 1.034 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH]nc2c1CNCC2 ZINC000188775286 442810229 /nfs/dbraw/zinc/81/02/29/442810229.db2.gz IXPNESGUYJRGQU-OAHLLOKOSA-N 1 3 339.443 1.450 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1[nH]nc2c1CNCC2 ZINC000188775286 442810231 /nfs/dbraw/zinc/81/02/31/442810231.db2.gz IXPNESGUYJRGQU-OAHLLOKOSA-N 1 3 339.443 1.450 20 0 EDADHO C[C@@H](CNC(=O)c1sccc1CN(C)C)C[NH+]1CCN(C)CC1 ZINC000268027546 442823084 /nfs/dbraw/zinc/82/30/84/442823084.db2.gz LEMBAYOFBPBFMZ-AWEZNQCLSA-N 1 3 338.521 1.423 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1N(C)C ZINC000268255863 442920651 /nfs/dbraw/zinc/92/06/51/442920651.db2.gz HUFUXCVNDMPRSD-WMLDXEAASA-N 1 3 346.475 1.138 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCOCC3)CC2)CC1 ZINC000183559320 442941516 /nfs/dbraw/zinc/94/15/16/442941516.db2.gz WVODQGXRZKIINT-HNNXBMFYSA-N 1 3 338.496 1.413 20 0 EDADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc2c1OCO2 ZINC000268429220 442986078 /nfs/dbraw/zinc/98/60/78/442986078.db2.gz OLDWNWUHDQHTIG-UHFFFAOYSA-N 1 3 336.432 1.749 20 0 EDADHO C[C@H](NC[C@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904173 443142624 /nfs/dbraw/zinc/14/26/24/443142624.db2.gz PLZZGANXHZKLAD-KSSFIOAISA-N 1 3 332.448 1.745 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000268904173 443142627 /nfs/dbraw/zinc/14/26/27/443142627.db2.gz PLZZGANXHZKLAD-KSSFIOAISA-N 1 3 332.448 1.745 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298568017 318826647 /nfs/dbraw/zinc/82/66/47/318826647.db2.gz WTONDBDJCIAZPS-GOSISDBHSA-N 1 3 345.535 1.914 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000268825412 443120006 /nfs/dbraw/zinc/12/00/06/443120006.db2.gz ITCMOOQMXFDPJK-RLLQIKCJSA-N 1 3 331.504 1.943 20 0 EDADHO O=C(C[NH2+]C1CC1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000238163409 443196418 /nfs/dbraw/zinc/19/64/18/443196418.db2.gz ZQLKJCWXLDKDAE-UHFFFAOYSA-N 1 3 330.476 1.063 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185274366 443174656 /nfs/dbraw/zinc/17/46/56/443174656.db2.gz TZCMFNSBQPJNCI-KEYYUXOJSA-N 1 3 336.455 1.876 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)(N2CCOCC2)CC1 ZINC000414204709 319319658 /nfs/dbraw/zinc/31/96/58/319319658.db2.gz WOXXGFRDAZKBTD-BBWFWOEESA-N 1 3 337.508 1.186 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000414660507 319338028 /nfs/dbraw/zinc/33/80/28/319338028.db2.gz OICVZWGWJFUXNQ-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000414777488 319344144 /nfs/dbraw/zinc/34/41/44/319344144.db2.gz DFOYMSYGYQULAO-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO COc1cccc(C[C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992642 319344179 /nfs/dbraw/zinc/34/41/79/319344179.db2.gz TYOGAFLVJXJXHQ-OCCSQVGLSA-N 1 3 346.397 1.447 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415243965 319356439 /nfs/dbraw/zinc/35/64/39/319356439.db2.gz WTKSZLTWPJGNNI-CYBMUJFWSA-N 1 3 332.448 1.465 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415243965 319356442 /nfs/dbraw/zinc/35/64/42/319356442.db2.gz WTKSZLTWPJGNNI-CYBMUJFWSA-N 1 3 332.448 1.465 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938198 319383755 /nfs/dbraw/zinc/38/37/55/319383755.db2.gz OGRVUWUFVGIPHI-OAHLLOKOSA-N 1 3 336.436 1.256 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417368545 319494724 /nfs/dbraw/zinc/49/47/24/319494724.db2.gz RDPJMYKPUZNBLS-WBVHZDCISA-N 1 3 348.491 1.896 20 0 EDADHO CN1CCC(CNC(=O)c2cnccc2N)([NH+]2CCCCC2)CC1 ZINC000444272047 320124047 /nfs/dbraw/zinc/12/40/47/320124047.db2.gz VZOINGXLGPEIIW-UHFFFAOYSA-N 1 3 331.464 1.174 20 0 EDADHO C[NH+]1CCC(CNC(=O)c2cnccc2N)(N2CCCCC2)CC1 ZINC000444272047 320124049 /nfs/dbraw/zinc/12/40/49/320124049.db2.gz VZOINGXLGPEIIW-UHFFFAOYSA-N 1 3 331.464 1.174 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063320 320431036 /nfs/dbraw/zinc/43/10/36/320431036.db2.gz RZANZHHWXLDHPB-DLBZAZTESA-N 1 3 336.524 1.392 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn2cccnc2n1 ZINC000298170566 443711086 /nfs/dbraw/zinc/71/10/86/443711086.db2.gz UGMISTNTGPSLOK-QGZVFWFLSA-N 1 3 330.480 1.577 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn2cccnc2n1 ZINC000298170566 443711092 /nfs/dbraw/zinc/71/10/92/443711092.db2.gz UGMISTNTGPSLOK-QGZVFWFLSA-N 1 3 330.480 1.577 20 0 EDADHO Cc1ccc(OCCNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525420168 320490613 /nfs/dbraw/zinc/49/06/13/320490613.db2.gz MHTXMWFPIONQLD-UHFFFAOYSA-N 1 3 336.480 1.509 20 0 EDADHO CN1CC[NH+](CCCNCc2ncc(Br)cc2F)CC1 ZINC000527632045 320520798 /nfs/dbraw/zinc/52/07/98/320520798.db2.gz MAVLAWZYVVCGKD-UHFFFAOYSA-N 1 3 345.260 1.710 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000293168327 443941489 /nfs/dbraw/zinc/94/14/89/443941489.db2.gz RUVSIEFYMFZEPN-ROUUACIJSA-N 1 3 336.476 1.499 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000293168327 443941492 /nfs/dbraw/zinc/94/14/92/443941492.db2.gz RUVSIEFYMFZEPN-ROUUACIJSA-N 1 3 336.476 1.499 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000288594400 443929361 /nfs/dbraw/zinc/92/93/61/443929361.db2.gz TUZQUHRDPKZNNJ-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299316515 444016412 /nfs/dbraw/zinc/01/64/12/444016412.db2.gz WUKKXDVDFGEVIQ-SJORKVTESA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299316515 444016418 /nfs/dbraw/zinc/01/64/18/444016418.db2.gz WUKKXDVDFGEVIQ-SJORKVTESA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000555198170 320964356 /nfs/dbraw/zinc/96/43/56/320964356.db2.gz MSIDNWMMFIHDNV-UHFFFAOYSA-N 1 3 326.407 1.710 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000561145257 321035051 /nfs/dbraw/zinc/03/50/51/321035051.db2.gz CUJYTLXWFUMCMM-QZTJIDSGSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000561196257 321036108 /nfs/dbraw/zinc/03/61/08/321036108.db2.gz PTGFLWFKEUVTHN-OIISXLGYSA-N 1 3 330.476 1.977 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000561428182 321041018 /nfs/dbraw/zinc/04/10/18/321041018.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000561428182 321041019 /nfs/dbraw/zinc/04/10/19/321041019.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000562995032 321086853 /nfs/dbraw/zinc/08/68/53/321086853.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000562995032 321086854 /nfs/dbraw/zinc/08/68/54/321086854.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 1 3 346.519 1.242 20 0 EDADHO C[C@@H](CN1CCN(c2ccccc2)CC1)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562995032 321086855 /nfs/dbraw/zinc/08/68/55/321086855.db2.gz GXXSBTILVVQVDM-FXAWDEMLSA-N 1 3 346.519 1.242 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000563384492 321107397 /nfs/dbraw/zinc/10/73/97/321107397.db2.gz MSICLNREFGCEAS-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000567647029 321250367 /nfs/dbraw/zinc/25/03/67/321250367.db2.gz LWLROALLXWNKRT-RRFJBIMHSA-N 1 3 334.464 1.361 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000299635012 444101338 /nfs/dbraw/zinc/10/13/38/444101338.db2.gz UOQGKTKZJUVGCA-QGZVFWFLSA-N 1 3 337.439 1.249 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000571103921 321371983 /nfs/dbraw/zinc/37/19/83/321371983.db2.gz LQVRAKTXADNSTD-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO CC(C)CN1CCC[C@@H]1C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000571670999 321396289 /nfs/dbraw/zinc/39/62/89/321396289.db2.gz NIBQMIWYMBPFAU-FJIDUMEYSA-N 1 3 327.513 1.167 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C(=O)NC)cc1 ZINC000289424384 444139247 /nfs/dbraw/zinc/13/92/47/444139247.db2.gz JPDFKFSCKIQGPC-IBGZPJMESA-N 1 3 346.519 1.894 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C(=O)NC)cc1 ZINC000289424384 444139250 /nfs/dbraw/zinc/13/92/50/444139250.db2.gz JPDFKFSCKIQGPC-IBGZPJMESA-N 1 3 346.519 1.894 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)CCC(=O)OC ZINC000290139666 444247512 /nfs/dbraw/zinc/24/75/12/444247512.db2.gz ZYSRZEVSBBEZMF-INIZCTEOSA-N 1 3 335.448 1.425 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731161 444289880 /nfs/dbraw/zinc/28/98/80/444289880.db2.gz PDJOTNMFTHDGEU-IRXDYDNUSA-N 1 3 333.501 1.720 20 0 EDADHO O=C(C[C@H]1CSCCN1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309731161 444289883 /nfs/dbraw/zinc/28/98/83/444289883.db2.gz PDJOTNMFTHDGEU-IRXDYDNUSA-N 1 3 333.501 1.720 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000578011135 321708039 /nfs/dbraw/zinc/70/80/39/321708039.db2.gz SXLRTQYPEGYOSM-HUUCEWRRSA-N 1 3 348.491 1.568 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCCC1 ZINC000340311038 444377961 /nfs/dbraw/zinc/37/79/61/444377961.db2.gz ZNMDPXPZMVUKBK-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCCC1 ZINC000340311038 444377964 /nfs/dbraw/zinc/37/79/64/444377964.db2.gz ZNMDPXPZMVUKBK-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO CSC1(CNCc2cnc(-c3cnn(C)c3)nc2)CC[NH+](C)CC1 ZINC000579059122 321874801 /nfs/dbraw/zinc/87/48/01/321874801.db2.gz LGPFALWNDQEMED-UHFFFAOYSA-N 1 3 346.504 1.794 20 0 EDADHO CN(CCC[NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000580052828 322001979 /nfs/dbraw/zinc/00/19/79/322001979.db2.gz VDOBFOOQSFRBLU-UHFFFAOYSA-N 1 3 347.507 1.579 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000581365030 322168993 /nfs/dbraw/zinc/16/89/93/322168993.db2.gz AGLMEDBVWDJFKL-IAGOWNOFSA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COC2CCOCC2)C1 ZINC000581365030 322168995 /nfs/dbraw/zinc/16/89/95/322168995.db2.gz AGLMEDBVWDJFKL-IAGOWNOFSA-N 1 3 328.497 1.501 20 0 EDADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000581365030 322168997 /nfs/dbraw/zinc/16/89/97/322168997.db2.gz AGLMEDBVWDJFKL-IAGOWNOFSA-N 1 3 328.497 1.501 20 0 EDADHO Cc1nc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000581757215 322216778 /nfs/dbraw/zinc/21/67/78/322216778.db2.gz WWWSTFKCVKGVAM-UHFFFAOYSA-N 1 3 327.498 1.129 20 0 EDADHO CN(C)CCn1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1 ZINC000581952317 322237942 /nfs/dbraw/zinc/23/79/42/322237942.db2.gz GXAMJPXKBHRTNQ-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343767721 444577421 /nfs/dbraw/zinc/57/74/21/444577421.db2.gz NIPJPYOXKQICOJ-WZYMTQMTSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCCN1C ZINC000343713844 444539394 /nfs/dbraw/zinc/53/93/94/444539394.db2.gz NSTWKXJREAUNKU-WBVHZDCISA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CCN(C)CC1 ZINC000343885508 444646791 /nfs/dbraw/zinc/64/67/91/444646791.db2.gz HCKAXDKCGIOHBC-MAUKXSAKSA-N 1 3 342.491 1.426 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)CC[C@H]1N1CCN(C)CC1 ZINC000343885508 444646792 /nfs/dbraw/zinc/64/67/92/444646792.db2.gz HCKAXDKCGIOHBC-MAUKXSAKSA-N 1 3 342.491 1.426 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000341154190 444698638 /nfs/dbraw/zinc/69/86/38/444698638.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000341154190 444698642 /nfs/dbraw/zinc/69/86/42/444698642.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823068 444701355 /nfs/dbraw/zinc/70/13/55/444701355.db2.gz HZYMNXCCSPPIPG-PMPSAXMXSA-N 1 3 329.510 1.122 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333897328 444712253 /nfs/dbraw/zinc/71/22/53/444712253.db2.gz AZDBPGAOMHKGKR-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000341188709 444718369 /nfs/dbraw/zinc/71/83/69/444718369.db2.gz YCMUGFDGFXXRGE-AEFFLSMTSA-N 1 3 348.491 1.143 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000342721680 444834245 /nfs/dbraw/zinc/83/42/45/444834245.db2.gz AHUQJMZWEKUYBH-XLMAVXFVSA-N 1 3 337.508 1.722 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000342765442 444856218 /nfs/dbraw/zinc/85/62/18/444856218.db2.gz OJXREYWWHSFMHH-OAHLLOKOSA-N 1 3 325.453 1.038 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CC[NH2+]C1 ZINC000342712857 444829110 /nfs/dbraw/zinc/82/91/10/444829110.db2.gz AQEABHKUHFSGPU-QGZVFWFLSA-N 1 3 330.476 1.315 20 0 EDADHO Cn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1=O ZINC000339105588 445035599 /nfs/dbraw/zinc/03/55/99/445035599.db2.gz BAECIBWHAQQGPL-UHFFFAOYSA-N 1 3 347.463 1.065 20 0 EDADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCO[C@H]1C ZINC000337380143 445056558 /nfs/dbraw/zinc/05/65/58/445056558.db2.gz YEZPWPYLUVWSJV-ROUUACIJSA-N 1 3 327.513 1.528 20 0 EDADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCO[C@H]1C ZINC000337380143 445056559 /nfs/dbraw/zinc/05/65/59/445056559.db2.gz YEZPWPYLUVWSJV-ROUUACIJSA-N 1 3 327.513 1.528 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000339199770 445085573 /nfs/dbraw/zinc/08/55/73/445085573.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 1 3 349.519 1.964 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339199770 445085575 /nfs/dbraw/zinc/08/55/75/445085575.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 1 3 349.519 1.964 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000337340278 445039643 /nfs/dbraw/zinc/03/96/43/445039643.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000337340278 445039644 /nfs/dbraw/zinc/03/96/44/445039644.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO COC(=O)CC1([NH2+]CCCN2CCN(C(C)C)CC2)CCCC1 ZINC000337484610 445100704 /nfs/dbraw/zinc/10/07/04/445100704.db2.gz XUYBKCVENRXPNB-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000330742922 445122453 /nfs/dbraw/zinc/12/24/53/445122453.db2.gz TTZAXMDWYOWQEH-UHFFFAOYSA-N 1 3 325.497 1.460 20 0 EDADHO CCc1nccn1[C@@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553950 445435930 /nfs/dbraw/zinc/43/59/30/445435930.db2.gz QXHCMAWPTLPPLP-ZIAGYGMSSA-N 1 3 342.447 1.723 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)CC2CCCCC2)CC1 ZINC000362596547 445456201 /nfs/dbraw/zinc/45/62/01/445456201.db2.gz OGCICTPJNAXJCS-UHFFFAOYSA-N 1 3 339.524 1.850 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357240037 445500784 /nfs/dbraw/zinc/50/07/84/445500784.db2.gz LCKNUTNDVLVJLB-PKOBYXMFSA-N 1 3 336.524 1.300 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870511 445590191 /nfs/dbraw/zinc/59/01/91/445590191.db2.gz DPGWEVLDJLGUKX-RTBURBONSA-N 1 3 343.471 1.875 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H](C)COC ZINC000360157690 445601159 /nfs/dbraw/zinc/60/11/59/445601159.db2.gz VUBCHIOWSZNABM-GVDBMIGSSA-N 1 3 327.513 1.780 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)[C@@H](C)COC ZINC000360157690 445601164 /nfs/dbraw/zinc/60/11/64/445601164.db2.gz VUBCHIOWSZNABM-GVDBMIGSSA-N 1 3 327.513 1.780 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC[NH+](C)CC1 ZINC000357943117 445595223 /nfs/dbraw/zinc/59/52/23/445595223.db2.gz SIBQNPXNYBCXPZ-KBPBESRZSA-N 1 3 328.526 1.596 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000349808140 445685324 /nfs/dbraw/zinc/68/53/24/445685324.db2.gz PWXFGWXWWQWZSA-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCNc2ccncc2)C1 ZINC000356226720 445686186 /nfs/dbraw/zinc/68/61/86/445686186.db2.gz UXMUXGPPAXYOPP-HZPDHXFCSA-N 1 3 333.480 1.583 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)CC(C)C ZINC000358658443 445697621 /nfs/dbraw/zinc/69/76/21/445697621.db2.gz DZIAEKHVNSJGNZ-WBVHZDCISA-N 1 3 328.501 1.109 20 0 EDADHO NC1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000353669544 445700343 /nfs/dbraw/zinc/70/03/43/445700343.db2.gz UZVUMFMWXDDQOQ-UHFFFAOYSA-N 1 3 330.432 1.931 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000356290087 445720482 /nfs/dbraw/zinc/72/04/82/445720482.db2.gz XJJFNNIJHKAHOH-IBGZPJMESA-N 1 3 349.519 1.966 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000356290087 445720486 /nfs/dbraw/zinc/72/04/86/445720486.db2.gz XJJFNNIJHKAHOH-IBGZPJMESA-N 1 3 349.519 1.966 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000349932496 445724622 /nfs/dbraw/zinc/72/46/22/445724622.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000349932496 445724623 /nfs/dbraw/zinc/72/46/23/445724623.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)N(C)C1CC1 ZINC000356328209 445736863 /nfs/dbraw/zinc/73/68/63/445736863.db2.gz DRJGKFYYCDWUPO-HNNXBMFYSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000358722427 445742492 /nfs/dbraw/zinc/74/24/92/445742492.db2.gz ODLUVBQVMGVOJD-LPHOPBHVSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@@]1(O)CCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000358722427 445742495 /nfs/dbraw/zinc/74/24/95/445742495.db2.gz ODLUVBQVMGVOJD-LPHOPBHVSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CCN(C)C1)c1ccccc1 ZINC000358723026 445743009 /nfs/dbraw/zinc/74/30/09/445743009.db2.gz OXXVUZFVVCKMQG-HNAYVOBHSA-N 1 3 348.491 1.482 20 0 EDADHO C[C@@H]1C[C@H](NCCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828185 445796838 /nfs/dbraw/zinc/79/68/38/445796838.db2.gz SGYWYEZTUNKGNY-SJLPKXTDSA-N 1 3 325.460 2.531 20 0 EDADHO C[C@@H]1C[C@H](NCCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828185 445796841 /nfs/dbraw/zinc/79/68/41/445796841.db2.gz SGYWYEZTUNKGNY-SJLPKXTDSA-N 1 3 325.460 2.531 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361626394 445854874 /nfs/dbraw/zinc/85/48/74/445854874.db2.gz XPCHXSRAXRVCCI-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000583261390 326037394 /nfs/dbraw/zinc/03/73/94/326037394.db2.gz YQFACVWXMFSXDU-HOTGVXAUSA-N 1 3 346.479 1.121 20 0 EDADHO C[C@@]1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321183 326049985 /nfs/dbraw/zinc/04/99/85/326049985.db2.gz PJVGGALQVVEAFO-PKOBYXMFSA-N 1 3 330.476 1.800 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CCCOC1 ZINC000356836145 446057749 /nfs/dbraw/zinc/05/77/49/446057749.db2.gz HBWPEIJPTBZGPQ-MSOLQXFVSA-N 1 3 332.492 1.998 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1NCCc2ccccc21)C[NH+]1CCCC1 ZINC000583920947 326165317 /nfs/dbraw/zinc/16/53/17/326165317.db2.gz WVPGVCWOGZVSSG-CRAIPNDOSA-N 1 3 330.476 1.905 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC[C@H](C)O)CC2)CC1 ZINC000584003803 326182851 /nfs/dbraw/zinc/18/28/51/326182851.db2.gz QIVIUTNGRFJOKA-HNNXBMFYSA-N 1 3 325.497 1.460 20 0 EDADHO CN(C[C@H](O)C[NH2+]Cc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108117 326200457 /nfs/dbraw/zinc/20/04/57/326200457.db2.gz NFAHMKXCBPGHCR-LJQANCHMSA-N 1 3 333.476 1.064 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359241640 446073926 /nfs/dbraw/zinc/07/39/26/446073926.db2.gz PLPFYOKDNFPGSX-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)n1 ZINC000356874457 446086069 /nfs/dbraw/zinc/08/60/69/446086069.db2.gz QGXNZCRGWPIHEK-FGTMMUONSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000356874457 446086078 /nfs/dbraw/zinc/08/60/78/446086078.db2.gz QGXNZCRGWPIHEK-FGTMMUONSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000356874457 446086087 /nfs/dbraw/zinc/08/60/87/446086087.db2.gz QGXNZCRGWPIHEK-FGTMMUONSA-N 1 3 325.460 1.858 20 0 EDADHO CCN(CC)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351519341 446121916 /nfs/dbraw/zinc/12/19/16/446121916.db2.gz FJWSEHFJZHVQCL-IAGOWNOFSA-N 1 3 346.475 1.054 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359356054 446169981 /nfs/dbraw/zinc/16/99/81/446169981.db2.gz YWMSJSBNEBUDCW-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359356054 446169982 /nfs/dbraw/zinc/16/99/82/446169982.db2.gz YWMSJSBNEBUDCW-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365413289 446195442 /nfs/dbraw/zinc/19/54/42/446195442.db2.gz XJSSGMOCSLKLMF-CGZBRXJRSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CN1C1CC1 ZINC000370323246 446229877 /nfs/dbraw/zinc/22/98/77/446229877.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 1 3 349.523 1.033 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CN1C1CC1 ZINC000370323246 446229880 /nfs/dbraw/zinc/22/98/80/446229880.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 1 3 349.523 1.033 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558991 446254464 /nfs/dbraw/zinc/25/44/64/446254464.db2.gz UQEOVJJYIRRLEJ-DZGCQCFKSA-N 1 3 340.431 1.743 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558991 446254467 /nfs/dbraw/zinc/25/44/67/446254467.db2.gz UQEOVJJYIRRLEJ-DZGCQCFKSA-N 1 3 340.431 1.743 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN1CCOCC1 ZINC000362197877 446257700 /nfs/dbraw/zinc/25/77/00/446257700.db2.gz DKUCUTGRPZGHIN-QRVBRYPASA-N 1 3 339.524 1.578 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000365717003 446312816 /nfs/dbraw/zinc/31/28/16/446312816.db2.gz NKILVWSWJZFSCQ-PBHICJAKSA-N 1 3 338.496 1.005 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000362313761 446315948 /nfs/dbraw/zinc/31/59/48/446315948.db2.gz DQZYBGKLUIJMIQ-KRWDZBQOSA-N 1 3 333.476 1.786 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000376145366 446354499 /nfs/dbraw/zinc/35/44/99/446354499.db2.gz AOWKQQLRNVLJRZ-LJQANCHMSA-N 1 3 345.487 1.785 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000417545980 446363824 /nfs/dbraw/zinc/36/38/24/446363824.db2.gz LAWUSJGGVHWPBS-UHFFFAOYSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417541805 446363951 /nfs/dbraw/zinc/36/39/51/446363951.db2.gz YYAMCKXAAAWMFK-IYBDPMFKSA-N 1 3 340.512 1.789 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccccc1 ZINC000370670541 446379944 /nfs/dbraw/zinc/37/99/44/446379944.db2.gz DLYNXHLHPIJEAI-UMGGQSCQSA-N 1 3 348.487 1.905 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](O)COc1ccccc1 ZINC000370670541 446379950 /nfs/dbraw/zinc/37/99/50/446379950.db2.gz DLYNXHLHPIJEAI-UMGGQSCQSA-N 1 3 348.487 1.905 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417955385 446398475 /nfs/dbraw/zinc/39/84/75/446398475.db2.gz RNTBFECMOYUZTN-GDBMZVCRSA-N 1 3 349.479 1.433 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423124186 446430804 /nfs/dbraw/zinc/43/08/04/446430804.db2.gz MFUXFTVSLIPJJA-RBUKOAKNSA-N 1 3 348.491 1.269 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccco1 ZINC000418158779 446444217 /nfs/dbraw/zinc/44/42/17/446444217.db2.gz BMZIGDXVQGNDMZ-QJPTWQEYSA-N 1 3 332.395 1.991 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000418172104 446445725 /nfs/dbraw/zinc/44/57/25/446445725.db2.gz OZTGRDAEXIHSSB-OAHLLOKOSA-N 1 3 347.507 1.532 20 0 EDADHO C[C@H](NC[C@@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168688 446446671 /nfs/dbraw/zinc/44/66/71/446446671.db2.gz HVRWIIRMEJBAQK-JQWIXIFHSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)C1CNC1 ZINC000423168688 446446676 /nfs/dbraw/zinc/44/66/76/446446676.db2.gz HVRWIIRMEJBAQK-JQWIXIFHSA-N 1 3 345.256 1.937 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N(C)C)cc1 ZINC000418207208 446457450 /nfs/dbraw/zinc/45/74/50/446457450.db2.gz PCUYBRIPJAKSRD-XWTMOSNGSA-N 1 3 346.475 1.594 20 0 EDADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCCCC1 ZINC000418282912 446482616 /nfs/dbraw/zinc/48/26/16/446482616.db2.gz IPCAPBWROBOFNV-OAHLLOKOSA-N 1 3 326.485 1.184 20 0 EDADHO C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423329009 446488964 /nfs/dbraw/zinc/48/89/64/446488964.db2.gz MOXZKQBPKJSGGD-OAGGEKHMSA-N 1 3 347.507 1.737 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC2CC[NH2+]CC2)c1 ZINC000418313747 446495749 /nfs/dbraw/zinc/49/57/49/446495749.db2.gz WEKMBOVKWHTEOZ-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423367997 446503248 /nfs/dbraw/zinc/50/32/48/446503248.db2.gz RUCLYYQOECGNNS-CQSZACIVSA-N 1 3 336.484 1.257 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc2c(c1)CNC2 ZINC000418335054 446505904 /nfs/dbraw/zinc/50/59/04/446505904.db2.gz YQMBVZOAPZNSNB-UHFFFAOYSA-N 1 3 339.443 1.664 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H](C)[NH3+] ZINC000423373989 446506818 /nfs/dbraw/zinc/50/68/18/446506818.db2.gz CAWVLBFDNHEBQV-YOEHRIQHSA-N 1 3 348.491 1.214 20 0 EDADHO Cc1cccc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338233 446507146 /nfs/dbraw/zinc/50/71/46/446507146.db2.gz XOGMDRRJWXDKKE-HZPDHXFCSA-N 1 3 326.444 1.824 20 0 EDADHO CC(C)[C@@H](C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H](C)[NH3+] ZINC000423378855 446510059 /nfs/dbraw/zinc/51/00/59/446510059.db2.gz LEAGSAMZGPLZBH-CRAIPNDOSA-N 1 3 335.492 1.905 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[NH2+][C@@H](C)C1 ZINC000420343205 446515558 /nfs/dbraw/zinc/51/55/58/446515558.db2.gz YKIDPSCESKRKLL-DLBZAZTESA-N 1 3 344.503 1.449 20 0 EDADHO CCOc1ccc(CN(C)C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420330450 446498415 /nfs/dbraw/zinc/49/84/15/446498415.db2.gz ICCSAUNEQARRDT-HDICACEKSA-N 1 3 345.487 1.975 20 0 EDADHO CCc1nccn1[C@H]1CCCN(C(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433144046 446537781 /nfs/dbraw/zinc/53/77/81/446537781.db2.gz AYAPECNWMMJMGW-KRWDZBQOSA-N 1 3 347.507 1.812 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)c3ccccc3OCC[NH+](C)C)C[C@H]21 ZINC000375048957 446542724 /nfs/dbraw/zinc/54/27/24/446542724.db2.gz KVXCEASNQWDBMO-NVXWUHKLSA-N 1 3 331.460 1.793 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@]2(C)CCCO)CC1 ZINC000411443301 446547478 /nfs/dbraw/zinc/54/74/78/446547478.db2.gz RJEGDCYSOQNUMU-SFHVURJKSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418507792 446572124 /nfs/dbraw/zinc/57/21/24/446572124.db2.gz JPXUYVIRUOSPJY-HZPDHXFCSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1Cc1ccccc1 ZINC000418668822 446641989 /nfs/dbraw/zinc/64/19/89/446641989.db2.gz ITUGLHQQDISPBT-BGTYHANMSA-N 1 3 328.460 1.510 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453762629 446643489 /nfs/dbraw/zinc/64/34/89/446643489.db2.gz WTICKGNWULYLFV-BLLLJJGKSA-N 1 3 332.448 1.240 20 0 EDADHO CN(C(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418745104 446666058 /nfs/dbraw/zinc/66/60/58/446666058.db2.gz VFWHKBMCTKRXID-CABCVRRESA-N 1 3 340.418 1.885 20 0 EDADHO CN(C)C/C=C/C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371095531 446626905 /nfs/dbraw/zinc/62/69/05/446626905.db2.gz WESGPIWFVDAFPP-SNAWJCMRSA-N 1 3 336.524 1.417 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418645001 446630381 /nfs/dbraw/zinc/63/03/81/446630381.db2.gz VQKMGNVHNREPME-SJLPKXTDSA-N 1 3 330.476 1.999 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418645001 446630386 /nfs/dbraw/zinc/63/03/86/446630386.db2.gz VQKMGNVHNREPME-SJLPKXTDSA-N 1 3 330.476 1.999 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423770332 446696565 /nfs/dbraw/zinc/69/65/65/446696565.db2.gz DCEJJLZURHPXGN-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423772147 446698036 /nfs/dbraw/zinc/69/80/36/446698036.db2.gz KMURAZVKNVBJLF-JTOWHCCKSA-N 1 3 325.497 1.756 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423772147 446698040 /nfs/dbraw/zinc/69/80/40/446698040.db2.gz KMURAZVKNVBJLF-JTOWHCCKSA-N 1 3 325.497 1.756 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423836689 446725206 /nfs/dbraw/zinc/72/52/06/446725206.db2.gz AKQNAHHMSKBMRY-QRVBRYPASA-N 1 3 345.487 1.782 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846365 446728771 /nfs/dbraw/zinc/72/87/71/446728771.db2.gz PBNHSZYVLOHDIW-QFBILLFUSA-N 1 3 333.476 1.639 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423965226 446799860 /nfs/dbraw/zinc/79/98/60/446799860.db2.gz XYVAXWBWJHZYKL-KRWDZBQOSA-N 1 3 332.492 1.932 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285699 446743098 /nfs/dbraw/zinc/74/30/98/446743098.db2.gz VQBXTVSAWXCLDM-OKZBNKHCSA-N 1 3 325.497 1.188 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285699 446743104 /nfs/dbraw/zinc/74/31/04/446743104.db2.gz VQBXTVSAWXCLDM-OKZBNKHCSA-N 1 3 325.497 1.188 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418938453 446811292 /nfs/dbraw/zinc/81/12/92/446811292.db2.gz DUTXGTKCFFOFOH-OAHLLOKOSA-N 1 3 348.491 1.257 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000371421256 446843786 /nfs/dbraw/zinc/84/37/86/446843786.db2.gz PDULEMHTKPLJGF-KRWDZBQOSA-N 1 3 345.487 1.943 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCCN(C)C1 ZINC000412143481 446878499 /nfs/dbraw/zinc/87/84/99/446878499.db2.gz ZLKIZUVIOLSYQQ-HZPDHXFCSA-N 1 3 325.522 1.757 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188275 446890134 /nfs/dbraw/zinc/89/01/34/446890134.db2.gz VWXIXFKBIAEELD-XOKHGSTOSA-N 1 3 337.533 1.803 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419113190 446932166 /nfs/dbraw/zinc/93/21/66/446932166.db2.gz QOYGAKLKVPFOAV-HNNXBMFYSA-N 1 3 348.491 1.066 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454795224 446972656 /nfs/dbraw/zinc/97/26/56/446972656.db2.gz HFWJJFDIYRMMAA-XGXHKWSGSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454795224 446972660 /nfs/dbraw/zinc/97/26/60/446972660.db2.gz HFWJJFDIYRMMAA-XGXHKWSGSA-N 1 3 342.487 1.852 20 0 EDADHO COc1ccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443058086 447000573 /nfs/dbraw/zinc/00/05/73/447000573.db2.gz JCLFUHJHXAVQDX-CQSZACIVSA-N 1 3 335.448 1.381 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375802674 447063530 /nfs/dbraw/zinc/06/35/30/447063530.db2.gz VQCDYMUFKJFVSS-KSZLIROESA-N 1 3 331.460 1.887 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375802674 447063533 /nfs/dbraw/zinc/06/35/33/447063533.db2.gz VQCDYMUFKJFVSS-KSZLIROESA-N 1 3 331.460 1.887 20 0 EDADHO CN(C[C@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829842 447085080 /nfs/dbraw/zinc/08/50/80/447085080.db2.gz HTOBPVZIYBVDOP-PMACEKPBSA-N 1 3 331.504 1.994 20 0 EDADHO CN(C[C@](C)(O)c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829842 447085088 /nfs/dbraw/zinc/08/50/88/447085088.db2.gz HTOBPVZIYBVDOP-PMACEKPBSA-N 1 3 331.504 1.994 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172463 447087955 /nfs/dbraw/zinc/08/79/55/447087955.db2.gz RLUAKMLOQGUYDL-MBOZVWFJSA-N 1 3 347.503 1.808 20 0 EDADHO CCN(CCO)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455857570 447243230 /nfs/dbraw/zinc/24/32/30/447243230.db2.gz OSIPNDAHPLLFQM-KRWDZBQOSA-N 1 3 334.464 1.671 20 0 EDADHO CN(C)CCOCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000447597306 447280021 /nfs/dbraw/zinc/28/00/21/447280021.db2.gz SDPSKZLNLOXFGC-UHFFFAOYSA-N 1 3 331.460 1.987 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1CCCCN1C1CC1 ZINC000458707005 447458078 /nfs/dbraw/zinc/45/80/78/447458078.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@@H]1CCCCN1C1CC1 ZINC000458707005 447458084 /nfs/dbraw/zinc/45/80/84/447458084.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000415469478 447460458 /nfs/dbraw/zinc/46/04/58/447460458.db2.gz XLHGHFLMYGOBCR-NVXWUHKLSA-N 1 3 346.475 1.711 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390848269 447502474 /nfs/dbraw/zinc/50/24/74/447502474.db2.gz CEWSIMGWWXZSHN-ROUUACIJSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938669 447518656 /nfs/dbraw/zinc/51/86/56/447518656.db2.gz BIUQNEKECTVNRA-YJBOKZPZSA-N 1 3 334.508 1.240 20 0 EDADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000385478151 447469473 /nfs/dbraw/zinc/46/94/73/447469473.db2.gz FBLLTXUSDQWRMG-UXHICEINSA-N 1 3 347.503 1.181 20 0 EDADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000385478151 447469480 /nfs/dbraw/zinc/46/94/80/447469480.db2.gz FBLLTXUSDQWRMG-UXHICEINSA-N 1 3 347.503 1.181 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000459156346 447597912 /nfs/dbraw/zinc/59/79/12/447597912.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCCN1CCO)C1CC1 ZINC000459156346 447597920 /nfs/dbraw/zinc/59/79/20/447597920.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420126667 447619807 /nfs/dbraw/zinc/61/98/07/447619807.db2.gz NZNJXWNMBINFNX-PBHICJAKSA-N 1 3 346.475 1.265 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000457921207 447672594 /nfs/dbraw/zinc/67/25/94/447672594.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 1 3 348.491 1.264 20 0 EDADHO CN(CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO)Cc1ccccc1 ZINC000457921207 447672600 /nfs/dbraw/zinc/67/26/00/447672600.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 1 3 348.491 1.264 20 0 EDADHO C[C@@H](NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000422710281 447722758 /nfs/dbraw/zinc/72/27/58/447722758.db2.gz FOWYWFSJBVUZMP-AEFFLSMTSA-N 1 3 336.524 1.299 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023362 447731445 /nfs/dbraw/zinc/73/14/45/447731445.db2.gz PGKQZESBUPECPM-XYJFISCASA-N 1 3 347.507 1.400 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000422834519 447764828 /nfs/dbraw/zinc/76/48/28/447764828.db2.gz HRCXPPQHNFWGHG-QFBILLFUSA-N 1 3 347.503 1.500 20 0 EDADHO CN(C)C1(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CCCC1 ZINC000496199711 447742055 /nfs/dbraw/zinc/74/20/55/447742055.db2.gz KMUUBZKNKYPBLL-UHFFFAOYSA-N 1 3 327.473 1.499 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792113 447750898 /nfs/dbraw/zinc/75/08/98/447750898.db2.gz QOWNDCLZBASGMJ-VHSSKADRSA-N 1 3 332.423 1.896 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792113 447750903 /nfs/dbraw/zinc/75/09/03/447750903.db2.gz QOWNDCLZBASGMJ-VHSSKADRSA-N 1 3 332.423 1.896 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840856 447765991 /nfs/dbraw/zinc/76/59/91/447765991.db2.gz CGOZEOKMYPGGKY-MSOLQXFVSA-N 1 3 333.476 1.564 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422914418 447771375 /nfs/dbraw/zinc/77/13/75/447771375.db2.gz UDDYQNQBMFXQRB-IBGZPJMESA-N 1 3 344.503 1.744 20 0 EDADHO C[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914451 447771511 /nfs/dbraw/zinc/77/15/11/447771511.db2.gz UGQLCYOQTDTZHG-YJBOKZPZSA-N 1 3 332.492 1.598 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423022593 447793373 /nfs/dbraw/zinc/79/33/73/447793373.db2.gz FPRMNIROZZGKSK-SWDXFRIISA-N 1 3 344.503 1.148 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000423104871 447806172 /nfs/dbraw/zinc/80/61/72/447806172.db2.gz QJYHHOMEWNIGRG-TZMCWYRMSA-N 1 3 345.896 1.596 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000488179660 447842728 /nfs/dbraw/zinc/84/27/28/447842728.db2.gz INOASKZAEJNFMB-CRAIPNDOSA-N 1 3 348.491 1.345 20 0 EDADHO CS[C@H]1CN(C(=O)CC2CCN(C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000487096012 447827417 /nfs/dbraw/zinc/82/74/17/447827417.db2.gz MRJWEYKDVFSUNR-CVEARBPZSA-N 1 3 325.522 1.757 20 0 EDADHO CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1N1CCCC1 ZINC000487096012 447827418 /nfs/dbraw/zinc/82/74/18/447827418.db2.gz MRJWEYKDVFSUNR-CVEARBPZSA-N 1 3 325.522 1.757 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000525248945 447983043 /nfs/dbraw/zinc/98/30/43/447983043.db2.gz JMULAEYDJVSTIN-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CCN(C)CC1 ZINC000576210412 447999912 /nfs/dbraw/zinc/99/99/12/447999912.db2.gz KKUVALUKHZAJOB-SFHVURJKSA-N 1 3 345.491 1.683 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000531059423 448012013 /nfs/dbraw/zinc/01/20/13/448012013.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000531059423 448012021 /nfs/dbraw/zinc/01/20/21/448012021.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000530819342 447965676 /nfs/dbraw/zinc/96/56/76/447965676.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 1 3 343.471 1.319 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C2CC2)C1 ZINC000530819342 447965681 /nfs/dbraw/zinc/96/56/81/447965681.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 1 3 343.471 1.319 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409732 448048475 /nfs/dbraw/zinc/04/84/75/448048475.db2.gz AMAJQRYFAPCTME-IRXDYDNUSA-N 1 3 336.524 1.203 20 0 EDADHO Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)c(-c2ccnn2C)c1 ZINC000554921855 448056546 /nfs/dbraw/zinc/05/65/46/448056546.db2.gz DTNRDGOVKKDPMS-UHFFFAOYSA-N 1 3 328.460 1.942 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402377 448077888 /nfs/dbraw/zinc/07/78/88/448077888.db2.gz NIUNGNSFQIKCIU-RDJZCZTQSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402377 448077892 /nfs/dbraw/zinc/07/78/92/448077892.db2.gz NIUNGNSFQIKCIU-RDJZCZTQSA-N 1 3 335.496 1.398 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C1 ZINC000501728624 448096525 /nfs/dbraw/zinc/09/65/25/448096525.db2.gz MOXHEDWQMCYZBH-KKUMJFAQSA-N 1 3 328.501 1.323 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000571438717 448154901 /nfs/dbraw/zinc/15/49/01/448154901.db2.gz DZWKKEFICSWUSD-IAGOWNOFSA-N 1 3 337.439 1.077 20 0 EDADHO COC[C@]1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871966 448158374 /nfs/dbraw/zinc/15/83/74/448158374.db2.gz MQRJOZCTKFZLHO-IEBWSBKVSA-N 1 3 346.475 1.178 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)CN1CCN(C)CC1)N(C)C ZINC000571316252 448136761 /nfs/dbraw/zinc/13/67/61/448136761.db2.gz YQQWBOVVVSRQKV-NSHGMRRFSA-N 1 3 348.535 1.184 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNC1CC[NH+](CC2CC2)CC1 ZINC000497071222 448174456 /nfs/dbraw/zinc/17/44/56/448174456.db2.gz KJXGZTLEUZSOMZ-SFHVURJKSA-N 1 3 341.496 1.726 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556860241 448167136 /nfs/dbraw/zinc/16/71/36/448167136.db2.gz ZCYWCSHGZAOLSP-HNNXBMFYSA-N 1 3 346.475 1.696 20 0 EDADHO CC(C)[C@@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000576921490 448168860 /nfs/dbraw/zinc/16/88/60/448168860.db2.gz AKQMZFKFYDEGTH-IRXDYDNUSA-N 1 3 342.528 1.572 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000571897544 448231838 /nfs/dbraw/zinc/23/18/38/448231838.db2.gz PMUNCNXIECCYDM-ZWKOTPCHSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC[N@@H+]1C ZINC000532207286 448216892 /nfs/dbraw/zinc/21/68/92/448216892.db2.gz KAQAYJJOECZNDM-BMFZPTHFSA-N 1 3 347.459 1.383 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC[N@H+]1C ZINC000532207286 448216896 /nfs/dbraw/zinc/21/68/96/448216896.db2.gz KAQAYJJOECZNDM-BMFZPTHFSA-N 1 3 347.459 1.383 20 0 EDADHO CSc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc1 ZINC000527381566 448221834 /nfs/dbraw/zinc/22/18/34/448221834.db2.gz PRQQOIKZKZWPQM-UHFFFAOYSA-N 1 3 325.482 1.761 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000577382653 448282098 /nfs/dbraw/zinc/28/20/98/448282098.db2.gz MEDPAOGCPSCXFF-ZDUSSCGKSA-N 1 3 326.404 1.101 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 ZINC000572475439 448387755 /nfs/dbraw/zinc/38/77/55/448387755.db2.gz CNDDNFHOFYHAHY-UHFFFAOYSA-N 1 3 342.447 2.561 20 0 EDADHO O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000572615235 448424408 /nfs/dbraw/zinc/42/44/08/448424408.db2.gz UXGFWJIKLOJHEU-IRXDYDNUSA-N 1 3 337.533 1.901 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000516563206 448437837 /nfs/dbraw/zinc/43/78/37/448437837.db2.gz ZFLRYQDBFBZRKH-HXUWFJFHSA-N 1 3 331.504 1.738 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000516563206 448437842 /nfs/dbraw/zinc/43/78/42/448437842.db2.gz ZFLRYQDBFBZRKH-HXUWFJFHSA-N 1 3 331.504 1.738 20 0 EDADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)CN1CCCC1 ZINC000572713948 448445483 /nfs/dbraw/zinc/44/54/83/448445483.db2.gz OJKIPCXRWMLHPO-GJZGRUSLSA-N 1 3 336.432 1.477 20 0 EDADHO CN1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H]1c1ccccc1 ZINC000516749717 448467477 /nfs/dbraw/zinc/46/74/77/448467477.db2.gz MAYJLHXQOCRWBH-ULQDDVLXSA-N 1 3 332.448 1.110 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000517337693 448573356 /nfs/dbraw/zinc/57/33/56/448573356.db2.gz GEMGIBOXFZLIKO-INIZCTEOSA-N 1 3 346.475 1.665 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545059 448576609 /nfs/dbraw/zinc/57/66/09/448576609.db2.gz CMOGZASKESTQSZ-LSDHHAIUSA-N 1 3 344.459 1.954 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000567111002 448615757 /nfs/dbraw/zinc/61/57/57/448615757.db2.gz DMFLOQIXDMHUIU-ROUUACIJSA-N 1 3 336.476 1.417 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000517495977 448586892 /nfs/dbraw/zinc/58/68/92/448586892.db2.gz XTBNLZWXVPNEPM-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000517495977 448586898 /nfs/dbraw/zinc/58/68/98/448586898.db2.gz XTBNLZWXVPNEPM-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123239 448647639 /nfs/dbraw/zinc/64/76/39/448647639.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 1 3 330.476 1.752 20 0 EDADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518123239 448647642 /nfs/dbraw/zinc/64/76/42/448647642.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 1 3 330.476 1.752 20 0 EDADHO CN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850353 448650917 /nfs/dbraw/zinc/65/09/17/448650917.db2.gz PGMBVUKEJPPCFO-DAWZGUTISA-N 1 3 346.475 1.409 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000579470019 448800619 /nfs/dbraw/zinc/80/06/19/448800619.db2.gz YOIPVOJNTURNPI-AEFFLSMTSA-N 1 3 337.508 1.866 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592450725 448844374 /nfs/dbraw/zinc/84/43/74/448844374.db2.gz WNJHOLJLCUIFMR-WFASDCNBSA-N 1 3 343.431 1.158 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[C@H](O)[C@@H]4C3)CC2)CC1 ZINC000574701987 448938028 /nfs/dbraw/zinc/93/80/28/448938028.db2.gz PXWIFAXECISPRM-UHOSZYNNSA-N 1 3 349.519 1.412 20 0 EDADHO CC(C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1CN)[NH+]1CCC(C)CC1 ZINC000574741345 448943810 /nfs/dbraw/zinc/94/38/10/448943810.db2.gz XBUUUOSSOZYPSV-IAGOWNOFSA-N 1 3 339.528 1.027 20 0 EDADHO CN1CCN(CCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000582071458 449005124 /nfs/dbraw/zinc/00/51/24/449005124.db2.gz STLCQWIJLCDMLE-UHFFFAOYSA-N 1 3 332.492 1.158 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521986777 449035967 /nfs/dbraw/zinc/03/59/67/449035967.db2.gz WBYYONTXTJSYGL-OAGGEKHMSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029368 /nfs/dbraw/zinc/02/93/68/449029368.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 1 3 349.519 1.568 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCCC[N@@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029371 /nfs/dbraw/zinc/02/93/71/449029371.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 1 3 349.519 1.568 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440702 449044648 /nfs/dbraw/zinc/04/46/48/449044648.db2.gz WKPOKXGEQVYWNS-MRXNPFEDSA-N 1 3 333.480 1.050 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000569578061 449048237 /nfs/dbraw/zinc/04/82/37/449048237.db2.gz GZSCRUKNFPJQOA-OIISXLGYSA-N 1 3 332.448 1.019 20 0 EDADHO CNC(=O)c1cccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239679 449090552 /nfs/dbraw/zinc/09/05/52/449090552.db2.gz GYHHOTLZQONGOZ-SFHVURJKSA-N 1 3 331.460 1.637 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C2)CC1 ZINC000593906774 449277499 /nfs/dbraw/zinc/27/74/99/449277499.db2.gz VBPXJAVMRLYKSD-FGTMMUONSA-N 1 3 334.508 1.144 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685247 449504660 /nfs/dbraw/zinc/50/46/60/449504660.db2.gz FIQKSCMUNKEMEE-GOEBONIOSA-N 1 3 326.485 1.127 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000606704104 449513105 /nfs/dbraw/zinc/51/31/05/449513105.db2.gz OYQYAGHWFCJASL-MRXNPFEDSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CNC(=O)Nc1ccccc1 ZINC000617504262 449650524 /nfs/dbraw/zinc/65/05/24/449650524.db2.gz NHACNTOTECUYGE-HNNXBMFYSA-N 1 3 349.479 1.196 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CNC(=O)Nc1ccccc1 ZINC000617504262 449650526 /nfs/dbraw/zinc/65/05/26/449650526.db2.gz NHACNTOTECUYGE-HNNXBMFYSA-N 1 3 349.479 1.196 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617506045 449652707 /nfs/dbraw/zinc/65/27/07/449652707.db2.gz YZFKYYIOIKOTNV-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-n2cccn2)ccn1 ZINC000617506045 449652709 /nfs/dbraw/zinc/65/27/09/449652709.db2.gz YZFKYYIOIKOTNV-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000617503943 449645907 /nfs/dbraw/zinc/64/59/07/449645907.db2.gz BMAQFSHDRZBBSM-LBPRGKRZSA-N 1 3 333.436 1.270 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000617503943 449645910 /nfs/dbraw/zinc/64/59/10/449645910.db2.gz BMAQFSHDRZBBSM-LBPRGKRZSA-N 1 3 333.436 1.270 20 0 EDADHO CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N(CC)CC ZINC000617700340 449745019 /nfs/dbraw/zinc/74/50/19/449745019.db2.gz CGLGBSHLEGWYPY-RBUKOAKNSA-N 1 3 347.503 1.990 20 0 EDADHO CC[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N(CC)CC ZINC000617700340 449745021 /nfs/dbraw/zinc/74/50/21/449745021.db2.gz CGLGBSHLEGWYPY-RBUKOAKNSA-N 1 3 347.503 1.990 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000617767270 449831876 /nfs/dbraw/zinc/83/18/76/449831876.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 1 3 346.519 1.651 20 0 EDADHO CN1CCN(CC2CN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000615273470 450037945 /nfs/dbraw/zinc/03/79/45/450037945.db2.gz SJZNDINIKUGLDW-LJQANCHMSA-N 1 3 344.503 1.385 20 0 EDADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000618307847 450131945 /nfs/dbraw/zinc/13/19/45/450131945.db2.gz WMHFNBQFSMOAMU-KRWDZBQOSA-N 1 3 348.491 1.158 20 0 EDADHO CN1CCC[N@H+](CCCNCc2ccc(Br)cn2)CC1 ZINC000603723725 450344020 /nfs/dbraw/zinc/34/40/20/450344020.db2.gz LDWFAMIYCJKMGH-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2ccc(Br)cn2)CC1 ZINC000603723725 450344023 /nfs/dbraw/zinc/34/40/23/450344023.db2.gz LDWFAMIYCJKMGH-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO Cn1cc(CC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353117 /nfs/dbraw/zinc/35/31/17/450353117.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 1 3 325.460 1.956 20 0 EDADHO Cn1cc(CC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353120 /nfs/dbraw/zinc/35/31/20/450353120.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 1 3 325.460 1.956 20 0 EDADHO CN(CC[NH2+][C@H]1CCN(C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467712 450526549 /nfs/dbraw/zinc/52/65/49/450526549.db2.gz UQJZSROSFULQIV-ZDUSSCGKSA-N 1 3 345.534 1.831 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000623621261 450553657 /nfs/dbraw/zinc/55/36/57/450553657.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000623621261 450553659 /nfs/dbraw/zinc/55/36/59/450553659.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 1 3 340.512 1.517 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000635148921 450695030 /nfs/dbraw/zinc/69/50/30/450695030.db2.gz KSMOHRARPRPDRL-GOSISDBHSA-N 1 3 334.508 1.243 20 0 EDADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000629519467 450724166 /nfs/dbraw/zinc/72/41/66/450724166.db2.gz AHFXYEYYVUGHGW-GFCCVEGCSA-N 1 3 327.450 1.217 20 0 EDADHO COCCOCCN(C)CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635183925 450726743 /nfs/dbraw/zinc/72/67/43/450726743.db2.gz VWUVQQPMQGXSNS-UHFFFAOYSA-N 1 3 343.512 1.397 20 0 EDADHO O[C@H](C[NH2+]CCCN1CCN(c2ccccc2)CC1)CN1CCCC1 ZINC000629555169 450733083 /nfs/dbraw/zinc/73/30/83/450733083.db2.gz YHVWTGJVFQVPMA-HXUWFJFHSA-N 1 3 346.519 1.245 20 0 EDADHO O[C@H](CNCCCN1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555169 450733088 /nfs/dbraw/zinc/73/30/88/450733088.db2.gz YHVWTGJVFQVPMA-HXUWFJFHSA-N 1 3 346.519 1.245 20 0 EDADHO CCCN1CCN(c2ccccc2CNCC2([NH3+])CCOCC2)CC1 ZINC000629653502 450772281 /nfs/dbraw/zinc/77/22/81/450772281.db2.gz IJZGDGYLYACZIX-UHFFFAOYSA-N 1 3 346.519 1.816 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000624382547 450822688 /nfs/dbraw/zinc/82/26/88/450822688.db2.gz GFYNOURDPDSMPS-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000624382547 450822693 /nfs/dbraw/zinc/82/26/93/450822693.db2.gz GFYNOURDPDSMPS-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940580 450898193 /nfs/dbraw/zinc/89/81/93/450898193.db2.gz ANDRNQBXZOVOGG-HOTGVXAUSA-N 1 3 329.510 1.124 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626922368 451006742 /nfs/dbraw/zinc/00/67/42/451006742.db2.gz VEOQTYTWWBTYRR-QGZVFWFLSA-N 1 3 348.491 1.877 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000626931500 451014723 /nfs/dbraw/zinc/01/47/23/451014723.db2.gz GXTYUNMYUICYJY-DLBZAZTESA-N 1 3 334.464 1.567 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626939585 451020600 /nfs/dbraw/zinc/02/06/00/451020600.db2.gz JUZJHBOUVZASPE-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000622132994 451058688 /nfs/dbraw/zinc/05/86/88/451058688.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000622132994 451058692 /nfs/dbraw/zinc/05/86/92/451058692.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000626997732 451063201 /nfs/dbraw/zinc/06/32/01/451063201.db2.gz CAUSOTYKQOUWAA-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000627033825 451093007 /nfs/dbraw/zinc/09/30/07/451093007.db2.gz VTHRHGSTICBIPT-GDBMZVCRSA-N 1 3 334.464 1.485 20 0 EDADHO CC1CCC(N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC000627153404 451150402 /nfs/dbraw/zinc/15/04/02/451150402.db2.gz WNTDACHGFQDJQN-UHFFFAOYSA-N 1 3 338.496 1.400 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000638125692 451295043 /nfs/dbraw/zinc/29/50/43/451295043.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 1 3 346.519 1.779 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000638125692 451295049 /nfs/dbraw/zinc/29/50/49/451295049.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 1 3 346.519 1.779 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234034 451372949 /nfs/dbraw/zinc/37/29/49/451372949.db2.gz KGLICORZCCNAGA-IEBWSBKVSA-N 1 3 330.476 1.048 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630750013 451382473 /nfs/dbraw/zinc/38/24/73/451382473.db2.gz MGVBBKPQZLLGIQ-IRXDYDNUSA-N 1 3 349.523 1.933 20 0 EDADHO O=C(CN1CC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000638278224 451396521 /nfs/dbraw/zinc/39/65/21/451396521.db2.gz YRMLLQPGFAUDOD-UHFFFAOYSA-N 1 3 344.503 1.059 20 0 EDADHO O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CCN1C1CCCCC1 ZINC000632591777 451430842 /nfs/dbraw/zinc/43/08/42/451430842.db2.gz HJABORXMNGMMRK-QGZVFWFLSA-N 1 3 343.537 1.799 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638384964 451477881 /nfs/dbraw/zinc/47/78/81/451477881.db2.gz GWAGDLJEUYNPOF-IBGZPJMESA-N 1 3 340.471 1.482 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638395284 451484254 /nfs/dbraw/zinc/48/42/54/451484254.db2.gz AXWVNXFNJFYTPA-TZMCWYRMSA-N 1 3 345.447 1.255 20 0 EDADHO Cc1c(CN)c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000638401362 451489089 /nfs/dbraw/zinc/48/90/89/451489089.db2.gz CFSVVQLWTXJACS-HNNXBMFYSA-N 1 3 327.432 1.648 20 0 EDADHO Cc1c(CN)c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1C ZINC000638401362 451489095 /nfs/dbraw/zinc/48/90/95/451489095.db2.gz CFSVVQLWTXJACS-HNNXBMFYSA-N 1 3 327.432 1.648 20 0 EDADHO CN(Cc1cnc[nH]1)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638404099 451493009 /nfs/dbraw/zinc/49/30/09/451493009.db2.gz ZHXNJYHYBNTZEO-UHFFFAOYSA-N 1 3 341.459 1.752 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000638407562 451496102 /nfs/dbraw/zinc/49/61/02/451496102.db2.gz BICLMGKTWNFXMY-PKOBYXMFSA-N 1 3 346.475 1.177 20 0 EDADHO CO[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)[C@H]1CCOC1 ZINC000638463403 451528846 /nfs/dbraw/zinc/52/88/46/451528846.db2.gz UNFJWDVECFDSOG-PKOBYXMFSA-N 1 3 348.491 1.235 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000636144170 451546227 /nfs/dbraw/zinc/54/62/27/451546227.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 1 3 341.496 1.104 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000636144170 451546233 /nfs/dbraw/zinc/54/62/33/451546233.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 1 3 341.496 1.104 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526122 451558200 /nfs/dbraw/zinc/55/82/00/451558200.db2.gz DXLJXDSAIMEGTF-MRXNPFEDSA-N 1 3 334.464 1.680 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)CC1 ZINC000629128828 451561185 /nfs/dbraw/zinc/56/11/85/451561185.db2.gz VYQVBNMEEWZCIE-HKUYNNGSSA-N 1 3 349.519 1.866 20 0 EDADHO CN1CCC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631069784 451567363 /nfs/dbraw/zinc/56/73/63/451567363.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 1 3 347.503 1.829 20 0 EDADHO C[N@@H+]1CCC[C@H](CNCc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631069784 451567370 /nfs/dbraw/zinc/56/73/70/451567370.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 1 3 347.503 1.829 20 0 EDADHO C[N@H+]1CCC[C@H](CNCc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631069784 451567377 /nfs/dbraw/zinc/56/73/77/451567377.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 1 3 347.503 1.829 20 0 EDADHO [NH3+]CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634339 451623002 /nfs/dbraw/zinc/62/30/02/451623002.db2.gz ORZBNWSRBOGDDU-MRXNPFEDSA-N 1 3 349.450 1.662 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000632950283 451665512 /nfs/dbraw/zinc/66/55/12/451665512.db2.gz XQNQRBHWIQCYJO-MRXNPFEDSA-N 1 3 344.463 1.526 20 0 EDADHO CCN1CCC(NC(=O)Cn2cc(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000640865715 451650177 /nfs/dbraw/zinc/65/01/77/451650177.db2.gz DAHVMUFFVLZPFO-UHFFFAOYSA-N 1 3 342.447 1.004 20 0 EDADHO CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(=O)NCCN(C)C ZINC000638818779 451700447 /nfs/dbraw/zinc/70/04/47/451700447.db2.gz SZPYHKCNMFQJAF-PMPSAXMXSA-N 1 3 340.512 1.116 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000638729552 451668504 /nfs/dbraw/zinc/66/85/04/451668504.db2.gz QWOJWRIODMOOFG-HZPDHXFCSA-N 1 3 325.497 1.709 20 0 EDADHO CC(C)(C)[C@@H](N)c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641003546 451726762 /nfs/dbraw/zinc/72/67/62/451726762.db2.gz MLBHTVCKCJEXAD-INIZCTEOSA-N 1 3 334.468 1.067 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151133 451741531 /nfs/dbraw/zinc/74/15/31/451741531.db2.gz XPJDZCIHTUPMPA-RYQLBKOJSA-N 1 3 346.475 1.015 20 0 EDADHO CO[C@]1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCOC1 ZINC000639044196 451756681 /nfs/dbraw/zinc/75/66/81/451756681.db2.gz GSGZEBZXCZDHHE-SFHVURJKSA-N 1 3 325.497 1.141 20 0 EDADHO NS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCC2)cc1 ZINC000639209287 451792373 /nfs/dbraw/zinc/79/23/73/451792373.db2.gz AIZLTSVCPXDJNK-UHFFFAOYSA-N 1 3 325.478 1.690 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)CCc2ccccc2)C1 ZINC000644539341 451851179 /nfs/dbraw/zinc/85/11/79/451851179.db2.gz CBAWUHZLNBQQBX-ZWKOTPCHSA-N 1 3 333.476 1.157 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC[C@H](O)CCc2ccccc2)C1 ZINC000644539341 451851184 /nfs/dbraw/zinc/85/11/84/451851184.db2.gz CBAWUHZLNBQQBX-ZWKOTPCHSA-N 1 3 333.476 1.157 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCN1CCCCC1)C(C)C ZINC000653353328 451866717 /nfs/dbraw/zinc/86/67/17/451866717.db2.gz ZYGQTIWVQDSMKR-UHFFFAOYSA-N 1 3 340.512 1.166 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645413 451906742 /nfs/dbraw/zinc/90/67/42/451906742.db2.gz JZZROJODAJJALO-CVEARBPZSA-N 1 3 338.496 1.016 20 0 EDADHO COc1ccc([C@H](CNC(=O)COC2(C)C[NH2+]C2)N2CCCC2)cc1 ZINC000649277244 451947415 /nfs/dbraw/zinc/94/74/15/451947415.db2.gz PLHAVEKILKFALJ-KRWDZBQOSA-N 1 3 347.459 1.327 20 0 EDADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649293762 451969964 /nfs/dbraw/zinc/96/99/64/451969964.db2.gz IJHSEKJTUBBWGJ-QZTJIDSGSA-N 1 3 331.460 1.566 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649321581 451999346 /nfs/dbraw/zinc/99/93/46/451999346.db2.gz CRWCBCGJFUKHPQ-FUHWJXTLSA-N 1 3 333.476 1.661 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347258 452030763 /nfs/dbraw/zinc/03/07/63/452030763.db2.gz MTYXXSPYUNEGAW-STQMWFEESA-N 1 3 339.386 1.587 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CNCCOC2)CC1 ZINC000649378552 452051614 /nfs/dbraw/zinc/05/16/14/452051614.db2.gz IVDZSPTXAQEDSU-SJLPKXTDSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CNCCOC2)CC1 ZINC000649378552 452051619 /nfs/dbraw/zinc/05/16/19/452051619.db2.gz IVDZSPTXAQEDSU-SJLPKXTDSA-N 1 3 337.508 1.726 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000649412336 452075380 /nfs/dbraw/zinc/07/53/80/452075380.db2.gz BCVURIPEJIYFPF-BHIYHBOVSA-N 1 3 333.476 1.269 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CCN(C2CC2)CC1 ZINC000649414914 452078129 /nfs/dbraw/zinc/07/81/29/452078129.db2.gz AAHXEZIZBOSYRF-CRAIPNDOSA-N 1 3 334.508 1.193 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758626 452095785 /nfs/dbraw/zinc/09/57/85/452095785.db2.gz WSWJAMSJDIAGPM-INIZCTEOSA-N 1 3 331.464 1.333 20 0 EDADHO COc1ncncc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000647177312 452107405 /nfs/dbraw/zinc/10/74/05/452107405.db2.gz UUXOJIUQZPLJER-UHFFFAOYSA-N 1 3 342.447 1.182 20 0 EDADHO C[C@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C[C@H](C)N1 ZINC000637839322 452110283 /nfs/dbraw/zinc/11/02/83/452110283.db2.gz JDQDWLLAYIVXPE-IRXDYDNUSA-N 1 3 344.503 1.579 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000645183035 452199421 /nfs/dbraw/zinc/19/94/21/452199421.db2.gz UYTPLAKTURNVBK-CVEARBPZSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CCO2 ZINC000645183035 452199426 /nfs/dbraw/zinc/19/94/26/452199426.db2.gz UYTPLAKTURNVBK-CVEARBPZSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000645183038 452199742 /nfs/dbraw/zinc/19/97/42/452199742.db2.gz UYTPLAKTURNVBK-JKSUJKDBSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)CCO2 ZINC000645183038 452199746 /nfs/dbraw/zinc/19/97/46/452199746.db2.gz UYTPLAKTURNVBK-JKSUJKDBSA-N 1 3 336.480 1.119 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000659434802 452281854 /nfs/dbraw/zinc/28/18/54/452281854.db2.gz BWBGUJJBLXMWIA-RMXPPQQLSA-N 1 3 328.460 1.956 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H](C)C1 ZINC000659456979 452307612 /nfs/dbraw/zinc/30/76/12/452307612.db2.gz VELKPRBCPUPGOC-FPCVCCKLSA-N 1 3 344.475 1.204 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@H](C)C1 ZINC000659456979 452307622 /nfs/dbraw/zinc/30/76/22/452307622.db2.gz VELKPRBCPUPGOC-FPCVCCKLSA-N 1 3 344.475 1.204 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465452 452321618 /nfs/dbraw/zinc/32/16/18/452321618.db2.gz KYANMZQUTXTNPH-FTSJTYPLSA-N 1 3 342.487 1.948 20 0 EDADHO [NH3+]C/C=C/CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000641864902 452330449 /nfs/dbraw/zinc/33/04/49/452330449.db2.gz LAMCEVBZDDCURY-SNAWJCMRSA-N 1 3 330.476 1.851 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnnn1-c1ccccc1 ZINC000657572577 452339792 /nfs/dbraw/zinc/33/97/92/452339792.db2.gz BQBDVIQLUIFXMS-INIZCTEOSA-N 1 3 330.480 1.629 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC000665763620 452345728 /nfs/dbraw/zinc/34/57/28/452345728.db2.gz HITCGPDQFFDWIM-IKGGRYGDSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](C)[C@@H]1CCO ZINC000665763620 452345739 /nfs/dbraw/zinc/34/57/39/452345739.db2.gz HITCGPDQFFDWIM-IKGGRYGDSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000659567221 452421829 /nfs/dbraw/zinc/42/18/29/452421829.db2.gz SJDKWEHWNRQQOB-HZPDHXFCSA-N 1 3 345.491 1.685 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659567504 452424355 /nfs/dbraw/zinc/42/43/55/452424355.db2.gz WMQKGBYJANCFMT-HDICACEKSA-N 1 3 343.475 1.154 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CCN([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000659608313 452463731 /nfs/dbraw/zinc/46/37/31/452463731.db2.gz MQHXTPBMRRWYOI-BSWAZPDLSA-N 1 3 336.480 1.009 20 0 EDADHO CCCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000659608506 452464516 /nfs/dbraw/zinc/46/45/16/452464516.db2.gz OLTQNEGTOGLKJC-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000659611632 452468062 /nfs/dbraw/zinc/46/80/62/452468062.db2.gz SRAVFHPUSSZXRK-LUKYLMHMSA-N 1 3 338.496 1.399 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000655680958 452506534 /nfs/dbraw/zinc/50/65/34/452506534.db2.gz QSVPRIAZUOAZDW-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346175 452518949 /nfs/dbraw/zinc/51/89/49/452518949.db2.gz VEBGOUIURFCSJI-XGXHKWSGSA-N 1 3 345.487 1.910 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346650 452521870 /nfs/dbraw/zinc/52/18/70/452521870.db2.gz CQFQPHIFPSFBOJ-XMTFNYHQSA-N 1 3 337.508 1.996 20 0 EDADHO c1cc2n(n1)CCC[C@H]2NCCOCC[NH2+][C@@H]1CCCn2nccc21 ZINC000640220306 452526479 /nfs/dbraw/zinc/52/64/79/452526479.db2.gz LPQYFNVMXGNQCY-HZPDHXFCSA-N 1 3 344.463 1.645 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654460851 452527334 /nfs/dbraw/zinc/52/73/34/452527334.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815101 452546160 /nfs/dbraw/zinc/54/61/60/452546160.db2.gz PCGHIHOTOQXZAM-IBGZPJMESA-N 1 3 344.503 1.622 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)Cn3cncn3)cc2)CC1 ZINC000657839606 452559080 /nfs/dbraw/zinc/55/90/80/452559080.db2.gz XANDVCNISOUXOH-KRWDZBQOSA-N 1 3 342.491 1.594 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC(CN2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000647824910 452559996 /nfs/dbraw/zinc/55/99/96/452559996.db2.gz DNNORVWGLAMSOV-SFHVURJKSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(N(C)C)c1 ZINC000663878896 452603319 /nfs/dbraw/zinc/60/33/19/452603319.db2.gz NESBABFANUDKSC-INIZCTEOSA-N 1 3 349.523 1.824 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(N(C)C)c1 ZINC000663878896 452603328 /nfs/dbraw/zinc/60/33/28/452603328.db2.gz NESBABFANUDKSC-INIZCTEOSA-N 1 3 349.523 1.824 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655916053 452676714 /nfs/dbraw/zinc/67/67/14/452676714.db2.gz ZKZUDCKADMEKSW-UTUOFQBUSA-N 1 3 338.418 1.932 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655916052 452677401 /nfs/dbraw/zinc/67/74/01/452677401.db2.gz ZKZUDCKADMEKSW-TUAOUCFPSA-N 1 3 338.418 1.932 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655916052 452677403 /nfs/dbraw/zinc/67/74/03/452677403.db2.gz ZKZUDCKADMEKSW-TUAOUCFPSA-N 1 3 338.418 1.932 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652607064 452767064 /nfs/dbraw/zinc/76/70/64/452767064.db2.gz GBQPVLPXXDAJCL-UHFFFAOYSA-N 1 3 334.399 1.364 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000652612555 452770404 /nfs/dbraw/zinc/77/04/04/452770404.db2.gz VRJOOWGUWYZTDQ-UHFFFAOYSA-N 1 3 334.468 1.442 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000652617029 452774797 /nfs/dbraw/zinc/77/47/97/452774797.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 1 3 345.451 1.272 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000652617029 452774803 /nfs/dbraw/zinc/77/48/03/452774803.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 1 3 345.451 1.272 20 0 EDADHO CN(CCCNC(=O)Nc1cnn(-c2ccncc2)c1)CC[NH+](C)C ZINC000652617029 452774808 /nfs/dbraw/zinc/77/48/08/452774808.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 1 3 345.451 1.272 20 0 EDADHO COc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)n1 ZINC000666337580 452785442 /nfs/dbraw/zinc/78/54/42/452785442.db2.gz PHEASKXXYYJQEJ-ZDUSSCGKSA-N 1 3 337.468 1.792 20 0 EDADHO COc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)n1 ZINC000666337580 452785447 /nfs/dbraw/zinc/78/54/47/452785447.db2.gz PHEASKXXYYJQEJ-ZDUSSCGKSA-N 1 3 337.468 1.792 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652628383 452785765 /nfs/dbraw/zinc/78/57/65/452785765.db2.gz XWEAUQCDUJQJBP-KXBFYZLASA-N 1 3 344.459 1.274 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000648106895 452826180 /nfs/dbraw/zinc/82/61/80/452826180.db2.gz GRIVDKLLKYWWFS-OAHLLOKOSA-N 1 3 326.404 1.101 20 0 EDADHO O=C([C@H]1CNCCC1(F)F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114696 452830938 /nfs/dbraw/zinc/83/09/38/452830938.db2.gz AZUFANJYZXKPGO-HUUCEWRRSA-N 1 3 338.402 1.265 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000654732969 452854166 /nfs/dbraw/zinc/85/41/66/452854166.db2.gz KSDGLRGNRKWHAJ-LJQANCHMSA-N 1 3 347.503 1.974 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000645908279 452892742 /nfs/dbraw/zinc/89/27/42/452892742.db2.gz DZMDGZVZSUCFIA-QGZVFWFLSA-N 1 3 349.475 1.258 20 0 EDADHO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000645959221 452938748 /nfs/dbraw/zinc/93/87/48/452938748.db2.gz STBVAHRGGZUNJR-JQHSSLGASA-N 1 3 333.476 1.532 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706682 452944112 /nfs/dbraw/zinc/94/41/12/452944112.db2.gz QHXCSFWSTRHOMS-KSZLIROESA-N 1 3 345.491 1.795 20 0 EDADHO Cn1nnc2c1CC[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000656199840 452955849 /nfs/dbraw/zinc/95/58/49/452955849.db2.gz FLWZBTSMDJMXMQ-IYJAJMOOSA-N 1 3 339.443 1.518 20 0 EDADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248486 452972770 /nfs/dbraw/zinc/97/27/70/452972770.db2.gz DCDNYMDOHAJDMB-RHSMWYFYSA-N 1 3 327.432 1.781 20 0 EDADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248486 452972777 /nfs/dbraw/zinc/97/27/77/452972777.db2.gz DCDNYMDOHAJDMB-RHSMWYFYSA-N 1 3 327.432 1.781 20 0 EDADHO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662256985 452985381 /nfs/dbraw/zinc/98/53/81/452985381.db2.gz KYBRQXPAIUHVKT-KRWDZBQOSA-N 1 3 347.434 1.997 20 0 EDADHO O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662256986 452986438 /nfs/dbraw/zinc/98/64/38/452986438.db2.gz KYBRQXPAIUHVKT-QGZVFWFLSA-N 1 3 347.434 1.997 20 0 EDADHO CN(Cc1ccccc1N1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260416 452989499 /nfs/dbraw/zinc/98/94/99/452989499.db2.gz LAEKVPMWODGDCN-QGZVFWFLSA-N 1 3 331.460 1.476 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(CN)c2)CCCCC1 ZINC000666600220 453000181 /nfs/dbraw/zinc/00/01/81/453000181.db2.gz BELDBYUPUNOYIZ-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO CN(CC1C[NH+](C)C1)c1cc(C2CC2)nc(N(C)CC2CN(C)C2)n1 ZINC000664329610 453003963 /nfs/dbraw/zinc/00/39/63/453003963.db2.gz HAZFGPGIMDUORZ-UHFFFAOYSA-N 1 3 344.507 1.350 20 0 EDADHO COCCCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338963 453055486 /nfs/dbraw/zinc/05/54/86/453055486.db2.gz XSMOSWQBFKWHIY-INIZCTEOSA-N 1 3 335.496 1.815 20 0 EDADHO COCCCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338963 453055498 /nfs/dbraw/zinc/05/54/98/453055498.db2.gz XSMOSWQBFKWHIY-INIZCTEOSA-N 1 3 335.496 1.815 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC/C=C\C[NH3+])c(C)c2)CC1 ZINC000666676691 453060876 /nfs/dbraw/zinc/06/08/76/453060876.db2.gz WFKRTFNZQZUUHK-PLNGDYQASA-N 1 3 331.464 1.773 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000644154769 453086787 /nfs/dbraw/zinc/08/67/87/453086787.db2.gz UZZFSPHUWVDRAE-IRXDYDNUSA-N 1 3 331.460 1.392 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000646108897 453112946 /nfs/dbraw/zinc/11/29/46/453112946.db2.gz ZZGMYXTYMKDPIA-FUHWJXTLSA-N 1 3 338.540 1.400 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000655023098 453146276 /nfs/dbraw/zinc/14/62/76/453146276.db2.gz RXJJYMLFVLOILH-CRAIPNDOSA-N 1 3 337.508 1.460 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c1 ZINC000662525519 453245660 /nfs/dbraw/zinc/24/56/60/453245660.db2.gz HQCDSGKQOUIIPV-OAHLLOKOSA-N 1 3 327.432 1.478 20 0 EDADHO CCCN1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926184 453252222 /nfs/dbraw/zinc/25/22/22/453252222.db2.gz KZXFCUWKBMIMEU-AWEZNQCLSA-N 1 3 334.468 1.756 20 0 EDADHO Cc1nn(C)c(OCC(F)(F)F)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952097 453277026 /nfs/dbraw/zinc/27/70/26/453277026.db2.gz FUQUVKSBLSVKKL-LBPRGKRZSA-N 1 3 332.370 1.901 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N2CCCC2)cc1 ZINC000653105113 453288537 /nfs/dbraw/zinc/28/85/37/453288537.db2.gz GMICRPJZXZCUBG-ROUUACIJSA-N 1 3 348.491 1.227 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653117912 453306700 /nfs/dbraw/zinc/30/67/00/453306700.db2.gz ZGEFXIPOSIUOFZ-KNBMTAEXSA-N 1 3 343.471 1.564 20 0 EDADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662668900 453382134 /nfs/dbraw/zinc/38/21/34/453382134.db2.gz SDBHOAJHNPOHQD-LSDHHAIUSA-N 1 3 346.479 1.167 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194415 453383128 /nfs/dbraw/zinc/38/31/28/453383128.db2.gz HHMWOFIAGQEQIZ-KXBFYZLASA-N 1 3 331.460 1.828 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673803 453390409 /nfs/dbraw/zinc/39/04/09/453390409.db2.gz RKPUKLXUTKYFFY-QZTJIDSGSA-N 1 3 331.460 1.439 20 0 EDADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667078565 453391960 /nfs/dbraw/zinc/39/19/60/453391960.db2.gz XNKKYQNZUISSAR-YOEHRIQHSA-N 1 3 342.443 1.171 20 0 EDADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667078565 453391967 /nfs/dbraw/zinc/39/19/67/453391967.db2.gz XNKKYQNZUISSAR-YOEHRIQHSA-N 1 3 342.443 1.171 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662676630 453395848 /nfs/dbraw/zinc/39/58/48/453395848.db2.gz ZSNIFMIRCAPAIO-UHFFFAOYSA-N 1 3 331.460 1.918 20 0 EDADHO O=C1[C@H]2CN(C[C@@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000656787424 453446716 /nfs/dbraw/zinc/44/67/16/453446716.db2.gz KKWIILQINAKZQJ-ZACQAIPSSA-N 1 3 327.428 1.103 20 0 EDADHO O=C1[C@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000656787424 453446726 /nfs/dbraw/zinc/44/67/26/453446726.db2.gz KKWIILQINAKZQJ-ZACQAIPSSA-N 1 3 327.428 1.103 20 0 EDADHO O=C1[C@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000656787424 453446733 /nfs/dbraw/zinc/44/67/33/453446733.db2.gz KKWIILQINAKZQJ-ZACQAIPSSA-N 1 3 327.428 1.103 20 0 EDADHO [NH3+]C1(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000662723049 453449231 /nfs/dbraw/zinc/44/92/31/453449231.db2.gz BSOBTBHUZKZIRW-UHFFFAOYSA-N 1 3 344.459 1.010 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000660699395 453522593 /nfs/dbraw/zinc/52/25/93/453522593.db2.gz FCJWHIYUPSYBEC-INIZCTEOSA-N 1 3 340.512 1.659 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266017 453525065 /nfs/dbraw/zinc/52/50/65/453525065.db2.gz JVFMMLPKFBDCTR-OAHLLOKOSA-N 1 3 332.448 1.253 20 0 EDADHO CN[C@@H](C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000655446963 453533584 /nfs/dbraw/zinc/53/35/84/453533584.db2.gz DACGRWMITCCEBL-HNNXBMFYSA-N 1 3 349.475 1.400 20 0 EDADHO CN[C@@H](C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000655446963 453533592 /nfs/dbraw/zinc/53/35/92/453533592.db2.gz DACGRWMITCCEBL-HNNXBMFYSA-N 1 3 349.475 1.400 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC1(F)F ZINC000665029164 453547652 /nfs/dbraw/zinc/54/76/52/453547652.db2.gz HOWSKOGPUHYNIR-KBPBESRZSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC1(F)F ZINC000665029164 453547657 /nfs/dbraw/zinc/54/76/57/453547657.db2.gz HOWSKOGPUHYNIR-KBPBESRZSA-N 1 3 334.455 1.993 20 0 EDADHO CCC(CC)(C[NH3+])C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859799 453575296 /nfs/dbraw/zinc/57/52/96/453575296.db2.gz OSLNPAFACWVPLH-QGZVFWFLSA-N 1 3 333.476 1.635 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CNCCO2)cc1 ZINC000662868553 453579896 /nfs/dbraw/zinc/57/98/96/453579896.db2.gz KNZBGYPEGBFXGT-BZSNNMDCSA-N 1 3 347.459 1.026 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000665291146 453637988 /nfs/dbraw/zinc/63/79/88/453637988.db2.gz VLEJNDCCRLHVSH-BBRMVZONSA-N 1 3 333.480 1.774 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665409362 453684302 /nfs/dbraw/zinc/68/43/02/453684302.db2.gz FGQJCEMUGUERAT-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665409362 453684305 /nfs/dbraw/zinc/68/43/05/453684305.db2.gz FGQJCEMUGUERAT-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000659286923 453702079 /nfs/dbraw/zinc/70/20/79/453702079.db2.gz HNYDPYWBKCJYAL-UHFFFAOYSA-N 1 3 345.487 1.947 20 0 EDADHO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665555773 453748059 /nfs/dbraw/zinc/74/80/59/453748059.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 1 3 340.512 1.347 20 0 EDADHO C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665555773 453748064 /nfs/dbraw/zinc/74/80/64/453748064.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 1 3 340.512 1.347 20 0 EDADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000663420504 453792949 /nfs/dbraw/zinc/79/29/49/453792949.db2.gz PTOJENIOGBGPFR-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO COc1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000663420504 453792951 /nfs/dbraw/zinc/79/29/51/453792951.db2.gz PTOJENIOGBGPFR-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nc3c(s2)CNCC3)CC1 ZINC000663496230 453810252 /nfs/dbraw/zinc/81/02/52/453810252.db2.gz DVBIZHORDXYGAL-SUMWQHHRSA-N 1 3 336.505 1.507 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415635048 486758223 /nfs/dbraw/zinc/75/82/23/486758223.db2.gz AWAZCWDJNJGQJX-GJZGRUSLSA-N 1 3 332.448 1.381 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCSc2ccc(F)cc2)C1 ZINC000387736721 486815447 /nfs/dbraw/zinc/81/54/47/486815447.db2.gz WEFKGDURTKWPDQ-CYBMUJFWSA-N 1 3 325.453 1.705 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCCO1 ZINC000667642208 486894796 /nfs/dbraw/zinc/89/47/96/486894796.db2.gz SIQBHJOZDKNGSX-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000681162129 486954861 /nfs/dbraw/zinc/95/48/61/486954861.db2.gz YOEORJFYFRCBNC-JKSUJKDBSA-N 1 3 339.528 1.042 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(CO)cc1 ZINC000667812401 486977039 /nfs/dbraw/zinc/97/70/39/486977039.db2.gz LTDGNHVILVGZAI-SFHVURJKSA-N 1 3 333.476 1.667 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(CO)cc1 ZINC000667812401 486977043 /nfs/dbraw/zinc/97/70/43/486977043.db2.gz LTDGNHVILVGZAI-SFHVURJKSA-N 1 3 333.476 1.667 20 0 EDADHO C[C@@H](NC(=O)NCCN1CCN(C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000685048187 487221572 /nfs/dbraw/zinc/22/15/72/487221572.db2.gz KXQALQDNWYTBAT-OAHLLOKOSA-N 1 3 339.528 1.042 20 0 EDADHO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](C)N(C)C)CC1 ZINC000674245711 487222772 /nfs/dbraw/zinc/22/27/72/487222772.db2.gz UYRJNMDMQMDEHX-INIZCTEOSA-N 1 3 332.492 1.390 20 0 EDADHO COC1CCN(CCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000674327999 487237561 /nfs/dbraw/zinc/23/75/61/487237561.db2.gz JREMCNDRICZSJX-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1C[C@H](NCCOc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000678699397 487353321 /nfs/dbraw/zinc/35/33/21/487353321.db2.gz NPRQAAVNYZYJCF-UKRRQHHQSA-N 1 3 341.477 1.509 20 0 EDADHO C[C@@H]1C[C@H](NCCOc2ccc(NS(C)(=O)=O)cc2)CC[N@H+]1C ZINC000678699397 487353325 /nfs/dbraw/zinc/35/33/25/487353325.db2.gz NPRQAAVNYZYJCF-UKRRQHHQSA-N 1 3 341.477 1.509 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000679326350 487415045 /nfs/dbraw/zinc/41/50/45/487415045.db2.gz UZVFCTCTRSKFBZ-DOTOQJQBSA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326350 487415048 /nfs/dbraw/zinc/41/50/48/487415048.db2.gz UZVFCTCTRSKFBZ-DOTOQJQBSA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326350 487415051 /nfs/dbraw/zinc/41/50/51/487415051.db2.gz UZVFCTCTRSKFBZ-DOTOQJQBSA-N 1 3 339.505 1.426 20 0 EDADHO C[C@@H](NCC(=O)N1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782259 487443719 /nfs/dbraw/zinc/44/37/19/487443719.db2.gz PKPWKHWDZQEJDW-MRXNPFEDSA-N 1 3 348.491 1.052 20 0 EDADHO NC(=O)c1ccccc1N1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000675845275 487451417 /nfs/dbraw/zinc/45/14/17/487451417.db2.gz AMGJNMZMTBAUGQ-QGZVFWFLSA-N 1 3 342.487 1.828 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000679721155 487461527 /nfs/dbraw/zinc/46/15/27/487461527.db2.gz IODBYOFUQLYCDK-INIZCTEOSA-N 1 3 334.464 1.625 20 0 EDADHO OCC1(NCC2(C[NH2+]C3(CO)CCCCC3)COC2)CCCCC1 ZINC000679853866 487468853 /nfs/dbraw/zinc/46/88/53/487468853.db2.gz NYNRUBHXOHGHPE-UHFFFAOYSA-N 1 3 340.508 1.573 20 0 EDADHO COc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc2n1 ZINC000668302308 485581369 /nfs/dbraw/zinc/58/13/69/485581369.db2.gz DKJIYNYFYGUPCI-UHFFFAOYSA-N 1 3 344.459 1.809 20 0 EDADHO [NH3+]C/C=C\CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000669570382 485589472 /nfs/dbraw/zinc/58/94/72/485589472.db2.gz CNXZVBYEEKUCCM-VGOKWCNXSA-N 1 3 332.448 1.092 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648096 /nfs/dbraw/zinc/64/80/96/485648096.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648102 /nfs/dbraw/zinc/64/81/02/485648102.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000669139227 485729688 /nfs/dbraw/zinc/72/96/88/485729688.db2.gz QJYWIZKXQZQVLL-IAGOWNOFSA-N 1 3 346.475 1.378 20 0 EDADHO COc1cccc([C@H](CNC(=O)NC2CC[NH2+]CC2)N2CCCC2)c1 ZINC000668677989 486032980 /nfs/dbraw/zinc/03/29/80/486032980.db2.gz AGVMPUPCYZTYJJ-SFHVURJKSA-N 1 3 346.475 1.883 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669420339 486141258 /nfs/dbraw/zinc/14/12/58/486141258.db2.gz JMSWMGBXPTXSFV-WNRNVDISSA-N 1 3 328.460 1.416 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCO1 ZINC000668490920 491180723 /nfs/dbraw/zinc/18/07/23/491180723.db2.gz IWVFKVCQTYCABT-RYQLBKOJSA-N 1 3 346.475 1.581 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188738066 526330135 /nfs/dbraw/zinc/33/01/35/526330135.db2.gz UENWPUBUQFVCBM-UHFFFAOYSA-N 1 3 343.471 1.941 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000155074296 529014031 /nfs/dbraw/zinc/01/40/31/529014031.db2.gz UXMVSOFVKDMNOA-INIZCTEOSA-N 1 3 348.491 1.872 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000155074296 529014037 /nfs/dbraw/zinc/01/40/37/529014037.db2.gz UXMVSOFVKDMNOA-INIZCTEOSA-N 1 3 348.491 1.872 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187121770 529144957 /nfs/dbraw/zinc/14/49/57/529144957.db2.gz JNRSVGIEWSPSPZ-UHFFFAOYSA-N 1 3 344.503 1.713 20 0 EDADHO CC[NH+](CC)CCNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000347908174 535533140 /nfs/dbraw/zinc/53/31/40/535533140.db2.gz HAUQYWHGLNYIFD-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@H](C)[NH2+]C)no2)CC1=O ZINC000261902959 535550927 /nfs/dbraw/zinc/55/09/27/535550927.db2.gz YTDZVUFHKILHFW-MELADBBJSA-N 1 3 335.452 1.020 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262631380 535738819 /nfs/dbraw/zinc/73/88/19/535738819.db2.gz FGTHCPBZCKDQFV-NUJGCVRESA-N 1 3 332.492 1.465 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261747110 535771235 /nfs/dbraw/zinc/77/12/35/535771235.db2.gz DZRBEERFOHUVPT-GOSISDBHSA-N 1 3 345.487 1.865 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261747110 535771238 /nfs/dbraw/zinc/77/12/38/535771238.db2.gz DZRBEERFOHUVPT-GOSISDBHSA-N 1 3 345.487 1.865 20 0 EDADHO C[N@H+](CCC1OCCO1)[C@@H]1CCCN(CCC2OCCO2)CC1 ZINC000125190898 536326183 /nfs/dbraw/zinc/32/61/83/536326183.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 1 3 328.453 1.299 20 0 EDADHO C[N@@H+](CCC1OCCO1)[C@@H]1CCCN(CCC2OCCO2)CC1 ZINC000125190898 536326184 /nfs/dbraw/zinc/32/61/84/536326184.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 1 3 328.453 1.299 20 0 EDADHO CN(CCC1OCCO1)[C@@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000125190898 536326185 /nfs/dbraw/zinc/32/61/85/536326185.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 1 3 328.453 1.299 20 0 EDADHO CN(CCC1OCCO1)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000125190898 536326186 /nfs/dbraw/zinc/32/61/86/536326186.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 1 3 328.453 1.299 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261880086 536449453 /nfs/dbraw/zinc/44/94/53/536449453.db2.gz PCMATPFXMKTWHK-QGZVFWFLSA-N 1 3 331.460 1.475 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCOCC1 ZINC000261880086 536449454 /nfs/dbraw/zinc/44/94/54/536449454.db2.gz PCMATPFXMKTWHK-QGZVFWFLSA-N 1 3 331.460 1.475 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000262823494 536560675 /nfs/dbraw/zinc/56/06/75/536560675.db2.gz XMSLQUZRNRWSFQ-INMHGKMJSA-N 1 3 341.496 1.088 20 0 EDADHO COc1ccccc1OCCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519295 537094484 /nfs/dbraw/zinc/09/44/84/537094484.db2.gz DIMQKHSTTWZNDQ-UHFFFAOYSA-N 1 3 349.475 1.464 20 0 EDADHO CN(C)CCNC(=S)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000729162797 578560505 /nfs/dbraw/zinc/56/05/05/578560505.db2.gz LYFBBYNLLFGQRL-UHFFFAOYSA-N 1 3 338.521 1.195 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448213 578712748 /nfs/dbraw/zinc/71/27/48/578712748.db2.gz FPZAHNAHLSCBNY-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC000734453150 578815424 /nfs/dbraw/zinc/81/54/24/578815424.db2.gz NEIHVYUYFNACAS-GOSISDBHSA-N 1 3 336.524 1.491 20 0 EDADHO CC(C)(C)OC(=O)NC[C@](C)(NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434558 579726651 /nfs/dbraw/zinc/72/66/51/579726651.db2.gz ATVFQSHXEVSPQU-QAPCUYQASA-N 1 3 341.496 1.726 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@H]1CCOC1 ZINC000749688539 579735192 /nfs/dbraw/zinc/73/51/92/579735192.db2.gz RMAFLEUEFBBWMH-CVEARBPZSA-N 1 3 342.553 1.245 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NC[C@H]1CCOC1 ZINC000749688539 579735193 /nfs/dbraw/zinc/73/51/93/579735193.db2.gz RMAFLEUEFBBWMH-CVEARBPZSA-N 1 3 342.553 1.245 20 0 EDADHO O[C@@H](CN1CCC[C@@H]1Cn1cnc2ccccc21)C[NH+]1CCCC1 ZINC000769919707 580248492 /nfs/dbraw/zinc/24/84/92/580248492.db2.gz KYRDKXPZAJWPFV-IAGOWNOFSA-N 1 3 328.460 1.957 20 0 EDADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775372660 580389419 /nfs/dbraw/zinc/38/94/19/580389419.db2.gz FTCYSTJIITXBAA-OAGGEKHMSA-N 1 3 329.579 1.983 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOCCSC ZINC000793426586 580843891 /nfs/dbraw/zinc/84/38/91/580843891.db2.gz TUXHJFXWVCHWHD-CQSZACIVSA-N 1 3 332.514 1.339 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NOCCSC ZINC000793426586 580843892 /nfs/dbraw/zinc/84/38/92/580843892.db2.gz TUXHJFXWVCHWHD-CQSZACIVSA-N 1 3 332.514 1.339 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1c1ccncc1 ZINC000891977473 590719954 /nfs/dbraw/zinc/71/99/54/590719954.db2.gz KUWZNWBSEMNDBF-OAHLLOKOSA-N 1 3 331.464 1.963 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893328040 590782200 /nfs/dbraw/zinc/78/22/00/590782200.db2.gz RRMOXBCZTMYEJK-HOTGVXAUSA-N 1 3 329.460 1.237 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)C[C@@H]1C(F)(F)F ZINC000892086016 590790475 /nfs/dbraw/zinc/79/04/75/590790475.db2.gz FYQGXFFHIFBOSZ-KBPBESRZSA-N 1 3 342.365 1.568 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1c1ccncc1 ZINC000892090758 590794177 /nfs/dbraw/zinc/79/41/77/590794177.db2.gz HYOXNBQREIRFFH-PBHICJAKSA-N 1 3 331.464 1.819 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CNCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC000892157296 590829263 /nfs/dbraw/zinc/82/92/63/590829263.db2.gz XDFLPZLNISBXHA-GXTWGEPZSA-N 1 3 339.390 1.299 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CNCCC2(F)F)CCN1c1cc[nH+]cc1 ZINC000892157297 590829388 /nfs/dbraw/zinc/82/93/88/590829388.db2.gz XDFLPZLNISBXHA-JSGCOSHPSA-N 1 3 339.390 1.299 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000892234983 590879505 /nfs/dbraw/zinc/87/95/05/590879505.db2.gz BNHRAMRDCXZWGV-SYQHCUMBSA-N 1 3 348.413 1.782 20 0 EDADHO CCn1cc(CNCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000892553115 591069238 /nfs/dbraw/zinc/06/92/38/591069238.db2.gz IBJZDIHKYLRILS-IBGZPJMESA-N 1 3 342.491 1.766 20 0 EDADHO CCn1cc(CNCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)nn1 ZINC000892553115 591069239 /nfs/dbraw/zinc/06/92/39/591069239.db2.gz IBJZDIHKYLRILS-IBGZPJMESA-N 1 3 342.491 1.766 20 0 EDADHO CCn1cc(CNCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000892553120 591069372 /nfs/dbraw/zinc/06/93/72/591069372.db2.gz IBJZDIHKYLRILS-LJQANCHMSA-N 1 3 342.491 1.766 20 0 EDADHO CCn1cc(CNCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)nn1 ZINC000892553120 591069376 /nfs/dbraw/zinc/06/93/76/591069376.db2.gz IBJZDIHKYLRILS-LJQANCHMSA-N 1 3 342.491 1.766 20 0 EDADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000891514758 591103702 /nfs/dbraw/zinc/10/37/02/591103702.db2.gz YWZJBVSYLCRSKS-RKVPGOIHSA-N 1 3 338.496 1.256 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534725 591111535 /nfs/dbraw/zinc/11/15/35/591111535.db2.gz QDPQUDKVFRMLGA-NLWGTHIKSA-N 1 3 344.503 1.752 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534725 591111538 /nfs/dbraw/zinc/11/15/38/591111538.db2.gz QDPQUDKVFRMLGA-NLWGTHIKSA-N 1 3 344.503 1.752 20 0 EDADHO C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N(C)Cc1ccccc1 ZINC000891538928 591113164 /nfs/dbraw/zinc/11/31/64/591113164.db2.gz XDZKZUXYUKWVJJ-VDZJLULYSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544534 591118427 /nfs/dbraw/zinc/11/84/27/591118427.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544534 591118428 /nfs/dbraw/zinc/11/84/28/591118428.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597409 591141674 /nfs/dbraw/zinc/14/16/74/591141674.db2.gz OSLKJMUFBRZLFA-RZLSGREXSA-N 1 3 334.489 1.887 20 0 EDADHO C[C@@]1(NC(=O)CC2(N3CCOCC3)CCCC2)C[NH+]2CCC1CC2 ZINC000892780365 591173173 /nfs/dbraw/zinc/17/31/73/591173173.db2.gz GXGQBOMAYBFMFJ-GOSISDBHSA-N 1 3 335.492 1.622 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000891672425 591178326 /nfs/dbraw/zinc/17/83/26/591178326.db2.gz ALNWGNOVQCIMIJ-DZJNRPSUSA-N 1 3 328.460 1.795 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800917 591228456 /nfs/dbraw/zinc/22/84/56/591228456.db2.gz WZWBONCSSHHFTO-KBXCAEBGSA-N 1 3 339.443 1.984 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800917 591228459 /nfs/dbraw/zinc/22/84/59/591228459.db2.gz WZWBONCSSHHFTO-KBXCAEBGSA-N 1 3 339.443 1.984 20 0 EDADHO CCOC(=O)c1cc(CNCCC[N@@H+]2CCCN(C)CC2)[nH]c1C ZINC000894378759 591295666 /nfs/dbraw/zinc/29/56/66/591295666.db2.gz VCKCYSLQKRSNCM-UHFFFAOYSA-N 1 3 336.480 1.617 20 0 EDADHO CCOC(=O)c1cc(CNCCC[N@H+]2CCCN(C)CC2)[nH]c1C ZINC000894378759 591295669 /nfs/dbraw/zinc/29/56/69/591295669.db2.gz VCKCYSLQKRSNCM-UHFFFAOYSA-N 1 3 336.480 1.617 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314257 /nfs/dbraw/zinc/31/42/57/591314257.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 1 3 338.496 1.080 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314261 /nfs/dbraw/zinc/31/42/61/591314261.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 1 3 338.496 1.080 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000894497503 591325048 /nfs/dbraw/zinc/32/50/48/591325048.db2.gz ZBDBPPHTNZOABZ-JTQLQIEISA-N 1 3 325.848 1.690 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nc(Cl)nc2nc[nH]c21 ZINC000894497503 591325051 /nfs/dbraw/zinc/32/50/51/591325051.db2.gz ZBDBPPHTNZOABZ-JTQLQIEISA-N 1 3 325.848 1.690 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000897481678 591487512 /nfs/dbraw/zinc/48/75/12/591487512.db2.gz HIAWTNGMUAXBBL-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000897481678 591487514 /nfs/dbraw/zinc/48/75/14/591487514.db2.gz HIAWTNGMUAXBBL-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515140 591515401 /nfs/dbraw/zinc/51/54/01/591515401.db2.gz JRTUQYPIPQXKCO-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+]1CCC(CN2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC1 ZINC000896746095 591600731 /nfs/dbraw/zinc/60/07/31/591600731.db2.gz WWPWFGMXQLVEBD-UHFFFAOYSA-N 1 3 329.448 1.732 20 0 EDADHO CCO[C@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+](C)C ZINC000896879950 591645369 /nfs/dbraw/zinc/64/53/69/591645369.db2.gz JIUFVJXFAMYXML-GDBMZVCRSA-N 1 3 342.505 1.750 20 0 EDADHO COc1ccc([C@H](NC(C)C)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000897909236 591717682 /nfs/dbraw/zinc/71/76/82/591717682.db2.gz SWUYCPPJASISIF-XWTMOSNGSA-N 1 3 331.460 1.753 20 0 EDADHO Cc1cnc2c(cnn2CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000899248015 591749003 /nfs/dbraw/zinc/74/90/03/591749003.db2.gz SPIWQZYNOBZJIA-HNNXBMFYSA-N 1 3 346.479 1.128 20 0 EDADHO Cc1cnc2c(cnn2CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000899248015 591749006 /nfs/dbraw/zinc/74/90/06/591749006.db2.gz SPIWQZYNOBZJIA-HNNXBMFYSA-N 1 3 346.479 1.128 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccccc1 ZINC000900018497 591869444 /nfs/dbraw/zinc/86/94/44/591869444.db2.gz IVSHJESJEGXOSY-MRXNPFEDSA-N 1 3 329.448 1.477 20 0 EDADHO CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000898355890 591886883 /nfs/dbraw/zinc/88/68/83/591886883.db2.gz FEDWIHYFWOKCOI-ZFWWWQNUSA-N 1 3 327.469 1.288 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900173988 591938297 /nfs/dbraw/zinc/93/82/97/591938297.db2.gz FQXPKLLGOGEAFR-UHFFFAOYSA-N 1 3 347.459 1.806 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000902362903 591987025 /nfs/dbraw/zinc/98/70/25/591987025.db2.gz JBSDYYBPERFUCU-INIZCTEOSA-N 1 3 345.553 1.804 20 0 EDADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnn1CCN(C)C ZINC000900354172 591993419 /nfs/dbraw/zinc/99/34/19/591993419.db2.gz UXXIPUPRAJCPDI-XHSDSOJGSA-N 1 3 335.496 1.541 20 0 EDADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnn1CCN(C)C ZINC000900354172 591993422 /nfs/dbraw/zinc/99/34/22/591993422.db2.gz UXXIPUPRAJCPDI-XHSDSOJGSA-N 1 3 335.496 1.541 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522817 592010517 /nfs/dbraw/zinc/01/05/17/592010517.db2.gz YLEDCKZWZNTNAO-SDDRHHMPSA-N 1 3 325.844 1.521 20 0 EDADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442346 592019602 /nfs/dbraw/zinc/01/96/02/592019602.db2.gz QDKAZLDYUFMORR-IAGOWNOFSA-N 1 3 342.443 1.884 20 0 EDADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(NC2=NCCC2)cc1 ZINC000900442346 592019605 /nfs/dbraw/zinc/01/96/05/592019605.db2.gz QDKAZLDYUFMORR-IAGOWNOFSA-N 1 3 342.443 1.884 20 0 EDADHO CCS(=O)(=O)N(C)CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903068721 592118559 /nfs/dbraw/zinc/11/85/59/592118559.db2.gz LMFZOVRKWGHRHR-VHRNVKJDSA-N 1 3 329.510 1.405 20 0 EDADHO CCS(=O)(=O)N(C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903068721 592118560 /nfs/dbraw/zinc/11/85/60/592118560.db2.gz LMFZOVRKWGHRHR-VHRNVKJDSA-N 1 3 329.510 1.405 20 0 EDADHO CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@@]3(CN(C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112455 592122989 /nfs/dbraw/zinc/12/29/89/592122989.db2.gz NHOLBEMEWVEJTD-ZISVNPBTSA-N 1 3 338.492 1.788 20 0 EDADHO COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(CN(C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117571 592123349 /nfs/dbraw/zinc/12/33/49/592123349.db2.gz VCASXRBFYADKIO-CBZIJGRNSA-N 1 3 339.480 1.287 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000900908121 592167982 /nfs/dbraw/zinc/16/79/82/592167982.db2.gz MWAKVAYGJOTHIL-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000900908121 592167984 /nfs/dbraw/zinc/16/79/84/592167984.db2.gz MWAKVAYGJOTHIL-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903442006 592172238 /nfs/dbraw/zinc/17/22/38/592172238.db2.gz FOJQMSMRCFMLDM-BDXSIMOUSA-N 1 3 336.524 1.426 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000900958498 592185423 /nfs/dbraw/zinc/18/54/23/592185423.db2.gz JMRYSIWRWURZFD-QZTJIDSGSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCc2nc3ccccc3s2)C[C@H]1CC[NH3+] ZINC000903496918 592188355 /nfs/dbraw/zinc/18/83/55/592188355.db2.gz KEEVRJWBGRFUOB-ZIAGYGMSSA-N 1 3 346.500 1.872 20 0 EDADHO C[C@@]1(CN2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378936 592244810 /nfs/dbraw/zinc/24/48/10/592244810.db2.gz MWGFNTZATSUOJN-VQIMIIECSA-N 1 3 346.523 1.388 20 0 EDADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000904506039 592273824 /nfs/dbraw/zinc/27/38/24/592273824.db2.gz IGLDYARPFAKSTA-ROUUACIJSA-N 1 3 344.459 1.395 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cn2)CC1 ZINC000904529299 592280120 /nfs/dbraw/zinc/28/01/20/592280120.db2.gz DYJFFTKXKSKKBF-GUYCJALGSA-N 1 3 332.452 1.413 20 0 EDADHO CCCCN(C)C(=O)C1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722397 592283795 /nfs/dbraw/zinc/28/37/95/592283795.db2.gz LVUKSVOZPDZYFL-HKUYNNGSSA-N 1 3 337.508 1.726 20 0 EDADHO NC(=O)c1ccc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725458 592285331 /nfs/dbraw/zinc/28/53/31/592285331.db2.gz ZVVDJUPHOUVNSX-IEBWSBKVSA-N 1 3 329.444 1.519 20 0 EDADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903730833 592287276 /nfs/dbraw/zinc/28/72/76/592287276.db2.gz ZXGIBHBTUGXDPE-FRQCXROJSA-N 1 3 337.508 1.629 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC(C)(C)C2)c1 ZINC000906721590 592292939 /nfs/dbraw/zinc/29/29/39/592292939.db2.gz MXWFIMRYRQVWDI-UHFFFAOYSA-N 1 3 332.448 1.193 20 0 EDADHO Fc1cccc([C@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747756 592294280 /nfs/dbraw/zinc/29/42/80/592294280.db2.gz WOIACJRKKFHPSR-ZWKOTPCHSA-N 1 3 333.451 1.931 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736797 592298955 /nfs/dbraw/zinc/29/89/55/592298955.db2.gz NAQZPYNKIYDIMQ-PJVZLEMVSA-N 1 3 337.508 1.329 20 0 EDADHO CC(C)C[C@H](NC(=O)Nc1ccccc1C[NH3+])C(=O)NCCN(C)C ZINC000904649544 592304136 /nfs/dbraw/zinc/30/41/36/592304136.db2.gz UOPILPYQRSADTL-INIZCTEOSA-N 1 3 349.479 1.359 20 0 EDADHO CN1CCN(Cc2ccccc2-c2cnc3n2C[C@@H]([NH3+])CC3)CC1 ZINC000904804626 592329313 /nfs/dbraw/zinc/32/93/13/592329313.db2.gz DWYOFGBBPSADOQ-INIZCTEOSA-N 1 3 325.460 1.571 20 0 EDADHO Cn1cc([C@@H]2CSCCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829629 592335392 /nfs/dbraw/zinc/33/53/92/592335392.db2.gz IOWUZJFPWAFQGK-YESZJQIVSA-N 1 3 336.505 1.669 20 0 EDADHO COc1ccccc1N1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830090 592336237 /nfs/dbraw/zinc/33/62/37/592336237.db2.gz SGCLEKNQUCUJKB-INIZCTEOSA-N 1 3 331.460 1.586 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCCN(C[C@H]3CCCO3)CC2)cnn1C ZINC000903880081 592360796 /nfs/dbraw/zinc/36/07/96/592360796.db2.gz NYCPRMPGNFAICL-PKOBYXMFSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893178 592365943 /nfs/dbraw/zinc/36/59/43/592365943.db2.gz RXSMLXKFFHWSGI-OXQOHEQNSA-N 1 3 342.487 1.828 20 0 EDADHO Cc1ccc(C[C@H](CO)NCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903928157 592380784 /nfs/dbraw/zinc/38/07/84/592380784.db2.gz WNUYPNXEIBVRHE-SJORKVTESA-N 1 3 329.448 1.204 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)C1(O)CCOCC1 ZINC000905050564 592380983 /nfs/dbraw/zinc/38/09/83/592380983.db2.gz PKTUJONNWWAYLJ-SFHVURJKSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)C1(O)CCOCC1 ZINC000905050564 592380989 /nfs/dbraw/zinc/38/09/89/592380989.db2.gz PKTUJONNWWAYLJ-SFHVURJKSA-N 1 3 336.476 1.519 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)C2(O)CCOCC2)CC1 ZINC000905122483 592417731 /nfs/dbraw/zinc/41/77/31/592417731.db2.gz PHFVUWJQVHIOBG-LPHOPBHVSA-N 1 3 348.487 1.704 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240870 592484829 /nfs/dbraw/zinc/48/48/29/592484829.db2.gz AVWGVANQUHCOOG-GBESFXJTSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240870 592484831 /nfs/dbraw/zinc/48/48/31/592484831.db2.gz AVWGVANQUHCOOG-GBESFXJTSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410226 592524230 /nfs/dbraw/zinc/52/42/30/592524230.db2.gz UJUROCPEHKBSDJ-SJORKVTESA-N 1 3 326.481 1.276 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410226 592524233 /nfs/dbraw/zinc/52/42/33/592524233.db2.gz UJUROCPEHKBSDJ-SJORKVTESA-N 1 3 326.481 1.276 20 0 EDADHO CC(C)(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)N1CCCCC1 ZINC000905436172 592534198 /nfs/dbraw/zinc/53/41/98/592534198.db2.gz LRSCGWWBDXXSNZ-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285860 592584498 /nfs/dbraw/zinc/58/44/98/592584498.db2.gz OUGICXJNDSAHFZ-JKSUJKDBSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285860 592584500 /nfs/dbraw/zinc/58/45/00/592584500.db2.gz OUGICXJNDSAHFZ-JKSUJKDBSA-N 1 3 347.507 1.828 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690495 592605659 /nfs/dbraw/zinc/60/56/59/592605659.db2.gz PYZBIIUIGPDPKV-YDHLFZDLSA-N 1 3 327.469 1.334 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690495 592605662 /nfs/dbraw/zinc/60/56/62/592605662.db2.gz PYZBIIUIGPDPKV-YDHLFZDLSA-N 1 3 327.469 1.334 20 0 EDADHO c1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)n1)CCCC2 ZINC000905701434 592615020 /nfs/dbraw/zinc/61/50/20/592615020.db2.gz ZTGMNJRXXZBMCG-IYBDPMFKSA-N 1 3 327.476 1.760 20 0 EDADHO c1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)n1)CCCC2 ZINC000905701434 592615021 /nfs/dbraw/zinc/61/50/21/592615021.db2.gz ZTGMNJRXXZBMCG-IYBDPMFKSA-N 1 3 327.476 1.760 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000907456716 592665177 /nfs/dbraw/zinc/66/51/77/592665177.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000907456716 592665179 /nfs/dbraw/zinc/66/51/79/592665179.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 1 3 336.524 1.536 20 0 EDADHO CC[C@](O)(CN(C)CC1CC[NH+](C[C@H](C)O)CC1)C(F)(F)F ZINC000905934187 592687914 /nfs/dbraw/zinc/68/79/14/592687914.db2.gz RKQMKGBIIUEFKC-JSGCOSHPSA-N 1 3 326.403 1.714 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000907755364 592779003 /nfs/dbraw/zinc/77/90/03/592779003.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000907755364 592779005 /nfs/dbraw/zinc/77/90/05/592779005.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000911892342 593032114 /nfs/dbraw/zinc/03/21/14/593032114.db2.gz KBMASEZRIVDDJA-IPMKNSEASA-N 1 3 345.487 1.829 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000911892342 593032115 /nfs/dbraw/zinc/03/21/15/593032115.db2.gz KBMASEZRIVDDJA-IPMKNSEASA-N 1 3 345.487 1.829 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874401 593485039 /nfs/dbraw/zinc/48/50/39/593485039.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000811874401 593485040 /nfs/dbraw/zinc/48/50/40/593485040.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817902654 593647256 /nfs/dbraw/zinc/64/72/56/593647256.db2.gz WIKFUEVJGSSXBB-ZYHUDNBSSA-N 1 3 343.415 1.408 20 0 EDADHO COC[C@]1(c2nc(-c3cccc(OCCN(C)C)c3)no2)CC[NH2+]C1 ZINC000822802773 594103134 /nfs/dbraw/zinc/10/31/34/594103134.db2.gz BCEVVHHYDQFRKD-SFHVURJKSA-N 1 3 346.431 1.555 20 0 EDADHO C[C@@H](c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1)[C@H](C)[NH3+] ZINC000822951288 594127399 /nfs/dbraw/zinc/12/73/99/594127399.db2.gz PEGUPHPKTQCRHA-OLZOCXBDSA-N 1 3 330.436 1.724 20 0 EDADHO C[C@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@H]1N1CCN(C)CC1 ZINC000831267931 594595561 /nfs/dbraw/zinc/59/55/61/594595561.db2.gz SANYYYZRAGNHAQ-DLBZAZTESA-N 1 3 339.528 1.173 20 0 EDADHO CCC[NH2+]CCNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000841018056 594839633 /nfs/dbraw/zinc/83/96/33/594839633.db2.gz OVKBLVVPYONGHG-UHFFFAOYSA-N 1 3 333.480 1.950 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385524 594891192 /nfs/dbraw/zinc/89/11/92/594891192.db2.gz CZQNWIXCOJUJBX-FGTMMUONSA-N 1 3 331.460 1.659 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833482 594959560 /nfs/dbraw/zinc/95/95/60/594959560.db2.gz ZQOFLCHCFUYOBL-FGTMMUONSA-N 1 3 328.460 1.607 20 0 EDADHO C[C@@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000841899677 594977565 /nfs/dbraw/zinc/97/75/65/594977565.db2.gz XRUNDHCDFUJPSG-HBFSDRIKSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944172 594986948 /nfs/dbraw/zinc/98/69/48/594986948.db2.gz BLVPAPVYMNOWMQ-IEBWSBKVSA-N 1 3 346.475 1.017 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000842266502 595060113 /nfs/dbraw/zinc/06/01/13/595060113.db2.gz AOGVWXBHOYMKCN-QGZVFWFLSA-N 1 3 348.491 1.340 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355405 595085413 /nfs/dbraw/zinc/08/54/13/595085413.db2.gz NDXRNZFYMWPWJN-RDHHWEPZSA-N 1 3 325.497 1.900 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000843358779 595087267 /nfs/dbraw/zinc/08/72/67/595087267.db2.gz MWWXAEHEXCDXLZ-UFYCRDLUSA-N 1 3 348.487 1.577 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844180073 595294141 /nfs/dbraw/zinc/29/41/41/595294141.db2.gz SKRMLJZAODLALY-MRXNPFEDSA-N 1 3 346.475 1.900 20 0 EDADHO CN(CC(F)F)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000844220990 595306379 /nfs/dbraw/zinc/30/63/79/595306379.db2.gz GMVXPTVPAMQBEA-IRXDYDNUSA-N 1 3 341.446 1.579 20 0 EDADHO COc1cc(-c2noc(CC[NH2+]C3CC3)n2)ccc1OCCN(C)C ZINC000848625815 595418895 /nfs/dbraw/zinc/41/88/95/595418895.db2.gz YJQIEAUCGJAYDQ-UHFFFAOYSA-N 1 3 346.431 1.980 20 0 EDADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073767 595478395 /nfs/dbraw/zinc/47/83/95/595478395.db2.gz BQVUUAOJHKFGCX-LSDHHAIUSA-N 1 3 346.431 1.647 20 0 EDADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc21 ZINC000852797741 595547694 /nfs/dbraw/zinc/54/76/94/595547694.db2.gz AKIDEEHYAOTLCZ-KSZLIROESA-N 1 3 343.471 1.658 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551727 /nfs/dbraw/zinc/55/17/27/595551727.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551731 /nfs/dbraw/zinc/55/17/31/595551731.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540371 595559377 /nfs/dbraw/zinc/55/93/77/595559377.db2.gz FIGCIYOEPXEPNE-QZTJIDSGSA-N 1 3 349.523 1.692 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849555645 595566145 /nfs/dbraw/zinc/56/61/45/595566145.db2.gz XTQXPYOJBIFYBF-KURKYZTESA-N 1 3 347.507 1.398 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555646 595566570 /nfs/dbraw/zinc/56/65/70/595566570.db2.gz XTQXPYOJBIFYBF-KZNAEPCWSA-N 1 3 347.507 1.398 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1=NO[C@H](CN)C1 ZINC000852858961 595581085 /nfs/dbraw/zinc/58/10/85/595581085.db2.gz NGDMVFMKEJUROX-HNNXBMFYSA-N 1 3 348.447 1.127 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849583033 595581724 /nfs/dbraw/zinc/58/17/24/595581724.db2.gz QYCQEFXQZVSQRB-IRXDYDNUSA-N 1 3 347.507 1.398 20 0 EDADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861743 595583281 /nfs/dbraw/zinc/58/32/81/595583281.db2.gz IIKAZBGLCZKIDS-HOTGVXAUSA-N 1 3 330.432 1.118 20 0 EDADHO NC[C@@H]1CC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)=NO1 ZINC000852861743 595583285 /nfs/dbraw/zinc/58/32/85/595583285.db2.gz IIKAZBGLCZKIDS-HOTGVXAUSA-N 1 3 330.432 1.118 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587438 /nfs/dbraw/zinc/58/74/38/595587438.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587440 /nfs/dbraw/zinc/58/74/40/595587440.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 1 3 349.523 1.692 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000852872091 595591615 /nfs/dbraw/zinc/59/16/15/595591615.db2.gz HVRLCVKJAZQWQG-OAHLLOKOSA-N 1 3 345.447 1.179 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879615 595595024 /nfs/dbraw/zinc/59/50/24/595595024.db2.gz GBLQZFBDEYEPQD-DZGCQCFKSA-N 1 3 327.350 1.532 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000852887124 595599579 /nfs/dbraw/zinc/59/95/79/595599579.db2.gz GCGXSLYLSHMNPT-IBGZPJMESA-N 1 3 343.471 1.704 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCn4cncc43)CC2)CC1 ZINC000857979329 595674156 /nfs/dbraw/zinc/67/41/56/595674156.db2.gz WBRKKTGYZNRPGP-QGZVFWFLSA-N 1 3 345.491 1.640 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CNCCC1(F)F ZINC000851665979 595876160 /nfs/dbraw/zinc/87/61/60/595876160.db2.gz CPMYDOARYUXACJ-CQSZACIVSA-N 1 3 330.423 1.405 20 0 EDADHO CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)ccn1 ZINC000856638633 596041552 /nfs/dbraw/zinc/04/15/52/596041552.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 1 3 348.491 1.853 20 0 EDADHO CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)ccn1 ZINC000856638633 596041555 /nfs/dbraw/zinc/04/15/55/596041555.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 1 3 348.491 1.853 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044904 /nfs/dbraw/zinc/04/49/04/596044904.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 1 3 341.496 1.945 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2 ZINC000852104789 596044907 /nfs/dbraw/zinc/04/49/07/596044907.db2.gz FUHAXTLHDWIWFV-SFHVURJKSA-N 1 3 341.496 1.945 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000864610285 596281640 /nfs/dbraw/zinc/28/16/40/596281640.db2.gz MSNSPQNBNFJCKT-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000864610285 596281642 /nfs/dbraw/zinc/28/16/42/596281642.db2.gz MSNSPQNBNFJCKT-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO Cc1cccc(OCCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866709528 596303492 /nfs/dbraw/zinc/30/34/92/596303492.db2.gz RWBYHBCEDUHDAW-UAGQMJEPSA-N 1 3 331.416 1.241 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000866712824 596305647 /nfs/dbraw/zinc/30/56/47/596305647.db2.gz YKCYLAFKWUQHBT-OGWHTMIXSA-N 1 3 341.455 1.973 20 0 EDADHO CN(C)C1(CNC(=O)CCC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000870892426 596392370 /nfs/dbraw/zinc/39/23/70/596392370.db2.gz JRIURJVWKDUXLI-UHFFFAOYSA-N 1 3 327.472 1.734 20 0 EDADHO COCC[C@@H](CNC[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456660 596581126 /nfs/dbraw/zinc/58/11/26/596581126.db2.gz PKEDVESJYNYXGX-CABCVRRESA-N 1 3 329.485 1.848 20 0 EDADHO COCC[C@@H](CNC[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456660 596581128 /nfs/dbraw/zinc/58/11/28/596581128.db2.gz PKEDVESJYNYXGX-CABCVRRESA-N 1 3 329.485 1.848 20 0 EDADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867987270 596645584 /nfs/dbraw/zinc/64/55/84/596645584.db2.gz JBBDDCFXENKPDI-BLLLJJGKSA-N 1 3 340.431 1.641 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225282 596734677 /nfs/dbraw/zinc/73/46/77/596734677.db2.gz QBIVZYHHXASDJM-RRQGHBQHSA-N 1 3 344.459 1.430 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000874830033 597188645 /nfs/dbraw/zinc/18/86/45/597188645.db2.gz PYXOXLHVOQZFAI-YESZJQIVSA-N 1 3 337.533 1.899 20 0 EDADHO O=C([C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1)N1CCOCC1 ZINC000873202417 597225508 /nfs/dbraw/zinc/22/55/08/597225508.db2.gz QVFYEZZMSVJRNZ-CQSZACIVSA-N 1 3 349.500 1.465 20 0 EDADHO O=C([C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1)N1CCOCC1 ZINC000873202417 597225509 /nfs/dbraw/zinc/22/55/09/597225509.db2.gz QVFYEZZMSVJRNZ-CQSZACIVSA-N 1 3 349.500 1.465 20 0 EDADHO CC(=O)Nc1cccc2c1CN(C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873217942 597230513 /nfs/dbraw/zinc/23/05/13/597230513.db2.gz VKMNUJUAQYBYCJ-HNNXBMFYSA-N 1 3 344.459 1.200 20 0 EDADHO CC(=O)Nc1cccc2c1C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873217942 597230515 /nfs/dbraw/zinc/23/05/15/597230515.db2.gz VKMNUJUAQYBYCJ-HNNXBMFYSA-N 1 3 344.459 1.200 20 0 EDADHO CC(=O)Nc1cccc2c1C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873217942 597230516 /nfs/dbraw/zinc/23/05/16/597230516.db2.gz VKMNUJUAQYBYCJ-HNNXBMFYSA-N 1 3 344.459 1.200 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2O1 ZINC000876779064 597338092 /nfs/dbraw/zinc/33/80/92/597338092.db2.gz VJQBHTYQAVQBNM-BJZITVGISA-N 1 3 329.444 1.874 20 0 EDADHO COc1c(C)cnc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000877027474 597416151 /nfs/dbraw/zinc/41/61/51/597416151.db2.gz OIRZYFISSSKFFQ-INIZCTEOSA-N 1 3 332.492 1.965 20 0 EDADHO CN1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000877586980 597539151 /nfs/dbraw/zinc/53/91/51/597539151.db2.gz AJOJPLOAXQAADL-CYBMUJFWSA-N 1 3 336.307 1.566 20 0 EDADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000878426363 597601081 /nfs/dbraw/zinc/60/10/81/597601081.db2.gz ZJWOZWLLNOSIRX-BIENJYKASA-N 1 3 331.460 1.740 20 0 EDADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000884022634 597970578 /nfs/dbraw/zinc/97/05/78/597970578.db2.gz MNYSDFMSLGXFRW-INIZCTEOSA-N 1 3 331.416 1.661 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC[NH2+]C)c1 ZINC000884231895 598038291 /nfs/dbraw/zinc/03/82/91/598038291.db2.gz CZHWHLYJTHQWHP-SJORKVTESA-N 1 3 331.460 1.984 20 0 EDADHO CO[C@@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438566 598105162 /nfs/dbraw/zinc/10/51/62/598105162.db2.gz DXFIXMBXDUYVIS-STQMWFEESA-N 1 3 334.247 1.686 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)c1 ZINC000992925649 695457123 /nfs/dbraw/zinc/45/71/23/695457123.db2.gz LACAYHWDDGDUIX-IPMKNSEASA-N 1 3 345.487 1.571 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCCN1CCO ZINC000993628545 696292043 /nfs/dbraw/zinc/29/20/43/696292043.db2.gz HSCHUBDQZQRUGK-QAPCUYQASA-N 1 3 333.476 1.366 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCN1CCO ZINC000993800751 696377852 /nfs/dbraw/zinc/37/78/52/696377852.db2.gz AXFTZCWGTXOOMX-QAPCUYQASA-N 1 3 333.476 1.366 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCO ZINC000994482940 696923409 /nfs/dbraw/zinc/92/34/09/696923409.db2.gz FUSDULCCQNPWCZ-CRAIPNDOSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCO ZINC000994482940 696923411 /nfs/dbraw/zinc/92/34/11/696923411.db2.gz FUSDULCCQNPWCZ-CRAIPNDOSA-N 1 3 333.476 1.713 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000918217797 697140542 /nfs/dbraw/zinc/14/05/42/697140542.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000918217797 697140543 /nfs/dbraw/zinc/14/05/43/697140543.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000919627373 697304973 /nfs/dbraw/zinc/30/49/73/697304973.db2.gz KMEDOJFEIQJINJ-NVXWUHKLSA-N 1 3 336.480 1.023 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCOCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000919627373 697304975 /nfs/dbraw/zinc/30/49/75/697304975.db2.gz KMEDOJFEIQJINJ-NVXWUHKLSA-N 1 3 336.480 1.023 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673348 697479543 /nfs/dbraw/zinc/47/95/43/697479543.db2.gz GCMNWLNKKYPEED-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673348 697479545 /nfs/dbraw/zinc/47/95/45/697479545.db2.gz GCMNWLNKKYPEED-WBVHZDCISA-N 1 3 337.508 1.724 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031714746 697737497 /nfs/dbraw/zinc/73/74/97/697737497.db2.gz LYOATJKFLKKDED-OAHLLOKOSA-N 1 3 329.435 1.954 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031714746 697737499 /nfs/dbraw/zinc/73/74/99/697737499.db2.gz LYOATJKFLKKDED-OAHLLOKOSA-N 1 3 329.435 1.954 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715609 697741523 /nfs/dbraw/zinc/74/15/23/697741523.db2.gz XKBMEHNZGAOEJN-DLBZAZTESA-N 1 3 337.508 1.724 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715609 697741526 /nfs/dbraw/zinc/74/15/26/697741526.db2.gz XKBMEHNZGAOEJN-DLBZAZTESA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567373 701579719 /nfs/dbraw/zinc/57/97/19/701579719.db2.gz SEALGGKYIHTLFN-IRXDYDNUSA-N 1 3 336.524 1.203 20 0 EDADHO CC[C@H](C)CN1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567373 701579720 /nfs/dbraw/zinc/57/97/20/701579720.db2.gz SEALGGKYIHTLFN-IRXDYDNUSA-N 1 3 336.524 1.203 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC4CCCC4)C3)CC2)C1 ZINC000941666350 701620677 /nfs/dbraw/zinc/62/06/77/701620677.db2.gz WLERIHIBJZTUKK-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(C3CN(CCC4CCCC4)C3)CC2)C1 ZINC000941666350 701620678 /nfs/dbraw/zinc/62/06/78/701620678.db2.gz WLERIHIBJZTUKK-GOSISDBHSA-N 1 3 348.535 1.347 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)C1CC1 ZINC000940148677 700281642 /nfs/dbraw/zinc/28/16/42/700281642.db2.gz CMPKESKSSKFDMH-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000940427196 700621253 /nfs/dbraw/zinc/62/12/53/700621253.db2.gz CCJIHMBPWJDXPP-UHFFFAOYSA-N 1 3 332.448 1.550 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977099 /nfs/dbraw/zinc/97/70/99/700977099.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 1 3 335.492 1.475 20 0 EDADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977100 /nfs/dbraw/zinc/97/71/00/700977100.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 1 3 335.492 1.475 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)c1 ZINC000941237569 701428155 /nfs/dbraw/zinc/42/81/55/701428155.db2.gz PCPXLWQVGRETEY-QGZVFWFLSA-N 1 3 333.476 1.571 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCO)CC2(C)C)c1 ZINC000941237569 701428157 /nfs/dbraw/zinc/42/81/57/701428157.db2.gz PCPXLWQVGRETEY-QGZVFWFLSA-N 1 3 333.476 1.571 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2ccns2)C1 ZINC000999177362 706619760 /nfs/dbraw/zinc/61/97/60/706619760.db2.gz XZPVDHSHYDVZRF-ZBFHGGJFSA-N 1 3 334.489 1.566 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871359 702174991 /nfs/dbraw/zinc/17/49/91/702174991.db2.gz KSVIQZVOLGWCOQ-IAGOWNOFSA-N 1 3 347.507 1.584 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)C1CC1 ZINC000995894765 702197445 /nfs/dbraw/zinc/19/74/45/702197445.db2.gz KWGNEMSVBZBNPL-IAGOWNOFSA-N 1 3 347.507 1.129 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886870 702223390 /nfs/dbraw/zinc/22/33/90/702223390.db2.gz OJJHBOJQSMDDCS-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995886870 702223394 /nfs/dbraw/zinc/22/33/94/702223394.db2.gz OJJHBOJQSMDDCS-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)N(C)C ZINC000995954876 702319080 /nfs/dbraw/zinc/31/90/80/702319080.db2.gz YEXXHISGPJMTBJ-CVEARBPZSA-N 1 3 335.496 1.395 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@@H]3CCCCO3)C2)CC1 ZINC001015929924 702320222 /nfs/dbraw/zinc/32/02/22/702320222.db2.gz FMXWCJUVWCZDNP-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1)[NH+](C)C ZINC000996249727 702652067 /nfs/dbraw/zinc/65/20/67/702652067.db2.gz SPTNAQVXRPVXEF-JKSUJKDBSA-N 1 3 335.496 1.333 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302686 702694944 /nfs/dbraw/zinc/69/49/44/702694944.db2.gz YSVQHJLAZCOQSE-WBVHZDCISA-N 1 3 347.507 1.131 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)N(C)C ZINC000996316061 702704142 /nfs/dbraw/zinc/70/41/42/702704142.db2.gz WHYXXPAMDSZZME-JKSUJKDBSA-N 1 3 348.491 1.757 20 0 EDADHO Cc1cncc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)c1 ZINC000996520211 702855945 /nfs/dbraw/zinc/85/59/45/702855945.db2.gz OFHJCPHADDSDHL-QGZVFWFLSA-N 1 3 342.487 1.812 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520227 702856173 /nfs/dbraw/zinc/85/61/73/702856173.db2.gz OHICZEHDKDHXFO-INIZCTEOSA-N 1 3 345.491 1.151 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cccnc1 ZINC000996520178 702856193 /nfs/dbraw/zinc/85/61/93/702856193.db2.gz NWOREAOLLCXKSS-MRXNPFEDSA-N 1 3 328.460 1.504 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)ncn1 ZINC000996674203 702969364 /nfs/dbraw/zinc/96/93/64/702969364.db2.gz ASFLGPCCOHYWOH-QGZVFWFLSA-N 1 3 331.464 1.206 20 0 EDADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H]2CCOC2)cc1 ZINC001032684432 706715722 /nfs/dbraw/zinc/71/57/22/706715722.db2.gz QAYYYHLUPSANGX-WDSOQIARSA-N 1 3 343.471 1.683 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001032026389 703053405 /nfs/dbraw/zinc/05/34/05/703053405.db2.gz CUTIMHPQBROWLJ-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2OCC(=O)OC)CC1 ZINC000921528626 703386764 /nfs/dbraw/zinc/38/67/64/703386764.db2.gz HDWGVYGBCNOEBL-INIZCTEOSA-N 1 3 349.475 1.354 20 0 EDADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2cccnc2)CC1 ZINC000997390365 703657813 /nfs/dbraw/zinc/65/78/13/703657813.db2.gz ODAQHJCUUTWNGA-MRXNPFEDSA-N 1 3 342.487 1.894 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997611417 703911139 /nfs/dbraw/zinc/91/11/39/703911139.db2.gz FLPAWRFZBLGMJG-LJQANCHMSA-N 1 3 345.487 1.601 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000997774855 704680447 /nfs/dbraw/zinc/68/04/47/704680447.db2.gz HSEMWGJTOYQRCV-KRWDZBQOSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000997774855 704680448 /nfs/dbraw/zinc/68/04/48/704680448.db2.gz HSEMWGJTOYQRCV-KRWDZBQOSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3nccs3)CC2)CC[N@@H+]1C ZINC000997784349 704688162 /nfs/dbraw/zinc/68/81/62/704688162.db2.gz DHZDDGWABDLGSZ-UKRRQHHQSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3nccs3)CC2)CC[N@H+]1C ZINC000997784349 704688164 /nfs/dbraw/zinc/68/81/64/704688164.db2.gz DHZDDGWABDLGSZ-UKRRQHHQSA-N 1 3 336.505 1.812 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1)[NH+]1CCCC1 ZINC001032557896 704735497 /nfs/dbraw/zinc/73/54/97/704735497.db2.gz VLTUZEZVMODQQM-IRXDYDNUSA-N 1 3 335.492 1.573 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000997831603 704749765 /nfs/dbraw/zinc/74/97/65/704749765.db2.gz VUXDUKJAIVXHLD-QGZVFWFLSA-N 1 3 337.508 1.726 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)N(C)C ZINC000997854370 704766342 /nfs/dbraw/zinc/76/63/42/704766342.db2.gz CHTQFOHKTNWGRW-QGZVFWFLSA-N 1 3 336.455 1.889 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ncn2)CC1)N(C)C ZINC000997857146 704769893 /nfs/dbraw/zinc/76/98/93/704769893.db2.gz WUVNMCIPYDPJSN-QGZVFWFLSA-N 1 3 333.480 1.453 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082074 705308790 /nfs/dbraw/zinc/30/87/90/705308790.db2.gz NNHQOZQBZLFGDJ-AEFFLSMTSA-N 1 3 337.508 1.868 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083137 705311696 /nfs/dbraw/zinc/31/16/96/705311696.db2.gz VNOASFTZZHNEHR-NVXWUHKLSA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083137 705311701 /nfs/dbraw/zinc/31/17/01/705311701.db2.gz VNOASFTZZHNEHR-NVXWUHKLSA-N 1 3 347.507 1.429 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)CC[N@@H+]1C ZINC000998795369 706242128 /nfs/dbraw/zinc/24/21/28/706242128.db2.gz XHAZSDSDNPNRQG-MHVXSEJMSA-N 1 3 333.480 1.229 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)CC[N@H+]1C ZINC000998795369 706242131 /nfs/dbraw/zinc/24/21/31/706242131.db2.gz XHAZSDSDNPNRQG-MHVXSEJMSA-N 1 3 333.480 1.229 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531519 /nfs/dbraw/zinc/53/15/19/706531519.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 1 3 348.516 1.908 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531521 /nfs/dbraw/zinc/53/15/21/706531521.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 1 3 348.516 1.908 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143888 706557681 /nfs/dbraw/zinc/55/76/81/706557681.db2.gz RASNTTLZFJYIPA-YMVOSSCXSA-N 1 3 333.476 1.229 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCc3ccnn3C)C2)CCC1 ZINC000999348333 706860598 /nfs/dbraw/zinc/86/05/98/706860598.db2.gz NTGLXEVOSJGBMT-OAHLLOKOSA-N 1 3 333.480 1.028 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372573 706886884 /nfs/dbraw/zinc/88/68/84/706886884.db2.gz CIQSKNIGFFTXLU-AWEZNQCLSA-N 1 3 336.505 1.751 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cn1 ZINC000999405184 706914428 /nfs/dbraw/zinc/91/44/28/706914428.db2.gz CMAYQVLZTOCLAB-IGEOTXOUSA-N 1 3 331.464 1.348 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122204 /nfs/dbraw/zinc/12/22/04/707122204.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 1 3 347.503 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122206 /nfs/dbraw/zinc/12/22/06/707122206.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 1 3 347.503 1.430 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC000999687756 707241818 /nfs/dbraw/zinc/24/18/18/707241818.db2.gz JBQDISRXDFHHJP-LRVUVFPRSA-N 1 3 346.479 1.103 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2n[nH]c(C3CC3)n2)C1 ZINC000999687756 707241822 /nfs/dbraw/zinc/24/18/22/707241822.db2.gz JBQDISRXDFHHJP-LRVUVFPRSA-N 1 3 346.479 1.103 20 0 EDADHO CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244468 /nfs/dbraw/zinc/24/44/68/707244468.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244473 /nfs/dbraw/zinc/24/44/73/707244473.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 1 3 337.508 1.676 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763696 707318316 /nfs/dbraw/zinc/31/83/16/707318316.db2.gz IBRHDKCSOZEHPF-ISXWCOSWSA-N 1 3 333.476 1.230 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876845 707524768 /nfs/dbraw/zinc/52/47/68/707524768.db2.gz UMBKPJKFMJFNMD-VMBOVVBDSA-N 1 3 333.480 1.374 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999973399 707586242 /nfs/dbraw/zinc/58/62/42/707586242.db2.gz KMCUTGULZLMYAG-SJORKVTESA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999973399 707586245 /nfs/dbraw/zinc/58/62/45/707586245.db2.gz KMCUTGULZLMYAG-SJORKVTESA-N 1 3 347.507 1.623 20 0 EDADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038537376 707849900 /nfs/dbraw/zinc/84/99/00/707849900.db2.gz QVQWVLQLOCXDTQ-DHADLLTHSA-N 1 3 335.492 1.476 20 0 EDADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001038537376 707849904 /nfs/dbraw/zinc/84/99/04/707849904.db2.gz QVQWVLQLOCXDTQ-DHADLLTHSA-N 1 3 335.492 1.476 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033595024 708297735 /nfs/dbraw/zinc/29/77/35/708297735.db2.gz PMRRHDIANPYBPY-LSDHHAIUSA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033595024 708297737 /nfs/dbraw/zinc/29/77/37/708297737.db2.gz PMRRHDIANPYBPY-LSDHHAIUSA-N 1 3 334.464 1.647 20 0 EDADHO COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687216 708503232 /nfs/dbraw/zinc/50/32/32/708503232.db2.gz ZSAYHGYWNKOSFD-RDJZCZTQSA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687216 708503234 /nfs/dbraw/zinc/50/32/34/708503234.db2.gz ZSAYHGYWNKOSFD-RDJZCZTQSA-N 1 3 333.476 1.929 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790948 709398640 /nfs/dbraw/zinc/39/86/40/709398640.db2.gz CSWVKEANZLDPML-FUHWJXTLSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034212935 709564275 /nfs/dbraw/zinc/56/42/75/709564275.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCO)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001034212935 709564278 /nfs/dbraw/zinc/56/42/78/709564278.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 1 3 337.508 1.604 20 0 EDADHO CC1CC(C[NH+]2CCC(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC001003330776 710265300 /nfs/dbraw/zinc/26/53/00/710265300.db2.gz CSIXTUXYSYPHJS-ZVQXUQNISA-N 1 3 347.503 1.476 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642537 710318154 /nfs/dbraw/zinc/31/81/54/710318154.db2.gz GUGMYYDMLATIPM-JFIYKMOQSA-N 1 3 347.507 1.810 20 0 EDADHO CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1)C(N)=O ZINC001034646858 710323192 /nfs/dbraw/zinc/32/31/92/710323192.db2.gz YJJGQEMXGIECQG-FPCVCCKLSA-N 1 3 338.496 1.140 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001034648528 710325344 /nfs/dbraw/zinc/32/53/44/710325344.db2.gz KXBNZWHVEWNEKM-BQFCYCMXSA-N 1 3 346.475 1.842 20 0 EDADHO CC(C)(C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1)N1CCCC1 ZINC001003423658 710339036 /nfs/dbraw/zinc/33/90/36/710339036.db2.gz LUIHZMAOVNTMJY-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628712 710458644 /nfs/dbraw/zinc/45/86/44/710458644.db2.gz VCDPYKXMZIWMTO-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC001003632691 710461423 /nfs/dbraw/zinc/46/14/23/710461423.db2.gz BRDGZLNXJUFFAV-HNAYVOBHSA-N 1 3 345.487 1.974 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC001003632691 710461424 /nfs/dbraw/zinc/46/14/24/710461424.db2.gz BRDGZLNXJUFFAV-HNAYVOBHSA-N 1 3 345.487 1.974 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034776655 711053338 /nfs/dbraw/zinc/05/33/38/711053338.db2.gz WGWDMWXOVQFNMX-BRWVUGGUSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC001034776655 711053342 /nfs/dbraw/zinc/05/33/42/711053342.db2.gz WGWDMWXOVQFNMX-BRWVUGGUSA-N 1 3 345.491 1.644 20 0 EDADHO O=C(NC1CCN(C[C@@H](O)c2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001003985653 711189764 /nfs/dbraw/zinc/18/97/64/711189764.db2.gz OUIFWEFOLBCDGI-GOSISDBHSA-N 1 3 343.471 1.396 20 0 EDADHO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)ccn1 ZINC001034881856 711282619 /nfs/dbraw/zinc/28/26/19/711282619.db2.gz NQZLWFXRHTZXSS-CVEARBPZSA-N 1 3 332.448 1.265 20 0 EDADHO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386552 711447937 /nfs/dbraw/zinc/44/79/37/711447937.db2.gz FWYGHHOMUINHHU-YWTNHNAXSA-N 1 3 348.491 1.286 20 0 EDADHO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386552 711447939 /nfs/dbraw/zinc/44/79/39/711447939.db2.gz FWYGHHOMUINHHU-YWTNHNAXSA-N 1 3 348.491 1.286 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394644 711461139 /nfs/dbraw/zinc/46/11/39/711461139.db2.gz PWZNKLDEYUALOF-PSBWJHGTSA-N 1 3 332.492 1.998 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394644 711461142 /nfs/dbraw/zinc/46/11/42/711461142.db2.gz PWZNKLDEYUALOF-PSBWJHGTSA-N 1 3 332.492 1.998 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396065 711470675 /nfs/dbraw/zinc/47/06/75/711470675.db2.gz ZUFXKPYLBYVDSD-VDHUWJSZSA-N 1 3 335.496 1.566 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396065 711470676 /nfs/dbraw/zinc/47/06/76/711470676.db2.gz ZUFXKPYLBYVDSD-VDHUWJSZSA-N 1 3 335.496 1.566 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC001004146824 711557642 /nfs/dbraw/zinc/55/76/42/711557642.db2.gz AWVCNIBMKZBDPH-OAHLLOKOSA-N 1 3 349.450 1.737 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCOc3cccc(F)c3)CC2)C1 ZINC001004146824 711557645 /nfs/dbraw/zinc/55/76/45/711557645.db2.gz AWVCNIBMKZBDPH-OAHLLOKOSA-N 1 3 349.450 1.737 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922519036 711648728 /nfs/dbraw/zinc/64/87/28/711648728.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922519036 711648730 /nfs/dbraw/zinc/64/87/30/711648730.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946642432 712128194 /nfs/dbraw/zinc/12/81/94/712128194.db2.gz JGNOEWPRRZORSF-WCXIOVBPSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946642432 712128196 /nfs/dbraw/zinc/12/81/96/712128196.db2.gz JGNOEWPRRZORSF-WCXIOVBPSA-N 1 3 325.497 1.532 20 0 EDADHO CCCc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000050799456 214071024 /nfs/dbraw/zinc/07/10/24/214071024.db2.gz SGKTZLTYSRNFIJ-UHFFFAOYSA-N 1 3 333.480 1.651 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO)c1ccccc1 ZINC000493710559 282238578 /nfs/dbraw/zinc/23/85/78/282238578.db2.gz SMDZKEPBMHPQGD-LMMKCTJWSA-N 1 3 333.476 1.546 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000171356381 530063475 /nfs/dbraw/zinc/06/34/75/530063475.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 1 3 344.503 1.944 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000171356381 530063476 /nfs/dbraw/zinc/06/34/76/530063476.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 1 3 344.503 1.944 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC000562524015 306301351 /nfs/dbraw/zinc/30/13/51/306301351.db2.gz WAAWTCDBGOVHME-UHFFFAOYSA-N 1 3 333.436 1.246 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000562758821 306308186 /nfs/dbraw/zinc/30/81/86/306308186.db2.gz OCQWFDYBBXJQQT-INIZCTEOSA-N 1 3 345.491 1.950 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342765986 291048622 /nfs/dbraw/zinc/04/86/22/291048622.db2.gz RJDAGEDPYCWDGV-JYJNAYRXSA-N 1 3 339.480 1.380 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000342765986 291048625 /nfs/dbraw/zinc/04/86/25/291048625.db2.gz RJDAGEDPYCWDGV-JYJNAYRXSA-N 1 3 339.480 1.380 20 0 EDADHO CCOCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000091726585 138284608 /nfs/dbraw/zinc/28/46/08/138284608.db2.gz WSFPETSWRYTRET-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316492 /nfs/dbraw/zinc/31/64/92/138316492.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 1 3 348.491 1.384 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316493 /nfs/dbraw/zinc/31/64/93/138316493.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 1 3 348.491 1.384 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCN1Cc1ccccc1 ZINC000563591669 306340604 /nfs/dbraw/zinc/34/06/04/306340604.db2.gz YFOAYIIIZUFAGW-FZCLSBEQSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413540194 304065518 /nfs/dbraw/zinc/06/55/18/304065518.db2.gz KYWBHYHNZMZURL-INIZCTEOSA-N 1 3 348.491 1.263 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000563810223 306348099 /nfs/dbraw/zinc/34/80/99/306348099.db2.gz JSZHIBRAZQVSHD-IPMKNSEASA-N 1 3 343.471 1.618 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000341159806 291138881 /nfs/dbraw/zinc/13/88/81/291138881.db2.gz SROSTSJNCRDBNM-MAUKXSAKSA-N 1 3 344.503 1.868 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[N@H+]1C ZINC000341159806 291138884 /nfs/dbraw/zinc/13/88/84/291138884.db2.gz SROSTSJNCRDBNM-MAUKXSAKSA-N 1 3 344.503 1.868 20 0 EDADHO CCC[NH2+]CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078403 283388662 /nfs/dbraw/zinc/38/86/62/283388662.db2.gz VTADDYDMQLJYHJ-SFHVURJKSA-N 1 3 348.491 1.576 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000173951192 237271893 /nfs/dbraw/zinc/27/18/93/237271893.db2.gz LZBJGNKPGDESMI-MRXNPFEDSA-N 1 3 348.495 1.831 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000173951192 237271901 /nfs/dbraw/zinc/27/19/01/237271901.db2.gz LZBJGNKPGDESMI-MRXNPFEDSA-N 1 3 348.495 1.831 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837922 306366422 /nfs/dbraw/zinc/36/64/22/306366422.db2.gz SEXSGXYRODXWOR-HQRMLTQVSA-N 1 3 327.472 1.860 20 0 EDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000564939107 306370471 /nfs/dbraw/zinc/37/04/71/306370471.db2.gz YXCWOUMATWQWSP-HZPDHXFCSA-N 1 3 339.528 1.171 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000130519185 223159309 /nfs/dbraw/zinc/15/93/09/223159309.db2.gz YTPJLCHPBRFVPH-KRWDZBQOSA-N 1 3 345.491 1.891 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@]1(C)CCCO1 ZINC000414195380 304105311 /nfs/dbraw/zinc/10/53/11/304105311.db2.gz OAMCOTOBZBXNKW-DLBZAZTESA-N 1 3 325.497 1.330 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703676 304130155 /nfs/dbraw/zinc/13/01/55/304130155.db2.gz MNCUNVTXIQQDNU-IRXDYDNUSA-N 1 3 333.451 1.887 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703676 304130158 /nfs/dbraw/zinc/13/01/58/304130158.db2.gz MNCUNVTXIQQDNU-IRXDYDNUSA-N 1 3 333.451 1.887 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCC[C@@H]1C ZINC000414709580 304130721 /nfs/dbraw/zinc/13/07/21/304130721.db2.gz RHGXFRHJLXUGHV-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714707 304131856 /nfs/dbraw/zinc/13/18/56/304131856.db2.gz XYTVQPNZFNGMGA-HOTGVXAUSA-N 1 3 339.505 1.593 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCCC1 ZINC000414740470 304135618 /nfs/dbraw/zinc/13/56/18/304135618.db2.gz RDKPFSIUWDCODU-WMLDXEAASA-N 1 3 346.475 1.881 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000566619750 306422146 /nfs/dbraw/zinc/42/21/46/306422146.db2.gz OWBITYRJOPLPAJ-OAHLLOKOSA-N 1 3 340.418 1.541 20 0 EDADHO COCCOc1cc2c(cc1CNCC[C@H]1CCC[NH2+]C1)OCO2 ZINC000414845185 304147208 /nfs/dbraw/zinc/14/72/08/304147208.db2.gz FKKKSSHXWHWUFI-CQSZACIVSA-N 1 3 336.432 1.920 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000415118334 304161155 /nfs/dbraw/zinc/16/11/55/304161155.db2.gz YAXOIQWEPDAZJX-MRXNPFEDSA-N 1 3 344.459 1.431 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000195159259 139008249 /nfs/dbraw/zinc/00/82/49/139008249.db2.gz TTZAMAQLNTVAIK-IBGZPJMESA-N 1 3 344.503 1.310 20 0 EDADHO CCN1CCN(c2ccccc2CN2CCC(O)(C[NH3+])CC2)CC1 ZINC000415142649 304164003 /nfs/dbraw/zinc/16/40/03/304164003.db2.gz QJZILYHVNMQYBT-UHFFFAOYSA-N 1 3 332.492 1.114 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000237200369 139043860 /nfs/dbraw/zinc/04/38/60/139043860.db2.gz LERITOPLPJLHLP-INIZCTEOSA-N 1 3 333.476 1.771 20 0 EDADHO COCCNCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000237200369 139043861 /nfs/dbraw/zinc/04/38/61/139043861.db2.gz LERITOPLPJLHLP-INIZCTEOSA-N 1 3 333.476 1.771 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237399917 139050181 /nfs/dbraw/zinc/05/01/81/139050181.db2.gz IHIQFAVBMVGODC-GPMSIDNRSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415193259 304173528 /nfs/dbraw/zinc/17/35/28/304173528.db2.gz JOPCSLQIFRTXJA-HNNXBMFYSA-N 1 3 332.448 1.320 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000415246176 304177969 /nfs/dbraw/zinc/17/79/69/304177969.db2.gz QPYICQMLHYTQIM-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO CCN1CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247037163 139132547 /nfs/dbraw/zinc/13/25/47/139132547.db2.gz NYRJHICQCWHVIQ-PKOBYXMFSA-N 1 3 344.503 1.655 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000333407567 296243555 /nfs/dbraw/zinc/24/35/55/296243555.db2.gz QWEFSMRVZVDZRR-PMPSAXMXSA-N 1 3 345.491 1.999 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CCOCC1 ZINC000261621502 139211962 /nfs/dbraw/zinc/21/19/62/139211962.db2.gz CENGGAUIJUMUPI-MSOLQXFVSA-N 1 3 331.460 1.521 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CNCCO2)cc1 ZINC000416883971 251117676 /nfs/dbraw/zinc/11/76/76/251117676.db2.gz KECQJHFCMXNQCG-QGZVFWFLSA-N 1 3 334.464 1.316 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417563602 251189322 /nfs/dbraw/zinc/18/93/22/251189322.db2.gz HGCHYTPNIQCRRO-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417633903 251209875 /nfs/dbraw/zinc/20/98/75/251209875.db2.gz YELRJLQWFFDPHC-HNNXBMFYSA-N 1 3 340.537 1.741 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000417830509 251288230 /nfs/dbraw/zinc/28/82/30/251288230.db2.gz QDNUFIUJRCAEFX-DXBFTMOHSA-N 1 3 326.510 1.348 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000417830510 251288680 /nfs/dbraw/zinc/28/86/80/251288680.db2.gz QDNUFIUJRCAEFX-LBEMJPCMSA-N 1 3 326.510 1.348 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417805630 251277349 /nfs/dbraw/zinc/27/73/49/251277349.db2.gz HVUVHDHLOABUCI-INIZCTEOSA-N 1 3 328.501 1.548 20 0 EDADHO C[C@@H](C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262506335 139283119 /nfs/dbraw/zinc/28/31/19/139283119.db2.gz BMSYKAMQJSZNBW-MSOLQXFVSA-N 1 3 346.519 1.684 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417992120 251319596 /nfs/dbraw/zinc/31/95/96/251319596.db2.gz LURFNMRSYBZANL-FHLIZLRMSA-N 1 3 346.475 1.050 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418437181 251370436 /nfs/dbraw/zinc/37/04/36/251370436.db2.gz CQEVTLASJHLGGQ-IEBWSBKVSA-N 1 3 348.491 1.440 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418584054 251379312 /nfs/dbraw/zinc/37/93/12/251379312.db2.gz XEPBAGYCOBLTLY-RHSMWYFYSA-N 1 3 336.455 1.897 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)CCCC[NH3+])C1 ZINC000418678515 251384749 /nfs/dbraw/zinc/38/47/49/251384749.db2.gz VRTMCESRTWFLRT-PMPSAXMXSA-N 1 3 326.485 1.399 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715753 139298381 /nfs/dbraw/zinc/29/83/81/139298381.db2.gz VJHOHRBHFRGQQL-RVKKMQEKSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262722668 139298968 /nfs/dbraw/zinc/29/89/68/139298968.db2.gz GCRQSSWVQLNJKF-MAUKXSAKSA-N 1 3 333.476 1.676 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000415593020 304234972 /nfs/dbraw/zinc/23/49/72/304234972.db2.gz JALUEEVKIMUBOB-HRCADAONSA-N 1 3 344.459 1.191 20 0 EDADHO C[C@]1(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3N)cc2)NC(=O)NC1=O ZINC000422874698 252008684 /nfs/dbraw/zinc/00/86/84/252008684.db2.gz AOSGVOSFWYAIEK-RLFYNMQTSA-N 1 3 330.432 1.491 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000423070956 252033705 /nfs/dbraw/zinc/03/37/05/252033705.db2.gz DQJIUHOKAUEBDX-VXGBXAGGSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C1CNC1 ZINC000423070956 252033709 /nfs/dbraw/zinc/03/37/09/252033709.db2.gz DQJIUHOKAUEBDX-VXGBXAGGSA-N 1 3 327.266 1.798 20 0 EDADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)C2)c1 ZINC000422908648 252018969 /nfs/dbraw/zinc/01/89/69/252018969.db2.gz YXBONBSXNQPBAR-OSGQAZFXSA-N 1 3 333.476 1.863 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857452 252093460 /nfs/dbraw/zinc/09/34/60/252093460.db2.gz XUHFKWFKPZQJTK-NZSAHSFTSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)C1 ZINC000423802836 252081026 /nfs/dbraw/zinc/08/10/26/252081026.db2.gz VPYPGYBDVLIYNZ-BPQIPLTHSA-N 1 3 330.476 1.750 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000423801322 252081163 /nfs/dbraw/zinc/08/11/63/252081163.db2.gz SUUOFCFXARXVEQ-BZSNNMDCSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(C)CC1 ZINC000424155238 252147275 /nfs/dbraw/zinc/14/72/75/252147275.db2.gz MPNZWBLHDVYSGQ-GJZGRUSLSA-N 1 3 334.468 1.053 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127064 252132566 /nfs/dbraw/zinc/13/25/66/252132566.db2.gz AAADTGWLMZFOJV-RDJZCZTQSA-N 1 3 342.447 1.235 20 0 EDADHO COc1ccc(CN(C)C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1OC ZINC000424277826 252188858 /nfs/dbraw/zinc/18/88/58/252188858.db2.gz AYSZBAIUYPSFDN-HUUCEWRRSA-N 1 3 335.448 1.522 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000424426996 252225274 /nfs/dbraw/zinc/22/52/74/252225274.db2.gz NPHBCFRODOJBPG-UHFFFAOYSA-N 1 3 333.480 1.601 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1 ZINC000424472375 252244113 /nfs/dbraw/zinc/24/41/13/252244113.db2.gz UYHBSLLGUSERKQ-INIZCTEOSA-N 1 3 346.475 1.629 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424474851 252244434 /nfs/dbraw/zinc/24/44/34/252244434.db2.gz JAIJOLPGRVDIQO-OKZBNKHCSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)N(C)C ZINC000459049088 254956065 /nfs/dbraw/zinc/95/60/65/254956065.db2.gz YJIRCVXENUUWSR-ULQDDVLXSA-N 1 3 339.528 1.137 20 0 EDADHO C[NH+](C)C/C=C\C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000492254393 255165381 /nfs/dbraw/zinc/16/53/81/255165381.db2.gz WPTQZDAIVKRCBU-QQSUMNJZSA-N 1 3 331.460 1.103 20 0 EDADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264134 255372323 /nfs/dbraw/zinc/37/23/23/255372323.db2.gz NPNFMWOUAIPZOL-LZLYRXPVSA-N 1 3 349.475 1.858 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000373739455 285279505 /nfs/dbraw/zinc/27/95/05/285279505.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000373739455 285279507 /nfs/dbraw/zinc/27/95/07/285279507.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@](C)(CC)OC ZINC000459004467 285278527 /nfs/dbraw/zinc/27/85/27/285278527.db2.gz PPXFQIORVWRZFJ-WMZOPIPTSA-N 1 3 342.528 1.859 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@](C)(CC)OC ZINC000459004467 285278530 /nfs/dbraw/zinc/27/85/30/285278530.db2.gz PPXFQIORVWRZFJ-WMZOPIPTSA-N 1 3 342.528 1.859 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417744181 285320302 /nfs/dbraw/zinc/32/03/02/285320302.db2.gz DPMPCMIKVLLAOB-IXDOHACOSA-N 1 3 339.528 1.171 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1CN(C)C ZINC000415862985 304282162 /nfs/dbraw/zinc/28/21/62/304282162.db2.gz TVXHEPDVRQCSRN-UHFFFAOYSA-N 1 3 332.448 1.253 20 0 EDADHO C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCCC1 ZINC000173812355 533246112 /nfs/dbraw/zinc/24/61/12/533246112.db2.gz IZFYNYMAGBJKPV-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381390 533647097 /nfs/dbraw/zinc/64/70/97/533647097.db2.gz IAGROUHFJLQPFY-SJORKVTESA-N 1 3 335.517 1.748 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381390 533647099 /nfs/dbraw/zinc/64/70/99/533647099.db2.gz IAGROUHFJLQPFY-SJORKVTESA-N 1 3 335.517 1.748 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402172 306564412 /nfs/dbraw/zinc/56/44/12/306564412.db2.gz GRGXHSASRNTCQN-PXNSFDDGSA-N 1 3 349.519 1.789 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCCCN1CCN(c2ccncc2)CC1 ZINC000270349878 140083892 /nfs/dbraw/zinc/08/38/92/140083892.db2.gz SKGUKWACGZYHGR-KRWDZBQOSA-N 1 3 345.491 1.100 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCC1 ZINC000340184696 142295700 /nfs/dbraw/zinc/29/57/00/142295700.db2.gz ZHAHDWBVGQXVTH-KRWDZBQOSA-N 1 3 337.489 1.787 20 0 EDADHO N[C@H](CC(F)F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000345696531 143122753 /nfs/dbraw/zinc/12/27/53/143122753.db2.gz REJAJQAIZYRWJI-OAHLLOKOSA-N 1 3 325.403 1.792 20 0 EDADHO Cc1nccn1CCN1C[C@H](C)[N@@H+](CCn2ccnc2C)C[C@@H]1C ZINC000346309599 143190057 /nfs/dbraw/zinc/19/00/57/143190057.db2.gz MSUJGFVRGABHTN-HOTGVXAUSA-N 1 3 330.480 1.791 20 0 EDADHO Cc1nccn1CCN1C[C@H](C)[N@H+](CCn2ccnc2C)C[C@@H]1C ZINC000346309599 143190058 /nfs/dbraw/zinc/19/00/58/143190058.db2.gz MSUJGFVRGABHTN-HOTGVXAUSA-N 1 3 330.480 1.791 20 0 EDADHO CCCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092847 143281685 /nfs/dbraw/zinc/28/16/85/143281685.db2.gz GHGQWIBBCLVHNK-INIZCTEOSA-N 1 3 349.475 1.771 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C1 ZINC000347479902 143326838 /nfs/dbraw/zinc/32/68/38/143326838.db2.gz NILJTFFEXMNHAN-VEDBGLOESA-N 1 3 338.496 1.362 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C1 ZINC000347479902 143326839 /nfs/dbraw/zinc/32/68/39/143326839.db2.gz NILJTFFEXMNHAN-VEDBGLOESA-N 1 3 338.496 1.362 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000416800346 304349600 /nfs/dbraw/zinc/34/96/00/304349600.db2.gz FNPQOGRWBWINCC-WMZOPIPTSA-N 1 3 334.464 1.357 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@@H]2C)[C@H](C)C1 ZINC000417667721 286060640 /nfs/dbraw/zinc/06/06/40/286060640.db2.gz HJYNZUADLFSDCR-QZWWFDLISA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H](C)NC[C@@H]2C)[C@H](C)C1 ZINC000417667721 286060642 /nfs/dbraw/zinc/06/06/42/286060642.db2.gz HJYNZUADLFSDCR-QZWWFDLISA-N 1 3 340.512 1.515 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416968108 304356937 /nfs/dbraw/zinc/35/69/37/304356937.db2.gz IPXPGGIVROKKNY-MRXNPFEDSA-N 1 3 334.464 1.426 20 0 EDADHO C[C@H](NC(=O)NCc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000416969940 304357259 /nfs/dbraw/zinc/35/72/59/304357259.db2.gz MEMOYTGWDVIDLN-DOTOQJQBSA-N 1 3 348.491 1.814 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000369955547 155253186 /nfs/dbraw/zinc/25/31/86/155253186.db2.gz SNRQSEXWBKULCD-QGZVFWFLSA-N 1 3 346.475 1.126 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000416979033 304360013 /nfs/dbraw/zinc/36/00/13/304360013.db2.gz WNZCJAWJKLHYEK-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369979837 155263867 /nfs/dbraw/zinc/26/38/67/155263867.db2.gz OGAXENYJCKEQNO-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369979837 155263870 /nfs/dbraw/zinc/26/38/70/155263870.db2.gz OGAXENYJCKEQNO-UHFFFAOYSA-N 1 3 340.512 1.615 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000356089732 150505208 /nfs/dbraw/zinc/50/52/08/150505208.db2.gz KDUVEQVQARSXJV-AWEZNQCLSA-N 1 3 340.512 1.212 20 0 EDADHO CC1(C)CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCN1 ZINC000357341326 151001615 /nfs/dbraw/zinc/00/16/15/151001615.db2.gz KFIQCLNVXNFNGO-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C)CC1 ZINC000357734841 151131851 /nfs/dbraw/zinc/13/18/51/151131851.db2.gz WXGOOHFXZQPYHW-CABCVRRESA-N 1 3 340.537 1.740 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C)CC1 ZINC000357734841 151131852 /nfs/dbraw/zinc/13/18/52/151131852.db2.gz WXGOOHFXZQPYHW-CABCVRRESA-N 1 3 340.537 1.740 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823056 151162636 /nfs/dbraw/zinc/16/26/36/151162636.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 1 3 341.544 1.432 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823056 151162638 /nfs/dbraw/zinc/16/26/38/151162638.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 1 3 341.544 1.432 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000358187271 151298397 /nfs/dbraw/zinc/29/83/97/151298397.db2.gz RUSWNWFDGFDQKQ-GOSISDBHSA-N 1 3 336.524 1.536 20 0 EDADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)OC ZINC000360594125 152112732 /nfs/dbraw/zinc/11/27/32/152112732.db2.gz CGQODLZVKCZSNB-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)OC ZINC000360594125 152112733 /nfs/dbraw/zinc/11/27/33/152112733.db2.gz CGQODLZVKCZSNB-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000360669614 152146967 /nfs/dbraw/zinc/14/69/67/152146967.db2.gz PSWLEZONFQLDCW-KRWDZBQOSA-N 1 3 342.553 1.845 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000360749564 152184755 /nfs/dbraw/zinc/18/47/55/152184755.db2.gz ZLTGSRRWXHVDTN-QGZVFWFLSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000360939627 152259023 /nfs/dbraw/zinc/25/90/23/152259023.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 1 3 331.508 1.524 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363892609 153088904 /nfs/dbraw/zinc/08/89/04/153088904.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 1 3 331.464 1.046 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363892609 153088907 /nfs/dbraw/zinc/08/89/07/153088907.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 1 3 331.464 1.046 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363892609 153088910 /nfs/dbraw/zinc/08/89/10/153088910.db2.gz CHKNKOBDCNSOHH-CQSZACIVSA-N 1 3 331.464 1.046 20 0 EDADHO N[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000364196788 153170211 /nfs/dbraw/zinc/17/02/11/153170211.db2.gz RMQAKGKFTDRQMC-FHNZIMOESA-N 1 3 331.435 2.000 20 0 EDADHO N[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000364196790 153170862 /nfs/dbraw/zinc/17/08/62/153170862.db2.gz RMQAKGKFTDRQMC-SOVSAQPXSA-N 1 3 331.435 2.000 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417196416 304383468 /nfs/dbraw/zinc/38/34/68/304383468.db2.gz PGZNVZILXHGCJU-CEXWTWQISA-N 1 3 344.503 1.800 20 0 EDADHO CCC[C@H](C)NC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654670 154215930 /nfs/dbraw/zinc/21/59/30/154215930.db2.gz AYZKMXXLLNLVRD-JZXOWHBKSA-N 1 3 338.540 1.780 20 0 EDADHO CC(C)n1cc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000367958735 154344449 /nfs/dbraw/zinc/34/44/49/154344449.db2.gz SPFQYYZAABENJM-UHFFFAOYSA-N 1 3 334.512 1.899 20 0 EDADHO CC(C)n1cc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)nn1 ZINC000367958735 154344451 /nfs/dbraw/zinc/34/44/51/154344451.db2.gz SPFQYYZAABENJM-UHFFFAOYSA-N 1 3 334.512 1.899 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000372407263 156375399 /nfs/dbraw/zinc/37/53/99/156375399.db2.gz NNULECYIAXYWNK-OAHLLOKOSA-N 1 3 343.475 1.996 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417548752 304404950 /nfs/dbraw/zinc/40/49/50/304404950.db2.gz RQEZCDVBZZAINO-ZBFHGGJFSA-N 1 3 340.512 1.787 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374298190 157229939 /nfs/dbraw/zinc/22/99/39/157229939.db2.gz UKDPNJANNAWMTD-CRAIPNDOSA-N 1 3 330.476 1.243 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000374298190 157229940 /nfs/dbraw/zinc/22/99/40/157229940.db2.gz UKDPNJANNAWMTD-CRAIPNDOSA-N 1 3 330.476 1.243 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211402 158110931 /nfs/dbraw/zinc/11/09/31/158110931.db2.gz PUQDIUHDTWWXQR-MAUKXSAKSA-N 1 3 327.472 1.907 20 0 EDADHO C[C@@H]1CN(CCC(=O)Nc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378309826 158135582 /nfs/dbraw/zinc/13/55/82/158135582.db2.gz BXUPDVFQPUUJFK-IEBWSBKVSA-N 1 3 344.503 1.973 20 0 EDADHO Cc1ccc([C@H](O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000378321713 158140207 /nfs/dbraw/zinc/14/02/07/158140207.db2.gz UJYPKSJVGUNSBP-YZGWKJHDSA-N 1 3 331.504 1.986 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000378422084 158169094 /nfs/dbraw/zinc/16/90/94/158169094.db2.gz AQZUXZLZDXEOFI-HOCLYGCPSA-N 1 3 335.496 1.528 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000575997411 306674976 /nfs/dbraw/zinc/67/49/76/306674976.db2.gz VPZCJHRJASCWKB-MRXNPFEDSA-N 1 3 348.495 1.640 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000352213206 162053404 /nfs/dbraw/zinc/05/34/04/162053404.db2.gz FTBJCDZRMXDGRB-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@@H](N2CC=CC2)C1 ZINC000418331491 304481543 /nfs/dbraw/zinc/48/15/43/304481543.db2.gz DOYDVBUPKKCIBN-QGZVFWFLSA-N 1 3 329.448 1.217 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000121998746 287376863 /nfs/dbraw/zinc/37/68/63/287376863.db2.gz PNCWOJNRDVVYLV-ZACQAIPSSA-N 1 3 325.497 1.457 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000418457101 304497364 /nfs/dbraw/zinc/49/73/64/304497364.db2.gz GMKHKMUNDXSNQJ-YJBOKZPZSA-N 1 3 348.491 1.598 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000418463519 304498473 /nfs/dbraw/zinc/49/84/73/304498473.db2.gz LKJDHSMHWAWTJJ-JYJNAYRXSA-N 1 3 326.485 1.399 20 0 EDADHO CCCN(CCC)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347218 452522911 /nfs/dbraw/zinc/52/29/11/452522911.db2.gz VYJVUUIXTXFYOT-ULQDDVLXSA-N 1 3 325.497 1.853 20 0 EDADHO CN(C)CCOCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000231676185 267913861 /nfs/dbraw/zinc/91/38/61/267913861.db2.gz JAXRANCYRSTKHB-UHFFFAOYSA-N 1 3 329.485 1.801 20 0 EDADHO CC[NH+](CC)CCOCCN(Cc1ccccc1)C[C@H](O)COC ZINC000273111698 273029229 /nfs/dbraw/zinc/02/92/29/273029229.db2.gz XNRXLOUEKWZMQR-IBGZPJMESA-N 1 3 338.492 1.854 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275514855 268353976 /nfs/dbraw/zinc/35/39/76/268353976.db2.gz UDCROTCNMUSOMQ-INIZCTEOSA-N 1 3 346.475 1.330 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284127898 274089699 /nfs/dbraw/zinc/08/96/99/274089699.db2.gz OBXSTGIPJCGJSA-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1cccc(CN(C)C)c1 ZINC000284127898 274089701 /nfs/dbraw/zinc/08/97/01/274089701.db2.gz OBXSTGIPJCGJSA-HNNXBMFYSA-N 1 3 348.491 1.211 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)N(C)C1 ZINC000346698246 277349914 /nfs/dbraw/zinc/34/99/14/277349914.db2.gz KJHONFFMGVAJSV-CVEARBPZSA-N 1 3 349.475 1.418 20 0 EDADHO CC(C)CN1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988445 277389823 /nfs/dbraw/zinc/38/98/23/277389823.db2.gz FCBIAGWWESWIQS-INIZCTEOSA-N 1 3 333.480 1.612 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CN1Cc1ccccc1 ZINC000130754645 278021343 /nfs/dbraw/zinc/02/13/43/278021343.db2.gz KDXRLILJDSBKAJ-AYBZRNKSSA-N 1 3 348.491 1.261 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000333580281 278548065 /nfs/dbraw/zinc/54/80/65/278548065.db2.gz UBRWRNSCYNWXDW-SJORKVTESA-N 1 3 338.496 1.128 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCCN1CCO ZINC000457811762 279127755 /nfs/dbraw/zinc/12/77/55/279127755.db2.gz OBFUFPANSHNNDU-HZPDHXFCSA-N 1 3 328.501 1.109 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359556325 279177779 /nfs/dbraw/zinc/17/77/79/279177779.db2.gz VLXRVVIQVAORKA-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916394 279328881 /nfs/dbraw/zinc/32/88/81/279328881.db2.gz QCCCVTUGOCZDJH-CVEARBPZSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916394 279328882 /nfs/dbraw/zinc/32/88/82/279328882.db2.gz QCCCVTUGOCZDJH-CVEARBPZSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451190 288162682 /nfs/dbraw/zinc/16/26/82/288162682.db2.gz BIUFZSMEDCUBOA-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)[C@@H]1C[N@H+](C)CCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000495913359 280013124 /nfs/dbraw/zinc/01/31/24/280013124.db2.gz QBSIRCTUSQDCQR-FUHWJXTLSA-N 1 3 336.480 1.133 20 0 EDADHO CC(C)[C@@H]1C[N@@H+](C)CCN1CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000495913359 280013126 /nfs/dbraw/zinc/01/31/26/280013126.db2.gz QBSIRCTUSQDCQR-FUHWJXTLSA-N 1 3 336.480 1.133 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C)cc1 ZINC000123916525 280944756 /nfs/dbraw/zinc/94/47/56/280944756.db2.gz APGAQCJKBRQJKZ-AEFFLSMTSA-N 1 3 336.480 1.210 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC[NH2+]C1 ZINC000378206503 292660601 /nfs/dbraw/zinc/66/06/01/292660601.db2.gz CQCBLOODILFAHP-HKUYNNGSSA-N 1 3 333.476 1.730 20 0 EDADHO COc1cc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc(OC)c1OC ZINC000269062723 295018509 /nfs/dbraw/zinc/01/85/09/295018509.db2.gz UPWDULIQAUBRPV-CYBMUJFWSA-N 1 3 338.448 1.820 20 0 EDADHO CC(C)CNC(=O)CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000660139302 453069758 /nfs/dbraw/zinc/06/97/58/453069758.db2.gz RPCQUXULDNYBAU-UHFFFAOYSA-N 1 3 326.529 1.497 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000419642162 447313456 /nfs/dbraw/zinc/31/34/56/447313456.db2.gz FNJQDBOOYBDERZ-UONOGXRCSA-N 1 3 334.464 1.086 20 0 EDADHO O=c1[nH]c(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000420296308 304745100 /nfs/dbraw/zinc/74/51/00/304745100.db2.gz DEYFUVNEXPZPFO-OAHLLOKOSA-N 1 3 341.459 1.453 20 0 EDADHO CC(C)(CCC[NH3+])NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000293757059 303013899 /nfs/dbraw/zinc/01/38/99/303013899.db2.gz WTMWQKHLBFKDJZ-UHFFFAOYSA-N 1 3 332.492 1.832 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000261616923 303632024 /nfs/dbraw/zinc/63/20/24/303632024.db2.gz FLVWLKNSPRETHU-SFHVURJKSA-N 1 3 331.460 1.708 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)C(C)C ZINC000419670664 447336229 /nfs/dbraw/zinc/33/62/29/447336229.db2.gz XIGALWKYFIZFGD-INIZCTEOSA-N 1 3 340.512 1.245 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414875751 447339174 /nfs/dbraw/zinc/33/91/74/447339174.db2.gz JMQOIXPPUNHFIJ-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414875751 447339181 /nfs/dbraw/zinc/33/91/81/447339181.db2.gz JMQOIXPPUNHFIJ-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO C[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000414873033 447337104 /nfs/dbraw/zinc/33/71/04/447337104.db2.gz GKVXUWRIQUUDAI-UHFFFAOYSA-N 1 3 344.459 1.609 20 0 EDADHO C[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000414873033 447337109 /nfs/dbraw/zinc/33/71/09/447337109.db2.gz GKVXUWRIQUUDAI-UHFFFAOYSA-N 1 3 344.459 1.609 20 0 EDADHO CO[C@]1(C)C[C@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795914 303915573 /nfs/dbraw/zinc/91/55/73/303915573.db2.gz KBIYJSHXSDPVTH-MAUKXSAKSA-N 1 3 325.497 1.769 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423048026 304883968 /nfs/dbraw/zinc/88/39/68/304883968.db2.gz HLZJMGGPUXHZKQ-DZGCQCFKSA-N 1 3 341.452 1.583 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000423730054 304906508 /nfs/dbraw/zinc/90/65/08/304906508.db2.gz NEFXLNLBVZZQSX-HNNXBMFYSA-N 1 3 327.432 1.478 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423752356 304908332 /nfs/dbraw/zinc/90/83/32/304908332.db2.gz CBXOXNCITDMRFY-QGZVFWFLSA-N 1 3 347.459 1.468 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414897675 447347816 /nfs/dbraw/zinc/34/78/16/447347816.db2.gz CCWIXXOXNIMFTQ-CQSZACIVSA-N 1 3 344.459 1.419 20 0 EDADHO COCC[N@H+](C)CC[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1 ZINC000430917267 305068024 /nfs/dbraw/zinc/06/80/24/305068024.db2.gz YGENKYLLEIGTLG-MSOLQXFVSA-N 1 3 349.475 1.191 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccccc1 ZINC000430917267 305068025 /nfs/dbraw/zinc/06/80/25/305068025.db2.gz YGENKYLLEIGTLG-MSOLQXFVSA-N 1 3 349.475 1.191 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205109 305076606 /nfs/dbraw/zinc/07/66/06/305076606.db2.gz XDIYXWPLCODDQK-MRXNPFEDSA-N 1 3 326.485 1.272 20 0 EDADHO CCN1CCC(N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000432867128 305096451 /nfs/dbraw/zinc/09/64/51/305096451.db2.gz UYVIIXWLKTXCDT-UHFFFAOYSA-N 1 3 339.505 1.853 20 0 EDADHO C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C ZINC000433387916 305107551 /nfs/dbraw/zinc/10/75/51/305107551.db2.gz SHNHSHZXGDTRDD-OWCLPIDISA-N 1 3 333.480 1.800 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441020910 305216708 /nfs/dbraw/zinc/21/67/08/305216708.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000441020910 305216709 /nfs/dbraw/zinc/21/67/09/305216709.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 1 3 327.517 1.042 20 0 EDADHO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)NC1CCN(C2CC2)CC1 ZINC000441448679 305222072 /nfs/dbraw/zinc/22/20/72/305222072.db2.gz NFEUHFXOMYTOGA-KRWDZBQOSA-N 1 3 348.535 1.537 20 0 EDADHO COc1ccc(NC(=O)NC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443055894 305234250 /nfs/dbraw/zinc/23/42/50/305234250.db2.gz BXULOGXTADARAO-CYBMUJFWSA-N 1 3 334.420 1.404 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253062 305294675 /nfs/dbraw/zinc/29/46/75/305294675.db2.gz VIJHWMYNYHZRJA-CVEARBPZSA-N 1 3 340.512 1.253 20 0 EDADHO O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)NC1CCN(C2CC2)CC1 ZINC000451609651 305356170 /nfs/dbraw/zinc/35/61/70/305356170.db2.gz NWJVXTBFUDTIMK-HKUYNNGSSA-N 1 3 335.492 1.116 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377791474 447357522 /nfs/dbraw/zinc/35/75/22/447357522.db2.gz FNAUSFFVGAEGTC-IRXDYDNUSA-N 1 3 339.528 1.138 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377791474 447357527 /nfs/dbraw/zinc/35/75/27/447357527.db2.gz FNAUSFFVGAEGTC-IRXDYDNUSA-N 1 3 339.528 1.138 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)NCC3([NH3+])CCCCCC3)C2)nn1 ZINC000515620926 305725484 /nfs/dbraw/zinc/72/54/84/305725484.db2.gz OJPHOMLAYFSSPX-OAHLLOKOSA-N 1 3 349.483 1.135 20 0 EDADHO CC1(C)CCCN[C@@H]1C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000414928889 447360749 /nfs/dbraw/zinc/36/07/49/447360749.db2.gz NRVRZVWPQLXCNY-GOSISDBHSA-N 1 3 338.540 1.151 20 0 EDADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn1[C@@H](C)C1CC1 ZINC000538621462 306031147 /nfs/dbraw/zinc/03/11/47/306031147.db2.gz DCRPINBRXYTZRB-HNNXBMFYSA-N 1 3 335.496 1.728 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541854782 306048022 /nfs/dbraw/zinc/04/80/22/306048022.db2.gz IZUDRLYCOFJCCJ-UHFFFAOYSA-N 1 3 348.491 1.914 20 0 EDADHO Cc1nnc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000544797252 306079051 /nfs/dbraw/zinc/07/90/51/306079051.db2.gz DBBAKEULSFVFRD-NSHDSACASA-N 1 3 328.486 1.042 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545176078 306081216 /nfs/dbraw/zinc/08/12/16/306081216.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 1 3 340.512 1.253 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000545176078 306081217 /nfs/dbraw/zinc/08/12/17/306081217.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 1 3 340.512 1.253 20 0 EDADHO CCN1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000554752474 306197408 /nfs/dbraw/zinc/19/74/08/306197408.db2.gz BZAUDWHAUBOBIM-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO CCCc1ncc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000556767268 306216936 /nfs/dbraw/zinc/21/69/36/306216936.db2.gz JZPPRUNRQPGFGV-UHFFFAOYSA-N 1 3 325.457 1.262 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N2CCN[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000557136073 306224865 /nfs/dbraw/zinc/22/48/65/306224865.db2.gz XWVRDAXLVZACNY-MAUKXSAKSA-N 1 3 346.475 1.835 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000414946842 447369469 /nfs/dbraw/zinc/36/94/69/447369469.db2.gz TYZINSHIPBUQQG-RHSMWYFYSA-N 1 3 346.475 1.580 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779592 447408024 /nfs/dbraw/zinc/40/80/24/447408024.db2.gz PLERDHWPDGAHHU-CQSZACIVSA-N 1 3 338.496 1.001 20 0 EDADHO COCC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC[NH2+]C1 ZINC000378206505 447408173 /nfs/dbraw/zinc/40/81/73/447408173.db2.gz CQCBLOODILFAHP-IEBWSBKVSA-N 1 3 333.476 1.730 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1CN(C)C ZINC000415393704 447414386 /nfs/dbraw/zinc/41/43/86/447414386.db2.gz ZNJGFWQMDQEJPW-CQSZACIVSA-N 1 3 346.475 1.581 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000422234540 447415698 /nfs/dbraw/zinc/41/56/98/447415698.db2.gz DMGCBWBFFNZPRU-UYSNPLJNSA-N 1 3 326.485 1.005 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2(N(C)C)CC2)c1 ZINC000419804600 447423816 /nfs/dbraw/zinc/42/38/16/447423816.db2.gz FYRNFHAEFZVDFF-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)N(C)C ZINC000458648760 447437730 /nfs/dbraw/zinc/43/77/30/447437730.db2.gz LDHKSTFGEVGFDS-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)N(C)C ZINC000458648760 447437736 /nfs/dbraw/zinc/43/77/36/447437736.db2.gz LDHKSTFGEVGFDS-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2)n1 ZINC000104533358 441197606 /nfs/dbraw/zinc/19/76/06/441197606.db2.gz AWSXLVHIOCWQSD-UHFFFAOYSA-N 1 3 329.448 1.438 20 0 EDADHO COc1cc(CNCCC[N@@H+]2CCCN(C)CC2)cc2c1OCO2 ZINC000105477051 441255976 /nfs/dbraw/zinc/25/59/76/441255976.db2.gz DVLISNFZXOYFJG-UHFFFAOYSA-N 1 3 335.448 1.541 20 0 EDADHO COc1cc(CNCCC[N@H+]2CCCN(C)CC2)cc2c1OCO2 ZINC000105477051 441255980 /nfs/dbraw/zinc/25/59/80/441255980.db2.gz DVLISNFZXOYFJG-UHFFFAOYSA-N 1 3 335.448 1.541 20 0 EDADHO C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000048616438 441319402 /nfs/dbraw/zinc/31/94/02/441319402.db2.gz FWCVBTVAJIXBCX-UHFFFAOYSA-N 1 3 346.475 1.679 20 0 EDADHO CCO[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C12CCC2 ZINC000074604956 441448679 /nfs/dbraw/zinc/44/86/79/441448679.db2.gz VZHWXDUAAOGRAV-HZPDHXFCSA-N 1 3 340.512 1.469 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000052002469 441431265 /nfs/dbraw/zinc/43/12/65/441431265.db2.gz ZEFGWMYMPKVLCC-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277483 441767589 /nfs/dbraw/zinc/76/75/89/441767589.db2.gz UIHOLANFPWRUEW-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CC1CCN(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000121847949 441793895 /nfs/dbraw/zinc/79/38/95/441793895.db2.gz FOLOHTIXYLYZDN-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO CS[C@@H]1CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000077835228 441875136 /nfs/dbraw/zinc/87/51/36/441875136.db2.gz DXIIRZOYXVYJRN-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000173951964 441868418 /nfs/dbraw/zinc/86/84/18/441868418.db2.gz HYSIHRURRSJOGO-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO Cc1ccccc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000174716054 441956702 /nfs/dbraw/zinc/95/67/02/441956702.db2.gz JPKNIRAYKBVESZ-QGZVFWFLSA-N 1 3 332.492 1.891 20 0 EDADHO Cc1ccccc1CCNC(=O)CN(C)CCCN1CCN(C)CC1 ZINC000174723650 441958950 /nfs/dbraw/zinc/95/89/50/441958950.db2.gz ZXPXPIFKVMWUGT-UHFFFAOYSA-N 1 3 346.519 1.223 20 0 EDADHO CCN1CCN(c2ccccc2NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000170698901 442250726 /nfs/dbraw/zinc/25/07/26/442250726.db2.gz RBCFFNOQKWLOQJ-UHFFFAOYSA-N 1 3 345.491 1.998 20 0 EDADHO CCN1CCN(c2ccccc2NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000170698901 442250730 /nfs/dbraw/zinc/25/07/30/442250730.db2.gz RBCFFNOQKWLOQJ-UHFFFAOYSA-N 1 3 345.491 1.998 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000152447101 442213851 /nfs/dbraw/zinc/21/38/51/442213851.db2.gz DWBIBGVWSBJDPS-UHFFFAOYSA-N 1 3 333.476 1.981 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000152447101 442213854 /nfs/dbraw/zinc/21/38/54/442213854.db2.gz DWBIBGVWSBJDPS-UHFFFAOYSA-N 1 3 333.476 1.981 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251705 442219676 /nfs/dbraw/zinc/21/96/76/442219676.db2.gz MRWRLUPJSKWVJS-ROUUACIJSA-N 1 3 333.476 1.954 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CNCCO1 ZINC000168708379 442224784 /nfs/dbraw/zinc/22/47/84/442224784.db2.gz DHFDSZSCTLXASJ-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CNCCO1 ZINC000168708379 442224788 /nfs/dbraw/zinc/22/47/88/442224788.db2.gz DHFDSZSCTLXASJ-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000177140069 442303828 /nfs/dbraw/zinc/30/38/28/442303828.db2.gz OPLVMGVTTYPEOS-UHFFFAOYSA-N 1 3 332.492 1.504 20 0 EDADHO Cc1cc(C)cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130592997 442351139 /nfs/dbraw/zinc/35/11/39/442351139.db2.gz CDGPHBDAZRMALC-UHFFFAOYSA-N 1 3 334.464 1.194 20 0 EDADHO CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)C ZINC000154918148 442364413 /nfs/dbraw/zinc/36/44/13/442364413.db2.gz IRCGWEBIYYMWSZ-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874594 442509763 /nfs/dbraw/zinc/50/97/63/442509763.db2.gz FFGVONJAYNCHDP-SJLPKXTDSA-N 1 3 332.492 1.337 20 0 EDADHO C[NH2+]CCCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000178777733 442483131 /nfs/dbraw/zinc/48/31/31/442483131.db2.gz UNIKLBIMLGYUCB-GOSISDBHSA-N 1 3 333.476 1.548 20 0 EDADHO C[C@@H](C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000192110879 442595155 /nfs/dbraw/zinc/59/51/55/442595155.db2.gz KWCFJYNNTVOXJN-SJORKVTESA-N 1 3 332.492 1.246 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231283 442619293 /nfs/dbraw/zinc/61/92/93/442619293.db2.gz BRJSNWLSTKNBLC-QZTJIDSGSA-N 1 3 333.476 1.734 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231283 442619298 /nfs/dbraw/zinc/61/92/98/442619298.db2.gz BRJSNWLSTKNBLC-QZTJIDSGSA-N 1 3 333.476 1.734 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000187947464 442699624 /nfs/dbraw/zinc/69/96/24/442699624.db2.gz NPLPENNCHPNJCF-NRSFXHEJSA-N 1 3 331.460 1.533 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC3(C)CC[NH2+]CC3)CC2)c1 ZINC000193370348 442736419 /nfs/dbraw/zinc/73/64/19/442736419.db2.gz OXPUFLAONJARLK-UHFFFAOYSA-N 1 3 344.503 1.765 20 0 EDADHO COCCN(C)CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000267938633 442792968 /nfs/dbraw/zinc/79/29/68/442792968.db2.gz BAMUCHDWUTYFKW-UHFFFAOYSA-N 1 3 342.509 1.400 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523155 442808739 /nfs/dbraw/zinc/80/87/39/442808739.db2.gz IGWJEYZUALGGOD-QZTJIDSGSA-N 1 3 348.491 1.618 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)C[C@H]1[NH+](C)C ZINC000268274725 442927805 /nfs/dbraw/zinc/92/78/05/442927805.db2.gz XCDZYBMYCVOHRU-NVXWUHKLSA-N 1 3 348.491 1.719 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CCN1Cc1ccccc1 ZINC000268869535 443132708 /nfs/dbraw/zinc/13/27/08/443132708.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869535 443132713 /nfs/dbraw/zinc/13/27/13/443132713.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869535 443132720 /nfs/dbraw/zinc/13/27/20/443132720.db2.gz GALUUZNKFFFOPF-HOJAQTOUSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000268885583 443137390 /nfs/dbraw/zinc/13/73/90/443137390.db2.gz YVYOSWLTDBVNJS-MAUKXSAKSA-N 1 3 331.460 1.921 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1 ZINC000266367501 443108378 /nfs/dbraw/zinc/10/83/78/443108378.db2.gz BDLVSZJOPHOXSC-MRXNPFEDSA-N 1 3 334.468 1.665 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cnc(C)nc1 ZINC000266367501 443108383 /nfs/dbraw/zinc/10/83/83/443108383.db2.gz BDLVSZJOPHOXSC-MRXNPFEDSA-N 1 3 334.468 1.665 20 0 EDADHO CCN1CC[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000268801637 443112675 /nfs/dbraw/zinc/11/26/75/443112675.db2.gz JLYWPIYPBVOCKQ-ICSRJNTNSA-N 1 3 345.535 1.914 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268955383 443158250 /nfs/dbraw/zinc/15/82/50/443158250.db2.gz DHDQFJBRKZKFHO-AWEZNQCLSA-N 1 3 333.432 1.751 20 0 EDADHO COCCNCC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262889817 443215405 /nfs/dbraw/zinc/21/54/05/443215405.db2.gz GRLNVJDQKXJOAQ-HNNXBMFYSA-N 1 3 337.489 1.455 20 0 EDADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000397493100 319134970 /nfs/dbraw/zinc/13/49/70/319134970.db2.gz BFZHBYXJLPYYFX-HNNXBMFYSA-N 1 3 343.512 1.830 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)[C@@H]2CC[C@H](C)C2)CC1 ZINC000411645933 319191402 /nfs/dbraw/zinc/19/14/02/319191402.db2.gz LSRIYJRFHMIRSO-DOTOQJQBSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678740 319340876 /nfs/dbraw/zinc/34/08/76/319340876.db2.gz QWYMJVOZYQCJOY-HZPDHXFCSA-N 1 3 349.450 1.737 20 0 EDADHO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc2c(c1)CNCCO2 ZINC000415970531 319386131 /nfs/dbraw/zinc/38/61/31/319386131.db2.gz IIONXMYNOHGZKT-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc2c(c1)CNCCO2 ZINC000415970531 319386132 /nfs/dbraw/zinc/38/61/32/319386132.db2.gz IIONXMYNOHGZKT-MRXNPFEDSA-N 1 3 348.447 1.137 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000246207029 443278761 /nfs/dbraw/zinc/27/87/61/443278761.db2.gz UYLJTDRPPALWOL-WKILWMFISA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000246207029 443278764 /nfs/dbraw/zinc/27/87/64/443278764.db2.gz UYLJTDRPPALWOL-WKILWMFISA-N 1 3 340.512 1.210 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000269361204 443293655 /nfs/dbraw/zinc/29/36/55/443293655.db2.gz SOKPTWDEHZTDJT-IBGZPJMESA-N 1 3 333.476 1.675 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000416816811 319463991 /nfs/dbraw/zinc/46/39/91/319463991.db2.gz HMVMRBBFDPCQRA-WMZOPIPTSA-N 1 3 346.475 1.883 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923266 319475402 /nfs/dbraw/zinc/47/54/02/319475402.db2.gz NTZZQCDNNSAZKF-WBVHZDCISA-N 1 3 334.464 1.739 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418561054 319505512 /nfs/dbraw/zinc/50/55/12/319505512.db2.gz YXMUVABRKNRTTB-DOTOQJQBSA-N 1 3 326.485 1.128 20 0 EDADHO COC[C@]1(CNC(=O)N(CCN(C)C)Cc2ccccc2)CCC[NH2+]1 ZINC000418651324 319508577 /nfs/dbraw/zinc/50/85/77/319508577.db2.gz HIJPKJCPADPNAG-LJQANCHMSA-N 1 3 348.491 1.528 20 0 EDADHO N[C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000269534058 443340100 /nfs/dbraw/zinc/34/01/00/443340100.db2.gz XPMDMWUDOPEGHW-QGZVFWFLSA-N 1 3 331.460 1.838 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000267292500 443408392 /nfs/dbraw/zinc/40/83/92/443408392.db2.gz IZIIVISOIBUYFH-UHFFFAOYSA-N 1 3 348.491 1.842 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000267292500 443408395 /nfs/dbraw/zinc/40/83/95/443408395.db2.gz IZIIVISOIBUYFH-UHFFFAOYSA-N 1 3 348.491 1.842 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@@H](C)CCN3)CCCC2)CC1 ZINC000423391228 319769806 /nfs/dbraw/zinc/76/98/06/319769806.db2.gz NJEDLOKRHFEJMS-RDJZCZTQSA-N 1 3 337.508 1.914 20 0 EDADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccccc1-n1ccnn1 ZINC000286057683 443636999 /nfs/dbraw/zinc/63/69/99/443636999.db2.gz LGGRQBZJGBQAFY-OAHLLOKOSA-N 1 3 329.448 1.765 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000433167156 319973205 /nfs/dbraw/zinc/97/32/05/319973205.db2.gz HXLXQUZDZBNRDK-CYBMUJFWSA-N 1 3 334.420 1.326 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440810161 320081093 /nfs/dbraw/zinc/08/10/93/320081093.db2.gz QVVFYTUBPQXQQQ-UHFFFAOYSA-N 1 3 333.402 1.936 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449366457 320184738 /nfs/dbraw/zinc/18/47/38/320184738.db2.gz WJDIGVNZEUTSKI-XLMAVXFVSA-N 1 3 337.508 1.580 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCCCC1 ZINC000457448287 320326245 /nfs/dbraw/zinc/32/62/45/320326245.db2.gz ZFTPGBWZWHDTTH-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000471641137 320353037 /nfs/dbraw/zinc/35/30/37/320353037.db2.gz DMRKAKNBEXRFHK-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccccc2CC[NH+](C)C)N(C)C1 ZINC000286347728 443695816 /nfs/dbraw/zinc/69/58/16/443695816.db2.gz XMDXUFNUQSUJIR-IRXDYDNUSA-N 1 3 348.491 1.974 20 0 EDADHO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCN(CC2CCOCC2)CC1 ZINC000516649051 320439820 /nfs/dbraw/zinc/43/98/20/320439820.db2.gz VXZUBZJQLPJVAQ-IBGZPJMESA-N 1 3 343.471 1.444 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000288151788 443786707 /nfs/dbraw/zinc/78/67/07/443786707.db2.gz ZHAHMRGGLSRPEX-DOTOQJQBSA-N 1 3 333.480 1.495 20 0 EDADHO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000277063543 443899361 /nfs/dbraw/zinc/89/93/61/443899361.db2.gz WGRMGYKJVQOHIH-KZNAEPCWSA-N 1 3 333.476 1.953 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288638255 443941418 /nfs/dbraw/zinc/94/14/18/443941418.db2.gz XFAXETGWTANUQA-MRXNPFEDSA-N 1 3 349.475 1.204 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000561145259 321034993 /nfs/dbraw/zinc/03/49/93/321034993.db2.gz CUJYTLXWFUMCMM-ROUUACIJSA-N 1 3 346.475 1.329 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000562674414 321068743 /nfs/dbraw/zinc/06/87/43/321068743.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000562674414 321068744 /nfs/dbraw/zinc/06/87/44/321068744.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 1 3 340.512 1.253 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+])N(C)C ZINC000562810245 321077475 /nfs/dbraw/zinc/07/74/75/321077475.db2.gz BWORGNZBCRLRLM-NUJGCVRESA-N 1 3 347.507 1.271 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000563075828 321094039 /nfs/dbraw/zinc/09/40/39/321094039.db2.gz ULJKEZMYAYQQSC-IKGGRYGDSA-N 1 3 325.497 1.493 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000563075830 321094044 /nfs/dbraw/zinc/09/40/44/321094044.db2.gz ULJKEZMYAYQQSC-IXDOHACOSA-N 1 3 325.497 1.493 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCOCC3)CC2)CC1 ZINC000564585831 321136791 /nfs/dbraw/zinc/13/67/91/321136791.db2.gz OQTBRQDWQWBDEB-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566190034 321221850 /nfs/dbraw/zinc/22/18/50/321221850.db2.gz HVLCGLIIBMUFIA-BZUAXINKSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000567881197 321264914 /nfs/dbraw/zinc/26/49/14/321264914.db2.gz UQSBLYCJYZWVOH-LSDHHAIUSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000568189412 321279682 /nfs/dbraw/zinc/27/96/82/321279682.db2.gz HIOFEOXGFMHGOS-ZACQAIPSSA-N 1 3 347.507 1.922 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]1)NCC1CCN(c2ccncc2)CC1 ZINC000568490343 321293754 /nfs/dbraw/zinc/29/37/54/321293754.db2.gz IAAFAJWOLOGXQJ-MRXNPFEDSA-N 1 3 331.464 1.739 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262693 321343027 /nfs/dbraw/zinc/34/30/27/321343027.db2.gz IFLOXDRYCPMDBH-OAHLLOKOSA-N 1 3 344.459 1.212 20 0 EDADHO CCN1CCN(CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000571676937 321396998 /nfs/dbraw/zinc/39/69/98/321396998.db2.gz RPUJDZYGWVDWSD-QGZVFWFLSA-N 1 3 332.492 1.466 20 0 EDADHO Cn1cc(-c2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cn1 ZINC000572722668 321436776 /nfs/dbraw/zinc/43/67/76/321436776.db2.gz IFJPRWYZUXVDPF-WBVHZDCISA-N 1 3 331.420 1.403 20 0 EDADHO C[C@@H](CC(=O)NC[C@@H](O)CN1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000573486040 321456672 /nfs/dbraw/zinc/45/66/72/321456672.db2.gz XJDVPWWWVLLRKF-DOTOQJQBSA-N 1 3 325.497 1.221 20 0 EDADHO CN(C)C(=O)[C@@H](c1ccccc1)N(C)CCCN(C)CC[NH+](C)C ZINC000289508801 444161571 /nfs/dbraw/zinc/16/15/71/444161571.db2.gz UXILAYSEPPXWGY-GOSISDBHSA-N 1 3 334.508 1.631 20 0 EDADHO CC[C@@H](CNS(C)(=O)=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000294984911 444163162 /nfs/dbraw/zinc/16/31/62/444163162.db2.gz GWKIDKYWVBSIPI-INIZCTEOSA-N 1 3 339.505 1.568 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000295170155 444167827 /nfs/dbraw/zinc/16/78/27/444167827.db2.gz LIVLYFKFXVXELF-GFCCVEGCSA-N 1 3 334.420 1.483 20 0 EDADHO CN(C)S(=O)(=O)CC[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000289541030 444168194 /nfs/dbraw/zinc/16/81/94/444168194.db2.gz JRPODADEWCIFDE-UHFFFAOYSA-N 1 3 341.521 1.626 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CO2 ZINC000296084143 444203470 /nfs/dbraw/zinc/20/34/70/444203470.db2.gz SUKJIFVQABUPRN-KRWDZBQOSA-N 1 3 333.476 1.614 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000576730351 321591834 /nfs/dbraw/zinc/59/18/34/321591834.db2.gz XXIAQQJHDOEUSN-LZLYRXPVSA-N 1 3 348.516 1.560 20 0 EDADHO CC(C)[C@](C)(O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000304041609 444240647 /nfs/dbraw/zinc/24/06/47/444240647.db2.gz IROQGVABIIZXMB-GOSISDBHSA-N 1 3 340.512 1.251 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(C[C@H](C)O)C2CCCCC2)CC1 ZINC000304094833 444242236 /nfs/dbraw/zinc/24/22/36/444242236.db2.gz DSBPSLAAKNTYHY-INIZCTEOSA-N 1 3 339.524 1.991 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257062 444244593 /nfs/dbraw/zinc/24/45/93/444244593.db2.gz DODZTGJKRCRQCX-WOJBJXKFSA-N 1 3 331.504 1.897 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000323320939 444342541 /nfs/dbraw/zinc/34/25/41/444342541.db2.gz TXQCZFGEUSXCMU-ZXFNITATSA-N 1 3 325.497 1.611 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079125 322007239 /nfs/dbraw/zinc/00/72/39/322007239.db2.gz JMGQKDRKSHJGDJ-AZUAARDMSA-N 1 3 342.487 1.896 20 0 EDADHO C[NH2+][C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000580464403 322055579 /nfs/dbraw/zinc/05/55/79/322055579.db2.gz OTZCPDNVIIZGMF-ZDUSSCGKSA-N 1 3 339.867 1.907 20 0 EDADHO COc1nc(C)cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000329538280 444620173 /nfs/dbraw/zinc/62/01/73/444620173.db2.gz VIDYMUHWFIWVIS-UHFFFAOYSA-N 1 3 333.480 2.156 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894618 444651106 /nfs/dbraw/zinc/65/11/06/444651106.db2.gz VEGKGVVATJPCFD-CVEARBPZSA-N 1 3 339.480 1.252 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000343920793 444670530 /nfs/dbraw/zinc/67/05/30/444670530.db2.gz ILQWYWQMGSAJKP-QWFCFKBJSA-N 1 3 347.503 1.384 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC000343920793 444670535 /nfs/dbraw/zinc/67/05/35/444670535.db2.gz ILQWYWQMGSAJKP-QWFCFKBJSA-N 1 3 347.503 1.384 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341120685 444684028 /nfs/dbraw/zinc/68/40/28/444684028.db2.gz KQPQENXAPBJWMU-CABCVRRESA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341120685 444684034 /nfs/dbraw/zinc/68/40/34/444684034.db2.gz KQPQENXAPBJWMU-CABCVRRESA-N 1 3 340.512 1.658 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000342656205 444799828 /nfs/dbraw/zinc/79/98/28/444799828.db2.gz RNCHQBGCOLCNQN-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000342656205 444799831 /nfs/dbraw/zinc/79/98/31/444799831.db2.gz RNCHQBGCOLCNQN-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@H](C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000338836527 444880173 /nfs/dbraw/zinc/88/01/73/444880173.db2.gz RRTJGAWXZOUPSW-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO CN(CCc1cnn(C)c1)[C@H]1CCC[N@H+](CCc2cnn(C)c2)CC1 ZINC000338938169 444943814 /nfs/dbraw/zinc/94/38/14/444943814.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 1 3 344.507 1.725 20 0 EDADHO CN(CCc1cnn(C)c1)[C@H]1CCC[N@@H+](CCc2cnn(C)c2)CC1 ZINC000338938169 444943820 /nfs/dbraw/zinc/94/38/20/444943820.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 1 3 344.507 1.725 20 0 EDADHO C[C@H]1C[C@H](C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000339273001 445129976 /nfs/dbraw/zinc/12/99/76/445129976.db2.gz FDXFLMFGFVJONM-DOTOQJQBSA-N 1 3 333.476 1.974 20 0 EDADHO C[C@H]1C[C@H](C(=O)NCc2cccc(OCCN(C)C)c2)CC[N@H+]1C ZINC000339273001 445129978 /nfs/dbraw/zinc/12/99/78/445129978.db2.gz FDXFLMFGFVJONM-DOTOQJQBSA-N 1 3 333.476 1.974 20 0 EDADHO CCN(CC)CC(=O)NC[C@@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000337553938 445134656 /nfs/dbraw/zinc/13/46/56/445134656.db2.gz IDMDPSWNFQNLKQ-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO CCN(CC)CC(=O)N1CC[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC000337553938 445134659 /nfs/dbraw/zinc/13/46/59/445134659.db2.gz IDMDPSWNFQNLKQ-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCN1C ZINC000339495317 445146607 /nfs/dbraw/zinc/14/66/07/445146607.db2.gz WZEWVEHTPYXFTL-CHWSQXEVSA-N 1 3 338.496 1.011 20 0 EDADHO CN(C[C@H](O)COC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362486813 445407177 /nfs/dbraw/zinc/40/71/77/445407177.db2.gz LXZNWGCYLAIXOB-IRXDYDNUSA-N 1 3 327.513 1.263 20 0 EDADHO CN(C[C@H](O)COC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362486813 445407182 /nfs/dbraw/zinc/40/71/82/445407182.db2.gz LXZNWGCYLAIXOB-IRXDYDNUSA-N 1 3 327.513 1.263 20 0 EDADHO CN(C[C@@H](O)COC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362486811 445407795 /nfs/dbraw/zinc/40/77/95/445407795.db2.gz LXZNWGCYLAIXOB-DLBZAZTESA-N 1 3 327.513 1.263 20 0 EDADHO CN(C[C@@H](O)COC(C)(C)C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362486811 445407800 /nfs/dbraw/zinc/40/78/00/445407800.db2.gz LXZNWGCYLAIXOB-DLBZAZTESA-N 1 3 327.513 1.263 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357041921 445390469 /nfs/dbraw/zinc/39/04/69/445390469.db2.gz DMNPCFOLIQNRNY-KRWDZBQOSA-N 1 3 348.491 1.885 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)NCC1(N(C)C)CCC1)C(C)C ZINC000354790552 445390542 /nfs/dbraw/zinc/39/05/42/445390542.db2.gz MXQPFZFQHSOZMV-UHFFFAOYSA-N 1 3 340.512 1.212 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357167989 445464390 /nfs/dbraw/zinc/46/43/90/445464390.db2.gz USGHHODAFWSAGJ-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663031 445485483 /nfs/dbraw/zinc/48/54/83/445485483.db2.gz KMSHCMQBCZWBER-TZMCWYRMSA-N 1 3 346.431 1.292 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663031 445485486 /nfs/dbraw/zinc/48/54/86/445485486.db2.gz KMSHCMQBCZWBER-TZMCWYRMSA-N 1 3 346.431 1.292 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)C(N)C(F)(F)F)cc1 ZINC000353466730 445614467 /nfs/dbraw/zinc/61/44/67/445614467.db2.gz JAOJLQULZUMQJA-CYBMUJFWSA-N 1 3 333.354 1.175 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001438 445644961 /nfs/dbraw/zinc/64/49/61/445644961.db2.gz NNQFPVJDQRRVFG-CRAIPNDOSA-N 1 3 330.476 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001438 445644965 /nfs/dbraw/zinc/64/49/65/445644965.db2.gz NNQFPVJDQRRVFG-CRAIPNDOSA-N 1 3 330.476 1.954 20 0 EDADHO C[C@H](CC(=O)OC(C)(C)C)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353550255 445652931 /nfs/dbraw/zinc/65/29/31/445652931.db2.gz HDFSKSSWYFHBCB-KGLIPLIRSA-N 1 3 327.469 1.284 20 0 EDADHO C[C@H](CC(=O)OC(C)(C)C)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353550255 445652933 /nfs/dbraw/zinc/65/29/33/445652933.db2.gz HDFSKSSWYFHBCB-KGLIPLIRSA-N 1 3 327.469 1.284 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000360248760 445656086 /nfs/dbraw/zinc/65/60/86/445656086.db2.gz JNQZLBARQZPSDE-FMKPAKJESA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCSC1 ZINC000360248760 445656093 /nfs/dbraw/zinc/65/60/93/445656093.db2.gz JNQZLBARQZPSDE-FMKPAKJESA-N 1 3 326.510 1.350 20 0 EDADHO CSC1(CNC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)CC[NH+](C)CC1 ZINC000360687073 445722106 /nfs/dbraw/zinc/72/21/06/445722106.db2.gz ABVLFBFVCONXFT-HUUCEWRRSA-N 1 3 342.553 1.938 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000353931360 445816778 /nfs/dbraw/zinc/81/67/78/445816778.db2.gz YPWUSSDYTLPLOF-GOEBONIOSA-N 1 3 328.526 1.597 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000353931360 445816782 /nfs/dbraw/zinc/81/67/82/445816782.db2.gz YPWUSSDYTLPLOF-GOEBONIOSA-N 1 3 328.526 1.597 20 0 EDADHO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000361702068 445885256 /nfs/dbraw/zinc/88/52/56/445885256.db2.gz UEBQZIDNUVRJQN-GOSISDBHSA-N 1 3 335.496 1.862 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837072 /nfs/dbraw/zinc/83/70/72/445837072.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 1 3 342.487 1.401 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837076 /nfs/dbraw/zinc/83/70/76/445837076.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 1 3 342.487 1.401 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363520360 445843390 /nfs/dbraw/zinc/84/33/90/445843390.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363520360 445843393 /nfs/dbraw/zinc/84/33/93/445843393.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CN2CCC1CC2 ZINC000582555921 325873460 /nfs/dbraw/zinc/87/34/60/325873460.db2.gz RWYBSXFKHWNJGV-SJORKVTESA-N 1 3 337.533 1.757 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(F)CCNC1 ZINC000373090260 446020263 /nfs/dbraw/zinc/02/02/63/446020263.db2.gz OVUDGBRCUOGOBU-GOSISDBHSA-N 1 3 337.439 1.725 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000583138758 326010169 /nfs/dbraw/zinc/01/01/69/326010169.db2.gz IEBQTCLBOGRZOR-KRWDZBQOSA-N 1 3 339.455 1.181 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087558 /nfs/dbraw/zinc/08/75/58/446087558.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087564 /nfs/dbraw/zinc/08/75/64/446087564.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412573 446207783 /nfs/dbraw/zinc/20/77/83/446207783.db2.gz GWLGGGMYOLSHAG-PBHICJAKSA-N 1 3 337.489 1.656 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412573 446207790 /nfs/dbraw/zinc/20/77/90/446207790.db2.gz GWLGGGMYOLSHAG-PBHICJAKSA-N 1 3 337.489 1.656 20 0 EDADHO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000373435920 446216590 /nfs/dbraw/zinc/21/65/90/446216590.db2.gz PZAZFLDKVKAFNA-GGPHIMKMSA-N 1 3 342.487 1.679 20 0 EDADHO C[C@@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000365550822 446251180 /nfs/dbraw/zinc/25/11/80/446251180.db2.gz UWVURAFCBUUQDX-HNNXBMFYSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H](CNC(=O)C1CCN(Cc2cccnc2)CC1)[N@@H+](C)C1CC1 ZINC000365550822 446251183 /nfs/dbraw/zinc/25/11/83/446251183.db2.gz UWVURAFCBUUQDX-HNNXBMFYSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564100 446255907 /nfs/dbraw/zinc/25/59/07/446255907.db2.gz DUPXOGHKCWAOMJ-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564100 446255912 /nfs/dbraw/zinc/25/59/12/446255912.db2.gz DUPXOGHKCWAOMJ-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCCN1CC(C)C ZINC000359552046 446287063 /nfs/dbraw/zinc/28/70/63/446287063.db2.gz BTNVVEKRGHDXTC-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420271717 446443552 /nfs/dbraw/zinc/44/35/52/446443552.db2.gz KLUBYJBBSWYZDW-KGLIPLIRSA-N 1 3 347.511 1.762 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000418185220 446451068 /nfs/dbraw/zinc/45/10/68/446451068.db2.gz ARJITILFJPJBFM-MRXNPFEDSA-N 1 3 347.463 1.058 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000418006860 446413492 /nfs/dbraw/zinc/41/34/92/446413492.db2.gz FMPGLYAMXGJCOG-RYQLBKOJSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418015177 446416851 /nfs/dbraw/zinc/41/68/51/446416851.db2.gz PPVSHBQCZIFOTJ-BGTYHANMSA-N 1 3 330.476 1.934 20 0 EDADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000367030699 446476126 /nfs/dbraw/zinc/47/61/26/446476126.db2.gz RRNLQSJOQFCYAK-VQIMIIECSA-N 1 3 344.503 1.504 20 0 EDADHO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000367030699 446476130 /nfs/dbraw/zinc/47/61/30/446476130.db2.gz RRNLQSJOQFCYAK-VQIMIIECSA-N 1 3 344.503 1.504 20 0 EDADHO CC(C)N(C)C(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420317721 446484269 /nfs/dbraw/zinc/48/42/69/446484269.db2.gz NVBXWZUTNRFCPT-OALUTQOASA-N 1 3 347.503 1.496 20 0 EDADHO C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423328994 446489319 /nfs/dbraw/zinc/48/93/19/446489319.db2.gz MOXZKQBPKJSGGD-BZUAXINKSA-N 1 3 347.507 1.737 20 0 EDADHO CN1CCC2(CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418330206 446502698 /nfs/dbraw/zinc/50/26/98/446502698.db2.gz PZMYJEMWRVLKJN-UHFFFAOYSA-N 1 3 345.491 1.831 20 0 EDADHO COC[C@@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368592 446504828 /nfs/dbraw/zinc/50/48/28/446504828.db2.gz BFAIMCHAGBEYPX-DNVCBOLYSA-N 1 3 333.476 1.858 20 0 EDADHO Cc1cccc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338230 446508314 /nfs/dbraw/zinc/50/83/14/446508314.db2.gz XOGMDRRJWXDKKE-HOTGVXAUSA-N 1 3 326.444 1.824 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(C)C2CCC(CO)CC2)CC1 ZINC000411404803 446523652 /nfs/dbraw/zinc/52/36/52/446523652.db2.gz ZLRVFNHPZUPUDR-UHFFFAOYSA-N 1 3 325.497 1.458 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414740 446529506 /nfs/dbraw/zinc/52/95/06/446529506.db2.gz BYDJDRPXHZIYTD-GOSISDBHSA-N 1 3 348.466 1.500 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418402344 446530677 /nfs/dbraw/zinc/53/06/77/446530677.db2.gz ZDNYEBDWYOERMX-LPHOPBHVSA-N 1 3 348.491 1.120 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000418448670 446546453 /nfs/dbraw/zinc/54/64/53/446546453.db2.gz RFSVGANNRGJJHH-QGZVFWFLSA-N 1 3 340.512 1.445 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503475 446569508 /nfs/dbraw/zinc/56/95/08/446569508.db2.gz XVLZFHAPJMTMAU-QZTJIDSGSA-N 1 3 345.491 1.815 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH3+])CCC1 ZINC000418505542 446570654 /nfs/dbraw/zinc/57/06/54/446570654.db2.gz DFXOYYCQMWJIOF-QGZVFWFLSA-N 1 3 345.491 1.959 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CC[NH3+] ZINC000418515573 446576448 /nfs/dbraw/zinc/57/64/48/446576448.db2.gz BQHLSLIWJJIZEX-WBVHZDCISA-N 1 3 333.480 1.815 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000418749679 446669254 /nfs/dbraw/zinc/66/92/54/446669254.db2.gz MPSVXGAQZREZOW-AWEZNQCLSA-N 1 3 330.423 1.644 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418755385 446675536 /nfs/dbraw/zinc/67/55/36/446675536.db2.gz XEXOTKLZOKAZDH-ZIAGYGMSSA-N 1 3 330.423 1.644 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418644948 446630478 /nfs/dbraw/zinc/63/04/78/446630478.db2.gz VOBNHTZCRGXJLG-QGPMSJSTSA-N 1 3 328.460 1.752 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418644948 446630482 /nfs/dbraw/zinc/63/04/82/446630482.db2.gz VOBNHTZCRGXJLG-QGPMSJSTSA-N 1 3 328.460 1.752 20 0 EDADHO CN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776432 446712410 /nfs/dbraw/zinc/71/24/10/446712410.db2.gz HWPMMDQQVMFTLU-HTYVYXPBSA-N 1 3 336.480 1.116 20 0 EDADHO CN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376776432 446712415 /nfs/dbraw/zinc/71/24/15/446712415.db2.gz HWPMMDQQVMFTLU-HTYVYXPBSA-N 1 3 336.480 1.116 20 0 EDADHO CC(C)([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418815496 446720849 /nfs/dbraw/zinc/72/08/49/446720849.db2.gz KOCMMYYSXJSJND-LJQANCHMSA-N 1 3 346.475 1.011 20 0 EDADHO CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCCCC1 ZINC000418827304 446733827 /nfs/dbraw/zinc/73/38/27/446733827.db2.gz DMXXZJJCBMKIQT-HNNXBMFYSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000423750177 446679624 /nfs/dbraw/zinc/67/96/24/446679624.db2.gz SUXBNTXUYSUJET-ZACQAIPSSA-N 1 3 325.497 1.581 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCC[NH2+]C)C1 ZINC000418854542 446754087 /nfs/dbraw/zinc/75/40/87/446754087.db2.gz BNLDRXCLDZDUQG-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@@H]1CN(CCC(=O)NC2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371305637 446761067 /nfs/dbraw/zinc/76/10/67/446761067.db2.gz ZOJPOFYNRKOYQG-SJLPKXTDSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886037 446744072 /nfs/dbraw/zinc/74/40/72/446744072.db2.gz ZOYNIUBHPPXDHZ-IPELMVKDSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886037 446744077 /nfs/dbraw/zinc/74/40/77/446744077.db2.gz ZOYNIUBHPPXDHZ-IPELMVKDSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000418955950 446825688 /nfs/dbraw/zinc/82/56/88/446825688.db2.gz YVCNHSSSJQCTSU-DOTOQJQBSA-N 1 3 346.475 1.039 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)c1 ZINC000419028669 446873635 /nfs/dbraw/zinc/87/36/35/446873635.db2.gz RGFGFGLZPFHJRU-QGZVFWFLSA-N 1 3 346.475 1.094 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN)c1 ZINC000419028669 446873640 /nfs/dbraw/zinc/87/36/40/446873640.db2.gz RGFGFGLZPFHJRU-QGZVFWFLSA-N 1 3 346.475 1.094 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCCN2C)CC1 ZINC000420903457 446880715 /nfs/dbraw/zinc/88/07/15/446880715.db2.gz ATIQWDPTJRQMDW-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccn1 ZINC000424637645 446915033 /nfs/dbraw/zinc/91/50/33/446915033.db2.gz KBZMRSQKWKZJPT-SJORKVTESA-N 1 3 335.496 1.709 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1cccn1 ZINC000424637645 446915038 /nfs/dbraw/zinc/91/50/38/446915038.db2.gz KBZMRSQKWKZJPT-SJORKVTESA-N 1 3 335.496 1.709 20 0 EDADHO C[C@H]1COCCN1CC[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000368539722 446931349 /nfs/dbraw/zinc/93/13/49/446931349.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@H]1COCCN1CC[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000368539722 446931354 /nfs/dbraw/zinc/93/13/54/446931354.db2.gz QCSFZDCTXFJBGE-INIZCTEOSA-N 1 3 325.497 1.282 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000412564098 446961364 /nfs/dbraw/zinc/96/13/64/446961364.db2.gz NRWKWYLQYHMYAJ-UHFFFAOYSA-N 1 3 335.448 1.916 20 0 EDADHO Cc1cc(NC(=O)NC(C)(C)C[NH+](C)C)n(C2CCN(C)CC2)n1 ZINC000454931365 447007833 /nfs/dbraw/zinc/00/78/33/447007833.db2.gz UNJTZXRXUZHQAX-UHFFFAOYSA-N 1 3 336.484 1.920 20 0 EDADHO CN(CCN)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419206268 447010870 /nfs/dbraw/zinc/01/08/70/447010870.db2.gz MJRKRKANMYUHGX-UHFFFAOYSA-N 1 3 346.475 1.096 20 0 EDADHO COC1(C(=O)NC[C@H]2CCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099678 447000612 /nfs/dbraw/zinc/00/06/12/447000612.db2.gz XOQWTFXUGCPAOF-HIFRSBDPSA-N 1 3 337.489 1.626 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431276 447170346 /nfs/dbraw/zinc/17/03/46/447170346.db2.gz XEBFKTOGVVURTP-XHSDSOJGSA-N 1 3 340.512 1.104 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431276 447170351 /nfs/dbraw/zinc/17/03/51/447170351.db2.gz XEBFKTOGVVURTP-XHSDSOJGSA-N 1 3 340.512 1.104 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648569 447253201 /nfs/dbraw/zinc/25/32/01/447253201.db2.gz VBJSWYKCOMAZFD-IPMKNSEASA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648569 447253208 /nfs/dbraw/zinc/25/32/08/447253208.db2.gz VBJSWYKCOMAZFD-IPMKNSEASA-N 1 3 344.503 1.895 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCO1 ZINC000425733421 447282938 /nfs/dbraw/zinc/28/29/38/447282938.db2.gz AKPMWHGRRFRSIO-IXDOHACOSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCCO1 ZINC000425733421 447282944 /nfs/dbraw/zinc/28/29/44/447282944.db2.gz AKPMWHGRRFRSIO-IXDOHACOSA-N 1 3 338.496 1.223 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1CN(C)C ZINC000415530122 447498316 /nfs/dbraw/zinc/49/83/16/447498316.db2.gz UCEPNLMZWOIRMU-KBPBESRZSA-N 1 3 332.448 1.191 20 0 EDADHO CCOc1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)ccc1O ZINC000459424218 447661406 /nfs/dbraw/zinc/66/14/06/447661406.db2.gz JBTIMMJDHLFSRQ-HNNXBMFYSA-N 1 3 335.448 1.468 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)C[NH+]1CCCCC1 ZINC000457958590 447684492 /nfs/dbraw/zinc/68/44/92/447684492.db2.gz ZKNHOGJEHFTJFJ-IAGOWNOFSA-N 1 3 340.512 1.254 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N(C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000416931246 447713413 /nfs/dbraw/zinc/71/34/13/447713413.db2.gz ZYKJVTLUUBUEEN-QGZVFWFLSA-N 1 3 334.464 1.691 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422711493 447723749 /nfs/dbraw/zinc/72/37/49/447723749.db2.gz NFBIPWGIGQWUKI-QFBILLFUSA-N 1 3 345.487 1.994 20 0 EDADHO CC[C@H](CNC(=[NH2+])NC[C@@H]1CCCN1CC)NC(=O)OC(C)(C)C ZINC000496177606 447733499 /nfs/dbraw/zinc/73/34/99/447733499.db2.gz IKGYKGBDHPFVLX-KGLIPLIRSA-N 1 3 341.500 1.888 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000422776383 447747373 /nfs/dbraw/zinc/74/73/73/447747373.db2.gz ALIITCCDTKQERT-MOPGFXCFSA-N 1 3 335.492 1.712 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782451 447749103 /nfs/dbraw/zinc/74/91/03/447749103.db2.gz MZLLFMSNJWWUDO-IEZWGBDMSA-N 1 3 327.476 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396036 447762920 /nfs/dbraw/zinc/76/29/20/447762920.db2.gz HFPCKVKSASJIEO-BMGDILEWSA-N 1 3 347.459 1.739 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422953161 447779744 /nfs/dbraw/zinc/77/97/44/447779744.db2.gz DLDYYEMFMPMUDV-OCCSQVGLSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953161 447779747 /nfs/dbraw/zinc/77/97/47/447779747.db2.gz DLDYYEMFMPMUDV-OCCSQVGLSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000422995269 447788990 /nfs/dbraw/zinc/78/89/90/447788990.db2.gz XQDQLOHRYAEVAL-OWCLPIDISA-N 1 3 343.479 1.448 20 0 EDADHO c1ccc(CN2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086100 447802465 /nfs/dbraw/zinc/80/24/65/447802465.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 1 3 329.488 1.865 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803783 /nfs/dbraw/zinc/80/37/83/447803783.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803786 /nfs/dbraw/zinc/80/37/86/447803786.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 1 3 325.497 1.722 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]2CN)s1 ZINC000423104990 447806228 /nfs/dbraw/zinc/80/62/28/447806228.db2.gz HYJOPRZJSHEBDV-RHYQMDGZSA-N 1 3 325.482 1.781 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000423104990 447806232 /nfs/dbraw/zinc/80/62/32/447806232.db2.gz HYJOPRZJSHEBDV-RHYQMDGZSA-N 1 3 325.482 1.781 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423117031 447808844 /nfs/dbraw/zinc/80/88/44/447808844.db2.gz SOSVHPGFYWILOW-MSOLQXFVSA-N 1 3 329.444 1.933 20 0 EDADHO O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000575991964 447946880 /nfs/dbraw/zinc/94/68/80/447946880.db2.gz JXMIDGMLIZCGDG-ZWKOTPCHSA-N 1 3 334.508 1.336 20 0 EDADHO O=C(OCc1ccccc1)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000497166663 447914816 /nfs/dbraw/zinc/91/48/16/447914816.db2.gz VDBXIFFNPMTFBM-ROUUACIJSA-N 1 3 347.459 1.444 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572004 447917570 /nfs/dbraw/zinc/91/75/70/447917570.db2.gz NOQRDDIBVPUVQB-FXAWDEMLSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530572004 447917576 /nfs/dbraw/zinc/91/75/76/447917576.db2.gz NOQRDDIBVPUVQB-FXAWDEMLSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000530676148 447938811 /nfs/dbraw/zinc/93/88/11/447938811.db2.gz ZNQKCRNEBAZVRV-QGZVFWFLSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000530676148 447938819 /nfs/dbraw/zinc/93/88/19/447938819.db2.gz ZNQKCRNEBAZVRV-QGZVFWFLSA-N 1 3 331.460 1.211 20 0 EDADHO C[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000497255091 448010088 /nfs/dbraw/zinc/01/00/88/448010088.db2.gz WCDFADFJINIRTH-LSDHHAIUSA-N 1 3 329.485 1.536 20 0 EDADHO C[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CN1CCCC1 ZINC000497255091 448010092 /nfs/dbraw/zinc/01/00/92/448010092.db2.gz WCDFADFJINIRTH-LSDHHAIUSA-N 1 3 329.485 1.536 20 0 EDADHO C[NH+](C)CC1CCN(CN2C[C@]3(CN4CCC3CC4)OC2=O)CC1 ZINC000496851470 447969190 /nfs/dbraw/zinc/96/91/90/447969190.db2.gz HQIVVVSMKQXOOE-SFHVURJKSA-N 1 3 336.480 1.134 20 0 EDADHO CC(C)[C@H](N)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497283131 448036527 /nfs/dbraw/zinc/03/65/27/448036527.db2.gz MRDVTZMBWQEUJU-KBAYOESNSA-N 1 3 349.475 1.985 20 0 EDADHO CN(C)Cc1cccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1 ZINC000497296992 448050693 /nfs/dbraw/zinc/05/06/93/448050693.db2.gz DEUJUUMARBUWCT-UHFFFAOYSA-N 1 3 349.479 1.887 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531303413 448059051 /nfs/dbraw/zinc/05/90/51/448059051.db2.gz HDJZPAKUXRLRBX-MBOZVWFJSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531303413 448059054 /nfs/dbraw/zinc/05/90/54/448059054.db2.gz HDJZPAKUXRLRBX-MBOZVWFJSA-N 1 3 345.487 1.612 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C1 ZINC000500786491 448088734 /nfs/dbraw/zinc/08/87/34/448088734.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)N(C)C1 ZINC000500786491 448088740 /nfs/dbraw/zinc/08/87/40/448088740.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 1 3 340.512 1.467 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000502555657 448101190 /nfs/dbraw/zinc/10/11/90/448101190.db2.gz BRSJBOVCRMQQBN-JYJNAYRXSA-N 1 3 325.497 1.865 20 0 EDADHO CC[C@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460369 448157456 /nfs/dbraw/zinc/15/74/56/448157456.db2.gz RFZFCSXUHGDCKK-PMACEKPBSA-N 1 3 349.519 1.522 20 0 EDADHO CC[C@H]1CN(C[C@@H](O)C[N@@H+](C)CCOC)CCN1Cc1ccccc1 ZINC000571460369 448157461 /nfs/dbraw/zinc/15/74/61/448157461.db2.gz RFZFCSXUHGDCKK-PMACEKPBSA-N 1 3 349.519 1.522 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000571433348 448153653 /nfs/dbraw/zinc/15/36/53/448153653.db2.gz YSVWOLBNXPIEHM-HKUYNNGSSA-N 1 3 348.487 1.825 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532077685 448195880 /nfs/dbraw/zinc/19/58/80/448195880.db2.gz VFVOHYMAKXWCNI-HHXXYDBFSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000532077685 448195885 /nfs/dbraw/zinc/19/58/85/448195885.db2.gz VFVOHYMAKXWCNI-HHXXYDBFSA-N 1 3 342.487 1.893 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000571810983 448210202 /nfs/dbraw/zinc/21/02/02/448210202.db2.gz JYZWMOVELQIFSL-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000577364448 448276784 /nfs/dbraw/zinc/27/67/84/448276784.db2.gz FHGKWLDRHMMJEL-UHFFFAOYSA-N 1 3 345.491 1.827 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000591092304 448258819 /nfs/dbraw/zinc/25/88/19/448258819.db2.gz YQFSFFHLFLHXPY-WMZOPIPTSA-N 1 3 331.460 1.900 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000591092304 448258824 /nfs/dbraw/zinc/25/88/24/448258824.db2.gz YQFSFFHLFLHXPY-WMZOPIPTSA-N 1 3 331.460 1.900 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCn1cnc2ccccc21 ZINC000591287116 448308020 /nfs/dbraw/zinc/30/80/20/448308020.db2.gz QEPYYCDUVJIQJT-UHFFFAOYSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000572114069 448289560 /nfs/dbraw/zinc/28/95/60/448289560.db2.gz BGZWKVBPTWCRPY-QGZVFWFLSA-N 1 3 335.492 1.350 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NCCn3ccnc3C)CC2)CC1 ZINC000572132825 448297344 /nfs/dbraw/zinc/29/73/44/448297344.db2.gz PCFGVNORPMUCJE-UHFFFAOYSA-N 1 3 347.507 1.504 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000577606367 448340394 /nfs/dbraw/zinc/34/03/94/448340394.db2.gz DUWLPOPNEDLWJZ-SFHVURJKSA-N 1 3 347.507 1.781 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000591436006 448362455 /nfs/dbraw/zinc/36/24/55/448362455.db2.gz XEOQRSRMKOLYLE-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000591436006 448362461 /nfs/dbraw/zinc/36/24/61/448362461.db2.gz XEOQRSRMKOLYLE-SFHVURJKSA-N 1 3 344.503 1.657 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000577723887 448368318 /nfs/dbraw/zinc/36/83/18/448368318.db2.gz IPTWUCKOUOBQJV-SFHVURJKSA-N 1 3 347.507 1.313 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(OCC3CCCC3)CC2)C1 ZINC000572463995 448383161 /nfs/dbraw/zinc/38/31/61/448383161.db2.gz ORBDDJJEHWYKLO-QGZVFWFLSA-N 1 3 337.508 1.855 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857460 448404654 /nfs/dbraw/zinc/40/46/54/448404654.db2.gz IUHROKHDYIZQKG-RDJZCZTQSA-N 1 3 343.471 1.570 20 0 EDADHO O=C(CCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000582900676 448373225 /nfs/dbraw/zinc/37/32/25/448373225.db2.gz RMEOXCFNDGLLNB-IRXDYDNUSA-N 1 3 332.448 1.378 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000516055904 448373378 /nfs/dbraw/zinc/37/33/78/448373378.db2.gz IYIPGSVWTWFQCI-GOSISDBHSA-N 1 3 330.476 1.178 20 0 EDADHO C[C@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000583084141 448421138 /nfs/dbraw/zinc/42/11/38/448421138.db2.gz YGSZABIIYZDMBC-RRQGHBQHSA-N 1 3 342.447 1.236 20 0 EDADHO CC[C@@H]1COCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516660646 448459653 /nfs/dbraw/zinc/45/96/53/448459653.db2.gz DBXRQCDMRQNZGE-QGZVFWFLSA-N 1 3 337.508 1.820 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508784 /nfs/dbraw/zinc/50/87/84/448508784.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508791 /nfs/dbraw/zinc/50/87/91/448508791.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 1 3 344.459 1.274 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982547 448517503 /nfs/dbraw/zinc/51/75/03/448517503.db2.gz JRMZWOXRQAXEPH-INIZCTEOSA-N 1 3 331.526 1.320 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982547 448517505 /nfs/dbraw/zinc/51/75/05/448517505.db2.gz JRMZWOXRQAXEPH-INIZCTEOSA-N 1 3 331.526 1.320 20 0 EDADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609963 448565145 /nfs/dbraw/zinc/56/51/45/448565145.db2.gz PCDVOCSMPLTJNC-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609963 448565149 /nfs/dbraw/zinc/56/51/49/448565149.db2.gz PCDVOCSMPLTJNC-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO CN(C(=O)CC1(C[NH3+])CC1)C1CCN(CCc2ccccn2)CC1 ZINC000578896211 448665068 /nfs/dbraw/zinc/66/50/68/448665068.db2.gz WBJBGYSZFBONFC-UHFFFAOYSA-N 1 3 330.476 1.676 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000573699311 448694202 /nfs/dbraw/zinc/69/42/02/448694202.db2.gz ITQGTFYZEXMOID-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462559 448699016 /nfs/dbraw/zinc/69/90/16/448699016.db2.gz OLACORNWFKMKME-HZSPNIEDSA-N 1 3 343.518 1.476 20 0 EDADHO COCCC[NH+]1CCC(NC[C@@H](O)COc2cccc(C)c2)CC1 ZINC000567378238 448680772 /nfs/dbraw/zinc/68/07/72/448680772.db2.gz UVEPFHXRUQCIAZ-GOSISDBHSA-N 1 3 336.476 1.825 20 0 EDADHO NC(=O)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830838 448726147 /nfs/dbraw/zinc/72/61/47/448726147.db2.gz LFDRAPXYHGTXSF-HNAYVOBHSA-N 1 3 329.444 1.878 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@@H]1C[NH3+] ZINC000519538460 448780438 /nfs/dbraw/zinc/78/04/38/448780438.db2.gz FDTCDGMBFVLXTA-NXHRZFHOSA-N 1 3 330.476 1.737 20 0 EDADHO COc1cc(C[NH2+]CCCCN2CCN(C)CC2)cc(OC)c1O ZINC000520273718 448879484 /nfs/dbraw/zinc/87/94/84/448879484.db2.gz JNGNFLOIRPCWRD-UHFFFAOYSA-N 1 3 337.464 1.527 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000568372665 448863149 /nfs/dbraw/zinc/86/31/49/448863149.db2.gz GMPMNIOUHLEZIG-SZMVWBNQSA-N 1 3 346.475 1.409 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000568880154 448935607 /nfs/dbraw/zinc/93/56/07/448935607.db2.gz NOQRAOBZOOUIPI-MJGOQNOKSA-N 1 3 348.487 1.609 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000568880154 448935611 /nfs/dbraw/zinc/93/56/11/448935611.db2.gz NOQRAOBZOOUIPI-MJGOQNOKSA-N 1 3 348.487 1.609 20 0 EDADHO CS[C@H]1CN(C(=O)CCN(C)c2ccncc2)C[C@@H]1[NH+]1CCCC1 ZINC000547950225 448952777 /nfs/dbraw/zinc/95/27/77/448952777.db2.gz OTZLCIZLJAUIEQ-IRXDYDNUSA-N 1 3 348.516 1.946 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)nn1 ZINC000574739610 448943715 /nfs/dbraw/zinc/94/37/15/448943715.db2.gz UPYWXOIUMWEMPJ-GOSISDBHSA-N 1 3 337.431 1.760 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)nn1 ZINC000574739610 448943718 /nfs/dbraw/zinc/94/37/18/448943718.db2.gz UPYWXOIUMWEMPJ-GOSISDBHSA-N 1 3 337.431 1.760 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000521621812 449002606 /nfs/dbraw/zinc/00/26/06/449002606.db2.gz FPCMKERLFPGPTE-AWEZNQCLSA-N 1 3 342.447 1.086 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548717035 449088614 /nfs/dbraw/zinc/08/86/14/449088614.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548717035 449088618 /nfs/dbraw/zinc/08/86/18/449088618.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 1 3 325.497 1.868 20 0 EDADHO COC(=O)c1cnc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000602023440 449280644 /nfs/dbraw/zinc/28/06/44/449280644.db2.gz XBUPOQQPAMNNBS-NSHDSACASA-N 1 3 347.444 1.907 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccn1 ZINC000616998839 449423187 /nfs/dbraw/zinc/42/31/87/449423187.db2.gz XIICIKSFFXZRML-OAHLLOKOSA-N 1 3 348.491 1.872 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccn1 ZINC000616998839 449423192 /nfs/dbraw/zinc/42/31/92/449423192.db2.gz XIICIKSFFXZRML-OAHLLOKOSA-N 1 3 348.491 1.872 20 0 EDADHO CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000617507224 449657505 /nfs/dbraw/zinc/65/75/05/449657505.db2.gz MTHQIVHRFWEDBE-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO CO[C@@H]1CCC[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000617507224 449657507 /nfs/dbraw/zinc/65/75/07/449657507.db2.gz MTHQIVHRFWEDBE-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602542433 449663223 /nfs/dbraw/zinc/66/32/23/449663223.db2.gz XJZHXPMLCZGRKE-CQSZACIVSA-N 1 3 336.480 1.473 20 0 EDADHO CC(=O)Nc1cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617502481 449644494 /nfs/dbraw/zinc/64/44/94/449644494.db2.gz QVUIJLUEZJWHGO-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO CC(=O)Nc1cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617502481 449644498 /nfs/dbraw/zinc/64/44/98/449644498.db2.gz QVUIJLUEZJWHGO-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CCN(CCO)CC1 ZINC000601219122 449756351 /nfs/dbraw/zinc/75/63/51/449756351.db2.gz ZSVQLAVZOCIAEH-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CCN(CCO)CC1 ZINC000601219122 449756357 /nfs/dbraw/zinc/75/63/57/449756357.db2.gz ZSVQLAVZOCIAEH-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978971 449968311 /nfs/dbraw/zinc/96/83/11/449968311.db2.gz CVOGBMAKJOAVLP-KBAYOESNSA-N 1 3 342.487 1.948 20 0 EDADHO CN(C)CCOCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613283926 450116793 /nfs/dbraw/zinc/11/67/93/450116793.db2.gz BFDDBXCFXZBATG-GOSISDBHSA-N 1 3 333.476 1.560 20 0 EDADHO [NH3+]CCSCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000603261656 450189519 /nfs/dbraw/zinc/18/95/19/450189519.db2.gz SVLKSUAMRLLMRV-QGZVFWFLSA-N 1 3 347.488 1.107 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H](OC)C3)CC2)CC1 ZINC000613810612 450324010 /nfs/dbraw/zinc/32/40/10/450324010.db2.gz HQESDAUCPRKWKC-QGZVFWFLSA-N 1 3 339.480 1.014 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000619899103 450367601 /nfs/dbraw/zinc/36/76/01/450367601.db2.gz LDBFWVFTGNUSLB-GOSISDBHSA-N 1 3 344.503 1.799 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000619899103 450367602 /nfs/dbraw/zinc/36/76/02/450367602.db2.gz LDBFWVFTGNUSLB-GOSISDBHSA-N 1 3 344.503 1.799 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000625866266 450524105 /nfs/dbraw/zinc/52/41/05/450524105.db2.gz AYMJMADEXULFBJ-JSGCOSHPSA-N 1 3 334.468 1.720 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000623508872 450534930 /nfs/dbraw/zinc/53/49/30/450534930.db2.gz KPAHQBGZHWSRBI-LRYGQEGESA-N 1 3 339.524 1.719 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000623508872 450534932 /nfs/dbraw/zinc/53/49/32/450534932.db2.gz KPAHQBGZHWSRBI-LRYGQEGESA-N 1 3 339.524 1.719 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCSC1 ZINC000625985558 450549193 /nfs/dbraw/zinc/54/91/93/450549193.db2.gz TZEGPURGAKAWOC-YQVWRLOYSA-N 1 3 347.528 1.885 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCSC1 ZINC000625985558 450549194 /nfs/dbraw/zinc/54/91/94/450549194.db2.gz TZEGPURGAKAWOC-YQVWRLOYSA-N 1 3 347.528 1.885 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H]2COCCN2C)CC1 ZINC000623711630 450570051 /nfs/dbraw/zinc/57/00/51/450570051.db2.gz KKCXFNNADLMCSO-IBGZPJMESA-N 1 3 346.519 1.639 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000623837758 450611167 /nfs/dbraw/zinc/61/11/67/450611167.db2.gz SMHFRCFFVBLKHR-IBGZPJMESA-N 1 3 346.519 1.375 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)NCCN(C)CCCOC)CC1 ZINC000633053947 450650243 /nfs/dbraw/zinc/65/02/43/450650243.db2.gz VRKKYGGRNBATHC-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624007832 450668777 /nfs/dbraw/zinc/66/87/77/450668777.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 1 3 327.436 1.045 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(N)nc(N)n1 ZINC000624007832 450668782 /nfs/dbraw/zinc/66/87/82/450668782.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 1 3 327.436 1.045 20 0 EDADHO CN1CCC(Oc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581305 450749291 /nfs/dbraw/zinc/74/92/91/450749291.db2.gz VOJDSPGHKJBZJU-SFHVURJKSA-N 1 3 347.503 1.706 20 0 EDADHO O[C@@H]1CCN(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000624229751 450755779 /nfs/dbraw/zinc/75/57/79/450755779.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624229751 450755782 /nfs/dbraw/zinc/75/57/82/450755782.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624229751 450755784 /nfs/dbraw/zinc/75/57/84/450755784.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756018 /nfs/dbraw/zinc/75/60/18/450756018.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756022 /nfs/dbraw/zinc/75/60/22/450756022.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450756024 /nfs/dbraw/zinc/75/60/24/450756024.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 1 3 343.515 1.943 20 0 EDADHO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000621668398 450824496 /nfs/dbraw/zinc/82/44/96/450824496.db2.gz DOBUXUUJAXJNCH-APWZRJJASA-N 1 3 345.487 1.649 20 0 EDADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000621699268 450840539 /nfs/dbraw/zinc/84/05/39/450840539.db2.gz QFHRIJSZTPMWJR-FXAWDEMLSA-N 1 3 342.487 1.539 20 0 EDADHO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)CCCN1CCCC1 ZINC000631904338 450863259 /nfs/dbraw/zinc/86/32/59/450863259.db2.gz LBXSPXUTNCMPLO-UHFFFAOYSA-N 1 3 337.489 1.714 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940372 450897535 /nfs/dbraw/zinc/89/75/35/450897535.db2.gz UVCRBWFZXKUWSV-IAGOWNOFSA-N 1 3 343.537 1.514 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000635408914 450916125 /nfs/dbraw/zinc/91/61/25/450916125.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 1 3 349.519 1.964 20 0 EDADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000635408914 450916130 /nfs/dbraw/zinc/91/61/30/450916130.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 1 3 349.519 1.964 20 0 EDADHO CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000626854334 450962629 /nfs/dbraw/zinc/96/26/29/450962629.db2.gz HSVKFACVJAUHMG-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO CN(C)CCn1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000633656474 450967405 /nfs/dbraw/zinc/96/74/05/450967405.db2.gz PKHMYZXAMLHRFJ-UHFFFAOYSA-N 1 3 333.480 1.297 20 0 EDADHO CCN1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026768 450978506 /nfs/dbraw/zinc/97/85/06/450978506.db2.gz LWFFAQYZAQJSRT-HZPDHXFCSA-N 1 3 331.526 1.464 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000626997730 451062962 /nfs/dbraw/zinc/06/29/62/451062962.db2.gz CAUSOTYKQOUWAA-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012433 451077564 /nfs/dbraw/zinc/07/75/64/451077564.db2.gz AVAPYTYNWFXJLF-DOTOQJQBSA-N 1 3 334.464 1.172 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034430 451092753 /nfs/dbraw/zinc/09/27/53/451092753.db2.gz GOVWGIHYDHXFMI-KBPBESRZSA-N 1 3 338.452 1.516 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628051036 451105579 /nfs/dbraw/zinc/10/55/79/451105579.db2.gz TYWDHBOXGORSDL-KXBFYZLASA-N 1 3 349.475 1.605 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C)COc2ccccc2O1 ZINC000628051036 451105582 /nfs/dbraw/zinc/10/55/82/451105582.db2.gz TYWDHBOXGORSDL-KXBFYZLASA-N 1 3 349.475 1.605 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000627071842 451111357 /nfs/dbraw/zinc/11/13/57/451111357.db2.gz VVLZCMYPBYJVJX-QGZVFWFLSA-N 1 3 336.480 1.687 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627155634 451153081 /nfs/dbraw/zinc/15/30/81/451153081.db2.gz ATALYZILAUCGGI-UHFFFAOYSA-N 1 3 334.464 1.268 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)NCCOCCC[NH3+])CC1 ZINC000627212478 451190309 /nfs/dbraw/zinc/19/03/09/451190309.db2.gz WPHCRZXPHTVADT-UHFFFAOYSA-N 1 3 338.452 1.251 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000638082603 451245776 /nfs/dbraw/zinc/24/57/76/451245776.db2.gz FMWKIYIFMYEUMI-SFHVURJKSA-N 1 3 332.492 1.294 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000638085326 451250358 /nfs/dbraw/zinc/25/03/58/451250358.db2.gz XUCOKAUJJRIILV-XSWJXKHESA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H](NC(=O)[C@H](N)CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091638 451257956 /nfs/dbraw/zinc/25/79/56/451257956.db2.gz PGABUHWJUNSVPG-CRAIPNDOSA-N 1 3 332.492 1.292 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000638111037 451278131 /nfs/dbraw/zinc/27/81/31/451278131.db2.gz BIPGHZHTVSVNBS-INIZCTEOSA-N 1 3 342.443 1.498 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556936 451300047 /nfs/dbraw/zinc/30/00/47/451300047.db2.gz IWEBLJDNIOVSBG-ZWKOTPCHSA-N 1 3 346.475 1.189 20 0 EDADHO [NH3+]C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)c2ccccc21 ZINC000634690897 451466754 /nfs/dbraw/zinc/46/67/54/451466754.db2.gz WMPDKCJXSHTLKN-HNNXBMFYSA-N 1 3 342.487 1.682 20 0 EDADHO CCCN(CCN(C)C)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638377656 451473443 /nfs/dbraw/zinc/47/34/43/451473443.db2.gz QYEVKDWENONMIL-NSHDSACASA-N 1 3 344.410 1.164 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000634706528 451484226 /nfs/dbraw/zinc/48/42/26/451484226.db2.gz RASJVHRAVILYGR-SFHVURJKSA-N 1 3 340.508 1.666 20 0 EDADHO OC[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719926 451499641 /nfs/dbraw/zinc/49/96/41/451499641.db2.gz BPLYPXXLMIVQAZ-SFTDATJTSA-N 1 3 340.467 1.989 20 0 EDADHO OC[C@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719926 451499646 /nfs/dbraw/zinc/49/96/46/451499646.db2.gz BPLYPXXLMIVQAZ-SFTDATJTSA-N 1 3 340.467 1.989 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640678471 451505596 /nfs/dbraw/zinc/50/55/96/451505596.db2.gz RDNMFDUKTQYCCZ-JXFKEZNVSA-N 1 3 347.503 1.863 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(C)OCCc2ccccc21 ZINC000640678471 451505600 /nfs/dbraw/zinc/50/56/00/451505600.db2.gz RDNMFDUKTQYCCZ-JXFKEZNVSA-N 1 3 347.503 1.863 20 0 EDADHO CCCN(CC)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636793902 451514610 /nfs/dbraw/zinc/51/46/10/451514610.db2.gz DLHCMKFUONMTLD-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837728 451545392 /nfs/dbraw/zinc/54/53/92/451545392.db2.gz UEIGCSQNRJTHKE-INIZCTEOSA-N 1 3 334.468 1.756 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000638570837 451582743 /nfs/dbraw/zinc/58/27/43/451582743.db2.gz BPFAJVQSEBITLK-ZWKOTPCHSA-N 1 3 330.476 1.455 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc4c(cn3)OCCO4)C2)CC1 ZINC000638589763 451592596 /nfs/dbraw/zinc/59/25/96/451592596.db2.gz YEDJXTCLVNVXEB-CQSZACIVSA-N 1 3 332.448 1.111 20 0 EDADHO C[NH+](C)CCOc1ccccc1CN[C@@H]1CCCS(=O)(=O)CC1 ZINC000634957608 451624438 /nfs/dbraw/zinc/62/44/38/451624438.db2.gz RQWGTKXQMCVTEG-MRXNPFEDSA-N 1 3 340.489 1.684 20 0 EDADHO COCC[NH2+]CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664866 451639706 /nfs/dbraw/zinc/63/97/06/451639706.db2.gz WPOMLDMMNDQLJA-AWEZNQCLSA-N 1 3 348.274 1.948 20 0 EDADHO O=C(CN1CCC([NH2+]CC23CC(C2)CN3)CC1)Nc1ccccc1 ZINC000634995583 451642009 /nfs/dbraw/zinc/64/20/09/451642009.db2.gz JGHRFMRUEGZBDN-UHFFFAOYSA-N 1 3 328.460 1.431 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844012 451707860 /nfs/dbraw/zinc/70/78/60/451707860.db2.gz VJJMUZQSMWPDDH-APWZRJJASA-N 1 3 331.460 1.481 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000632962104 451670753 /nfs/dbraw/zinc/67/07/53/451670753.db2.gz XHHASKLPNMIBDR-QLFBSQMISA-N 1 3 346.479 1.659 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCCC3=CC[NH2+]CC3)cn2)CC1 ZINC000632962342 451670894 /nfs/dbraw/zinc/67/08/94/451670894.db2.gz ZRJULSYGHPOGAY-UHFFFAOYSA-N 1 3 332.452 1.581 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000638938956 451740504 /nfs/dbraw/zinc/74/05/04/451740504.db2.gz ZRBKZLPYZCYXJD-NVXWUHKLSA-N 1 3 330.476 1.779 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151134 451741699 /nfs/dbraw/zinc/74/16/99/451741699.db2.gz XPJDZCIHTUPMPA-SZMVWBNQSA-N 1 3 346.475 1.015 20 0 EDADHO C[C@H](CC(=O)Nc1cc(N2CCNCC2)ccn1)C1CC[NH2+]CC1 ZINC000638986899 451747001 /nfs/dbraw/zinc/74/70/01/451747001.db2.gz GXSIMYRKAZHGGU-CQSZACIVSA-N 1 3 331.464 1.456 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000637347211 451796647 /nfs/dbraw/zinc/79/66/47/451796647.db2.gz CHOJFIOMWOOVHO-MRXNPFEDSA-N 1 3 330.476 1.902 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310948 451820105 /nfs/dbraw/zinc/82/01/05/451820105.db2.gz ZNSIOOIUZREJRT-IPMKNSEASA-N 1 3 334.460 1.394 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561693 451863220 /nfs/dbraw/zinc/86/32/20/451863220.db2.gz FELZUFPLYUPULU-MJGOQNOKSA-N 1 3 347.503 1.493 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000642439986 451880085 /nfs/dbraw/zinc/88/00/85/451880085.db2.gz UOEBRCCEWYDDLJ-JKSUJKDBSA-N 1 3 338.496 1.001 20 0 EDADHO CN1CC[NH+](CC2(C)CCN([C@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639582760 451955694 /nfs/dbraw/zinc/95/56/94/451955694.db2.gz FOGPLSPPUXMCEK-SFHVURJKSA-N 1 3 348.535 1.489 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)COC1(C)CNC1)Cc1ccccc1 ZINC000649292588 451968935 /nfs/dbraw/zinc/96/89/35/451968935.db2.gz RICYWQAESFITPM-KRWDZBQOSA-N 1 3 333.476 1.434 20 0 EDADHO C[N@H+](CCCNC(=O)CN1CCCC[C@@H](N)C1=O)C1CCCCC1 ZINC000649293707 451969331 /nfs/dbraw/zinc/96/93/31/451969331.db2.gz FQMOPQSUDOCDGG-MRXNPFEDSA-N 1 3 338.496 1.097 20 0 EDADHO C[N@@H+](CCCNC(=O)CN1CCCC[C@@H](N)C1=O)C1CCCCC1 ZINC000649293707 451969336 /nfs/dbraw/zinc/96/93/36/451969336.db2.gz FQMOPQSUDOCDGG-MRXNPFEDSA-N 1 3 338.496 1.097 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303973 451979634 /nfs/dbraw/zinc/97/96/34/451979634.db2.gz WOTZFGLGRRJTQZ-MOPGFXCFSA-N 1 3 345.487 1.812 20 0 EDADHO CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000642907503 451984761 /nfs/dbraw/zinc/98/47/61/451984761.db2.gz ABJXBKMICDXSQP-YQQAZPJKSA-N 1 3 346.475 1.134 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000642976687 452004908 /nfs/dbraw/zinc/00/49/08/452004908.db2.gz MTJKYYYIGNGFMK-PBHICJAKSA-N 1 3 344.459 1.019 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)N2CCN(c3ccncc3)CC2)CC1 ZINC000643248494 452094116 /nfs/dbraw/zinc/09/41/16/452094116.db2.gz ZOPWBHKNXRVPCT-UHFFFAOYSA-N 1 3 331.464 1.786 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639760138 452097958 /nfs/dbraw/zinc/09/79/58/452097958.db2.gz REYLRZDZDBHTLV-UHFFFAOYSA-N 1 3 345.487 1.772 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130233 /nfs/dbraw/zinc/13/02/33/452130233.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 1 3 337.508 1.963 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130236 /nfs/dbraw/zinc/13/02/36/452130236.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 1 3 337.508 1.963 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610692 452166260 /nfs/dbraw/zinc/16/62/60/452166260.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO C[N@H+]1CCC[C@@H]1CN1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610692 452166265 /nfs/dbraw/zinc/16/62/65/452166265.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 1 3 342.531 1.973 20 0 EDADHO C[C@@H](O)CN(Cc1cncc(C[N@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170709 /nfs/dbraw/zinc/17/07/09/452170709.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 1 3 333.476 1.772 20 0 EDADHO C[C@@H](O)CN(Cc1cncc(C[N@@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170717 /nfs/dbraw/zinc/17/07/17/452170717.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 1 3 333.476 1.772 20 0 EDADHO C[C@@H](O)C[N@@H+](Cc1cncc(CN(C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170721 /nfs/dbraw/zinc/17/07/21/452170721.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 1 3 333.476 1.772 20 0 EDADHO C[C@@H](O)C[N@H+](Cc1cncc(CN(C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170726 /nfs/dbraw/zinc/17/07/26/452170726.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 1 3 333.476 1.772 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)n2)CC1 ZINC000654052784 452220186 /nfs/dbraw/zinc/22/01/86/452220186.db2.gz BJWSMFPHQRSWMZ-OTVXOJSOSA-N 1 3 334.468 1.612 20 0 EDADHO C[C@H](CO)[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661447853 452248485 /nfs/dbraw/zinc/24/84/85/452248485.db2.gz ZNLDQXOZPVBKST-NEWSRXKRSA-N 1 3 347.503 1.888 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000663545937 452251480 /nfs/dbraw/zinc/25/14/80/452251480.db2.gz QPBBPZBHLPHDGM-KRWDZBQOSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659438005 452287300 /nfs/dbraw/zinc/28/73/00/452287300.db2.gz LQKYUAXWNVHTEK-QZTJIDSGSA-N 1 3 348.491 1.400 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)N[C@H]1CC12CC[NH2+]CC2 ZINC000643536115 452301205 /nfs/dbraw/zinc/30/12/05/452301205.db2.gz MVOGRYAEBVTHRI-BBRMVZONSA-N 1 3 337.489 1.744 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000645354260 452333124 /nfs/dbraw/zinc/33/31/24/452333124.db2.gz QUVGYUOYMRMDKB-GJZGRUSLSA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCOCC1 ZINC000665760821 452333356 /nfs/dbraw/zinc/33/33/56/452333356.db2.gz PNRJTGHRDJKTCB-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CC1CCOCC1 ZINC000665760821 452333367 /nfs/dbraw/zinc/33/33/67/452333367.db2.gz PNRJTGHRDJKTCB-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H](Cc1ccccn1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763495 452344529 /nfs/dbraw/zinc/34/45/29/452344529.db2.gz CGWJTNWRZHWOPR-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@H](Cc1ccccn1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763495 452344536 /nfs/dbraw/zinc/34/45/36/452344536.db2.gz CGWJTNWRZHWOPR-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638060570 452351168 /nfs/dbraw/zinc/35/11/68/452351168.db2.gz XJAJTKKNRZAKFS-ZWKOTPCHSA-N 1 3 332.492 1.388 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659512065 452376398 /nfs/dbraw/zinc/37/63/98/452376398.db2.gz LROQASDBCZNZHT-SFHVURJKSA-N 1 3 348.491 1.441 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638069953 452377454 /nfs/dbraw/zinc/37/74/54/452377454.db2.gz NVZWNFFAWGXQCU-FUHWJXTLSA-N 1 3 332.492 1.436 20 0 EDADHO CN(C)c1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657611651 452388724 /nfs/dbraw/zinc/38/87/24/452388724.db2.gz BDOAZULJCXCRDS-UHFFFAOYSA-N 1 3 340.475 1.939 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000659524888 452388835 /nfs/dbraw/zinc/38/88/35/452388835.db2.gz WQBCIJVFFRJINC-KBXCAEBGSA-N 1 3 346.475 1.759 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659536660 452395518 /nfs/dbraw/zinc/39/55/18/452395518.db2.gz ISETVADXQFUWPX-YJBOKZPZSA-N 1 3 345.491 1.591 20 0 EDADHO NC(=O)C1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000661595629 452395742 /nfs/dbraw/zinc/39/57/42/452395742.db2.gz WELJFRJYPRAHRJ-UHFFFAOYSA-N 1 3 331.460 1.797 20 0 EDADHO N[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652208581 452404513 /nfs/dbraw/zinc/40/45/13/452404513.db2.gz IVVGRPBGAYGYRI-MLHJIOFPSA-N 1 3 346.475 1.614 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659611638 452469525 /nfs/dbraw/zinc/46/95/25/452469525.db2.gz SRAVFHPUSSZXRK-YVSFHVDLSA-N 1 3 338.496 1.399 20 0 EDADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000652294260 452477894 /nfs/dbraw/zinc/47/78/94/452477894.db2.gz YKDLDSIKSZMKAO-UHFFFAOYSA-N 1 3 346.475 1.631 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000663762527 452490574 /nfs/dbraw/zinc/49/05/74/452490574.db2.gz DAPRPBAEICGDKB-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000663762527 452490583 /nfs/dbraw/zinc/49/05/83/452490583.db2.gz DAPRPBAEICGDKB-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000652338206 452508102 /nfs/dbraw/zinc/50/81/02/452508102.db2.gz JPDXKEOCCJGDQP-OCCSQVGLSA-N 1 3 339.402 1.080 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000652338206 452508110 /nfs/dbraw/zinc/50/81/10/452508110.db2.gz JPDXKEOCCJGDQP-OCCSQVGLSA-N 1 3 339.402 1.080 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346181 452518921 /nfs/dbraw/zinc/51/89/21/452518921.db2.gz VSXUYWMGAKZRJS-WNRNVDISSA-N 1 3 337.508 1.852 20 0 EDADHO OC1CCN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655698884 452520099 /nfs/dbraw/zinc/52/00/99/452520099.db2.gz YUXBLHXDTKDJGS-GOSISDBHSA-N 1 3 325.497 1.066 20 0 EDADHO O=c1[nH]c2ccccc2n1CCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655730320 452542115 /nfs/dbraw/zinc/54/21/15/452542115.db2.gz IMSLMOUJDJRFGZ-HNNXBMFYSA-N 1 3 330.432 1.585 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930744 452700479 /nfs/dbraw/zinc/70/04/79/452700479.db2.gz UAUIHQZKXZEFMM-NHCYSSNCSA-N 1 3 336.358 1.898 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655930776 452700904 /nfs/dbraw/zinc/70/09/04/452700904.db2.gz BRRLOGLOGIYDRL-NSHDSACASA-N 1 3 338.399 1.711 20 0 EDADHO C[C@H](Cn1cccn1)NCC1(C[NH2+][C@@H](C)Cn2cccn2)CCC1 ZINC000647962936 452707242 /nfs/dbraw/zinc/70/72/42/452707242.db2.gz BKCPQOHIDGVKDF-CALCHBBNSA-N 1 3 330.480 1.906 20 0 EDADHO C[C@H](Cn1cccn1)[NH2+]CC1(CN[C@@H](C)Cn2cccn2)CCC1 ZINC000647962936 452707245 /nfs/dbraw/zinc/70/72/45/452707245.db2.gz BKCPQOHIDGVKDF-CALCHBBNSA-N 1 3 330.480 1.906 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647977432 452722703 /nfs/dbraw/zinc/72/27/03/452722703.db2.gz BFMHMLGXDUDEHV-XWSJACJDSA-N 1 3 349.519 1.868 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H]1CNc2ccnn2C1 ZINC000648035015 452771235 /nfs/dbraw/zinc/77/12/35/452771235.db2.gz OWPLOLKHVNTZTQ-IRXDYDNUSA-N 1 3 334.512 1.273 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H]1CNc2ccnn2C1 ZINC000648035015 452771246 /nfs/dbraw/zinc/77/12/46/452771246.db2.gz OWPLOLKHVNTZTQ-IRXDYDNUSA-N 1 3 334.512 1.273 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCN2CCCCC2)cc1 ZINC000652645274 452802439 /nfs/dbraw/zinc/80/24/39/452802439.db2.gz VTSBMTKJZVQCRA-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO O=C(c1ccc2c(c1)CNC2)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648115257 452831016 /nfs/dbraw/zinc/83/10/16/452831016.db2.gz MMTWJNQMXNILRS-INIZCTEOSA-N 1 3 336.439 1.937 20 0 EDADHO CCN1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342496 452857186 /nfs/dbraw/zinc/85/71/86/452857186.db2.gz ABARFZGBDDSSLS-HXUWFJFHSA-N 1 3 330.520 1.877 20 0 EDADHO CC[NH+]1CCC(NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342496 452857193 /nfs/dbraw/zinc/85/71/93/452857193.db2.gz ABARFZGBDDSSLS-HXUWFJFHSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@@H](CNC[C@@H](O)C[N@H+](C)Cc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153492 452906871 /nfs/dbraw/zinc/90/68/71/452906871.db2.gz SYZDSPTXQNQODS-PNYFIKQUSA-N 1 3 349.519 1.567 20 0 EDADHO C[C@@H](CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153492 452906875 /nfs/dbraw/zinc/90/68/75/452906875.db2.gz SYZDSPTXQNQODS-PNYFIKQUSA-N 1 3 349.519 1.567 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000645935938 452914211 /nfs/dbraw/zinc/91/42/11/452914211.db2.gz NIQOXDHCXQPXPE-KRWDZBQOSA-N 1 3 331.460 1.258 20 0 EDADHO CNC(=O)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722370 452952660 /nfs/dbraw/zinc/95/26/60/452952660.db2.gz QXZDJBAVGRRQDH-KZNAEPCWSA-N 1 3 331.460 1.907 20 0 EDADHO c1ccc2c(c1)cccc2CN1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662257703 452985456 /nfs/dbraw/zinc/98/54/56/452985456.db2.gz FTWJYPAIIIEEIG-IBGZPJMESA-N 1 3 325.456 1.946 20 0 EDADHO CC(C)c1nnc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664315121 452990171 /nfs/dbraw/zinc/99/01/71/452990171.db2.gz RLBYWRFCZLPGDZ-LBPRGKRZSA-N 1 3 327.498 1.663 20 0 EDADHO CC(C)c1nnc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664315121 452990176 /nfs/dbraw/zinc/99/01/76/452990176.db2.gz RLBYWRFCZLPGDZ-LBPRGKRZSA-N 1 3 327.498 1.663 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@H]4CNCCO4)CC[C@@H]32)cc1 ZINC000662278789 453004856 /nfs/dbraw/zinc/00/48/56/453004856.db2.gz ARLSQPCDLVVSGG-AQNXPRMDSA-N 1 3 329.488 1.961 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4CNCCO4)CC[C@@H]32)cc1 ZINC000662278789 453004865 /nfs/dbraw/zinc/00/48/65/453004865.db2.gz ARLSQPCDLVVSGG-AQNXPRMDSA-N 1 3 329.488 1.961 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000664369090 453040123 /nfs/dbraw/zinc/04/01/23/453040123.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 1 3 339.528 1.183 20 0 EDADHO CCc1nocc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337223 453053216 /nfs/dbraw/zinc/05/32/16/453053216.db2.gz KHIOMGHXLZMIKZ-AWEZNQCLSA-N 1 3 344.463 1.749 20 0 EDADHO CC(C)CNC(=O)CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000660139302 453069749 /nfs/dbraw/zinc/06/97/49/453069749.db2.gz RPCQUXULDNYBAU-UHFFFAOYSA-N 1 3 326.529 1.497 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000666759496 453124124 /nfs/dbraw/zinc/12/41/24/453124124.db2.gz GCYBTQFFFNHUAL-MRXNPFEDSA-N 1 3 328.501 1.326 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000655014691 453136013 /nfs/dbraw/zinc/13/60/13/453136013.db2.gz ZPEZTCVJVMOXCH-GOSISDBHSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000662437505 453144488 /nfs/dbraw/zinc/14/44/88/453144488.db2.gz RQPSMEOGEYQCGS-HOTGVXAUSA-N 1 3 340.512 1.056 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)C1 ZINC000662462730 453172518 /nfs/dbraw/zinc/17/25/18/453172518.db2.gz PHIMBAZCZCODKY-HNNXBMFYSA-N 1 3 348.516 1.246 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)C1 ZINC000662462730 453172527 /nfs/dbraw/zinc/17/25/27/453172527.db2.gz PHIMBAZCZCODKY-HNNXBMFYSA-N 1 3 348.516 1.246 20 0 EDADHO C[C@@H](CCNC(=O)NCC1CCN(c2ccncc2)CC1)[NH+](C)C ZINC000664577649 453212479 /nfs/dbraw/zinc/21/24/79/453212479.db2.gz TVTJVAGLGNPCEB-HNNXBMFYSA-N 1 3 333.480 1.937 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@](C)(CO)C(C)C)CC2)CC1 ZINC000655091083 453213354 /nfs/dbraw/zinc/21/33/54/453213354.db2.gz NGDJNSFNXGUSPE-LJQANCHMSA-N 1 3 339.524 1.706 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653043262 453229080 /nfs/dbraw/zinc/22/90/80/453229080.db2.gz KOFMIXXKGZRIFO-SCTDSRPQSA-N 1 3 331.460 1.422 20 0 EDADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCCN3CCC(O)CC3)cc21 ZINC000662524823 453245549 /nfs/dbraw/zinc/24/55/49/453245549.db2.gz ALCHJXLHDGDSPA-QGZVFWFLSA-N 1 3 345.487 1.642 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]4COC[C@@H]43)CC2)CC1 ZINC000655144821 453259016 /nfs/dbraw/zinc/25/90/16/453259016.db2.gz BOVPNNAWSOVUED-MJGOQNOKSA-N 1 3 349.519 1.820 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000664629639 453264030 /nfs/dbraw/zinc/26/40/30/453264030.db2.gz XLTYEOZBNMTKSG-KBPBESRZSA-N 1 3 339.459 1.853 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000664629639 453264036 /nfs/dbraw/zinc/26/40/36/453264036.db2.gz XLTYEOZBNMTKSG-KBPBESRZSA-N 1 3 339.459 1.853 20 0 EDADHO C[C@H](CCNC(=O)C(=O)Nc1cccc(CN)c1)[NH+]1CCCCC1 ZINC000666968028 453286053 /nfs/dbraw/zinc/28/60/53/453286053.db2.gz BUWAQQGMMNNSRO-CQSZACIVSA-N 1 3 332.448 1.465 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112801 453299370 /nfs/dbraw/zinc/29/93/70/453299370.db2.gz KDCZGVPDQJFWHY-HBFSDRIKSA-N 1 3 343.471 1.251 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CC[NH2+]C1 ZINC000662660122 453373101 /nfs/dbraw/zinc/37/31/01/453373101.db2.gz BTGDIIQBQZRGHZ-ICSRJNTNSA-N 1 3 345.487 1.388 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3CNCc4ccccc43)C2)C1 ZINC000653182956 453373851 /nfs/dbraw/zinc/37/38/51/453373851.db2.gz ZOOIEJJBCIGJDN-NBMJBFSESA-N 1 3 343.471 1.618 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000662660066 453374004 /nfs/dbraw/zinc/37/40/04/453374004.db2.gz BIPWVVGSVDAXTC-MSOLQXFVSA-N 1 3 332.492 1.041 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)Cc1ccccc1 ZINC000662663936 453377918 /nfs/dbraw/zinc/37/79/18/453377918.db2.gz QDQKCFBYXBDOTM-CQSZACIVSA-N 1 3 330.432 1.771 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1CNC2=O ZINC000667088685 453398730 /nfs/dbraw/zinc/39/87/30/453398730.db2.gz XQPJVNLKZAULQY-ZDUSSCGKSA-N 1 3 347.463 1.324 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1CNC2=O ZINC000667088685 453398735 /nfs/dbraw/zinc/39/87/35/453398735.db2.gz XQPJVNLKZAULQY-ZDUSSCGKSA-N 1 3 347.463 1.324 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](C)C1 ZINC000662680740 453400090 /nfs/dbraw/zinc/40/00/90/453400090.db2.gz XDQMMQVWYPSAFU-PMPSAXMXSA-N 1 3 348.495 1.443 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662680845 453400827 /nfs/dbraw/zinc/40/08/27/453400827.db2.gz MDPVDIMLASDZDS-CABCVRRESA-N 1 3 334.468 1.197 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662684191 453404701 /nfs/dbraw/zinc/40/47/01/453404701.db2.gz BPGIOFMKTGAWPB-XJKSGUPXSA-N 1 3 341.415 1.400 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000662707119 453431072 /nfs/dbraw/zinc/43/10/72/453431072.db2.gz CIYXHPJRIGBOHI-IBGZPJMESA-N 1 3 343.471 1.358 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662716127 453439665 /nfs/dbraw/zinc/43/96/65/453439665.db2.gz ACCAQRJVVQQAFD-UHFFFAOYSA-N 1 3 345.487 1.960 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1 ZINC000667156083 453442918 /nfs/dbraw/zinc/44/29/18/453442918.db2.gz SJARNHDWSXVPRA-MRXNPFEDSA-N 1 3 348.495 1.687 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664888608 453466287 /nfs/dbraw/zinc/46/62/87/453466287.db2.gz HJBZSPMYYWAXDM-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000651322060 453469132 /nfs/dbraw/zinc/46/91/32/453469132.db2.gz BJHVPXVEMOGNFL-HZPDHXFCSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000651322060 453469139 /nfs/dbraw/zinc/46/91/39/453469139.db2.gz BJHVPXVEMOGNFL-HZPDHXFCSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1C[C@H](C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000651322060 453469143 /nfs/dbraw/zinc/46/91/43/453469143.db2.gz BJHVPXVEMOGNFL-HZPDHXFCSA-N 1 3 345.491 1.039 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743867 453470456 /nfs/dbraw/zinc/47/04/56/453470456.db2.gz ABUNHHNXPFKDDO-CJNGLKHVSA-N 1 3 334.464 1.944 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602717 453504192 /nfs/dbraw/zinc/50/41/92/453504192.db2.gz CENLCXBTXZVXBO-SJLPKXTDSA-N 1 3 349.475 1.604 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602714 453504529 /nfs/dbraw/zinc/50/45/29/453504529.db2.gz CENLCXBTXZVXBO-AEFFLSMTSA-N 1 3 349.475 1.604 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789102 453522319 /nfs/dbraw/zinc/52/23/19/453522319.db2.gz SEISKWZNQABPSV-ZBFHGGJFSA-N 1 3 348.495 1.395 20 0 EDADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858062 453574210 /nfs/dbraw/zinc/57/42/10/453574210.db2.gz DRMABYCWTSDLJT-IRXDYDNUSA-N 1 3 331.460 1.258 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000662859739 453575731 /nfs/dbraw/zinc/57/57/31/453575731.db2.gz NYWVXWWCMSGGST-QZTJIDSGSA-N 1 3 343.471 1.259 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659018829 453582901 /nfs/dbraw/zinc/58/29/01/453582901.db2.gz KUWYXZSVKOQRSP-MRXNPFEDSA-N 1 3 332.448 1.781 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659018207 453583008 /nfs/dbraw/zinc/58/30/08/453583008.db2.gz OAVYATIWIVGFOO-GOSISDBHSA-N 1 3 344.459 1.707 20 0 EDADHO COC1([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC1 ZINC000665148885 453591071 /nfs/dbraw/zinc/59/10/71/453591071.db2.gz GALIEVAGAADRKO-LSDHHAIUSA-N 1 3 328.501 1.515 20 0 EDADHO COC1([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC1 ZINC000665148885 453591075 /nfs/dbraw/zinc/59/10/75/453591075.db2.gz GALIEVAGAADRKO-LSDHHAIUSA-N 1 3 328.501 1.515 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236164 453618709 /nfs/dbraw/zinc/61/87/09/453618709.db2.gz IRKNOFHSNLBEAD-JQWIXIFHSA-N 1 3 341.253 1.291 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236164 453618716 /nfs/dbraw/zinc/61/87/16/453618716.db2.gz IRKNOFHSNLBEAD-JQWIXIFHSA-N 1 3 341.253 1.291 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972707 453630979 /nfs/dbraw/zinc/63/09/79/453630979.db2.gz RFBUIFQNFSJXQQ-MBOZVWFJSA-N 1 3 349.519 1.757 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2NCc3ccccc32)CCO1 ZINC000662971677 453631026 /nfs/dbraw/zinc/63/10/26/453631026.db2.gz CZQUPOCUKJTVLQ-AEFFLSMTSA-N 1 3 331.460 1.790 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000663010506 453646177 /nfs/dbraw/zinc/64/61/77/453646177.db2.gz JXSUMVYUEUGKED-IBGZPJMESA-N 1 3 330.476 1.375 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC1 ZINC000663372276 453781824 /nfs/dbraw/zinc/78/18/24/453781824.db2.gz IDYZRCXTUWNJQB-IPMKNSEASA-N 1 3 345.487 1.772 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)C1CC1 ZINC000663372276 453781826 /nfs/dbraw/zinc/78/18/26/453781826.db2.gz IDYZRCXTUWNJQB-IPMKNSEASA-N 1 3 345.487 1.772 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534958 486799985 /nfs/dbraw/zinc/79/99/85/486799985.db2.gz AYPDANCVLGFSHD-ZIAGYGMSSA-N 1 3 326.485 1.445 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)n3cccn3)CC2)CC1 ZINC000667642383 486894915 /nfs/dbraw/zinc/89/49/15/486894915.db2.gz ZLXSOWHOMZDROM-UHFFFAOYSA-N 1 3 333.480 1.293 20 0 EDADHO COC1CCN(CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667752334 486949752 /nfs/dbraw/zinc/94/97/52/486949752.db2.gz RCVKOYKUAMNFTG-UHFFFAOYSA-N 1 3 332.448 1.565 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000667843431 486990516 /nfs/dbraw/zinc/99/05/16/486990516.db2.gz CTKPRXQJQYIQJH-UHFFFAOYSA-N 1 3 334.464 1.716 20 0 EDADHO COCCN1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951426 487029908 /nfs/dbraw/zinc/02/99/08/487029908.db2.gz SRASLNNRDOJSIV-ZWKOTPCHSA-N 1 3 333.476 1.906 20 0 EDADHO CN1CCN(C)[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677805541 487172141 /nfs/dbraw/zinc/17/21/41/487172141.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 1 3 330.520 1.875 20 0 EDADHO CN1CCN(C)[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677805541 487172146 /nfs/dbraw/zinc/17/21/46/487172146.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 1 3 330.520 1.875 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2nnnn2C)CC1 ZINC000678499590 487319756 /nfs/dbraw/zinc/31/97/56/487319756.db2.gz QLFCHHPRWCSKLW-UHFFFAOYSA-N 1 3 343.479 1.074 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669132509 485720448 /nfs/dbraw/zinc/72/04/48/485720448.db2.gz SICSCBBTRJRXSN-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669312713 485959929 /nfs/dbraw/zinc/95/99/29/485959929.db2.gz CQCLEZCSLGCHSV-IEBWSBKVSA-N 1 3 342.487 1.828 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCO1 ZINC000669483798 486250202 /nfs/dbraw/zinc/25/02/02/486250202.db2.gz NBZRYBCTKRBZPA-ROUUACIJSA-N 1 3 346.475 1.583 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000669496371 486270530 /nfs/dbraw/zinc/27/05/30/486270530.db2.gz GEOVEQPMQBMHOI-KRWDZBQOSA-N 1 3 330.476 1.527 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2)CC1 ZINC000154345505 529152996 /nfs/dbraw/zinc/15/29/96/529152996.db2.gz AGQDCBHRGMWTMS-UHFFFAOYSA-N 1 3 330.476 1.830 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000339318845 536544970 /nfs/dbraw/zinc/54/49/70/536544970.db2.gz RKVNXZJSKCHQBQ-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000339318845 536544978 /nfs/dbraw/zinc/54/49/78/536544978.db2.gz RKVNXZJSKCHQBQ-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000261916726 535438129 /nfs/dbraw/zinc/43/81/29/535438129.db2.gz QXKLXFUZLNZSJR-CRAIPNDOSA-N 1 3 325.497 1.850 20 0 EDADHO CC[NH+](CC)CC1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000336878095 535496353 /nfs/dbraw/zinc/49/63/53/535496353.db2.gz BFMIBYQMGITVMK-UHFFFAOYSA-N 1 3 338.496 1.761 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000236867516 535539474 /nfs/dbraw/zinc/53/94/74/535539474.db2.gz DBKJUDINRQMLRW-KRWDZBQOSA-N 1 3 346.475 1.839 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678023 /nfs/dbraw/zinc/67/80/23/535678023.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 1 3 336.524 1.203 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678028 /nfs/dbraw/zinc/67/80/28/535678028.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 1 3 336.524 1.203 20 0 EDADHO CCOC(=O)COc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262174766 535691573 /nfs/dbraw/zinc/69/15/73/535691573.db2.gz VUXUOAMSWMERLA-KRWDZBQOSA-N 1 3 347.459 1.108 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768071 579490355 /nfs/dbraw/zinc/49/03/55/579490355.db2.gz SXHLSWULLVFDDA-MOPGFXCFSA-N 1 3 345.487 1.500 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768071 579490356 /nfs/dbraw/zinc/49/03/56/579490356.db2.gz SXHLSWULLVFDDA-MOPGFXCFSA-N 1 3 345.487 1.500 20 0 EDADHO CC[NH+]1CCN(c2ccc(NC(=O)CN[C@@H](C)COC)cc2)CC1 ZINC000727105722 578518419 /nfs/dbraw/zinc/51/84/19/578518419.db2.gz YDPAAIHBTAAJDA-HNNXBMFYSA-N 1 3 334.464 1.392 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734275681 578804346 /nfs/dbraw/zinc/80/43/46/578804346.db2.gz AZJCVMGQTTWGEF-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734275681 578804347 /nfs/dbraw/zinc/80/43/47/578804347.db2.gz AZJCVMGQTTWGEF-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824510 579564447 /nfs/dbraw/zinc/56/44/47/579564447.db2.gz JNEOCOFLXZZTGE-OIISXLGYSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824510 579564448 /nfs/dbraw/zinc/56/44/48/579564448.db2.gz JNEOCOFLXZZTGE-OIISXLGYSA-N 1 3 338.496 1.412 20 0 EDADHO C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000768938815 580224575 /nfs/dbraw/zinc/22/45/75/580224575.db2.gz UEPCZCHKSZGLAQ-JKSUJKDBSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816437 580321194 /nfs/dbraw/zinc/32/11/94/580321194.db2.gz GOWQIBCEVVPPFI-YOEHRIQHSA-N 1 3 336.549 1.904 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816437 580321195 /nfs/dbraw/zinc/32/11/95/580321195.db2.gz GOWQIBCEVVPPFI-YOEHRIQHSA-N 1 3 336.549 1.904 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(F)(F)Cc1ccccc1 ZINC000793434678 580844054 /nfs/dbraw/zinc/84/40/54/580844054.db2.gz FDZSQPBHQLBCCA-UHFFFAOYSA-N 1 3 327.419 1.816 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857937 590659136 /nfs/dbraw/zinc/65/91/36/590659136.db2.gz HVSPRHMYCAZDIA-XBFCOCLRSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000891875232 590665226 /nfs/dbraw/zinc/66/52/26/590665226.db2.gz UEGBFFPFQADQJT-ZHALLVOQSA-N 1 3 330.476 1.935 20 0 EDADHO C[C@]12CN(Cc3ccccc3)C[C@H]1CN(C(=O)NC[C@@H]1CCC[NH2+]1)C2 ZINC000892000134 590736843 /nfs/dbraw/zinc/73/68/43/590736843.db2.gz QKASKKLKJGKLSD-CMKODMSKSA-N 1 3 342.487 1.902 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)C2)cc1 ZINC000892077695 590788555 /nfs/dbraw/zinc/78/85/55/590788555.db2.gz KAWZWPQYVPIUAK-RYQLBKOJSA-N 1 3 330.476 1.867 20 0 EDADHO CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000892213012 590867469 /nfs/dbraw/zinc/86/74/69/590867469.db2.gz UDGGXLCFJWLPOK-QZTJIDSGSA-N 1 3 332.492 1.895 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000890476985 590952112 /nfs/dbraw/zinc/95/21/12/590952112.db2.gz ZDYJGXXNGFTUTG-OAHLLOKOSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C(C)(C)C[NH+](C)C ZINC000893549693 590953713 /nfs/dbraw/zinc/95/37/13/590953713.db2.gz ZIAISUVKKMUTDC-JYJNAYRXSA-N 1 3 340.512 1.203 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1ccncc1 ZINC000892430078 591024921 /nfs/dbraw/zinc/02/49/21/591024921.db2.gz AGZOTSPUBYHXJN-JYJNAYRXSA-N 1 3 331.464 1.819 20 0 EDADHO CN1CCN(CC2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)CC1 ZINC000892468647 591038929 /nfs/dbraw/zinc/03/89/29/591038929.db2.gz PKHYSSJQUWHIIT-UHFFFAOYSA-N 1 3 349.523 1.022 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000892499193 591050349 /nfs/dbraw/zinc/05/03/49/591050349.db2.gz TXWHEGJZDRHVAJ-OAHLLOKOSA-N 1 3 331.464 1.691 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892579157 591080013 /nfs/dbraw/zinc/08/00/13/591080013.db2.gz VABWSTQZRZAEMU-NNUKFRKNSA-N 1 3 340.418 1.775 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCC[C@@H]2C)CC1 ZINC000892687546 591131244 /nfs/dbraw/zinc/13/12/44/591131244.db2.gz VMXULDHLNFKSTC-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NCCN2CCC[C@H]2C)CC1 ZINC000892687547 591131272 /nfs/dbraw/zinc/13/12/72/591131272.db2.gz VMXULDHLNFKSTC-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000891578719 591133892 /nfs/dbraw/zinc/13/38/92/591133892.db2.gz ZVGYHPUJAUBJSU-QZTJIDSGSA-N 1 3 328.460 1.484 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578719 591133895 /nfs/dbraw/zinc/13/38/95/591133895.db2.gz ZVGYHPUJAUBJSU-QZTJIDSGSA-N 1 3 328.460 1.484 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000891648762 591167236 /nfs/dbraw/zinc/16/72/36/591167236.db2.gz ZGRSFERPHXARRP-QGZVFWFLSA-N 1 3 346.475 1.276 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892773510 591172459 /nfs/dbraw/zinc/17/24/59/591172459.db2.gz GCDYXESZFBUMMO-OWCLPIDISA-N 1 3 338.496 1.127 20 0 EDADHO C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2CN1)C(C)(C)C[NH+](C)C ZINC000891665400 591174630 /nfs/dbraw/zinc/17/46/30/591174630.db2.gz PIGVLXHHHZNEAC-PBHICJAKSA-N 1 3 332.492 1.976 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892800952 591185522 /nfs/dbraw/zinc/18/55/22/591185522.db2.gz RGPOYJIMDCZABT-QGZVFWFLSA-N 1 3 330.476 1.827 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](N2CC=CC2)C1 ZINC000892805619 591187512 /nfs/dbraw/zinc/18/75/12/591187512.db2.gz UVPSRLLQHGZIMN-ZWKOTPCHSA-N 1 3 326.444 1.357 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000894105435 591195584 /nfs/dbraw/zinc/19/55/84/591195584.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2CN(C)C[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105435 591195586 /nfs/dbraw/zinc/19/55/86/591195586.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 1 3 334.508 1.985 20 0 EDADHO Nc1ccnc(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000891747704 591208874 /nfs/dbraw/zinc/20/88/74/591208874.db2.gz ONTMKPVPZYXYIQ-UHFFFAOYSA-N 1 3 340.431 1.775 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891748505 591209660 /nfs/dbraw/zinc/20/96/60/591209660.db2.gz RSAVPYUOQCINFT-MSOLQXFVSA-N 1 3 343.475 1.834 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@H]1C ZINC000895666374 591246587 /nfs/dbraw/zinc/24/65/87/591246587.db2.gz MFNJXKNERVKBPQ-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCSC[C@H]1C ZINC000895666374 591246588 /nfs/dbraw/zinc/24/65/88/591246588.db2.gz MFNJXKNERVKBPQ-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO CN(C[C@H]1CCCN1C)c1nccc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894251095 591247210 /nfs/dbraw/zinc/24/72/10/591247210.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@H]1CCCN1C)c1nccc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894251095 591247212 /nfs/dbraw/zinc/24/72/12/591247212.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 1 3 332.496 1.537 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357334 /nfs/dbraw/zinc/35/73/34/591357334.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 1 3 342.487 1.915 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357339 /nfs/dbraw/zinc/35/73/39/591357339.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 1 3 342.487 1.915 20 0 EDADHO O=C(C1CN(C2CCOCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000896258728 591400074 /nfs/dbraw/zinc/40/00/74/591400074.db2.gz FILRVRGRKDDONV-SFHVURJKSA-N 1 3 335.492 1.574 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894989764 591509032 /nfs/dbraw/zinc/50/90/32/591509032.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000894989764 591509034 /nfs/dbraw/zinc/50/90/34/591509034.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 1 3 340.512 1.347 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725537 591636633 /nfs/dbraw/zinc/63/66/33/591636633.db2.gz VREWWGHJOMKCRC-QYZOEREBSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725537 591636634 /nfs/dbraw/zinc/63/66/34/591636634.db2.gz VREWWGHJOMKCRC-QYZOEREBSA-N 1 3 345.487 1.642 20 0 EDADHO CN(C)CCOc1ccccc1-c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899323975 591775581 /nfs/dbraw/zinc/77/55/81/591775581.db2.gz KXPWNCPQPYISJA-UHFFFAOYSA-N 1 3 327.432 1.494 20 0 EDADHO C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1[C@H](C)CC[C@H]1C ZINC000898120938 591788486 /nfs/dbraw/zinc/78/84/86/591788486.db2.gz DLKZTRFMBNXKNX-OAGGEKHMSA-N 1 3 337.508 1.601 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179573 591930262 /nfs/dbraw/zinc/93/02/62/591930262.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179573 591930264 /nfs/dbraw/zinc/93/02/64/591930264.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000900197558 591937748 /nfs/dbraw/zinc/93/77/48/591937748.db2.gz JBXRRWKOXQEWEF-KRWDZBQOSA-N 1 3 335.496 1.685 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952287 /nfs/dbraw/zinc/95/22/87/591952287.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952289 /nfs/dbraw/zinc/95/22/89/591952289.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(c2cc(CN[C@H]3CC[NH2+]CC(C)(C)C3)ccn2)CC1 ZINC000902344980 591977357 /nfs/dbraw/zinc/97/73/57/591977357.db2.gz HPWKGCORFVEXPN-KRWDZBQOSA-N 1 3 331.508 1.701 20 0 EDADHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331952 591980193 /nfs/dbraw/zinc/98/01/93/591980193.db2.gz XCWWAWPDLWIHOL-MSOLQXFVSA-N 1 3 345.535 1.960 20 0 EDADHO [NH3+]CCCC[C@@H](NCCN1CC[C@@H](O)C1)c1ccc(F)cc1F ZINC000902399583 591990463 /nfs/dbraw/zinc/99/04/63/591990463.db2.gz UTGWIGAIKDHVEY-RHSMWYFYSA-N 1 3 327.419 1.791 20 0 EDADHO O=c1cc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503405 592003811 /nfs/dbraw/zinc/00/38/11/592003811.db2.gz XJGIANFZDNFRTD-YHUYYLMFSA-N 1 3 331.464 1.661 20 0 EDADHO Cn1nc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000902806416 592063427 /nfs/dbraw/zinc/06/34/27/592063427.db2.gz SWYSPVDKVBJQCP-WDEREUQCSA-N 1 3 347.341 1.301 20 0 EDADHO Cn1nc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000902806416 592063429 /nfs/dbraw/zinc/06/34/29/592063429.db2.gz SWYSPVDKVBJQCP-WDEREUQCSA-N 1 3 347.341 1.301 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(N3CCC3)CC2)cc1 ZINC000903204330 592134982 /nfs/dbraw/zinc/13/49/82/592134982.db2.gz OEORNIBOELMSSK-UHFFFAOYSA-N 1 3 337.489 1.607 20 0 EDADHO COC(=O)[C@@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507439 592198710 /nfs/dbraw/zinc/19/87/10/592198710.db2.gz ZQIMIPIDTWRDDN-IXDOHACOSA-N 1 3 349.500 1.863 20 0 EDADHO COC(=O)[C@@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507439 592198713 /nfs/dbraw/zinc/19/87/13/592198713.db2.gz ZQIMIPIDTWRDDN-IXDOHACOSA-N 1 3 349.500 1.863 20 0 EDADHO [NH3+]CCN1CCC(N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000904366294 592242257 /nfs/dbraw/zinc/24/22/57/592242257.db2.gz HRRHIOBEQLEUOQ-MRXNPFEDSA-N 1 3 334.439 1.334 20 0 EDADHO CCc1nn(C)c(Cl)c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904391106 592243051 /nfs/dbraw/zinc/24/30/51/592243051.db2.gz DEJHSIKQKLFJGY-LBPRGKRZSA-N 1 3 326.872 1.966 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@H](C)C1 ZINC000906665425 592246849 /nfs/dbraw/zinc/24/68/49/592246849.db2.gz VOKVEXVQSALHDS-CJNGLKHVSA-N 1 3 332.448 1.273 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)[C@H](C)C1 ZINC000906665425 592246851 /nfs/dbraw/zinc/24/68/51/592246851.db2.gz VOKVEXVQSALHDS-CJNGLKHVSA-N 1 3 332.448 1.273 20 0 EDADHO Cc1csc(C[C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432624 592254730 /nfs/dbraw/zinc/25/47/30/592254730.db2.gz DFXOXZPDQOTBQH-LSDHHAIUSA-N 1 3 336.505 1.513 20 0 EDADHO Cc1csc(C[C@@H]2CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432624 592254735 /nfs/dbraw/zinc/25/47/35/592254735.db2.gz DFXOXZPDQOTBQH-LSDHHAIUSA-N 1 3 336.505 1.513 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](Cc3nccs3)C2)cnn1C ZINC000904469904 592267542 /nfs/dbraw/zinc/26/75/42/592267542.db2.gz QYPOPDYZPVXWLI-LSDHHAIUSA-N 1 3 333.505 1.867 20 0 EDADHO COc1ccc(C[N@H+](CCCO)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904470932 592268053 /nfs/dbraw/zinc/26/80/53/592268053.db2.gz DBMLJTOYKLSYRP-KRWDZBQOSA-N 1 3 349.475 1.077 20 0 EDADHO COc1ccc(C[N@@H+](CCCO)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000904470932 592268057 /nfs/dbraw/zinc/26/80/57/592268057.db2.gz DBMLJTOYKLSYRP-KRWDZBQOSA-N 1 3 349.475 1.077 20 0 EDADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000904506037 592273808 /nfs/dbraw/zinc/27/38/08/592273808.db2.gz IGLDYARPFAKSTA-MSOLQXFVSA-N 1 3 344.459 1.395 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)ccc1CN(C)C ZINC000906702544 592275220 /nfs/dbraw/zinc/27/52/20/592275220.db2.gz YYGYBNZKGMWGKK-HNNXBMFYSA-N 1 3 332.448 1.109 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c1 ZINC000904519005 592276524 /nfs/dbraw/zinc/27/65/24/592276524.db2.gz IWJUSRUPNWEAQV-IAGOWNOFSA-N 1 3 332.448 1.517 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC000904519006 592276601 /nfs/dbraw/zinc/27/66/01/592276601.db2.gz IWJUSRUPNWEAQV-IRXDYDNUSA-N 1 3 332.448 1.517 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904530828 592280525 /nfs/dbraw/zinc/28/05/25/592280525.db2.gz PIESUUVIICUCAQ-CXAGYDPISA-N 1 3 332.452 1.495 20 0 EDADHO C(OC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731760 592288198 /nfs/dbraw/zinc/28/81/98/592288198.db2.gz CLCROIQIBIDKRB-QRVBRYPASA-N 1 3 338.492 1.805 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901336110 592333276 /nfs/dbraw/zinc/33/32/76/592333276.db2.gz IBLAAJLEJAMYFC-QFBILLFUSA-N 1 3 333.476 1.470 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901336110 592333281 /nfs/dbraw/zinc/33/32/81/592333281.db2.gz IBLAAJLEJAMYFC-QFBILLFUSA-N 1 3 333.476 1.470 20 0 EDADHO CCCC(=O)NC[C@H]1CCCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888580 592351568 /nfs/dbraw/zinc/35/15/68/592351568.db2.gz GLYRZQOIXRYYLC-SJORKVTESA-N 1 3 349.523 1.474 20 0 EDADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Nc1ccccc1 ZINC000903878325 592359312 /nfs/dbraw/zinc/35/93/12/592359312.db2.gz GMGKESCPYJUDFY-JLYLLQBASA-N 1 3 342.487 1.773 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(C)[C@@H](CCO)c2ccccc2)cnn1C ZINC000903895648 592368108 /nfs/dbraw/zinc/36/81/08/592368108.db2.gz PNNKWNHVOAGCPU-APWZRJJASA-N 1 3 330.476 1.901 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cnn1C ZINC000903898742 592368961 /nfs/dbraw/zinc/36/89/61/592368961.db2.gz OKKGYCGJVPAKGF-KYJSFNMBSA-N 1 3 330.480 1.626 20 0 EDADHO Cc1nc([C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898368 592369249 /nfs/dbraw/zinc/36/92/49/592369249.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1n[nH]c([C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898368 592369254 /nfs/dbraw/zinc/36/92/54/592369254.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1nnc([C@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898368 592369259 /nfs/dbraw/zinc/36/92/59/592369259.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 1 3 331.468 1.152 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCN(C)CC23CCCCC3)cnn1C ZINC000903899838 592370949 /nfs/dbraw/zinc/37/09/49/592370949.db2.gz WKVKIUCZQLLBQB-KRWDZBQOSA-N 1 3 333.524 1.796 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNC[C@@H]1NCCc2ccccc21 ZINC000903918605 592376230 /nfs/dbraw/zinc/37/62/30/592376230.db2.gz COMYHSYKQSMECF-QAPCUYQASA-N 1 3 326.448 1.179 20 0 EDADHO COc1cc(CN2CC[C@H](NC[C@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922720 592378792 /nfs/dbraw/zinc/37/87/92/592378792.db2.gz COQSOOPHOKYNTF-KGLIPLIRSA-N 1 3 343.418 1.850 20 0 EDADHO O=C1[C@@H](NCc2cccc3c2CC[NH2+]C3)CCCN1CC(F)(F)F ZINC000903926424 592380192 /nfs/dbraw/zinc/38/01/92/592380192.db2.gz RZBVCPYPUSGNDN-HNNXBMFYSA-N 1 3 341.377 1.975 20 0 EDADHO O[C@@H](C[NH2+]C1CCN(CC2CCCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905069121 592401781 /nfs/dbraw/zinc/40/17/81/592401781.db2.gz CDDQEROFJDYDGX-RTBURBONSA-N 1 3 340.508 1.523 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968349 592403047 /nfs/dbraw/zinc/40/30/47/592403047.db2.gz UDZPPTPAQVJTSL-IPYPFGDCSA-N 1 3 333.432 1.635 20 0 EDADHO COc1cc(-c2noc([C@@H]3C[C@@H]3C[NH3+])n2)ccc1OCCN(C)C ZINC000904102949 592426110 /nfs/dbraw/zinc/42/61/10/592426110.db2.gz ISVUBTLHKVHKDG-CHWSQXEVSA-N 1 3 332.404 1.748 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000908319969 592432158 /nfs/dbraw/zinc/43/21/58/592432158.db2.gz ZIRQYBTXCGUGQT-MJGOQNOKSA-N 1 3 347.459 1.039 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1 ZINC000908319969 592432161 /nfs/dbraw/zinc/43/21/61/592432161.db2.gz ZIRQYBTXCGUGQT-MJGOQNOKSA-N 1 3 347.459 1.039 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229303 592458329 /nfs/dbraw/zinc/45/83/29/592458329.db2.gz AMFGSLYVRYADGC-DLBZAZTESA-N 1 3 328.497 1.523 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229303 592458330 /nfs/dbraw/zinc/45/83/30/592458330.db2.gz AMFGSLYVRYADGC-DLBZAZTESA-N 1 3 328.497 1.523 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000904295422 592470676 /nfs/dbraw/zinc/47/06/76/592470676.db2.gz POIYSFLXJJTION-KDOFPFPSSA-N 1 3 332.448 1.972 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333935 592508937 /nfs/dbraw/zinc/50/89/37/592508937.db2.gz MPJQBAGVWZSPLT-INMHGKMJSA-N 1 3 343.537 1.653 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410224 592524075 /nfs/dbraw/zinc/52/40/75/592524075.db2.gz UJUROCPEHKBSDJ-IAGOWNOFSA-N 1 3 326.481 1.276 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410224 592524078 /nfs/dbraw/zinc/52/40/78/592524078.db2.gz UJUROCPEHKBSDJ-IAGOWNOFSA-N 1 3 326.481 1.276 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@H]1C(C)C ZINC000905502557 592546356 /nfs/dbraw/zinc/54/63/56/592546356.db2.gz KQMJBDIDJZEYMI-ZKXLYKBJSA-N 1 3 340.508 1.112 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000908592042 592556687 /nfs/dbraw/zinc/55/66/87/592556687.db2.gz FURQMMXHZGEKLX-OAGGEKHMSA-N 1 3 325.497 1.599 20 0 EDADHO CC(C)Oc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ncn1 ZINC000905701320 592614712 /nfs/dbraw/zinc/61/47/12/592614712.db2.gz MHMYJAQBUPAWON-IYBDPMFKSA-N 1 3 331.464 1.669 20 0 EDADHO CC(C)Oc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ncn1 ZINC000905701320 592614714 /nfs/dbraw/zinc/61/47/14/592614714.db2.gz MHMYJAQBUPAWON-IYBDPMFKSA-N 1 3 331.464 1.669 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)N2CCCCC2)CCCO1 ZINC000907757576 592780073 /nfs/dbraw/zinc/78/00/73/592780073.db2.gz WUBOLFVKDPNMFE-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)C(C)(C)N2CCCCC2)CCCO1 ZINC000907757576 592780075 /nfs/dbraw/zinc/78/00/75/592780075.db2.gz WUBOLFVKDPNMFE-INIZCTEOSA-N 1 3 325.497 1.868 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000907908026 592840802 /nfs/dbraw/zinc/84/08/02/592840802.db2.gz XSZYSPQHHDAIAJ-UHFFFAOYSA-N 1 3 336.524 1.536 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911139119 592934822 /nfs/dbraw/zinc/93/48/22/592934822.db2.gz WYTLPJCIKOABLN-UHFFFAOYSA-N 1 3 340.512 1.058 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000911633406 592970988 /nfs/dbraw/zinc/97/09/88/592970988.db2.gz SKUOHWKKXZOEGM-WNRNVDISSA-N 1 3 331.460 1.705 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720769 592988217 /nfs/dbraw/zinc/98/82/17/592988217.db2.gz HXIKMCPFXKBLES-KRWDZBQOSA-N 1 3 333.476 1.899 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@@H]2OCC[C@H]2N1 ZINC000912014335 593051873 /nfs/dbraw/zinc/05/18/73/593051873.db2.gz HYVUZAJUYJMIDT-IKGGRYGDSA-N 1 3 335.492 1.811 20 0 EDADHO C[C@]1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380471 593089309 /nfs/dbraw/zinc/08/93/09/593089309.db2.gz UAGRKYCXZHKTPS-PXNSSMCTSA-N 1 3 342.487 1.894 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809615303 593349842 /nfs/dbraw/zinc/34/98/42/593349842.db2.gz ADXJCYLGVBSAFT-ZIAGYGMSSA-N 1 3 326.510 1.560 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496311 /nfs/dbraw/zinc/49/63/11/593496311.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 1 3 342.487 1.704 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496312 /nfs/dbraw/zinc/49/63/12/593496312.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 1 3 342.487 1.704 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOC/C=C/Cl ZINC000812705832 593507619 /nfs/dbraw/zinc/50/76/19/593507619.db2.gz GLAFNXJQHKKPMV-OWNNVSBGSA-N 1 3 332.876 1.728 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NOC/C=C/Cl ZINC000812705832 593507620 /nfs/dbraw/zinc/50/76/20/593507620.db2.gz GLAFNXJQHKKPMV-OWNNVSBGSA-N 1 3 332.876 1.728 20 0 EDADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000813330450 593527410 /nfs/dbraw/zinc/52/74/10/593527410.db2.gz XZXANUYVIVYWSZ-QAPCUYQASA-N 1 3 345.487 1.790 20 0 EDADHO COC(=O)N1CCC[C@@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819004372 593733602 /nfs/dbraw/zinc/73/36/02/593733602.db2.gz YVUKTOGNOBAOFT-IAGOWNOFSA-N 1 3 335.448 1.300 20 0 EDADHO COC(=O)N1CCC[C@@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819004372 593733603 /nfs/dbraw/zinc/73/36/03/593733603.db2.gz YVUKTOGNOBAOFT-IAGOWNOFSA-N 1 3 335.448 1.300 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@H](O)c2ccc(F)cn2)cc1 ZINC000819011311 593733832 /nfs/dbraw/zinc/73/38/32/593733832.db2.gz OQWKKMWIOBOCRH-SFHVURJKSA-N 1 3 333.407 1.984 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000820100563 593791315 /nfs/dbraw/zinc/79/13/15/593791315.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 1 3 341.455 1.096 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CN2CCC[C@@H]2CO1 ZINC000820100563 593791316 /nfs/dbraw/zinc/79/13/16/593791316.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 1 3 341.455 1.096 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951264 594127422 /nfs/dbraw/zinc/12/74/22/594127422.db2.gz ONRMJOKYTLMUOM-UKRRQHHQSA-N 1 3 342.447 1.739 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)C(C)C ZINC000830357480 594381932 /nfs/dbraw/zinc/38/19/32/594381932.db2.gz AXXXWWKVVDHNOV-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1)C(C)C ZINC000830357480 594381934 /nfs/dbraw/zinc/38/19/34/594381934.db2.gz AXXXWWKVVDHNOV-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@@H]1N1CCN(C)CC1 ZINC000831267934 594595740 /nfs/dbraw/zinc/59/57/40/594595740.db2.gz SANYYYZRAGNHAQ-SJORKVTESA-N 1 3 339.528 1.173 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000841050315 594844641 /nfs/dbraw/zinc/84/46/41/594844641.db2.gz FEHQGVOOWFERRW-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000841096535 594850331 /nfs/dbraw/zinc/85/03/31/594850331.db2.gz ZSJATGCKQVXSTA-BEFAXECRSA-N 1 3 341.455 1.660 20 0 EDADHO CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@@H]1N(C)C ZINC000841281432 594880914 /nfs/dbraw/zinc/88/09/14/594880914.db2.gz GCBXTKHCAITXQU-GJZGRUSLSA-N 1 3 338.477 1.533 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843332015 595077044 /nfs/dbraw/zinc/07/70/44/595077044.db2.gz GHFJWNISDNXSQN-LBPRGKRZSA-N 1 3 341.358 1.516 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000837766380 595190656 /nfs/dbraw/zinc/19/06/56/595190656.db2.gz DLRZTKBBWQPNJS-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843050876 595275303 /nfs/dbraw/zinc/27/53/03/595275303.db2.gz TUVAYQCAXFSGMR-UHFFFAOYSA-N 1 3 334.464 1.630 20 0 EDADHO CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CCN(CCc2ccccn2)CC1 ZINC000844177895 595293427 /nfs/dbraw/zinc/29/34/27/595293427.db2.gz RMPFHYBIDRIVPV-GOSISDBHSA-N 1 3 330.476 1.674 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844191984 595298311 /nfs/dbraw/zinc/29/83/11/595298311.db2.gz XIJVLRSVJBPKLW-SFHVURJKSA-N 1 3 346.475 1.536 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844191983 595298694 /nfs/dbraw/zinc/29/86/94/595298694.db2.gz XIJVLRSVJBPKLW-GOSISDBHSA-N 1 3 346.475 1.536 20 0 EDADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000844226884 595309847 /nfs/dbraw/zinc/30/98/47/595309847.db2.gz RYEKSPHFDLDNRU-ZWKOTPCHSA-N 1 3 341.459 1.986 20 0 EDADHO O=C1O[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721170 595435892 /nfs/dbraw/zinc/43/58/92/595435892.db2.gz IMYSUHWWFNCOGA-IDHHARJASA-N 1 3 343.427 1.815 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@@](C)=O)cc1 ZINC000849051104 595475750 /nfs/dbraw/zinc/47/57/50/595475750.db2.gz WRVWYTZBEAGIJP-WAIKUNEKSA-N 1 3 336.505 1.663 20 0 EDADHO CN1CCC[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000845444767 595498560 /nfs/dbraw/zinc/49/85/60/595498560.db2.gz FOTCNKXXDKGTTO-ZIAGYGMSSA-N 1 3 342.484 1.042 20 0 EDADHO C[NH2+]CCN(C)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000852826249 595561984 /nfs/dbraw/zinc/56/19/84/595561984.db2.gz FQNQLYFTOFCADB-IBGZPJMESA-N 1 3 341.455 1.813 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586376 /nfs/dbraw/zinc/58/63/76/595586376.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586380 /nfs/dbraw/zinc/58/63/80/595586380.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2(N(C)C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599663 595588886 /nfs/dbraw/zinc/58/88/86/595588886.db2.gz BCGOVSDDTGQWRA-IAGOWNOFSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](C(=O)NCC2(N(C)C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599663 595588887 /nfs/dbraw/zinc/58/88/87/595588887.db2.gz BCGOVSDDTGQWRA-IAGOWNOFSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595591001 /nfs/dbraw/zinc/59/10/01/595591001.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595591005 /nfs/dbraw/zinc/59/10/05/595591005.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 1 3 347.507 1.397 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851665654 595875397 /nfs/dbraw/zinc/87/53/97/595875397.db2.gz BYXIVOWRRUIHLO-RBSFLKMASA-N 1 3 338.402 1.429 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851677027 595880919 /nfs/dbraw/zinc/88/09/19/595880919.db2.gz RZFRGOGQCVGOPS-SJLPKXTDSA-N 1 3 336.480 1.025 20 0 EDADHO CCc1cccc(OCCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706324 596302186 /nfs/dbraw/zinc/30/21/86/596302186.db2.gz BBMPZPRWSHWHGE-JQHSSLGASA-N 1 3 345.443 1.495 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907496 596398841 /nfs/dbraw/zinc/39/88/41/596398841.db2.gz WSNAKSDRRNSTNM-FZMZJTMJSA-N 1 3 334.489 1.823 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)CC1 ZINC000868156133 596704929 /nfs/dbraw/zinc/70/49/29/596704929.db2.gz WDUYMRRXOBBLGY-QDMKHBRRSA-N 1 3 346.479 1.802 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000868215706 596728308 /nfs/dbraw/zinc/72/83/08/596728308.db2.gz FNVRHZFMZZLXEU-GARNVTTQSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236658 596740561 /nfs/dbraw/zinc/74/05/61/596740561.db2.gz MQSVGWUTYPLMCW-SJWGOKEGSA-N 1 3 344.459 1.238 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868381874 596813720 /nfs/dbraw/zinc/81/37/20/596813720.db2.gz XIHDPIXYPBWVFN-GOSISDBHSA-N 1 3 340.512 1.009 20 0 EDADHO CCOC(=O)N1CCN(C(=O)[C@@H](C)N(C)CCCCCC[NH3+])CC1 ZINC000872158595 596816657 /nfs/dbraw/zinc/81/66/57/596816657.db2.gz VZIXTBOLGHRGTM-OAHLLOKOSA-N 1 3 342.484 1.127 20 0 EDADHO COCCC1([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CCNCC1 ZINC000873225382 597232680 /nfs/dbraw/zinc/23/26/80/597232680.db2.gz XEEHXTUZAOPFIY-UHFFFAOYSA-N 1 3 329.448 1.824 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240487 /nfs/dbraw/zinc/24/04/87/597240487.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240493 /nfs/dbraw/zinc/24/04/93/597240493.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 1 3 342.487 1.997 20 0 EDADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291947 597249445 /nfs/dbraw/zinc/24/94/45/597249445.db2.gz OJBDWYMVAMFUAH-RRFJBIMHSA-N 1 3 330.494 1.091 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876722601 597306118 /nfs/dbraw/zinc/30/61/18/597306118.db2.gz ZMZMZVQWGBWHCW-MDZRGWNJSA-N 1 3 346.519 1.670 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(CN)cnn3C)C2)CC1 ZINC000876742228 597316443 /nfs/dbraw/zinc/31/64/43/597316443.db2.gz WAENDCBSPPHPBE-HNNXBMFYSA-N 1 3 333.480 1.463 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000876755211 597324000 /nfs/dbraw/zinc/32/40/00/597324000.db2.gz SYVFRGDJVGBQSC-HOTGVXAUSA-N 1 3 331.464 1.425 20 0 EDADHO Cn1ncc(CN)c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000876890312 597371277 /nfs/dbraw/zinc/37/12/77/597371277.db2.gz WSTYINGEWOZUIH-UHFFFAOYSA-N 1 3 333.480 1.607 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281577 597485887 /nfs/dbraw/zinc/48/58/87/597485887.db2.gz IQGAJNUPUDNKCH-RBUKOAKNSA-N 1 3 342.487 1.552 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H](N)c1ccccc1 ZINC000877371437 597503822 /nfs/dbraw/zinc/50/38/22/597503822.db2.gz QNMDFXUCZSDGIG-DOERSZECSA-N 1 3 329.366 1.918 20 0 EDADHO C[NH+]1CCC(NC(=O)CN2CCN(CC3CCCCC3)CC2)CC1 ZINC000878001039 597568933 /nfs/dbraw/zinc/56/89/33/597568933.db2.gz KXPMMENYHWEYLO-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCN(C)CCOCCO)CC1 ZINC000883349945 597721820 /nfs/dbraw/zinc/72/18/20/597721820.db2.gz RITGNADVWWCPTK-MJGOQNOKSA-N 1 3 341.540 1.560 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCN(C)CCOCCO)CC1 ZINC000883349943 597721892 /nfs/dbraw/zinc/72/18/92/597721892.db2.gz RITGNADVWWCPTK-HKUYNNGSSA-N 1 3 341.540 1.560 20 0 EDADHO O=C(NC[C@H]1CCCN(CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424062 597741839 /nfs/dbraw/zinc/74/18/39/597741839.db2.gz DRQKQPJJBFGLFQ-OLZOCXBDSA-N 1 3 337.386 1.493 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914205651 695276601 /nfs/dbraw/zinc/27/66/01/695276601.db2.gz WFDVYJPXWCGOTQ-CVEARBPZSA-N 1 3 329.510 1.076 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914205651 695276603 /nfs/dbraw/zinc/27/66/03/695276603.db2.gz WFDVYJPXWCGOTQ-CVEARBPZSA-N 1 3 329.510 1.076 20 0 EDADHO CN1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)c2c[nH+]ccc21 ZINC000914235512 695294659 /nfs/dbraw/zinc/29/46/59/695294659.db2.gz XJJRBTHHNPPTTD-INIZCTEOSA-N 1 3 336.461 1.154 20 0 EDADHO CC[C@H](CNC(=S)NCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000914704094 695627540 /nfs/dbraw/zinc/62/75/40/695627540.db2.gz OBWXQOQSTBKDPU-QGZVFWFLSA-N 1 3 334.533 1.849 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCO ZINC000948065940 697057071 /nfs/dbraw/zinc/05/70/71/697057071.db2.gz LDSIRPUBSWRXLK-RDJZCZTQSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCO ZINC000948065940 697057075 /nfs/dbraw/zinc/05/70/75/697057075.db2.gz LDSIRPUBSWRXLK-RDJZCZTQSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925477357 697394091 /nfs/dbraw/zinc/39/40/91/697394091.db2.gz JGFVLPZCPYQURU-PWSUYJOCSA-N 1 3 343.415 1.278 20 0 EDADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)C12CCC[NH+](CCC1)C2 ZINC001031765350 699051214 /nfs/dbraw/zinc/05/12/14/699051214.db2.gz WJIKVTGFJOIOBG-UHFFFAOYSA-N 1 3 341.446 1.956 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NCc3ccnn3C)C2)CC1 ZINC000939453620 699599969 /nfs/dbraw/zinc/59/99/69/699599969.db2.gz KSKYVPOCUVYSOW-QAPCUYQASA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccccc1F ZINC000939545347 699687375 /nfs/dbraw/zinc/68/73/75/699687375.db2.gz NRBFLXGVPHIENG-WMLDXEAASA-N 1 3 331.435 1.858 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCCN3C)CC2)ncn1 ZINC000940179478 700313406 /nfs/dbraw/zinc/31/34/06/700313406.db2.gz VOPVKCJINDAFIX-KRWDZBQOSA-N 1 3 345.491 1.740 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329478 700508830 /nfs/dbraw/zinc/50/88/30/700508830.db2.gz UESMSKCISGSYOJ-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)sn1 ZINC000940353224 700536814 /nfs/dbraw/zinc/53/68/14/700536814.db2.gz JLAZOCIUBMSBLK-UHFFFAOYSA-N 1 3 333.461 1.888 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426350 700620137 /nfs/dbraw/zinc/62/01/37/700620137.db2.gz RBXBWKNLZWTXEY-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426350 700620138 /nfs/dbraw/zinc/62/01/38/700620138.db2.gz RBXBWKNLZWTXEY-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO COc1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940461703 700664807 /nfs/dbraw/zinc/66/48/07/700664807.db2.gz IWVMEOKJYHEMOO-ZDUSSCGKSA-N 1 3 336.436 1.106 20 0 EDADHO COc1cc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940461703 700664809 /nfs/dbraw/zinc/66/48/09/700664809.db2.gz IWVMEOKJYHEMOO-ZDUSSCGKSA-N 1 3 336.436 1.106 20 0 EDADHO CCn1ccnc1CNC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078636 700671552 /nfs/dbraw/zinc/67/15/52/700671552.db2.gz KLXLTKVLCWZDMC-DOTOQJQBSA-N 1 3 347.507 1.619 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785070 700895715 /nfs/dbraw/zinc/89/57/15/700895715.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785070 700895716 /nfs/dbraw/zinc/89/57/16/700895716.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCC1 ZINC000940945252 701010551 /nfs/dbraw/zinc/01/05/51/701010551.db2.gz ZJWPFSQGWJWWSN-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCC1 ZINC000940945252 701010552 /nfs/dbraw/zinc/01/05/52/701010552.db2.gz ZJWPFSQGWJWWSN-OAHLLOKOSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408909 701521313 /nfs/dbraw/zinc/52/13/13/701521313.db2.gz YDNXVRKZJVXDMJ-QZTJIDSGSA-N 1 3 348.535 1.345 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408909 701521314 /nfs/dbraw/zinc/52/13/14/701521314.db2.gz YDNXVRKZJVXDMJ-QZTJIDSGSA-N 1 3 348.535 1.345 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1)C1CC1 ZINC000941437082 701540271 /nfs/dbraw/zinc/54/02/71/701540271.db2.gz RDKDCZCCCYEGOW-LJQANCHMSA-N 1 3 348.535 1.345 20 0 EDADHO Cc1cccc(C)c1CN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130121 701834743 /nfs/dbraw/zinc/83/47/43/701834743.db2.gz GMHZBNLCGDHOFP-UHFFFAOYSA-N 1 3 327.472 1.947 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886859 702223300 /nfs/dbraw/zinc/22/33/00/702223300.db2.gz ODLYIVHUGGOCAV-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995886859 702223304 /nfs/dbraw/zinc/22/33/04/702223304.db2.gz ODLYIVHUGGOCAV-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C(C)(C)C1)C1CCC1 ZINC000995917589 702235626 /nfs/dbraw/zinc/23/56/26/702235626.db2.gz LJBCLSUUNPBFLC-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921780 702244003 /nfs/dbraw/zinc/24/40/03/702244003.db2.gz CBZDLVQUCRVVCW-IRXDYDNUSA-N 1 3 349.523 1.641 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)N(C)C ZINC000996249786 702652029 /nfs/dbraw/zinc/65/20/29/702652029.db2.gz TXYAHFMQWCJZDJ-JKSUJKDBSA-N 1 3 335.496 1.296 20 0 EDADHO CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cn1 ZINC000996353511 702731384 /nfs/dbraw/zinc/73/13/84/702731384.db2.gz AKULIMFAZZMSML-INIZCTEOSA-N 1 3 344.463 1.238 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000996675054 702974127 /nfs/dbraw/zinc/97/41/27/702974127.db2.gz DYNJMSNCIBDDEL-QGZVFWFLSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996677610 702976394 /nfs/dbraw/zinc/97/63/94/702976394.db2.gz LOGNCGQUVHDSDZ-GOSISDBHSA-N 1 3 330.476 1.811 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996680951 702979518 /nfs/dbraw/zinc/97/95/18/702979518.db2.gz XDPZDNDYOCUROB-GOSISDBHSA-N 1 3 348.491 1.966 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000996691105 702988416 /nfs/dbraw/zinc/98/84/16/702988416.db2.gz SCYPXWZYAAZRNL-XJKSGUPXSA-N 1 3 348.495 1.629 20 0 EDADHO Cc1nnc([C@H](C)NC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000996691105 702988417 /nfs/dbraw/zinc/98/84/17/702988417.db2.gz SCYPXWZYAAZRNL-XJKSGUPXSA-N 1 3 348.495 1.629 20 0 EDADHO CN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723490 703018460 /nfs/dbraw/zinc/01/84/60/703018460.db2.gz NIAPONSAGQFNBF-SFHVURJKSA-N 1 3 345.491 1.394 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000996997743 703254535 /nfs/dbraw/zinc/25/45/35/703254535.db2.gz GFDCBIQMDOMCBH-JKSUJKDBSA-N 1 3 345.491 1.911 20 0 EDADHO C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)O1 ZINC000996999409 703256299 /nfs/dbraw/zinc/25/62/99/703256299.db2.gz OELYPGIIUCGDNJ-NVXWUHKLSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)ncn1 ZINC000997007298 703264737 /nfs/dbraw/zinc/26/47/37/703264737.db2.gz PQLILFIZGCDJIF-CQSZACIVSA-N 1 3 331.464 1.207 20 0 EDADHO Cc1ncccc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997008604 703266871 /nfs/dbraw/zinc/26/68/71/703266871.db2.gz VSYYKARYHVFHIL-HNNXBMFYSA-N 1 3 330.476 1.812 20 0 EDADHO COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000997073941 703314096 /nfs/dbraw/zinc/31/40/96/703314096.db2.gz ZWWFIRQJJARYMY-NVXWUHKLSA-N 1 3 325.497 1.722 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997122291 703380587 /nfs/dbraw/zinc/38/05/87/703380587.db2.gz XGZGUXDXXHOWSX-NVXWUHKLSA-N 1 3 325.497 1.460 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000997178050 703464671 /nfs/dbraw/zinc/46/46/71/703464671.db2.gz ANEYRVUWYAXIAK-QAPCUYQASA-N 1 3 347.507 1.621 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)sc1C ZINC000997189836 703472084 /nfs/dbraw/zinc/47/20/84/703472084.db2.gz UZFCSLGVKMYJSG-UHFFFAOYSA-N 1 3 348.516 1.936 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997184900 703473369 /nfs/dbraw/zinc/47/33/69/703473369.db2.gz AHSSSLTWXMJOGN-UHFFFAOYSA-N 1 3 332.448 1.468 20 0 EDADHO CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000997227950 703503839 /nfs/dbraw/zinc/50/38/39/703503839.db2.gz BSZAUUMGRQOSMM-LOPSVYGOSA-N 1 3 349.519 1.722 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCOC2)CC1 ZINC001032711210 706805009 /nfs/dbraw/zinc/80/50/09/706805009.db2.gz LZOUZFBUGPNMHZ-NEWSRXKRSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)CCC1 ZINC000997822454 704742184 /nfs/dbraw/zinc/74/21/84/704742184.db2.gz DOOXOZTUDKWVSQ-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830236 704748695 /nfs/dbraw/zinc/74/86/95/704748695.db2.gz FUGYHVDBTQMVRA-CJNGLKHVSA-N 1 3 348.495 1.045 20 0 EDADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCO)CC1 ZINC000997871929 704777708 /nfs/dbraw/zinc/77/77/08/704777708.db2.gz RRKZMXVMHPCHHD-HNNXBMFYSA-N 1 3 333.476 1.571 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521955 /nfs/dbraw/zinc/52/19/55/706521955.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521956 /nfs/dbraw/zinc/52/19/56/706521956.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568386 /nfs/dbraw/zinc/56/83/86/706568386.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 1 3 345.491 1.148 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568388 /nfs/dbraw/zinc/56/83/88/706568388.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 1 3 345.491 1.148 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374992 706869312 /nfs/dbraw/zinc/86/93/12/706869312.db2.gz SRGUWVXURFEWHA-OALUTQOASA-N 1 3 345.487 1.600 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279713 707347966 /nfs/dbraw/zinc/34/79/66/707347966.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 1 3 347.503 1.573 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279713 707347971 /nfs/dbraw/zinc/34/79/71/707347971.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 1 3 347.503 1.573 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999829513 707458413 /nfs/dbraw/zinc/45/84/13/707458413.db2.gz IMZIHZFAFWDVRU-WLYUNCDWSA-N 1 3 334.464 1.576 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999829513 707458416 /nfs/dbraw/zinc/45/84/16/707458416.db2.gz IMZIHZFAFWDVRU-WLYUNCDWSA-N 1 3 334.464 1.576 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999971548 707582014 /nfs/dbraw/zinc/58/20/14/707582014.db2.gz BPGYORNMLBPHSD-ROUUACIJSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3cnn(C)c3)C2)C1 ZINC000999971548 707582017 /nfs/dbraw/zinc/58/20/17/707582017.db2.gz BPGYORNMLBPHSD-ROUUACIJSA-N 1 3 347.507 1.623 20 0 EDADHO C[C@H](NCc1ccnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926153 707667624 /nfs/dbraw/zinc/66/76/24/707667624.db2.gz KNAPTYRNFXKMIV-MAUKXSAKSA-N 1 3 347.507 1.621 20 0 EDADHO CCn1cc(CCN2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594997 708297706 /nfs/dbraw/zinc/29/77/06/708297706.db2.gz TUNCASSCLZFAQU-QGZVFWFLSA-N 1 3 345.491 1.074 20 0 EDADHO Cc1ccccc1OCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001033659164 708470191 /nfs/dbraw/zinc/47/01/91/708470191.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 1 3 345.487 1.858 20 0 EDADHO Cc1ccccc1OCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001033659164 708470194 /nfs/dbraw/zinc/47/01/94/708470194.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 1 3 345.487 1.858 20 0 EDADHO COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685090 708498856 /nfs/dbraw/zinc/49/88/56/708498856.db2.gz SNDUXTWGXFSFGT-CRAIPNDOSA-N 1 3 333.476 1.929 20 0 EDADHO COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033685090 708498859 /nfs/dbraw/zinc/49/88/59/708498859.db2.gz SNDUXTWGXFSFGT-CRAIPNDOSA-N 1 3 333.476 1.929 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CCOC)C1 ZINC001033955536 709137098 /nfs/dbraw/zinc/13/70/98/709137098.db2.gz ZPJUTKOQRUWSGH-IBGZPJMESA-N 1 3 347.503 1.974 20 0 EDADHO C[C@@]12CN(C(=O)[C@H](N)CC(F)F)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702126422 709336903 /nfs/dbraw/zinc/33/69/03/709336903.db2.gz OXSQURKSNAXKAO-HDMKZQKVSA-N 1 3 337.414 1.949 20 0 EDADHO C[C@@]12CN(C(=O)[C@H](N)CC(F)F)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702126422 709336906 /nfs/dbraw/zinc/33/69/06/709336906.db2.gz OXSQURKSNAXKAO-HDMKZQKVSA-N 1 3 337.414 1.949 20 0 EDADHO Cc1cc(NC[C@H]2CN(C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213662 709394445 /nfs/dbraw/zinc/39/44/45/709394445.db2.gz FFUWXJARPCYWHO-INIZCTEOSA-N 1 3 326.448 1.595 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001003147619 710046036 /nfs/dbraw/zinc/04/60/36/710046036.db2.gz WWATZSPNCBHJLG-ROUUACIJSA-N 1 3 345.491 1.481 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001003147619 710046040 /nfs/dbraw/zinc/04/60/40/710046040.db2.gz WWATZSPNCBHJLG-ROUUACIJSA-N 1 3 345.491 1.481 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034648084 710325113 /nfs/dbraw/zinc/32/51/13/710325113.db2.gz XSFTUBJURPTDRS-DNNBLBMLSA-N 1 3 334.464 1.840 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC001034648084 710325116 /nfs/dbraw/zinc/32/51/16/710325116.db2.gz XSFTUBJURPTDRS-DNNBLBMLSA-N 1 3 334.464 1.840 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003629017 710459052 /nfs/dbraw/zinc/45/90/52/710459052.db2.gz WWXHYOOWAHMPSP-QFBILLFUSA-N 1 3 345.487 1.785 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034659181 710588551 /nfs/dbraw/zinc/58/85/51/710588551.db2.gz OJDCVDYUKZEVIA-JFIYKMOQSA-N 1 3 347.507 1.812 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034659181 710588555 /nfs/dbraw/zinc/58/85/55/710588555.db2.gz OJDCVDYUKZEVIA-JFIYKMOQSA-N 1 3 347.507 1.812 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034693216 710783590 /nfs/dbraw/zinc/78/35/90/710783590.db2.gz CLDDFSDDVSUGQW-SYJBPTKTSA-N 1 3 347.503 1.667 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734978 710918588 /nfs/dbraw/zinc/91/85/88/710918588.db2.gz CYFJTKJJULYCDS-SZMVWBNQSA-N 1 3 347.507 1.464 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776434 711053261 /nfs/dbraw/zinc/05/32/61/711053261.db2.gz UCUANNBTYGVQSZ-YYIAUSFCSA-N 1 3 345.491 1.896 20 0 EDADHO C[C@@H](N[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC001034776434 711053265 /nfs/dbraw/zinc/05/32/65/711053265.db2.gz UCUANNBTYGVQSZ-YYIAUSFCSA-N 1 3 345.491 1.896 20 0 EDADHO CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)ccn1 ZINC001034882343 711283567 /nfs/dbraw/zinc/28/35/67/711283567.db2.gz VCXGAVNYMIQZCY-IAGOWNOFSA-N 1 3 345.491 1.322 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1)C1CCC1 ZINC001034957830 711430634 /nfs/dbraw/zinc/43/06/34/711430634.db2.gz KZGINAZWRWIEQC-LJQANCHMSA-N 1 3 345.487 1.744 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc3c1OCO3)C2 ZINC000922388180 711431389 /nfs/dbraw/zinc/43/13/89/711431389.db2.gz OYEBFLJALWKCIB-LTDCPUDJSA-N 1 3 332.444 1.985 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cccc3c1OCO3)C2 ZINC000922388180 711431390 /nfs/dbraw/zinc/43/13/90/711431390.db2.gz OYEBFLJALWKCIB-LTDCPUDJSA-N 1 3 332.444 1.985 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391161 711455608 /nfs/dbraw/zinc/45/56/08/711455608.db2.gz UELMTFOCULBYPR-NYTXWWLZSA-N 1 3 326.872 1.643 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(Cl)n1C)C2 ZINC000922391161 711455610 /nfs/dbraw/zinc/45/56/10/711455610.db2.gz UELMTFOCULBYPR-NYTXWWLZSA-N 1 3 326.872 1.643 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)N(C)C ZINC001004474475 711851011 /nfs/dbraw/zinc/85/10/11/711851011.db2.gz OSPKZCFPWKJKQB-SJORKVTESA-N 1 3 325.497 1.412 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)N(C)C ZINC001004474475 711851012 /nfs/dbraw/zinc/85/10/12/711851012.db2.gz OSPKZCFPWKJKQB-SJORKVTESA-N 1 3 325.497 1.412 20 0 EDADHO CC1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004587170 712021508 /nfs/dbraw/zinc/02/15/08/712021508.db2.gz XNHUWVOSCRJMNS-SFHVURJKSA-N 1 3 337.508 1.414 20 0 EDADHO CC1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCO)CC2)CC1 ZINC001004587170 712021511 /nfs/dbraw/zinc/02/15/11/712021511.db2.gz XNHUWVOSCRJMNS-SFHVURJKSA-N 1 3 337.508 1.414 20 0 EDADHO CCC1(O)CCN(CCOCC[NH+]2CCC(O)(CC)CC2)CC1 ZINC000343734980 282526611 /nfs/dbraw/zinc/52/66/11/282526611.db2.gz FYLUXQUWWNBUKW-UHFFFAOYSA-N 1 3 328.497 1.477 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(C)(C)C[NH+](C)C ZINC000458522764 299158728 /nfs/dbraw/zinc/15/87/28/299158728.db2.gz PPPITKOLZQLIPL-GJZGRUSLSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000561978874 306291870 /nfs/dbraw/zinc/29/18/70/306291870.db2.gz NWWGSJNIRSXEPU-INIZCTEOSA-N 1 3 348.491 1.033 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000562808746 306309924 /nfs/dbraw/zinc/30/99/24/306309924.db2.gz QAWFBESCYBAJHN-JKSUJKDBSA-N 1 3 331.464 1.725 20 0 EDADHO O=C([C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271313 306325724 /nfs/dbraw/zinc/32/57/24/306325724.db2.gz PQOCHOXGCUOEOE-SFHVURJKSA-N 1 3 343.471 1.403 20 0 EDADHO C[C@H]1C[C@H](C)CN(C(=O)CN(C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009557 291111466 /nfs/dbraw/zinc/11/14/66/291111466.db2.gz BAONBTUPUJLSDU-IRXDYDNUSA-N 1 3 326.529 1.306 20 0 EDADHO C[C@H]1OCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000120624872 138316200 /nfs/dbraw/zinc/31/62/00/138316200.db2.gz GRINBHWXMFZYGL-HUUCEWRRSA-N 1 3 338.496 1.364 20 0 EDADHO CC[C@H](C(=O)NC[C@](C)(NC(=O)[C@H](CC)N(C)C)C(C)C)[NH+](C)C ZINC000413458297 304061179 /nfs/dbraw/zinc/06/11/79/304061179.db2.gz WBTASHNZNPXBHY-VKJFTORMSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@H](C(=O)NC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413458297 304061181 /nfs/dbraw/zinc/06/11/81/304061181.db2.gz WBTASHNZNPXBHY-VKJFTORMSA-N 1 3 342.528 1.314 20 0 EDADHO CN1c2ccc(CNCCN3CCC([NH+](C)C)CC3)cc2CCC1=O ZINC000187281043 236166707 /nfs/dbraw/zinc/16/67/07/236166707.db2.gz ISUNPXCVKIOIBL-UHFFFAOYSA-N 1 3 344.503 1.711 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564326355 306358405 /nfs/dbraw/zinc/35/84/05/306358405.db2.gz LCGZTSMAWZMEKB-RCCFBDPRSA-N 1 3 328.460 1.504 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267279398 299284059 /nfs/dbraw/zinc/28/40/59/299284059.db2.gz UYAUYGLAWVANSQ-HKUYNNGSSA-N 1 3 347.503 1.495 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000564849608 306367423 /nfs/dbraw/zinc/36/74/23/306367423.db2.gz NJUXRMANWMKZEX-MAUKXSAKSA-N 1 3 337.464 1.300 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccn(C)n3)CC2)CC1 ZINC000565494092 306385333 /nfs/dbraw/zinc/38/53/33/306385333.db2.gz YZRRQJXQFAYETP-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO COc1ccsc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414487390 304119094 /nfs/dbraw/zinc/11/90/94/304119094.db2.gz RZRMYTBKSAJHMR-UHFFFAOYSA-N 1 3 339.505 1.643 20 0 EDADHO CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000414488473 304119113 /nfs/dbraw/zinc/11/91/13/304119113.db2.gz UIJAWWAMJDMROJ-DLBZAZTESA-N 1 3 341.565 1.903 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)cc1 ZINC000414699519 304129439 /nfs/dbraw/zinc/12/94/39/304129439.db2.gz INRZOKYIPHIIKJ-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712684 304131539 /nfs/dbraw/zinc/13/15/39/304131539.db2.gz NVWMXZVHTLOCOD-IEBWSBKVSA-N 1 3 345.487 1.457 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712684 304131540 /nfs/dbraw/zinc/13/15/40/304131540.db2.gz NVWMXZVHTLOCOD-IEBWSBKVSA-N 1 3 345.487 1.457 20 0 EDADHO CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414732372 304134234 /nfs/dbraw/zinc/13/42/34/304134234.db2.gz AAMLGWDWBUKOPK-OAHLLOKOSA-N 1 3 349.475 1.723 20 0 EDADHO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414732372 304134236 /nfs/dbraw/zinc/13/42/36/304134236.db2.gz AAMLGWDWBUKOPK-OAHLLOKOSA-N 1 3 349.475 1.723 20 0 EDADHO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414750096 304137128 /nfs/dbraw/zinc/13/71/28/304137128.db2.gz ZIVOCFIGXYTDME-ROUUACIJSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414750096 304137131 /nfs/dbraw/zinc/13/71/31/304137131.db2.gz ZIVOCFIGXYTDME-ROUUACIJSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000414756958 304137529 /nfs/dbraw/zinc/13/75/29/304137529.db2.gz WGSNTOCHBLTMHI-OAHLLOKOSA-N 1 3 333.480 1.996 20 0 EDADHO CN1CCN(c2ncc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773669 304139483 /nfs/dbraw/zinc/13/94/83/304139483.db2.gz DQRIAHJDCWCIEV-QZTJIDSGSA-N 1 3 344.507 1.050 20 0 EDADHO COC(=O)[C@@]12CCC[C@H]1C[N@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000375595589 284240255 /nfs/dbraw/zinc/24/02/55/284240255.db2.gz FNPXHRKYIDSDTR-PKOBYXMFSA-N 1 3 337.508 1.678 20 0 EDADHO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000375595589 284240258 /nfs/dbraw/zinc/24/02/58/284240258.db2.gz FNPXHRKYIDSDTR-PKOBYXMFSA-N 1 3 337.508 1.678 20 0 EDADHO NC(=O)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100187 304159971 /nfs/dbraw/zinc/15/99/71/304159971.db2.gz HQTCSZGNGMPPQG-LEUOFYLZSA-N 1 3 333.451 1.980 20 0 EDADHO COCCN1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000195146133 139007844 /nfs/dbraw/zinc/00/78/44/139007844.db2.gz VBIZLDBQBZBSLU-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)N1CCCCC1 ZINC000236660016 139027774 /nfs/dbraw/zinc/02/77/74/139027774.db2.gz WAEZAIJTPUCHGV-KRWDZBQOSA-N 1 3 325.497 1.853 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000237299740 139046934 /nfs/dbraw/zinc/04/69/34/139046934.db2.gz XQYQENVIKVVTKM-KRWDZBQOSA-N 1 3 332.492 1.118 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462562 306452956 /nfs/dbraw/zinc/45/29/56/306452956.db2.gz OLACORNWFKMKME-RDBSUJKOSA-N 1 3 343.518 1.476 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000238050004 139067660 /nfs/dbraw/zinc/06/76/60/139067660.db2.gz WBEAMQVLHGOZBF-OAHLLOKOSA-N 1 3 325.522 1.995 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)s1 ZINC000246501975 139111140 /nfs/dbraw/zinc/11/11/40/139111140.db2.gz SPKCGVHEKPPAIU-MBNYWOFBSA-N 1 3 345.534 1.653 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000179853700 299466505 /nfs/dbraw/zinc/46/65/05/299466505.db2.gz ISVHQKRNOIUARZ-MAUKXSAKSA-N 1 3 333.476 1.280 20 0 EDADHO CCCN(C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000415397491 304213417 /nfs/dbraw/zinc/21/34/17/304213417.db2.gz VRRNZLFBSNOARX-QGZVFWFLSA-N 1 3 346.475 1.596 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415417277 304218707 /nfs/dbraw/zinc/21/87/07/304218707.db2.gz VKZAHLKNBZDLKR-OAHLLOKOSA-N 1 3 346.475 1.501 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000261633975 139213040 /nfs/dbraw/zinc/21/30/40/139213040.db2.gz CIXLPJYQDAASBA-CYBMUJFWSA-N 1 3 327.375 1.575 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCOCC1 ZINC000261698977 139218630 /nfs/dbraw/zinc/21/86/30/139218630.db2.gz IADOYURCKITIFW-ZBFHGGJFSA-N 1 3 337.489 1.755 20 0 EDADHO COc1cc(CNC(=O)CC[C@H]2CC[NH2+]C2)ccc1OCCN(C)C ZINC000261888337 139234205 /nfs/dbraw/zinc/23/42/05/139234205.db2.gz SUSYSEKELJGVMB-HNNXBMFYSA-N 1 3 349.475 1.642 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)N(C)C)cc1 ZINC000261928247 139237863 /nfs/dbraw/zinc/23/78/63/139237863.db2.gz ZONPLAABPVXJDD-QZTJIDSGSA-N 1 3 333.476 1.722 20 0 EDADHO N[C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046401 139246437 /nfs/dbraw/zinc/24/64/37/139246437.db2.gz QPFZBCRMXDCLEG-KBPBESRZSA-N 1 3 344.381 1.029 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415512975 304225575 /nfs/dbraw/zinc/22/55/75/304225575.db2.gz VXSYCNLZGUKFLP-AWEZNQCLSA-N 1 3 332.448 1.322 20 0 EDADHO c1cc(OC[C@H]2CCCO2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110091 139251636 /nfs/dbraw/zinc/25/16/36/139251636.db2.gz KEKLWSWIMGTDBV-UYAOXDASSA-N 1 3 345.487 1.724 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417012432 251130907 /nfs/dbraw/zinc/13/09/07/251130907.db2.gz AMPDAVIMYACXCN-HKUYNNGSSA-N 1 3 342.487 1.686 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417015107 251133011 /nfs/dbraw/zinc/13/30/11/251133011.db2.gz DZNKUVKVPLUFNB-YJBOKZPZSA-N 1 3 330.476 1.875 20 0 EDADHO COCC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000262320105 139269791 /nfs/dbraw/zinc/26/97/91/139269791.db2.gz CHIILIGSPFOTKX-SFHVURJKSA-N 1 3 345.487 1.783 20 0 EDADHO CC[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417021607 251136153 /nfs/dbraw/zinc/13/61/53/251136153.db2.gz UIGNVDLQRLIKQG-QZTJIDSGSA-N 1 3 330.476 1.956 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417089887 251140601 /nfs/dbraw/zinc/14/06/01/251140601.db2.gz SGWMYQDQAVFFEU-CEXWTWQISA-N 1 3 342.487 1.902 20 0 EDADHO NC[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000262331960 139270896 /nfs/dbraw/zinc/27/08/96/139270896.db2.gz SHYAPYHOCANBEZ-QGZVFWFLSA-N 1 3 327.428 1.711 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417556628 251186947 /nfs/dbraw/zinc/18/69/47/251186947.db2.gz PAPQWJLCNSKUNP-ZIAGYGMSSA-N 1 3 332.439 1.937 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CNCCC1(F)F ZINC000417556628 251186952 /nfs/dbraw/zinc/18/69/52/251186952.db2.gz PAPQWJLCNSKUNP-ZIAGYGMSSA-N 1 3 332.439 1.937 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000262456764 139280259 /nfs/dbraw/zinc/28/02/59/139280259.db2.gz IESUYVWFLIYKIN-RLFYNMQTSA-N 1 3 333.476 1.532 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719164 251241270 /nfs/dbraw/zinc/24/12/70/251241270.db2.gz WLPLUCZMXNLZQD-QZTJIDSGSA-N 1 3 348.491 1.830 20 0 EDADHO CN(C)C1(CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000417729766 251246953 /nfs/dbraw/zinc/24/69/53/251246953.db2.gz CNGJRSWWRGKWPU-GOSISDBHSA-N 1 3 344.503 1.869 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417833762 251290926 /nfs/dbraw/zinc/29/09/26/251290926.db2.gz URDZFLWFRIUCIZ-ZTFGCOKTSA-N 1 3 330.476 1.934 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000417835399 251290942 /nfs/dbraw/zinc/29/09/42/251290942.db2.gz VZNGRJUJLVNDEG-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417811201 251279324 /nfs/dbraw/zinc/27/93/24/251279324.db2.gz OKYFPWFZOYWZAP-INIZCTEOSA-N 1 3 340.512 1.565 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000418166841 251350953 /nfs/dbraw/zinc/35/09/53/251350953.db2.gz KCKBSFBAGUYUHD-INIZCTEOSA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262553141 139286147 /nfs/dbraw/zinc/28/61/47/139286147.db2.gz ZQWJJYVXKQVGPS-QWHCGFSZSA-N 1 3 347.463 1.824 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686280 251386004 /nfs/dbraw/zinc/38/60/04/251386004.db2.gz OLYIZDYXYRJMGN-ZWKOTPCHSA-N 1 3 330.476 1.725 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000262660029 139294089 /nfs/dbraw/zinc/29/40/89/139294089.db2.gz FXKNUFDATDTQLG-WMLDXEAASA-N 1 3 331.460 1.387 20 0 EDADHO C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000262665940 139294541 /nfs/dbraw/zinc/29/45/41/139294541.db2.gz JQWBDHQJBFHYTR-VQIMIIECSA-N 1 3 345.487 1.893 20 0 EDADHO C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000262648060 139293043 /nfs/dbraw/zinc/29/30/43/139293043.db2.gz POJYULKXRLXLKM-RYRKJORJSA-N 1 3 332.492 1.322 20 0 EDADHO CCN1CCN(Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422890246 252013557 /nfs/dbraw/zinc/01/35/57/252013557.db2.gz HZBDOSIGGRXRAL-FXAWDEMLSA-N 1 3 330.520 1.912 20 0 EDADHO C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(C)CC1 ZINC000423357497 252052209 /nfs/dbraw/zinc/05/22/09/252052209.db2.gz MCXPWOKTHCEERK-DOTOQJQBSA-N 1 3 333.480 1.658 20 0 EDADHO COCC[C@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000424004476 252111932 /nfs/dbraw/zinc/11/19/32/252111932.db2.gz AXGUTEPKDXRXAR-LZLYRXPVSA-N 1 3 335.423 1.095 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791138 252075876 /nfs/dbraw/zinc/07/58/76/252075876.db2.gz GYDNUUWLQHMGBF-NJAFHUGGSA-N 1 3 332.492 1.981 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)C1 ZINC000423802839 252080932 /nfs/dbraw/zinc/08/09/32/252080932.db2.gz VPYPGYBDVLIYNZ-NXHRZFHOSA-N 1 3 330.476 1.750 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000424147756 252143917 /nfs/dbraw/zinc/14/39/17/252143917.db2.gz SDISUQKYHDZMEZ-XHSDSOJGSA-N 1 3 330.432 1.139 20 0 EDADHO CN(CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000424155639 252146719 /nfs/dbraw/zinc/14/67/19/252146719.db2.gz NGGPLGLHAREMOU-MRXNPFEDSA-N 1 3 342.447 1.064 20 0 EDADHO COCCCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424160829 252149716 /nfs/dbraw/zinc/14/97/16/252149716.db2.gz VCBPJVPQHYSKFX-CQSZACIVSA-N 1 3 349.479 1.107 20 0 EDADHO Cc1c(C(=O)Nc2cc(C)cc(CN)c2)nnn1C1CC[NH2+]CC1 ZINC000424250076 252178610 /nfs/dbraw/zinc/17/86/10/252178610.db2.gz WRFUUICQCJPPHM-UHFFFAOYSA-N 1 3 328.420 1.530 20 0 EDADHO COCc1ccc(CNC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424301715 252191918 /nfs/dbraw/zinc/19/19/18/252191918.db2.gz YDOBZSVKQCXWRM-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865162 285022091 /nfs/dbraw/zinc/02/20/91/285022091.db2.gz IEYMBNFBFHQOSP-SJORKVTESA-N 1 3 338.496 1.367 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469766 285055207 /nfs/dbraw/zinc/05/52/07/285055207.db2.gz NKZFCLUVFBWAIO-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265524406 285058707 /nfs/dbraw/zinc/05/87/07/285058707.db2.gz IGWJEYZUALGGOD-ZWKOTPCHSA-N 1 3 348.491 1.618 20 0 EDADHO CC[NH+]1CCC(N[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2cncn2C)CC1 ZINC000344861495 285192203 /nfs/dbraw/zinc/19/22/03/285192203.db2.gz ZGHXGGQRBWHESJ-LPHOPBHVSA-N 1 3 345.491 1.689 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354985840 285201198 /nfs/dbraw/zinc/20/11/98/285201198.db2.gz UBXYOEWHIHTCRG-AEFFLSMTSA-N 1 3 336.524 1.488 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000471642755 255015112 /nfs/dbraw/zinc/01/51/12/255015112.db2.gz DOQDYIULIHXETQ-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757189 285245941 /nfs/dbraw/zinc/24/59/41/285245941.db2.gz MHNXJFMMRWZZQH-JKSUJKDBSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757189 285245944 /nfs/dbraw/zinc/24/59/44/285245944.db2.gz MHNXJFMMRWZZQH-JKSUJKDBSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000249015605 285246072 /nfs/dbraw/zinc/24/60/72/285246072.db2.gz JHFLVELHHJSODI-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000249015605 285246074 /nfs/dbraw/zinc/24/60/74/285246074.db2.gz JHFLVELHHJSODI-GVDBMIGSSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C/C[NH+](C)C ZINC000491890663 255154179 /nfs/dbraw/zinc/15/41/79/255154179.db2.gz HSBMGVPVBYZKIZ-AATRIKPKSA-N 1 3 325.403 1.973 20 0 EDADHO C[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000496223901 255366651 /nfs/dbraw/zinc/36/66/51/255366651.db2.gz GPHAUTMLYDSVOC-DYVFJYSZSA-N 1 3 331.501 1.828 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415799294 304273840 /nfs/dbraw/zinc/27/38/40/304273840.db2.gz CANWMWOUHHJBAE-MRXNPFEDSA-N 1 3 346.475 1.378 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959097 285278501 /nfs/dbraw/zinc/27/85/01/285278501.db2.gz UETHYTCTTWXEPB-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959097 285278503 /nfs/dbraw/zinc/27/85/03/285278503.db2.gz UETHYTCTTWXEPB-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](Oc1cccnc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000117774867 221088507 /nfs/dbraw/zinc/08/85/07/221088507.db2.gz VHCMTIXXSQUYDR-OAHLLOKOSA-N 1 3 346.475 1.524 20 0 EDADHO CN(Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333687073 141357992 /nfs/dbraw/zinc/35/79/92/141357992.db2.gz PJMXUKXWENRQBR-FUHWJXTLSA-N 1 3 345.491 1.830 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCCC1 ZINC000339448481 142047838 /nfs/dbraw/zinc/04/78/38/142047838.db2.gz RXKNGJKARWTUAP-SFHVURJKSA-N 1 3 332.492 1.944 20 0 EDADHO N[C@@H](CC(F)F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000345696530 143122647 /nfs/dbraw/zinc/12/26/47/143122647.db2.gz REJAJQAIZYRWJI-HNNXBMFYSA-N 1 3 325.403 1.792 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000346118233 143169594 /nfs/dbraw/zinc/16/95/94/143169594.db2.gz BBIONSSNSRFSIF-GOSISDBHSA-N 1 3 330.476 1.409 20 0 EDADHO C[N@H+]1CCC[C@@H]1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000346118233 143169595 /nfs/dbraw/zinc/16/95/95/143169595.db2.gz BBIONSSNSRFSIF-GOSISDBHSA-N 1 3 330.476 1.409 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCc2cccc(C[NH+](C)C)c2)N(C)C1 ZINC000346366554 143197152 /nfs/dbraw/zinc/19/71/52/143197152.db2.gz DEJQAZSRSXWSOI-QZTJIDSGSA-N 1 3 348.491 1.609 20 0 EDADHO COc1ccsc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645535 143225666 /nfs/dbraw/zinc/22/56/66/143225666.db2.gz DTURTFVXGUXEMQ-KGLIPLIRSA-N 1 3 337.489 1.837 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 ZINC000416844787 304351319 /nfs/dbraw/zinc/35/13/19/304351319.db2.gz QMCJQBBJLSGSET-UONOGXRCSA-N 1 3 338.477 1.254 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000416974589 304358948 /nfs/dbraw/zinc/35/89/48/304358948.db2.gz XHWUZKBDTIIPSG-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000416973386 304358570 /nfs/dbraw/zinc/35/85/70/304358570.db2.gz INUDBLARIYEDHI-SFHVURJKSA-N 1 3 334.464 1.507 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416979192 304360141 /nfs/dbraw/zinc/36/01/41/304360141.db2.gz WRTPJFNWOLDQLI-YOEHRIQHSA-N 1 3 334.464 1.424 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC2CCC([NH3+])CC2)c1 ZINC000416978655 304360238 /nfs/dbraw/zinc/36/02/38/304360238.db2.gz WDAVVVAPKZUCHX-UHFFFAOYSA-N 1 3 334.464 1.696 20 0 EDADHO CN1CCN(CCCNC(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031465 304363020 /nfs/dbraw/zinc/36/30/20/304363020.db2.gz XLMLIYXBWVEIFL-ZWKOTPCHSA-N 1 3 345.491 1.026 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCCCN1CCc2ccccc2C1 ZINC000417034023 304363734 /nfs/dbraw/zinc/36/37/34/304363734.db2.gz RPPCQLMWOQJFAR-SFHVURJKSA-N 1 3 330.476 1.828 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417044099 304365398 /nfs/dbraw/zinc/36/53/98/304365398.db2.gz MTGQQVGBGHTGCD-KRWDZBQOSA-N 1 3 339.528 1.221 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2CNCCO2)CC1 ZINC000357925449 151198801 /nfs/dbraw/zinc/19/88/01/151198801.db2.gz ICDUCNGPZIKPNX-IBGZPJMESA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417116736 304373919 /nfs/dbraw/zinc/37/39/19/304373919.db2.gz PWNQDKCUOSXKFL-LSDHHAIUSA-N 1 3 340.537 1.740 20 0 EDADHO CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CCN(C2CC2)C1 ZINC000360748589 152185099 /nfs/dbraw/zinc/18/50/99/152185099.db2.gz XBJQJAFMEFPMBA-HOCLYGCPSA-N 1 3 326.510 1.302 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081279 152297316 /nfs/dbraw/zinc/29/73/16/152297316.db2.gz QPPRYPNDYVOWPO-IRXDYDNUSA-N 1 3 331.460 1.745 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173307 152326553 /nfs/dbraw/zinc/32/65/53/152326553.db2.gz FKZIZQXXKWTYLQ-OTWHNJEPSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173307 152326555 /nfs/dbraw/zinc/32/65/55/152326555.db2.gz FKZIZQXXKWTYLQ-OTWHNJEPSA-N 1 3 340.556 1.349 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173307 152326556 /nfs/dbraw/zinc/32/65/56/152326556.db2.gz FKZIZQXXKWTYLQ-OTWHNJEPSA-N 1 3 340.556 1.349 20 0 EDADHO CCN(CC)CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370167005 155360541 /nfs/dbraw/zinc/36/05/41/155360541.db2.gz ZXASLQOMEIVYDR-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585315 153005805 /nfs/dbraw/zinc/00/58/05/153005805.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363585315 153005807 /nfs/dbraw/zinc/00/58/07/153005807.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000363906253 153092588 /nfs/dbraw/zinc/09/25/88/153092588.db2.gz OGVUNXIIPUGOMA-UHFFFAOYSA-N 1 3 346.475 1.507 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417195653 304383387 /nfs/dbraw/zinc/38/33/87/304383387.db2.gz ODMAGPCHWMEPQK-GBESFXJTSA-N 1 3 344.503 1.847 20 0 EDADHO C[N@@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367618447 154199934 /nfs/dbraw/zinc/19/99/34/154199934.db2.gz SIYQGIYXZXXBMM-OKZBNKHCSA-N 1 3 330.476 1.881 20 0 EDADHO C[N@H+]1CC[C@H](NCc2ccc(N3CCOCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367618447 154199939 /nfs/dbraw/zinc/19/99/39/154199939.db2.gz SIYQGIYXZXXBMM-OKZBNKHCSA-N 1 3 330.476 1.881 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367618447 154199941 /nfs/dbraw/zinc/19/99/41/154199941.db2.gz SIYQGIYXZXXBMM-OKZBNKHCSA-N 1 3 330.476 1.881 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000417340114 304392457 /nfs/dbraw/zinc/39/24/57/304392457.db2.gz AAXWKRYSSKNAEU-YESZJQIVSA-N 1 3 346.475 1.506 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903919 286548098 /nfs/dbraw/zinc/54/80/98/286548098.db2.gz PFPHXVWSQNGCGY-KSSFIOAISA-N 1 3 325.497 1.900 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000417524778 304403400 /nfs/dbraw/zinc/40/34/00/304403400.db2.gz KTUDLHUVCYSJPF-INIZCTEOSA-N 1 3 334.464 1.302 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000417532584 304403906 /nfs/dbraw/zinc/40/39/06/304403906.db2.gz WNCYKDZTEMQHJZ-UHFFFAOYSA-N 1 3 334.464 1.301 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000341084857 292349318 /nfs/dbraw/zinc/34/93/18/292349318.db2.gz KBWLEYAJWCWULI-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3c2cccc3CN2CCCC2)O1 ZINC000374606661 157344391 /nfs/dbraw/zinc/34/43/91/157344391.db2.gz CHYMDOBIMXOUBT-QAPCUYQASA-N 1 3 329.444 1.678 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)CC[C@@H]21 ZINC000378185608 158102998 /nfs/dbraw/zinc/10/29/98/158102998.db2.gz RGQWJQMVEZLYME-MSOLQXFVSA-N 1 3 349.519 1.964 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)CC[C@@H]21 ZINC000378185608 158102999 /nfs/dbraw/zinc/10/29/99/158102999.db2.gz RGQWJQMVEZLYME-MSOLQXFVSA-N 1 3 349.519 1.964 20 0 EDADHO C[N@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2ccncc2)CC1 ZINC000378535468 158202801 /nfs/dbraw/zinc/20/28/01/158202801.db2.gz GAULKMOFNBIYQA-GOSISDBHSA-N 1 3 329.448 1.487 20 0 EDADHO C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2ccncc2)CC1 ZINC000378535468 158202804 /nfs/dbraw/zinc/20/28/04/158202804.db2.gz GAULKMOFNBIYQA-GOSISDBHSA-N 1 3 329.448 1.487 20 0 EDADHO CC(C)C[C@H](N[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCCN(C)C ZINC000423021414 304883254 /nfs/dbraw/zinc/88/32/54/304883254.db2.gz CAHFKQZYYXVXEQ-BZSNNMDCSA-N 1 3 340.556 1.979 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418170367 304458693 /nfs/dbraw/zinc/45/86/93/304458693.db2.gz OIYOILXYRZHKEV-OAHLLOKOSA-N 1 3 348.491 1.814 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000159229671 225174475 /nfs/dbraw/zinc/17/44/75/225174475.db2.gz IIIJRNTUMAWVNS-SFHVURJKSA-N 1 3 330.476 1.361 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000659454798 452305596 /nfs/dbraw/zinc/30/55/96/452305596.db2.gz ONTRDVLDLSWADJ-CQSZACIVSA-N 1 3 328.526 1.645 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]CC1 ZINC000169002225 226229527 /nfs/dbraw/zinc/22/95/27/226229527.db2.gz CPTHGLQNNMNJRG-KRWDZBQOSA-N 1 3 331.460 1.536 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418455686 304497302 /nfs/dbraw/zinc/49/73/02/304497302.db2.gz HBDJLOSQYILTGN-UONOGXRCSA-N 1 3 333.436 1.049 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275491699 268350536 /nfs/dbraw/zinc/35/05/36/268350536.db2.gz PSLDAUVPJVCEJT-HNNXBMFYSA-N 1 3 346.475 1.139 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)CC(C)C ZINC000647994348 452735771 /nfs/dbraw/zinc/73/57/71/452735771.db2.gz ZJLWFZUOEBQFMH-PMPSAXMXSA-N 1 3 328.501 1.059 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245670146 276185923 /nfs/dbraw/zinc/18/59/23/276185923.db2.gz FHJPAXVXBHDNDQ-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000245670146 276185924 /nfs/dbraw/zinc/18/59/24/276185924.db2.gz FHJPAXVXBHDNDQ-MSOLQXFVSA-N 1 3 332.492 1.943 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003224 276384307 /nfs/dbraw/zinc/38/43/07/276384307.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 1 3 341.544 1.288 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358003224 276384308 /nfs/dbraw/zinc/38/43/08/276384308.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 1 3 341.544 1.288 20 0 EDADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000339573814 279104931 /nfs/dbraw/zinc/10/49/31/279104931.db2.gz FPLDIZXUWUIUJK-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000351002533 279155380 /nfs/dbraw/zinc/15/53/80/279155380.db2.gz OCQJWJHFSUJDAC-OWCLPIDISA-N 1 3 340.512 1.212 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102515 279265630 /nfs/dbraw/zinc/26/56/30/279265630.db2.gz HHJFAOWIKSFOCG-KZNAEPCWSA-N 1 3 336.524 1.345 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358900 /nfs/dbraw/zinc/35/89/00/279358900.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 1 3 338.540 1.638 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358904 /nfs/dbraw/zinc/35/89/04/279358904.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 1 3 338.540 1.638 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCN2CCCOCC2)CC1 ZINC000349349456 279375385 /nfs/dbraw/zinc/37/53/85/279375385.db2.gz OGQFYMLQRJBMSJ-UHFFFAOYSA-N 1 3 346.519 1.640 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582146 290042145 /nfs/dbraw/zinc/04/21/45/290042145.db2.gz VRNJBLMJVYQJNS-RTBURBONSA-N 1 3 344.503 1.624 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000333567186 290229769 /nfs/dbraw/zinc/22/97/69/290229769.db2.gz RLGZBMXPTNIBIK-XSWLTDPXSA-N 1 3 346.519 1.876 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@H](C)[C@@H]1CC[NH2+]C1)CC2 ZINC000422771917 295040220 /nfs/dbraw/zinc/04/02/20/295040220.db2.gz WHTRXHOOIDQANR-GDBMZVCRSA-N 1 3 333.476 1.650 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992122 297106306 /nfs/dbraw/zinc/10/63/06/297106306.db2.gz LURFNMRSYBZANL-OLMNPRSZSA-N 1 3 346.475 1.050 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418790669 304531693 /nfs/dbraw/zinc/53/16/93/304531693.db2.gz NBCIJUARXNEBPX-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1CN1CCCCC1 ZINC000423358465 304598533 /nfs/dbraw/zinc/59/85/33/304598533.db2.gz UFPLYHJYCKWVDE-ROUUACIJSA-N 1 3 345.491 1.898 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419993368 304722978 /nfs/dbraw/zinc/72/29/78/304722978.db2.gz KFPVBKXZOOYRMS-AWEZNQCLSA-N 1 3 340.512 1.199 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000422029035 447315710 /nfs/dbraw/zinc/31/57/10/447315710.db2.gz ZAWJBHHDBCNNNC-SFHVURJKSA-N 1 3 338.540 1.591 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000294990746 303159960 /nfs/dbraw/zinc/15/99/60/303159960.db2.gz HOEJACRUNCZMOS-OAHLLOKOSA-N 1 3 333.476 1.648 20 0 EDADHO NCCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC1CCCC1 ZINC000352487436 303377731 /nfs/dbraw/zinc/37/77/31/303377731.db2.gz FAVKAFBXLHOCQQ-UHFFFAOYSA-N 1 3 336.480 1.692 20 0 EDADHO NCCC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC1CCCC1 ZINC000352487436 303377732 /nfs/dbraw/zinc/37/77/32/303377732.db2.gz FAVKAFBXLHOCQQ-UHFFFAOYSA-N 1 3 336.480 1.692 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000363704422 303475256 /nfs/dbraw/zinc/47/52/56/303475256.db2.gz ULESSGKUXDQIDT-JFMONLCZSA-N 1 3 331.435 2.000 20 0 EDADHO COC(CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000372875730 447330379 /nfs/dbraw/zinc/33/03/79/447330379.db2.gz DRLDFILGYQDMJF-UHFFFAOYSA-N 1 3 327.513 1.733 20 0 EDADHO O=C(NC[C@H]1CNCCO1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000333558703 303810613 /nfs/dbraw/zinc/81/06/13/303810613.db2.gz QFXCJOVWHMDUNL-DLBZAZTESA-N 1 3 338.496 1.272 20 0 EDADHO [NH3+]CCCn1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)nn1 ZINC000423298518 304891647 /nfs/dbraw/zinc/89/16/47/304891647.db2.gz AJDUPGDSHXWFEK-QGZVFWFLSA-N 1 3 342.447 1.194 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(OC)CC[NH2+]CC1 ZINC000423744534 304907617 /nfs/dbraw/zinc/90/76/17/304907617.db2.gz ODNNQHMTYHBGAB-UHFFFAOYSA-N 1 3 333.476 1.865 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1 ZINC000424461254 304930843 /nfs/dbraw/zinc/93/08/43/304930843.db2.gz CXOCEFXPAHDYJN-PBHICJAKSA-N 1 3 344.459 1.477 20 0 EDADHO C[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H](N)c1ccccc1 ZINC000429031406 305023336 /nfs/dbraw/zinc/02/33/36/305023336.db2.gz SDHIQNYVZOHWTA-KSSFIOAISA-N 1 3 339.443 1.766 20 0 EDADHO C[C@]1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873425 305066593 /nfs/dbraw/zinc/06/65/93/305066593.db2.gz SLQAPJCMCGWKTO-KXBFYZLASA-N 1 3 344.459 1.322 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071064 /nfs/dbraw/zinc/07/10/64/305071064.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 1 3 344.503 1.310 20 0 EDADHO CCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000431086428 305074666 /nfs/dbraw/zinc/07/46/66/305074666.db2.gz QTSABSMCEODVIX-UHFFFAOYSA-N 1 3 332.448 1.578 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434522042 305124038 /nfs/dbraw/zinc/12/40/38/305124038.db2.gz FHXSBHWHIMQMJN-MSOLQXFVSA-N 1 3 337.508 1.913 20 0 EDADHO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C1CCN(C)CC1 ZINC000435599292 305143051 /nfs/dbraw/zinc/14/30/51/305143051.db2.gz SJTOQBKFHRDRMG-CQSZACIVSA-N 1 3 336.505 1.731 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CCN(C[C@@H](C)O)CC2)CC1 ZINC000438267715 305184151 /nfs/dbraw/zinc/18/41/51/305184151.db2.gz BJKMKUQDFLZDIB-GOSISDBHSA-N 1 3 346.519 1.327 20 0 EDADHO C[C@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000440988017 305215863 /nfs/dbraw/zinc/21/58/63/305215863.db2.gz XSMZITYOKGEDED-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760900 305229817 /nfs/dbraw/zinc/22/98/17/305229817.db2.gz AUKHAPKLFLAJHE-LSDHHAIUSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760900 305229818 /nfs/dbraw/zinc/22/98/18/305229818.db2.gz AUKHAPKLFLAJHE-LSDHHAIUSA-N 1 3 344.459 1.811 20 0 EDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760900 305229819 /nfs/dbraw/zinc/22/98/19/305229819.db2.gz AUKHAPKLFLAJHE-LSDHHAIUSA-N 1 3 344.459 1.811 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000449120029 305307105 /nfs/dbraw/zinc/30/71/05/305307105.db2.gz BTEACHWPYFVXFQ-OAHLLOKOSA-N 1 3 341.496 1.402 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000454612493 305431938 /nfs/dbraw/zinc/43/19/38/305431938.db2.gz SLGLVEAVRBCGTF-QGZVFWFLSA-N 1 3 340.537 1.740 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000457379958 305487584 /nfs/dbraw/zinc/48/75/84/305487584.db2.gz OXSHHPFFGMRLEU-CRAIPNDOSA-N 1 3 330.476 1.780 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922028 447357097 /nfs/dbraw/zinc/35/70/97/447357097.db2.gz GCDWOZOGYGKKDM-BBRMVZONSA-N 1 3 332.448 1.588 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000552215573 306177908 /nfs/dbraw/zinc/17/79/08/306177908.db2.gz XRSQEOGSWKNIQV-IJEWVQPXSA-N 1 3 327.513 1.355 20 0 EDADHO COCC1(CNCc2cc(OC)c(OC)cc2OC)CC[NH2+]CC1 ZINC000414957664 447373989 /nfs/dbraw/zinc/37/39/89/447373989.db2.gz QISMPPXQPFFJEZ-UHFFFAOYSA-N 1 3 338.448 1.818 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCCN2CCCO)C1 ZINC000458496871 447388333 /nfs/dbraw/zinc/38/83/33/447388333.db2.gz ISHGMMGTWSNLLO-BZUAXINKSA-N 1 3 326.485 1.005 20 0 EDADHO CN(CCNC(=O)C1CC[NH+](CCCO)CC1)Cc1ccccc1 ZINC000081156150 441236777 /nfs/dbraw/zinc/23/67/77/441236777.db2.gz CQDZELGALRLKFQ-UHFFFAOYSA-N 1 3 333.476 1.329 20 0 EDADHO CC[NH+](CC)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072794678 441259084 /nfs/dbraw/zinc/25/90/84/441259084.db2.gz FWKAATFJGUBMTL-UHFFFAOYSA-N 1 3 325.497 1.870 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCCCC1 ZINC000073243108 441304251 /nfs/dbraw/zinc/30/42/51/441304251.db2.gz LAMMMRVJVCHUPX-KRWDZBQOSA-N 1 3 339.524 1.946 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(O)CCCCC1 ZINC000073243108 441304254 /nfs/dbraw/zinc/30/42/54/441304254.db2.gz LAMMMRVJVCHUPX-KRWDZBQOSA-N 1 3 339.524 1.946 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243143 441304440 /nfs/dbraw/zinc/30/44/40/441304440.db2.gz BHFRGRZRCLRQGY-GOSISDBHSA-N 1 3 346.475 1.743 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243143 441304441 /nfs/dbraw/zinc/30/44/41/441304441.db2.gz BHFRGRZRCLRQGY-GOSISDBHSA-N 1 3 346.475 1.743 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108561193 441464560 /nfs/dbraw/zinc/46/45/60/441464560.db2.gz CUPYJADLOFPAFK-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108561193 441464565 /nfs/dbraw/zinc/46/45/65/441464565.db2.gz CUPYJADLOFPAFK-ROUUACIJSA-N 1 3 332.492 1.800 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CC2(O)CCOCC2)CC1 ZINC000088701724 441518180 /nfs/dbraw/zinc/51/81/80/441518180.db2.gz HCSCBLMAYPSIOT-UHFFFAOYSA-N 1 3 333.476 1.460 20 0 EDADHO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)o1 ZINC000114506625 441665084 /nfs/dbraw/zinc/66/50/84/441665084.db2.gz MFAPMETWRGSFJV-WMZOPIPTSA-N 1 3 335.492 1.883 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273883 441716027 /nfs/dbraw/zinc/71/60/27/441716027.db2.gz LSEJJMAAUPRLII-IAGOWNOFSA-N 1 3 346.475 1.135 20 0 EDADHO CN1CCN(C(=O)CC2CC[NH+](CCN3CCCCC3)CC2)CC1 ZINC000077285274 441747973 /nfs/dbraw/zinc/74/79/73/441747973.db2.gz WIMPFRRTIUPPEZ-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415440851 447442229 /nfs/dbraw/zinc/44/22/29/447442229.db2.gz MRZBRJZXIZYMKU-HIFRSBDPSA-N 1 3 332.448 1.191 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116538063 441829344 /nfs/dbraw/zinc/82/93/44/441829344.db2.gz RFVKMUHZZITTKS-INIZCTEOSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000124315792 441915956 /nfs/dbraw/zinc/91/59/56/441915956.db2.gz GQVMODWHOVKHJK-MRXNPFEDSA-N 1 3 348.491 1.903 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000150999730 441988847 /nfs/dbraw/zinc/98/88/47/441988847.db2.gz YVDCSSGGLJUUBZ-MRXNPFEDSA-N 1 3 342.491 1.944 20 0 EDADHO C[C@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCC[NH2+]C1 ZINC000120229583 442032962 /nfs/dbraw/zinc/03/29/62/442032962.db2.gz GMMRZNIXUQMWKL-FQEVSTJZSA-N 1 3 345.487 1.649 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000121188685 442189766 /nfs/dbraw/zinc/18/97/66/442189766.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000121188685 442189770 /nfs/dbraw/zinc/18/97/70/442189770.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 1 3 340.512 1.374 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+](C)CCOC ZINC000176414076 442219612 /nfs/dbraw/zinc/21/96/12/442219612.db2.gz NAGQJNZMWUURGP-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@@H+](C)CCOC ZINC000176414076 442219614 /nfs/dbraw/zinc/21/96/14/442219614.db2.gz NAGQJNZMWUURGP-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO Cc1cccc2c1CC[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168898450 442225239 /nfs/dbraw/zinc/22/52/39/442225239.db2.gz KEDIFRQQSIUTRP-HXUWFJFHSA-N 1 3 331.504 1.962 20 0 EDADHO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168913061 442225502 /nfs/dbraw/zinc/22/55/02/442225502.db2.gz DBWRBNGKKYNQHD-YLJYHZDGSA-N 1 3 331.504 1.900 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC000129320805 442311510 /nfs/dbraw/zinc/31/15/10/442311510.db2.gz YSHWQOYFEVRTBG-MSOLQXFVSA-N 1 3 332.492 1.752 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000171122693 442316191 /nfs/dbraw/zinc/31/61/91/442316191.db2.gz LOUZAIHWDCZVJK-XHSDSOJGSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000130917433 442359597 /nfs/dbraw/zinc/35/95/97/442359597.db2.gz JOWSPPHAIOZTFB-JZXOWHBKSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000133190255 442408031 /nfs/dbraw/zinc/40/80/31/442408031.db2.gz UTIOXQVEFPTMOA-AWEZNQCLSA-N 1 3 348.491 1.779 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000134070054 442448981 /nfs/dbraw/zinc/44/89/81/442448981.db2.gz JEOOAFANDIPYBG-MRXNPFEDSA-N 1 3 346.475 1.487 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000134070054 442448983 /nfs/dbraw/zinc/44/89/83/442448983.db2.gz JEOOAFANDIPYBG-MRXNPFEDSA-N 1 3 346.475 1.487 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H](CN)c3ccccc3)CC2)CC1 ZINC000178743535 442472349 /nfs/dbraw/zinc/47/23/49/442472349.db2.gz WJVGQMMSJPOIBY-IBGZPJMESA-N 1 3 344.503 1.404 20 0 EDADHO C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)[C@H](C)[NH3+] ZINC000192118924 442597223 /nfs/dbraw/zinc/59/72/23/442597223.db2.gz BSQXIWOHDRAZRP-JKIFEVAISA-N 1 3 346.475 1.775 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000187122069 442653781 /nfs/dbraw/zinc/65/37/81/442653781.db2.gz MNUBNJRWFFLDCL-KRWDZBQOSA-N 1 3 342.528 1.356 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170373 442719877 /nfs/dbraw/zinc/71/98/77/442719877.db2.gz KDLHFGFJUVHVHZ-HXUWFJFHSA-N 1 3 345.487 1.424 20 0 EDADHO CN1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000193928683 442814088 /nfs/dbraw/zinc/81/40/88/442814088.db2.gz AQTNDJXDKVAJHM-KRWDZBQOSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000193928683 442814092 /nfs/dbraw/zinc/81/40/92/442814092.db2.gz AQTNDJXDKVAJHM-KRWDZBQOSA-N 1 3 330.476 1.902 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000247326132 442847500 /nfs/dbraw/zinc/84/75/00/442847500.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCOCC2)C1 ZINC000247326132 442847505 /nfs/dbraw/zinc/84/75/05/442847505.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO COCCN1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000171356768 318433936 /nfs/dbraw/zinc/43/39/36/318433936.db2.gz WHXYXACONZMMJZ-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CC[C@]1(CO)CCCN1CC1(C[N@@H+]2CCC[C@]2(CC)CO)COC1 ZINC000251889503 443019486 /nfs/dbraw/zinc/01/94/86/443019486.db2.gz QFQZGZLSMUQKTP-RTBURBONSA-N 1 3 340.508 1.477 20 0 EDADHO CC[C@]1(CO)CCCN1CC1(C[N@H+]2CCC[C@]2(CC)CO)COC1 ZINC000251889503 443019489 /nfs/dbraw/zinc/01/94/89/443019489.db2.gz QFQZGZLSMUQKTP-RTBURBONSA-N 1 3 340.508 1.477 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189964986 443038900 /nfs/dbraw/zinc/03/89/00/443038900.db2.gz QSGSQNKAJDTRBN-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790476 443108826 /nfs/dbraw/zinc/10/88/26/443108826.db2.gz GFKSFKBPHNRSCR-MRXNPFEDSA-N 1 3 326.448 1.735 20 0 EDADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](CO)C(C)(C)C ZINC000184988869 443112234 /nfs/dbraw/zinc/11/22/34/443112234.db2.gz XCKDRDZTEBWUEI-DLBZAZTESA-N 1 3 335.492 1.744 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000266446174 443129231 /nfs/dbraw/zinc/12/92/31/443129231.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000266446174 443129235 /nfs/dbraw/zinc/12/92/35/443129235.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269207132 443233342 /nfs/dbraw/zinc/23/33/42/443233342.db2.gz ODZNSAFNFUKVLM-ZWKOTPCHSA-N 1 3 344.503 1.703 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245657640 443242993 /nfs/dbraw/zinc/24/29/93/443242993.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245657640 443242995 /nfs/dbraw/zinc/24/29/95/443242995.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCCN2)[C@@H](C)C1 ZINC000262758462 443210732 /nfs/dbraw/zinc/21/07/32/443210732.db2.gz ICLLMPJZLVWGHU-JYJNAYRXSA-N 1 3 343.537 1.335 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CSCCN2)[C@@H](C)C1 ZINC000262758462 443210736 /nfs/dbraw/zinc/21/07/36/443210736.db2.gz ICLLMPJZLVWGHU-JYJNAYRXSA-N 1 3 343.537 1.335 20 0 EDADHO CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185730435 443246502 /nfs/dbraw/zinc/24/65/02/443246502.db2.gz UXTPVKGVUIJAOR-HUUCEWRRSA-N 1 3 331.526 1.558 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000414674620 319339706 /nfs/dbraw/zinc/33/97/06/319339706.db2.gz KVKCSRSLQKSNTA-JKSUJKDBSA-N 1 3 346.475 1.768 20 0 EDADHO CCOC(=O)C1CCN(C(=O)CN(C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688015 319342600 /nfs/dbraw/zinc/34/26/00/319342600.db2.gz CPNSPKJYJWCXLG-CABCVRRESA-N 1 3 339.480 1.108 20 0 EDADHO COc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415084873 319346192 /nfs/dbraw/zinc/34/61/92/319346192.db2.gz RSNOBPQELOUNNK-LBPRGKRZSA-N 1 3 325.840 1.636 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415749520 319369781 /nfs/dbraw/zinc/36/97/81/319369781.db2.gz RDDJAKKUXBXKFD-JKSUJKDBSA-N 1 3 344.459 1.063 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269270752 443260855 /nfs/dbraw/zinc/26/08/55/443260855.db2.gz SIFLGFZWSUZCOC-ZWKOTPCHSA-N 1 3 333.476 1.532 20 0 EDADHO C[C@H](CNC(=O)[C@H](C)N(C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000266837716 443262486 /nfs/dbraw/zinc/26/24/86/443262486.db2.gz MLQXAHKTMATUSN-MSOLQXFVSA-N 1 3 346.519 1.507 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H](C)CCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000185814677 443262813 /nfs/dbraw/zinc/26/28/13/443262813.db2.gz QNHRLWLKRUDLKL-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000416826974 319464298 /nfs/dbraw/zinc/46/42/98/319464298.db2.gz CIIABPCQKLLZLQ-KBAYOESNSA-N 1 3 332.492 1.786 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH3+])CCC1 ZINC000418517859 319503992 /nfs/dbraw/zinc/50/39/92/319503992.db2.gz KISXCFCIZHGJQU-UHFFFAOYSA-N 1 3 340.418 1.919 20 0 EDADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccn[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000272496862 443340199 /nfs/dbraw/zinc/34/01/99/443340199.db2.gz DFAWJIZXNNVTGT-RDJZCZTQSA-N 1 3 341.459 1.782 20 0 EDADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccn[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000272496862 443340203 /nfs/dbraw/zinc/34/02/03/443340203.db2.gz DFAWJIZXNNVTGT-RDJZCZTQSA-N 1 3 341.459 1.782 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732279 319734753 /nfs/dbraw/zinc/73/47/53/319734753.db2.gz NXVHSOJNYSPAPQ-RDJZCZTQSA-N 1 3 327.432 1.739 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944241 319739277 /nfs/dbraw/zinc/73/92/77/319739277.db2.gz ZQIJBHZSCOWCIS-GDBMZVCRSA-N 1 3 325.478 1.380 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000272367295 443604542 /nfs/dbraw/zinc/60/45/42/443604542.db2.gz ZZKCVXIDANEXOQ-DLBZAZTESA-N 1 3 330.476 1.394 20 0 EDADHO CC[C@H](C(=O)N1C[C@H](C)N(C(=O)[C@H](CC)N(C)C)C[C@H]1C)[NH+](C)C ZINC000441425032 320094952 /nfs/dbraw/zinc/09/49/52/320094952.db2.gz JTUNOBUDZBLIFU-GEEKYZPCSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C)N(C)C ZINC000441425032 320094955 /nfs/dbraw/zinc/09/49/55/320094955.db2.gz JTUNOBUDZBLIFU-GEEKYZPCSA-N 1 3 340.512 1.115 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447962212 320150480 /nfs/dbraw/zinc/15/04/80/320150480.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 1 3 328.501 1.374 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447962212 320150482 /nfs/dbraw/zinc/15/04/82/320150482.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(=O)[nH]n1 ZINC000286224905 443671644 /nfs/dbraw/zinc/67/16/44/443671644.db2.gz SPALMPFNMPXBBH-HNNXBMFYSA-N 1 3 342.447 1.028 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@@H+]1CCCC[C@H]1C ZINC000457725707 320333531 /nfs/dbraw/zinc/33/35/31/320333531.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@H+]1CCCC[C@H]1C ZINC000457725707 320333532 /nfs/dbraw/zinc/33/35/32/320333532.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458841970 320342833 /nfs/dbraw/zinc/34/28/33/320342833.db2.gz GINIFIDONUWJOI-QGZVFWFLSA-N 1 3 340.512 1.399 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314856 320346049 /nfs/dbraw/zinc/34/60/49/320346049.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314856 320346050 /nfs/dbraw/zinc/34/60/50/320346050.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H]1NC(=O)N(CCN2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000459381872 320347846 /nfs/dbraw/zinc/34/78/46/320347846.db2.gz VQIZINYLHHJAHD-OAHLLOKOSA-N 1 3 336.480 1.515 20 0 EDADHO C[C@@H]1NC(=O)N(CCN2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000459381870 320347956 /nfs/dbraw/zinc/34/79/56/320347956.db2.gz VQIZINYLHHJAHD-HNNXBMFYSA-N 1 3 336.480 1.515 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn2cccnc2n1 ZINC000298170563 443711356 /nfs/dbraw/zinc/71/13/56/443711356.db2.gz UGMISTNTGPSLOK-KRWDZBQOSA-N 1 3 330.480 1.577 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn2cccnc2n1 ZINC000298170563 443711361 /nfs/dbraw/zinc/71/13/61/443711361.db2.gz UGMISTNTGPSLOK-KRWDZBQOSA-N 1 3 330.480 1.577 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000531441740 320661083 /nfs/dbraw/zinc/66/10/83/320661083.db2.gz BXELYDUSQSVVMZ-UHFFFAOYSA-N 1 3 346.475 1.179 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032244 /nfs/dbraw/zinc/03/22/44/444032244.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 1 3 332.492 1.556 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885420 444032246 /nfs/dbraw/zinc/03/22/46/444032246.db2.gz ANEXMWPTRWFXNR-MJGOQNOKSA-N 1 3 332.492 1.556 20 0 EDADHO CCC(=O)N1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824360 321150262 /nfs/dbraw/zinc/15/02/62/321150262.db2.gz IZGSEXMQRCFSDT-ZSZQSSIHSA-N 1 3 329.444 1.843 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564852076 321151050 /nfs/dbraw/zinc/15/10/50/321151050.db2.gz JEOZXFQBQOYVMQ-KURKYZTESA-N 1 3 328.497 1.377 20 0 EDADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564852076 321151052 /nfs/dbraw/zinc/15/10/52/321151052.db2.gz JEOZXFQBQOYVMQ-KURKYZTESA-N 1 3 328.497 1.377 20 0 EDADHO CCOC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC000566105544 321215259 /nfs/dbraw/zinc/21/52/59/321215259.db2.gz MKQVDNOXSSJDCR-LJQANCHMSA-N 1 3 335.492 1.311 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000567841442 321261583 /nfs/dbraw/zinc/26/15/83/321261583.db2.gz CUIHOXLCKFLIGD-FGTMMUONSA-N 1 3 331.460 1.474 20 0 EDADHO O=C(NCCNc1ccncc1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568160977 321277658 /nfs/dbraw/zinc/27/76/58/321277658.db2.gz KIOXATGFRZAZTK-DLBZAZTESA-N 1 3 344.846 1.688 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313994 /nfs/dbraw/zinc/31/39/94/321313994.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 1 3 325.419 1.648 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN(C)C1CCN(CCC(F)(F)F)CC1 ZINC000568998559 321313996 /nfs/dbraw/zinc/31/39/96/321313996.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 1 3 325.419 1.648 20 0 EDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000570934121 321364716 /nfs/dbraw/zinc/36/47/16/321364716.db2.gz GKKWNSMVHGCDMX-DNVCBOLYSA-N 1 3 344.503 1.424 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000289343106 444112698 /nfs/dbraw/zinc/11/26/98/444112698.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 1 3 345.487 1.678 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000289343106 444112702 /nfs/dbraw/zinc/11/27/02/444112702.db2.gz JPPCBHPEQZQSHJ-IBGZPJMESA-N 1 3 345.487 1.678 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000573474366 321455801 /nfs/dbraw/zinc/45/58/01/321455801.db2.gz SMEOAHRHVBHOHM-AEFFLSMTSA-N 1 3 330.476 1.572 20 0 EDADHO C[C@H](C(=O)N1CCc2ccccc21)N(C)CCCN(C)CC[NH+](C)C ZINC000289505926 444160817 /nfs/dbraw/zinc/16/08/17/444160817.db2.gz UPEDPMWAYPNNCG-QGZVFWFLSA-N 1 3 346.519 1.780 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000295170269 444167833 /nfs/dbraw/zinc/16/78/33/444167833.db2.gz LKHNIYHCPAGOPD-MRXNPFEDSA-N 1 3 333.480 1.098 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000289838373 444209811 /nfs/dbraw/zinc/20/98/11/444209811.db2.gz AVHMEJKTMIPCKK-QWHCGFSZSA-N 1 3 339.461 1.282 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000290046041 444234651 /nfs/dbraw/zinc/23/46/51/444234651.db2.gz RHEGNCBUXURRKZ-HXUWFJFHSA-N 1 3 346.519 1.475 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1)C1CC1 ZINC000290046041 444234652 /nfs/dbraw/zinc/23/46/52/444234652.db2.gz RHEGNCBUXURRKZ-HXUWFJFHSA-N 1 3 346.519 1.475 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000296582472 444240318 /nfs/dbraw/zinc/24/03/18/444240318.db2.gz WYDYYVNHDGRRKD-PKOBYXMFSA-N 1 3 346.519 1.870 20 0 EDADHO COc1cccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000578376762 321765388 /nfs/dbraw/zinc/76/53/88/321765388.db2.gz SIDKJBRKYMXXDA-UHFFFAOYSA-N 1 3 336.480 1.373 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000579089132 321880481 /nfs/dbraw/zinc/88/04/81/321880481.db2.gz DUJNPDZGFZNZFI-LJQANCHMSA-N 1 3 344.459 1.289 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccccc1CCN(C)C)C[NH+](C)C ZINC000340658419 444474055 /nfs/dbraw/zinc/47/40/55/444474055.db2.gz BKXWLXNMFOFYKA-AWEZNQCLSA-N 1 3 334.464 1.043 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000580708765 322084907 /nfs/dbraw/zinc/08/49/07/322084907.db2.gz XGBNMLZJDUBSDQ-RHSMWYFYSA-N 1 3 331.460 1.975 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1 ZINC000581320943 322164273 /nfs/dbraw/zinc/16/42/73/322164273.db2.gz SSIFVLRCAMLYJT-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581380226 322171148 /nfs/dbraw/zinc/17/11/48/322171148.db2.gz MEGYNPKGCISWRR-DLBZAZTESA-N 1 3 339.505 1.874 20 0 EDADHO CC[C@@H](CNC(=O)C1([NH3+])CCOCC1)N1CCc2ccccc2C1 ZINC000338152643 444538757 /nfs/dbraw/zinc/53/87/57/444538757.db2.gz BKSWFOBRRDWNBZ-KRWDZBQOSA-N 1 3 331.460 1.447 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC1 ZINC000341014950 444631927 /nfs/dbraw/zinc/63/19/27/444631927.db2.gz BEBARAYIAQBDQN-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCOC1 ZINC000341014950 444631931 /nfs/dbraw/zinc/63/19/31/444631931.db2.gz BEBARAYIAQBDQN-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342342606 444642763 /nfs/dbraw/zinc/64/27/63/444642763.db2.gz DXAFTPBZVAEXBO-WBVHZDCISA-N 1 3 340.512 1.469 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(CCOC)C2)CC1 ZINC000341158480 444702082 /nfs/dbraw/zinc/70/20/82/444702082.db2.gz ICPDFSOQZSEMLK-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CN(CCCN(C)CC(=O)NC1CCCCCC1)CC[NH+](C)C ZINC000344072328 444765634 /nfs/dbraw/zinc/76/56/34/444765634.db2.gz SKSYANYKJHVRGW-UHFFFAOYSA-N 1 3 326.529 1.641 20 0 EDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)NCCF ZINC000337377378 445054379 /nfs/dbraw/zinc/05/43/79/445054379.db2.gz HISFOKKWBWKVDD-DZOHQFGASA-N 1 3 333.451 1.961 20 0 EDADHO C[C@H](CC(N)=O)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000341899887 445061213 /nfs/dbraw/zinc/06/12/13/445061213.db2.gz ODNCLGFFDGSIKC-QGZVFWFLSA-N 1 3 332.492 1.438 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000337509964 445111670 /nfs/dbraw/zinc/11/16/70/445111670.db2.gz UHTCSWSPIREMAO-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)Cc2ccccn2)C1 ZINC000337509964 445111673 /nfs/dbraw/zinc/11/16/73/445111673.db2.gz UHTCSWSPIREMAO-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000343220414 445146299 /nfs/dbraw/zinc/14/62/99/445146299.db2.gz SDRNCIDOKMXYMK-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@H](C)O1 ZINC000343243961 445156987 /nfs/dbraw/zinc/15/69/87/445156987.db2.gz GNTBGYCVKSPCBK-ZWJWXYIHSA-N 1 3 339.524 1.623 20 0 EDADHO CCC[C@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000343338807 445204812 /nfs/dbraw/zinc/20/48/12/445204812.db2.gz LSBKICHSSHDAFL-GOSISDBHSA-N 1 3 347.507 1.440 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000346972446 445228968 /nfs/dbraw/zinc/22/89/68/445228968.db2.gz HJNFWYNLISLZPV-INIZCTEOSA-N 1 3 329.510 1.312 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000343471187 445229058 /nfs/dbraw/zinc/22/90/58/445229058.db2.gz FDMQPKLCIHVOCF-WMZOPIPTSA-N 1 3 345.491 1.098 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N(C)C1 ZINC000347534452 445241729 /nfs/dbraw/zinc/24/17/29/445241729.db2.gz AAMWXXATCONZFM-CAOSSQGBSA-N 1 3 326.485 1.220 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C1 ZINC000347534455 445242236 /nfs/dbraw/zinc/24/22/36/445242236.db2.gz AAMWXXATCONZFM-KLHDSHLOSA-N 1 3 326.485 1.220 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)N(C)C1 ZINC000347681139 445244615 /nfs/dbraw/zinc/24/46/15/445244615.db2.gz JMRXMIOVGMCQRA-BACDZXNISA-N 1 3 340.512 1.467 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CN(C)C[C@@H]3C)cc2)CC1 ZINC000343587718 445252663 /nfs/dbraw/zinc/25/26/63/445252663.db2.gz FOWNVHSHDANETC-FXAWDEMLSA-N 1 3 330.520 1.864 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000351639924 445253906 /nfs/dbraw/zinc/25/39/06/445253906.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 1 3 327.517 1.044 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000351639924 445253910 /nfs/dbraw/zinc/25/39/10/445253910.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 1 3 327.517 1.044 20 0 EDADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280513 /nfs/dbraw/zinc/28/05/13/445280513.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 1 3 327.513 1.261 20 0 EDADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280518 /nfs/dbraw/zinc/28/05/18/445280518.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 1 3 327.513 1.261 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280520 /nfs/dbraw/zinc/28/05/20/445280520.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 1 3 327.513 1.261 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000354527118 445280524 /nfs/dbraw/zinc/28/05/24/445280524.db2.gz CPBXTEVVJCHZHV-FPSMNIFISA-N 1 3 327.513 1.261 20 0 EDADHO CC1CCN(CC(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000354669249 445333088 /nfs/dbraw/zinc/33/30/88/445333088.db2.gz KIXUQLAFKMFCIW-CALCHBBNSA-N 1 3 325.497 1.724 20 0 EDADHO CC1CCN(CC(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000354669249 445333091 /nfs/dbraw/zinc/33/30/91/445333091.db2.gz KIXUQLAFKMFCIW-CALCHBBNSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564960 445442190 /nfs/dbraw/zinc/44/21/90/445442190.db2.gz PQBZDGVWATUTFA-AWEZNQCLSA-N 1 3 349.479 1.106 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C2CCOCC2)CC1 ZINC000348950428 445452007 /nfs/dbraw/zinc/45/20/07/445452007.db2.gz QCTHIPFAMUIWBB-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126380 445508916 /nfs/dbraw/zinc/50/89/16/445508916.db2.gz SHDOKXJWQPYRIU-QUCCMNQESA-N 1 3 347.503 1.718 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352126380 445508926 /nfs/dbraw/zinc/50/89/26/445508926.db2.gz SHDOKXJWQPYRIU-QUCCMNQESA-N 1 3 347.503 1.718 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000355813343 445490963 /nfs/dbraw/zinc/49/09/63/445490963.db2.gz OJMSABORSABQID-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000355813343 445490967 /nfs/dbraw/zinc/49/09/67/445490967.db2.gz OJMSABORSABQID-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COC(=O)c1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)cn1C ZINC000349064728 445493424 /nfs/dbraw/zinc/49/34/24/445493424.db2.gz VWNJAFVQXJUWOJ-UHFFFAOYSA-N 1 3 336.480 1.270 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000360171054 445610096 /nfs/dbraw/zinc/61/00/96/445610096.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000360171054 445610100 /nfs/dbraw/zinc/61/01/00/445610100.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO COc1ccccc1[C@@H](C)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358513119 445626092 /nfs/dbraw/zinc/62/60/92/445626092.db2.gz VYFNCRYOMFWOHD-OAHLLOKOSA-N 1 3 331.460 1.948 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001440 445645317 /nfs/dbraw/zinc/64/53/17/445645317.db2.gz NNQFPVJDQRRVFG-QAPCUYQASA-N 1 3 330.476 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001440 445645321 /nfs/dbraw/zinc/64/53/21/445645321.db2.gz NNQFPVJDQRRVFG-QAPCUYQASA-N 1 3 330.476 1.954 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356177682 445662938 /nfs/dbraw/zinc/66/29/38/445662938.db2.gz BVJUXIAEZLFWBA-GOSISDBHSA-N 1 3 341.459 1.388 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000353635929 445685208 /nfs/dbraw/zinc/68/52/08/445685208.db2.gz NXNBJHACDYPRDL-ROUUACIJSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000358700186 445725918 /nfs/dbraw/zinc/72/59/18/445725918.db2.gz YZTWLUSZTVAUGS-JFIYKMOQSA-N 1 3 340.512 1.110 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467882 445773363 /nfs/dbraw/zinc/77/33/63/445773363.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752362 445738464 /nfs/dbraw/zinc/73/84/64/445738464.db2.gz GEQFBHPDVWLGLP-AEFFLSMTSA-N 1 3 345.487 1.911 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000353752362 445738469 /nfs/dbraw/zinc/73/84/69/445738469.db2.gz GEQFBHPDVWLGLP-AEFFLSMTSA-N 1 3 345.487 1.911 20 0 EDADHO Cc1cn[nH]c1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000356341604 445743275 /nfs/dbraw/zinc/74/32/75/445743275.db2.gz KYVLZXLSNDKBCS-UHFFFAOYSA-N 1 3 333.480 1.532 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762134 445743634 /nfs/dbraw/zinc/74/36/34/445743634.db2.gz XUHNXPUMGIZTLP-INIZCTEOSA-N 1 3 339.480 1.252 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000361498199 445789636 /nfs/dbraw/zinc/78/96/36/445789636.db2.gz SBTRGPNAZJREKY-DOTOQJQBSA-N 1 3 342.553 1.987 20 0 EDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000353971275 445834422 /nfs/dbraw/zinc/83/44/22/445834422.db2.gz JICPQFDMMBXFNW-OAHLLOKOSA-N 1 3 331.526 1.653 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000583417930 326067569 /nfs/dbraw/zinc/06/75/69/326067569.db2.gz NCURHEFWVLURNG-UHFFFAOYSA-N 1 3 344.459 1.104 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000583838777 326148209 /nfs/dbraw/zinc/14/82/09/326148209.db2.gz BVVOXAVANPOCKZ-UHFFFAOYSA-N 1 3 348.491 1.703 20 0 EDADHO CCc1cccc(F)c1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000354345924 446129669 /nfs/dbraw/zinc/12/96/69/446129669.db2.gz FATQQJABZVHVRO-UHFFFAOYSA-N 1 3 337.483 1.868 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000359351310 446167472 /nfs/dbraw/zinc/16/74/72/446167472.db2.gz ZBHUDZZSFUQMQU-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000359351310 446167476 /nfs/dbraw/zinc/16/74/76/446167476.db2.gz ZBHUDZZSFUQMQU-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000362072096 446193110 /nfs/dbraw/zinc/19/31/10/446193110.db2.gz KLVRGKNILPJARU-VQIMIIECSA-N 1 3 345.487 1.459 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)C[C@@H]2CC=CCC2)CC1 ZINC000362246504 446284334 /nfs/dbraw/zinc/28/43/34/446284334.db2.gz ZYVYZPVKTKABAZ-QGZVFWFLSA-N 1 3 337.508 1.892 20 0 EDADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000359597562 446312030 /nfs/dbraw/zinc/31/20/30/446312030.db2.gz ZSMHRGDXDSJALQ-AHRSYUTCSA-N 1 3 347.503 1.998 20 0 EDADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000359597562 446312032 /nfs/dbraw/zinc/31/20/32/446312032.db2.gz ZSMHRGDXDSJALQ-AHRSYUTCSA-N 1 3 347.503 1.998 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000366744212 446331549 /nfs/dbraw/zinc/33/15/49/446331549.db2.gz HSYHZULTWGFXTP-MRXNPFEDSA-N 1 3 348.495 2.098 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000417951997 446397057 /nfs/dbraw/zinc/39/70/57/446397057.db2.gz NVIWQUXDENOEIJ-GOEBONIOSA-N 1 3 349.479 1.291 20 0 EDADHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000370774497 446431937 /nfs/dbraw/zinc/43/19/37/446431937.db2.gz RRVRKDBCYWBARK-LUKYLMHMSA-N 1 3 333.501 1.828 20 0 EDADHO CSCC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000370774497 446431940 /nfs/dbraw/zinc/43/19/40/446431940.db2.gz RRVRKDBCYWBARK-LUKYLMHMSA-N 1 3 333.501 1.828 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418076090 446432929 /nfs/dbraw/zinc/43/29/29/446432929.db2.gz QYBGEJRFBPGRNN-DOTOQJQBSA-N 1 3 334.464 1.172 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418009445 446414284 /nfs/dbraw/zinc/41/42/84/446414284.db2.gz IITBBZDTGCGDRK-YSHGAJCASA-N 1 3 342.487 1.758 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418191167 446454370 /nfs/dbraw/zinc/45/43/70/446454370.db2.gz KKYGMACMSOVUKI-OWLYRPNTSA-N 1 3 328.460 1.510 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN(C)CC1 ZINC000418201811 446455519 /nfs/dbraw/zinc/45/55/19/446455519.db2.gz SOQNCEQAXMRRDH-UONOGXRCSA-N 1 3 326.510 1.065 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000420317392 446484139 /nfs/dbraw/zinc/48/41/39/446484139.db2.gz MXVYBNFOWLMFKV-SUMDDJOVSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000420317392 446484146 /nfs/dbraw/zinc/48/41/46/446484146.db2.gz MXVYBNFOWLMFKV-SUMDDJOVSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1 ZINC000420317392 446484152 /nfs/dbraw/zinc/48/41/52/446484152.db2.gz MXVYBNFOWLMFKV-SUMDDJOVSA-N 1 3 333.476 1.390 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423378650 446510700 /nfs/dbraw/zinc/51/07/00/446510700.db2.gz MLMBVWZDLSFZOB-KFWWJZLASA-N 1 3 333.480 1.869 20 0 EDADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418381655 446522571 /nfs/dbraw/zinc/52/25/71/446522571.db2.gz MGIGBNIWZHXYLF-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CNC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347694 446523500 /nfs/dbraw/zinc/52/35/00/446523500.db2.gz ZEWPZSKILBTWGT-BMFZPTHFSA-N 1 3 344.459 1.305 20 0 EDADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373200 446551168 /nfs/dbraw/zinc/55/11/68/446551168.db2.gz QWZDZQVQRIAEDK-DVOMOZLQSA-N 1 3 326.462 1.445 20 0 EDADHO CCC[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1CCOC ZINC000420373279 446551848 /nfs/dbraw/zinc/55/18/48/446551848.db2.gz MKRULWAHZHMOQQ-AABGKKOBSA-N 1 3 349.519 1.350 20 0 EDADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000423480352 446552738 /nfs/dbraw/zinc/55/27/38/446552738.db2.gz VUCVCDDZTDQGQA-GSEOLPGOSA-N 1 3 347.478 1.875 20 0 EDADHO C[C@H](NCCOCC[NH3+])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420402310 446574803 /nfs/dbraw/zinc/57/48/03/446574803.db2.gz JZVUGDHJACBYNJ-AWEZNQCLSA-N 1 3 328.416 1.960 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000418665034 446640941 /nfs/dbraw/zinc/64/09/41/446640941.db2.gz DLMTYTDSLXTMHP-ROUUACIJSA-N 1 3 348.491 1.613 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000423747596 446677125 /nfs/dbraw/zinc/67/71/25/446677125.db2.gz SRBDHQYCWOOTBD-MOPGFXCFSA-N 1 3 344.503 1.705 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000423747596 446677129 /nfs/dbraw/zinc/67/71/29/446677129.db2.gz SRBDHQYCWOOTBD-MOPGFXCFSA-N 1 3 344.503 1.705 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423650544 446624848 /nfs/dbraw/zinc/62/48/48/446624848.db2.gz LELNPXJBEFZARJ-KRWDZBQOSA-N 1 3 345.443 1.751 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000423650544 446624853 /nfs/dbraw/zinc/62/48/53/446624853.db2.gz LELNPXJBEFZARJ-KRWDZBQOSA-N 1 3 345.443 1.751 20 0 EDADHO CN(CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774184 /nfs/dbraw/zinc/77/41/84/446774184.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 1 3 348.510 1.969 20 0 EDADHO CN(CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774187 /nfs/dbraw/zinc/77/41/87/446774187.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 1 3 348.510 1.969 20 0 EDADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCN1C ZINC000418959166 446829092 /nfs/dbraw/zinc/82/90/92/446829092.db2.gz HFHYNCKDCSEQSO-GOEBONIOSA-N 1 3 338.496 1.014 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419023843 446870993 /nfs/dbraw/zinc/87/09/93/446870993.db2.gz JZLBYDRSVFNPPF-GJZGRUSLSA-N 1 3 340.512 1.247 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCN(C(C)C)C3=O)CC2)CC1 ZINC000420973048 446942914 /nfs/dbraw/zinc/94/29/14/446942914.db2.gz BWOZLTBGWQVOMV-SFHVURJKSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@H]3CCN(C(C)C)C3=O)CC2)CC1 ZINC000420973048 446942919 /nfs/dbraw/zinc/94/29/19/446942919.db2.gz BWOZLTBGWQVOMV-SFHVURJKSA-N 1 3 336.524 1.488 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCN(C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099680 447000867 /nfs/dbraw/zinc/00/08/67/447000867.db2.gz XOQWTFXUGCPAOF-ZFWWWQNUSA-N 1 3 337.489 1.626 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375802675 447063291 /nfs/dbraw/zinc/06/32/91/447063291.db2.gz VQCDYMUFKJFVSS-KURKYZTESA-N 1 3 331.460 1.887 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375802675 447063296 /nfs/dbraw/zinc/06/32/96/447063296.db2.gz VQCDYMUFKJFVSS-KURKYZTESA-N 1 3 331.460 1.887 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227271 447079557 /nfs/dbraw/zinc/07/95/57/447079557.db2.gz AOJJVYBWPZWFLZ-QGZVFWFLSA-N 1 3 348.491 1.563 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000419410113 447158646 /nfs/dbraw/zinc/15/86/46/447158646.db2.gz AIOJKTDFDYSDTI-IAGOWNOFSA-N 1 3 346.475 1.039 20 0 EDADHO CC[C@H](C)[C@H](OC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376020201 447213256 /nfs/dbraw/zinc/21/32/56/447213256.db2.gz DZIGDGJIOBTOTF-YOEHRIQHSA-N 1 3 325.497 1.722 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993486 447197896 /nfs/dbraw/zinc/19/78/96/447197896.db2.gz QHENGELJIBARHF-ZWKOTPCHSA-N 1 3 331.460 1.756 20 0 EDADHO CC(C)([NH3+])CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415472487 447464856 /nfs/dbraw/zinc/46/48/56/447464856.db2.gz XCXNKZRSDNFASB-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390862174 447504556 /nfs/dbraw/zinc/50/45/56/447504556.db2.gz IFHPVLWADMCTOH-MJGOQNOKSA-N 1 3 331.460 1.536 20 0 EDADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390861251 447504849 /nfs/dbraw/zinc/50/48/49/447504849.db2.gz MBUXUTTUMWBWOO-SFHVURJKSA-N 1 3 333.476 1.782 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390869675 447505021 /nfs/dbraw/zinc/50/50/21/447505021.db2.gz FSJSTOBCHSNUCV-IEBWSBKVSA-N 1 3 345.487 1.783 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000415982818 447529284 /nfs/dbraw/zinc/52/92/84/447529284.db2.gz LTJCEOCSCDSGKM-UHFFFAOYSA-N 1 3 347.507 1.944 20 0 EDADHO C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)CN1CCN(C)CC1 ZINC000457558231 447597444 /nfs/dbraw/zinc/59/74/44/447597444.db2.gz PYPRZBBREBTGHF-MRXNPFEDSA-N 1 3 336.524 1.251 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)Cc2ccccc2C1 ZINC000422608681 447667515 /nfs/dbraw/zinc/66/75/15/447667515.db2.gz VSRHSCMNXGWPSH-UHFFFAOYSA-N 1 3 342.487 1.623 20 0 EDADHO C[C@H]([C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422733080 447732240 /nfs/dbraw/zinc/73/22/40/447732240.db2.gz ARYDAJSSJUFSNA-QXOCSCLMSA-N 1 3 345.487 1.941 20 0 EDADHO C[C@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1cnccc1N ZINC000422772256 447746332 /nfs/dbraw/zinc/74/63/32/447746332.db2.gz SHZRJVPVJYHLJJ-KRWDZBQOSA-N 1 3 339.487 1.963 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(N3CCNCC3)cn2)cc1 ZINC000422785113 447748917 /nfs/dbraw/zinc/74/89/17/447748917.db2.gz OUZIMVUSYYRCCC-CYBMUJFWSA-N 1 3 325.416 1.763 20 0 EDADHO CN(C[C@](C)(O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811801 /nfs/dbraw/zinc/81/18/01/447811801.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@](C)(O)C[N@H+]1CC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811804 /nfs/dbraw/zinc/81/18/04/447811804.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 1 3 341.496 1.632 20 0 EDADHO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471834701 447815049 /nfs/dbraw/zinc/81/50/49/447815049.db2.gz SVJNAAKUEIYERU-SJORKVTESA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000471834701 447815054 /nfs/dbraw/zinc/81/50/54/447815054.db2.gz SVJNAAKUEIYERU-SJORKVTESA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834701 447815056 /nfs/dbraw/zinc/81/50/56/447815056.db2.gz SVJNAAKUEIYERU-SJORKVTESA-N 1 3 346.475 1.504 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404344 447767708 /nfs/dbraw/zinc/76/77/08/447767708.db2.gz UQKYTNLMJNADIL-VBQJREDUSA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404344 447767713 /nfs/dbraw/zinc/76/77/13/447767713.db2.gz UQKYTNLMJNADIL-VBQJREDUSA-N 1 3 329.485 1.725 20 0 EDADHO CN(C)CCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897159 447771634 /nfs/dbraw/zinc/77/16/34/447771634.db2.gz JFNBAENDGCEGHG-SLFFLAALSA-N 1 3 347.503 1.874 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051833 447798424 /nfs/dbraw/zinc/79/84/24/447798424.db2.gz OGSYKAVBSMOMPZ-HUUCEWRRSA-N 1 3 328.478 1.501 20 0 EDADHO C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000496661376 447843282 /nfs/dbraw/zinc/84/32/82/447843282.db2.gz LVHPMAPGUZYHMM-DYVFJYSZSA-N 1 3 327.469 1.502 20 0 EDADHO C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000569707725 447872967 /nfs/dbraw/zinc/87/29/67/447872967.db2.gz KIMQPSUBHCGPAU-BBRMVZONSA-N 1 3 332.448 1.399 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523649096 447895737 /nfs/dbraw/zinc/89/57/37/447895737.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 1 3 339.480 1.204 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523649096 447895741 /nfs/dbraw/zinc/89/57/41/447895741.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 1 3 339.480 1.204 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C(C)C ZINC000530813977 447962197 /nfs/dbraw/zinc/96/21/97/447962197.db2.gz ZZYOKFWRJNEEBO-FQEVSTJZSA-N 1 3 347.503 1.858 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3nccn3C)CC2)CC1 ZINC000553429155 447993685 /nfs/dbraw/zinc/99/36/85/447993685.db2.gz RGWWUQTXRMXMPG-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000576211662 447999456 /nfs/dbraw/zinc/99/94/56/447999456.db2.gz UGEONEBNXUUMEB-KBAYOESNSA-N 1 3 345.491 1.025 20 0 EDADHO C[C@@H](CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046758 448007617 /nfs/dbraw/zinc/00/76/17/448007617.db2.gz ZNYVRTRFDQZKSH-PXNSSMCTSA-N 1 3 345.487 1.472 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049467 448007697 /nfs/dbraw/zinc/00/76/97/448007697.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 1 3 333.476 1.470 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049467 448007702 /nfs/dbraw/zinc/00/77/02/448007702.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 1 3 333.476 1.470 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832401 448072037 /nfs/dbraw/zinc/07/20/37/448072037.db2.gz RHUBDAJPKOFEPF-INDMIFKZSA-N 1 3 342.487 1.302 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832401 448072042 /nfs/dbraw/zinc/07/20/42/448072042.db2.gz RHUBDAJPKOFEPF-INDMIFKZSA-N 1 3 342.487 1.302 20 0 EDADHO CC(C)CCn1nccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000526162967 448109843 /nfs/dbraw/zinc/10/98/43/448109843.db2.gz RTCPQZMZLOJJKI-UHFFFAOYSA-N 1 3 338.500 1.886 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156469 448111701 /nfs/dbraw/zinc/11/17/01/448111701.db2.gz DBKSBZXHLQKKIA-MSOLQXFVSA-N 1 3 331.508 1.973 20 0 EDADHO CC[C@@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497028036 448137629 /nfs/dbraw/zinc/13/76/29/448137629.db2.gz LPOAOIDSHHIAFP-ZNMIVQPWSA-N 1 3 329.485 1.677 20 0 EDADHO Cc1ccc(NC(=O)CCNCCC[N@@H+]2CCCO[C@@H](C)C2)nc1 ZINC000577484082 448308219 /nfs/dbraw/zinc/30/82/19/448308219.db2.gz MJFBVZRIIHMVHY-INIZCTEOSA-N 1 3 334.464 1.809 20 0 EDADHO Cc1ccc(NC(=O)CCNCCC[N@H+]2CCCO[C@@H](C)C2)nc1 ZINC000577484082 448308226 /nfs/dbraw/zinc/30/82/26/448308226.db2.gz MJFBVZRIIHMVHY-INIZCTEOSA-N 1 3 334.464 1.809 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000516024266 448370236 /nfs/dbraw/zinc/37/02/36/448370236.db2.gz NQJXQWTXBGVXCB-MAUKXSAKSA-N 1 3 344.503 1.854 20 0 EDADHO CCC[C@H]1CN(CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084285 448420496 /nfs/dbraw/zinc/42/04/96/448420496.db2.gz JZVYHZQGVLZHBF-FQEVSTJZSA-N 1 3 330.520 1.878 20 0 EDADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000516563267 448438052 /nfs/dbraw/zinc/43/80/52/448438052.db2.gz AXHQUUNZHBCVEL-GVDBMIGSSA-N 1 3 342.480 1.048 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CCN(C)C)n1 ZINC000578081115 448457545 /nfs/dbraw/zinc/45/75/45/448457545.db2.gz LXOLJYZDMJTJBN-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(CCN(C)C)n1 ZINC000578081115 448457548 /nfs/dbraw/zinc/45/75/48/448457548.db2.gz LXOLJYZDMJTJBN-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)nn3C)CC2)CC1 ZINC000578347939 448525498 /nfs/dbraw/zinc/52/54/98/448525498.db2.gz VZRXLJXZVRTPHU-UHFFFAOYSA-N 1 3 333.480 1.863 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000573215399 448571450 /nfs/dbraw/zinc/57/14/50/448571450.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 1 3 344.503 1.403 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000573215399 448571454 /nfs/dbraw/zinc/57/14/54/448571454.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 1 3 344.503 1.403 20 0 EDADHO CCCN(C)CC(=O)N1[C@H](C)CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC000567321041 448662651 /nfs/dbraw/zinc/66/26/51/448662651.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1[C@H](C)CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC000567321041 448662654 /nfs/dbraw/zinc/66/26/54/448662654.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC000567321041 448662658 /nfs/dbraw/zinc/66/26/58/448662658.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO CCCN(C)CC(=O)N1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC000567321041 448662664 /nfs/dbraw/zinc/66/26/64/448662664.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 1 3 340.512 1.118 20 0 EDADHO C[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1Cc1ccccc1 ZINC000573583865 448665582 /nfs/dbraw/zinc/66/55/82/448665582.db2.gz PYNMDMMVQVEFJA-VUHPKUFZSA-N 1 3 328.460 1.558 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000579099752 448714038 /nfs/dbraw/zinc/71/40/38/448714038.db2.gz IVDATRINRKDYAG-RDJZCZTQSA-N 1 3 344.459 1.578 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1NCCc2ccccc21 ZINC000567571524 448715653 /nfs/dbraw/zinc/71/56/53/448715653.db2.gz LPYZUNMUMCIGJG-KDOFPFPSSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1NCCc2ccccc21 ZINC000567571524 448715657 /nfs/dbraw/zinc/71/56/57/448715657.db2.gz LPYZUNMUMCIGJG-KDOFPFPSSA-N 1 3 328.460 1.657 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@@H]1CN)c1ccccc1 ZINC000519635151 448807369 /nfs/dbraw/zinc/80/73/69/448807369.db2.gz UZEHVBGJQYSIHD-RDJZCZTQSA-N 1 3 347.507 1.400 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1nccs1 ZINC000546041097 448817176 /nfs/dbraw/zinc/81/71/76/448817176.db2.gz SJEKPOIDCOFTEK-ZDUSSCGKSA-N 1 3 327.498 1.381 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319733 448821026 /nfs/dbraw/zinc/82/10/26/448821026.db2.gz CLZCDLCYGSGBMQ-RDJZCZTQSA-N 1 3 346.475 1.314 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254770 448846691 /nfs/dbraw/zinc/84/66/91/448846691.db2.gz NHCGMTPLCMBLKN-GDBMZVCRSA-N 1 3 337.420 1.656 20 0 EDADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000529390390 448854302 /nfs/dbraw/zinc/85/43/02/448854302.db2.gz YOOHCHJXMJDOCC-GUDVDZBRSA-N 1 3 347.503 1.573 20 0 EDADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000529390390 448854307 /nfs/dbraw/zinc/85/43/07/448854307.db2.gz YOOHCHJXMJDOCC-GUDVDZBRSA-N 1 3 347.503 1.573 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492561 448862518 /nfs/dbraw/zinc/86/25/18/448862518.db2.gz AKSDZVNKPJZYHZ-HUUCEWRRSA-N 1 3 336.480 1.466 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)COCc1ccccc1 ZINC000521863238 449020569 /nfs/dbraw/zinc/02/05/69/449020569.db2.gz VBDBHZTULBGDHK-VAMGGRTRSA-N 1 3 348.487 1.532 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961331 449085335 /nfs/dbraw/zinc/08/53/35/449085335.db2.gz LBGXDQHFTXCZMU-ZNMIVQPWSA-N 1 3 331.464 1.418 20 0 EDADHO COc1ccc(CN2CC[C@H]2C[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000530241289 449091912 /nfs/dbraw/zinc/09/19/12/449091912.db2.gz PPOFLBZRBJSEEI-ROUUACIJSA-N 1 3 333.476 1.316 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN(C)CC1 ZINC000599923676 449110045 /nfs/dbraw/zinc/11/00/45/449110045.db2.gz LQVLMUNQZTXSLC-CYBMUJFWSA-N 1 3 326.510 1.398 20 0 EDADHO C[C@H](NC(=O)N1CCC(OCCN(C)C)CC1)C1CC[NH+](C)CC1 ZINC000606703445 449512521 /nfs/dbraw/zinc/51/25/21/449512521.db2.gz URZWIBYRALEXDV-HNNXBMFYSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC000617504807 449649675 /nfs/dbraw/zinc/64/96/75/449649675.db2.gz LCTQDEBAAPCWMY-NSHDSACASA-N 1 3 349.401 1.441 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnn(C)c1C(F)(F)F ZINC000617504807 449649680 /nfs/dbraw/zinc/64/96/80/449649680.db2.gz LCTQDEBAAPCWMY-NSHDSACASA-N 1 3 349.401 1.441 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000617502518 449646178 /nfs/dbraw/zinc/64/61/78/449646178.db2.gz RWSWEFTZCYSPGQ-YTQUADARSA-N 1 3 347.503 1.805 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000617502518 449646183 /nfs/dbraw/zinc/64/61/83/449646183.db2.gz RWSWEFTZCYSPGQ-YTQUADARSA-N 1 3 347.503 1.805 20 0 EDADHO CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000612427394 449697667 /nfs/dbraw/zinc/69/76/67/449697667.db2.gz XPCOWLKJLBZBJJ-UHFFFAOYSA-N 1 3 341.496 1.450 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629533 449890353 /nfs/dbraw/zinc/89/03/53/449890353.db2.gz NJHPYXYUKYEBCK-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629533 449890358 /nfs/dbraw/zinc/89/03/58/449890358.db2.gz NJHPYXYUKYEBCK-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000612868223 449917758 /nfs/dbraw/zinc/91/77/58/449917758.db2.gz PUFOUQPWOLIPLB-IEBWSBKVSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612961876 449957170 /nfs/dbraw/zinc/95/71/70/449957170.db2.gz CSBKXTKTVUQIKF-GOSISDBHSA-N 1 3 342.487 1.876 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000615270187 450034575 /nfs/dbraw/zinc/03/45/75/450034575.db2.gz PCQPICVYHLXNEW-SJORKVTESA-N 1 3 337.508 1.820 20 0 EDADHO CN(C)CCn1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000620937858 450564638 /nfs/dbraw/zinc/56/46/38/450564638.db2.gz DXNPOIAAFGYSPW-UHFFFAOYSA-N 1 3 333.480 1.297 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000626062256 450565915 /nfs/dbraw/zinc/56/59/15/450565915.db2.gz MVJBLQNORHCPEW-IBGZPJMESA-N 1 3 335.492 1.263 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000620966614 450566699 /nfs/dbraw/zinc/56/66/99/450566699.db2.gz KENOKSHSIJYMND-GOSISDBHSA-N 1 3 333.476 1.931 20 0 EDADHO Cc1ccc2ncc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510307 450720746 /nfs/dbraw/zinc/72/07/46/450720746.db2.gz BZUFCXBRUXOBCI-INIZCTEOSA-N 1 3 326.444 1.830 20 0 EDADHO CCN(CC[NH3+])CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000629557702 450734693 /nfs/dbraw/zinc/73/46/93/450734693.db2.gz DEOYSKKKHREQAW-UHFFFAOYSA-N 1 3 332.492 1.310 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@@H+]1C ZINC000631744492 450746286 /nfs/dbraw/zinc/74/62/86/450746286.db2.gz VIJNFTWYFBJMAN-OCVGTWLNSA-N 1 3 329.510 1.452 20 0 EDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@H+]1C ZINC000631744492 450746290 /nfs/dbraw/zinc/74/62/90/450746290.db2.gz VIJNFTWYFBJMAN-OCVGTWLNSA-N 1 3 329.510 1.452 20 0 EDADHO Cn1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000629649976 450770966 /nfs/dbraw/zinc/77/09/66/450770966.db2.gz MTRHKBMGPBCYIL-INIZCTEOSA-N 1 3 328.464 1.537 20 0 EDADHO Cn1ccc(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000629649976 450770970 /nfs/dbraw/zinc/77/09/70/450770970.db2.gz MTRHKBMGPBCYIL-INIZCTEOSA-N 1 3 328.464 1.537 20 0 EDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830079 450801984 /nfs/dbraw/zinc/80/19/84/450801984.db2.gz IXOVCWBMPFYEBU-ARFHVFGLSA-N 1 3 333.480 1.424 20 0 EDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830079 450801989 /nfs/dbraw/zinc/80/19/89/450801989.db2.gz IXOVCWBMPFYEBU-ARFHVFGLSA-N 1 3 333.480 1.424 20 0 EDADHO CN(CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)CC(C)(C)C ZINC000635458907 450959458 /nfs/dbraw/zinc/95/94/58/450959458.db2.gz WSIVEGFRQUYCOM-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000632016884 450971052 /nfs/dbraw/zinc/97/10/52/450971052.db2.gz GLNMVJSVXOORHI-INIZCTEOSA-N 1 3 329.510 1.220 20 0 EDADHO [NH3+]CC1(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCOCC1 ZINC000626916496 451002403 /nfs/dbraw/zinc/00/24/03/451002403.db2.gz GXSGTSPLCHOGOA-KRWDZBQOSA-N 1 3 346.475 1.631 20 0 EDADHO CCN1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000626923052 451006226 /nfs/dbraw/zinc/00/62/26/451006226.db2.gz KHCZALYLULWDKU-DGCLKSJQSA-N 1 3 336.402 1.639 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000626938324 451019274 /nfs/dbraw/zinc/01/92/74/451019274.db2.gz CNONFLCZHNFBAQ-UHFFFAOYSA-N 1 3 348.491 1.440 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCC1(C)C ZINC000622096959 451041748 /nfs/dbraw/zinc/04/17/48/451041748.db2.gz JANCLGSGDZSVAF-MRXNPFEDSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626970899 451042136 /nfs/dbraw/zinc/04/21/36/451042136.db2.gz VVUIIIUZFYNJKF-WBVHZDCISA-N 1 3 348.491 1.609 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000626993970 451059352 /nfs/dbraw/zinc/05/93/52/451059352.db2.gz SGRRBIUKRGGACQ-AEFFLSMTSA-N 1 3 348.491 1.432 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000626995513 451060853 /nfs/dbraw/zinc/06/08/53/451060853.db2.gz VPPQNJPIXFIOKK-FUHWJXTLSA-N 1 3 348.491 1.704 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627008386 451072593 /nfs/dbraw/zinc/07/25/93/451072593.db2.gz GRIZKDFSQOQYKT-DLBZAZTESA-N 1 3 331.464 1.738 20 0 EDADHO C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C[NH2+]1 ZINC000627011972 451076855 /nfs/dbraw/zinc/07/68/55/451076855.db2.gz NVBOMNGUORKQMP-JLSDUUJJSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000627015776 451080888 /nfs/dbraw/zinc/08/08/88/451080888.db2.gz BJRFHDQYJZSMJG-QGTPRVQTSA-N 1 3 330.476 1.947 20 0 EDADHO C[C@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000627033826 451093182 /nfs/dbraw/zinc/09/31/82/451093182.db2.gz VTHRHGSTICBIPT-GOEBONIOSA-N 1 3 334.464 1.485 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000627038721 451095528 /nfs/dbraw/zinc/09/55/28/451095528.db2.gz LZHNOGUJBAIELE-DOTOQJQBSA-N 1 3 334.464 1.314 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000638116010 451285284 /nfs/dbraw/zinc/28/52/84/451285284.db2.gz BZUIZGHBKKMVTL-AOIWGVFYSA-N 1 3 331.460 1.534 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638139588 451314213 /nfs/dbraw/zinc/31/42/13/451314213.db2.gz MSKLFAKVOFZOFT-QGZVFWFLSA-N 1 3 338.540 1.816 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638203330 451353525 /nfs/dbraw/zinc/35/35/25/451353525.db2.gz FATKNDRBHIVJIC-DLBZAZTESA-N 1 3 344.503 1.579 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928381 451372642 /nfs/dbraw/zinc/37/26/42/451372642.db2.gz FMYOPRZFZZAXOB-XKGZKEIXSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928381 451372646 /nfs/dbraw/zinc/37/26/46/451372646.db2.gz FMYOPRZFZZAXOB-XKGZKEIXSA-N 1 3 345.487 1.591 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCCC[NH2+]C3CC3)ccc2[nH]c1=O ZINC000638374389 451470102 /nfs/dbraw/zinc/47/01/02/451470102.db2.gz KXTNAMBPPVXJNG-UHFFFAOYSA-N 1 3 345.447 1.175 20 0 EDADHO O[C@]1(C[NH2+][C@@H]2CCN3CCCC[C@H]23)CCN(Cc2ccccc2)C1 ZINC000634699930 451473807 /nfs/dbraw/zinc/47/38/07/451473807.db2.gz QQYWZRFDBOJUOU-AQNXPRMDSA-N 1 3 329.488 1.840 20 0 EDADHO C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000634710610 451489091 /nfs/dbraw/zinc/48/90/91/451489091.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 1 3 329.488 1.863 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000638423578 451506803 /nfs/dbraw/zinc/50/68/03/451506803.db2.gz ZMWMHXZGHUGDBO-MRXNPFEDSA-N 1 3 340.439 1.390 20 0 EDADHO CN(CC(=O)NCC1CC[NH+](C2CCOCC2)CC1)CC(C)(C)C ZINC000636157590 451552772 /nfs/dbraw/zinc/55/27/72/451552772.db2.gz OCKQMBNQINXDBG-UHFFFAOYSA-N 1 3 339.524 1.972 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638548138 451571091 /nfs/dbraw/zinc/57/10/91/451571091.db2.gz BHYHREZMJNGETJ-KRWDZBQOSA-N 1 3 340.556 1.085 20 0 EDADHO NC[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638546669 451571698 /nfs/dbraw/zinc/57/16/98/451571698.db2.gz GGKCHCFYSNTOTN-MELADBBJSA-N 1 3 329.366 1.715 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000638644672 451627666 /nfs/dbraw/zinc/62/76/66/451627666.db2.gz RRKKGWIPVZWGES-NVXWUHKLSA-N 1 3 330.476 1.699 20 0 EDADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010040 451648399 /nfs/dbraw/zinc/64/83/99/451648399.db2.gz PUBNUWSUSWZVFY-GJZGRUSLSA-N 1 3 338.477 1.259 20 0 EDADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635010042 451648610 /nfs/dbraw/zinc/64/86/10/451648610.db2.gz PUBNUWSUSWZVFY-HUUCEWRRSA-N 1 3 338.477 1.259 20 0 EDADHO O=C(c1ccc2c(c1)CNC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638783019 451690294 /nfs/dbraw/zinc/69/02/94/451690294.db2.gz FWZQXAKKNGLNNM-SFHVURJKSA-N 1 3 329.444 1.521 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1(C)C ZINC000638859167 451712913 /nfs/dbraw/zinc/71/29/13/451712913.db2.gz JSYZBWSLKGKSRS-HNAYVOBHSA-N 1 3 337.508 1.996 20 0 EDADHO CO[C@@]1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCOC1 ZINC000639044195 451756572 /nfs/dbraw/zinc/75/65/72/451756572.db2.gz GSGZEBZXCZDHHE-GOSISDBHSA-N 1 3 325.497 1.141 20 0 EDADHO CN([C@@H](c1nccn1C)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172008 451784711 /nfs/dbraw/zinc/78/47/11/451784711.db2.gz FYRFFMRJYADOFI-QZTJIDSGSA-N 1 3 331.508 1.972 20 0 EDADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646795492 451844793 /nfs/dbraw/zinc/84/47/93/451844793.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 1 3 347.503 1.636 20 0 EDADHO COCCN(C)CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646795492 451844795 /nfs/dbraw/zinc/84/47/95/451844795.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 1 3 347.503 1.636 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)CN1CCCC[C@@H](N)C1=O)CC(C)C ZINC000649285381 451959093 /nfs/dbraw/zinc/95/90/93/451959093.db2.gz UIFQJHDSFFYUQY-JKSUJKDBSA-N 1 3 340.512 1.199 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cnn1C ZINC000649306912 451984031 /nfs/dbraw/zinc/98/40/31/451984031.db2.gz ZBQAYFQYVZCUPM-DTDBQYNISA-N 1 3 347.507 1.268 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)N3CCN4CCC3CC4)cn2)CC1 ZINC000637664549 452006725 /nfs/dbraw/zinc/00/67/25/452006725.db2.gz RMFIUXKKKXBEAH-UHFFFAOYSA-N 1 3 332.452 1.462 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982541 452008949 /nfs/dbraw/zinc/00/89/49/452008949.db2.gz WUODRSWGPIRKSM-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639686906 452023295 /nfs/dbraw/zinc/02/32/95/452023295.db2.gz PJHSOYIUSLSIEU-QGZVFWFLSA-N 1 3 332.496 1.257 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639686906 452023299 /nfs/dbraw/zinc/02/32/99/452023299.db2.gz PJHSOYIUSLSIEU-QGZVFWFLSA-N 1 3 332.496 1.257 20 0 EDADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649345711 452025799 /nfs/dbraw/zinc/02/57/99/452025799.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 1 3 346.475 1.379 20 0 EDADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649345711 452025804 /nfs/dbraw/zinc/02/58/04/452025804.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 1 3 346.475 1.379 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000649352618 452036958 /nfs/dbraw/zinc/03/69/58/452036958.db2.gz ADGSJYPDLQQNQC-GOSISDBHSA-N 1 3 344.503 1.301 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649377094 452050591 /nfs/dbraw/zinc/05/05/91/452050591.db2.gz LHQBJSMTCJDSBO-NXHRZFHOSA-N 1 3 328.460 1.897 20 0 EDADHO C[N@@H+]1CCC[C@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610694 452166732 /nfs/dbraw/zinc/16/67/32/452166732.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO C[N@H+]1CCC[C@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610694 452166737 /nfs/dbraw/zinc/16/67/37/452166737.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 1 3 342.531 1.973 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCCC[NH+]1CCCCC1)CCO2 ZINC000645130762 452168323 /nfs/dbraw/zinc/16/83/23/452168323.db2.gz YVGPOXHJMUPBPV-UHFFFAOYSA-N 1 3 338.496 1.369 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000651992741 452210069 /nfs/dbraw/zinc/21/00/69/452210069.db2.gz BECWLVOCLFIWHK-MRXNPFEDSA-N 1 3 331.460 1.728 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000659425938 452268395 /nfs/dbraw/zinc/26/83/95/452268395.db2.gz SFMIJECXIUSLIV-RHSMWYFYSA-N 1 3 334.464 1.739 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000659434852 452281971 /nfs/dbraw/zinc/28/19/71/452281971.db2.gz CWJJUACMVMNOPB-WMZOPIPTSA-N 1 3 347.507 1.272 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659444636 452293715 /nfs/dbraw/zinc/29/37/15/452293715.db2.gz MPMMUPJRYHWIQP-UHFFFAOYSA-N 1 3 332.448 1.260 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457747 452310648 /nfs/dbraw/zinc/31/06/48/452310648.db2.gz KFFATODAFKORKV-QZTJIDSGSA-N 1 3 334.508 1.892 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659459880 452312977 /nfs/dbraw/zinc/31/29/77/452312977.db2.gz HDXJRJXAFBYYAU-KRWDZBQOSA-N 1 3 340.512 1.376 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638049160 452317205 /nfs/dbraw/zinc/31/72/05/452317205.db2.gz IYLMZIQDUHVMJF-KRWDZBQOSA-N 1 3 332.492 1.436 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000652136134 452329540 /nfs/dbraw/zinc/32/95/40/452329540.db2.gz GNFISQGEGDDTRW-KZNAEPCWSA-N 1 3 348.491 1.165 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000665762617 452338653 /nfs/dbraw/zinc/33/86/53/452338653.db2.gz KLRBAWJBGAEQBE-VYDXJSESSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000665762617 452338658 /nfs/dbraw/zinc/33/86/58/452338658.db2.gz KLRBAWJBGAEQBE-VYDXJSESSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000665762521 452339023 /nfs/dbraw/zinc/33/90/23/452339023.db2.gz HFOPNQRTJPTIAG-UXLLHSPISA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000665762521 452339030 /nfs/dbraw/zinc/33/90/30/452339030.db2.gz HFOPNQRTJPTIAG-UXLLHSPISA-N 1 3 340.512 1.467 20 0 EDADHO CC[NH+]1CCC(N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638058899 452347940 /nfs/dbraw/zinc/34/79/40/452347940.db2.gz CNRAXKMFNVNROO-GOSISDBHSA-N 1 3 332.492 1.388 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000638062991 452357440 /nfs/dbraw/zinc/35/74/40/452357440.db2.gz KWOSWTSCSKVRJC-SJLPKXTDSA-N 1 3 335.448 1.010 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000647624607 452361754 /nfs/dbraw/zinc/36/17/54/452361754.db2.gz HKQHKLHPGYDZAY-PKOBYXMFSA-N 1 3 337.508 1.699 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663654993 452394868 /nfs/dbraw/zinc/39/48/68/452394868.db2.gz MDTQPNIZRGVEHG-QAETUUGQSA-N 1 3 340.512 1.061 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079353 452395235 /nfs/dbraw/zinc/39/52/35/452395235.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 1 3 332.492 1.292 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079353 452395246 /nfs/dbraw/zinc/39/52/46/452395246.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 1 3 332.492 1.292 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079352 452396345 /nfs/dbraw/zinc/39/63/45/452396345.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 1 3 332.492 1.292 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079352 452396352 /nfs/dbraw/zinc/39/63/52/452396352.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 1 3 332.492 1.292 20 0 EDADHO C[C@H]1NCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000659567219 452420867 /nfs/dbraw/zinc/42/08/67/452420867.db2.gz SJDKWEHWNRQQOB-CVEARBPZSA-N 1 3 345.491 1.685 20 0 EDADHO C[C@H]1NCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@H]1C ZINC000659582170 452438148 /nfs/dbraw/zinc/43/81/48/452438148.db2.gz QFIFDXFTHFBKDB-DLTLXFJOSA-N 1 3 334.439 1.663 20 0 EDADHO CN1CCN(CCCCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000645478289 452449944 /nfs/dbraw/zinc/44/99/44/452449944.db2.gz DNAIRENDGSNANG-UHFFFAOYSA-N 1 3 347.507 1.170 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654411373 452464781 /nfs/dbraw/zinc/46/47/81/452464781.db2.gz GNJXXEKLIJDUHK-WOVMCDHWSA-N 1 3 348.491 1.766 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NCCN1CCC(OC)CC1 ZINC000652287837 452472306 /nfs/dbraw/zinc/47/23/06/452472306.db2.gz JUVNVELUPWMIFY-UHFFFAOYSA-N 1 3 334.464 1.316 20 0 EDADHO CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000654452814 452518201 /nfs/dbraw/zinc/51/82/01/452518201.db2.gz XTALQULWDZMQOC-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO Cn1cc(-c2cc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364040 452545615 /nfs/dbraw/zinc/54/56/15/452545615.db2.gz VWMSCAWNPMFBKR-ZTFGCOKTSA-N 1 3 345.447 1.936 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654514032 452589528 /nfs/dbraw/zinc/58/95/28/452589528.db2.gz UKOAOHUGDBUDKP-MRXNPFEDSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000654514032 452589541 /nfs/dbraw/zinc/58/95/41/452589541.db2.gz UKOAOHUGDBUDKP-MRXNPFEDSA-N 1 3 335.496 1.687 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000654517207 452593938 /nfs/dbraw/zinc/59/39/38/452593938.db2.gz KRYRBAYDPVGNCA-MAEOIBBWSA-N 1 3 345.491 1.937 20 0 EDADHO CN1C(=O)CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000643802164 452671676 /nfs/dbraw/zinc/67/16/76/452671676.db2.gz OBFCEUKUUDXSAA-QGZVFWFLSA-N 1 3 345.443 1.398 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](CN)C(F)(F)F)ccc1C[NH+](C)C ZINC000655957340 452735684 /nfs/dbraw/zinc/73/56/84/452735684.db2.gz VQUNXBXAWOILOD-LBPRGKRZSA-N 1 3 346.353 1.001 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)C[C@H]2N)cn1 ZINC000643846309 452737115 /nfs/dbraw/zinc/73/71/15/452737115.db2.gz PLECJVCMYVANGW-FGTMMUONSA-N 1 3 347.507 1.751 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655958103 452737361 /nfs/dbraw/zinc/73/73/61/452737361.db2.gz IDUVIXHQCSUMTA-IRXDYDNUSA-N 1 3 344.459 1.478 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164800 452765085 /nfs/dbraw/zinc/76/50/85/452765085.db2.gz FQCXGKBZBBPZTB-GOSISDBHSA-N 1 3 328.464 1.954 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652674899 452823728 /nfs/dbraw/zinc/82/37/28/452823728.db2.gz IRLCWABNCOVKBR-KRWDZBQOSA-N 1 3 346.475 1.013 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000648169625 452880053 /nfs/dbraw/zinc/88/00/53/452880053.db2.gz CKVCYWFYMXWNBO-SJORKVTESA-N 1 3 331.460 1.946 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCS[C@H]1C ZINC000645915859 452895958 /nfs/dbraw/zinc/89/59/58/452895958.db2.gz HHVUFHIEWMEVHF-XHSDSOJGSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCS[C@H]1C ZINC000645915859 452895968 /nfs/dbraw/zinc/89/59/68/452895968.db2.gz HHVUFHIEWMEVHF-XHSDSOJGSA-N 1 3 342.553 1.938 20 0 EDADHO COc1ccc(-c2nccc(NCC[N@H+](C)CCCN(C)C)n2)cc1 ZINC000664245907 452925486 /nfs/dbraw/zinc/92/54/86/452925486.db2.gz SSMXBVQJOIZDPF-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO COc1ccc(-c2nccc(NCC[N@@H+](C)CCCN(C)C)n2)cc1 ZINC000664245907 452925494 /nfs/dbraw/zinc/92/54/94/452925494.db2.gz SSMXBVQJOIZDPF-UHFFFAOYSA-N 1 3 343.475 1.870 20 0 EDADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCC4(CNC4)O3)C2)n1 ZINC000662261177 452991704 /nfs/dbraw/zinc/99/17/04/452991704.db2.gz TXXIXJKQBATIEX-CVEARBPZSA-N 1 3 344.459 1.562 20 0 EDADHO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CNC4)O3)C2)n1 ZINC000662261177 452991715 /nfs/dbraw/zinc/99/17/15/452991715.db2.gz TXXIXJKQBATIEX-CVEARBPZSA-N 1 3 344.459 1.562 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H]2CCC3(CNC3)O2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662281036 453005733 /nfs/dbraw/zinc/00/57/33/453005733.db2.gz HRGFMBHEIGITGJ-COXVUDFISA-N 1 3 337.414 1.821 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C(F)F)C3)CC2)CC1 ZINC000654917820 453033384 /nfs/dbraw/zinc/03/33/84/453033384.db2.gz FUARYDFKMIQDKJ-UHFFFAOYSA-N 1 3 329.435 1.906 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CO)CCC3)CC2)CC1 ZINC000654998007 453116860 /nfs/dbraw/zinc/11/68/60/453116860.db2.gz WQEMUZWYFBGHNV-UHFFFAOYSA-N 1 3 337.508 1.462 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)CC1 ZINC000655019486 453141905 /nfs/dbraw/zinc/14/19/05/453141905.db2.gz XCCZVZMGERNMIO-GUDVDZBRSA-N 1 3 349.519 1.866 20 0 EDADHO [NH3+][C@H](Cc1cn(CCCN2CCSCC2)nn1)Cc1ccccc1 ZINC000656450097 453192795 /nfs/dbraw/zinc/19/27/95/453192795.db2.gz LSKAPWJMAGSKIO-KRWDZBQOSA-N 1 3 345.516 1.830 20 0 EDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334756 453223742 /nfs/dbraw/zinc/22/37/42/453223742.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 1 3 349.519 1.256 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334756 453223747 /nfs/dbraw/zinc/22/37/47/453223747.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 1 3 349.519 1.256 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000646214762 453227133 /nfs/dbraw/zinc/22/71/33/453227133.db2.gz IZNKMLBCUKLETK-GJZGRUSLSA-N 1 3 336.480 1.894 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666978307 453299437 /nfs/dbraw/zinc/29/94/37/453299437.db2.gz WJVBGVXJAPNMOI-IRXDYDNUSA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666978307 453299442 /nfs/dbraw/zinc/29/94/42/453299442.db2.gz WJVBGVXJAPNMOI-IRXDYDNUSA-N 1 3 338.496 1.364 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594824 453321734 /nfs/dbraw/zinc/32/17/34/453321734.db2.gz SAVDFNXACWCVPT-FRQCXROJSA-N 1 3 337.508 1.757 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653158758 453351278 /nfs/dbraw/zinc/35/12/78/453351278.db2.gz KQLKFPRZBNWDIY-ROUUACIJSA-N 1 3 348.491 1.227 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000667045981 453360650 /nfs/dbraw/zinc/36/06/50/453360650.db2.gz KSFIIKBJMUAFQO-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000655247230 453370987 /nfs/dbraw/zinc/37/09/87/453370987.db2.gz XUTYRXHVZSAJTE-UWUNEBHHSA-N 1 3 344.503 1.899 20 0 EDADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)N1CCCCCC1 ZINC000653185120 453375291 /nfs/dbraw/zinc/37/52/91/453375291.db2.gz WSJLGAFYKPQJGG-VSZNYVQBSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381333 /nfs/dbraw/zinc/38/13/33/453381333.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381337 /nfs/dbraw/zinc/38/13/37/453381337.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO COCc1cnc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000667070112 453386474 /nfs/dbraw/zinc/38/64/74/453386474.db2.gz WGEWORIVQKLDTR-LBPRGKRZSA-N 1 3 343.497 1.683 20 0 EDADHO COCc1cnc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000667070112 453386479 /nfs/dbraw/zinc/38/64/79/453386479.db2.gz WGEWORIVQKLDTR-LBPRGKRZSA-N 1 3 343.497 1.683 20 0 EDADHO O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1CN1CCCC1 ZINC000662697383 453418537 /nfs/dbraw/zinc/41/85/37/453418537.db2.gz FZAIZQHIXIBAOC-HOTGVXAUSA-N 1 3 346.479 1.293 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000662701222 453422564 /nfs/dbraw/zinc/42/25/64/453422564.db2.gz OOQNWIZEHITZMP-SQNIBIBYSA-N 1 3 331.460 1.612 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000664874709 453457568 /nfs/dbraw/zinc/45/75/68/453457568.db2.gz OXFPCANCXLUPGZ-XGUBFFRZSA-N 1 3 338.452 1.025 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662823793 453552346 /nfs/dbraw/zinc/55/23/46/453552346.db2.gz XDRVMHCOJPMASP-HNNXBMFYSA-N 1 3 334.468 1.007 20 0 EDADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835843 453562062 /nfs/dbraw/zinc/56/20/62/453562062.db2.gz SCAYKHACRJWIAT-ZACQAIPSSA-N 1 3 331.464 1.554 20 0 EDADHO Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)n(C2CCN(C)CC2)n1 ZINC000658998580 453573404 /nfs/dbraw/zinc/57/34/04/453573404.db2.gz FXISIDGQUABSNH-UHFFFAOYSA-N 1 3 332.452 1.332 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899818 453594297 /nfs/dbraw/zinc/59/42/97/453594297.db2.gz HDXOLMGCNSZIAR-PKOBYXMFSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899818 453594299 /nfs/dbraw/zinc/59/42/99/453594299.db2.gz HDXOLMGCNSZIAR-PKOBYXMFSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899818 453594303 /nfs/dbraw/zinc/59/43/03/453594303.db2.gz HDXOLMGCNSZIAR-PKOBYXMFSA-N 1 3 344.503 1.622 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660833950 453595581 /nfs/dbraw/zinc/59/55/81/453595581.db2.gz JSFBCTNCSLXRCD-HOCLYGCPSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660837092 453598543 /nfs/dbraw/zinc/59/85/43/453598543.db2.gz IFROJTYPNGUFDL-WBVHZDCISA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660837092 453598544 /nfs/dbraw/zinc/59/85/44/453598544.db2.gz IFROJTYPNGUFDL-WBVHZDCISA-N 1 3 338.496 1.269 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236162 453619082 /nfs/dbraw/zinc/61/90/82/453619082.db2.gz IRKNOFHSNLBEAD-CMPLNLGQSA-N 1 3 341.253 1.291 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236162 453619084 /nfs/dbraw/zinc/61/90/84/453619084.db2.gz IRKNOFHSNLBEAD-CMPLNLGQSA-N 1 3 341.253 1.291 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000659102253 453634383 /nfs/dbraw/zinc/63/43/83/453634383.db2.gz BOGAOOPMWCAXJM-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCO1 ZINC000665355175 453663467 /nfs/dbraw/zinc/66/34/67/453663467.db2.gz LUNGOWFZRPSHAF-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1noc2ccccc12 ZINC000665441677 453695142 /nfs/dbraw/zinc/69/51/42/453695142.db2.gz GZNDUKAKSVQGHB-UHFFFAOYSA-N 1 3 347.463 1.505 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182836 453723677 /nfs/dbraw/zinc/72/36/77/453723677.db2.gz KYRIQXKEOUSZPQ-AWEZNQCLSA-N 1 3 325.478 1.880 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNCc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182836 453723679 /nfs/dbraw/zinc/72/36/79/453723679.db2.gz KYRIQXKEOUSZPQ-AWEZNQCLSA-N 1 3 325.478 1.880 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000665551462 453743409 /nfs/dbraw/zinc/74/34/09/453743409.db2.gz HYEZSAQFUARWCD-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO COCC(C)(C)C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514153 453813811 /nfs/dbraw/zinc/81/38/11/453813811.db2.gz XNQOVPYRYIPQAA-HNNXBMFYSA-N 1 3 335.496 1.671 20 0 EDADHO COCC(C)(C)C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514153 453813812 /nfs/dbraw/zinc/81/38/12/453813812.db2.gz XNQOVPYRYIPQAA-HNNXBMFYSA-N 1 3 335.496 1.671 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000672699750 486768662 /nfs/dbraw/zinc/76/86/62/486768662.db2.gz FLLFCNXVAAFMAC-LSDHHAIUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000680914551 486891968 /nfs/dbraw/zinc/89/19/68/486891968.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000680914551 486891971 /nfs/dbraw/zinc/89/19/71/486891971.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO Cc1cccc(CCCNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000673139514 486922893 /nfs/dbraw/zinc/92/28/93/486922893.db2.gz BQVGFYPWKKMAMB-UHFFFAOYSA-N 1 3 335.496 1.457 20 0 EDADHO O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(c2ccncc2)CC1 ZINC000684416688 487054592 /nfs/dbraw/zinc/05/45/92/487054592.db2.gz LAWSUCQSJYVXST-UHFFFAOYSA-N 1 3 343.475 1.930 20 0 EDADHO C[C@@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670702 487086322 /nfs/dbraw/zinc/08/63/22/487086322.db2.gz NKXWOBORDSKRHW-OXQOHEQNSA-N 1 3 345.487 1.470 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)CCCC[NH+](C)C)c1 ZINC000682279885 487335989 /nfs/dbraw/zinc/33/59/89/487335989.db2.gz LAEPVKQKLBKCBR-UHFFFAOYSA-N 1 3 334.464 1.487 20 0 EDADHO C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C1CC[NH+](C)CC1 ZINC000675803014 487446149 /nfs/dbraw/zinc/44/61/49/487446149.db2.gz LVQXBUJPVPIZGE-DJJJIMSYSA-N 1 3 344.459 1.561 20 0 EDADHO NC1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000669519623 485485543 /nfs/dbraw/zinc/48/55/43/485485543.db2.gz KQZHXIYHCLATGN-ZWKOTPCHSA-N 1 3 327.472 1.721 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528945 485503855 /nfs/dbraw/zinc/50/38/55/485503855.db2.gz VICJIQMCGCKGHS-CVYDXHPNSA-N 1 3 334.508 1.890 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000669570403 485589606 /nfs/dbraw/zinc/58/96/06/485589606.db2.gz GMPPMFOKTHLZST-ROUUACIJSA-N 1 3 346.475 1.268 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669584184 485633309 /nfs/dbraw/zinc/63/33/09/485633309.db2.gz YWAXCAZZPVHRRO-NHIYQJMISA-N 1 3 338.452 1.466 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000669132482 485720982 /nfs/dbraw/zinc/72/09/82/485720982.db2.gz IGOOQJIPFMQJIQ-SJLPKXTDSA-N 1 3 348.491 1.896 20 0 EDADHO c1c(CNCC2CC[NH+](C3CCOCC3)CC2)nc2ncccn12 ZINC000668439538 485752890 /nfs/dbraw/zinc/75/28/90/485752890.db2.gz APTAFAHDMLMMOV-UHFFFAOYSA-N 1 3 329.448 1.710 20 0 EDADHO CN(C(=O)CC1([NH3+])CCC1)C1CCN(CCc2ccccn2)CC1 ZINC000237286370 485973137 /nfs/dbraw/zinc/97/31/37/485973137.db2.gz GUTGJTAPFAYBSB-UHFFFAOYSA-N 1 3 330.476 1.818 20 0 EDADHO O=C(NC[C@@H]1CCCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000669389696 486025943 /nfs/dbraw/zinc/02/59/43/486025943.db2.gz WTCNQFPEYIUMSQ-HNNXBMFYSA-N 1 3 340.537 1.789 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000669420472 486141382 /nfs/dbraw/zinc/14/13/82/486141382.db2.gz MSBZZMUUCDXOFU-ROUUACIJSA-N 1 3 330.476 1.889 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000683913535 491013234 /nfs/dbraw/zinc/01/32/34/491013234.db2.gz LVOISHZAZRLXKS-HXUWFJFHSA-N 1 3 345.487 1.811 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)N1CCN(C)CC1 ZINC000174604530 529010097 /nfs/dbraw/zinc/01/00/97/529010097.db2.gz LVBPVUPBQUWQDO-BDXSIMOUSA-N 1 3 338.540 1.636 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000248784372 534953614 /nfs/dbraw/zinc/95/36/14/534953614.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000248784372 534953616 /nfs/dbraw/zinc/95/36/16/534953616.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000268492573 535163596 /nfs/dbraw/zinc/16/35/96/535163596.db2.gz RVMGRBAZUJCZQV-UHFFFAOYSA-N 1 3 333.476 1.713 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000262583970 535203666 /nfs/dbraw/zinc/20/36/66/535203666.db2.gz SKCBDBULUATFIF-QGZVFWFLSA-N 1 3 344.503 1.946 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccnc1 ZINC000263955313 535593846 /nfs/dbraw/zinc/59/38/46/535593846.db2.gz MLRAPPQXGLIULR-INIZCTEOSA-N 1 3 334.464 1.335 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cccnc1 ZINC000263955313 535593855 /nfs/dbraw/zinc/59/38/55/535593855.db2.gz MLRAPPQXGLIULR-INIZCTEOSA-N 1 3 334.464 1.335 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)C1CCOCC1 ZINC000261860584 535610422 /nfs/dbraw/zinc/61/04/22/535610422.db2.gz SEIPYSMBYIFQPQ-SFHVURJKSA-N 1 3 333.476 1.899 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000236951680 535714993 /nfs/dbraw/zinc/71/49/93/535714993.db2.gz PJJVJMZWXYCUCZ-APWZRJJASA-N 1 3 344.503 1.091 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@]3(C)CCC[NH2+]C3)ccc2oc1=O ZINC000236991502 535933444 /nfs/dbraw/zinc/93/34/44/535933444.db2.gz IYURMWGHEWWSJS-GOSISDBHSA-N 1 3 346.431 1.484 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(F)F ZINC000345703558 536433814 /nfs/dbraw/zinc/43/38/14/536433814.db2.gz DFWAMOMSAOXDIL-GJZGRUSLSA-N 1 3 325.403 1.949 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(F)F ZINC000345703558 536433817 /nfs/dbraw/zinc/43/38/17/536433817.db2.gz DFWAMOMSAOXDIL-GJZGRUSLSA-N 1 3 325.403 1.949 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)N(C)C1 ZINC000347766557 536774481 /nfs/dbraw/zinc/77/44/81/536774481.db2.gz CAIYNQNBPVEBIA-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727081864 578517423 /nfs/dbraw/zinc/51/74/23/578517423.db2.gz ICFVPDWXARYQJQ-HNNXBMFYSA-N 1 3 344.569 1.491 20 0 EDADHO CN(C)CCNC(=S)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000728452592 578547794 /nfs/dbraw/zinc/54/77/94/578547794.db2.gz PREHDYYYEIPVSG-UHFFFAOYSA-N 1 3 338.521 1.543 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734275677 578804365 /nfs/dbraw/zinc/80/43/65/578804365.db2.gz AZJCVMGQTTWGEF-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734275677 578804366 /nfs/dbraw/zinc/80/43/66/578804366.db2.gz AZJCVMGQTTWGEF-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=S)NCCN(C)C)[C@@H](C)C1 ZINC000734386761 578812628 /nfs/dbraw/zinc/81/26/28/578812628.db2.gz VEQGRKNYQMZBOK-GJZGRUSLSA-N 1 3 330.542 1.149 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=S)NCCN(C)C)[C@@H](C)C1 ZINC000734386761 578812629 /nfs/dbraw/zinc/81/26/29/578812629.db2.gz VEQGRKNYQMZBOK-GJZGRUSLSA-N 1 3 330.542 1.149 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3csc4cncn43)CC2)CC1 ZINC000746187019 579575439 /nfs/dbraw/zinc/57/54/39/579575439.db2.gz WODPJVMEALMSFT-UHFFFAOYSA-N 1 3 347.488 1.684 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556052 579648816 /nfs/dbraw/zinc/64/88/16/579648816.db2.gz MQBXDBMVBIWIRH-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556052 579648817 /nfs/dbraw/zinc/64/88/17/579648817.db2.gz MQBXDBMVBIWIRH-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000773002910 580325072 /nfs/dbraw/zinc/32/50/72/580325072.db2.gz AQNCOAPZESMZGR-DOTOQJQBSA-N 1 3 333.476 1.883 20 0 EDADHO O=C(NC1CCN(C[C@H]2CCCO2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000787349548 580693757 /nfs/dbraw/zinc/69/37/57/580693757.db2.gz OAHSICBSCVPDAK-GOSISDBHSA-N 1 3 335.492 1.620 20 0 EDADHO CN1CCN(CC[NH2+]CC2CCC3(CC2)OCCO3)CC1(C)C ZINC000799736392 581035687 /nfs/dbraw/zinc/03/56/87/581035687.db2.gz PZXMKHNFDMGCIN-UHFFFAOYSA-N 1 3 325.497 1.535 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000891816031 590634203 /nfs/dbraw/zinc/63/42/03/590634203.db2.gz JLRBZZFKADCJBM-MRXNPFEDSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000891816031 590634207 /nfs/dbraw/zinc/63/42/07/590634207.db2.gz JLRBZZFKADCJBM-MRXNPFEDSA-N 1 3 348.491 1.911 20 0 EDADHO COC1CCC(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000891832840 590641998 /nfs/dbraw/zinc/64/19/98/590641998.db2.gz DLMIJJFRDBWIAL-UHFFFAOYSA-N 1 3 325.497 1.581 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891833776 590645556 /nfs/dbraw/zinc/64/55/56/590645556.db2.gz LWOQTGDJMUXBJR-UHFFFAOYSA-N 1 3 346.431 1.423 20 0 EDADHO CSC1(CNC(=O)N2CCCCC[C@H]([NH3+])C2)CCN(C)CC1 ZINC000891904370 590680503 /nfs/dbraw/zinc/68/05/03/590680503.db2.gz AMKODILQDIFUOZ-AWEZNQCLSA-N 1 3 328.526 1.727 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000893418586 590858318 /nfs/dbraw/zinc/85/83/18/590858318.db2.gz YVUAVDKHLNZJPE-DOTOQJQBSA-N 1 3 342.553 1.797 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000892233753 590878871 /nfs/dbraw/zinc/87/88/71/590878871.db2.gz UTWGKRBNMQVFHA-OAHLLOKOSA-N 1 3 331.464 1.691 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892241365 590883225 /nfs/dbraw/zinc/88/32/25/590883225.db2.gz QEZAATWUTCYEMF-IRXDYDNUSA-N 1 3 329.448 1.049 20 0 EDADHO O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[C@H](N2CC=CC2)C1 ZINC000892343831 590971929 /nfs/dbraw/zinc/97/19/29/590971929.db2.gz SOSAHOSZDMASAW-KRWDZBQOSA-N 1 3 326.444 1.488 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)NCc1cc(N)ccn1)Cc1ccccc1 ZINC000891322905 591046390 /nfs/dbraw/zinc/04/63/90/591046390.db2.gz YUZAJENWMJLMPG-QGZVFWFLSA-N 1 3 327.432 1.636 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892566154 591074917 /nfs/dbraw/zinc/07/49/17/591074917.db2.gz XYOHCMLTJAVULT-MAEOIBBWSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000891514615 591103854 /nfs/dbraw/zinc/10/38/54/591103854.db2.gz VITCTKCFGKAMCM-GDBMZVCRSA-N 1 3 334.464 1.301 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CN1C1CC1 ZINC000891659337 591172173 /nfs/dbraw/zinc/17/21/73/591172173.db2.gz DTBOQEXZGOEGAU-PVAVHDDUSA-N 1 3 330.476 1.871 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[NH2+]CCC12CCC2 ZINC000892790608 591176653 /nfs/dbraw/zinc/17/66/53/591176653.db2.gz GCTMDVPTGOUGCZ-QGZVFWFLSA-N 1 3 328.460 1.629 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795303 591182309 /nfs/dbraw/zinc/18/23/09/591182309.db2.gz UQONPISHGJFEJX-HKUYNNGSSA-N 1 3 328.460 1.438 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795303 591182312 /nfs/dbraw/zinc/18/23/12/591182312.db2.gz UQONPISHGJFEJX-HKUYNNGSSA-N 1 3 328.460 1.438 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)[C@@H]1c1ccccc1 ZINC000891722357 591198711 /nfs/dbraw/zinc/19/87/11/591198711.db2.gz CLCBRPIFCBLLDF-FJIDUMEYSA-N 1 3 328.460 1.968 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccn1 ZINC000891725036 591200788 /nfs/dbraw/zinc/20/07/88/591200788.db2.gz DKBHMWSDZRJNNQ-QAPCUYQASA-N 1 3 347.463 1.106 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894174381 591217153 /nfs/dbraw/zinc/21/71/53/591217153.db2.gz SFJMPUKMICCIKQ-UONOGXRCSA-N 1 3 333.423 1.048 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000895666679 591246655 /nfs/dbraw/zinc/24/66/55/591246655.db2.gz QMWVDXNJTSJDLI-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC12CCCC2 ZINC000895666679 591246656 /nfs/dbraw/zinc/24/66/56/591246656.db2.gz QMWVDXNJTSJDLI-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692384 591250893 /nfs/dbraw/zinc/25/08/93/591250893.db2.gz QPIPFKJCIMWLRY-IRXDYDNUSA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@H+](CC1CCN(C)CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692384 591250894 /nfs/dbraw/zinc/25/08/94/591250894.db2.gz QPIPFKJCIMWLRY-IRXDYDNUSA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@@H+](CC1CCN(C)CC1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692384 591250897 /nfs/dbraw/zinc/25/08/97/591250897.db2.gz QPIPFKJCIMWLRY-IRXDYDNUSA-N 1 3 344.471 1.910 20 0 EDADHO O=CN1CCC([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC000894926443 591479512 /nfs/dbraw/zinc/47/95/12/591479512.db2.gz UUHLFGXFKBPWOV-UHFFFAOYSA-N 1 3 331.460 1.224 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710462 /nfs/dbraw/zinc/71/04/62/591710462.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 1 3 345.487 1.641 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710466 /nfs/dbraw/zinc/71/04/66/591710466.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 1 3 345.487 1.641 20 0 EDADHO COc1ccc([C@@H](NC(C)C)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000897909234 591718025 /nfs/dbraw/zinc/71/80/25/591718025.db2.gz SWUYCPPJASISIF-XDNAFOTISA-N 1 3 331.460 1.753 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339618 591719253 /nfs/dbraw/zinc/71/92/53/591719253.db2.gz UMPOGCBIHDGXNV-NCXUSEDFSA-N 1 3 334.460 1.535 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339618 591719257 /nfs/dbraw/zinc/71/92/57/591719257.db2.gz UMPOGCBIHDGXNV-NCXUSEDFSA-N 1 3 334.460 1.535 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000900012853 591862721 /nfs/dbraw/zinc/86/27/21/591862721.db2.gz DEULKTAANYWKEQ-UYAOXDASSA-N 1 3 347.503 1.815 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000900012853 591862723 /nfs/dbraw/zinc/86/27/23/591862723.db2.gz DEULKTAANYWKEQ-UYAOXDASSA-N 1 3 347.503 1.815 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)C1CN(C2CCOCC2)C1)C1CCCCC1 ZINC000900198387 591938117 /nfs/dbraw/zinc/93/81/17/591938117.db2.gz VOZLRVFUYLZDRP-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900174093 591938306 /nfs/dbraw/zinc/93/83/06/591938306.db2.gz HDQGNPVTBKSFPJ-SFHVURJKSA-N 1 3 335.448 1.542 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900174093 591938307 /nfs/dbraw/zinc/93/83/07/591938307.db2.gz HDQGNPVTBKSFPJ-SFHVURJKSA-N 1 3 335.448 1.542 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(Cn2cc(OC)c(=O)cc2C)C1 ZINC000902172152 591938556 /nfs/dbraw/zinc/93/85/56/591938556.db2.gz VRZDYKQAWMKHNO-MRXNPFEDSA-N 1 3 337.464 1.556 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900214572 591945143 /nfs/dbraw/zinc/94/51/43/591945143.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900214572 591945144 /nfs/dbraw/zinc/94/51/44/591945144.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 1 3 325.497 1.604 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902347343 591978056 /nfs/dbraw/zinc/97/80/56/591978056.db2.gz NYYITOYCEBMCCH-GOSISDBHSA-N 1 3 346.519 1.846 20 0 EDADHO C[NH+]1CCC2(CCN2C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910401 591979565 /nfs/dbraw/zinc/97/95/65/591979565.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 1 3 329.488 1.794 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358173 591986321 /nfs/dbraw/zinc/98/63/21/591986321.db2.gz BLIFBPURCHOGKV-HUUCEWRRSA-N 1 3 332.496 1.855 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400231 591990671 /nfs/dbraw/zinc/99/06/71/591990671.db2.gz YXOKHBQWCLSERR-QZTJIDSGSA-N 1 3 332.492 1.650 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cnn(CCF)c2)CC[NH2+]CC1 ZINC000902442235 591996559 /nfs/dbraw/zinc/99/65/59/591996559.db2.gz AJEYICUHHZQUCJ-ZDUSSCGKSA-N 1 3 326.416 1.264 20 0 EDADHO N=C(NOCc1cc(Br)no1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807273 592063403 /nfs/dbraw/zinc/06/34/03/592063403.db2.gz DCUHJKZXXZKSKH-WCBMZHEXSA-N 1 3 345.197 1.299 20 0 EDADHO N=C(NOCc1cc(Br)no1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807273 592063405 /nfs/dbraw/zinc/06/34/05/592063405.db2.gz DCUHJKZXXZKSKH-WCBMZHEXSA-N 1 3 345.197 1.299 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599169 592064528 /nfs/dbraw/zinc/06/45/28/592064528.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CC1 ZINC000900599169 592064529 /nfs/dbraw/zinc/06/45/29/592064529.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000900626606 592075381 /nfs/dbraw/zinc/07/53/81/592075381.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000900626606 592075383 /nfs/dbraw/zinc/07/53/83/592075383.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900656315 592082423 /nfs/dbraw/zinc/08/24/23/592082423.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 1 3 339.524 1.850 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900656315 592082426 /nfs/dbraw/zinc/08/24/26/592082426.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 1 3 339.524 1.850 20 0 EDADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903091711 592121395 /nfs/dbraw/zinc/12/13/95/592121395.db2.gz ZBVPWTIPFGEQOY-UXHICEINSA-N 1 3 346.471 1.681 20 0 EDADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903222320 592141472 /nfs/dbraw/zinc/14/14/72/592141472.db2.gz XYWTVGRTZINJNX-YEEMPNMZSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903222320 592141474 /nfs/dbraw/zinc/14/14/74/592141474.db2.gz XYWTVGRTZINJNX-YEEMPNMZSA-N 1 3 333.476 1.560 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@H](C)C1 ZINC000903240734 592142817 /nfs/dbraw/zinc/14/28/17/592142817.db2.gz AWYVZVXPOHSOBA-ZYHUDNBSSA-N 1 3 348.369 1.331 20 0 EDADHO C[C@H](CCNC(=O)C[C@@]1(O)CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000900916999 592171044 /nfs/dbraw/zinc/17/10/44/592171044.db2.gz AMQVGPFPQYOYQE-XLIONFOSSA-N 1 3 347.503 1.860 20 0 EDADHO C[C@H](CCNC(=O)C[C@@]1(O)CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000900916999 592171046 /nfs/dbraw/zinc/17/10/46/592171046.db2.gz AMQVGPFPQYOYQE-XLIONFOSSA-N 1 3 347.503 1.860 20 0 EDADHO C(c1nc(C2CCC2)no1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506442 592182467 /nfs/dbraw/zinc/18/24/67/592182467.db2.gz UUSWTPVPEHTCNO-IYBDPMFKSA-N 1 3 331.464 1.738 20 0 EDADHO C(c1nc(C2CCC2)no1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506442 592182469 /nfs/dbraw/zinc/18/24/69/592182469.db2.gz UUSWTPVPEHTCNO-IYBDPMFKSA-N 1 3 331.464 1.738 20 0 EDADHO COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496847 592188471 /nfs/dbraw/zinc/18/84/71/592188471.db2.gz HCPWTFKCJFBEBJ-CHWSQXEVSA-N 1 3 339.867 1.882 20 0 EDADHO Cc1ccccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903512703 592191720 /nfs/dbraw/zinc/19/17/20/592191720.db2.gz DTCVONLDMSVLHH-HDICACEKSA-N 1 3 342.487 1.834 20 0 EDADHO Cc1ccccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903512703 592191722 /nfs/dbraw/zinc/19/17/22/592191722.db2.gz DTCVONLDMSVLHH-HDICACEKSA-N 1 3 342.487 1.834 20 0 EDADHO Cc1cccc(NC(=O)CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903522564 592196740 /nfs/dbraw/zinc/19/67/40/592196740.db2.gz RSSQQXGMCWVNIO-APWZRJJASA-N 1 3 344.459 1.170 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000901025817 592202989 /nfs/dbraw/zinc/20/29/89/592202989.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000901025817 592202991 /nfs/dbraw/zinc/20/29/91/592202991.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 1 3 345.487 1.612 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000906647739 592233047 /nfs/dbraw/zinc/23/30/47/592233047.db2.gz AJHRWFGWLLEPJN-MRXNPFEDSA-N 1 3 344.459 1.516 20 0 EDADHO CCn1ccnc(N2CCC([NH2+]C[C@@H](N)CCC(C)(C)C)CC2)c1=O ZINC000904368102 592239371 /nfs/dbraw/zinc/23/93/71/592239371.db2.gz HYXGAQXEZOQFFF-HNNXBMFYSA-N 1 3 349.523 1.975 20 0 EDADHO [NH3+][C@@H]1CN(Cc2ccc(N3CCNCC3)o2)C[C@H]1c1cccc(F)c1 ZINC000904374045 592241413 /nfs/dbraw/zinc/24/14/13/592241413.db2.gz YVMQAWFZFHWLIG-ZWKOTPCHSA-N 1 3 344.434 1.755 20 0 EDADHO [NH3+]CCN1CCC(N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000904385762 592248315 /nfs/dbraw/zinc/24/83/15/592248315.db2.gz DOMQHKLONGRNNO-OAHLLOKOSA-N 1 3 342.281 1.495 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)c2)CC1 ZINC000904421864 592258461 /nfs/dbraw/zinc/25/84/61/592258461.db2.gz VVGIDKXRDSVOOG-KOMQPUFPSA-N 1 3 331.464 1.687 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000904529384 592280298 /nfs/dbraw/zinc/28/02/98/592280298.db2.gz HAXOWFFOFFFZFG-AWEZNQCLSA-N 1 3 334.468 1.804 20 0 EDADHO O=C(C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903718319 592280647 /nfs/dbraw/zinc/28/06/47/592280647.db2.gz KQEHBHBPZIRQNU-GOSISDBHSA-N 1 3 349.519 1.870 20 0 EDADHO O=C(NC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903718332 592280902 /nfs/dbraw/zinc/28/09/02/592280902.db2.gz KUIFBNXLLGUTLA-UYAOXDASSA-N 1 3 343.471 1.649 20 0 EDADHO CCCCNC(=O)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903724425 592283786 /nfs/dbraw/zinc/28/37/86/592283786.db2.gz NNSQJVGLFFLOFG-QGZVFWFLSA-N 1 3 337.508 1.773 20 0 EDADHO COc1cc2c(cc1OC)CCN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727876 592285921 /nfs/dbraw/zinc/28/59/21/592285921.db2.gz YOPZTBKLCQBNOI-YLJYHZDGSA-N 1 3 346.471 1.873 20 0 EDADHO Cn1cc(CN2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753359 592296445 /nfs/dbraw/zinc/29/64/45/592296445.db2.gz UIQKSEHVMZBDJT-GOSISDBHSA-N 1 3 347.507 1.087 20 0 EDADHO Cc1ccc(N(C)C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739157 592300197 /nfs/dbraw/zinc/30/01/97/592300197.db2.gz DDESWLBGJUSAKK-PKOBYXMFSA-N 1 3 345.491 1.454 20 0 EDADHO c1cnnc(NC2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903740318 592303288 /nfs/dbraw/zinc/30/32/88/592303288.db2.gz GJDVGKNBMKBVQX-MRXNPFEDSA-N 1 3 331.464 1.512 20 0 EDADHO CC(=O)N(C[C@H]1CCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755276 592314109 /nfs/dbraw/zinc/31/41/09/592314109.db2.gz DQNAWZJTAYHXOZ-MSOLQXFVSA-N 1 3 335.492 1.620 20 0 EDADHO COc1ccc([C@@H]2CNCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781861 592321347 /nfs/dbraw/zinc/32/13/47/592321347.db2.gz CAKKQQFXQMVORR-FHWLQOOXSA-N 1 3 331.460 1.410 20 0 EDADHO NCC1([C@@H]2CCCC[N@@H+]2C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810557 592331581 /nfs/dbraw/zinc/33/15/81/592331581.db2.gz DWJSXEDVUROECN-ULQDDVLXSA-N 1 3 326.481 1.526 20 0 EDADHO NCC1([C@@H]2CCCC[N@H+]2C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810557 592331585 /nfs/dbraw/zinc/33/15/85/592331585.db2.gz DWJSXEDVUROECN-ULQDDVLXSA-N 1 3 326.481 1.526 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000908177321 592361308 /nfs/dbraw/zinc/36/13/08/592361308.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000908177321 592361311 /nfs/dbraw/zinc/36/13/11/592361311.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CCCCNC(=O)C1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903884274 592362468 /nfs/dbraw/zinc/36/24/68/592362468.db2.gz WFNLBWZUSPIXLR-INIZCTEOSA-N 1 3 349.523 1.474 20 0 EDADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000903914712 592364453 /nfs/dbraw/zinc/36/44/53/592364453.db2.gz VHDVAWVAAIEJQP-HNSVSWJLSA-N 1 3 341.463 1.165 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCNCc3c(C)cccc32)cnn1C ZINC000903919360 592376779 /nfs/dbraw/zinc/37/67/79/592376779.db2.gz NJEDNBWLOOSECM-MRXNPFEDSA-N 1 3 327.476 1.764 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2)CC1 ZINC000905050205 592379495 /nfs/dbraw/zinc/37/94/95/592379495.db2.gz TYCBTLZWJXRLQZ-GOSISDBHSA-N 1 3 341.446 1.930 20 0 EDADHO C[C@](O)(C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(F)F ZINC000905079779 592388488 /nfs/dbraw/zinc/38/84/88/592388488.db2.gz IWOFTZHWCCIOPO-INIZCTEOSA-N 1 3 328.407 1.199 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)CC1(O)CCCC1 ZINC000905075708 592404647 /nfs/dbraw/zinc/40/46/47/592404647.db2.gz KNJFSWXJLZPKBL-KRWDZBQOSA-N 1 3 336.476 1.773 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)ccn1 ZINC000904098029 592425060 /nfs/dbraw/zinc/42/50/60/592425060.db2.gz MHGKKGZDWUKEJF-IPYPFGDCSA-N 1 3 329.404 1.395 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NCCN1CCCCC1)c1cccnc1 ZINC000905151423 592440241 /nfs/dbraw/zinc/44/02/41/592440241.db2.gz LBOVGTUNYKLRPK-KRWDZBQOSA-N 1 3 333.480 1.860 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000908493086 592508604 /nfs/dbraw/zinc/50/86/04/592508604.db2.gz MBJDJNLJYAJHQG-UHFFFAOYSA-N 1 3 347.507 1.829 20 0 EDADHO CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500975 592545703 /nfs/dbraw/zinc/54/57/03/592545703.db2.gz DGHQDFOQXYKBOM-PSBWJHGTSA-N 1 3 346.475 1.480 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501866 592546226 /nfs/dbraw/zinc/54/62/26/592546226.db2.gz HSACCUZRVJSCSJ-GFEQUFNTSA-N 1 3 336.451 1.928 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C(C)C)N2CCCCC2)CC1 ZINC000908593545 592547447 /nfs/dbraw/zinc/54/74/47/592547447.db2.gz CLOLJTKZTCMVNF-QGZVFWFLSA-N 1 3 339.524 1.848 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905904370 592675020 /nfs/dbraw/zinc/67/50/20/592675020.db2.gz BKUWXDSIXZBGOZ-QGZVFWFLSA-N 1 3 327.513 1.050 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000909914297 592710788 /nfs/dbraw/zinc/71/07/88/592710788.db2.gz MCYUPDPIGPXXAK-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000909914297 592710790 /nfs/dbraw/zinc/71/07/90/592710790.db2.gz MCYUPDPIGPXXAK-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000911635673 592972106 /nfs/dbraw/zinc/97/21/06/592972106.db2.gz KRJNQAFIDKMIMI-IBGZPJMESA-N 1 3 331.460 1.226 20 0 EDADHO O=C(c1cccc2c1OCCNC2)N1CCC([NH2+]CC2CC2)CC1 ZINC000911839744 593020914 /nfs/dbraw/zinc/02/09/14/593020914.db2.gz BFGXMGATKPOUAU-UHFFFAOYSA-N 1 3 329.444 1.773 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCNC2=O)cc1 ZINC000812900448 593512321 /nfs/dbraw/zinc/51/23/21/593512321.db2.gz IWORPRAMZCELNZ-MAUKXSAKSA-N 1 3 346.475 1.714 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000817897149 593646671 /nfs/dbraw/zinc/64/66/71/593646671.db2.gz GHQTXVKFOJNPOD-IPMKNSEASA-N 1 3 345.487 1.782 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(F)cc2F)C1 ZINC000819005243 593733776 /nfs/dbraw/zinc/73/37/76/593733776.db2.gz ZHAOIVFCLSZQAP-LRDDRELGSA-N 1 3 341.402 1.175 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H](O)c2ccccc2)(N2CCOCC2)CC1 ZINC000819366754 593752083 /nfs/dbraw/zinc/75/20/83/593752083.db2.gz ULSYUPFJPPGAHI-GOSISDBHSA-N 1 3 333.476 1.106 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819387539 593753125 /nfs/dbraw/zinc/75/31/25/593753125.db2.gz AIWHYBCWQKDDBR-KRWDZBQOSA-N 1 3 327.419 1.614 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809463 593894932 /nfs/dbraw/zinc/89/49/32/593894932.db2.gz BFFRBLHYJYOXAT-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827939811 594307217 /nfs/dbraw/zinc/30/72/17/594307217.db2.gz ACKCCGOZIVFUJM-CZUORRHYSA-N 1 3 325.453 1.778 20 0 EDADHO CCO[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)C[NH+](C)C ZINC000831743937 594698491 /nfs/dbraw/zinc/69/84/91/594698491.db2.gz MCSUKVLCRFLRRB-GOSISDBHSA-N 1 3 342.443 1.944 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841018657 594840340 /nfs/dbraw/zinc/84/03/40/594840340.db2.gz ZWPPZWUMJXGIOQ-UHFFFAOYSA-N 1 3 331.464 1.702 20 0 EDADHO CO[C@H](C)c1noc(CN2CCCN(CCCCCC[NH3+])CC2)n1 ZINC000846220046 595177252 /nfs/dbraw/zinc/17/72/52/595177252.db2.gz JZURMMCFNHAVEU-OAHLLOKOSA-N 1 3 339.484 1.804 20 0 EDADHO CC[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000844172192 595290927 /nfs/dbraw/zinc/29/09/27/595290927.db2.gz QYAWQLCJJIGJQF-OALUTQOASA-N 1 3 345.487 1.708 20 0 EDADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844220494 595305758 /nfs/dbraw/zinc/30/57/58/595305758.db2.gz FSIQASRMKTWWEY-LJQANCHMSA-N 1 3 348.491 1.815 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000848024888 595306156 /nfs/dbraw/zinc/30/61/56/595306156.db2.gz KRHXWLOIWOEDFE-IXDOHACOSA-N 1 3 348.443 1.500 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000847318150 595394964 /nfs/dbraw/zinc/39/49/64/595394964.db2.gz BJKNYIGQHLKEBR-UAGQMJEPSA-N 1 3 338.496 1.269 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901470 595410765 /nfs/dbraw/zinc/41/07/65/595410765.db2.gz FSGDSGRDHJAFEJ-KSZLIROESA-N 1 3 341.459 1.986 20 0 EDADHO CC(C)NC(=O)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849062983 595477029 /nfs/dbraw/zinc/47/70/29/595477029.db2.gz JQDYKHPRPFYLHS-UHFFFAOYSA-N 1 3 345.491 1.680 20 0 EDADHO Cc1noc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849072820 595478218 /nfs/dbraw/zinc/47/82/18/595478218.db2.gz JZGKOYBXVNZTFL-UHFFFAOYSA-N 1 3 342.447 1.699 20 0 EDADHO CO[C@]1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCOC1 ZINC000849085401 595479852 /nfs/dbraw/zinc/47/98/52/595479852.db2.gz JDODPJWZKSDKOJ-IBGZPJMESA-N 1 3 346.475 1.570 20 0 EDADHO CN1CCN(CCCNC2=[NH+]CCCN2C)[C@@H](c2ccccc2)C1 ZINC000849110551 595483643 /nfs/dbraw/zinc/48/36/43/595483643.db2.gz IPVYVXWVHIKNNB-GOSISDBHSA-N 1 3 329.492 1.646 20 0 EDADHO O=C(C[C@H]1NCc2ccccc21)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000852858226 595580042 /nfs/dbraw/zinc/58/00/42/595580042.db2.gz VIKOXXIVMALZPB-PKOBYXMFSA-N 1 3 343.471 1.981 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852858280 595580280 /nfs/dbraw/zinc/58/02/80/595580280.db2.gz WUKTWTQECWADQZ-WMLDXEAASA-N 1 3 344.459 1.781 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852858280 595580283 /nfs/dbraw/zinc/58/02/83/595580283.db2.gz WUKTWTQECWADQZ-WMLDXEAASA-N 1 3 344.459 1.781 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@H](CN)C1)Cc1ccccc1 ZINC000852859072 595581214 /nfs/dbraw/zinc/58/12/14/595581214.db2.gz NUPUNHQCNDHECT-CVEARBPZSA-N 1 3 332.448 1.159 20 0 EDADHO NC[C@@H]1CC(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)=NO1 ZINC000852861994 595582855 /nfs/dbraw/zinc/58/28/55/595582855.db2.gz PIEDKBSGMJSGRP-INIZCTEOSA-N 1 3 330.432 1.757 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852865196 595585027 /nfs/dbraw/zinc/58/50/27/595585027.db2.gz UPBFYDYTOONEBE-QGZVFWFLSA-N 1 3 344.459 1.461 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852865196 595585029 /nfs/dbraw/zinc/58/50/29/595585029.db2.gz UPBFYDYTOONEBE-QGZVFWFLSA-N 1 3 344.459 1.461 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855346287 595680364 /nfs/dbraw/zinc/68/03/64/595680364.db2.gz VJOBKINRWCGGOB-WMLDXEAASA-N 1 3 339.455 1.637 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000855346287 595680366 /nfs/dbraw/zinc/68/03/66/595680366.db2.gz VJOBKINRWCGGOB-WMLDXEAASA-N 1 3 339.455 1.637 20 0 EDADHO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)c1Cl ZINC000855345681 595681037 /nfs/dbraw/zinc/68/10/37/595681037.db2.gz GBELHOPVNCXRJI-LBPRGKRZSA-N 1 3 343.903 1.542 20 0 EDADHO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)c1Cl ZINC000855345681 595681039 /nfs/dbraw/zinc/68/10/39/595681039.db2.gz GBELHOPVNCXRJI-LBPRGKRZSA-N 1 3 343.903 1.542 20 0 EDADHO CS[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000853793585 595882511 /nfs/dbraw/zinc/88/25/11/595882511.db2.gz DHXWGSLCTNEYRG-ZNMIVQPWSA-N 1 3 330.542 1.842 20 0 EDADHO CS[C@H]1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000853793585 595882515 /nfs/dbraw/zinc/88/25/15/595882515.db2.gz DHXWGSLCTNEYRG-ZNMIVQPWSA-N 1 3 330.542 1.842 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000861633574 596052847 /nfs/dbraw/zinc/05/28/47/596052847.db2.gz SSNWVAYEAHAFBL-CQSZACIVSA-N 1 3 334.464 1.648 20 0 EDADHO CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000852744745 596237331 /nfs/dbraw/zinc/23/73/31/596237331.db2.gz IKCMOBXMYDEXOZ-DLBZAZTESA-N 1 3 337.508 1.916 20 0 EDADHO CCCCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000852744745 596237332 /nfs/dbraw/zinc/23/73/32/596237332.db2.gz IKCMOBXMYDEXOZ-DLBZAZTESA-N 1 3 337.508 1.916 20 0 EDADHO CC1(C)CCNCC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000866699120 596298729 /nfs/dbraw/zinc/29/87/29/596298729.db2.gz JTPNPVMGLGYKCA-UHFFFAOYSA-N 1 3 332.448 1.476 20 0 EDADHO CC1(C)CCNCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000866699120 596298732 /nfs/dbraw/zinc/29/87/32/596298732.db2.gz JTPNPVMGLGYKCA-UHFFFAOYSA-N 1 3 332.448 1.476 20 0 EDADHO COCc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711223 596303855 /nfs/dbraw/zinc/30/38/55/596303855.db2.gz FRDRRIBFYCCGBD-ZACQAIPSSA-N 1 3 331.416 1.200 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCOC2CCCCCC2)C1 ZINC000866714804 596306838 /nfs/dbraw/zinc/30/68/38/596306838.db2.gz XVYVKROMVALFJU-HYVNUMGLSA-N 1 3 337.464 1.593 20 0 EDADHO CC(=O)NCC1CCC([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000865460653 596581599 /nfs/dbraw/zinc/58/15/99/596581599.db2.gz KEKKNDHLSWSFCF-ABHNRTSZSA-N 1 3 336.524 1.439 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000868178978 596713493 /nfs/dbraw/zinc/71/34/93/596713493.db2.gz ZCDGXTTXKUWWQH-FGTMMUONSA-N 1 3 344.459 1.876 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1C ZINC000868230721 596736878 /nfs/dbraw/zinc/73/68/78/596736878.db2.gz LZNWJOIRNAFGBP-IPOQPSJVSA-N 1 3 330.432 1.039 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156265 596815808 /nfs/dbraw/zinc/81/58/08/596815808.db2.gz HDHSXWFLQXRLHY-LZWOXQAQSA-N 1 3 338.496 1.840 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156471 596816129 /nfs/dbraw/zinc/81/61/29/596816129.db2.gz KBRJHJPVZTWPGN-DOTOQJQBSA-N 1 3 345.553 1.935 20 0 EDADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000866492468 596893132 /nfs/dbraw/zinc/89/31/32/596893132.db2.gz HFBCIJOEYZHJOK-JKSUJKDBSA-N 1 3 341.496 1.821 20 0 EDADHO COCCO[C@H]1C[C@@H](CO)CN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210309 597229080 /nfs/dbraw/zinc/22/90/80/597229080.db2.gz BPULGIQUHFQDMF-HIFRSBDPSA-N 1 3 340.489 1.240 20 0 EDADHO NCc1cn(-c2cccc(C[NH2+][C@H]3CCC34CCOCC4)c2)nn1 ZINC000873245111 597237794 /nfs/dbraw/zinc/23/77/94/597237794.db2.gz XDKRRQFIOMTEMY-KRWDZBQOSA-N 1 3 327.432 1.775 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250315 597240068 /nfs/dbraw/zinc/24/00/68/597240068.db2.gz QRIBUNDHTADWKH-HZPDHXFCSA-N 1 3 330.432 1.346 20 0 EDADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000876742003 597316323 /nfs/dbraw/zinc/31/63/23/597316323.db2.gz MNKSGUKBRDGMQJ-QZTJIDSGSA-N 1 3 344.503 1.920 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2c(C[NH3+])cnn2C)N2CCCC2)cc1 ZINC000876740586 597316991 /nfs/dbraw/zinc/31/69/91/597316991.db2.gz JHRXJNJWRBBBFY-QGZVFWFLSA-N 1 3 341.459 1.754 20 0 EDADHO CC1(C)[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000876776304 597336579 /nfs/dbraw/zinc/33/65/79/597336579.db2.gz HGURSUXTWHBIIU-ROUUACIJSA-N 1 3 345.487 1.633 20 0 EDADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000876827230 597352396 /nfs/dbraw/zinc/35/23/96/597352396.db2.gz MDYKANLXWVIACG-CQSZACIVSA-N 1 3 336.505 1.989 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000877032142 597417559 /nfs/dbraw/zinc/41/75/59/597417559.db2.gz ZOSWKTKXENLTCE-GOSISDBHSA-N 1 3 339.524 1.455 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138833 597440981 /nfs/dbraw/zinc/44/09/81/597440981.db2.gz SQSYJXOFKXWZKM-IPMKNSEASA-N 1 3 338.455 1.899 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285334 597486773 /nfs/dbraw/zinc/48/67/73/597486773.db2.gz ZLZZZSBKXFLXLI-KURKYZTESA-N 1 3 328.460 1.647 20 0 EDADHO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000877389624 597507727 /nfs/dbraw/zinc/50/77/27/597507727.db2.gz FFNSBZZHPQTXMH-AOIWGVFYSA-N 1 3 328.460 1.694 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878311497 597594651 /nfs/dbraw/zinc/59/46/51/597594651.db2.gz NISPSUFAMLRNNI-SFHVURJKSA-N 1 3 341.540 1.390 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878311497 597594652 /nfs/dbraw/zinc/59/46/52/597594652.db2.gz NISPSUFAMLRNNI-SFHVURJKSA-N 1 3 341.540 1.390 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878311418 597594666 /nfs/dbraw/zinc/59/46/66/597594666.db2.gz KXDKVEQRHTXPAV-SFHVURJKSA-N 1 3 339.524 1.672 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878311418 597594667 /nfs/dbraw/zinc/59/46/67/597594667.db2.gz KXDKVEQRHTXPAV-SFHVURJKSA-N 1 3 339.524 1.672 20 0 EDADHO COc1cccc(OCC[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000879593048 597649006 /nfs/dbraw/zinc/64/90/06/597649006.db2.gz BOAVMYMVXBMABW-UHFFFAOYSA-N 1 3 333.476 1.786 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H](O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000879594578 597649926 /nfs/dbraw/zinc/64/99/26/597649926.db2.gz MXTLBWZWHMCQBU-PMACEKPBSA-N 1 3 347.503 1.183 20 0 EDADHO C[C@H]1CN(CCC[NH2+]Cc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103801 597651012 /nfs/dbraw/zinc/65/10/12/597651012.db2.gz GLUYJPKNCAWLDS-AWEZNQCLSA-N 1 3 338.521 1.800 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@H](CF)C3)CC2)CC1 ZINC000883248028 597693492 /nfs/dbraw/zinc/69/34/92/597693492.db2.gz FSBLMBYUJOKBEU-CQSZACIVSA-N 1 3 326.460 1.546 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N2CCCC2)c1 ZINC000882581381 597998121 /nfs/dbraw/zinc/99/81/21/597998121.db2.gz VCSQXMSCKZGXQM-INIZCTEOSA-N 1 3 347.507 1.423 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccnc(C(=O)N2CCCC2)c1 ZINC000882581381 597998122 /nfs/dbraw/zinc/99/81/22/597998122.db2.gz VCSQXMSCKZGXQM-INIZCTEOSA-N 1 3 347.507 1.423 20 0 EDADHO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCCCN1CCOCC1 ZINC000914099342 695097520 /nfs/dbraw/zinc/09/75/20/695097520.db2.gz ZKUZWOJXIKHQBU-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCCCN1CCOCC1 ZINC000914099342 695097524 /nfs/dbraw/zinc/09/75/24/695097524.db2.gz ZKUZWOJXIKHQBU-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914982376 695697292 /nfs/dbraw/zinc/69/72/92/695697292.db2.gz DVQBWQHPAHBGJE-CVEARBPZSA-N 1 3 329.510 1.218 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211249 696583621 /nfs/dbraw/zinc/58/36/21/696583621.db2.gz YHHAQYKGRAHSSH-CRAIPNDOSA-N 1 3 337.508 1.724 20 0 EDADHO COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000940007990 700109540 /nfs/dbraw/zinc/10/95/40/700109540.db2.gz CSELWKZVSBWVDR-HNNXBMFYSA-N 1 3 347.463 1.050 20 0 EDADHO COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000940008308 700109829 /nfs/dbraw/zinc/10/98/29/700109829.db2.gz IKAKKNJAPOLPSJ-INIZCTEOSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1C ZINC000940008363 700109944 /nfs/dbraw/zinc/10/99/44/700109944.db2.gz KPJNNZGPYVSJNM-INIZCTEOSA-N 1 3 333.480 1.293 20 0 EDADHO COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)ccn1 ZINC000940008597 700110337 /nfs/dbraw/zinc/11/03/37/700110337.db2.gz VEOHKHULBMDHFQ-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001060737417 697352706 /nfs/dbraw/zinc/35/27/06/697352706.db2.gz RMADTEIKEXRXNI-WKILWMFISA-N 1 3 340.512 1.071 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1CCN1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388948 697588117 /nfs/dbraw/zinc/58/81/17/697588117.db2.gz WVMQPIMGANLBMK-HOCLYGCPSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939209724 699356501 /nfs/dbraw/zinc/35/65/01/699356501.db2.gz IJJNSTHIJUGRHM-DYVFJYSZSA-N 1 3 330.407 1.771 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cncs1 ZINC000939256845 699433942 /nfs/dbraw/zinc/43/39/42/699433942.db2.gz FMHUILKSBULETD-CJNGLKHVSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1ncoc1CNC[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164998 701604719 /nfs/dbraw/zinc/60/47/19/701604719.db2.gz CMNQNBHOLAQMEC-CABCVRRESA-N 1 3 332.448 1.453 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1cc(F)cc(F)c1 ZINC000939543400 699684387 /nfs/dbraw/zinc/68/43/87/699684387.db2.gz COUIGNFDRJSWLY-DYVFJYSZSA-N 1 3 349.425 1.997 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1ccnn1C ZINC000939810544 699958900 /nfs/dbraw/zinc/95/89/00/699958900.db2.gz NNHUOUMDJFQTRK-RDJZCZTQSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3(N(C)C)CCC3)CC2)on1 ZINC000940147880 700279825 /nfs/dbraw/zinc/27/98/25/700279825.db2.gz HUOAXZGLDALXDD-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000940164683 700299657 /nfs/dbraw/zinc/29/96/57/700299657.db2.gz UUBWJWXSWJIPER-KRWDZBQOSA-N 1 3 349.523 1.960 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccnc2C)CC1)N(C)C ZINC000940176287 700308390 /nfs/dbraw/zinc/30/83/90/700308390.db2.gz CTURUGWOGGRLGK-MRXNPFEDSA-N 1 3 333.480 1.596 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)o1 ZINC000940179055 700312589 /nfs/dbraw/zinc/31/25/89/700312589.db2.gz QEFZDTGKVFUKMS-MRXNPFEDSA-N 1 3 334.464 1.938 20 0 EDADHO C[NH+]1CCC(C(=O)N2CCC(C)(NCc3nccs3)CC2)CC1 ZINC000940296802 700469231 /nfs/dbraw/zinc/46/92/31/700469231.db2.gz XQIMENGXCWURNL-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC000940329247 700508504 /nfs/dbraw/zinc/50/85/04/700508504.db2.gz SHVHIKMWEXCJNM-UONOGXRCSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC000940329247 700508506 /nfs/dbraw/zinc/50/85/06/700508506.db2.gz SHVHIKMWEXCJNM-UONOGXRCSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1ncc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168164 701658863 /nfs/dbraw/zinc/65/88/63/701658863.db2.gz MVFUWFHYRYMNTL-HUUCEWRRSA-N 1 3 332.448 1.453 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945173 701010685 /nfs/dbraw/zinc/01/06/85/701010685.db2.gz XSSAUKVKQNTXAW-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940945173 701010687 /nfs/dbraw/zinc/01/06/87/701010687.db2.gz XSSAUKVKQNTXAW-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921939 701071422 /nfs/dbraw/zinc/07/14/22/701071422.db2.gz OAQTTWSNKIZVNH-YJBOKZPZSA-N 1 3 337.508 1.866 20 0 EDADHO COC[C@H](C)N1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921939 701071426 /nfs/dbraw/zinc/07/14/26/701071426.db2.gz OAQTTWSNKIZVNH-YJBOKZPZSA-N 1 3 337.508 1.866 20 0 EDADHO CCO[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C[NH+](C)C ZINC000921677953 706602006 /nfs/dbraw/zinc/60/20/06/706602006.db2.gz HCVGLLLCJDPBAE-KURKYZTESA-N 1 3 348.491 1.698 20 0 EDADHO CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518373 706602298 /nfs/dbraw/zinc/60/22/98/706602298.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 1 3 337.508 1.676 20 0 EDADHO CC[C@H](C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1)OC ZINC000946518373 706602300 /nfs/dbraw/zinc/60/23/00/706602300.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 1 3 337.508 1.676 20 0 EDADHO CC1CC(C[NH+]2CC(N3CCN(C(=O)C4(N(C)C)CCC4)CC3)C2)C1 ZINC000941437026 701540246 /nfs/dbraw/zinc/54/02/46/701540246.db2.gz OVSAWSQHAKGVJX-UHFFFAOYSA-N 1 3 348.535 1.345 20 0 EDADHO O=C(NCC1CN([C@@H]2CCc3ccccc32)C1)C12CC[NH+](CC1)C2 ZINC001032130085 701833180 /nfs/dbraw/zinc/83/31/80/701833180.db2.gz FTAOMRKGOJSRIO-GOSISDBHSA-N 1 3 325.456 1.818 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994424 702372190 /nfs/dbraw/zinc/37/21/90/702372190.db2.gz DKJGZTAFMPCYRL-MRXNPFEDSA-N 1 3 345.491 1.375 20 0 EDADHO Cc1nc([C@H](C)N[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n[nH]1 ZINC000996518225 702853888 /nfs/dbraw/zinc/85/38/88/702853888.db2.gz CXIXJSOGSOZSDK-GXTWGEPZSA-N 1 3 346.479 1.097 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)s1 ZINC000996522123 702857922 /nfs/dbraw/zinc/85/79/22/702857922.db2.gz VZUKWEZGDLYILT-OAHLLOKOSA-N 1 3 348.516 1.874 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996663630 702961778 /nfs/dbraw/zinc/96/17/78/702961778.db2.gz HXTJMGOIUWFDHM-OAHLLOKOSA-N 1 3 345.491 1.911 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996667169 702964216 /nfs/dbraw/zinc/96/42/16/702964216.db2.gz YCCZOSSJCNRHOU-UHFFFAOYSA-N 1 3 348.495 1.171 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cn1 ZINC000996676382 702975543 /nfs/dbraw/zinc/97/55/43/702975543.db2.gz HGTLBRHIMPMXPV-KSSFIOAISA-N 1 3 345.491 1.767 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996677445 702976649 /nfs/dbraw/zinc/97/66/49/702976649.db2.gz JQUKGHACCAUJNI-QGZVFWFLSA-N 1 3 334.464 1.658 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996711898 703006882 /nfs/dbraw/zinc/00/68/82/703006882.db2.gz MZDXFWLJCQXGEH-DLBZAZTESA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000996711898 703006885 /nfs/dbraw/zinc/00/68/85/703006885.db2.gz MZDXFWLJCQXGEH-DLBZAZTESA-N 1 3 345.491 1.518 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001032027413 703049478 /nfs/dbraw/zinc/04/94/78/703049478.db2.gz RCCBABXMYPOXNU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001032027413 703049481 /nfs/dbraw/zinc/04/94/81/703049481.db2.gz RCCBABXMYPOXNU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996767880 703059389 /nfs/dbraw/zinc/05/93/89/703059389.db2.gz VGXYMRGIIYDWQV-UHFFFAOYSA-N 1 3 332.448 1.692 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996771775 703061978 /nfs/dbraw/zinc/06/19/78/703061978.db2.gz TZAZSUNWIJVQLM-UHFFFAOYSA-N 1 3 349.504 1.556 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996945909 703214728 /nfs/dbraw/zinc/21/47/28/703214728.db2.gz KLJRFMJGZZXNEW-UHFFFAOYSA-N 1 3 333.480 1.325 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000997000285 703257372 /nfs/dbraw/zinc/25/73/72/703257372.db2.gz OUPSSGUWGXFGGM-AWEZNQCLSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008996 703263553 /nfs/dbraw/zinc/26/35/53/703263553.db2.gz NUIRHKMZLJQDIS-SUMWQHHRSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008996 703263554 /nfs/dbraw/zinc/26/35/54/703263554.db2.gz NUIRHKMZLJQDIS-SUMWQHHRSA-N 1 3 333.480 1.007 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(CC)c2)CC1)N(C)C ZINC000997014790 703273792 /nfs/dbraw/zinc/27/37/92/703273792.db2.gz KEPGERWVSJXPHD-KRWDZBQOSA-N 1 3 335.496 1.366 20 0 EDADHO C[C@@H](NC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000997058961 703304254 /nfs/dbraw/zinc/30/42/54/703304254.db2.gz STQSQWDJYPDOHN-OAHLLOKOSA-N 1 3 345.491 1.850 20 0 EDADHO C[C@@H](C(=O)N1CCC(NCc2ccn(C)n2)CC1)[NH+]1CCCCCC1 ZINC000997060740 703305787 /nfs/dbraw/zinc/30/57/87/703305787.db2.gz JHGRMPFOJXMDJR-INIZCTEOSA-N 1 3 347.507 1.765 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000997307943 703566180 /nfs/dbraw/zinc/56/61/80/703566180.db2.gz XUGYZCXPZSTVPT-SFHVURJKSA-N 1 3 349.450 1.536 20 0 EDADHO C[C@@H](NC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1cnccn1 ZINC000997363454 703597120 /nfs/dbraw/zinc/59/71/20/703597120.db2.gz GETQFUSMFKQGIA-MRXNPFEDSA-N 1 3 345.491 1.994 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC000997366311 703600118 /nfs/dbraw/zinc/60/01/18/703600118.db2.gz BSXZJDIANPOABX-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)n1 ZINC000997366311 703600120 /nfs/dbraw/zinc/60/01/20/703600120.db2.gz BSXZJDIANPOABX-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997420962 703670378 /nfs/dbraw/zinc/67/03/78/703670378.db2.gz LDNFXCNITWJJCU-PBHICJAKSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997420962 703670380 /nfs/dbraw/zinc/67/03/80/703670380.db2.gz LDNFXCNITWJJCU-PBHICJAKSA-N 1 3 347.507 1.397 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C1CC1 ZINC000997829650 704748182 /nfs/dbraw/zinc/74/81/82/704748182.db2.gz BDOPDFOAFBLMOL-WMZOPIPTSA-N 1 3 337.508 1.581 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCCN3C)CC2)on1 ZINC000997865146 704772440 /nfs/dbraw/zinc/77/24/40/704772440.db2.gz LSMMMVDEIDNEMX-KRWDZBQOSA-N 1 3 334.464 1.796 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1)c1cnccn1 ZINC000997865270 704772594 /nfs/dbraw/zinc/77/25/94/704772594.db2.gz NBOUNSSFAVNPGI-QAPCUYQASA-N 1 3 345.491 1.850 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cn1 ZINC000998080926 705300135 /nfs/dbraw/zinc/30/01/35/705300135.db2.gz GAKZCKAWZPQYSX-INIZCTEOSA-N 1 3 345.491 1.598 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081249 705301862 /nfs/dbraw/zinc/30/18/62/705301862.db2.gz HUYDPYKHGKJYSY-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000998081249 705301867 /nfs/dbraw/zinc/30/18/67/705301867.db2.gz HUYDPYKHGKJYSY-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083612 705312773 /nfs/dbraw/zinc/31/27/73/705312773.db2.gz WVADFSRZJIXAJP-MRXNPFEDSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1cncc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998269895 705646939 /nfs/dbraw/zinc/64/69/39/705646939.db2.gz QCTMOMNNYNZWCY-UHFFFAOYSA-N 1 3 330.476 1.814 20 0 EDADHO Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834879 707468230 /nfs/dbraw/zinc/46/82/30/707468230.db2.gz ZJERIMALBGCSBP-UHFFFAOYSA-N 1 3 336.505 1.669 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CCC2CC2)C1 ZINC000999143432 706556750 /nfs/dbraw/zinc/55/67/50/706556750.db2.gz NNTJYLLZXJTIRZ-YMVOSSCXSA-N 1 3 333.476 1.229 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999355255 706844921 /nfs/dbraw/zinc/84/49/21/706844921.db2.gz TZHLYWJCGVPNNM-MSOLQXFVSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999355255 706844924 /nfs/dbraw/zinc/84/49/24/706844924.db2.gz TZHLYWJCGVPNNM-MSOLQXFVSA-N 1 3 347.507 1.764 20 0 EDADHO CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cn1 ZINC000999373599 706867902 /nfs/dbraw/zinc/86/79/02/706867902.db2.gz QUWOQPDZSRVYRW-QZTJIDSGSA-N 1 3 347.507 1.366 20 0 EDADHO COc1cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)ccn1 ZINC000999363394 706876896 /nfs/dbraw/zinc/87/68/96/706876896.db2.gz HFLNDQAJVQYPCW-INIZCTEOSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999402069 706910261 /nfs/dbraw/zinc/91/02/61/706910261.db2.gz DGHZRBYVGLPBCM-UHFFFAOYSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)N(C)C ZINC000999491556 707028055 /nfs/dbraw/zinc/02/80/55/707028055.db2.gz VWAXGNFPPFJJJW-QZTJIDSGSA-N 1 3 333.476 1.600 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999573380 707079643 /nfs/dbraw/zinc/07/96/43/707079643.db2.gz IOBFPVVHALHUIR-AEFFLSMTSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999573380 707079645 /nfs/dbraw/zinc/07/96/45/707079645.db2.gz IOBFPVVHALHUIR-AEFFLSMTSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946779797 707246714 /nfs/dbraw/zinc/24/67/14/707246714.db2.gz SXCFQYSMMHNRTE-ZSYWTGECSA-N 1 3 349.519 1.678 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946779797 707246717 /nfs/dbraw/zinc/24/67/17/707246717.db2.gz SXCFQYSMMHNRTE-ZSYWTGECSA-N 1 3 349.519 1.678 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279717 707347846 /nfs/dbraw/zinc/34/78/46/707347846.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279717 707347853 /nfs/dbraw/zinc/34/78/53/707347853.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 1 3 347.503 1.573 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2ccc(F)cc2F)C1 ZINC000999833567 707465451 /nfs/dbraw/zinc/46/54/51/707465451.db2.gz ZKCRONPTKBAMJU-IUDNXUCKSA-N 1 3 337.414 1.996 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2ccc(F)cc2F)C1 ZINC000999833567 707465455 /nfs/dbraw/zinc/46/54/55/707465455.db2.gz ZKCRONPTKBAMJU-IUDNXUCKSA-N 1 3 337.414 1.996 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033320759 707517247 /nfs/dbraw/zinc/51/72/47/707517247.db2.gz WORIBOOYSYFWCT-SJORKVTESA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001033320759 707517252 /nfs/dbraw/zinc/51/72/52/707517252.db2.gz WORIBOOYSYFWCT-SJORKVTESA-N 1 3 337.508 1.820 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999875873 707522038 /nfs/dbraw/zinc/52/20/38/707522038.db2.gz CKXZJFKLWOOVDK-PREGVCBESA-N 1 3 333.480 1.374 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001834036 708360675 /nfs/dbraw/zinc/36/06/75/708360675.db2.gz NUPPJSYNJIKSJY-KSSFIOAISA-N 1 3 347.507 1.254 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001834036 708360678 /nfs/dbraw/zinc/36/06/78/708360678.db2.gz NUPPJSYNJIKSJY-KSSFIOAISA-N 1 3 347.507 1.254 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321056 709771091 /nfs/dbraw/zinc/77/10/91/709771091.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 1 3 333.476 1.230 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321056 709771092 /nfs/dbraw/zinc/77/10/92/709771092.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 1 3 333.476 1.230 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001032840120 710289419 /nfs/dbraw/zinc/28/94/19/710289419.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C[C@@H]3CC(C)(C)CO3)C2)CC[N@H+]1C ZINC001032840120 710289422 /nfs/dbraw/zinc/28/94/22/710289422.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1)C(N)=O ZINC001034643963 710320001 /nfs/dbraw/zinc/32/00/01/710320001.db2.gz GKCSVHJOAIRXOO-KKUMJFAQSA-N 1 3 338.496 1.142 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2cnns2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648252 710324913 /nfs/dbraw/zinc/32/49/13/710324913.db2.gz GMVSQEPHEXFZAA-DZKIICNBSA-N 1 3 349.504 1.397 20 0 EDADHO CC[C@H](C(N)=O)N1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665431 710900603 /nfs/dbraw/zinc/90/06/03/710900603.db2.gz WJMNOFZOGSPPGV-MRXNPFEDSA-N 1 3 343.431 1.135 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)ncn1 ZINC001034734712 710917394 /nfs/dbraw/zinc/91/73/94/710917394.db2.gz WAMLYHQXYNPCSZ-XIRDDKMYSA-N 1 3 345.491 1.644 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034735564 710920832 /nfs/dbraw/zinc/92/08/32/710920832.db2.gz IPSBDDNJPHCUHW-BZUAXINKSA-N 1 3 333.480 1.421 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738857 710932513 /nfs/dbraw/zinc/93/25/13/710932513.db2.gz WNRUJGBKCMWGLI-JKQORVJESA-N 1 3 333.480 1.135 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738857 710932518 /nfs/dbraw/zinc/93/25/18/710932518.db2.gz WNRUJGBKCMWGLI-JKQORVJESA-N 1 3 333.480 1.135 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)nc1)C2 ZINC000922385674 711445316 /nfs/dbraw/zinc/44/53/16/711445316.db2.gz BWBBAFAAURESOF-CBZIJGRNSA-N 1 3 333.480 1.112 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(N(C)C)nc1)C2 ZINC000922385674 711445318 /nfs/dbraw/zinc/44/53/18/711445318.db2.gz BWBBAFAAURESOF-CBZIJGRNSA-N 1 3 333.480 1.112 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633180 712054493 /nfs/dbraw/zinc/05/44/93/712054493.db2.gz LSJSNYHZYPGXKV-FJIDUMEYSA-N 1 3 339.524 1.778 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633180 712054496 /nfs/dbraw/zinc/05/44/96/712054496.db2.gz LSJSNYHZYPGXKV-FJIDUMEYSA-N 1 3 339.524 1.778 20 0 EDADHO CCCn1nccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051235908 214084231 /nfs/dbraw/zinc/08/42/31/214084231.db2.gz GEURWPFNRQGNFX-UHFFFAOYSA-N 1 3 348.495 1.973 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000267820613 282114436 /nfs/dbraw/zinc/11/44/36/282114436.db2.gz RAKDJTWPAUCDLH-KRWDZBQOSA-N 1 3 346.475 1.282 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000168964476 529979906 /nfs/dbraw/zinc/97/99/06/529979906.db2.gz HRDPDXIEBHFOFQ-CVEARBPZSA-N 1 3 333.476 1.858 20 0 EDADHO O=C(NC[C@]1(O)CN2CCC1CC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000560506588 306272511 /nfs/dbraw/zinc/27/25/11/306272511.db2.gz IWMUDYSGAFJNBJ-FQEVSTJZSA-N 1 3 343.471 1.469 20 0 EDADHO C[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCCC[NH2+]1 ZINC000181011066 234060453 /nfs/dbraw/zinc/06/04/53/234060453.db2.gz DFFBQACZXCLSLE-FQEVSTJZSA-N 1 3 345.487 1.792 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562949521 306313403 /nfs/dbraw/zinc/31/34/03/306313403.db2.gz HRWJPDSZTWMGGU-HKUYNNGSSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562949521 306313404 /nfs/dbraw/zinc/31/34/04/306313404.db2.gz HRWJPDSZTWMGGU-HKUYNNGSSA-N 1 3 331.460 1.176 20 0 EDADHO Cc1cnn(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050797199 138132970 /nfs/dbraw/zinc/13/29/70/138132970.db2.gz SYAWAZJDSXONHE-UHFFFAOYSA-N 1 3 333.480 1.256 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580474 306339603 /nfs/dbraw/zinc/33/96/03/306339603.db2.gz IXNNISIBRMANSK-HYVNUMGLSA-N 1 3 332.448 1.191 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000563945434 306352952 /nfs/dbraw/zinc/35/29/52/306352952.db2.gz KXFBEWRWDIEKJH-HCXYKTFWSA-N 1 3 344.503 1.847 20 0 EDADHO N[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000564953102 306371211 /nfs/dbraw/zinc/37/12/11/306371211.db2.gz SHMBSJDAYLHQOZ-VHDGCEQUSA-N 1 3 343.406 1.193 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698413 304129504 /nfs/dbraw/zinc/12/95/04/304129504.db2.gz QTHNUSFVEBRZDS-ZACQAIPSSA-N 1 3 336.524 1.439 20 0 EDADHO COCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1 ZINC000414705915 304130228 /nfs/dbraw/zinc/13/02/28/304130228.db2.gz OAQKWDOINKBQAJ-DLBZAZTESA-N 1 3 333.476 1.893 20 0 EDADHO COCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H](C)c1ccccc1 ZINC000414705915 304130230 /nfs/dbraw/zinc/13/02/30/304130230.db2.gz OAQKWDOINKBQAJ-DLBZAZTESA-N 1 3 333.476 1.893 20 0 EDADHO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703714 304130398 /nfs/dbraw/zinc/13/03/98/304130398.db2.gz MROMHLKLKKUAGS-OALUTQOASA-N 1 3 347.503 1.703 20 0 EDADHO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703714 304130399 /nfs/dbraw/zinc/13/03/99/304130399.db2.gz MROMHLKLKKUAGS-OALUTQOASA-N 1 3 347.503 1.703 20 0 EDADHO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414750098 304137242 /nfs/dbraw/zinc/13/72/42/304137242.db2.gz ZIVOCFIGXYTDME-ZWKOTPCHSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414750098 304137243 /nfs/dbraw/zinc/13/72/43/304137243.db2.gz ZIVOCFIGXYTDME-ZWKOTPCHSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414794868 304141318 /nfs/dbraw/zinc/14/13/18/304141318.db2.gz GAAJLJQGYYCCQQ-AWEZNQCLSA-N 1 3 332.448 1.588 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000414830393 304145745 /nfs/dbraw/zinc/14/57/45/304145745.db2.gz AZEYYCGGIBTUNR-GDBMZVCRSA-N 1 3 341.496 1.530 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000415104133 304160552 /nfs/dbraw/zinc/16/05/52/304160552.db2.gz DPOIRRZDCHETMM-INIZCTEOSA-N 1 3 330.432 1.171 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118130 304161427 /nfs/dbraw/zinc/16/14/27/304161427.db2.gz DRMZKIBYGSBYAU-MRXNPFEDSA-N 1 3 329.404 1.361 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)cc1 ZINC000415139046 304163558 /nfs/dbraw/zinc/16/35/58/304163558.db2.gz HSKAIYYJPPGRHE-CZUORRHYSA-N 1 3 330.432 1.040 20 0 EDADHO COC(=O)c1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144730 304164259 /nfs/dbraw/zinc/16/42/59/304164259.db2.gz VUMNPXAXJZWJBK-SJORKVTESA-N 1 3 330.428 1.674 20 0 EDADHO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000236707883 139029312 /nfs/dbraw/zinc/02/93/12/139029312.db2.gz MTFONFCXJMJDMR-SFHVURJKSA-N 1 3 332.492 1.424 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CC2)cc1OC ZINC000236881634 139034119 /nfs/dbraw/zinc/03/41/19/139034119.db2.gz KTPBWLXJFYYYDL-UHFFFAOYSA-N 1 3 335.448 1.523 20 0 EDADHO C[NH2+]CCCC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000237160880 139042610 /nfs/dbraw/zinc/04/26/10/139042610.db2.gz GFMMCQBATJOLGE-UHFFFAOYSA-N 1 3 332.492 1.705 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000237201990 139043827 /nfs/dbraw/zinc/04/38/27/139043827.db2.gz OOFVUJWXOMELSL-IBGZPJMESA-N 1 3 341.455 1.986 20 0 EDADHO COCCNCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237204548 139044055 /nfs/dbraw/zinc/04/40/55/139044055.db2.gz CTYOYSDOTHZDLF-UHFFFAOYSA-N 1 3 333.476 1.915 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237399049 139050036 /nfs/dbraw/zinc/05/00/36/139050036.db2.gz ZZIMEWQCEXFNAT-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1 ZINC000415191279 304173191 /nfs/dbraw/zinc/17/31/91/304173191.db2.gz GNFGSQQKEIJIOU-XJKSGUPXSA-N 1 3 346.475 1.881 20 0 EDADHO C[C@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000237541800 139053526 /nfs/dbraw/zinc/05/35/26/139053526.db2.gz CKMMTPCJWCGUHA-HOTGVXAUSA-N 1 3 330.476 1.256 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC3CCC([NH3+])CC3)CC2)c1 ZINC000237718849 139058606 /nfs/dbraw/zinc/05/86/06/139058606.db2.gz GINPSUXOVSGAHX-UHFFFAOYSA-N 1 3 344.503 1.893 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000111855385 220209190 /nfs/dbraw/zinc/20/91/90/220209190.db2.gz LYQAGSXXYNTTKI-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000246794281 139121736 /nfs/dbraw/zinc/12/17/36/139121736.db2.gz QEMCNOAVPAYSDC-VVLHAWIVSA-N 1 3 337.508 1.865 20 0 EDADHO [NH3+]CC1(CC(=O)Nc2ccc(N3CCNCC3)cn2)CCCCC1 ZINC000568371219 306479856 /nfs/dbraw/zinc/47/98/56/306479856.db2.gz OOJZAULIMBZRKK-UHFFFAOYSA-N 1 3 331.464 1.729 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000247293574 139143823 /nfs/dbraw/zinc/14/38/23/139143823.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000247293574 139143824 /nfs/dbraw/zinc/14/38/24/139143824.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 1 3 340.512 1.517 20 0 EDADHO C[N@@H+](CCC(=O)NC(N)=O)CCC1CCN(c2ccncc2)CC1 ZINC000092821016 218172020 /nfs/dbraw/zinc/17/20/20/218172020.db2.gz PTPMORMLCGQCFD-UHFFFAOYSA-N 1 3 333.436 1.205 20 0 EDADHO C[N@H+](CCC(=O)NC(N)=O)CCC1CCN(c2ccncc2)CC1 ZINC000092821016 218172021 /nfs/dbraw/zinc/17/20/21/218172021.db2.gz PTPMORMLCGQCFD-UHFFFAOYSA-N 1 3 333.436 1.205 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989356 139182532 /nfs/dbraw/zinc/18/25/32/139182532.db2.gz MYYLONNYAFOKOH-BKVYNOPKSA-N 1 3 339.524 1.576 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989356 139182533 /nfs/dbraw/zinc/18/25/33/139182533.db2.gz MYYLONNYAFOKOH-BKVYNOPKSA-N 1 3 339.524 1.576 20 0 EDADHO N[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000261720558 139220305 /nfs/dbraw/zinc/22/03/05/139220305.db2.gz JGPJOBOEOGAJCT-LJQANCHMSA-N 1 3 345.487 1.564 20 0 EDADHO C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000261872346 139233018 /nfs/dbraw/zinc/23/30/18/139233018.db2.gz SMSNKDWKDLNEDY-HKUYNNGSSA-N 1 3 344.503 1.785 20 0 EDADHO CC[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417008346 251128962 /nfs/dbraw/zinc/12/89/62/251128962.db2.gz IMINDCBLCQHOOR-QZTJIDSGSA-N 1 3 346.475 1.192 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCCO1 ZINC000417015262 251132397 /nfs/dbraw/zinc/13/23/97/251132397.db2.gz FHPQRHLWZCLGIA-GOSISDBHSA-N 1 3 346.475 1.113 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417019385 251134667 /nfs/dbraw/zinc/13/46/67/251134667.db2.gz ISGKSCKATXQRGU-AEFFLSMTSA-N 1 3 330.476 1.861 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417019386 251134897 /nfs/dbraw/zinc/13/48/97/251134897.db2.gz ISGKSCKATXQRGU-FUHWJXTLSA-N 1 3 330.476 1.861 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000262344014 139271872 /nfs/dbraw/zinc/27/18/72/139271872.db2.gz HKNRRKWGIUSNKO-CUSZFKRNSA-N 1 3 337.508 1.722 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417443077 251176005 /nfs/dbraw/zinc/17/60/05/251176005.db2.gz XAFJGUMDIBJGBF-QGZVFWFLSA-N 1 3 334.464 1.487 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657490 251215929 /nfs/dbraw/zinc/21/59/29/251215929.db2.gz WDUNDOZOFYXGPH-FGTMMUONSA-N 1 3 328.460 1.512 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417627811 251209312 /nfs/dbraw/zinc/20/93/12/251209312.db2.gz PRBJLQMDZQDCGY-CQSZACIVSA-N 1 3 328.526 1.775 20 0 EDADHO C[C@H](C[NH3+])N(C)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417633380 251210470 /nfs/dbraw/zinc/21/04/70/251210470.db2.gz YBFDUOQQLSNLHL-CQSZACIVSA-N 1 3 328.526 1.727 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000417751091 251253964 /nfs/dbraw/zinc/25/39/64/251253964.db2.gz LBFXOAZZESKFHB-CVEARBPZSA-N 1 3 327.517 1.077 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000417753048 251255598 /nfs/dbraw/zinc/25/55/98/251255598.db2.gz NVIGWSJWKRWQIB-HZPDHXFCSA-N 1 3 347.507 1.389 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)CCCN1CCC([NH3+])CC1 ZINC000417827740 251287227 /nfs/dbraw/zinc/28/72/27/251287227.db2.gz FZVMJGWNROHAGT-GOSISDBHSA-N 1 3 332.492 1.568 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417806368 251277230 /nfs/dbraw/zinc/27/72/30/251277230.db2.gz IMQDXEFMHVYMLZ-NVXWUHKLSA-N 1 3 340.512 1.787 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CN1Cc1ccccc1 ZINC000417880111 251311127 /nfs/dbraw/zinc/31/11/27/251311127.db2.gz SLOKPBBSLZPRFX-HPBDAGMYSA-N 1 3 328.460 1.653 20 0 EDADHO C[C@@H](C(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262516696 139283755 /nfs/dbraw/zinc/28/37/55/139283755.db2.gz GNRWCJARXLAPIL-SJORKVTESA-N 1 3 332.492 1.688 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418201839 251355724 /nfs/dbraw/zinc/35/57/24/251355724.db2.gz HXRACEADTRWSGI-RBOXIYTFSA-N 1 3 340.418 1.660 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000418306271 251358643 /nfs/dbraw/zinc/35/86/43/251358643.db2.gz AHQCXIKEDQYPPA-HRCADAONSA-N 1 3 326.485 1.127 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000418318510 251360081 /nfs/dbraw/zinc/36/00/81/251360081.db2.gz NQQDJWKYKZKZDV-KRWDZBQOSA-N 1 3 348.491 1.768 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000418347462 251361624 /nfs/dbraw/zinc/36/16/24/251361624.db2.gz VRCSTBNKZGIESZ-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@@H](NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418713799 251393164 /nfs/dbraw/zinc/39/31/64/251393164.db2.gz YFNWTNUJJRXLLG-DLBZAZTESA-N 1 3 347.507 1.181 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418718808 251395727 /nfs/dbraw/zinc/39/57/27/251395727.db2.gz UHWBNWVFZKSYNK-CQSZACIVSA-N 1 3 346.397 1.881 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262632140 139291586 /nfs/dbraw/zinc/29/15/86/139291586.db2.gz FPXFSJWYNBTOKD-INIZCTEOSA-N 1 3 344.459 1.322 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNCC3CC3)cc2)C1 ZINC000262632140 139291587 /nfs/dbraw/zinc/29/15/87/139291587.db2.gz FPXFSJWYNBTOKD-INIZCTEOSA-N 1 3 344.459 1.322 20 0 EDADHO Cc1ccc([C@H](N)C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000262659777 139294034 /nfs/dbraw/zinc/29/40/34/139294034.db2.gz NKRGQPSZEAKXRU-SFHVURJKSA-N 1 3 332.492 1.385 20 0 EDADHO Cc1ccc([C@H](N)C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000262659777 139294035 /nfs/dbraw/zinc/29/40/35/139294035.db2.gz NKRGQPSZEAKXRU-SFHVURJKSA-N 1 3 332.492 1.385 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262669038 139294954 /nfs/dbraw/zinc/29/49/54/139294954.db2.gz QTOLBQFAECBDKY-MRXNPFEDSA-N 1 3 346.475 1.696 20 0 EDADHO C[C@H](CC(=O)N1CCN(CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000262674221 139295497 /nfs/dbraw/zinc/29/54/97/139295497.db2.gz QNCNNNIRGADOPO-SJLPKXTDSA-N 1 3 337.508 1.583 20 0 EDADHO CN(CCN[C@@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094571 252036447 /nfs/dbraw/zinc/03/64/47/252036447.db2.gz KKMBGBZOTQKVSF-SWLSCSKDSA-N 1 3 329.441 1.163 20 0 EDADHO COC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000423357086 252052099 /nfs/dbraw/zinc/05/20/99/252052099.db2.gz LLJYYXPZMZJLRM-QUCCMNQESA-N 1 3 345.487 1.874 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423736455 252067587 /nfs/dbraw/zinc/06/75/87/252067587.db2.gz BSWKFFZUJNUNKW-ZBFHGGJFSA-N 1 3 341.402 1.361 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422904303 252018679 /nfs/dbraw/zinc/01/86/79/252018679.db2.gz GSOBWWSSWNYIFS-JWTNVVGKSA-N 1 3 330.476 1.351 20 0 EDADHO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422906701 252018743 /nfs/dbraw/zinc/01/87/43/252018743.db2.gz AGEWJFFOYCLQSZ-ROUUACIJSA-N 1 3 330.476 1.482 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000423793639 252078063 /nfs/dbraw/zinc/07/80/63/252078063.db2.gz IWJBAWFOQBUGEX-RYQLBKOJSA-N 1 3 330.476 1.750 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795940 252079961 /nfs/dbraw/zinc/07/99/61/252079961.db2.gz KYZNPJWSXXPWDW-HKUYNNGSSA-N 1 3 330.476 1.752 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000423799902 252081037 /nfs/dbraw/zinc/08/10/37/252081037.db2.gz QVEZFKLQVVYAEO-HKUYNNGSSA-N 1 3 330.476 1.894 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000423799938 252081481 /nfs/dbraw/zinc/08/14/81/252081481.db2.gz KYJBVRSIPNKNRE-HUUCEWRRSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917166 139312627 /nfs/dbraw/zinc/31/26/27/139312627.db2.gz ZBFSCCYRPSHSCN-DZGCQCFKSA-N 1 3 332.448 1.450 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424169145 252150811 /nfs/dbraw/zinc/15/08/11/252150811.db2.gz JIGVXKHHRQNAIW-INIZCTEOSA-N 1 3 342.447 1.825 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415606207 304237709 /nfs/dbraw/zinc/23/77/09/304237709.db2.gz RAVLJMQYCBDZRJ-IBGZPJMESA-N 1 3 344.459 1.207 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000262974597 139316225 /nfs/dbraw/zinc/31/62/25/139316225.db2.gz XYPFGJBIORIQJW-GOSISDBHSA-N 1 3 349.475 1.387 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458377718 285032941 /nfs/dbraw/zinc/03/29/41/285032941.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458377718 285032942 /nfs/dbraw/zinc/03/29/42/285032942.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 1 3 326.485 1.221 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000471642756 255015106 /nfs/dbraw/zinc/01/51/06/255015106.db2.gz DOQDYIULIHXETQ-SFHVURJKSA-N 1 3 348.491 1.701 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000118103212 221117758 /nfs/dbraw/zinc/11/77/58/221117758.db2.gz VLYCBHSQNPUSBU-MRXNPFEDSA-N 1 3 332.448 1.143 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416239122 304299498 /nfs/dbraw/zinc/29/94/98/304299498.db2.gz JYIVGVINQAISKV-NXHRZFHOSA-N 1 3 333.476 1.593 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333425460 141316087 /nfs/dbraw/zinc/31/60/87/141316087.db2.gz TXJBJOWSSBOIDJ-FICVDOATSA-N 1 3 338.521 1.255 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000333489775 141325914 /nfs/dbraw/zinc/32/59/14/141325914.db2.gz DDCPQUAQASPUFU-DACLVMHWSA-N 1 3 346.475 1.533 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000333587856 141341142 /nfs/dbraw/zinc/34/11/42/141341142.db2.gz OQIYLYIMXIYNJH-CQSZACIVSA-N 1 3 330.432 1.799 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000333806192 141385126 /nfs/dbraw/zinc/38/51/26/141385126.db2.gz IOIAFQBNYFEIGN-VYDXJSESSA-N 1 3 338.496 1.399 20 0 EDADHO NC(=O)C1(NC/C=C\C[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000340173587 142291438 /nfs/dbraw/zinc/29/14/38/142291438.db2.gz SAGWQVQILRTICV-FPLPWBNLSA-N 1 3 336.480 1.098 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ncn(C)n2)CC1 ZINC000344936999 143028722 /nfs/dbraw/zinc/02/87/22/143028722.db2.gz YUAOELZUUCAOOH-UHFFFAOYSA-N 1 3 328.464 1.289 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C1 ZINC000346007920 143156807 /nfs/dbraw/zinc/15/68/07/143156807.db2.gz IHDBEOWTAUGLIA-MSOLQXFVSA-N 1 3 348.491 1.609 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000346163216 143174025 /nfs/dbraw/zinc/17/40/25/143174025.db2.gz LHWQVTTXLKIUNX-WMZOPIPTSA-N 1 3 333.476 1.449 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000346163216 143174026 /nfs/dbraw/zinc/17/40/26/143174026.db2.gz LHWQVTTXLKIUNX-WMZOPIPTSA-N 1 3 333.476 1.449 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000347034258 143274330 /nfs/dbraw/zinc/27/43/30/143274330.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 1 3 332.492 1.338 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276342 /nfs/dbraw/zinc/27/63/42/143276342.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276343 /nfs/dbraw/zinc/27/63/43/143276343.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CCOCc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061102 143277625 /nfs/dbraw/zinc/27/76/25/143277625.db2.gz YLEKQRWANHTGEH-MRXNPFEDSA-N 1 3 349.475 1.519 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000347061670 143277737 /nfs/dbraw/zinc/27/77/37/143277737.db2.gz BMEAKELVMWKGRE-IRXDYDNUSA-N 1 3 334.464 1.309 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147263 143287656 /nfs/dbraw/zinc/28/76/56/143287656.db2.gz MOIVXMUTRSTJEK-HZPDHXFCSA-N 1 3 325.497 1.412 20 0 EDADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)n1C ZINC000347317711 143307762 /nfs/dbraw/zinc/30/77/62/143307762.db2.gz VNKLREAUZJVRMZ-UHFFFAOYSA-N 1 3 332.492 1.930 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000347582576 143337419 /nfs/dbraw/zinc/33/74/19/143337419.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000347582576 143337420 /nfs/dbraw/zinc/33/74/20/143337420.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 1 3 326.485 1.076 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416962518 304356065 /nfs/dbraw/zinc/35/60/65/304356065.db2.gz AKRUKCRWGRITKA-WMLDXEAASA-N 1 3 334.464 1.424 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000416963689 304355860 /nfs/dbraw/zinc/35/58/60/304355860.db2.gz BLOUKFRRORGDHB-RDJZCZTQSA-N 1 3 348.491 1.753 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000416971131 304357715 /nfs/dbraw/zinc/35/77/15/304357715.db2.gz OWTSDABSPTVNFH-GOSISDBHSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979762 304360437 /nfs/dbraw/zinc/36/04/37/304360437.db2.gz XJWTTXLREPAHJX-LSDHHAIUSA-N 1 3 334.464 1.519 20 0 EDADHO CN1CCC(O)(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000355062837 150098040 /nfs/dbraw/zinc/09/80/40/150098040.db2.gz QQZGLPLPSCYTNG-UHFFFAOYSA-N 1 3 326.485 1.052 20 0 EDADHO C[C@@H](O)C[C@@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000355218436 150168707 /nfs/dbraw/zinc/16/87/07/150168707.db2.gz ACYDLJHJQIELOA-HUUCEWRRSA-N 1 3 340.512 1.251 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417027668 304362171 /nfs/dbraw/zinc/36/21/71/304362171.db2.gz UFSXLLSNCLLIRW-QZTJIDSGSA-N 1 3 347.507 1.402 20 0 EDADHO CN(C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356088441 150503808 /nfs/dbraw/zinc/50/38/08/150503808.db2.gz FRVYWNYVCTURMC-SFHVURJKSA-N 1 3 341.459 1.388 20 0 EDADHO CSC1(CNC(=O)NCCC2CC[NH+](C)CC2)CCN(C)CC1 ZINC000357957931 151210281 /nfs/dbraw/zinc/21/02/81/151210281.db2.gz MRRDQNAFUXZROC-UHFFFAOYSA-N 1 3 342.553 1.845 20 0 EDADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111338 151274976 /nfs/dbraw/zinc/27/49/76/151274976.db2.gz LPDUAXKZZKKSQR-JKSUJKDBSA-N 1 3 345.491 1.868 20 0 EDADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111338 151274978 /nfs/dbraw/zinc/27/49/78/151274978.db2.gz LPDUAXKZZKKSQR-JKSUJKDBSA-N 1 3 345.491 1.868 20 0 EDADHO COc1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000360572830 152103817 /nfs/dbraw/zinc/10/38/17/152103817.db2.gz MPVFCOBCPCFYPV-KBPBESRZSA-N 1 3 334.420 1.503 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184907 152328969 /nfs/dbraw/zinc/32/89/69/152328969.db2.gz ZOADWPLQRCHOOY-HOCLYGCPSA-N 1 3 331.460 1.955 20 0 EDADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CN2CCN1CCC2 ZINC000361215084 152337545 /nfs/dbraw/zinc/33/75/45/152337545.db2.gz MHNVVCHTRXMELM-IBGZPJMESA-N 1 3 342.487 1.289 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000361407004 152385549 /nfs/dbraw/zinc/38/55/49/152385549.db2.gz XKEYCVSOKARYAP-DLBZAZTESA-N 1 3 338.496 1.269 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H](Cc2ccccc2)CN(C)C)CCC[NH2+]1 ZINC000417177015 304380579 /nfs/dbraw/zinc/38/05/79/304380579.db2.gz CKSAVCSCTMQSAO-IEBWSBKVSA-N 1 3 348.491 1.227 20 0 EDADHO O[C@H]1CN(Cc2ccccc2C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237979 /nfs/dbraw/zinc/23/79/79/153237979.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1CN(Cc2ccccc2C[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237981 /nfs/dbraw/zinc/23/79/81/153237981.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1C[N@@H+](Cc2ccccc2CN2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237984 /nfs/dbraw/zinc/23/79/84/153237984.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1C[N@H+](Cc2ccccc2CN2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237985 /nfs/dbraw/zinc/23/79/85/153237985.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 1 3 328.456 1.600 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367911873 154322819 /nfs/dbraw/zinc/32/28/19/154322819.db2.gz ZZKPEPSIKGNEIL-AWEZNQCLSA-N 1 3 347.463 1.464 20 0 EDADHO COCCCN1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000369657560 155123158 /nfs/dbraw/zinc/12/31/58/155123158.db2.gz NYJCWGBDPKDQIR-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000417487925 304399934 /nfs/dbraw/zinc/39/99/34/304399934.db2.gz BSCXSPBRKWRCMW-KRWDZBQOSA-N 1 3 334.464 1.309 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523413 304403101 /nfs/dbraw/zinc/40/31/01/304403101.db2.gz HXAZZEMPMPDOEL-QAPCUYQASA-N 1 3 348.491 1.467 20 0 EDADHO CNC(=O)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])Cc1ccc(OC)c(F)c1 ZINC000575401856 306669246 /nfs/dbraw/zinc/66/92/46/306669246.db2.gz PZZFMPNMAVTBNS-OBJOEFQTSA-N 1 3 325.428 1.454 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993485 157708299 /nfs/dbraw/zinc/70/82/99/157708299.db2.gz QHENGELJIBARHF-ROUUACIJSA-N 1 3 331.460 1.756 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378116715 158082700 /nfs/dbraw/zinc/08/27/00/158082700.db2.gz CVRSBLGYCHMJAX-ARFHVFGLSA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000378116715 158082701 /nfs/dbraw/zinc/08/27/01/158082701.db2.gz CVRSBLGYCHMJAX-ARFHVFGLSA-N 1 3 326.485 1.269 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000378215178 158112266 /nfs/dbraw/zinc/11/22/66/158112266.db2.gz SGHSWBKXMCMBIU-UHFFFAOYSA-N 1 3 347.507 1.831 20 0 EDADHO CCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499820 162214822 /nfs/dbraw/zinc/21/48/22/162214822.db2.gz LWMFYBMNIHRZJC-MRXNPFEDSA-N 1 3 339.505 1.901 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418333818 304481937 /nfs/dbraw/zinc/48/19/37/304481937.db2.gz VPMAVHXNQSKDEK-YESZJQIVSA-N 1 3 331.464 1.249 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000237107427 273007800 /nfs/dbraw/zinc/00/78/00/273007800.db2.gz FLVJASFRWZSAND-KRWDZBQOSA-N 1 3 332.492 1.479 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)CNC[C@@H]2CCCO2)c1 ZINC000237201758 267925453 /nfs/dbraw/zinc/92/54/53/267925453.db2.gz ONUCTSKRRVANJF-KRWDZBQOSA-N 1 3 335.448 1.012 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)C1 ZINC000359257055 276247810 /nfs/dbraw/zinc/24/78/10/276247810.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)[C@@H](C)CC)C1 ZINC000359257055 276247811 /nfs/dbraw/zinc/24/78/11/276247811.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697605 277304877 /nfs/dbraw/zinc/30/48/77/277304877.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 1 3 337.508 1.819 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697605 277304878 /nfs/dbraw/zinc/30/48/78/277304878.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)CCOC3C[NH2+]C3)CC2)CC1 ZINC000349026648 277340415 /nfs/dbraw/zinc/34/04/15/277340415.db2.gz KKTHMBJYLJXSEW-UHFFFAOYSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114021138 278971549 /nfs/dbraw/zinc/97/15/49/278971549.db2.gz BIZAZXMVPZPCDQ-HNNXBMFYSA-N 1 3 328.501 1.373 20 0 EDADHO CCN(CC)CC(=O)NC[C@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000337553939 279090313 /nfs/dbraw/zinc/09/03/13/279090313.db2.gz IDMDPSWNFQNLKQ-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO CCN(CC)CC(=O)N1CC[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC000337553939 279090314 /nfs/dbraw/zinc/09/03/14/279090314.db2.gz IDMDPSWNFQNLKQ-SFHVURJKSA-N 1 3 340.512 1.025 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)NCC[NH+](C)C)N(C)C)cc1 ZINC000287891839 288349466 /nfs/dbraw/zinc/34/94/66/288349466.db2.gz GLCWBCJHWLGOPV-KRWDZBQOSA-N 1 3 336.480 1.937 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291872543 289202498 /nfs/dbraw/zinc/20/24/98/289202498.db2.gz IMSPHGANCSOMEV-UYAOXDASSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291872543 289202499 /nfs/dbraw/zinc/20/24/99/289202499.db2.gz IMSPHGANCSOMEV-UYAOXDASSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050455 289248750 /nfs/dbraw/zinc/24/87/50/289248750.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050455 289248752 /nfs/dbraw/zinc/24/87/52/289248752.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 1 3 344.503 1.433 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418553652 304512147 /nfs/dbraw/zinc/51/21/47/304512147.db2.gz CSLXWVRZSMVETJ-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2CN)CCCCCC1 ZINC000418905679 304547800 /nfs/dbraw/zinc/54/78/00/304547800.db2.gz VKCUZIVOMKBMAZ-OAHLLOKOSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000333941985 300142041 /nfs/dbraw/zinc/14/20/41/300142041.db2.gz POWKSLCAGVVKNR-LSDHHAIUSA-N 1 3 340.537 1.727 20 0 EDADHO C[C@H]1COCCN1CCN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344043 /nfs/dbraw/zinc/34/40/43/300344043.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@H]1COCCN1CCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375610358 300344045 /nfs/dbraw/zinc/34/40/45/300344045.db2.gz BXQQUMXHUYTHFQ-WDSOQIARSA-N 1 3 332.492 1.727 20 0 EDADHO C[NH2+]CCCN(C)C(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419640594 447312592 /nfs/dbraw/zinc/31/25/92/447312592.db2.gz DFRIKARQRAZTEG-HNNXBMFYSA-N 1 3 348.491 1.300 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000419952867 304716454 /nfs/dbraw/zinc/71/64/54/304716454.db2.gz KFGGDSFXCWALLH-AWEZNQCLSA-N 1 3 340.512 1.056 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000414870433 447335821 /nfs/dbraw/zinc/33/58/21/447335821.db2.gz MKXGECDUJHUYPF-INIZCTEOSA-N 1 3 344.459 1.289 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423119615 304887683 /nfs/dbraw/zinc/88/76/83/304887683.db2.gz FEAOMUAVLRSIOT-RWMBFGLXSA-N 1 3 331.507 1.617 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423378652 304894017 /nfs/dbraw/zinc/89/40/17/304894017.db2.gz MLMBVWZDLSFZOB-RBSFLKMASA-N 1 3 333.480 1.869 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423725599 304905993 /nfs/dbraw/zinc/90/59/93/304905993.db2.gz JESQOMPWSGUWKL-VQIMIIECSA-N 1 3 333.476 1.897 20 0 EDADHO Cn1cc(C(=O)NC[C@H](N)c2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424078090 304928045 /nfs/dbraw/zinc/92/80/45/304928045.db2.gz PMCLEJIXVASSEA-ZBFHGGJFSA-N 1 3 327.432 1.317 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CCC[C@H]2C[NH3+])CC1 ZINC000430589406 305057493 /nfs/dbraw/zinc/05/74/93/305057493.db2.gz AJGKARNKPIGVSF-IBGZPJMESA-N 1 3 344.503 1.452 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCCC[C@@H]1C ZINC000430747935 305064045 /nfs/dbraw/zinc/06/40/45/305064045.db2.gz NZHSZPOJKOXNSF-KBPBESRZSA-N 1 3 334.468 1.195 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781562 305064942 /nfs/dbraw/zinc/06/49/42/305064942.db2.gz UDDZQRZAUGYCFA-XKGZKEIXSA-N 1 3 345.487 1.782 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781563 305065003 /nfs/dbraw/zinc/06/50/03/305065003.db2.gz UDDZQRZAUGYCFA-YVWKXTFCSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(CC[NH2+]C2)CC1 ZINC000431039981 305073479 /nfs/dbraw/zinc/07/34/79/305073479.db2.gz UHKKNTUHVRQNTJ-CYBMUJFWSA-N 1 3 348.422 1.938 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000433120392 305100928 /nfs/dbraw/zinc/10/09/28/305100928.db2.gz YSYSTWFGKQUEQN-HOTGVXAUSA-N 1 3 346.475 1.553 20 0 EDADHO CCCN(C)CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435572402 305142801 /nfs/dbraw/zinc/14/28/01/305142801.db2.gz FIVOVOOGZIIRAT-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436065227 305152016 /nfs/dbraw/zinc/15/20/16/305152016.db2.gz OQZZBRMXTPRCNG-ZACQAIPSSA-N 1 3 325.497 1.901 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000449331500 305311597 /nfs/dbraw/zinc/31/15/97/305311597.db2.gz ZFRHOYAISKLMHK-VVLHAWIVSA-N 1 3 325.497 1.900 20 0 EDADHO CO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354071 /nfs/dbraw/zinc/35/40/71/305354071.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354072 /nfs/dbraw/zinc/35/40/72/305354072.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354073 /nfs/dbraw/zinc/35/40/73/305354073.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354074 /nfs/dbraw/zinc/35/40/74/305354074.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 1 3 328.497 1.717 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453594094 305408339 /nfs/dbraw/zinc/40/83/39/305408339.db2.gz WKKRZQFFDKVROU-FQEVSTJZSA-N 1 3 344.503 1.977 20 0 EDADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000495075404 305635322 /nfs/dbraw/zinc/63/53/22/305635322.db2.gz QSRZTYPATHRDAQ-QGZVFWFLSA-N 1 3 345.491 1.241 20 0 EDADHO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)n(C2CCN(C)CC2)n1 ZINC000520369175 305778738 /nfs/dbraw/zinc/77/87/38/305778738.db2.gz BXTKHRSWWJVRRG-KRWDZBQOSA-N 1 3 334.468 1.707 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000414935288 447363742 /nfs/dbraw/zinc/36/37/42/447363742.db2.gz VHEGQKNXBRHCBW-HNNXBMFYSA-N 1 3 330.432 1.041 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000536553782 306022333 /nfs/dbraw/zinc/02/23/33/306022333.db2.gz JXFYSBFIQQZAOM-DLBZAZTESA-N 1 3 339.528 1.138 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590933 306093772 /nfs/dbraw/zinc/09/37/72/306093772.db2.gz BCFSNNJUMINBNM-IBGZPJMESA-N 1 3 346.475 1.148 20 0 EDADHO C[C@@H](C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493960438 447420420 /nfs/dbraw/zinc/42/04/20/447420420.db2.gz LWVLHPUCODTOJW-VNHYZAJKSA-N 1 3 332.448 1.306 20 0 EDADHO C[C@H](CCNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000458648632 447437613 /nfs/dbraw/zinc/43/76/13/447437613.db2.gz MFVJQZYDYUOKLM-SJORKVTESA-N 1 3 340.512 1.397 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080880274 441202968 /nfs/dbraw/zinc/20/29/68/441202968.db2.gz ZYZRYUOMOSBFRF-GOSISDBHSA-N 1 3 345.487 1.472 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080880274 441202974 /nfs/dbraw/zinc/20/29/74/441202974.db2.gz ZYZRYUOMOSBFRF-GOSISDBHSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000378527259 447439816 /nfs/dbraw/zinc/43/98/16/447439816.db2.gz ULZBOVPUJXLQRY-LSDHHAIUSA-N 1 3 325.497 1.865 20 0 EDADHO COc1ccc(CCNC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000066245619 441516090 /nfs/dbraw/zinc/51/60/90/441516090.db2.gz HLXSJZUBAXXHKY-INIZCTEOSA-N 1 3 347.507 1.235 20 0 EDADHO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000139467530 441818399 /nfs/dbraw/zinc/81/83/99/441818399.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO C[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000139467530 441818405 /nfs/dbraw/zinc/81/84/05/441818405.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 1 3 330.476 1.998 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000159343173 441804758 /nfs/dbraw/zinc/80/47/58/441804758.db2.gz NVMXYTRJLKJXMM-QUCCMNQESA-N 1 3 330.520 1.734 20 0 EDADHO C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C1CC1 ZINC000077593416 441810806 /nfs/dbraw/zinc/81/08/06/441810806.db2.gz YARFJHHFMXRIPA-LSDHHAIUSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000127328226 442193760 /nfs/dbraw/zinc/19/37/60/442193760.db2.gz RKLKTDPQFYPMCS-ZWKOTPCHSA-N 1 3 348.535 1.914 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000176339187 442211477 /nfs/dbraw/zinc/21/14/77/442211477.db2.gz NKCFPOXEAJJJCL-IKGGRYGDSA-N 1 3 339.528 1.042 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000167232511 442219765 /nfs/dbraw/zinc/21/97/65/442219765.db2.gz KOSNSVMTUWZCRZ-QGZVFWFLSA-N 1 3 335.448 1.012 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171356318 442343086 /nfs/dbraw/zinc/34/30/86/442343086.db2.gz NKJCZWADRRAWRF-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000130420308 442346249 /nfs/dbraw/zinc/34/62/49/442346249.db2.gz XYNKCDHBULZGCJ-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221108 442315119 /nfs/dbraw/zinc/31/51/19/442315119.db2.gz NGZGEEOETQHASF-HZPDHXFCSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221108 442315122 /nfs/dbraw/zinc/31/51/22/442315122.db2.gz NGZGEEOETQHASF-HZPDHXFCSA-N 1 3 335.492 1.763 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCCCC2)[C@H](C)C1 ZINC000178022127 442402376 /nfs/dbraw/zinc/40/23/76/442402376.db2.gz YWHRQCBGDYLNGH-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CCCN1CCC([NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000133816840 442435253 /nfs/dbraw/zinc/43/52/53/442435253.db2.gz OIVKNUOBCURQOI-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO CC[C@]1(C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CCC[NH2+]1 ZINC000134584144 442497508 /nfs/dbraw/zinc/49/75/08/442497508.db2.gz UCIMCUOZQRNJQB-GPMSIDNRSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)NC1CCN(C2CC2)CC1 ZINC000157156087 442554602 /nfs/dbraw/zinc/55/46/02/442554602.db2.gz CYFDVTKBPBCDRW-GOSISDBHSA-N 1 3 348.535 1.680 20 0 EDADHO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1C[C@H](F)CN1 ZINC000188762634 442807061 /nfs/dbraw/zinc/80/70/61/442807061.db2.gz NWXXDOFKWIEZGW-KSZLIROESA-N 1 3 349.450 1.248 20 0 EDADHO CC(C)OCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183315430 442921955 /nfs/dbraw/zinc/92/19/55/442921955.db2.gz PLDZBQVOHODJDT-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000194939185 442970274 /nfs/dbraw/zinc/97/02/74/442970274.db2.gz JVFLIQRELSGXLB-SWLSCSKDSA-N 1 3 329.366 1.904 20 0 EDADHO CC(C)[C@@H](CNC(=O)CNC[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236726663 443145323 /nfs/dbraw/zinc/14/53/23/443145323.db2.gz JCBKWYXUWVTMBG-DLBZAZTESA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261863985 443172657 /nfs/dbraw/zinc/17/26/57/443172657.db2.gz SLNWKBNDMVPMAG-NUJGCVRESA-N 1 3 337.508 1.853 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261863985 443172662 /nfs/dbraw/zinc/17/26/62/443172662.db2.gz SLNWKBNDMVPMAG-NUJGCVRESA-N 1 3 337.508 1.853 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321348 443190596 /nfs/dbraw/zinc/19/05/96/443190596.db2.gz RJZGZGFYMZBHDZ-IYBDPMFKSA-N 1 3 333.480 1.341 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000236938349 443151925 /nfs/dbraw/zinc/15/19/25/443151925.db2.gz HOMYMZKAAOJIHL-CVEARBPZSA-N 1 3 325.497 1.772 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000236938349 443151928 /nfs/dbraw/zinc/15/19/28/443151928.db2.gz HOMYMZKAAOJIHL-CVEARBPZSA-N 1 3 325.497 1.772 20 0 EDADHO C[C@H](C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1)C1C[NH2+]C1 ZINC000262473736 443196071 /nfs/dbraw/zinc/19/60/71/443196071.db2.gz YNYZTPWKGYFCFS-DZGCQCFKSA-N 1 3 344.459 1.178 20 0 EDADHO C[NH2+][C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000269141899 443211799 /nfs/dbraw/zinc/21/17/99/443211799.db2.gz WMEGPEPZDUUAJC-KRWDZBQOSA-N 1 3 330.476 1.327 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000262899232 443215702 /nfs/dbraw/zinc/21/57/02/443215702.db2.gz PITCDUWHQHRJIE-JQHSSLGASA-N 1 3 333.476 1.862 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752250 319124965 /nfs/dbraw/zinc/12/49/65/319124965.db2.gz CSMHBHTXFIEARZ-QGZVFWFLSA-N 1 3 345.487 1.878 20 0 EDADHO CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000414676621 319340140 /nfs/dbraw/zinc/34/01/40/319340140.db2.gz VQFKLLBTFBVLPG-UHFFFAOYSA-N 1 3 344.459 1.467 20 0 EDADHO CCCCN(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415244363 319356344 /nfs/dbraw/zinc/35/63/44/319356344.db2.gz XUHQOHPOTFQNGX-ZIAGYGMSSA-N 1 3 334.464 1.881 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1CN(C)C ZINC000415808127 319371154 /nfs/dbraw/zinc/37/11/54/319371154.db2.gz SECNYUXUZAEZSL-INIZCTEOSA-N 1 3 346.475 1.644 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000415969435 319386021 /nfs/dbraw/zinc/38/60/21/319386021.db2.gz GUGUICDRBPGVQP-JKSUJKDBSA-N 1 3 330.432 1.917 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415969435 319386025 /nfs/dbraw/zinc/38/60/25/319386025.db2.gz GUGUICDRBPGVQP-JKSUJKDBSA-N 1 3 330.432 1.917 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269272740 443261391 /nfs/dbraw/zinc/26/13/91/443261391.db2.gz UFIYKIPIYXGPAW-NXHRZFHOSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CNCCO1 ZINC000269272740 443261396 /nfs/dbraw/zinc/26/13/96/443261396.db2.gz UFIYKIPIYXGPAW-NXHRZFHOSA-N 1 3 331.460 1.392 20 0 EDADHO CN(C)C1(CNC(=O)[C@H](C[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000269278702 443264571 /nfs/dbraw/zinc/26/45/71/443264571.db2.gz ZAKYSNZKXLKMGV-LJQANCHMSA-N 1 3 337.467 1.944 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416837033 319465815 /nfs/dbraw/zinc/46/58/15/319465815.db2.gz HHVFNGFMVCDFNZ-MSOLQXFVSA-N 1 3 347.507 1.272 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000417329904 319492156 /nfs/dbraw/zinc/49/21/56/319492156.db2.gz KEDGTZYOOVNLFG-UHFFFAOYSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278992343 443483718 /nfs/dbraw/zinc/48/37/18/443483718.db2.gz LEVFSOHPJSNQEM-HZPDHXFCSA-N 1 3 341.459 1.389 20 0 EDADHO COc1ccc(C[C@](C)(O)CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423136152 319752411 /nfs/dbraw/zinc/75/24/11/319752411.db2.gz GYVRQPHWSBDQSA-IEBWDACRSA-N 1 3 334.460 1.870 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423403712 319771563 /nfs/dbraw/zinc/77/15/63/319771563.db2.gz XDXCWLXMWACYKR-QAPCUYQASA-N 1 3 331.485 1.968 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423419432 319773346 /nfs/dbraw/zinc/77/33/46/319773346.db2.gz WCYNRAAPBMXGIZ-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO CN(C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265392287 443626735 /nfs/dbraw/zinc/62/67/35/443626735.db2.gz MJYKSFBLZOHZFG-UHFFFAOYSA-N 1 3 346.475 1.331 20 0 EDADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000430929379 319935563 /nfs/dbraw/zinc/93/55/63/319935563.db2.gz WFQCOXGKXCHHBW-KRWDZBQOSA-N 1 3 344.503 1.390 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444271957 320124208 /nfs/dbraw/zinc/12/42/08/320124208.db2.gz UWCAZJZDKFYBMY-UYAOXDASSA-N 1 3 342.487 1.762 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCCN1CCO ZINC000452389916 320249112 /nfs/dbraw/zinc/24/91/12/320249112.db2.gz NBVXURYSIGSCJN-MRXNPFEDSA-N 1 3 349.475 1.204 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596592 320337745 /nfs/dbraw/zinc/33/77/45/320337745.db2.gz OFPGSSHPCXRLOD-KRWDZBQOSA-N 1 3 339.528 1.137 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458787251 320341316 /nfs/dbraw/zinc/34/13/16/320341316.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458787251 320341317 /nfs/dbraw/zinc/34/13/17/320341317.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 1 3 328.501 1.253 20 0 EDADHO COc1ccccc1-c1ncc(CNCC2(O)CC[NH+](C)CC2)cn1 ZINC000491376742 320369688 /nfs/dbraw/zinc/36/96/88/320369688.db2.gz RQVVUHHDJXULOC-UHFFFAOYSA-N 1 3 342.443 1.699 20 0 EDADHO C[N@H+](CCCN1CCCC1)CCC(=O)NC(=O)NCc1ccccc1 ZINC000281511669 443931363 /nfs/dbraw/zinc/93/13/63/443931363.db2.gz YSWXHFSNEXWNFE-UHFFFAOYSA-N 1 3 346.475 1.820 20 0 EDADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NC(=O)NCc1ccccc1 ZINC000281511669 443931366 /nfs/dbraw/zinc/93/13/66/443931366.db2.gz YSWXHFSNEXWNFE-UHFFFAOYSA-N 1 3 346.475 1.820 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCn3cccn3)CC2)CC1 ZINC000561135889 321034321 /nfs/dbraw/zinc/03/43/21/321034321.db2.gz WJLQIOIKQWFTPY-UHFFFAOYSA-N 1 3 347.507 1.586 20 0 EDADHO CN(C)CCn1c2cc(NC[C@H](O)C[N@H+](C)C3CC3)ccc2oc1=O ZINC000564863130 321153077 /nfs/dbraw/zinc/15/30/77/321153077.db2.gz IFNKGTOIWRHARO-HNNXBMFYSA-N 1 3 348.447 1.023 20 0 EDADHO CN(C)CCn1c2cc(NC[C@H](O)C[N@@H+](C)C3CC3)ccc2oc1=O ZINC000564863130 321153079 /nfs/dbraw/zinc/15/30/79/321153079.db2.gz IFNKGTOIWRHARO-HNNXBMFYSA-N 1 3 348.447 1.023 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCO[C@H](C)C3)CC2)CC1 ZINC000565192004 321176425 /nfs/dbraw/zinc/17/64/25/321176425.db2.gz MJRRVLISMRXGNF-WBVHZDCISA-N 1 3 337.508 1.866 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000565226938 321176729 /nfs/dbraw/zinc/17/67/29/321176729.db2.gz PKRKFAKANUVILH-YJBOKZPZSA-N 1 3 330.476 1.949 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692473 321253240 /nfs/dbraw/zinc/25/32/40/321253240.db2.gz UULWZXSSHQAZSW-GOSISDBHSA-N 1 3 345.487 1.779 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000568382011 321288918 /nfs/dbraw/zinc/28/89/18/321288918.db2.gz HUXYKKVBKCFION-SFHVURJKSA-N 1 3 327.513 1.311 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000569927878 321332155 /nfs/dbraw/zinc/33/21/55/321332155.db2.gz OQVIIXCCVBISDG-RRFJBIMHSA-N 1 3 340.512 1.245 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000571743674 321399367 /nfs/dbraw/zinc/39/93/67/321399367.db2.gz MYHPZRVPXTZCNP-HZPDHXFCSA-N 1 3 348.495 1.831 20 0 EDADHO C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289532970 444165951 /nfs/dbraw/zinc/16/59/51/444165951.db2.gz QANHKAZBLZYSDO-DSLXNQLJSA-N 1 3 341.459 1.718 20 0 EDADHO CCCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000289903857 444217684 /nfs/dbraw/zinc/21/76/84/444217684.db2.gz JFTRSFOGIBEKFW-QZTJIDSGSA-N 1 3 333.476 1.863 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290311180 444265466 /nfs/dbraw/zinc/26/54/66/444265466.db2.gz GBDHZMSNQYGKKQ-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000290311180 444265469 /nfs/dbraw/zinc/26/54/69/444265469.db2.gz GBDHZMSNQYGKKQ-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO CCC(C)(C)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268822 444235661 /nfs/dbraw/zinc/23/56/61/444235661.db2.gz JBHXIKLMDLRQEV-LSDHHAIUSA-N 1 3 327.513 1.704 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C[C@H](O)c3cccnc3)CC2)C[C@@H](C)O1 ZINC000297103849 444274771 /nfs/dbraw/zinc/27/47/71/444274771.db2.gz LIOVQGYTFNNXDO-MDZRGWNJSA-N 1 3 333.476 1.936 20 0 EDADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCC[C@@H]1CO ZINC000305755174 444277782 /nfs/dbraw/zinc/27/77/82/444277782.db2.gz AKKZATGDOVVRCE-BZUAXINKSA-N 1 3 332.510 1.169 20 0 EDADHO CCOC1CC(O)(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004849 321704921 /nfs/dbraw/zinc/70/49/21/321704921.db2.gz AVAYRFPNOHZSAL-CGKCLMIXSA-N 1 3 332.444 1.762 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000580711581 322085633 /nfs/dbraw/zinc/08/56/33/322085633.db2.gz IHJRLZBEKZSPRL-UHOSZYNNSA-N 1 3 344.503 1.479 20 0 EDADHO CCS(=O)(=O)c1ccc(N2CCC(NCC(C)(C)[NH3+])CC2)cc1 ZINC000580714808 322086541 /nfs/dbraw/zinc/08/65/41/322086541.db2.gz ISDYSQPFAOCQNL-UHFFFAOYSA-N 1 3 339.505 1.776 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000580785613 322096162 /nfs/dbraw/zinc/09/61/62/322096162.db2.gz HTVHPJBNYMULTH-AWEZNQCLSA-N 1 3 342.447 1.192 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@@H]1CCCN(C)C1 ZINC000581308415 322162213 /nfs/dbraw/zinc/16/22/13/322162213.db2.gz MUGLZWFASDUUDO-QGZVFWFLSA-N 1 3 346.475 1.920 20 0 EDADHO CCC(CC)(CO)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000581616530 322200195 /nfs/dbraw/zinc/20/01/95/322200195.db2.gz PQSUAJLTPXYIRG-UHFFFAOYSA-N 1 3 325.497 1.460 20 0 EDADHO CC[NH+](CC)CCOC1CCN([C@H](C)CN2CCOCC2)CC1 ZINC000340878974 444555817 /nfs/dbraw/zinc/55/58/17/444555817.db2.gz SYQNXTZTJPYEPJ-QGZVFWFLSA-N 1 3 327.513 1.530 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCN1C ZINC000343823108 444611892 /nfs/dbraw/zinc/61/18/92/444611892.db2.gz SZWWIACZCNBNGC-VYDXJSESSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343920790 444670449 /nfs/dbraw/zinc/67/04/49/444670449.db2.gz ILQWYWQMGSAJKP-GGPKGHCWSA-N 1 3 347.503 1.384 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC000343920790 444670453 /nfs/dbraw/zinc/67/04/53/444670453.db2.gz ILQWYWQMGSAJKP-GGPKGHCWSA-N 1 3 347.503 1.384 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341098235 444672997 /nfs/dbraw/zinc/67/29/97/444672997.db2.gz YRJCNDQZOJVUFS-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000341098235 444673000 /nfs/dbraw/zinc/67/30/00/444673000.db2.gz YRJCNDQZOJVUFS-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+](CCNC(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC000341105068 444676537 /nfs/dbraw/zinc/67/65/37/444676537.db2.gz FMOBZGJHJSTAGN-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+](CCNC(=O)NCC(C)(C)N1CCC(OC)CC1)C1CC1 ZINC000341105068 444676540 /nfs/dbraw/zinc/67/65/40/444676540.db2.gz FMOBZGJHJSTAGN-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333946310 444726036 /nfs/dbraw/zinc/72/60/36/444726036.db2.gz UMRFRCAUMNEWGD-ZNMIVQPWSA-N 1 3 326.485 1.031 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333946310 444726043 /nfs/dbraw/zinc/72/60/43/444726043.db2.gz UMRFRCAUMNEWGD-ZNMIVQPWSA-N 1 3 326.485 1.031 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)CN1 ZINC000333660427 444689015 /nfs/dbraw/zinc/68/90/15/444689015.db2.gz LMAANGNMDZYWFW-YQYZPQCESA-N 1 3 348.466 1.911 20 0 EDADHO Cc1ccc(C[NH2+]C[C@H](O)CN2CCCC2)c(-c2ccnn2C)c1 ZINC000338438553 444696115 /nfs/dbraw/zinc/69/61/15/444696115.db2.gz RHXOTDOLPGXMMX-KRWDZBQOSA-N 1 3 328.460 1.942 20 0 EDADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@H]2CCCO[C@H]21 ZINC000344128799 444797326 /nfs/dbraw/zinc/79/73/26/444797326.db2.gz IWFRDJFRSRETCZ-KZNAEPCWSA-N 1 3 339.524 1.170 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000342898558 444928006 /nfs/dbraw/zinc/92/80/06/444928006.db2.gz BRTFCLXRYXVZEA-OAHLLOKOSA-N 1 3 325.478 1.640 20 0 EDADHO CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000342949188 444959867 /nfs/dbraw/zinc/95/98/67/444959867.db2.gz BWAUONCEXMJLLS-ROUUACIJSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000342949188 444959872 /nfs/dbraw/zinc/95/98/72/444959872.db2.gz BWAUONCEXMJLLS-ROUUACIJSA-N 1 3 339.524 1.850 20 0 EDADHO CC(C)[C@H](CNC(=O)NCCC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000339410879 445136551 /nfs/dbraw/zinc/13/65/51/445136551.db2.gz YNWFOINZARZFAZ-KRWDZBQOSA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127290 /nfs/dbraw/zinc/12/72/90/445127290.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127293 /nfs/dbraw/zinc/12/72/93/445127293.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CN2CCN1CCC2)c1ccccc1 ZINC000343265660 445168517 /nfs/dbraw/zinc/16/85/17/445168517.db2.gz FCLLBKFNFKIFGM-WMZOPIPTSA-N 1 3 344.503 1.622 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342116759 445180677 /nfs/dbraw/zinc/18/06/77/445180677.db2.gz YQXFDBIRBSEJDZ-CWRNSKLLSA-N 1 3 330.432 1.173 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000339550138 445149156 /nfs/dbraw/zinc/14/91/56/445149156.db2.gz ZOOVXCVQXOGVJJ-OIISXLGYSA-N 1 3 334.508 1.985 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000339582065 445151105 /nfs/dbraw/zinc/15/11/05/445151105.db2.gz NNYTYAIRUGTJIM-YJBOKZPZSA-N 1 3 340.512 1.071 20 0 EDADHO CCn1nc(C)c([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1C ZINC000346065868 445205672 /nfs/dbraw/zinc/20/56/72/445205672.db2.gz KDLOWWPERUVWHN-CZUORRHYSA-N 1 3 335.496 1.758 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000354529290 445281314 /nfs/dbraw/zinc/28/13/14/445281314.db2.gz FELZRDGWQCLBNA-HUUCEWRRSA-N 1 3 333.480 1.856 20 0 EDADHO CN1CC[NH+](CC2(C)CCN([C@@H]3CCN(C4CC4)C3=O)CC2)CC1 ZINC000348850871 445415511 /nfs/dbraw/zinc/41/55/11/445415511.db2.gz WCHWSIDIVJMTSO-QGZVFWFLSA-N 1 3 334.508 1.099 20 0 EDADHO COCCN(C)c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357046085 445392409 /nfs/dbraw/zinc/39/24/09/445392409.db2.gz IJXAAJZCCLYCGC-GOSISDBHSA-N 1 3 332.492 1.986 20 0 EDADHO Cc1ccc(NC(=O)NC[C@H]2CCCN(CCOCC[NH3+])C2)cc1 ZINC000357110467 445434254 /nfs/dbraw/zinc/43/42/54/445434254.db2.gz XLWONDCJINXYEH-MRXNPFEDSA-N 1 3 334.464 1.804 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923135 445611706 /nfs/dbraw/zinc/61/17/06/445611706.db2.gz QRUXYLCXKPAXQX-AWEZNQCLSA-N 1 3 332.423 1.984 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358515739 445627875 /nfs/dbraw/zinc/62/78/75/445627875.db2.gz AUVLPOAPLMBFBG-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353430124 445598382 /nfs/dbraw/zinc/59/83/82/445598382.db2.gz RBWRCAWPRSDXIG-CVEARBPZSA-N 1 3 325.497 1.626 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)N(C)C)cc1 ZINC000358691346 445719756 /nfs/dbraw/zinc/71/97/56/445719756.db2.gz YPJHNBITPRZXAR-HKUYNNGSSA-N 1 3 348.491 1.218 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)N(C)C)cc1 ZINC000358691346 445719760 /nfs/dbraw/zinc/71/97/60/445719760.db2.gz YPJHNBITPRZXAR-HKUYNNGSSA-N 1 3 348.491 1.218 20 0 EDADHO CC(C)OCC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851565 445699225 /nfs/dbraw/zinc/69/92/25/445699225.db2.gz HPLUNODISZZKKD-FUHWJXTLSA-N 1 3 327.513 1.263 20 0 EDADHO COc1cccc(C[C@@H](C)NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000353668461 445699612 /nfs/dbraw/zinc/69/96/12/445699612.db2.gz GFVRALITSKEYMV-MRXNPFEDSA-N 1 3 348.491 1.603 20 0 EDADHO CC[N@H+](CCC1CCN(CCN2C(=O)CNC2=O)CC1)CC(C)C ZINC000358737512 445750955 /nfs/dbraw/zinc/75/09/55/445750955.db2.gz ASKDWEZGLSLCFB-UHFFFAOYSA-N 1 3 338.496 1.618 20 0 EDADHO CC[N@@H+](CCC1CCN(CCN2C(=O)CNC2=O)CC1)CC(C)C ZINC000358737512 445750959 /nfs/dbraw/zinc/75/09/59/445750959.db2.gz ASKDWEZGLSLCFB-UHFFFAOYSA-N 1 3 338.496 1.618 20 0 EDADHO CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363556645 445857151 /nfs/dbraw/zinc/85/71/51/445857151.db2.gz CFJUNOSNIUCRCD-SFHVURJKSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@H+]1CCC[C@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363556645 445857154 /nfs/dbraw/zinc/85/71/54/445857154.db2.gz CFJUNOSNIUCRCD-SFHVURJKSA-N 1 3 330.476 1.894 20 0 EDADHO CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000356577004 445868060 /nfs/dbraw/zinc/86/80/60/445868060.db2.gz JZXCGNSNKIDSIO-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365921981 445907818 /nfs/dbraw/zinc/90/78/18/445907818.db2.gz CUZGYARCSDGNTB-QZWWFDLISA-N 1 3 336.480 1.118 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000365921981 445907822 /nfs/dbraw/zinc/90/78/22/445907822.db2.gz CUZGYARCSDGNTB-QZWWFDLISA-N 1 3 336.480 1.118 20 0 EDADHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000366108668 446017608 /nfs/dbraw/zinc/01/76/08/446017608.db2.gz MSYOKRZJAQLOBA-QZTJIDSGSA-N 1 3 327.513 1.264 20 0 EDADHO CCCCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000366108668 446017613 /nfs/dbraw/zinc/01/76/13/446017613.db2.gz MSYOKRZJAQLOBA-QZTJIDSGSA-N 1 3 327.513 1.264 20 0 EDADHO [NH3+][C@H]1C[C@@H](C(=O)NCCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000582907467 325956916 /nfs/dbraw/zinc/95/69/16/325956916.db2.gz HXSQQFHMPZTGKV-HDICACEKSA-N 1 3 345.487 1.911 20 0 EDADHO C[N@@H+]1CC[C@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)[C@H]2C1 ZINC000373120525 446043572 /nfs/dbraw/zinc/04/35/72/446043572.db2.gz GGHCVWBJVBQFOA-IRXDYDNUSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CC[C@H]2CCN(C(=O)CC3(N4CCOCC4)CCCC3)[C@H]2C1 ZINC000373120525 446043580 /nfs/dbraw/zinc/04/35/80/446043580.db2.gz GGHCVWBJVBQFOA-IRXDYDNUSA-N 1 3 335.492 1.574 20 0 EDADHO CO[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000359229044 446059101 /nfs/dbraw/zinc/05/91/01/446059101.db2.gz HOUHRTRHJQROON-QZTJIDSGSA-N 1 3 331.460 1.861 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654412 446139123 /nfs/dbraw/zinc/13/91/23/446139123.db2.gz LIVCSTXTOOFYHB-GDBMZVCRSA-N 1 3 348.495 2.000 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000369654412 446139129 /nfs/dbraw/zinc/13/91/29/446139129.db2.gz LIVCSTXTOOFYHB-GDBMZVCRSA-N 1 3 348.495 2.000 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000369402804 446117289 /nfs/dbraw/zinc/11/72/89/446117289.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000369402804 446117293 /nfs/dbraw/zinc/11/72/93/446117293.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 1 3 338.496 1.269 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000370300123 446221337 /nfs/dbraw/zinc/22/13/37/446221337.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000370300123 446221342 /nfs/dbraw/zinc/22/13/42/446221342.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417328224 446344816 /nfs/dbraw/zinc/34/48/16/446344816.db2.gz IFHNACZDOZDBSL-KRWDZBQOSA-N 1 3 348.491 1.944 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000417370866 446350579 /nfs/dbraw/zinc/35/05/79/446350579.db2.gz USQRKVFNUXIRKI-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C[C@H]1[NH3+] ZINC000417527979 446361357 /nfs/dbraw/zinc/36/13/57/446361357.db2.gz OQEZBZKAOQBSLH-WMLDXEAASA-N 1 3 334.464 1.158 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417562482 446365553 /nfs/dbraw/zinc/36/55/53/446365553.db2.gz FZCYTWYPNUCLGC-KRWDZBQOSA-N 1 3 340.512 1.709 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000370675675 446382758 /nfs/dbraw/zinc/38/27/58/446382758.db2.gz DEGYIULTLOSJDM-AKHDSKFASA-N 1 3 339.524 1.312 20 0 EDADHO C[NH2+]C[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000420279884 446448322 /nfs/dbraw/zinc/44/83/22/446448322.db2.gz XQHRJRFDGLYOAW-AEFFLSMTSA-N 1 3 332.492 1.337 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994768 446410108 /nfs/dbraw/zinc/41/01/08/446410108.db2.gz YZXGHHHCVOFNCB-TZMCWYRMSA-N 1 3 328.407 1.789 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418008206 446413992 /nfs/dbraw/zinc/41/39/92/446413992.db2.gz GWOGXPHYBQLTQK-YSHGAJCASA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418009184 446414545 /nfs/dbraw/zinc/41/45/45/446414545.db2.gz HVSHWWFTDDHKKI-UBDQQSCGSA-N 1 3 330.476 1.934 20 0 EDADHO CSc1ccc([C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)N(C)C)cc1 ZINC000418227923 446465145 /nfs/dbraw/zinc/46/51/45/446465145.db2.gz DDKYEKVNFCRLER-RCBQFDQVSA-N 1 3 336.505 2.000 20 0 EDADHO CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC2 ZINC000420304917 446468350 /nfs/dbraw/zinc/46/83/50/446468350.db2.gz OXVUKLSYHQYNNU-INDMIFKZSA-N 1 3 348.487 1.169 20 0 EDADHO CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420311964 446474860 /nfs/dbraw/zinc/47/48/60/446474860.db2.gz WMOBQHSPFJBSRD-FHWLQOOXSA-N 1 3 347.503 1.546 20 0 EDADHO CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420311964 446474866 /nfs/dbraw/zinc/47/48/66/446474866.db2.gz WMOBQHSPFJBSRD-FHWLQOOXSA-N 1 3 347.503 1.546 20 0 EDADHO CCCCNC(=O)[C@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420311964 446474872 /nfs/dbraw/zinc/47/48/72/446474872.db2.gz WMOBQHSPFJBSRD-FHWLQOOXSA-N 1 3 347.503 1.546 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302618 446479923 /nfs/dbraw/zinc/47/99/23/446479923.db2.gz VWVBPJIEJULEIC-RDJZCZTQSA-N 1 3 341.459 1.909 20 0 EDADHO Cc1nc2c(cnn2C)c(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420317384 446483809 /nfs/dbraw/zinc/48/38/09/446483809.db2.gz MWZSMPUCNYLALT-OAHLLOKOSA-N 1 3 343.479 1.183 20 0 EDADHO Cc1cccc(NC(=O)NC(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420324639 446491765 /nfs/dbraw/zinc/49/17/65/446491765.db2.gz AVUGIYGICDRKKC-IYBDPMFKSA-N 1 3 344.459 1.883 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000420341862 446514237 /nfs/dbraw/zinc/51/42/37/446514237.db2.gz QLXNFLRYLIIHGL-RCCFBDPRSA-N 1 3 330.476 1.089 20 0 EDADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000420328374 446497406 /nfs/dbraw/zinc/49/74/06/446497406.db2.gz MIFJKGNEDMUIAP-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000420328374 446497411 /nfs/dbraw/zinc/49/74/11/446497411.db2.gz MIFJKGNEDMUIAP-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000420328374 446497416 /nfs/dbraw/zinc/49/74/16/446497416.db2.gz MIFJKGNEDMUIAP-CQSZACIVSA-N 1 3 335.423 1.842 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418487778 446562729 /nfs/dbraw/zinc/56/27/29/446562729.db2.gz JFAFJXHKRGSSIO-YKDOHLLJSA-N 1 3 338.496 1.038 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418368558 446517156 /nfs/dbraw/zinc/51/71/56/446517156.db2.gz MVNYEDJAWVOWGS-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000418388124 446524163 /nfs/dbraw/zinc/52/41/63/446524163.db2.gz POLKZWWFTQVAKB-IRXDYDNUSA-N 1 3 333.480 1.528 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)CN ZINC000420348763 446525995 /nfs/dbraw/zinc/52/59/95/446525995.db2.gz AVPGPOXLOBDCNK-SNVBAGLBSA-N 1 3 330.226 1.029 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)CN ZINC000420348763 446525996 /nfs/dbraw/zinc/52/59/96/446525996.db2.gz AVPGPOXLOBDCNK-SNVBAGLBSA-N 1 3 330.226 1.029 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1Cc1ccccc1 ZINC000423434988 446536525 /nfs/dbraw/zinc/53/65/25/446536525.db2.gz KZIUAIJSNHUNLW-ZBFHGGJFSA-N 1 3 342.447 1.020 20 0 EDADHO COC(=O)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357977 446538527 /nfs/dbraw/zinc/53/85/27/446538527.db2.gz IJXPECDPUCXDPA-HOTGVXAUSA-N 1 3 331.460 1.983 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000423503512 446556660 /nfs/dbraw/zinc/55/66/60/446556660.db2.gz FWGROLKTBHXKDG-LRDDRELGSA-N 1 3 325.478 1.763 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418617111 446617501 /nfs/dbraw/zinc/61/75/01/446617501.db2.gz ZFHBKJJEXRJYJL-KMFMINBZSA-N 1 3 334.464 1.738 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376632368 446618223 /nfs/dbraw/zinc/61/82/23/446618223.db2.gz MCJILUOEWDVIMQ-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000418501515 446569154 /nfs/dbraw/zinc/56/91/54/446569154.db2.gz RKZSRWRQUQCWMT-QGZVFWFLSA-N 1 3 334.464 1.506 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000418513544 446574200 /nfs/dbraw/zinc/57/42/00/446574200.db2.gz GFGAHMRUMQBBHJ-QGZVFWFLSA-N 1 3 348.491 1.987 20 0 EDADHO O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1CCN(C2CC2)CC1 ZINC000420406535 446580178 /nfs/dbraw/zinc/58/01/78/446580178.db2.gz UMXRSDJOKFKZNQ-MAUKXSAKSA-N 1 3 334.508 1.193 20 0 EDADHO Cc1ccc(CCN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405979 446580694 /nfs/dbraw/zinc/58/06/94/446580694.db2.gz QFRBQHOJRBAGMD-RBUKOAKNSA-N 1 3 342.487 1.758 20 0 EDADHO CN1CC[C@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412183 446586197 /nfs/dbraw/zinc/58/61/97/446586197.db2.gz SFAGLULTZJMERI-TUFLPTIASA-N 1 3 339.483 1.952 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418659386 446639266 /nfs/dbraw/zinc/63/92/66/446639266.db2.gz XHXJJRJPAUJDNC-WMZOPIPTSA-N 1 3 348.491 1.395 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376678100 446646628 /nfs/dbraw/zinc/64/66/28/446646628.db2.gz GWTAMDPAFFPBJD-KSZLIROESA-N 1 3 345.491 1.858 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376678100 446646631 /nfs/dbraw/zinc/64/66/31/446646631.db2.gz GWTAMDPAFFPBJD-KSZLIROESA-N 1 3 345.491 1.858 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418633314 446625318 /nfs/dbraw/zinc/62/53/18/446625318.db2.gz DDEGLKIMROWEBS-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423755365 446685798 /nfs/dbraw/zinc/68/57/98/446685798.db2.gz HPXZOMVZSKQGJD-HZPDHXFCSA-N 1 3 339.480 1.285 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830437 446719723 /nfs/dbraw/zinc/71/97/23/446719723.db2.gz ASMMXPDKNXQVLI-GOEBONIOSA-N 1 3 341.459 1.737 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368165722 446681099 /nfs/dbraw/zinc/68/10/99/446681099.db2.gz SKUXHHUWHCNXFN-PBHICJAKSA-N 1 3 331.476 1.672 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000418957348 446826994 /nfs/dbraw/zinc/82/69/94/446826994.db2.gz DNNCTTICLVMDMX-OOHWJJMZSA-N 1 3 346.475 1.009 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC2CCC([NH+](C)C)CC2)CCSC1 ZINC000420817228 446839717 /nfs/dbraw/zinc/83/97/17/446839717.db2.gz ZEYUIIURKHFMRN-ZBCRRDGASA-N 1 3 328.526 1.596 20 0 EDADHO C[C@H]1CN(CCC(=O)NC2CCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371692411 446948575 /nfs/dbraw/zinc/94/85/75/446948575.db2.gz JAZRUJHXRWYKPF-INIZCTEOSA-N 1 3 336.524 1.536 20 0 EDADHO C[C@H]1CN(CCC(=O)NC2CCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000371692411 446948580 /nfs/dbraw/zinc/94/85/80/446948580.db2.gz JAZRUJHXRWYKPF-INIZCTEOSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CCN)C(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419197511 447006945 /nfs/dbraw/zinc/00/69/45/447006945.db2.gz BGJHFXVDXFVVSN-UHFFFAOYSA-N 1 3 346.475 1.096 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419175782 446990485 /nfs/dbraw/zinc/99/04/85/446990485.db2.gz YCDLVJQXPADMIS-HZPDHXFCSA-N 1 3 338.496 1.097 20 0 EDADHO COCCOc1ccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057583 447000089 /nfs/dbraw/zinc/00/00/89/447000089.db2.gz HDQHHLNFQSJTNU-QGZVFWFLSA-N 1 3 349.475 1.389 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058951 447000706 /nfs/dbraw/zinc/00/07/06/447000706.db2.gz OUEQMBMFGHUNQB-YJBOKZPZSA-N 1 3 349.450 1.786 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000443059385 447001880 /nfs/dbraw/zinc/00/18/80/447001880.db2.gz MOSJVIKBQYNXLW-AWEZNQCLSA-N 1 3 339.867 1.896 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccco3)CC2)CC1 ZINC000413193499 447059053 /nfs/dbraw/zinc/05/90/53/447059053.db2.gz AIDMZXVVVJAZSS-IAGOWNOFSA-N 1 3 346.475 1.993 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462610 447063969 /nfs/dbraw/zinc/06/39/69/447063969.db2.gz HNGIHMWDRGBXKT-MDZRGWNJSA-N 1 3 335.492 1.510 20 0 EDADHO C[C@H](CNC(=O)Nc1ccnn1CCN(C)C)C[NH+]1CCCCC1 ZINC000455665689 447203507 /nfs/dbraw/zinc/20/35/07/447203507.db2.gz HLWIZLWIDCDQNG-OAHLLOKOSA-N 1 3 336.484 1.688 20 0 EDADHO C[C@H](CCNC[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631023 447454279 /nfs/dbraw/zinc/45/42/79/447454279.db2.gz LQFZLJZIJXRYQF-MJGOQNOKSA-N 1 3 335.492 1.180 20 0 EDADHO C[C@H](CCNC[C@H](O)CN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000379631023 447454286 /nfs/dbraw/zinc/45/42/86/447454286.db2.gz LQFZLJZIJXRYQF-MJGOQNOKSA-N 1 3 335.492 1.180 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@@H]1C ZINC000419920165 447490708 /nfs/dbraw/zinc/49/07/08/447490708.db2.gz WMLQBOGBFJBHBX-XIRDDKMYSA-N 1 3 346.475 1.134 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)C[C@@H]1C ZINC000419920165 447490714 /nfs/dbraw/zinc/49/07/14/447490714.db2.gz WMLQBOGBFJBHBX-XIRDDKMYSA-N 1 3 346.475 1.134 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1F ZINC000458888580 447495219 /nfs/dbraw/zinc/49/52/19/447495219.db2.gz QPTCIXLEVHKBBF-XHSDSOJGSA-N 1 3 328.476 1.935 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H]1F ZINC000458888580 447495221 /nfs/dbraw/zinc/49/52/21/447495221.db2.gz QPTCIXLEVHKBBF-XHSDSOJGSA-N 1 3 328.476 1.935 20 0 EDADHO COCCOC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494691 447507035 /nfs/dbraw/zinc/50/70/35/447507035.db2.gz OBTXQWWWXVBRFD-MJGOQNOKSA-N 1 3 342.524 1.987 20 0 EDADHO COCCOC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000450494691 447507039 /nfs/dbraw/zinc/50/70/39/447507039.db2.gz OBTXQWWWXVBRFD-MJGOQNOKSA-N 1 3 342.524 1.987 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@@H]2CCCCN2CCO)CC(C)(C)[NH2+]1 ZINC000457400241 447574014 /nfs/dbraw/zinc/57/40/14/447574014.db2.gz ZHSNQZRAXFAEIB-HNNXBMFYSA-N 1 3 340.512 1.442 20 0 EDADHO CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000393083964 447529518 /nfs/dbraw/zinc/52/95/18/447529518.db2.gz IIIZBCHHSYRCIX-OALUTQOASA-N 1 3 346.519 1.855 20 0 EDADHO CC(C)CN1CCO[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000459360106 447646173 /nfs/dbraw/zinc/64/61/73/447646173.db2.gz DZHILULFSWJRTB-IBGZPJMESA-N 1 3 332.492 1.997 20 0 EDADHO C[N@H+](CCCCNC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000459160779 447601188 /nfs/dbraw/zinc/60/11/88/447601188.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCCCNC(=O)N[C@@H]1CCCN(CCCO)C1)C1CC1 ZINC000459160779 447601190 /nfs/dbraw/zinc/60/11/90/447601190.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000457782317 447627031 /nfs/dbraw/zinc/62/70/31/447627031.db2.gz YSWSRBLHRMLAPP-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO C[NH+](C)CC1CCN(CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000496135267 447719503 /nfs/dbraw/zinc/71/95/03/447719503.db2.gz BZLDSPCYAIYDEM-UHFFFAOYSA-N 1 3 329.485 1.801 20 0 EDADHO COCCN(C)CCOc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422718132 447727033 /nfs/dbraw/zinc/72/70/33/447727033.db2.gz WSIUAKCWYRZZRW-GOSISDBHSA-N 1 3 335.492 1.875 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743098 447735582 /nfs/dbraw/zinc/73/55/82/447735582.db2.gz HVXVDYPEKYHMKV-TWMKSMIVSA-N 1 3 341.496 1.007 20 0 EDADHO CN1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@H](c2ccccc2)C1 ZINC000431022069 447789954 /nfs/dbraw/zinc/78/99/54/447789954.db2.gz MBDYLJFVWDXSCD-KRWDZBQOSA-N 1 3 332.492 1.466 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@](C)(O)CNCCC[NH+]1CCCCC1 ZINC000496607889 447832306 /nfs/dbraw/zinc/83/23/06/447832306.db2.gz MOJPLJNVDNLDGI-KRWDZBQOSA-N 1 3 329.485 1.728 20 0 EDADHO C[C@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[N@H+](C)Cc1ccccc1 ZINC000569676593 447863687 /nfs/dbraw/zinc/86/36/87/447863687.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 1 3 347.507 1.181 20 0 EDADHO C[C@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[N@@H+](C)Cc1ccccc1 ZINC000569676593 447863692 /nfs/dbraw/zinc/86/36/92/447863692.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 1 3 347.507 1.181 20 0 EDADHO CC(C)[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCN1C ZINC000488189691 447843078 /nfs/dbraw/zinc/84/30/78/447843078.db2.gz COIPGPJOEJDNPO-MOPGFXCFSA-N 1 3 346.519 1.678 20 0 EDADHO C[C@H]1C[C@H](CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663820 447843893 /nfs/dbraw/zinc/84/38/93/447843893.db2.gz PWUFWVHUNLUUMA-UONOGXRCSA-N 1 3 327.469 1.336 20 0 EDADHO COc1ccc(SCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530641874 447931661 /nfs/dbraw/zinc/93/16/61/447931661.db2.gz XCHCCCQMVJVMSQ-UHFFFAOYSA-N 1 3 339.505 1.739 20 0 EDADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000525453204 448000231 /nfs/dbraw/zinc/00/02/31/448000231.db2.gz SFINUNSYIIDXHA-QGZVFWFLSA-N 1 3 336.480 1.509 20 0 EDADHO C[C@@H](Oc1ccccc1F)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118784 448021879 /nfs/dbraw/zinc/02/18/79/448021879.db2.gz CYYOOFWHSMGTQP-CQSZACIVSA-N 1 3 325.428 1.545 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000531119162 448023031 /nfs/dbraw/zinc/02/30/31/448023031.db2.gz PKIIAKVJBUGQGL-UHFFFAOYSA-N 1 3 348.491 1.089 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cn1 ZINC000570678472 448047454 /nfs/dbraw/zinc/04/74/54/448047454.db2.gz UBUFMDRXQGMONN-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cn1 ZINC000570678472 448047458 /nfs/dbraw/zinc/04/74/58/448047458.db2.gz UBUFMDRXQGMONN-GOSISDBHSA-N 1 3 347.507 1.948 20 0 EDADHO C[C@@H]([NH2+]CC(C)(C)N)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305962 448059780 /nfs/dbraw/zinc/05/97/80/448059780.db2.gz LQTFIIDZQNNBQP-ZBFHGGJFSA-N 1 3 335.448 1.739 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccs2)on1 ZINC000531357155 448068808 /nfs/dbraw/zinc/06/88/08/448068808.db2.gz ZUSMVDAPFSGZHA-UHFFFAOYSA-N 1 3 336.461 1.969 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156471 448112085 /nfs/dbraw/zinc/11/20/85/448112085.db2.gz DBKSBZXHLQKKIA-ROUUACIJSA-N 1 3 331.508 1.973 20 0 EDADHO C[N@H+](CCC(=O)NC[C@H]1CCCN1CCCO)C1CCCCC1 ZINC000556402050 448115230 /nfs/dbraw/zinc/11/52/30/448115230.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 1 3 325.497 1.604 20 0 EDADHO C[N@@H+](CCC(=O)NC[C@H]1CCCN1CCCO)C1CCCCC1 ZINC000556402050 448115234 /nfs/dbraw/zinc/11/52/34/448115234.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 1 3 325.497 1.604 20 0 EDADHO CC1CC(NC(=O)c2ccc3nnnn3c2)C[N@@H+]1Cc1ccccc1 ZINC000531822951 448153288 /nfs/dbraw/zinc/15/32/88/448153288.db2.gz DRDDXMPJWUMVHK-BBRMVZONSA-N 1 3 336.399 1.517 20 0 EDADHO CC1CC(NC(=O)c2ccc3nnnn3c2)C[N@H+]1Cc1ccccc1 ZINC000531822951 448153294 /nfs/dbraw/zinc/15/32/94/448153294.db2.gz DRDDXMPJWUMVHK-BBRMVZONSA-N 1 3 336.399 1.517 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000571433351 448153967 /nfs/dbraw/zinc/15/39/67/448153967.db2.gz YSVWOLBNXPIEHM-PKOBYXMFSA-N 1 3 348.487 1.825 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1ccc(C[NH3+])cc1)CCC2 ZINC000571642514 448186564 /nfs/dbraw/zinc/18/65/64/448186564.db2.gz VNGZPANMHVAGRL-GOSISDBHSA-N 1 3 345.468 1.960 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1ccccc1F ZINC000527241479 448191531 /nfs/dbraw/zinc/19/15/31/448191531.db2.gz DJGSYEKRZAPOLK-UHFFFAOYSA-N 1 3 338.471 1.893 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532077687 448195911 /nfs/dbraw/zinc/19/59/11/448195911.db2.gz VFVOHYMAKXWCNI-SZVBFZGTSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000532077687 448195916 /nfs/dbraw/zinc/19/59/16/448195916.db2.gz VFVOHYMAKXWCNI-SZVBFZGTSA-N 1 3 342.487 1.893 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000514870413 448217950 /nfs/dbraw/zinc/21/79/50/448217950.db2.gz JRHLZMOWYIYZBP-IBGZPJMESA-N 1 3 338.540 1.199 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000514870413 448217953 /nfs/dbraw/zinc/21/79/53/448217953.db2.gz JRHLZMOWYIYZBP-IBGZPJMESA-N 1 3 338.540 1.199 20 0 EDADHO O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000582535686 448265792 /nfs/dbraw/zinc/26/57/92/448265792.db2.gz YFOOXAWFMRKEBR-GOSISDBHSA-N 1 3 330.476 1.950 20 0 EDADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000572218695 448316543 /nfs/dbraw/zinc/31/65/43/448316543.db2.gz JXZXAUQCYPXUBG-FQEVSTJZSA-N 1 3 345.487 1.614 20 0 EDADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000572218695 448316551 /nfs/dbraw/zinc/31/65/51/448316551.db2.gz JXZXAUQCYPXUBG-FQEVSTJZSA-N 1 3 345.487 1.614 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459414 448371776 /nfs/dbraw/zinc/37/17/76/448371776.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 1 3 333.476 1.764 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459414 448371780 /nfs/dbraw/zinc/37/17/80/448371780.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 1 3 333.476 1.764 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000515809217 448351671 /nfs/dbraw/zinc/35/16/71/448351671.db2.gz PDOSFFKZQOAZNA-ROUUACIJSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@H](CN1CCOCC1)N(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851344 448358635 /nfs/dbraw/zinc/35/86/35/448358635.db2.gz DPEOKMOAALULSY-LJQANCHMSA-N 1 3 346.519 1.115 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000577589726 448333903 /nfs/dbraw/zinc/33/39/03/448333903.db2.gz JXWCOJASMAPCJZ-WBVHZDCISA-N 1 3 341.459 1.480 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000577589726 448333909 /nfs/dbraw/zinc/33/39/09/448333909.db2.gz JXWCOJASMAPCJZ-WBVHZDCISA-N 1 3 341.459 1.480 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000566179752 448405800 /nfs/dbraw/zinc/40/58/00/448405800.db2.gz XGVQIJHGRLIPDR-NJAFHUGGSA-N 1 3 333.476 1.810 20 0 EDADHO COc1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)c(F)c1 ZINC000566335888 448448002 /nfs/dbraw/zinc/44/80/02/448448002.db2.gz JNXAFKBJYBCTEW-UHFFFAOYSA-N 1 3 339.455 1.314 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068193 448453463 /nfs/dbraw/zinc/45/34/63/448453463.db2.gz SGOGTSUQPGXWHT-JZXOWHBKSA-N 1 3 335.492 1.478 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000591711291 448464963 /nfs/dbraw/zinc/46/49/63/448464963.db2.gz WKIFTCDYUMVCNL-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO COc1ccc2c(c1)OC[C@@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000534821926 448469140 /nfs/dbraw/zinc/46/91/40/448469140.db2.gz TUVXQFUGAOFFBS-HNNXBMFYSA-N 1 3 349.475 1.513 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186775 448478596 /nfs/dbraw/zinc/47/85/96/448478596.db2.gz BJLJBTMOGMACBF-IIDMSEBBSA-N 1 3 325.497 1.063 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186775 448478598 /nfs/dbraw/zinc/47/85/98/448478598.db2.gz BJLJBTMOGMACBF-IIDMSEBBSA-N 1 3 325.497 1.063 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000578189931 448480357 /nfs/dbraw/zinc/48/03/57/448480357.db2.gz JEESUTOVLZBFAD-UHFFFAOYSA-N 1 3 344.503 1.569 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584350363 448493712 /nfs/dbraw/zinc/49/37/12/448493712.db2.gz FYWBXQXKSHECEK-KSZLIROESA-N 1 3 331.460 1.301 20 0 EDADHO Cc1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000578500895 448562399 /nfs/dbraw/zinc/56/23/99/448562399.db2.gz JKZIPLPPRBQRDT-SFHVURJKSA-N 1 3 348.495 1.969 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566903737 448581025 /nfs/dbraw/zinc/58/10/25/448581025.db2.gz IQZPSVXMYVJKCJ-DLBZAZTESA-N 1 3 346.475 1.378 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593974 448666630 /nfs/dbraw/zinc/66/66/30/448666630.db2.gz ADJSTRASFSJDSY-LMMKCTJWSA-N 1 3 329.444 1.146 20 0 EDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC1(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770018 448667650 /nfs/dbraw/zinc/66/76/50/448667650.db2.gz YMBQZSQZOWUOFC-HSNJFRPJSA-N 1 3 340.508 1.806 20 0 EDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC1(CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770018 448667654 /nfs/dbraw/zinc/66/76/54/448667654.db2.gz YMBQZSQZOWUOFC-HSNJFRPJSA-N 1 3 340.508 1.806 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1(C)C ZINC000573676977 448686560 /nfs/dbraw/zinc/68/65/60/448686560.db2.gz PRFPUGQPJIRULJ-INIZCTEOSA-N 1 3 339.455 1.181 20 0 EDADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000573680899 448687681 /nfs/dbraw/zinc/68/76/81/448687681.db2.gz HMXGJHXXOHNHGP-BBWFWOEESA-N 1 3 339.443 1.924 20 0 EDADHO O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCCN(C2CCCC2)CC1 ZINC000573681041 448687956 /nfs/dbraw/zinc/68/79/56/448687956.db2.gz OBQBLMYEIAAVFF-HNNXBMFYSA-N 1 3 346.479 1.121 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1NCCc2ccccc21 ZINC000567571523 448715302 /nfs/dbraw/zinc/71/53/02/448715302.db2.gz LPYZUNMUMCIGJG-KBXCAEBGSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@H]1NCCc2ccccc21 ZINC000567571523 448715308 /nfs/dbraw/zinc/71/53/08/448715308.db2.gz LPYZUNMUMCIGJG-KBXCAEBGSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CNCCO1 ZINC000567594300 448719230 /nfs/dbraw/zinc/71/92/30/448719230.db2.gz IISLLQJYQGRTMH-KRWDZBQOSA-N 1 3 332.448 1.070 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000579328659 448768036 /nfs/dbraw/zinc/76/80/36/448768036.db2.gz JILANHQJBVYRPP-UHFFFAOYSA-N 1 3 344.459 1.214 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468321 448801115 /nfs/dbraw/zinc/80/11/15/448801115.db2.gz CEDRYIUAAYNYOA-IBGZPJMESA-N 1 3 344.503 1.568 20 0 EDADHO N[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000529332147 448828997 /nfs/dbraw/zinc/82/89/97/448828997.db2.gz HLWHNHRGUPMAAO-ROUUACIJSA-N 1 3 346.475 1.487 20 0 EDADHO COc1cccc(OC)c1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579662486 448842469 /nfs/dbraw/zinc/84/24/69/448842469.db2.gz KCIAHKMDBLEBBC-QLFBSQMISA-N 1 3 338.448 1.516 20 0 EDADHO COc1cccc(OC)c1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000579662486 448842474 /nfs/dbraw/zinc/84/24/74/448842474.db2.gz KCIAHKMDBLEBBC-QLFBSQMISA-N 1 3 338.448 1.516 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000520234957 448876309 /nfs/dbraw/zinc/87/63/09/448876309.db2.gz LJAHSCMWAOGKML-INIZCTEOSA-N 1 3 339.443 1.862 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520424680 448895703 /nfs/dbraw/zinc/89/57/03/448895703.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520424680 448895711 /nfs/dbraw/zinc/89/57/11/448895711.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)N1CCCC[C@H]1C ZINC000592956108 449076739 /nfs/dbraw/zinc/07/67/39/449076739.db2.gz DJQVHFYMTRYPPT-KFWWJZLASA-N 1 3 333.480 1.712 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCNC12CCC2 ZINC000530215815 449084584 /nfs/dbraw/zinc/08/45/84/449084584.db2.gz JHALMLAKOKSAFG-XJKSGUPXSA-N 1 3 327.428 1.935 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)C[C@@H](C)O)CC2)CC1 ZINC000582310805 449064288 /nfs/dbraw/zinc/06/42/88/449064288.db2.gz UBSIYTZSZWMIIU-HUUCEWRRSA-N 1 3 325.497 1.458 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000601828435 449171747 /nfs/dbraw/zinc/17/17/47/449171747.db2.gz JTHZNMLIGFODMZ-OAHLLOKOSA-N 1 3 325.522 1.806 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000601828435 449171752 /nfs/dbraw/zinc/17/17/52/449171752.db2.gz JTHZNMLIGFODMZ-OAHLLOKOSA-N 1 3 325.522 1.806 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602581025 449685336 /nfs/dbraw/zinc/68/53/36/449685336.db2.gz GRAFGOOHEDKUGA-OIISXLGYSA-N 1 3 335.517 1.951 20 0 EDADHO CSCC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602581025 449685342 /nfs/dbraw/zinc/68/53/42/449685342.db2.gz GRAFGOOHEDKUGA-OIISXLGYSA-N 1 3 335.517 1.951 20 0 EDADHO Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000617503573 449647574 /nfs/dbraw/zinc/64/75/74/449647574.db2.gz PAAWKQMKJCNHQL-RDJZCZTQSA-N 1 3 333.476 1.687 20 0 EDADHO Cc1cccc2c1O[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000617503573 449647576 /nfs/dbraw/zinc/64/75/76/449647576.db2.gz PAAWKQMKJCNHQL-RDJZCZTQSA-N 1 3 333.476 1.687 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000594919867 449807367 /nfs/dbraw/zinc/80/73/67/449807367.db2.gz CQMVFBDYZZOXLC-RRQGHBQHSA-N 1 3 347.459 1.265 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H](C)[NH+](C)C)CC2)c1 ZINC000617753484 449818358 /nfs/dbraw/zinc/81/83/58/449818358.db2.gz DKXIHDLMVAGYSM-SFHVURJKSA-N 1 3 346.519 1.964 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987693 449972877 /nfs/dbraw/zinc/97/28/77/449972877.db2.gz MVGKRJRGZTUJAX-IAGOWNOFSA-N 1 3 346.475 1.739 20 0 EDADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000615309053 450057073 /nfs/dbraw/zinc/05/70/73/450057073.db2.gz PJILHKKDAMHOCQ-AYBZRNKSSA-N 1 3 331.460 1.174 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC000616782638 450483696 /nfs/dbraw/zinc/48/36/96/450483696.db2.gz MTANZERPULUVLF-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC000616782638 450483700 /nfs/dbraw/zinc/48/37/00/450483700.db2.gz MTANZERPULUVLF-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)CC[NH+]1CCC(NCc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623354478 450503952 /nfs/dbraw/zinc/50/39/52/450503952.db2.gz WIGIDXSILQZWLG-UHFFFAOYSA-N 1 3 346.454 1.522 20 0 EDADHO CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000633015186 450612318 /nfs/dbraw/zinc/61/23/18/450612318.db2.gz BFUODUSUDOVUNN-UHFFFAOYSA-N 1 3 344.459 1.561 20 0 EDADHO Nc1nc(N)nc(NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000623966839 450654463 /nfs/dbraw/zinc/65/44/63/450654463.db2.gz CYYCCRFSCGFTDD-UHFFFAOYSA-N 1 3 327.436 1.107 20 0 EDADHO CN1CCO[C@H]([C@H](NCCOCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000629541091 450727621 /nfs/dbraw/zinc/72/76/21/450727621.db2.gz XKFXUZUZGQMSNI-DLBZAZTESA-N 1 3 341.883 1.667 20 0 EDADHO CCN(CC)CCN(CC(C)C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631912079 450871577 /nfs/dbraw/zinc/87/15/77/450871577.db2.gz CTVRPJLNQKNATB-UHFFFAOYSA-N 1 3 348.557 1.215 20 0 EDADHO CN(C(=O)C(C)(C)c1cnc[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000621914962 450935228 /nfs/dbraw/zinc/93/52/28/450935228.db2.gz NMUDBXWQQGXROD-OAHLLOKOSA-N 1 3 333.480 1.314 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccnc1C(C)C ZINC000635464041 450963109 /nfs/dbraw/zinc/96/31/09/450963109.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 1 3 349.523 1.881 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccnc1C(C)C ZINC000635464041 450963116 /nfs/dbraw/zinc/96/31/16/450963116.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 1 3 349.523 1.881 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)c1 ZINC000626923303 451006459 /nfs/dbraw/zinc/00/64/59/451006459.db2.gz QMKALTNMJRVHFM-QGTPRVQTSA-N 1 3 346.475 1.882 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626954926 451032494 /nfs/dbraw/zinc/03/24/94/451032494.db2.gz NOTHUELBFPXAQX-SFHVURJKSA-N 1 3 348.491 1.515 20 0 EDADHO C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H](c1ccccc1)N(C)C ZINC000627034154 451092688 /nfs/dbraw/zinc/09/26/88/451092688.db2.gz YZTFRYVOJZTOAH-GDBMZVCRSA-N 1 3 334.464 1.485 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000626979371 451048907 /nfs/dbraw/zinc/04/89/07/451048907.db2.gz XXLQTMBUVJIGEU-SFHVURJKSA-N 1 3 348.491 1.749 20 0 EDADHO CC(C)c1nccn1CC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635552877 451050074 /nfs/dbraw/zinc/05/00/74/451050074.db2.gz VECYMCCBLBZURS-KRWDZBQOSA-N 1 3 347.507 1.633 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]C23CCC3)o1 ZINC000627133565 451142978 /nfs/dbraw/zinc/14/29/78/451142978.db2.gz FHZWHLARLLORND-INIZCTEOSA-N 1 3 334.464 1.946 20 0 EDADHO CCN1CCN(CCC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000634092390 451189905 /nfs/dbraw/zinc/18/99/05/451189905.db2.gz VEJBDBGZDLRXKG-UHFFFAOYSA-N 1 3 348.495 1.116 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCOC1 ZINC000638118190 451286694 /nfs/dbraw/zinc/28/66/94/451286694.db2.gz QOROXMICMHJFIF-IEBWSBKVSA-N 1 3 331.460 1.523 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000635847410 451294951 /nfs/dbraw/zinc/29/49/51/451294951.db2.gz XGSXHWGIRFCVBE-QGZVFWFLSA-N 1 3 333.476 1.927 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635847410 451294955 /nfs/dbraw/zinc/29/49/55/451294955.db2.gz XGSXHWGIRFCVBE-QGZVFWFLSA-N 1 3 333.476 1.927 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141808 451316169 /nfs/dbraw/zinc/31/61/69/451316169.db2.gz IGHHKNHQPDQAJO-OALUTQOASA-N 1 3 344.503 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146194 451320084 /nfs/dbraw/zinc/32/00/84/451320084.db2.gz PXZCVMMZLMDABY-UJJTZGENSA-N 1 3 330.476 1.187 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)CNCCO2 ZINC000638242989 451377826 /nfs/dbraw/zinc/37/78/26/451377826.db2.gz XRLOCPIYQOXHKQ-UHFFFAOYSA-N 1 3 337.423 1.996 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638176809 451339178 /nfs/dbraw/zinc/33/91/78/451339178.db2.gz FYQMDOGIMGFAEO-DOMZBBRYSA-N 1 3 345.447 1.031 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000638289328 451406056 /nfs/dbraw/zinc/40/60/56/451406056.db2.gz NTDHXMDGDFRMLW-WMZOPIPTSA-N 1 3 332.448 1.181 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000638302643 451417461 /nfs/dbraw/zinc/41/74/61/451417461.db2.gz KAIPGNHPILXVRF-ZWKOTPCHSA-N 1 3 329.444 1.441 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)ccc2[nH]c1=O ZINC000638330109 451437392 /nfs/dbraw/zinc/43/73/92/451437392.db2.gz ZPUSEQMXFADRPL-INIZCTEOSA-N 1 3 345.447 1.113 20 0 EDADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638366047 451462885 /nfs/dbraw/zinc/46/28/85/451462885.db2.gz KKGGIDREFBZIMT-HNNXBMFYSA-N 1 3 339.505 1.936 20 0 EDADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638366047 451462889 /nfs/dbraw/zinc/46/28/89/451462889.db2.gz KKGGIDREFBZIMT-HNNXBMFYSA-N 1 3 339.505 1.936 20 0 EDADHO O[C@@]1(CNCC2(N3CCOCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713109 451493099 /nfs/dbraw/zinc/49/30/99/451493099.db2.gz QMXBFSXYBXFRGH-HXUWFJFHSA-N 1 3 345.487 1.078 20 0 EDADHO O[C@@]1(CNCC2(N3CCOCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713109 451493107 /nfs/dbraw/zinc/49/31/07/451493107.db2.gz QMXBFSXYBXFRGH-HXUWFJFHSA-N 1 3 345.487 1.078 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000638340827 451445015 /nfs/dbraw/zinc/44/50/15/451445015.db2.gz GHZGUMCEJHGLQG-ROUUACIJSA-N 1 3 345.491 1.108 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H](N)c3ccccc3)CC2)C1 ZINC000638340827 451445020 /nfs/dbraw/zinc/44/50/20/451445020.db2.gz GHZGUMCEJHGLQG-ROUUACIJSA-N 1 3 345.491 1.108 20 0 EDADHO [NH3+]C[C@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCCOC1 ZINC000638406152 451493653 /nfs/dbraw/zinc/49/36/53/451493653.db2.gz PAURHQWVJUSSKY-LJQANCHMSA-N 1 3 346.475 1.165 20 0 EDADHO COC[C@@]1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCCN1 ZINC000638419428 451503958 /nfs/dbraw/zinc/50/39/58/451503958.db2.gz RUCYSHMTNQBRDJ-FUHWJXTLSA-N 1 3 333.432 1.445 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638425116 451508426 /nfs/dbraw/zinc/50/84/26/451508426.db2.gz HSUBFDYYNAPKQB-KURKYZTESA-N 1 3 343.471 1.521 20 0 EDADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000638425116 451508429 /nfs/dbraw/zinc/50/84/29/451508429.db2.gz HSUBFDYYNAPKQB-KURKYZTESA-N 1 3 343.471 1.521 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000638505829 451550460 /nfs/dbraw/zinc/55/04/60/451550460.db2.gz OTQGSCBQQPWMHR-DLBZAZTESA-N 1 3 328.460 1.694 20 0 EDADHO CC[C@@]1(C(=O)Nc2ccc(C(=O)NCCN(C)C)cc2)CCC[NH2+]1 ZINC000638527652 451560172 /nfs/dbraw/zinc/56/01/72/451560172.db2.gz WYHYUYZDNWPTSI-SFHVURJKSA-N 1 3 332.448 1.449 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638546197 451571411 /nfs/dbraw/zinc/57/14/11/451571411.db2.gz CITSPSRFCSEGDE-HZSPNIEDSA-N 1 3 329.366 1.542 20 0 EDADHO CC[C@](C)([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)N(C)C)nn1 ZINC000640836463 451621813 /nfs/dbraw/zinc/62/18/13/451621813.db2.gz FDWRIOPHIRDSGE-YJBOKZPZSA-N 1 3 344.463 1.281 20 0 EDADHO CN(CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)CC(C)(C)C ZINC000638793446 451693881 /nfs/dbraw/zinc/69/38/81/451693881.db2.gz YBMFXKQPNMIEDH-MRXNPFEDSA-N 1 3 325.497 1.581 20 0 EDADHO [NH3+][C@H]1CCCCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000638818658 451700337 /nfs/dbraw/zinc/70/03/37/451700337.db2.gz DNVIBSMFJWMDTG-SFHVURJKSA-N 1 3 344.503 1.929 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)C1 ZINC000632961052 451670117 /nfs/dbraw/zinc/67/01/17/451670117.db2.gz NODMKRMERLGNPK-ZIAGYGMSSA-N 1 3 334.468 1.741 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000638936848 451739765 /nfs/dbraw/zinc/73/97/65/451739765.db2.gz SCNCIVFJVIZMOL-SJORKVTESA-N 1 3 330.476 1.537 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCCN2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151128 451741676 /nfs/dbraw/zinc/74/16/76/451741676.db2.gz XPJDZCIHTUPMPA-CGTJXYLNSA-N 1 3 346.475 1.015 20 0 EDADHO CCO[C@@H]1C[C@](CO)(NC2CC[NH+](CC(C)(C)O)CC2)C1(C)C ZINC000639084799 451764893 /nfs/dbraw/zinc/76/48/93/451764893.db2.gz BJHQUPJAZFRPPS-CRAIPNDOSA-N 1 3 328.497 1.377 20 0 EDADHO CO[C@H](CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639171816 451784777 /nfs/dbraw/zinc/78/47/77/451784777.db2.gz DHPZQNPGBOOSSU-RBUKOAKNSA-N 1 3 339.524 1.528 20 0 EDADHO CO[C@H](CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCOCC1 ZINC000639171816 451784778 /nfs/dbraw/zinc/78/47/78/451784778.db2.gz DHPZQNPGBOOSSU-RBUKOAKNSA-N 1 3 339.524 1.528 20 0 EDADHO CO[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000639266931 451801902 /nfs/dbraw/zinc/80/19/02/451801902.db2.gz UOBGZWYWNZDTQI-MOPGFXCFSA-N 1 3 348.487 1.655 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637372626 451804041 /nfs/dbraw/zinc/80/40/41/451804041.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(CCO)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637372626 451804045 /nfs/dbraw/zinc/80/40/45/451804045.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000649071954 451808103 /nfs/dbraw/zinc/80/81/03/451808103.db2.gz VMRCZZSBMLNGKM-HNNXBMFYSA-N 1 3 338.496 1.219 20 0 EDADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000649071954 451808108 /nfs/dbraw/zinc/80/81/08/451808108.db2.gz VMRCZZSBMLNGKM-HNNXBMFYSA-N 1 3 338.496 1.219 20 0 EDADHO CN1CCN(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1(C)C ZINC000644639600 451911213 /nfs/dbraw/zinc/91/12/13/451911213.db2.gz JWVYXETZEOEOTQ-UHFFFAOYSA-N 1 3 336.455 1.770 20 0 EDADHO COCCC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000649278791 451949483 /nfs/dbraw/zinc/94/94/83/451949483.db2.gz BXIKTBGHKDKDGS-GOSISDBHSA-N 1 3 345.487 1.783 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000653416615 451929194 /nfs/dbraw/zinc/92/91/94/451929194.db2.gz BKDDRAZZEHYGEO-MRXNPFEDSA-N 1 3 348.495 1.927 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)CC1 ZINC000646923737 451940928 /nfs/dbraw/zinc/94/09/28/451940928.db2.gz YXXLJSQZFGYLRX-AEFFLSMTSA-N 1 3 328.460 1.769 20 0 EDADHO COCCC1(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293136 451969406 /nfs/dbraw/zinc/96/94/06/451969406.db2.gz AHKPDMPGQJGVHI-HOTGVXAUSA-N 1 3 325.497 1.629 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])N[C@@H](C)c1ccccc1 ZINC000642909889 451987035 /nfs/dbraw/zinc/98/70/35/451987035.db2.gz WPBYPHPGWFHYHU-HLLBOEOZSA-N 1 3 348.491 1.332 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649327573 452007906 /nfs/dbraw/zinc/00/79/06/452007906.db2.gz AIAOWFRZZVMLOB-UHFFFAOYSA-N 1 3 334.464 1.112 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000639664936 452008758 /nfs/dbraw/zinc/00/87/58/452008758.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 1 3 347.503 1.010 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H](C)N1CCO ZINC000639664936 452008766 /nfs/dbraw/zinc/00/87/66/452008766.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 1 3 347.503 1.010 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351176 452035477 /nfs/dbraw/zinc/03/54/77/452035477.db2.gz XFTSJWAPPGULMW-QRVBRYPASA-N 1 3 342.487 1.061 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799977 452088790 /nfs/dbraw/zinc/08/87/90/452088790.db2.gz UNXQBDXXXFCBKU-HKUYNNGSSA-N 1 3 333.476 1.941 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C)[C@H](C(C)(C)C)C2)CC1 ZINC000639748977 452092005 /nfs/dbraw/zinc/09/20/05/452092005.db2.gz PJHVRTSAMAISGF-KRWDZBQOSA-N 1 3 338.540 1.638 20 0 EDADHO Cc1ccc2nc(CN3CCC4(C3)CC[NH+](C)CC4)cc(=O)n2c1 ZINC000639758419 452096052 /nfs/dbraw/zinc/09/60/52/452096052.db2.gz SPMGZJBMKOHFQR-UHFFFAOYSA-N 1 3 326.444 1.921 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCC[N@H+](C)C1CCCC1)CCO2 ZINC000645267164 452244952 /nfs/dbraw/zinc/24/49/52/452244952.db2.gz HBEBRYHYAFQLKA-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCC[N@@H+](C)C1CCCC1)CCO2 ZINC000645267164 452244958 /nfs/dbraw/zinc/24/49/58/452244958.db2.gz HBEBRYHYAFQLKA-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000659423698 452264742 /nfs/dbraw/zinc/26/47/42/452264742.db2.gz MCYZGOSDGUPTGQ-UHFFFAOYSA-N 1 3 328.460 1.784 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000659455454 452304903 /nfs/dbraw/zinc/30/49/03/452304903.db2.gz ZELRDJWGDBBGKP-HFCFLWKCSA-N 1 3 328.460 1.702 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H](C)C1 ZINC000659456980 452308703 /nfs/dbraw/zinc/30/87/03/452308703.db2.gz VELKPRBCPUPGOC-JJXSEGSLSA-N 1 3 344.475 1.204 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H](N)C2)[C@@H](C)C1 ZINC000659456980 452308713 /nfs/dbraw/zinc/30/87/13/452308713.db2.gz VELKPRBCPUPGOC-JJXSEGSLSA-N 1 3 344.475 1.204 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458134 452310025 /nfs/dbraw/zinc/31/00/25/452310025.db2.gz PKXVKTXZTFGFSV-QZTJIDSGSA-N 1 3 334.508 1.892 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000638048529 452318445 /nfs/dbraw/zinc/31/84/45/452318445.db2.gz RLEJWKCJAQNBFA-PKOBYXMFSA-N 1 3 331.460 1.534 20 0 EDADHO CCO[C@@H]1CN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652128207 452323389 /nfs/dbraw/zinc/32/33/89/452323389.db2.gz SCIXNGNRXMTCFB-KLHDSHLOSA-N 1 3 326.485 1.112 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150481 452343278 /nfs/dbraw/zinc/34/32/78/452343278.db2.gz YADWIDKQUXCUMV-HNNXBMFYSA-N 1 3 338.427 1.194 20 0 EDADHO C[C@]1(NC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]C1 ZINC000663615066 452347418 /nfs/dbraw/zinc/34/74/18/452347418.db2.gz DHPQVNOVZQSWNQ-IBGZPJMESA-N 1 3 344.459 1.479 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1NC(=O)CN1CCNCC1 ZINC000638059573 452347544 /nfs/dbraw/zinc/34/75/44/452347544.db2.gz HBYILHBQWNCALZ-UHFFFAOYSA-N 1 3 334.464 1.251 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000652158968 452352568 /nfs/dbraw/zinc/35/25/68/452352568.db2.gz OIMAXOJANMUUEU-INIZCTEOSA-N 1 3 347.507 1.089 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000659515610 452380795 /nfs/dbraw/zinc/38/07/95/452380795.db2.gz CKHMDHRDIYTBBE-QGZVFWFLSA-N 1 3 331.464 1.345 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000659530107 452393146 /nfs/dbraw/zinc/39/31/46/452393146.db2.gz NISJCEYPFRQMLF-KRWDZBQOSA-N 1 3 330.476 1.826 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000659567220 452421227 /nfs/dbraw/zinc/42/12/27/452421227.db2.gz SJDKWEHWNRQQOB-HOTGVXAUSA-N 1 3 345.491 1.685 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663693502 452431824 /nfs/dbraw/zinc/43/18/24/452431824.db2.gz OZXOXEDXUNGVTI-DOTOQJQBSA-N 1 3 340.512 1.203 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000663693502 452431830 /nfs/dbraw/zinc/43/18/30/452431830.db2.gz OZXOXEDXUNGVTI-DOTOQJQBSA-N 1 3 340.512 1.203 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@H]2C1 ZINC000659578535 452434064 /nfs/dbraw/zinc/43/40/64/452434064.db2.gz DKZNHKLWNYJWGX-MANSERQUSA-N 1 3 342.487 1.868 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000659635172 452499740 /nfs/dbraw/zinc/49/97/40/452499740.db2.gz FZVNPPNQFNXZMD-OAHLLOKOSA-N 1 3 333.480 1.937 20 0 EDADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655734036 452545883 /nfs/dbraw/zinc/54/58/83/452545883.db2.gz XVNDQRJEJNCDRQ-GUDVDZBRSA-N 1 3 337.508 1.207 20 0 EDADHO CCCS(=O)(=O)NC1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647880319 452618248 /nfs/dbraw/zinc/61/82/48/452618248.db2.gz GAEWFAOYLRHUJS-UHFFFAOYSA-N 1 3 331.526 1.560 20 0 EDADHO O=c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977040 452721399 /nfs/dbraw/zinc/72/13/99/452721399.db2.gz XJLOMECRZVKEGY-UONOGXRCSA-N 1 3 332.473 1.968 20 0 EDADHO Cc1c(N(C)C[C@H]2CCCN2C)ncnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000664029261 452729254 /nfs/dbraw/zinc/72/92/54/452729254.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1c(N(C)C[C@H]2CCCN2C)ncnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000664029261 452729256 /nfs/dbraw/zinc/72/92/56/452729256.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1c(N(C)C[C@H]2CCC[N@@H+]2C)ncnc1N(C)C[C@@H]1CCCN1C ZINC000664029261 452729263 /nfs/dbraw/zinc/72/92/63/452729263.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 1 3 346.523 1.846 20 0 EDADHO Cc1c(N(C)C[C@H]2CCC[N@H+]2C)ncnc1N(C)C[C@@H]1CCCN1C ZINC000664029261 452729267 /nfs/dbraw/zinc/72/92/67/452729267.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 1 3 346.523 1.846 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658164802 452765388 /nfs/dbraw/zinc/76/53/88/452765388.db2.gz FQCXGKBZBBPZTB-SFHVURJKSA-N 1 3 328.464 1.954 20 0 EDADHO COc1c(C)cccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000654677841 452793926 /nfs/dbraw/zinc/79/39/26/452793926.db2.gz MSUNYVMPLPMXJM-UHFFFAOYSA-N 1 3 336.480 1.638 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(N(C)C)CC3)cc2)CC1 ZINC000666431606 452865677 /nfs/dbraw/zinc/86/56/77/452865677.db2.gz XEWZKIVOSTUXFX-UHFFFAOYSA-N 1 3 344.503 1.535 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000660012037 452919992 /nfs/dbraw/zinc/91/99/92/452919992.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 1 3 336.524 1.203 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000660012037 452919999 /nfs/dbraw/zinc/91/99/99/452919999.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 1 3 336.524 1.203 20 0 EDADHO CN1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](Cc2ccccc2)C1 ZINC000650720269 452949374 /nfs/dbraw/zinc/94/93/74/452949374.db2.gz KDPVPSIERFPWIW-RTBURBONSA-N 1 3 344.503 1.042 20 0 EDADHO CN1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](Cc2ccccc2)C1 ZINC000650720269 452949381 /nfs/dbraw/zinc/94/93/81/452949381.db2.gz KDPVPSIERFPWIW-RTBURBONSA-N 1 3 344.503 1.042 20 0 EDADHO CCn1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccc1=O ZINC000664315076 452990242 /nfs/dbraw/zinc/99/02/42/452990242.db2.gz RAMQXRRMOZITEY-AWEZNQCLSA-N 1 3 337.468 1.262 20 0 EDADHO CCn1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccc1=O ZINC000664315076 452990249 /nfs/dbraw/zinc/99/02/49/452990249.db2.gz RAMQXRRMOZITEY-AWEZNQCLSA-N 1 3 337.468 1.262 20 0 EDADHO CN(CC1CN(C)C1)c1ncc(C2CC2)c(N(C)CC2C[NH+](C)C2)n1 ZINC000664330190 453005133 /nfs/dbraw/zinc/00/51/33/453005133.db2.gz KADYPWVIGBIAAA-UHFFFAOYSA-N 1 3 344.507 1.350 20 0 EDADHO CCN1CCC(NC(=O)CN2c3ccccc3CC[C@H]2C[NH3+])CC1 ZINC000662304778 453025345 /nfs/dbraw/zinc/02/53/45/453025345.db2.gz LJCQDMXQBISURK-KRWDZBQOSA-N 1 3 330.476 1.367 20 0 EDADHO C[C@H]1CN(c2ccccc2F)CCN1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699065 453077330 /nfs/dbraw/zinc/07/73/30/453077330.db2.gz IWOQOVXHXRJPLM-HOTGVXAUSA-N 1 3 348.466 1.534 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000666754435 453117659 /nfs/dbraw/zinc/11/76/59/453117659.db2.gz NHDIWPLEYPBLAC-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000646111994 453118108 /nfs/dbraw/zinc/11/81/08/453118108.db2.gz DGIUFZGBRVJLOO-QGZVFWFLSA-N 1 3 331.460 1.258 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442784 453150668 /nfs/dbraw/zinc/15/06/68/453150668.db2.gz YFNJCTHWJJHZLE-MSOLQXFVSA-N 1 3 345.487 1.906 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000662475763 453189173 /nfs/dbraw/zinc/18/91/73/453189173.db2.gz OSAKSRQJZQWVID-SJORKVTESA-N 1 3 346.475 1.789 20 0 EDADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)N1CCO ZINC000648756459 453237726 /nfs/dbraw/zinc/23/77/26/453237726.db2.gz GNCHHSUBLMYVQB-CALCHBBNSA-N 1 3 335.492 1.514 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000666925921 453254203 /nfs/dbraw/zinc/25/42/03/453254203.db2.gz HQSOSFFUKQNSSP-QGZVFWFLSA-N 1 3 338.496 1.225 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000666925921 453254210 /nfs/dbraw/zinc/25/42/10/453254210.db2.gz HQSOSFFUKQNSSP-QGZVFWFLSA-N 1 3 338.496 1.225 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 ZINC000655162356 453277079 /nfs/dbraw/zinc/27/70/79/453277079.db2.gz HPWSLAJTADFPGO-KURKYZTESA-N 1 3 335.492 1.619 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150674 453338579 /nfs/dbraw/zinc/33/85/79/453338579.db2.gz JZHLBPQFEAJLOL-LSDHHAIUSA-N 1 3 326.872 1.338 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](C)C1 ZINC000662680738 453400562 /nfs/dbraw/zinc/40/05/62/453400562.db2.gz XDQMMQVWYPSAFU-OAGGEKHMSA-N 1 3 348.495 1.443 20 0 EDADHO CCO[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246922 453432766 /nfs/dbraw/zinc/43/27/66/453432766.db2.gz DLIZIZDXJWGHQV-KZNAEPCWSA-N 1 3 346.475 1.116 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660706350 453531806 /nfs/dbraw/zinc/53/18/06/453531806.db2.gz OVMPDIZEROCIOI-QGZVFWFLSA-N 1 3 338.496 1.128 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000667308790 453549356 /nfs/dbraw/zinc/54/93/56/453549356.db2.gz ZUIOEFPUPORZFH-SHTZXODSSA-N 1 3 328.501 1.467 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000658997080 453572682 /nfs/dbraw/zinc/57/26/82/453572682.db2.gz UFARUCKHAIXLTR-MRXNPFEDSA-N 1 3 348.495 1.688 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000662857353 453573120 /nfs/dbraw/zinc/57/31/20/453573120.db2.gz AIVYUTWCAGFWHD-KURKYZTESA-N 1 3 331.460 1.387 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000659020499 453583480 /nfs/dbraw/zinc/58/34/80/453583480.db2.gz MIRGROIMJUIBSE-INIZCTEOSA-N 1 3 348.447 1.399 20 0 EDADHO C[NH+](C)C1CCN(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659031113 453588939 /nfs/dbraw/zinc/58/89/39/453588939.db2.gz KGGHXCJOZCJANZ-KRWDZBQOSA-N 1 3 332.448 1.905 20 0 EDADHO CC[N@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659034972 453591416 /nfs/dbraw/zinc/59/14/16/453591416.db2.gz SDPPKKISOXRSGI-KRWDZBQOSA-N 1 3 332.448 1.953 20 0 EDADHO CC[N@@H+](CCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CC1 ZINC000659034972 453591419 /nfs/dbraw/zinc/59/14/19/453591419.db2.gz SDPPKKISOXRSGI-KRWDZBQOSA-N 1 3 332.448 1.953 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCc2ccccc21 ZINC000665160281 453596492 /nfs/dbraw/zinc/59/64/92/453596492.db2.gz HDHOWEASWUZLDP-MAUKXSAKSA-N 1 3 348.491 1.829 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCc2ccccc21 ZINC000665160281 453596493 /nfs/dbraw/zinc/59/64/93/453596493.db2.gz HDHOWEASWUZLDP-MAUKXSAKSA-N 1 3 348.491 1.829 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000659091053 453625300 /nfs/dbraw/zinc/62/53/00/453625300.db2.gz MLSXQHXKSUUKIY-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(CN)c2)C1 ZINC000659091053 453625302 /nfs/dbraw/zinc/62/53/02/453625302.db2.gz MLSXQHXKSUUKIY-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659096824 453629199 /nfs/dbraw/zinc/62/91/99/453629199.db2.gz WTKFQPMATPQOSX-AWEZNQCLSA-N 1 3 332.448 1.334 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](CN)c2ccc(F)cc2)CCO1 ZINC000662972745 453630498 /nfs/dbraw/zinc/63/04/98/453630498.db2.gz LDSKKRCKCYTHCH-SJORKVTESA-N 1 3 337.439 1.437 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1(C)C ZINC000662973151 453631857 /nfs/dbraw/zinc/63/18/57/453631857.db2.gz OQGXFDOBAFSUEC-RKVPGOIHSA-N 1 3 341.496 1.088 20 0 EDADHO C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CCN1C(C)(C)C)CCO2 ZINC000665356094 453664510 /nfs/dbraw/zinc/66/45/10/453664510.db2.gz GKSJMFTUQQTCED-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000665356451 453664549 /nfs/dbraw/zinc/66/45/49/453664549.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000665356451 453664551 /nfs/dbraw/zinc/66/45/51/453664551.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035875 453689075 /nfs/dbraw/zinc/68/90/75/453689075.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035875 453689077 /nfs/dbraw/zinc/68/90/77/453689077.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO COC[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1CCOCC1 ZINC000661157860 453740151 /nfs/dbraw/zinc/74/01/51/453740151.db2.gz JVJMYPJFPJUXOZ-SFHVURJKSA-N 1 3 327.513 1.434 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556558 453749234 /nfs/dbraw/zinc/74/92/34/453749234.db2.gz ZKTXNMDGAYSTOE-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556558 453749236 /nfs/dbraw/zinc/74/92/36/453749236.db2.gz ZKTXNMDGAYSTOE-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665639107 453778853 /nfs/dbraw/zinc/77/88/53/453778853.db2.gz MMNLTVUHYKVJGF-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665639107 453778855 /nfs/dbraw/zinc/77/88/55/453778855.db2.gz MMNLTVUHYKVJGF-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CCOc1cccc(CNC2CCN(C(=O)CCC[NH2+]C)CC2)n1 ZINC000663503094 453811493 /nfs/dbraw/zinc/81/14/93/453811493.db2.gz DGCHQLUHSRHERF-UHFFFAOYSA-N 1 3 334.464 1.561 20 0 EDADHO C[C@@H](O)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307931 486651148 /nfs/dbraw/zinc/65/11/48/486651148.db2.gz ZDFUYPBYBPJOFV-IAGOWNOFSA-N 1 3 335.492 1.514 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000676698074 486845162 /nfs/dbraw/zinc/84/51/62/486845162.db2.gz LJEWVAVTWXYBTP-MOPGFXCFSA-N 1 3 348.535 1.632 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000676698074 486845164 /nfs/dbraw/zinc/84/51/64/486845164.db2.gz LJEWVAVTWXYBTP-MOPGFXCFSA-N 1 3 348.535 1.632 20 0 EDADHO C[C@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670701 487085470 /nfs/dbraw/zinc/08/54/70/487085470.db2.gz NKXWOBORDSKRHW-OXJNMPFZSA-N 1 3 345.487 1.470 20 0 EDADHO CCC(=O)N1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000673852040 487133109 /nfs/dbraw/zinc/13/31/09/487133109.db2.gz VKPYMVUAZFHZMH-UHFFFAOYSA-N 1 3 348.491 1.903 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992383 487178921 /nfs/dbraw/zinc/17/89/21/487178921.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992383 487178923 /nfs/dbraw/zinc/17/89/23/487178923.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992383 487178926 /nfs/dbraw/zinc/17/89/26/487178926.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992383 487178930 /nfs/dbraw/zinc/17/89/30/487178930.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 1 3 340.512 1.068 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCN1C(=O)CCC1=O ZINC000682533302 487383525 /nfs/dbraw/zinc/38/35/25/487383525.db2.gz FFUZUYANFXQXEK-HZPDHXFCSA-N 1 3 343.471 1.882 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1 ZINC000675763187 487442474 /nfs/dbraw/zinc/44/24/74/487442474.db2.gz IJXJOILRRUCRJV-INIZCTEOSA-N 1 3 326.462 1.294 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647893 /nfs/dbraw/zinc/64/78/93/485647893.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647902 /nfs/dbraw/zinc/64/79/02/485647902.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000673770736 485722273 /nfs/dbraw/zinc/72/22/73/485722273.db2.gz DNWIRFLHTWPFPA-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CCN(CC)C1 ZINC000669145103 485733831 /nfs/dbraw/zinc/73/38/31/485733831.db2.gz IVNVZLDDKRPQFF-LSDHHAIUSA-N 1 3 340.512 1.022 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])N2CCCC2)cc1 ZINC000668592641 485928687 /nfs/dbraw/zinc/92/86/87/485928687.db2.gz KOGRUZYWUQXKPB-BAHPRDJBSA-N 1 3 332.448 1.646 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668661121 486009475 /nfs/dbraw/zinc/00/94/75/486009475.db2.gz KJPIFSHIQKDEGH-KBAYOESNSA-N 1 3 348.491 1.827 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669426299 486147211 /nfs/dbraw/zinc/14/72/11/486147211.db2.gz GUKMSIWDUPUUTM-NVXWUHKLSA-N 1 3 346.475 1.520 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000669426285 486147500 /nfs/dbraw/zinc/14/75/00/486147500.db2.gz BVODVJVPGLIILS-DLBZAZTESA-N 1 3 346.475 1.378 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000668490356 491179792 /nfs/dbraw/zinc/17/97/92/491179792.db2.gz QHEFGLFNBLMSMS-QZTJIDSGSA-N 1 3 341.459 1.281 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000167413621 534658920 /nfs/dbraw/zinc/65/89/20/534658920.db2.gz YTLSUHYDRMQDIU-QGZVFWFLSA-N 1 3 331.460 1.259 20 0 EDADHO COc1cccc([C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)N(C)C)c1 ZINC000188693284 524094820 /nfs/dbraw/zinc/09/48/20/524094820.db2.gz LEXWMQBUKPRULD-MRXNPFEDSA-N 1 3 343.431 1.097 20 0 EDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000351642047 535362117 /nfs/dbraw/zinc/36/21/17/535362117.db2.gz SYRNMXHBRZPNFN-JKSUJKDBSA-N 1 3 340.512 1.260 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096594 535440427 /nfs/dbraw/zinc/44/04/27/535440427.db2.gz IIBWUSQBKHLYGU-IIDMSEBBSA-N 1 3 325.497 1.900 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[N@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096594 535440432 /nfs/dbraw/zinc/44/04/32/535440432.db2.gz IIBWUSQBKHLYGU-IIDMSEBBSA-N 1 3 325.497 1.900 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662254 535714902 /nfs/dbraw/zinc/71/49/02/535714902.db2.gz YYKXOCXBBTVWST-TVFCKZIOSA-N 1 3 336.524 1.297 20 0 EDADHO C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)N1CCCCC1 ZINC000741081819 579396615 /nfs/dbraw/zinc/39/66/15/579396615.db2.gz UGQLARNXBBVMOB-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@H](CNC(=O)N1CCC([N@@H+](C)CCCO)CC1)N1CCCCC1 ZINC000741081819 579396617 /nfs/dbraw/zinc/39/66/17/579396617.db2.gz UGQLARNXBBVMOB-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN(CCO)CC1 ZINC000732467267 578714253 /nfs/dbraw/zinc/71/42/53/578714253.db2.gz SXLULXFBERIBBD-UHFFFAOYSA-N 1 3 348.491 1.346 20 0 EDADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000733165261 578745625 /nfs/dbraw/zinc/74/56/25/578745625.db2.gz AKEVUKFOWXRXKB-QZTJIDSGSA-N 1 3 332.492 1.996 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCCC[NH+]2CCCCCC2)cn1 ZINC000747554726 579648689 /nfs/dbraw/zinc/64/86/89/579648689.db2.gz FRPYMIFGOVLYTK-UHFFFAOYSA-N 1 3 336.484 1.832 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121174 580093451 /nfs/dbraw/zinc/09/34/51/580093451.db2.gz LSFHAOSBZQMSHN-GOSISDBHSA-N 1 3 340.512 1.399 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605875 580124543 /nfs/dbraw/zinc/12/45/43/580124543.db2.gz DYFPNGYEKHOPKS-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605875 580124544 /nfs/dbraw/zinc/12/45/44/580124544.db2.gz DYFPNGYEKHOPKS-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766120623 580159693 /nfs/dbraw/zinc/15/96/93/580159693.db2.gz ACCJKDPGVMAJPW-IEBWSBKVSA-N 1 3 347.503 1.322 20 0 EDADHO OC[C@H]1CSCCN1CCCCCC[N@@H+]1CCSC[C@@H]1CO ZINC000767120368 580182070 /nfs/dbraw/zinc/18/20/70/580182070.db2.gz SDHGFPDAJWAQPP-HOTGVXAUSA-N 1 3 348.578 1.366 20 0 EDADHO OC[C@H]1CSCCN1CCCCCC[N@H+]1CCSC[C@@H]1CO ZINC000767120368 580182071 /nfs/dbraw/zinc/18/20/71/580182071.db2.gz SDHGFPDAJWAQPP-HOTGVXAUSA-N 1 3 348.578 1.366 20 0 EDADHO CN1CCCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776596181 580423481 /nfs/dbraw/zinc/42/34/81/580423481.db2.gz LNGGOGPDXRPZMR-JXMROGBWSA-N 1 3 331.460 1.804 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290968 580766191 /nfs/dbraw/zinc/76/61/91/580766191.db2.gz RJPMLMMVNITIPM-HZPDHXFCSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCc3cccnc3F)CC2)CC1 ZINC000792909048 580830691 /nfs/dbraw/zinc/83/06/91/580830691.db2.gz RHUUXTAVJTWDBA-UHFFFAOYSA-N 1 3 349.454 1.579 20 0 EDADHO C[C@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376605 581026863 /nfs/dbraw/zinc/02/68/63/581026863.db2.gz BQIYUKLMBZZJLC-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891816284 590633900 /nfs/dbraw/zinc/63/39/00/590633900.db2.gz VCJWIKIKOLIWJW-WMZOPIPTSA-N 1 3 346.475 1.473 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCc3ccc(OCC[NH+](C)C)cc3)[C@H]2C1 ZINC000891816298 590634426 /nfs/dbraw/zinc/63/44/26/590634426.db2.gz VKVZRKPGHHXCNU-AEFFLSMTSA-N 1 3 346.475 1.473 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857148 590657903 /nfs/dbraw/zinc/65/79/03/590657903.db2.gz ZAIZIDHIFFXWOY-JKSUJKDBSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893302410 590767223 /nfs/dbraw/zinc/76/72/23/590767223.db2.gz FZEJEBZAAUFSIS-HOCLYGCPSA-N 1 3 337.489 1.711 20 0 EDADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1Cc2ccccc2CN1 ZINC000892086420 590790445 /nfs/dbraw/zinc/79/04/45/590790445.db2.gz LMCXBTISCSCLCL-IBGZPJMESA-N 1 3 336.439 1.804 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892120883 590810392 /nfs/dbraw/zinc/81/03/92/590810392.db2.gz XGNWIQFAYMDWQL-HIFRSBDPSA-N 1 3 338.402 1.417 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892336122 590964240 /nfs/dbraw/zinc/96/42/40/590964240.db2.gz ZOSFNGMDLUBENW-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000892336122 590964243 /nfs/dbraw/zinc/96/42/43/590964243.db2.gz ZOSFNGMDLUBENW-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399962 591011945 /nfs/dbraw/zinc/01/19/45/591011945.db2.gz MDPUTFROMYFUOH-QZTJIDSGSA-N 1 3 332.492 1.930 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892467613 591037553 /nfs/dbraw/zinc/03/75/53/591037553.db2.gz HMFPHLVTRULJBO-NXVRBGIVSA-N 1 3 336.480 1.247 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529862 591059810 /nfs/dbraw/zinc/05/98/10/591059810.db2.gz DAVAZONAIBYFEK-QGZVFWFLSA-N 1 3 334.464 1.186 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCCC1 ZINC000891510382 591099267 /nfs/dbraw/zinc/09/92/67/591099267.db2.gz VTGQHACGEQYKNY-CVEARBPZSA-N 1 3 338.496 1.101 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538415 591112676 /nfs/dbraw/zinc/11/26/76/591112676.db2.gz XXDZKCWNVZWWCH-LSDHHAIUSA-N 1 3 326.485 1.175 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576708 591133039 /nfs/dbraw/zinc/13/30/39/591133039.db2.gz NMGJJFXLAHWTQW-HOTGVXAUSA-N 1 3 338.496 1.319 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000891578723 591133666 /nfs/dbraw/zinc/13/36/66/591133666.db2.gz ZVGYHPUJAUBJSU-ROUUACIJSA-N 1 3 328.460 1.484 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000891578723 591133670 /nfs/dbraw/zinc/13/36/70/591133670.db2.gz ZVGYHPUJAUBJSU-ROUUACIJSA-N 1 3 328.460 1.484 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891601023 591143624 /nfs/dbraw/zinc/14/36/24/591143624.db2.gz DWHUEMXAVVBUJZ-IRXDYDNUSA-N 1 3 339.528 1.173 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1C ZINC000892780607 591173353 /nfs/dbraw/zinc/17/33/53/591173353.db2.gz SMIJMCKJRUIRCV-BZUAXINKSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000892788106 591178604 /nfs/dbraw/zinc/17/86/04/591178604.db2.gz BHUCOTPFQSKVDW-RTBURBONSA-N 1 3 342.487 1.732 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891673338 591180043 /nfs/dbraw/zinc/18/00/43/591180043.db2.gz KNQJEZDJMOSDHA-KYJSFNMBSA-N 1 3 330.476 1.728 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892804606 591184402 /nfs/dbraw/zinc/18/44/02/591184402.db2.gz XHKLUDWEVFOGHX-JLSDUUJJSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892804606 591184406 /nfs/dbraw/zinc/18/44/06/591184406.db2.gz XHKLUDWEVFOGHX-JLSDUUJJSA-N 1 3 330.476 1.683 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892817144 591190383 /nfs/dbraw/zinc/19/03/83/591190383.db2.gz AGPCDXOKQMZHQP-CABCVRRESA-N 1 3 326.485 1.079 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000892817325 591192893 /nfs/dbraw/zinc/19/28/93/591192893.db2.gz BQTNRKJUPPPFCJ-XHSDSOJGSA-N 1 3 326.485 1.125 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCC12CCN(C)CC2 ZINC000894165093 591214040 /nfs/dbraw/zinc/21/40/40/591214040.db2.gz XLEVWRDRMNMRTM-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCCN(C)C2)CC1 ZINC000892883780 591216501 /nfs/dbraw/zinc/21/65/01/591216501.db2.gz GEQBPDARUURSSC-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)CC1 ZINC000892935175 591230248 /nfs/dbraw/zinc/23/02/48/591230248.db2.gz OJEMHKQABGFBJT-HNNXBMFYSA-N 1 3 331.464 1.915 20 0 EDADHO C[N@H+](CCCNC(=O)C1CN(C2CCOCC2)C1)C1CCCCC1 ZINC000895626730 591235029 /nfs/dbraw/zinc/23/50/29/591235029.db2.gz VNRDGHOQQVJDQV-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[N@@H+](CCCNC(=O)C1CN(C2CCOCC2)C1)C1CCCCC1 ZINC000895626730 591235033 /nfs/dbraw/zinc/23/50/33/591235033.db2.gz VNRDGHOQQVJDQV-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894232083 591238518 /nfs/dbraw/zinc/23/85/18/591238518.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 1 3 342.487 1.710 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894232083 591238521 /nfs/dbraw/zinc/23/85/21/591238521.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 1 3 342.487 1.710 20 0 EDADHO C[C@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895666102 591246603 /nfs/dbraw/zinc/24/66/03/591246603.db2.gz KFTPMRMIPNUDNA-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895666102 591246605 /nfs/dbraw/zinc/24/66/05/591246605.db2.gz KFTPMRMIPNUDNA-CVEARBPZSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000893010879 591254972 /nfs/dbraw/zinc/25/49/72/591254972.db2.gz JOQIPRQORKAPBU-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000893010879 591254974 /nfs/dbraw/zinc/25/49/74/591254974.db2.gz JOQIPRQORKAPBU-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO COc1ccc(C[C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000894472407 591319521 /nfs/dbraw/zinc/31/95/21/591319521.db2.gz LNJVPBHHSQRNMM-MGNMYUMUSA-N 1 3 334.460 1.767 20 0 EDADHO COc1ccc(C[C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000894472407 591319524 /nfs/dbraw/zinc/31/95/24/591319524.db2.gz LNJVPBHHSQRNMM-MGNMYUMUSA-N 1 3 334.460 1.767 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000897437020 591427184 /nfs/dbraw/zinc/42/71/84/591427184.db2.gz FNXKKEYOTXAIBZ-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000897437020 591427186 /nfs/dbraw/zinc/42/71/86/591427186.db2.gz FNXKKEYOTXAIBZ-HOTGVXAUSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459575 /nfs/dbraw/zinc/45/95/75/591459575.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459578 /nfs/dbraw/zinc/45/95/78/591459578.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 1 3 338.496 1.223 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894905212 591468026 /nfs/dbraw/zinc/46/80/26/591468026.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000894905212 591468028 /nfs/dbraw/zinc/46/80/28/591468028.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO COC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896884814 591646835 /nfs/dbraw/zinc/64/68/35/591646835.db2.gz VNYUEUNZEPKJJJ-RTBURBONSA-N 1 3 345.487 1.906 20 0 EDADHO COC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896884814 591646838 /nfs/dbraw/zinc/64/68/38/591646838.db2.gz VNYUEUNZEPKJJJ-RTBURBONSA-N 1 3 345.487 1.906 20 0 EDADHO C[N@H+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000895282114 591699398 /nfs/dbraw/zinc/69/93/98/591699398.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000895282114 591699400 /nfs/dbraw/zinc/69/94/00/591699400.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@@H]2CCN2C2CCOCC2)CC1 ZINC000897229913 591779796 /nfs/dbraw/zinc/77/97/96/591779796.db2.gz YNWXJVVDGSHWRT-KRWDZBQOSA-N 1 3 325.497 1.065 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000897229913 591779798 /nfs/dbraw/zinc/77/97/98/591779798.db2.gz YNWXJVVDGSHWRT-KRWDZBQOSA-N 1 3 325.497 1.065 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000900013684 591872826 /nfs/dbraw/zinc/87/28/26/591872826.db2.gz OAIZEDCJICOIST-ICSRJNTNSA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000900013684 591872829 /nfs/dbraw/zinc/87/28/29/591872829.db2.gz OAIZEDCJICOIST-ICSRJNTNSA-N 1 3 345.487 1.787 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@]1(O)CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000900190226 591934846 /nfs/dbraw/zinc/93/48/46/591934846.db2.gz DETZYTXUGFMMIA-IEBWSBKVSA-N 1 3 339.524 1.706 20 0 EDADHO CS(=O)(=O)NCCCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902337454 591980734 /nfs/dbraw/zinc/98/07/34/591980734.db2.gz ZXDDTTHFEKJPRW-HNNXBMFYSA-N 1 3 349.447 1.664 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902359638 591986399 /nfs/dbraw/zinc/98/63/99/591986399.db2.gz FOFCRTXNGBNVTG-LJQANCHMSA-N 1 3 337.508 1.883 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900338745 591989083 /nfs/dbraw/zinc/98/90/83/591989083.db2.gz GPCRQRFPPZOQOZ-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900338745 591989084 /nfs/dbraw/zinc/98/90/84/591989084.db2.gz GPCRQRFPPZOQOZ-HNNXBMFYSA-N 1 3 335.496 1.685 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000900416990 592013262 /nfs/dbraw/zinc/01/32/62/592013262.db2.gz KNLXNKGARDGYRE-UHFFFAOYSA-N 1 3 347.507 1.829 20 0 EDADHO COCCN1CC[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622086 592074175 /nfs/dbraw/zinc/07/41/75/592074175.db2.gz AWGJBCIUIJCKDQ-MRXNPFEDSA-N 1 3 330.432 1.741 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903090899 592118495 /nfs/dbraw/zinc/11/84/95/592118495.db2.gz IWHXHLAUMQVOAE-RBUKOAKNSA-N 1 3 334.460 1.707 20 0 EDADHO C(CN1CCOCC1)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903098513 592120262 /nfs/dbraw/zinc/12/02/62/592120262.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 1 3 348.535 1.140 20 0 EDADHO C(CN1CCOCC1)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903098513 592120264 /nfs/dbraw/zinc/12/02/64/592120264.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 1 3 348.535 1.140 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900871020 592151940 /nfs/dbraw/zinc/15/19/40/592151940.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 1 3 345.487 1.566 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900871020 592151941 /nfs/dbraw/zinc/15/19/41/592151941.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 1 3 345.487 1.566 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510910 592190515 /nfs/dbraw/zinc/19/05/15/592190515.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510910 592190516 /nfs/dbraw/zinc/19/05/16/592190516.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646188 592231781 /nfs/dbraw/zinc/23/17/81/592231781.db2.gz NHKBYDLOSCNEKK-AWEZNQCLSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646188 592231787 /nfs/dbraw/zinc/23/17/87/592231787.db2.gz NHKBYDLOSCNEKK-AWEZNQCLSA-N 1 3 346.475 1.711 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000901151747 592263396 /nfs/dbraw/zinc/26/33/96/592263396.db2.gz JXORLMAENAUAGN-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccnn2CCN(C)C)C1 ZINC000901151747 592263398 /nfs/dbraw/zinc/26/33/98/592263398.db2.gz JXORLMAENAUAGN-MRXNPFEDSA-N 1 3 335.496 1.543 20 0 EDADHO CN(C[C@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725616 592285319 /nfs/dbraw/zinc/28/53/19/592285319.db2.gz DSGMWGOMUNUUJP-OALUTQOASA-N 1 3 348.487 1.655 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000906721032 592289795 /nfs/dbraw/zinc/28/97/95/592289795.db2.gz HYZMMALRFRCUOR-UHFFFAOYSA-N 1 3 332.448 1.193 20 0 EDADHO C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740147 592301247 /nfs/dbraw/zinc/30/12/47/592301247.db2.gz SEFWTWSBMCAXFN-JKSUJKDBSA-N 1 3 345.491 1.562 20 0 EDADHO COc1cccc([C@@H]2CNCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903783194 592321195 /nfs/dbraw/zinc/32/11/95/592321195.db2.gz WCZLIZYOFOMIDG-GBESFXJTSA-N 1 3 331.460 1.410 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903803699 592327737 /nfs/dbraw/zinc/32/77/37/592327737.db2.gz ZVOSYFRCGXHSAV-QWFCFKBJSA-N 1 3 344.503 1.609 20 0 EDADHO C([C@@H]1CCC2(CCOCC2)CO1)[N@@H+]1CCNCCC12CCOCC2 ZINC000903819303 592332418 /nfs/dbraw/zinc/33/24/18/592332418.db2.gz FTUHOOWDBRETKF-KRWDZBQOSA-N 1 3 338.492 1.807 20 0 EDADHO C([C@@H]1CCC2(CCOCC2)CO1)[N@H+]1CCNCCC12CCOCC2 ZINC000903819303 592332423 /nfs/dbraw/zinc/33/24/23/592332423.db2.gz FTUHOOWDBRETKF-KRWDZBQOSA-N 1 3 338.492 1.807 20 0 EDADHO CCCNC(=O)C1CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903878963 592359523 /nfs/dbraw/zinc/35/95/23/592359523.db2.gz OKWPCYRRAPEBNA-HNNXBMFYSA-N 1 3 335.496 1.084 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(CCC(N)=O)Cc2ccccc2)cnn1C ZINC000903878922 592360142 /nfs/dbraw/zinc/36/01/42/592360142.db2.gz NJHIARCNMSRGRJ-QGZVFWFLSA-N 1 3 343.475 1.224 20 0 EDADHO CN(CCCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1)Cc1ccco1 ZINC000908182455 592363841 /nfs/dbraw/zinc/36/38/41/592363841.db2.gz JKPSGQIBMOYDKA-SFHVURJKSA-N 1 3 337.464 1.407 20 0 EDADHO CN(CCCN(C)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1)Cc1ccco1 ZINC000908182455 592363846 /nfs/dbraw/zinc/36/38/46/592363846.db2.gz JKPSGQIBMOYDKA-SFHVURJKSA-N 1 3 337.464 1.407 20 0 EDADHO COCCCN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000903905740 592373148 /nfs/dbraw/zinc/37/31/48/592373148.db2.gz MYPXRJMCNZNAEW-UYTSQGDYSA-N 1 3 330.494 1.043 20 0 EDADHO COc1ccc(OCCNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903920675 592376918 /nfs/dbraw/zinc/37/69/18/592376918.db2.gz KTHPACOLZBRLJD-CQSZACIVSA-N 1 3 331.420 1.380 20 0 EDADHO CCOC(=O)N1CCC([NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903922471 592377883 /nfs/dbraw/zinc/37/78/83/592377883.db2.gz XOGGGRBIWNCZFJ-CQSZACIVSA-N 1 3 337.468 1.056 20 0 EDADHO CCOC(=O)N1CCC(NC[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903922471 592377886 /nfs/dbraw/zinc/37/78/86/592377886.db2.gz XOGGGRBIWNCZFJ-CQSZACIVSA-N 1 3 337.468 1.056 20 0 EDADHO COc1ccc2c(c1)OC[C@H](NCc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903926681 592380771 /nfs/dbraw/zinc/38/07/71/592380771.db2.gz NSIMYMSTVBAOGD-HUUCEWRRSA-N 1 3 343.431 1.305 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNc2ccc([C@H]3CNCCO3)cc2)cnn1C ZINC000903932698 592385505 /nfs/dbraw/zinc/38/55/05/592385505.db2.gz FLGMRXFAFAVOKS-DNVCBOLYSA-N 1 3 343.475 1.619 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCN(c3ccncc3)[C@H](C)C2)cnn1C ZINC000903937997 592387541 /nfs/dbraw/zinc/38/75/41/592387541.db2.gz XEFVALILSMJUSB-WBVHZDCISA-N 1 3 342.491 1.452 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C/C=C\c1ccccc1OC)C2 ZINC000903978744 592400088 /nfs/dbraw/zinc/40/00/88/592400088.db2.gz LOJNDRZRNXWVNZ-WMXZZFSLSA-N 1 3 330.428 1.921 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110926 592412014 /nfs/dbraw/zinc/41/20/14/592412014.db2.gz SQBHMXTXYUIOQG-AEFFLSMTSA-N 1 3 339.524 1.048 20 0 EDADHO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000907069756 592505179 /nfs/dbraw/zinc/50/51/79/592505179.db2.gz ZRFHPURNUWTPND-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)N1CCCCC1 ZINC000907069756 592505180 /nfs/dbraw/zinc/50/51/80/592505180.db2.gz ZRFHPURNUWTPND-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285856 592584592 /nfs/dbraw/zinc/58/45/92/592584592.db2.gz OUGICXJNDSAHFZ-HOTGVXAUSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H](NC(=O)c1ccnn1CCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000907285856 592584595 /nfs/dbraw/zinc/58/45/95/592584595.db2.gz OUGICXJNDSAHFZ-HOTGVXAUSA-N 1 3 347.507 1.828 20 0 EDADHO CCOc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc(C)n1 ZINC000905702860 592616387 /nfs/dbraw/zinc/61/63/87/592616387.db2.gz YYTBFVOFYCSTRS-IYBDPMFKSA-N 1 3 331.464 1.589 20 0 EDADHO CCOc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc(C)n1 ZINC000905702860 592616390 /nfs/dbraw/zinc/61/63/90/592616390.db2.gz YYTBFVOFYCSTRS-IYBDPMFKSA-N 1 3 331.464 1.589 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456719 592664767 /nfs/dbraw/zinc/66/47/67/592664767.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456719 592664770 /nfs/dbraw/zinc/66/47/70/592664770.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 1 3 336.524 1.536 20 0 EDADHO CC[C@](O)(CN(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934188 592688056 /nfs/dbraw/zinc/68/80/56/592688056.db2.gz RKQMKGBIIUEFKC-OCCSQVGLSA-N 1 3 326.403 1.714 20 0 EDADHO C[C@H](CNC(=O)c1cscc1C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000906072418 592737956 /nfs/dbraw/zinc/73/79/56/592737956.db2.gz KCMKPJKEQOMXEI-VXGBXAGGSA-N 1 3 340.493 1.108 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218838 592760552 /nfs/dbraw/zinc/76/05/52/592760552.db2.gz OEFLGSUESWOKTK-HZPDHXFCSA-N 1 3 331.464 1.047 20 0 EDADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(N2CCCOCC2)CC1 ZINC000910366811 592845316 /nfs/dbraw/zinc/84/53/16/592845316.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 1 3 335.492 1.717 20 0 EDADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(N2CCCOCC2)CC1 ZINC000910366811 592845318 /nfs/dbraw/zinc/84/53/18/592845318.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 1 3 335.492 1.717 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000911220238 592961362 /nfs/dbraw/zinc/96/13/62/592961362.db2.gz UELGHTVBLPCXQU-QGZVFWFLSA-N 1 3 346.475 1.013 20 0 EDADHO CCCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000911765567 593000029 /nfs/dbraw/zinc/00/00/29/593000029.db2.gz CDTZKXRSDFIIHS-OLZOCXBDSA-N 1 3 343.393 1.964 20 0 EDADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@@H](C)N1 ZINC000911801093 593012794 /nfs/dbraw/zinc/01/27/94/593012794.db2.gz YHQCRQKMQIJKLE-CKYFFXLPSA-N 1 3 329.366 1.573 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000911856544 593027933 /nfs/dbraw/zinc/02/79/33/593027933.db2.gz QJFGTDJZTQLIIC-MSOLQXFVSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CO)CC1 ZINC000820086498 593789610 /nfs/dbraw/zinc/78/96/10/593789610.db2.gz GEFMYGQUDZPJJF-HOTGVXAUSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@H](CO)CC1 ZINC000820086498 593789611 /nfs/dbraw/zinc/78/96/11/593789611.db2.gz GEFMYGQUDZPJJF-HOTGVXAUSA-N 1 3 328.501 1.062 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000823728108 593843958 /nfs/dbraw/zinc/84/39/58/593843958.db2.gz ULROHKAIQTZADE-SFHVURJKSA-N 1 3 333.476 1.367 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000821500970 593847843 /nfs/dbraw/zinc/84/78/43/593847843.db2.gz IUFXLUDLKSNEOI-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000821500970 593847845 /nfs/dbraw/zinc/84/78/45/593847845.db2.gz IUFXLUDLKSNEOI-INIZCTEOSA-N 1 3 348.495 1.688 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824547873 594036660 /nfs/dbraw/zinc/03/66/60/594036660.db2.gz TYCYJYFNOFSPNB-CQSZACIVSA-N 1 3 343.479 1.543 20 0 EDADHO COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000826202621 594376893 /nfs/dbraw/zinc/37/68/93/594376893.db2.gz GJBOAZLGECSPSM-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826202621 594376895 /nfs/dbraw/zinc/37/68/95/594376895.db2.gz GJBOAZLGECSPSM-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)N1CCCCC1 ZINC000841021070 594840737 /nfs/dbraw/zinc/84/07/37/594840737.db2.gz ZBEOVOYQHXOPDY-AWEZNQCLSA-N 1 3 344.459 1.261 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000834564478 595163577 /nfs/dbraw/zinc/16/35/77/595163577.db2.gz LBZYLQAELLQKGE-IAGOWNOFSA-N 1 3 329.460 1.114 20 0 EDADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1NCCc3ccccc31)C2 ZINC000846178782 595166010 /nfs/dbraw/zinc/16/60/10/595166010.db2.gz YYMMLFGVEVNAHU-WDYCEAGBSA-N 1 3 328.460 1.644 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000844170017 595290311 /nfs/dbraw/zinc/29/03/11/595290311.db2.gz FLQOKJSDPUTSHO-CVEARBPZSA-N 1 3 325.497 1.770 20 0 EDADHO NC1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000844172371 595290888 /nfs/dbraw/zinc/29/08/88/595290888.db2.gz WDASIUVLTCSDHZ-SFHVURJKSA-N 1 3 343.471 1.242 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065094 595476911 /nfs/dbraw/zinc/47/69/11/595476911.db2.gz OPDFKMZHBCNETF-GOEBONIOSA-N 1 3 349.454 1.068 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104848 595482579 /nfs/dbraw/zinc/48/25/79/595482579.db2.gz ZCGHYFPPGGNNRK-LMMKCTJWSA-N 1 3 348.466 1.890 20 0 EDADHO [NH2+]=C(NCCC1(CO)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849115177 595484206 /nfs/dbraw/zinc/48/42/06/595484206.db2.gz IJUXVRSDDKIPLO-UHFFFAOYSA-N 1 3 330.476 1.928 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118059 595484854 /nfs/dbraw/zinc/48/48/54/595484854.db2.gz IFVIXKYIAZWIRY-CQSZACIVSA-N 1 3 326.485 1.152 20 0 EDADHO CCn1cc(NC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000849275173 595499677 /nfs/dbraw/zinc/49/96/77/595499677.db2.gz JWRKMFWLQLSRJE-ZDUSSCGKSA-N 1 3 326.514 1.461 20 0 EDADHO CCn1cc(NC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000849275173 595499679 /nfs/dbraw/zinc/49/96/79/595499679.db2.gz JWRKMFWLQLSRJE-ZDUSSCGKSA-N 1 3 326.514 1.461 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849480959 595546830 /nfs/dbraw/zinc/54/68/30/595546830.db2.gz IKDZCTJVROGNAX-DLBZAZTESA-N 1 3 335.496 1.302 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[N@H+](C)C2CCCC2)cn1 ZINC000849522714 595557973 /nfs/dbraw/zinc/55/79/73/595557973.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[N@@H+](C)C2CCCC2)cn1 ZINC000849522714 595557975 /nfs/dbraw/zinc/55/79/75/595557975.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 1 3 347.507 1.446 20 0 EDADHO CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000852858504 595580164 /nfs/dbraw/zinc/58/01/64/595580164.db2.gz FGHKGAPTMHASMZ-OAHLLOKOSA-N 1 3 330.432 1.043 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586611 /nfs/dbraw/zinc/58/66/11/595586611.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586613 /nfs/dbraw/zinc/58/66/13/595586613.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 1 3 335.496 1.300 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)CCCO2 ZINC000853249188 595719194 /nfs/dbraw/zinc/71/91/94/595719194.db2.gz OFUAZVMFEFRYLM-LSDHHAIUSA-N 1 3 331.460 1.860 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCOC(F)F)CC1 ZINC000851862692 595952894 /nfs/dbraw/zinc/95/28/94/595952894.db2.gz DLJYISSUGJPJGX-UHFFFAOYSA-N 1 3 347.450 1.930 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951897 595983961 /nfs/dbraw/zinc/98/39/61/595983961.db2.gz GVBQHRHUVFIQDW-OWCLPIDISA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951897 595983965 /nfs/dbraw/zinc/98/39/65/595983965.db2.gz GVBQHRHUVFIQDW-OWCLPIDISA-N 1 3 329.485 1.534 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000857115080 596161284 /nfs/dbraw/zinc/16/12/84/596161284.db2.gz HYJVMOSKZDVNOL-HNNXBMFYSA-N 1 3 333.480 1.467 20 0 EDADHO Cc1cc(C)cc(OCCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707512 596302027 /nfs/dbraw/zinc/30/20/27/596302027.db2.gz IKMROANFZWWSTE-JQHSSLGASA-N 1 3 345.443 1.549 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000866712823 596305833 /nfs/dbraw/zinc/30/58/33/596305833.db2.gz YKCYLAFKWUQHBT-KCITZHQASA-N 1 3 341.455 1.973 20 0 EDADHO C[C@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863546225 596613750 /nfs/dbraw/zinc/61/37/50/596613750.db2.gz KBEFXHXHXQODEW-NSHDSACASA-N 1 3 336.404 1.699 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000863549874 596615260 /nfs/dbraw/zinc/61/52/60/596615260.db2.gz KPEWTXHVWWTVEU-SJORKVTESA-N 1 3 349.406 1.462 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)C1CC1 ZINC000863553607 596616275 /nfs/dbraw/zinc/61/62/75/596616275.db2.gz GMWPRUVNAPFQAI-GJZGRUSLSA-N 1 3 327.469 1.336 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)C[C@@H](C)[NH3+])CC1 ZINC000863570101 596621259 /nfs/dbraw/zinc/62/12/59/596621259.db2.gz RXUBZSROGGBYNR-QGZVFWFLSA-N 1 3 332.492 1.308 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664063 596649502 /nfs/dbraw/zinc/64/95/02/596649502.db2.gz QELLQEDITCELLZ-OCCSQVGLSA-N 1 3 335.383 1.692 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868096616 596684634 /nfs/dbraw/zinc/68/46/34/596684634.db2.gz RGUILKFZGRLYBU-RDJZCZTQSA-N 1 3 329.448 1.407 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC000868156103 596704736 /nfs/dbraw/zinc/70/47/36/596704736.db2.gz VRQHSBCISSKAFX-CABCVRRESA-N 1 3 332.452 1.508 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000870019274 596710696 /nfs/dbraw/zinc/71/06/96/596710696.db2.gz BXQBMLDMHPRQNV-RKVPGOIHSA-N 1 3 343.471 1.554 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000866074020 596778993 /nfs/dbraw/zinc/77/89/93/596778993.db2.gz XHJVLIWTWYSNPK-IHRRRGAJSA-N 1 3 342.484 1.040 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866074020 596778995 /nfs/dbraw/zinc/77/89/95/596778995.db2.gz XHJVLIWTWYSNPK-IHRRRGAJSA-N 1 3 342.484 1.040 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875134611 597296098 /nfs/dbraw/zinc/29/60/98/597296098.db2.gz YATBCQIUUBRYSM-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875134611 597296101 /nfs/dbraw/zinc/29/61/01/597296101.db2.gz YATBCQIUUBRYSM-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876722435 597305974 /nfs/dbraw/zinc/30/59/74/597305974.db2.gz UTBAIVYULUVDCY-FCEWJHQRSA-N 1 3 346.519 1.670 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CN(C)C)cc2)C1 ZINC000876722435 597305978 /nfs/dbraw/zinc/30/59/78/597305978.db2.gz UTBAIVYULUVDCY-FCEWJHQRSA-N 1 3 346.519 1.670 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000876779869 597337712 /nfs/dbraw/zinc/33/77/12/597337712.db2.gz CVPCLUXLDOVSPW-IMJJTQAJSA-N 1 3 331.464 1.329 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779456 597338117 /nfs/dbraw/zinc/33/81/17/597338117.db2.gz FUVGJZUTAAHSQF-IEBWSBKVSA-N 1 3 346.475 1.534 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782599 597338689 /nfs/dbraw/zinc/33/86/89/597338689.db2.gz XTFJNSXRWGUJDL-ROUUACIJSA-N 1 3 344.503 1.424 20 0 EDADHO COC[C@]1(C(=O)NCCC2CC[NH+](C(C)C)CC2)CCCCN1 ZINC000877200289 597460002 /nfs/dbraw/zinc/46/00/02/597460002.db2.gz IHBNWTFWFWMDMJ-SFHVURJKSA-N 1 3 325.497 1.772 20 0 EDADHO CC(C)[NH+]1CCC(CCNC(=O)NCCOCCN(C)C)CC1 ZINC000875524506 597464151 /nfs/dbraw/zinc/46/41/51/597464151.db2.gz XMDXNXINVUDVID-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@H]1C(F)(F)F ZINC000877354874 597499492 /nfs/dbraw/zinc/49/94/92/597499492.db2.gz DYVKKDYEESWHLE-VHSXEESVSA-N 1 3 333.379 1.603 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825315 597725114 /nfs/dbraw/zinc/72/51/14/597725114.db2.gz DGLBVOLYOWRZQG-ILXRZTDVSA-N 1 3 341.496 1.723 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000878825315 597725115 /nfs/dbraw/zinc/72/51/15/597725115.db2.gz DGLBVOLYOWRZQG-ILXRZTDVSA-N 1 3 341.496 1.723 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880475500 597940787 /nfs/dbraw/zinc/94/07/87/597940787.db2.gz VIHCAJHXBPSLEL-HNNXBMFYSA-N 1 3 341.496 1.822 20 0 EDADHO COc1cncc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000880552339 597961865 /nfs/dbraw/zinc/96/18/65/597961865.db2.gz SPOZVVYIVRRIPE-UHFFFAOYSA-N 1 3 347.463 1.770 20 0 EDADHO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914075981 695071342 /nfs/dbraw/zinc/07/13/42/695071342.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914075981 695071345 /nfs/dbraw/zinc/07/13/45/695071345.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CCOCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000089265147 695129402 /nfs/dbraw/zinc/12/94/02/695129402.db2.gz ZUJHLWYQKXHBDA-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001031857572 700017631 /nfs/dbraw/zinc/01/76/31/700017631.db2.gz ZDIXNBINSUHLMS-IPCDKGFNSA-N 1 3 347.503 1.478 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C ZINC000940008364 700109774 /nfs/dbraw/zinc/10/97/74/700109774.db2.gz KPJNNZGPYVSJNM-MRXNPFEDSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688937 697528211 /nfs/dbraw/zinc/52/82/11/697528211.db2.gz OFSYVAMRKONYJM-OALUTQOASA-N 1 3 343.471 1.406 20 0 EDADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688937 697528213 /nfs/dbraw/zinc/52/82/13/697528213.db2.gz OFSYVAMRKONYJM-OALUTQOASA-N 1 3 343.471 1.406 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000940115390 700230568 /nfs/dbraw/zinc/23/05/68/700230568.db2.gz KGLFQDRUVNGBPZ-QGZVFWFLSA-N 1 3 346.475 1.796 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NCC2CN(C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001032094518 698597283 /nfs/dbraw/zinc/59/72/83/698597283.db2.gz JPJMYVZGMZENQN-YJBOKZPZSA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567494 701579923 /nfs/dbraw/zinc/57/99/23/701579923.db2.gz VFZSYNQPXWIVTO-FUHWJXTLSA-N 1 3 336.524 1.059 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567494 701579924 /nfs/dbraw/zinc/57/99/24/701579924.db2.gz VFZSYNQPXWIVTO-FUHWJXTLSA-N 1 3 336.524 1.059 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1ccnn1C ZINC000939256674 699433434 /nfs/dbraw/zinc/43/34/34/699433434.db2.gz DOEMUUAAGWTNOC-WMLDXEAASA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(Cl)nc1 ZINC000939546804 699688699 /nfs/dbraw/zinc/68/86/99/699688699.db2.gz UAQHLLYQSZINCL-UKRRQHHQSA-N 1 3 348.878 1.767 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000940149918 700282984 /nfs/dbraw/zinc/28/29/84/700282984.db2.gz RTCCPPRYYZTNHI-MRXNPFEDSA-N 1 3 348.495 1.109 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)N(C)C ZINC000940176243 700308218 /nfs/dbraw/zinc/30/82/18/700308218.db2.gz BAEGAYYVHRVTHB-CYBMUJFWSA-N 1 3 325.482 1.349 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000940328350 700506383 /nfs/dbraw/zinc/50/63/83/700506383.db2.gz HMXHQXWRVWATJB-HNNXBMFYSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000940328350 700506386 /nfs/dbraw/zinc/50/63/86/700506386.db2.gz HMXHQXWRVWATJB-HNNXBMFYSA-N 1 3 347.507 1.541 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)N(C)C ZINC000940333922 700513919 /nfs/dbraw/zinc/51/39/19/700513919.db2.gz BAEGAYYVHRVTHB-ZDUSSCGKSA-N 1 3 325.482 1.349 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940426126 700619535 /nfs/dbraw/zinc/61/95/35/700619535.db2.gz GLRWUPOPFCUVSC-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940426126 700619536 /nfs/dbraw/zinc/61/95/36/700619536.db2.gz GLRWUPOPFCUVSC-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO CCOC1CC(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000940461499 700664482 /nfs/dbraw/zinc/66/44/82/700664482.db2.gz DCYYZKWGQIGYDX-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940462065 700665999 /nfs/dbraw/zinc/66/59/99/700665999.db2.gz YZQSHGYDNBGTER-UHFFFAOYSA-N 1 3 337.493 1.413 20 0 EDADHO Cc1ncc(CNC[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081422 700711502 /nfs/dbraw/zinc/71/15/02/700711502.db2.gz VADLTKKBDXNRPZ-GDBMZVCRSA-N 1 3 334.464 1.699 20 0 EDADHO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001032204658 701990401 /nfs/dbraw/zinc/99/04/01/701990401.db2.gz BINKYQPCQGCNAW-SFHVURJKSA-N 1 3 345.487 1.979 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032205068 702044212 /nfs/dbraw/zinc/04/42/12/702044212.db2.gz NOIPJNFJPQQUSO-OAHLLOKOSA-N 1 3 331.460 1.446 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1)C1CC1 ZINC000995899388 702204748 /nfs/dbraw/zinc/20/47/48/702204748.db2.gz WGBRZQZVBQCFPE-CVEARBPZSA-N 1 3 333.480 1.087 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918407 702238007 /nfs/dbraw/zinc/23/80/07/702238007.db2.gz NPBZIUVGLMUEAJ-QGZVFWFLSA-N 1 3 337.508 1.724 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)C1CCC1 ZINC000995920749 702242555 /nfs/dbraw/zinc/24/25/55/702242555.db2.gz UZYPNUAFLHJXTQ-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293004 702684940 /nfs/dbraw/zinc/68/49/40/702684940.db2.gz AEFCBTRPPDQPIA-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1)N(C)C ZINC000996312892 702701371 /nfs/dbraw/zinc/70/13/71/702701371.db2.gz BLASDXPXWRHBRP-LSDHHAIUSA-N 1 3 338.521 1.852 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)N(C)C ZINC000996316059 702704098 /nfs/dbraw/zinc/70/40/98/702704098.db2.gz WHYXXPAMDSZZME-HOTGVXAUSA-N 1 3 348.491 1.757 20 0 EDADHO CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cn1 ZINC000996353514 702731555 /nfs/dbraw/zinc/73/15/55/702731555.db2.gz AKULIMFAZZMSML-MRXNPFEDSA-N 1 3 344.463 1.238 20 0 EDADHO CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)C1 ZINC000996354402 702732149 /nfs/dbraw/zinc/73/21/49/702732149.db2.gz HJXYAFPIIDALTO-LSDHHAIUSA-N 1 3 334.464 1.594 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465099 702792251 /nfs/dbraw/zinc/79/22/51/702792251.db2.gz QJBOHWFRJIVDEF-GOSISDBHSA-N 1 3 347.507 1.856 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)n1 ZINC000996465099 702792252 /nfs/dbraw/zinc/79/22/52/702792252.db2.gz QJBOHWFRJIVDEF-GOSISDBHSA-N 1 3 347.507 1.856 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518246 702853786 /nfs/dbraw/zinc/85/37/86/702853786.db2.gz IUFQMRXYLNNQDA-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1nccc1CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518246 702853787 /nfs/dbraw/zinc/85/37/87/702853787.db2.gz IUFQMRXYLNNQDA-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519638 702855170 /nfs/dbraw/zinc/85/51/70/702855170.db2.gz PKPOCYAXZRZPKM-HIFRSBDPSA-N 1 3 336.505 1.812 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H](NCc3cncs3)C(C)(C)C2)C1 ZINC000996519638 702855174 /nfs/dbraw/zinc/85/51/74/702855174.db2.gz PKPOCYAXZRZPKM-HIFRSBDPSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1cncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619046 702925570 /nfs/dbraw/zinc/92/55/70/702925570.db2.gz YIHCUHWVZBCKAJ-IAGOWNOFSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cncc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996619046 702925571 /nfs/dbraw/zinc/92/55/71/702925571.db2.gz YIHCUHWVZBCKAJ-IAGOWNOFSA-N 1 3 330.476 1.668 20 0 EDADHO C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996674784 702970101 /nfs/dbraw/zinc/97/01/01/702970101.db2.gz WXGABGGFMMUIEL-PBHICJAKSA-N 1 3 333.476 1.569 20 0 EDADHO Cn1cc(CN[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)cn1 ZINC000996669546 702971460 /nfs/dbraw/zinc/97/14/60/702971460.db2.gz HBGAZENBAOMUQU-QGZVFWFLSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996714110 703009269 /nfs/dbraw/zinc/00/92/69/703009269.db2.gz AIPWUWLQILLYOT-UHFFFAOYSA-N 1 3 345.491 1.377 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)nn1 ZINC000996727657 703022572 /nfs/dbraw/zinc/02/25/72/703022572.db2.gz HZKPCGACSBORQO-INIZCTEOSA-N 1 3 347.463 1.050 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996994847 703251431 /nfs/dbraw/zinc/25/14/31/703251431.db2.gz KSZUAVREXCPJAI-AWEZNQCLSA-N 1 3 333.480 1.293 20 0 EDADHO Cc1ncoc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000996996855 703260174 /nfs/dbraw/zinc/26/01/74/703260174.db2.gz ATCNMUPFNOVAKG-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)CC1 ZINC000997114756 703367633 /nfs/dbraw/zinc/36/76/33/703367633.db2.gz GVPIGPMPFVZQOI-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cnc([C@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185821 703474875 /nfs/dbraw/zinc/47/48/75/703474875.db2.gz SEQHNOAVQKTPSU-HOTGVXAUSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1cnc([C@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185821 703474878 /nfs/dbraw/zinc/47/48/78/703474878.db2.gz SEQHNOAVQKTPSU-HOTGVXAUSA-N 1 3 345.491 1.768 20 0 EDADHO C[C@H](NC1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1cnccn1 ZINC000997363453 703597128 /nfs/dbraw/zinc/59/71/28/703597128.db2.gz GETQFUSMFKQGIA-INIZCTEOSA-N 1 3 345.491 1.994 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997365378 703599000 /nfs/dbraw/zinc/59/90/00/703599000.db2.gz UBCHQGQRTUGBBY-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000997365378 703599003 /nfs/dbraw/zinc/59/90/03/703599003.db2.gz UBCHQGQRTUGBBY-INIZCTEOSA-N 1 3 333.480 1.375 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366830 703600740 /nfs/dbraw/zinc/60/07/40/703600740.db2.gz NHXUZNZVPKKHGA-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997432931 703664062 /nfs/dbraw/zinc/66/40/62/703664062.db2.gz GJYNVCHAQXXYDD-HZPDHXFCSA-N 1 3 347.503 1.959 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588577 703876867 /nfs/dbraw/zinc/87/68/67/703876867.db2.gz XZSUGRGIZSKVNM-DOTOQJQBSA-N 1 3 325.497 1.458 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004201893 703932085 /nfs/dbraw/zinc/93/20/85/703932085.db2.gz SEXFCMYQAOTWFA-OAHLLOKOSA-N 1 3 333.476 1.977 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298975 /nfs/dbraw/zinc/29/89/75/704298975.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 1 3 335.492 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298977 /nfs/dbraw/zinc/29/89/77/704298977.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 1 3 335.492 1.430 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(OC)nc2)CC1)N(C)C ZINC000997854608 704766587 /nfs/dbraw/zinc/76/65/87/704766587.db2.gz GZKHBFOVYHGDNM-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998066938 705279357 /nfs/dbraw/zinc/27/93/57/705279357.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 1 3 349.519 1.961 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000998066938 705279363 /nfs/dbraw/zinc/27/93/63/705279363.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 1 3 349.519 1.961 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083016 705310827 /nfs/dbraw/zinc/31/08/27/705310827.db2.gz STICFFFLDOOQMV-INIZCTEOSA-N 1 3 347.507 1.573 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083016 705310831 /nfs/dbraw/zinc/31/08/31/705310831.db2.gz STICFFFLDOOQMV-INIZCTEOSA-N 1 3 347.507 1.573 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083030 705310881 /nfs/dbraw/zinc/31/08/81/705310881.db2.gz SXXVUWPWGLXALE-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO COc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000998116962 705372243 /nfs/dbraw/zinc/37/22/43/705372243.db2.gz XAKISAANLJBDBA-UHFFFAOYSA-N 1 3 343.431 1.384 20 0 EDADHO CC(C)n1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998265931 705637574 /nfs/dbraw/zinc/63/75/74/705637574.db2.gz NESLDGJJNDTIAH-QGZVFWFLSA-N 1 3 347.507 1.744 20 0 EDADHO CC(C)n1ccc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998265931 705637578 /nfs/dbraw/zinc/63/75/78/705637578.db2.gz NESLDGJJNDTIAH-QGZVFWFLSA-N 1 3 347.507 1.744 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CNCc2nccn2C)CC1 ZINC000998287001 705680897 /nfs/dbraw/zinc/68/08/97/705680897.db2.gz NUYXWZJKECXTAB-HOTGVXAUSA-N 1 3 347.507 1.621 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998289360 705686723 /nfs/dbraw/zinc/68/67/23/705686723.db2.gz IGKBTBHAOFDFRW-QZTJIDSGSA-N 1 3 337.508 1.726 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555207 705993706 /nfs/dbraw/zinc/99/37/06/705993706.db2.gz DDKLQQRMDXAFMP-YMAMQOFZSA-N 1 3 336.867 1.908 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554872 /nfs/dbraw/zinc/55/48/72/706554872.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 1 3 335.492 1.288 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554874 /nfs/dbraw/zinc/55/48/74/706554874.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 1 3 335.492 1.288 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999340698 706852244 /nfs/dbraw/zinc/85/22/44/706852244.db2.gz FDVYEYCKYZKFOV-UHFFFAOYSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999365178 706878398 /nfs/dbraw/zinc/87/83/98/706878398.db2.gz PTQILLOHEHSYTB-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000999405354 706914417 /nfs/dbraw/zinc/91/44/17/706914417.db2.gz GNXHALSCQMVSNY-IUDNXUCKSA-N 1 3 347.463 1.049 20 0 EDADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC000999405354 706914418 /nfs/dbraw/zinc/91/44/18/706914418.db2.gz GNXHALSCQMVSNY-IUDNXUCKSA-N 1 3 347.463 1.049 20 0 EDADHO O=C(N1CCC[C@@H](NCc2ccns2)C1)C12CCC[NH+]1CCC2 ZINC000999596350 707099454 /nfs/dbraw/zinc/09/94/54/707099454.db2.gz LMMHSCICONZJRR-CQSZACIVSA-N 1 3 334.489 1.852 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999687025 707239799 /nfs/dbraw/zinc/23/97/99/707239799.db2.gz DJAJDIBCQKQTFL-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1onc(C)c1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999687025 707239803 /nfs/dbraw/zinc/23/98/03/707239803.db2.gz DJAJDIBCQKQTFL-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999687772 707241601 /nfs/dbraw/zinc/24/16/01/707241601.db2.gz JQKWXMPQGOXWGE-NFOMZHRRSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999687772 707241605 /nfs/dbraw/zinc/24/16/05/707241605.db2.gz JQKWXMPQGOXWGE-NFOMZHRRSA-N 1 3 336.505 1.872 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946784401 707309024 /nfs/dbraw/zinc/30/90/24/707309024.db2.gz JGNOEWPRRZORSF-NXOAAHMSSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2CC1)N(C)C ZINC000946784401 707309032 /nfs/dbraw/zinc/30/90/32/707309032.db2.gz JGNOEWPRRZORSF-NXOAAHMSSA-N 1 3 325.497 1.532 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999834052 707466741 /nfs/dbraw/zinc/46/67/41/707466741.db2.gz PNKHPRUFRFCGES-UHFFFAOYSA-N 1 3 343.431 1.398 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCc2cnc(Cl)s2)C1 ZINC000999835461 707469309 /nfs/dbraw/zinc/46/93/09/707469309.db2.gz GHEZCSNDYWMQBJ-UNXYVOJBSA-N 1 3 342.896 1.827 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cnc(Cl)s2)C1 ZINC000999835461 707469311 /nfs/dbraw/zinc/46/93/11/707469311.db2.gz GHEZCSNDYWMQBJ-UNXYVOJBSA-N 1 3 342.896 1.827 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999871618 707514609 /nfs/dbraw/zinc/51/46/09/707514609.db2.gz WLIBYCWCXFKHFZ-ZLPCBKJTSA-N 1 3 345.487 1.977 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)C1 ZINC000999975507 707589743 /nfs/dbraw/zinc/58/97/43/707589743.db2.gz UCFYTIKSQQRVJO-IRXDYDNUSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](NCc3ccnn3C)C2)C1 ZINC000999975507 707589747 /nfs/dbraw/zinc/58/97/47/707589747.db2.gz UCFYTIKSQQRVJO-IRXDYDNUSA-N 1 3 347.507 1.623 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC)C2)nn1 ZINC000999987865 707660793 /nfs/dbraw/zinc/66/07/93/707660793.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 1 3 334.468 1.035 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC)C2)nn1 ZINC000999987865 707660798 /nfs/dbraw/zinc/66/07/98/707660798.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 1 3 334.468 1.035 20 0 EDADHO C[C@@H](NCc1ccnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926152 707667686 /nfs/dbraw/zinc/66/76/86/707667686.db2.gz KNAPTYRNFXKMIV-CRAIPNDOSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993604 707670924 /nfs/dbraw/zinc/67/09/24/707670924.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 1 3 348.495 1.422 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993604 707670926 /nfs/dbraw/zinc/67/09/26/707670926.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 1 3 348.495 1.422 20 0 EDADHO Cc1ncoc1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044728434 707740029 /nfs/dbraw/zinc/74/00/29/707740029.db2.gz OTGANOUTSWWPAE-CJNGLKHVSA-N 1 3 334.464 1.794 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CCCC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032733947 707742711 /nfs/dbraw/zinc/74/27/11/707742711.db2.gz NWYZFAMFUDSAEP-ROUUACIJSA-N 1 3 347.503 1.574 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CCC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032734164 707743996 /nfs/dbraw/zinc/74/39/96/707743996.db2.gz ZMLKGLNAKMEADA-IRXDYDNUSA-N 1 3 333.476 1.184 20 0 EDADHO CC(C)[NH+]1CCC(C2(NC(=O)[C@@H]3CN4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213930 707876091 /nfs/dbraw/zinc/87/60/91/707876091.db2.gz KXUDXEVFBYLFSV-RMXPPQQLSA-N 1 3 347.503 1.619 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCOC1 ZINC001032802231 708085496 /nfs/dbraw/zinc/08/54/96/708085496.db2.gz RICGRTRZXTZIJV-SQNIBIBYSA-N 1 3 335.492 1.574 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121180 708634955 /nfs/dbraw/zinc/63/49/55/708634955.db2.gz PGPAXEXJYJOMSG-INIZCTEOSA-N 1 3 334.464 1.571 20 0 EDADHO Cc1noc(C)c1CN1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121180 708634956 /nfs/dbraw/zinc/63/49/56/708634956.db2.gz PGPAXEXJYJOMSG-INIZCTEOSA-N 1 3 334.464 1.571 20 0 EDADHO Cc1ccc(CN2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC001002121598 708635427 /nfs/dbraw/zinc/63/54/27/708635427.db2.gz RXVHUESMKVHMCN-IBGZPJMESA-N 1 3 344.503 1.978 20 0 EDADHO Cc1ccc(CN2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC001002121598 708635430 /nfs/dbraw/zinc/63/54/30/708635430.db2.gz RXVHUESMKVHMCN-IBGZPJMESA-N 1 3 344.503 1.978 20 0 EDADHO CN(C(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423897 708941728 /nfs/dbraw/zinc/94/17/28/708941728.db2.gz GOZTUYFMTICTPY-ROUUACIJSA-N 1 3 335.492 1.573 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCCCN(CCO)C2)cc1 ZINC001034406207 709922087 /nfs/dbraw/zinc/92/20/87/709922087.db2.gz YEWYSISVUXHQMB-SFHVURJKSA-N 1 3 333.476 1.367 20 0 EDADHO CC(C)=CCN1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034434879 710007092 /nfs/dbraw/zinc/00/70/92/710007092.db2.gz DQUPXNHDKKYIJI-SFHVURJKSA-N 1 3 347.507 1.995 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034482122 710106602 /nfs/dbraw/zinc/10/66/02/710106602.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 1 3 339.524 1.994 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034482122 710106607 /nfs/dbraw/zinc/10/66/07/710106607.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 1 3 339.524 1.994 20 0 EDADHO CN1C[C@@H](C[NH2+]Cc2cnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000922211892 710442566 /nfs/dbraw/zinc/44/25/66/710442566.db2.gz KNPJHTSOFUMCRV-AEFFLSMTSA-N 1 3 326.444 1.848 20 0 EDADHO Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)C2)CC1 ZINC001034734960 710917717 /nfs/dbraw/zinc/91/77/17/710917717.db2.gz CQEDFKFDWWFSBY-WKILWMFISA-N 1 3 347.507 1.669 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738588 710953957 /nfs/dbraw/zinc/95/39/57/710953957.db2.gz ULEGIPCXSWYNRA-AJNGGQMLSA-N 1 3 336.505 1.858 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nccs2)CC1 ZINC001034738588 710953959 /nfs/dbraw/zinc/95/39/59/710953959.db2.gz ULEGIPCXSWYNRA-AJNGGQMLSA-N 1 3 336.505 1.858 20 0 EDADHO CN(C)c1ccncc1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003982946 711181607 /nfs/dbraw/zinc/18/16/07/711181607.db2.gz FTTFUFNCCSYLEF-UHFFFAOYSA-N 1 3 342.447 1.276 20 0 EDADHO CN(C)c1cc[nH+]cc1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003982946 711181610 /nfs/dbraw/zinc/18/16/10/711181610.db2.gz FTTFUFNCCSYLEF-UHFFFAOYSA-N 1 3 342.447 1.276 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388051 711429693 /nfs/dbraw/zinc/42/96/93/711429693.db2.gz NTHQVAGPIRKPQF-SKWUIDRYSA-N 1 3 334.460 1.970 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388051 711429696 /nfs/dbraw/zinc/42/96/96/711429696.db2.gz NTHQVAGPIRKPQF-SKWUIDRYSA-N 1 3 334.460 1.970 20 0 EDADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936778 711437136 /nfs/dbraw/zinc/43/71/36/711437136.db2.gz WAEBULBLPMUNNR-MSOLQXFVSA-N 1 3 347.507 1.682 20 0 EDADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936778 711437137 /nfs/dbraw/zinc/43/71/37/711437137.db2.gz WAEBULBLPMUNNR-MSOLQXFVSA-N 1 3 347.507 1.682 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386550 711448046 /nfs/dbraw/zinc/44/80/46/711448046.db2.gz FWYGHHOMUINHHU-VXNCWWDNSA-N 1 3 348.491 1.286 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386550 711448049 /nfs/dbraw/zinc/44/80/49/711448049.db2.gz FWYGHHOMUINHHU-VXNCWWDNSA-N 1 3 348.491 1.286 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395535 711469072 /nfs/dbraw/zinc/46/90/72/711469072.db2.gz SSBRURNINFRVIU-NXWXRZEISA-N 1 3 332.492 1.789 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395535 711469074 /nfs/dbraw/zinc/46/90/74/711469074.db2.gz SSBRURNINFRVIU-NXWXRZEISA-N 1 3 332.492 1.789 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC001004146870 711557564 /nfs/dbraw/zinc/55/75/64/711557564.db2.gz BJMJMKKNTSFNQT-FUHWJXTLSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC001004146870 711557565 /nfs/dbraw/zinc/55/75/65/711557565.db2.gz BJMJMKKNTSFNQT-FUHWJXTLSA-N 1 3 331.460 1.252 20 0 EDADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]2CC1)C1CC1 ZINC000946623303 711922934 /nfs/dbraw/zinc/92/29/34/711922934.db2.gz GWVDCNLMGBQEQP-BBWFWOEESA-N 1 3 325.472 1.857 20 0 EDADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1)C1CC1 ZINC000946623303 711922935 /nfs/dbraw/zinc/92/29/35/711922935.db2.gz GWVDCNLMGBQEQP-BBWFWOEESA-N 1 3 325.472 1.857 20 0 EDADHO CN(C)CCOc1cc(C(=O)NCC2([NH+](C)C)CCCC2)ccn1 ZINC000272672440 282110195 /nfs/dbraw/zinc/11/01/95/282110195.db2.gz KWBFQRKUVHXFDX-UHFFFAOYSA-N 1 3 334.464 1.626 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)CNC[C@H]2CCCO2)CC1 ZINC000166852724 530050469 /nfs/dbraw/zinc/05/04/69/530050469.db2.gz BKKOLRUDLYRDFQ-MRXNPFEDSA-N 1 3 346.475 1.900 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000178361533 232144743 /nfs/dbraw/zinc/14/47/43/232144743.db2.gz JIRVMSKYMZIWLP-UHFFFAOYSA-N 1 3 330.476 1.329 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccn1 ZINC000560546672 306274115 /nfs/dbraw/zinc/27/41/15/306274115.db2.gz MXHGKXJEKLMRMY-UHFFFAOYSA-N 1 3 335.496 1.494 20 0 EDADHO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCC1=Cc2ccccc2OC1 ZINC000102426561 219203159 /nfs/dbraw/zinc/20/31/59/219203159.db2.gz XWZKDOTUSIMTJI-GOSISDBHSA-N 1 3 343.471 1.995 20 0 EDADHO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCC1=Cc2ccccc2OC1 ZINC000102426561 219203161 /nfs/dbraw/zinc/20/31/61/219203161.db2.gz XWZKDOTUSIMTJI-GOSISDBHSA-N 1 3 343.471 1.995 20 0 EDADHO C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000355354177 299156069 /nfs/dbraw/zinc/15/60/69/299156069.db2.gz RNELAPJSQOHSJG-DOTOQJQBSA-N 1 3 336.480 1.555 20 0 EDADHO CCCN1CCC([NH2+]CCNS(=O)(=O)c2ccccc2)CC1 ZINC000006879357 539750500 /nfs/dbraw/zinc/75/05/00/539750500.db2.gz AXEAWJKIXACJAI-UHFFFAOYSA-N 1 3 325.478 1.429 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000479547374 539984390 /nfs/dbraw/zinc/98/43/90/539984390.db2.gz NXLWSSLLSAUIPC-OAHLLOKOSA-N 1 3 348.491 1.824 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000342765987 291049080 /nfs/dbraw/zinc/04/90/80/291049080.db2.gz RJDAGEDPYCWDGV-OAGGEKHMSA-N 1 3 339.480 1.380 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000342765987 291049084 /nfs/dbraw/zinc/04/90/84/291049084.db2.gz RJDAGEDPYCWDGV-OAGGEKHMSA-N 1 3 339.480 1.380 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000041712073 138104316 /nfs/dbraw/zinc/10/43/16/138104316.db2.gz OIQGGMZCVWWYDN-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO COc1ncncc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120292977 138315297 /nfs/dbraw/zinc/31/52/97/138315297.db2.gz PWNFOAGODXDNKM-UHFFFAOYSA-N 1 3 348.451 1.165 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CCN1Cc1ccccc1 ZINC000417828687 291135112 /nfs/dbraw/zinc/13/51/12/291135112.db2.gz FUURKCBQMCZMJC-DOTOQJQBSA-N 1 3 334.464 1.002 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157188 /nfs/dbraw/zinc/15/71/88/291157188.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157189 /nfs/dbraw/zinc/15/71/89/291157189.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 1 3 334.508 1.985 20 0 EDADHO COCC[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414325042 304106357 /nfs/dbraw/zinc/10/63/57/304106357.db2.gz LKTAJWQGMPKBHD-HNNXBMFYSA-N 1 3 333.476 1.899 20 0 EDADHO COC1(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCCCC1 ZINC000414478006 304117911 /nfs/dbraw/zinc/11/79/11/304117911.db2.gz CUXFJAIFXUDFPT-UHFFFAOYSA-N 1 3 339.524 1.722 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703060 304129787 /nfs/dbraw/zinc/12/97/87/304129787.db2.gz LMKZZBSMBUVHLH-CYBMUJFWSA-N 1 3 330.432 1.076 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCC[C@H](C)C1 ZINC000414708401 304130867 /nfs/dbraw/zinc/13/08/67/304130867.db2.gz QHGVXHDRJYKFIL-KBPBESRZSA-N 1 3 332.448 1.320 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000414735308 304134949 /nfs/dbraw/zinc/13/49/49/304134949.db2.gz GTQVNYDREHHXLF-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO CN1CCN(c2ncc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)CC1 ZINC000414773672 304139419 /nfs/dbraw/zinc/13/94/19/304139419.db2.gz DQRIAHJDCWCIEV-ROUUACIJSA-N 1 3 344.507 1.050 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773537 304139182 /nfs/dbraw/zinc/13/91/82/304139182.db2.gz DNGHVYKPPNFLJG-LSDHHAIUSA-N 1 3 327.428 1.604 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)(C)n1cncn1 ZINC000377806136 296118637 /nfs/dbraw/zinc/11/86/37/296118637.db2.gz BLVYEPWBUKJJCT-QGZVFWFLSA-N 1 3 348.539 1.942 20 0 EDADHO COCCOc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414783220 304140200 /nfs/dbraw/zinc/14/02/00/304140200.db2.gz PQJIILDDGGPFEY-QGZVFWFLSA-N 1 3 334.460 1.899 20 0 EDADHO CCOC1CC(CN[C@@H](C)C[C@H]2CCC[NH2+]2)(N2CCOCC2)C1 ZINC000415105154 304160531 /nfs/dbraw/zinc/16/05/31/304160531.db2.gz MEFMQMCKZLYIKF-KNXWPPODSA-N 1 3 325.497 1.377 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000415118007 304161353 /nfs/dbraw/zinc/16/13/53/304161353.db2.gz XRCZMBDAYYUCLB-KRWDZBQOSA-N 1 3 344.459 1.431 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)cc1 ZINC000415139047 304163541 /nfs/dbraw/zinc/16/35/41/304163541.db2.gz HSKAIYYJPPGRHE-XJKSGUPXSA-N 1 3 330.432 1.040 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236955434 139036428 /nfs/dbraw/zinc/03/64/28/139036428.db2.gz ADFOEZVYSOMOCE-LJQANCHMSA-N 1 3 344.503 1.582 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237193101 139043534 /nfs/dbraw/zinc/04/35/34/139043534.db2.gz DLZJZDGHWMQDHZ-AWEZNQCLSA-N 1 3 325.478 1.312 20 0 EDADHO COCCNCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237193101 139043535 /nfs/dbraw/zinc/04/35/35/139043535.db2.gz DLZJZDGHWMQDHZ-AWEZNQCLSA-N 1 3 325.478 1.312 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000567382537 306449852 /nfs/dbraw/zinc/44/98/52/306449852.db2.gz JMWDYBLJPOGUQV-IRXDYDNUSA-N 1 3 331.464 1.508 20 0 EDADHO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CCN(CCc2ccccn2)CC1 ZINC000237287310 139046537 /nfs/dbraw/zinc/04/65/37/139046537.db2.gz QRHYCGBPJIYWGY-HOTGVXAUSA-N 1 3 330.476 1.674 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000237402420 139050169 /nfs/dbraw/zinc/05/01/69/139050169.db2.gz KOYKBAWSIZVNSP-VUCRHFMTSA-N 1 3 337.508 1.913 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415202378 304173899 /nfs/dbraw/zinc/17/38/99/304173899.db2.gz NXBBHWULADASNI-UHFFFAOYSA-N 1 3 344.459 1.215 20 0 EDADHO [NH3+][C@H]1CCC[C@H](C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000238039552 139067465 /nfs/dbraw/zinc/06/74/65/139067465.db2.gz BQOPIVGHVFIUAB-GJZGRUSLSA-N 1 3 325.522 1.982 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000238019056 139066633 /nfs/dbraw/zinc/06/66/33/139066633.db2.gz DWXCCMXOIQSYQQ-GOSISDBHSA-N 1 3 330.476 1.457 20 0 EDADHO O=C(NCCCOC1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000238060960 139067938 /nfs/dbraw/zinc/06/79/38/139067938.db2.gz IPBFLEPFFGQHBS-SFHVURJKSA-N 1 3 345.487 1.783 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246786975 139121601 /nfs/dbraw/zinc/12/16/01/139121601.db2.gz ZTLOOQOFILTTEQ-ZIFCJYIRSA-N 1 3 342.524 1.984 20 0 EDADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCCNCC1 ZINC000415312618 304191970 /nfs/dbraw/zinc/19/19/70/304191970.db2.gz CZRDJMUPGWEIOR-UHFFFAOYSA-N 1 3 344.459 1.085 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972057 139156595 /nfs/dbraw/zinc/15/65/95/139156595.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247972057 139156596 /nfs/dbraw/zinc/15/65/96/139156596.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000247972057 139156597 /nfs/dbraw/zinc/15/65/97/139156597.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000247972057 139156598 /nfs/dbraw/zinc/15/65/98/139156598.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO C[C@H](NC(=O)C[C@H]1CNCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550240 139208889 /nfs/dbraw/zinc/20/88/89/139208889.db2.gz LBNYZZZZCDBBKS-SZMVWBNQSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H](NC(=O)C[C@H]1CNCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261550240 139208890 /nfs/dbraw/zinc/20/88/90/139208890.db2.gz LBNYZZZZCDBBKS-SZMVWBNQSA-N 1 3 331.460 1.392 20 0 EDADHO CCOc1ccc(OCCN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261612989 139211083 /nfs/dbraw/zinc/21/10/83/139211083.db2.gz DYKPQUCUJJIAJU-OAHLLOKOSA-N 1 3 335.448 1.251 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670803 139216097 /nfs/dbraw/zinc/21/60/97/139216097.db2.gz BUUQEXIKGFMCFQ-NVXWUHKLSA-N 1 3 331.460 1.664 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261670803 139216098 /nfs/dbraw/zinc/21/60/98/139216098.db2.gz BUUQEXIKGFMCFQ-NVXWUHKLSA-N 1 3 331.460 1.664 20 0 EDADHO Cc1ncsc1CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965784 139240581 /nfs/dbraw/zinc/24/05/81/139240581.db2.gz YILNQKRRCDACQB-HUUCEWRRSA-N 1 3 336.505 1.574 20 0 EDADHO Cc1nn(-c2ccccc2)c(C)c1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262124861 139252972 /nfs/dbraw/zinc/25/29/72/139252972.db2.gz MVSNCMAZPIRLJN-LJQANCHMSA-N 1 3 339.487 1.969 20 0 EDADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000262116743 139252193 /nfs/dbraw/zinc/25/21/93/139252193.db2.gz IUIPVHYVAPGIAV-INIZCTEOSA-N 1 3 333.480 1.924 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c1 ZINC000415421410 250921325 /nfs/dbraw/zinc/92/13/25/250921325.db2.gz XSVVAZKQRAQDCE-AWEZNQCLSA-N 1 3 334.464 1.439 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994989 251044149 /nfs/dbraw/zinc/04/41/49/251044149.db2.gz MKVFTZUPBZEJKF-UONOGXRCSA-N 1 3 346.397 1.738 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994988 251044554 /nfs/dbraw/zinc/04/45/54/251044554.db2.gz MKVFTZUPBZEJKF-KGLIPLIRSA-N 1 3 346.397 1.738 20 0 EDADHO COC[C@]1(CNC(=O)NCc2ccc(CN(C)C)cc2)CCC[NH2+]1 ZINC000416877973 251116407 /nfs/dbraw/zinc/11/64/07/251116407.db2.gz DETLTOUYGMEOPZ-GOSISDBHSA-N 1 3 334.464 1.316 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417012946 251130881 /nfs/dbraw/zinc/13/08/81/251130881.db2.gz BESQZMXATGEAPF-MAUKXSAKSA-N 1 3 330.476 1.732 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000262317720 139269541 /nfs/dbraw/zinc/26/95/41/139269541.db2.gz ZXIAXBGFBAINMS-WMZOPIPTSA-N 1 3 346.475 1.039 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417087957 251140690 /nfs/dbraw/zinc/14/06/90/251140690.db2.gz FWWWJRQAGNHGIN-DLBZAZTESA-N 1 3 334.464 1.010 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417221451 251148002 /nfs/dbraw/zinc/14/80/02/251148002.db2.gz NMPWCFGUDVBRKS-WBVHZDCISA-N 1 3 334.464 1.357 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417385207 251160666 /nfs/dbraw/zinc/16/06/66/251160666.db2.gz LUNBLTVAQWLTLD-MRXNPFEDSA-N 1 3 348.495 1.020 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417562968 251188538 /nfs/dbraw/zinc/18/85/38/251188538.db2.gz GNCLKKNPVNKIRH-JYJNAYRXSA-N 1 3 326.485 1.162 20 0 EDADHO COCCCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417439404 251173972 /nfs/dbraw/zinc/17/39/72/251173972.db2.gz LMWBNTGOIXQBGB-CABCVRRESA-N 1 3 326.485 1.304 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417651509 251214253 /nfs/dbraw/zinc/21/42/53/251214253.db2.gz NKCIUPVTBJTIGD-FUHWJXTLSA-N 1 3 330.476 1.950 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761046 251260132 /nfs/dbraw/zinc/26/01/32/251260132.db2.gz YPJCGERZZHFMSL-OAHLLOKOSA-N 1 3 327.517 1.077 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000417991801 251319530 /nfs/dbraw/zinc/31/95/30/251319530.db2.gz LQCLHCHXZJGTQT-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000418105077 251322955 /nfs/dbraw/zinc/32/29/55/251322955.db2.gz YZPMYLWTOQMWQZ-RRFJBIMHSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111286 251327100 /nfs/dbraw/zinc/32/71/00/251327100.db2.gz GRLPPHNJZPWCMR-WBVHZDCISA-N 1 3 340.512 1.694 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000418113934 251329580 /nfs/dbraw/zinc/32/95/80/251329580.db2.gz KOHXNILPVOFOBH-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCCO1 ZINC000418117699 251330507 /nfs/dbraw/zinc/33/05/07/251330507.db2.gz SBLVVKRRBFPMRX-HOTGVXAUSA-N 1 3 326.485 1.258 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418426123 251367276 /nfs/dbraw/zinc/36/72/76/251367276.db2.gz LJYXNLVYMSIECY-OAHLLOKOSA-N 1 3 339.528 1.314 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN(C)CC1 ZINC000418193930 251353669 /nfs/dbraw/zinc/35/36/69/251353669.db2.gz CTEORZXBZQZZQC-KGLIPLIRSA-N 1 3 326.510 1.065 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)CC1 ZINC000262626387 139291097 /nfs/dbraw/zinc/29/10/97/139291097.db2.gz BVTWFZCQYGHJDK-UHFFFAOYSA-N 1 3 344.503 1.712 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262630423 139291361 /nfs/dbraw/zinc/29/13/61/139291361.db2.gz DRBWUVRHWCGZQP-QZTJIDSGSA-N 1 3 330.476 1.178 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H](C[NH3+])OC)cc2)CC1 ZINC000262785663 139303558 /nfs/dbraw/zinc/30/35/58/139303558.db2.gz CPZDUYSVYOJAFM-KRWDZBQOSA-N 1 3 334.464 1.126 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000262881010 139310103 /nfs/dbraw/zinc/31/01/03/139310103.db2.gz VZMTVMQYZRRTQJ-SJLPKXTDSA-N 1 3 330.476 1.313 20 0 EDADHO CN(CC[NH3+])C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000424013299 252114618 /nfs/dbraw/zinc/11/46/18/252114618.db2.gz WGMLTUCYSRLPAH-OAHLLOKOSA-N 1 3 329.366 1.858 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424081006 252126990 /nfs/dbraw/zinc/12/69/90/252126990.db2.gz USEMQTMPFAKCHB-HNNXBMFYSA-N 1 3 326.404 1.101 20 0 EDADHO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[n-]c3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154501 252148198 /nfs/dbraw/zinc/14/81/98/252148198.db2.gz MNQIBSHADQIBNI-WCQYABFASA-N 1 3 340.431 1.340 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917168 139312588 /nfs/dbraw/zinc/31/25/88/139312588.db2.gz ZBFSCCYRPSHSCN-HIFRSBDPSA-N 1 3 332.448 1.450 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000424464581 252237822 /nfs/dbraw/zinc/23/78/22/252237822.db2.gz ITLLZMJPKGCHMN-CJNGLKHVSA-N 1 3 332.448 1.333 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000424464586 252237921 /nfs/dbraw/zinc/23/79/21/252237921.db2.gz ITLLZMJPKGCHMN-CZUORRHYSA-N 1 3 332.448 1.333 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCCC2)c1 ZINC000424435370 252230598 /nfs/dbraw/zinc/23/05/98/252230598.db2.gz GGKGCWIDHQPCLM-KRWDZBQOSA-N 1 3 346.475 1.629 20 0 EDADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475019 252244210 /nfs/dbraw/zinc/24/42/10/252244210.db2.gz YJIOLVHKANDVIV-IRXDYDNUSA-N 1 3 344.459 1.477 20 0 EDADHO COCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365789359 285012087 /nfs/dbraw/zinc/01/20/87/285012087.db2.gz WSWREPBSRZQSHM-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO COCCN1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365789359 285012089 /nfs/dbraw/zinc/01/20/89/285012089.db2.gz WSWREPBSRZQSHM-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261798565 285020068 /nfs/dbraw/zinc/02/00/68/285020068.db2.gz ZTPBJXKALPIFIG-KRWDZBQOSA-N 1 3 327.428 1.747 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330734 306537604 /nfs/dbraw/zinc/53/76/04/306537604.db2.gz JJKBQMMIIKSYNW-IRXDYDNUSA-N 1 3 342.447 1.381 20 0 EDADHO CN(C)CCOCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000471643110 255015234 /nfs/dbraw/zinc/01/52/34/255015234.db2.gz GESHRYROZRZUMX-UHFFFAOYSA-N 1 3 348.491 1.660 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164389 255359833 /nfs/dbraw/zinc/35/98/33/255359833.db2.gz BKVQWRMUWWSSMC-JKSUJKDBSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164389 255359834 /nfs/dbraw/zinc/35/98/34/255359834.db2.gz BKVQWRMUWWSSMC-JKSUJKDBSA-N 1 3 343.512 1.924 20 0 EDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164389 255359835 /nfs/dbraw/zinc/35/98/35/255359835.db2.gz BKVQWRMUWWSSMC-JKSUJKDBSA-N 1 3 343.512 1.924 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CNC(=O)OC(C)(C)C ZINC000496341922 255383654 /nfs/dbraw/zinc/38/36/54/255383654.db2.gz IOFDVDWUKYMVRO-UONOGXRCSA-N 1 3 341.500 1.745 20 0 EDADHO CCN(CCCO)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738000 140159275 /nfs/dbraw/zinc/15/92/75/140159275.db2.gz POCTTXFFKSWGIF-KRWDZBQOSA-N 1 3 347.503 1.860 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC3([NH+](C)C)CC3)CC2)c1 ZINC000416304370 304307568 /nfs/dbraw/zinc/30/75/68/304307568.db2.gz URYDVJGWIFQRBT-UHFFFAOYSA-N 1 3 344.503 1.718 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000333183641 141277344 /nfs/dbraw/zinc/27/73/44/141277344.db2.gz SLHHEZLBQXNXIB-YOEHRIQHSA-N 1 3 331.460 1.741 20 0 EDADHO CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333274359 141291033 /nfs/dbraw/zinc/29/10/33/141291033.db2.gz GNNGECQNMXQLDE-UKRRQHHQSA-N 1 3 331.464 1.703 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471216 141322764 /nfs/dbraw/zinc/32/27/64/141322764.db2.gz ASXPRBMMAVBGKX-HOCLYGCPSA-N 1 3 329.510 1.312 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000333542514 141334112 /nfs/dbraw/zinc/33/41/12/141334112.db2.gz ODRXBDCLSMYWKE-ZACQAIPSSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1 ZINC000333542514 141334113 /nfs/dbraw/zinc/33/41/13/141334113.db2.gz ODRXBDCLSMYWKE-ZACQAIPSSA-N 1 3 338.496 1.271 20 0 EDADHO COCCN(C)CCNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011278 /nfs/dbraw/zinc/01/12/78/142011278.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 1 3 328.501 1.232 20 0 EDADHO COCCN(C)CCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011279 /nfs/dbraw/zinc/01/12/79/142011279.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 1 3 328.501 1.232 20 0 EDADHO CN1CCN(C(=O)CCN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236020 142315690 /nfs/dbraw/zinc/31/56/90/142315690.db2.gz NXVBLURFASMXGK-MOPGFXCFSA-N 1 3 344.503 1.576 20 0 EDADHO CN1CCN(C(=O)CCN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340236020 142315691 /nfs/dbraw/zinc/31/56/91/142315691.db2.gz NXVBLURFASMXGK-MOPGFXCFSA-N 1 3 344.503 1.576 20 0 EDADHO CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)N(C)C ZINC000344919488 143026960 /nfs/dbraw/zinc/02/69/60/143026960.db2.gz GQVQATHYMLCJHN-HOTGVXAUSA-N 1 3 342.528 1.076 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)N(C)C1 ZINC000345966760 143152296 /nfs/dbraw/zinc/15/22/96/143152296.db2.gz BWEDFSHXOXDSAN-DLBZAZTESA-N 1 3 340.512 1.469 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCCCC2)N(C)C1 ZINC000345999560 143155745 /nfs/dbraw/zinc/15/57/45/143155745.db2.gz VSMMRTCWGRMURZ-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000346000102 143155924 /nfs/dbraw/zinc/15/59/24/143155924.db2.gz YMRMNGYEBHTKFT-IAGOWNOFSA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000346000102 143155925 /nfs/dbraw/zinc/15/59/25/143155925.db2.gz YMRMNGYEBHTKFT-IAGOWNOFSA-N 1 3 335.492 1.765 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1COCCN1C ZINC000347014541 143271604 /nfs/dbraw/zinc/27/16/04/143271604.db2.gz OJPOEXJGJCLXMS-MSOLQXFVSA-N 1 3 346.475 1.225 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1COCCN1C ZINC000347014541 143271605 /nfs/dbraw/zinc/27/16/05/143271605.db2.gz OJPOEXJGJCLXMS-MSOLQXFVSA-N 1 3 346.475 1.225 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030331 143273893 /nfs/dbraw/zinc/27/38/93/143273893.db2.gz XTDIDXFUYZIXQC-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347036662 143274661 /nfs/dbraw/zinc/27/46/61/143274661.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347036662 143274662 /nfs/dbraw/zinc/27/46/62/143274662.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000347648559 143345263 /nfs/dbraw/zinc/34/52/63/143345263.db2.gz PKYFGKQTEPKVBZ-GJZGRUSLSA-N 1 3 331.460 1.909 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000348083466 143398790 /nfs/dbraw/zinc/39/87/90/143398790.db2.gz YHIZTSMMQYLKMR-ZACQAIPSSA-N 1 3 340.512 1.611 20 0 EDADHO COC[C@@]1(CNC(=O)N(C)[C@H](C)C2CCN(C)CC2)CCC[NH2+]1 ZINC000572825418 306599790 /nfs/dbraw/zinc/59/97/90/306599790.db2.gz HBFRADUZJAFYGK-PBHICJAKSA-N 1 3 326.485 1.127 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000416843010 304351100 /nfs/dbraw/zinc/35/11/00/304351100.db2.gz OCVCQYBYOBLESH-GOSISDBHSA-N 1 3 332.492 1.800 20 0 EDADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846835 304351762 /nfs/dbraw/zinc/35/17/62/304351762.db2.gz UQDJZNNAWPFWCH-IEBWSBKVSA-N 1 3 346.475 1.329 20 0 EDADHO NC(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000353422603 149398664 /nfs/dbraw/zinc/39/86/64/149398664.db2.gz BMTIGQWUEKYFCA-KBPBESRZSA-N 1 3 329.366 1.557 20 0 EDADHO NC(C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(F)(F)F ZINC000353422603 149398669 /nfs/dbraw/zinc/39/86/69/149398669.db2.gz BMTIGQWUEKYFCA-KBPBESRZSA-N 1 3 329.366 1.557 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416977107 304359662 /nfs/dbraw/zinc/35/96/62/304359662.db2.gz SFYVCPUPPNZJKG-DOTOQJQBSA-N 1 3 348.491 1.944 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)NCCC[NH3+])CC2)c1 ZINC000417051073 304366861 /nfs/dbraw/zinc/36/68/61/304366861.db2.gz MMWMKNSABDXNAW-UHFFFAOYSA-N 1 3 347.507 1.545 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000357354549 151005803 /nfs/dbraw/zinc/00/58/03/151005803.db2.gz OPQPCPOOOBCNOA-MRXNPFEDSA-N 1 3 339.480 1.811 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358122678 151279471 /nfs/dbraw/zinc/27/94/71/151279471.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 1 3 334.508 1.146 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358122678 151279474 /nfs/dbraw/zinc/27/94/74/151279474.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 1 3 334.508 1.146 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(CCN2CCCCC2)c1 ZINC000360509448 152074473 /nfs/dbraw/zinc/07/44/73/152074473.db2.gz XTIFBSWYXVKBTM-MRXNPFEDSA-N 1 3 345.491 1.583 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cnn(CCN2CCCCC2)c1 ZINC000360509448 152074476 /nfs/dbraw/zinc/07/44/76/152074476.db2.gz XTIFBSWYXVKBTM-MRXNPFEDSA-N 1 3 345.491 1.583 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCSC1 ZINC000360745763 152182286 /nfs/dbraw/zinc/18/22/86/152182286.db2.gz NDJDNXYILYIISI-DOTOQJQBSA-N 1 3 342.553 1.940 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCSC1 ZINC000360745763 152182289 /nfs/dbraw/zinc/18/22/89/152182289.db2.gz NDJDNXYILYIISI-DOTOQJQBSA-N 1 3 342.553 1.940 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)[C@H](C[NH3+])C1 ZINC000417197196 304383359 /nfs/dbraw/zinc/38/33/59/304383359.db2.gz PYKWDXKRGOIAOP-OKZBNKHCSA-N 1 3 348.491 1.307 20 0 EDADHO COc1ccc([C@H](C)NCCCN2CC[NH2+]CC2)cc1NC(C)=O ZINC000423177241 286369155 /nfs/dbraw/zinc/36/91/55/286369155.db2.gz IPZOUINDTGWYEU-AWEZNQCLSA-N 1 3 334.464 1.600 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCCCC[NH3+])CC2)cc1 ZINC000417326965 304392153 /nfs/dbraw/zinc/39/21/53/304392153.db2.gz GQWSNHFTAMEADF-UHFFFAOYSA-N 1 3 348.491 1.945 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)[C@@H](C[NH3+])C1 ZINC000417340125 304392685 /nfs/dbraw/zinc/39/26/85/304392685.db2.gz ABRJCLNDGOWBEA-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)N2CCCC2)cc1 ZINC000417351326 304394173 /nfs/dbraw/zinc/39/41/73/304394173.db2.gz CEZZPNNXUNEEDG-OKZBNKHCSA-N 1 3 346.475 1.011 20 0 EDADHO C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)CN1 ZINC000417486706 304399858 /nfs/dbraw/zinc/39/98/58/304399858.db2.gz YYEYELSBLJHEPZ-HOTGVXAUSA-N 1 3 348.491 1.909 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000371815770 156118935 /nfs/dbraw/zinc/11/89/35/156118935.db2.gz WLGIWPANUAIEOL-MRXNPFEDSA-N 1 3 333.480 1.393 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000417524702 304403310 /nfs/dbraw/zinc/40/33/10/304403310.db2.gz KABKMOCMMSFXDD-UHFFFAOYSA-N 1 3 348.491 1.563 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)[C@@H]3C2)CC1 ZINC000375059962 292348828 /nfs/dbraw/zinc/34/88/28/292348828.db2.gz KZWKTBXFWQJTMT-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417439427 292348888 /nfs/dbraw/zinc/34/88/88/292348888.db2.gz LPNOIYUCCASQDL-GOSISDBHSA-N 1 3 338.496 1.272 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000417545407 304404427 /nfs/dbraw/zinc/40/44/27/304404427.db2.gz JPOPNEZWZFFQRO-ZFWWWQNUSA-N 1 3 326.485 1.302 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CC12CCOCC2 ZINC000575179750 306666623 /nfs/dbraw/zinc/66/66/23/306666623.db2.gz MSJBHRVIBXISPH-RDJZCZTQSA-N 1 3 329.444 1.087 20 0 EDADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295077 157230417 /nfs/dbraw/zinc/23/04/17/157230417.db2.gz IXGACCWFYMZDBS-KGLIPLIRSA-N 1 3 348.491 1.559 20 0 EDADHO C[C@H](C(=O)NC(=O)NC1CC1)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374295077 157230421 /nfs/dbraw/zinc/23/04/21/157230421.db2.gz IXGACCWFYMZDBS-KGLIPLIRSA-N 1 3 348.491 1.559 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000352208720 162052204 /nfs/dbraw/zinc/05/22/04/162052204.db2.gz SFKDTKJNTABUIF-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363063540 162312472 /nfs/dbraw/zinc/31/24/72/162312472.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363063540 162312478 /nfs/dbraw/zinc/31/24/78/162312478.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CCN(C)CC1 ZINC000418202977 304463123 /nfs/dbraw/zinc/46/31/23/304463123.db2.gz UUSWGVKHEDLSSQ-AWEZNQCLSA-N 1 3 328.526 1.631 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418328991 304480715 /nfs/dbraw/zinc/48/07/15/304480715.db2.gz OHPMYLBEKOCMBV-GOSISDBHSA-N 1 3 345.491 1.735 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418338464 304482968 /nfs/dbraw/zinc/48/29/68/304482968.db2.gz KZLOWOSXYOQMIF-YOEHRIQHSA-N 1 3 334.464 1.597 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362796171 287391102 /nfs/dbraw/zinc/39/11/02/287391102.db2.gz SVDMSRYGCIDWMU-OAGGEKHMSA-N 1 3 333.480 1.800 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000665763936 452348280 /nfs/dbraw/zinc/34/82/80/452348280.db2.gz POSZNIWFPGVJAX-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC[C@@H](C)O1 ZINC000665763936 452348291 /nfs/dbraw/zinc/34/82/91/452348291.db2.gz POSZNIWFPGVJAX-ARFHVFGLSA-N 1 3 328.501 1.515 20 0 EDADHO COCCNCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000237176676 273008481 /nfs/dbraw/zinc/00/84/81/273008481.db2.gz WZTBLHUMURCOSP-INIZCTEOSA-N 1 3 349.475 1.239 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237682690 273011884 /nfs/dbraw/zinc/01/18/84/273011884.db2.gz JULHEIWOSXNGCY-SQNIBIBYSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237682690 273011886 /nfs/dbraw/zinc/01/18/86/273011886.db2.gz JULHEIWOSXNGCY-SQNIBIBYSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261749311 273017292 /nfs/dbraw/zinc/01/72/92/273017292.db2.gz LAUGCEXQPVODNL-IEBWSBKVSA-N 1 3 345.487 1.721 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261749311 273017293 /nfs/dbraw/zinc/01/72/93/273017293.db2.gz LAUGCEXQPVODNL-IEBWSBKVSA-N 1 3 345.487 1.721 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655911704 452668465 /nfs/dbraw/zinc/66/84/65/452668465.db2.gz LWPMGUHUOJOULV-FRRDWIJNSA-N 1 3 338.418 1.933 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655911704 452668469 /nfs/dbraw/zinc/66/84/69/452668469.db2.gz LWPMGUHUOJOULV-FRRDWIJNSA-N 1 3 338.418 1.933 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000279330186 273293517 /nfs/dbraw/zinc/29/35/17/273293517.db2.gz TVDOMOOESARZTF-CGTJXYLNSA-N 1 3 333.476 1.546 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915105 452674278 /nfs/dbraw/zinc/67/42/78/452674278.db2.gz LHHPPAHIRGOSOY-LBPRGKRZSA-N 1 3 333.358 1.044 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000417312155 274063535 /nfs/dbraw/zinc/06/35/35/274063535.db2.gz NCVAEORHMDJPJN-KURKYZTESA-N 1 3 348.491 1.745 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422879576 274305263 /nfs/dbraw/zinc/30/52/63/274305263.db2.gz MPBSIMRUMRAKOW-HNJNHCNJSA-N 1 3 330.432 1.219 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378436124 276211118 /nfs/dbraw/zinc/21/11/18/276211118.db2.gz VMKJXNVPFVDIMO-MAUKXSAKSA-N 1 3 338.540 1.780 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000338283140 278111795 /nfs/dbraw/zinc/11/17/95/278111795.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 1 3 341.521 1.217 20 0 EDADHO CS(=O)(=O)N1CC[C@H](CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000338283140 278111797 /nfs/dbraw/zinc/11/17/97/278111797.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 1 3 341.521 1.217 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272754165 278228877 /nfs/dbraw/zinc/22/88/77/278228877.db2.gz JJRPDFSQIXKSPJ-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000358722428 278232692 /nfs/dbraw/zinc/23/26/92/278232692.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000358722428 278232693 /nfs/dbraw/zinc/23/26/93/278232693.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 1 3 348.491 1.263 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000341242581 279302696 /nfs/dbraw/zinc/30/26/96/279302696.db2.gz WZHOCNGZJZKFIK-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000341242581 279302697 /nfs/dbraw/zinc/30/26/97/279302697.db2.gz WZHOCNGZJZKFIK-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262738543 279667945 /nfs/dbraw/zinc/66/79/45/279667945.db2.gz CJYATBIJQRGQHH-SJLPKXTDSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000418197554 280104391 /nfs/dbraw/zinc/10/43/91/280104391.db2.gz TWWRZCZATKOWEX-RANZSIQMSA-N 1 3 328.460 1.653 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000345476109 280247028 /nfs/dbraw/zinc/24/70/28/280247028.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)N1CCN(C)CC1 ZINC000345476109 280247033 /nfs/dbraw/zinc/24/70/33/280247033.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 1 3 339.528 1.040 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245475 281460645 /nfs/dbraw/zinc/46/06/45/281460645.db2.gz PLQYHJUQIYSECI-MBOZVWFJSA-N 1 3 349.519 1.853 20 0 EDADHO C[NH+](C)CCNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000378286973 289160817 /nfs/dbraw/zinc/16/08/17/289160817.db2.gz AKSKPQXXHNAXNZ-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526773 289399832 /nfs/dbraw/zinc/39/98/32/289399832.db2.gz WMTBGPJENBCYGL-IRXDYDNUSA-N 1 3 340.537 1.551 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CCSC1 ZINC000458526773 289399835 /nfs/dbraw/zinc/39/98/35/289399835.db2.gz WMTBGPJENBCYGL-IRXDYDNUSA-N 1 3 340.537 1.551 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333945139 295632902 /nfs/dbraw/zinc/63/29/02/295632902.db2.gz SNLJUFOOOYRTGV-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418635489 304522483 /nfs/dbraw/zinc/52/24/83/304522483.db2.gz KTEFPUNIJNUKAU-FUHWJXTLSA-N 1 3 334.464 1.317 20 0 EDADHO CC(C)N(C(=O)CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393379 304755083 /nfs/dbraw/zinc/75/50/83/304755083.db2.gz QJMKMHSLRZRENQ-IAGOWNOFSA-N 1 3 325.497 1.850 20 0 EDADHO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414755002 447322949 /nfs/dbraw/zinc/32/29/49/447322949.db2.gz GYJHXEAVGPXJMH-QAPCUYQASA-N 1 3 339.480 1.095 20 0 EDADHO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414755002 447322950 /nfs/dbraw/zinc/32/29/50/447322950.db2.gz GYJHXEAVGPXJMH-QAPCUYQASA-N 1 3 339.480 1.095 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293492266 302974130 /nfs/dbraw/zinc/97/41/30/302974130.db2.gz RZDKZSQTSGZRNZ-HKUYNNGSSA-N 1 3 342.487 1.409 20 0 EDADHO Cn1nccc1[C@H]1OCC[C@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000343513974 303090941 /nfs/dbraw/zinc/09/09/41/303090941.db2.gz IIUYHPFMKUAHLF-RDJZCZTQSA-N 1 3 335.496 1.113 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419667533 447333214 /nfs/dbraw/zinc/33/32/14/447333214.db2.gz BVIFRUJWEWYSTC-HZPDHXFCSA-N 1 3 340.512 1.055 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000414888378 447345062 /nfs/dbraw/zinc/34/50/62/447345062.db2.gz RILUPFKZIGZALQ-MRXNPFEDSA-N 1 3 332.448 1.985 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C)C(C)C ZINC000422098306 447346321 /nfs/dbraw/zinc/34/63/21/447346321.db2.gz BUENOYPDVWLYLF-INIZCTEOSA-N 1 3 340.512 1.116 20 0 EDADHO CN(c1ccccc1)c1ccc(CNCCN2CC[NH2+]CC2)cn1 ZINC000414892772 447346792 /nfs/dbraw/zinc/34/67/92/447346792.db2.gz YJYPPYKOMUXIMU-UHFFFAOYSA-N 1 3 325.460 1.844 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000423705986 304904758 /nfs/dbraw/zinc/90/47/58/304904758.db2.gz AOLXSLIXDURXCM-UHFFFAOYSA-N 1 3 336.524 1.667 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000424453644 304929978 /nfs/dbraw/zinc/92/99/78/304929978.db2.gz KOSBPLLZALUIMC-OAHLLOKOSA-N 1 3 344.459 1.337 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC1 ZINC000430950006 305070128 /nfs/dbraw/zinc/07/01/28/305070128.db2.gz PFZRYTLGGMKBRP-KRWDZBQOSA-N 1 3 332.492 1.308 20 0 EDADHO O=C(CN1CC[NH2+]CC12CCCCC2)NC1CCN(C2CC2)CC1 ZINC000431093366 305074864 /nfs/dbraw/zinc/07/48/64/305074864.db2.gz JXVAVVLBMREGIK-UHFFFAOYSA-N 1 3 334.508 1.338 20 0 EDADHO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000433395210 305107742 /nfs/dbraw/zinc/10/77/42/305107742.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 1 3 338.496 1.437 20 0 EDADHO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000433395210 305107743 /nfs/dbraw/zinc/10/77/43/305107743.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 1 3 338.496 1.437 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000434684561 305127568 /nfs/dbraw/zinc/12/75/68/305127568.db2.gz LQYZBBFECCXFSI-HIFRSBDPSA-N 1 3 332.448 1.450 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000438203378 305182983 /nfs/dbraw/zinc/18/29/83/305182983.db2.gz VHVWOFNYGCNXHK-UHFFFAOYSA-N 1 3 343.874 1.959 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854427 305190132 /nfs/dbraw/zinc/19/01/32/305190132.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854427 305190133 /nfs/dbraw/zinc/19/01/33/305190133.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000441388168 305221891 /nfs/dbraw/zinc/22/18/91/305221891.db2.gz RPQIGGIFSWOHEP-UHFFFAOYSA-N 1 3 327.476 1.988 20 0 EDADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cccc21 ZINC000447723990 305284539 /nfs/dbraw/zinc/28/45/39/305284539.db2.gz SMVOHRPLABVWEN-SJORKVTESA-N 1 3 344.459 1.400 20 0 EDADHO CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cccc21 ZINC000447723990 305284540 /nfs/dbraw/zinc/28/45/40/305284540.db2.gz SMVOHRPLABVWEN-SJORKVTESA-N 1 3 344.459 1.400 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000449120028 305307213 /nfs/dbraw/zinc/30/72/13/305307213.db2.gz BTEACHWPYFVXFQ-HNNXBMFYSA-N 1 3 341.496 1.402 20 0 EDADHO CCN(CCO)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449246576 305309460 /nfs/dbraw/zinc/30/94/60/305309460.db2.gz CGAICSBSHBMJOI-SFHVURJKSA-N 1 3 333.520 1.986 20 0 EDADHO CCN(CCO)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449246576 305309461 /nfs/dbraw/zinc/30/94/61/305309461.db2.gz CGAICSBSHBMJOI-SFHVURJKSA-N 1 3 333.520 1.986 20 0 EDADHO C[NH+]1CCC(Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1 ZINC000545899472 306087296 /nfs/dbraw/zinc/08/72/96/306087296.db2.gz OKLRFDMJTHDMJY-UHFFFAOYSA-N 1 3 343.475 1.944 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000548102186 306119885 /nfs/dbraw/zinc/11/98/85/306119885.db2.gz YBEXBGDBCMHWBP-DLBZAZTESA-N 1 3 338.496 1.100 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000551916918 306168242 /nfs/dbraw/zinc/16/82/42/306168242.db2.gz UDGGZOVVHYSAJY-KRWDZBQOSA-N 1 3 336.480 1.963 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659447 306187242 /nfs/dbraw/zinc/18/72/42/306187242.db2.gz YQRWSTDGYARVHT-VBCSKYIJSA-N 1 3 336.480 1.465 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000557133924 306224704 /nfs/dbraw/zinc/22/47/04/306224704.db2.gz GWGJEBKWPIAMQV-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cn3cccn3)CC2)CC1 ZINC000557515280 306228871 /nfs/dbraw/zinc/22/88/71/306228871.db2.gz UBUFXZAUFAMYGK-INIZCTEOSA-N 1 3 347.507 1.584 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000449708929 447388840 /nfs/dbraw/zinc/38/88/40/447388840.db2.gz HSHGUNBMOAGZBG-SFHVURJKSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)C1CCN(Cc2ccccc2)CC1 ZINC000449708927 447389106 /nfs/dbraw/zinc/38/91/06/447389106.db2.gz HSHGUNBMOAGZBG-GOSISDBHSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000426210180 447399523 /nfs/dbraw/zinc/39/95/23/447399523.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000426210180 447399531 /nfs/dbraw/zinc/39/95/31/447399531.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 1 3 338.496 1.364 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](CN)CC(C)C)cc1 ZINC000415426441 447427540 /nfs/dbraw/zinc/42/75/40/447427540.db2.gz LTOAUUJRMQXKMT-QGZVFWFLSA-N 1 3 348.491 1.957 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)c(Cl)c1 ZINC000103212103 441177025 /nfs/dbraw/zinc/17/70/25/441177025.db2.gz HWBNWXJBYKDVCA-UHFFFAOYSA-N 1 3 345.846 1.810 20 0 EDADHO COc1ccc2c(c1)OC[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000103212696 441178060 /nfs/dbraw/zinc/17/80/60/441178060.db2.gz OZQSUSLWIRFTIW-INIZCTEOSA-N 1 3 349.475 1.198 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105169860 441239307 /nfs/dbraw/zinc/23/93/07/441239307.db2.gz CTECREHHKZTVAT-ROUUACIJSA-N 1 3 332.492 1.895 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@H+](C)C1CC1 ZINC000105169894 441239637 /nfs/dbraw/zinc/23/96/37/441239637.db2.gz LWGXNGSPEKDBNA-WBVHZDCISA-N 1 3 332.492 1.941 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[N@@H+](C)C1CC1 ZINC000105169894 441239644 /nfs/dbraw/zinc/23/96/44/441239644.db2.gz LWGXNGSPEKDBNA-WBVHZDCISA-N 1 3 332.492 1.941 20 0 EDADHO COc1ccc2c(c1)C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000104533281 441197531 /nfs/dbraw/zinc/19/75/31/441197531.db2.gz LMYHNOZGEHKZBI-INIZCTEOSA-N 1 3 349.475 1.198 20 0 EDADHO CN(CCCN1C(=O)CNC1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110206 441599774 /nfs/dbraw/zinc/59/97/74/441599774.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 1 3 344.459 1.382 20 0 EDADHO CN(CCCN1C(=O)CNC1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110206 441599775 /nfs/dbraw/zinc/59/97/75/441599775.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 1 3 344.459 1.382 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)NCCCN1CCc2ccccc2C1 ZINC000121737021 441769227 /nfs/dbraw/zinc/76/92/27/441769227.db2.gz VZEBSUMZZDRCEF-LJQANCHMSA-N 1 3 348.491 1.047 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000158328809 441725849 /nfs/dbraw/zinc/72/58/49/441725849.db2.gz CMMFURKDVZJFNB-KRWDZBQOSA-N 1 3 330.476 1.457 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)NCC2(O)CCN(C)CC2)([NH+](C)C)C1 ZINC000077785668 441861258 /nfs/dbraw/zinc/86/12/58/441861258.db2.gz NFZKHHFYXCRCKV-RDJZCZTQSA-N 1 3 340.512 1.253 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cscn1 ZINC000174463545 441926711 /nfs/dbraw/zinc/92/67/11/441926711.db2.gz XFBSXDHTQSILMM-OAHLLOKOSA-N 1 3 339.509 1.701 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cscn1 ZINC000174463545 441926715 /nfs/dbraw/zinc/92/67/15/441926715.db2.gz XFBSXDHTQSILMM-OAHLLOKOSA-N 1 3 339.509 1.701 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000174360136 441916181 /nfs/dbraw/zinc/91/61/81/441916181.db2.gz YZXQKVIOWNKRIS-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000174360136 441916184 /nfs/dbraw/zinc/91/61/84/441916184.db2.gz YZXQKVIOWNKRIS-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+](C)C ZINC000119891951 441971597 /nfs/dbraw/zinc/97/15/97/441971597.db2.gz FZSXCBQKBXYSBQ-MSOLQXFVSA-N 1 3 333.476 1.108 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000119867518 441967582 /nfs/dbraw/zinc/96/75/82/441967582.db2.gz ZIQJDTRXALQSDB-MJGOQNOKSA-N 1 3 348.491 1.435 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CCC2CCOCC2)CC1 ZINC000120498226 442083671 /nfs/dbraw/zinc/08/36/71/442083671.db2.gz TZHYKZPWSBYREW-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ccccc1OC[C@@H](O)CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427642 442110743 /nfs/dbraw/zinc/11/07/43/442110743.db2.gz RGAMODZAVMMCHV-IBGZPJMESA-N 1 3 349.519 1.693 20 0 EDADHO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000121082600 442175637 /nfs/dbraw/zinc/17/56/37/442175637.db2.gz WSBBGHYBOIOUNX-GOSISDBHSA-N 1 3 338.540 1.591 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000458672509 447447026 /nfs/dbraw/zinc/44/70/26/447447026.db2.gz YOUADRXUWLQYDT-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000152439806 442213247 /nfs/dbraw/zinc/21/32/47/442213247.db2.gz QNNRQTDYIDZDRY-UONOGXRCSA-N 1 3 337.489 1.730 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000166617439 442217669 /nfs/dbraw/zinc/21/76/69/442217669.db2.gz RRQWAUBGMODSBB-UHFFFAOYSA-N 1 3 334.420 1.483 20 0 EDADHO CN1CCN(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000154352602 442334567 /nfs/dbraw/zinc/33/45/67/442334567.db2.gz ZUSWZEKWSAJXTK-UHFFFAOYSA-N 1 3 336.446 1.630 20 0 EDADHO COCc1nc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000130279669 442342427 /nfs/dbraw/zinc/34/24/27/442342427.db2.gz JOJTXINLLPOIBA-UHFFFAOYSA-N 1 3 328.482 1.163 20 0 EDADHO CS[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000155435720 442398202 /nfs/dbraw/zinc/39/82/02/442398202.db2.gz BXFQFRZYQSFNRY-CYBMUJFWSA-N 1 3 328.526 1.596 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000178879236 442512357 /nfs/dbraw/zinc/51/23/57/442512357.db2.gz GJBCLSUXJUIVNP-LJQANCHMSA-N 1 3 346.450 1.859 20 0 EDADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231287 442618994 /nfs/dbraw/zinc/61/89/94/442618994.db2.gz BRJSNWLSTKNBLC-ROUUACIJSA-N 1 3 333.476 1.734 20 0 EDADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231287 442618997 /nfs/dbraw/zinc/61/89/97/442618997.db2.gz BRJSNWLSTKNBLC-ROUUACIJSA-N 1 3 333.476 1.734 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000187933477 442698729 /nfs/dbraw/zinc/69/87/29/442698729.db2.gz KFKIMJWKSQGNRF-OFQRWUPVSA-N 1 3 337.489 1.453 20 0 EDADHO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(CN2CCCC2)c1 ZINC000265517909 442805908 /nfs/dbraw/zinc/80/59/08/442805908.db2.gz SZBBWRZUIRZBKN-UHFFFAOYSA-N 1 3 345.487 1.859 20 0 EDADHO C[C@H](C(=O)N(C)C)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246723595 442806862 /nfs/dbraw/zinc/80/68/62/442806862.db2.gz UWKCZSHDBTZWQD-BZUAXINKSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000268104132 442849431 /nfs/dbraw/zinc/84/94/31/442849431.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000268104132 442849435 /nfs/dbraw/zinc/84/94/35/442849435.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@@H]1N(C)C ZINC000268255864 442920786 /nfs/dbraw/zinc/92/07/86/442920786.db2.gz HUFUXCVNDMPRSD-YOEHRIQHSA-N 1 3 346.475 1.138 20 0 EDADHO C[C@@H]1CC(O)C[C@@H](C)N1CCOCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748977 442923667 /nfs/dbraw/zinc/92/36/67/442923667.db2.gz GBDOCMFXDRYICI-MAPUTHEBSA-N 1 3 328.497 1.470 20 0 EDADHO C[C@@H]1CC(O)C[C@@H](C)N1CCOCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748977 442923671 /nfs/dbraw/zinc/92/36/71/442923671.db2.gz GBDOCMFXDRYICI-MAPUTHEBSA-N 1 3 328.497 1.470 20 0 EDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CCOCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248748977 442923673 /nfs/dbraw/zinc/92/36/73/442923673.db2.gz GBDOCMFXDRYICI-MAPUTHEBSA-N 1 3 328.497 1.470 20 0 EDADHO COC[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000265796445 442924105 /nfs/dbraw/zinc/92/41/05/442924105.db2.gz NHZOOWQAFOYKEG-LJQANCHMSA-N 1 3 345.487 1.867 20 0 EDADHO CN(c1ccccc1C[NH2+]CCCn1ccnn1)C1CCN(C)CC1 ZINC000184245636 318533485 /nfs/dbraw/zinc/53/34/85/318533485.db2.gz PQQFRFOVQINCTF-UHFFFAOYSA-N 1 3 342.491 1.988 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)N(C)C)cc1 ZINC000265932205 442973835 /nfs/dbraw/zinc/97/38/35/442973835.db2.gz JEVXWGQPVFZUIH-KRWDZBQOSA-N 1 3 348.491 1.354 20 0 EDADHO CN1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266792210 443242881 /nfs/dbraw/zinc/24/28/81/443242881.db2.gz PLRDYCJIOGGFOJ-UHFFFAOYSA-N 1 3 330.476 1.363 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383719861 319126039 /nfs/dbraw/zinc/12/60/39/319126039.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 1 3 331.504 1.753 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000383719861 319126041 /nfs/dbraw/zinc/12/60/41/319126041.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 1 3 331.504 1.753 20 0 EDADHO [NH3+]CC1(O)CCN(CCOc2ccc(Br)cc2)CC1 ZINC000397076185 319133662 /nfs/dbraw/zinc/13/36/62/319133662.db2.gz OKPSUGKHESGSHY-UHFFFAOYSA-N 1 3 329.238 1.614 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343533 319134130 /nfs/dbraw/zinc/13/41/30/319134130.db2.gz WWVHTROXBLLFPI-MGPQQGTHSA-N 1 3 341.477 1.018 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522679 319135281 /nfs/dbraw/zinc/13/52/81/319135281.db2.gz VKJSFDFFMXROHG-CABCVRRESA-N 1 3 341.496 1.869 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397609417 319135787 /nfs/dbraw/zinc/13/57/87/319135787.db2.gz YNYDVUFHIYIONE-MJGOQNOKSA-N 1 3 331.504 1.943 20 0 EDADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)C(C)C ZINC000412680647 319239366 /nfs/dbraw/zinc/23/93/66/319239366.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 1 3 347.503 1.980 20 0 EDADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)C(C)C ZINC000412680647 319239367 /nfs/dbraw/zinc/23/93/67/319239367.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 1 3 347.503 1.980 20 0 EDADHO Cc1ccncc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414203913 319319613 /nfs/dbraw/zinc/31/96/13/319319613.db2.gz VRYXFWFXILLYDL-KRWDZBQOSA-N 1 3 332.492 1.837 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000269267147 443258506 /nfs/dbraw/zinc/25/85/06/443258506.db2.gz PQGJONJBNZERRV-QGZVFWFLSA-N 1 3 326.444 1.910 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000414692322 319343272 /nfs/dbraw/zinc/34/32/72/319343272.db2.gz AUYFLPQIYUQGHL-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000415084115 319346340 /nfs/dbraw/zinc/34/63/40/319346340.db2.gz OBNJQAHYWQDRNB-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO C[N@H+](CCO)C1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416174605 319398643 /nfs/dbraw/zinc/39/86/43/319398643.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 1 3 345.487 1.350 20 0 EDADHO C[N@@H+](CCO)C1CCN(C(=O)CCN2CCc3ccccc3C2)CC1 ZINC000416174605 319398645 /nfs/dbraw/zinc/39/86/45/319398645.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 1 3 345.487 1.350 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416813444 319462628 /nfs/dbraw/zinc/46/26/28/319462628.db2.gz UMNQUBGSLOKMGK-KSZLIROESA-N 1 3 330.476 1.930 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418588254 319507093 /nfs/dbraw/zinc/50/70/93/319507093.db2.gz HPSNZGWDTALOMI-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO CN(C)CCN(C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000267089014 443338150 /nfs/dbraw/zinc/33/81/50/443338150.db2.gz UHXWRWBBOQRKPG-SFHVURJKSA-N 1 3 332.492 1.754 20 0 EDADHO CN(C)CCN(C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000267089014 443338153 /nfs/dbraw/zinc/33/81/53/443338153.db2.gz UHXWRWBBOQRKPG-SFHVURJKSA-N 1 3 332.492 1.754 20 0 EDADHO COC[C@H](CCC[NH3+])NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932372 319738886 /nfs/dbraw/zinc/73/88/86/319738886.db2.gz FPWBUSNTSSZQDZ-ZDUSSCGKSA-N 1 3 334.869 1.457 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1C)N(C)C ZINC000441425033 320094842 /nfs/dbraw/zinc/09/48/42/320094842.db2.gz JTUNOBUDZBLIFU-QKPAOTATSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C)N(C)C ZINC000441425033 320094844 /nfs/dbraw/zinc/09/48/44/320094844.db2.gz JTUNOBUDZBLIFU-QKPAOTATSA-N 1 3 340.512 1.115 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444271948 320124139 /nfs/dbraw/zinc/12/41/39/320124139.db2.gz UWCAZJZDKFYBMY-AZUAARDMSA-N 1 3 342.487 1.762 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000447442907 320142011 /nfs/dbraw/zinc/14/20/11/320142011.db2.gz SUHSFLPLCBFQHX-ROUUACIJSA-N 1 3 347.503 1.939 20 0 EDADHO OC1CCN(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196680 /nfs/dbraw/zinc/19/66/80/320196680.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196682 /nfs/dbraw/zinc/19/66/82/320196682.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 1 3 343.515 1.943 20 0 EDADHO OC1CCN(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196684 /nfs/dbraw/zinc/19/66/84/320196684.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 1 3 343.515 1.943 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449727269 320202604 /nfs/dbraw/zinc/20/26/04/320202604.db2.gz PCQZSQXIWNFKSN-DOTOQJQBSA-N 1 3 330.476 1.686 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)CN1Cc1ccccc1 ZINC000471647398 320352926 /nfs/dbraw/zinc/35/29/26/320352926.db2.gz GVUFNHKQCSCHTM-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557241797 321001235 /nfs/dbraw/zinc/00/12/35/321001235.db2.gz HMMLYVMKSXGFCQ-VQHPVUNQSA-N 1 3 338.496 1.127 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000558363652 321011923 /nfs/dbraw/zinc/01/19/23/321011923.db2.gz RJZRBURRSGJKOE-QGZVFWFLSA-N 1 3 328.460 1.751 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000561428181 321040987 /nfs/dbraw/zinc/04/09/87/321040987.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000561428181 321040989 /nfs/dbraw/zinc/04/09/89/321040989.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO CCCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CC[NH2+]C1 ZINC000563099955 321095303 /nfs/dbraw/zinc/09/53/03/321095303.db2.gz ILJAGAYUJHVMMU-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@](C)(CC)CO)CC2)CC1 ZINC000563972059 321118437 /nfs/dbraw/zinc/11/84/37/321118437.db2.gz JWSYEJBVQNFSTA-SFHVURJKSA-N 1 3 325.497 1.460 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000564695884 321142297 /nfs/dbraw/zinc/14/22/97/321142297.db2.gz GKNVWVSAOWDKPS-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000564733153 321144140 /nfs/dbraw/zinc/14/41/40/321144140.db2.gz UVYLTXFVEJMTTD-WMZOPIPTSA-N 1 3 346.519 1.855 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000565411344 321185439 /nfs/dbraw/zinc/18/54/39/321185439.db2.gz QDDHQBSINTUTEC-WOCWXWTJSA-N 1 3 345.487 1.898 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCSC1 ZINC000566795339 321233899 /nfs/dbraw/zinc/23/38/99/321233899.db2.gz LKBDVFGHJPZTKA-SJLPKXTDSA-N 1 3 348.516 1.691 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567478678 321243581 /nfs/dbraw/zinc/24/35/81/321243581.db2.gz MYSCIONMTMTNEM-MJGOQNOKSA-N 1 3 342.487 1.905 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000567896491 321267248 /nfs/dbraw/zinc/26/72/48/321267248.db2.gz TZKLWKOKCRHRLU-OALUTQOASA-N 1 3 345.487 1.252 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)CCCO)CC2)CC1 ZINC000568229278 321283221 /nfs/dbraw/zinc/28/32/21/321283221.db2.gz VEJCMSADDVGITK-MRXNPFEDSA-N 1 3 339.524 1.708 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000568739804 321303854 /nfs/dbraw/zinc/30/38/54/321303854.db2.gz SBVPJIRZMKDNOZ-RCCFBDPRSA-N 1 3 349.500 1.689 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCN(C)CC1 ZINC000569048052 321315757 /nfs/dbraw/zinc/31/57/57/321315757.db2.gz KRVFDHGLGTVGKN-AWEZNQCLSA-N 1 3 328.526 1.455 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCN(C)CC1 ZINC000569048052 321315759 /nfs/dbraw/zinc/31/57/59/321315759.db2.gz KRVFDHGLGTVGKN-AWEZNQCLSA-N 1 3 328.526 1.455 20 0 EDADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285771115 444102147 /nfs/dbraw/zinc/10/21/47/444102147.db2.gz SVAARZZTDNQVAP-OAHLLOKOSA-N 1 3 346.475 1.696 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000570030211 321334723 /nfs/dbraw/zinc/33/47/23/321334723.db2.gz YTEUQYFQZDQJNC-ZWKOTPCHSA-N 1 3 345.491 1.830 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000570029693 321334726 /nfs/dbraw/zinc/33/47/26/321334726.db2.gz KWOPQNWZJLPTHQ-SJLPKXTDSA-N 1 3 339.443 1.424 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000575779118 321527015 /nfs/dbraw/zinc/52/70/15/321527015.db2.gz KMAGJZICQFHKAV-SJORKVTESA-N 1 3 346.475 1.378 20 0 EDADHO CC[NH+]1CCC(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000314791400 444302699 /nfs/dbraw/zinc/30/26/99/444302699.db2.gz KCNHWDAYTGQBQV-CYBMUJFWSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+]1C ZINC000340255527 444374515 /nfs/dbraw/zinc/37/45/15/444374515.db2.gz HCPNCSDACMERSX-MRRJBJDNSA-N 1 3 337.489 1.784 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[N@H+]1C ZINC000340255527 444374517 /nfs/dbraw/zinc/37/45/17/444374517.db2.gz HCPNCSDACMERSX-MRRJBJDNSA-N 1 3 337.489 1.784 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000580071929 322005800 /nfs/dbraw/zinc/00/58/00/322005800.db2.gz FYMYLBMQDOBHNP-FUHWJXTLSA-N 1 3 330.476 1.752 20 0 EDADHO [NH3+][C@@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000581188063 322146961 /nfs/dbraw/zinc/14/69/61/322146961.db2.gz NLTDRVWNQZBYIF-LJQANCHMSA-N 1 3 344.503 1.438 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247060 322153909 /nfs/dbraw/zinc/15/39/09/322153909.db2.gz OFAVPPFDLZBGBH-CVEARBPZSA-N 1 3 340.439 1.656 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247060 322153913 /nfs/dbraw/zinc/15/39/13/322153913.db2.gz OFAVPPFDLZBGBH-CVEARBPZSA-N 1 3 340.439 1.656 20 0 EDADHO CCN1CCC(n2nccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000581372756 322170530 /nfs/dbraw/zinc/17/05/30/322170530.db2.gz WNNLDOWQMDSVIQ-UHFFFAOYSA-N 1 3 335.452 1.247 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000581940855 322235752 /nfs/dbraw/zinc/23/57/52/322235752.db2.gz DEZIDQOVOVKSBE-SUMWQHHRSA-N 1 3 344.459 1.320 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)CC(C)C ZINC000343765172 444574502 /nfs/dbraw/zinc/57/45/02/444574502.db2.gz BINGJSLHHYNDEV-NPYXIHBLSA-N 1 3 337.508 1.674 20 0 EDADHO COc1ccc(CN(C)C(=O)[C@H](C)[NH2+]CC2(N)CCC2)cc1OC ZINC000342151334 444537178 /nfs/dbraw/zinc/53/71/78/444537178.db2.gz XRPWZDVFDXMTGP-ZDUSSCGKSA-N 1 3 335.448 1.522 20 0 EDADHO N[C@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000333288710 444653888 /nfs/dbraw/zinc/65/38/88/444653888.db2.gz OAVJZSXMOCVJDI-JKSUJKDBSA-N 1 3 325.416 1.338 20 0 EDADHO CC1CCN(CCNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000333945760 444725596 /nfs/dbraw/zinc/72/55/96/444725596.db2.gz TZIMPYRUJYUPHA-SJORKVTESA-N 1 3 338.496 1.256 20 0 EDADHO O=C(NC[C@H]1CNCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000333600761 444684298 /nfs/dbraw/zinc/68/42/98/444684298.db2.gz WKGJMZJUAWKYQN-QGZVFWFLSA-N 1 3 338.496 1.272 20 0 EDADHO O=C(NC[C@H]1CNCCO1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000333600761 444684303 /nfs/dbraw/zinc/68/43/03/444684303.db2.gz WKGJMZJUAWKYQN-QGZVFWFLSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344045022 444747391 /nfs/dbraw/zinc/74/73/91/444747391.db2.gz XZDDRONUELVXAK-MSOLQXFVSA-N 1 3 340.556 1.839 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000334081001 444773895 /nfs/dbraw/zinc/77/38/95/444773895.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000334081001 444773898 /nfs/dbraw/zinc/77/38/98/444773898.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 1 3 340.512 1.205 20 0 EDADHO c1ccc(C[N@H+]2CC[C@H]3CN(CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794599 /nfs/dbraw/zinc/79/45/99/444794599.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 1 3 329.488 1.773 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@H]3CN(CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794603 /nfs/dbraw/zinc/79/46/03/444794603.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 1 3 329.488 1.773 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccncc1OCCN(C)C ZINC000341365069 444797345 /nfs/dbraw/zinc/79/73/45/444797345.db2.gz DQILLGNOKGBWLS-AWEZNQCLSA-N 1 3 337.468 1.161 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000341449626 444838649 /nfs/dbraw/zinc/83/86/49/444838649.db2.gz IBESTWYJZILDQS-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341561405 444895850 /nfs/dbraw/zinc/89/58/50/444895850.db2.gz SLBRTEIUMZMBPK-IYBDPMFKSA-N 1 3 328.501 1.469 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000341561405 444895853 /nfs/dbraw/zinc/89/58/53/444895853.db2.gz SLBRTEIUMZMBPK-IYBDPMFKSA-N 1 3 328.501 1.469 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992831 /nfs/dbraw/zinc/99/28/31/444992831.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 1 3 344.503 1.960 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992834 /nfs/dbraw/zinc/99/28/34/444992834.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 1 3 344.503 1.960 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)C1 ZINC000344530151 445037809 /nfs/dbraw/zinc/03/78/09/445037809.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 1 3 326.485 1.079 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)CN2C)C1 ZINC000344530151 445037814 /nfs/dbraw/zinc/03/78/14/445037814.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 1 3 326.485 1.079 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000337340268 445039383 /nfs/dbraw/zinc/03/93/83/445039383.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000337340268 445039388 /nfs/dbraw/zinc/03/93/88/445039388.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 1 3 336.524 1.489 20 0 EDADHO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000343163369 445107816 /nfs/dbraw/zinc/10/78/16/445107816.db2.gz LFEWFKQDHQBQCD-SFHVURJKSA-N 1 3 334.508 1.101 20 0 EDADHO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCN(CC2CCCCC2)CC1 ZINC000343163369 445107819 /nfs/dbraw/zinc/10/78/19/445107819.db2.gz LFEWFKQDHQBQCD-SFHVURJKSA-N 1 3 334.508 1.101 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)NC(=O)Nc3ccccc3)C[C@H]21 ZINC000342111835 445177264 /nfs/dbraw/zinc/17/72/64/445177264.db2.gz UOFDXDNBPNVEFY-FVQBIDKESA-N 1 3 330.432 1.784 20 0 EDADHO C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCCCC1 ZINC000345644032 445194179 /nfs/dbraw/zinc/19/41/79/445194179.db2.gz SJGILTBALTVDSZ-INIZCTEOSA-N 1 3 325.497 1.820 20 0 EDADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000343439711 445222982 /nfs/dbraw/zinc/22/29/82/445222982.db2.gz FUOFNZCEBUVMQR-WMLDXEAASA-N 1 3 349.450 1.999 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193152 445233832 /nfs/dbraw/zinc/23/38/32/445233832.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 1 3 337.508 1.556 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193152 445233835 /nfs/dbraw/zinc/23/38/35/445233835.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 1 3 337.508 1.556 20 0 EDADHO C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348516168 445310813 /nfs/dbraw/zinc/31/08/13/445310813.db2.gz QANHKAZBLZYSDO-JCHJZTRSSA-N 1 3 341.459 1.718 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000351916252 445373806 /nfs/dbraw/zinc/37/38/06/445373806.db2.gz ARLWRGMWUFINMT-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(CCOC)CC1 ZINC000351916252 445373808 /nfs/dbraw/zinc/37/38/08/445373808.db2.gz ARLWRGMWUFINMT-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000348991408 445468082 /nfs/dbraw/zinc/46/80/82/445468082.db2.gz GSFWJMGGZRYZFL-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000348991408 445468086 /nfs/dbraw/zinc/46/80/86/445468086.db2.gz GSFWJMGGZRYZFL-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362665072 445486054 /nfs/dbraw/zinc/48/60/54/445486054.db2.gz COXYYTYRYAAAPA-GOEBONIOSA-N 1 3 340.512 1.467 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000362771527 445542231 /nfs/dbraw/zinc/54/22/31/445542231.db2.gz YSDIRPKHCJGGOU-WBVHZDCISA-N 1 3 333.480 1.004 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000362771527 445542235 /nfs/dbraw/zinc/54/22/35/445542235.db2.gz YSDIRPKHCJGGOU-WBVHZDCISA-N 1 3 333.480 1.004 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN(C)CC1 ZINC000358297533 445616368 /nfs/dbraw/zinc/61/63/68/445616368.db2.gz KXSWIFORQWRKOW-CABCVRRESA-N 1 3 340.537 1.740 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN(C)CC1 ZINC000358297533 445616370 /nfs/dbraw/zinc/61/63/70/445616370.db2.gz KXSWIFORQWRKOW-CABCVRRESA-N 1 3 340.537 1.740 20 0 EDADHO COC[C@H](C)[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360152690 445597213 /nfs/dbraw/zinc/59/72/13/445597213.db2.gz WQKPCVSBLSRWKK-LSDHHAIUSA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)OCC[C@@H](O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349851566 445698871 /nfs/dbraw/zinc/69/88/71/445698871.db2.gz HPLUNODISZZKKD-SJLPKXTDSA-N 1 3 327.513 1.263 20 0 EDADHO CSC1(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695739 445722850 /nfs/dbraw/zinc/72/28/50/445722850.db2.gz PUDLKYHZDABBHS-HUUCEWRRSA-N 1 3 342.553 1.795 20 0 EDADHO CN(C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000356354226 445749212 /nfs/dbraw/zinc/74/92/12/445749212.db2.gz KLVBQAZCAMIPIW-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCCN(C)CC3)cc2)CC1 ZINC000363296596 445755873 /nfs/dbraw/zinc/75/58/73/445755873.db2.gz BIMPHQRHZQWVBC-UHFFFAOYSA-N 1 3 330.476 1.606 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000356378200 445759883 /nfs/dbraw/zinc/75/98/83/445759883.db2.gz YUSAOPUORGAOPH-ZWKOTPCHSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1CCCCCC1 ZINC000356483655 445815956 /nfs/dbraw/zinc/81/59/56/445815956.db2.gz UOXBKCDVIOBKOU-MRXNPFEDSA-N 1 3 348.491 1.903 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356521439 445838635 /nfs/dbraw/zinc/83/86/35/445838635.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000356521439 445838637 /nfs/dbraw/zinc/83/86/37/445838637.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000350749795 445896583 /nfs/dbraw/zinc/89/65/83/445896583.db2.gz VZWPZFIFVNTVCL-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365921983 445908181 /nfs/dbraw/zinc/90/81/81/445908181.db2.gz CUZGYARCSDGNTB-YYIAUSFCSA-N 1 3 336.480 1.118 20 0 EDADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365921983 445908189 /nfs/dbraw/zinc/90/81/89/445908189.db2.gz CUZGYARCSDGNTB-YYIAUSFCSA-N 1 3 336.480 1.118 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1(C)C ZINC000582359613 325829357 /nfs/dbraw/zinc/82/93/57/325829357.db2.gz XCVJIIXNJSYSER-CLCXKQKWSA-N 1 3 337.508 1.756 20 0 EDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000583206717 326026645 /nfs/dbraw/zinc/02/66/45/326026645.db2.gz HYPVUTMUZSOXOS-AWEZNQCLSA-N 1 3 333.480 1.796 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)C(C)(C)O)CC2)CC1 ZINC000583272393 326040364 /nfs/dbraw/zinc/04/03/64/326040364.db2.gz INRLBYAQYXIPII-UHFFFAOYSA-N 1 3 339.524 1.848 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CNCc2ccccc21 ZINC000583750896 326132871 /nfs/dbraw/zinc/13/28/71/326132871.db2.gz RZWHNMUJLBGYDO-DNVCBOLYSA-N 1 3 343.471 1.491 20 0 EDADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000361990616 446133269 /nfs/dbraw/zinc/13/32/69/446133269.db2.gz PRFUUKSVYZXONF-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO COCCN[C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000359381902 446186703 /nfs/dbraw/zinc/18/67/03/446186703.db2.gz SPIXDJOLZCGSHK-AWEZNQCLSA-N 1 3 343.493 1.214 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000365627047 446279133 /nfs/dbraw/zinc/27/91/33/446279133.db2.gz ZKZYYTUXKBZJGP-LAQRGFTBSA-N 1 3 330.476 1.921 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)CC[N@H+]1C ZINC000365627047 446279138 /nfs/dbraw/zinc/27/91/38/446279138.db2.gz ZKZYYTUXKBZJGP-LAQRGFTBSA-N 1 3 330.476 1.921 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514281 446359017 /nfs/dbraw/zinc/35/90/17/446359017.db2.gz IZYUZEISZPQQHL-WMZOPIPTSA-N 1 3 348.491 1.686 20 0 EDADHO C[C@@H]1CN(C(=O)NCCc2ccc(OCCN(C)C)cc2)C[C@@H]1[NH3+] ZINC000417527977 446361761 /nfs/dbraw/zinc/36/17/61/446361761.db2.gz OQEZBZKAOQBSLH-PBHICJAKSA-N 1 3 334.464 1.158 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420287525 446452650 /nfs/dbraw/zinc/45/26/50/446452650.db2.gz IAJDKFJJAIWHEF-RYQLBKOJSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(N2CCOCC2)CCOCC1 ZINC000423172617 446446788 /nfs/dbraw/zinc/44/67/88/446446788.db2.gz UJMRRYUGIYHARA-MSOLQXFVSA-N 1 3 339.524 1.768 20 0 EDADHO COCCN1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376254098 446401333 /nfs/dbraw/zinc/40/13/33/446401333.db2.gz JNSQGBTYDRTSFG-NVXWUHKLSA-N 1 3 338.496 1.365 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000376387274 446468919 /nfs/dbraw/zinc/46/89/19/446468919.db2.gz URRMVUVDMCPFSP-ZDUSSCGKSA-N 1 3 335.500 1.856 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000423313592 446485299 /nfs/dbraw/zinc/48/52/99/446485299.db2.gz WZIJFNQCERRXLE-WMLDXEAASA-N 1 3 337.489 1.627 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000418314494 446495362 /nfs/dbraw/zinc/49/53/62/446495362.db2.gz XIPMCSGMBAJBCU-UHFFFAOYSA-N 1 3 340.418 1.790 20 0 EDADHO CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H](C)[NH3+] ZINC000423364567 446501291 /nfs/dbraw/zinc/50/12/91/446501291.db2.gz AVXLZKWFOORKKQ-MLGOLLRUSA-N 1 3 348.447 1.714 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418332113 446502579 /nfs/dbraw/zinc/50/25/79/446502579.db2.gz YRZFHRWDXNELCR-UHFFFAOYSA-N 1 3 332.492 1.946 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)NCCC[NH2+]Cc3cccnc3)C2)C1 ZINC000418328446 446500329 /nfs/dbraw/zinc/50/03/29/446500329.db2.gz NXXASFRQADLRPD-LJQANCHMSA-N 1 3 345.491 1.689 20 0 EDADHO CC1(C)CCCN(CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418328459 446500568 /nfs/dbraw/zinc/50/05/68/446500568.db2.gz NYKPDNNGWPCASN-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453583679 446564294 /nfs/dbraw/zinc/56/42/94/446564294.db2.gz VUQLAEVMBIJJCF-MRXNPFEDSA-N 1 3 346.475 1.630 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370574 446518341 /nfs/dbraw/zinc/51/83/41/446518341.db2.gz ORTZEAGHYDPBRO-QZTJIDSGSA-N 1 3 345.491 1.830 20 0 EDADHO Cc1ccccc1CCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346201 446518792 /nfs/dbraw/zinc/51/87/92/446518792.db2.gz XPXHBKHFSKRFTJ-OALUTQOASA-N 1 3 329.488 1.975 20 0 EDADHO Cc1ccc(NC(=O)COC2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000423422805 446529862 /nfs/dbraw/zinc/52/98/62/446529862.db2.gz ZAHYHYSHDUBCMH-UHFFFAOYSA-N 1 3 335.448 1.643 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@@H](C)O1 ZINC000423427306 446532701 /nfs/dbraw/zinc/53/27/01/446532701.db2.gz IPFHBZMVASJTGK-HZPDHXFCSA-N 1 3 337.508 1.853 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)c3ccccc3OCC[NH+](C)C)C[C@@H]21 ZINC000375048959 446542036 /nfs/dbraw/zinc/54/20/36/446542036.db2.gz KVXCEASNQWDBMO-WBVHZDCISA-N 1 3 331.460 1.793 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418437656 446542655 /nfs/dbraw/zinc/54/26/55/446542655.db2.gz XJMQLLWWSJDHJL-JKSUJKDBSA-N 1 3 339.528 1.219 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363675 446543660 /nfs/dbraw/zinc/54/36/60/446543660.db2.gz BUZQXDVFOYVJPV-KRWDZBQOSA-N 1 3 334.460 1.867 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363675 446543671 /nfs/dbraw/zinc/54/36/71/446543671.db2.gz BUZQXDVFOYVJPV-KRWDZBQOSA-N 1 3 334.460 1.867 20 0 EDADHO C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C)CC1 ZINC000433391040 446567987 /nfs/dbraw/zinc/56/79/87/446567987.db2.gz UGBOCRDKUGWDRT-LSDHHAIUSA-N 1 3 334.468 1.053 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517632 446576970 /nfs/dbraw/zinc/57/69/70/446576970.db2.gz ZPIXALNKBJHRLM-SFHVURJKSA-N 1 3 334.464 1.004 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000418520861 446578242 /nfs/dbraw/zinc/57/82/42/446578242.db2.gz HYYVECXLCLNHFY-CEXWTWQISA-N 1 3 342.487 1.759 20 0 EDADHO CN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418535334 446583044 /nfs/dbraw/zinc/58/30/44/446583044.db2.gz DAAGUHVPFXQOJU-SFHVURJKSA-N 1 3 328.460 1.822 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536771 446585510 /nfs/dbraw/zinc/58/55/10/446585510.db2.gz CFXJXPOJBKQPHA-HRCADAONSA-N 1 3 340.512 1.645 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)NC3CCN(C4CC4)CC3)C2)CC1 ZINC000371055236 446601703 /nfs/dbraw/zinc/60/17/03/446601703.db2.gz OFKSDYIXOLBNLT-INIZCTEOSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601113 446609275 /nfs/dbraw/zinc/60/92/75/446609275.db2.gz LKOJVHXIMVLAIG-AYBZRNKSSA-N 1 3 346.475 1.063 20 0 EDADHO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000434467608 446647122 /nfs/dbraw/zinc/64/71/22/446647122.db2.gz OUYPHVQWGPWHPW-HUUCEWRRSA-N 1 3 336.505 1.826 20 0 EDADHO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000434467608 446647131 /nfs/dbraw/zinc/64/71/31/446647131.db2.gz OUYPHVQWGPWHPW-HUUCEWRRSA-N 1 3 336.505 1.826 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418737682 446660194 /nfs/dbraw/zinc/66/01/94/446660194.db2.gz YKZPPQVZEAUIGA-XHSDSOJGSA-N 1 3 326.485 1.256 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423763326 446692271 /nfs/dbraw/zinc/69/22/71/446692271.db2.gz VQUNORVZYFLAHM-HNNXBMFYSA-N 1 3 339.480 1.156 20 0 EDADHO O=C(N1CCCN(CCCc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423754972 446684271 /nfs/dbraw/zinc/68/42/71/446684271.db2.gz ZYODZIWUMLCAGI-QUCCMNQESA-N 1 3 327.472 1.906 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC000368267630 446748560 /nfs/dbraw/zinc/74/85/60/446748560.db2.gz ZYGVPDFFUFWHPG-MRXNPFEDSA-N 1 3 333.480 1.150 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)COC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000423902832 446754625 /nfs/dbraw/zinc/75/46/25/446754625.db2.gz MMGXVNBSINBXCK-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)COC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000423902832 446754633 /nfs/dbraw/zinc/75/46/33/446754633.db2.gz MMGXVNBSINBXCK-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(CCn2cccn2)CC1 ZINC000368285989 446760277 /nfs/dbraw/zinc/76/02/77/446760277.db2.gz BSPFRHNPTCFSJB-UHFFFAOYSA-N 1 3 347.507 1.538 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418867559 446762232 /nfs/dbraw/zinc/76/22/32/446762232.db2.gz MCBSKOJANRFJAI-KRWDZBQOSA-N 1 3 346.475 1.041 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452489 446872746 /nfs/dbraw/zinc/87/27/46/446872746.db2.gz HQCNGBKJSJXWIW-QZTJIDSGSA-N 1 3 348.491 1.739 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539996 446906258 /nfs/dbraw/zinc/90/62/58/446906258.db2.gz JKJXCMLRZYUUQW-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420977353 446949904 /nfs/dbraw/zinc/94/99/04/446949904.db2.gz HVBMZNLQLMEFHL-DLBZAZTESA-N 1 3 338.540 1.782 20 0 EDADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420977353 446949911 /nfs/dbraw/zinc/94/99/11/446949911.db2.gz HVBMZNLQLMEFHL-DLBZAZTESA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454795223 446972505 /nfs/dbraw/zinc/97/25/05/446972505.db2.gz HFWJJFDIYRMMAA-QXCFHYIPSA-N 1 3 342.487 1.852 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454795223 446972510 /nfs/dbraw/zinc/97/25/10/446972510.db2.gz HFWJJFDIYRMMAA-QXCFHYIPSA-N 1 3 342.487 1.852 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(N)=O ZINC000368615252 446982276 /nfs/dbraw/zinc/98/22/76/446982276.db2.gz POCQTFIFMLFDHG-BZUAXINKSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(N)=O ZINC000368615252 446982280 /nfs/dbraw/zinc/98/22/80/446982280.db2.gz POCQTFIFMLFDHG-BZUAXINKSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)ccc1OCC(N)=O ZINC000368615252 446982285 /nfs/dbraw/zinc/98/22/85/446982285.db2.gz POCQTFIFMLFDHG-BZUAXINKSA-N 1 3 347.459 1.522 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419172306 446987649 /nfs/dbraw/zinc/98/76/49/446987649.db2.gz QVUUYJQYDQPTBZ-ARFHVFGLSA-N 1 3 338.496 1.143 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000372095345 446998674 /nfs/dbraw/zinc/99/86/74/446998674.db2.gz MXNWMIQGXQWTIB-FXUDXRNXSA-N 1 3 341.521 1.087 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H]1CSCCN1 ZINC000372095345 446998677 /nfs/dbraw/zinc/99/86/77/446998677.db2.gz MXNWMIQGXQWTIB-FXUDXRNXSA-N 1 3 341.521 1.087 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)C1 ZINC000372098756 447000713 /nfs/dbraw/zinc/00/07/13/447000713.db2.gz NCOZNFWADOKHCY-OWSLCNJRSA-N 1 3 334.508 1.146 20 0 EDADHO CN(C[C@@](C)(O)c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829850 447084991 /nfs/dbraw/zinc/08/49/91/447084991.db2.gz HTOBPVZIYBVDOP-WOJBJXKFSA-N 1 3 331.504 1.994 20 0 EDADHO CN(C[C@@](C)(O)c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829850 447085000 /nfs/dbraw/zinc/08/50/00/447085000.db2.gz HTOBPVZIYBVDOP-WOJBJXKFSA-N 1 3 331.504 1.994 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[N@H+](C)C2CCCCC2)C1(C)C ZINC000444178866 447090525 /nfs/dbraw/zinc/09/05/25/447090525.db2.gz YLEWCYVVXWAGKT-MAUKXSAKSA-N 1 3 325.497 1.900 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCC[N@@H+](C)C2CCCCC2)C1(C)C ZINC000444178866 447090531 /nfs/dbraw/zinc/09/05/31/447090531.db2.gz YLEWCYVVXWAGKT-MAUKXSAKSA-N 1 3 325.497 1.900 20 0 EDADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374716 447097318 /nfs/dbraw/zinc/09/73/18/447097318.db2.gz ZBQXMEAUSJTLCP-RYQLBKOJSA-N 1 3 349.523 1.848 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458178 447173408 /nfs/dbraw/zinc/17/34/08/447173408.db2.gz MBHPSERCOQIKPI-QGZVFWFLSA-N 1 3 338.540 1.735 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458178 447173413 /nfs/dbraw/zinc/17/34/13/447173413.db2.gz MBHPSERCOQIKPI-QGZVFWFLSA-N 1 3 338.540 1.735 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H](C)N(C(=O)[C@H](CC)N(C)C)[C@@H](C)C1)[NH+](C)C ZINC000413721466 447228373 /nfs/dbraw/zinc/22/83/73/447228373.db2.gz JNGQFVVEHHPKDZ-QXSJWSMHSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)N(C)C ZINC000413721466 447228382 /nfs/dbraw/zinc/22/83/82/447228382.db2.gz JNGQFVVEHHPKDZ-QXSJWSMHSA-N 1 3 340.512 1.115 20 0 EDADHO C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369046772 447285701 /nfs/dbraw/zinc/28/57/01/447285701.db2.gz IMONEYQHDYFPDX-IRXDYDNUSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000372803337 447292082 /nfs/dbraw/zinc/29/20/82/447292082.db2.gz CKUXUSWAVWDRRV-YQVWRLOYSA-N 1 3 331.460 1.563 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000372803340 447292156 /nfs/dbraw/zinc/29/21/56/447292156.db2.gz CKUXUSWAVWDRRV-ZHALLVOQSA-N 1 3 331.460 1.563 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000369027086 447272730 /nfs/dbraw/zinc/27/27/30/447272730.db2.gz LAMKVBGMWYUAJH-HOTGVXAUSA-N 1 3 326.485 1.268 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458813565 447481069 /nfs/dbraw/zinc/48/10/69/447481069.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458813565 447481074 /nfs/dbraw/zinc/48/10/74/447481074.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1CN(C)C ZINC000415509604 447487673 /nfs/dbraw/zinc/48/76/73/447487673.db2.gz WXALWDUYLHDBLG-QGZVFWFLSA-N 1 3 348.491 1.827 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390847575 447502926 /nfs/dbraw/zinc/50/29/26/447502926.db2.gz BYWFXUOHJVZWBV-MSOLQXFVSA-N 1 3 331.460 1.536 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390867558 447504929 /nfs/dbraw/zinc/50/49/29/447504929.db2.gz ONMCAPZCYOIEDF-ZWKOTPCHSA-N 1 3 333.476 1.625 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427322562 447580899 /nfs/dbraw/zinc/58/08/99/447580899.db2.gz UHERYDJJOIESAR-OAHLLOKOSA-N 1 3 325.497 1.772 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCCN1CCO ZINC000457529604 447587966 /nfs/dbraw/zinc/58/79/66/447587966.db2.gz RERMTUXNBDYMBJ-INIZCTEOSA-N 1 3 326.485 1.008 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015044 447530441 /nfs/dbraw/zinc/53/04/41/447530441.db2.gz VWDJGKGSVDGGKP-ONGXEEELSA-N 1 3 328.404 1.003 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000420131322 447622955 /nfs/dbraw/zinc/62/29/55/447622955.db2.gz XEDQZBQEJJVVLP-INIZCTEOSA-N 1 3 340.512 1.201 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634402 447681027 /nfs/dbraw/zinc/68/10/27/447681027.db2.gz JOKLVJDGTVIWLL-NFAWXSAZSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1CN ZINC000422634402 447681030 /nfs/dbraw/zinc/68/10/30/447681030.db2.gz JOKLVJDGTVIWLL-NFAWXSAZSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1CN ZINC000422634402 447681033 /nfs/dbraw/zinc/68/10/33/447681033.db2.gz JOKLVJDGTVIWLL-NFAWXSAZSA-N 1 3 332.448 1.419 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNC(=O)c1ccc(Br)cc1 ZINC000422735585 447732704 /nfs/dbraw/zinc/73/27/04/447732704.db2.gz WFKVYKJDZORLAL-TZMCWYRMSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422735585 447732707 /nfs/dbraw/zinc/73/27/07/447732707.db2.gz WFKVYKJDZORLAL-TZMCWYRMSA-N 1 3 340.265 1.896 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755781 447740358 /nfs/dbraw/zinc/74/03/58/447740358.db2.gz HATOOXLTHGKUGH-DOMZBBRYSA-N 1 3 345.896 1.725 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459733024 447754382 /nfs/dbraw/zinc/75/43/82/447754382.db2.gz GEZSJZRRWJJKGX-MRXNPFEDSA-N 1 3 336.480 1.885 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000459733024 447754387 /nfs/dbraw/zinc/75/43/87/447754387.db2.gz GEZSJZRRWJJKGX-MRXNPFEDSA-N 1 3 336.480 1.885 20 0 EDADHO COC[C@H](CCC[NH3+])NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422816600 447757836 /nfs/dbraw/zinc/75/78/36/447757836.db2.gz AYNRYMQWURTLPR-IBGZPJMESA-N 1 3 347.503 1.811 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C[C@H](C)N)CC2)cc1 ZINC000422818074 447758632 /nfs/dbraw/zinc/75/86/32/447758632.db2.gz FLIFKRXTNICVDN-LSDHHAIUSA-N 1 3 339.505 1.864 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000422920306 447773633 /nfs/dbraw/zinc/77/36/33/447773633.db2.gz MFUUERJGRZFXQO-MLHJIOFPSA-N 1 3 331.460 1.487 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000422986771 447787992 /nfs/dbraw/zinc/78/79/92/447787992.db2.gz HHTNZONYMBDFQW-CGTJXYLNSA-N 1 3 325.460 1.994 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023654 447789514 /nfs/dbraw/zinc/78/95/14/447789514.db2.gz MOOKYMJBDCKUBJ-SQNIBIBYSA-N 1 3 338.540 1.674 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CN(C2CC2)CCO1 ZINC000423029200 447793838 /nfs/dbraw/zinc/79/38/38/447793838.db2.gz RZOMBQFFJMGXNG-ILZDJORESA-N 1 3 343.471 1.695 20 0 EDADHO CN(CC[NH2+][C@H]1CCCCC[C@H]1N)S(=O)(=O)c1ccc(F)cc1 ZINC000423105267 447805781 /nfs/dbraw/zinc/80/57/81/447805781.db2.gz YVCQMIXECGGWEO-CVEARBPZSA-N 1 3 343.468 1.696 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489165887 447852069 /nfs/dbraw/zinc/85/20/69/447852069.db2.gz FODVHTZWZINZGU-LTIDMASMSA-N 1 3 338.496 1.079 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864393 /nfs/dbraw/zinc/86/43/93/447864393.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864398 /nfs/dbraw/zinc/86/43/98/447864398.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864498 /nfs/dbraw/zinc/86/44/98/447864498.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 1 3 334.508 1.841 20 0 EDADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864504 /nfs/dbraw/zinc/86/45/04/447864504.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 1 3 334.508 1.841 20 0 EDADHO CC(C)N(C)CC(=O)NCC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC000478988183 447822371 /nfs/dbraw/zinc/82/23/71/447822371.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 1 3 342.528 1.268 20 0 EDADHO CC(C)N(C)CC(=O)NCC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC000478988183 447822374 /nfs/dbraw/zinc/82/23/74/447822374.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 1 3 342.528 1.268 20 0 EDADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)C[N@H+](C)C(C)C ZINC000478988183 447822376 /nfs/dbraw/zinc/82/23/76/447822376.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 1 3 342.528 1.268 20 0 EDADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)C[N@@H+](C)C(C)C ZINC000478988183 447822378 /nfs/dbraw/zinc/82/23/78/447822378.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 1 3 342.528 1.268 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943149 /nfs/dbraw/zinc/94/31/49/447943149.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 1 3 337.508 1.676 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943153 /nfs/dbraw/zinc/94/31/53/447943153.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 1 3 337.508 1.676 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000524403443 447929728 /nfs/dbraw/zinc/92/97/28/447929728.db2.gz VHQFCEHUTPURIL-UHFFFAOYSA-N 1 3 331.464 1.043 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000524403443 447929733 /nfs/dbraw/zinc/92/97/33/447929733.db2.gz VHQFCEHUTPURIL-UHFFFAOYSA-N 1 3 331.464 1.043 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](O)C(C)(C)C3)CC2)CC1 ZINC000575934885 447933016 /nfs/dbraw/zinc/93/30/16/447933016.db2.gz ZUYBPABWPYCRGM-KRWDZBQOSA-N 1 3 337.508 1.412 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258890 448013993 /nfs/dbraw/zinc/01/39/93/448013993.db2.gz FLQDEAUNDPEVKR-CABCVRRESA-N 1 3 329.485 1.536 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258890 448013999 /nfs/dbraw/zinc/01/39/99/448013999.db2.gz FLQDEAUNDPEVKR-CABCVRRESA-N 1 3 329.485 1.536 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258890 448014005 /nfs/dbraw/zinc/01/40/05/448014005.db2.gz FLQDEAUNDPEVKR-CABCVRRESA-N 1 3 329.485 1.536 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531007150 447999075 /nfs/dbraw/zinc/99/90/75/447999075.db2.gz AJNMFAGBVMAHMJ-GOEBONIOSA-N 1 3 328.526 1.453 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000531007150 447999080 /nfs/dbraw/zinc/99/90/80/447999080.db2.gz AJNMFAGBVMAHMJ-GOEBONIOSA-N 1 3 328.526 1.453 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290987 448021080 /nfs/dbraw/zinc/02/10/80/448021080.db2.gz VXNZUFZRSGRKML-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290987 448021084 /nfs/dbraw/zinc/02/10/84/448021084.db2.gz VXNZUFZRSGRKML-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+](C[C@@H](O)CN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940958 448055905 /nfs/dbraw/zinc/05/59/05/448055905.db2.gz FMNJXEASNATYHN-HOCLYGCPSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940958 448055911 /nfs/dbraw/zinc/05/59/11/448055911.db2.gz FMNJXEASNATYHN-HOCLYGCPSA-N 1 3 341.496 1.821 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000531357107 448068870 /nfs/dbraw/zinc/06/88/70/448068870.db2.gz INIGAEWXEZCSIS-UHFFFAOYSA-N 1 3 343.475 1.367 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C1 ZINC000501742042 448096039 /nfs/dbraw/zinc/09/60/39/448096039.db2.gz AAMWXXATCONZFM-FZKCQIBNSA-N 1 3 326.485 1.220 20 0 EDADHO COC(=O)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526134414 448108170 /nfs/dbraw/zinc/10/81/70/448108170.db2.gz KIDDRYAWFNCXEW-UHFFFAOYSA-N 1 3 336.436 1.430 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000526975561 448128771 /nfs/dbraw/zinc/12/87/71/448128771.db2.gz SJQCQMAXRUVZFA-AWEZNQCLSA-N 1 3 345.447 1.159 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000571295709 448129857 /nfs/dbraw/zinc/12/98/57/448129857.db2.gz XWZUMFJSWYRIEM-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000571295709 448129863 /nfs/dbraw/zinc/12/98/63/448129863.db2.gz XWZUMFJSWYRIEM-CYBMUJFWSA-N 1 3 332.448 1.117 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000527058442 448150096 /nfs/dbraw/zinc/15/00/96/448150096.db2.gz LOIYFOROAILLAL-HXUWFJFHSA-N 1 3 347.503 1.814 20 0 EDADHO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000556919734 448172191 /nfs/dbraw/zinc/17/21/91/448172191.db2.gz HMMVULBNJJOKQK-MRXNPFEDSA-N 1 3 329.510 1.265 20 0 EDADHO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272373 448303429 /nfs/dbraw/zinc/30/34/29/448303429.db2.gz CALRFIHJUPSFHZ-JKSUJKDBSA-N 1 3 339.480 1.239 20 0 EDADHO CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272373 448303433 /nfs/dbraw/zinc/30/34/33/448303433.db2.gz CALRFIHJUPSFHZ-JKSUJKDBSA-N 1 3 339.480 1.239 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394508 448367791 /nfs/dbraw/zinc/36/77/91/448367791.db2.gz FKLVIJUHCFVKJK-BRWVUGGUSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)C[C@@H](C)O1 ZINC000572394508 448367795 /nfs/dbraw/zinc/36/77/95/448367795.db2.gz FKLVIJUHCFVKJK-BRWVUGGUSA-N 1 3 327.513 1.168 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)CC1 ZINC000583000690 448398799 /nfs/dbraw/zinc/39/87/99/448398799.db2.gz UORCIEOYLUMZDU-OAHLLOKOSA-N 1 3 342.447 1.086 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc4c(c3)CNC4)n2)CC1 ZINC000583192627 448426047 /nfs/dbraw/zinc/42/60/47/448426047.db2.gz SSPFVQVVEAKZSP-UHFFFAOYSA-N 1 3 340.431 2.397 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@H]1CCCN(C)C1 ZINC000566298721 448440066 /nfs/dbraw/zinc/44/00/66/448440066.db2.gz CSBBKVDNYUEKCG-UXLLHSPISA-N 1 3 344.459 1.529 20 0 EDADHO C[C@@H]1C[N@@H+](CCCCNC(=O)c2conc2C(C)(C)N)C[C@H](C)O1 ZINC000516783978 448473606 /nfs/dbraw/zinc/47/36/06/448473606.db2.gz HJZDXBPPGHIGNH-BETUJISGSA-N 1 3 338.452 1.488 20 0 EDADHO C[C@@H]1C[N@H+](CCCCNC(=O)c2conc2C(C)(C)N)C[C@H](C)O1 ZINC000516783978 448473612 /nfs/dbraw/zinc/47/36/12/448473612.db2.gz HJZDXBPPGHIGNH-BETUJISGSA-N 1 3 338.452 1.488 20 0 EDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000528317402 448486057 /nfs/dbraw/zinc/48/60/57/448486057.db2.gz VLKXCTLQBBRTON-FSZRXZPDSA-N 1 3 337.508 1.721 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000578504955 448562958 /nfs/dbraw/zinc/56/29/58/448562958.db2.gz DCZPBSYSEOVZTF-UHFFFAOYSA-N 1 3 326.485 1.175 20 0 EDADHO C[C@@H]1CCC[N@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000517752875 448615957 /nfs/dbraw/zinc/61/59/57/448615957.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000517752875 448615960 /nfs/dbraw/zinc/61/59/60/448615960.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000578733820 448620695 /nfs/dbraw/zinc/62/06/95/448620695.db2.gz KZGMCGWNNICHFF-UHFFFAOYSA-N 1 3 330.476 1.460 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267763 448653871 /nfs/dbraw/zinc/65/38/71/448653871.db2.gz LKAQFRZULQBZSI-FCEWJHQRSA-N 1 3 335.492 1.510 20 0 EDADHO NC(=O)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830837 448725806 /nfs/dbraw/zinc/72/58/06/448725806.db2.gz LFDRAPXYHGTXSF-DNVCBOLYSA-N 1 3 329.444 1.878 20 0 EDADHO CCc1nc(C)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000579664705 448844060 /nfs/dbraw/zinc/84/40/60/448844060.db2.gz WZTXFFOJUSFQAA-UHFFFAOYSA-N 1 3 325.457 1.180 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000588711922 448920213 /nfs/dbraw/zinc/92/02/13/448920213.db2.gz VDTLXCOZBBWBMQ-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCN2C2CCCC2)ccn1 ZINC000530021871 449026268 /nfs/dbraw/zinc/02/62/68/449026268.db2.gz AFRCLJXBTAYQOT-QGZVFWFLSA-N 1 3 346.475 1.769 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000522330339 449077978 /nfs/dbraw/zinc/07/79/78/449077978.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000522330339 449077982 /nfs/dbraw/zinc/07/79/82/449077982.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN([C@H]2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000595929641 449260229 /nfs/dbraw/zinc/26/02/29/449260229.db2.gz ODQJQOYHRFPPCV-HNNXBMFYSA-N 1 3 348.516 1.246 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)c21 ZINC000595958608 449282672 /nfs/dbraw/zinc/28/26/72/449282672.db2.gz FQSTYERZMJXACS-BPUTZDHNSA-N 1 3 331.464 1.466 20 0 EDADHO COc1ccc2c(NCC[N@H+](C)CCCN(C)C)ncnc2c1F ZINC000596425225 449495381 /nfs/dbraw/zinc/49/53/81/449495381.db2.gz QWXVUDBRWUQBNB-UHFFFAOYSA-N 1 3 335.427 2.073 20 0 EDADHO COc1ccc2c(NCC[N@@H+](C)CCCN(C)C)ncnc2c1F ZINC000596425225 449495387 /nfs/dbraw/zinc/49/53/87/449495387.db2.gz QWXVUDBRWUQBNB-UHFFFAOYSA-N 1 3 335.427 2.073 20 0 EDADHO Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc12 ZINC000617504664 449650120 /nfs/dbraw/zinc/65/01/20/449650120.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 1 3 345.491 1.573 20 0 EDADHO Cc1cccn2cc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc12 ZINC000617504664 449650124 /nfs/dbraw/zinc/65/01/24/449650124.db2.gz DTRCUJNOQNCILR-INIZCTEOSA-N 1 3 345.491 1.573 20 0 EDADHO Cc1[nH]nc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc12 ZINC000617504955 449650447 /nfs/dbraw/zinc/65/04/47/449650447.db2.gz QQNAHCBQACAPDW-LBPRGKRZSA-N 1 3 332.452 1.268 20 0 EDADHO Cc1[nH]nc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc12 ZINC000617504955 449650452 /nfs/dbraw/zinc/65/04/52/449650452.db2.gz QQNAHCBQACAPDW-LBPRGKRZSA-N 1 3 332.452 1.268 20 0 EDADHO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506620 449656745 /nfs/dbraw/zinc/65/67/45/449656745.db2.gz UALMWVVFJIFXQH-KBPBESRZSA-N 1 3 337.512 1.908 20 0 EDADHO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506620 449656752 /nfs/dbraw/zinc/65/67/52/449656752.db2.gz UALMWVVFJIFXQH-KBPBESRZSA-N 1 3 337.512 1.908 20 0 EDADHO CCOC(=O)c1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)[nH]1 ZINC000602534995 449657436 /nfs/dbraw/zinc/65/74/36/449657436.db2.gz WHSBNVRMBPMZLA-UHFFFAOYSA-N 1 3 348.491 1.840 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccccc1F ZINC000617503766 449646097 /nfs/dbraw/zinc/64/60/97/449646097.db2.gz YFKSTLGXBREVJX-AWEZNQCLSA-N 1 3 325.428 1.593 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccccc1F ZINC000617503766 449646100 /nfs/dbraw/zinc/64/61/00/449646100.db2.gz YFKSTLGXBREVJX-AWEZNQCLSA-N 1 3 325.428 1.593 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000617502548 449646144 /nfs/dbraw/zinc/64/61/44/449646144.db2.gz UBIQFLJHXVGWIO-YJBOKZPZSA-N 1 3 333.476 1.768 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCc2ccccc2O1 ZINC000617502548 449646158 /nfs/dbraw/zinc/64/61/58/449646158.db2.gz UBIQFLJHXVGWIO-YJBOKZPZSA-N 1 3 333.476 1.768 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000612481700 449731030 /nfs/dbraw/zinc/73/10/30/449731030.db2.gz DVTMETVGWBGHDM-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@]1(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877268 449922931 /nfs/dbraw/zinc/92/29/31/449922931.db2.gz RDAQALICLUQBPM-PKOBYXMFSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000612964244 449960031 /nfs/dbraw/zinc/96/00/31/449960031.db2.gz OWUROKVPZAADSY-DLBZAZTESA-N 1 3 328.460 1.702 20 0 EDADHO CC(C)N1CCN([C@H]2CC[N@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340350 450054241 /nfs/dbraw/zinc/05/42/41/450054241.db2.gz RTJIDLKBTBVOLT-QRVBRYPASA-N 1 3 338.540 1.196 20 0 EDADHO CC(C)N1CCN([C@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340350 450054246 /nfs/dbraw/zinc/05/42/46/450054246.db2.gz RTJIDLKBTBVOLT-QRVBRYPASA-N 1 3 338.540 1.196 20 0 EDADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000618307373 450132132 /nfs/dbraw/zinc/13/21/32/450132132.db2.gz CEJZFJMYZXJZBR-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000618307373 450132135 /nfs/dbraw/zinc/13/21/35/450132135.db2.gz CEJZFJMYZXJZBR-UHFFFAOYSA-N 1 3 340.512 1.119 20 0 EDADHO C[N@H+](C[C@@H](O)CNC1(CC(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000595550946 450226196 /nfs/dbraw/zinc/22/61/96/450226196.db2.gz PQLCBPBOFRLKCP-HNNXBMFYSA-N 1 3 342.480 1.312 20 0 EDADHO C[N@@H+](C[C@@H](O)CNC1(CC(=O)OC(C)(C)C)CCOCC1)C1CC1 ZINC000595550946 450226199 /nfs/dbraw/zinc/22/61/99/450226199.db2.gz PQLCBPBOFRLKCP-HNNXBMFYSA-N 1 3 342.480 1.312 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314107 /nfs/dbraw/zinc/31/41/07/450314107.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 1 3 331.460 1.169 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314114 /nfs/dbraw/zinc/31/41/14/450314114.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 1 3 331.460 1.169 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000619904861 450369914 /nfs/dbraw/zinc/36/99/14/450369914.db2.gz QYPVNIKDVMLHSA-CVEARBPZSA-N 1 3 325.522 1.804 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000616783033 450483956 /nfs/dbraw/zinc/48/39/56/450483956.db2.gz XXWKBVIDGFMJNJ-HOTGVXAUSA-N 1 3 340.512 1.210 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616783033 450483959 /nfs/dbraw/zinc/48/39/59/450483959.db2.gz XXWKBVIDGFMJNJ-HOTGVXAUSA-N 1 3 340.512 1.210 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478874 450498008 /nfs/dbraw/zinc/49/80/08/450498008.db2.gz JISYPHKMMWZYKD-RTBURBONSA-N 1 3 345.487 1.737 20 0 EDADHO CN(C)[C@H](CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478874 450498009 /nfs/dbraw/zinc/49/80/09/450498009.db2.gz JISYPHKMMWZYKD-RTBURBONSA-N 1 3 345.487 1.737 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000623716161 450570994 /nfs/dbraw/zinc/57/09/94/450570994.db2.gz HRBJCBRWKATKDU-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO O[C@@H](C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)CN1CCCC1 ZINC000629567144 450739697 /nfs/dbraw/zinc/73/96/97/450739697.db2.gz WPAQVQXLMDRKHH-SFHVURJKSA-N 1 3 332.423 1.600 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860055 450830627 /nfs/dbraw/zinc/83/06/27/450830627.db2.gz GYPPBEDPELGUCF-PKOBYXMFSA-N 1 3 344.503 1.451 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631889399 450851041 /nfs/dbraw/zinc/85/10/41/450851041.db2.gz FMYTZKHAWSFXPN-UHFFFAOYSA-N 1 3 345.553 1.854 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)CCCN2CCCC2)CC1 ZINC000631889399 450851043 /nfs/dbraw/zinc/85/10/43/450851043.db2.gz FMYTZKHAWSFXPN-UHFFFAOYSA-N 1 3 345.553 1.854 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000631943024 450900560 /nfs/dbraw/zinc/90/05/60/450900560.db2.gz LFHCMYPGGNRJAD-HZPDHXFCSA-N 1 3 329.510 1.409 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000624616627 450926477 /nfs/dbraw/zinc/92/64/77/450926477.db2.gz HKFFSLOAISLYBE-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000624616627 450926482 /nfs/dbraw/zinc/92/64/82/450926482.db2.gz HKFFSLOAISLYBE-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)c1 ZINC000626923301 451005895 /nfs/dbraw/zinc/00/58/95/451005895.db2.gz QMKALTNMJRVHFM-BMGDILEWSA-N 1 3 346.475 1.882 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000632058114 451006687 /nfs/dbraw/zinc/00/66/87/451006687.db2.gz ZSCNKGAZJWOFKI-QGZVFWFLSA-N 1 3 343.537 1.466 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000632058114 451006695 /nfs/dbraw/zinc/00/66/95/451006695.db2.gz ZSCNKGAZJWOFKI-QGZVFWFLSA-N 1 3 343.537 1.466 20 0 EDADHO [NH3+]CCCOCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000626934956 451017287 /nfs/dbraw/zinc/01/72/87/451017287.db2.gz SIEATVKABCNNQD-UHFFFAOYSA-N 1 3 334.464 1.099 20 0 EDADHO CCN(CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964902 451037711 /nfs/dbraw/zinc/03/77/11/451037711.db2.gz LLAYAVIIDMLDFD-AAEUAGOBSA-N 1 3 336.402 1.639 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000627070325 451110488 /nfs/dbraw/zinc/11/04/88/451110488.db2.gz ABWLGNMZHXMEKF-INIZCTEOSA-N 1 3 334.464 1.617 20 0 EDADHO C[NH+](C)CC1(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000635631033 451120000 /nfs/dbraw/zinc/12/00/00/451120000.db2.gz PZPPVXZODWOCOE-IBGZPJMESA-N 1 3 331.460 1.081 20 0 EDADHO C[NH+](C)CC1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000635631958 451122042 /nfs/dbraw/zinc/12/20/42/451122042.db2.gz YGDKKEXBVLRURI-UHFFFAOYSA-N 1 3 345.487 1.601 20 0 EDADHO CN(CC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)CC(C)(C)C ZINC000635723182 451199029 /nfs/dbraw/zinc/19/90/29/451199029.db2.gz ZDIZTJOJMXAXOQ-BZUAXINKSA-N 1 3 325.497 1.674 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCN(C)CC3)ccn2)CC[N@@H+]1C ZINC000634194303 451231480 /nfs/dbraw/zinc/23/14/80/451231480.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 1 3 331.464 1.502 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2cc(N3CCN(C)CC3)ccn2)CC[N@H+]1C ZINC000634194303 451231483 /nfs/dbraw/zinc/23/14/83/451231483.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 1 3 331.464 1.502 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000628453898 451254938 /nfs/dbraw/zinc/25/49/38/451254938.db2.gz NYKNAEDONQXJRV-KDURUIRLSA-N 1 3 336.476 1.440 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638103478 451269977 /nfs/dbraw/zinc/26/99/77/451269977.db2.gz OTBSNQPJGLJTHA-KPFFTGBYSA-N 1 3 345.487 1.911 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000638116013 451284969 /nfs/dbraw/zinc/28/49/69/451284969.db2.gz BZUIZGHBKKMVTL-ZIFCJYIRSA-N 1 3 331.460 1.534 20 0 EDADHO CN1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000638137790 451313265 /nfs/dbraw/zinc/31/32/65/451313265.db2.gz NVSNNEJBNLOSII-IBGZPJMESA-N 1 3 344.503 1.481 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200086 451351240 /nfs/dbraw/zinc/35/12/40/451351240.db2.gz NTWGPRSTXLQWOB-ZIAGYGMSSA-N 1 3 345.447 1.303 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638288029 451404031 /nfs/dbraw/zinc/40/40/31/451404031.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 1 3 332.492 1.244 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638288029 451404033 /nfs/dbraw/zinc/40/40/33/451404033.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 1 3 332.492 1.244 20 0 EDADHO CC(C)N1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638320829 451430680 /nfs/dbraw/zinc/43/06/80/451430680.db2.gz SFDJOWWRNBKNGB-UHFFFAOYSA-N 1 3 331.526 1.699 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724284 451505403 /nfs/dbraw/zinc/50/54/03/451505403.db2.gz NGDSPMUNJJWCCJ-RLLQIKCJSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CN1CCOCC1 ZINC000634724284 451505405 /nfs/dbraw/zinc/50/54/05/451505405.db2.gz NGDSPMUNJJWCCJ-RLLQIKCJSA-N 1 3 347.503 1.037 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CN1CCOCC1 ZINC000634724284 451505410 /nfs/dbraw/zinc/50/54/10/451505410.db2.gz NGDSPMUNJJWCCJ-RLLQIKCJSA-N 1 3 347.503 1.037 20 0 EDADHO O=C(Cc1cccc2c1CC[NH2+]C2)NC1CCN([C@@H]2CCOC2)CC1 ZINC000638424122 451507199 /nfs/dbraw/zinc/50/71/99/451507199.db2.gz IAMCFHXSISTDKP-GOSISDBHSA-N 1 3 343.471 1.244 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCCN1 ZINC000638560157 451576839 /nfs/dbraw/zinc/57/68/39/451576839.db2.gz CZZRXNOCZAACGO-OBJOEFQTSA-N 1 3 337.386 1.131 20 0 EDADHO CN(CCOCC[NH3+])C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000638674947 451646369 /nfs/dbraw/zinc/64/63/69/451646369.db2.gz NTOLMRBBYPAFJL-UHFFFAOYSA-N 1 3 348.491 1.023 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)c2)CC1 ZINC000632934741 451659352 /nfs/dbraw/zinc/65/93/52/451659352.db2.gz VCTAAGHCGOBQJN-HZPDHXFCSA-N 1 3 345.491 1.887 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000632933241 451659365 /nfs/dbraw/zinc/65/93/65/451659365.db2.gz HWRZMAXBKBMXOP-CALCHBBNSA-N 1 3 343.475 1.797 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800640 451694829 /nfs/dbraw/zinc/69/48/29/451694829.db2.gz OBJCKFHJBAWNHR-ICSRJNTNSA-N 1 3 345.487 1.783 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800640 451694832 /nfs/dbraw/zinc/69/48/32/451694832.db2.gz OBJCKFHJBAWNHR-ICSRJNTNSA-N 1 3 345.487 1.783 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000641042150 451740100 /nfs/dbraw/zinc/74/01/00/451740100.db2.gz GUMCHOGFGJULOL-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CN1CCC(n2cc(NC(=O)COC3CCC([NH3+])CC3)cn2)CC1 ZINC000638976609 451744115 /nfs/dbraw/zinc/74/41/15/451744115.db2.gz ATBBDKMLQKYUHV-UHFFFAOYSA-N 1 3 335.452 1.375 20 0 EDADHO C[C@H](CC(=O)Nc1cc(N2CCNCC2)ccn1)[C@H]1CCC[NH2+]C1 ZINC000638987684 451747942 /nfs/dbraw/zinc/74/79/42/451747942.db2.gz WIYKVOUZDPZRDC-CABCVRRESA-N 1 3 331.464 1.456 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[NH2+]C1CC1 ZINC000637328570 451790612 /nfs/dbraw/zinc/79/06/12/451790612.db2.gz ALSVQYIGRZACFG-UHFFFAOYSA-N 1 3 340.418 1.790 20 0 EDADHO O=C(C[NH2+][C@@H]1CCc2cccnc2CC1)NCCN1CCCCCC1 ZINC000639207133 451792055 /nfs/dbraw/zinc/79/20/55/451792055.db2.gz WNYKWPZVSJIDAI-GOSISDBHSA-N 1 3 344.503 1.911 20 0 EDADHO COCC[N@H+](C)CC[C@@H](NCC1(O)CCOCC1)c1ccccc1 ZINC000644546224 451854280 /nfs/dbraw/zinc/85/42/80/451854280.db2.gz BBBVLQBIFRLEMS-GOSISDBHSA-N 1 3 336.476 1.827 20 0 EDADHO COCC[N@@H+](C)CC[C@@H](NCC1(O)CCOCC1)c1ccccc1 ZINC000644546224 451854286 /nfs/dbraw/zinc/85/42/86/451854286.db2.gz BBBVLQBIFRLEMS-GOSISDBHSA-N 1 3 336.476 1.827 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522590 451922841 /nfs/dbraw/zinc/92/28/41/451922841.db2.gz GVUDZGNUMPKDQK-MRXNPFEDSA-N 1 3 349.479 1.345 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522590 451922842 /nfs/dbraw/zinc/92/28/42/451922842.db2.gz GVUDZGNUMPKDQK-MRXNPFEDSA-N 1 3 349.479 1.345 20 0 EDADHO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000649286005 451961023 /nfs/dbraw/zinc/96/10/23/451961023.db2.gz IVJOLGXXAPSKSI-OAHLLOKOSA-N 1 3 329.435 1.956 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cc3cnccc3o2)CC1 ZINC000651625434 451971175 /nfs/dbraw/zinc/97/11/75/451971175.db2.gz CYAHPHUQDYLYAJ-UHFFFAOYSA-N 1 3 330.432 1.718 20 0 EDADHO COCCN(C)C[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981746 /nfs/dbraw/zinc/98/17/46/451981746.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 1 3 341.540 1.514 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649313004 451991754 /nfs/dbraw/zinc/99/17/54/451991754.db2.gz WETUYYNODFBPNM-OIISXLGYSA-N 1 3 331.485 1.967 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681950 452020821 /nfs/dbraw/zinc/02/08/21/452020821.db2.gz AZNFAAQJGHPIMX-KRWDZBQOSA-N 1 3 335.448 1.150 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342657 452022869 /nfs/dbraw/zinc/02/28/69/452022869.db2.gz HDOMSPGECIZNNJ-JKSUJKDBSA-N 1 3 337.414 1.964 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000649343466 452025172 /nfs/dbraw/zinc/02/51/72/452025172.db2.gz ABWWJSNJGNVFJG-BEFAXECRSA-N 1 3 345.487 1.635 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000649345392 452025735 /nfs/dbraw/zinc/02/57/35/452025735.db2.gz YXNHHZDPJFOCCP-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1(C)CNC1 ZINC000649345392 452025738 /nfs/dbraw/zinc/02/57/38/452025738.db2.gz YXNHHZDPJFOCCP-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649345709 452025927 /nfs/dbraw/zinc/02/59/27/452025927.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 1 3 346.475 1.379 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(N)CCN(C)C3)cc2)C1 ZINC000649345709 452025933 /nfs/dbraw/zinc/02/59/33/452025933.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 1 3 346.475 1.379 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346626 452028717 /nfs/dbraw/zinc/02/87/17/452028717.db2.gz WRFUHAWZWQWXFT-CQSZACIVSA-N 1 3 333.423 1.237 20 0 EDADHO CCN(CC)CCNS(=O)(=O)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000649443262 452085451 /nfs/dbraw/zinc/08/54/51/452085451.db2.gz XYIPSMNXICNNNA-UHFFFAOYSA-N 1 3 337.489 1.683 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000637808227 452094041 /nfs/dbraw/zinc/09/40/41/452094041.db2.gz AEPUQLJOZXDLNS-QGZVFWFLSA-N 1 3 326.444 1.804 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)C1CCCCC1 ZINC000637859687 452118027 /nfs/dbraw/zinc/11/80/27/452118027.db2.gz XIDGLRQGCUVLNG-QGZVFWFLSA-N 1 3 331.464 1.821 20 0 EDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647217124 452130259 /nfs/dbraw/zinc/13/02/59/452130259.db2.gz AAUBVLKTXUHGKA-LBPRGKRZSA-N 1 3 329.441 1.295 20 0 EDADHO C[N@H+]1CCC[C@@H](CCNCc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647217124 452130264 /nfs/dbraw/zinc/13/02/64/452130264.db2.gz AAUBVLKTXUHGKA-LBPRGKRZSA-N 1 3 329.441 1.295 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000637881888 452134381 /nfs/dbraw/zinc/13/43/81/452134381.db2.gz RXCYWQSPTAZJCN-SFHVURJKSA-N 1 3 346.519 1.826 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659433214 452278672 /nfs/dbraw/zinc/27/86/72/452278672.db2.gz ICPLCSQDVUXXCD-INIZCTEOSA-N 1 3 347.507 1.231 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659433629 452279945 /nfs/dbraw/zinc/27/99/45/452279945.db2.gz AFJJWBOUMODIRV-CAOSSQGBSA-N 1 3 328.476 1.825 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)NCC1(N2CCSCC2)CCCC1 ZINC000659438470 452285906 /nfs/dbraw/zinc/28/59/06/452285906.db2.gz YCROZKHCSIJGGK-UHFFFAOYSA-N 1 3 338.521 1.399 20 0 EDADHO CN1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659441936 452290220 /nfs/dbraw/zinc/29/02/20/452290220.db2.gz XCGSCWJJXPMMII-GVDBMIGSSA-N 1 3 334.439 1.665 20 0 EDADHO CCN1CCCN(c2ncnc(N3CCC[N@H+](CC)CC3)c2C)CC1 ZINC000663578562 452302026 /nfs/dbraw/zinc/30/20/26/452302026.db2.gz GEASJTYCVBLZRN-UHFFFAOYSA-N 1 3 346.523 1.849 20 0 EDADHO CCN1CCCN(c2ncnc(N3CCC[N@@H+](CC)CC3)c2C)CC1 ZINC000663578562 452302036 /nfs/dbraw/zinc/30/20/36/452302036.db2.gz GEASJTYCVBLZRN-UHFFFAOYSA-N 1 3 346.523 1.849 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050470 452318827 /nfs/dbraw/zinc/31/88/27/452318827.db2.gz OMXJYOSZXBOTNF-IBGZPJMESA-N 1 3 346.519 1.828 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000665758989 452328182 /nfs/dbraw/zinc/32/81/82/452328182.db2.gz WFQUQLOBKQVYGX-SOUVJXGZSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000665758989 452328191 /nfs/dbraw/zinc/32/81/91/452328191.db2.gz WFQUQLOBKQVYGX-SOUVJXGZSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000665762330 452338698 /nfs/dbraw/zinc/33/86/98/452338698.db2.gz AUWRVJRQULFLOZ-OFQRWUPVSA-N 1 3 346.466 1.945 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000665762330 452338712 /nfs/dbraw/zinc/33/87/12/452338712.db2.gz AUWRVJRQULFLOZ-OFQRWUPVSA-N 1 3 346.466 1.945 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCOC2 ZINC000665762889 452340589 /nfs/dbraw/zinc/34/05/89/452340589.db2.gz STVBZCLKRSBOAT-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(C1)CCCOC2 ZINC000665762889 452340600 /nfs/dbraw/zinc/34/06/00/452340600.db2.gz STVBZCLKRSBOAT-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000638062342 452355746 /nfs/dbraw/zinc/35/57/46/452355746.db2.gz FMRNZISYWQCNTA-AEFFLSMTSA-N 1 3 335.448 1.010 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000638062291 452355924 /nfs/dbraw/zinc/35/59/24/452355924.db2.gz DUSAVQLQDINUSZ-QUCCMNQESA-N 1 3 345.487 1.843 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000638067599 452370090 /nfs/dbraw/zinc/37/00/90/452370090.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000638067599 452370095 /nfs/dbraw/zinc/37/00/95/452370095.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 1 3 346.519 1.682 20 0 EDADHO COC[C@@]1(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077411 452389128 /nfs/dbraw/zinc/38/91/28/452389128.db2.gz SBLZLZSZXGDJPE-SOLBZPMBSA-N 1 3 341.496 1.151 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000659556239 452413706 /nfs/dbraw/zinc/41/37/06/452413706.db2.gz DFMLRKPBQOWJPR-QGZVFWFLSA-N 1 3 332.448 1.198 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567677 452423940 /nfs/dbraw/zinc/42/39/40/452423940.db2.gz XWVDXSADGCDHRH-QGZVFWFLSA-N 1 3 331.464 1.297 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659581796 452437169 /nfs/dbraw/zinc/43/71/69/452437169.db2.gz BYYHUEZXHPAOCH-QZTJIDSGSA-N 1 3 348.491 1.352 20 0 EDADHO Cn1cc(-c2cc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364038 452543755 /nfs/dbraw/zinc/54/37/55/452543755.db2.gz VWMSCAWNPMFBKR-OLMNPRSZSA-N 1 3 345.447 1.936 20 0 EDADHO C[C@@H]1CN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760009 452561754 /nfs/dbraw/zinc/56/17/54/452561754.db2.gz UVNSJPUZLKTFTE-IEBWSBKVSA-N 1 3 339.524 1.720 20 0 EDADHO CN(CCC(=O)NCc1ccccc1Cl)CCN1CC[NH2+]CC1 ZINC000647835084 452570772 /nfs/dbraw/zinc/57/07/72/452570772.db2.gz MAKPZLILMMRNKT-UHFFFAOYSA-N 1 3 338.883 1.183 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654528595 452609843 /nfs/dbraw/zinc/60/98/43/452609843.db2.gz XOFVLLBVPXBVCY-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655909812 452666128 /nfs/dbraw/zinc/66/61/28/452666128.db2.gz GNYXKSBTXHWYIM-STQMWFEESA-N 1 3 330.354 1.450 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655923192 452689133 /nfs/dbraw/zinc/68/91/33/452689133.db2.gz WGWCRNBULDSZRU-LBPRGKRZSA-N 1 3 340.390 1.065 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975638 452720011 /nfs/dbraw/zinc/72/00/11/452720011.db2.gz DACVLZMKFXPELE-ROUUACIJSA-N 1 3 345.487 1.893 20 0 EDADHO O=c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975681 452721104 /nfs/dbraw/zinc/72/11/04/452721104.db2.gz DMXYYDJPJSUEHC-CVEARBPZSA-N 1 3 326.444 1.906 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655958516 452739876 /nfs/dbraw/zinc/73/98/76/452739876.db2.gz LXQGPQFEKYYGHN-JQFCIGGWSA-N 1 3 344.459 1.778 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000652612649 452771214 /nfs/dbraw/zinc/77/12/14/452771214.db2.gz YJVJMOVIQFJAKR-OAHLLOKOSA-N 1 3 334.468 1.298 20 0 EDADHO C[NH+]1CCC(CNCc2cccc(F)c2F)(N2CCOCC2)CC1 ZINC000666407244 452847190 /nfs/dbraw/zinc/84/71/90/452847190.db2.gz KFBQXDHUQMPAEF-UHFFFAOYSA-N 1 3 339.430 1.851 20 0 EDADHO CCN1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342493 452855098 /nfs/dbraw/zinc/85/50/98/452855098.db2.gz ABARFZGBDDSSLS-FQEVSTJZSA-N 1 3 330.520 1.877 20 0 EDADHO CC[NH+]1CCC(NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658342493 452855110 /nfs/dbraw/zinc/85/51/10/452855110.db2.gz ABARFZGBDDSSLS-FQEVSTJZSA-N 1 3 330.520 1.877 20 0 EDADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890359 /nfs/dbraw/zinc/89/03/59/452890359.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 1 3 339.505 1.899 20 0 EDADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890366 /nfs/dbraw/zinc/89/03/66/452890366.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 1 3 339.505 1.899 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660057095 452972008 /nfs/dbraw/zinc/97/20/08/452972008.db2.gz UUZCKEDPDNHPLP-UHFFFAOYSA-N 1 3 333.476 1.593 20 0 EDADHO COc1cc2c(cc1OC)CCN(C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662254370 452982864 /nfs/dbraw/zinc/98/28/64/452982864.db2.gz PRUOMRVVIJQWCM-MRXNPFEDSA-N 1 3 332.444 1.625 20 0 EDADHO CCOc1ncccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664314128 452990423 /nfs/dbraw/zinc/99/04/23/452990423.db2.gz GSQLPYNXTLXPGR-AWEZNQCLSA-N 1 3 337.468 1.874 20 0 EDADHO CCOc1ncccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664314128 452990431 /nfs/dbraw/zinc/99/04/31/452990431.db2.gz GSQLPYNXTLXPGR-AWEZNQCLSA-N 1 3 337.468 1.874 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662287071 453012207 /nfs/dbraw/zinc/01/22/07/453012207.db2.gz VIPWLADIXNHHAX-ZNMIVQPWSA-N 1 3 336.484 1.189 20 0 EDADHO CO[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCOC1 ZINC000660107147 453032174 /nfs/dbraw/zinc/03/21/74/453032174.db2.gz MLFVHFVQCQNUJK-PKOBYXMFSA-N 1 3 339.524 1.528 20 0 EDADHO COC[C@H](CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)OC ZINC000662327554 453046759 /nfs/dbraw/zinc/04/67/59/453046759.db2.gz RTIUECTVFPCVJP-INIZCTEOSA-N 1 3 336.480 1.718 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644124749 453063966 /nfs/dbraw/zinc/06/39/66/453063966.db2.gz ICZZIMGDCLZCEI-OAHLLOKOSA-N 1 3 325.403 1.853 20 0 EDADHO [NH3+]CCn1cc(C(=O)Nc2cccc(CN3CCCCC3)c2)nn1 ZINC000662382297 453092320 /nfs/dbraw/zinc/09/23/20/453092320.db2.gz PYJHUUWIJFUDRE-UHFFFAOYSA-N 1 3 328.420 1.475 20 0 EDADHO O=C([C@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000644165999 453096290 /nfs/dbraw/zinc/09/62/90/453096290.db2.gz VBTVQDPSXJGMHD-GVDBMIGSSA-N 1 3 349.425 1.964 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000664441227 453097788 /nfs/dbraw/zinc/09/77/88/453097788.db2.gz LQLVBTQVBHYHLR-MWDXBVQZSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000664441227 453097794 /nfs/dbraw/zinc/09/77/94/453097794.db2.gz LQLVBTQVBHYHLR-MWDXBVQZSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000662389144 453099146 /nfs/dbraw/zinc/09/91/46/453099146.db2.gz VTNMXGOFJSBGTF-ZIAGYGMSSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000666831397 453175672 /nfs/dbraw/zinc/17/56/72/453175672.db2.gz CIQQQUKVIBPONC-CJNGLKHVSA-N 1 3 336.436 1.207 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000662466738 453176954 /nfs/dbraw/zinc/17/69/54/453176954.db2.gz IHSPFISTLJNHDZ-MRXNPFEDSA-N 1 3 347.463 1.839 20 0 EDADHO C[C@H](CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)[NH+](C)C ZINC000664626840 453263147 /nfs/dbraw/zinc/26/31/47/453263147.db2.gz UMPNIELBCFWMRQ-CRAIPNDOSA-N 1 3 348.491 1.393 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000648786952 453274205 /nfs/dbraw/zinc/27/42/05/453274205.db2.gz XFPBQRGXUFDOCL-BRWVUGGUSA-N 1 3 327.513 1.826 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000648786952 453274212 /nfs/dbraw/zinc/27/42/12/453274212.db2.gz XFPBQRGXUFDOCL-BRWVUGGUSA-N 1 3 327.513 1.826 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116726 453305297 /nfs/dbraw/zinc/30/52/97/453305297.db2.gz QDEGVEFLRAQJGS-RTBURBONSA-N 1 3 345.487 1.816 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597032 453322087 /nfs/dbraw/zinc/32/20/87/453322087.db2.gz VYQXOPSMWPBCFG-AXVVYFOYSA-N 1 3 349.519 1.757 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC[N@@H+]1C ZINC000648842518 453323528 /nfs/dbraw/zinc/32/35/28/453323528.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 1 3 345.487 1.326 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC[N@H+]1C ZINC000648842518 453323532 /nfs/dbraw/zinc/32/35/32/453323532.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 1 3 345.487 1.326 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000664758947 453383956 /nfs/dbraw/zinc/38/39/56/453383956.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 1 3 342.528 1.907 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000664758947 453383966 /nfs/dbraw/zinc/38/39/66/453383966.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 1 3 342.528 1.907 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000667094529 453401483 /nfs/dbraw/zinc/40/14/83/453401483.db2.gz VXJVCKHHCXAVDU-HNNXBMFYSA-N 1 3 332.448 1.334 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000662708177 453431034 /nfs/dbraw/zinc/43/10/34/453431034.db2.gz QHZHEUXKEQQJQX-ROUUACIJSA-N 1 3 347.459 1.193 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c(c2)CNC3)C1 ZINC000653260015 453441265 /nfs/dbraw/zinc/44/12/65/453441265.db2.gz BHFVMAMTWRQBQU-KZNAEPCWSA-N 1 3 329.444 1.791 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782620 453444640 /nfs/dbraw/zinc/44/46/40/453444640.db2.gz HVUFPAOFKIDKNP-INIZCTEOSA-N 1 3 341.455 1.994 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757066 453494013 /nfs/dbraw/zinc/49/40/13/453494013.db2.gz KEUZHZRJAVAOQW-MSOLQXFVSA-N 1 3 346.475 1.126 20 0 EDADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N1CCOCC1 ZINC000660674470 453504766 /nfs/dbraw/zinc/50/47/66/453504766.db2.gz CLLNDNIBSHXVML-UHFFFAOYSA-N 1 3 331.460 1.490 20 0 EDADHO C[C@@H](CNC(=O)NCc1ccc(Nc2ccncc2)cc1)[NH+](C)C ZINC000665044423 453550830 /nfs/dbraw/zinc/55/08/30/453550830.db2.gz TXYZQXPVKRIYRV-AWEZNQCLSA-N 1 3 327.432 1.996 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CC(F)F)cc1 ZINC000662866847 453579638 /nfs/dbraw/zinc/57/96/38/453579638.db2.gz KSHAKYFJZHXNBX-MJBXVCDLSA-N 1 3 327.375 1.239 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CCO1 ZINC000662972783 453630877 /nfs/dbraw/zinc/63/08/77/453630877.db2.gz MDEUZQFAEGZFAY-AEFFLSMTSA-N 1 3 331.460 1.443 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000665271055 453630901 /nfs/dbraw/zinc/63/09/01/453630901.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 1 3 339.528 1.186 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661206653 453758407 /nfs/dbraw/zinc/75/84/07/453758407.db2.gz UJGZQRDVDFMFLJ-GDBMZVCRSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661206653 453758410 /nfs/dbraw/zinc/75/84/10/453758410.db2.gz UJGZQRDVDFMFLJ-GDBMZVCRSA-N 1 3 326.485 1.268 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657348045 453770702 /nfs/dbraw/zinc/77/07/02/453770702.db2.gz ZWDODHDEZSXBKH-ZDUSSCGKSA-N 1 3 347.429 1.802 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)c1ccccc1 ZINC000663449029 453801367 /nfs/dbraw/zinc/80/13/67/453801367.db2.gz AGJHFVDTFRBMJU-SQNIBIBYSA-N 1 3 348.491 1.386 20 0 EDADHO COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC000663492854 453810161 /nfs/dbraw/zinc/81/01/61/453810161.db2.gz CNKARZOVGYVOPY-HNNXBMFYSA-N 1 3 344.484 1.944 20 0 EDADHO CC(C)C[C@@H]([NH3+])CN1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663512954 453813390 /nfs/dbraw/zinc/81/33/90/453813390.db2.gz HXGBFEYGABJRSA-JKSUJKDBSA-N 1 3 334.512 1.372 20 0 EDADHO COc1cnccc1N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667735474 486939046 /nfs/dbraw/zinc/93/90/46/486939046.db2.gz URMTVWGMTCNBQG-UHFFFAOYSA-N 1 3 341.415 1.903 20 0 EDADHO O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCN(C2CCCC2)CC1 ZINC000667791362 486966681 /nfs/dbraw/zinc/96/66/81/486966681.db2.gz LWDZETNROLFTIW-UHFFFAOYSA-N 1 3 329.448 1.819 20 0 EDADHO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667799367 486970390 /nfs/dbraw/zinc/97/03/90/486970390.db2.gz TZRQYOALUXCHSB-UHFFFAOYSA-N 1 3 343.431 1.916 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000673866457 487139070 /nfs/dbraw/zinc/13/90/70/487139070.db2.gz CNRKVLIICFQURM-MRXNPFEDSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000673866457 487139074 /nfs/dbraw/zinc/13/90/74/487139074.db2.gz CNRKVLIICFQURM-MRXNPFEDSA-N 1 3 336.484 1.783 20 0 EDADHO OCC[C@H]1CCCN(CCOCC[N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000674232635 487219477 /nfs/dbraw/zinc/21/94/77/487219477.db2.gz HNELICSSWJCWHD-QZTJIDSGSA-N 1 3 328.497 1.192 20 0 EDADHO OCC[C@H]1CCCN(CCOCC[N@H+]2CCC[C@H](CCO)C2)C1 ZINC000674232635 487219479 /nfs/dbraw/zinc/21/94/79/487219479.db2.gz HNELICSSWJCWHD-QZTJIDSGSA-N 1 3 328.497 1.192 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000669530061 485504929 /nfs/dbraw/zinc/50/49/29/485504929.db2.gz PGVZEVQBWSOLFZ-HZPDHXFCSA-N 1 3 338.496 1.258 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000669547117 485537554 /nfs/dbraw/zinc/53/75/54/485537554.db2.gz FUKPWJKCWVIAJF-CVEARBPZSA-N 1 3 349.479 1.291 20 0 EDADHO O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669573789 485605755 /nfs/dbraw/zinc/60/57/55/485605755.db2.gz YINQGPPANHOHOM-GBESFXJTSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368620238 485742493 /nfs/dbraw/zinc/74/24/93/485742493.db2.gz XMRDJIYQRTYADE-WCXIOVBPSA-N 1 3 336.480 1.118 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184425 485785529 /nfs/dbraw/zinc/78/55/29/485785529.db2.gz ZAPATGBPVPOPGX-INIZCTEOSA-N 1 3 340.512 1.212 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669312715 485959608 /nfs/dbraw/zinc/95/96/08/485959608.db2.gz CQCLEZCSLGCHSV-MJGOQNOKSA-N 1 3 342.487 1.828 20 0 EDADHO CN1CCN(CCCNC(=O)NC/C=C\C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347612 485995532 /nfs/dbraw/zinc/99/55/32/485995532.db2.gz SDIUNGZHFDNARY-OOFWQKGWSA-N 1 3 345.491 1.179 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000669397651 486056495 /nfs/dbraw/zinc/05/64/95/486056495.db2.gz VJYDWAPASLVICO-MRXNPFEDSA-N 1 3 333.480 1.235 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)N(C)C)cc1 ZINC000669419016 486137840 /nfs/dbraw/zinc/13/78/40/486137840.db2.gz XREFKRSZOBNTQE-NXHRZFHOSA-N 1 3 330.476 1.991 20 0 EDADHO CN(CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668809923 486219126 /nfs/dbraw/zinc/21/91/26/486219126.db2.gz YBMIRNTZGCDOIV-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669508720 486291650 /nfs/dbraw/zinc/29/16/50/486291650.db2.gz KXAIUUMOMFTQKQ-MRXNPFEDSA-N 1 3 325.412 1.308 20 0 EDADHO COCCOc1ccccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000083455433 491184297 /nfs/dbraw/zinc/18/42/97/491184297.db2.gz CRQOMRWNWCLVBX-UHFFFAOYSA-N 1 3 335.492 1.829 20 0 EDADHO COCCOc1ccccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000083455433 491184299 /nfs/dbraw/zinc/18/42/99/491184299.db2.gz CRQOMRWNWCLVBX-UHFFFAOYSA-N 1 3 335.492 1.829 20 0 EDADHO C[C@@H](N)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000167348650 534286462 /nfs/dbraw/zinc/28/64/62/534286462.db2.gz JUWKKUKEWRGISK-CQSZACIVSA-N 1 3 335.448 1.140 20 0 EDADHO C[C@@H](N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000167348650 534286463 /nfs/dbraw/zinc/28/64/63/534286463.db2.gz JUWKKUKEWRGISK-CQSZACIVSA-N 1 3 335.448 1.140 20 0 EDADHO CC1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000183384455 527940329 /nfs/dbraw/zinc/94/03/29/527940329.db2.gz PIRCRSDNMYPYPW-UHFFFAOYSA-N 1 3 344.503 1.705 20 0 EDADHO COCCCN1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262707993 536547095 /nfs/dbraw/zinc/54/70/95/536547095.db2.gz DSANCOMVYFJXDB-INIZCTEOSA-N 1 3 349.479 1.038 20 0 EDADHO CC(C)[NH+]1CCN(CCCN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000345854994 535200311 /nfs/dbraw/zinc/20/03/11/535200311.db2.gz XYGVLTHPXATLLN-GUDVDZBRSA-N 1 3 339.524 1.264 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000261744753 535652715 /nfs/dbraw/zinc/65/27/15/535652715.db2.gz UBMXEXSXKGIHCX-KRWDZBQOSA-N 1 3 333.476 1.941 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262674665 535711653 /nfs/dbraw/zinc/71/16/53/535711653.db2.gz QPCBALZHECDRJI-QGZVFWFLSA-N 1 3 338.540 1.676 20 0 EDADHO CC[C@]1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CC[NH2+]C1 ZINC000119621616 535880028 /nfs/dbraw/zinc/88/00/28/535880028.db2.gz CDDBEPQCEUFTQN-IBGZPJMESA-N 1 3 349.475 1.642 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000049276566 536035733 /nfs/dbraw/zinc/03/57/33/536035733.db2.gz WIBGXSZNTVZYLN-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683933 578587372 /nfs/dbraw/zinc/58/73/72/578587372.db2.gz HBIFIGKZDGMWSK-QGZVFWFLSA-N 1 3 326.444 1.912 20 0 EDADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000733165260 578745525 /nfs/dbraw/zinc/74/55/25/578745525.db2.gz AKEVUKFOWXRXKB-MSOLQXFVSA-N 1 3 332.492 1.996 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734552945 578823057 /nfs/dbraw/zinc/82/30/57/578823057.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCCCCCN(C)CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734552945 578823058 /nfs/dbraw/zinc/82/30/58/578823058.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086488 580158611 /nfs/dbraw/zinc/15/86/11/580158611.db2.gz MAAWQSBDSKAQGE-GDBMZVCRSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000766086488 580158612 /nfs/dbraw/zinc/15/86/12/580158612.db2.gz MAAWQSBDSKAQGE-GDBMZVCRSA-N 1 3 334.468 1.393 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775372676 580389503 /nfs/dbraw/zinc/38/95/03/580389503.db2.gz GASZUYIGHSEWNY-BZUAXINKSA-N 1 3 329.579 1.983 20 0 EDADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CCc2nnnn2C)ccc1OC ZINC000775401896 580390148 /nfs/dbraw/zinc/39/01/48/580390148.db2.gz UPUSKUPZTDHFOX-CQSZACIVSA-N 1 3 346.479 1.954 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000891856582 590658157 /nfs/dbraw/zinc/65/81/57/590658157.db2.gz RZSQHOLNTAPFKY-BPQIPLTHSA-N 1 3 346.475 1.409 20 0 EDADHO CSC1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CCN(C)CC1 ZINC000891907691 590683019 /nfs/dbraw/zinc/68/30/19/590683019.db2.gz SRQLKVLSYPKNKX-XJKSGUPXSA-N 1 3 326.510 1.398 20 0 EDADHO CSC1(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CCN(C)CC1 ZINC000891907688 590683290 /nfs/dbraw/zinc/68/32/90/590683290.db2.gz SRQLKVLSYPKNKX-BBRMVZONSA-N 1 3 326.510 1.398 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891970410 590715545 /nfs/dbraw/zinc/71/55/45/590715545.db2.gz GSXNYONGLSFJEP-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO N[C@@H](CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000892031268 590759706 /nfs/dbraw/zinc/75/97/06/590759706.db2.gz UHINNTJXAKOOEX-MSOLQXFVSA-N 1 3 326.444 1.946 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892087687 590792298 /nfs/dbraw/zinc/79/22/98/590792298.db2.gz HUYHBCLMWDRXKA-CVEARBPZSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000892092437 590794611 /nfs/dbraw/zinc/79/46/11/590794611.db2.gz PNUMAZCUIQETQA-WMLDXEAASA-N 1 3 331.464 1.819 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000892092435 590794635 /nfs/dbraw/zinc/79/46/35/590794635.db2.gz PNUMAZCUIQETQA-RHSMWYFYSA-N 1 3 331.464 1.819 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)CC[C@H]21 ZINC000892119121 590809263 /nfs/dbraw/zinc/80/92/63/590809263.db2.gz MQJGOUCUTMFZNT-KBAYOESNSA-N 1 3 328.460 1.609 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3NCCc4ccccc43)CC[C@H]21 ZINC000892119121 590809265 /nfs/dbraw/zinc/80/92/65/590809265.db2.gz MQJGOUCUTMFZNT-KBAYOESNSA-N 1 3 328.460 1.609 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000892237404 590880061 /nfs/dbraw/zinc/88/00/61/590880061.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 1 3 330.476 1.725 20 0 EDADHO CN1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000892237404 590880063 /nfs/dbraw/zinc/88/00/63/590880063.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 1 3 330.476 1.725 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892240355 590881977 /nfs/dbraw/zinc/88/19/77/590881977.db2.gz KPZBYKZFAGZGPQ-HDICACEKSA-N 1 3 343.475 1.439 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266137 590899132 /nfs/dbraw/zinc/89/91/32/590899132.db2.gz BNQDNRGOWIONPY-HOCLYGCPSA-N 1 3 329.448 1.444 20 0 EDADHO COC(=O)c1sccc1CNC1CCN(CC[NH+](C)C)CC1 ZINC000892545183 591067499 /nfs/dbraw/zinc/06/74/99/591067499.db2.gz LAXWMQNESLIVKU-UHFFFAOYSA-N 1 3 325.478 1.650 20 0 EDADHO COC(=O)c1sccc1CNC1CC[NH+](CCN(C)C)CC1 ZINC000892545183 591067503 /nfs/dbraw/zinc/06/75/03/591067503.db2.gz LAXWMQNESLIVKU-UHFFFAOYSA-N 1 3 325.478 1.650 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584929 591082647 /nfs/dbraw/zinc/08/26/47/591082647.db2.gz RMPMFABOCWSGEB-NXOAAHMSSA-N 1 3 343.475 1.832 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891493669 591093652 /nfs/dbraw/zinc/09/36/52/591093652.db2.gz XSUOTATZEXBJPE-MRXNPFEDSA-N 1 3 340.512 1.565 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000891514474 591103781 /nfs/dbraw/zinc/10/37/81/591103781.db2.gz SHFJLLPLSBXXEF-IYBDPMFKSA-N 1 3 334.464 1.206 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000893873943 591125032 /nfs/dbraw/zinc/12/50/32/591125032.db2.gz DUDGFTNCEKUTML-MLHJIOFPSA-N 1 3 328.460 1.777 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000893914181 591135535 /nfs/dbraw/zinc/13/55/35/591135535.db2.gz LJNWEIJDZCFQGP-HNNXBMFYSA-N 1 3 349.479 1.306 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000893914181 591135539 /nfs/dbraw/zinc/13/55/39/591135539.db2.gz LJNWEIJDZCFQGP-HNNXBMFYSA-N 1 3 349.479 1.306 20 0 EDADHO C[C@H](NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000892735758 591154110 /nfs/dbraw/zinc/15/41/10/591154110.db2.gz PDPWOQNUPCWRQC-GOEBONIOSA-N 1 3 340.489 1.540 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891631799 591158581 /nfs/dbraw/zinc/15/85/81/591158581.db2.gz BACNPTFGYYQASN-MAUKXSAKSA-N 1 3 338.496 1.127 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)N[C@]2(C)CN3CCC2CC3)ccn1 ZINC000892760658 591165609 /nfs/dbraw/zinc/16/56/09/591165609.db2.gz WCWSSOQHTJCYCS-GOSISDBHSA-N 1 3 332.448 1.236 20 0 EDADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894199166 591224701 /nfs/dbraw/zinc/22/47/01/591224701.db2.gz VOYVCEJQSSJLRF-YLJYHZDGSA-N 1 3 341.455 1.945 20 0 EDADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccncc1CO ZINC000894199166 591224704 /nfs/dbraw/zinc/22/47/04/591224704.db2.gz VOYVCEJQSSJLRF-YLJYHZDGSA-N 1 3 341.455 1.945 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000892932299 591229647 /nfs/dbraw/zinc/22/96/47/591229647.db2.gz FIWVWGWVZGNNHX-OAHLLOKOSA-N 1 3 338.496 1.495 20 0 EDADHO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)O2 ZINC000895818646 591280562 /nfs/dbraw/zinc/28/05/62/591280562.db2.gz FEFGIUZIRSSOIB-WXSAJPJJSA-N 1 3 340.508 1.784 20 0 EDADHO Cn1cc([C@H]2C[N@H+](CC3CCN(C)CC3)CC23CCOCC3)cn1 ZINC000894708152 591393794 /nfs/dbraw/zinc/39/37/94/591393794.db2.gz TXCRRLBKRFLHKZ-GOSISDBHSA-N 1 3 332.492 1.958 20 0 EDADHO Cn1cc([C@H]2C[N@@H+](CC3CCN(C)CC3)CC23CCOCC3)cn1 ZINC000894708152 591393798 /nfs/dbraw/zinc/39/37/98/591393798.db2.gz TXCRRLBKRFLHKZ-GOSISDBHSA-N 1 3 332.492 1.958 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517537 591517694 /nfs/dbraw/zinc/51/76/94/591517694.db2.gz AZQVVCVPVHBFTE-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896987973 591705546 /nfs/dbraw/zinc/70/55/46/591705546.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896987973 591705550 /nfs/dbraw/zinc/70/55/50/591705550.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@@H]1CCN1C(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000896987973 591705555 /nfs/dbraw/zinc/70/55/55/591705555.db2.gz HKCIOJHVEWOQDU-SJORKVTESA-N 1 3 336.524 1.486 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000900009492 591865797 /nfs/dbraw/zinc/86/57/97/591865797.db2.gz JKVWUZFQROJPRN-UHFFFAOYSA-N 1 3 326.529 1.497 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000900080684 591891550 /nfs/dbraw/zinc/89/15/50/591891550.db2.gz QUJDKUDNBWDATC-UHFFFAOYSA-N 1 3 338.540 1.734 20 0 EDADHO COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1=O ZINC000902201692 591944576 /nfs/dbraw/zinc/94/45/76/591944576.db2.gz OXCOUKKSNATFEV-CQSZACIVSA-N 1 3 335.448 1.040 20 0 EDADHO COc1c[nH]c(CO)c(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1=O ZINC000902201692 591944578 /nfs/dbraw/zinc/94/45/78/591944578.db2.gz OXCOUKKSNATFEV-CQSZACIVSA-N 1 3 335.448 1.040 20 0 EDADHO C[C@@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1(N)CC1 ZINC000902360602 591986239 /nfs/dbraw/zinc/98/62/39/591986239.db2.gz HPUAURRBTWAENL-CQSZACIVSA-N 1 3 337.489 1.582 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004279 /nfs/dbraw/zinc/00/42/79/592004279.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004282 /nfs/dbraw/zinc/00/42/82/592004282.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900455999 592022736 /nfs/dbraw/zinc/02/27/36/592022736.db2.gz HIGRHEGVOLQVIC-GOSISDBHSA-N 1 3 335.448 1.412 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC000900455999 592022738 /nfs/dbraw/zinc/02/27/38/592022738.db2.gz HIGRHEGVOLQVIC-GOSISDBHSA-N 1 3 335.448 1.412 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900685466 592094033 /nfs/dbraw/zinc/09/40/33/592094033.db2.gz TYFMULRWKIJDTJ-SQNIBIBYSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900685466 592094035 /nfs/dbraw/zinc/09/40/35/592094035.db2.gz TYFMULRWKIJDTJ-SQNIBIBYSA-N 1 3 335.492 1.763 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCO[C@]12CCOC2 ZINC000903170673 592133410 /nfs/dbraw/zinc/13/34/10/592133410.db2.gz ANTVXFCZJXJRJO-ROUUACIJSA-N 1 3 335.448 1.450 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425081 592171072 /nfs/dbraw/zinc/17/10/72/592171072.db2.gz QWOSEEWVQIHDDE-GJZGRUSLSA-N 1 3 345.443 1.358 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958496 592185097 /nfs/dbraw/zinc/18/50/97/592185097.db2.gz JMRYSIWRWURZFD-MSOLQXFVSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495876 592187762 /nfs/dbraw/zinc/18/77/62/592187762.db2.gz AZGFQZIOJFZPOP-FPCVCCKLSA-N 1 3 347.459 1.248 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)Nc1ccccc1 ZINC000903508590 592189497 /nfs/dbraw/zinc/18/94/97/592189497.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 1 3 342.487 1.916 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)Nc1ccccc1 ZINC000903508590 592189498 /nfs/dbraw/zinc/18/94/98/592189498.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 1 3 342.487 1.916 20 0 EDADHO O=C(CCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)Nc1ccccc1 ZINC000903508590 592189500 /nfs/dbraw/zinc/18/95/00/592189500.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 1 3 342.487 1.916 20 0 EDADHO CC(C)(C)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509341 592189897 /nfs/dbraw/zinc/18/98/97/592189897.db2.gz FLOBXHOFBKJYML-CALCHBBNSA-N 1 3 336.524 1.439 20 0 EDADHO CC(C)(C)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509341 592189899 /nfs/dbraw/zinc/18/98/99/592189899.db2.gz FLOBXHOFBKJYML-CALCHBBNSA-N 1 3 336.524 1.439 20 0 EDADHO CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906651104 592234897 /nfs/dbraw/zinc/23/48/97/592234897.db2.gz POGHGFHXUVDTPI-HNNXBMFYSA-N 1 3 332.448 1.275 20 0 EDADHO COc1cc2c(cc1CN1CCC3(CO[C@H](C[NH3+])C3)CC1)OCO2 ZINC000904391484 592243258 /nfs/dbraw/zinc/24/32/58/592243258.db2.gz HBFJKTCYMJCXGK-AWEZNQCLSA-N 1 3 334.416 1.754 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc12 ZINC000904392457 592243395 /nfs/dbraw/zinc/24/33/95/592243395.db2.gz REESZJOZHANHRN-OAHLLOKOSA-N 1 3 329.448 1.607 20 0 EDADHO c1ccc(CN2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733241 592281868 /nfs/dbraw/zinc/28/18/68/592281868.db2.gz LIOMNSJMYSLXLC-UXHICEINSA-N 1 3 329.488 1.963 20 0 EDADHO Cc1nc(C[C@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730300 592287373 /nfs/dbraw/zinc/28/73/73/592287373.db2.gz VGSPHHKHJABEPK-HZPDHXFCSA-N 1 3 334.464 1.791 20 0 EDADHO CCN(CC)C(=O)C1(NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903733514 592296848 /nfs/dbraw/zinc/29/68/48/592296848.db2.gz MXUVVKCAGMERGM-SJLPKXTDSA-N 1 3 337.508 1.916 20 0 EDADHO Cc1ccc(N(C)C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739155 592300683 /nfs/dbraw/zinc/30/06/83/592300683.db2.gz DDESWLBGJUSAKK-IEBWSBKVSA-N 1 3 345.491 1.454 20 0 EDADHO NCc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000904649778 592303976 /nfs/dbraw/zinc/30/39/76/592303976.db2.gz WWNCZRKVOLRHJB-DLBZAZTESA-N 1 3 332.448 1.645 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903819511 592332636 /nfs/dbraw/zinc/33/26/36/592332636.db2.gz JLZAHISVTVLEDU-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903819511 592332641 /nfs/dbraw/zinc/33/26/41/592332641.db2.gz JLZAHISVTVLEDU-GOSISDBHSA-N 1 3 348.487 1.888 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000903865335 592341214 /nfs/dbraw/zinc/34/12/14/592341214.db2.gz CMZRETIGXCORAV-HKUYNNGSSA-N 1 3 330.476 1.233 20 0 EDADHO COC(=O)CC1(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000903898396 592368325 /nfs/dbraw/zinc/36/83/25/592368325.db2.gz LABTWFIAFNPFCH-CQSZACIVSA-N 1 3 335.452 1.558 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000908192271 592369152 /nfs/dbraw/zinc/36/91/52/592369152.db2.gz WAQXZPYCJVWJGH-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO O=C(c1ccc(O)cc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904212 592372237 /nfs/dbraw/zinc/37/22/37/592372237.db2.gz RKBXZZKRPPWPMA-ZXFUBFMLSA-N 1 3 329.444 1.681 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNC[C@H]1NCCc2ccccc21 ZINC000903918603 592376271 /nfs/dbraw/zinc/37/62/71/592376271.db2.gz COMYHSYKQSMECF-CRAIPNDOSA-N 1 3 326.448 1.179 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC(C)(N3CCOCC3)CC2)cnn1C ZINC000903935498 592386108 /nfs/dbraw/zinc/38/61/08/592386108.db2.gz QOWXYMCWJXTIRP-QGZVFWFLSA-N 1 3 349.523 1.033 20 0 EDADHO CN(C)CCOc1ccccc1-c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904093526 592429835 /nfs/dbraw/zinc/42/98/35/592429835.db2.gz ZSFHPTQAEFIJCL-INWMFGNUSA-N 1 3 328.416 2.000 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000908491458 592508241 /nfs/dbraw/zinc/50/82/41/592508241.db2.gz OJYNTGLYQVBDJV-IBGZPJMESA-N 1 3 337.508 1.604 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908492523 592508628 /nfs/dbraw/zinc/50/86/28/592508628.db2.gz FTYGJZVTADNBQD-UHFFFAOYSA-N 1 3 347.507 1.829 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC000905501877 592546170 /nfs/dbraw/zinc/54/61/70/592546170.db2.gz HSIGMZVYNFZELV-IEWDOMPSSA-N 1 3 336.451 1.928 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2CN)([NH+](C)C)C1 ZINC000906645910 592865898 /nfs/dbraw/zinc/86/58/98/592865898.db2.gz NBBXZAZANVLKBC-IFXJQAMLSA-N 1 3 346.475 1.711 20 0 EDADHO CCO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000911632389 592969955 /nfs/dbraw/zinc/96/99/55/592969955.db2.gz GCHFPDYRGZLORJ-RCCFBDPRSA-N 1 3 333.476 1.953 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913448 593036297 /nfs/dbraw/zinc/03/62/97/593036297.db2.gz CLLIBIXZGBSAGY-VQTJNVASSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913448 593036298 /nfs/dbraw/zinc/03/62/98/593036298.db2.gz CLLIBIXZGBSAGY-VQTJNVASSA-N 1 3 345.487 1.614 20 0 EDADHO CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167763 593676592 /nfs/dbraw/zinc/67/65/92/593676592.db2.gz VGIABAKQPZRPBW-XHSDSOJGSA-N 1 3 339.480 1.146 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000818973355 593731461 /nfs/dbraw/zinc/73/14/61/593731461.db2.gz WDUPZJLIQNPEFO-HIFRSBDPSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000818973355 593731462 /nfs/dbraw/zinc/73/14/62/593731462.db2.gz WDUPZJLIQNPEFO-HIFRSBDPSA-N 1 3 327.469 1.336 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000818973355 593731463 /nfs/dbraw/zinc/73/14/63/593731463.db2.gz WDUPZJLIQNPEFO-HIFRSBDPSA-N 1 3 327.469 1.336 20 0 EDADHO CON(C)C(=O)CC[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000819298697 593749427 /nfs/dbraw/zinc/74/94/27/593749427.db2.gz LVXSAKNWXUXCRQ-UHFFFAOYSA-N 1 3 335.448 1.659 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)ccn1 ZINC000822861231 594112844 /nfs/dbraw/zinc/11/28/44/594112844.db2.gz BLEXWSOYECNHQU-SUMWQHHRSA-N 1 3 329.404 1.539 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000822861192 594112910 /nfs/dbraw/zinc/11/29/10/594112910.db2.gz BGQRHHQAWBJNFP-KGLIPLIRSA-N 1 3 331.420 1.928 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831089167 594553734 /nfs/dbraw/zinc/55/37/34/594553734.db2.gz UPALLVLNAYZCQW-HWOWSKLDSA-N 1 3 325.522 1.995 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000829584248 594645310 /nfs/dbraw/zinc/64/53/10/594645310.db2.gz XGCPJUVORRDYOW-GOSISDBHSA-N 1 3 336.524 1.203 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC000831595339 594686241 /nfs/dbraw/zinc/68/62/41/594686241.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC000831595339 594686242 /nfs/dbraw/zinc/68/62/42/594686242.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO CCO[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CN(C)C ZINC000831745587 594698782 /nfs/dbraw/zinc/69/87/82/594698782.db2.gz TVBOTESRDIOWEK-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CCO[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CN(C)C ZINC000831745587 594698783 /nfs/dbraw/zinc/69/87/83/594698783.db2.gz TVBOTESRDIOWEK-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@H]1N(C)C ZINC000841281431 594880880 /nfs/dbraw/zinc/88/08/80/594880880.db2.gz GCBXTKHCAITXQU-CABCVRRESA-N 1 3 338.477 1.533 20 0 EDADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327206 594885407 /nfs/dbraw/zinc/88/54/07/594885407.db2.gz FBDWZYXCRFTKPG-HOTGVXAUSA-N 1 3 346.431 1.153 20 0 EDADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327206 594885410 /nfs/dbraw/zinc/88/54/10/594885410.db2.gz FBDWZYXCRFTKPG-HOTGVXAUSA-N 1 3 346.431 1.153 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898921 594977344 /nfs/dbraw/zinc/97/73/44/594977344.db2.gz QNTBRWALGZGATF-HKUYNNGSSA-N 1 3 346.475 1.186 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898921 594977346 /nfs/dbraw/zinc/97/73/46/594977346.db2.gz QNTBRWALGZGATF-HKUYNNGSSA-N 1 3 346.475 1.186 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000842229916 595046254 /nfs/dbraw/zinc/04/62/54/595046254.db2.gz UGNNLXRVUQSGBX-IAGOWNOFSA-N 1 3 346.475 1.093 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258889 595055265 /nfs/dbraw/zinc/05/52/65/595055265.db2.gz DBXVQYZSFNSGIA-XHSDSOJGSA-N 1 3 340.512 1.104 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172079 595290974 /nfs/dbraw/zinc/29/09/74/595290974.db2.gz VHISJHCLGYCOKV-MSOLQXFVSA-N 1 3 349.450 1.628 20 0 EDADHO OC[C@H](C[C@@H](O)c1ccccc1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848535521 595403511 /nfs/dbraw/zinc/40/35/11/595403511.db2.gz DEIRWUUDSZYCOU-XUVXKRRUSA-N 1 3 348.487 1.704 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065098 595476953 /nfs/dbraw/zinc/47/69/53/595476953.db2.gz OPDFKMZHBCNETF-ZBFHGGJFSA-N 1 3 349.454 1.068 20 0 EDADHO [NH2+]=C(NC[C@H]1CCCNC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000849115976 595484384 /nfs/dbraw/zinc/48/43/84/595484384.db2.gz HNTDSDBHNDGDIA-MRXNPFEDSA-N 1 3 343.475 1.291 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nccc(C(F)(F)F)n1 ZINC000849116092 595484641 /nfs/dbraw/zinc/48/46/41/595484641.db2.gz KEAWUROQPGAORK-SNVBAGLBSA-N 1 3 330.358 1.594 20 0 EDADHO CN(C)CCNC(=S)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849291842 595502686 /nfs/dbraw/zinc/50/26/86/595502686.db2.gz JJSNDONPWVFNLB-KRWDZBQOSA-N 1 3 334.533 1.671 20 0 EDADHO CN(C)CCNC(=S)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000849291842 595502687 /nfs/dbraw/zinc/50/26/87/595502687.db2.gz JJSNDONPWVFNLB-KRWDZBQOSA-N 1 3 334.533 1.671 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000852857766 595579153 /nfs/dbraw/zinc/57/91/53/595579153.db2.gz FHQBWTGRQZEJHN-DOTOQJQBSA-N 1 3 325.497 1.757 20 0 EDADHO CC(C)N1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849596636 595586359 /nfs/dbraw/zinc/58/63/59/595586359.db2.gz AWOZNVIGSNLRPD-ZWKOTPCHSA-N 1 3 347.507 1.254 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612222 595596525 /nfs/dbraw/zinc/59/65/25/595596525.db2.gz GXQHVZKTDQSJOE-XIRDDKMYSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612222 595596527 /nfs/dbraw/zinc/59/65/27/595596527.db2.gz GXQHVZKTDQSJOE-XIRDDKMYSA-N 1 3 335.496 1.300 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCO1 ZINC000856431577 595989140 /nfs/dbraw/zinc/98/91/40/595989140.db2.gz SXDTVPJZKNYAKD-MAUKXSAKSA-N 1 3 343.487 1.768 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCCNC2=O)cc1 ZINC000854231949 596009933 /nfs/dbraw/zinc/00/99/33/596009933.db2.gz PRRRBIFLVUDQRX-RRQGHBQHSA-N 1 3 332.448 1.448 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000861540763 596021037 /nfs/dbraw/zinc/02/10/37/596021037.db2.gz XXRPSYMFULMGRU-AWEZNQCLSA-N 1 3 332.448 1.417 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCCCOc2ccccc2)C1 ZINC000866709591 596304452 /nfs/dbraw/zinc/30/44/52/596304452.db2.gz LEARPUKWUVOVPN-RYQLBKOJSA-N 1 3 345.443 1.713 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000866714234 596306319 /nfs/dbraw/zinc/30/63/19/596306319.db2.gz JFJJCROFAKVODU-OKZBNKHCSA-N 1 3 327.428 1.542 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=S)NC1CCN(C)CC1 ZINC000865242783 596521612 /nfs/dbraw/zinc/52/16/12/596521612.db2.gz HAMZMSGNXUADHC-UHFFFAOYSA-N 1 3 342.553 1.245 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C[NH+](C)C ZINC000870017508 596709462 /nfs/dbraw/zinc/70/94/62/596709462.db2.gz PMRNLUHWPXTCGE-HUUCEWRRSA-N 1 3 337.439 1.272 20 0 EDADHO CCc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[O-] ZINC000870021755 596712443 /nfs/dbraw/zinc/71/24/43/596712443.db2.gz JXNKFXPVEQMMMX-HZPDHXFCSA-N 1 3 333.476 1.766 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N1CCCC1 ZINC000868224191 596734047 /nfs/dbraw/zinc/73/40/47/596734047.db2.gz DGFBAXKFEUNELT-UHOFOFEASA-N 1 3 330.432 1.040 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1C ZINC000868237800 596740218 /nfs/dbraw/zinc/74/02/18/596740218.db2.gz NDSGIIZVYVZDAK-VDNDLQMASA-N 1 3 344.459 1.381 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000874365653 597037008 /nfs/dbraw/zinc/03/70/08/597037008.db2.gz RUXLTZKAPREFGW-DLBZAZTESA-N 1 3 344.459 1.382 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000874431276 597075057 /nfs/dbraw/zinc/07/50/57/597075057.db2.gz LSBXCNPATWNTMI-ZVZYQTTQSA-N 1 3 346.475 1.869 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)N2CCCC2)c1 ZINC000874434049 597076646 /nfs/dbraw/zinc/07/66/46/597076646.db2.gz YIRMOSCZDIMCJD-UWWQBHOKSA-N 1 3 346.475 1.869 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228506 597234318 /nfs/dbraw/zinc/23/43/18/597234318.db2.gz FHASRNCRVGBSCS-UPJWGTAASA-N 1 3 337.386 1.225 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228506 597234321 /nfs/dbraw/zinc/23/43/21/597234321.db2.gz FHASRNCRVGBSCS-UPJWGTAASA-N 1 3 337.386 1.225 20 0 EDADHO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246875 597238572 /nfs/dbraw/zinc/23/85/72/597238572.db2.gz CNVUZDOYJYEQIW-LBPRGKRZSA-N 1 3 325.420 1.619 20 0 EDADHO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873246874 597238907 /nfs/dbraw/zinc/23/89/07/597238907.db2.gz CNVUZDOYJYEQIW-GFCCVEGCSA-N 1 3 325.420 1.619 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725087 597306267 /nfs/dbraw/zinc/30/62/67/597306267.db2.gz DTTWMYJJAKFHGV-IAGOWNOFSA-N 1 3 331.460 1.955 20 0 EDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725089 597306523 /nfs/dbraw/zinc/30/65/23/597306523.db2.gz DTTWMYJJAKFHGV-SJORKVTESA-N 1 3 331.460 1.955 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876876407 597365372 /nfs/dbraw/zinc/36/53/72/597365372.db2.gz DTWBUPYYHBRKJN-ZBFHGGJFSA-N 1 3 325.403 1.664 20 0 EDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000876960975 597397348 /nfs/dbraw/zinc/39/73/48/597397348.db2.gz BRFHUKURIHCFKB-SJORKVTESA-N 1 3 330.476 1.783 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC000877029066 597416082 /nfs/dbraw/zinc/41/60/82/597416082.db2.gz PORCYKZIBXKONQ-ZDUSSCGKSA-N 1 3 328.844 1.128 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000877053751 597423238 /nfs/dbraw/zinc/42/32/38/597423238.db2.gz AQGXCUYQPDOTLN-OAHLLOKOSA-N 1 3 328.403 1.823 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000877251898 597480228 /nfs/dbraw/zinc/48/02/28/597480228.db2.gz WUJSCJHRLJZIRL-JQHSSLGASA-N 1 3 334.508 1.146 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000877344189 597496666 /nfs/dbraw/zinc/49/66/66/597496666.db2.gz VRVCVELXMBGRCN-PZJWPPBQSA-N 1 3 335.451 1.748 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451221 597517399 /nfs/dbraw/zinc/51/73/99/597517399.db2.gz KQFMXDILALVGSW-LSDHHAIUSA-N 1 3 334.489 1.919 20 0 EDADHO COc1cnc(F)c(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000877525558 597530827 /nfs/dbraw/zinc/53/08/27/597530827.db2.gz HFVVJGRSRMRHQM-INIZCTEOSA-N 1 3 336.455 1.830 20 0 EDADHO COCCN(Cc1cc(C(=O)OC)n(C)c1)CC1CC[NH+](C)CC1 ZINC000877664730 597545975 /nfs/dbraw/zinc/54/59/75/597545975.db2.gz UUWLNQWSKYPVNH-UHFFFAOYSA-N 1 3 337.464 1.602 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878311711 597594685 /nfs/dbraw/zinc/59/46/85/597594685.db2.gz VMAUSIFYDXOROM-VQTJNVASSA-N 1 3 349.519 1.429 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878311711 597594686 /nfs/dbraw/zinc/59/46/86/597594686.db2.gz VMAUSIFYDXOROM-VQTJNVASSA-N 1 3 349.519 1.429 20 0 EDADHO C[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000878328019 597595767 /nfs/dbraw/zinc/59/57/67/597595767.db2.gz YHCBVCSXHWUXNF-CQSZACIVSA-N 1 3 346.479 1.072 20 0 EDADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000878426370 597600966 /nfs/dbraw/zinc/60/09/66/597600966.db2.gz ZJWOZWLLNOSIRX-TYILLQQXSA-N 1 3 331.460 1.740 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cncc4[nH]ccc43)CC2)CC1 ZINC000878553113 597632907 /nfs/dbraw/zinc/63/29/07/597632907.db2.gz MXUAXZCJVPVRPV-UHFFFAOYSA-N 1 3 341.459 1.851 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000889333299 597941981 /nfs/dbraw/zinc/94/19/81/597941981.db2.gz ZVYDYQLLOAIHJJ-SOUVJXGZSA-N 1 3 328.526 1.263 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000889333299 597941983 /nfs/dbraw/zinc/94/19/83/597941983.db2.gz ZVYDYQLLOAIHJJ-SOUVJXGZSA-N 1 3 328.526 1.263 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914183498 695261062 /nfs/dbraw/zinc/26/10/62/695261062.db2.gz XFCDXVJCHZBLQM-NVXWUHKLSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCN1CCCO ZINC000993800684 696377802 /nfs/dbraw/zinc/37/78/02/696377802.db2.gz AGFWXBCYLZACGI-VQIMIIECSA-N 1 3 347.503 1.756 20 0 EDADHO CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000940008575 700110331 /nfs/dbraw/zinc/11/03/31/700110331.db2.gz ULFRAHOEENYNCK-HNNXBMFYSA-N 1 3 348.495 1.171 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675459 697485719 /nfs/dbraw/zinc/48/57/19/697485719.db2.gz IYKNSKWVFBDSFM-HXUWFJFHSA-N 1 3 341.499 1.927 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713749 697735584 /nfs/dbraw/zinc/73/55/84/697735584.db2.gz DXRXGQRPSQAGSC-SFHVURJKSA-N 1 3 337.508 1.726 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729621 698055580 /nfs/dbraw/zinc/05/55/80/698055580.db2.gz RDBZVVXQZSSERG-SJORKVTESA-N 1 3 325.497 1.437 20 0 EDADHO CC[C@@H](CN1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1)OC ZINC001031729621 698055584 /nfs/dbraw/zinc/05/55/84/698055584.db2.gz RDBZVVXQZSSERG-SJORKVTESA-N 1 3 325.497 1.437 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939212641 699361668 /nfs/dbraw/zinc/36/16/68/699361668.db2.gz ZWJLOVHDBCRPLU-GUYCJALGSA-N 1 3 328.416 1.081 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544271 699685616 /nfs/dbraw/zinc/68/56/16/699685616.db2.gz IVOVKESQVQJSDB-TZMCWYRMSA-N 1 3 334.489 1.484 20 0 EDADHO CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)n1 ZINC000940150553 700278741 /nfs/dbraw/zinc/27/87/41/700278741.db2.gz XQKDDYDYOHXGFX-KRWDZBQOSA-N 1 3 347.507 1.714 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1)C1CC1 ZINC000940149931 700283152 /nfs/dbraw/zinc/28/31/52/700283152.db2.gz RZMVCSWTGRZYDW-OAHLLOKOSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1)N(C)C ZINC000940176597 700309189 /nfs/dbraw/zinc/30/91/89/700309189.db2.gz MVDVVCCPGYXYNO-MRXNPFEDSA-N 1 3 333.480 1.596 20 0 EDADHO CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000940179280 700313371 /nfs/dbraw/zinc/31/33/71/700313371.db2.gz SPALUYPBQNGUMK-MRXNPFEDSA-N 1 3 347.507 1.858 20 0 EDADHO Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000940329674 700509570 /nfs/dbraw/zinc/50/95/70/700509570.db2.gz WMMCXLIDSGFOIY-CQSZACIVSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1cnc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067652 700529703 /nfs/dbraw/zinc/52/97/03/700529703.db2.gz ADFUZGDWUMJMEO-RDJZCZTQSA-N 1 3 345.491 1.501 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426036 700619707 /nfs/dbraw/zinc/61/97/07/700619707.db2.gz CSLZGCMDQUCAEP-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426036 700619708 /nfs/dbraw/zinc/61/97/08/700619708.db2.gz CSLZGCMDQUCAEP-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1nocc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940620713 700781620 /nfs/dbraw/zinc/78/16/20/700781620.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1nocc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940620713 700781623 /nfs/dbraw/zinc/78/16/23/700781623.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 1 3 334.464 1.794 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941237399 701428094 /nfs/dbraw/zinc/42/80/94/701428094.db2.gz MSMPGSRTVJCSIW-SFHVURJKSA-N 1 3 347.503 1.961 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941237399 701428095 /nfs/dbraw/zinc/42/80/95/701428095.db2.gz MSMPGSRTVJCSIW-SFHVURJKSA-N 1 3 347.503 1.961 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941404678 701518955 /nfs/dbraw/zinc/51/89/55/701518955.db2.gz MXMKMMRAKOLPQH-LJQANCHMSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941404678 701518957 /nfs/dbraw/zinc/51/89/57/701518957.db2.gz MXMKMMRAKOLPQH-LJQANCHMSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1)[NH+](C)C ZINC000941444039 701535813 /nfs/dbraw/zinc/53/58/13/701535813.db2.gz BCTGDNHGHZNZMR-SFHVURJKSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000941437007 701540240 /nfs/dbraw/zinc/54/02/40/701540240.db2.gz NZHJHXCZMBFCLJ-YJBOKZPZSA-N 1 3 336.524 1.201 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995887147 702225499 /nfs/dbraw/zinc/22/54/99/702225499.db2.gz PBUSBVVRUMSLTE-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1 ZINC000995887147 702225503 /nfs/dbraw/zinc/22/55/03/702225503.db2.gz PBUSBVVRUMSLTE-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052855 702483832 /nfs/dbraw/zinc/48/38/32/702483832.db2.gz HLKXSPBSICJDSX-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000942052855 702483836 /nfs/dbraw/zinc/48/38/36/702483836.db2.gz HLKXSPBSICJDSX-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500578 702839538 /nfs/dbraw/zinc/83/95/38/702839538.db2.gz GXZKAFIALZQRGG-WBVHZDCISA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000996500578 702839540 /nfs/dbraw/zinc/83/95/40/702839540.db2.gz GXZKAFIALZQRGG-WBVHZDCISA-N 1 3 346.475 1.938 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610823 702916113 /nfs/dbraw/zinc/91/61/13/702916113.db2.gz KVLFOXMFVFBIJL-ZFWWWQNUSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncsc1CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610823 702916115 /nfs/dbraw/zinc/91/61/15/702916115.db2.gz KVLFOXMFVFBIJL-ZFWWWQNUSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996666386 702963182 /nfs/dbraw/zinc/96/31/82/702963182.db2.gz QCOPBQLHMJONPC-UHFFFAOYSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)n1 ZINC000996667055 702963796 /nfs/dbraw/zinc/96/37/96/702963796.db2.gz SCELREAZIZOLHA-UHFFFAOYSA-N 1 3 347.507 1.565 20 0 EDADHO CCn1ccnc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664755 702967155 /nfs/dbraw/zinc/96/71/55/702967155.db2.gz IQPOLIMABUWTGN-UHFFFAOYSA-N 1 3 333.480 1.468 20 0 EDADHO C[C@H](NC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1nncn1C ZINC000996996880 703260690 /nfs/dbraw/zinc/26/06/90/703260690.db2.gz BETMCEKWBZSPET-AWEZNQCLSA-N 1 3 348.495 1.189 20 0 EDADHO C[C@H](NC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1)c1nncn1C ZINC000996996880 703260691 /nfs/dbraw/zinc/26/06/91/703260691.db2.gz BETMCEKWBZSPET-AWEZNQCLSA-N 1 3 348.495 1.189 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007132 703264515 /nfs/dbraw/zinc/26/45/15/703264515.db2.gz OVIPHPLZNIQEKJ-FUHWJXTLSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997008017 703265508 /nfs/dbraw/zinc/26/55/08/703265508.db2.gz TZZUEQJPTZXXEC-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997008017 703265509 /nfs/dbraw/zinc/26/55/09/703265509.db2.gz TZZUEQJPTZXXEC-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997009334 703270028 /nfs/dbraw/zinc/27/00/28/703270028.db2.gz KMEPUAPMTJHNBG-KRWDZBQOSA-N 1 3 336.480 1.966 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC1 ZINC000997115231 703368901 /nfs/dbraw/zinc/36/89/01/703368901.db2.gz KOHOVWKPHPDYMG-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000997185973 703474964 /nfs/dbraw/zinc/47/49/64/703474964.db2.gz UIKLZYSKQACQEP-OAHLLOKOSA-N 1 3 333.480 1.151 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000997185973 703474967 /nfs/dbraw/zinc/47/49/67/703474967.db2.gz UIKLZYSKQACQEP-OAHLLOKOSA-N 1 3 333.480 1.151 20 0 EDADHO CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997301272 703544607 /nfs/dbraw/zinc/54/46/07/703544607.db2.gz DIYKFYLZQFHHKE-UHFFFAOYSA-N 1 3 347.507 1.815 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033069854 704098412 /nfs/dbraw/zinc/09/84/12/704098412.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 1 3 347.507 1.368 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033069854 704098415 /nfs/dbraw/zinc/09/84/15/704098415.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 1 3 347.507 1.368 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000997844453 704759694 /nfs/dbraw/zinc/75/96/94/704759694.db2.gz PMIOOJDIKHAVFP-SFHVURJKSA-N 1 3 349.523 1.817 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1)c1cnccn1 ZINC000997865264 704772601 /nfs/dbraw/zinc/77/26/01/704772601.db2.gz NBOUNSSFAVNPGI-CRAIPNDOSA-N 1 3 345.491 1.850 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547951 705982817 /nfs/dbraw/zinc/98/28/17/705982817.db2.gz CXOIJWNIVYNEER-NRXISQOPSA-N 1 3 336.867 1.908 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000998553355 705991028 /nfs/dbraw/zinc/99/10/28/705991028.db2.gz WMPKEUIEJPEUJY-CTWPCTMYSA-N 1 3 343.471 1.890 20 0 EDADHO C[C@@H](NC1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999344033 706855699 /nfs/dbraw/zinc/85/56/99/706855699.db2.gz SOURYYIZVGSFFT-IUDNXUCKSA-N 1 3 331.464 1.458 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349247 706861467 /nfs/dbraw/zinc/86/14/67/706861467.db2.gz RYWZQTOVQCYZRQ-HOTGVXAUSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)n[nH]1 ZINC000999349247 706861469 /nfs/dbraw/zinc/86/14/69/706861469.db2.gz RYWZQTOVQCYZRQ-HOTGVXAUSA-N 1 3 348.495 1.172 20 0 EDADHO CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cn1 ZINC000999363534 706877419 /nfs/dbraw/zinc/87/74/19/706877419.db2.gz IFBNRIIMHCCXIS-QGZVFWFLSA-N 1 3 347.507 1.510 20 0 EDADHO Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999364530 706878077 /nfs/dbraw/zinc/87/80/77/706878077.db2.gz NLVSUMGCLNVFTP-MRXNPFEDSA-N 1 3 330.476 1.955 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999404419 706913424 /nfs/dbraw/zinc/91/34/24/706913424.db2.gz WHQUAKPSWIYAHA-IUDNXUCKSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404419 706913428 /nfs/dbraw/zinc/91/34/28/706913428.db2.gz WHQUAKPSWIYAHA-IUDNXUCKSA-N 1 3 348.491 1.966 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC000999481166 706990168 /nfs/dbraw/zinc/99/01/68/706990168.db2.gz CJKQETJAYARCEG-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO Cn1ccc(CN[C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC000999617973 707137551 /nfs/dbraw/zinc/13/75/51/707137551.db2.gz FBSBYTGBQADDTH-INIZCTEOSA-N 1 3 338.415 1.462 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764392 707318758 /nfs/dbraw/zinc/31/87/58/707318758.db2.gz JQTDSUOZPHIFJI-DHADLLTHSA-N 1 3 333.476 1.230 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795216 707366884 /nfs/dbraw/zinc/36/68/84/707366884.db2.gz YLXWBYGRQCYMIB-FUHWJXTLSA-N 1 3 345.491 1.375 20 0 EDADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c(C)n1 ZINC000999832300 707463044 /nfs/dbraw/zinc/46/30/44/707463044.db2.gz CPCWKCKVWPQELA-UHFFFAOYSA-N 1 3 330.476 1.873 20 0 EDADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001033319401 707497973 /nfs/dbraw/zinc/49/79/73/707497973.db2.gz PUCKQPLMWABXHC-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354006 707609538 /nfs/dbraw/zinc/60/95/38/707609538.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 1 3 347.507 1.538 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(CCn3cccn3)C2)C1 ZINC001033354006 707609540 /nfs/dbraw/zinc/60/95/40/707609540.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 1 3 347.507 1.538 20 0 EDADHO C[C@H](NCc1cncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932351 707695390 /nfs/dbraw/zinc/69/53/90/707695390.db2.gz ZGXQSPUDBQRMEN-MAUKXSAKSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H]1Cc2cc(C[NH2+]CCCN3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC000921690967 707729955 /nfs/dbraw/zinc/72/99/55/707729955.db2.gz RNBZJQFJODEZTG-ZBFHGGJFSA-N 1 3 331.460 1.687 20 0 EDADHO CCOC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032734125 707743576 /nfs/dbraw/zinc/74/35/76/707743576.db2.gz XYJXBLRKJDADBF-YZUHTNEWSA-N 1 3 333.476 1.182 20 0 EDADHO Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001000194471 707830877 /nfs/dbraw/zinc/83/08/77/707830877.db2.gz VQGNXZSTFVEDCC-MAUKXSAKSA-N 1 3 330.476 1.812 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833829 /nfs/dbraw/zinc/83/38/29/707833829.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 1 3 329.435 1.906 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833831 /nfs/dbraw/zinc/83/38/31/707833831.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 1 3 329.435 1.906 20 0 EDADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)cc2C)C1)N(C)C ZINC001000228001 707893638 /nfs/dbraw/zinc/89/36/38/707893638.db2.gz QNIXEKNFJWZERX-IRXDYDNUSA-N 1 3 335.496 1.421 20 0 EDADHO Cc1noc(CCCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033582390 708265932 /nfs/dbraw/zinc/26/59/32/708265932.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 1 3 349.479 1.185 20 0 EDADHO Cc1noc(CCCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033582390 708265934 /nfs/dbraw/zinc/26/59/34/708265934.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 1 3 349.479 1.185 20 0 EDADHO CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427320 708982164 /nfs/dbraw/zinc/98/21/64/708982164.db2.gz WNIQSHJQGJTRLB-MOPGFXCFSA-N 1 3 349.519 1.963 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033904413 709032212 /nfs/dbraw/zinc/03/22/12/709032212.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 1 3 333.476 1.182 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033904413 709032213 /nfs/dbraw/zinc/03/22/13/709032213.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 1 3 333.476 1.182 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CCO)C1 ZINC001033951145 709131733 /nfs/dbraw/zinc/13/17/33/709131733.db2.gz BFDZWEOZSUERIQ-GOSISDBHSA-N 1 3 333.476 1.319 20 0 EDADHO C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213212 709565211 /nfs/dbraw/zinc/56/52/11/709565211.db2.gz WGKZAMUQZWQEIE-JKSUJKDBSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@H](O)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001034213212 709565215 /nfs/dbraw/zinc/56/52/15/709565215.db2.gz WGKZAMUQZWQEIE-JKSUJKDBSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)CC[N@@H+]1C ZINC001034215426 709569087 /nfs/dbraw/zinc/56/90/87/709569087.db2.gz ZIIDXSYYDRCSDS-IXDOHACOSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(CCn3cccn3)C2)CC[N@H+]1C ZINC001034215426 709569091 /nfs/dbraw/zinc/56/90/91/709569091.db2.gz ZIIDXSYYDRCSDS-IXDOHACOSA-N 1 3 333.480 1.194 20 0 EDADHO O=C(N[C@H]1CCCC[N@@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319519 709768825 /nfs/dbraw/zinc/76/88/25/709768825.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 1 3 339.455 1.180 20 0 EDADHO O=C(N[C@H]1CCCC[N@H+](CCCF)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319519 709768828 /nfs/dbraw/zinc/76/88/28/709768828.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 1 3 339.455 1.180 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648770 710325375 /nfs/dbraw/zinc/32/53/75/710325375.db2.gz NYCYGHGLCBGNRL-ULQDDVLXSA-N 1 3 346.475 1.842 20 0 EDADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628713 710458436 /nfs/dbraw/zinc/45/84/36/710458436.db2.gz VCDPYKXMZIWMTO-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003628714 710458732 /nfs/dbraw/zinc/45/87/32/710458732.db2.gz VCDPYKXMZIWMTO-IRXDYDNUSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1)N1CCCC1 ZINC001034704914 710816163 /nfs/dbraw/zinc/81/61/63/710816163.db2.gz ZWLBTIQYZPIRAD-WKILWMFISA-N 1 3 348.495 1.170 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)C1 ZINC001034733846 710914829 /nfs/dbraw/zinc/91/48/29/710914829.db2.gz DYCWBHNWDPYPKL-ULQDDVLXSA-N 1 3 347.507 1.321 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)nn1C ZINC001034734557 710916676 /nfs/dbraw/zinc/91/66/76/710916676.db2.gz RGDCCJZXDFNIIN-DJIMGWMZSA-N 1 3 347.507 1.587 20 0 EDADHO Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC001034734801 710917967 /nfs/dbraw/zinc/91/79/67/710917967.db2.gz ZHLNIJKVSKVQGV-XIRDDKMYSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)o1 ZINC001034734973 710918501 /nfs/dbraw/zinc/91/85/01/710918501.db2.gz CTZZOCWNYVFPLZ-FVQBIDKESA-N 1 3 334.464 1.984 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738823 710931736 /nfs/dbraw/zinc/93/17/36/710931736.db2.gz VQQQFOWWMIQCDH-QCEMKRCNSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034738823 710931739 /nfs/dbraw/zinc/93/17/39/710931739.db2.gz VQQQFOWWMIQCDH-QCEMKRCNSA-N 1 3 334.464 1.698 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738859 710932464 /nfs/dbraw/zinc/93/24/64/710932464.db2.gz WNRUJGBKCMWGLI-QBYUYEEZSA-N 1 3 333.480 1.135 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034738859 710932468 /nfs/dbraw/zinc/93/24/68/710932468.db2.gz WNRUJGBKCMWGLI-QBYUYEEZSA-N 1 3 333.480 1.135 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792153 711118697 /nfs/dbraw/zinc/11/86/97/711118697.db2.gz GFMZAWJDVVNYMM-MXAVVETBSA-N 1 3 334.468 1.143 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034792153 711118702 /nfs/dbraw/zinc/11/87/02/711118702.db2.gz GFMZAWJDVVNYMM-MXAVVETBSA-N 1 3 334.468 1.143 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001034954413 711420387 /nfs/dbraw/zinc/42/03/87/711420387.db2.gz PUNDYINFISQIHB-MSOLQXFVSA-N 1 3 345.491 1.740 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cnc(C)nc1 ZINC001034954413 711420392 /nfs/dbraw/zinc/42/03/92/711420392.db2.gz PUNDYINFISQIHB-MSOLQXFVSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1[nH]nc(Cl)c1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034957122 711428391 /nfs/dbraw/zinc/42/83/91/711428391.db2.gz YKQRPDXKFGTZDA-LLVKDONJSA-N 1 3 336.827 1.499 20 0 EDADHO Cc1noc(C)c1CNC[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034959513 711434428 /nfs/dbraw/zinc/43/44/28/711434428.db2.gz ZUBBQZACCXXMAU-NVXWUHKLSA-N 1 3 334.464 1.712 20 0 EDADHO Cc1cccnc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939460 711442439 /nfs/dbraw/zinc/44/24/39/711442439.db2.gz BDCPKAWWVICMIT-BRWVUGGUSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1cccnc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939460 711442443 /nfs/dbraw/zinc/44/24/43/711442443.db2.gz BDCPKAWWVICMIT-BRWVUGGUSA-N 1 3 330.476 1.811 20 0 EDADHO COCc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004146714 711557382 /nfs/dbraw/zinc/55/73/82/711557382.db2.gz ZXQQHGZUBJXXJA-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO COCc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004146714 711557383 /nfs/dbraw/zinc/55/73/83/711557383.db2.gz ZXQQHGZUBJXXJA-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623378 711922966 /nfs/dbraw/zinc/92/29/66/711922966.db2.gz JPLNERDMHHOOIA-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623378 711922967 /nfs/dbraw/zinc/92/29/67/711922967.db2.gz JPLNERDMHHOOIA-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)C1 ZINC000342975714 539768252 /nfs/dbraw/zinc/76/82/52/539768252.db2.gz JIGCXTHOQYMZPB-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN(CC)CC)C1 ZINC000342975714 539768255 /nfs/dbraw/zinc/76/82/55/539768255.db2.gz JIGCXTHOQYMZPB-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO CCOCc1nc(C)c(C(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000562639029 306304125 /nfs/dbraw/zinc/30/41/25/306304125.db2.gz UUTRZBDTIVRTSZ-UHFFFAOYSA-N 1 3 342.509 1.553 20 0 EDADHO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000352803533 539927758 /nfs/dbraw/zinc/92/77/58/539927758.db2.gz OKXZGDSRHZZEMI-AVEIZBFRSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000352803533 539927765 /nfs/dbraw/zinc/92/77/65/539927765.db2.gz OKXZGDSRHZZEMI-AVEIZBFRSA-N 1 3 325.497 1.015 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000355955548 539961489 /nfs/dbraw/zinc/96/14/89/539961489.db2.gz OBQCQYVDKGOMTL-MRXNPFEDSA-N 1 3 342.528 1.905 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@H+](CC)C3)cc2)CC1 ZINC000412848948 304040912 /nfs/dbraw/zinc/04/09/12/304040912.db2.gz SRHVHQJTMKUSBJ-QGZVFWFLSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](CC)C3)cc2)CC1 ZINC000412848948 304040914 /nfs/dbraw/zinc/04/09/14/304040914.db2.gz SRHVHQJTMKUSBJ-QGZVFWFLSA-N 1 3 330.476 1.653 20 0 EDADHO CN1CCN(CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563378163 306330674 /nfs/dbraw/zinc/33/06/74/306330674.db2.gz LOCGLFXSYNBRRK-UHFFFAOYSA-N 1 3 346.519 1.548 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121614 /nfs/dbraw/zinc/12/16/14/452121614.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 1 3 327.538 1.610 20 0 EDADHO O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090231560 138278318 /nfs/dbraw/zinc/27/83/18/138278318.db2.gz XDOYAXAPARLVOT-HUUCEWRRSA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090231560 138278319 /nfs/dbraw/zinc/27/83/19/138278319.db2.gz XDOYAXAPARLVOT-HUUCEWRRSA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090231560 138278320 /nfs/dbraw/zinc/27/83/20/138278320.db2.gz XDOYAXAPARLVOT-HUUCEWRRSA-N 1 3 327.494 1.159 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](C)CCN2CCOCC2)CC1 ZINC000092974893 138291223 /nfs/dbraw/zinc/29/12/23/138291223.db2.gz DWRZESJXDRIPQR-UHFFFAOYSA-N 1 3 346.519 1.593 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCN2CCOCC2)CC1 ZINC000092974893 138291224 /nfs/dbraw/zinc/29/12/24/138291224.db2.gz DWRZESJXDRIPQR-UHFFFAOYSA-N 1 3 346.519 1.593 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000119098622 138313472 /nfs/dbraw/zinc/31/34/72/138313472.db2.gz NCRZACSKUUKGLF-NUJGCVRESA-N 1 3 337.508 1.819 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302751 305277445 /nfs/dbraw/zinc/27/74/45/305277445.db2.gz FYNUIGHQLIUSEY-UIBIWLFHSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000447302751 305277446 /nfs/dbraw/zinc/27/74/46/305277446.db2.gz FYNUIGHQLIUSEY-UIBIWLFHSA-N 1 3 328.497 1.641 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000447302751 305277447 /nfs/dbraw/zinc/27/74/47/305277447.db2.gz FYNUIGHQLIUSEY-UIBIWLFHSA-N 1 3 328.497 1.641 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CN)c2ccccc2)[C@H](C)C1 ZINC000564089290 306355629 /nfs/dbraw/zinc/35/56/29/306355629.db2.gz GSIBREFFBZKYSN-QRQLOZEOSA-N 1 3 347.503 1.982 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H](CN)c2ccccc2)[C@H](C)C1 ZINC000564089290 306355630 /nfs/dbraw/zinc/35/56/30/306355630.db2.gz GSIBREFFBZKYSN-QRQLOZEOSA-N 1 3 347.503 1.982 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564318539 306358136 /nfs/dbraw/zinc/35/81/36/306358136.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564318539 306358137 /nfs/dbraw/zinc/35/81/37/306358137.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654637 306362369 /nfs/dbraw/zinc/36/23/69/306362369.db2.gz HNETYDVCPWZFCK-PKOBYXMFSA-N 1 3 328.460 1.506 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564937718 306370511 /nfs/dbraw/zinc/37/05/11/306370511.db2.gz MQVWPKHVARDTDE-CAOSSQGBSA-N 1 3 340.512 1.643 20 0 EDADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199754 304105894 /nfs/dbraw/zinc/10/58/94/304105894.db2.gz RGDHYMMOBRHLSS-SFHVURJKSA-N 1 3 349.523 1.294 20 0 EDADHO CC(C)N1CCO[C@H](CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702192 304129672 /nfs/dbraw/zinc/12/96/72/304129672.db2.gz UVOXDDFRVWLNED-CEXWTWQISA-N 1 3 338.540 1.101 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCSC3(CCCCC3)C2)C1 ZINC000414702136 304129831 /nfs/dbraw/zinc/12/98/31/304129831.db2.gz HWXIMWBSXJOCEC-HNNXBMFYSA-N 1 3 325.522 1.935 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000414702136 304129832 /nfs/dbraw/zinc/12/98/32/304129832.db2.gz HWXIMWBSXJOCEC-HNNXBMFYSA-N 1 3 325.522 1.935 20 0 EDADHO Cc1ccnc(OC2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000414704274 304130497 /nfs/dbraw/zinc/13/04/97/304130497.db2.gz DIMZBQWEWHCJGO-INIZCTEOSA-N 1 3 346.475 1.431 20 0 EDADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCC2 ZINC000414717138 304132336 /nfs/dbraw/zinc/13/23/36/304132336.db2.gz XUDHEMMZKDAXDR-GVDBMIGSSA-N 1 3 337.508 1.853 20 0 EDADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)C12CCCC2 ZINC000414717138 304132337 /nfs/dbraw/zinc/13/23/37/304132337.db2.gz XUDHEMMZKDAXDR-GVDBMIGSSA-N 1 3 337.508 1.853 20 0 EDADHO C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414741361 304135793 /nfs/dbraw/zinc/13/57/93/304135793.db2.gz KSAUSJTUBVRSDF-SFHVURJKSA-N 1 3 333.476 1.722 20 0 EDADHO C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414741361 304135795 /nfs/dbraw/zinc/13/57/95/304135795.db2.gz KSAUSJTUBVRSDF-SFHVURJKSA-N 1 3 333.476 1.722 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000414746115 304136341 /nfs/dbraw/zinc/13/63/41/304136341.db2.gz QEEHNVVLSJFWQB-ZIAGYGMSSA-N 1 3 337.414 1.951 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000414746115 304136342 /nfs/dbraw/zinc/13/63/42/304136342.db2.gz QEEHNVVLSJFWQB-ZIAGYGMSSA-N 1 3 337.414 1.951 20 0 EDADHO CCCN1CCN(c2ccccc2CNC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415041700 304153701 /nfs/dbraw/zinc/15/37/01/304153701.db2.gz PSEMISZSYNPEIA-LJQANCHMSA-N 1 3 346.519 1.687 20 0 EDADHO CN(c1ccccc1CN1CCCO[C@H](C[NH3+])C1)C1CCN(C)CC1 ZINC000415115681 304160862 /nfs/dbraw/zinc/16/08/62/304160862.db2.gz XBPRSVYAWXMWPA-LJQANCHMSA-N 1 3 346.519 1.767 20 0 EDADHO CCCNC(=O)C1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000415116599 304161397 /nfs/dbraw/zinc/16/13/97/304161397.db2.gz UXNRSIRUVUPMNT-HNNXBMFYSA-N 1 3 338.496 1.002 20 0 EDADHO CCc1nn(C)c(CC)c1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142022 304163869 /nfs/dbraw/zinc/16/38/69/304163869.db2.gz QKWWZEINULDNLP-QAPCUYQASA-N 1 3 332.492 1.745 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415144588 304164301 /nfs/dbraw/zinc/16/43/01/304164301.db2.gz CHEPHENGEYZGDJ-SJORKVTESA-N 1 3 342.443 1.314 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415144588 304164303 /nfs/dbraw/zinc/16/43/03/304164303.db2.gz CHEPHENGEYZGDJ-SJORKVTESA-N 1 3 342.443 1.314 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1)[C@H]1CCCN(C)C1 ZINC000237187318 139043415 /nfs/dbraw/zinc/04/34/15/139043415.db2.gz YXZVIYYCQUQVGV-WBVHZDCISA-N 1 3 344.459 1.401 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237486310 139052416 /nfs/dbraw/zinc/05/24/16/139052416.db2.gz NHRGUJZEGNRJRN-GOSISDBHSA-N 1 3 331.460 1.948 20 0 EDADHO O=C(C[C@@H]1CSCCN1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000238051012 139067718 /nfs/dbraw/zinc/06/77/18/139067718.db2.gz MPAHRMZGOWVJNA-OAHLLOKOSA-N 1 3 341.521 1.233 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864807 220213960 /nfs/dbraw/zinc/21/39/60/220213960.db2.gz XHOCWNZRGAZPNU-KRWDZBQOSA-N 1 3 340.512 1.709 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)C1 ZINC000415245491 304178121 /nfs/dbraw/zinc/17/81/21/304178121.db2.gz PBHRQTCRJAEGFC-GOSISDBHSA-N 1 3 330.432 1.028 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1CN(C)C ZINC000415278425 304183952 /nfs/dbraw/zinc/18/39/52/304183952.db2.gz HLXROKBDJOHFNR-UHFFFAOYSA-N 1 3 346.475 1.773 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)s1 ZINC000246501988 139111064 /nfs/dbraw/zinc/11/10/64/139111064.db2.gz SPKCGVHEKPPAIU-YRGRVCCFSA-N 1 3 345.534 1.653 20 0 EDADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248026793 139157303 /nfs/dbraw/zinc/15/73/03/139157303.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248026793 139157304 /nfs/dbraw/zinc/15/73/04/139157304.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248026793 139157305 /nfs/dbraw/zinc/15/73/05/139157305.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000248026793 139157306 /nfs/dbraw/zinc/15/73/06/139157306.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 1 3 348.487 1.989 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000248399228 139162169 /nfs/dbraw/zinc/16/21/69/139162169.db2.gz OODJLGCARGKICW-RTBURBONSA-N 1 3 344.503 1.576 20 0 EDADHO CNC(=O)NC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821005 218171518 /nfs/dbraw/zinc/17/15/18/218171518.db2.gz BVEDAVRFFMCDRS-UHFFFAOYSA-N 1 3 347.463 1.466 20 0 EDADHO CNC(=O)NC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821005 218171521 /nfs/dbraw/zinc/17/15/21/218171521.db2.gz BVEDAVRFFMCDRS-UHFFFAOYSA-N 1 3 347.463 1.466 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000423358466 284754393 /nfs/dbraw/zinc/75/43/93/284754393.db2.gz UFPLYHJYCKWVDE-ZWKOTPCHSA-N 1 3 345.491 1.898 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764124 139224041 /nfs/dbraw/zinc/22/40/41/139224041.db2.gz LXUHTKNLFJPLQV-AYOQOUSVSA-N 1 3 345.487 1.910 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000261764124 139224042 /nfs/dbraw/zinc/22/40/42/139224042.db2.gz LXUHTKNLFJPLQV-AYOQOUSVSA-N 1 3 345.487 1.910 20 0 EDADHO Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)n(C2CCN(C)CC2)n1 ZINC000261956674 139239881 /nfs/dbraw/zinc/23/98/81/139239881.db2.gz QXEOJBHPZZFXPQ-HNNXBMFYSA-N 1 3 331.464 1.786 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262220348 139261080 /nfs/dbraw/zinc/26/10/80/139261080.db2.gz JLOIPVHOTHECEK-ZACQAIPSSA-N 1 3 333.480 1.104 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000416791529 251110417 /nfs/dbraw/zinc/11/04/17/251110417.db2.gz JTZINBQVOGMREX-GOSISDBHSA-N 1 3 346.475 1.410 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417015916 251133379 /nfs/dbraw/zinc/13/33/79/251133379.db2.gz NGXYRZNYTYJOAC-CAOSSQGBSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000417015101 251133428 /nfs/dbraw/zinc/13/34/28/251133428.db2.gz DZNKUVKVPLUFNB-MAUKXSAKSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417019375 251134690 /nfs/dbraw/zinc/13/46/90/251134690.db2.gz IRDFDKTWNZJTSK-MOPGFXCFSA-N 1 3 342.487 1.971 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417019364 251134913 /nfs/dbraw/zinc/13/49/13/251134913.db2.gz IOSUILURODPEKN-MRXNPFEDSA-N 1 3 330.476 1.686 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000262338703 139271465 /nfs/dbraw/zinc/27/14/65/139271465.db2.gz HRNRGFUPPUEFGU-JKSUJKDBSA-N 1 3 345.487 1.858 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417626238 251208253 /nfs/dbraw/zinc/20/82/53/251208253.db2.gz NWEIGGPVKGUNAW-AWEZNQCLSA-N 1 3 328.526 1.632 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753076 251256871 /nfs/dbraw/zinc/25/68/71/251256871.db2.gz NXFZEMCVYNMXKI-IRXDYDNUSA-N 1 3 341.544 1.275 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417808370 251279236 /nfs/dbraw/zinc/27/92/36/251279236.db2.gz LJBJMJQKCNJIDL-GOSISDBHSA-N 1 3 340.512 1.565 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000417857404 251300708 /nfs/dbraw/zinc/30/07/08/251300708.db2.gz XVLYKJPXJJCFQX-MRXNPFEDSA-N 1 3 326.485 1.032 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000417857403 251301111 /nfs/dbraw/zinc/30/11/11/251301111.db2.gz XVLYKJPXJJCFQX-INIZCTEOSA-N 1 3 326.485 1.032 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000418146639 251342853 /nfs/dbraw/zinc/34/28/53/251342853.db2.gz PNZQDRQRQCWGMF-GOSISDBHSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418193014 251352643 /nfs/dbraw/zinc/35/26/43/251352643.db2.gz MXKCKXOFTSCJIT-GDBMZVCRSA-N 1 3 349.479 1.339 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccncc1OCCN(C)C ZINC000418196684 251354867 /nfs/dbraw/zinc/35/48/67/251354867.db2.gz RTHJKQWEGSYAIQ-UHFFFAOYSA-N 1 3 337.468 1.339 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418319277 251360709 /nfs/dbraw/zinc/36/07/09/251360709.db2.gz OQQDNBWQBJFMDW-HNNXBMFYSA-N 1 3 334.464 1.885 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418708798 251391852 /nfs/dbraw/zinc/39/18/52/251391852.db2.gz JKGSHTFLQUAAIB-GFCCVEGCSA-N 1 3 334.436 1.804 20 0 EDADHO CCC[C@@H](N)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680755 139295933 /nfs/dbraw/zinc/29/59/33/139295933.db2.gz WUMHPRKNSFBRJM-MRXNPFEDSA-N 1 3 334.464 1.824 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CC[C@@H](C)[NH3+])cc2)CC1 ZINC000262819698 139305935 /nfs/dbraw/zinc/30/59/35/139305935.db2.gz PLAASCYJWQDUPM-MRXNPFEDSA-N 1 3 332.492 1.568 20 0 EDADHO C[C@]1(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)NC(=O)[N-]C1=O ZINC000422874762 252007940 /nfs/dbraw/zinc/00/79/40/252007940.db2.gz BALBZUITQDLIDA-GUUHALQZSA-N 1 3 330.432 1.348 20 0 EDADHO CCN1CCN(Cc2ccc(CN[C@@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888655 252011738 /nfs/dbraw/zinc/01/17/38/252011738.db2.gz DMSJMTMQIFITPT-PXNSSMCTSA-N 1 3 330.520 1.912 20 0 EDADHO CCN1CCN(Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422890251 252013821 /nfs/dbraw/zinc/01/38/21/252013821.db2.gz HZBDOSIGGRXRAL-YLJYHZDGSA-N 1 3 330.520 1.912 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423737383 252067842 /nfs/dbraw/zinc/06/78/42/252067842.db2.gz ANVNDQDZAIKJJR-UHFFFAOYSA-N 1 3 336.484 1.211 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)COC1CC[NH2+]CC1 ZINC000423778294 252070592 /nfs/dbraw/zinc/07/05/92/252070592.db2.gz SQELYFBUGIEJPE-UHFFFAOYSA-N 1 3 325.478 1.407 20 0 EDADHO CCOC(=O)C1([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990774 252021395 /nfs/dbraw/zinc/02/13/95/252021395.db2.gz NYRVRERDLCFERP-CJNGLKHVSA-N 1 3 338.423 1.770 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000423995706 252111080 /nfs/dbraw/zinc/11/10/80/252111080.db2.gz FFTDBQTZZYGHHO-IAGOWNOFSA-N 1 3 348.495 1.411 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000423791193 252076376 /nfs/dbraw/zinc/07/63/76/252076376.db2.gz HCYJEZCMFVDBGX-OTWHNJEPSA-N 1 3 344.503 1.996 20 0 EDADHO Cn1cc([C@@H]2CN(C(=O)C(C)(C)[C@@H](N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424227811 252171838 /nfs/dbraw/zinc/17/18/38/252171838.db2.gz RJJJAISTYHWQBS-BBWFWOEESA-N 1 3 341.459 1.399 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000424439981 252231882 /nfs/dbraw/zinc/23/18/82/252231882.db2.gz PNVBSQHDIYBUIE-LSDHHAIUSA-N 1 3 346.475 1.771 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263213537 139328752 /nfs/dbraw/zinc/32/87/52/139328752.db2.gz KMZNTDPBKIGAIF-QAPCUYQASA-N 1 3 325.497 1.900 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCSC1 ZINC000489494928 255068623 /nfs/dbraw/zinc/06/86/23/255068623.db2.gz IEDDIFGJCFGNJY-SQWLQELKSA-N 1 3 328.526 1.596 20 0 EDADHO CC1CCN(CCC[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496074013 255349420 /nfs/dbraw/zinc/34/94/20/255349420.db2.gz XPBHQBUBKIQZPJ-INIZCTEOSA-N 1 3 343.512 1.926 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049474 285279351 /nfs/dbraw/zinc/27/93/51/285279351.db2.gz WDADPNREBYUBAA-HNNXBMFYSA-N 1 3 334.468 1.665 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049474 285279354 /nfs/dbraw/zinc/27/93/54/285279354.db2.gz WDADPNREBYUBAA-HNNXBMFYSA-N 1 3 334.468 1.665 20 0 EDADHO C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCCC1 ZINC000173812331 533246710 /nfs/dbraw/zinc/24/67/10/533246710.db2.gz IZFYNYMAGBJKPV-IRXDYDNUSA-N 1 3 337.508 1.868 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCCN1CCCO ZINC000415934966 304286466 /nfs/dbraw/zinc/28/64/66/304286466.db2.gz SYFMIBVOMCLRIK-MRXNPFEDSA-N 1 3 334.464 1.764 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000572103017 306581218 /nfs/dbraw/zinc/58/12/18/306581218.db2.gz LPMUPANVMLOJSJ-SFHVURJKSA-N 1 3 346.475 1.247 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000333471212 141322664 /nfs/dbraw/zinc/32/26/64/141322664.db2.gz ASXPRBMMAVBGKX-GDBMZVCRSA-N 1 3 329.510 1.312 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000333487186 141325376 /nfs/dbraw/zinc/32/53/76/141325376.db2.gz CAWAKJGGRGLXEM-ADHGMGHFSA-N 1 3 328.460 1.811 20 0 EDADHO C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647995 141350238 /nfs/dbraw/zinc/35/02/38/141350238.db2.gz JILSMNFAMZSJTD-GJZGRUSLSA-N 1 3 329.452 1.025 20 0 EDADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000345986213 143154284 /nfs/dbraw/zinc/15/42/84/143154284.db2.gz BMMOVFRANQGLFJ-KEYYUXOJSA-N 1 3 345.443 1.011 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC3CC3)CC2)N(C)C1 ZINC000346632412 143224213 /nfs/dbraw/zinc/22/42/13/143224213.db2.gz KPDXYUGGOXVJQL-DLBZAZTESA-N 1 3 338.496 1.221 20 0 EDADHO COC(=O)CCn1nc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000346814130 143248251 /nfs/dbraw/zinc/24/82/51/143248251.db2.gz BQLSELQXPJLYSQ-BHYGNILZSA-N 1 3 334.464 1.622 20 0 EDADHO COC(=O)CCn1nc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000346814132 143248254 /nfs/dbraw/zinc/24/82/54/143248254.db2.gz BQLSELQXPJLYSQ-USXIJHARSA-N 1 3 334.464 1.622 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)N(C)C1 ZINC000347479901 143326918 /nfs/dbraw/zinc/32/69/18/143326918.db2.gz NILJTFFEXMNHAN-SLUKUZTOSA-N 1 3 338.496 1.362 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)N(C)C1 ZINC000347479901 143326919 /nfs/dbraw/zinc/32/69/19/143326919.db2.gz NILJTFFEXMNHAN-SLUKUZTOSA-N 1 3 338.496 1.362 20 0 EDADHO CC[C@@H](C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)N(C)C ZINC000347485894 143327534 /nfs/dbraw/zinc/32/75/34/143327534.db2.gz PPNHMYUFIJTWFQ-KRWDZBQOSA-N 1 3 327.513 1.924 20 0 EDADHO CC[C@@H](C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)N(C)C ZINC000347485894 143327535 /nfs/dbraw/zinc/32/75/35/143327535.db2.gz PPNHMYUFIJTWFQ-KRWDZBQOSA-N 1 3 327.513 1.924 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])N2CCCC2)c1 ZINC000416857149 304352038 /nfs/dbraw/zinc/35/20/38/304352038.db2.gz RRQOAYYHEKPGEU-VBQJREDUSA-N 1 3 334.464 1.867 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000416857145 304352060 /nfs/dbraw/zinc/35/20/60/304352060.db2.gz RRQOAYYHEKPGEU-CPUCHLNUSA-N 1 3 334.464 1.867 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000353027662 149259317 /nfs/dbraw/zinc/25/93/17/149259317.db2.gz JIJSPEYJDDSIAS-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000353027662 149259319 /nfs/dbraw/zinc/25/93/19/149259319.db2.gz JIJSPEYJDDSIAS-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000353163081 149308068 /nfs/dbraw/zinc/30/80/68/149308068.db2.gz QZGXDINMSTUFFJ-AWEZNQCLSA-N 1 3 326.485 1.004 20 0 EDADHO O=C(NCCCNCc1cccnc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353227992 149331498 /nfs/dbraw/zinc/33/14/98/149331498.db2.gz UTHPZDYKQQGRQR-UHFFFAOYSA-N 1 3 338.455 1.680 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000416965683 304356611 /nfs/dbraw/zinc/35/66/11/304356611.db2.gz DKGUSEXEPYTGRW-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO COC(=O)C(C)(C)CCNCC(=O)NCC[NH+]1CCCCCC1 ZINC000353671993 149484560 /nfs/dbraw/zinc/48/45/60/149484560.db2.gz PPGLGQRBRRUZLG-UHFFFAOYSA-N 1 3 327.469 1.158 20 0 EDADHO C[NH2+]CC1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000416967357 304356810 /nfs/dbraw/zinc/35/68/10/304356810.db2.gz GWFQJNISOZRLST-UHFFFAOYSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@H]1C[NH3+] ZINC000416971690 304357810 /nfs/dbraw/zinc/35/78/10/304357810.db2.gz DPBGDBFQTNDGFO-DOTOQJQBSA-N 1 3 348.491 1.753 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000416969367 304357463 /nfs/dbraw/zinc/35/74/63/304357463.db2.gz BRJCQWJNCVERBD-SFHVURJKSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000355101818 150117200 /nfs/dbraw/zinc/11/72/00/150117200.db2.gz ISINOOHHAZTCJR-CVEARBPZSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000355452933 150274415 /nfs/dbraw/zinc/27/44/15/150274415.db2.gz TUZQUHRDPKZNNJ-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000358059238 151251881 /nfs/dbraw/zinc/25/18/81/151251881.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000358059238 151251883 /nfs/dbraw/zinc/25/18/83/151251883.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO CN1CC[C@@](O)(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000358260691 151319851 /nfs/dbraw/zinc/31/98/51/151319851.db2.gz VPYUMNZJXFBLNY-LJQANCHMSA-N 1 3 335.467 1.489 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000358281945 151325634 /nfs/dbraw/zinc/32/56/34/151325634.db2.gz WWYIKYBJXMZLQZ-AWEZNQCLSA-N 1 3 334.464 1.906 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849434 151518355 /nfs/dbraw/zinc/51/83/55/151518355.db2.gz CMWKPSOQPYZMGP-HOCLYGCPSA-N 1 3 331.460 1.970 20 0 EDADHO COc1ccc(F)cc1C[NH2+]CCCCN1CCN(CCO)CC1 ZINC000360982690 152270270 /nfs/dbraw/zinc/27/02/70/152270270.db2.gz KMQCPDXHHHXUDO-UHFFFAOYSA-N 1 3 339.455 1.314 20 0 EDADHO C[C@@H](NC(=O)NCCCCN1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417148587 304377919 /nfs/dbraw/zinc/37/79/19/304377919.db2.gz HCVVAIPQIWVFHH-DLBZAZTESA-N 1 3 347.507 1.624 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000574056484 306642157 /nfs/dbraw/zinc/64/21/57/306642157.db2.gz NRGACBWJVLDGQM-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO C[NH2+]CC1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)CC1 ZINC000417176111 304380226 /nfs/dbraw/zinc/38/02/26/304380226.db2.gz BVJCIUOELPMZOT-GOSISDBHSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364061493 153136058 /nfs/dbraw/zinc/13/60/58/153136058.db2.gz PIBZSKQLPAZVOY-MRXNPFEDSA-N 1 3 331.460 1.937 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000364061493 153136060 /nfs/dbraw/zinc/13/60/60/153136060.db2.gz PIBZSKQLPAZVOY-MRXNPFEDSA-N 1 3 331.460 1.937 20 0 EDADHO CCN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206948 /nfs/dbraw/zinc/20/69/48/153206948.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CCN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206950 /nfs/dbraw/zinc/20/69/50/153206950.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366377082 153797932 /nfs/dbraw/zinc/79/79/32/153797932.db2.gz IDQWFUNSNOYRLA-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO CC1CCC(N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)CC1 ZINC000367182820 154032672 /nfs/dbraw/zinc/03/26/72/154032672.db2.gz DSKFZZXXEXBMJE-DAWZGUTISA-N 1 3 334.508 1.099 20 0 EDADHO CC1CCC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000367182820 154032675 /nfs/dbraw/zinc/03/26/75/154032675.db2.gz DSKFZZXXEXBMJE-DAWZGUTISA-N 1 3 334.508 1.099 20 0 EDADHO CC1CCC(N2CCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)CC1 ZINC000367182820 154032678 /nfs/dbraw/zinc/03/26/78/154032678.db2.gz DSKFZZXXEXBMJE-DAWZGUTISA-N 1 3 334.508 1.099 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000367202597 154040839 /nfs/dbraw/zinc/04/08/39/154040839.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 1 3 330.476 1.144 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CN3CCN2CCC3)c1 ZINC000367202597 154040843 /nfs/dbraw/zinc/04/08/43/154040843.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 1 3 330.476 1.144 20 0 EDADHO C[N@H+](C[C@H]1CC12CC[NH+](CCCOC([O-])=NC(N)=O)CC2)C1CC1 ZINC000367397105 154105313 /nfs/dbraw/zinc/10/53/13/154105313.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 1 3 338.452 1.378 20 0 EDADHO C[N@@H+](C[C@H]1CC12CC[NH+](CCCOC([O-])=NC(N)=O)CC2)C1CC1 ZINC000367397105 154105316 /nfs/dbraw/zinc/10/53/16/154105316.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 1 3 338.452 1.378 20 0 EDADHO C[N@H+](C[C@H]1CC12CC[NH+](CCCOC(=O)N=C(N)[O-])CC2)C1CC1 ZINC000367397105 154105319 /nfs/dbraw/zinc/10/53/19/154105319.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 1 3 338.452 1.378 20 0 EDADHO C[N@@H+](C[C@H]1CC12CC[NH+](CCCOC(=O)N=C(N)[O-])CC2)C1CC1 ZINC000367397105 154105325 /nfs/dbraw/zinc/10/53/25/154105325.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 1 3 338.452 1.378 20 0 EDADHO COCCCNC(=O)[C@H](C)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367904144 154318657 /nfs/dbraw/zinc/31/86/57/154318657.db2.gz NJKHICSNRXDKKD-INIZCTEOSA-N 1 3 348.491 1.771 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN(Cc2cccs2)C1)C1CC1 ZINC000417358320 304394915 /nfs/dbraw/zinc/39/49/15/304394915.db2.gz FIYCHQFAVVYERQ-CJNGLKHVSA-N 1 3 336.505 1.997 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395572 155012292 /nfs/dbraw/zinc/01/22/92/155012292.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCN(C)C1CC1 ZINC000369395572 155012294 /nfs/dbraw/zinc/01/22/94/155012294.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 1 3 338.496 1.269 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000369435613 155031573 /nfs/dbraw/zinc/03/15/73/155031573.db2.gz SQDVSARSFYSCTA-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000377539812 157946162 /nfs/dbraw/zinc/94/61/62/157946162.db2.gz FYFKXYMYEIVBOJ-CVEARBPZSA-N 1 3 333.432 1.048 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000352208719 162052408 /nfs/dbraw/zinc/05/24/08/162052408.db2.gz SFKDTKJNTABUIF-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418212813 304464899 /nfs/dbraw/zinc/46/48/99/304464899.db2.gz VBBJQAYJEVRLED-DOTOQJQBSA-N 1 3 334.464 1.738 20 0 EDADHO Cc1nc(C)c(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000077824834 287290913 /nfs/dbraw/zinc/29/09/13/287290913.db2.gz WOYDXFOFHYOMAD-UHFFFAOYSA-N 1 3 341.525 1.437 20 0 EDADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCNS(C)(=O)=O)CC2)C1 ZINC000121205482 221785399 /nfs/dbraw/zinc/78/53/99/221785399.db2.gz PIVWETUNDPEODI-HOCLYGCPSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205482 221785400 /nfs/dbraw/zinc/78/54/00/221785400.db2.gz PIVWETUNDPEODI-HOCLYGCPSA-N 1 3 331.526 1.558 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000237186740 267925712 /nfs/dbraw/zinc/92/57/12/267925712.db2.gz QJLYYYCJYSZFTO-MRXNPFEDSA-N 1 3 335.448 1.012 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnccn1 ZINC000279667786 273315958 /nfs/dbraw/zinc/31/59/58/273315958.db2.gz HGAOTIOTHOPYRL-KRWDZBQOSA-N 1 3 333.480 1.284 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnccn1 ZINC000279667786 273315959 /nfs/dbraw/zinc/31/59/59/273315959.db2.gz HGAOTIOTHOPYRL-KRWDZBQOSA-N 1 3 333.480 1.284 20 0 EDADHO CC1CCC(N2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655917400 452678888 /nfs/dbraw/zinc/67/88/88/452678888.db2.gz QRXJMAGPDYEDGE-WXRRBKDZSA-N 1 3 336.402 1.782 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568287 276161665 /nfs/dbraw/zinc/16/16/65/276161665.db2.gz GPJRUDVVYMJPJJ-FRQCXROJSA-N 1 3 329.444 1.803 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000416995221 276196916 /nfs/dbraw/zinc/19/69/16/276196916.db2.gz SQWUEQSYXBQXBG-HZPDHXFCSA-N 1 3 347.507 1.359 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659864299 452745068 /nfs/dbraw/zinc/74/50/68/452745068.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 1 3 327.513 1.704 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000659864299 452745073 /nfs/dbraw/zinc/74/50/73/452745073.db2.gz YQEVLJSGHJFPHX-ULQDDVLXSA-N 1 3 327.513 1.704 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107844935 277212382 /nfs/dbraw/zinc/21/23/82/277212382.db2.gz FDSRCKDKSZFDCW-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548781 277720179 /nfs/dbraw/zinc/72/01/79/277720179.db2.gz CNKWALJTCBDABX-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1CNC1 ZINC000422864344 278345721 /nfs/dbraw/zinc/34/57/21/278345721.db2.gz UUNBTOWRJHUVBQ-LLVKDONJSA-N 1 3 340.265 1.767 20 0 EDADHO C[C@@H](NCCCNC(=O)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422864344 278345722 /nfs/dbraw/zinc/34/57/22/278345722.db2.gz UUNBTOWRJHUVBQ-LLVKDONJSA-N 1 3 340.265 1.767 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000420129455 278723037 /nfs/dbraw/zinc/72/30/37/278723037.db2.gz UZIACDOAJQTHQS-JKSUJKDBSA-N 1 3 338.496 1.097 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)N2CCCC2)cc1 ZINC000261680587 278844258 /nfs/dbraw/zinc/84/42/58/278844258.db2.gz GVVYTMOMDNGOHP-KURKYZTESA-N 1 3 331.460 1.754 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340167 279302649 /nfs/dbraw/zinc/30/26/49/279302649.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340167 279302651 /nfs/dbraw/zinc/30/26/51/279302651.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 1 3 347.507 1.320 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000363704426 279680753 /nfs/dbraw/zinc/68/07/53/279680753.db2.gz ULESSGKUXDQIDT-MWTISTBLSA-N 1 3 331.435 2.000 20 0 EDADHO CN(C)CCOc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422824985 289172652 /nfs/dbraw/zinc/17/26/52/289172652.db2.gz OUIFWBHKETXGAJ-GUDVDZBRSA-N 1 3 347.503 1.874 20 0 EDADHO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CCN(C2CC2)C1 ZINC000360748587 289341602 /nfs/dbraw/zinc/34/16/02/289341602.db2.gz XBJQJAFMEFPMBA-GDBMZVCRSA-N 1 3 326.510 1.302 20 0 EDADHO C[C@H](CN1CCN(C)CC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860205 289604678 /nfs/dbraw/zinc/60/46/78/289604678.db2.gz MAUOMMOJEUJRFQ-POAQFYNOSA-N 1 3 344.503 1.468 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000333407566 290274851 /nfs/dbraw/zinc/27/48/51/290274851.db2.gz QWEFSMRVZVDZRR-OWCLPIDISA-N 1 3 345.491 1.999 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000333379194 290275072 /nfs/dbraw/zinc/27/50/72/290275072.db2.gz NKAARJLQLJCVEV-ARFHVFGLSA-N 1 3 345.491 1.999 20 0 EDADHO COc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])OC)N2CCCC2)cc1 ZINC000262819066 295241442 /nfs/dbraw/zinc/24/14/42/295241442.db2.gz GQIHKMIFLTUTHO-IRXDYDNUSA-N 1 3 335.448 1.312 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356217854 297357553 /nfs/dbraw/zinc/35/75/53/297357553.db2.gz DMILTYLKGKGVEK-CALCHBBNSA-N 1 3 347.507 1.973 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCNc2ccncc2)C1 ZINC000356217854 297357555 /nfs/dbraw/zinc/35/75/55/297357555.db2.gz DMILTYLKGKGVEK-CALCHBBNSA-N 1 3 347.507 1.973 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000419637497 447310993 /nfs/dbraw/zinc/31/09/93/447310993.db2.gz AMPSPAFWKYLXKX-CYBMUJFWSA-N 1 3 334.464 1.086 20 0 EDADHO CC(C)c1nn(-c2ccccc2)cc1CNCCN1CC[NH2+]CC1 ZINC000414863350 447333213 /nfs/dbraw/zinc/33/32/13/447333213.db2.gz ILVHZJFRHKCOLS-UHFFFAOYSA-N 1 3 327.476 1.991 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000414875785 447339137 /nfs/dbraw/zinc/33/91/37/447339137.db2.gz JSLIQVVFGDEXTL-UHFFFAOYSA-N 1 3 332.448 1.117 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000414875785 447339145 /nfs/dbraw/zinc/33/91/45/447339145.db2.gz JSLIQVVFGDEXTL-UHFFFAOYSA-N 1 3 332.448 1.117 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H](C)C(=O)N2CCCCC2)CC[NH2+]CC1 ZINC000422961563 304881093 /nfs/dbraw/zinc/88/10/93/304881093.db2.gz ZFWASDHUFZYZIG-GJZGRUSLSA-N 1 3 339.480 1.298 20 0 EDADHO CN(CCN[C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102536 304886263 /nfs/dbraw/zinc/88/62/63/304886263.db2.gz WYSXVKYNCDDJPJ-CZUORRHYSA-N 1 3 343.468 1.553 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000424454876 304930157 /nfs/dbraw/zinc/93/01/57/304930157.db2.gz MNQKZHIPDVTRNT-GDBMZVCRSA-N 1 3 332.448 1.381 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071026 /nfs/dbraw/zinc/07/10/26/305071026.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 1 3 344.503 1.310 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431856304 305084028 /nfs/dbraw/zinc/08/40/28/305084028.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431856304 305084029 /nfs/dbraw/zinc/08/40/29/305084029.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 1 3 338.540 1.641 20 0 EDADHO CN(CCNC(=O)CCCN1CCC([NH3+])CC1)Cc1ccccc1 ZINC000433122246 305101080 /nfs/dbraw/zinc/10/10/80/305101080.db2.gz VFNGYAXISWZGEZ-UHFFFAOYSA-N 1 3 332.492 1.438 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433458675 305109953 /nfs/dbraw/zinc/10/99/53/305109953.db2.gz IEQNXRYVQDNFMB-QGZVFWFLSA-N 1 3 342.528 1.861 20 0 EDADHO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C1CCN(C)CC1 ZINC000435599291 305143103 /nfs/dbraw/zinc/14/31/03/305143103.db2.gz SJTOQBKFHRDRMG-AWEZNQCLSA-N 1 3 336.505 1.731 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000442144584 305226067 /nfs/dbraw/zinc/22/60/67/305226067.db2.gz IGPIPDKLUJEOMP-RHSMWYFYSA-N 1 3 346.475 1.328 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCC1(N2CCC(OC)CC2)CCCC1 ZINC000449120118 305307123 /nfs/dbraw/zinc/30/71/23/305307123.db2.gz BRTCDVZTOOGLOD-OAHLLOKOSA-N 1 3 325.497 1.914 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451410124 305344265 /nfs/dbraw/zinc/34/42/65/305344265.db2.gz BKSZIPHUPFVJDP-RCCFBDPRSA-N 1 3 337.508 1.601 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451410120 305344302 /nfs/dbraw/zinc/34/43/02/305344302.db2.gz BKSZIPHUPFVJDP-KURKYZTESA-N 1 3 337.508 1.601 20 0 EDADHO CO[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353953 /nfs/dbraw/zinc/35/39/53/305353953.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353954 /nfs/dbraw/zinc/35/39/54/305353954.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353955 /nfs/dbraw/zinc/35/39/55/305353955.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 1 3 328.497 1.717 20 0 EDADHO CO[C@@H]1CC[N@H+](CCOCCN2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353956 /nfs/dbraw/zinc/35/39/56/305353956.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 1 3 328.497 1.717 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126840 305384301 /nfs/dbraw/zinc/38/43/01/305384301.db2.gz VAINENCEHFZXKY-AEFFLSMTSA-N 1 3 333.476 1.500 20 0 EDADHO COc1cc(C)ccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000449020984 447358942 /nfs/dbraw/zinc/35/89/42/447358942.db2.gz RQJAXOCNGKDEGB-UHFFFAOYSA-N 1 3 333.476 1.893 20 0 EDADHO CN(C)C1(CNC(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000519814411 305775510 /nfs/dbraw/zinc/77/55/10/305775510.db2.gz XLUMKHHLXFSWMN-UHFFFAOYSA-N 1 3 330.476 1.384 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000548102189 306119998 /nfs/dbraw/zinc/11/99/98/306119998.db2.gz YBEXBGDBCMHWBP-SJORKVTESA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000557099818 306223867 /nfs/dbraw/zinc/22/38/67/306223867.db2.gz FGVPAUBQYDLKPN-YJBOKZPZSA-N 1 3 330.476 1.948 20 0 EDADHO C[C@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204746 306226379 /nfs/dbraw/zinc/22/63/79/306226379.db2.gz HMRFRNSKNMXNRE-PKOBYXMFSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204746 306226380 /nfs/dbraw/zinc/22/63/80/306226380.db2.gz HMRFRNSKNMXNRE-PKOBYXMFSA-N 1 3 346.475 1.329 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000414955995 447372210 /nfs/dbraw/zinc/37/22/10/447372210.db2.gz PJRBTFWKQAZMQW-BEFAXECRSA-N 1 3 340.471 1.627 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660833951 453596421 /nfs/dbraw/zinc/59/64/21/453596421.db2.gz JSFBCTNCSLXRCD-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](NC(=O)NC[C@@H]1CCCN1CCCO)C(C)(C)C[NH+](C)C ZINC000458515202 447396788 /nfs/dbraw/zinc/39/67/88/447396788.db2.gz KWPLSSRBGXEYGY-GJZGRUSLSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000458648628 447437798 /nfs/dbraw/zinc/43/77/98/447437798.db2.gz MFVJQZYDYUOKLM-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CC(C)[C@H](C(=O)Nc1cccc(CN2CCN(C)CC2)c1)[NH+](C)C ZINC000106460392 441344670 /nfs/dbraw/zinc/34/46/70/441344670.db2.gz CKGGELXJRYERQE-GOSISDBHSA-N 1 3 332.492 1.959 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CC1 ZINC000378531038 447439649 /nfs/dbraw/zinc/43/96/49/447439649.db2.gz SQUXYFNHVYWELP-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N(C)C ZINC000106918033 441390250 /nfs/dbraw/zinc/39/02/50/441390250.db2.gz OBYLOFIHQVHRDR-IBGZPJMESA-N 1 3 347.503 1.846 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000050203691 441377634 /nfs/dbraw/zinc/37/76/34/441377634.db2.gz JRIJPLKOLHYJSO-KRWDZBQOSA-N 1 3 344.459 1.383 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000050203691 441377636 /nfs/dbraw/zinc/37/76/36/441377636.db2.gz JRIJPLKOLHYJSO-KRWDZBQOSA-N 1 3 344.459 1.383 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CN1CCN(C)CC1 ZINC000085362918 441433922 /nfs/dbraw/zinc/43/39/22/441433922.db2.gz SWUFXJCSYURAIM-CVEARBPZSA-N 1 3 341.544 1.145 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000114506473 441665306 /nfs/dbraw/zinc/66/53/06/441665306.db2.gz GFRFOOUBJNGLJC-UHFFFAOYSA-N 1 3 330.476 1.648 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000173388032 441731615 /nfs/dbraw/zinc/73/16/15/441731615.db2.gz VDHWNZRJQFDIPO-INIZCTEOSA-N 1 3 339.528 1.042 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000173398463 441734034 /nfs/dbraw/zinc/73/40/34/441734034.db2.gz MFXCFSFQNCLRKQ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000173398463 441734039 /nfs/dbraw/zinc/73/40/39/441734039.db2.gz MFXCFSFQNCLRKQ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000068644078 441834979 /nfs/dbraw/zinc/83/49/79/441834979.db2.gz MNWLMFJFIMAHCW-HNNXBMFYSA-N 1 3 348.491 1.923 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174804868 441970935 /nfs/dbraw/zinc/97/09/35/441970935.db2.gz QOOOTKPPHAFBSJ-UHFFFAOYSA-N 1 3 328.501 1.563 20 0 EDADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C(N)=O ZINC000120098820 442007677 /nfs/dbraw/zinc/00/76/77/442007677.db2.gz YWPAJBHWWKMCBB-UHFFFAOYSA-N 1 3 335.452 1.051 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754191 442116500 /nfs/dbraw/zinc/11/65/00/442116500.db2.gz BHVZKLFYZUBLEX-QGZVFWFLSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1COc2ccccc21 ZINC000163561832 442174262 /nfs/dbraw/zinc/17/42/62/442174262.db2.gz ILLJBAQCNFPEIG-NVXWUHKLSA-N 1 3 348.491 1.686 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150625 442183369 /nfs/dbraw/zinc/18/33/69/442183369.db2.gz XVNUVTQAJURNJW-IQMFZBJNSA-N 1 3 338.517 1.949 20 0 EDADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCNS(C)(=O)=O)CC2)C1 ZINC000121205643 442191549 /nfs/dbraw/zinc/19/15/49/442191549.db2.gz PIVWETUNDPEODI-GDBMZVCRSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205643 442191553 /nfs/dbraw/zinc/19/15/53/442191553.db2.gz PIVWETUNDPEODI-GDBMZVCRSA-N 1 3 331.526 1.558 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086539 442225866 /nfs/dbraw/zinc/22/58/66/442225866.db2.gz VJCXXNXQBIBVNL-APWZRJJASA-N 1 3 349.475 1.430 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086539 442225869 /nfs/dbraw/zinc/22/58/69/442225869.db2.gz VJCXXNXQBIBVNL-APWZRJJASA-N 1 3 349.475 1.430 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200552 442326778 /nfs/dbraw/zinc/32/67/78/442326778.db2.gz BBOLIOVMJVNZME-NVXWUHKLSA-N 1 3 328.501 1.374 20 0 EDADHO CN1CCN(CCC[N@H+](C)Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000129782939 442331485 /nfs/dbraw/zinc/33/14/85/442331485.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 1 3 328.464 1.337 20 0 EDADHO CN1CCN(CCC[N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000129782939 442331488 /nfs/dbraw/zinc/33/14/88/442331488.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 1 3 328.464 1.337 20 0 EDADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1Cl ZINC000130576654 442350485 /nfs/dbraw/zinc/35/04/85/442350485.db2.gz UTWFSRQQWFDIOO-UHFFFAOYSA-N 1 3 340.855 1.230 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1Cl ZINC000130576654 442350486 /nfs/dbraw/zinc/35/04/86/442350486.db2.gz UTWFSRQQWFDIOO-UHFFFAOYSA-N 1 3 340.855 1.230 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318562 442387077 /nfs/dbraw/zinc/38/70/77/442387077.db2.gz ZPTXYWQWLKSABF-MSOLQXFVSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318562 442387079 /nfs/dbraw/zinc/38/70/79/442387079.db2.gz ZPTXYWQWLKSABF-MSOLQXFVSA-N 1 3 341.540 1.824 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000133414565 442416812 /nfs/dbraw/zinc/41/68/12/442416812.db2.gz BJRORHVFAAIZHQ-UHFFFAOYSA-N 1 3 333.480 1.636 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186093219 442461168 /nfs/dbraw/zinc/46/11/68/442461168.db2.gz KWZVGXDTINRAMI-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO CC(C)[NH+]1CCN(CCCN[C@](C)(C(N)=O)c2ccccc2)CC1 ZINC000191584906 442471509 /nfs/dbraw/zinc/47/15/09/442471509.db2.gz UFUYXLKYFHFSQE-IBGZPJMESA-N 1 3 332.492 1.393 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000179562510 442475138 /nfs/dbraw/zinc/47/51/38/442475138.db2.gz JUJQICRCPRVZNL-LSDHHAIUSA-N 1 3 329.485 1.942 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000179562510 442475143 /nfs/dbraw/zinc/47/51/43/442475143.db2.gz JUJQICRCPRVZNL-LSDHHAIUSA-N 1 3 329.485 1.942 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)CC2CC[NH2+]CC2)cc1 ZINC000178975537 442542696 /nfs/dbraw/zinc/54/26/96/442542696.db2.gz WEFLDBANKAFAKK-UHFFFAOYSA-N 1 3 325.478 1.205 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000179007081 442549912 /nfs/dbraw/zinc/54/99/12/442549912.db2.gz QNHJWKVUXXFLIW-GOSISDBHSA-N 1 3 344.503 1.575 20 0 EDADHO CN1CCN(c2cc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccn2)CC1 ZINC000192680931 442676522 /nfs/dbraw/zinc/67/65/22/442676522.db2.gz CDXUSAYPGSDUMQ-AYHJJNSGSA-N 1 3 329.492 1.548 20 0 EDADHO CN1CCN(c2cc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccn2)CC1 ZINC000192680931 442676524 /nfs/dbraw/zinc/67/65/24/442676524.db2.gz CDXUSAYPGSDUMQ-AYHJJNSGSA-N 1 3 329.492 1.548 20 0 EDADHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccnc(N3CCN(C)CC3)c1)C2 ZINC000192680931 442676527 /nfs/dbraw/zinc/67/65/27/442676527.db2.gz CDXUSAYPGSDUMQ-AYHJJNSGSA-N 1 3 329.492 1.548 20 0 EDADHO COCCCOC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192745556 442682360 /nfs/dbraw/zinc/68/23/60/442682360.db2.gz ZTIUUZWMPHWDDP-UHFFFAOYSA-N 1 3 341.540 1.920 20 0 EDADHO COCCC[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000181552276 442703108 /nfs/dbraw/zinc/70/31/08/442703108.db2.gz XTWIFJWCFBWYIG-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000265624855 442851052 /nfs/dbraw/zinc/85/10/52/442851052.db2.gz IEGWOQVXHJDAJZ-MQDFFIGUSA-N 1 3 344.459 1.440 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000265624855 442851055 /nfs/dbraw/zinc/85/10/55/442851055.db2.gz IEGWOQVXHJDAJZ-MQDFFIGUSA-N 1 3 344.459 1.440 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN(C)C(C)C)cc1 ZINC000189449081 442957064 /nfs/dbraw/zinc/95/70/64/442957064.db2.gz GWRCKAXPFJIQCR-UHFFFAOYSA-N 1 3 348.491 1.923 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000249555547 442986909 /nfs/dbraw/zinc/98/69/09/442986909.db2.gz JOWSPPHAIOZTFB-JFIYKMOQSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000184586063 443045126 /nfs/dbraw/zinc/04/51/26/443045126.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000184586063 443045131 /nfs/dbraw/zinc/04/51/31/443045131.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 1 3 346.519 1.679 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CCN1Cc1ccccc1 ZINC000268869539 443132315 /nfs/dbraw/zinc/13/23/15/443132315.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869539 443132319 /nfs/dbraw/zinc/13/23/19/443132319.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869539 443132322 /nfs/dbraw/zinc/13/23/22/443132322.db2.gz GALUUZNKFFFOPF-MISYRCLQSA-N 1 3 330.520 1.875 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185138437 443145587 /nfs/dbraw/zinc/14/55/87/443145587.db2.gz SRYZBYVITYVNQL-INIZCTEOSA-N 1 3 341.544 1.432 20 0 EDADHO COCC1(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382388 443192161 /nfs/dbraw/zinc/19/21/61/443192161.db2.gz NZRYTMWQYAISIY-WMZOPIPTSA-N 1 3 345.487 1.782 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)C[NH2+]C2CC2)CC1 ZINC000236954628 443153130 /nfs/dbraw/zinc/15/31/30/443153130.db2.gz CTLKZFQRFJSRGG-UHFFFAOYSA-N 1 3 330.476 1.192 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000269247959 443249258 /nfs/dbraw/zinc/24/92/58/443249258.db2.gz VYVBNPCAXNYHFA-GOSISDBHSA-N 1 3 331.460 1.667 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000397449410 319134942 /nfs/dbraw/zinc/13/49/42/319134942.db2.gz QIEDJCUCDXWXMB-KFWWJZLASA-N 1 3 327.469 1.695 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000397449410 319134944 /nfs/dbraw/zinc/13/49/44/319134944.db2.gz QIEDJCUCDXWXMB-KFWWJZLASA-N 1 3 327.469 1.695 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@H]3CCCCNC3=O)CC2)C[C@H](C)O1 ZINC000245864379 443252129 /nfs/dbraw/zinc/25/21/29/443252129.db2.gz LFYJTTGMTVNMEH-JZXOWHBKSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cccc(C[C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992633 319344214 /nfs/dbraw/zinc/34/42/14/319344214.db2.gz TYOGAFLVJXJXHQ-GXTWGEPZSA-N 1 3 346.397 1.447 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000415087654 319347040 /nfs/dbraw/zinc/34/70/40/319347040.db2.gz TZDCSKZHIQFQFP-SNVBAGLBSA-N 1 3 346.294 1.798 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415254589 319357228 /nfs/dbraw/zinc/35/72/28/319357228.db2.gz KYWMYQBXNFEJBY-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO C[N@H+](Cc1ccccc1NC(=O)C(=O)NCCN)C1CCCCC1 ZINC000415268141 319358570 /nfs/dbraw/zinc/35/85/70/319358570.db2.gz JXVHBNSPZYSYKJ-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCN)C1CCCCC1 ZINC000415268141 319358572 /nfs/dbraw/zinc/35/85/72/319358572.db2.gz JXVHBNSPZYSYKJ-UHFFFAOYSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CNC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269274989 443262522 /nfs/dbraw/zinc/26/25/22/443262522.db2.gz WATHQLFIWIUXBO-NZSAHSFTSA-N 1 3 345.487 1.924 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CNC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000269274989 443262524 /nfs/dbraw/zinc/26/25/24/443262524.db2.gz WATHQLFIWIUXBO-NZSAHSFTSA-N 1 3 345.487 1.924 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 ZINC000416933549 319478041 /nfs/dbraw/zinc/47/80/41/319478041.db2.gz RDFVMYIZAHNQTI-UHFFFAOYSA-N 1 3 330.476 1.826 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)CN1CCCCCC1 ZINC000419125809 319558880 /nfs/dbraw/zinc/55/88/80/319558880.db2.gz USLJKCBIINSMOW-LSDHHAIUSA-N 1 3 326.485 1.001 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000267319059 443416564 /nfs/dbraw/zinc/41/65/64/443416564.db2.gz NFRLSFDSNKFTTM-AWEZNQCLSA-N 1 3 334.464 1.452 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278992341 443483759 /nfs/dbraw/zinc/48/37/59/443483759.db2.gz LEVFSOHPJSNQEM-HOTGVXAUSA-N 1 3 341.459 1.389 20 0 EDADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950940 319740971 /nfs/dbraw/zinc/74/09/71/319740971.db2.gz XFGTXSFBCLAKAI-BJJXKVORSA-N 1 3 325.478 1.715 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000272297903 443584174 /nfs/dbraw/zinc/58/41/74/443584174.db2.gz QGDUGGRJDDHCSH-ROUUACIJSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433374354 319978448 /nfs/dbraw/zinc/97/84/48/319978448.db2.gz FOEDXVMDECVPTG-OAHLLOKOSA-N 1 3 342.447 1.825 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000447442908 320142204 /nfs/dbraw/zinc/14/22/04/320142204.db2.gz SUHSFLPLCBFQHX-ZWKOTPCHSA-N 1 3 347.503 1.939 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+]C3(C)C)CC2)c1 ZINC000449750407 320205121 /nfs/dbraw/zinc/20/51/21/320205121.db2.gz IYXJHVQKABPIAX-SFHVURJKSA-N 1 3 344.503 1.764 20 0 EDADHO CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)C12CCC2 ZINC000459738430 320349383 /nfs/dbraw/zinc/34/93/83/320349383.db2.gz AHKXMHGXKVMCMU-KZNAEPCWSA-N 1 3 345.487 1.953 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)CN1Cc1ccccc1 ZINC000471647401 320353079 /nfs/dbraw/zinc/35/30/79/320353079.db2.gz GVUFNHKQCSCHTM-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO CN1CCC([NH+]2CCC(NCc3c[nH]c4nccnc34)CC2)CC1 ZINC000290972869 443723787 /nfs/dbraw/zinc/72/37/87/443723787.db2.gz XQPGNFPNZOPFKP-UHFFFAOYSA-N 1 3 328.464 1.606 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000288151791 443787133 /nfs/dbraw/zinc/78/71/33/443787133.db2.gz ZHAHMRGGLSRPEX-RDJZCZTQSA-N 1 3 333.480 1.495 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(C)CC2)[C@@H]1C ZINC000530317748 320620456 /nfs/dbraw/zinc/62/04/56/320620456.db2.gz OVCTYNDZSSQESV-IKGGRYGDSA-N 1 3 325.497 1.581 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCC(F)F)nc1 ZINC000536468224 320725563 /nfs/dbraw/zinc/72/55/63/320725563.db2.gz ROLRPSMDUUENKJ-UHFFFAOYSA-N 1 3 344.406 1.291 20 0 EDADHO CNC(=O)NC(=O)CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000299297842 444009933 /nfs/dbraw/zinc/00/99/33/444009933.db2.gz MRVPQAZCXUNQRO-GJZGRUSLSA-N 1 3 346.475 1.578 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000557261521 321001605 /nfs/dbraw/zinc/00/16/05/321001605.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000557261521 321001606 /nfs/dbraw/zinc/00/16/06/321001606.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000565312876 321181495 /nfs/dbraw/zinc/18/14/95/321181495.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000565312876 321181496 /nfs/dbraw/zinc/18/14/96/321181496.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 1 3 338.540 1.783 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CO)C(C)(C)C)CC2)CC1 ZINC000569000982 321314434 /nfs/dbraw/zinc/31/44/34/321314434.db2.gz VGBUZJJLUHFKBL-QGZVFWFLSA-N 1 3 339.524 1.706 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921507 321331846 /nfs/dbraw/zinc/33/18/46/321331846.db2.gz VSDGGEVRPRPDGQ-GDBMZVCRSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921507 321331847 /nfs/dbraw/zinc/33/18/47/321331847.db2.gz VSDGGEVRPRPDGQ-GDBMZVCRSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921507 321331848 /nfs/dbraw/zinc/33/18/48/321331848.db2.gz VSDGGEVRPRPDGQ-GDBMZVCRSA-N 1 3 329.444 1.982 20 0 EDADHO C[N@H+](C[C@H](O)CNC[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093015 321337398 /nfs/dbraw/zinc/33/73/98/321337398.db2.gz DNPVQRNJMOXWQH-GXTWGEPZSA-N 1 3 344.858 1.675 20 0 EDADHO C[N@@H+](C[C@H](O)CNC[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093015 321337400 /nfs/dbraw/zinc/33/74/00/321337400.db2.gz DNPVQRNJMOXWQH-GXTWGEPZSA-N 1 3 344.858 1.675 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(OC(F)F)C3)CC2)CC1 ZINC000570653961 321351812 /nfs/dbraw/zinc/35/18/12/321351812.db2.gz VZQLOFVFUOCCCE-UHFFFAOYSA-N 1 3 345.434 1.633 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000573249110 321446333 /nfs/dbraw/zinc/44/63/33/321446333.db2.gz UYVPLDKKGGEYPV-AEFFLSMTSA-N 1 3 345.422 1.735 20 0 EDADHO CN1CCN(CC[NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000282325615 444149106 /nfs/dbraw/zinc/14/91/06/444149106.db2.gz NUOSMLGSOIKGQR-UHFFFAOYSA-N 1 3 331.508 1.666 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000304060949 444241272 /nfs/dbraw/zinc/24/12/72/444241272.db2.gz PAJCOQCYKILBNJ-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO COCCOC[C@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224356 444292840 /nfs/dbraw/zinc/29/28/40/444292840.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 1 3 348.487 1.464 20 0 EDADHO COCCOC[C@H](O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224356 444292842 /nfs/dbraw/zinc/29/28/42/444292842.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 1 3 348.487 1.464 20 0 EDADHO c1csc(-c2noc(CCCN3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000326438954 444374608 /nfs/dbraw/zinc/37/46/08/444374608.db2.gz UHJNXASPNKCJNS-AWEZNQCLSA-N 1 3 347.488 1.710 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000578745153 321823649 /nfs/dbraw/zinc/82/36/49/321823649.db2.gz HOKZPOURXNQSPX-SJORKVTESA-N 1 3 325.497 1.493 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055213 /nfs/dbraw/zinc/05/52/13/322055213.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 1 3 349.519 1.520 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055215 /nfs/dbraw/zinc/05/52/15/322055215.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 1 3 349.519 1.520 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580832253 322101258 /nfs/dbraw/zinc/10/12/58/322101258.db2.gz USNFMBPOHSMZHV-KYHPRHEASA-N 1 3 328.460 1.642 20 0 EDADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000580881054 322106932 /nfs/dbraw/zinc/10/69/32/322106932.db2.gz DGMBXRDPGXGVHF-MRXNPFEDSA-N 1 3 348.447 1.401 20 0 EDADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000580881054 322106933 /nfs/dbraw/zinc/10/69/33/322106933.db2.gz DGMBXRDPGXGVHF-MRXNPFEDSA-N 1 3 348.447 1.401 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000581061033 322130045 /nfs/dbraw/zinc/13/00/45/322130045.db2.gz BHKQJYGXPHHIKG-GOSISDBHSA-N 1 3 347.507 1.313 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000581142882 322141773 /nfs/dbraw/zinc/14/17/73/322141773.db2.gz IPGWOLPQRAKZCT-NZSAHSFTSA-N 1 3 344.503 1.943 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCCO)CC2)CC1 ZINC000581438147 322177906 /nfs/dbraw/zinc/17/79/06/322177906.db2.gz HARIIXOKQSVPCB-HNNXBMFYSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014338 444629386 /nfs/dbraw/zinc/62/93/86/444629386.db2.gz WBDUFPHXDWJXRE-CIRFHOKZSA-N 1 3 337.508 1.743 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000340941639 444587998 /nfs/dbraw/zinc/58/79/98/444587998.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 1 3 328.501 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000340941639 444588002 /nfs/dbraw/zinc/58/80/02/444588002.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 1 3 328.501 1.517 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333248917 444650869 /nfs/dbraw/zinc/65/08/69/444650869.db2.gz GIKBYCXRDTVWCJ-MGMWPHTOSA-N 1 3 334.508 1.876 20 0 EDADHO Cc1cnc(N[C@@H]2CCN(C)[C@H](C)C2)nc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000333301731 444655797 /nfs/dbraw/zinc/65/57/97/444655797.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 1 3 346.523 2.574 20 0 EDADHO Cc1cnc(N[C@@H]2CCN(C)[C@H](C)C2)nc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000333301731 444655800 /nfs/dbraw/zinc/65/58/00/444655800.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 1 3 346.523 2.574 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343905724 444660203 /nfs/dbraw/zinc/66/02/03/444660203.db2.gz KLKPSTIBLUHATD-MRXNPFEDSA-N 1 3 340.512 1.166 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H]1C ZINC000343916187 444666358 /nfs/dbraw/zinc/66/63/58/444666358.db2.gz KWOYGUKINVHPSE-XHSDSOJGSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@H]1C ZINC000343916187 444666362 /nfs/dbraw/zinc/66/63/62/444666362.db2.gz KWOYGUKINVHPSE-XHSDSOJGSA-N 1 3 326.485 1.221 20 0 EDADHO COC(=O)[C@](C)(O)CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000343934650 444679575 /nfs/dbraw/zinc/67/95/75/444679575.db2.gz HYTQIDPDVZTIRF-VQIMIIECSA-N 1 3 334.460 1.801 20 0 EDADHO COC(=O)[C@](C)(O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000343934650 444679577 /nfs/dbraw/zinc/67/95/77/444679577.db2.gz HYTQIDPDVZTIRF-VQIMIIECSA-N 1 3 334.460 1.801 20 0 EDADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)CCCN(C)CC[NH+](C)C ZINC000344013592 444728097 /nfs/dbraw/zinc/72/80/97/444728097.db2.gz CMDSDEGUOZSSOU-KSZLIROESA-N 1 3 340.556 1.980 20 0 EDADHO COCC1(CNC(=O)N2CC[C@]3(C2)CCCN(C)C3)CC[NH2+]CC1 ZINC000333680607 444689515 /nfs/dbraw/zinc/68/95/15/444689515.db2.gz ORCWVMOJTIIRNU-GOSISDBHSA-N 1 3 338.496 1.130 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCc2cnccn2)CC1 ZINC000341268826 444754712 /nfs/dbraw/zinc/75/47/12/444754712.db2.gz KWWMLZSSRUTPII-UHFFFAOYSA-N 1 3 325.460 1.951 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](N3CCCCC3)C2)C[C@H](C)O1 ZINC000341469117 444847574 /nfs/dbraw/zinc/84/75/74/444847574.db2.gz XBKQIMGGCQQMSK-XWTMOSNGSA-N 1 3 325.497 1.017 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](N3CCCCC3)C2)C[C@H](C)O1 ZINC000341469117 444847577 /nfs/dbraw/zinc/84/75/77/444847577.db2.gz XBKQIMGGCQQMSK-XWTMOSNGSA-N 1 3 325.497 1.017 20 0 EDADHO [NH3+]CC1(C(=O)NCCCN2CCc3ccccc3C2)CCOCC1 ZINC000344443422 444975430 /nfs/dbraw/zinc/97/54/30/444975430.db2.gz CDNGZHQNSDDHRR-UHFFFAOYSA-N 1 3 331.460 1.307 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344515199 445026970 /nfs/dbraw/zinc/02/69/70/445026970.db2.gz NGLWWNHBRKCVBD-IRXDYDNUSA-N 1 3 342.528 1.355 20 0 EDADHO C[N@H+](CCCN1CCCC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC000337226926 444994592 /nfs/dbraw/zinc/99/45/92/444994592.db2.gz PTZUUZWAORDKDJ-UHFFFAOYSA-N 1 3 338.374 1.182 20 0 EDADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC000337226926 444994594 /nfs/dbraw/zinc/99/45/94/444994594.db2.gz PTZUUZWAORDKDJ-UHFFFAOYSA-N 1 3 338.374 1.182 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092611 445057559 /nfs/dbraw/zinc/05/75/59/445057559.db2.gz CXFXADJJPBOIJA-QZTJIDSGSA-N 1 3 336.524 1.249 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC1CCCC1 ZINC000337568221 445141838 /nfs/dbraw/zinc/14/18/38/445141838.db2.gz BBWFLXJSQHYYHY-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC1CCCC1 ZINC000337568221 445141841 /nfs/dbraw/zinc/14/18/41/445141841.db2.gz BBWFLXJSQHYYHY-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343400943 445216209 /nfs/dbraw/zinc/21/62/09/445216209.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343400943 445216210 /nfs/dbraw/zinc/21/62/10/445216210.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 1 3 348.535 1.489 20 0 EDADHO CN(c1ccccc1CNC[C@@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000343447787 445224719 /nfs/dbraw/zinc/22/47/19/445224719.db2.gz KLSZTKBOYZRMQA-GOSISDBHSA-N 1 3 333.476 1.722 20 0 EDADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000343517956 445237366 /nfs/dbraw/zinc/23/73/66/445237366.db2.gz XNUAPXUHOZEFMT-CJNGLKHVSA-N 1 3 349.450 1.999 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C1 ZINC000347542815 445242121 /nfs/dbraw/zinc/24/21/21/445242121.db2.gz MOXHEDWQMCYZBH-RRFJBIMHSA-N 1 3 328.501 1.323 20 0 EDADHO COC[C@H](C)OC[C@H](O)C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348327755 445257499 /nfs/dbraw/zinc/25/74/99/445257499.db2.gz KCKJMJMCZHTJTQ-MTFMMBMASA-N 1 3 348.487 1.463 20 0 EDADHO CN(C)C1(CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC1 ZINC000354676778 445336487 /nfs/dbraw/zinc/33/64/87/445336487.db2.gz IHSHCAHLOYGNKP-CQSZACIVSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCOC1CNC1 ZINC000349002958 445472519 /nfs/dbraw/zinc/47/25/19/445472519.db2.gz PWFLXXIASRKMQW-IGOJGBNBSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCOC1CNC1 ZINC000349002958 445472524 /nfs/dbraw/zinc/47/25/24/445472524.db2.gz PWFLXXIASRKMQW-IGOJGBNBSA-N 1 3 345.487 1.638 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000359903011 445480116 /nfs/dbraw/zinc/48/01/16/445480116.db2.gz RRWXGKXGDYNWRP-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000355354180 445456689 /nfs/dbraw/zinc/45/66/89/445456689.db2.gz RNELAPJSQOHSJG-NVXWUHKLSA-N 1 3 336.480 1.555 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355406568 445458237 /nfs/dbraw/zinc/45/82/37/445458237.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355406568 445458243 /nfs/dbraw/zinc/45/82/43/445458243.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 1 3 336.524 1.488 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359996304 445520487 /nfs/dbraw/zinc/52/04/87/445520487.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359996304 445520491 /nfs/dbraw/zinc/52/04/91/445520491.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH2+]CCC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000357240038 445500312 /nfs/dbraw/zinc/50/03/12/445500312.db2.gz LCYWHYYXQLXYOS-UHFFFAOYSA-N 1 3 332.492 1.623 20 0 EDADHO CC[NH+](CC)CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000355957757 445544777 /nfs/dbraw/zinc/54/47/77/445544777.db2.gz LWWWNQBHHARDMA-LJQANCHMSA-N 1 3 348.491 1.264 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000358537134 445640754 /nfs/dbraw/zinc/64/07/54/445640754.db2.gz ZHAHMRGGLSRPEX-NVXWUHKLSA-N 1 3 333.480 1.495 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000360249291 445655925 /nfs/dbraw/zinc/65/59/25/445655925.db2.gz KPXWKCKTCOIALJ-KRWDZBQOSA-N 1 3 342.553 1.843 20 0 EDADHO CN(CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356177465 445663026 /nfs/dbraw/zinc/66/30/26/445663026.db2.gz BJVIBISKMFRERR-UHFFFAOYSA-N 1 3 327.432 1.347 20 0 EDADHO CCN1CCN(CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358623250 445681516 /nfs/dbraw/zinc/68/15/16/445681516.db2.gz CINOGGAQKXFRSL-UHFFFAOYSA-N 1 3 338.540 1.642 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCCN(C)CC2)[C@H]1C ZINC000358653118 445695312 /nfs/dbraw/zinc/69/53/12/445695312.db2.gz GIXJNRVXGOLARV-ULQDDVLXSA-N 1 3 325.497 1.581 20 0 EDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCN1C(=O)NC(C)(C)C1=O ZINC000360958872 445740267 /nfs/dbraw/zinc/74/02/67/445740267.db2.gz RNTZKFVQGISFBH-HUUCEWRRSA-N 1 3 338.496 1.807 20 0 EDADHO NC[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1 ZINC000358741496 445753033 /nfs/dbraw/zinc/75/30/33/445753033.db2.gz GXPGFXGWLZVCFY-MRXNPFEDSA-N 1 3 343.406 1.311 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356451115 445796866 /nfs/dbraw/zinc/79/68/66/445796866.db2.gz MGODHDROSQWXKU-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356451115 445796870 /nfs/dbraw/zinc/79/68/70/445796870.db2.gz MGODHDROSQWXKU-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000356459289 445801490 /nfs/dbraw/zinc/80/14/90/445801490.db2.gz OARQOGFFROTOLH-OWCLPIDISA-N 1 3 348.491 1.900 20 0 EDADHO CN(C)[C@H](CNC(=O)c1csc(CC[NH3+])n1)Cc1ccccc1 ZINC000358849181 445808476 /nfs/dbraw/zinc/80/84/76/445808476.db2.gz PXJCIKIGUOMFHC-AWEZNQCLSA-N 1 3 332.473 1.547 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000356570017 445864007 /nfs/dbraw/zinc/86/40/07/445864007.db2.gz BAKMNZDWTUIUCJ-QGZVFWFLSA-N 1 3 326.529 1.449 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364641210 445939974 /nfs/dbraw/zinc/93/99/74/445939974.db2.gz LPRBZFPBZYTUBR-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359028392 445897065 /nfs/dbraw/zinc/89/70/65/445897065.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 1 3 328.501 1.515 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359028392 445897068 /nfs/dbraw/zinc/89/70/68/445897068.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCN1C ZINC000361790724 445948086 /nfs/dbraw/zinc/94/80/86/445948086.db2.gz VZYPHNIWGIRTMB-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H](CN1CCCC1=O)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582899000 325953274 /nfs/dbraw/zinc/95/32/74/325953274.db2.gz IONWXVCTHMMHDB-SIXWZSSISA-N 1 3 329.444 1.843 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000583386372 326063725 /nfs/dbraw/zinc/06/37/25/326063725.db2.gz UDPYTIFCOZLIPD-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO Cc1nn(C(C)C)c(C)c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000583395124 326065354 /nfs/dbraw/zinc/06/53/54/326065354.db2.gz ICPHSIHOCUCWTP-UHFFFAOYSA-N 1 3 337.512 1.575 20 0 EDADHO CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](CN)C1 ZINC000583860146 326153863 /nfs/dbraw/zinc/15/38/63/326153863.db2.gz PBKWLEKTQZPUGE-NVXWUHKLSA-N 1 3 331.464 1.342 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1c(F)cncc1F ZINC000583953950 326172584 /nfs/dbraw/zinc/17/25/84/326172584.db2.gz ZXXLOQFYRQKYFF-LBPRGKRZSA-N 1 3 343.422 1.556 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)nn1 ZINC000583993644 326180223 /nfs/dbraw/zinc/18/02/23/326180223.db2.gz PIVVZWVHSXDLFD-BZUAXINKSA-N 1 3 334.468 1.198 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)c2ccn(CC[NH+](C)C)n2)o1 ZINC000584240707 326227808 /nfs/dbraw/zinc/22/78/08/326227808.db2.gz PHTMQEWPLVGQCT-UHFFFAOYSA-N 1 3 347.463 1.550 20 0 EDADHO C(C[NH+]1CCCC1)OC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000361984975 446128974 /nfs/dbraw/zinc/12/89/74/446128974.db2.gz DTGUAUXASNFUNJ-KDURUIRLSA-N 1 3 337.508 1.426 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000369690810 446148203 /nfs/dbraw/zinc/14/82/03/446148203.db2.gz FFUHWDFZAUABMI-UHFFFAOYSA-N 1 3 348.495 2.144 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299650 446151497 /nfs/dbraw/zinc/15/14/97/446151497.db2.gz AFEQUJVFVHBBGS-JKSUJKDBSA-N 1 3 332.448 1.379 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299650 446151502 /nfs/dbraw/zinc/15/15/02/446151502.db2.gz AFEQUJVFVHBBGS-JKSUJKDBSA-N 1 3 332.448 1.379 20 0 EDADHO CN1CCC([NH+]2CCC(CCNC(=O)[C@@H](N)C(C)(C)C)CC2)CC1 ZINC000366329157 446156499 /nfs/dbraw/zinc/15/64/99/446156499.db2.gz XFVUCHIMHODJEB-QGZVFWFLSA-N 1 3 338.540 1.672 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365553428 446251836 /nfs/dbraw/zinc/25/18/36/446251836.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 1 3 338.496 1.269 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365553428 446251838 /nfs/dbraw/zinc/25/18/38/446251838.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc2ccccc2C1 ZINC000417736078 446371485 /nfs/dbraw/zinc/37/14/85/446371485.db2.gz MECQMBDHTBDPDG-AWEZNQCLSA-N 1 3 340.418 1.367 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000370771258 446430030 /nfs/dbraw/zinc/43/00/30/446430030.db2.gz GPRZHJKAWBURKR-VNBWJKKMSA-N 1 3 349.519 1.913 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000418071783 446431624 /nfs/dbraw/zinc/43/16/24/446431624.db2.gz JHRMYJUNVLAGQV-MSOLQXFVSA-N 1 3 346.475 1.314 20 0 EDADHO C[C@@H](NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H](C)[NH3+] ZINC000418107099 446439828 /nfs/dbraw/zinc/43/98/28/446439828.db2.gz OKMLGUNXTVBOCJ-YSARLGLZSA-N 1 3 336.402 1.827 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420271719 446443666 /nfs/dbraw/zinc/44/36/66/446443666.db2.gz KLUBYJBBSWYZDW-UONOGXRCSA-N 1 3 347.511 1.762 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168690 446446645 /nfs/dbraw/zinc/44/66/45/446446645.db2.gz HVRWIIRMEJBAQK-ZYHUDNBSSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C1CNC1 ZINC000423168690 446446650 /nfs/dbraw/zinc/44/66/50/446446650.db2.gz HVRWIIRMEJBAQK-ZYHUDNBSSA-N 1 3 345.256 1.937 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000418004069 446412124 /nfs/dbraw/zinc/41/21/24/446412124.db2.gz ZLUYELBBQLQDAN-KRWDZBQOSA-N 1 3 348.491 1.570 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000418029879 446419676 /nfs/dbraw/zinc/41/96/76/446419676.db2.gz IVFOSMLTMORRAH-OKZBNKHCSA-N 1 3 348.491 1.023 20 0 EDADHO CSc1ccc([C@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000418237610 446468569 /nfs/dbraw/zinc/46/85/69/446468569.db2.gz VYGUNSKRYHVTOH-CJNGLKHVSA-N 1 3 336.505 1.920 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420316945 446481697 /nfs/dbraw/zinc/48/16/97/446481697.db2.gz MPGFPCCJEQPVHL-MSOLQXFVSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420316945 446481702 /nfs/dbraw/zinc/48/17/02/446481702.db2.gz MPGFPCCJEQPVHL-MSOLQXFVSA-N 1 3 333.476 1.534 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420316945 446481708 /nfs/dbraw/zinc/48/17/08/446481708.db2.gz MPGFPCCJEQPVHL-MSOLQXFVSA-N 1 3 333.476 1.534 20 0 EDADHO CN(CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000423362311 446501425 /nfs/dbraw/zinc/50/14/25/446501425.db2.gz XVBSZDDZWZVWOG-GOSISDBHSA-N 1 3 341.459 1.669 20 0 EDADHO CC[NH2+]CCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418332605 446503648 /nfs/dbraw/zinc/50/36/48/446503648.db2.gz ZQFLHSLONKAPBN-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335709 446505911 /nfs/dbraw/zinc/50/59/11/446505911.db2.gz LXNZZAXVMAAOKA-OIISXLGYSA-N 1 3 344.459 1.332 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423358920 446498824 /nfs/dbraw/zinc/49/88/24/446498824.db2.gz OGRBWXZUJLYAOP-KONPQCLYSA-N 1 3 337.508 1.722 20 0 EDADHO Cc1cccc(OCCNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330244 446499281 /nfs/dbraw/zinc/49/92/81/446499281.db2.gz AOQYSEQNJLJTFZ-MSOLQXFVSA-N 1 3 345.487 1.812 20 0 EDADHO COc1ccccc1CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344861 446516976 /nfs/dbraw/zinc/51/69/76/446516976.db2.gz UVUNNZHXCGROKJ-WBVHZDCISA-N 1 3 331.460 1.633 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418372919 446519635 /nfs/dbraw/zinc/51/96/35/446519635.db2.gz UJDPFCYAFQKGHU-DOTOQJQBSA-N 1 3 334.464 1.739 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000418391578 446526441 /nfs/dbraw/zinc/52/64/41/446526441.db2.gz CCCBFGJTRKUPRU-YJBOKZPZSA-N 1 3 330.476 1.887 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423420400 446526806 /nfs/dbraw/zinc/52/68/06/446526806.db2.gz WVZDOFQDLMLJHG-INIZCTEOSA-N 1 3 340.512 1.025 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1)[C@@H]1CCCN(C)C1 ZINC000423436107 446536120 /nfs/dbraw/zinc/53/61/20/446536120.db2.gz ZHZSCFDIPWIWNW-MRXNPFEDSA-N 1 3 344.459 1.401 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)CN ZINC000420359789 446539930 /nfs/dbraw/zinc/53/99/30/446539930.db2.gz WCVQAIVLSMSGFU-GFCCVEGCSA-N 1 3 330.226 1.029 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)CN ZINC000420359789 446539934 /nfs/dbraw/zinc/53/99/34/446539934.db2.gz WCVQAIVLSMSGFU-GFCCVEGCSA-N 1 3 330.226 1.029 20 0 EDADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373203 446551052 /nfs/dbraw/zinc/55/10/52/446551052.db2.gz QWZDZQVQRIAEDK-WWGRRREGSA-N 1 3 326.462 1.445 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420377608 446554435 /nfs/dbraw/zinc/55/44/35/446554435.db2.gz PVGRYHIBZVOVMI-IEBWSBKVSA-N 1 3 344.503 1.308 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](CN)C2CCCC2)c1 ZINC000423503511 446556906 /nfs/dbraw/zinc/55/69/06/446556906.db2.gz FWGROLKTBHXKDG-BLLLJJGKSA-N 1 3 325.478 1.763 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418503351 446568737 /nfs/dbraw/zinc/56/87/37/446568737.db2.gz YABHQTMCOXKJNM-QGZVFWFLSA-N 1 3 330.432 1.375 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418569825 446597994 /nfs/dbraw/zinc/59/79/94/446597994.db2.gz CHJPUWDWEICECD-SFHVURJKSA-N 1 3 346.475 1.182 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000418587662 446603581 /nfs/dbraw/zinc/60/35/81/446603581.db2.gz GYUSWPRIXSBZGE-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000434351850 446637122 /nfs/dbraw/zinc/63/71/22/446637122.db2.gz LTKCMVDMYPXSPE-SJORKVTESA-N 1 3 338.496 1.149 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376678099 446646237 /nfs/dbraw/zinc/64/62/37/446646237.db2.gz GWTAMDPAFFPBJD-BZSNNMDCSA-N 1 3 345.491 1.858 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376678099 446646242 /nfs/dbraw/zinc/64/62/42/446646242.db2.gz GWTAMDPAFFPBJD-BZSNNMDCSA-N 1 3 345.491 1.858 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418736376 446660499 /nfs/dbraw/zinc/66/04/99/446660499.db2.gz URCFEOREEZDGLS-GOSISDBHSA-N 1 3 347.507 1.183 20 0 EDADHO CN1CCCC[C@H]1CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000376805990 446731193 /nfs/dbraw/zinc/73/11/93/446731193.db2.gz GFUZDFWNHUJKQU-HNNXBMFYSA-N 1 3 346.475 1.898 20 0 EDADHO O=C(COC1CNC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423900537 446752367 /nfs/dbraw/zinc/75/23/67/446752367.db2.gz KGJUUBVXKFPXOH-IEBWSBKVSA-N 1 3 343.471 1.488 20 0 EDADHO O=C(COC1CNC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423900537 446752374 /nfs/dbraw/zinc/75/23/74/446752374.db2.gz KGJUUBVXKFPXOH-IEBWSBKVSA-N 1 3 343.471 1.488 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000375427095 446792664 /nfs/dbraw/zinc/79/26/64/446792664.db2.gz RVOGKYYTUOCGAK-MRXNPFEDSA-N 1 3 345.487 1.979 20 0 EDADHO COCCN1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000371403627 446832790 /nfs/dbraw/zinc/83/27/90/446832790.db2.gz ADJRQHFXXYNIJO-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO NC[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000418996793 446854177 /nfs/dbraw/zinc/85/41/77/446854177.db2.gz KOJMIOQPYLGGGV-MRXNPFEDSA-N 1 3 338.496 1.002 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000377032484 446872728 /nfs/dbraw/zinc/87/27/28/446872728.db2.gz RBKXUFWLKSNGPT-QYZOEREBSA-N 1 3 335.540 1.172 20 0 EDADHO COCC[C@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]C1 ZINC000372120834 447014088 /nfs/dbraw/zinc/01/40/88/447014088.db2.gz GCOYCGBOCGUYMQ-LJQANCHMSA-N 1 3 349.475 1.259 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000419162048 446979548 /nfs/dbraw/zinc/97/95/48/446979548.db2.gz SXKSCJCHXJMFPZ-HOTGVXAUSA-N 1 3 340.512 1.055 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419176444 446992026 /nfs/dbraw/zinc/99/20/26/446992026.db2.gz ZEFDUYFWJJMINS-OWCLPIDISA-N 1 3 338.496 1.014 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059617 447002600 /nfs/dbraw/zinc/00/26/00/447002600.db2.gz NIXKZZNLWCHXRN-HNNXBMFYSA-N 1 3 337.439 1.772 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000419191354 447002881 /nfs/dbraw/zinc/00/28/81/447002881.db2.gz OAGCPVQJRFYSRZ-GJZGRUSLSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000419191354 447002885 /nfs/dbraw/zinc/00/28/85/447002885.db2.gz OAGCPVQJRFYSRZ-GJZGRUSLSA-N 1 3 346.475 1.141 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368717833 447064616 /nfs/dbraw/zinc/06/46/16/447064616.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 1 3 328.501 1.207 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000368717833 447064622 /nfs/dbraw/zinc/06/46/22/447064622.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 1 3 328.501 1.207 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375897808 447130318 /nfs/dbraw/zinc/13/03/18/447130318.db2.gz LSSWVGXANAOZBS-KZNAEPCWSA-N 1 3 331.460 1.887 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375897808 447130327 /nfs/dbraw/zinc/13/03/27/447130327.db2.gz LSSWVGXANAOZBS-KZNAEPCWSA-N 1 3 331.460 1.887 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000377539813 447191764 /nfs/dbraw/zinc/19/17/64/447191764.db2.gz FYFKXYMYEIVBOJ-HOTGVXAUSA-N 1 3 333.432 1.048 20 0 EDADHO CC[NH+](CC)CCCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000446259532 447247057 /nfs/dbraw/zinc/24/70/57/447247057.db2.gz XRMWWUNGXPYSLQ-IIDMSEBBSA-N 1 3 325.497 1.757 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCO1 ZINC000425733422 447283202 /nfs/dbraw/zinc/28/32/02/447283202.db2.gz AKPMWHGRRFRSIO-YESZJQIVSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCCO1 ZINC000425733422 447283205 /nfs/dbraw/zinc/28/32/05/447283205.db2.gz AKPMWHGRRFRSIO-YESZJQIVSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCCN(CCCO)C1 ZINC000458707133 447457932 /nfs/dbraw/zinc/45/79/32/447457932.db2.gz NKCKLIKQEADTPP-MRXNPFEDSA-N 1 3 338.496 1.007 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000426675111 447490030 /nfs/dbraw/zinc/49/00/30/447490030.db2.gz PHHIWOBBENUWNG-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NC[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000419928868 447496055 /nfs/dbraw/zinc/49/60/55/447496055.db2.gz LOUJYJRRBSHMFZ-DOTOQJQBSA-N 1 3 346.475 1.041 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)NC1CC[NH+](C2CCC2)CC1 ZINC000459117091 447582278 /nfs/dbraw/zinc/58/22/78/447582278.db2.gz VDGMFNBFYDRUAW-KRWDZBQOSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C(=O)C[C@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000427333466 447583021 /nfs/dbraw/zinc/58/30/21/447583021.db2.gz ZPPBHLWBBYAPDJ-MRXNPFEDSA-N 1 3 330.476 1.547 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@@H]2CCCN2CCCO)CC(C)(C)[NH2+]1 ZINC000457397779 447572388 /nfs/dbraw/zinc/57/23/88/447572388.db2.gz WIAZALTWYZKTTR-HNNXBMFYSA-N 1 3 340.512 1.442 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503032 447572982 /nfs/dbraw/zinc/57/29/82/447572982.db2.gz JAWMQYLFHNJYJP-HUUCEWRRSA-N 1 3 341.496 1.821 20 0 EDADHO CC1(C)CN(C2(CNC(=O)C[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000427274947 447573798 /nfs/dbraw/zinc/57/37/98/447573798.db2.gz RFYBMORIYWHYFB-INIZCTEOSA-N 1 3 337.508 1.916 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459333277 447636741 /nfs/dbraw/zinc/63/67/41/447636741.db2.gz IIFYDMUKUBPWRY-ZDUSSCGKSA-N 1 3 334.464 1.584 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459333277 447636748 /nfs/dbraw/zinc/63/67/48/447636748.db2.gz IIFYDMUKUBPWRY-ZDUSSCGKSA-N 1 3 334.464 1.584 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000459163405 447602795 /nfs/dbraw/zinc/60/27/95/447602795.db2.gz LABVKXVQYHFRPU-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000459163405 447602799 /nfs/dbraw/zinc/60/27/99/447602799.db2.gz LABVKXVQYHFRPU-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000420127996 447621194 /nfs/dbraw/zinc/62/11/94/447621194.db2.gz SNHZRNWDZWTPHL-HOTGVXAUSA-N 1 3 338.496 1.097 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457800524 447634226 /nfs/dbraw/zinc/63/42/26/447634226.db2.gz UDCFMNFHHAVLPI-OALUTQOASA-N 1 3 349.519 1.963 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NCCCNCc2cccnc2)CC1 ZINC000422613402 447669472 /nfs/dbraw/zinc/66/94/72/447669472.db2.gz WTYZMBYEVUWFAL-UHFFFAOYSA-N 1 3 333.480 1.733 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000416801911 447687591 /nfs/dbraw/zinc/68/75/91/447687591.db2.gz HGAWVYAWFFTSQV-GOSISDBHSA-N 1 3 348.491 1.829 20 0 EDADHO CC[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000417005549 447729349 /nfs/dbraw/zinc/72/93/49/447729349.db2.gz DMWNTFZDQJPQKX-OLMNPRSZSA-N 1 3 330.476 1.812 20 0 EDADHO CC[C@H](CNC(=O)NC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000417009293 447729658 /nfs/dbraw/zinc/72/96/58/447729658.db2.gz KEGCUYJZPHCJGM-GOSISDBHSA-N 1 3 330.476 1.875 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000429138194 447730329 /nfs/dbraw/zinc/73/03/29/447730329.db2.gz DXLDCZVOGABIJO-MAUKXSAKSA-N 1 3 330.476 1.638 20 0 EDADHO N[C@H](CC1CCCCC1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422776384 447747093 /nfs/dbraw/zinc/74/70/93/447747093.db2.gz DJXHWRJCLJUUKS-MRXNPFEDSA-N 1 3 331.464 1.727 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422851403 447769607 /nfs/dbraw/zinc/76/96/07/447769607.db2.gz FMCQCBPCKMIAIB-QCQGSNGOSA-N 1 3 325.403 1.885 20 0 EDADHO O=C(C1CCC1)N1CCN(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422952385 447779534 /nfs/dbraw/zinc/77/95/34/447779534.db2.gz AXFOBNSONILMRP-IPMKNSEASA-N 1 3 348.535 1.441 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000422977475 447786160 /nfs/dbraw/zinc/78/61/60/447786160.db2.gz FNFIYXNPPSZGGL-DOTOQJQBSA-N 1 3 335.448 1.140 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H](C[NH3+])C1 ZINC000430930406 447788025 /nfs/dbraw/zinc/78/80/25/447788025.db2.gz ALIWYTQAWUZGMA-WMZOPIPTSA-N 1 3 344.503 1.436 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423079717 447801120 /nfs/dbraw/zinc/80/11/20/447801120.db2.gz YSPIFTSJNSKRAI-DGCLKSJQSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(Br)cc1)C1CNC1 ZINC000423079717 447801123 /nfs/dbraw/zinc/80/11/23/447801123.db2.gz YSPIFTSJNSKRAI-DGCLKSJQSA-N 1 3 327.266 1.798 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497102441 447856703 /nfs/dbraw/zinc/85/67/03/447856703.db2.gz YUBSCLPWUBZYLU-UHFFFAOYSA-N 1 3 340.512 1.564 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000487330575 447829483 /nfs/dbraw/zinc/82/94/83/447829483.db2.gz FIYGMTKQZXZMMQ-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000487330575 447829484 /nfs/dbraw/zinc/82/94/84/447829484.db2.gz FIYGMTKQZXZMMQ-OAHLLOKOSA-N 1 3 333.476 1.665 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489766480 447872970 /nfs/dbraw/zinc/87/29/70/447872970.db2.gz PSVJAJSOYYFFFT-YESZJQIVSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000570382552 447997990 /nfs/dbraw/zinc/99/79/90/447997990.db2.gz PAWKPXRSRAXVEA-CRAIPNDOSA-N 1 3 328.460 1.868 20 0 EDADHO CN1CC[C@@]2(CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008086 /nfs/dbraw/zinc/00/80/86/448008086.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 1 3 327.469 1.290 20 0 EDADHO CN1CC[C@@]2(CC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000497253175 448008090 /nfs/dbraw/zinc/00/80/90/448008090.db2.gz POEGLAKQWXPCGS-IAGOWNOFSA-N 1 3 327.469 1.290 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CCOC[C@H]3CCCO3)CC2)CC1 ZINC000570270702 447973337 /nfs/dbraw/zinc/97/33/37/447973337.db2.gz IGVYFEGJVTURKZ-LJQANCHMSA-N 1 3 339.524 1.674 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CCOC[C@H]3CCCO3)CC2)CC1 ZINC000570270702 447973340 /nfs/dbraw/zinc/97/33/40/447973340.db2.gz IGVYFEGJVTURKZ-LJQANCHMSA-N 1 3 339.524 1.674 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCOC[C@H]3CCCO3)CC2)CC1 ZINC000570270702 447973343 /nfs/dbraw/zinc/97/33/43/447973343.db2.gz IGVYFEGJVTURKZ-LJQANCHMSA-N 1 3 339.524 1.674 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531293685 448056413 /nfs/dbraw/zinc/05/64/13/448056413.db2.gz GVCWFZDBIITQFA-FQEVSTJZSA-N 1 3 345.487 1.424 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN(C)C)[C@H](C)C1 ZINC000497608329 448072791 /nfs/dbraw/zinc/07/27/91/448072791.db2.gz DGWKGQLZQMQSLJ-OWCLPIDISA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN(C)C)[C@H](C)C1 ZINC000497608329 448072797 /nfs/dbraw/zinc/07/27/97/448072797.db2.gz DGWKGQLZQMQSLJ-OWCLPIDISA-N 1 3 328.501 1.373 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000571053861 448101649 /nfs/dbraw/zinc/10/16/49/448101649.db2.gz ICUKMJOXKITRBF-OLZOCXBDSA-N 1 3 342.281 1.931 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000571053861 448101654 /nfs/dbraw/zinc/10/16/54/448101654.db2.gz ICUKMJOXKITRBF-OLZOCXBDSA-N 1 3 342.281 1.931 20 0 EDADHO C[C@H](NCCOCC[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000556078509 448104299 /nfs/dbraw/zinc/10/42/99/448104299.db2.gz OVVIESSDQFNXJW-ZDUSSCGKSA-N 1 3 329.466 1.287 20 0 EDADHO O=C(OCc1ccccc1)N1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000496994697 448105923 /nfs/dbraw/zinc/10/59/23/448105923.db2.gz GWQMQKPAVPGBEU-SFHVURJKSA-N 1 3 347.459 1.756 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000556093109 448106484 /nfs/dbraw/zinc/10/64/84/448106484.db2.gz NWAHRHGHRCWMLA-UHFFFAOYSA-N 1 3 327.476 1.990 20 0 EDADHO C[C@H](NC[C@H](O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000497052464 448157912 /nfs/dbraw/zinc/15/79/12/448157912.db2.gz HNYYHIGHIXHFGD-KBPBESRZSA-N 1 3 331.501 1.780 20 0 EDADHO COC[C@@]1(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871957 448158951 /nfs/dbraw/zinc/15/89/51/448158951.db2.gz MQRJOZCTKFZLHO-HKUYNNGSSA-N 1 3 346.475 1.178 20 0 EDADHO C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N(C)C1CC1 ZINC000531770778 448141768 /nfs/dbraw/zinc/14/17/68/448141768.db2.gz FKPJQILJSMCHED-COXVUDFISA-N 1 3 338.496 1.146 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000571817924 448211092 /nfs/dbraw/zinc/21/10/92/448211092.db2.gz CPOIROJPRGELHD-INIZCTEOSA-N 1 3 335.496 1.543 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000571817924 448211097 /nfs/dbraw/zinc/21/10/97/448211097.db2.gz CPOIROJPRGELHD-INIZCTEOSA-N 1 3 335.496 1.543 20 0 EDADHO CC1(C)CCC[N@@H+]1CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000572218696 448316329 /nfs/dbraw/zinc/31/63/29/448316329.db2.gz JXZXAUQCYPXUBG-HXUWFJFHSA-N 1 3 345.487 1.614 20 0 EDADHO CC1(C)CCC[N@H+]1CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000572218696 448316335 /nfs/dbraw/zinc/31/63/35/448316335.db2.gz JXZXAUQCYPXUBG-HXUWFJFHSA-N 1 3 345.487 1.614 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000572264116 448332299 /nfs/dbraw/zinc/33/22/99/448332299.db2.gz XCFXBZAWEIWOOM-BFHYXJOUSA-N 1 3 330.423 1.547 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162928 448400555 /nfs/dbraw/zinc/40/05/55/448400555.db2.gz NHVWZOAXJGMTMB-CRAIPNDOSA-N 1 3 349.475 1.258 20 0 EDADHO C[C@H](NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585287 448414506 /nfs/dbraw/zinc/41/45/06/448414506.db2.gz JDXLMCRTMPAOCL-OXJNMPFZSA-N 1 3 347.503 1.716 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000566610757 448518751 /nfs/dbraw/zinc/51/87/51/448518751.db2.gz XOUYQVCABCPHAH-NJAFHUGGSA-N 1 3 346.475 1.409 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000517107569 448538846 /nfs/dbraw/zinc/53/88/46/448538846.db2.gz LHWVVEJPSDQAHU-MRXNPFEDSA-N 1 3 338.496 1.415 20 0 EDADHO CN1CC=C(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612288 /nfs/dbraw/zinc/61/22/88/448612288.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 1 3 329.444 1.002 20 0 EDADHO CN1CC=C(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612294 /nfs/dbraw/zinc/61/22/94/448612294.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 1 3 329.444 1.002 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000584828960 448647266 /nfs/dbraw/zinc/64/72/66/448647266.db2.gz QGPCQWAOPRWAOI-CVEARBPZSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](OCc1ccc(F)cc1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574007677 448768032 /nfs/dbraw/zinc/76/80/32/448768032.db2.gz KLPFYBYNZVUHNB-HNNXBMFYSA-N 1 3 339.455 1.683 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000579260289 448756570 /nfs/dbraw/zinc/75/65/70/448756570.db2.gz KSCGHYSZYBDWRH-AEFFLSMTSA-N 1 3 332.492 1.800 20 0 EDADHO COc1cccc(OC)c1OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579662489 448842645 /nfs/dbraw/zinc/84/26/45/448842645.db2.gz KCIAHKMDBLEBBC-SOUVJXGZSA-N 1 3 338.448 1.516 20 0 EDADHO COc1cccc(OC)c1OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000579662489 448842652 /nfs/dbraw/zinc/84/26/52/448842652.db2.gz KCIAHKMDBLEBBC-SOUVJXGZSA-N 1 3 338.448 1.516 20 0 EDADHO NCC(F)(F)CC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000519826287 448853484 /nfs/dbraw/zinc/85/34/84/448853484.db2.gz HQXDWQSWUTZEHL-UHFFFAOYSA-N 1 3 340.418 1.080 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000579932101 448911924 /nfs/dbraw/zinc/91/19/24/448911924.db2.gz OLTKAWWOEBKOLJ-IBGZPJMESA-N 1 3 342.443 1.173 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)CNC4)C2)C1 ZINC000579932101 448911931 /nfs/dbraw/zinc/91/19/31/448911931.db2.gz OLTKAWWOEBKOLJ-IBGZPJMESA-N 1 3 342.443 1.173 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000521029733 448947427 /nfs/dbraw/zinc/94/74/27/448947427.db2.gz ORLBEUWHGSFYSR-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO Cc1ccc(NC(=O)CCNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000569110951 448963026 /nfs/dbraw/zinc/96/30/26/448963026.db2.gz KCGVLXAYQDGKQX-SJORKVTESA-N 1 3 346.475 1.686 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)(N2CCOCC2)CC1 ZINC000574869682 448974259 /nfs/dbraw/zinc/97/42/59/448974259.db2.gz YREYYKYESHAQQS-SFHVURJKSA-N 1 3 339.524 1.314 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000521583079 448996965 /nfs/dbraw/zinc/99/69/65/448996965.db2.gz BBCKHKMCSCZZNZ-GJZGRUSLSA-N 1 3 332.448 1.830 20 0 EDADHO CCc1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000574987980 449007245 /nfs/dbraw/zinc/00/72/45/449007245.db2.gz YRXYDXFXEPNZMC-UHFFFAOYSA-N 1 3 327.498 1.971 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956852 449078034 /nfs/dbraw/zinc/07/80/34/449078034.db2.gz ZZQBHNWZYIXIGD-RDJZCZTQSA-N 1 3 341.459 1.752 20 0 EDADHO COC(=O)CCN1CCC[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895727 449238896 /nfs/dbraw/zinc/23/88/96/449238896.db2.gz TYIBKJMZECPTLJ-JKSUJKDBSA-N 1 3 337.464 1.005 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H]1C ZINC000600683170 449491037 /nfs/dbraw/zinc/49/10/37/449491037.db2.gz SIHCVGLOMSEHLI-WMHQRMGPSA-N 1 3 335.452 1.270 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccnn1-c1ccccc1 ZINC000617506903 449656086 /nfs/dbraw/zinc/65/60/86/449656086.db2.gz BWYLKCBQLWCAQA-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccnn1-c1ccccc1 ZINC000617506903 449656092 /nfs/dbraw/zinc/65/60/92/449656092.db2.gz BWYLKCBQLWCAQA-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nnc(C(C)(C)C)s1 ZINC000617507250 449656549 /nfs/dbraw/zinc/65/65/49/449656549.db2.gz OAPAVVHQQHBULY-LBPRGKRZSA-N 1 3 341.525 1.837 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nnc(C(C)(C)C)s1 ZINC000617507250 449656556 /nfs/dbraw/zinc/65/65/56/449656556.db2.gz OAPAVVHQQHBULY-LBPRGKRZSA-N 1 3 341.525 1.837 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(CO)c(F)c1 ZINC000617507510 449659299 /nfs/dbraw/zinc/65/92/99/449659299.db2.gz ZLPWESGDJPHVAV-ZDUSSCGKSA-N 1 3 325.428 1.320 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(CO)c(F)c1 ZINC000617507510 449659304 /nfs/dbraw/zinc/65/93/04/449659304.db2.gz ZLPWESGDJPHVAV-ZDUSSCGKSA-N 1 3 325.428 1.320 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000617504174 449646005 /nfs/dbraw/zinc/64/60/05/449646005.db2.gz JAIXASDHCFXJIX-ZDUSSCGKSA-N 1 3 333.436 1.672 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000617504174 449646007 /nfs/dbraw/zinc/64/60/07/449646007.db2.gz JAIXASDHCFXJIX-ZDUSSCGKSA-N 1 3 333.436 1.672 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000617765071 449827208 /nfs/dbraw/zinc/82/72/08/449827208.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901518 449934029 /nfs/dbraw/zinc/93/40/29/449934029.db2.gz GCVXXYJEAPVOTO-IEBWSBKVSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613284892 450117928 /nfs/dbraw/zinc/11/79/28/450117928.db2.gz JPCZFGCRTQPWOU-LJQANCHMSA-N 1 3 347.503 1.636 20 0 EDADHO CN(C)CCOCCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613284892 450117929 /nfs/dbraw/zinc/11/79/29/450117929.db2.gz JPCZFGCRTQPWOU-LJQANCHMSA-N 1 3 347.503 1.636 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650551 450559725 /nfs/dbraw/zinc/55/97/25/450559725.db2.gz MCCSQUVLDZTYQS-UONOGXRCSA-N 1 3 329.452 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650551 450559727 /nfs/dbraw/zinc/55/97/27/450559727.db2.gz MCCSQUVLDZTYQS-UONOGXRCSA-N 1 3 329.452 1.165 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000621154704 450604086 /nfs/dbraw/zinc/60/40/86/450604086.db2.gz QMWHEEZQRMYKJP-IBGZPJMESA-N 1 3 344.503 1.655 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635056835 450610856 /nfs/dbraw/zinc/61/08/56/450610856.db2.gz LJVQUROGTGZVKI-UHFFFAOYSA-N 1 3 347.463 1.375 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332498 450654806 /nfs/dbraw/zinc/65/48/06/450654806.db2.gz BHTOVMXJJBFLQS-OWCLPIDISA-N 1 3 338.496 1.014 20 0 EDADHO CC(C)[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000629553888 450733655 /nfs/dbraw/zinc/73/36/55/450733655.db2.gz DCMLWQRQZDQGAU-ZWKOTPCHSA-N 1 3 332.492 1.335 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCc3cccc(CN)c32)CC1 ZINC000629561407 450736048 /nfs/dbraw/zinc/73/60/48/450736048.db2.gz UHRIUKXZLVUKKS-UHFFFAOYSA-N 1 3 344.503 1.887 20 0 EDADHO CC[C@H]1CCCCN1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962206 450919453 /nfs/dbraw/zinc/91/94/53/450919453.db2.gz FNSRLPWIXPKWLK-INIZCTEOSA-N 1 3 331.526 1.656 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000632016885 450971334 /nfs/dbraw/zinc/97/13/34/450971334.db2.gz GLNMVJSVXOORHI-MRXNPFEDSA-N 1 3 329.510 1.220 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(F)cc3C(N)=O)CC2)CC[NH2+]1 ZINC000622004996 450983329 /nfs/dbraw/zinc/98/33/29/450983329.db2.gz XMAWGNLUKJVEAM-KGLIPLIRSA-N 1 3 334.439 1.435 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCCN2CCCC2)C1 ZINC000632046520 450997664 /nfs/dbraw/zinc/99/76/64/450997664.db2.gz MQXOTNQRAFHVIF-MRXNPFEDSA-N 1 3 331.526 1.466 20 0 EDADHO CCN(CC[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000626970841 451042373 /nfs/dbraw/zinc/04/23/73/451042373.db2.gz VQPWQCTWZWASRI-UHFFFAOYSA-N 1 3 334.464 1.134 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000626992752 451058603 /nfs/dbraw/zinc/05/86/03/451058603.db2.gz DIFUMVKCSBGBBF-XHSDSOJGSA-N 1 3 326.510 1.065 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000622144321 451065208 /nfs/dbraw/zinc/06/52/08/451065208.db2.gz VISQOTNNXVXAPE-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CC[NH2+]C1 ZINC000627023527 451087857 /nfs/dbraw/zinc/08/78/57/451087857.db2.gz WQCNPSDHTCFLMJ-PNESKVBLSA-N 1 3 334.386 1.453 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000627033367 451091440 /nfs/dbraw/zinc/09/14/40/451091440.db2.gz HYOALZAMQOFZDH-RDJZCZTQSA-N 1 3 336.480 1.521 20 0 EDADHO CN(C)CCn1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)cn1 ZINC000630518847 451230010 /nfs/dbraw/zinc/23/00/10/451230010.db2.gz WQYAWVSDNFAMJP-UHFFFAOYSA-N 1 3 335.496 1.829 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638127321 451298883 /nfs/dbraw/zinc/29/88/83/451298883.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 1 3 346.519 1.636 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638127321 451298891 /nfs/dbraw/zinc/29/88/91/451298891.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 1 3 346.519 1.636 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578169 451319414 /nfs/dbraw/zinc/31/94/14/451319414.db2.gz DQJJCSFZLNXHTB-RHSMWYFYSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578169 451319420 /nfs/dbraw/zinc/31/94/20/451319420.db2.gz DQJJCSFZLNXHTB-RHSMWYFYSA-N 1 3 346.479 1.898 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CC[NH2+]1 ZINC000638210721 451357192 /nfs/dbraw/zinc/35/71/92/451357192.db2.gz MCSIXKRRHOBZGD-TZMCWYRMSA-N 1 3 345.447 1.174 20 0 EDADHO CO[C@H](CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184631 451344997 /nfs/dbraw/zinc/34/49/97/451344997.db2.gz ZGEMSGFGURBNSP-XMTFNYHQSA-N 1 3 326.481 1.612 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638288028 451405061 /nfs/dbraw/zinc/40/50/61/451405061.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 1 3 332.492 1.244 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638288028 451405064 /nfs/dbraw/zinc/40/50/64/451405064.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 1 3 332.492 1.244 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638367731 451464610 /nfs/dbraw/zinc/46/46/10/451464610.db2.gz GRGBRNOFSCAWJD-RYUDHWBXSA-N 1 3 333.436 1.159 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638378383 451473679 /nfs/dbraw/zinc/47/36/79/451473679.db2.gz OMJIQULAEYIISF-UHFFFAOYSA-N 1 3 345.491 1.052 20 0 EDADHO O=C1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCCN1 ZINC000638386886 451479370 /nfs/dbraw/zinc/47/93/70/451479370.db2.gz SBVMLPDIMSHPNR-SFHVURJKSA-N 1 3 344.503 1.847 20 0 EDADHO O[C@@]1(CNCCOC[C@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704709 451480355 /nfs/dbraw/zinc/48/03/55/451480355.db2.gz OJJCTLLACSYSNK-RBUKOAKNSA-N 1 3 334.460 1.266 20 0 EDADHO O[C@@]1(CNCCOC[C@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704709 451480360 /nfs/dbraw/zinc/48/03/60/451480360.db2.gz OJJCTLLACSYSNK-RBUKOAKNSA-N 1 3 334.460 1.266 20 0 EDADHO OC[C@H](CN1CCCCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722611 451502425 /nfs/dbraw/zinc/50/24/25/451502425.db2.gz RRLBDMOAAVTUJB-PMACEKPBSA-N 1 3 347.503 1.060 20 0 EDADHO OC[C@H](CN1CCCCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722611 451502430 /nfs/dbraw/zinc/50/24/30/451502430.db2.gz RRLBDMOAAVTUJB-PMACEKPBSA-N 1 3 347.503 1.060 20 0 EDADHO C[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729539 451510215 /nfs/dbraw/zinc/51/02/15/451510215.db2.gz NZUGDTZPQPQHQA-XJKSGUPXSA-N 1 3 340.489 1.238 20 0 EDADHO C[C@@H](CNC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729539 451510219 /nfs/dbraw/zinc/51/02/19/451510219.db2.gz NZUGDTZPQPQHQA-XJKSGUPXSA-N 1 3 340.489 1.238 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000638526750 451558640 /nfs/dbraw/zinc/55/86/40/451558640.db2.gz PAPYCQBJTCLTBV-CQSZACIVSA-N 1 3 332.448 1.306 20 0 EDADHO C[NH+]1CCC(CCNCc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631064145 451563253 /nfs/dbraw/zinc/56/32/53/451563253.db2.gz KQYFKHKDPMHLGA-UHFFFAOYSA-N 1 3 345.896 1.809 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)n2)CC1 ZINC000632940865 451661719 /nfs/dbraw/zinc/66/17/19/451661719.db2.gz RIQCHTINPTTYBU-CQSZACIVSA-N 1 3 348.495 2.050 20 0 EDADHO CN(C)CCn1cc(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000638881516 451718050 /nfs/dbraw/zinc/71/80/50/451718050.db2.gz WAYKHMDXMFEHKP-QGZVFWFLSA-N 1 3 329.448 1.135 20 0 EDADHO NCc1ccc2c(c1)N(C(=O)c1ccc3c(c1)CC[NH2+]CC3)CCO2 ZINC000638804977 451696816 /nfs/dbraw/zinc/69/68/16/451696816.db2.gz GHFDZEZEAOZOMH-UHFFFAOYSA-N 1 3 337.423 1.873 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000638861980 451713815 /nfs/dbraw/zinc/71/38/15/451713815.db2.gz JCICDDTVHXLGMC-HNNXBMFYSA-N 1 3 325.522 1.949 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCc3ccc(C[NH3+])cc3)cn2)CC1 ZINC000632961042 451670473 /nfs/dbraw/zinc/67/04/73/451670473.db2.gz NKZYCLOWVARZNA-UHFFFAOYSA-N 1 3 342.447 1.930 20 0 EDADHO C[C@@H](NC(=O)NCCN1CC[C@@H](O)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000637137840 451738042 /nfs/dbraw/zinc/73/80/42/451738042.db2.gz USZUMLSAJPUQSC-DJIMGWMZSA-N 1 3 334.464 1.044 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCCN2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151127 451741402 /nfs/dbraw/zinc/74/14/02/451741402.db2.gz XPJDZCIHTUPMPA-BPQIPLTHSA-N 1 3 346.475 1.015 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[NH2+]C1CC1 ZINC000637330327 451790814 /nfs/dbraw/zinc/79/08/14/451790814.db2.gz UTQJJIIUMRUMIF-UHFFFAOYSA-N 1 3 340.418 1.790 20 0 EDADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000642113224 451823750 /nfs/dbraw/zinc/82/37/50/451823750.db2.gz MHCYALXMNJVLTF-RDJZCZTQSA-N 1 3 346.475 1.039 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308867 451986274 /nfs/dbraw/zinc/98/62/74/451986274.db2.gz DIKZHSNGLDTSBC-GJZGRUSLSA-N 1 3 337.489 1.312 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000649308836 451986571 /nfs/dbraw/zinc/98/65/71/451986571.db2.gz APUUVNYUDKBBTE-BWTSREIZSA-N 1 3 343.471 1.489 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000649321887 452002171 /nfs/dbraw/zinc/00/21/71/452002171.db2.gz SYJAHHKXOGWMKV-POAQFYNOSA-N 1 3 345.487 1.924 20 0 EDADHO CCN1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637666462 452008451 /nfs/dbraw/zinc/00/84/51/452008451.db2.gz CNYUXYXGLLZHHV-UHFFFAOYSA-N 1 3 334.468 1.709 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC(C[NH+](C)C)CC3)cn2)CC1 ZINC000637668663 452009825 /nfs/dbraw/zinc/00/98/25/452009825.db2.gz MGEXEEQJTMKVEE-UHFFFAOYSA-N 1 3 348.495 1.955 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649350492 452033817 /nfs/dbraw/zinc/03/38/17/452033817.db2.gz IEUGDGASUYBQTE-PIIMJCKOSA-N 1 3 328.460 1.228 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351775 452036065 /nfs/dbraw/zinc/03/60/65/452036065.db2.gz RDXDIKFQIIBCOS-GFCCVEGCSA-N 1 3 339.390 1.017 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)C3CCC([NH3+])CC3)CC2)nc1 ZINC000649374353 452049287 /nfs/dbraw/zinc/04/92/87/452049287.db2.gz QJAQREQAMFPIET-UHFFFAOYSA-N 1 3 345.491 1.309 20 0 EDADHO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000649374048 452049400 /nfs/dbraw/zinc/04/94/00/452049400.db2.gz JZAHIKZXDXUESK-MRXNPFEDSA-N 1 3 333.480 1.165 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637804687 452092666 /nfs/dbraw/zinc/09/26/66/452092666.db2.gz SABUIZOOJXWYCT-GOSISDBHSA-N 1 3 339.439 1.700 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763459 452103986 /nfs/dbraw/zinc/10/39/86/452103986.db2.gz QSMIDBWCGGUKBH-WOJBJXKFSA-N 1 3 347.503 1.012 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763459 452103990 /nfs/dbraw/zinc/10/39/90/452103990.db2.gz QSMIDBWCGGUKBH-WOJBJXKFSA-N 1 3 347.503 1.012 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121609 /nfs/dbraw/zinc/12/16/09/452121609.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 1 3 327.538 1.610 20 0 EDADHO O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000647538264 452270927 /nfs/dbraw/zinc/27/09/27/452270927.db2.gz KMOGYQMAGRXKKM-QGZVFWFLSA-N 1 3 337.489 1.892 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659453274 452302810 /nfs/dbraw/zinc/30/28/10/452302810.db2.gz IVBBQSBWLVPJOW-RRFJBIMHSA-N 1 3 328.476 1.968 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000659453274 452302821 /nfs/dbraw/zinc/30/28/21/452302821.db2.gz IVBBQSBWLVPJOW-RRFJBIMHSA-N 1 3 328.476 1.968 20 0 EDADHO CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC000663585243 452310270 /nfs/dbraw/zinc/31/02/70/452310270.db2.gz FUDLCIBCONDHDY-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757202 452323885 /nfs/dbraw/zinc/32/38/85/452323885.db2.gz BEBYCJHREJAFHG-DLBZAZTESA-N 1 3 342.528 1.717 20 0 EDADHO CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757202 452323890 /nfs/dbraw/zinc/32/38/90/452323890.db2.gz BEBYCJHREJAFHG-DLBZAZTESA-N 1 3 342.528 1.717 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000665759491 452327958 /nfs/dbraw/zinc/32/79/58/452327958.db2.gz ITZZJAOQEKWTBO-DOTOQJQBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000665759491 452327970 /nfs/dbraw/zinc/32/79/70/452327970.db2.gz ITZZJAOQEKWTBO-DOTOQJQBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000665758833 452329114 /nfs/dbraw/zinc/32/91/14/452329114.db2.gz QQFCEBMHUVHFEM-INIZCTEOSA-N 1 3 342.528 1.643 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(O)CCCCCC1 ZINC000665758833 452329120 /nfs/dbraw/zinc/32/91/20/452329120.db2.gz QQFCEBMHUVHFEM-INIZCTEOSA-N 1 3 342.528 1.643 20 0 EDADHO C[C@@H](O)C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762581 452341221 /nfs/dbraw/zinc/34/12/21/452341221.db2.gz JECFUXDASDAIPI-GVDBMIGSSA-N 1 3 342.528 1.593 20 0 EDADHO C[C@@H](O)C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762581 452341231 /nfs/dbraw/zinc/34/12/31/452341231.db2.gz JECFUXDASDAIPI-GVDBMIGSSA-N 1 3 342.528 1.593 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccccc1N1CCOCC1 ZINC000657573647 452342993 /nfs/dbraw/zinc/34/29/93/452342993.db2.gz NIMAXNLZUWJJQU-SFHVURJKSA-N 1 3 348.535 1.885 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCN2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000652154829 452346884 /nfs/dbraw/zinc/34/68/84/452346884.db2.gz PLABEXQDQLORDX-OWCLPIDISA-N 1 3 326.485 1.256 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066338 452369377 /nfs/dbraw/zinc/36/93/77/452369377.db2.gz GSFSODWNQRKFFO-SFHVURJKSA-N 1 3 332.492 1.246 20 0 EDADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCCN(CC3CCCCC3)CC2)C1 ZINC000638075153 452387419 /nfs/dbraw/zinc/38/74/19/452387419.db2.gz GORAPTHDPJXPME-IEBWSBKVSA-N 1 3 337.508 1.868 20 0 EDADHO CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000638080239 452396876 /nfs/dbraw/zinc/39/68/76/452396876.db2.gz SXRQMYWTJPIACC-PKOBYXMFSA-N 1 3 344.503 1.576 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000655680201 452507368 /nfs/dbraw/zinc/50/73/68/452507368.db2.gz JOKXMGHTACDUCW-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CCN1CCN([C@@H](C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655690064 452513393 /nfs/dbraw/zinc/51/33/93/452513393.db2.gz UDEJWWJUSBSORB-PKOBYXMFSA-N 1 3 338.540 1.245 20 0 EDADHO CCCN(CCC)C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347219 452524060 /nfs/dbraw/zinc/52/40/60/452524060.db2.gz VYJVUUIXTXFYOT-YESZJQIVSA-N 1 3 325.497 1.853 20 0 EDADHO Cc1cccc2nc(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647804557 452536674 /nfs/dbraw/zinc/53/66/74/452536674.db2.gz URBNTTXEDPWSBH-OKZBNKHCSA-N 1 3 328.460 1.932 20 0 EDADHO C[NH+]1CCC(CN[C@@H]2CCCn3ccnc32)(N2CCOCC2)CC1 ZINC000655777240 452571611 /nfs/dbraw/zinc/57/16/11/452571611.db2.gz QKILZTSPWJKEIC-MRXNPFEDSA-N 1 3 333.480 1.104 20 0 EDADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000659699528 452584550 /nfs/dbraw/zinc/58/45/50/452584550.db2.gz WJAMMZNOUZHCIG-MRXNPFEDSA-N 1 3 346.475 1.135 20 0 EDADHO COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881738 452590389 /nfs/dbraw/zinc/59/03/89/452590389.db2.gz YROGIARKRZVAMX-ZWKOTPCHSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc(OCCN(C)C)c1 ZINC000655828119 452599077 /nfs/dbraw/zinc/59/90/77/452599077.db2.gz AKGUDGPOFNMCJB-HOCLYGCPSA-N 1 3 343.475 1.964 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](CN)C(F)(F)F)C1 ZINC000655921765 452683982 /nfs/dbraw/zinc/68/39/82/452683982.db2.gz PNVSTLXWYFLSCO-RYUDHWBXSA-N 1 3 340.390 1.018 20 0 EDADHO COC1([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCC1 ZINC000658034325 452696564 /nfs/dbraw/zinc/69/65/64/452696564.db2.gz KWGWEBCOSIMTGB-MRXNPFEDSA-N 1 3 325.497 1.330 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCc1noc2ccccc12 ZINC000655939216 452707939 /nfs/dbraw/zinc/70/79/39/452707939.db2.gz MIDWVJXWNVZORI-AWEZNQCLSA-N 1 3 330.432 1.690 20 0 EDADHO CCN(C(=O)NC[C@H]1CCCN1CCOC)[C@@H]1CC[N@H+](CC)C1 ZINC000664066296 452760210 /nfs/dbraw/zinc/76/02/10/452760210.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(C(=O)NC[C@H]1CCCN1CCOC)[C@@H]1CC[N@@H+](CC)C1 ZINC000664066296 452760213 /nfs/dbraw/zinc/76/02/13/452760213.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076815 452771828 /nfs/dbraw/zinc/77/18/28/452771828.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 1 3 341.544 1.432 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664077949 452772674 /nfs/dbraw/zinc/77/26/74/452772674.db2.gz VNKVTCDPGHGBBR-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654665458 452778637 /nfs/dbraw/zinc/77/86/37/452778637.db2.gz ISMMUPDRWWDKTI-GASCZTMLSA-N 1 3 347.463 1.262 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000645824357 452820099 /nfs/dbraw/zinc/82/00/99/452820099.db2.gz ZUIOEFPUPORZFH-GASCZTMLSA-N 1 3 328.501 1.467 20 0 EDADHO CC1(C)CN[C@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119181 452836123 /nfs/dbraw/zinc/83/61/23/452836123.db2.gz XGBNFLFWLQJHTD-OCCSQVGLSA-N 1 3 334.489 1.612 20 0 EDADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167943 452878767 /nfs/dbraw/zinc/87/87/67/452878767.db2.gz JUCUUANELNCDTQ-HKUYNNGSSA-N 1 3 339.483 1.958 20 0 EDADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167943 452878777 /nfs/dbraw/zinc/87/87/77/452878777.db2.gz JUCUUANELNCDTQ-HKUYNNGSSA-N 1 3 339.483 1.958 20 0 EDADHO NC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000648177942 452890169 /nfs/dbraw/zinc/89/01/69/452890169.db2.gz COSBMAFWYOXAQZ-ZWKOTPCHSA-N 1 3 339.414 1.575 20 0 EDADHO CN(C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)nc2ncnn21 ZINC000664247334 452927436 /nfs/dbraw/zinc/92/74/36/452927436.db2.gz KDGRJEKSELEYFI-UHFFFAOYSA-N 1 3 345.373 1.439 20 0 EDADHO CN(C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)nc2ncnn21 ZINC000664247334 452927441 /nfs/dbraw/zinc/92/74/41/452927441.db2.gz KDGRJEKSELEYFI-UHFFFAOYSA-N 1 3 345.373 1.439 20 0 EDADHO COc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000656194186 452953074 /nfs/dbraw/zinc/95/30/74/452953074.db2.gz BZGPCCUBLPDZHR-UKRRQHHQSA-N 1 3 333.432 1.306 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)ccc1CN(C)C ZINC000658429753 452960943 /nfs/dbraw/zinc/96/09/43/452960943.db2.gz WFDDHEGBCZLBRT-AWEZNQCLSA-N 1 3 334.464 1.452 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCOCC1 ZINC000664288574 452967891 /nfs/dbraw/zinc/96/78/91/452967891.db2.gz SOKQIMHDGIAPEM-DOTOQJQBSA-N 1 3 342.528 1.763 20 0 EDADHO CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCOCC1 ZINC000664288574 452967896 /nfs/dbraw/zinc/96/78/96/452967896.db2.gz SOKQIMHDGIAPEM-DOTOQJQBSA-N 1 3 342.528 1.763 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664303095 452981087 /nfs/dbraw/zinc/98/10/87/452981087.db2.gz KVEJLIGBLIMNGH-HNNXBMFYSA-N 1 3 328.501 1.515 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000662274113 453001533 /nfs/dbraw/zinc/00/15/33/453001533.db2.gz DGMSFBRSJAOTSV-QGZVFWFLSA-N 1 3 337.489 1.559 20 0 EDADHO CCCCOCCNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295564 453017898 /nfs/dbraw/zinc/01/78/98/453017898.db2.gz GWPCOOOVLRWTOO-KRWDZBQOSA-N 1 3 325.497 1.631 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297857 453020015 /nfs/dbraw/zinc/02/00/15/453020015.db2.gz SLQFDLBZXRZOFI-CQSZACIVSA-N 1 3 347.488 1.671 20 0 EDADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665018 453052086 /nfs/dbraw/zinc/05/20/86/453052086.db2.gz RTXJJTZGELIWPS-OAHLLOKOSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665018 453052095 /nfs/dbraw/zinc/05/20/95/453052095.db2.gz RTXJJTZGELIWPS-OAHLLOKOSA-N 1 3 338.496 1.149 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086137 /nfs/dbraw/zinc/08/61/37/453086137.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H]1CN(CC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086143 /nfs/dbraw/zinc/08/61/43/453086143.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H]1CN(CC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C[C@@H](C)O1 ZINC000660155216 453086149 /nfs/dbraw/zinc/08/61/49/453086149.db2.gz NBLMLGFDTCGZQF-MKXGPGLRSA-N 1 3 338.540 1.053 20 0 EDADHO C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000660156854 453090934 /nfs/dbraw/zinc/09/09/34/453090934.db2.gz SCZJMAIVEAJXSA-MTHXSQLBSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000660156854 453090940 /nfs/dbraw/zinc/09/09/40/453090940.db2.gz SCZJMAIVEAJXSA-MTHXSQLBSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000660156854 453090950 /nfs/dbraw/zinc/09/09/50/453090950.db2.gz SCZJMAIVEAJXSA-MTHXSQLBSA-N 1 3 348.535 1.392 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000644161762 453092433 /nfs/dbraw/zinc/09/24/33/453092433.db2.gz CSVQLFCGVLDSIW-RRFJBIMHSA-N 1 3 341.377 1.714 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662428542 453135168 /nfs/dbraw/zinc/13/51/68/453135168.db2.gz FMLFGYPSIAYTEO-GJZGRUSLSA-N 1 3 333.480 1.871 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CNC4)CC2)C1 ZINC000662463452 453172424 /nfs/dbraw/zinc/17/24/24/453172424.db2.gz ZXYNRTOPPRVIRA-MRXNPFEDSA-N 1 3 328.460 1.142 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CNC4)CC2)C1 ZINC000662463452 453172438 /nfs/dbraw/zinc/17/24/38/453172438.db2.gz ZXYNRTOPPRVIRA-MRXNPFEDSA-N 1 3 328.460 1.142 20 0 EDADHO [NH3+]Cc1ccc(OCc2cn(CCCN3CCSCC3)nn2)cc1 ZINC000656450252 453192309 /nfs/dbraw/zinc/19/23/09/453192309.db2.gz PFKNHBZPGJLHJW-UHFFFAOYSA-N 1 3 347.488 1.755 20 0 EDADHO COC1CCN(CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000646180824 453192605 /nfs/dbraw/zinc/19/26/05/453192605.db2.gz DCTIYDFIVYFUJE-UHFFFAOYSA-N 1 3 331.460 1.215 20 0 EDADHO CN1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198888 /nfs/dbraw/zinc/19/88/88/453198888.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 1 3 345.487 1.568 20 0 EDADHO CN1CCCN(C(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198898 /nfs/dbraw/zinc/19/88/98/453198898.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 1 3 345.487 1.568 20 0 EDADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000646213547 453226675 /nfs/dbraw/zinc/22/66/75/453226675.db2.gz YYLDBPCQYCAAEY-CQSZACIVSA-N 1 3 347.463 1.332 20 0 EDADHO COc1ccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N2CCCC2)cc1 ZINC000653105114 453288303 /nfs/dbraw/zinc/28/83/03/453288303.db2.gz GMICRPJZXZCUBG-ZWKOTPCHSA-N 1 3 348.491 1.227 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666973709 453290696 /nfs/dbraw/zinc/29/06/96/453290696.db2.gz YTABWIVNFFZXHE-IAGOWNOFSA-N 1 3 338.496 1.412 20 0 EDADHO Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664658925 453293463 /nfs/dbraw/zinc/29/34/63/453293463.db2.gz HPMSIHWLLSPTMG-RYUDHWBXSA-N 1 3 342.513 1.479 20 0 EDADHO Cc1nnc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664658925 453293475 /nfs/dbraw/zinc/29/34/75/453293475.db2.gz HPMSIHWLLSPTMG-RYUDHWBXSA-N 1 3 342.513 1.479 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000653122695 453313035 /nfs/dbraw/zinc/31/30/35/453313035.db2.gz AYKSPWKTHNQJDZ-WMZOPIPTSA-N 1 3 332.492 1.388 20 0 EDADHO CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666996103 453320523 /nfs/dbraw/zinc/32/05/23/453320523.db2.gz JPPDZZGWPPAUJX-AWEZNQCLSA-N 1 3 338.500 1.937 20 0 EDADHO CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666996103 453320529 /nfs/dbraw/zinc/32/05/29/453320529.db2.gz JPPDZZGWPPAUJX-AWEZNQCLSA-N 1 3 338.500 1.937 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653152208 453339374 /nfs/dbraw/zinc/33/93/74/453339374.db2.gz FLZYNUCTVOYFFE-ZWKOTPCHSA-N 1 3 328.460 1.945 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000662636246 453351997 /nfs/dbraw/zinc/35/19/97/453351997.db2.gz AJZLDCPVCPHZSJ-YJBOKZPZSA-N 1 3 330.476 1.798 20 0 EDADHO N[C@@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653183778 453373576 /nfs/dbraw/zinc/37/35/76/453373576.db2.gz JPLFGGIYZHTHDK-MHORFTMASA-N 1 3 331.460 1.821 20 0 EDADHO CC(C)N1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662672825 453388553 /nfs/dbraw/zinc/38/85/53/453388553.db2.gz FZNOGRNXLDUEFL-INIZCTEOSA-N 1 3 348.495 1.538 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OCCCO2 ZINC000651263701 453405501 /nfs/dbraw/zinc/40/55/01/453405501.db2.gz APNVQOMMYSTUOK-UHFFFAOYSA-N 1 3 335.448 1.413 20 0 EDADHO COc1cc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)ccc1OCCN(C)C ZINC000662693921 453414609 /nfs/dbraw/zinc/41/46/09/453414609.db2.gz VFJJKJVBMKDZIK-QGZVFWFLSA-N 1 3 349.475 1.640 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000667138225 453430321 /nfs/dbraw/zinc/43/03/21/453430321.db2.gz MUPUVUBEVWSWEB-UHFFFAOYSA-N 1 3 328.420 1.370 20 0 EDADHO CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)[C@H]1CCN(CC)C1 ZINC000658820096 453435407 /nfs/dbraw/zinc/43/54/07/453435407.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)[C@H]1CCN(CC)C1 ZINC000658820096 453435418 /nfs/dbraw/zinc/43/54/18/453435418.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662717925 453441992 /nfs/dbraw/zinc/44/19/92/453441992.db2.gz DVABZGUNBBZGMD-NRSFXHEJSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@@]1(CN2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787692 453448210 /nfs/dbraw/zinc/44/82/10/453448210.db2.gz RUEVVWQVAFLBCB-JTDSTZFVSA-N 1 3 327.428 1.103 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662726198 453452518 /nfs/dbraw/zinc/45/25/18/453452518.db2.gz FRHOUVHHRBDMGO-OQIJWPOYSA-N 1 3 345.487 1.862 20 0 EDADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667173173 453453148 /nfs/dbraw/zinc/45/31/48/453453148.db2.gz PDYSGSSOXUVTEB-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO Cc1cc(NC(=O)COCC[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000646542132 453461023 /nfs/dbraw/zinc/46/10/23/453461023.db2.gz WCHBGNMUDVLVNO-UHFFFAOYSA-N 1 3 334.464 1.439 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCSC1 ZINC000664903038 453472892 /nfs/dbraw/zinc/47/28/92/453472892.db2.gz ATMDINBLBNHYSB-GJZGRUSLSA-N 1 3 330.542 1.701 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCSC1 ZINC000664903038 453472900 /nfs/dbraw/zinc/47/29/00/453472900.db2.gz ATMDINBLBNHYSB-GJZGRUSLSA-N 1 3 330.542 1.701 20 0 EDADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)n1 ZINC000662748622 453478634 /nfs/dbraw/zinc/47/86/34/453478634.db2.gz CHMGQKIHUYXLBZ-CYBMUJFWSA-N 1 3 335.452 1.335 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000660711458 453539753 /nfs/dbraw/zinc/53/97/53/453539753.db2.gz ZWHXOKRHJWHAJC-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO Cc1c(C(=O)N[C@H]2CCCN3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838721 453563842 /nfs/dbraw/zinc/56/38/42/453563842.db2.gz NXEFTPRJBDXUOD-JKSUJKDBSA-N 1 3 346.479 1.258 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000662857689 453574260 /nfs/dbraw/zinc/57/42/60/453574260.db2.gz CEPRJASWEJIAJS-JCGIZDLHSA-N 1 3 331.460 1.258 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNCC3)CCO1 ZINC000659018325 453582783 /nfs/dbraw/zinc/58/27/83/453582783.db2.gz PEUQGIINMKMTBB-GOSISDBHSA-N 1 3 346.475 1.907 20 0 EDADHO O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@H](N2CC=CC2)C1 ZINC000659035430 453591726 /nfs/dbraw/zinc/59/17/26/453591726.db2.gz KJONJWXVOOMJDI-ZWKOTPCHSA-N 1 3 342.443 1.826 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038771 453593005 /nfs/dbraw/zinc/59/30/05/453593005.db2.gz CHLKLEFATKGMQV-IAGOWNOFSA-N 1 3 332.448 1.953 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659038771 453593008 /nfs/dbraw/zinc/59/30/08/453593008.db2.gz CHLKLEFATKGMQV-IAGOWNOFSA-N 1 3 332.448 1.953 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900701 453593948 /nfs/dbraw/zinc/59/39/48/453593948.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 1 3 344.503 1.487 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900701 453593952 /nfs/dbraw/zinc/59/39/52/453593952.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 1 3 344.503 1.487 20 0 EDADHO CN(C(=O)[C@](C)(N)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900701 453593954 /nfs/dbraw/zinc/59/39/54/453593954.db2.gz OIODDCLGYWOLHA-UYAOXDASSA-N 1 3 344.503 1.487 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886709 453632009 /nfs/dbraw/zinc/63/20/09/453632009.db2.gz HAUWYCGVDYBWJK-KDOFPFPSSA-N 1 3 334.508 1.890 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659100280 453632638 /nfs/dbraw/zinc/63/26/38/453632638.db2.gz PMQOSDAYKXRSFK-UHFFFAOYSA-N 1 3 348.447 1.083 20 0 EDADHO [NH3+]C1(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)Cc2ccccc2C1 ZINC000659365359 453729792 /nfs/dbraw/zinc/72/97/92/453729792.db2.gz GWEVUIQYVYINQQ-GOSISDBHSA-N 1 3 337.423 1.782 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2nc3c(s2)CNCC3)C1 ZINC000663498439 453810506 /nfs/dbraw/zinc/81/05/06/453810506.db2.gz SRCRIYWVDFJTBD-VHDGCEQUSA-N 1 3 336.505 1.650 20 0 EDADHO Nc1ncc(CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663513736 453813441 /nfs/dbraw/zinc/81/34/41/453813441.db2.gz VRFUMFNLOCVGIF-GFCCVEGCSA-N 1 3 347.492 1.238 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000672699748 486768653 /nfs/dbraw/zinc/76/86/53/486768653.db2.gz FLLFCNXVAAFMAC-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC(N3CCNC3=O)CC2)cc1 ZINC000676460555 486774761 /nfs/dbraw/zinc/77/47/61/486774761.db2.gz GIVFDFVQFWILBX-UHFFFAOYSA-N 1 3 346.475 1.617 20 0 EDADHO c1cc(CN2CCC(C[NH+]3CCOCC3)CC2)n(-c2ccncc2)n1 ZINC000667501140 486812529 /nfs/dbraw/zinc/81/25/29/486812529.db2.gz OJDAIAGGMMQUAS-UHFFFAOYSA-N 1 3 341.459 1.812 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683849796 486839906 /nfs/dbraw/zinc/83/99/06/486839906.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683849796 486839910 /nfs/dbraw/zinc/83/99/10/486839910.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667641687 486894208 /nfs/dbraw/zinc/89/42/08/486894208.db2.gz ZPRGMLQJQBORFV-HZPDHXFCSA-N 1 3 348.495 1.688 20 0 EDADHO CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C[C@@H]1CCOC1 ZINC000681208997 486973448 /nfs/dbraw/zinc/97/34/48/486973448.db2.gz QUUUBBVEUZBXJR-WMZOPIPTSA-N 1 3 333.476 1.764 20 0 EDADHO CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C[C@@H]1CCOC1 ZINC000681208997 486973452 /nfs/dbraw/zinc/97/34/52/486973452.db2.gz QUUUBBVEUZBXJR-WMZOPIPTSA-N 1 3 333.476 1.764 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684195540 486979423 /nfs/dbraw/zinc/97/94/23/486979423.db2.gz AYXVFTLKNNWUGN-QGZVFWFLSA-N 1 3 346.523 1.415 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(C[C@@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684201999 486983416 /nfs/dbraw/zinc/98/34/16/486983416.db2.gz ZRSBZMBLHOYJLJ-KRWDZBQOSA-N 1 3 346.523 1.415 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000673560092 487061520 /nfs/dbraw/zinc/06/15/20/487061520.db2.gz KVUIQXPATCUDOK-OAHLLOKOSA-N 1 3 349.479 1.163 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000673560092 487061523 /nfs/dbraw/zinc/06/15/23/487061523.db2.gz KVUIQXPATCUDOK-OAHLLOKOSA-N 1 3 349.479 1.163 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000673671102 487085297 /nfs/dbraw/zinc/08/52/97/487085297.db2.gz VWUPZXUXOYZCEV-GOSISDBHSA-N 1 3 344.503 1.609 20 0 EDADHO O=C([C@H]1CN2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863560 487184905 /nfs/dbraw/zinc/18/49/05/487184905.db2.gz PRXCGRYPZGCATD-LJQANCHMSA-N 1 3 348.535 1.491 20 0 EDADHO C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044884 487221202 /nfs/dbraw/zinc/22/12/02/487221202.db2.gz RVZMCIPDWLKINU-MAUKXSAKSA-N 1 3 331.460 1.775 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000681926812 487252358 /nfs/dbraw/zinc/25/23/58/487252358.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000681926812 487252363 /nfs/dbraw/zinc/25/23/63/487252363.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000669573901 485609005 /nfs/dbraw/zinc/60/90/05/485609005.db2.gz FEQJLHWSBUWPTB-UHFFFAOYSA-N 1 3 348.413 1.843 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000669139205 485728985 /nfs/dbraw/zinc/72/89/85/485728985.db2.gz IELIYEAROOVGLC-UHFFFAOYSA-N 1 3 334.464 1.650 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669236500 485846269 /nfs/dbraw/zinc/84/62/69/485846269.db2.gz OGVHCBPCUUBAOF-ARJAWSKDSA-N 1 3 345.491 1.138 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345443645 485975128 /nfs/dbraw/zinc/97/51/28/485975128.db2.gz ZVJDGKVYDZBYOE-KURKYZTESA-N 1 3 337.508 1.676 20 0 EDADHO CCN1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000430798158 486084363 /nfs/dbraw/zinc/08/43/63/486084363.db2.gz SCFLUCLZZAPFTG-CZUORRHYSA-N 1 3 334.468 1.005 20 0 EDADHO CC[C@H]1CN(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC[C@H]1[NH3+] ZINC000669469588 486221164 /nfs/dbraw/zinc/22/11/64/486221164.db2.gz ZTHMEAYRFCJHIK-GOEBONIOSA-N 1 3 340.512 1.645 20 0 EDADHO CC[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669496424 486270636 /nfs/dbraw/zinc/27/06/36/486270636.db2.gz NHECAVRMMAFJBH-QAPCUYQASA-N 1 3 344.503 1.854 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000128235099 491017288 /nfs/dbraw/zinc/01/72/88/491017288.db2.gz XGCUYZGQGWLDOO-MRXNPFEDSA-N 1 3 343.479 1.341 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000168750514 534327962 /nfs/dbraw/zinc/32/79/62/534327962.db2.gz ORDOYXBAJDXUTQ-SFHVURJKSA-N 1 3 348.422 1.152 20 0 EDADHO COC[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000353300716 536539133 /nfs/dbraw/zinc/53/91/33/536539133.db2.gz STUSLGKAZSJINB-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000339318843 536545105 /nfs/dbraw/zinc/54/51/05/536545105.db2.gz RKVNXZJSKCHQBQ-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000339318843 536545113 /nfs/dbraw/zinc/54/51/13/536545113.db2.gz RKVNXZJSKCHQBQ-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000237195310 536545754 /nfs/dbraw/zinc/54/57/54/536545754.db2.gz BXCNXGATKJWPPY-MAUKXSAKSA-N 1 3 333.476 1.940 20 0 EDADHO CC(C)N(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261803703 535025337 /nfs/dbraw/zinc/02/53/37/535025337.db2.gz HEPRNFTZJBBHOA-INIZCTEOSA-N 1 3 333.480 1.213 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237187072 535915643 /nfs/dbraw/zinc/91/56/43/535915643.db2.gz ARXDWXQALOWVEZ-INIZCTEOSA-N 1 3 331.460 1.633 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1=O ZINC000270084068 535935115 /nfs/dbraw/zinc/93/51/15/535935115.db2.gz JEBVCAYFDFOEIV-QGZVFWFLSA-N 1 3 346.475 1.755 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1=O ZINC000270084068 535935123 /nfs/dbraw/zinc/93/51/23/535935123.db2.gz JEBVCAYFDFOEIV-QGZVFWFLSA-N 1 3 346.475 1.755 20 0 EDADHO CN(C)Cc1cnc(CNCCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000352867790 536056703 /nfs/dbraw/zinc/05/67/03/536056703.db2.gz KNCUODBNDKKOEW-UHFFFAOYSA-N 1 3 325.526 1.320 20 0 EDADHO CN(C)Cc1cnc(CNCCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000352867790 536056707 /nfs/dbraw/zinc/05/67/07/536056707.db2.gz KNCUODBNDKKOEW-UHFFFAOYSA-N 1 3 325.526 1.320 20 0 EDADHO C[N@H+](CCOc1cccc(CNC(=O)C(C)(C)N)c1)C1CCOCC1 ZINC000237189582 536400659 /nfs/dbraw/zinc/40/06/59/536400659.db2.gz ZCDOODRCQUJELO-UHFFFAOYSA-N 1 3 349.475 1.530 20 0 EDADHO C[N@@H+](CCOc1cccc(CNC(=O)C(C)(C)N)c1)C1CCOCC1 ZINC000237189582 536400663 /nfs/dbraw/zinc/40/06/63/536400663.db2.gz ZCDOODRCQUJELO-UHFFFAOYSA-N 1 3 349.475 1.530 20 0 EDADHO COc1cc(C)nc(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000347144151 536689302 /nfs/dbraw/zinc/68/93/02/536689302.db2.gz XKLFBDLSGHMVFH-OAHLLOKOSA-N 1 3 332.448 1.042 20 0 EDADHO COc1cc(C)nc(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 ZINC000347144151 536689306 /nfs/dbraw/zinc/68/93/06/536689306.db2.gz XKLFBDLSGHMVFH-OAHLLOKOSA-N 1 3 332.448 1.042 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C1 ZINC000346661142 536775168 /nfs/dbraw/zinc/77/51/68/536775168.db2.gz ONIYUFSCACYJNW-HRCADAONSA-N 1 3 326.485 1.079 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1 ZINC000347314409 536777247 /nfs/dbraw/zinc/77/72/47/536777247.db2.gz RCYZNEVNARIXJS-ARFHVFGLSA-N 1 3 342.528 1.713 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000339858385 536783946 /nfs/dbraw/zinc/78/39/46/536783946.db2.gz FNSQAHHEWLHOSB-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cnc3ccccc3c2)C1 ZINC000729683932 578587361 /nfs/dbraw/zinc/58/73/61/578587361.db2.gz HBIFIGKZDGMWSK-KRWDZBQOSA-N 1 3 326.444 1.912 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC(C)(C)CO)CC1 ZINC000731532511 578675794 /nfs/dbraw/zinc/67/57/94/578675794.db2.gz PHBRAUCRWWEMNN-UHFFFAOYSA-N 1 3 333.476 1.436 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCC1 ZINC000745906919 579567336 /nfs/dbraw/zinc/56/73/36/579567336.db2.gz TVKXJAYFZQOPEH-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCOC1CCC1 ZINC000745906919 579567337 /nfs/dbraw/zinc/56/73/37/579567337.db2.gz TVKXJAYFZQOPEH-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086494 580158606 /nfs/dbraw/zinc/15/86/06/580158606.db2.gz MAAWQSBDSKAQGE-ZBFHGGJFSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000766086494 580158607 /nfs/dbraw/zinc/15/86/07/580158607.db2.gz MAAWQSBDSKAQGE-ZBFHGGJFSA-N 1 3 334.468 1.393 20 0 EDADHO O=C(CN[C@@H](CCO)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000771798106 580294293 /nfs/dbraw/zinc/29/42/93/580294293.db2.gz FCPAUBAXQZRIMS-IBGZPJMESA-N 1 3 345.487 1.649 20 0 EDADHO CO[C@H]1Cc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2C1 ZINC000784460935 580621404 /nfs/dbraw/zinc/62/14/04/580621404.db2.gz JBLMKZQRRPNOII-SFHVURJKSA-N 1 3 348.491 1.757 20 0 EDADHO C[NH+]1CCC(O)(CNC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000893042532 590631475 /nfs/dbraw/zinc/63/14/75/590631475.db2.gz TZEJOXLWMUFTOV-UHFFFAOYSA-N 1 3 333.432 1.054 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980438 590722043 /nfs/dbraw/zinc/72/20/43/590722043.db2.gz VIBYHTFXQDISSW-ROUUACIJSA-N 1 3 330.476 1.868 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[NH2+]CCC12CCC2 ZINC000892118797 590809515 /nfs/dbraw/zinc/80/95/15/590809515.db2.gz JARQXUWGCHXXKV-KRWDZBQOSA-N 1 3 328.460 1.801 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892227158 590873316 /nfs/dbraw/zinc/87/33/16/590873316.db2.gz NNHBTLSAQRLZMW-LJQANCHMSA-N 1 3 338.455 1.920 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000892233748 590878419 /nfs/dbraw/zinc/87/84/19/590878419.db2.gz UTWGKRBNMQVFHA-HNNXBMFYSA-N 1 3 331.464 1.691 20 0 EDADHO [NH3+][C@@H](CCNC(=O)NC[C@@H]1CCCN1CCCO)Cc1ccccc1 ZINC000892407915 591015012 /nfs/dbraw/zinc/01/50/12/591015012.db2.gz JAIQXVOLNGAYLF-ROUUACIJSA-N 1 3 348.491 1.093 20 0 EDADHO CCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000891529221 591108428 /nfs/dbraw/zinc/10/84/28/591108428.db2.gz QCULTVKKZKGLBX-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891529458 591109077 /nfs/dbraw/zinc/10/90/77/591109077.db2.gz QGZQOVLIJNFVFT-YJBOKZPZSA-N 1 3 338.496 1.460 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538918 591112752 /nfs/dbraw/zinc/11/27/52/591112752.db2.gz WVYJUZAJJIGPRO-HOTGVXAUSA-N 1 3 338.496 1.319 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3C)CC1 ZINC000892687843 591130803 /nfs/dbraw/zinc/13/08/03/591130803.db2.gz YFPBSRNKMFPJGL-DLBZAZTESA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639015 591162118 /nfs/dbraw/zinc/16/21/18/591162118.db2.gz OWYYXWBBNYEUTO-DLBZAZTESA-N 1 3 342.553 1.830 20 0 EDADHO CCCN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1CC[NH2+]CC1 ZINC000892788387 591178564 /nfs/dbraw/zinc/17/85/64/591178564.db2.gz DLHYISSNVSXRRA-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CN1Cc1ccccc1 ZINC000891673247 591179399 /nfs/dbraw/zinc/17/93/99/591179399.db2.gz IPXJOPCFUPSSRP-WOGUSJMUSA-N 1 3 342.487 1.900 20 0 EDADHO CCOC(=O)c1nnc(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)[n-]1 ZINC000894063242 591181533 /nfs/dbraw/zinc/18/15/33/591181533.db2.gz KSFWIXCNFFSZED-UHFFFAOYSA-N 1 3 335.452 1.503 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000895665588 591245985 /nfs/dbraw/zinc/24/59/85/591245985.db2.gz DIWKWZQSNIXRMO-ULQDDVLXSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000893010880 591254906 /nfs/dbraw/zinc/25/49/06/591254906.db2.gz JOQIPRQORKAPBU-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000893010880 591254910 /nfs/dbraw/zinc/25/49/10/591254910.db2.gz JOQIPRQORKAPBU-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000894377794 591295189 /nfs/dbraw/zinc/29/51/89/591295189.db2.gz HBNUKDFLVKHIOM-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CN1CCC(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424864 591308419 /nfs/dbraw/zinc/30/84/19/591308419.db2.gz AODAFIFOOUUBBF-IRXDYDNUSA-N 1 3 339.480 1.698 20 0 EDADHO CN1CCC(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424864 591308422 /nfs/dbraw/zinc/30/84/22/591308422.db2.gz AODAFIFOOUUBBF-IRXDYDNUSA-N 1 3 339.480 1.698 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c2c(nn1C)CCOC2 ZINC000894456859 591316353 /nfs/dbraw/zinc/31/63/53/591316353.db2.gz STQMGHSJPOAPEX-INIZCTEOSA-N 1 3 349.523 1.341 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c2c(nn1C)CCOC2 ZINC000894456859 591316356 /nfs/dbraw/zinc/31/63/56/591316356.db2.gz STQMGHSJPOAPEX-INIZCTEOSA-N 1 3 349.523 1.341 20 0 EDADHO CN(C)[S@](C)(=O)=NCC1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000898401594 591341654 /nfs/dbraw/zinc/34/16/54/591341654.db2.gz UZSQDUVWSBELBS-JOCHJYFZSA-N 1 3 330.542 1.615 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000896427932 591463625 /nfs/dbraw/zinc/46/36/25/591463625.db2.gz ISIXYMZKJPMSHI-HZPDHXFCSA-N 1 3 327.538 1.391 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000909436109 591567347 /nfs/dbraw/zinc/56/73/47/591567347.db2.gz DXGDQNPSYJNSAO-SFHVURJKSA-N 1 3 338.540 1.734 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000909436109 591567349 /nfs/dbraw/zinc/56/73/49/591567349.db2.gz DXGDQNPSYJNSAO-SFHVURJKSA-N 1 3 338.540 1.734 20 0 EDADHO OC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCC2(CC1)OCCO2 ZINC000896688783 591576204 /nfs/dbraw/zinc/57/62/04/591576204.db2.gz TUGWGXOJMKMBLV-UHFFFAOYSA-N 1 3 347.459 1.688 20 0 EDADHO CN(C(=O)[C@H]1CCN1C(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896987971 591705355 /nfs/dbraw/zinc/70/53/55/591705355.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@H]1CCN1C(C)(C)C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000896987971 591705358 /nfs/dbraw/zinc/70/53/58/591705358.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 1 3 336.524 1.486 20 0 EDADHO CN(C(=O)[C@H]1CCN1C(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000896987971 591705360 /nfs/dbraw/zinc/70/53/60/591705360.db2.gz HKCIOJHVEWOQDU-IAGOWNOFSA-N 1 3 336.524 1.486 20 0 EDADHO C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897352283 591887639 /nfs/dbraw/zinc/88/76/39/591887639.db2.gz HAKGMUKLDFLLQH-CVEARBPZSA-N 1 3 349.519 1.866 20 0 EDADHO C[C@@H](NC(=O)C1CN(C2CCOCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000897352283 591887643 /nfs/dbraw/zinc/88/76/43/591887643.db2.gz HAKGMUKLDFLLQH-CVEARBPZSA-N 1 3 349.519 1.866 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179575 591930216 /nfs/dbraw/zinc/93/02/16/591930216.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179575 591930219 /nfs/dbraw/zinc/93/02/19/591930219.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000903131873 592123921 /nfs/dbraw/zinc/12/39/21/592123921.db2.gz XGZXWYNEVBCKJO-JONQDZQNSA-N 1 3 333.480 1.838 20 0 EDADHO CCc1nn(C)c(Cl)c1CN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903443873 592173068 /nfs/dbraw/zinc/17/30/68/592173068.db2.gz LJVSPEIHPFGGNL-KGLIPLIRSA-N 1 3 339.915 1.881 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470828 592175210 /nfs/dbraw/zinc/17/52/10/592175210.db2.gz DQQHINULKZEDPN-IRXDYDNUSA-N 1 3 330.476 1.280 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903476245 592176139 /nfs/dbraw/zinc/17/61/39/592176139.db2.gz RPAKRUFAMZVMEH-HYVNUMGLSA-N 1 3 326.400 1.535 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493671 592186133 /nfs/dbraw/zinc/18/61/33/592186133.db2.gz ZKMLCFZACYOUBZ-RCJHGTSTSA-N 1 3 345.443 1.028 20 0 EDADHO Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508563 592189330 /nfs/dbraw/zinc/18/93/30/592189330.db2.gz LRYIMGMWIPYUMO-CALCHBBNSA-N 1 3 339.487 1.974 20 0 EDADHO Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508563 592189332 /nfs/dbraw/zinc/18/93/32/592189332.db2.gz LRYIMGMWIPYUMO-CALCHBBNSA-N 1 3 339.487 1.974 20 0 EDADHO Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508563 592189334 /nfs/dbraw/zinc/18/93/34/592189334.db2.gz LRYIMGMWIPYUMO-CALCHBBNSA-N 1 3 339.487 1.974 20 0 EDADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnc(N3CCCC3)nc1)CC2 ZINC000904389075 592241798 /nfs/dbraw/zinc/24/17/98/592241798.db2.gz GQBRZDZNQUOJEE-MRXNPFEDSA-N 1 3 331.464 1.407 20 0 EDADHO CCNC(=O)COc1ccc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cc1OC ZINC000904412559 592251191 /nfs/dbraw/zinc/25/11/91/592251191.db2.gz WIHJJXZDBUXGQX-GOEBONIOSA-N 1 3 349.475 1.627 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000904512368 592274743 /nfs/dbraw/zinc/27/47/43/592274743.db2.gz ZRXYEQOPJWKYKI-IAGOWNOFSA-N 1 3 348.447 1.087 20 0 EDADHO CC(C)CNC(=O)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722660 592283638 /nfs/dbraw/zinc/28/36/38/592283638.db2.gz CRXMWPGFXZSEBS-QGZVFWFLSA-N 1 3 337.508 1.629 20 0 EDADHO Cn1cc(C(=O)NCC2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903727616 592285868 /nfs/dbraw/zinc/28/58/68/592285868.db2.gz VZEAVXAZQYMRPQ-MRXNPFEDSA-N 1 3 333.480 1.252 20 0 EDADHO Cc1nc(CN2CCC[C@H](N(C)C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738993 592300522 /nfs/dbraw/zinc/30/05/22/592300522.db2.gz AMYPTOBDHUSOCE-LZLYRXPVSA-N 1 3 349.479 1.043 20 0 EDADHO COC(=O)c1ccc(CN2CCC(O)(C[NH3+])CC2)c2ncccc12 ZINC000903761348 592307286 /nfs/dbraw/zinc/30/72/86/592307286.db2.gz QMLONOLGUXVKHP-UHFFFAOYSA-N 1 3 329.400 1.307 20 0 EDADHO CN(C)S(=O)(=O)CCCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793343 592316031 /nfs/dbraw/zinc/31/60/31/592316031.db2.gz AXKRATLYPZNIGV-UHFFFAOYSA-N 1 3 339.505 1.260 20 0 EDADHO COc1ccc([C@@H]2CNCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781862 592320855 /nfs/dbraw/zinc/32/08/55/592320855.db2.gz CAKKQQFXQMVORR-GBESFXJTSA-N 1 3 331.460 1.410 20 0 EDADHO NCC1([C@@H]2CCCC[N@@H+]2C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810556 592331071 /nfs/dbraw/zinc/33/10/71/592331071.db2.gz DWJSXEDVUROECN-IKGGRYGDSA-N 1 3 326.481 1.526 20 0 EDADHO NCC1([C@@H]2CCCC[N@H+]2C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810556 592331077 /nfs/dbraw/zinc/33/10/77/592331077.db2.gz DWJSXEDVUROECN-IKGGRYGDSA-N 1 3 326.481 1.526 20 0 EDADHO Cc1noc(C[C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824433 592334620 /nfs/dbraw/zinc/33/46/20/592334620.db2.gz QPFRNYWWIFRFNQ-JKSUJKDBSA-N 1 3 334.464 1.791 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(CCCO)Cc2ccccc2)cnn1C ZINC000903890733 592352574 /nfs/dbraw/zinc/35/25/74/592352574.db2.gz GPOLFADEZTXQAB-GOSISDBHSA-N 1 3 330.476 1.731 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC(Cn3cccn3)CC2)cnn1C ZINC000903893636 592365529 /nfs/dbraw/zinc/36/55/29/592365529.db2.gz XSJGPGVXKOULBM-QGZVFWFLSA-N 1 3 330.480 1.455 20 0 EDADHO COc1ccc(CC[NH2+]C[C@@H](CN)Cc2cnn(C)c2C)cc1F ZINC000903920836 592378492 /nfs/dbraw/zinc/37/84/92/592378492.db2.gz MHRKVNPIJPHVHJ-OAHLLOKOSA-N 1 3 334.439 1.826 20 0 EDADHO COc1ccc(CCNC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903920836 592378497 /nfs/dbraw/zinc/37/84/97/592378497.db2.gz MHRKVNPIJPHVHJ-OAHLLOKOSA-N 1 3 334.439 1.826 20 0 EDADHO C[C@H]1CN(Cc2cccc(C[NH2+]C[C@@H](N)CC(F)F)c2)CCO1 ZINC000903924666 592379094 /nfs/dbraw/zinc/37/90/94/592379094.db2.gz GOISJZWCYLEYJE-BBRMVZONSA-N 1 3 327.419 1.979 20 0 EDADHO c1cc(CN2CCC([NH2+][C@H]3CNCC4(CCOCC4)C3)CC2)ccn1 ZINC000903975298 592398788 /nfs/dbraw/zinc/39/87/88/592398788.db2.gz ZJUMNTUQOIEQRE-LJQANCHMSA-N 1 3 344.503 1.794 20 0 EDADHO c1cc(CN2CCC(N[C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)ccn1 ZINC000903975298 592398793 /nfs/dbraw/zinc/39/87/93/592398793.db2.gz ZJUMNTUQOIEQRE-LJQANCHMSA-N 1 3 344.503 1.794 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905072936 592402156 /nfs/dbraw/zinc/40/21/56/592402156.db2.gz UAZGYFDCHQHELL-UFYCRDLUSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905072936 592402160 /nfs/dbraw/zinc/40/21/60/592402160.db2.gz UAZGYFDCHQHELL-UFYCRDLUSA-N 1 3 348.487 1.391 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000908319967 592432313 /nfs/dbraw/zinc/43/23/13/592432313.db2.gz ZIRQYBTXCGUGQT-HKUYNNGSSA-N 1 3 347.459 1.039 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1 ZINC000908319967 592432315 /nfs/dbraw/zinc/43/23/15/592432315.db2.gz ZIRQYBTXCGUGQT-HKUYNNGSSA-N 1 3 347.459 1.039 20 0 EDADHO C[C@]1(CNC[C@H](O)C[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244003 592474313 /nfs/dbraw/zinc/47/43/13/592474313.db2.gz OEIZNTACRZHBOR-AQNXPRMDSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@H](O)C[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905244003 592474317 /nfs/dbraw/zinc/47/43/17/592474317.db2.gz OEIZNTACRZHBOR-AQNXPRMDSA-N 1 3 348.487 1.391 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000905248352 592475920 /nfs/dbraw/zinc/47/59/20/592475920.db2.gz TUDFTRCVYGNMHR-GFCCVEGCSA-N 1 3 347.372 1.551 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905293932 592486689 /nfs/dbraw/zinc/48/66/89/592486689.db2.gz BWZCSHSYTWUTNA-LBPRGKRZSA-N 1 3 347.372 1.551 20 0 EDADHO C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333934 592508850 /nfs/dbraw/zinc/50/88/50/592508850.db2.gz MPJQBAGVWZSPLT-HLLBOEOZSA-N 1 3 343.537 1.653 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)N1CCCCC1 ZINC000907090032 592516094 /nfs/dbraw/zinc/51/60/94/592516094.db2.gz HOQRCPVFCOSGKP-IXDOHACOSA-N 1 3 337.508 1.961 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@@H](O)c3ccccn3)C2)[C@@H]1C(C)C ZINC000905503663 592546717 /nfs/dbraw/zinc/54/67/17/592546717.db2.gz RNDCBIZCDIHFNT-QQXKLLMISA-N 1 3 333.476 1.574 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@@H](O)c3ccccn3)C2)[C@@H]1C(C)C ZINC000905503663 592546719 /nfs/dbraw/zinc/54/67/19/592546719.db2.gz RNDCBIZCDIHFNT-QQXKLLMISA-N 1 3 333.476 1.574 20 0 EDADHO N[C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)Cc1cc(F)c(F)cc1F ZINC000911708319 592992341 /nfs/dbraw/zinc/99/23/41/592992341.db2.gz VVPGHZZSYJIAIL-CMPLNLGQSA-N 1 3 329.366 1.480 20 0 EDADHO C[NH2+]CC1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1 ZINC000911778783 593003493 /nfs/dbraw/zinc/00/34/93/593003493.db2.gz KZIFNFKFZAPFEU-CYBMUJFWSA-N 1 3 343.393 1.822 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000911811195 593015610 /nfs/dbraw/zinc/01/56/10/593015610.db2.gz RHMCXMZFMIQGIE-JLSDUUJJSA-N 1 3 329.444 1.818 20 0 EDADHO C[C@@H]1CN(C(=O)/C=C\c2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000911819671 593016335 /nfs/dbraw/zinc/01/63/35/593016335.db2.gz QBCGLBAKUJFIMJ-XUCFMKDRSA-N 1 3 331.460 1.836 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000911832291 593018752 /nfs/dbraw/zinc/01/87/52/593018752.db2.gz FOYKUZSOHHARPF-FHFUJXRGSA-N 1 3 331.460 1.884 20 0 EDADHO CN1CCC[N@H+](CCCNCc2cnc(C3OCCO3)s2)CC1 ZINC000812831591 593510338 /nfs/dbraw/zinc/51/03/38/593510338.db2.gz ZKUYHKCEUYRGHP-UHFFFAOYSA-N 1 3 340.493 1.306 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2cnc(C3OCCO3)s2)CC1 ZINC000812831591 593510339 /nfs/dbraw/zinc/51/03/39/593510339.db2.gz ZKUYHKCEUYRGHP-UHFFFAOYSA-N 1 3 340.493 1.306 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@](C)(O)c3ccccc3)CC2)CC1 ZINC000817529244 593609759 /nfs/dbraw/zinc/60/97/59/593609759.db2.gz VKDNXBAXEHYDMV-FQEVSTJZSA-N 1 3 345.487 1.569 20 0 EDADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896835 593646715 /nfs/dbraw/zinc/64/67/15/593646715.db2.gz WBIVZPOFFFKVCT-HONMWMINSA-N 1 3 326.824 1.732 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052846 593735849 /nfs/dbraw/zinc/73/58/49/593735849.db2.gz FNDJRQUDEHLOCD-KDOFPFPSSA-N 1 3 339.430 1.756 20 0 EDADHO Cc1ccccc1[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000819366119 593751953 /nfs/dbraw/zinc/75/19/53/593751953.db2.gz JOVABLGBNDKYLF-IBGZPJMESA-N 1 3 347.503 1.415 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)ccn1 ZINC000822861222 594112998 /nfs/dbraw/zinc/11/29/98/594112998.db2.gz BLEXWSOYECNHQU-CXAGYDPISA-N 1 3 329.404 1.539 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCCCCCC[NH3+])CC1 ZINC000831275524 594597271 /nfs/dbraw/zinc/59/72/71/594597271.db2.gz WHPROSVYFFOSOD-UHFFFAOYSA-N 1 3 327.517 1.221 20 0 EDADHO CCc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841009520 594838643 /nfs/dbraw/zinc/83/86/43/594838643.db2.gz MULCNNTZLAPDDT-SFHVURJKSA-N 1 3 344.503 1.568 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841018634 594840176 /nfs/dbraw/zinc/84/01/76/594840176.db2.gz YZEBFHVXAJFRQB-KRWDZBQOSA-N 1 3 347.463 1.020 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000841287587 594881835 /nfs/dbraw/zinc/88/18/35/594881835.db2.gz FDDNZZOFBNZRJS-HOCLYGCPSA-N 1 3 334.420 1.009 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000841790279 594953376 /nfs/dbraw/zinc/95/33/76/594953376.db2.gz BNCFFYQQAKNNBS-IAGOWNOFSA-N 1 3 332.448 1.020 20 0 EDADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847575 594964727 /nfs/dbraw/zinc/96/47/27/594964727.db2.gz TWMPQYPUAVSARI-DYVFJYSZSA-N 1 3 345.443 1.922 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928647 594983560 /nfs/dbraw/zinc/98/35/60/594983560.db2.gz QPTOULFSIURDKF-INIZCTEOSA-N 1 3 347.507 1.013 20 0 EDADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386033 595096689 /nfs/dbraw/zinc/09/66/89/595096689.db2.gz BIKBHBADZIHIHL-JFIYKMOQSA-N 1 3 335.492 1.478 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442161 595124448 /nfs/dbraw/zinc/12/44/48/595124448.db2.gz QZQPHOJOKFWWKG-GOSISDBHSA-N 1 3 342.487 1.896 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)c(F)c1 ZINC000846176843 595165482 /nfs/dbraw/zinc/16/54/82/595165482.db2.gz IMTMKWNFJHNXIY-SFHVURJKSA-N 1 3 342.418 1.971 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000844162435 595287937 /nfs/dbraw/zinc/28/79/37/595287937.db2.gz QOIAERASUSVTBC-MSOLQXFVSA-N 1 3 333.476 1.954 20 0 EDADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc21 ZINC000852797740 595547888 /nfs/dbraw/zinc/54/78/88/595547888.db2.gz AKIDEEHYAOTLCZ-BZSNNMDCSA-N 1 3 343.471 1.658 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852863697 595583987 /nfs/dbraw/zinc/58/39/87/595583987.db2.gz QWBAKQSQKBHYPL-MRXNPFEDSA-N 1 3 332.448 1.461 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)C2=NO[C@@H](CN)C2)CC[N@@H+]1Cc1ccccc1 ZINC000852867568 595587807 /nfs/dbraw/zinc/58/78/07/595587807.db2.gz XTUYRMOXOARNPJ-HYVNUMGLSA-N 1 3 344.459 1.602 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)C2=NO[C@@H](CN)C2)CC[N@H+]1Cc1ccccc1 ZINC000852867568 595587810 /nfs/dbraw/zinc/58/78/10/595587810.db2.gz XTUYRMOXOARNPJ-HYVNUMGLSA-N 1 3 344.459 1.602 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873204 595592497 /nfs/dbraw/zinc/59/24/97/595592497.db2.gz QNRYFOWRFUKQGJ-IRXDYDNUSA-N 1 3 332.448 1.131 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000852906897 595609115 /nfs/dbraw/zinc/60/91/15/595609115.db2.gz WPVZGSALVJYDCH-BVGQSLNGSA-N 1 3 331.460 1.788 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000850724951 595612703 /nfs/dbraw/zinc/61/27/03/595612703.db2.gz WEJTVNQFBIHWQC-UHFFFAOYSA-N 1 3 343.475 1.784 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccnc1-n1cccn1 ZINC000855345940 595680376 /nfs/dbraw/zinc/68/03/76/595680376.db2.gz KVYSCLKOYHRZIX-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccnc1-n1cccn1 ZINC000855345940 595680379 /nfs/dbraw/zinc/68/03/79/595680379.db2.gz KVYSCLKOYHRZIX-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853307083 595732458 /nfs/dbraw/zinc/73/24/58/595732458.db2.gz JHRKMBZWQYNONW-SFHVURJKSA-N 1 3 331.464 1.702 20 0 EDADHO [NH3+]CCCCCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000851668237 595877345 /nfs/dbraw/zinc/87/73/45/595877345.db2.gz SUAJTDHJONQKNG-SFHVURJKSA-N 1 3 348.491 1.572 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115749 596160824 /nfs/dbraw/zinc/16/08/24/596160824.db2.gz SBDIHKYVSBKHNW-RDJZCZTQSA-N 1 3 333.480 1.815 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115748 596160881 /nfs/dbraw/zinc/16/08/81/596160881.db2.gz SBDIHKYVSBKHNW-DOTOQJQBSA-N 1 3 333.480 1.815 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CC[C@H]2CCc3ccccc32)C1 ZINC000866712826 596306002 /nfs/dbraw/zinc/30/60/02/596306002.db2.gz YKCYLAFKWUQHBT-ZAWLATJESA-N 1 3 341.455 1.973 20 0 EDADHO C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000863570690 596622070 /nfs/dbraw/zinc/62/20/70/596622070.db2.gz YUQSJDBASZAOKS-HZPDHXFCSA-N 1 3 332.492 1.435 20 0 EDADHO CCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c([O-])c1 ZINC000870019333 596710768 /nfs/dbraw/zinc/71/07/68/596710768.db2.gz FFHINUBYEPEFIR-HZPDHXFCSA-N 1 3 333.476 1.766 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228188 596735637 /nfs/dbraw/zinc/73/56/37/596735637.db2.gz BJMRTMWMZPXVSJ-YESZJQIVSA-N 1 3 344.459 1.430 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145442 596810567 /nfs/dbraw/zinc/81/05/67/596810567.db2.gz SOISBKZVHOOGSN-MWTISTBLSA-N 1 3 348.491 1.164 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)Cc1ccccc1 ZINC000874432753 597076689 /nfs/dbraw/zinc/07/66/89/597076689.db2.gz QSBHCPDWZQJCMV-TVRKMHQQSA-N 1 3 330.476 1.825 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000876202374 597131869 /nfs/dbraw/zinc/13/18/69/597131869.db2.gz MWYDADFQAMTUSV-WMZOPIPTSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000876202374 597131873 /nfs/dbraw/zinc/13/18/73/597131873.db2.gz MWYDADFQAMTUSV-WMZOPIPTSA-N 1 3 338.496 1.149 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N3CCC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000876513540 597225791 /nfs/dbraw/zinc/22/57/91/597225791.db2.gz FGYJATCBPDEWAF-ZDUSSCGKSA-N 1 3 345.447 1.114 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(CN)cnn2C)cc1 ZINC000876712999 597300421 /nfs/dbraw/zinc/30/04/21/597300421.db2.gz WJZWZUUVDYGOOO-UHFFFAOYSA-N 1 3 329.448 1.651 20 0 EDADHO Cn1ncc(CN)c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000876714428 597300970 /nfs/dbraw/zinc/30/09/70/597300970.db2.gz XTHVLBNTRMXBNG-UHFFFAOYSA-N 1 3 341.459 1.795 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCN1CCC(C)CC1 ZINC000876722814 597305388 /nfs/dbraw/zinc/30/53/88/597305388.db2.gz FNTZXCJSZSROMM-MRXNPFEDSA-N 1 3 333.480 1.578 20 0 EDADHO CN(C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876735495 597313165 /nfs/dbraw/zinc/31/31/65/597313165.db2.gz OVNXCLOLURBXFR-IBGZPJMESA-N 1 3 346.519 1.956 20 0 EDADHO CN(C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000876735495 597313170 /nfs/dbraw/zinc/31/31/70/597313170.db2.gz OVNXCLOLURBXFR-IBGZPJMESA-N 1 3 346.519 1.956 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782527 597338422 /nfs/dbraw/zinc/33/84/22/597338422.db2.gz WTVIYHBWWJOLJJ-FUHWJXTLSA-N 1 3 348.466 1.710 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876846682 597357741 /nfs/dbraw/zinc/35/77/41/597357741.db2.gz DVVBUCAFPSHJFH-BBRMVZONSA-N 1 3 325.403 1.664 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cccn1C1CC[NH2+]CC1 ZINC000877347712 597498143 /nfs/dbraw/zinc/49/81/43/597498143.db2.gz OPZXUQXXCQRXHI-KRWDZBQOSA-N 1 3 338.455 1.857 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CCNC3)C[C@@H]1C(F)(F)F ZINC000877355627 597499813 /nfs/dbraw/zinc/49/98/13/597499813.db2.gz NZGWQFHVQHVPSL-FZMZJTMJSA-N 1 3 327.350 1.542 20 0 EDADHO CSC1(CNCc2cccc(S(N)(=O)=O)c2)CC[NH+](C)CC1 ZINC000877540015 597532706 /nfs/dbraw/zinc/53/27/06/597532706.db2.gz WZUURPSCSHRRJH-UHFFFAOYSA-N 1 3 343.518 1.251 20 0 EDADHO O[C@@]1(CN2CCC(c3nnc[nH]3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000878177518 597584638 /nfs/dbraw/zinc/58/46/38/597584638.db2.gz ZDGXRDUPAMUWJB-LJQANCHMSA-N 1 3 341.459 1.621 20 0 EDADHO O[C@@]1(CN2CCC(c3nnc[nH]3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878177518 597584639 /nfs/dbraw/zinc/58/46/39/597584639.db2.gz ZDGXRDUPAMUWJB-LJQANCHMSA-N 1 3 341.459 1.621 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(CCCOC(F)(F)F)CC1 ZINC000878229988 597588407 /nfs/dbraw/zinc/58/84/07/597588407.db2.gz CETXNLJRXZPSEP-UHFFFAOYSA-N 1 3 325.375 1.303 20 0 EDADHO COc1ccccc1OCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879592554 597648901 /nfs/dbraw/zinc/64/89/01/597648901.db2.gz LEHNKOSCTHCGTD-UHFFFAOYSA-N 1 3 333.476 1.786 20 0 EDADHO C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](CO)CN3CCCC3)c2)C1 ZINC000879990687 597799947 /nfs/dbraw/zinc/79/99/47/597799947.db2.gz FTDGSOGKVJSMGP-MOPGFXCFSA-N 1 3 345.487 1.682 20 0 EDADHO C[N@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](CO)CN3CCCC3)c2)C1 ZINC000879990687 597799948 /nfs/dbraw/zinc/79/99/48/597799948.db2.gz FTDGSOGKVJSMGP-MOPGFXCFSA-N 1 3 345.487 1.682 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000879125072 597827153 /nfs/dbraw/zinc/82/71/53/597827153.db2.gz NXDKVPAHWBZFKS-QGZVFWFLSA-N 1 3 325.497 1.676 20 0 EDADHO CC(C)N(C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378494 597951032 /nfs/dbraw/zinc/95/10/32/597951032.db2.gz AOFWBULACKKUDT-UHFFFAOYSA-N 1 3 347.503 1.860 20 0 EDADHO Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000880664369 597990782 /nfs/dbraw/zinc/99/07/82/597990782.db2.gz PZQCLDOUVPPPHV-AWEZNQCLSA-N 1 3 335.496 1.910 20 0 EDADHO Cc1nc(C(C)C)ncc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000880664369 597990784 /nfs/dbraw/zinc/99/07/84/597990784.db2.gz PZQCLDOUVPPPHV-AWEZNQCLSA-N 1 3 335.496 1.910 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(C(F)F)nc2ncnn21 ZINC000882580643 597997822 /nfs/dbraw/zinc/99/78/22/597997822.db2.gz DHWNVBOARHLOBE-NSHDSACASA-N 1 3 341.410 1.746 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(C(F)F)nc2ncnn21 ZINC000882580643 597997824 /nfs/dbraw/zinc/99/78/24/597997824.db2.gz DHWNVBOARHLOBE-NSHDSACASA-N 1 3 341.410 1.746 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3C[C@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365404 598082247 /nfs/dbraw/zinc/08/22/47/598082247.db2.gz INXIVAHXQLXKKX-LSDHHAIUSA-N 1 3 345.447 1.159 20 0 EDADHO CCC(CC)[C@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)[NH+](C)C ZINC000914406715 695391122 /nfs/dbraw/zinc/39/11/22/695391122.db2.gz NJGPBCAUBFFZON-IRXDYDNUSA-N 1 3 345.553 1.758 20 0 EDADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000915566814 695947753 /nfs/dbraw/zinc/94/77/53/695947753.db2.gz GCEAOASHYNSUNM-BBWFWOEESA-N 1 3 341.521 1.361 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008700 700110787 /nfs/dbraw/zinc/11/07/87/700110787.db2.gz YRIDEKLCXZYWOH-MRXNPFEDSA-N 1 3 334.439 1.786 20 0 EDADHO COC[C@H](C)[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848490 697339176 /nfs/dbraw/zinc/33/91/76/697339176.db2.gz JSXAGXLURAGUMP-SJORKVTESA-N 1 3 337.508 1.678 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675458 697485270 /nfs/dbraw/zinc/48/52/70/697485270.db2.gz IYKNSKWVFBDSFM-FQEVSTJZSA-N 1 3 341.499 1.927 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NCC2CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001032094819 698602282 /nfs/dbraw/zinc/60/22/82/698602282.db2.gz OYERVFCRVKHVEI-SFHVURJKSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(c1ccn2c[nH+]cc2c1)N1CCN(C2CN(CCCF)C2)CC1 ZINC000941475743 701551604 /nfs/dbraw/zinc/55/16/04/701551604.db2.gz YTBKWQXXOGYMDW-UHFFFAOYSA-N 1 3 345.422 1.136 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939063545 699130353 /nfs/dbraw/zinc/13/03/53/699130353.db2.gz IGFIAVQCXQXRMK-CXAGYDPISA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)sn1 ZINC000939063433 699130468 /nfs/dbraw/zinc/13/04/68/699130468.db2.gz GEJPWYSPFSSCKB-BLLLJJGKSA-N 1 3 336.505 1.730 20 0 EDADHO COc1ccc(CN[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cn1 ZINC000939543262 699684245 /nfs/dbraw/zinc/68/42/45/699684245.db2.gz BQHQBSSNWHWYNK-GOEBONIOSA-N 1 3 344.459 1.123 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccc(Cl)nc1 ZINC000939546802 699688941 /nfs/dbraw/zinc/68/89/41/699688941.db2.gz UAQHLLYQSZINCL-DZGCQCFKSA-N 1 3 348.878 1.767 20 0 EDADHO Cn1ccnc1CNC[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003675 699888616 /nfs/dbraw/zinc/88/86/16/699888616.db2.gz BUVYQBUPEJHLPL-JKSUJKDBSA-N 1 3 345.491 1.423 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1cccnc1 ZINC000939811826 699959684 /nfs/dbraw/zinc/95/96/84/699959684.db2.gz UZBWKHQTNXLIJR-AEFFLSMTSA-N 1 3 330.476 1.894 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000940148929 700281576 /nfs/dbraw/zinc/28/15/76/700281576.db2.gz GWKCQHRSIZOJQP-UHFFFAOYSA-N 1 3 345.491 1.740 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CCC1 ZINC000940149281 700282244 /nfs/dbraw/zinc/28/22/44/700282244.db2.gz IZXFTNUGZOQPEI-LPHOPBHVSA-N 1 3 349.519 1.868 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)N(C)C ZINC000940163165 700297540 /nfs/dbraw/zinc/29/75/40/700297540.db2.gz WJFBBGVASFULRD-HOTGVXAUSA-N 1 3 325.497 1.580 20 0 EDADHO Cn1cncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995057771 700434908 /nfs/dbraw/zinc/43/49/08/700434908.db2.gz WFHCSEXNOWJOIO-HOTGVXAUSA-N 1 3 347.507 1.669 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940328910 700507574 /nfs/dbraw/zinc/50/75/74/700507574.db2.gz NDVXCROVZYENCJ-CYBMUJFWSA-N 1 3 337.493 1.493 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)(NCc2cnns2)CC1 ZINC000940328910 700507577 /nfs/dbraw/zinc/50/75/77/700507577.db2.gz NDVXCROVZYENCJ-CYBMUJFWSA-N 1 3 337.493 1.493 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000940329570 700508959 /nfs/dbraw/zinc/50/89/59/700508959.db2.gz VLRZAEAJXCATGH-MRXNPFEDSA-N 1 3 345.491 1.740 20 0 EDADHO Cn1cc(C[NH2+]C2(C)CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000940329700 700509744 /nfs/dbraw/zinc/50/97/44/700509744.db2.gz XNFHKSXGDQIFTE-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426560 700620405 /nfs/dbraw/zinc/62/04/05/700620405.db2.gz WYJQNXHJLCKITI-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426560 700620406 /nfs/dbraw/zinc/62/04/06/700620406.db2.gz WYJQNXHJLCKITI-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cncc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000940461781 700665137 /nfs/dbraw/zinc/66/51/37/700665137.db2.gz KMWYILSPPBCPJM-UHFFFAOYSA-N 1 3 330.476 1.957 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976911 /nfs/dbraw/zinc/97/69/11/700976911.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 1 3 349.519 1.722 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976913 /nfs/dbraw/zinc/97/69/13/700976913.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 1 3 349.519 1.722 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999173616 706604882 /nfs/dbraw/zinc/60/48/82/706604882.db2.gz KLKSGUFWGSGQFC-MSOLQXFVSA-N 1 3 343.475 1.207 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941432046 701538258 /nfs/dbraw/zinc/53/82/58/701538258.db2.gz ZORSWUZQMYPFMG-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941432046 701538259 /nfs/dbraw/zinc/53/82/59/701538259.db2.gz ZORSWUZQMYPFMG-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)CCC1 ZINC000995892843 702193560 /nfs/dbraw/zinc/19/35/60/702193560.db2.gz GIEHPDDSIBXIBU-HNNXBMFYSA-N 1 3 333.480 1.231 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)C1CCC1 ZINC000995920748 702242457 /nfs/dbraw/zinc/24/24/57/702242457.db2.gz UZYPNUAFLHJXTQ-INIZCTEOSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C(C)(C)C1)N(C)C ZINC000995944234 702289198 /nfs/dbraw/zinc/28/91/98/702289198.db2.gz AXSAKKPRJHBOQT-KZNAEPCWSA-N 1 3 347.503 1.887 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300219 702691978 /nfs/dbraw/zinc/69/19/78/702691978.db2.gz KJNCVSLUJWALQV-RDJZCZTQSA-N 1 3 347.507 1.131 20 0 EDADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675802 706694982 /nfs/dbraw/zinc/69/49/82/706694982.db2.gz PEHOBGQGWQFUFH-PVAVHDDUSA-N 1 3 333.480 1.390 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665256 702967823 /nfs/dbraw/zinc/96/78/23/702967823.db2.gz AQXFTLDAXRNIHR-SJORKVTESA-N 1 3 347.507 1.621 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000996722508 703017730 /nfs/dbraw/zinc/01/77/30/703017730.db2.gz ISLUHMJPOGXHOP-QGZVFWFLSA-N 1 3 334.464 1.856 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)nn1C ZINC000996772698 703062637 /nfs/dbraw/zinc/06/26/37/703062637.db2.gz YNYQJLZWDOZNMM-UHFFFAOYSA-N 1 3 345.491 1.438 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000996996966 703260674 /nfs/dbraw/zinc/26/06/74/703260674.db2.gz AXWPSISUJLUTTE-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)n1 ZINC000997009888 703270548 /nfs/dbraw/zinc/27/05/48/703270548.db2.gz PNUYQQHXDOZNSQ-KRWDZBQOSA-N 1 3 348.491 1.901 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997013224 703272772 /nfs/dbraw/zinc/27/27/72/703272772.db2.gz ZDQIIAGKDNPYRX-RISCZKNCSA-N 1 3 337.493 1.125 20 0 EDADHO Cc1nnsc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997013224 703272774 /nfs/dbraw/zinc/27/27/74/703272774.db2.gz ZDQIIAGKDNPYRX-RISCZKNCSA-N 1 3 337.493 1.125 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC1 ZINC000997115292 703368881 /nfs/dbraw/zinc/36/88/81/703368881.db2.gz LQIWOCKQHIXEIK-QGZVFWFLSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404278 703424093 /nfs/dbraw/zinc/42/40/93/703424093.db2.gz DHHMQQRVXKXYHK-BZSNNMDCSA-N 1 3 349.519 1.963 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)n1 ZINC001032409040 703438406 /nfs/dbraw/zinc/43/84/06/703438406.db2.gz VFBNULIXFIVSEB-HOTGVXAUSA-N 1 3 331.464 1.144 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997301329 703544726 /nfs/dbraw/zinc/54/47/26/703544726.db2.gz DXBZZPWEUAZNSN-UHFFFAOYSA-N 1 3 331.464 1.006 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000997359826 703590339 /nfs/dbraw/zinc/59/03/39/703590339.db2.gz KJXQCSBUUKUWTC-HOTGVXAUSA-N 1 3 347.507 1.856 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615481 703914825 /nfs/dbraw/zinc/91/48/25/703914825.db2.gz XGZGUXDXXHOWSX-DOTOQJQBSA-N 1 3 325.497 1.460 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C1CC1 ZINC000922810247 704377617 /nfs/dbraw/zinc/37/76/17/704377617.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@@H]1CCN1C1CCOCC1)C1CC1 ZINC000922810247 704377618 /nfs/dbraw/zinc/37/76/18/704377618.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457351 704450646 /nfs/dbraw/zinc/45/06/46/704450646.db2.gz KEIQMLWSHLGHME-QZTJIDSGSA-N 1 3 337.508 1.412 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)C1CC1 ZINC001004457351 704450648 /nfs/dbraw/zinc/45/06/48/704450648.db2.gz KEIQMLWSHLGHME-QZTJIDSGSA-N 1 3 337.508 1.412 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@@H+]1C ZINC000997794180 704702413 /nfs/dbraw/zinc/70/24/13/704702413.db2.gz XMYIANIUIILOAU-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CNCc3nccn3C)CC2)CC[N@H+]1C ZINC000997794180 704702415 /nfs/dbraw/zinc/70/24/15/704702415.db2.gz XMYIANIUIILOAU-DLBZAZTESA-N 1 3 347.507 1.479 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CCC1 ZINC000997831647 704749757 /nfs/dbraw/zinc/74/97/57/704749757.db2.gz WQWNQUFIYCANDZ-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000997832073 704750442 /nfs/dbraw/zinc/75/04/42/704750442.db2.gz YIAHTOQYBNMXNQ-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)cn1 ZINC000997831096 704751381 /nfs/dbraw/zinc/75/13/81/704751381.db2.gz QGANJWFGOZJFIT-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)N(C)C ZINC000997854544 704766615 /nfs/dbraw/zinc/76/66/15/704766615.db2.gz FYTJAXGAXNJXLY-QGZVFWFLSA-N 1 3 325.497 1.581 20 0 EDADHO Cc1nc(C)c(CN2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997867634 704773121 /nfs/dbraw/zinc/77/31/21/704773121.db2.gz QEVOKPNCHAEVAD-GUYCJALGSA-N 1 3 348.491 1.960 20 0 EDADHO Cc1nc(C)c(CN2CCC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997867634 704773122 /nfs/dbraw/zinc/77/31/22/704773122.db2.gz QEVOKPNCHAEVAD-GUYCJALGSA-N 1 3 348.491 1.960 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998081196 705301197 /nfs/dbraw/zinc/30/11/97/705301197.db2.gz GSHBPQNMHXFSQX-ZFWWWQNUSA-N 1 3 336.505 1.669 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(CNCc2nccs2)CC1 ZINC000998081196 705301199 /nfs/dbraw/zinc/30/11/99/705301199.db2.gz GSHBPQNMHXFSQX-ZFWWWQNUSA-N 1 3 336.505 1.669 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1)N(C)C ZINC000998085421 705316852 /nfs/dbraw/zinc/31/68/52/705316852.db2.gz FYPAMQFECNYQLU-IRXDYDNUSA-N 1 3 339.524 1.970 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000998114475 705364752 /nfs/dbraw/zinc/36/47/52/705364752.db2.gz IHTPFYGOPXZNIA-UHFFFAOYSA-N 1 3 342.443 1.473 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(CNCc3cc4n(n3)CCC4)CC2)C1 ZINC000998265260 705632286 /nfs/dbraw/zinc/63/22/86/705632286.db2.gz KDUCBZPRCQRMFV-INIZCTEOSA-N 1 3 345.491 1.109 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(CNCc3cc4n(n3)CCC4)CC2)C1 ZINC000998265260 705632291 /nfs/dbraw/zinc/63/22/91/705632291.db2.gz KDUCBZPRCQRMFV-INIZCTEOSA-N 1 3 345.491 1.109 20 0 EDADHO CCc1nocc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268825 705645093 /nfs/dbraw/zinc/64/50/93/705645093.db2.gz JRXMVLDPLGJDKS-UHFFFAOYSA-N 1 3 334.464 1.661 20 0 EDADHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c1 ZINC000998548256 705983552 /nfs/dbraw/zinc/98/35/52/705983552.db2.gz FKYLHYKKUMNHTI-HTWSVDAQSA-N 1 3 331.460 1.868 20 0 EDADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC(NCc2ccc(F)cn2)C1 ZINC000998781808 706222848 /nfs/dbraw/zinc/22/28/48/706222848.db2.gz XGIWPFZQMTWZNA-ABHNRTSZSA-N 1 3 346.450 1.642 20 0 EDADHO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569719 /nfs/dbraw/zinc/56/97/19/706569719.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 1 3 345.491 1.185 20 0 EDADHO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCCN4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569721 /nfs/dbraw/zinc/56/97/21/706569721.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 1 3 345.491 1.185 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999409684 706919221 /nfs/dbraw/zinc/91/92/21/706919221.db2.gz RPOGVGKKQJUVGN-UHFFFAOYSA-N 1 3 336.505 1.954 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733575 707741893 /nfs/dbraw/zinc/74/18/93/707741893.db2.gz BAOQJOBAJKKJEW-ULQDDVLXSA-N 1 3 333.476 1.327 20 0 EDADHO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033416380 707796042 /nfs/dbraw/zinc/79/60/42/707796042.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 1 3 329.460 1.114 20 0 EDADHO CN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033416380 707796043 /nfs/dbraw/zinc/79/60/43/707796043.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 1 3 329.460 1.114 20 0 EDADHO Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001000183352 707816215 /nfs/dbraw/zinc/81/62/15/707816215.db2.gz IUUAKDQBMVEQSP-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO COC[C@H](C)N1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422812 707837352 /nfs/dbraw/zinc/83/73/52/707837352.db2.gz LHTMSBRQQGUECY-LPHOPBHVSA-N 1 3 347.503 1.972 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001005184999 708112063 /nfs/dbraw/zinc/11/20/63/708112063.db2.gz OLHXWQPQACENTH-DLBZAZTESA-N 1 3 337.508 1.819 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580720 708261626 /nfs/dbraw/zinc/26/16/26/708261626.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 1 3 345.487 1.553 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001033580720 708261628 /nfs/dbraw/zinc/26/16/28/708261628.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 1 3 345.487 1.553 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(CCO)C1 ZINC001033837635 708866951 /nfs/dbraw/zinc/86/69/51/708866951.db2.gz TXLRVXYDOXAUIQ-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(CCO)C1 ZINC001033837635 708866955 /nfs/dbraw/zinc/86/69/55/708866955.db2.gz TXLRVXYDOXAUIQ-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CCO)C1 ZINC001033951146 709131821 /nfs/dbraw/zinc/13/18/21/709131821.db2.gz BFDZWEOZSUERIQ-SFHVURJKSA-N 1 3 333.476 1.319 20 0 EDADHO O=C(NC1CCN(Cc2ccsc2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002873359 709493798 /nfs/dbraw/zinc/49/37/98/709493798.db2.gz BFAZWPJSCZALJY-IRXDYDNUSA-N 1 3 349.500 1.692 20 0 EDADHO O=C(NC1CCN(Cc2ccsc2)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001002873359 709493801 /nfs/dbraw/zinc/49/38/01/709493801.db2.gz BFAZWPJSCZALJY-IRXDYDNUSA-N 1 3 349.500 1.692 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034481699 710096504 /nfs/dbraw/zinc/09/65/04/710096504.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034481699 710096510 /nfs/dbraw/zinc/09/65/10/710096510.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643511 710319817 /nfs/dbraw/zinc/31/98/17/710319817.db2.gz XJBCXSVKKGSFLJ-BZSNNMDCSA-N 1 3 347.507 1.810 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647327 710323732 /nfs/dbraw/zinc/32/37/32/710323732.db2.gz FHYKGMLRNMDXPI-KLHDSHLOSA-N 1 3 334.464 1.840 20 0 EDADHO Cc1ncoc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001034647327 710323736 /nfs/dbraw/zinc/32/37/36/710323736.db2.gz FHYKGMLRNMDXPI-KLHDSHLOSA-N 1 3 334.464 1.840 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001003493563 710376142 /nfs/dbraw/zinc/37/61/42/710376142.db2.gz WMOPKCOPLXOGER-HOTGVXAUSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3ccnn3C)CC2)CC[N@H+]1C ZINC001003493563 710376144 /nfs/dbraw/zinc/37/61/44/710376144.db2.gz WMOPKCOPLXOGER-HOTGVXAUSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628501 710458685 /nfs/dbraw/zinc/45/86/85/710458685.db2.gz RBDGSIAXVPEWAS-GUYCJALGSA-N 1 3 329.460 1.160 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634391 710461737 /nfs/dbraw/zinc/46/17/37/710461737.db2.gz KAYDEDXOICFHKQ-DNVCBOLYSA-N 1 3 345.487 1.457 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(Cc2ccc(CO)cc2)CC1 ZINC001003634391 710461738 /nfs/dbraw/zinc/46/17/38/710461738.db2.gz KAYDEDXOICFHKQ-DNVCBOLYSA-N 1 3 345.487 1.457 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003634446 710462176 /nfs/dbraw/zinc/46/21/76/710462176.db2.gz KLNCJMOPZDVPSA-HNAYVOBHSA-N 1 3 345.487 1.974 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003634446 710462178 /nfs/dbraw/zinc/46/21/78/710462178.db2.gz KLNCJMOPZDVPSA-HNAYVOBHSA-N 1 3 345.487 1.974 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034659775 710589163 /nfs/dbraw/zinc/58/91/63/710589163.db2.gz ZLYYMOYVTHURCN-TVFCKZIOSA-N 1 3 337.508 1.914 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001034957640 711429839 /nfs/dbraw/zinc/42/98/39/711429839.db2.gz DHQJCYILTYFDLE-QGZVFWFLSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034958072 711431156 /nfs/dbraw/zinc/43/11/56/711431156.db2.gz YRRWTEAUCIXRCM-GOSISDBHSA-N 1 3 330.476 1.955 20 0 EDADHO COc1ccnc(CNC[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001034958520 711432468 /nfs/dbraw/zinc/43/24/68/711432468.db2.gz JWLDREFPKCACSI-SJLPKXTDSA-N 1 3 346.475 1.511 20 0 EDADHO Cn1cncc1CNC[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001034937289 711437890 /nfs/dbraw/zinc/43/78/90/711437890.db2.gz KZOWRHBMFYBTEV-MRXNPFEDSA-N 1 3 347.507 1.765 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(C)nc2)CC[N@@H+]1C ZINC001034941753 711446651 /nfs/dbraw/zinc/44/66/51/711446651.db2.gz WILJOIIDBLPLNS-FGTMMUONSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cnc(C)nc2)CC[N@H+]1C ZINC001034941753 711446652 /nfs/dbraw/zinc/44/66/52/711446652.db2.gz WILJOIIDBLPLNS-FGTMMUONSA-N 1 3 345.491 1.596 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394576 711461242 /nfs/dbraw/zinc/46/12/42/711461242.db2.gz OQQOLMZIBAFOTL-AFYVEPGGSA-N 1 3 346.519 1.868 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394576 711461245 /nfs/dbraw/zinc/46/12/45/711461245.db2.gz OQQOLMZIBAFOTL-AFYVEPGGSA-N 1 3 346.519 1.868 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922510218 711639823 /nfs/dbraw/zinc/63/98/23/711639823.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000922510218 711639827 /nfs/dbraw/zinc/63/98/27/711639827.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000051758579 214104468 /nfs/dbraw/zinc/10/44/68/214104468.db2.gz DXKBFSZUMYZKMR-HUUCEWRRSA-N 1 3 338.496 1.364 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176001431 231553151 /nfs/dbraw/zinc/55/31/51/231553151.db2.gz BERFSDJKRZSYFQ-CVEARBPZSA-N 1 3 326.485 1.269 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000445767828 539461519 /nfs/dbraw/zinc/46/15/19/539461519.db2.gz UFYKZALCVHOLCM-OAHLLOKOSA-N 1 3 348.491 1.576 20 0 EDADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089819 306318582 /nfs/dbraw/zinc/31/85/82/306318582.db2.gz AEHHDNNRIKPCQD-DLBZAZTESA-N 1 3 339.443 1.939 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@H]1c1ccccc1 ZINC000333487190 283124505 /nfs/dbraw/zinc/12/45/05/283124505.db2.gz CAWAKJGGRGLXEM-KFGODFMUSA-N 1 3 328.460 1.811 20 0 EDADHO CN1CCN(c2ncc(CN3CCC(CC[NH+](C)C)CC3)cn2)CC1 ZINC000092381208 138288514 /nfs/dbraw/zinc/28/85/14/138288514.db2.gz WWDUJFUKVMFVPD-UHFFFAOYSA-N 1 3 346.523 1.392 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000124263229 138325347 /nfs/dbraw/zinc/32/53/47/138325347.db2.gz ISBAAFPKLBYUMG-CRAIPNDOSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cnc(C)o3)CC2)CC1 ZINC000563819878 306348727 /nfs/dbraw/zinc/34/87/27/306348727.db2.gz PVDXMUSKGINAJI-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)CC[NH2+]C2CC2)CC1 ZINC000565215129 306378861 /nfs/dbraw/zinc/37/88/61/306378861.db2.gz RBESTLOYBKPIJR-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccncc1 ZINC000414197727 304105264 /nfs/dbraw/zinc/10/52/64/304105264.db2.gz PVNATNHZHKMKEM-SFHVURJKSA-N 1 3 332.492 1.919 20 0 EDADHO CCOC[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414335718 304107834 /nfs/dbraw/zinc/10/78/34/304107834.db2.gz YJVSBTQGXFNBHG-OAHLLOKOSA-N 1 3 333.476 1.899 20 0 EDADHO CN(c1ccccc1)C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414695346 304128207 /nfs/dbraw/zinc/12/82/07/304128207.db2.gz AGRVZFUAYWCHON-QGZVFWFLSA-N 1 3 344.503 1.785 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000414694841 304128290 /nfs/dbraw/zinc/12/82/90/304128290.db2.gz GFEODWVBHCKWRQ-IRXDYDNUSA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000414694841 304128291 /nfs/dbraw/zinc/12/82/91/304128291.db2.gz GFEODWVBHCKWRQ-IRXDYDNUSA-N 1 3 342.443 1.014 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000414749803 304137285 /nfs/dbraw/zinc/13/72/85/304137285.db2.gz WPGIGYYZMZLZDL-LSDHHAIUSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1nn(-c2ccccc2)c(C)c1CNCCCN1CC[NH2+]CC1 ZINC000414780516 304139843 /nfs/dbraw/zinc/13/98/43/304139843.db2.gz LNACOICKNAYAGN-UHFFFAOYSA-N 1 3 327.476 1.874 20 0 EDADHO CCN1CCN(c2ccccc2CN[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000100 304149635 /nfs/dbraw/zinc/14/96/35/304149635.db2.gz LEKCEZFTHKNMKB-QGZVFWFLSA-N 1 3 338.446 1.915 20 0 EDADHO COCCOc1cc2c(cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)OCO2 ZINC000415006090 304150247 /nfs/dbraw/zinc/15/02/47/304150247.db2.gz JXJVGDXVKADEAO-JKSUJKDBSA-N 1 3 348.443 1.918 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000415078662 304158222 /nfs/dbraw/zinc/15/82/22/304158222.db2.gz GRJNFBUPZMJAJV-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO c1cc(N2CCCC2)ncc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415141686 304164026 /nfs/dbraw/zinc/16/40/26/304164026.db2.gz PTBNEPYUWLQGNT-MSOLQXFVSA-N 1 3 342.487 1.882 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000237892019 139063034 /nfs/dbraw/zinc/06/30/34/139063034.db2.gz HTCLRQTURLPPKV-GJZGRUSLSA-N 1 3 325.522 1.982 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237914915 139063625 /nfs/dbraw/zinc/06/36/25/139063625.db2.gz VOQBNSCHLKUXBB-MRXNPFEDSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CCC(C)CC1 ZINC000111843324 220205047 /nfs/dbraw/zinc/20/50/47/220205047.db2.gz SJJKGNHVWKSKCB-MRXNPFEDSA-N 1 3 340.512 1.110 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000415297323 304188308 /nfs/dbraw/zinc/18/83/08/304188308.db2.gz NMJXUCQSPYJHCN-CYBMUJFWSA-N 1 3 332.448 1.635 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)CN1CCN(C)CC1 ZINC000247048953 139133111 /nfs/dbraw/zinc/13/31/11/139133111.db2.gz NKCFPOXEAJJJCL-IXDOHACOSA-N 1 3 339.528 1.042 20 0 EDADHO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCCNCC1 ZINC000415319528 304193642 /nfs/dbraw/zinc/19/36/42/304193642.db2.gz OYMDBFBARALQCY-UHFFFAOYSA-N 1 3 344.459 1.433 20 0 EDADHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183352 139139583 /nfs/dbraw/zinc/13/95/83/139139583.db2.gz VHUNRLNWQFZXOM-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183352 139139584 /nfs/dbraw/zinc/13/95/84/139139584.db2.gz VHUNRLNWQFZXOM-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)nc2)[C@@H](C)C1 ZINC000247183352 139139585 /nfs/dbraw/zinc/13/95/85/139139585.db2.gz VHUNRLNWQFZXOM-FUHWJXTLSA-N 1 3 331.508 1.653 20 0 EDADHO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)CC1 ZINC000415395735 304212860 /nfs/dbraw/zinc/21/28/60/304212860.db2.gz GCEFVMRQQZEESN-UHFFFAOYSA-N 1 3 346.475 1.453 20 0 EDADHO CCNC(=O)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821412 218172165 /nfs/dbraw/zinc/17/21/65/218172165.db2.gz OBIYBTJNFJOPAC-UHFFFAOYSA-N 1 3 347.463 1.466 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415414056 304217323 /nfs/dbraw/zinc/21/73/23/304217323.db2.gz JGPHLBNEMZNSPR-HNNXBMFYSA-N 1 3 346.475 1.583 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2c(C)nn(CC)c2C)CC[NH2+]CC1 ZINC000568974347 306493554 /nfs/dbraw/zinc/49/35/54/306493554.db2.gz HBIXUQJEYOSZHV-HNNXBMFYSA-N 1 3 336.480 1.931 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000351002531 284792295 /nfs/dbraw/zinc/79/22/95/284792295.db2.gz OCQJWJHFSUJDAC-HRCADAONSA-N 1 3 340.512 1.212 20 0 EDADHO NCC(=O)NCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000261617592 139211478 /nfs/dbraw/zinc/21/14/78/139211478.db2.gz BLCBMQUOBSIPOJ-UHFFFAOYSA-N 1 3 329.404 1.297 20 0 EDADHO C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000261644580 139213855 /nfs/dbraw/zinc/21/38/55/139213855.db2.gz GVEPHWMMBGDEAT-ZFWWWQNUSA-N 1 3 325.478 1.415 20 0 EDADHO NC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261645335 139214060 /nfs/dbraw/zinc/21/40/60/139214060.db2.gz FXLGRHQTURKHDE-OKZBNKHCSA-N 1 3 327.403 1.821 20 0 EDADHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000261681776 139217071 /nfs/dbraw/zinc/21/70/71/139217071.db2.gz GZKXXSADDYZMIB-VQIMIIECSA-N 1 3 344.503 1.922 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699901 139218769 /nfs/dbraw/zinc/21/87/69/139218769.db2.gz OODGJJUZPLTWQX-HKUYNNGSSA-N 1 3 333.476 1.812 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(F)c3cccnc23)C1 ZINC000261746337 139222607 /nfs/dbraw/zinc/22/26/07/139222607.db2.gz UCTBWBRRUZUBLM-AWEZNQCLSA-N 1 3 330.407 1.661 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261777163 139225068 /nfs/dbraw/zinc/22/50/68/139225068.db2.gz FZFQVRLKQNGZMS-LZWOXQAQSA-N 1 3 325.497 1.613 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261777163 139225069 /nfs/dbraw/zinc/22/50/69/139225069.db2.gz FZFQVRLKQNGZMS-LZWOXQAQSA-N 1 3 325.497 1.613 20 0 EDADHO Cn1cc(-c2ccc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cn1 ZINC000261942842 139238960 /nfs/dbraw/zinc/23/89/60/139238960.db2.gz MVZZPZWJZGJMEA-ZDUSSCGKSA-N 1 3 347.488 1.436 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000261979771 139241481 /nfs/dbraw/zinc/24/14/81/139241481.db2.gz RFWFAUKVVODFPI-USXIJHARSA-N 1 3 334.464 1.622 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262170950 139257004 /nfs/dbraw/zinc/25/70/04/139257004.db2.gz XGCNJLGYXLZGRO-FQEVSTJZSA-N 1 3 346.519 1.828 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@@]1(C)C[NH3+] ZINC000415868215 251035209 /nfs/dbraw/zinc/03/52/09/251035209.db2.gz QDWUFIRJBYOQJY-FZKQIMNGSA-N 1 3 332.448 1.130 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)CNCCO2 ZINC000415980705 251043295 /nfs/dbraw/zinc/04/32/95/251043295.db2.gz ZYYHPSNXDZQYCD-UHFFFAOYSA-N 1 3 327.388 1.219 20 0 EDADHO [NH3+]CC[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)F ZINC000416791054 251110883 /nfs/dbraw/zinc/11/08/83/251110883.db2.gz ICWBPUWZKFJZJZ-HNNXBMFYSA-N 1 3 340.418 1.933 20 0 EDADHO O=C(NC1CCN(Cc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416795508 251111038 /nfs/dbraw/zinc/11/10/38/251111038.db2.gz UFPGIDVIRICVIQ-MSOLQXFVSA-N 1 3 342.487 1.902 20 0 EDADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417016411 251134952 /nfs/dbraw/zinc/13/49/52/251134952.db2.gz GDEIDGXELJTXKS-KSZLIROESA-N 1 3 328.460 1.684 20 0 EDADHO C[C@H]1NCCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024764 251138819 /nfs/dbraw/zinc/13/88/19/251138819.db2.gz MPIXDIISIMHBOF-CVEARBPZSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H]1NCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024764 251138827 /nfs/dbraw/zinc/13/88/27/251138827.db2.gz MPIXDIISIMHBOF-CVEARBPZSA-N 1 3 330.476 1.827 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566770 251191326 /nfs/dbraw/zinc/19/13/26/251191326.db2.gz MZHCIRLFJUSOTD-CABCVRRESA-N 1 3 326.485 1.175 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417580803 251196407 /nfs/dbraw/zinc/19/64/07/251196407.db2.gz GDLXJJGBYVILHN-HUUCEWRRSA-N 1 3 340.512 1.835 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761452 251259775 /nfs/dbraw/zinc/25/97/75/251259775.db2.gz ZCGMEOWRRDVMSQ-IAGOWNOFSA-N 1 3 339.528 1.091 20 0 EDADHO CN(C)C1(CNC(=O)NC2(C)CC[NH2+]CC2)Cc2ccccc2C1 ZINC000417731761 251246811 /nfs/dbraw/zinc/24/68/11/251246811.db2.gz GHIPQGBOJZTGIB-UHFFFAOYSA-N 1 3 330.476 1.527 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NCCCNCc2cccnc2)CC1 ZINC000417747345 251253724 /nfs/dbraw/zinc/25/37/24/251253724.db2.gz ILEVQQRNPQUDJR-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000417847033 251295219 /nfs/dbraw/zinc/29/52/19/251295219.db2.gz UNVVJCFOBJBJTC-NJAFHUGGSA-N 1 3 346.475 1.409 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000417991802 251319100 /nfs/dbraw/zinc/31/91/00/251319100.db2.gz LQCLHCHXZJGTQT-QZTJIDSGSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418104694 251322688 /nfs/dbraw/zinc/32/26/88/251322688.db2.gz KJZWYYUWMPMTFW-SOLBZPMBSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)CN1 ZINC000418104694 251322692 /nfs/dbraw/zinc/32/26/92/251322692.db2.gz KJZWYYUWMPMTFW-SOLBZPMBSA-N 1 3 330.476 1.900 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000418443848 251372601 /nfs/dbraw/zinc/37/26/01/251372601.db2.gz AKCORDJTWDXKKW-AEFFLSMTSA-N 1 3 348.491 1.896 20 0 EDADHO [NH3+]CC[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)F ZINC000418712895 251393467 /nfs/dbraw/zinc/39/34/67/251393467.db2.gz ONGNRCABXBNMDI-HNNXBMFYSA-N 1 3 340.418 1.886 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262709955 139297976 /nfs/dbraw/zinc/29/79/76/139297976.db2.gz FDSHIUDIIXHXKT-PMPSAXMXSA-N 1 3 331.464 1.506 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262832005 139306713 /nfs/dbraw/zinc/30/67/13/139306713.db2.gz VISKZZLECSJQCZ-OAHLLOKOSA-N 1 3 346.475 1.256 20 0 EDADHO CCN1CCN(Cc2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422891578 252013253 /nfs/dbraw/zinc/01/32/53/252013253.db2.gz KRXHJTPWPFWMQJ-YLJYHZDGSA-N 1 3 330.520 1.912 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899175 252017077 /nfs/dbraw/zinc/01/70/77/252017077.db2.gz GWVDKUFHYBKXJB-LZWOXQAQSA-N 1 3 333.432 1.028 20 0 EDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423043869 252027303 /nfs/dbraw/zinc/02/73/03/252027303.db2.gz AESIOSZDWNIGNL-SJORKVTESA-N 1 3 337.489 1.976 20 0 EDADHO COC[C@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000423345527 252047126 /nfs/dbraw/zinc/04/71/26/252047126.db2.gz XPUHOIMKXMQDQN-FQEVSTJZSA-N 1 3 345.487 1.702 20 0 EDADHO O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H](N2CCCC2)C1 ZINC000423346830 252047213 /nfs/dbraw/zinc/04/72/13/252047213.db2.gz PTHXGLWZHDQXSW-CABCVRRESA-N 1 3 331.464 1.577 20 0 EDADHO COCC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773559 252069028 /nfs/dbraw/zinc/06/90/28/252069028.db2.gz JPNQHOYYKCOEEP-IMFGXOCKSA-N 1 3 345.487 1.639 20 0 EDADHO Cc1cc(S(=O)(=O)NCCN[C@@H]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000422993490 252023184 /nfs/dbraw/zinc/02/31/84/252023184.db2.gz FSWOLGIPAGGVRJ-CHWSQXEVSA-N 1 3 331.507 1.360 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423857599 252094787 /nfs/dbraw/zinc/09/47/87/252094787.db2.gz XYEAZHLERJQKCU-GUDVDZBRSA-N 1 3 345.487 1.769 20 0 EDADHO CC1(C(=O)NC[C@H]2CNCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423993861 252109840 /nfs/dbraw/zinc/10/98/40/252109840.db2.gz HVQSGWIIKQPPRA-QGZVFWFLSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313555 252196291 /nfs/dbraw/zinc/19/62/91/252196291.db2.gz JIAAVUOLWIGQLL-XJKSGUPXSA-N 1 3 333.432 1.425 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC2(N(C)C)CCC2)c1 ZINC000424470184 252242125 /nfs/dbraw/zinc/24/21/25/252242125.db2.gz RDFKACWFORLDDX-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424479868 252248286 /nfs/dbraw/zinc/24/82/86/252248286.db2.gz PDJLATSWHMUQOC-GBESFXJTSA-N 1 3 342.487 1.902 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000349917290 285021241 /nfs/dbraw/zinc/02/12/41/285021241.db2.gz RIWHPYXZSMAKNO-MRXNPFEDSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246578838 285023193 /nfs/dbraw/zinc/02/31/93/285023193.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246578838 285023194 /nfs/dbraw/zinc/02/31/94/285023194.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 1 3 338.496 1.223 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415651584 304248174 /nfs/dbraw/zinc/24/81/74/304248174.db2.gz GSFKFNFUEFEEFH-YOEHRIQHSA-N 1 3 346.475 1.581 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000415670683 304252993 /nfs/dbraw/zinc/25/29/93/304252993.db2.gz BYMWCFTWKBWLCW-CQSZACIVSA-N 1 3 332.448 1.274 20 0 EDADHO COC(=O)c1cc(C[NH2+]CCCCN2CCN(C)CC2)n(C)c1C ZINC000570099583 306530353 /nfs/dbraw/zinc/53/03/53/306530353.db2.gz IPUNUKYFTTWERR-UHFFFAOYSA-N 1 3 336.480 1.237 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000358418442 285228679 /nfs/dbraw/zinc/22/86/79/285228679.db2.gz HBLHVCQKSBMMPH-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000358418442 285228681 /nfs/dbraw/zinc/22/86/81/285228681.db2.gz HBLHVCQKSBMMPH-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC(C)(C)C[NH+]2CCCC2)CCCO1 ZINC000458732465 254939443 /nfs/dbraw/zinc/93/94/43/254939443.db2.gz SVLYXLSRIVPLOC-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000433450991 285244837 /nfs/dbraw/zinc/24/48/37/285244837.db2.gz AXAPUVZKNACQFA-GVDBMIGSSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000433450991 285244838 /nfs/dbraw/zinc/24/48/38/285244838.db2.gz AXAPUVZKNACQFA-GVDBMIGSSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000154170522 224213524 /nfs/dbraw/zinc/21/35/24/224213524.db2.gz IXVZFYCXFMFSNR-AWEZNQCLSA-N 1 3 330.494 1.534 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000433450989 285245079 /nfs/dbraw/zinc/24/50/79/285245079.db2.gz AXAPUVZKNACQFA-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000433450989 285245083 /nfs/dbraw/zinc/24/50/83/285245083.db2.gz AXAPUVZKNACQFA-BRWVUGGUSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494704768 255259138 /nfs/dbraw/zinc/25/91/38/255259138.db2.gz TWFMZMAZCLUNJO-HOTGVXAUSA-N 1 3 348.491 1.901 20 0 EDADHO C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCCC[C@H]1C ZINC000496178895 255361906 /nfs/dbraw/zinc/36/19/06/255361906.db2.gz OWQTVUCDDSLXAA-KGLIPLIRSA-N 1 3 341.500 1.888 20 0 EDADHO CN(C)CCN(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000154797288 224307650 /nfs/dbraw/zinc/30/76/50/224307650.db2.gz HOHCOKVSRKGFHJ-UHFFFAOYSA-N 1 3 346.475 1.283 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752390 285320664 /nfs/dbraw/zinc/32/06/64/285320664.db2.gz MMQCWJUIPGAFFS-IKGGRYGDSA-N 1 3 339.528 1.029 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000415910981 304284943 /nfs/dbraw/zinc/28/49/43/304284943.db2.gz CSWZIODKZOWHHH-INIZCTEOSA-N 1 3 347.507 1.944 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000416182619 304293852 /nfs/dbraw/zinc/29/38/52/304293852.db2.gz ZYIAJQPPAXKWEX-ROUUACIJSA-N 1 3 333.476 1.642 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000331318446 141007053 /nfs/dbraw/zinc/00/70/53/141007053.db2.gz KDZSAJLATWNKKP-WBVHZDCISA-N 1 3 325.497 1.601 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@@H]1CCC[NH2+]C1 ZINC000333352596 141304112 /nfs/dbraw/zinc/30/41/12/141304112.db2.gz JWBAURPKSZHRQZ-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3CNCCO3)C2)CC1 ZINC000333580279 141340247 /nfs/dbraw/zinc/34/02/47/141340247.db2.gz UBRWRNSCYNWXDW-IAGOWNOFSA-N 1 3 338.496 1.128 20 0 EDADHO COCCN(C)c1ccc(CN2CCC(OCCC[NH3+])CC2)cn1 ZINC000339407803 142040036 /nfs/dbraw/zinc/04/00/36/142040036.db2.gz NZFDSRZRFJGYPE-UHFFFAOYSA-N 1 3 336.480 1.494 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000345719274 143125300 /nfs/dbraw/zinc/12/53/00/143125300.db2.gz BPPFYDWUUVYVLU-GVDBMIGSSA-N 1 3 325.497 1.534 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000345719274 143125301 /nfs/dbraw/zinc/12/53/01/143125301.db2.gz BPPFYDWUUVYVLU-GVDBMIGSSA-N 1 3 325.497 1.534 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000345769575 143131497 /nfs/dbraw/zinc/13/14/97/143131497.db2.gz NRUIWYMZICVACD-IYBDPMFKSA-N 1 3 336.524 1.534 20 0 EDADHO CCN(CC[NH+]1CCCCCC1)C(=O)CCN1CCN(CC)CC1 ZINC000346313353 143190644 /nfs/dbraw/zinc/19/06/44/143190644.db2.gz MEBUPGYNFUSPTE-UHFFFAOYSA-N 1 3 338.540 1.739 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCSCC2)[C@@H](C)C1 ZINC000346620967 143222957 /nfs/dbraw/zinc/22/29/57/143222957.db2.gz RVAYAVPRDOIWKM-IRXDYDNUSA-N 1 3 329.554 1.762 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCSCC2)[C@@H](C)C1 ZINC000346620967 143222958 /nfs/dbraw/zinc/22/29/58/143222958.db2.gz RVAYAVPRDOIWKM-IRXDYDNUSA-N 1 3 329.554 1.762 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697607 143233393 /nfs/dbraw/zinc/23/33/93/143233393.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 1 3 337.508 1.819 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)N(C)C1 ZINC000346697607 143233394 /nfs/dbraw/zinc/23/33/94/143233394.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 1 3 337.508 1.819 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986793 143268712 /nfs/dbraw/zinc/26/87/12/143268712.db2.gz LMWWCWHZSDGXGG-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO C[NH2+]CC1CCN(Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1 ZINC000347007537 143270708 /nfs/dbraw/zinc/27/07/08/143270708.db2.gz QQMGVDSTJJFFJX-UHFFFAOYSA-N 1 3 336.480 1.883 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275652 /nfs/dbraw/zinc/27/56/52/143275652.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275653 /nfs/dbraw/zinc/27/56/53/143275653.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050429 143276461 /nfs/dbraw/zinc/27/64/61/143276461.db2.gz NOLHZZSCUUEPAZ-SJORKVTESA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@H](C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)N(C)C ZINC000347485895 143327577 /nfs/dbraw/zinc/32/75/77/143327577.db2.gz PPNHMYUFIJTWFQ-QGZVFWFLSA-N 1 3 327.513 1.924 20 0 EDADHO CC[C@H](C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)N(C)C ZINC000347485895 143327578 /nfs/dbraw/zinc/32/75/78/143327578.db2.gz PPNHMYUFIJTWFQ-QGZVFWFLSA-N 1 3 327.513 1.924 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348021198 143392075 /nfs/dbraw/zinc/39/20/75/143392075.db2.gz QVDJPMHKCUMXJS-CVEARBPZSA-N 1 3 340.512 1.166 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000348021198 143392076 /nfs/dbraw/zinc/39/20/76/143392076.db2.gz QVDJPMHKCUMXJS-CVEARBPZSA-N 1 3 340.512 1.166 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000572943335 306604390 /nfs/dbraw/zinc/60/43/90/306604390.db2.gz DHVYYMFAYAQKTQ-FUHWJXTLSA-N 1 3 346.475 1.520 20 0 EDADHO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000573088164 306611306 /nfs/dbraw/zinc/61/13/06/306611306.db2.gz QVMXTDVVIUJRQD-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000416969279 304357445 /nfs/dbraw/zinc/35/74/45/304357445.db2.gz BHWYQAJKVKGCIS-INIZCTEOSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000416969284 304357530 /nfs/dbraw/zinc/35/75/30/304357530.db2.gz BHWYQAJKVKGCIS-MRXNPFEDSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416972748 304358384 /nfs/dbraw/zinc/35/83/84/304358384.db2.gz SUZVJAJKLURKBV-RDJZCZTQSA-N 1 3 348.491 1.896 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416974257 304358500 /nfs/dbraw/zinc/35/85/00/304358500.db2.gz LDFOJCZDYOSIBW-INIZCTEOSA-N 1 3 336.480 1.800 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)CC[NH2+]1 ZINC000416980891 304360693 /nfs/dbraw/zinc/36/06/93/304360693.db2.gz ZFHWZLSEXPKAQD-ZBFHGGJFSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C)CN1 ZINC000416979759 304360369 /nfs/dbraw/zinc/36/03/69/304360369.db2.gz XJWTTXLREPAHJX-HUUCEWRRSA-N 1 3 334.464 1.519 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417042940 304365629 /nfs/dbraw/zinc/36/56/29/304365629.db2.gz WVSOCJNEABXUFU-HDICACEKSA-N 1 3 328.460 1.296 20 0 EDADHO COC(=O)c1ccc(Cl)c(CNCC2CC[NH+](CCO)CC2)c1 ZINC000358052413 151248927 /nfs/dbraw/zinc/24/89/27/151248927.db2.gz SIUSVHGCCPNRMG-UHFFFAOYSA-N 1 3 340.851 1.921 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@@]1(N(C)C)CCSC1)C(C)C ZINC000360369602 152009285 /nfs/dbraw/zinc/00/92/85/152009285.db2.gz QNXPOGNPRFDACA-INIZCTEOSA-N 1 3 330.542 1.842 20 0 EDADHO C[NH+](C)[C@@H]1CCN(C(=O)NC2CCN(CCc3ccncc3)CC2)C1 ZINC000360571875 152102593 /nfs/dbraw/zinc/10/25/93/152102593.db2.gz RLHQCAKIILQMTQ-GOSISDBHSA-N 1 3 345.491 1.434 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000360694184 152155881 /nfs/dbraw/zinc/15/58/81/152155881.db2.gz LWHZTZQHMILXFS-UHFFFAOYSA-N 1 3 346.541 1.033 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360896519 152244858 /nfs/dbraw/zinc/24/48/58/152244858.db2.gz RRMBOVDLTBBBAP-IRXDYDNUSA-N 1 3 342.528 1.499 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000360896519 152244860 /nfs/dbraw/zinc/24/48/60/152244860.db2.gz RRMBOVDLTBBBAP-IRXDYDNUSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000417199187 304383778 /nfs/dbraw/zinc/38/37/78/304383778.db2.gz SRVADBJHLRFGAA-KBAYOESNSA-N 1 3 332.492 1.786 20 0 EDADHO CN(C)CCNC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367116469 154012587 /nfs/dbraw/zinc/01/25/87/154012587.db2.gz CWBBBEHCVNPCKJ-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO O=C(Nc1cccc2c1CNCC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000367512847 154155018 /nfs/dbraw/zinc/15/50/18/154155018.db2.gz GZHAMCCXTRTAMQ-CQSZACIVSA-N 1 3 325.416 1.706 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)[C@@H](C[NH3+])C1 ZINC000417340126 304392606 /nfs/dbraw/zinc/39/26/06/304392606.db2.gz ABRJCLNDGOWBEA-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000417360767 304394646 /nfs/dbraw/zinc/39/46/46/304394646.db2.gz JWCLLZVYVOVPJA-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371598337 156024189 /nfs/dbraw/zinc/02/41/89/156024189.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000371598337 156024191 /nfs/dbraw/zinc/02/41/91/156024191.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 1 3 345.491 1.687 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417747010 292335377 /nfs/dbraw/zinc/33/53/77/292335377.db2.gz GQNMVGFSMGNEQS-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417486710 304399982 /nfs/dbraw/zinc/39/99/82/304399982.db2.gz YYEYELSBLJHEPZ-JKSUJKDBSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000372048257 156224991 /nfs/dbraw/zinc/22/49/91/156224991.db2.gz YHUJCHMFPWDQDN-KZNAEPCWSA-N 1 3 339.524 1.576 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000355387216 292348812 /nfs/dbraw/zinc/34/88/12/292348812.db2.gz SQTYETQATIZLQX-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CSC3(C)C)CC2)CC1 ZINC000374635433 157351455 /nfs/dbraw/zinc/35/14/55/157351455.db2.gz DSFCJGPUXIKSKF-OAHLLOKOSA-N 1 3 340.537 1.738 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCCOC3)cc2)CC1 ZINC000575850053 306672659 /nfs/dbraw/zinc/67/26/59/306672659.db2.gz GRASXENFMMHPCY-GOSISDBHSA-N 1 3 331.460 1.653 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000377935111 158033369 /nfs/dbraw/zinc/03/33/69/158033369.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000377935111 158033370 /nfs/dbraw/zinc/03/33/70/158033370.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000422727048 286913981 /nfs/dbraw/zinc/91/39/81/286913981.db2.gz BJLWVSGIZFLBBE-MNOVXSKESA-N 1 3 328.254 1.894 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000105070592 292474499 /nfs/dbraw/zinc/47/44/99/292474499.db2.gz ZHLGBSVDTLTQSQ-UHFFFAOYSA-N 1 3 328.501 1.515 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000418177961 304460224 /nfs/dbraw/zinc/46/02/24/304460224.db2.gz IBMVSEIYWYCAFC-MVJTYMMSSA-N 1 3 330.476 1.990 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265614 /nfs/dbraw/zinc/26/56/14/287265614.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 1 3 342.528 1.620 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265617 /nfs/dbraw/zinc/26/56/17/287265617.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100622 287267489 /nfs/dbraw/zinc/26/74/89/287267489.db2.gz SDCNMDYKROYYSE-ZBFHGGJFSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1)[N@@H+](C)C1CC1 ZINC000074100622 287267490 /nfs/dbraw/zinc/26/74/90/287267490.db2.gz SDCNMDYKROYYSE-ZBFHGGJFSA-N 1 3 326.485 1.221 20 0 EDADHO COc1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C ZINC000077787194 287290501 /nfs/dbraw/zinc/29/05/01/287290501.db2.gz UWGDMAKVKRHGNS-UHFFFAOYSA-N 1 3 336.480 1.638 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443062715 287318776 /nfs/dbraw/zinc/31/87/76/287318776.db2.gz VERSTQKNXDKSER-BRWVUGGUSA-N 1 3 325.497 1.759 20 0 EDADHO N[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000418335356 304482114 /nfs/dbraw/zinc/48/21/14/304482114.db2.gz ZLYXVEMLGXXHOG-KRWDZBQOSA-N 1 3 327.432 1.561 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000167416554 226190295 /nfs/dbraw/zinc/19/02/95/226190295.db2.gz XIFCDUZSQIEFDQ-UHFFFAOYSA-N 1 3 345.487 1.649 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCCC1 ZINC000168880286 226226568 /nfs/dbraw/zinc/22/65/68/226226568.db2.gz ZPNQVIDMNBPZMQ-OAHLLOKOSA-N 1 3 325.522 1.996 20 0 EDADHO COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000122139340 222022398 /nfs/dbraw/zinc/02/23/98/222022398.db2.gz FIIZKPOYAUGJBB-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000122139340 222022402 /nfs/dbraw/zinc/02/24/02/222022402.db2.gz FIIZKPOYAUGJBB-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391775 304490101 /nfs/dbraw/zinc/49/01/01/304490101.db2.gz VFPJYAFKBUOMFY-DQPZFDDXSA-N 1 3 334.464 1.867 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1)c1ccccc1 ZINC000274605075 268167491 /nfs/dbraw/zinc/16/74/91/268167491.db2.gz MJVBJNAUTLJRHM-RLLQIKCJSA-N 1 3 345.487 1.953 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275932526 268384743 /nfs/dbraw/zinc/38/47/43/268384743.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 1 3 330.476 1.989 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275932526 268384745 /nfs/dbraw/zinc/38/47/45/268384745.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 1 3 330.476 1.989 20 0 EDADHO C[C@H](C[NH3+])C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000285779906 274647131 /nfs/dbraw/zinc/64/71/31/274647131.db2.gz NAVMOXNJUODODP-CYBMUJFWSA-N 1 3 339.867 1.894 20 0 EDADHO CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420013447 276060112 /nfs/dbraw/zinc/06/01/12/276060112.db2.gz LEURMDZVIZAPNI-BFYDXBDKSA-N 1 3 346.475 1.134 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000345102516 276361410 /nfs/dbraw/zinc/36/14/10/276361410.db2.gz HHJFAOWIKSFOCG-OKZBNKHCSA-N 1 3 336.524 1.345 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000370624407 277027973 /nfs/dbraw/zinc/02/79/73/277027973.db2.gz KYSNRGWLLRRKPP-OAHLLOKOSA-N 1 3 348.457 1.771 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000179853299 277637779 /nfs/dbraw/zinc/63/77/79/277637779.db2.gz KRWSBMMMZIXYGV-QAPCUYQASA-N 1 3 333.476 1.628 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358504837 278335983 /nfs/dbraw/zinc/33/59/83/278335983.db2.gz ITLWWARFOMCZMM-GJZGRUSLSA-N 1 3 336.480 1.466 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000351002535 279142101 /nfs/dbraw/zinc/14/21/01/279142101.db2.gz OCQJWJHFSUJDAC-XHSDSOJGSA-N 1 3 340.512 1.212 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735784 279361827 /nfs/dbraw/zinc/36/18/27/279361827.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000174735784 279361828 /nfs/dbraw/zinc/36/18/28/279361828.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000423357613 280176092 /nfs/dbraw/zinc/17/60/92/280176092.db2.gz MJZYVBKHGQEHHG-YOEHRIQHSA-N 1 3 348.491 1.214 20 0 EDADHO O=C1O[C@]2(CN1CN1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860429 280312803 /nfs/dbraw/zinc/31/28/03/280312803.db2.gz ZTAVJVIZDYGXPL-MJGOQNOKSA-N 1 3 349.475 1.752 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000645915858 452896099 /nfs/dbraw/zinc/89/60/99/452896099.db2.gz HHVUFHIEWMEVHF-OAGGEKHMSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCS[C@@H]1C ZINC000645915858 452896107 /nfs/dbraw/zinc/89/61/07/452896107.db2.gz HHVUFHIEWMEVHF-OAGGEKHMSA-N 1 3 342.553 1.938 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186942 292660451 /nfs/dbraw/zinc/66/04/51/292660451.db2.gz GIBRKWRPYGMDNN-MJGOQNOKSA-N 1 3 333.476 1.942 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000290244996 288865208 /nfs/dbraw/zinc/86/52/08/288865208.db2.gz VUJQZSDIFJVBID-MOPGFXCFSA-N 1 3 345.487 1.648 20 0 EDADHO CN(C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418571821 304514258 /nfs/dbraw/zinc/51/42/58/304514258.db2.gz RZADTEWNUQRLQF-WFASDCNBSA-N 1 3 326.391 1.271 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418652083 304525652 /nfs/dbraw/zinc/52/56/52/304525652.db2.gz MKFNDZRWFFLKHI-LISAXSMJSA-N 1 3 330.476 1.936 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1CN1CCCC1 ZINC000423356461 304598627 /nfs/dbraw/zinc/59/86/27/304598627.db2.gz JTIPNNHOZMGEJM-IRXDYDNUSA-N 1 3 331.464 1.508 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448465866 447321818 /nfs/dbraw/zinc/32/18/18/447321818.db2.gz KDUPSJQVDGBYJI-KRWDZBQOSA-N 1 3 342.528 1.574 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000448465866 447321819 /nfs/dbraw/zinc/32/18/19/447321819.db2.gz KDUPSJQVDGBYJI-KRWDZBQOSA-N 1 3 342.528 1.574 20 0 EDADHO CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000294995254 303160866 /nfs/dbraw/zinc/16/08/66/303160866.db2.gz HVSWJEAYZJXSMF-HNNXBMFYSA-N 1 3 333.476 1.648 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000448521341 447327423 /nfs/dbraw/zinc/32/74/23/447327423.db2.gz OCVOHDCGPJRZFO-VYDXJSESSA-N 1 3 342.553 1.795 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000448521341 447327426 /nfs/dbraw/zinc/32/74/26/447327426.db2.gz OCVOHDCGPJRZFO-VYDXJSESSA-N 1 3 342.553 1.795 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000411631294 303901609 /nfs/dbraw/zinc/90/16/09/303901609.db2.gz MBSHMPITDCWSBR-HZPDHXFCSA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)CN2CCOCC2)CC1 ZINC000411997595 303948496 /nfs/dbraw/zinc/94/84/96/303948496.db2.gz JEKYRNKGHVERMW-UHFFFAOYSA-N 1 3 326.529 1.103 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC[NH2+]C1 ZINC000423313593 304892179 /nfs/dbraw/zinc/89/21/79/304892179.db2.gz WZIJFNQCERRXLE-YOEHRIQHSA-N 1 3 337.489 1.627 20 0 EDADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935418 305069201 /nfs/dbraw/zinc/06/92/01/305069201.db2.gz SUXPTBCYDXPLGV-AWEZNQCLSA-N 1 3 330.432 1.423 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000431032180 305073297 /nfs/dbraw/zinc/07/32/97/305073297.db2.gz ARSGRMNEOCJHCP-UHFFFAOYSA-N 1 3 348.491 1.261 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000431058010 305074073 /nfs/dbraw/zinc/07/40/73/305074073.db2.gz QLYMZFVRQGLNIU-BZUAXINKSA-N 1 3 325.497 1.628 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106153 /nfs/dbraw/zinc/10/61/53/305106153.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106154 /nfs/dbraw/zinc/10/61/54/305106154.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[N@H+]1C[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108035 /nfs/dbraw/zinc/10/80/35/305108035.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 1 3 340.512 1.515 20 0 EDADHO CC(C)[N@@H+]1C[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108036 /nfs/dbraw/zinc/10/80/36/305108036.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 1 3 340.512 1.515 20 0 EDADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(CN)[nH]2)cc1 ZINC000434693656 305127770 /nfs/dbraw/zinc/12/77/70/305127770.db2.gz OBHCUOXDCULIET-GUYCJALGSA-N 1 3 328.420 1.777 20 0 EDADHO CN(CCOc1ccccc1F)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443065416 305234467 /nfs/dbraw/zinc/23/44/67/305234467.db2.gz ZTGYGAXGMIEVSB-OAHLLOKOSA-N 1 3 337.439 1.724 20 0 EDADHO COc1ccc(-n2cc(CNCC3(O)CC[NH+](C)CC3)cn2)cc1 ZINC000449164803 305308520 /nfs/dbraw/zinc/30/85/20/305308520.db2.gz RFRUVINYRIMSKP-UHFFFAOYSA-N 1 3 330.432 1.427 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CCN2CCC(O)CC2)CC1 ZINC000449646930 305315641 /nfs/dbraw/zinc/31/56/41/305315641.db2.gz OXBSEJYQWXCQHM-UHFFFAOYSA-N 1 3 346.519 1.375 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)CC[N@@H+]1C ZINC000450130541 305325625 /nfs/dbraw/zinc/32/56/25/305325625.db2.gz CWVCGBFHUULBBF-YQQAZPJKSA-N 1 3 349.475 1.657 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OC[C@H](O)CN(C)C)cc2)CC[N@H+]1C ZINC000450130541 305325626 /nfs/dbraw/zinc/32/56/26/305325626.db2.gz CWVCGBFHUULBBF-YQQAZPJKSA-N 1 3 349.475 1.657 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000452385959 305396365 /nfs/dbraw/zinc/39/63/65/305396365.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 1 3 337.508 1.604 20 0 EDADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000452385959 305396366 /nfs/dbraw/zinc/39/63/66/305396366.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 1 3 337.508 1.604 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000516742448 305740530 /nfs/dbraw/zinc/74/05/30/305740530.db2.gz WYLQRKBZYSVMBN-PBHICJAKSA-N 1 3 332.448 1.843 20 0 EDADHO C[C@@H](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000419702226 447358905 /nfs/dbraw/zinc/35/89/05/447358905.db2.gz ASMVZZLUHHHZKY-DOTOQJQBSA-N 1 3 346.475 1.183 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)CCCC[NH+](C)C)CC2)nc1 ZINC000517990856 305757961 /nfs/dbraw/zinc/75/79/61/305757961.db2.gz FOFAEDWPQDBZNH-UHFFFAOYSA-N 1 3 347.507 1.524 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930427 447361859 /nfs/dbraw/zinc/36/18/59/447361859.db2.gz AVHZXSDJJGGMMX-WWGRRREGSA-N 1 3 333.432 1.778 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC[C@H]2C)c1 ZINC000414930427 447361864 /nfs/dbraw/zinc/36/18/64/447361864.db2.gz AVHZXSDJJGGMMX-WWGRRREGSA-N 1 3 333.432 1.778 20 0 EDADHO C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)CN1CCN(C)CC1 ZINC000458438207 447366951 /nfs/dbraw/zinc/36/69/51/447366951.db2.gz LOZGFACUAJDIRI-MRXNPFEDSA-N 1 3 341.544 1.290 20 0 EDADHO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896824 306049299 /nfs/dbraw/zinc/04/92/99/306049299.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 1 3 343.471 1.390 20 0 EDADHO C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896824 306049300 /nfs/dbraw/zinc/04/93/00/306049300.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 1 3 343.471 1.390 20 0 EDADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000665356449 453664524 /nfs/dbraw/zinc/66/45/24/453664524.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000665356449 453664526 /nfs/dbraw/zinc/66/45/26/453664526.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422207837 447403783 /nfs/dbraw/zinc/40/37/83/447403783.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCCN2C)CCCO1 ZINC000422207837 447403787 /nfs/dbraw/zinc/40/37/87/447403787.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458568447 447415335 /nfs/dbraw/zinc/41/53/35/447415335.db2.gz JKRNDLNFELHUKN-OFLPRAFFSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415428051 447429580 /nfs/dbraw/zinc/42/95/80/447429580.db2.gz OBAQBKGAZBXKCX-DOTOQJQBSA-N 1 3 346.475 1.664 20 0 EDADHO C[C@H](CNC(=O)NCc1ccccc1OCCN(C)C)[N@H+](C)C1CC1 ZINC000105205385 441242402 /nfs/dbraw/zinc/24/24/02/441242402.db2.gz WMCWRCRFLLYTAF-OAHLLOKOSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](CNC(=O)NCc1ccccc1OCCN(C)C)[N@@H+](C)C1CC1 ZINC000105205385 441242403 /nfs/dbraw/zinc/24/24/03/441242403.db2.gz WMCWRCRFLLYTAF-OAHLLOKOSA-N 1 3 348.491 1.909 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073074747 441291061 /nfs/dbraw/zinc/29/10/61/441291061.db2.gz XSQRDXJZKTZKBB-QGZVFWFLSA-N 1 3 342.487 1.552 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000073074747 441291063 /nfs/dbraw/zinc/29/10/63/441291063.db2.gz XSQRDXJZKTZKBB-QGZVFWFLSA-N 1 3 342.487 1.552 20 0 EDADHO CCN(CC)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000081767947 441310837 /nfs/dbraw/zinc/31/08/37/441310837.db2.gz FXCBVVBZWCBXJA-UHFFFAOYSA-N 1 3 333.476 1.601 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074846666 441471397 /nfs/dbraw/zinc/47/13/97/441471397.db2.gz PEVABOYYEIOVAV-MRXNPFEDSA-N 1 3 334.508 1.987 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000074846666 441471400 /nfs/dbraw/zinc/47/14/00/441471400.db2.gz PEVABOYYEIOVAV-MRXNPFEDSA-N 1 3 334.508 1.987 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108567665 441464447 /nfs/dbraw/zinc/46/44/47/441464447.db2.gz YUUILNDQDCJYFZ-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108567665 441464451 /nfs/dbraw/zinc/46/44/51/441464451.db2.gz YUUILNDQDCJYFZ-MRXNPFEDSA-N 1 3 348.491 1.768 20 0 EDADHO CCN1CCN(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112918377 441569070 /nfs/dbraw/zinc/56/90/70/441569070.db2.gz QIKYMHMAUKRZMC-UHFFFAOYSA-N 1 3 344.503 1.650 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621992 /nfs/dbraw/zinc/62/19/92/441621992.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 1 3 344.503 1.694 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621995 /nfs/dbraw/zinc/62/19/95/441621995.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 1 3 344.503 1.694 20 0 EDADHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1OC(F)F ZINC000077450198 441782604 /nfs/dbraw/zinc/78/26/04/441782604.db2.gz VGUBZVWTGMZBFL-UHFFFAOYSA-N 1 3 330.375 1.843 20 0 EDADHO C[C@H](CNC(=O)N1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000123038037 441873299 /nfs/dbraw/zinc/87/32/99/441873299.db2.gz HJSXABYHZZAYOU-MRXNPFEDSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1cc(C)cc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000077874653 441881230 /nfs/dbraw/zinc/88/12/30/441881230.db2.gz FVRQSTLQXFJJNZ-UHFFFAOYSA-N 1 3 334.508 1.981 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079297018 442036652 /nfs/dbraw/zinc/03/66/52/442036652.db2.gz AECYJARQEMAIEX-INIZCTEOSA-N 1 3 331.464 1.788 20 0 EDADHO Cc1c(C(=O)N2CCC[C@@H](N3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000165534115 442210101 /nfs/dbraw/zinc/21/01/01/442210101.db2.gz LFAUMLRBLVXKGG-MRXNPFEDSA-N 1 3 346.479 1.211 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000177865103 442391906 /nfs/dbraw/zinc/39/19/06/442391906.db2.gz HOJLQLSQFCYJQR-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000177865103 442391908 /nfs/dbraw/zinc/39/19/08/442391908.db2.gz HOJLQLSQFCYJQR-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000132502798 442394645 /nfs/dbraw/zinc/39/46/45/442394645.db2.gz IYBOBEAMFMIQBH-UHFFFAOYSA-N 1 3 347.463 1.528 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000155755642 442424983 /nfs/dbraw/zinc/42/49/83/442424983.db2.gz ZAPZORFFSDZEFQ-WBVHZDCISA-N 1 3 325.497 1.722 20 0 EDADHO COCCCN(C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178811331 442492625 /nfs/dbraw/zinc/49/26/25/442492625.db2.gz IQHLDDQIIOSFFC-UHFFFAOYSA-N 1 3 333.476 1.392 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178857289 442505206 /nfs/dbraw/zinc/50/52/06/442505206.db2.gz MTZPRSFEHDPUMQ-JZXOWHBKSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000179122984 442576888 /nfs/dbraw/zinc/57/68/88/442576888.db2.gz JYILVMPKOKIGQG-SFHVURJKSA-N 1 3 330.476 1.651 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000157921678 442627722 /nfs/dbraw/zinc/62/77/22/442627722.db2.gz MKEYMNNXAFMUSW-MJGOQNOKSA-N 1 3 344.503 1.751 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000187949426 442700057 /nfs/dbraw/zinc/70/00/57/442700057.db2.gz VPTHNSCCLADTMK-JCGIZDLHSA-N 1 3 331.460 1.705 20 0 EDADHO COCCC[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000181552258 442703131 /nfs/dbraw/zinc/70/31/31/442703131.db2.gz XTWIFJWCFBWYIG-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000188445814 442750933 /nfs/dbraw/zinc/75/09/33/442750933.db2.gz VMOKVEKILCFDHD-VQTJNVASSA-N 1 3 348.487 1.784 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H](F)CN1 ZINC000188742485 442801677 /nfs/dbraw/zinc/80/16/77/442801677.db2.gz WXSOVJWEHTWPPK-VNHYZAJKSA-N 1 3 325.453 1.776 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1C[C@H](F)CN1 ZINC000188742485 442801680 /nfs/dbraw/zinc/80/16/80/442801680.db2.gz WXSOVJWEHTWPPK-VNHYZAJKSA-N 1 3 325.453 1.776 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]nc2c1CNCC2 ZINC000188881215 442834371 /nfs/dbraw/zinc/83/43/71/442834371.db2.gz ZRKJYKMAMFKHFZ-UHFFFAOYSA-N 1 3 341.459 1.779 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000265637438 442855506 /nfs/dbraw/zinc/85/55/06/442855506.db2.gz LEACMPKEDKDJDR-SNAWJCMRSA-N 1 3 330.476 1.168 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC[NH+](C)C)c(C)c2)CC1 ZINC000194725198 318592753 /nfs/dbraw/zinc/59/27/53/318592753.db2.gz LGYHFAXPBXRXEL-UHFFFAOYSA-N 1 3 333.480 1.820 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CCN1Cc1ccccc1 ZINC000268869542 443132864 /nfs/dbraw/zinc/13/28/64/443132864.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869542 443132870 /nfs/dbraw/zinc/13/28/70/443132870.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869542 443132875 /nfs/dbraw/zinc/13/28/75/443132875.db2.gz GALUUZNKFFFOPF-RLLQIKCJSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268874482 443133330 /nfs/dbraw/zinc/13/33/30/443133330.db2.gz WCZDEJZXNOVARR-XJKSGUPXSA-N 1 3 341.477 1.165 20 0 EDADHO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000185028520 443120982 /nfs/dbraw/zinc/12/09/82/443120982.db2.gz DOYIFIUMSHGQJM-QRQLOZEOSA-N 1 3 342.487 1.394 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000268865583 443130204 /nfs/dbraw/zinc/13/02/04/443130204.db2.gz TWVOVGXMFNWICV-WMLDXEAASA-N 1 3 333.432 1.751 20 0 EDADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000266765177 443233600 /nfs/dbraw/zinc/23/36/00/443233600.db2.gz DUQIUQAWAUHDMS-OAHLLOKOSA-N 1 3 344.503 1.868 20 0 EDADHO C[C@H](CNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000266765177 443233602 /nfs/dbraw/zinc/23/36/02/443233602.db2.gz DUQIUQAWAUHDMS-OAHLLOKOSA-N 1 3 344.503 1.868 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000262641473 443205232 /nfs/dbraw/zinc/20/52/32/443205232.db2.gz KUKJCCRJPVYDCJ-QZTJIDSGSA-N 1 3 346.519 1.855 20 0 EDADHO CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185730472 443246054 /nfs/dbraw/zinc/24/60/54/443246054.db2.gz UXTPVKGVUIJAOR-CABCVRRESA-N 1 3 331.526 1.558 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000269252185 443251355 /nfs/dbraw/zinc/25/13/55/443251355.db2.gz HXTKZMZKKWRJDM-UHFFFAOYSA-N 1 3 348.491 1.503 20 0 EDADHO Cc1cc(NC(=O)C[C@@H]2CNCCO2)ccc1OCC[NH+]1CCCC1 ZINC000269254297 443252118 /nfs/dbraw/zinc/25/21/18/443252118.db2.gz JCRNAFZKCYRGDS-QGZVFWFLSA-N 1 3 347.459 1.787 20 0 EDADHO CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411801845 319204808 /nfs/dbraw/zinc/20/48/08/319204808.db2.gz ZTXUWGZLXSJWHQ-CVEARBPZSA-N 1 3 339.480 1.297 20 0 EDADHO CCN(C)C(=O)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264274621 443256940 /nfs/dbraw/zinc/25/69/40/443256940.db2.gz BUSJLEPKQMBTDR-LJQANCHMSA-N 1 3 347.503 1.842 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000269261958 443255760 /nfs/dbraw/zinc/25/57/60/443255760.db2.gz WNTGEHKTXRVIKP-WBVHZDCISA-N 1 3 344.459 1.465 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000269261958 443255763 /nfs/dbraw/zinc/25/57/63/443255763.db2.gz WNTGEHKTXRVIKP-WBVHZDCISA-N 1 3 344.459 1.465 20 0 EDADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201871 319318985 /nfs/dbraw/zinc/31/89/85/319318985.db2.gz YIBAZZPCTRORMV-KGLIPLIRSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201871 319318987 /nfs/dbraw/zinc/31/89/87/319318987.db2.gz YIBAZZPCTRORMV-KGLIPLIRSA-N 1 3 325.478 1.717 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205286 319319412 /nfs/dbraw/zinc/31/94/12/319319412.db2.gz XHUUVUVALCAXAO-KURKYZTESA-N 1 3 349.519 1.330 20 0 EDADHO C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414664903 319338417 /nfs/dbraw/zinc/33/84/17/319338417.db2.gz DABRJOORPJLHBU-CQSZACIVSA-N 1 3 341.402 1.917 20 0 EDADHO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414664903 319338420 /nfs/dbraw/zinc/33/84/20/319338420.db2.gz DABRJOORPJLHBU-CQSZACIVSA-N 1 3 341.402 1.917 20 0 EDADHO C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673141 319339520 /nfs/dbraw/zinc/33/95/20/319339520.db2.gz BVBGMYUHECXYLP-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414673141 319339523 /nfs/dbraw/zinc/33/95/23/319339523.db2.gz BVBGMYUHECXYLP-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)cc1 ZINC000414679942 319340543 /nfs/dbraw/zinc/34/05/43/319340543.db2.gz MHRXQEGBSDJKTA-MRXNPFEDSA-N 1 3 334.464 1.437 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414682251 319341844 /nfs/dbraw/zinc/34/18/44/319341844.db2.gz RCYSDGFZSFHMGN-HOTGVXAUSA-N 1 3 348.466 1.770 20 0 EDADHO NC[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000269267163 443258519 /nfs/dbraw/zinc/25/85/19/443258519.db2.gz PSWBFFVPHZTHGG-QGZVFWFLSA-N 1 3 331.460 1.490 20 0 EDADHO Cc1cccc(C)c1OCCC[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415087585 319346430 /nfs/dbraw/zinc/34/64/30/319346430.db2.gz WEQXYAVEXYDCOF-QGZVFWFLSA-N 1 3 333.476 1.859 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415824492 319375200 /nfs/dbraw/zinc/37/52/00/319375200.db2.gz VNQBETWMQSAJCF-KRWDZBQOSA-N 1 3 346.475 1.629 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1 ZINC000415936327 319383612 /nfs/dbraw/zinc/38/36/12/319383612.db2.gz UANLSGDXELOESY-RHSMWYFYSA-N 1 3 334.464 1.715 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416003230 319389254 /nfs/dbraw/zinc/38/92/54/319389254.db2.gz GKNAWCORWQJVON-CYBMUJFWSA-N 1 3 347.385 1.435 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000266891194 443282194 /nfs/dbraw/zinc/28/21/94/443282194.db2.gz VBMRSJNJDWDVOX-GOSISDBHSA-N 1 3 342.487 1.575 20 0 EDADHO CN(C)C1(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000266891194 443282199 /nfs/dbraw/zinc/28/21/99/443282199.db2.gz VBMRSJNJDWDVOX-GOSISDBHSA-N 1 3 342.487 1.575 20 0 EDADHO CO[C@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000191361346 443284597 /nfs/dbraw/zinc/28/45/97/443284597.db2.gz RBDFYXXLRITILY-RDJZCZTQSA-N 1 3 338.496 1.412 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416810362 319462382 /nfs/dbraw/zinc/46/23/82/319462382.db2.gz BQGMIKULKQZSSC-NVXWUHKLSA-N 1 3 334.464 1.869 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422639999 319723650 /nfs/dbraw/zinc/72/36/50/319723650.db2.gz UIHPFUZTQVRFGW-QGZVFWFLSA-N 1 3 330.476 1.233 20 0 EDADHO CSCC[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000272273492 443575388 /nfs/dbraw/zinc/57/53/88/443575388.db2.gz AJAWACVTTNEQTR-INIZCTEOSA-N 1 3 339.505 1.714 20 0 EDADHO CN(C)[C@@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000431774363 319946522 /nfs/dbraw/zinc/94/65/22/319946522.db2.gz FAXVIDXRDFIQOB-KRWDZBQOSA-N 1 3 333.476 1.906 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000449747382 320204694 /nfs/dbraw/zinc/20/46/94/320204694.db2.gz JARXTFWTRIAPAP-MJGOQNOKSA-N 1 3 342.487 1.651 20 0 EDADHO CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453641405 320266074 /nfs/dbraw/zinc/26/60/74/320266074.db2.gz VDOXDUNBGBNWKX-RDJZCZTQSA-N 1 3 344.459 1.337 20 0 EDADHO CCC[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)OC ZINC000454457401 320288914 /nfs/dbraw/zinc/28/89/14/320288914.db2.gz OMFAHKLCWVKOPD-KRWDZBQOSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458121816 320336359 /nfs/dbraw/zinc/33/63/59/320336359.db2.gz BQDCJSYQQJXGEK-QGZVFWFLSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000488157979 320357655 /nfs/dbraw/zinc/35/76/55/320357655.db2.gz FXEBUPUGQXVELS-DAYGRLMNSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000488157979 320357656 /nfs/dbraw/zinc/35/76/56/320357656.db2.gz FXEBUPUGQXVELS-DAYGRLMNSA-N 1 3 334.508 1.985 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000517930080 320453136 /nfs/dbraw/zinc/45/31/36/320453136.db2.gz RKMDXQGHMCYKGZ-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO CN(CCCN(C)[C@@H]1CCc2ccccc2NC1=O)CC[NH+](C)C ZINC000298531390 443792753 /nfs/dbraw/zinc/79/27/53/443792753.db2.gz MEFTYGVEEVKAAM-GOSISDBHSA-N 1 3 332.492 1.755 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529327636 320574184 /nfs/dbraw/zinc/57/41/84/320574184.db2.gz XYPLWYKXMQOTPB-QGZVFWFLSA-N 1 3 343.475 1.882 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000292953685 443888149 /nfs/dbraw/zinc/88/81/49/443888149.db2.gz ASOLERNXHKZVCF-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000292953685 443888151 /nfs/dbraw/zinc/88/81/51/443888151.db2.gz ASOLERNXHKZVCF-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cncc(F)c3)CC2)CC1 ZINC000281271510 443864855 /nfs/dbraw/zinc/86/48/55/443864855.db2.gz BDMCZKRYLMJXGQ-UHFFFAOYSA-N 1 3 335.427 1.901 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000299347994 444024132 /nfs/dbraw/zinc/02/41/32/444024132.db2.gz HEIPDMSPAMDIBO-HNNXBMFYSA-N 1 3 336.480 1.766 20 0 EDADHO C[C@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993528 321086475 /nfs/dbraw/zinc/08/64/75/321086475.db2.gz IMXZPTQUVIWTOS-APWZRJJASA-N 1 3 347.503 1.683 20 0 EDADHO Cc1nc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000565237182 321178102 /nfs/dbraw/zinc/17/81/02/321178102.db2.gz GBUNWIXKBMKSDO-UHFFFAOYSA-N 1 3 328.464 1.723 20 0 EDADHO Cc1ccccc1OC[C@H](O)CNCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000565476791 321187987 /nfs/dbraw/zinc/18/79/87/321187987.db2.gz PJJQLMZGTQDZRL-ZWKOTPCHSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccccc1OC[C@H](O)CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000565476791 321187989 /nfs/dbraw/zinc/18/79/89/321187989.db2.gz PJJQLMZGTQDZRL-ZWKOTPCHSA-N 1 3 336.476 1.825 20 0 EDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000570896391 321362103 /nfs/dbraw/zinc/36/21/03/321362103.db2.gz HPRVMXOMFGWEBS-GFCCVEGCSA-N 1 3 332.441 1.458 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000570941946 321365704 /nfs/dbraw/zinc/36/57/04/321365704.db2.gz DWFMWVJXQQKOSN-CQSZACIVSA-N 1 3 334.464 1.039 20 0 EDADHO Cc1ncccc1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000285988857 444170525 /nfs/dbraw/zinc/17/05/25/444170525.db2.gz MTEAEISAEMHVIW-UHFFFAOYSA-N 1 3 330.476 1.607 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000576936710 321608465 /nfs/dbraw/zinc/60/84/65/321608465.db2.gz IRPWLLJBJXCVGE-OAUYIBNBSA-N 1 3 342.447 1.076 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000290731941 444316743 /nfs/dbraw/zinc/31/67/43/444316743.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 1 3 346.519 1.651 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000290731941 444316745 /nfs/dbraw/zinc/31/67/45/444316745.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 1 3 346.519 1.651 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325933503 444371326 /nfs/dbraw/zinc/37/13/26/444371326.db2.gz YLEFIZCOJVXFNU-FRQCXROJSA-N 1 3 337.508 1.900 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)N2CCCC2)cc1 ZINC000580426002 322049142 /nfs/dbraw/zinc/04/91/42/322049142.db2.gz XJANWAOIGLXELC-JLSDUUJJSA-N 1 3 331.460 1.946 20 0 EDADHO COC[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[NH2+]C1 ZINC000580434698 322050781 /nfs/dbraw/zinc/05/07/81/322050781.db2.gz SCFSLCPYULDUQI-LJQANCHMSA-N 1 3 347.459 1.208 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000580783462 322095701 /nfs/dbraw/zinc/09/57/01/322095701.db2.gz RHDJZQRLOLQJJU-OAHLLOKOSA-N 1 3 325.497 1.270 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580941587 322114498 /nfs/dbraw/zinc/11/44/98/322114498.db2.gz VGKIPMFDRYXGIU-LJQANCHMSA-N 1 3 346.475 1.522 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000581245507 322153503 /nfs/dbraw/zinc/15/35/03/322153503.db2.gz DNQWRQGCJQSDJW-QAPCUYQASA-N 1 3 330.476 1.677 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000343856805 444630354 /nfs/dbraw/zinc/63/03/54/444630354.db2.gz ZDYYTTSBHFJWDW-GDBMZVCRSA-N 1 3 340.512 1.658 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000342349523 444647559 /nfs/dbraw/zinc/64/75/59/444647559.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 1 3 334.508 1.842 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000342349523 444647564 /nfs/dbraw/zinc/64/75/64/444647564.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 1 3 334.508 1.842 20 0 EDADHO CNS(=O)(=O)CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336707997 444794763 /nfs/dbraw/zinc/79/47/63/444794763.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 1 3 339.505 1.380 20 0 EDADHO CNS(=O)(=O)CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336707997 444794767 /nfs/dbraw/zinc/79/47/67/444794767.db2.gz JJSWEAODFFQDTM-KRWDZBQOSA-N 1 3 339.505 1.380 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000342783658 444865819 /nfs/dbraw/zinc/86/58/19/444865819.db2.gz OZUCVBVXNBPNHY-UHFFFAOYSA-N 1 3 325.497 1.866 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](CC)CCOCCO)CC1 ZINC000337463027 445092270 /nfs/dbraw/zinc/09/22/70/445092270.db2.gz KYNLZOJMABNHAJ-UHFFFAOYSA-N 1 3 335.492 1.659 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](CC)CCOCCO)CC1 ZINC000337463027 445092272 /nfs/dbraw/zinc/09/22/72/445092272.db2.gz KYNLZOJMABNHAJ-UHFFFAOYSA-N 1 3 335.492 1.659 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NC3CCN(C4CC4)CC3)C2)C1 ZINC000339435153 445140309 /nfs/dbraw/zinc/14/03/09/445140309.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 1 3 334.508 1.147 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(CC(=O)NC3CCN(C4CC4)CC3)C2)C1 ZINC000339435153 445140312 /nfs/dbraw/zinc/14/03/12/445140312.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 1 3 334.508 1.147 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C(F)F)CC3)CC2)CC1 ZINC000337641521 445183376 /nfs/dbraw/zinc/18/33/76/445183376.db2.gz GBWVJPXPPIIMMS-UHFFFAOYSA-N 1 3 330.423 1.642 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651421 445187927 /nfs/dbraw/zinc/18/79/27/445187927.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651421 445187931 /nfs/dbraw/zinc/18/79/31/445187931.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 1 3 326.485 1.127 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)c1 ZINC000337573754 445144956 /nfs/dbraw/zinc/14/49/56/445144956.db2.gz FWXBJULDPYIPOT-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cnn(C)c1 ZINC000337573754 445144961 /nfs/dbraw/zinc/14/49/61/445144961.db2.gz FWXBJULDPYIPOT-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079113 445160707 /nfs/dbraw/zinc/16/07/07/445160707.db2.gz DUORMEWDDIXSDV-YESZJQIVSA-N 1 3 344.459 1.462 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000346972448 445228955 /nfs/dbraw/zinc/22/89/55/445228955.db2.gz HJNFWYNLISLZPV-MRXNPFEDSA-N 1 3 329.510 1.312 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000343490556 445233055 /nfs/dbraw/zinc/23/30/55/445233055.db2.gz AQHYFJVVJVZJGK-NVXWUHKLSA-N 1 3 333.480 1.194 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347506853 445240035 /nfs/dbraw/zinc/24/00/35/445240035.db2.gz SLHSKSWUVQPIRS-IBGZPJMESA-N 1 3 342.487 1.532 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347506853 445240037 /nfs/dbraw/zinc/24/00/37/445240037.db2.gz SLHSKSWUVQPIRS-IBGZPJMESA-N 1 3 342.487 1.532 20 0 EDADHO [NH3+]CCOCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000357082155 445414854 /nfs/dbraw/zinc/41/48/54/445414854.db2.gz HETZZMDZDGHUCI-LBPRGKRZSA-N 1 3 326.828 1.361 20 0 EDADHO CC1CCN([C@H](CNC(=O)CCOC2C[NH2+]C2)c2ccccc2)CC1 ZINC000349007848 445474096 /nfs/dbraw/zinc/47/40/96/445474096.db2.gz VGCFSGITWWORGY-LJQANCHMSA-N 1 3 345.487 1.954 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663029 445485072 /nfs/dbraw/zinc/48/50/72/445485072.db2.gz KMSHCMQBCZWBER-JSGCOSHPSA-N 1 3 346.431 1.292 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663029 445485075 /nfs/dbraw/zinc/48/50/75/445485075.db2.gz KMSHCMQBCZWBER-JSGCOSHPSA-N 1 3 346.431 1.292 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000357876891 445589411 /nfs/dbraw/zinc/58/94/11/445589411.db2.gz YXDOVWQATARMFO-LSDHHAIUSA-N 1 3 342.553 1.986 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000353034898 445572760 /nfs/dbraw/zinc/57/27/60/445572760.db2.gz VTYZFMBJMZBXNW-MRXNPFEDSA-N 1 3 340.512 1.253 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC[C@@H]1Cc2ccccc2O1 ZINC000358515563 445627914 /nfs/dbraw/zinc/62/79/14/445627914.db2.gz ZENLXZZBHQKBRN-INIZCTEOSA-N 1 3 329.444 1.182 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358520543 445630369 /nfs/dbraw/zinc/63/03/69/445630369.db2.gz VXOYWYFXQGTBJH-CYBMUJFWSA-N 1 3 330.432 1.188 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050881 445591021 /nfs/dbraw/zinc/59/10/21/445591021.db2.gz SUGHBCALOFIHNI-APWZRJJASA-N 1 3 345.487 1.810 20 0 EDADHO NC(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000353423095 445595058 /nfs/dbraw/zinc/59/50/58/445595058.db2.gz DAUBBBDBTBPIHV-CQSZACIVSA-N 1 3 329.366 1.904 20 0 EDADHO CCN(CC)CC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000363110724 445681521 /nfs/dbraw/zinc/68/15/21/445681521.db2.gz LNDQOEWHOYTHIY-UHFFFAOYSA-N 1 3 332.492 1.889 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCCC1 ZINC000358658577 445699054 /nfs/dbraw/zinc/69/90/54/445699054.db2.gz FFNRSMAUYHCNRH-SJLPKXTDSA-N 1 3 340.512 1.253 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353588911 445669154 /nfs/dbraw/zinc/66/91/54/445669154.db2.gz OEPWJOMGRIRACT-KSZLIROESA-N 1 3 345.487 1.816 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCN(C)CC1 ZINC000361267928 445757141 /nfs/dbraw/zinc/75/71/41/445757141.db2.gz CKTLYPFQUHORTE-GUDVDZBRSA-N 1 3 338.540 1.103 20 0 EDADHO COCCCN1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312413 445761636 /nfs/dbraw/zinc/76/16/36/445761636.db2.gz KVJBYPVVLIXZCC-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO COc1cccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000361494800 445787449 /nfs/dbraw/zinc/78/74/49/445787449.db2.gz AAKIYBYJCOZFCO-QGZVFWFLSA-N 1 3 335.492 1.736 20 0 EDADHO [NH3+]C[C@@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358858374 445814875 /nfs/dbraw/zinc/81/48/75/445814875.db2.gz RANQCLKLGNOYCY-GOSISDBHSA-N 1 3 349.450 1.439 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCSC3)CC2)CC1 ZINC000361763886 445925803 /nfs/dbraw/zinc/92/58/03/445925803.db2.gz JLEIADGEDRWCLL-OAHLLOKOSA-N 1 3 340.537 1.740 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000583682519 326117455 /nfs/dbraw/zinc/11/74/55/326117455.db2.gz ZFTNECUENGUHCO-MSOLQXFVSA-N 1 3 330.476 1.875 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000583867365 326155406 /nfs/dbraw/zinc/15/54/06/326155406.db2.gz DGQMWMFXZVKHGT-KRWDZBQOSA-N 1 3 335.492 1.350 20 0 EDADHO COCCN(CCN(C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000584122193 326204674 /nfs/dbraw/zinc/20/46/74/326204674.db2.gz KAFRGYSQDDVLOH-MRXNPFEDSA-N 1 3 343.537 1.241 20 0 EDADHO CN(C)CCOc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000365433384 446205157 /nfs/dbraw/zinc/20/51/57/446205157.db2.gz WRJLPARYPXARFL-UHFFFAOYSA-N 1 3 346.475 1.769 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489956 446229782 /nfs/dbraw/zinc/22/97/82/446229782.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 1 3 330.476 1.145 20 0 EDADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489956 446229783 /nfs/dbraw/zinc/22/97/83/446229783.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 1 3 330.476 1.145 20 0 EDADHO CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@](C)(N)c3ccccc3)C2)CC1 ZINC000365489956 446229785 /nfs/dbraw/zinc/22/97/85/446229785.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 1 3 330.476 1.145 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564099 446256308 /nfs/dbraw/zinc/25/63/08/446256308.db2.gz DUPXOGHKCWAOMJ-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564099 446256309 /nfs/dbraw/zinc/25/63/09/446256309.db2.gz DUPXOGHKCWAOMJ-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccco1 ZINC000370577467 446339057 /nfs/dbraw/zinc/33/90/57/446339057.db2.gz HCYPFTKCVSZDPF-OAGGEKHMSA-N 1 3 335.448 1.488 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCNC(=O)c1ccco1 ZINC000370577467 446339063 /nfs/dbraw/zinc/33/90/63/446339063.db2.gz HCYPFTKCVSZDPF-OAGGEKHMSA-N 1 3 335.448 1.488 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417369885 446349680 /nfs/dbraw/zinc/34/96/80/446349680.db2.gz SUYOJPNHVKTAHB-HNNXBMFYSA-N 1 3 334.464 1.378 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417437507 446352236 /nfs/dbraw/zinc/35/22/36/446352236.db2.gz HHEHBIVJLQHOFV-GDBMZVCRSA-N 1 3 326.485 1.304 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417589100 446365106 /nfs/dbraw/zinc/36/51/06/446365106.db2.gz VGJPVXPYRRDEOP-HNNXBMFYSA-N 1 3 340.512 1.694 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417738742 446372269 /nfs/dbraw/zinc/37/22/69/446372269.db2.gz PLOZDUIVZSFPAX-LSDHHAIUSA-N 1 3 330.476 1.477 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000417362884 446348935 /nfs/dbraw/zinc/34/89/35/446348935.db2.gz LJTYQBCJRQRRTD-GOEBONIOSA-N 1 3 334.464 1.554 20 0 EDADHO COc1ccc([C@H](NC[C@@H]2CCCN2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144946 446440736 /nfs/dbraw/zinc/44/07/36/446440736.db2.gz ILDFVAZVFWKGKP-IHPCNDPISA-N 1 3 347.503 1.925 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171719 446445654 /nfs/dbraw/zinc/44/56/54/446445654.db2.gz VJFNMUXMHRJMGJ-KBPBESRZSA-N 1 3 336.436 1.093 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418179408 446448263 /nfs/dbraw/zinc/44/82/63/446448263.db2.gz ZQXIQFVZVKYJNI-CQSZACIVSA-N 1 3 334.464 1.554 20 0 EDADHO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(-n2cnnn2)cc1 ZINC000423189847 446448542 /nfs/dbraw/zinc/44/85/42/446448542.db2.gz QAGIKQPNSPESBH-OAHLLOKOSA-N 1 3 337.431 1.888 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420282683 446450343 /nfs/dbraw/zinc/45/03/43/446450343.db2.gz BAEUMHJHUBFLKO-ZWKOTPCHSA-N 1 3 334.508 1.711 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418185831 446451050 /nfs/dbraw/zinc/45/10/50/446451050.db2.gz BMBIHHLISBVPBO-OAHLLOKOSA-N 1 3 349.479 1.292 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418017700 446417127 /nfs/dbraw/zinc/41/71/27/446417127.db2.gz SWSLQXGMGCKQRV-LMSBXDPUSA-N 1 3 330.476 1.886 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000418020158 446417389 /nfs/dbraw/zinc/41/73/89/446417389.db2.gz ZICJNJJMYKWWJI-BPQIPLTHSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017817 446417771 /nfs/dbraw/zinc/41/77/71/446417771.db2.gz UDTSIONBESNKNB-HPBDAGMYSA-N 1 3 328.460 1.510 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](N(C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299870 446461225 /nfs/dbraw/zinc/46/12/25/446461225.db2.gz JPUAOQCVLYPXLJ-KSSFIOAISA-N 1 3 347.459 1.741 20 0 EDADHO CC[C@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CCOC ZINC000420309750 446473120 /nfs/dbraw/zinc/47/31/20/446473120.db2.gz FEYFFRHEMWDEJT-ROUUACIJSA-N 1 3 335.492 1.780 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418282974 446482812 /nfs/dbraw/zinc/48/28/12/446482812.db2.gz ZGUVKHIZVXNCEJ-QGZVFWFLSA-N 1 3 333.480 1.687 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(CN(C)C)c2)CCCO1 ZINC000432546975 446484556 /nfs/dbraw/zinc/48/45/56/446484556.db2.gz QMTLDJULEXYPDD-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(CN(C)C)c2)CCCO1 ZINC000432546975 446484562 /nfs/dbraw/zinc/48/45/62/446484562.db2.gz QMTLDJULEXYPDD-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423318621 446486894 /nfs/dbraw/zinc/48/68/94/446486894.db2.gz CRDALENAVAJSHU-ILXRZTDVSA-N 1 3 333.480 1.869 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363740 446501153 /nfs/dbraw/zinc/50/11/53/446501153.db2.gz VDBOIJKZUIMIHX-OAHLLOKOSA-N 1 3 336.484 1.401 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367601 446503123 /nfs/dbraw/zinc/50/31/23/446503123.db2.gz DJBSRKAXHSPLGF-CABCVRRESA-N 1 3 333.480 1.491 20 0 EDADHO COC[C@]1(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368591 446504984 /nfs/dbraw/zinc/50/49/84/446504984.db2.gz BFAIMCHAGBEYPX-BEFAXECRSA-N 1 3 333.476 1.858 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)C1CCCCC1 ZINC000418343122 446508419 /nfs/dbraw/zinc/50/84/19/446508419.db2.gz AMFFWACIHXYKPL-JKSUJKDBSA-N 1 3 326.485 1.040 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H](C)CCN3)CCCC2)CC1 ZINC000423391229 446513990 /nfs/dbraw/zinc/51/39/90/446513990.db2.gz NJEDLOKRHFEJMS-WBVHZDCISA-N 1 3 337.508 1.914 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492175 446563544 /nfs/dbraw/zinc/56/35/44/446563544.db2.gz PECUETOKIGNVPL-RDJZCZTQSA-N 1 3 333.480 1.672 20 0 EDADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348269 446522689 /nfs/dbraw/zinc/52/26/89/446522689.db2.gz KLQKGRGYOBQLKE-HNNXBMFYSA-N 1 3 334.439 1.442 20 0 EDADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000367411140 446542980 /nfs/dbraw/zinc/54/29/80/446542980.db2.gz WSAVWQGVXXRMTM-MRXNPFEDSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000367411140 446542988 /nfs/dbraw/zinc/54/29/88/446542988.db2.gz WSAVWQGVXXRMTM-MRXNPFEDSA-N 1 3 330.476 1.997 20 0 EDADHO COCC[NH+](CCOC)C1CCN(CCC2CCOCC2)CC1 ZINC000433206578 446547928 /nfs/dbraw/zinc/54/79/28/446547928.db2.gz OIWQTRNZUAVCSW-UHFFFAOYSA-N 1 3 328.497 1.862 20 0 EDADHO CCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418464171 446554106 /nfs/dbraw/zinc/55/41/06/446554106.db2.gz AORLXVMFCLJVSO-ROUUACIJSA-N 1 3 348.491 1.168 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)N(C)C ZINC000453598202 446568759 /nfs/dbraw/zinc/56/87/59/446568759.db2.gz ODJBTUNTWKDEAP-WBMJQRKESA-N 1 3 332.448 1.240 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000420418599 446592688 /nfs/dbraw/zinc/59/26/88/446592688.db2.gz XAKAHGMINGVPAM-BPQIPLTHSA-N 1 3 332.492 1.322 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654034 446635687 /nfs/dbraw/zinc/63/56/87/446635687.db2.gz BJVTXJURTNFNCL-SJORKVTESA-N 1 3 334.464 1.439 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751788 446671159 /nfs/dbraw/zinc/67/11/59/446671159.db2.gz RQNOIEVXHIAJEL-UONOGXRCSA-N 1 3 344.381 1.725 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000418795680 446708015 /nfs/dbraw/zinc/70/80/15/446708015.db2.gz SIDZRRIJOKODIQ-LMMKCTJWSA-N 1 3 346.475 1.050 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CN3CCN2CCC3)cc1 ZINC000371251428 446716227 /nfs/dbraw/zinc/71/62/27/446716227.db2.gz LLGOBHQXQZOMLC-LJQANCHMSA-N 1 3 344.503 1.535 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000423752267 446682344 /nfs/dbraw/zinc/68/23/44/446682344.db2.gz VWZTYSIHBGGJFQ-CRUJUIQGSA-N 1 3 337.508 1.756 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903622 446753711 /nfs/dbraw/zinc/75/37/11/446753711.db2.gz NFKTVBRMDYCTPD-ASKNOMKYSA-N 1 3 349.519 1.994 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903622 446753721 /nfs/dbraw/zinc/75/37/21/446753721.db2.gz NFKTVBRMDYCTPD-ASKNOMKYSA-N 1 3 349.519 1.994 20 0 EDADHO CC(C)COC[C@@H](O)C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000368329043 446790012 /nfs/dbraw/zinc/79/00/12/446790012.db2.gz BSYCBAPFAWHOJG-SFHVURJKSA-N 1 3 341.540 1.369 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCCC[C@H]1C ZINC000438695793 446796980 /nfs/dbraw/zinc/79/69/80/446796980.db2.gz LUGVEPRIBLRNKE-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCCC[C@H]1C ZINC000438695793 446796984 /nfs/dbraw/zinc/79/69/84/446796984.db2.gz LUGVEPRIBLRNKE-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140042 446859530 /nfs/dbraw/zinc/85/95/30/446859530.db2.gz AWVURSUHGMVUBU-RBSFLKMASA-N 1 3 334.468 1.053 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000424462014 446878696 /nfs/dbraw/zinc/87/86/96/446878696.db2.gz LXMIUTKTCYTXGD-KZNAEPCWSA-N 1 3 346.475 1.322 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615254 446981933 /nfs/dbraw/zinc/98/19/33/446981933.db2.gz POCQTFIFMLFDHG-XHSDSOJGSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615254 446981941 /nfs/dbraw/zinc/98/19/41/446981941.db2.gz POCQTFIFMLFDHG-XHSDSOJGSA-N 1 3 347.459 1.522 20 0 EDADHO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615254 446981946 /nfs/dbraw/zinc/98/19/46/446981946.db2.gz POCQTFIFMLFDHG-XHSDSOJGSA-N 1 3 347.459 1.522 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H](N)c1ccccc1 ZINC000372099441 447000554 /nfs/dbraw/zinc/00/05/54/447000554.db2.gz UVYDISXFPHYMQE-UHOSZYNNSA-N 1 3 344.503 1.561 20 0 EDADHO C[C@H](C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@H](N)c1ccccc1 ZINC000372099441 447000560 /nfs/dbraw/zinc/00/05/60/447000560.db2.gz UVYDISXFPHYMQE-UHOSZYNNSA-N 1 3 344.503 1.561 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444167815 447084717 /nfs/dbraw/zinc/08/47/17/447084717.db2.gz NUGCWUPVQNSKLL-MJGOQNOKSA-N 1 3 331.460 1.285 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568289 447147592 /nfs/dbraw/zinc/14/75/92/447147592.db2.gz GPJRUDVVYMJPJJ-GPMSIDNRSA-N 1 3 329.444 1.803 20 0 EDADHO C[C@@H](CNC(=O)NCC1(N2CCSCC2)CCCCC1)[NH+](C)C ZINC000455432902 447128791 /nfs/dbraw/zinc/12/87/91/447128791.db2.gz NXLBOPXMLCYTBB-HNNXBMFYSA-N 1 3 342.553 1.987 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419584472 447280505 /nfs/dbraw/zinc/28/05/05/447280505.db2.gz KVCIZWJSMHKVCT-PBHICJAKSA-N 1 3 346.475 1.313 20 0 EDADHO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000494660129 447454219 /nfs/dbraw/zinc/45/42/19/447454219.db2.gz URLQOVQVEOTJRY-KGLIPLIRSA-N 1 3 329.485 1.725 20 0 EDADHO COC1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885369 447488798 /nfs/dbraw/zinc/48/87/98/447488798.db2.gz RAPXKNDMJDPCBP-WBVHZDCISA-N 1 3 331.460 1.392 20 0 EDADHO COCCOC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494692 447506452 /nfs/dbraw/zinc/50/64/52/447506452.db2.gz OBTXQWWWXVBRFD-PKOBYXMFSA-N 1 3 342.524 1.987 20 0 EDADHO COCCOC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000450494692 447506458 /nfs/dbraw/zinc/50/64/58/447506458.db2.gz OBTXQWWWXVBRFD-PKOBYXMFSA-N 1 3 342.524 1.987 20 0 EDADHO CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000393083966 447529446 /nfs/dbraw/zinc/52/94/46/447529446.db2.gz IIIZBCHHSYRCIX-RTBURBONSA-N 1 3 346.519 1.855 20 0 EDADHO CN(C)CC[C@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000420001467 447538840 /nfs/dbraw/zinc/53/88/40/447538840.db2.gz RNOGRKVQKSWXAZ-IBGZPJMESA-N 1 3 333.476 1.715 20 0 EDADHO O=C1O[C@@]2(CN1CN1CC[C@@H]([NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000495860175 447608917 /nfs/dbraw/zinc/60/89/17/447608917.db2.gz XGAIHJANMLMJQI-SJLPKXTDSA-N 1 3 334.464 1.031 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CCN(C[C@H](C)O)CC2)CC1 ZINC000428394531 447696092 /nfs/dbraw/zinc/69/60/92/447696092.db2.gz BJKMKUQDFLZDIB-SFHVURJKSA-N 1 3 346.519 1.327 20 0 EDADHO COc1cc(C[C@H](CO)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc(OC)c1 ZINC000422833492 447763678 /nfs/dbraw/zinc/76/36/78/447763678.db2.gz YUVCHJITMZHVTC-SIXWZSSISA-N 1 3 336.476 1.833 20 0 EDADHO COc1cc(C[C@H](CO)C[NH2+][C@@H]2CCNCC[C@H]2C)cc(OC)c1 ZINC000422833492 447763680 /nfs/dbraw/zinc/76/36/80/447763680.db2.gz YUVCHJITMZHVTC-SIXWZSSISA-N 1 3 336.476 1.833 20 0 EDADHO CC(C)(CNC(=O)N1CC[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417088374 447733601 /nfs/dbraw/zinc/73/36/01/447733601.db2.gz KHFGOTREZSSYKK-HNNXBMFYSA-N 1 3 330.476 1.814 20 0 EDADHO COC[C@@H]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087896 447814520 /nfs/dbraw/zinc/81/45/20/447814520.db2.gz PRNFFVBKIWEBEF-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843040 447766601 /nfs/dbraw/zinc/76/66/01/447766601.db2.gz GUHQENSVZDSCSA-DLBZAZTESA-N 1 3 345.491 1.227 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843040 447766607 /nfs/dbraw/zinc/76/66/07/447766607.db2.gz GUHQENSVZDSCSA-DLBZAZTESA-N 1 3 345.491 1.227 20 0 EDADHO C[C@H](CN1CCN(C)CC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860203 447769315 /nfs/dbraw/zinc/76/93/15/447769315.db2.gz MAUOMMOJEUJRFQ-IMFGXOCKSA-N 1 3 344.503 1.468 20 0 EDADHO CCS(=O)(=O)N(C)CCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862303 447770798 /nfs/dbraw/zinc/77/07/98/447770798.db2.gz PUCPJJRFHGZQRK-GDBMZVCRSA-N 1 3 327.494 1.206 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422913833 447771597 /nfs/dbraw/zinc/77/15/97/447771597.db2.gz QWAYGSAZERUFLE-CVEARBPZSA-N 1 3 332.492 1.728 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000422986773 447788209 /nfs/dbraw/zinc/78/82/09/447788209.db2.gz HHTNZONYMBDFQW-RYQLBKOJSA-N 1 3 325.460 1.994 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000423032142 447794560 /nfs/dbraw/zinc/79/45/60/447794560.db2.gz VTZJETFVMPVJCM-ROUUACIJSA-N 1 3 332.492 1.007 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051831 447798777 /nfs/dbraw/zinc/79/87/77/447798777.db2.gz OGSYKAVBSMOMPZ-CABCVRRESA-N 1 3 328.478 1.501 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000423077147 447799598 /nfs/dbraw/zinc/79/95/98/447799598.db2.gz SQHNXXUMRACNQK-MAUKXSAKSA-N 1 3 325.460 1.994 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2ccc(C)n(C)c2=O)CC[NH2+]CC1 ZINC000423091208 447803723 /nfs/dbraw/zinc/80/37/23/447803723.db2.gz WYYXPCWTZHEHQH-CQSZACIVSA-N 1 3 335.448 1.105 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471649855 447807369 /nfs/dbraw/zinc/80/73/69/447807369.db2.gz QXLHCPWVBVJMPR-HNNXBMFYSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471649855 447807371 /nfs/dbraw/zinc/80/73/71/447807371.db2.gz QXLHCPWVBVJMPR-HNNXBMFYSA-N 1 3 328.501 1.374 20 0 EDADHO O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000575991961 447946316 /nfs/dbraw/zinc/94/63/16/447946316.db2.gz JXMIDGMLIZCGDG-MSOLQXFVSA-N 1 3 334.508 1.336 20 0 EDADHO CN1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552034777 447929844 /nfs/dbraw/zinc/92/98/44/447929844.db2.gz XLMBTFFKMBCWRH-ULQDDVLXSA-N 1 3 337.489 1.427 20 0 EDADHO CC1(C)CCN(CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000553223257 447978687 /nfs/dbraw/zinc/97/86/87/447978687.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 1 3 345.487 1.601 20 0 EDADHO CC1(C)CCN(CC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000553223257 447978693 /nfs/dbraw/zinc/97/86/93/447978693.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 1 3 345.487 1.601 20 0 EDADHO CN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000497250214 448005351 /nfs/dbraw/zinc/00/53/51/448005351.db2.gz BUKMCYXZDAUGDV-UHFFFAOYSA-N 1 3 341.500 1.890 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531058652 448010649 /nfs/dbraw/zinc/01/06/49/448010649.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 1 3 331.460 1.222 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000531058652 448010654 /nfs/dbraw/zinc/01/06/54/448010654.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 1 3 331.460 1.222 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000530819343 447965848 /nfs/dbraw/zinc/96/58/48/447965848.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 1 3 343.471 1.319 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C2CC2)C1 ZINC000530819343 447965854 /nfs/dbraw/zinc/96/58/54/447965854.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 1 3 343.471 1.319 20 0 EDADHO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000576465650 448061503 /nfs/dbraw/zinc/06/15/03/448061503.db2.gz HXVKNQHQURHQEI-MSOLQXFVSA-N 1 3 330.476 1.942 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCCC[C@H]1C ZINC000570634974 448039708 /nfs/dbraw/zinc/03/97/08/448039708.db2.gz QOFXRPKROXWOGD-QLFBSQMISA-N 1 3 334.468 1.023 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000502757301 448105429 /nfs/dbraw/zinc/10/54/29/448105429.db2.gz ZVIJPBQNVBTCDA-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497019538 448128356 /nfs/dbraw/zinc/12/83/56/448128356.db2.gz JDMPLGHUTJICLO-JKSUJKDBSA-N 1 3 343.512 1.782 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497019538 448128361 /nfs/dbraw/zinc/12/83/61/448128361.db2.gz JDMPLGHUTJICLO-JKSUJKDBSA-N 1 3 343.512 1.782 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547372 448171478 /nfs/dbraw/zinc/17/14/78/448171478.db2.gz JILXWZUBQUVVMF-OAHLLOKOSA-N 1 3 334.468 1.708 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000532210072 448215703 /nfs/dbraw/zinc/21/57/03/448215703.db2.gz OCKFBOLZWJZHMY-MDZRGWNJSA-N 1 3 345.487 1.977 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000582497675 448254949 /nfs/dbraw/zinc/25/49/49/448254949.db2.gz XXFZOUGBCDENKJ-KBPBESRZSA-N 1 3 341.452 1.725 20 0 EDADHO CCC1(CC)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H]1OC ZINC000532594749 448278834 /nfs/dbraw/zinc/27/88/34/448278834.db2.gz WKTCRVLGNWRDKF-HOTGVXAUSA-N 1 3 342.528 1.715 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000515809218 448352206 /nfs/dbraw/zinc/35/22/06/448352206.db2.gz PDOSFFKZQOAZNA-ZWKOTPCHSA-N 1 3 330.476 1.950 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN(C3CCOCC3)CC2)cc1 ZINC000516185702 448394441 /nfs/dbraw/zinc/39/44/41/448394441.db2.gz KECKAGHDHGKVJD-QGZVFWFLSA-N 1 3 333.476 1.534 20 0 EDADHO [NH3+]CCCCC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000572518297 448400200 /nfs/dbraw/zinc/40/02/00/448400200.db2.gz LBZHIDVWVWTHGA-UHFFFAOYSA-N 1 3 337.439 1.914 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963553 448428711 /nfs/dbraw/zinc/42/87/11/448428711.db2.gz DWPRPYMQEISLNY-STQMWFEESA-N 1 3 345.896 1.868 20 0 EDADHO CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000578084335 448458964 /nfs/dbraw/zinc/45/89/64/448458964.db2.gz WMLDCINYOQHTSR-QGZVFWFLSA-N 1 3 346.475 1.789 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566400886 448459829 /nfs/dbraw/zinc/45/98/29/448459829.db2.gz IRVWQOJIGSEYJA-BRWVUGGUSA-N 1 3 338.496 1.128 20 0 EDADHO CN(CCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1)Cc1ccco1 ZINC000516660861 448460618 /nfs/dbraw/zinc/46/06/18/448460618.db2.gz DOBIAZJRTNYUCS-UHFFFAOYSA-N 1 3 347.463 1.632 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480863 448487886 /nfs/dbraw/zinc/48/78/86/448487886.db2.gz BHFYGUWMLHPUFC-IRXDYDNUSA-N 1 3 330.476 1.585 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480863 448487891 /nfs/dbraw/zinc/48/78/91/448487891.db2.gz BHFYGUWMLHPUFC-IRXDYDNUSA-N 1 3 330.476 1.585 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000584471148 448540422 /nfs/dbraw/zinc/54/04/22/448540422.db2.gz ZVZRTPIOQUMFSI-CXAGYDPISA-N 1 3 325.416 1.185 20 0 EDADHO COCCc1noc(CC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000528629149 448609705 /nfs/dbraw/zinc/60/97/05/448609705.db2.gz XCPHRQMJFKARSQ-MRXNPFEDSA-N 1 3 336.480 1.997 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566903738 448580998 /nfs/dbraw/zinc/58/09/98/448580998.db2.gz IQZPSVXMYVJKCJ-IAGOWNOFSA-N 1 3 346.475 1.378 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CCN(C)CC2)CC1 ZINC000538374148 448583916 /nfs/dbraw/zinc/58/39/16/448583916.db2.gz BYWUQFCCUIBGRL-UHFFFAOYSA-N 1 3 338.496 1.437 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000567240908 448647775 /nfs/dbraw/zinc/64/77/75/448647775.db2.gz FIMGSCHLQQQAIZ-INIZCTEOSA-N 1 3 339.528 1.030 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3(O)CCC3)CC2)CC1 ZINC000579242821 448752237 /nfs/dbraw/zinc/75/22/37/448752237.db2.gz MBIGOTUSHYIFGI-UHFFFAOYSA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545883141 448803009 /nfs/dbraw/zinc/80/30/09/448803009.db2.gz OXUJLUZNLNLVDH-FUHWJXTLSA-N 1 3 340.512 1.109 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCC(C)CC1 ZINC000545883140 448803501 /nfs/dbraw/zinc/80/35/01/448803501.db2.gz OXUJLUZNLNLVDH-AEFFLSMTSA-N 1 3 340.512 1.109 20 0 EDADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)ncn1 ZINC000574188781 448813623 /nfs/dbraw/zinc/81/36/23/448813623.db2.gz ZQXZNQFPEWDEIV-BSWAZPDLSA-N 1 3 333.480 1.350 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC(C)CC2)cc1 ZINC000579375641 448781885 /nfs/dbraw/zinc/78/18/85/448781885.db2.gz OZIMVNAQMRHXNW-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO C[NH+](C)CC1(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000545283884 448784276 /nfs/dbraw/zinc/78/42/76/448784276.db2.gz XIABPOKMRJSXOV-QGZVFWFLSA-N 1 3 330.476 1.894 20 0 EDADHO C[N@H+](CCC(=O)NC[C@@H]1CCCCN1CCO)C1CCCCC1 ZINC000574130761 448796316 /nfs/dbraw/zinc/79/63/16/448796316.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 1 3 325.497 1.604 20 0 EDADHO C[N@@H+](CCC(=O)NC[C@@H]1CCCCN1CCO)C1CCCCC1 ZINC000574130761 448796322 /nfs/dbraw/zinc/79/63/22/448796322.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 1 3 325.497 1.604 20 0 EDADHO CCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000579463503 448798959 /nfs/dbraw/zinc/79/89/59/448798959.db2.gz WLMRZMGPYGVNEQ-UHFFFAOYSA-N 1 3 328.453 1.921 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000529323059 448822964 /nfs/dbraw/zinc/82/29/64/448822964.db2.gz CBZHYXMMTBCOKF-WBVHZDCISA-N 1 3 346.475 1.457 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000574803628 448959372 /nfs/dbraw/zinc/95/93/72/448959372.db2.gz OIOHMRQLMVVWFH-OAHLLOKOSA-N 1 3 333.480 1.509 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000521314952 448970490 /nfs/dbraw/zinc/97/04/90/448970490.db2.gz AFELPLRZLULOCI-FUHWJXTLSA-N 1 3 339.524 1.993 20 0 EDADHO CCN1CCN(CCCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000521880798 449023920 /nfs/dbraw/zinc/02/39/20/449023920.db2.gz FXORUAQCCCIIPQ-MRXNPFEDSA-N 1 3 332.492 1.854 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000574916026 448990243 /nfs/dbraw/zinc/99/02/43/448990243.db2.gz UQJGJWYGMKCUPG-CGTJXYLNSA-N 1 3 330.476 1.927 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900832 449241585 /nfs/dbraw/zinc/24/15/85/449241585.db2.gz MVIFYSJWOUPKIM-HOCLYGCPSA-N 1 3 338.496 1.568 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000590739313 449263817 /nfs/dbraw/zinc/26/38/17/449263817.db2.gz OIRDXSYSSQYTSP-SFHVURJKSA-N 1 3 330.476 1.848 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)[C@H]1SC ZINC000590956646 449358624 /nfs/dbraw/zinc/35/86/24/449358624.db2.gz SZGUVPZESRUYGG-XLNGHYISSA-N 1 3 327.538 1.654 20 0 EDADHO COCc1csc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000617502627 449647120 /nfs/dbraw/zinc/64/71/20/449647120.db2.gz WQKADMWEWKOKER-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO COCc1csc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000617502627 449647126 /nfs/dbraw/zinc/64/71/26/449647126.db2.gz WQKADMWEWKOKER-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505019 449648975 /nfs/dbraw/zinc/64/89/75/449648975.db2.gz TZTOFEXGRXOLTC-JKSUJKDBSA-N 1 3 340.512 1.166 20 0 EDADHO CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505019 449648979 /nfs/dbraw/zinc/64/89/79/449648979.db2.gz TZTOFEXGRXOLTC-JKSUJKDBSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCCN(C)C3)cc2)CC1 ZINC000608356997 449817277 /nfs/dbraw/zinc/81/72/77/449817277.db2.gz ZROUPESTEAXCKU-KRWDZBQOSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608356997 449817283 /nfs/dbraw/zinc/81/72/83/449817283.db2.gz ZROUPESTEAXCKU-KRWDZBQOSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000608356997 449817288 /nfs/dbraw/zinc/81/72/88/449817288.db2.gz ZROUPESTEAXCKU-KRWDZBQOSA-N 1 3 330.476 1.653 20 0 EDADHO C[N@H+](CC(=O)NCCCN1CCN(c2ccccc2)CC1)C1CCC1 ZINC000608500762 449860885 /nfs/dbraw/zinc/86/08/85/449860885.db2.gz CMZVPCGOYUNURM-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO C[N@@H+](CC(=O)NCCCN1CCN(c2ccccc2)CC1)C1CCC1 ZINC000608500762 449860889 /nfs/dbraw/zinc/86/08/89/449860889.db2.gz CMZVPCGOYUNURM-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523731 450212400 /nfs/dbraw/zinc/21/24/00/450212400.db2.gz YPOBUNBXKWAVFB-IEBWSBKVSA-N 1 3 331.460 1.049 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000618825959 450314457 /nfs/dbraw/zinc/31/44/57/450314457.db2.gz IXJIARIZMAVMTH-GOSISDBHSA-N 1 3 330.476 1.258 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000618825959 450314465 /nfs/dbraw/zinc/31/44/65/450314465.db2.gz IXJIARIZMAVMTH-GOSISDBHSA-N 1 3 330.476 1.258 20 0 EDADHO CN1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000618825959 450314470 /nfs/dbraw/zinc/31/44/70/450314470.db2.gz IXJIARIZMAVMTH-GOSISDBHSA-N 1 3 330.476 1.258 20 0 EDADHO CN(C)[C@@H](CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478871 450498403 /nfs/dbraw/zinc/49/84/03/450498403.db2.gz JISYPHKMMWZYKD-MOPGFXCFSA-N 1 3 345.487 1.737 20 0 EDADHO CN(C)[C@@H](CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478871 450498405 /nfs/dbraw/zinc/49/84/05/450498405.db2.gz JISYPHKMMWZYKD-MOPGFXCFSA-N 1 3 345.487 1.737 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633012714 450610133 /nfs/dbraw/zinc/61/01/33/450610133.db2.gz IEMVZYDDEIKCNN-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nc(N)nc(N)n3)cc2)C1 ZINC000623864463 450619040 /nfs/dbraw/zinc/61/90/40/450619040.db2.gz PHXUILKPWUZTGL-STQMWFEESA-N 1 3 341.463 1.209 20 0 EDADHO CCN(CC[NH3+])[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000629556697 450734742 /nfs/dbraw/zinc/73/47/42/450734742.db2.gz OOJCVDSPTLDVCY-MRXNPFEDSA-N 1 3 332.492 1.436 20 0 EDADHO CCc1cc(N2CCC(NC[C@H](O)C[NH+]3CCCC3)CC2)ncn1 ZINC000629567598 450740416 /nfs/dbraw/zinc/74/04/16/450740416.db2.gz YUQIBNYRTQRKAD-KRWDZBQOSA-N 1 3 333.480 1.054 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCCN2CCCC2)C1 ZINC000631758803 450754623 /nfs/dbraw/zinc/75/46/23/450754623.db2.gz JTQKFDBUCWDLBS-CALCHBBNSA-N 1 3 345.553 1.760 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)CCCN2CCCC2)C1 ZINC000631758803 450754625 /nfs/dbraw/zinc/75/46/25/450754625.db2.gz JTQKFDBUCWDLBS-CALCHBBNSA-N 1 3 345.553 1.760 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCN(CC)CC)CC(C)C ZINC000627461347 450754710 /nfs/dbraw/zinc/75/47/10/450754710.db2.gz MYVBUDCQLDAYRV-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO [NH3+]Cc1cn([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)nn1 ZINC000629648528 450770394 /nfs/dbraw/zinc/77/03/94/450770394.db2.gz QFKUWMZZXHTBIN-QGZVFWFLSA-N 1 3 325.416 1.850 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N(C)C ZINC000635254805 450785727 /nfs/dbraw/zinc/78/57/27/450785727.db2.gz IGODEPWFMCUPSY-KPFFTGBYSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2)N(C)C ZINC000635254805 450785730 /nfs/dbraw/zinc/78/57/30/450785730.db2.gz IGODEPWFMCUPSY-KPFFTGBYSA-N 1 3 345.487 1.591 20 0 EDADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000621693086 450837035 /nfs/dbraw/zinc/83/70/35/450837035.db2.gz TZHFBBZVCQYCDD-LNLFQRSKSA-N 1 3 328.460 1.633 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828235 450800711 /nfs/dbraw/zinc/80/07/11/450800711.db2.gz JNWNPTPUMSXJKA-KRWDZBQOSA-N 1 3 327.432 1.647 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828235 450800713 /nfs/dbraw/zinc/80/07/13/450800713.db2.gz JNWNPTPUMSXJKA-KRWDZBQOSA-N 1 3 327.432 1.647 20 0 EDADHO Cn1c2cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828392 450801581 /nfs/dbraw/zinc/80/15/81/450801581.db2.gz NYPNCFRXAGZIKY-MAUKXSAKSA-N 1 3 345.443 1.850 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921100 450880092 /nfs/dbraw/zinc/88/00/92/450880092.db2.gz MZZSZPPGAJIXTK-HZPDHXFCSA-N 1 3 331.526 1.655 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1CN(C)C ZINC000626852017 450958727 /nfs/dbraw/zinc/95/87/27/450958727.db2.gz VPCZHAVTWXCNLI-INIZCTEOSA-N 1 3 344.459 1.396 20 0 EDADHO O[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000630035880 450966733 /nfs/dbraw/zinc/96/67/33/450966733.db2.gz JQFZYBCALAJKFE-QGZVFWFLSA-N 1 3 326.481 1.087 20 0 EDADHO C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)N(C)Cc1ccccc1 ZINC000626974470 451044403 /nfs/dbraw/zinc/04/44/03/451044403.db2.gz GZPJEJBEXAFQDW-HNNXBMFYSA-N 1 3 334.464 1.314 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626922018 451005881 /nfs/dbraw/zinc/00/58/81/451005881.db2.gz MUVFCKARFJBOHE-YSIASYRMSA-N 1 3 344.503 1.800 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)C[NH2+]1 ZINC000626932318 451014572 /nfs/dbraw/zinc/01/45/72/451014572.db2.gz VKTWDRNXPCTBMC-GDBMZVCRSA-N 1 3 334.464 1.567 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccccc1 ZINC000635526555 451023228 /nfs/dbraw/zinc/02/32/28/451023228.db2.gz BODMGAIEQPFHAY-BZSNNMDCSA-N 1 3 332.492 1.976 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCc2ccccc2OCCN(C)C)C[NH2+]1 ZINC000626956409 451033243 /nfs/dbraw/zinc/03/32/43/451033243.db2.gz NIYWGKUKJKYPIE-HOCLYGCPSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020659 451085685 /nfs/dbraw/zinc/08/56/85/451085685.db2.gz KGRAAFIRGSYFCV-NXHRZFHOSA-N 1 3 338.496 1.128 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219754 451193684 /nfs/dbraw/zinc/19/36/84/451193684.db2.gz IGWMTOPKRJRFQI-KRWDZBQOSA-N 1 3 348.491 1.515 20 0 EDADHO C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331324 451202757 /nfs/dbraw/zinc/20/27/57/451202757.db2.gz KDUVDJWALUIFAN-HOTGVXAUSA-N 1 3 329.510 1.361 20 0 EDADHO CC[NH2+][C@H](C)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000638125814 451296010 /nfs/dbraw/zinc/29/60/10/451296010.db2.gz ZLAUTCFOVXRRCT-CQSZACIVSA-N 1 3 337.439 1.783 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638201040 451352396 /nfs/dbraw/zinc/35/23/96/451352396.db2.gz AGDXVURHQCDNBB-OCCSQVGLSA-N 1 3 345.447 1.031 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630852078 451438368 /nfs/dbraw/zinc/43/83/68/451438368.db2.gz GWXBFPSMMLBNOM-SOLBZPMBSA-N 1 3 347.507 1.922 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630852078 451438373 /nfs/dbraw/zinc/43/83/73/451438373.db2.gz GWXBFPSMMLBNOM-SOLBZPMBSA-N 1 3 347.507 1.922 20 0 EDADHO Cn1cc(CCC[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000638366330 451463845 /nfs/dbraw/zinc/46/38/45/451463845.db2.gz HGYYZWSWEPVTIB-UHFFFAOYSA-N 1 3 341.503 1.890 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CCCOC)CC2)[C@]12CCCO2 ZINC000638483906 451537489 /nfs/dbraw/zinc/53/74/89/451537489.db2.gz PRZJASHLLFCJRJ-RCCFBDPRSA-N 1 3 326.481 1.804 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@@H]4C3)CC2)CC1 ZINC000634775382 451540766 /nfs/dbraw/zinc/54/07/66/451540766.db2.gz FRJFGGUFQIGQDS-CALCHBBNSA-N 1 3 335.492 1.288 20 0 EDADHO CO[C@@](C)(C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CC1 ZINC000638512952 451552970 /nfs/dbraw/zinc/55/29/70/451552970.db2.gz KDAHYQXGRUTCBG-IBGZPJMESA-N 1 3 333.476 1.883 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc(N)nc1N ZINC000638717123 451664002 /nfs/dbraw/zinc/66/40/02/451664002.db2.gz FTUZJONYIJVQAU-BBRMVZONSA-N 1 3 326.448 1.302 20 0 EDADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634979510 451635266 /nfs/dbraw/zinc/63/52/66/451635266.db2.gz GNXAMFTXRKJIIT-INIZCTEOSA-N 1 3 331.460 1.918 20 0 EDADHO N[C@H](CC1CCCCC1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784670 451690877 /nfs/dbraw/zinc/69/08/77/451690877.db2.gz IYURTZNIXOJWHS-QZTJIDSGSA-N 1 3 337.508 1.901 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000638725505 451666559 /nfs/dbraw/zinc/66/65/59/451666559.db2.gz BAFNVTLAJAUWKE-FUHWJXTLSA-N 1 3 335.492 1.480 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C(C)C)CC2)[C@]12CCCO2 ZINC000638739038 451671218 /nfs/dbraw/zinc/67/12/18/451671218.db2.gz PRZWPTBJNAQYAE-JFIYKMOQSA-N 1 3 326.481 1.538 20 0 EDADHO C[C@@H](NC(=O)NCCN1CC[C@@H](O)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000637137844 451738197 /nfs/dbraw/zinc/73/81/97/451738197.db2.gz USZUMLSAJPUQSC-OIISXLGYSA-N 1 3 334.464 1.044 20 0 EDADHO CN(Cc1ccccc1)C[C@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214288 451783835 /nfs/dbraw/zinc/78/38/35/451783835.db2.gz CAZVWCOCNUQOLP-HKUYNNGSSA-N 1 3 343.475 1.313 20 0 EDADHO CCC[C@@H](N)c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230744 451791322 /nfs/dbraw/zinc/79/13/22/451791322.db2.gz STQODXUCQSCKCN-SJLPKXTDSA-N 1 3 329.448 1.715 20 0 EDADHO CCC[C@@H](N)c1cn(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641230744 451791324 /nfs/dbraw/zinc/79/13/24/451791324.db2.gz STQODXUCQSCKCN-SJLPKXTDSA-N 1 3 329.448 1.715 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@H]1n1cccn1 ZINC000639212130 451792766 /nfs/dbraw/zinc/79/27/66/451792766.db2.gz BJHLJJFQGKNZJY-GVDBMIGSSA-N 1 3 336.480 1.427 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000641255305 451795203 /nfs/dbraw/zinc/79/52/03/451795203.db2.gz BLVMDJLOZXKQLO-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000637346744 451796681 /nfs/dbraw/zinc/79/66/81/451796681.db2.gz YLSBQUNSDFMGPJ-SFHVURJKSA-N 1 3 348.491 1.263 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCc2cnccn2)CC1 ZINC000639453948 451876156 /nfs/dbraw/zinc/87/61/56/451876156.db2.gz SXFXXHZDFVCALJ-UHFFFAOYSA-N 1 3 347.507 1.579 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)C1(N)Cc2ccccc2C1)Cc1ccccc1 ZINC000649278288 451949865 /nfs/dbraw/zinc/94/98/65/451949865.db2.gz YXWSTPXBNHIWTC-LJQANCHMSA-N 1 3 337.467 1.772 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000649287851 451960646 /nfs/dbraw/zinc/96/06/46/451960646.db2.gz CTHPCTUVFFGCJA-CQSZACIVSA-N 1 3 344.419 1.005 20 0 EDADHO CN(C)CCN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000649310850 451987912 /nfs/dbraw/zinc/98/79/12/451987912.db2.gz IAHKYXIQBAJJFI-OAHLLOKOSA-N 1 3 328.420 1.021 20 0 EDADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CCN(C)C2)c1 ZINC000649346617 452028085 /nfs/dbraw/zinc/02/80/85/452028085.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 1 3 346.519 1.958 20 0 EDADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CCN(C)C2)c1 ZINC000649346617 452028091 /nfs/dbraw/zinc/02/80/91/452028091.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 1 3 346.519 1.958 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350101 452033774 /nfs/dbraw/zinc/03/37/74/452033774.db2.gz FCCUYRIXBKPRHT-RBUKOAKNSA-N 1 3 344.503 1.425 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@@H]2C1 ZINC000645006968 452110093 /nfs/dbraw/zinc/11/00/93/452110093.db2.gz JIXAKBZZXGWJPK-GOEBONIOSA-N 1 3 346.479 1.708 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC[C@H]1CCOC1 ZINC000643464426 452234664 /nfs/dbraw/zinc/23/46/64/452234664.db2.gz WJHOSEYJXAFDHW-KVSKMBFKSA-N 1 3 332.444 1.885 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647507344 452244231 /nfs/dbraw/zinc/24/42/31/452244231.db2.gz OAZYRIOUWCXQSV-YLJYHZDGSA-N 1 3 346.519 1.767 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645284944 452262938 /nfs/dbraw/zinc/26/29/38/452262938.db2.gz FOLBPDZKRPVDPV-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645284944 452262946 /nfs/dbraw/zinc/26/29/46/452262946.db2.gz FOLBPDZKRPVDPV-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659444898 452293270 /nfs/dbraw/zinc/29/32/70/452293270.db2.gz CAIIQZGPJPDLJR-PGYGNJIDSA-N 1 3 342.487 1.950 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000659454797 452304675 /nfs/dbraw/zinc/30/46/75/452304675.db2.gz ONTRDVLDLSWADJ-AWEZNQCLSA-N 1 3 328.526 1.645 20 0 EDADHO CCN1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638045921 452311484 /nfs/dbraw/zinc/31/14/84/452311484.db2.gz BRFPVDJRCZSLCX-UHFFFAOYSA-N 1 3 344.503 1.534 20 0 EDADHO c1nc2cnccn2c1CNCC1CC[NH+](C2CCOCC2)CC1 ZINC000657535537 452319597 /nfs/dbraw/zinc/31/95/97/452319597.db2.gz ORUPCXTYQBDHMB-UHFFFAOYSA-N 1 3 329.448 1.710 20 0 EDADHO CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761461 452336519 /nfs/dbraw/zinc/33/65/19/452336519.db2.gz FBLIROAHEVEMLX-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761461 452336524 /nfs/dbraw/zinc/33/65/24/452336524.db2.gz FBLIROAHEVEMLX-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481594 452342477 /nfs/dbraw/zinc/34/24/77/452342477.db2.gz JAGWKUPIRHWNTA-WAZRQNRBSA-N 1 3 328.460 1.640 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCN1C ZINC000652159099 452353760 /nfs/dbraw/zinc/35/37/60/452353760.db2.gz RMHXZPKUJKGYFL-DRRXZNNHSA-N 1 3 338.496 1.397 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CCNCC3)cc2)C1 ZINC000638062244 452354116 /nfs/dbraw/zinc/35/41/16/452354116.db2.gz DESRZRROUJGSPF-QGZVFWFLSA-N 1 3 344.503 1.440 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CN3CCNCC3)cc2)C1 ZINC000638062244 452354124 /nfs/dbraw/zinc/35/41/24/452354124.db2.gz DESRZRROUJGSPF-QGZVFWFLSA-N 1 3 344.503 1.440 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000649890140 452366360 /nfs/dbraw/zinc/36/63/60/452366360.db2.gz ZDVKXVNSVOQGEB-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179622 452373136 /nfs/dbraw/zinc/37/31/36/452373136.db2.gz SSXFWWFSBGYWQW-NVXWUHKLSA-N 1 3 330.476 1.935 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179621 452373367 /nfs/dbraw/zinc/37/33/67/452373367.db2.gz SSXFWWFSBGYWQW-DOTOQJQBSA-N 1 3 330.476 1.935 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638071242 452378763 /nfs/dbraw/zinc/37/87/63/452378763.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 1 3 330.476 1.189 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638071242 452378772 /nfs/dbraw/zinc/37/87/72/452378772.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 1 3 330.476 1.189 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H](N)c2ccccc2)CCO1 ZINC000659520453 452383040 /nfs/dbraw/zinc/38/30/40/452383040.db2.gz QIDGVVMCUQEAEW-IRXDYDNUSA-N 1 3 334.464 1.439 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654367449 452417887 /nfs/dbraw/zinc/41/78/87/452417887.db2.gz BKNJMFUOLLAUJT-CALCHBBNSA-N 1 3 348.491 1.766 20 0 EDADHO CN1CC=C(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659584786 452440763 /nfs/dbraw/zinc/44/07/63/452440763.db2.gz METQSZDWVRJSQY-QZTJIDSGSA-N 1 3 346.450 1.832 20 0 EDADHO CN1CCC(N(Cc2ccco2)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659619764 452476157 /nfs/dbraw/zinc/47/61/57/452476157.db2.gz AKGGMFLMKZDBHQ-UHFFFAOYSA-N 1 3 332.448 1.637 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654437012 452494971 /nfs/dbraw/zinc/49/49/71/452494971.db2.gz AXCUVIYOCSEFOC-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654437012 452494982 /nfs/dbraw/zinc/49/49/82/452494982.db2.gz AXCUVIYOCSEFOC-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCOCC1 ZINC000654443834 452506596 /nfs/dbraw/zinc/50/65/96/452506596.db2.gz BKKGDUZEMRKJOC-HZPDHXFCSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000663784163 452513844 /nfs/dbraw/zinc/51/38/44/452513844.db2.gz PWTLFXZJCJPTEG-VGWMRTNUSA-N 1 3 340.512 1.059 20 0 EDADHO CC(C)CN(C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347493 452522331 /nfs/dbraw/zinc/52/23/31/452522331.db2.gz CFEOSCFVMREFLM-BQFCYCMXSA-N 1 3 337.508 1.852 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000659680750 452553046 /nfs/dbraw/zinc/55/30/46/452553046.db2.gz KAEFUOYBOVVOPZ-OAHLLOKOSA-N 1 3 346.475 1.013 20 0 EDADHO CN(CCN1CCCCC1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000650165237 452566329 /nfs/dbraw/zinc/56/63/29/452566329.db2.gz SMAQNHDWBPOTML-UHFFFAOYSA-N 1 3 348.495 1.521 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000647882919 452620594 /nfs/dbraw/zinc/62/05/94/452620594.db2.gz OJFLPELTMLXEHS-PMACEKPBSA-N 1 3 326.440 1.724 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000647882919 452620605 /nfs/dbraw/zinc/62/06/05/452620605.db2.gz OJFLPELTMLXEHS-PMACEKPBSA-N 1 3 326.440 1.724 20 0 EDADHO CN1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC000655891323 452646615 /nfs/dbraw/zinc/64/66/15/452646615.db2.gz DBEKTIAWHOMTRI-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000666183566 452666824 /nfs/dbraw/zinc/66/68/24/452666824.db2.gz KMJUIEFWPYWJIP-MRXNPFEDSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000666183566 452666830 /nfs/dbraw/zinc/66/68/30/452666830.db2.gz KMJUIEFWPYWJIP-MRXNPFEDSA-N 1 3 348.495 1.688 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655958843 452739816 /nfs/dbraw/zinc/73/98/16/452739816.db2.gz OTQVQOCSAZZUQJ-IAGOWNOFSA-N 1 3 342.443 1.361 20 0 EDADHO COCC1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966604 452747898 /nfs/dbraw/zinc/74/78/98/452747898.db2.gz BKGVGVNUYXAZCJ-HZPDHXFCSA-N 1 3 338.496 1.319 20 0 EDADHO CN(C[C@@H]1CNc2ccnn2C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000648035218 452770988 /nfs/dbraw/zinc/77/09/88/452770988.db2.gz WYXWCFKBBIWBCT-RDJZCZTQSA-N 1 3 332.496 1.025 20 0 EDADHO CN(C[C@@H]1CNc2ccnn2C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648035218 452770997 /nfs/dbraw/zinc/77/09/97/452770997.db2.gz WYXWCFKBBIWBCT-RDJZCZTQSA-N 1 3 332.496 1.025 20 0 EDADHO CCN(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCN(C)C1 ZINC000664174793 452843560 /nfs/dbraw/zinc/84/35/60/452843560.db2.gz VMGSGPBDMNAQCQ-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000648160074 452869780 /nfs/dbraw/zinc/86/97/80/452869780.db2.gz WJDOOIRCNXJDNF-BZSNNMDCSA-N 1 3 330.476 1.737 20 0 EDADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201751 452956381 /nfs/dbraw/zinc/95/63/81/452956381.db2.gz YHYCEFGZVWSDPC-LVZMMCSGSA-N 1 3 325.497 1.231 20 0 EDADHO Cn1ccnc1[C@H]1OCCC[C@@H]1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656256596 452992948 /nfs/dbraw/zinc/99/29/48/452992948.db2.gz WLEHIBYWDRLNHD-BZSNNMDCSA-N 1 3 348.491 1.873 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C1 ZINC000646003177 452998733 /nfs/dbraw/zinc/99/87/33/452998733.db2.gz VNXWVSXGEQJFPR-GOSISDBHSA-N 1 3 328.460 1.142 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C1 ZINC000646003177 452998746 /nfs/dbraw/zinc/99/87/46/452998746.db2.gz VNXWVSXGEQJFPR-GOSISDBHSA-N 1 3 328.460 1.142 20 0 EDADHO CNS(=O)(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000662274149 453001818 /nfs/dbraw/zinc/00/18/18/453001818.db2.gz FLVFFYRKQGPNHD-HZPDHXFCSA-N 1 3 337.489 1.416 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@H]4CNCCO4)CC[C@H]32)cc1 ZINC000662278791 453003817 /nfs/dbraw/zinc/00/38/17/453003817.db2.gz ARLSQPCDLVVSGG-VAMGGRTRSA-N 1 3 329.488 1.961 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4CNCCO4)CC[C@H]32)cc1 ZINC000662278791 453003826 /nfs/dbraw/zinc/00/38/26/453003826.db2.gz ARLSQPCDLVVSGG-VAMGGRTRSA-N 1 3 329.488 1.961 20 0 EDADHO c1ccc(-n2nnnc2CCN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291741 453014944 /nfs/dbraw/zinc/01/49/44/453014944.db2.gz JOXGGBFIKONXQD-KRWDZBQOSA-N 1 3 340.475 1.916 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666670102 453055084 /nfs/dbraw/zinc/05/50/84/453055084.db2.gz INCOICMGVLHKJX-ZDUSSCGKSA-N 1 3 339.488 1.427 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ncn(C(C)(C)C)n1 ZINC000666670102 453055089 /nfs/dbraw/zinc/05/50/89/453055089.db2.gz INCOICMGVLHKJX-ZDUSSCGKSA-N 1 3 339.488 1.427 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000662390536 453100889 /nfs/dbraw/zinc/10/08/89/453100889.db2.gz LPDUVJATGZSEKB-LJQANCHMSA-N 1 3 346.519 1.699 20 0 EDADHO CC[NH+]1CCN(c2cccc(NC(=O)N(C)CC3CN(C)C3)c2)CC1 ZINC000666736659 453106898 /nfs/dbraw/zinc/10/68/98/453106898.db2.gz QUDMVJIAYIVCDK-UHFFFAOYSA-N 1 3 345.491 1.854 20 0 EDADHO COC1CCN(CCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000646180948 453192396 /nfs/dbraw/zinc/19/23/96/453192396.db2.gz MCZXWQCDLPFIHZ-UHFFFAOYSA-N 1 3 334.464 1.253 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000662528650 453250160 /nfs/dbraw/zinc/25/01/60/453250160.db2.gz CQOOBQLTBNQYJT-QGZVFWFLSA-N 1 3 346.475 1.126 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000664639212 453275519 /nfs/dbraw/zinc/27/55/19/453275519.db2.gz DLOKALLFTOSWJE-GVDBMIGSSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCO[C@H](C)C1 ZINC000664639212 453275527 /nfs/dbraw/zinc/27/55/27/453275527.db2.gz DLOKALLFTOSWJE-GVDBMIGSSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000664639213 453276426 /nfs/dbraw/zinc/27/64/26/453276426.db2.gz DLOKALLFTOSWJE-ULQDDVLXSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCO[C@@H](C)C1 ZINC000664639213 453276432 /nfs/dbraw/zinc/27/64/32/453276432.db2.gz DLOKALLFTOSWJE-ULQDDVLXSA-N 1 3 342.528 1.763 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666973081 453287660 /nfs/dbraw/zinc/28/76/60/453287660.db2.gz OODJBXMJBMGJOI-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666973081 453287669 /nfs/dbraw/zinc/28/76/69/453287669.db2.gz OODJBXMJBMGJOI-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(Nc1cccc(CN2CCCCC2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110270 453295302 /nfs/dbraw/zinc/29/53/02/453295302.db2.gz BGHLWSHEKRBHPA-LPHOPBHVSA-N 1 3 329.444 1.847 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1Cc1ccccc1 ZINC000653117729 453307278 /nfs/dbraw/zinc/30/72/78/453307278.db2.gz UQMPAOINISKQSC-CAIZAGQASA-N 1 3 343.471 1.392 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000662658404 453370652 /nfs/dbraw/zinc/37/06/52/453370652.db2.gz FEHMEAJXMCMBHJ-QWFCFKBJSA-N 1 3 327.472 1.761 20 0 EDADHO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CO2 ZINC000651228297 453378812 /nfs/dbraw/zinc/37/88/12/453378812.db2.gz OFTMFYLRQPKVFR-IAGOWNOFSA-N 1 3 345.487 1.757 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662695340 453416373 /nfs/dbraw/zinc/41/63/73/453416373.db2.gz ZEWNZIOUOGHHNU-DOTOQJQBSA-N 1 3 333.480 1.658 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667119513 453416766 /nfs/dbraw/zinc/41/67/66/453416766.db2.gz SHMMQNZSVFTZJM-OAHLLOKOSA-N 1 3 332.448 1.320 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)C1(NC2CC2)CCC1 ZINC000662703945 453426568 /nfs/dbraw/zinc/42/65/68/453426568.db2.gz WZSREJUEAMEFNY-UHFFFAOYSA-N 1 3 331.460 1.918 20 0 EDADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccnn1CCN(C)C ZINC000667151394 453440624 /nfs/dbraw/zinc/44/06/24/453440624.db2.gz JKXPYDWXBXVODR-HNNXBMFYSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662717923 453442217 /nfs/dbraw/zinc/44/22/17/453442217.db2.gz DVABZGUNBBZGMD-BGTYHANMSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000664882979 453462817 /nfs/dbraw/zinc/46/28/17/453462817.db2.gz VMZBYCAFPFMUQD-JYJNAYRXSA-N 1 3 328.501 1.230 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000664882979 453462825 /nfs/dbraw/zinc/46/28/25/453462825.db2.gz VMZBYCAFPFMUQD-JYJNAYRXSA-N 1 3 328.501 1.230 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662743745 453470568 /nfs/dbraw/zinc/47/05/68/453470568.db2.gz UDTOHSZHORNBHX-JYJNAYRXSA-N 1 3 348.495 1.538 20 0 EDADHO Cc1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)n(C2CCN(C)CC2)n1 ZINC000655449422 453536589 /nfs/dbraw/zinc/53/65/89/453536589.db2.gz WWFCSVBQEPTPOC-CRAIPNDOSA-N 1 3 331.464 1.786 20 0 EDADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664118 453549175 /nfs/dbraw/zinc/54/91/75/453549175.db2.gz YHYDMOXZUQLCDO-JQHSSLGASA-N 1 3 330.476 1.798 20 0 EDADHO Cc1c(CN)c(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)nn1C ZINC000662835931 453562647 /nfs/dbraw/zinc/56/26/47/453562647.db2.gz QGAWIWGDEORTRX-AWEZNQCLSA-N 1 3 327.432 1.818 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857592 453574344 /nfs/dbraw/zinc/57/43/44/453574344.db2.gz BLOJKULRGVREIH-GOSISDBHSA-N 1 3 331.460 1.259 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000659022649 453585348 /nfs/dbraw/zinc/58/53/48/453585348.db2.gz NZHHKCCUZSQZDK-QGZVFWFLSA-N 1 3 332.448 1.781 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000662923258 453606907 /nfs/dbraw/zinc/60/69/07/453606907.db2.gz SJHITGIJINQJQA-UHFFFAOYSA-N 1 3 342.487 1.699 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000665211383 453609287 /nfs/dbraw/zinc/60/92/87/453609287.db2.gz VFGAJBJERQOJAG-HRCADAONSA-N 1 3 342.528 1.904 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000665211383 453609292 /nfs/dbraw/zinc/60/92/92/453609292.db2.gz VFGAJBJERQOJAG-HRCADAONSA-N 1 3 342.528 1.904 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240924 453620703 /nfs/dbraw/zinc/62/07/03/453620703.db2.gz VZHTUVJRTFFQEU-VQIMIIECSA-N 1 3 332.492 1.650 20 0 EDADHO C[C@@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660870812 453625728 /nfs/dbraw/zinc/62/57/28/453625728.db2.gz HQUFLDCXOVDRAU-GDBMZVCRSA-N 1 3 340.512 1.515 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CCO1 ZINC000662971679 453631108 /nfs/dbraw/zinc/63/11/08/453631108.db2.gz CZQUPOCUKJTVLQ-FUHWJXTLSA-N 1 3 331.460 1.790 20 0 EDADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000663000562 453642742 /nfs/dbraw/zinc/64/27/42/453642742.db2.gz JNCHAWBRKGFQMK-INIZCTEOSA-N 1 3 327.472 1.721 20 0 EDADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000663000562 453642747 /nfs/dbraw/zinc/64/27/47/453642747.db2.gz JNCHAWBRKGFQMK-INIZCTEOSA-N 1 3 327.472 1.721 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556556 453748796 /nfs/dbraw/zinc/74/87/96/453748796.db2.gz ZKTXNMDGAYSTOE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556556 453748800 /nfs/dbraw/zinc/74/88/00/453748800.db2.gz ZKTXNMDGAYSTOE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665636657 453777593 /nfs/dbraw/zinc/77/75/93/453777593.db2.gz FMFVFJLPZZKDOA-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665636657 453777594 /nfs/dbraw/zinc/77/75/94/453777594.db2.gz FMFVFJLPZZKDOA-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CCN1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663454850 453803054 /nfs/dbraw/zinc/80/30/54/453803054.db2.gz VRWRYEOBIYEPBY-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@H+](CCCNCc2ccccc2-n2cncn2)CCCO1 ZINC000683343867 486693055 /nfs/dbraw/zinc/69/30/55/486693055.db2.gz AHEFDANQURPJOY-MRXNPFEDSA-N 1 3 329.448 1.858 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNCc2ccccc2-n2cncn2)CCCO1 ZINC000683343867 486693060 /nfs/dbraw/zinc/69/30/60/486693060.db2.gz AHEFDANQURPJOY-MRXNPFEDSA-N 1 3 329.448 1.858 20 0 EDADHO C[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375564 486699739 /nfs/dbraw/zinc/69/97/39/486699739.db2.gz DRWUXPOPXCEGEJ-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000672753963 486791180 /nfs/dbraw/zinc/79/11/80/486791180.db2.gz DBFKUSJTFCGKGS-NVXWUHKLSA-N 1 3 334.464 1.691 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000672753963 486791184 /nfs/dbraw/zinc/79/11/84/486791184.db2.gz DBFKUSJTFCGKGS-NVXWUHKLSA-N 1 3 334.464 1.691 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979703 487175907 /nfs/dbraw/zinc/17/59/07/487175907.db2.gz IXXFCEMCDMCVJT-ZBFHGGJFSA-N 1 3 326.510 1.207 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCSC1 ZINC000673979703 487175910 /nfs/dbraw/zinc/17/59/10/487175910.db2.gz IXXFCEMCDMCVJT-ZBFHGGJFSA-N 1 3 326.510 1.207 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN(CCOC)CC1 ZINC000675183355 487385799 /nfs/dbraw/zinc/38/57/99/487385799.db2.gz ZNPAZRCVSYSHJR-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682703079 487407561 /nfs/dbraw/zinc/40/75/61/487407561.db2.gz FNFCGLBXVPWDHN-SFHVURJKSA-N 1 3 337.895 1.991 20 0 EDADHO CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000682836209 487420029 /nfs/dbraw/zinc/42/00/29/487420029.db2.gz QLFLCISIFQPLOS-INIZCTEOSA-N 1 3 339.505 1.901 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556100 485558944 /nfs/dbraw/zinc/55/89/44/485558944.db2.gz HBTVYHMAPXEGOA-ROUUACIJSA-N 1 3 346.475 1.195 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000669584182 485633639 /nfs/dbraw/zinc/63/36/39/485633639.db2.gz YWAXCAZZPVHRRO-AYDFFVQHSA-N 1 3 338.452 1.466 20 0 EDADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000669610181 485717875 /nfs/dbraw/zinc/71/78/75/485717875.db2.gz SGIOBAVYQPREPH-INIZCTEOSA-N 1 3 339.528 1.184 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179253 485888463 /nfs/dbraw/zinc/88/84/63/485888463.db2.gz PQMBRYPFYDVKOX-QZTJIDSGSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CC3([NH3+])CCC3)ccc2oc1=O ZINC000236989829 485948685 /nfs/dbraw/zinc/94/86/85/485948685.db2.gz JHEXWCJBYSBPEH-UHFFFAOYSA-N 1 3 332.404 1.366 20 0 EDADHO CC(C)N1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000344684720 485948947 /nfs/dbraw/zinc/94/89/47/485948947.db2.gz IBDDRJKGELFIRG-MSOLQXFVSA-N 1 3 337.508 1.676 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000669420212 486139367 /nfs/dbraw/zinc/13/93/67/486139367.db2.gz DVXPNBTUPHPXDX-WMZOPIPTSA-N 1 3 330.476 1.935 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000670503669 486598902 /nfs/dbraw/zinc/59/89/02/486598902.db2.gz PNUONLZHYDYBIJ-MRXNPFEDSA-N 1 3 340.512 1.212 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073225587 491007775 /nfs/dbraw/zinc/00/77/75/491007775.db2.gz VVJYMTYHJQYOOB-IRXDYDNUSA-N 1 3 336.524 1.345 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cn1 ZINC000638419889 491020755 /nfs/dbraw/zinc/02/07/55/491020755.db2.gz STXBHZIHDVSYIB-QGZVFWFLSA-N 1 3 343.431 1.358 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286296 534448425 /nfs/dbraw/zinc/44/84/25/534448425.db2.gz ZSUQGHCUYOFRKC-HOSILWTGSA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286296 534448430 /nfs/dbraw/zinc/44/84/30/534448430.db2.gz ZSUQGHCUYOFRKC-HOSILWTGSA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2[nH]nc3c2CNCC3)C1 ZINC000188724124 525208256 /nfs/dbraw/zinc/20/82/56/525208256.db2.gz MGKJQAXNNPHHDI-ZIAGYGMSSA-N 1 3 333.480 1.543 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178789683 529045353 /nfs/dbraw/zinc/04/53/53/529045353.db2.gz BBIMDPDZOBJJSP-KRWDZBQOSA-N 1 3 330.476 1.699 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000263793148 536547222 /nfs/dbraw/zinc/54/72/22/536547222.db2.gz RIJLXPHGHDCQED-UHFFFAOYSA-N 1 3 333.476 1.979 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)C2CCOCC2)cc1 ZINC000261617103 535606677 /nfs/dbraw/zinc/60/66/77/535606677.db2.gz BWELKBNUKHSQQX-SFHVURJKSA-N 1 3 333.476 1.899 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000262662116 535715240 /nfs/dbraw/zinc/71/52/40/535715240.db2.gz OAPOXHYUNDJAON-AEFFLSMTSA-N 1 3 332.492 1.385 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000342731993 535745045 /nfs/dbraw/zinc/74/50/45/535745045.db2.gz ZHTLSTYRARESFN-FQEVSTJZSA-N 1 3 344.503 1.948 20 0 EDADHO CN(C)Cc1cnc(CNC(C)(C)CC[NH+]2CCN(C)CC2)s1 ZINC000352740770 536057824 /nfs/dbraw/zinc/05/78/24/536057824.db2.gz AAHDQWVFLRJXMJ-UHFFFAOYSA-N 1 3 339.553 1.710 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C4CC4)n[nH]3)CC2)CC1 ZINC000195204672 536339748 /nfs/dbraw/zinc/33/97/48/536339748.db2.gz ZKPZGFOJZSTBQG-UHFFFAOYSA-N 1 3 331.464 1.576 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353098968 536365932 /nfs/dbraw/zinc/36/59/32/536365932.db2.gz SXLHCUQZIKNFSQ-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CN(CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000262740951 536384857 /nfs/dbraw/zinc/38/48/57/536384857.db2.gz JHVNJPKWRKITCI-KRWDZBQOSA-N 1 3 341.459 1.669 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@H](N)CC(F)F)CCCC2)CC1 ZINC000345800575 536754428 /nfs/dbraw/zinc/75/44/28/536754428.db2.gz MMIJHPXCTBOROG-CYBMUJFWSA-N 1 3 333.423 1.509 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618158 578584781 /nfs/dbraw/zinc/58/47/81/578584781.db2.gz HKISIHGUYPRNNN-BRWVUGGUSA-N 1 3 336.480 1.119 20 0 EDADHO CCN(C)c1ccccc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000741087092 578645359 /nfs/dbraw/zinc/64/53/59/578645359.db2.gz SGBROWBRRIYFBB-UHFFFAOYSA-N 1 3 349.523 1.778 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=S)NCCN(C)C)[C@H](C)C1 ZINC000734386759 578812704 /nfs/dbraw/zinc/81/27/04/578812704.db2.gz VEQGRKNYQMZBOK-CABCVRRESA-N 1 3 330.542 1.149 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=S)NCCN(C)C)[C@H](C)C1 ZINC000734386759 578812705 /nfs/dbraw/zinc/81/27/05/578812705.db2.gz VEQGRKNYQMZBOK-CABCVRRESA-N 1 3 330.542 1.149 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736149045 578957735 /nfs/dbraw/zinc/95/77/35/578957735.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736149045 578957736 /nfs/dbraw/zinc/95/77/36/578957736.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736149045 578957737 /nfs/dbraw/zinc/95/77/37/578957737.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736149045 578957738 /nfs/dbraw/zinc/95/77/38/578957738.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000747553943 579648716 /nfs/dbraw/zinc/64/87/16/579648716.db2.gz AVZUYFPLDJGJGG-LSDHHAIUSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@H](CNC(=O)Nc1cnn(CCN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000747553943 579648717 /nfs/dbraw/zinc/64/87/17/579648717.db2.gz AVZUYFPLDJGJGG-LSDHHAIUSA-N 1 3 336.484 1.829 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000756041671 579942408 /nfs/dbraw/zinc/94/24/08/579942408.db2.gz NMMYCLNTDSLYLK-UHFFFAOYSA-N 1 3 340.489 1.541 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCCCCC1 ZINC000774574073 580366137 /nfs/dbraw/zinc/36/61/37/580366137.db2.gz MFGPPXVHRBBTIH-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO Cn1nc(Br)cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000785483019 580645475 /nfs/dbraw/zinc/64/54/75/580645475.db2.gz PZNKRPIAMASYCK-UHFFFAOYSA-N 1 3 344.301 1.298 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328797 580842269 /nfs/dbraw/zinc/84/22/69/580842269.db2.gz FRAVYHINGGJGSJ-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328797 580842270 /nfs/dbraw/zinc/84/22/70/580842270.db2.gz FRAVYHINGGJGSJ-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CN(C)Cc1cnc(CNCCCC[NH+]2CCN(C)CC2)s1 ZINC000796264417 580949476 /nfs/dbraw/zinc/94/94/76/580949476.db2.gz VZZFQACAXPDHMV-UHFFFAOYSA-N 1 3 325.526 1.322 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854045 590656589 /nfs/dbraw/zinc/65/65/89/590656589.db2.gz ABHSZTXBTJYNBZ-NXOAAHMSSA-N 1 3 338.496 1.317 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855284 590656712 /nfs/dbraw/zinc/65/67/12/590656712.db2.gz IHQCOJAVIIWOJK-INIZCTEOSA-N 1 3 328.501 1.648 20 0 EDADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000892020427 590753199 /nfs/dbraw/zinc/75/31/99/590753199.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 1 3 342.487 1.997 20 0 EDADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000892020427 590753200 /nfs/dbraw/zinc/75/32/00/590753200.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 1 3 342.487 1.997 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000892067231 590782098 /nfs/dbraw/zinc/78/20/98/590782098.db2.gz RJVSJAOMMSHHMD-GOSISDBHSA-N 1 3 328.460 1.788 20 0 EDADHO COCC1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000892114246 590806387 /nfs/dbraw/zinc/80/63/87/590806387.db2.gz VQJXFJMYDWZRJT-KRWDZBQOSA-N 1 3 346.475 1.016 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892187274 590855138 /nfs/dbraw/zinc/85/51/38/590855138.db2.gz KGJMOPVDCIRUFX-TVFCKZIOSA-N 1 3 328.460 1.388 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1c1ccncc1 ZINC000892267128 590900010 /nfs/dbraw/zinc/90/00/10/590900010.db2.gz RVDCBXGNPNMEBU-ZBFHGGJFSA-N 1 3 329.448 1.444 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892274530 590905873 /nfs/dbraw/zinc/90/58/73/590905873.db2.gz ORFQRIUKUWDCSZ-GDBMZVCRSA-N 1 3 329.448 1.586 20 0 EDADHO CO[C@H]1CC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521890 591057666 /nfs/dbraw/zinc/05/76/66/591057666.db2.gz IPUHZEFZSXHKEU-IRXDYDNUSA-N 1 3 338.496 1.364 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892563302 591074072 /nfs/dbraw/zinc/07/40/72/591074072.db2.gz VABWSTQZRZAEMU-JNSHFYNHSA-N 1 3 340.418 1.775 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000891623145 591154509 /nfs/dbraw/zinc/15/45/09/591154509.db2.gz MFVCEHYCNQCEIN-IRXDYDNUSA-N 1 3 338.496 1.103 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891673340 591179928 /nfs/dbraw/zinc/17/99/28/591179928.db2.gz KNQJEZDJMOSDHA-UWWQBHOKSA-N 1 3 330.476 1.728 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000892789879 591180142 /nfs/dbraw/zinc/18/01/42/591180142.db2.gz UXSQAVBSNZAPTL-FHWLQOOXSA-N 1 3 342.487 1.732 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891798375 591227736 /nfs/dbraw/zinc/22/77/36/591227736.db2.gz MOUCVKNKGOSEDX-DZJNRPSUSA-N 1 3 328.460 1.653 20 0 EDADHO CN1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768495 591269130 /nfs/dbraw/zinc/26/91/30/591269130.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 1 3 326.448 1.862 20 0 EDADHO CN1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768495 591269131 /nfs/dbraw/zinc/26/91/31/591269131.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 1 3 326.448 1.862 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397239 /nfs/dbraw/zinc/39/72/39/591397239.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 1 3 334.508 1.987 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397244 /nfs/dbraw/zinc/39/72/44/591397244.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 1 3 334.508 1.987 20 0 EDADHO CCO[C@H](CNC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)CN(C)C ZINC000896683775 591573437 /nfs/dbraw/zinc/57/34/37/591573437.db2.gz WLDAFYBXLAAZNU-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC(C)(C)OC(=O)N1CC(O)(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895206459 591656430 /nfs/dbraw/zinc/65/64/30/591656430.db2.gz FELWMEFMVHOKLJ-UONOGXRCSA-N 1 3 325.453 1.185 20 0 EDADHO CC(C)(C)OC(=O)N1CC(O)(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000895206459 591656432 /nfs/dbraw/zinc/65/64/32/591656432.db2.gz FELWMEFMVHOKLJ-UONOGXRCSA-N 1 3 325.453 1.185 20 0 EDADHO C[C@H]1CC2(CC(NC(=O)N(CCN(C)C)CC[NH+](C)C)C2)CO1 ZINC000897818685 591682160 /nfs/dbraw/zinc/68/21/60/591682160.db2.gz LABXYSURJMMUJW-UQPPLGOBSA-N 1 3 326.485 1.079 20 0 EDADHO CS(=O)(=O)C1CC([NH2+]CC2CCN(C3CCOCC3)CC2)C1 ZINC000895308179 591707080 /nfs/dbraw/zinc/70/70/80/591707080.db2.gz GUZIJANQTOWBSZ-UHFFFAOYSA-N 1 3 330.494 1.043 20 0 EDADHO C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895328496 591714732 /nfs/dbraw/zinc/71/47/32/591714732.db2.gz GPWCRCKCPKBMFH-HKUYNNGSSA-N 1 3 334.460 1.479 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900214571 591945411 /nfs/dbraw/zinc/94/54/11/591945411.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@]1(O)CCCN(C)C1 ZINC000900214571 591945414 /nfs/dbraw/zinc/94/54/14/591945414.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900335580 591987502 /nfs/dbraw/zinc/98/75/02/591987502.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 1 3 345.487 1.785 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900335580 591987505 /nfs/dbraw/zinc/98/75/05/591987505.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 1 3 345.487 1.785 20 0 EDADHO C[C@@H]1CCC[C@](CNC(=O)C[C@]2(O)CCCN(C)C2)([NH+](C)C)C1 ZINC000900319928 591989618 /nfs/dbraw/zinc/98/96/18/591989618.db2.gz AVZQJBTVJCKIIX-BPQIPLTHSA-N 1 3 325.497 1.460 20 0 EDADHO COc1nc(C)cc(C)c1CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807732 592063892 /nfs/dbraw/zinc/06/38/92/592063892.db2.gz OSGJFIZWEINOLJ-DZGCQCFKSA-N 1 3 334.420 1.569 20 0 EDADHO COc1nc(C)cc(C)c1CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807732 592063894 /nfs/dbraw/zinc/06/38/94/592063894.db2.gz OSGJFIZWEINOLJ-DZGCQCFKSA-N 1 3 334.420 1.569 20 0 EDADHO C[C@@H]([NH2+]CCN1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000903229288 592144070 /nfs/dbraw/zinc/14/40/70/592144070.db2.gz XLADICIOJWHSPC-QGZVFWFLSA-N 1 3 335.492 2.000 20 0 EDADHO CCOC(=O)c1ccc(N2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC000903455147 592174313 /nfs/dbraw/zinc/17/43/13/592174313.db2.gz ROZYKFYUSDYUTI-ZBFHGGJFSA-N 1 3 332.448 1.508 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)C12CC[NH+](CC1)C2 ZINC000900958525 592185029 /nfs/dbraw/zinc/18/50/29/592185029.db2.gz POVYAXYQWIJGLR-UHFFFAOYSA-N 1 3 329.444 1.678 20 0 EDADHO C[C@@H]1CN(CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1CC[NH3+] ZINC000903496324 592187584 /nfs/dbraw/zinc/18/75/84/592187584.db2.gz KGXVWBJQDRFPSM-HUUCEWRRSA-N 1 3 344.459 1.669 20 0 EDADHO CC(=O)Nc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903524885 592197763 /nfs/dbraw/zinc/19/77/63/592197763.db2.gz DFPUKWFATHTWDF-MJGOQNOKSA-N 1 3 344.459 1.381 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N(C)C1CC1 ZINC000906649776 592233917 /nfs/dbraw/zinc/23/39/17/592233917.db2.gz GZQKJBPABGWTEX-LBPRGKRZSA-N 1 3 332.448 1.418 20 0 EDADHO [NH3+]CCN1CCC(N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000904366488 592242333 /nfs/dbraw/zinc/24/23/33/592242333.db2.gz LZKKDBYVRNAMBM-OAHLLOKOSA-N 1 3 336.867 1.458 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cnn1C ZINC000904432930 592256155 /nfs/dbraw/zinc/25/61/55/592256155.db2.gz JBYOMIKEBLOJLJ-AEFFLSMTSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](C3CCOCC3)C2)cnn1C ZINC000904432930 592256159 /nfs/dbraw/zinc/25/61/59/592256159.db2.gz JBYOMIKEBLOJLJ-AEFFLSMTSA-N 1 3 334.508 1.985 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](C3CCOCC3)C2)cnn1C ZINC000904432930 592256162 /nfs/dbraw/zinc/25/61/62/592256162.db2.gz JBYOMIKEBLOJLJ-AEFFLSMTSA-N 1 3 334.508 1.985 20 0 EDADHO O=C1C[C@H](c2ccccc2)N(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723325 592283861 /nfs/dbraw/zinc/28/38/61/592283861.db2.gz VGOJZQQKTTYQBA-SCTDSRPQSA-N 1 3 329.444 1.318 20 0 EDADHO O=C(NC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726537 592285264 /nfs/dbraw/zinc/28/52/64/592285264.db2.gz MQOQKVRWARSWIS-SJLPKXTDSA-N 1 3 349.500 1.711 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000904604325 592293471 /nfs/dbraw/zinc/29/34/71/592293471.db2.gz PSPYYFYCKBWVND-HNNXBMFYSA-N 1 3 334.464 1.847 20 0 EDADHO Cc1nc(C)n([C@@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903739397 592302232 /nfs/dbraw/zinc/30/22/32/592302232.db2.gz INRHNVVAQSCIFE-SJORKVTESA-N 1 3 333.480 1.691 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)ccn1 ZINC000901254210 592313148 /nfs/dbraw/zinc/31/31/48/592313148.db2.gz CFASIFRMFLWBPF-IRXDYDNUSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)ccn1 ZINC000901254210 592313151 /nfs/dbraw/zinc/31/31/51/592313151.db2.gz CFASIFRMFLWBPF-IRXDYDNUSA-N 1 3 346.475 1.655 20 0 EDADHO CC(C)(N)c1noc(CN2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903793351 592316133 /nfs/dbraw/zinc/31/61/33/592316133.db2.gz BCSMNRDOQBYRCC-UHFFFAOYSA-N 1 3 329.448 1.756 20 0 EDADHO COCCCNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794480 592316714 /nfs/dbraw/zinc/31/67/14/592316714.db2.gz WTMXZGBOGOTGTE-INIZCTEOSA-N 1 3 333.476 1.520 20 0 EDADHO NC(=O)c1cn[nH]c1[C@@H]1CCCCN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903779828 592320356 /nfs/dbraw/zinc/32/03/56/592320356.db2.gz BPWIWWBRRQIGGM-ZFWWWQNUSA-N 1 3 347.463 1.194 20 0 EDADHO [NH3+][C@H](C[C@H]1CCCN(CCN2CCCS2(=O)=O)C1)C1CCCC1 ZINC000903782281 592321542 /nfs/dbraw/zinc/32/15/42/592321542.db2.gz IZLQWFZIMRDMAG-NVXWUHKLSA-N 1 3 343.537 1.642 20 0 EDADHO CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903781934 592321628 /nfs/dbraw/zinc/32/16/28/592321628.db2.gz XRDUHQHHKZQZFA-LNLFQRSKSA-N 1 3 345.443 1.712 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891093 592352629 /nfs/dbraw/zinc/35/26/29/592352629.db2.gz JNZIGQRIRQPLAJ-MJGOQNOKSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908297 592373485 /nfs/dbraw/zinc/37/34/85/592373485.db2.gz GHJACAGJZXPSKP-MSOLQXFVSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908297 592373490 /nfs/dbraw/zinc/37/34/90/592373490.db2.gz GHJACAGJZXPSKP-MSOLQXFVSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908297 592373495 /nfs/dbraw/zinc/37/34/95/592373495.db2.gz GHJACAGJZXPSKP-MSOLQXFVSA-N 1 3 327.476 1.806 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNc2ccc([C@@H]3CNCCO3)cc2)cnn1C ZINC000903932697 592384696 /nfs/dbraw/zinc/38/46/96/592384696.db2.gz FLGMRXFAFAVOKS-BEFAXECRSA-N 1 3 343.475 1.619 20 0 EDADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)NC[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903967110 592402341 /nfs/dbraw/zinc/40/23/41/592402341.db2.gz HFVJRLCMIUHLNR-MCIONIFRSA-N 1 3 335.448 1.866 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCCC3)C2)CC1 ZINC000905112115 592412751 /nfs/dbraw/zinc/41/27/51/592412751.db2.gz YMECSOTYOLVPJV-SJLPKXTDSA-N 1 3 339.524 1.191 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906998805 592469687 /nfs/dbraw/zinc/46/96/87/592469687.db2.gz JBTQJYRKBDUKOP-UHFFFAOYSA-N 1 3 325.497 1.602 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000904299661 592471607 /nfs/dbraw/zinc/47/16/07/592471607.db2.gz LIFYPFJLQBKELG-HNNXBMFYSA-N 1 3 333.432 1.069 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000905342085 592511971 /nfs/dbraw/zinc/51/19/71/592511971.db2.gz FEPFCCWIWBGJRN-WBVHZDCISA-N 1 3 341.521 1.265 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905365619 592516320 /nfs/dbraw/zinc/51/63/20/592516320.db2.gz CDHSYTPRRGOIRW-ZWKOTPCHSA-N 1 3 334.460 1.009 20 0 EDADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)C1(O)CCC1 ZINC000905365619 592516323 /nfs/dbraw/zinc/51/63/23/592516323.db2.gz CDHSYTPRRGOIRW-ZWKOTPCHSA-N 1 3 334.460 1.009 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911666409 592973924 /nfs/dbraw/zinc/97/39/24/592973924.db2.gz YEZOFPYHDGYWRD-GARXJVFOSA-N 1 3 331.460 1.980 20 0 EDADHO [NH3+]C[C@H](C(=O)Nc1ccc(N2CCNCC2)cn1)C1CCCCCC1 ZINC000911736670 592993338 /nfs/dbraw/zinc/99/33/38/592993338.db2.gz XSLDJHCZBNNPRT-KRWDZBQOSA-N 1 3 345.491 1.975 20 0 EDADHO O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@]12C[C@H]1CCCN2 ZINC000911743904 592994905 /nfs/dbraw/zinc/99/49/05/592994905.db2.gz DLHITGBWEIYYKV-OGWOLHLISA-N 1 3 343.427 1.676 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911765384 593000234 /nfs/dbraw/zinc/00/02/34/593000234.db2.gz TYTYELHHGXUUQM-AOIWGVFYSA-N 1 3 331.460 1.552 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)N1CCN(C)CC1 ZINC000911891805 593031802 /nfs/dbraw/zinc/03/18/02/593031802.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C)N1CCN(C)CC1 ZINC000911891805 593031804 /nfs/dbraw/zinc/03/18/04/593031804.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO CC[C@H](C)CONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000813613031 593543511 /nfs/dbraw/zinc/54/35/11/593543511.db2.gz ABSMTSFRAHZGRV-AWEZNQCLSA-N 1 3 326.485 1.822 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927821 593649590 /nfs/dbraw/zinc/64/95/90/593649590.db2.gz NHHVSQOSGZCYJK-NLWGTHIKSA-N 1 3 345.487 1.782 20 0 EDADHO CC(C)(C)OC(=O)N1CCC([C@H](O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167759 593676844 /nfs/dbraw/zinc/67/68/44/593676844.db2.gz VGIABAKQPZRPBW-HRCADAONSA-N 1 3 339.480 1.146 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819389173 593753183 /nfs/dbraw/zinc/75/31/83/593753183.db2.gz KBQBUICJYKNPNT-KRWDZBQOSA-N 1 3 325.884 1.989 20 0 EDADHO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824590307 594043683 /nfs/dbraw/zinc/04/36/83/594043683.db2.gz BGEFZWISKXLXHX-CQSZACIVSA-N 1 3 343.479 1.543 20 0 EDADHO CC(C)(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]([NH3+])c1ccccc1 ZINC000827936847 594306808 /nfs/dbraw/zinc/30/68/08/594306808.db2.gz WVBQVAHRDOWAPU-BBWFWOEESA-N 1 3 331.460 1.692 20 0 EDADHO [NH3+]CCCCCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000830678589 594455129 /nfs/dbraw/zinc/45/51/29/594455129.db2.gz MPHAHLAZESEESU-UHFFFAOYSA-N 1 3 333.476 1.779 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccn(CCN(C)C)n1 ZINC000829598772 594647613 /nfs/dbraw/zinc/64/76/13/594647613.db2.gz FJEWBKMQPDCPEK-UHFFFAOYSA-N 1 3 349.523 1.885 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@]1(F)CC[NH2+]C1 ZINC000832054565 594722500 /nfs/dbraw/zinc/72/25/00/594722500.db2.gz ORPZKNOMKJBFHN-WMZOPIPTSA-N 1 3 335.423 1.095 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000841004569 594837614 /nfs/dbraw/zinc/83/76/14/594837614.db2.gz LRBMPFHDAIIXSY-OXJNMPFZSA-N 1 3 345.487 1.629 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018104 594840030 /nfs/dbraw/zinc/84/00/30/594840030.db2.gz PGAHEHVPPLBONC-INIZCTEOSA-N 1 3 345.491 1.950 20 0 EDADHO CN(CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000843354954 595085121 /nfs/dbraw/zinc/08/51/21/595085121.db2.gz GOXAWGNQUPPQOV-UHFFFAOYSA-N 1 3 341.459 1.690 20 0 EDADHO CN(CCOc1ccccc1F)C(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843354706 595085535 /nfs/dbraw/zinc/08/55/35/595085535.db2.gz DFWBCEMBXDGYMZ-UHFFFAOYSA-N 1 3 337.439 1.865 20 0 EDADHO CN(CC(=O)NCCCOc1ccccc1F)C1CCC([NH3+])CC1 ZINC000843355437 595085807 /nfs/dbraw/zinc/08/58/07/595085807.db2.gz OOWVJTQKYGYMRQ-UHFFFAOYSA-N 1 3 337.439 1.913 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000842671783 595166640 /nfs/dbraw/zinc/16/66/40/595166640.db2.gz VBSDYJYQXBIDLK-UHFFFAOYSA-N 1 3 328.464 1.385 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000844165363 595288532 /nfs/dbraw/zinc/28/85/32/595288532.db2.gz DFKPKSSNSBRPEC-QZTJIDSGSA-N 1 3 331.460 1.708 20 0 EDADHO CC[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000844172194 595290985 /nfs/dbraw/zinc/29/09/85/595290985.db2.gz QYAWQLCJJIGJQF-RTBURBONSA-N 1 3 345.487 1.708 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175143 595292294 /nfs/dbraw/zinc/29/22/94/595292294.db2.gz BEAGJSVOEBBUBK-KBAYOESNSA-N 1 3 331.460 1.707 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000844188816 595297430 /nfs/dbraw/zinc/29/74/30/595297430.db2.gz CZOJKJNSCSQBJY-HUUCEWRRSA-N 1 3 333.432 1.111 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC000848247095 595346513 /nfs/dbraw/zinc/34/65/13/595346513.db2.gz ZGZFXWSPHXWBCE-IYBDPMFKSA-N 1 3 341.446 1.906 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)OCCO3)CC2)CC1 ZINC000847601027 595455215 /nfs/dbraw/zinc/45/52/15/595455215.db2.gz HBRDKVQGXAVXJT-UHFFFAOYSA-N 1 3 339.480 1.062 20 0 EDADHO [NH2+]=C(NC[C@@]1(O)CCSC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849090871 595480353 /nfs/dbraw/zinc/48/03/53/595480353.db2.gz NTKNKAIYIZSOOX-SFHVURJKSA-N 1 3 348.516 1.633 20 0 EDADHO CCN(C)C(=O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849092433 595480393 /nfs/dbraw/zinc/48/03/93/595480393.db2.gz FTJCFMCQRAZAGS-UHFFFAOYSA-N 1 3 331.464 1.243 20 0 EDADHO CCOCCCNC(=[NH2+])NCC1(N2CCC(OC)CC2)CCCC1 ZINC000849101513 595481601 /nfs/dbraw/zinc/48/16/01/595481601.db2.gz GFEOURPEQHQTRW-UHFFFAOYSA-N 1 3 340.512 1.951 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554700 /nfs/dbraw/zinc/55/47/00/595554700.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 1 3 347.507 1.302 20 0 EDADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554703 /nfs/dbraw/zinc/55/47/03/595554703.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 1 3 347.507 1.302 20 0 EDADHO CC[NH+]1CCC(CNC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508984 595554776 /nfs/dbraw/zinc/55/47/76/595554776.db2.gz KMZLHKSVACKLFX-ZWKOTPCHSA-N 1 3 347.507 1.304 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)N(C)CCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849574750 595577985 /nfs/dbraw/zinc/57/79/85/595577985.db2.gz HWRBBLJBKQBIIP-QZTJIDSGSA-N 1 3 349.523 1.644 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586783 /nfs/dbraw/zinc/58/67/83/595586783.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586785 /nfs/dbraw/zinc/58/67/85/595586785.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590734 /nfs/dbraw/zinc/59/07/34/595590734.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 1 3 347.507 1.397 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590737 /nfs/dbraw/zinc/59/07/37/595590737.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 1 3 347.507 1.397 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873141 595591280 /nfs/dbraw/zinc/59/12/80/595591280.db2.gz WKMDYYKIQVHLFQ-SJORKVTESA-N 1 3 332.448 1.131 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613613 595596766 /nfs/dbraw/zinc/59/67/66/595596766.db2.gz UKTGIIIDEXRWFE-KURKYZTESA-N 1 3 347.507 1.444 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)COc1ccc2c(c1)CCC2 ZINC000855346326 595680226 /nfs/dbraw/zinc/68/02/26/595680226.db2.gz WYMGQVSVZFBUHU-INIZCTEOSA-N 1 3 347.503 1.942 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)COc1ccc2c(c1)CCC2 ZINC000855346326 595680228 /nfs/dbraw/zinc/68/02/28/595680228.db2.gz WYMGQVSVZFBUHU-INIZCTEOSA-N 1 3 347.503 1.942 20 0 EDADHO C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CCCCC1 ZINC000853465220 595758350 /nfs/dbraw/zinc/75/83/50/595758350.db2.gz CWPQVIFRGVHYHL-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCCCC1 ZINC000853466132 595759351 /nfs/dbraw/zinc/75/93/51/595759351.db2.gz SUIBTULIINXPJC-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000853683615 595854611 /nfs/dbraw/zinc/85/46/11/595854611.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000853683615 595854615 /nfs/dbraw/zinc/85/46/15/595854615.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000861555492 596028514 /nfs/dbraw/zinc/02/85/14/596028514.db2.gz OAONATIXOKHORE-FUHWJXTLSA-N 1 3 347.507 1.354 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000861702425 596073127 /nfs/dbraw/zinc/07/31/27/596073127.db2.gz NVKQWTTUUAJBMB-WDYCEAGBSA-N 1 3 346.475 1.015 20 0 EDADHO Cc1cc(C)c(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709212 596302778 /nfs/dbraw/zinc/30/27/78/596302778.db2.gz IZVKKTUXQICNBW-JQHSSLGASA-N 1 3 329.444 1.979 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC000866723541 596310243 /nfs/dbraw/zinc/31/02/43/596310243.db2.gz FJGHOUUVNIQIRQ-RCCFBDPRSA-N 1 3 330.476 1.232 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870868990 596384303 /nfs/dbraw/zinc/38/43/03/596384303.db2.gz XNOSSHCXTAYKBN-UHFFFAOYSA-N 1 3 331.460 1.775 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000871466961 596593137 /nfs/dbraw/zinc/59/31/37/596593137.db2.gz AZGVGSAHQBKTNG-JYJNAYRXSA-N 1 3 340.512 1.164 20 0 EDADHO C[C@@H](NCCOCCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863546222 596613743 /nfs/dbraw/zinc/61/37/43/596613743.db2.gz KBEFXHXHXQODEW-LLVKDONJSA-N 1 3 336.404 1.699 20 0 EDADHO O=C(/C=C\c1ccccc1)NCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000863556499 596617670 /nfs/dbraw/zinc/61/76/70/596617670.db2.gz FJGMBDJUXUKGNI-HJCTWCACSA-N 1 3 331.460 1.252 20 0 EDADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)CS(N)(=O)=O ZINC000865814365 596693973 /nfs/dbraw/zinc/69/39/73/596693973.db2.gz SGHPFAJINBAUNZ-UHFFFAOYSA-N 1 3 331.526 1.688 20 0 EDADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)CS(N)(=O)=O ZINC000865814365 596693975 /nfs/dbraw/zinc/69/39/75/596693975.db2.gz SGHPFAJINBAUNZ-UHFFFAOYSA-N 1 3 331.526 1.688 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc12 ZINC000870183075 596788820 /nfs/dbraw/zinc/78/88/20/596788820.db2.gz RHAYJYKTKSUDFY-KRWDZBQOSA-N 1 3 327.472 1.944 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc12 ZINC000870183075 596788823 /nfs/dbraw/zinc/78/88/23/596788823.db2.gz RHAYJYKTKSUDFY-KRWDZBQOSA-N 1 3 327.472 1.944 20 0 EDADHO CC1(C)CO[C@@H](CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144695 596810264 /nfs/dbraw/zinc/81/02/64/596810264.db2.gz DQFMGUAJLAHAMN-JKSUJKDBSA-N 1 3 347.507 1.814 20 0 EDADHO COC(=O)CCNC(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157025 596815907 /nfs/dbraw/zinc/81/59/07/596815907.db2.gz MZSUDBFNBIXRFL-GOEBONIOSA-N 1 3 339.480 1.285 20 0 EDADHO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000872252575 596854811 /nfs/dbraw/zinc/85/48/11/596854811.db2.gz TXYLJZQAVKXZOI-SUNYJGFJSA-N 1 3 338.448 1.172 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000875714227 596958152 /nfs/dbraw/zinc/95/81/52/596958152.db2.gz UHGUOEDWBGSSAR-ARFHVFGLSA-N 1 3 342.553 1.653 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2CSC[C@H]2C1 ZINC000875714227 596958154 /nfs/dbraw/zinc/95/81/54/596958154.db2.gz UHGUOEDWBGSSAR-ARFHVFGLSA-N 1 3 342.553 1.653 20 0 EDADHO COC(=O)[C@H]1CC(=O)N(CN(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743622 597055238 /nfs/dbraw/zinc/05/52/38/597055238.db2.gz GKRAARJYVYSOBB-INIZCTEOSA-N 1 3 339.480 1.265 20 0 EDADHO COCCC1(NC(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]CC1 ZINC000874433429 597076675 /nfs/dbraw/zinc/07/66/75/597076675.db2.gz YERQDKUVAFFUHX-UHFFFAOYSA-N 1 3 340.512 1.709 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CN1C1CC1 ZINC000873247067 597238889 /nfs/dbraw/zinc/23/88/89/597238889.db2.gz HSYXOQXBTZQLMT-UKRRQHHQSA-N 1 3 326.448 1.441 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000876901778 597378013 /nfs/dbraw/zinc/37/80/13/597378013.db2.gz HBFGTKNAGZYNJB-NXHRZFHOSA-N 1 3 332.492 1.292 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000876901778 597378017 /nfs/dbraw/zinc/37/80/17/597378017.db2.gz HBFGTKNAGZYNJB-NXHRZFHOSA-N 1 3 332.492 1.292 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875315013 597380710 /nfs/dbraw/zinc/38/07/10/597380710.db2.gz RBDRLAFUEQWVDC-HNNXBMFYSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C(C)C ZINC000875334025 597388594 /nfs/dbraw/zinc/38/85/94/597388594.db2.gz WUEQJXDNFLXOMP-INIZCTEOSA-N 1 3 342.528 1.640 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](N)CC[NH+](C)C ZINC000877030922 597416864 /nfs/dbraw/zinc/41/68/64/597416864.db2.gz NSOOAHHEOHZRQS-SOLBZPMBSA-N 1 3 330.476 1.408 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281578 597485981 /nfs/dbraw/zinc/48/59/81/597485981.db2.gz IQGAJNUPUDNKCH-RTBURBONSA-N 1 3 342.487 1.552 20 0 EDADHO C[C@@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000877475680 597522309 /nfs/dbraw/zinc/52/23/09/597522309.db2.gz MAMXWKCEFQYZBB-ZDUSSCGKSA-N 1 3 329.485 1.725 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000879594687 597650124 /nfs/dbraw/zinc/65/01/24/597650124.db2.gz QQGXOOIWGJMRPE-IBGZPJMESA-N 1 3 335.467 1.441 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879674078 597682344 /nfs/dbraw/zinc/68/23/44/597682344.db2.gz YDVDIWGVVLHHOZ-UHFFFAOYSA-N 1 3 348.495 1.784 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249712 597864703 /nfs/dbraw/zinc/86/47/03/597864703.db2.gz ZGRDPRCZBBOMBA-AWEZNQCLSA-N 1 3 338.496 1.807 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884175691 598014669 /nfs/dbraw/zinc/01/46/69/598014669.db2.gz COTVWFKYQYZZPT-QGZVFWFLSA-N 1 3 346.475 1.824 20 0 EDADHO COCC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000884308605 598061184 /nfs/dbraw/zinc/06/11/84/598061184.db2.gz XKIPAKYJJQPZTF-OAHLLOKOSA-N 1 3 327.856 1.594 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCN1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243822 695303397 /nfs/dbraw/zinc/30/33/97/695303397.db2.gz UTABGROSJMLNEJ-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914337839 695369604 /nfs/dbraw/zinc/36/96/04/695369604.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000914337839 695369607 /nfs/dbraw/zinc/36/96/07/695369607.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO O=C(N[C@H]1CC[C@H](CNCc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017792 699998835 /nfs/dbraw/zinc/99/88/35/699998835.db2.gz WZEJLULCVZBNPX-KBPBESRZSA-N 1 3 349.504 1.541 20 0 EDADHO COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000940008300 700109949 /nfs/dbraw/zinc/10/99/49/700109949.db2.gz IARBUFNBHLIMIN-HNNXBMFYSA-N 1 3 347.463 1.050 20 0 EDADHO CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836904 697240073 /nfs/dbraw/zinc/24/00/73/697240073.db2.gz ZRSMSJBVPMNGAW-IAGOWNOFSA-N 1 3 339.524 1.922 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055187 699116385 /nfs/dbraw/zinc/11/63/85/699116385.db2.gz VOVWFEVFTLUKQG-MAUKXSAKSA-N 1 3 330.476 1.668 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939127361 699205267 /nfs/dbraw/zinc/20/52/67/699205267.db2.gz COWKTNSKMLSFLV-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939394914 699545118 /nfs/dbraw/zinc/54/51/18/699545118.db2.gz DSQDMLLHPBVFNI-NVXWUHKLSA-N 1 3 333.480 1.089 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)C1CCC1 ZINC000940154464 700284808 /nfs/dbraw/zinc/28/48/08/700284808.db2.gz YQIINLCRECSKMH-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329511 700508811 /nfs/dbraw/zinc/50/88/11/700508811.db2.gz UXDFIODDABVONY-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329520 700508819 /nfs/dbraw/zinc/50/88/19/700508819.db2.gz UYAPHQKMHCJWHM-MRXNPFEDSA-N 1 3 330.476 1.894 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3nccn3C)CC2)C1 ZINC000940329579 700509003 /nfs/dbraw/zinc/50/90/03/700509003.db2.gz VPXDHRCZEGLMOO-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3nccn3C)CC2)C1 ZINC000940329579 700509005 /nfs/dbraw/zinc/50/90/05/700509005.db2.gz VPXDHRCZEGLMOO-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCc3ncnn32)CC1)N(C)C ZINC000940334527 700514501 /nfs/dbraw/zinc/51/45/01/700514501.db2.gz OKMSNNVSIYJXKK-CABCVRRESA-N 1 3 348.495 1.076 20 0 EDADHO CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975406 /nfs/dbraw/zinc/97/54/06/700975406.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 1 3 349.519 1.866 20 0 EDADHO CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975407 /nfs/dbraw/zinc/97/54/07/700975407.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 1 3 349.519 1.866 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186154 701390763 /nfs/dbraw/zinc/39/07/63/701390763.db2.gz DOPZPTJPUZUUJE-DOTOQJQBSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)CC1(C)C ZINC000941186154 701390764 /nfs/dbraw/zinc/39/07/64/701390764.db2.gz DOPZPTJPUZUUJE-DOTOQJQBSA-N 1 3 348.491 1.904 20 0 EDADHO O=C(NCC1CN(CC[C@H]2CCCC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001032131968 701858603 /nfs/dbraw/zinc/85/86/03/701858603.db2.gz XPYCSIUNORPHLV-OAHLLOKOSA-N 1 3 341.446 1.956 20 0 EDADHO Cc1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000999188588 706629915 /nfs/dbraw/zinc/62/99/15/706629915.db2.gz BSMBMSHOMYSBRK-IIAWOOMASA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000999188588 706629916 /nfs/dbraw/zinc/62/99/16/706629916.db2.gz BSMBMSHOMYSBRK-IIAWOOMASA-N 1 3 336.505 1.872 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871364 702175085 /nfs/dbraw/zinc/17/50/85/702175085.db2.gz KSVIQZVOLGWCOQ-IRXDYDNUSA-N 1 3 347.507 1.584 20 0 EDADHO CN(CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1)C1CCC1 ZINC000995918672 702237909 /nfs/dbraw/zinc/23/79/09/702237909.db2.gz OQSXTOQRLJNTKO-IRXDYDNUSA-N 1 3 337.508 1.866 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CCC1 ZINC000995920778 702242348 /nfs/dbraw/zinc/24/23/48/702242348.db2.gz VLVKPJKQJLRNEI-QGZVFWFLSA-N 1 3 330.476 1.893 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@H](NCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995926446 702254447 /nfs/dbraw/zinc/25/44/47/702254447.db2.gz NTITYGYLFLBKMK-HOTGVXAUSA-N 1 3 335.496 1.333 20 0 EDADHO Cc1cccnc1CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155308 702448461 /nfs/dbraw/zinc/44/84/61/702448461.db2.gz MFRABYCYDVUBCU-IRXDYDNUSA-N 1 3 342.487 1.812 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCC1CC1 ZINC000996071006 702482088 /nfs/dbraw/zinc/48/20/88/702482088.db2.gz NFOGRAVKRRZUEP-ASPXRTSYSA-N 1 3 347.503 1.476 20 0 EDADHO Cc1nc(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cs1 ZINC000996353912 702731900 /nfs/dbraw/zinc/73/19/00/702731900.db2.gz FENZXZGKRXRBQS-OAHLLOKOSA-N 1 3 347.488 1.786 20 0 EDADHO C[C@@H](N[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C)C(N)=O ZINC000996413314 702764546 /nfs/dbraw/zinc/76/45/46/702764546.db2.gz CFGUDEAWUGQNNS-CJNGLKHVSA-N 1 3 346.475 1.062 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463547 702791230 /nfs/dbraw/zinc/79/12/30/702791230.db2.gz HTWVYWWDCRJWRM-SFHVURJKSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cn1 ZINC000996463547 702791231 /nfs/dbraw/zinc/79/12/31/702791231.db2.gz HTWVYWWDCRJWRM-SFHVURJKSA-N 1 3 345.491 1.738 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cncs1 ZINC000996522022 702857721 /nfs/dbraw/zinc/85/77/21/702857721.db2.gz VAOCLFAVACODAR-CQSZACIVSA-N 1 3 334.489 1.566 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cnc(C)cn3)CC2)CC[N@@H+]1C ZINC000996604636 702914104 /nfs/dbraw/zinc/91/41/04/702914104.db2.gz VVWHQDYFUNMZQF-ZWKOTPCHSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3cnc(C)cn3)CC2)CC[N@H+]1C ZINC000996604636 702914106 /nfs/dbraw/zinc/91/41/06/702914106.db2.gz VVWHQDYFUNMZQF-ZWKOTPCHSA-N 1 3 345.491 1.596 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CCC1 ZINC000996663538 702961421 /nfs/dbraw/zinc/96/14/21/702961421.db2.gz HDILNIIZARXMHW-UHFFFAOYSA-N 1 3 333.480 1.028 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CCC1 ZINC000996664616 702966704 /nfs/dbraw/zinc/96/67/04/702966704.db2.gz KUMMDPSDKCWBJJ-UHFFFAOYSA-N 1 3 333.480 1.028 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996673267 702968749 /nfs/dbraw/zinc/96/87/49/702968749.db2.gz UYXVSCAKMUEVCV-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000996674418 702969766 /nfs/dbraw/zinc/96/97/66/702969766.db2.gz CXYLEZYHCCCWLB-GOSISDBHSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000996688196 702985282 /nfs/dbraw/zinc/98/52/82/702985282.db2.gz GOURVSIXGWRFLY-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000996688196 702985283 /nfs/dbraw/zinc/98/52/83/702985283.db2.gz GOURVSIXGWRFLY-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC000996730898 703028040 /nfs/dbraw/zinc/02/80/40/703028040.db2.gz VSMHPWJUFSNHNM-UHFFFAOYSA-N 1 3 346.475 1.940 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027826 703049653 /nfs/dbraw/zinc/04/96/53/703049653.db2.gz ZHIVNAVAUUUMKO-AEFFLSMTSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC000997004497 703261661 /nfs/dbraw/zinc/26/16/61/703261661.db2.gz DIZBZAFHDIVNMB-ZBFHGGJFSA-N 1 3 345.491 1.768 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1)N(C)C ZINC000997016197 703274913 /nfs/dbraw/zinc/27/49/13/703274913.db2.gz TXRFQGTWUCSGJG-PBHICJAKSA-N 1 3 333.480 1.767 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC1 ZINC000997114760 703367806 /nfs/dbraw/zinc/36/78/06/703367806.db2.gz GVPIGPMPFVZQOI-SFHVURJKSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997186698 703475982 /nfs/dbraw/zinc/47/59/82/703475982.db2.gz JYVUWLNZSABNOD-UHFFFAOYSA-N 1 3 345.491 1.640 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366945 703600959 /nfs/dbraw/zinc/60/09/59/703600959.db2.gz QVYZBJWEADBURI-CRAIPNDOSA-N 1 3 345.491 1.993 20 0 EDADHO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(CCCO)C1 ZINC001033081480 704136759 /nfs/dbraw/zinc/13/67/59/704136759.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(CCCO)C1 ZINC001033081480 704136761 /nfs/dbraw/zinc/13/67/61/704136761.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1)C1CC1 ZINC000997832018 704750342 /nfs/dbraw/zinc/75/03/42/704750342.db2.gz XJIVPEXNNIGYPH-INIZCTEOSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997860438 704769190 /nfs/dbraw/zinc/76/91/90/704769190.db2.gz HEZYTIGLLXRVPL-YJBOKZPZSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(Cc2cccnc2)CC1 ZINC000997860438 704769191 /nfs/dbraw/zinc/76/91/91/704769191.db2.gz HEZYTIGLLXRVPL-YJBOKZPZSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1CC[NH+](CCO)CC1 ZINC000997874844 704779579 /nfs/dbraw/zinc/77/95/79/704779579.db2.gz SKZXWHHGYAKMRQ-HNNXBMFYSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000997889080 704791003 /nfs/dbraw/zinc/79/10/03/704791003.db2.gz RLNPCDPHIZCMTN-UHFFFAOYSA-N 1 3 346.475 1.940 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998017652 705196482 /nfs/dbraw/zinc/19/64/82/705196482.db2.gz RCNLYFOILLFRKR-UHFFFAOYSA-N 1 3 347.419 1.366 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082528 705309919 /nfs/dbraw/zinc/30/99/19/705309919.db2.gz QJWSORMOEMGBEZ-LSDHHAIUSA-N 1 3 348.495 1.046 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082528 705309922 /nfs/dbraw/zinc/30/99/22/705309922.db2.gz QJWSORMOEMGBEZ-LSDHHAIUSA-N 1 3 348.495 1.046 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083032 705311135 /nfs/dbraw/zinc/31/11/35/705311135.db2.gz SXXVUWPWGLXALE-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998216233 705538016 /nfs/dbraw/zinc/53/80/16/705538016.db2.gz FKOXVMJZORFKGF-AWEZNQCLSA-N 1 3 337.493 1.208 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998216233 705538019 /nfs/dbraw/zinc/53/80/19/705538019.db2.gz FKOXVMJZORFKGF-AWEZNQCLSA-N 1 3 337.493 1.208 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998216377 705538173 /nfs/dbraw/zinc/53/81/73/705538173.db2.gz HIWVMLIHEHNPLC-WBVHZDCISA-N 1 3 345.491 1.708 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998216377 705538175 /nfs/dbraw/zinc/53/81/75/705538175.db2.gz HIWVMLIHEHNPLC-WBVHZDCISA-N 1 3 345.491 1.708 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548335 705983821 /nfs/dbraw/zinc/98/38/21/705983821.db2.gz GNFBINXBXVMDGR-NRXISQOPSA-N 1 3 336.867 1.908 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000998549489 705985810 /nfs/dbraw/zinc/98/58/10/705985810.db2.gz LFJZWIKGSUKZTA-KVULBXGLSA-N 1 3 343.431 1.396 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550473 705987168 /nfs/dbraw/zinc/98/71/68/705987168.db2.gz MGGYNTRWSHQBQU-HTWSVDAQSA-N 1 3 349.450 1.491 20 0 EDADHO COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998553282 705991073 /nfs/dbraw/zinc/99/10/73/705991073.db2.gz VUOQIEZNKRAAOZ-GPANFISMSA-N 1 3 332.448 1.263 20 0 EDADHO Cc1cccnc1CNC1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998779882 706221123 /nfs/dbraw/zinc/22/11/23/706221123.db2.gz IFBWRAUUZKGWKF-DAWZGUTISA-N 1 3 342.487 1.811 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000998866633 706296383 /nfs/dbraw/zinc/29/63/83/706296383.db2.gz MSCWXLPPGGVGEF-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2conc2C)C1 ZINC000998866633 706296384 /nfs/dbraw/zinc/29/63/84/706296384.db2.gz MSCWXLPPGGVGEF-OFLPRAFFSA-N 1 3 334.464 1.936 20 0 EDADHO COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCCN3C)C2)c1 ZINC000998995793 706413235 /nfs/dbraw/zinc/41/32/35/706413235.db2.gz VDRXQZOQNOWWQQ-PVARCSIZSA-N 1 3 346.475 1.654 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143929 706557618 /nfs/dbraw/zinc/55/76/18/706557618.db2.gz RHMQUCAQAMQTPL-AZRLCKCBSA-N 1 3 347.503 1.619 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143882 706557708 /nfs/dbraw/zinc/55/77/08/706557708.db2.gz RASNTTLZFJYIPA-WCWCZOKXSA-N 1 3 333.476 1.229 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276663 707340765 /nfs/dbraw/zinc/34/07/65/707340765.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033276663 707340769 /nfs/dbraw/zinc/34/07/69/707340769.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 1 3 349.519 1.819 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCOC3)C2)c1 ZINC000999870599 707512906 /nfs/dbraw/zinc/51/29/06/707512906.db2.gz NPZLSHFKCPHEQR-IVMQYODDSA-N 1 3 345.487 1.977 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999876905 707525272 /nfs/dbraw/zinc/52/52/72/707525272.db2.gz WYGGOOZETZGBOG-OFLPRAFFSA-N 1 3 333.480 1.337 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000999877012 707525329 /nfs/dbraw/zinc/52/53/29/707525329.db2.gz XLIXAXRZDXNLII-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnoc2C)C1 ZINC000999877012 707525332 /nfs/dbraw/zinc/52/53/32/707525332.db2.gz XLIXAXRZDXNLII-JCYILVPMSA-N 1 3 334.464 1.936 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999986954 707659191 /nfs/dbraw/zinc/65/91/91/707659191.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 1 3 348.495 1.424 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999986954 707659196 /nfs/dbraw/zinc/65/91/96/707659196.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 1 3 348.495 1.424 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833879 /nfs/dbraw/zinc/83/38/79/707833879.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 1 3 329.435 1.906 20 0 EDADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833880 /nfs/dbraw/zinc/83/38/80/707833880.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 1 3 329.435 1.906 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594508 708296805 /nfs/dbraw/zinc/29/68/05/708296805.db2.gz QTJVWOKVQOFSFZ-KRWDZBQOSA-N 1 3 345.491 1.128 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001911137 708416355 /nfs/dbraw/zinc/41/63/55/708416355.db2.gz KKDKBZYKNAQNFF-KRWDZBQOSA-N 1 3 325.497 1.460 20 0 EDADHO Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC001002121599 708635481 /nfs/dbraw/zinc/63/54/81/708635481.db2.gz RXVHUESMKVHMCN-LJQANCHMSA-N 1 3 344.503 1.978 20 0 EDADHO Cc1ccc(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)n1 ZINC001002121599 708635485 /nfs/dbraw/zinc/63/54/85/708635485.db2.gz RXVHUESMKVHMCN-LJQANCHMSA-N 1 3 344.503 1.978 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001002144955 708658865 /nfs/dbraw/zinc/65/88/65/708658865.db2.gz KHKORRXAARRQFW-HNNXBMFYSA-N 1 3 333.476 1.571 20 0 EDADHO COCC[NH+]1CCC(CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001002157433 708671719 /nfs/dbraw/zinc/67/17/19/708671719.db2.gz JTJICCPRBAVJCW-UHFFFAOYSA-N 1 3 333.476 1.836 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001005408261 708915676 /nfs/dbraw/zinc/91/56/76/708915676.db2.gz VZXKWMCNAQBAPR-CRAIPNDOSA-N 1 3 347.507 1.226 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3cnn(C)c3)CC2)CC[N@H+]1C ZINC001005408261 708915680 /nfs/dbraw/zinc/91/56/80/708915680.db2.gz VZXKWMCNAQBAPR-CRAIPNDOSA-N 1 3 347.507 1.226 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CCOC)C2)C1 ZINC001033932629 709090865 /nfs/dbraw/zinc/09/08/65/709090865.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CCOC)C2)C1 ZINC001033932629 709090867 /nfs/dbraw/zinc/09/08/67/709090867.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790952 709398518 /nfs/dbraw/zinc/39/85/18/709398518.db2.gz CSWVKEANZLDPML-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(NC1CCN(CCc2ccns2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002834379 709449582 /nfs/dbraw/zinc/44/95/82/709449582.db2.gz UAIJFIHCOXPBMM-QGZVFWFLSA-N 1 3 348.516 1.608 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953781 709653663 /nfs/dbraw/zinc/65/36/63/709653663.db2.gz CKTOFBWDHGRFPJ-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375376 710293504 /nfs/dbraw/zinc/29/35/04/710293504.db2.gz NOSZFHZZHZBNMF-GOSISDBHSA-N 1 3 345.491 1.338 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647582 710324289 /nfs/dbraw/zinc/32/42/89/710324289.db2.gz MNDUXGQTVBAHHG-YFHUEUNASA-N 1 3 347.507 1.760 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001034647582 710324291 /nfs/dbraw/zinc/32/42/91/710324291.db2.gz MNDUXGQTVBAHHG-YFHUEUNASA-N 1 3 347.507 1.760 20 0 EDADHO CO[C@H](C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1)C1CCC1 ZINC001003628478 710458122 /nfs/dbraw/zinc/45/81/22/710458122.db2.gz QKKGOXUDDDXPKB-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630024 710459678 /nfs/dbraw/zinc/45/96/78/710459678.db2.gz HXYREEQDTJEPIN-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001034693763 710785575 /nfs/dbraw/zinc/78/55/75/710785575.db2.gz GQTZBZRFLKWNNH-RVKOJVRFSA-N 1 3 335.492 1.523 20 0 EDADHO C[C@H](N[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC001034720173 710886536 /nfs/dbraw/zinc/88/65/36/710886536.db2.gz ABLHYBCRAKXMDE-XIRDDKMYSA-N 1 3 345.491 1.896 20 0 EDADHO Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034734826 710913476 /nfs/dbraw/zinc/91/34/76/710913476.db2.gz ADRGUDMXRSTTMA-KBRIMQKVSA-N 1 3 334.464 1.984 20 0 EDADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791482 711116487 /nfs/dbraw/zinc/11/64/87/711116487.db2.gz MFUSPIKDMJGWGT-RBSFLKMASA-N 1 3 336.505 1.920 20 0 EDADHO Cc1csc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034791482 711116490 /nfs/dbraw/zinc/11/64/90/711116490.db2.gz MFUSPIKDMJGWGT-RBSFLKMASA-N 1 3 336.505 1.920 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797141 711130739 /nfs/dbraw/zinc/13/07/39/711130739.db2.gz WVEMUAJIIAUELC-QBPKDAKJSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)C1 ZINC001034958857 711432715 /nfs/dbraw/zinc/43/27/15/711432715.db2.gz MPMASLGHLUCNRC-IAGOWNOFSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)C1 ZINC001034958857 711432719 /nfs/dbraw/zinc/43/27/19/711432719.db2.gz MPMASLGHLUCNRC-IAGOWNOFSA-N 1 3 347.507 1.479 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1)N(C)C ZINC001034971540 711451628 /nfs/dbraw/zinc/45/16/28/711451628.db2.gz PHGUZPUKVFWNCU-IAGOWNOFSA-N 1 3 346.475 1.206 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395322 711454982 /nfs/dbraw/zinc/45/49/82/711454982.db2.gz VDBMNTDMTOIUHX-NCXUSEDFSA-N 1 3 334.508 1.942 20 0 EDADHO CCc1nn(C)cc1CN[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395322 711454985 /nfs/dbraw/zinc/45/49/85/711454985.db2.gz VDBMNTDMTOIUHX-NCXUSEDFSA-N 1 3 334.508 1.942 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421012557 282170360 /nfs/dbraw/zinc/17/03/60/282170360.db2.gz UCYONSCULCYPEY-MSOLQXFVSA-N 1 3 332.492 1.432 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421012557 282170366 /nfs/dbraw/zinc/17/03/66/282170366.db2.gz UCYONSCULCYPEY-MSOLQXFVSA-N 1 3 332.492 1.432 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000343015019 539776264 /nfs/dbraw/zinc/77/62/64/539776264.db2.gz PHGYXVKYTHGLFQ-HRCADAONSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000353521347 539934569 /nfs/dbraw/zinc/93/45/69/539934569.db2.gz RFOVPBMDFIQMDK-RCCFBDPRSA-N 1 3 336.524 1.392 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562746182 306307597 /nfs/dbraw/zinc/30/75/97/306307597.db2.gz CNTMOJGYFSCYBL-GJZGRUSLSA-N 1 3 332.448 1.830 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000562794264 306309311 /nfs/dbraw/zinc/30/93/11/306309311.db2.gz DQVRXTHGCPDOJU-SJLPKXTDSA-N 1 3 330.476 1.950 20 0 EDADHO CCn1ccnc1CN(C(=O)[C@@H](C)NC1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157664 306320851 /nfs/dbraw/zinc/32/08/51/306320851.db2.gz KRPWLWQMYJLULY-ZBFHGGJFSA-N 1 3 345.491 1.514 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000105166713 219467092 /nfs/dbraw/zinc/46/70/92/219467092.db2.gz UWMNZYLQIQUFLS-UHFFFAOYSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000563198115 306322787 /nfs/dbraw/zinc/32/27/87/306322787.db2.gz FUHJQAIWVHQGQX-MRXNPFEDSA-N 1 3 346.475 1.711 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000495155151 540052961 /nfs/dbraw/zinc/05/29/61/540052961.db2.gz YTKZUNZMMAYXMO-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106546289 138303118 /nfs/dbraw/zinc/30/31/18/138303118.db2.gz BDKVDJOSJQKSFK-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106546289 138303119 /nfs/dbraw/zinc/30/31/19/138303119.db2.gz BDKVDJOSJQKSFK-MRXNPFEDSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH2+][C@@H](C)C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000563634365 306343269 /nfs/dbraw/zinc/34/32/69/306343269.db2.gz CVPYTAUDLNIUOQ-KRWDZBQOSA-N 1 3 332.492 1.621 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000186760415 236010170 /nfs/dbraw/zinc/01/01/70/236010170.db2.gz JRDQGDUFVWAUKR-PKOBYXMFSA-N 1 3 344.503 1.621 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000417741055 296025250 /nfs/dbraw/zinc/02/52/50/296025250.db2.gz SUMAKXBVGKXSCI-RHSMWYFYSA-N 1 3 330.476 1.464 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072826291 216311985 /nfs/dbraw/zinc/31/19/85/216311985.db2.gz WAQRRFQQNZYZQG-UHFFFAOYSA-N 1 3 346.519 1.903 20 0 EDADHO C[C@](O)(C[NH2+]CCCN1CCN(c2ccncc2)CC1)C(F)(F)F ZINC000566063514 306397299 /nfs/dbraw/zinc/39/72/99/306397299.db2.gz ZBTMSIAVVFTYTP-HNNXBMFYSA-N 1 3 346.397 1.497 20 0 EDADHO CN1CCC(C[NH2+]Cc2cnn(C(C)(C)C)c2)(N2CCOCC2)CC1 ZINC000414478040 304117943 /nfs/dbraw/zinc/11/79/43/304117943.db2.gz CZQSAPQXNMNLGM-UHFFFAOYSA-N 1 3 349.523 1.524 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000414694842 304128487 /nfs/dbraw/zinc/12/84/87/304128487.db2.gz GFEODWVBHCKWRQ-SJORKVTESA-N 1 3 342.443 1.014 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000414694842 304128489 /nfs/dbraw/zinc/12/84/89/304128489.db2.gz GFEODWVBHCKWRQ-SJORKVTESA-N 1 3 342.443 1.014 20 0 EDADHO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414699973 304129426 /nfs/dbraw/zinc/12/94/26/304129426.db2.gz JZGOCYMABWPTBP-JKSUJKDBSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414699973 304129427 /nfs/dbraw/zinc/12/94/27/304129427.db2.gz JZGOCYMABWPTBP-JKSUJKDBSA-N 1 3 331.460 1.682 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000414708975 304130699 /nfs/dbraw/zinc/13/06/99/304130699.db2.gz QQPRYKNROZHJAI-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000414710345 304131203 /nfs/dbraw/zinc/13/12/03/304131203.db2.gz SICHCEKSUTUHSU-HUUCEWRRSA-N 1 3 346.475 1.581 20 0 EDADHO C[N@H+](CCCOCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414741359 304135629 /nfs/dbraw/zinc/13/56/29/304135629.db2.gz KSAUSJTUBVRSDF-GOSISDBHSA-N 1 3 333.476 1.722 20 0 EDADHO C[N@@H+](CCCOCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414741359 304135630 /nfs/dbraw/zinc/13/56/30/304135630.db2.gz KSAUSJTUBVRSDF-GOSISDBHSA-N 1 3 333.476 1.722 20 0 EDADHO C[NH+]1CCC(NC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000109936248 220003513 /nfs/dbraw/zinc/00/35/13/220003513.db2.gz FYIFRUPXOKTQOW-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO CSc1cc2c(cc1CNCCCN1CC[NH2+]CC1)OCCO2 ZINC000414780176 304139646 /nfs/dbraw/zinc/13/96/46/304139646.db2.gz KWSJCMQNCWWEGE-UHFFFAOYSA-N 1 3 337.489 1.565 20 0 EDADHO CCNC(=O)COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414809461 304143486 /nfs/dbraw/zinc/14/34/86/304143486.db2.gz UFGRPYLDLULKNF-CVEARBPZSA-N 1 3 349.475 1.817 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000415145177 304164954 /nfs/dbraw/zinc/16/49/54/304164954.db2.gz VWZVVWHHOOPHTF-ZFWWWQNUSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000195519170 139019525 /nfs/dbraw/zinc/01/95/25/139019525.db2.gz OYGJCMFLQYANHH-UHFFFAOYSA-N 1 3 333.476 1.845 20 0 EDADHO CC(C)[C@H]([NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000236742613 139030135 /nfs/dbraw/zinc/03/01/35/139030135.db2.gz ZBVRCWJTRLJLDP-IBGZPJMESA-N 1 3 346.519 1.684 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CNC[C@H]1CCCO1 ZINC000236906814 139034871 /nfs/dbraw/zinc/03/48/71/139034871.db2.gz MCUXPYRNKBNNHD-GOSISDBHSA-N 1 3 333.476 1.913 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236955153 139036461 /nfs/dbraw/zinc/03/64/61/139036461.db2.gz FJTRQFJWRCZVLD-QGZVFWFLSA-N 1 3 330.476 1.050 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)C[C@H](N)c3ccccc3)CC2)CC1 ZINC000237164115 139042645 /nfs/dbraw/zinc/04/26/45/139042645.db2.gz JWGBXNCAJMCWFF-IBGZPJMESA-N 1 3 344.503 1.751 20 0 EDADHO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)N(C)C)c1 ZINC000237308105 139047247 /nfs/dbraw/zinc/04/72/47/139047247.db2.gz ZAILCBNISYILIR-RTBURBONSA-N 1 3 341.455 1.984 20 0 EDADHO COc1cc(CNC(=O)C2([NH3+])CCCCC2)ccc1OCCN(C)C ZINC000237335451 139048449 /nfs/dbraw/zinc/04/84/49/139048449.db2.gz WQJBNWUTCZRWFS-UHFFFAOYSA-N 1 3 349.475 1.913 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000237398914 139049944 /nfs/dbraw/zinc/04/99/44/139049944.db2.gz CJHYMDLFRRHHLA-HZPDHXFCSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@@H]1OCC[C@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949700 139091058 /nfs/dbraw/zinc/09/10/58/139091058.db2.gz OZBBZWBIDUWTOD-BMGDILEWSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1OCC[C@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949700 139091059 /nfs/dbraw/zinc/09/10/59/139091059.db2.gz OZBBZWBIDUWTOD-BMGDILEWSA-N 1 3 331.460 1.651 20 0 EDADHO O=C(Nc1cccc(CN2CCCCC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415320329 304194062 /nfs/dbraw/zinc/19/40/62/304194062.db2.gz BIIKPSHQDARPCB-INIZCTEOSA-N 1 3 330.432 1.089 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415369988 304206408 /nfs/dbraw/zinc/20/64/08/304206408.db2.gz CZOMLYRNEUFUQX-CQSZACIVSA-N 1 3 332.448 1.465 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699903 139218711 /nfs/dbraw/zinc/21/87/11/139218711.db2.gz OODGJJUZPLTWQX-IEBWSBKVSA-N 1 3 333.476 1.812 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCNC[C@@H]2c2cccnc2)CC1 ZINC000261730005 139221269 /nfs/dbraw/zinc/22/12/69/139221269.db2.gz LUMMQZOLEIXEBY-GOSISDBHSA-N 1 3 345.491 1.017 20 0 EDADHO C[C@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831258 139229730 /nfs/dbraw/zinc/22/97/30/139229730.db2.gz YTOSWXAIJWCUQS-LJQANCHMSA-N 1 3 348.466 1.535 20 0 EDADHO C[C@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831258 139229731 /nfs/dbraw/zinc/22/97/31/139229731.db2.gz YTOSWXAIJWCUQS-LJQANCHMSA-N 1 3 348.466 1.535 20 0 EDADHO C[C@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831258 139229732 /nfs/dbraw/zinc/22/97/32/139229732.db2.gz YTOSWXAIJWCUQS-LJQANCHMSA-N 1 3 348.466 1.535 20 0 EDADHO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000261878200 139233369 /nfs/dbraw/zinc/23/33/69/139233369.db2.gz TUDCEDLRLMEQNY-NVXWUHKLSA-N 1 3 333.480 1.181 20 0 EDADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000262131249 139253520 /nfs/dbraw/zinc/25/35/20/139253520.db2.gz GNSXXIMJSPQKGY-INIZCTEOSA-N 1 3 333.480 1.198 20 0 EDADHO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000262143025 139254603 /nfs/dbraw/zinc/25/46/03/139254603.db2.gz XZYWTJDZGRZFGM-ZDUSSCGKSA-N 1 3 325.478 1.496 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415761240 251021571 /nfs/dbraw/zinc/02/15/71/251021571.db2.gz UDFDNWBZLHTDNX-UHFFFAOYSA-N 1 3 330.436 1.438 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417007563 251128155 /nfs/dbraw/zinc/12/81/55/251128155.db2.gz LDCFSYPCNQIBIB-XHSDSOJGSA-N 1 3 336.505 1.992 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417012435 251131380 /nfs/dbraw/zinc/13/13/80/251131380.db2.gz AMPDAVIMYACXCN-MJGOQNOKSA-N 1 3 342.487 1.686 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@H]1CCC[NH2+]C1 ZINC000417014497 251132054 /nfs/dbraw/zinc/13/20/54/251132054.db2.gz DLJPEJJDDBFMEJ-INIZCTEOSA-N 1 3 330.476 1.734 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021861 251136360 /nfs/dbraw/zinc/13/63/60/251136360.db2.gz NTPKXIIHQMPFDJ-FUHWJXTLSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000262437519 139279032 /nfs/dbraw/zinc/27/90/32/139279032.db2.gz SJLCJMYNMRFNRD-LPHOPBHVSA-N 1 3 344.503 1.438 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417801794 251276989 /nfs/dbraw/zinc/27/69/89/251276989.db2.gz DDUGOUHYJRIQIR-GDBMZVCRSA-N 1 3 326.485 1.173 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417820373 251282943 /nfs/dbraw/zinc/28/29/43/251282943.db2.gz YALRGJMZLTUOOJ-INIZCTEOSA-N 1 3 340.512 1.707 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122814 251334987 /nfs/dbraw/zinc/33/49/87/251334987.db2.gz YITFDDUZAPPRFK-DOTOQJQBSA-N 1 3 326.485 1.176 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000418430233 251367691 /nfs/dbraw/zinc/36/76/91/251367691.db2.gz OWCFAIMAZSAVBX-MRXNPFEDSA-N 1 3 334.464 1.221 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418160243 251350333 /nfs/dbraw/zinc/35/03/33/251350333.db2.gz DZTGSSAWUIXBHG-AWEZNQCLSA-N 1 3 334.464 1.696 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CCN(C)CC1 ZINC000418196741 251355037 /nfs/dbraw/zinc/35/50/37/251355037.db2.gz IEXHXGSCRMVOJA-ZIAGYGMSSA-N 1 3 328.526 1.440 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2)CC1 ZINC000262649164 139292940 /nfs/dbraw/zinc/29/29/40/139292940.db2.gz KXJSNWCZPXDVSB-UHFFFAOYSA-N 1 3 344.459 1.322 20 0 EDADHO CCC[C@@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666735 139294785 /nfs/dbraw/zinc/29/47/85/139294785.db2.gz KRGBSIKRLHWDJN-MSOLQXFVSA-N 1 3 333.476 1.676 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000262678813 139295792 /nfs/dbraw/zinc/29/57/92/139295792.db2.gz VAAHSVAUOKMPDD-INIZCTEOSA-N 1 3 334.464 1.680 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415587997 304233829 /nfs/dbraw/zinc/23/38/29/304233829.db2.gz ZLZKRIBXRKRZLZ-DZGCQCFKSA-N 1 3 332.448 1.191 20 0 EDADHO CCC[C@](C)(N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701071 139297407 /nfs/dbraw/zinc/29/74/07/139297407.db2.gz IEGHNSAZGSZISW-KXBFYZLASA-N 1 3 346.475 1.840 20 0 EDADHO CCC[C@](C)(N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701071 139297408 /nfs/dbraw/zinc/29/74/08/139297408.db2.gz IEGHNSAZGSZISW-KXBFYZLASA-N 1 3 346.475 1.840 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010678 252026379 /nfs/dbraw/zinc/02/63/79/252026379.db2.gz HBAZKEZXZGMFBT-WDEREUQCSA-N 1 3 326.359 1.211 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423042664 252027151 /nfs/dbraw/zinc/02/71/51/252027151.db2.gz LMXFRTFXWMORPA-OQIJWPOYSA-N 1 3 345.487 1.780 20 0 EDADHO OC[C@@H](CNC1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000423069984 252033227 /nfs/dbraw/zinc/03/32/27/252033227.db2.gz BYJBWUGTCJRDKE-CYBMUJFWSA-N 1 3 327.266 1.942 20 0 EDADHO OC[C@@H](C[NH2+]C1CCNCC1)Cc1ccc(Br)cc1 ZINC000423069984 252033229 /nfs/dbraw/zinc/03/32/29/252033229.db2.gz BYJBWUGTCJRDKE-CYBMUJFWSA-N 1 3 327.266 1.942 20 0 EDADHO C[C@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180966 252043543 /nfs/dbraw/zinc/04/35/43/252043543.db2.gz LAFMKPUABNFQDR-KXBFYZLASA-N 1 3 344.503 1.614 20 0 EDADHO COc1cc(F)c([C@@H](C)NCCCN2CC[NH2+]CC2)cc1OC ZINC000423182580 252043707 /nfs/dbraw/zinc/04/37/07/252043707.db2.gz QJQBMUJXHIVKTE-CYBMUJFWSA-N 1 3 325.428 1.789 20 0 EDADHO CC[C@H](NCc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907972 252018366 /nfs/dbraw/zinc/01/83/66/252018366.db2.gz CMUCODGUHBQUHW-RBUKOAKNSA-N 1 3 346.519 1.988 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422911335 252019550 /nfs/dbraw/zinc/01/95/50/252019550.db2.gz KLKXOBXIKURFQU-IEBWSBKVSA-N 1 3 344.503 1.832 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423794723 252076955 /nfs/dbraw/zinc/07/69/55/252076955.db2.gz YFXGULFHNIHYJM-VQIMIIECSA-N 1 3 328.460 1.804 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000424439698 252231069 /nfs/dbraw/zinc/23/10/69/252231069.db2.gz OSODKHXUXPTFPK-DZGCQCFKSA-N 1 3 346.475 1.629 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)c1 ZINC000424473324 252243933 /nfs/dbraw/zinc/24/39/33/252243933.db2.gz WCTRMLJLKLENQM-HNNXBMFYSA-N 1 3 346.475 1.773 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000426159570 252318760 /nfs/dbraw/zinc/31/87/60/252318760.db2.gz GBGNOSCILSRCOW-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000426159570 252318761 /nfs/dbraw/zinc/31/87/61/252318761.db2.gz GBGNOSCILSRCOW-SFHVURJKSA-N 1 3 338.540 1.737 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415618428 304240222 /nfs/dbraw/zinc/24/02/22/304240222.db2.gz RIHZHDYIRQGKQJ-CJNGLKHVSA-N 1 3 332.448 1.109 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020870 285022710 /nfs/dbraw/zinc/02/27/10/285022710.db2.gz OICBGXQNDIPLRJ-ZACQAIPSSA-N 1 3 338.496 1.365 20 0 EDADHO CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1C[NH2+]C1 ZINC000263347229 139337257 /nfs/dbraw/zinc/33/72/57/139337257.db2.gz ZNWFTDHCJBTFCU-GOSISDBHSA-N 1 3 331.460 1.110 20 0 EDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164424 255359871 /nfs/dbraw/zinc/35/98/71/255359871.db2.gz BPADJVTVHSDICV-YJBOKZPZSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164424 255359872 /nfs/dbraw/zinc/35/98/72/255359872.db2.gz BPADJVTVHSDICV-YJBOKZPZSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164424 255359873 /nfs/dbraw/zinc/35/98/73/255359873.db2.gz BPADJVTVHSDICV-YJBOKZPZSA-N 1 3 343.512 1.972 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750185 285321394 /nfs/dbraw/zinc/32/13/94/285321394.db2.gz KFDQCQMXJVGQBU-IXDOHACOSA-N 1 3 339.528 1.077 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1 ZINC000415842411 304280093 /nfs/dbraw/zinc/28/00/93/304280093.db2.gz PBVUWZVKBPHRLM-KRWDZBQOSA-N 1 3 346.475 1.363 20 0 EDADHO O=C(CNC[C@H]1CCCO1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000296176966 258010983 /nfs/dbraw/zinc/01/09/83/258010983.db2.gz MQSDQNLDKVKAQX-QZTJIDSGSA-N 1 3 346.475 1.321 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC000415928522 304285818 /nfs/dbraw/zinc/28/58/18/304285818.db2.gz FQTRMZDFYIOAJO-QGZVFWFLSA-N 1 3 334.464 1.764 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCN1C ZINC000333387125 141309955 /nfs/dbraw/zinc/30/99/55/141309955.db2.gz WXYUTMXNRVTANK-XPKDYRNWSA-N 1 3 331.464 1.844 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333501430 141327533 /nfs/dbraw/zinc/32/75/33/141327533.db2.gz DJFXIZKVZNUXRU-SJORKVTESA-N 1 3 343.475 1.549 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@@H]3C(F)F)CC2)CC1 ZINC000344728236 143003862 /nfs/dbraw/zinc/00/38/62/143003862.db2.gz WJDUKGOXBVUZGD-KBPBESRZSA-N 1 3 330.423 1.498 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CCN(C)CC2)[C@H](C)C1 ZINC000346819213 143248752 /nfs/dbraw/zinc/24/87/52/143248752.db2.gz ICLMLZACXZWGKX-WBVHZDCISA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2CCN(C)CC2)[C@H](C)C1 ZINC000346819213 143248753 /nfs/dbraw/zinc/24/87/53/143248753.db2.gz ICLMLZACXZWGKX-WBVHZDCISA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2CCN(C)CC2)[C@H](C)C1 ZINC000346979665 143268022 /nfs/dbraw/zinc/26/80/22/143268022.db2.gz MYQJNWNTTSZSHJ-SJLPKXTDSA-N 1 3 339.524 1.972 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CC2CCN(C)CC2)[C@H](C)C1 ZINC000346979665 143268023 /nfs/dbraw/zinc/26/80/23/143268023.db2.gz MYQJNWNTTSZSHJ-SJLPKXTDSA-N 1 3 339.524 1.972 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000347241644 143299157 /nfs/dbraw/zinc/29/91/57/143299157.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000347241644 143299158 /nfs/dbraw/zinc/29/91/58/143299158.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 1 3 340.512 1.611 20 0 EDADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369680746 155134463 /nfs/dbraw/zinc/13/44/63/155134463.db2.gz XOADAYWYLVHLHX-KRWDZBQOSA-N 1 3 337.508 1.964 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369742645 155157642 /nfs/dbraw/zinc/15/76/42/155157642.db2.gz SOTPMYAHJRIAGY-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369742645 155157645 /nfs/dbraw/zinc/15/76/45/155157645.db2.gz SOTPMYAHJRIAGY-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341070494 149062904 /nfs/dbraw/zinc/06/29/04/149062904.db2.gz QGFBNLSNXKJNBM-BBWFWOEESA-N 1 3 338.496 1.365 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000341070494 149062907 /nfs/dbraw/zinc/06/29/07/149062907.db2.gz QGFBNLSNXKJNBM-BBWFWOEESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416972749 304358104 /nfs/dbraw/zinc/35/81/04/304358104.db2.gz SUZVJAJKLURKBV-WBVHZDCISA-N 1 3 348.491 1.896 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000416976736 304359163 /nfs/dbraw/zinc/35/91/63/304359163.db2.gz RTMOPKAWTXFDDC-INIZCTEOSA-N 1 3 348.491 1.816 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355240436 150180355 /nfs/dbraw/zinc/18/03/55/150180355.db2.gz RRXWJTNQGAJLJV-LJQANCHMSA-N 1 3 347.503 1.935 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355240436 150180357 /nfs/dbraw/zinc/18/03/57/150180357.db2.gz RRXWJTNQGAJLJV-LJQANCHMSA-N 1 3 347.503 1.935 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267490 150192402 /nfs/dbraw/zinc/19/24/02/150192402.db2.gz DISGRMZXPKREQB-JKSUJKDBSA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)CCn1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1=O ZINC000355335351 150223226 /nfs/dbraw/zinc/22/32/26/150223226.db2.gz PHRHBENPJPQHNS-MRXNPFEDSA-N 1 3 334.464 1.613 20 0 EDADHO CN(C)CCn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)ccc1=O ZINC000355335351 150223227 /nfs/dbraw/zinc/22/32/27/150223227.db2.gz PHRHBENPJPQHNS-MRXNPFEDSA-N 1 3 334.464 1.613 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000370023676 155286894 /nfs/dbraw/zinc/28/68/94/155286894.db2.gz ZFOQERMYBSCDLH-QGZVFWFLSA-N 1 3 330.476 1.457 20 0 EDADHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000357372898 151010453 /nfs/dbraw/zinc/01/04/53/151010453.db2.gz KHUFHVLLTHWTMM-GFCCVEGCSA-N 1 3 325.403 1.711 20 0 EDADHO CSC1(CNC(=O)NCCN2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000357610247 151083838 /nfs/dbraw/zinc/08/38/38/151083838.db2.gz SMFOAZNLUUJOGP-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094984 151268171 /nfs/dbraw/zinc/26/81/71/151268171.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 1 3 349.523 1.058 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000358094984 151268172 /nfs/dbraw/zinc/26/81/72/151268172.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 1 3 349.523 1.058 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167454 151293384 /nfs/dbraw/zinc/29/33/84/151293384.db2.gz MNXYWUAMCBZBJS-NUJGCVRESA-N 1 3 331.460 1.596 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000358167454 151293387 /nfs/dbraw/zinc/29/33/87/151293387.db2.gz MNXYWUAMCBZBJS-NUJGCVRESA-N 1 3 331.460 1.596 20 0 EDADHO COCC1(CNC(=O)NCc2cccc(CN(C)C)c2)CC[NH2+]CC1 ZINC000417077625 304370445 /nfs/dbraw/zinc/37/04/45/304370445.db2.gz XSEIZSHQLPJTIM-UHFFFAOYSA-N 1 3 348.491 1.564 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742717 152180334 /nfs/dbraw/zinc/18/03/34/152180334.db2.gz AIXOKIGNPYLCBL-GDBMZVCRSA-N 1 3 328.526 1.549 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360742717 152180335 /nfs/dbraw/zinc/18/03/35/152180335.db2.gz AIXOKIGNPYLCBL-GDBMZVCRSA-N 1 3 328.526 1.549 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417243174 304387235 /nfs/dbraw/zinc/38/72/35/304387235.db2.gz VGNWLMMMJFLUNU-KRWDZBQOSA-N 1 3 333.480 1.592 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417243174 304387236 /nfs/dbraw/zinc/38/72/36/304387236.db2.gz VGNWLMMMJFLUNU-KRWDZBQOSA-N 1 3 333.480 1.592 20 0 EDADHO COC(=O)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C1CC1 ZINC000367600265 154195361 /nfs/dbraw/zinc/19/53/61/154195361.db2.gz JDSIBGYVXZDPPM-MSOLQXFVSA-N 1 3 337.508 1.534 20 0 EDADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@@H]1C1CC1 ZINC000367600265 154195365 /nfs/dbraw/zinc/19/53/65/154195365.db2.gz JDSIBGYVXZDPPM-MSOLQXFVSA-N 1 3 337.508 1.534 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@@H+](CC)C[C@H]3C)C2)no1 ZINC000367703462 154236939 /nfs/dbraw/zinc/23/69/39/154236939.db2.gz YNAGIBYYHSXCLX-PMPSAXMXSA-N 1 3 335.496 1.916 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@H+](CC)C[C@H]3C)C2)no1 ZINC000367703462 154236943 /nfs/dbraw/zinc/23/69/43/154236943.db2.gz YNAGIBYYHSXCLX-PMPSAXMXSA-N 1 3 335.496 1.916 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000417340112 304392681 /nfs/dbraw/zinc/39/26/81/304392681.db2.gz AAXWKRYSSKNAEU-GVDBMIGSSA-N 1 3 346.475 1.506 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000417374089 304395268 /nfs/dbraw/zinc/39/52/68/304395268.db2.gz YXVKIIUHJVVOSB-UHFFFAOYSA-N 1 3 334.464 1.696 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000374146902 157164946 /nfs/dbraw/zinc/16/49/46/157164946.db2.gz YGBKFTPXFPKFCL-HZPDHXFCSA-N 1 3 337.508 1.676 20 0 EDADHO N[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585108 157336980 /nfs/dbraw/zinc/33/69/80/157336980.db2.gz NUPVTVUSXINVKM-MJGOQNOKSA-N 1 3 345.487 1.769 20 0 EDADHO N[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585108 157336983 /nfs/dbraw/zinc/33/69/83/157336983.db2.gz NUPVTVUSXINVKM-MJGOQNOKSA-N 1 3 345.487 1.769 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)C1 ZINC000378200729 158106496 /nfs/dbraw/zinc/10/64/96/158106496.db2.gz MGJZYAJBWLAPKT-ROUUACIJSA-N 1 3 330.476 1.315 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H](N)c3ccccc3)CC2)C1 ZINC000378200729 158106498 /nfs/dbraw/zinc/10/64/98/158106498.db2.gz MGJZYAJBWLAPKT-ROUUACIJSA-N 1 3 330.476 1.315 20 0 EDADHO CN1CCN(C2(CNC(=O)C[C@@H]3CCC[NH2+]3)CCCCCC2)CC1 ZINC000378203425 158108117 /nfs/dbraw/zinc/10/81/17/158108117.db2.gz QXVFNKVHQAEXJM-KRWDZBQOSA-N 1 3 336.524 1.585 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536532 287261147 /nfs/dbraw/zinc/26/11/47/287261147.db2.gz CEVBQHGCXZMMCQ-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000073827301 287265248 /nfs/dbraw/zinc/26/52/48/287265248.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000073827301 287265250 /nfs/dbraw/zinc/26/52/50/287265250.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]CCN2CCN(Cc3ccccc3)CC2)CCN1C ZINC000159335948 225197629 /nfs/dbraw/zinc/19/76/29/225197629.db2.gz CGRJTXUHQXRYOV-ICSRJNTNSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000159335948 225197634 /nfs/dbraw/zinc/19/76/34/225197634.db2.gz CGRJTXUHQXRYOV-ICSRJNTNSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@H]1C[C@@H](NCCN2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000159335948 225197643 /nfs/dbraw/zinc/19/76/43/225197643.db2.gz CGRJTXUHQXRYOV-ICSRJNTNSA-N 1 3 330.520 1.877 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(CN(C)C)c1)C[NH+]1CCCC1 ZINC000122474725 222095224 /nfs/dbraw/zinc/09/52/24/222095224.db2.gz XKLQPBFCSCGLFQ-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO Cc1ccc(F)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130594882 287495497 /nfs/dbraw/zinc/49/54/97/287495497.db2.gz OFMASRZQLGJRJR-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCN1CCCO ZINC000655680198 452507051 /nfs/dbraw/zinc/50/70/51/452507051.db2.gz JOKXMGHTACDUCW-CVEARBPZSA-N 1 3 326.485 1.007 20 0 EDADHO Cc1cc2ncn(C[C@@H](O)CN(C)C[C@H]3CC[N@H+](C)C3)c2cc1C ZINC000275401643 268337420 /nfs/dbraw/zinc/33/74/20/268337420.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 1 3 330.476 1.898 20 0 EDADHO Cc1cc2ncn(C[C@@H](O)CN(C)C[C@H]3CC[N@@H+](C)C3)c2cc1C ZINC000275401643 268337422 /nfs/dbraw/zinc/33/74/22/268337422.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 1 3 330.476 1.898 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000277380898 268543220 /nfs/dbraw/zinc/54/32/20/268543220.db2.gz CTORYYKPQJXBHK-KSZLIROESA-N 1 3 331.460 1.299 20 0 EDADHO CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)(C)O ZINC000274553402 273095946 /nfs/dbraw/zinc/09/59/46/273095946.db2.gz AHFRRVKNAHPEMD-QGZVFWFLSA-N 1 3 335.492 1.888 20 0 EDADHO CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC(C)(C)O ZINC000274553402 273095947 /nfs/dbraw/zinc/09/59/47/273095947.db2.gz AHFRRVKNAHPEMD-QGZVFWFLSA-N 1 3 335.492 1.888 20 0 EDADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCCN(C2CCCC2)CC1 ZINC000362564188 275011273 /nfs/dbraw/zinc/01/12/73/275011273.db2.gz IKOZXONMHMUQOK-AWEZNQCLSA-N 1 3 331.464 1.577 20 0 EDADHO O=S1(=O)CCCN1[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000647990275 452733543 /nfs/dbraw/zinc/73/35/43/452733543.db2.gz NHPQCCFHUPNLPO-INIZCTEOSA-N 1 3 329.510 1.266 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850960 278305995 /nfs/dbraw/zinc/30/59/95/278305995.db2.gz SHIQUHPTBDUDLJ-SJLPKXTDSA-N 1 3 332.492 1.609 20 0 EDADHO C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749126 278346566 /nfs/dbraw/zinc/34/65/66/278346566.db2.gz PEHUHVUKLPTXBX-KGLIPLIRSA-N 1 3 336.480 1.559 20 0 EDADHO C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749126 278346568 /nfs/dbraw/zinc/34/65/68/278346568.db2.gz PEHUHVUKLPTXBX-KGLIPLIRSA-N 1 3 336.480 1.559 20 0 EDADHO C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCCN(C2CCC2)C1 ZINC000185749126 278346569 /nfs/dbraw/zinc/34/65/69/278346569.db2.gz PEHUHVUKLPTXBX-KGLIPLIRSA-N 1 3 336.480 1.559 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000347528513 279110636 /nfs/dbraw/zinc/11/06/36/279110636.db2.gz MQFBCUFRNGZMHA-SFHVURJKSA-N 1 3 331.460 1.863 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C)C(C)C ZINC000359554789 279190753 /nfs/dbraw/zinc/19/07/53/279190753.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C)C(C)C ZINC000359554789 279190755 /nfs/dbraw/zinc/19/07/55/279190755.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](CCN1CCOCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910988 279264411 /nfs/dbraw/zinc/26/44/11/279264411.db2.gz JTGOPDJSVRJXSS-KPFFTGBYSA-N 1 3 345.487 1.943 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000352385263 288159454 /nfs/dbraw/zinc/15/94/54/288159454.db2.gz DOURPGFEMGRJSJ-NUJGCVRESA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000287304867 288205043 /nfs/dbraw/zinc/20/50/43/288205043.db2.gz VVJRQCLDFLEZPA-INIZCTEOSA-N 1 3 332.492 1.897 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000419652341 304650881 /nfs/dbraw/zinc/65/08/81/304650881.db2.gz PQDHIOGULJCHGZ-KBPBESRZSA-N 1 3 334.464 1.038 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000419637499 447311282 /nfs/dbraw/zinc/31/12/82/447311282.db2.gz AMPSPAFWKYLXKX-ZDUSSCGKSA-N 1 3 334.464 1.086 20 0 EDADHO CCC[C@H](O)[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811124 304688488 /nfs/dbraw/zinc/68/84/88/304688488.db2.gz HGBWMYIGRFVFKL-ICSRJNTNSA-N 1 3 349.519 1.829 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753804 447322400 /nfs/dbraw/zinc/32/24/00/447322400.db2.gz RAUMLRCFIYTMTK-AWEZNQCLSA-N 1 3 333.480 1.853 20 0 EDADHO COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414753373 447323119 /nfs/dbraw/zinc/32/31/19/447323119.db2.gz MEMHTEHHHUVSIY-XHSDSOJGSA-N 1 3 339.480 1.285 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000664758946 453384364 /nfs/dbraw/zinc/38/43/64/453384364.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 1 3 342.528 1.907 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000664758946 453384373 /nfs/dbraw/zinc/38/43/73/453384373.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 1 3 342.528 1.907 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000297247519 303377587 /nfs/dbraw/zinc/37/75/87/303377587.db2.gz QIXXJVWPGYWISF-UHFFFAOYSA-N 1 3 344.503 1.623 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000333936732 303806841 /nfs/dbraw/zinc/80/68/41/303806841.db2.gz KUJFOGPKNVIJFJ-HNNXBMFYSA-N 1 3 340.537 1.647 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000414875247 447339635 /nfs/dbraw/zinc/33/96/35/447339635.db2.gz IXPQRCXLBJAPHI-INIZCTEOSA-N 1 3 332.448 1.191 20 0 EDADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000493574223 447345118 /nfs/dbraw/zinc/34/51/18/447345118.db2.gz ABWDZNTUOSXPHW-AXJDHONKSA-N 1 3 345.487 1.758 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958844 304880942 /nfs/dbraw/zinc/88/09/42/304880942.db2.gz QEHUAZGCGWZPCA-OCCSQVGLSA-N 1 3 325.840 1.789 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000430683816 305062431 /nfs/dbraw/zinc/06/24/31/305062431.db2.gz XSSPDGKTEVZVND-INIZCTEOSA-N 1 3 337.489 1.662 20 0 EDADHO O=C(NCC1(N2CCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430722974 305063395 /nfs/dbraw/zinc/06/33/95/305063395.db2.gz RGWSSSCJJNLJOP-IKGGRYGDSA-N 1 3 335.492 1.668 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)C(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000431030883 305073271 /nfs/dbraw/zinc/07/32/71/305073271.db2.gz SMOHGJJZIQBFNH-GJZGRUSLSA-N 1 3 325.497 1.709 20 0 EDADHO CN(C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1cccs1 ZINC000433121198 305100835 /nfs/dbraw/zinc/10/08/35/305100835.db2.gz QTZDNGQJLZLWPH-OAHLLOKOSA-N 1 3 338.521 1.670 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000433156956 305101932 /nfs/dbraw/zinc/10/19/32/305101932.db2.gz DLIJKAHDNFIMFN-OALUTQOASA-N 1 3 346.519 1.712 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000433285161 305105014 /nfs/dbraw/zinc/10/50/14/305105014.db2.gz LJNBFYSYGQYRSG-HNNXBMFYSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000433285161 305105015 /nfs/dbraw/zinc/10/50/15/305105015.db2.gz LJNBFYSYGQYRSG-HNNXBMFYSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433386165 305107249 /nfs/dbraw/zinc/10/72/49/305107249.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433386165 305107250 /nfs/dbraw/zinc/10/72/50/305107250.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000433395208 305107767 /nfs/dbraw/zinc/10/77/67/305107767.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 1 3 338.496 1.437 20 0 EDADHO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1=CCN(C)CC1 ZINC000433395208 305107768 /nfs/dbraw/zinc/10/77/68/305107768.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 1 3 338.496 1.437 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411718 305108410 /nfs/dbraw/zinc/10/84/10/305108410.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCN1C ZINC000433411718 305108411 /nfs/dbraw/zinc/10/84/11/305108411.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 1 3 326.485 1.269 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433919148 305114632 /nfs/dbraw/zinc/11/46/32/305114632.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433919148 305114633 /nfs/dbraw/zinc/11/46/33/305114633.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455426 305123050 /nfs/dbraw/zinc/12/30/50/305123050.db2.gz ZDDZYRVCBJOSSL-QGZVFWFLSA-N 1 3 330.476 1.704 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435238028 305137646 /nfs/dbraw/zinc/13/76/46/305137646.db2.gz PCRLQFXJLZANRP-LJQANCHMSA-N 1 3 342.487 1.552 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436065226 305151935 /nfs/dbraw/zinc/15/19/35/305151935.db2.gz OQZZBRMXTPRCNG-IXDOHACOSA-N 1 3 325.497 1.901 20 0 EDADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1CCN(C)C ZINC000436488730 305158636 /nfs/dbraw/zinc/15/86/36/305158636.db2.gz NOZALSJHDIGQON-HUUCEWRRSA-N 1 3 334.468 1.535 20 0 EDADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1CCN(C)C ZINC000436488730 305158637 /nfs/dbraw/zinc/15/86/37/305158637.db2.gz NOZALSJHDIGQON-HUUCEWRRSA-N 1 3 334.468 1.535 20 0 EDADHO CC(C)[C@H](C(=O)NCCN1CCN(C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968613 305232334 /nfs/dbraw/zinc/23/23/34/305232334.db2.gz SIRPWDHQFXSYFQ-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO COCCN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457998129 305498253 /nfs/dbraw/zinc/49/82/53/305498253.db2.gz ZYSIZJYRRKVWDG-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCN2CC)on1 ZINC000448852063 447352361 /nfs/dbraw/zinc/35/23/61/447352361.db2.gz HSIRVUFYXJVVLX-CQSZACIVSA-N 1 3 338.452 1.561 20 0 EDADHO CN(C)C1(CNC(=O)NC(C)(C)C[NH+](C)C)Cc2ccccc2C1 ZINC000458414549 447354460 /nfs/dbraw/zinc/35/44/60/447354460.db2.gz CSMBFFVXKIXUBS-UHFFFAOYSA-N 1 3 332.492 1.725 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922031 447358179 /nfs/dbraw/zinc/35/81/79/447358179.db2.gz GCDWOZOGYGKKDM-XJKSGUPXSA-N 1 3 332.448 1.588 20 0 EDADHO C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000535013496 306010404 /nfs/dbraw/zinc/01/04/04/306010404.db2.gz WXVXURWHYQLLFH-SQNIBIBYSA-N 1 3 325.497 1.140 20 0 EDADHO C[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1N1CCN(C)CC1 ZINC000535013496 306010405 /nfs/dbraw/zinc/01/04/05/306010405.db2.gz WXVXURWHYQLLFH-SQNIBIBYSA-N 1 3 325.497 1.140 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000543027391 306060101 /nfs/dbraw/zinc/06/01/01/306060101.db2.gz RNVCSJKAILBFLN-ZWKOTPCHSA-N 1 3 330.476 1.704 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@@H+]1C ZINC000548102792 306119967 /nfs/dbraw/zinc/11/99/67/306119967.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC[N@H+]1C ZINC000548102792 306119968 /nfs/dbraw/zinc/11/99/68/306119968.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 1 3 339.528 1.184 20 0 EDADHO CCc1ccc([C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])N(C)C)cc1 ZINC000557135690 306224653 /nfs/dbraw/zinc/22/46/53/306224653.db2.gz LIHFXQDIEBNAPR-MSOLQXFVSA-N 1 3 347.507 1.136 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C ZINC000665146265 453588970 /nfs/dbraw/zinc/58/89/70/453588970.db2.gz UPQNXMFZCFPJRL-ZJIFWQFVSA-N 1 3 328.501 1.371 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C ZINC000665146265 453588975 /nfs/dbraw/zinc/58/89/75/453588975.db2.gz UPQNXMFZCFPJRL-ZJIFWQFVSA-N 1 3 328.501 1.371 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419724335 447374848 /nfs/dbraw/zinc/37/48/48/447374848.db2.gz GVZZYVCEGPTDGU-GJZGRUSLSA-N 1 3 346.475 1.052 20 0 EDADHO COc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C ZINC000414972699 447380434 /nfs/dbraw/zinc/38/04/34/447380434.db2.gz MVAHPCOVCCHGDH-HNNXBMFYSA-N 1 3 331.382 1.929 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426125440 447394304 /nfs/dbraw/zinc/39/43/04/447394304.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 1 3 348.535 1.630 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426125440 447394307 /nfs/dbraw/zinc/39/43/07/447394307.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 1 3 348.535 1.630 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H](N)c2ccccc2)CCCCC1 ZINC000419817724 447429540 /nfs/dbraw/zinc/42/95/40/447429540.db2.gz LXIHUOMEQWUDPU-INIZCTEOSA-N 1 3 346.475 1.183 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCC1 ZINC000072816933 441262642 /nfs/dbraw/zinc/26/26/42/441262642.db2.gz UNKHTNWRCIRZEN-UHFFFAOYSA-N 1 3 344.503 1.801 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108549815 441463470 /nfs/dbraw/zinc/46/34/70/441463470.db2.gz VMEYEHXONUGFJT-KRWDZBQOSA-N 1 3 348.491 1.768 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000108549815 441463474 /nfs/dbraw/zinc/46/34/74/441463474.db2.gz VMEYEHXONUGFJT-KRWDZBQOSA-N 1 3 348.491 1.768 20 0 EDADHO CN(CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441464997 /nfs/dbraw/zinc/46/49/97/441464997.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO CN(CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441465001 /nfs/dbraw/zinc/46/50/01/441465001.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549377 441828722 /nfs/dbraw/zinc/82/87/22/441828722.db2.gz MHAHFSZWTWBNHJ-HZPDHXFCSA-N 1 3 342.528 1.763 20 0 EDADHO O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)NC1CCN(C2CC2)CC1 ZINC000150759580 441944939 /nfs/dbraw/zinc/94/49/39/441944939.db2.gz OGTNMXPHCKXNNS-MRXNPFEDSA-N 1 3 334.508 1.147 20 0 EDADHO Cc1ccc(C(N)=O)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000120019150 441994911 /nfs/dbraw/zinc/99/49/11/441994911.db2.gz SKODEPOAMPGRFZ-UHFFFAOYSA-N 1 3 335.452 1.051 20 0 EDADHO COCCN(C)CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079077002 442017148 /nfs/dbraw/zinc/01/71/48/442017148.db2.gz VKGIELKEHVQYDG-UHFFFAOYSA-N 1 3 328.501 1.563 20 0 EDADHO COC(=O)c1csc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120289375 442043903 /nfs/dbraw/zinc/04/39/03/442043903.db2.gz ZPIXBOSUTKCBMP-UHFFFAOYSA-N 1 3 342.465 1.492 20 0 EDADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000162326375 442083580 /nfs/dbraw/zinc/08/35/80/442083580.db2.gz JWRJIPDBJGGSSX-JKSUJKDBSA-N 1 3 340.512 1.205 20 0 EDADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000162326375 442083585 /nfs/dbraw/zinc/08/35/85/442083585.db2.gz JWRJIPDBJGGSSX-JKSUJKDBSA-N 1 3 340.512 1.205 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000151566584 442085831 /nfs/dbraw/zinc/08/58/31/442085831.db2.gz GJPMKIXGYNBLNV-YJBOKZPZSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN1C1CCOCC1 ZINC000151566584 442085834 /nfs/dbraw/zinc/08/58/34/442085834.db2.gz GJPMKIXGYNBLNV-YJBOKZPZSA-N 1 3 335.492 1.763 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000126387485 442105944 /nfs/dbraw/zinc/10/59/44/442105944.db2.gz ZIRVXOWVMKWEKH-RTBURBONSA-N 1 3 346.519 1.822 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000176042997 442165691 /nfs/dbraw/zinc/16/56/91/442165691.db2.gz ZEINIHPHSDAQSF-UHFFFAOYSA-N 1 3 346.475 1.597 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152478815 442217563 /nfs/dbraw/zinc/21/75/63/442217563.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 1 3 332.448 1.388 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152478815 442217567 /nfs/dbraw/zinc/21/75/67/442217567.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 1 3 332.448 1.388 20 0 EDADHO CC1(C)C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C(C)(C)O1 ZINC000168950286 442225228 /nfs/dbraw/zinc/22/52/28/442225228.db2.gz PLLYTRLPMXTKSN-MRXNPFEDSA-N 1 3 327.513 1.312 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177327738 442329056 /nfs/dbraw/zinc/32/90/56/442329056.db2.gz YPUOYCKVABACDV-MSOLQXFVSA-N 1 3 336.524 1.534 20 0 EDADHO COC(=O)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177376066 442333584 /nfs/dbraw/zinc/33/35/84/442333584.db2.gz ACIIQLRBFFOQOW-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO COC(=O)c1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000177379173 442333702 /nfs/dbraw/zinc/33/37/02/442333702.db2.gz ZZXCWWMFPCJGPI-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC000129320335 442311531 /nfs/dbraw/zinc/31/15/31/442311531.db2.gz YSHWQOYFEVRTBG-QZTJIDSGSA-N 1 3 332.492 1.752 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000178956878 442538067 /nfs/dbraw/zinc/53/80/67/442538067.db2.gz ZRWAWKMIIVBSKQ-KRWDZBQOSA-N 1 3 330.476 1.315 20 0 EDADHO CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CCN(C)CC1 ZINC000157412373 442581294 /nfs/dbraw/zinc/58/12/94/442581294.db2.gz CCDIUBPFHRQTHS-QGZVFWFLSA-N 1 3 341.544 1.240 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000186729983 442603034 /nfs/dbraw/zinc/60/30/34/442603034.db2.gz MYFFEEKKDBKIBS-QAPCUYQASA-N 1 3 325.497 1.757 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000173176363 442617392 /nfs/dbraw/zinc/61/73/92/442617392.db2.gz ALYGOZZBCJRJQR-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000187411021 442675082 /nfs/dbraw/zinc/67/50/82/442675082.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187411021 442675084 /nfs/dbraw/zinc/67/50/84/442675084.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)N(CCN(C)C)Cc1ccccn1)C[NH+]1CCCC1 ZINC000171547056 318434316 /nfs/dbraw/zinc/43/43/16/318434316.db2.gz IOLKYECGEFFMGM-QGZVFWFLSA-N 1 3 347.507 1.887 20 0 EDADHO C[C@H](CCNC(=O)Nc1ccn(CCN(C)C)n1)[NH+]1CCCCC1 ZINC000183765064 318528563 /nfs/dbraw/zinc/52/85/63/318528563.db2.gz TVONDGSGNQFACS-OAHLLOKOSA-N 1 3 336.484 1.831 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000248999716 442943952 /nfs/dbraw/zinc/94/39/52/442943952.db2.gz OJZHNRGWGCAQIB-RCCFBDPRSA-N 1 3 348.466 1.181 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000195145850 442989532 /nfs/dbraw/zinc/98/95/32/442989532.db2.gz MVVAIUVCJYISRA-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268714454 443086748 /nfs/dbraw/zinc/08/67/48/443086748.db2.gz IRCBMMOZSMFEOY-AATRIKPKSA-N 1 3 331.464 1.668 20 0 EDADHO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(OCCN(C)C)c1 ZINC000268769181 443102866 /nfs/dbraw/zinc/10/28/66/443102866.db2.gz RUWMNUKAOZVMPZ-CQSZACIVSA-N 1 3 343.493 1.217 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268955386 443158263 /nfs/dbraw/zinc/15/82/63/443158263.db2.gz DHDQFJBRKZKFHO-CQSZACIVSA-N 1 3 333.432 1.751 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185498542 443208741 /nfs/dbraw/zinc/20/87/41/443208741.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185498542 443208746 /nfs/dbraw/zinc/20/87/46/443208746.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCN(C)c1ccc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cn1 ZINC000190952976 443214013 /nfs/dbraw/zinc/21/40/13/443214013.db2.gz MKJXCRBIEOXEDT-QGZVFWFLSA-N 1 3 333.524 1.901 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262899234 443216895 /nfs/dbraw/zinc/21/68/95/443216895.db2.gz PITCDUWHQHRJIE-NJAFHUGGSA-N 1 3 333.476 1.862 20 0 EDADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1CNCCO1 ZINC000269239723 443246145 /nfs/dbraw/zinc/24/61/45/443246145.db2.gz QKYFLHKZZHMQKC-HNNXBMFYSA-N 1 3 339.505 1.797 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397508068 319135398 /nfs/dbraw/zinc/13/53/98/319135398.db2.gz FYBDEOCVFLHDMD-UHFFFAOYSA-N 1 3 327.469 1.432 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)[C@@H]2CCC[C@@H]2C)CC1 ZINC000411628653 319191096 /nfs/dbraw/zinc/19/10/96/319191096.db2.gz WZEZBJOIEFXGOD-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000411645934 319191505 /nfs/dbraw/zinc/19/15/05/319191505.db2.gz LSRIYJRFHMIRSO-NVXWUHKLSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)[C@H]2CC[C@@H](C)C2)CC1 ZINC000411645938 319191582 /nfs/dbraw/zinc/19/15/82/319191582.db2.gz LSRIYJRFHMIRSO-WBVHZDCISA-N 1 3 325.497 1.458 20 0 EDADHO CC[C@H](C(=O)NC(C)(C)CCNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000413848490 319293065 /nfs/dbraw/zinc/29/30/65/319293065.db2.gz WFINQQJKCIPCLU-ZIAGYGMSSA-N 1 3 328.501 1.068 20 0 EDADHO CC[C@H](C(=O)NCCC(C)(C)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000413848490 319293066 /nfs/dbraw/zinc/29/30/66/319293066.db2.gz WFINQQJKCIPCLU-ZIAGYGMSSA-N 1 3 328.501 1.068 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000413935571 319304954 /nfs/dbraw/zinc/30/49/54/319304954.db2.gz DTMQFPDLGCGERE-DZGCQCFKSA-N 1 3 335.448 1.772 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000413935571 319304957 /nfs/dbraw/zinc/30/49/57/319304957.db2.gz DTMQFPDLGCGERE-DZGCQCFKSA-N 1 3 335.448 1.772 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000414676506 319340274 /nfs/dbraw/zinc/34/02/74/319340274.db2.gz HXTKOOFGSUHVQY-UHFFFAOYSA-N 1 3 346.475 1.581 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](CC)CC)CC1 ZINC000246127905 443271021 /nfs/dbraw/zinc/27/10/21/443271021.db2.gz OTJFLFBDAOHHDF-WKILWMFISA-N 1 3 340.512 1.214 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415871623 319380053 /nfs/dbraw/zinc/38/00/53/319380053.db2.gz QPSQSJQFEBNMKC-OAHLLOKOSA-N 1 3 332.448 1.253 20 0 EDADHO CN(C)[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168844 319396728 /nfs/dbraw/zinc/39/67/28/319396728.db2.gz ARGSXMDYHMKBDG-IBGZPJMESA-N 1 3 346.519 1.822 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000246167919 443274569 /nfs/dbraw/zinc/27/45/69/443274569.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 1 3 341.544 1.290 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000246167919 443274575 /nfs/dbraw/zinc/27/45/75/443274575.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 1 3 341.544 1.290 20 0 EDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000269308589 443276438 /nfs/dbraw/zinc/27/64/38/443276438.db2.gz VBOIKGYKPVZZQP-KRWDZBQOSA-N 1 3 332.448 1.146 20 0 EDADHO C[N@H+]1CCCN(c2ccc(NC(=O)C[C@H]3CNCCO3)cc2)CC1 ZINC000269308589 443276441 /nfs/dbraw/zinc/27/64/41/443276441.db2.gz VBOIKGYKPVZZQP-KRWDZBQOSA-N 1 3 332.448 1.146 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000269279558 443263892 /nfs/dbraw/zinc/26/38/92/443263892.db2.gz ZJSQHOCIZLIKBT-DLBZAZTESA-N 1 3 333.476 1.803 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280028 443265348 /nfs/dbraw/zinc/26/53/48/443265348.db2.gz DWIKYIWFTRGEAH-HXUWFJFHSA-N 1 3 344.503 1.440 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000416801912 319460891 /nfs/dbraw/zinc/46/08/91/319460891.db2.gz HGAWVYAWFFTSQV-SFHVURJKSA-N 1 3 348.491 1.829 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCCCO)CC1 ZINC000266938030 443296102 /nfs/dbraw/zinc/29/61/02/443296102.db2.gz QNWJZZVJLMPPEG-UHFFFAOYSA-N 1 3 335.492 1.912 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174553 443368308 /nfs/dbraw/zinc/36/83/08/443368308.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 1 3 333.476 1.468 20 0 EDADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174553 443368311 /nfs/dbraw/zinc/36/83/11/443368311.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 1 3 333.476 1.468 20 0 EDADHO COC(=O)c1cccc(OCCN2CCC(OCCC[NH3+])CC2)c1 ZINC000420290198 319608907 /nfs/dbraw/zinc/60/89/07/319608907.db2.gz LNANABTVWNRLCC-UHFFFAOYSA-N 1 3 336.432 1.682 20 0 EDADHO C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000423359412 319766339 /nfs/dbraw/zinc/76/63/39/319766339.db2.gz PDPYQCGWASSRKU-LSDHHAIUSA-N 1 3 333.480 1.727 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H](N)CC2CCCCC2)CC1 ZINC000423403552 319771534 /nfs/dbraw/zinc/77/15/34/319771534.db2.gz YKIGKKRMLWDKSQ-QGZVFWFLSA-N 1 3 325.497 1.901 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449385003 320186092 /nfs/dbraw/zinc/18/60/92/320186092.db2.gz DDCIPMBEEDRGOD-GOSISDBHSA-N 1 3 329.448 1.512 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000457771305 320335639 /nfs/dbraw/zinc/33/56/39/320335639.db2.gz IISOXGRRECPYSI-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000286302923 443686552 /nfs/dbraw/zinc/68/65/52/443686552.db2.gz XMPGBCKOEVDLII-HLIPFELVSA-N 1 3 344.503 1.701 20 0 EDADHO Cc1cc2ccccc2n1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531357245 320656896 /nfs/dbraw/zinc/65/68/96/320656896.db2.gz HEMXHCZMRHFLQL-UHFFFAOYSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H](NC(=O)CN(C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169487 444068142 /nfs/dbraw/zinc/06/81/42/444068142.db2.gz FFURUORGTKFJHI-OAHLLOKOSA-N 1 3 340.537 1.741 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000562770796 321076237 /nfs/dbraw/zinc/07/62/37/321076237.db2.gz OBSRPEVEHUVBAQ-UHFFFAOYSA-N 1 3 347.507 1.945 20 0 EDADHO C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1CN)C[NH+]1CCCC1 ZINC000563093147 321094834 /nfs/dbraw/zinc/09/48/34/321094834.db2.gz WPDYPQVTYQXOIZ-CRAIPNDOSA-N 1 3 330.476 1.986 20 0 EDADHO CCCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099954 321095439 /nfs/dbraw/zinc/09/54/39/321095439.db2.gz ILJAGAYUJHVMMU-MSOLQXFVSA-N 1 3 330.476 1.894 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000563961334 321118167 /nfs/dbraw/zinc/11/81/67/321118167.db2.gz ZOOFNJGWOFCQBC-NZSAHSFTSA-N 1 3 347.503 1.810 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)[C@H](C)C1 ZINC000563961334 321118168 /nfs/dbraw/zinc/11/81/68/321118168.db2.gz ZOOFNJGWOFCQBC-NZSAHSFTSA-N 1 3 347.503 1.810 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)COCc2ccccc2)CCCO1 ZINC000564863304 321152892 /nfs/dbraw/zinc/15/28/92/321152892.db2.gz IKYKFVVJCRQRCH-PKOBYXMFSA-N 1 3 336.476 1.655 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)COCc2ccccc2)CCCO1 ZINC000564863304 321152894 /nfs/dbraw/zinc/15/28/94/321152894.db2.gz IKYKFVVJCRQRCH-PKOBYXMFSA-N 1 3 336.476 1.655 20 0 EDADHO CN(C)CCn1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)n1 ZINC000565190265 321175810 /nfs/dbraw/zinc/17/58/10/321175810.db2.gz KXSHEWPLSKJNMW-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO CC[C@@H](CCO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566440468 321230632 /nfs/dbraw/zinc/23/06/32/321230632.db2.gz INRVFLDDDHJAHU-INIZCTEOSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000568231759 321283540 /nfs/dbraw/zinc/28/35/40/321283540.db2.gz JNQOWQKVBCDAQX-AHCXZYCDSA-N 1 3 330.476 1.947 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000568288024 321286080 /nfs/dbraw/zinc/28/60/80/321286080.db2.gz SBQJQAGSQMTFKZ-LJQANCHMSA-N 1 3 344.503 1.944 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCC3(CO)CC3)CC2)CC1 ZINC000568881216 321309681 /nfs/dbraw/zinc/30/96/81/321309681.db2.gz MJVOBCHEJGVMGN-UHFFFAOYSA-N 1 3 337.508 1.462 20 0 EDADHO CC[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000569927877 321332259 /nfs/dbraw/zinc/33/22/59/321332259.db2.gz OQVIIXCCVBISDG-RBSFLKMASA-N 1 3 340.512 1.245 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)NC1CC[NH2+]CC1 ZINC000570066355 321336246 /nfs/dbraw/zinc/33/62/46/321336246.db2.gz MYHDTPDDKAMSKC-SFHVURJKSA-N 1 3 346.475 1.329 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570817194 321360268 /nfs/dbraw/zinc/36/02/68/321360268.db2.gz GNYDVULKGZZAFE-PIIMJCKOSA-N 1 3 343.475 1.547 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@H+](C)CCCN1CCCC1 ZINC000289388788 444126960 /nfs/dbraw/zinc/12/69/60/444126960.db2.gz MGJDJZZWMNPWKD-UHFFFAOYSA-N 1 3 328.460 1.963 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)CCCN1CCCC1 ZINC000289388788 444126965 /nfs/dbraw/zinc/12/69/65/444126965.db2.gz MGJDJZZWMNPWKD-UHFFFAOYSA-N 1 3 328.460 1.963 20 0 EDADHO C[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CCC[NH2+]1 ZINC000305217106 444265890 /nfs/dbraw/zinc/26/58/90/444265890.db2.gz RQVXZIGISLTQBL-IBGZPJMESA-N 1 3 331.460 1.402 20 0 EDADHO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000290050035 444235779 /nfs/dbraw/zinc/23/57/79/444235779.db2.gz BYZJUCSDRDNUQP-OAHLLOKOSA-N 1 3 346.479 1.917 20 0 EDADHO C[N@H+]1CC=C(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796305 444324461 /nfs/dbraw/zinc/32/44/61/444324461.db2.gz VCIJFYCCKHEGMP-QGZVFWFLSA-N 1 3 335.473 1.563 20 0 EDADHO C[N@@H+]1CC=C(CN[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796305 444324462 /nfs/dbraw/zinc/32/44/62/444324462.db2.gz VCIJFYCCKHEGMP-QGZVFWFLSA-N 1 3 335.473 1.563 20 0 EDADHO COCC1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000311100695 444292671 /nfs/dbraw/zinc/29/26/71/444292671.db2.gz KCSBCMDDJMWXME-GOSISDBHSA-N 1 3 345.487 1.736 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000579580579 321949565 /nfs/dbraw/zinc/94/95/65/321949565.db2.gz DGAODQULYAXOIP-ZOBUZTSGSA-N 1 3 337.489 1.557 20 0 EDADHO NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CNC3CC3)cc2)CC1 ZINC000579834350 321976364 /nfs/dbraw/zinc/97/63/64/321976364.db2.gz XEOWPRNKJJBTBT-UHFFFAOYSA-N 1 3 344.459 1.117 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048501 444499281 /nfs/dbraw/zinc/49/92/81/444499281.db2.gz FIFMWBMJMLYOCY-HKUYNNGSSA-N 1 3 338.540 1.641 20 0 EDADHO CN1CC[C@](O)(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000580873129 322105881 /nfs/dbraw/zinc/10/58/81/322105881.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 1 3 329.488 1.838 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@@H]21 ZINC000580908331 322111319 /nfs/dbraw/zinc/11/13/19/322111319.db2.gz IOONCURCKOEPJN-IKGGRYGDSA-N 1 3 334.485 1.979 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581069141 322132067 /nfs/dbraw/zinc/13/20/67/322132067.db2.gz BGLNIRGLEMRQNF-KSZLIROESA-N 1 3 328.460 1.642 20 0 EDADHO C[C@H]1CC2(CN1CCn1cnc3ccccc3c1=O)CC[NH2+]CC2 ZINC000581185500 322146181 /nfs/dbraw/zinc/14/61/81/322146181.db2.gz QGIVMOLYMHDLTD-HNNXBMFYSA-N 1 3 326.444 1.861 20 0 EDADHO COC(=O)c1cn([C@@H]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000582008551 322244744 /nfs/dbraw/zinc/24/47/44/322244744.db2.gz RAKIFDZQQWUGAJ-MRXNPFEDSA-N 1 3 341.415 1.157 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000343694893 444526549 /nfs/dbraw/zinc/52/65/49/444526549.db2.gz PXIPCTRDQVKJEG-MRXNPFEDSA-N 1 3 340.512 1.167 20 0 EDADHO C[C@@H]1CN(CCC(=O)N2CCCCC2)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706729 444533542 /nfs/dbraw/zinc/53/35/42/444533542.db2.gz HIQVZOPEUKIXRM-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO C[C@@H]1CN(CCC(=O)N2CCCCC2)CC[N@H+]1C1CCN(C)CC1 ZINC000343706729 444533545 /nfs/dbraw/zinc/53/35/45/444533545.db2.gz HIQVZOPEUKIXRM-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO Cn1cccc1CN[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000338190038 444556321 /nfs/dbraw/zinc/55/63/21/444556321.db2.gz FALSLBJBZFYMPC-GOSISDBHSA-N 1 3 328.460 1.404 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340941644 444587648 /nfs/dbraw/zinc/58/76/48/444587648.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340941644 444587650 /nfs/dbraw/zinc/58/76/50/444587650.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000333251701 444651093 /nfs/dbraw/zinc/65/10/93/444651093.db2.gz GYCZXCYCDUJSRN-RRFJBIMHSA-N 1 3 327.428 1.935 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000333463151 444673850 /nfs/dbraw/zinc/67/38/50/444673850.db2.gz ZKZMUPKVQZUDNZ-RHSMWYFYSA-N 1 3 330.476 1.464 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204605 444728216 /nfs/dbraw/zinc/72/82/16/444728216.db2.gz PWMOMWYKTLZMOE-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)CC[N@H+]1C ZINC000341204605 444728222 /nfs/dbraw/zinc/72/82/22/444728222.db2.gz PWMOMWYKTLZMOE-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043636 444758507 /nfs/dbraw/zinc/75/85/07/444758507.db2.gz PGTWTVUUAXMLCJ-ULQDDVLXSA-N 1 3 338.496 1.148 20 0 EDADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043634 444758625 /nfs/dbraw/zinc/75/86/25/444758625.db2.gz PGTWTVUUAXMLCJ-BBWFWOEESA-N 1 3 338.496 1.148 20 0 EDADHO CN(CCCN(C)[C@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080771 444770276 /nfs/dbraw/zinc/77/02/76/444770276.db2.gz ZKMQRXFRHWPADI-IBGZPJMESA-N 1 3 346.519 1.997 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C(N)=O)cc1 ZINC000344145788 444805970 /nfs/dbraw/zinc/80/59/70/444805970.db2.gz BYYAHWLGGOKQPG-UHFFFAOYSA-N 1 3 332.492 1.635 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341463507 444845050 /nfs/dbraw/zinc/84/50/50/444845050.db2.gz PORDQFFDWHNQAE-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000341463507 444845053 /nfs/dbraw/zinc/84/50/53/444845053.db2.gz PORDQFFDWHNQAE-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO O=C(NCCNc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000344242523 444859486 /nfs/dbraw/zinc/85/94/86/444859486.db2.gz OBQSMHMFNUPNII-GOSISDBHSA-N 1 3 338.455 1.944 20 0 EDADHO O=C(NCCNc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000344242523 444859492 /nfs/dbraw/zinc/85/94/92/444859492.db2.gz OBQSMHMFNUPNII-GOSISDBHSA-N 1 3 338.455 1.944 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)C2(CCO)CCOCC2)CC1 ZINC000337315926 445029551 /nfs/dbraw/zinc/02/95/51/445029551.db2.gz KGLQOXKBEZHATK-UHFFFAOYSA-N 1 3 327.513 1.266 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)C2(CCO)CCOCC2)CC1 ZINC000337315926 445029556 /nfs/dbraw/zinc/02/95/56/445029556.db2.gz KGLQOXKBEZHATK-UHFFFAOYSA-N 1 3 327.513 1.266 20 0 EDADHO CC[NH+](CC)CCOC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000337242937 445000647 /nfs/dbraw/zinc/00/06/47/445000647.db2.gz HALFUNBTFQFVIG-KRWDZBQOSA-N 1 3 327.513 1.530 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@@H](C)O1 ZINC000343243958 445157023 /nfs/dbraw/zinc/15/70/23/445157023.db2.gz GNTBGYCVKSPCBK-UJWQCDCRSA-N 1 3 339.524 1.623 20 0 EDADHO COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000343439708 445222895 /nfs/dbraw/zinc/22/28/95/445222895.db2.gz FUOFNZCEBUVMQR-RHSMWYFYSA-N 1 3 349.450 1.999 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964293 445228886 /nfs/dbraw/zinc/22/88/86/445228886.db2.gz NJNHMZFKRJJRKE-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C1 ZINC000347542814 445242141 /nfs/dbraw/zinc/24/21/41/445242141.db2.gz MOXHEDWQMCYZBH-RBSFLKMASA-N 1 3 328.501 1.323 20 0 EDADHO CN(CCCO)C1CC[NH+](C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343575123 445247427 /nfs/dbraw/zinc/24/74/27/445247427.db2.gz HYIKVYWKTWSKFB-YJBOKZPZSA-N 1 3 336.480 1.276 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951986 445258097 /nfs/dbraw/zinc/25/80/97/445258097.db2.gz JMISKOYNQSQSHY-GJZGRUSLSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347951986 445258100 /nfs/dbraw/zinc/25/81/00/445258100.db2.gz JMISKOYNQSQSHY-GJZGRUSLSA-N 1 3 339.480 1.251 20 0 EDADHO COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000347951986 445258103 /nfs/dbraw/zinc/25/81/03/445258103.db2.gz JMISKOYNQSQSHY-GJZGRUSLSA-N 1 3 339.480 1.251 20 0 EDADHO CCOC(=O)[C@](C)(O)C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348330919 445259564 /nfs/dbraw/zinc/25/95/64/445259564.db2.gz ZEAXUTKXXGFDQJ-JENIJYKNSA-N 1 3 332.444 1.364 20 0 EDADHO CCN(CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123220 445280977 /nfs/dbraw/zinc/28/09/77/445280977.db2.gz DGFFEJVZELZVPV-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1)S(C)(=O)=O ZINC000352543961 445536911 /nfs/dbraw/zinc/53/69/11/445536911.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 1 3 331.526 1.464 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1)S(C)(=O)=O ZINC000352543961 445536913 /nfs/dbraw/zinc/53/69/13/445536913.db2.gz LSNIBNVHTIRIGJ-JKSUJKDBSA-N 1 3 331.526 1.464 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000349405700 445579708 /nfs/dbraw/zinc/57/97/08/445579708.db2.gz AGYBZHIGVLJBGX-MRXNPFEDSA-N 1 3 340.512 1.167 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000353459224 445612122 /nfs/dbraw/zinc/61/21/22/445612122.db2.gz LLHPOAKNLFCDTJ-IRXDYDNUSA-N 1 3 333.480 1.194 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000362936444 445616796 /nfs/dbraw/zinc/61/67/96/445616796.db2.gz VNFKWBXWEPFUHS-UKPHBRMFSA-N 1 3 335.448 1.124 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@@H](O)CN(C)C)cc1 ZINC000362936444 445616799 /nfs/dbraw/zinc/61/67/99/445616799.db2.gz VNFKWBXWEPFUHS-UKPHBRMFSA-N 1 3 335.448 1.124 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363091338 445673561 /nfs/dbraw/zinc/67/35/61/445673561.db2.gz CARUGISSQPQOSZ-CVEARBPZSA-N 1 3 347.459 1.220 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CCN(C)C1)CC(C)C ZINC000358658434 445698060 /nfs/dbraw/zinc/69/80/60/445698060.db2.gz DZIAEKHVNSJGNZ-DOTOQJQBSA-N 1 3 328.501 1.109 20 0 EDADHO CC(C)OCC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000349905075 445717965 /nfs/dbraw/zinc/71/79/65/445717965.db2.gz DOEMMZGDKKDIOB-LJQANCHMSA-N 1 3 341.540 1.653 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CCCOC1 ZINC000358706805 445731167 /nfs/dbraw/zinc/73/11/67/445731167.db2.gz COLYXXDMRVUVES-QGZVFWFLSA-N 1 3 338.496 1.391 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1=CCCOC1 ZINC000358706805 445731173 /nfs/dbraw/zinc/73/11/73/445731173.db2.gz COLYXXDMRVUVES-QGZVFWFLSA-N 1 3 338.496 1.391 20 0 EDADHO CC[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777409 445750677 /nfs/dbraw/zinc/75/06/77/445750677.db2.gz CWUOECLVOUPYST-CVEARBPZSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356378798 445761060 /nfs/dbraw/zinc/76/10/60/445761060.db2.gz BKTFHWRDDGHMBX-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000350071410 445761725 /nfs/dbraw/zinc/76/17/25/445761725.db2.gz GTCFLIVNEVHQQV-MRXNPFEDSA-N 1 3 339.480 1.252 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC000350071410 445761727 /nfs/dbraw/zinc/76/17/27/445761727.db2.gz GTCFLIVNEVHQQV-MRXNPFEDSA-N 1 3 339.480 1.252 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358861259 445816023 /nfs/dbraw/zinc/81/60/23/445816023.db2.gz FRQFKESSELNNEO-QGZVFWFLSA-N 1 3 337.439 1.485 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000582230673 325802917 /nfs/dbraw/zinc/80/29/17/325802917.db2.gz QRFGUXSOJJEPSS-KSZLIROESA-N 1 3 330.476 1.977 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000361790684 445949065 /nfs/dbraw/zinc/94/90/65/445949065.db2.gz VPZZWBWTYAKURL-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)C[C@@H]1C ZINC000361790684 445949072 /nfs/dbraw/zinc/94/90/72/445949072.db2.gz VPZZWBWTYAKURL-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000583025987 325983417 /nfs/dbraw/zinc/98/34/17/325983417.db2.gz JXLJAIBXFWGGRB-WBAXXEDZSA-N 1 3 331.460 1.946 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000583435164 326072171 /nfs/dbraw/zinc/07/21/71/326072171.db2.gz SBZBXJGNKIAKSG-INIZCTEOSA-N 1 3 342.447 1.194 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000583811673 326144951 /nfs/dbraw/zinc/14/49/51/326144951.db2.gz PAJUQGGPZHBQFG-CVEARBPZSA-N 1 3 334.468 1.163 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000583811673 326144954 /nfs/dbraw/zinc/14/49/54/326144954.db2.gz PAJUQGGPZHBQFG-CVEARBPZSA-N 1 3 334.468 1.163 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000584285841 326234889 /nfs/dbraw/zinc/23/48/89/326234889.db2.gz YBWBWUQZVPITRT-BFYDXBDKSA-N 1 3 333.480 1.401 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000373182163 446081302 /nfs/dbraw/zinc/08/13/02/446081302.db2.gz ZQABNHSZIFBCRI-DVOMOZLQSA-N 1 3 325.478 1.611 20 0 EDADHO c1ccc(-c2nnn(CCCCCN3C[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000359270627 446108552 /nfs/dbraw/zinc/10/85/52/446108552.db2.gz FPJSBPLLKHVPBS-IAGOWNOFSA-N 1 3 326.448 1.662 20 0 EDADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@@H]1CCCOC1 ZINC000356904460 446110903 /nfs/dbraw/zinc/11/09/03/446110903.db2.gz TZUKRZJFXAHRNW-UHOSZYNNSA-N 1 3 347.503 1.680 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@H]1N1CCN(C)CC1 ZINC000365277280 446121966 /nfs/dbraw/zinc/12/19/66/446121966.db2.gz TTXRBPAEJZNDPZ-BRWVUGGUSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@H]1N1CCN(C)CC1 ZINC000365277280 446121975 /nfs/dbraw/zinc/12/19/75/446121975.db2.gz TTXRBPAEJZNDPZ-BRWVUGGUSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(OCCN(C)C)cc1 ZINC000361983312 446127685 /nfs/dbraw/zinc/12/76/85/446127685.db2.gz UEOVAHPCCLMLJE-HNNXBMFYSA-N 1 3 329.448 2.180 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000366327169 446154356 /nfs/dbraw/zinc/15/43/56/446154356.db2.gz SPVGPRAREPVBSH-FGTMMUONSA-N 1 3 330.476 1.927 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CN1C1CC1 ZINC000370323248 446230707 /nfs/dbraw/zinc/23/07/07/446230707.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CN1C1CC1 ZINC000370323248 446230708 /nfs/dbraw/zinc/23/07/08/446230708.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498339 446231797 /nfs/dbraw/zinc/23/17/97/446231797.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000365498339 446231800 /nfs/dbraw/zinc/23/18/00/446231800.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000365602819 446270316 /nfs/dbraw/zinc/27/03/16/446270316.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000365602819 446270319 /nfs/dbraw/zinc/27/03/19/446270319.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 1 3 343.487 1.552 20 0 EDADHO CCO[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]1SC ZINC000362301331 446311612 /nfs/dbraw/zinc/31/16/12/446311612.db2.gz ZIDXAZZBEOONHA-LLLHUVSDSA-N 1 3 328.522 1.986 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541626 446324507 /nfs/dbraw/zinc/32/45/07/446324507.db2.gz HZNVHCHHIQYHMI-DOTOQJQBSA-N 1 3 331.460 1.870 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541626 446324510 /nfs/dbraw/zinc/32/45/10/446324510.db2.gz HZNVHCHHIQYHMI-DOTOQJQBSA-N 1 3 331.460 1.870 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)ccn1 ZINC000417949411 446396190 /nfs/dbraw/zinc/39/61/90/446396190.db2.gz KDWFZFMLADUAKE-INIZCTEOSA-N 1 3 349.479 1.339 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000420252955 446433700 /nfs/dbraw/zinc/43/37/00/446433700.db2.gz CMXLTOULWDCONL-AWEZNQCLSA-N 1 3 347.511 1.762 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148204 446442120 /nfs/dbraw/zinc/44/21/20/446442120.db2.gz REGIFVNRGOZTPI-WMZOPIPTSA-N 1 3 330.476 1.806 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019764 446417678 /nfs/dbraw/zinc/41/76/78/446417678.db2.gz YHELSMFCLIQYHS-BGTYHANMSA-N 1 3 328.460 1.368 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418190875 446454114 /nfs/dbraw/zinc/45/41/14/446454114.db2.gz KAGJUROGHLKRLV-GOEBONIOSA-N 1 3 349.479 1.339 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CCN(C)CC1 ZINC000418193949 446455421 /nfs/dbraw/zinc/45/54/21/446455421.db2.gz CVIZGJKDDUZAOZ-AWEZNQCLSA-N 1 3 328.526 1.584 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420295517 446456995 /nfs/dbraw/zinc/45/69/95/446456995.db2.gz PKSANHWWIHBONK-KBPBESRZSA-N 1 3 347.459 1.537 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418208460 446458357 /nfs/dbraw/zinc/45/83/57/446458357.db2.gz QLJBWAIXSLNCQH-RDJZCZTQSA-N 1 3 334.464 1.819 20 0 EDADHO CSc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)N(C)C)cc1 ZINC000418227922 446465176 /nfs/dbraw/zinc/46/51/76/446465176.db2.gz DDKYEKVNFCRLER-MAZHCROVSA-N 1 3 336.505 2.000 20 0 EDADHO [NH3+]CCCn1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)nn1 ZINC000423298517 446477421 /nfs/dbraw/zinc/47/74/21/446477421.db2.gz AJDUPGDSHXWFEK-KRWDZBQOSA-N 1 3 342.447 1.194 20 0 EDADHO C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CCCCCC1 ZINC000432547329 446484993 /nfs/dbraw/zinc/48/49/93/446484993.db2.gz SXEKYHYHUBOVCJ-SJORKVTESA-N 1 3 325.497 1.868 20 0 EDADHO C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)N1CCCCCC1 ZINC000432547329 446485001 /nfs/dbraw/zinc/48/50/01/446485001.db2.gz SXEKYHYHUBOVCJ-SJORKVTESA-N 1 3 325.497 1.868 20 0 EDADHO COc1cccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331179 446501142 /nfs/dbraw/zinc/50/11/42/446501142.db2.gz BSHQIUVPENEEOG-QZTJIDSGSA-N 1 3 345.487 1.975 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423391261 446514084 /nfs/dbraw/zinc/51/40/84/446514084.db2.gz NLGOZEINZISLGO-GJZGRUSLSA-N 1 3 333.480 1.443 20 0 EDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@@H]1CCCN1CCCO ZINC000418487434 446562341 /nfs/dbraw/zinc/56/23/41/446562341.db2.gz ILFDECURVDRWAC-YKDOHLLJSA-N 1 3 338.496 1.038 20 0 EDADHO O=C(NCC1C[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000418488586 446562743 /nfs/dbraw/zinc/56/27/43/446562743.db2.gz MWZMDZXUODEFMU-FQEVSTJZSA-N 1 3 342.487 1.904 20 0 EDADHO CC(=O)c1ccccc1OCCN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388667 446563369 /nfs/dbraw/zinc/56/33/69/446563369.db2.gz MCHMSDMRHFOFOE-MSOLQXFVSA-N 1 3 344.455 1.968 20 0 EDADHO Cc1ccc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346088 446518618 /nfs/dbraw/zinc/51/86/18/446518618.db2.gz XJYNSEFNMCLGIN-HOTGVXAUSA-N 1 3 326.444 1.824 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](N)CC2CCCCC2)CC1 ZINC000423404641 446520307 /nfs/dbraw/zinc/52/03/07/446520307.db2.gz ZYYQLVWWGKERRY-YJBOKZPZSA-N 1 3 339.524 1.835 20 0 EDADHO N[C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423409285 446522198 /nfs/dbraw/zinc/52/21/98/446522198.db2.gz BPBKBMDFHVIVEW-SJLPKXTDSA-N 1 3 337.508 1.901 20 0 EDADHO Fc1cc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000420347540 446523228 /nfs/dbraw/zinc/52/32/28/446523228.db2.gz HGZPNVIFZLCYHY-ZDUSSCGKSA-N 1 3 327.831 1.837 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428238 446532201 /nfs/dbraw/zinc/53/22/01/446532201.db2.gz OENAXCHGGMSSSN-LSDHHAIUSA-N 1 3 333.480 1.871 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1Cc1ccccc1 ZINC000423434985 446535713 /nfs/dbraw/zinc/53/57/13/446535713.db2.gz KZIUAIJSNHUNLW-GDBMZVCRSA-N 1 3 342.447 1.020 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358511 446538655 /nfs/dbraw/zinc/53/86/55/446538655.db2.gz JGWMPKZFGDQIGO-HZPDHXFCSA-N 1 3 341.459 1.989 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358511 446538659 /nfs/dbraw/zinc/53/86/59/446538659.db2.gz JGWMPKZFGDQIGO-HZPDHXFCSA-N 1 3 341.459 1.989 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358511 446538665 /nfs/dbraw/zinc/53/86/65/446538665.db2.gz JGWMPKZFGDQIGO-HZPDHXFCSA-N 1 3 341.459 1.989 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCn1cc(Br)ccc1=O ZINC000453246915 446551299 /nfs/dbraw/zinc/55/12/99/446551299.db2.gz JVYBHULXDAIXTB-WCQYABFASA-N 1 3 328.254 1.541 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCn1cc(Br)ccc1=O ZINC000453246915 446551301 /nfs/dbraw/zinc/55/13/01/446551301.db2.gz JVYBHULXDAIXTB-WCQYABFASA-N 1 3 328.254 1.541 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000367627971 446569086 /nfs/dbraw/zinc/56/90/86/446569086.db2.gz HBCHCMCVYKVQPV-LSTDLKDCSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000418529366 446582325 /nfs/dbraw/zinc/58/23/25/446582325.db2.gz TXLSHLNHTNROOI-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418582777 446602125 /nfs/dbraw/zinc/60/21/25/446602125.db2.gz VUFVEXAOIJGBIG-YOEHRIQHSA-N 1 3 336.455 1.897 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420465834 446642646 /nfs/dbraw/zinc/64/26/46/446642646.db2.gz QMPJIVKDUMTKSA-OAHLLOKOSA-N 1 3 325.478 1.415 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000418683883 446647343 /nfs/dbraw/zinc/64/73/43/446647343.db2.gz GNMSXHHIQLBABP-OAHLLOKOSA-N 1 3 336.480 1.896 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418727537 446656054 /nfs/dbraw/zinc/65/60/54/446656054.db2.gz MJODCJVMUGJYMD-AEFFLSMTSA-N 1 3 334.464 1.002 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418749246 446669115 /nfs/dbraw/zinc/66/91/15/446669115.db2.gz MDEQNNUPYUHPSV-CQSZACIVSA-N 1 3 330.423 1.501 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751843 446671837 /nfs/dbraw/zinc/67/18/37/446671837.db2.gz RZIUOLRBAKZKQX-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2C[C@H](F)CN2)cc1 ZINC000368155562 446674610 /nfs/dbraw/zinc/67/46/10/446674610.db2.gz OXHPGGSFFIORMF-HOTGVXAUSA-N 1 3 337.439 1.837 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418628076 446622112 /nfs/dbraw/zinc/62/21/12/446622112.db2.gz OMPUIVGKZYQCTB-QFBILLFUSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418644949 446630529 /nfs/dbraw/zinc/63/05/29/446630529.db2.gz VOBNHTZCRGXJLG-UWWQBHOKSA-N 1 3 328.460 1.752 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418644949 446630534 /nfs/dbraw/zinc/63/05/34/446630534.db2.gz VOBNHTZCRGXJLG-UWWQBHOKSA-N 1 3 328.460 1.752 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000423757969 446687604 /nfs/dbraw/zinc/68/76/04/446687604.db2.gz NFXSIDFNYCAQII-MOPGFXCFSA-N 1 3 344.503 1.357 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000423757969 446687607 /nfs/dbraw/zinc/68/76/07/446687607.db2.gz NFXSIDFNYCAQII-MOPGFXCFSA-N 1 3 344.503 1.357 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418781851 446699933 /nfs/dbraw/zinc/69/99/33/446699933.db2.gz DLCQXOALXSPFPN-KGLIPLIRSA-N 1 3 333.436 1.049 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000376764320 446706809 /nfs/dbraw/zinc/70/68/09/446706809.db2.gz LEIIUXSHVSBWIX-QGZVFWFLSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@H](NC(=O)[C@H](N)C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886039 446744156 /nfs/dbraw/zinc/74/41/56/446744156.db2.gz ZOYNIUBHPPXDHZ-KFKAGJAMSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](NC(=O)[C@H](N)C1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886039 446744159 /nfs/dbraw/zinc/74/41/59/446744159.db2.gz ZOYNIUBHPPXDHZ-KFKAGJAMSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)N1CCCCCC1 ZINC000424007930 446820486 /nfs/dbraw/zinc/82/04/86/446820486.db2.gz GYWRECQRQQKSGW-NJAFHUGGSA-N 1 3 337.508 1.996 20 0 EDADHO COC(=O)[C@@]1(C)CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000412059850 446820880 /nfs/dbraw/zinc/82/08/80/446820880.db2.gz DCICXYAYWQEWJE-SFHVURJKSA-N 1 3 325.497 1.678 20 0 EDADHO COC(=O)[C@@]1(C)CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000412059850 446820884 /nfs/dbraw/zinc/82/08/84/446820884.db2.gz DCICXYAYWQEWJE-SFHVURJKSA-N 1 3 325.497 1.678 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000419018007 446869624 /nfs/dbraw/zinc/86/96/24/446869624.db2.gz BICLFGVWELMAPM-GJZGRUSLSA-N 1 3 340.512 1.103 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCCC[C@@H]1CC ZINC000419079752 446909907 /nfs/dbraw/zinc/90/99/07/446909907.db2.gz NTJPHLSFEAYTRS-CABCVRRESA-N 1 3 326.485 1.001 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000371522470 446912228 /nfs/dbraw/zinc/91/22/28/446912228.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000371522470 446912235 /nfs/dbraw/zinc/91/22/35/446912235.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082686 446912675 /nfs/dbraw/zinc/91/26/75/446912675.db2.gz UUYPPIFZSWBSHX-AWEZNQCLSA-N 1 3 326.485 1.001 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634261 446939824 /nfs/dbraw/zinc/93/98/24/446939824.db2.gz HIRRKARDPHQBKY-QLCXLMDBSA-N 1 3 335.492 1.382 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574409 446952317 /nfs/dbraw/zinc/95/23/17/446952317.db2.gz BBYISYLETMWAHU-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419175783 446991333 /nfs/dbraw/zinc/99/13/33/446991333.db2.gz YCDLVJQXPADMIS-JKSUJKDBSA-N 1 3 338.496 1.097 20 0 EDADHO CCOc1ccc(OCCNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058186 446999411 /nfs/dbraw/zinc/99/94/11/446999411.db2.gz JRNXXXQNQBGKFC-MRXNPFEDSA-N 1 3 349.475 1.641 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000372426459 447056340 /nfs/dbraw/zinc/05/63/40/447056340.db2.gz VXDILTBXZTUCNH-XHSDSOJGSA-N 1 3 333.480 1.480 20 0 EDADHO CCc1nc(CN2C[C@H]3CN(CC[C@@H]4CCC[N@H+]4C)C[C@H]3C2)no1 ZINC000372426459 447056347 /nfs/dbraw/zinc/05/63/47/447056347.db2.gz VXDILTBXZTUCNH-XHSDSOJGSA-N 1 3 333.480 1.480 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375802677 447063555 /nfs/dbraw/zinc/06/35/55/447063555.db2.gz VQCDYMUFKJFVSS-RCCFBDPRSA-N 1 3 331.460 1.887 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375802677 447063558 /nfs/dbraw/zinc/06/35/58/447063558.db2.gz VQCDYMUFKJFVSS-RCCFBDPRSA-N 1 3 331.460 1.887 20 0 EDADHO CN(CCC1CCN(C2CC[NH+](C)CC2)CC1)CCS(C)(=O)=O ZINC000377267464 447028645 /nfs/dbraw/zinc/02/86/45/447028645.db2.gz PRHIKMSGLROZCJ-UHFFFAOYSA-N 1 3 345.553 1.159 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CCS(C)(=O)=O ZINC000377267464 447028650 /nfs/dbraw/zinc/02/86/50/447028650.db2.gz PRHIKMSGLROZCJ-UHFFFAOYSA-N 1 3 345.553 1.159 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000377389473 447105816 /nfs/dbraw/zinc/10/58/16/447105816.db2.gz HDECVILDGSPMJR-BPUTZDHNSA-N 1 3 329.448 1.350 20 0 EDADHO O=C1CCC(=O)N1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377338450 447075485 /nfs/dbraw/zinc/07/54/85/447075485.db2.gz XURHTPBRWKBKTL-ROUUACIJSA-N 1 3 341.455 1.589 20 0 EDADHO O=C1CCC(=O)N1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000377338450 447075490 /nfs/dbraw/zinc/07/54/90/447075490.db2.gz XURHTPBRWKBKTL-ROUUACIJSA-N 1 3 341.455 1.589 20 0 EDADHO C[C@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494787 447089615 /nfs/dbraw/zinc/08/96/15/447089615.db2.gz KKBLBMVESCGIOE-MRXNPFEDSA-N 1 3 325.497 1.556 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375977112 447186577 /nfs/dbraw/zinc/18/65/77/447186577.db2.gz RIMCKEZAFPOZAE-ICSRJNTNSA-N 1 3 343.471 1.259 20 0 EDADHO O=C1NCCN1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377547093 447194476 /nfs/dbraw/zinc/19/44/76/447194476.db2.gz ZKJTWNRVKQAVIG-UHFFFAOYSA-N 1 3 342.487 2.000 20 0 EDADHO O=C1NCCN1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377547093 447194485 /nfs/dbraw/zinc/19/44/85/447194485.db2.gz ZKJTWNRVKQAVIG-UHFFFAOYSA-N 1 3 342.487 2.000 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426479327 447453424 /nfs/dbraw/zinc/45/34/24/447453424.db2.gz JDSDHUPCUSFWGQ-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458730441 447466038 /nfs/dbraw/zinc/46/60/38/447466038.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458730441 447466043 /nfs/dbraw/zinc/46/60/43/447466043.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 1 3 340.512 1.253 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458782238 447477303 /nfs/dbraw/zinc/47/73/03/447477303.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458782238 447477307 /nfs/dbraw/zinc/47/73/07/447477307.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388545780 447478992 /nfs/dbraw/zinc/47/89/92/447478992.db2.gz VDIDPKGLOZHQRM-GOSISDBHSA-N 1 3 330.476 1.015 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415492021 447475823 /nfs/dbraw/zinc/47/58/23/447475823.db2.gz SWTDZCMDAXNFOS-MRXNPFEDSA-N 1 3 348.491 1.827 20 0 EDADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)C ZINC000457413977 447576192 /nfs/dbraw/zinc/57/61/92/447576192.db2.gz BCNVTQHDXGEZPT-MRXNPFEDSA-N 1 3 328.501 1.251 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000416826478 447692529 /nfs/dbraw/zinc/69/25/29/447692529.db2.gz BSCMSXUDWSJGSA-OTWHNJEPSA-N 1 3 344.503 1.800 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457997491 447692802 /nfs/dbraw/zinc/69/28/02/447692802.db2.gz ZJFZVUVCRVDROE-MRXNPFEDSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457997491 447692805 /nfs/dbraw/zinc/69/28/05/447692805.db2.gz ZJFZVUVCRVDROE-MRXNPFEDSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000416885482 447701911 /nfs/dbraw/zinc/70/19/11/447701911.db2.gz LUJGLXXXMQWPKA-HDICACEKSA-N 1 3 330.476 1.889 20 0 EDADHO O[C@@]1(C[NH2+]C2CCN(C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000459419417 447659113 /nfs/dbraw/zinc/65/91/13/447659113.db2.gz AMRBCDCTRDJZEN-HXUWFJFHSA-N 1 3 329.488 1.840 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000457909034 447669240 /nfs/dbraw/zinc/66/92/40/447669240.db2.gz ZAQMAKWUQJIRFL-INIZCTEOSA-N 1 3 340.512 1.395 20 0 EDADHO COc1ccc(OC)c(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422765227 447744750 /nfs/dbraw/zinc/74/47/50/447744750.db2.gz QQRCDQOJGQJRRM-FGTMMUONSA-N 1 3 334.460 1.993 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422792183 447751020 /nfs/dbraw/zinc/75/10/20/447751020.db2.gz QXSAGPJINUDPNU-MSOLQXFVSA-N 1 3 338.540 1.293 20 0 EDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422825347 447761536 /nfs/dbraw/zinc/76/15/36/447761536.db2.gz JOPIBZFALLOTFS-SJORKVTESA-N 1 3 332.496 1.238 20 0 EDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCCN1CCN(c2ncccn2)CC1 ZINC000422825347 447761540 /nfs/dbraw/zinc/76/15/40/447761540.db2.gz JOPIBZFALLOTFS-SJORKVTESA-N 1 3 332.496 1.238 20 0 EDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843042 447766570 /nfs/dbraw/zinc/76/65/70/447766570.db2.gz GUHQENSVZDSCSA-IRXDYDNUSA-N 1 3 345.491 1.227 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843042 447766575 /nfs/dbraw/zinc/76/65/75/447766575.db2.gz GUHQENSVZDSCSA-IRXDYDNUSA-N 1 3 345.491 1.227 20 0 EDADHO CCN1CCN(Cc2ccc(N[C@@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923617 447773463 /nfs/dbraw/zinc/77/34/63/447773463.db2.gz SBQWCZCCZALREB-IBGZPJMESA-N 1 3 334.508 1.990 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927332 447774025 /nfs/dbraw/zinc/77/40/25/447774025.db2.gz GBYJBDSHEQEFGS-NJZAAPMLSA-N 1 3 340.851 1.996 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927332 447774028 /nfs/dbraw/zinc/77/40/28/447774028.db2.gz GBYJBDSHEQEFGS-NJZAAPMLSA-N 1 3 340.851 1.996 20 0 EDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422946985 447777942 /nfs/dbraw/zinc/77/79/42/447777942.db2.gz XNOTVEIJTOIFRO-UHTWSYAYSA-N 1 3 329.238 1.658 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471657899 447808636 /nfs/dbraw/zinc/80/86/36/447808636.db2.gz JCYQVNQLAXTHHM-MRXNPFEDSA-N 1 3 328.501 1.232 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCOCCN(C)C)C1 ZINC000471657899 447808638 /nfs/dbraw/zinc/80/86/38/447808638.db2.gz JCYQVNQLAXTHHM-MRXNPFEDSA-N 1 3 328.501 1.232 20 0 EDADHO C[C@@H]1CC(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000549226142 447868366 /nfs/dbraw/zinc/86/83/66/447868366.db2.gz GSNNKEBDDSBOIJ-HZPDHXFCSA-N 1 3 342.528 1.715 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2 ZINC000576374212 448041079 /nfs/dbraw/zinc/04/10/79/448041079.db2.gz SFPMHGHLLOPTRC-UHFFFAOYSA-N 1 3 347.507 1.680 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576451151 448057855 /nfs/dbraw/zinc/05/78/55/448057855.db2.gz OJZULJWCDSIVGZ-FZCLSBEQSA-N 1 3 330.476 1.804 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482902 448091090 /nfs/dbraw/zinc/09/10/90/448091090.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482902 448091095 /nfs/dbraw/zinc/09/10/95/448091095.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482901 448091185 /nfs/dbraw/zinc/09/11/85/448091185.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 1 3 343.471 1.365 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000531482901 448091192 /nfs/dbraw/zinc/09/11/92/448091192.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 1 3 343.471 1.365 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000570784414 448063198 /nfs/dbraw/zinc/06/31/98/448063198.db2.gz DJNXYZZFGKXMSJ-FGTMMUONSA-N 1 3 346.475 1.234 20 0 EDADHO CN(C[C@H](O)C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000571315363 448135742 /nfs/dbraw/zinc/13/57/42/448135742.db2.gz GQJBULYAUSAFOA-AVVWSFFYSA-N 1 3 349.441 1.836 20 0 EDADHO CC1(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000571640990 448185164 /nfs/dbraw/zinc/18/51/64/448185164.db2.gz WLSIFGAVECCMFL-QGZVFWFLSA-N 1 3 330.476 1.800 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000571766181 448203262 /nfs/dbraw/zinc/20/32/62/448203262.db2.gz CZOYVEGWVMBTJO-IBGZPJMESA-N 1 3 348.491 1.528 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CCN1Cc1ccccc1 ZINC000571777534 448205763 /nfs/dbraw/zinc/20/57/63/448205763.db2.gz VTCWLDZVYKZPNB-BPQIPLTHSA-N 1 3 346.475 1.327 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](O)C3(C)C)CC2)CC1 ZINC000582430310 448237220 /nfs/dbraw/zinc/23/72/20/448237220.db2.gz UMDMBJZTIDVEAT-KRWDZBQOSA-N 1 3 337.508 1.555 20 0 EDADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)NC1C[NH2+]C1 ZINC000577475409 448306243 /nfs/dbraw/zinc/30/62/43/448306243.db2.gz XEKKHOYCXQLZJP-KRWDZBQOSA-N 1 3 330.476 1.730 20 0 EDADHO Cc1ncccc1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000527725375 448345798 /nfs/dbraw/zinc/34/57/98/448345798.db2.gz LDSBUZIUELIZFY-UHFFFAOYSA-N 1 3 345.491 1.748 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394510 448367606 /nfs/dbraw/zinc/36/76/06/448367606.db2.gz FKLVIJUHCFVKJK-ZACQAIPSSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)C[C@@H](C)O1 ZINC000572394510 448367609 /nfs/dbraw/zinc/36/76/09/448367609.db2.gz FKLVIJUHCFVKJK-ZACQAIPSSA-N 1 3 327.513 1.168 20 0 EDADHO Cn1cc(-c2nc(CNC3CCN(CC[NH+](C)C)CC3)cs2)cn1 ZINC000527636374 448328338 /nfs/dbraw/zinc/32/83/38/448328338.db2.gz NPILQCBBNDSBEQ-UHFFFAOYSA-N 1 3 348.520 1.659 20 0 EDADHO CN(C)CC[NH+]1CCC(NCc2csc(-c3cnn(C)c3)n2)CC1 ZINC000527636374 448328347 /nfs/dbraw/zinc/32/83/47/448328347.db2.gz NPILQCBBNDSBEQ-UHFFFAOYSA-N 1 3 348.520 1.659 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC(C)(C)C[NH+]3CCCC3)n2)CC1 ZINC000564708546 448336029 /nfs/dbraw/zinc/33/60/29/448336029.db2.gz FXGOFKIXKTZUJE-UHFFFAOYSA-N 1 3 348.495 2.146 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010983 448439145 /nfs/dbraw/zinc/43/91/45/448439145.db2.gz KMDLTOJUENXBTK-CVEARBPZSA-N 1 3 326.529 1.400 20 0 EDADHO CC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000578239627 448496198 /nfs/dbraw/zinc/49/61/98/448496198.db2.gz MBHMLNWJCHLWCK-MRXNPFEDSA-N 1 3 332.448 1.102 20 0 EDADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000567268558 448655057 /nfs/dbraw/zinc/65/50/57/448655057.db2.gz GPYIEVGLGYWJIT-DLBZAZTESA-N 1 3 330.476 1.798 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2c1CCCN2 ZINC000567336945 448667508 /nfs/dbraw/zinc/66/75/08/448667508.db2.gz CJUXABDZUWJWPG-UHFFFAOYSA-N 1 3 347.507 1.680 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567366539 448677919 /nfs/dbraw/zinc/67/79/19/448677919.db2.gz BKUBAIBDMPZSHR-SQNIBIBYSA-N 1 3 332.492 1.135 20 0 EDADHO CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CN2CCC1CC2 ZINC000519116238 448743421 /nfs/dbraw/zinc/74/34/21/448743421.db2.gz XYZSABWNLBFVNK-LJQANCHMSA-N 1 3 327.472 1.987 20 0 EDADHO CN(C(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CN2CCC1CC2 ZINC000519116238 448743424 /nfs/dbraw/zinc/74/34/24/448743424.db2.gz XYZSABWNLBFVNK-LJQANCHMSA-N 1 3 327.472 1.987 20 0 EDADHO O=C(C1CCN(CCN2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000579232514 448748010 /nfs/dbraw/zinc/74/80/10/448748010.db2.gz BVXXVUPUPUIIGQ-UHFFFAOYSA-N 1 3 342.487 1.193 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN(CC)CC3)CC2)CC1 ZINC000579244506 448752089 /nfs/dbraw/zinc/75/20/89/448752089.db2.gz ONPRAPYGTVRWRO-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000579244506 448752091 /nfs/dbraw/zinc/75/20/91/448752091.db2.gz ONPRAPYGTVRWRO-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000567754487 448752238 /nfs/dbraw/zinc/75/22/38/448752238.db2.gz YQWRCGYGPYEVEF-NZSAHSFTSA-N 1 3 344.503 1.943 20 0 EDADHO COC[C@H](C)OC[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000574071283 448786048 /nfs/dbraw/zinc/78/60/48/448786048.db2.gz CQYMOSBPRLMIRE-YJBOKZPZSA-N 1 3 328.497 1.786 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000579463906 448799152 /nfs/dbraw/zinc/79/91/52/448799152.db2.gz QXHMECZLLVTKNZ-HMQBUONMSA-N 1 3 325.497 1.061 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000579463906 448799158 /nfs/dbraw/zinc/79/91/58/448799158.db2.gz QXHMECZLLVTKNZ-HMQBUONMSA-N 1 3 325.497 1.061 20 0 EDADHO CC[NH+]1CCC(NC(=O)NC(C)(C)CCN2CCN(C)CC2)CC1 ZINC000546036903 448816992 /nfs/dbraw/zinc/81/69/92/448816992.db2.gz PPAPRJCJXJYOEW-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254773 448847626 /nfs/dbraw/zinc/84/76/26/448847626.db2.gz NHCGMTPLCMBLKN-ZBFHGGJFSA-N 1 3 337.420 1.656 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492560 448862703 /nfs/dbraw/zinc/86/27/03/448862703.db2.gz AKSDZVNKPJZYHZ-GJZGRUSLSA-N 1 3 336.480 1.466 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCO)C(C)C)CC2)CC1 ZINC000520836339 448936178 /nfs/dbraw/zinc/93/61/78/448936178.db2.gz LTRFXGFNVVFRDP-SFHVURJKSA-N 1 3 339.524 1.706 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529722132 448936375 /nfs/dbraw/zinc/93/63/75/448936375.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529722132 448936382 /nfs/dbraw/zinc/93/63/82/448936382.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 1 3 336.524 1.537 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000574759975 448951520 /nfs/dbraw/zinc/95/15/20/448951520.db2.gz UGXQZUPKBLYXNU-SFHVURJKSA-N 1 3 333.476 1.818 20 0 EDADHO O=C(COC1CC[NH2+]CC1)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000582124604 449018426 /nfs/dbraw/zinc/01/84/26/449018426.db2.gz LKRQUQLVEDGWJX-UHFFFAOYSA-N 1 3 347.459 1.350 20 0 EDADHO CCOC(=O)c1cccc(CN[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000600132965 449207521 /nfs/dbraw/zinc/20/75/21/449207521.db2.gz PSXJSJMZZGYDNT-INIZCTEOSA-N 1 3 346.475 1.516 20 0 EDADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCC2 ZINC000594494492 449556861 /nfs/dbraw/zinc/55/68/61/449556861.db2.gz BYJJREHNXFNZMB-KRWDZBQOSA-N 1 3 332.444 1.897 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCCCCC1=O ZINC000617504669 449651081 /nfs/dbraw/zinc/65/10/81/449651081.db2.gz DWYRWUUNEWXPGL-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCCCCC1=O ZINC000617504669 449651084 /nfs/dbraw/zinc/65/10/84/449651084.db2.gz DWYRWUUNEWXPGL-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO COC(=O)c1csc(CNCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000602551153 449669046 /nfs/dbraw/zinc/66/90/46/449669046.db2.gz NOLZGGSCJNKPOO-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)c1csc(CNCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000602551153 449669049 /nfs/dbraw/zinc/66/90/49/449669049.db2.gz NOLZGGSCJNKPOO-AWEZNQCLSA-N 1 3 326.462 1.861 20 0 EDADHO COC1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCC(F)(F)CC1 ZINC000617502385 449644853 /nfs/dbraw/zinc/64/48/53/449644853.db2.gz NPASBOMTBAZTIX-AWEZNQCLSA-N 1 3 349.466 1.969 20 0 EDADHO COC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCC(F)(F)CC1 ZINC000617502385 449644856 /nfs/dbraw/zinc/64/48/56/449644856.db2.gz NPASBOMTBAZTIX-AWEZNQCLSA-N 1 3 349.466 1.969 20 0 EDADHO COC(=O)[C@](C)(CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000602629512 449717570 /nfs/dbraw/zinc/71/75/70/449717570.db2.gz KPKKKRMPROCFAA-HXUWFJFHSA-N 1 3 348.487 1.942 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC2CCN(CCO)CC2)c1 ZINC000601252826 449774984 /nfs/dbraw/zinc/77/49/84/449774984.db2.gz BGQLGBCDKHIXON-UHFFFAOYSA-N 1 3 334.464 1.004 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601275031 449792740 /nfs/dbraw/zinc/79/27/40/449792740.db2.gz DPTJNWXMXNJRJI-OAHLLOKOSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CCO)CC2)C1 ZINC000601275031 449792747 /nfs/dbraw/zinc/79/27/47/449792747.db2.gz DPTJNWXMXNJRJI-OAHLLOKOSA-N 1 3 340.512 1.253 20 0 EDADHO COc1ccc([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000612861665 449913748 /nfs/dbraw/zinc/91/37/48/449913748.db2.gz AAVVIYDPCFTRCR-IEBWSBKVSA-N 1 3 346.475 1.883 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323432 /nfs/dbraw/zinc/32/34/32/450323432.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 1 3 327.472 1.932 20 0 EDADHO C[N@H+]1C[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323439 /nfs/dbraw/zinc/32/34/39/450323439.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 1 3 327.472 1.932 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000616782380 450483485 /nfs/dbraw/zinc/48/34/85/450483485.db2.gz DEKJEZUWPCLMGN-CAOSSQGBSA-N 1 3 340.512 1.210 20 0 EDADHO CN1CCN(c2ccc(CN[C@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623352610 450502743 /nfs/dbraw/zinc/50/27/43/450502743.db2.gz IGNIIXRPARTISO-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CN1CCN(c2ccc(CN[C@H]3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623352610 450502745 /nfs/dbraw/zinc/50/27/45/450502745.db2.gz IGNIIXRPARTISO-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CN1CCN(c2ccc(C[NH2+][C@H]3CCN(C)C(C)(C)C3)cn2)CC1 ZINC000623352610 450502748 /nfs/dbraw/zinc/50/27/48/450502748.db2.gz IGNIIXRPARTISO-KRWDZBQOSA-N 1 3 331.508 1.796 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCCCC1 ZINC000620486686 450503585 /nfs/dbraw/zinc/50/35/85/450503585.db2.gz LLQUFJWMJDMVMM-QZTJIDSGSA-N 1 3 337.508 1.555 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCCCC1 ZINC000620486686 450503588 /nfs/dbraw/zinc/50/35/88/450503588.db2.gz LLQUFJWMJDMVMM-QZTJIDSGSA-N 1 3 337.508 1.555 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513330 /nfs/dbraw/zinc/51/33/30/450513330.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 1 3 346.519 1.940 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513334 /nfs/dbraw/zinc/51/33/34/450513334.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 1 3 346.519 1.940 20 0 EDADHO CCC1([NH+]2CCOCC2)CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000626089372 450573520 /nfs/dbraw/zinc/57/35/20/450573520.db2.gz NPDONTYIOFGGMX-ROUUACIJSA-N 1 3 339.524 1.672 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2nc(N)nc(N)n2)C1 ZINC000623866030 450619102 /nfs/dbraw/zinc/61/91/02/450619102.db2.gz IUMHTMGDARLELH-STQMWFEESA-N 1 3 341.463 1.209 20 0 EDADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629522116 450725261 /nfs/dbraw/zinc/72/52/61/450725261.db2.gz VJNGZRSBXAHZIX-ZDUSSCGKSA-N 1 3 341.477 1.607 20 0 EDADHO C[C@@H]1[C@H]([NH2+]C[C@H](O)CN2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577784 450746049 /nfs/dbraw/zinc/74/60/49/450746049.db2.gz IYRPXVBMBCXVKX-BPQIPLTHSA-N 1 3 331.460 1.222 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@@H+]1C ZINC000631744493 450746310 /nfs/dbraw/zinc/74/63/10/450746310.db2.gz VIJNFTWYFBJMAN-RRCSTGOVSA-N 1 3 329.510 1.452 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC[N@H+]1C ZINC000631744493 450746314 /nfs/dbraw/zinc/74/63/14/450746314.db2.gz VIJNFTWYFBJMAN-RRCSTGOVSA-N 1 3 329.510 1.452 20 0 EDADHO CN1CCC(Oc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581304 450748139 /nfs/dbraw/zinc/74/81/39/450748139.db2.gz VOJDSPGHKJBZJU-GOSISDBHSA-N 1 3 347.503 1.706 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621783773 450867218 /nfs/dbraw/zinc/86/72/18/450867218.db2.gz GDKNAJHDJLKQEL-YQVWRLOYSA-N 1 3 330.476 1.219 20 0 EDADHO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930471 /nfs/dbraw/zinc/93/04/71/450930471.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 1 3 345.487 1.470 20 0 EDADHO CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930475 /nfs/dbraw/zinc/93/04/75/450930475.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 1 3 345.487 1.470 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccccc1=O ZINC000624650394 450940552 /nfs/dbraw/zinc/94/05/52/450940552.db2.gz XTRPJTWFDPYPBH-KRWDZBQOSA-N 1 3 348.491 1.113 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1ccccc1=O ZINC000624650394 450940556 /nfs/dbraw/zinc/94/05/56/450940556.db2.gz XTRPJTWFDPYPBH-KRWDZBQOSA-N 1 3 348.491 1.113 20 0 EDADHO COCc1sccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000633614906 450944380 /nfs/dbraw/zinc/94/43/80/450944380.db2.gz VWSLCXKTJZEPDT-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO COCc1sccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000633614906 450944384 /nfs/dbraw/zinc/94/43/84/450944384.db2.gz VWSLCXKTJZEPDT-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000627836501 450969581 /nfs/dbraw/zinc/96/95/81/450969581.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 1 3 327.472 1.884 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000627836501 450969587 /nfs/dbraw/zinc/96/95/87/450969587.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 1 3 327.472 1.884 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626890763 450987826 /nfs/dbraw/zinc/98/78/26/450987826.db2.gz SCIBVWIUCMVGEH-DZGCQCFKSA-N 1 3 332.448 1.252 20 0 EDADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034431 451092969 /nfs/dbraw/zinc/09/29/69/451092969.db2.gz GOVWGIHYDHXFMI-KGLIPLIRSA-N 1 3 338.452 1.516 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626980598 451049807 /nfs/dbraw/zinc/04/98/07/451049807.db2.gz UYIACJCQFAZJOC-MRXNPFEDSA-N 1 3 348.491 1.877 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000640340660 451272347 /nfs/dbraw/zinc/27/23/47/451272347.db2.gz HDEHDKQEKJLWMD-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137141 451310173 /nfs/dbraw/zinc/31/01/73/451310173.db2.gz GHOMYWUOMADRAU-INIZCTEOSA-N 1 3 344.503 1.017 20 0 EDADHO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC000635865602 451312219 /nfs/dbraw/zinc/31/22/19/451312219.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CN(C)CC(C)(C)C ZINC000635865602 451312222 /nfs/dbraw/zinc/31/22/22/451312222.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 1 3 325.497 1.676 20 0 EDADHO Cc1cc(CN)oc1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638138676 451314494 /nfs/dbraw/zinc/31/44/94/451314494.db2.gz FREKXMCHGJOBBM-UHFFFAOYSA-N 1 3 348.491 1.727 20 0 EDADHO Cc1cc(CN)oc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000638138676 451314500 /nfs/dbraw/zinc/31/45/00/451314500.db2.gz FREKXMCHGJOBBM-UHFFFAOYSA-N 1 3 348.491 1.727 20 0 EDADHO CCC[C@H](CCO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000636680875 451410777 /nfs/dbraw/zinc/41/07/77/451410777.db2.gz QBWLFMSPSMFHNT-OAHLLOKOSA-N 1 3 340.512 1.395 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636045780 451462566 /nfs/dbraw/zinc/46/25/66/451462566.db2.gz YMVXSWPAZFRRSR-AWEZNQCLSA-N 1 3 335.448 1.916 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636045780 451462570 /nfs/dbraw/zinc/46/25/70/451462570.db2.gz YMVXSWPAZFRRSR-AWEZNQCLSA-N 1 3 335.448 1.916 20 0 EDADHO CN(C)CCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000638410450 451496891 /nfs/dbraw/zinc/49/68/91/451496891.db2.gz BRQVWCABCMYHNA-QZTJIDSGSA-N 1 3 341.459 1.320 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000634724394 451505489 /nfs/dbraw/zinc/50/54/89/451505489.db2.gz PBOYQATWQRYCLS-QRQLOZEOSA-N 1 3 328.460 1.602 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)Cn1cccn1 ZINC000634724394 451505493 /nfs/dbraw/zinc/50/54/93/451505493.db2.gz PBOYQATWQRYCLS-QRQLOZEOSA-N 1 3 328.460 1.602 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)Cn1cccn1 ZINC000634724394 451505494 /nfs/dbraw/zinc/50/54/94/451505494.db2.gz PBOYQATWQRYCLS-QRQLOZEOSA-N 1 3 328.460 1.602 20 0 EDADHO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000638489831 451541937 /nfs/dbraw/zinc/54/19/37/451541937.db2.gz OMAWQQDUXSHYMK-LJQANCHMSA-N 1 3 344.503 1.504 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCCN1 ZINC000638560143 451577098 /nfs/dbraw/zinc/57/70/98/451577098.db2.gz CZZRXNOCZAACGO-BZPMIXESSA-N 1 3 337.386 1.131 20 0 EDADHO CCC[C@@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640836163 451621807 /nfs/dbraw/zinc/62/18/07/451621807.db2.gz BSTYGCJDUNTWQT-NVXWUHKLSA-N 1 3 344.463 1.497 20 0 EDADHO [NH3+]CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634338 451622825 /nfs/dbraw/zinc/62/28/25/451622825.db2.gz ORZBNWSRBOGDDU-INIZCTEOSA-N 1 3 349.450 1.662 20 0 EDADHO C[NH+]1CCC(O)(CNCc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638682600 451651788 /nfs/dbraw/zinc/65/17/88/451651788.db2.gz ZAOJFMOGQGAGCN-UHFFFAOYSA-N 1 3 346.397 1.785 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)n2)CC1 ZINC000632940864 451661432 /nfs/dbraw/zinc/66/14/32/451661432.db2.gz RIQCHTINPTTYBU-AWEZNQCLSA-N 1 3 348.495 2.050 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000638747099 451673771 /nfs/dbraw/zinc/67/37/71/451673771.db2.gz AIIUTYGBBDZMSA-CEXWTWQISA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000638780546 451688883 /nfs/dbraw/zinc/68/88/83/451688883.db2.gz SGEXHNRFEGGXAV-SNRMKQJTSA-N 1 3 345.487 1.940 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1(C)C ZINC000638859168 451713131 /nfs/dbraw/zinc/71/31/31/451713131.db2.gz JSYZBWSLKGKSRS-KXBFYZLASA-N 1 3 337.508 1.996 20 0 EDADHO CC1(C)[C@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860814 451713475 /nfs/dbraw/zinc/71/34/75/451713475.db2.gz GZNRMBHPAWIXCD-GQIGUUNPSA-N 1 3 349.519 1.996 20 0 EDADHO O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1CNCc2ccccc21 ZINC000638985170 451746897 /nfs/dbraw/zinc/74/68/97/451746897.db2.gz BCRFSHCNWLAIAU-QGZVFWFLSA-N 1 3 337.427 1.317 20 0 EDADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638987492 451747720 /nfs/dbraw/zinc/74/77/20/451747720.db2.gz ROADNQPSGHOXOT-IMJJTQAJSA-N 1 3 329.448 1.350 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023106 451753415 /nfs/dbraw/zinc/75/34/15/451753415.db2.gz RSLPLQYTLHLZOB-SQNIBIBYSA-N 1 3 330.476 1.046 20 0 EDADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000646720416 451807876 /nfs/dbraw/zinc/80/78/76/451807876.db2.gz RRGHSOIITDZMOJ-GOSISDBHSA-N 1 3 330.476 1.752 20 0 EDADHO COCCN(C)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646795496 451845466 /nfs/dbraw/zinc/84/54/66/451845466.db2.gz MWTCPQRRXNIPBT-SFHVURJKSA-N 1 3 333.476 1.560 20 0 EDADHO COCCOC1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639492685 451900407 /nfs/dbraw/zinc/90/04/07/451900407.db2.gz ZTNAUXGNZAREIS-HXUWFJFHSA-N 1 3 348.487 1.751 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645154 451904923 /nfs/dbraw/zinc/90/49/23/451904923.db2.gz SPPAXQVCZZDETF-HOTGVXAUSA-N 1 3 338.496 1.016 20 0 EDADHO CN(C)CCN1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644677833 451935147 /nfs/dbraw/zinc/93/51/47/451935147.db2.gz IJGNASFSEYIQRS-UHFFFAOYSA-N 1 3 336.455 1.770 20 0 EDADHO COCCOC1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639492685 451900400 /nfs/dbraw/zinc/90/04/00/451900400.db2.gz ZTNAUXGNZAREIS-HXUWFJFHSA-N 1 3 348.487 1.751 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)[C@H](C)C1 ZINC000639589602 451960974 /nfs/dbraw/zinc/96/09/74/451960974.db2.gz POKRCUPZCBCQOM-NJAFHUGGSA-N 1 3 337.508 1.866 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000649295998 451971117 /nfs/dbraw/zinc/97/11/17/451971117.db2.gz PUCNTUJOINWJAB-YJBOKZPZSA-N 1 3 331.460 1.957 20 0 EDADHO CN(C)[C@@]1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCSC1 ZINC000649296402 451973738 /nfs/dbraw/zinc/97/37/38/451973738.db2.gz ALNVBULUYQYMRY-GOSISDBHSA-N 1 3 347.528 1.861 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649321642 451999483 /nfs/dbraw/zinc/99/94/83/451999483.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 1 3 330.476 1.189 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649321642 451999487 /nfs/dbraw/zinc/99/94/87/451999487.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 1 3 330.476 1.189 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639686905 452022436 /nfs/dbraw/zinc/02/24/36/452022436.db2.gz PJHSOYIUSLSIEU-KRWDZBQOSA-N 1 3 332.496 1.257 20 0 EDADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639686905 452022443 /nfs/dbraw/zinc/02/24/43/452022443.db2.gz PJHSOYIUSLSIEU-KRWDZBQOSA-N 1 3 332.496 1.257 20 0 EDADHO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000647083854 452050677 /nfs/dbraw/zinc/05/06/77/452050677.db2.gz YYBPBJJKTCXAEW-KBPBESRZSA-N 1 3 344.381 1.690 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CNCCOC2)CC1 ZINC000649378551 452052528 /nfs/dbraw/zinc/05/25/28/452052528.db2.gz IVDZSPTXAQEDSU-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CNCCOC2)CC1 ZINC000649378551 452052533 /nfs/dbraw/zinc/05/25/33/452052533.db2.gz IVDZSPTXAQEDSU-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cc(C)n(-c2ccc(CN(C)CCN3CC[NH2+]CC3)cc2)n1 ZINC000649409625 452074493 /nfs/dbraw/zinc/07/44/93/452074493.db2.gz FQWAPGLAUXXCIV-UHFFFAOYSA-N 1 3 327.476 1.826 20 0 EDADHO CN1CCC([NH+]2CCC(NCc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000641712536 452214834 /nfs/dbraw/zinc/21/48/34/452214834.db2.gz KNRIVGLSWVTFQQ-UHFFFAOYSA-N 1 3 343.475 1.917 20 0 EDADHO CCN(CC)CC[C@@H](CO)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000641770379 452244017 /nfs/dbraw/zinc/24/40/17/452244017.db2.gz PJYVSHYBYLHDTO-IBGZPJMESA-N 1 3 334.508 1.728 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC1CCN(Cc2ccccn2)CC1 ZINC000641770379 452244021 /nfs/dbraw/zinc/24/40/21/452244021.db2.gz PJYVSHYBYLHDTO-IBGZPJMESA-N 1 3 334.508 1.728 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641779432 452249352 /nfs/dbraw/zinc/24/93/52/452249352.db2.gz HDOOVYVMZAMSJI-AEFFLSMTSA-N 1 3 328.460 1.753 20 0 EDADHO COc1ccccc1CC(=O)N1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000647550783 452277518 /nfs/dbraw/zinc/27/75/18/452277518.db2.gz GPUSKJYZKXJXGN-MAUKXSAKSA-N 1 3 345.487 1.816 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)N(C)C)cc1 ZINC000638050715 452323513 /nfs/dbraw/zinc/32/35/13/452323513.db2.gz RDLNYBWWWPVWCS-JENIJYKNSA-N 1 3 333.476 1.735 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCCOC1 ZINC000638052285 452328798 /nfs/dbraw/zinc/32/87/98/452328798.db2.gz ZHLIOTRCLLFZMZ-WMLDXEAASA-N 1 3 337.489 1.757 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000665760731 452331279 /nfs/dbraw/zinc/33/12/79/452331279.db2.gz ODEMAXBKARMPAH-QILLFSRXSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000665760731 452331289 /nfs/dbraw/zinc/33/12/89/452331289.db2.gz ODEMAXBKARMPAH-QILLFSRXSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCc2ncsc2C1 ZINC000665761622 452335894 /nfs/dbraw/zinc/33/58/94/452335894.db2.gz KTDZTSVBSHBIHG-ZDUSSCGKSA-N 1 3 339.509 1.483 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCc2ncsc2C1 ZINC000665761622 452335900 /nfs/dbraw/zinc/33/59/00/452335900.db2.gz KTDZTSVBSHBIHG-ZDUSSCGKSA-N 1 3 339.509 1.483 20 0 EDADHO [NH3+]C1(CNC(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000659481289 452341830 /nfs/dbraw/zinc/34/18/30/452341830.db2.gz XGWNWABQZVPWMM-KRWDZBQOSA-N 1 3 346.475 1.324 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN[C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573741 452342851 /nfs/dbraw/zinc/34/28/51/452342851.db2.gz RWVMDEQVKDGCBM-INIZCTEOSA-N 1 3 344.507 1.937 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@H]3CCN(C4CC4)C3)C2)C1 ZINC000652152487 452344357 /nfs/dbraw/zinc/34/43/57/452344357.db2.gz ORCIITIYCTTWJI-AIANPOQGSA-N 1 3 336.480 1.151 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCN2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000652154828 452347085 /nfs/dbraw/zinc/34/70/85/452347085.db2.gz PLABEXQDQLORDX-BZUAXINKSA-N 1 3 326.485 1.256 20 0 EDADHO Cc1noc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000665763779 452350525 /nfs/dbraw/zinc/35/05/25/452350525.db2.gz LLTQYVXYDIMAPK-QWHCGFSZSA-N 1 3 340.472 1.352 20 0 EDADHO Cc1noc([C@@H](C)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000665763779 452350535 /nfs/dbraw/zinc/35/05/35/452350535.db2.gz LLTQYVXYDIMAPK-QWHCGFSZSA-N 1 3 340.472 1.352 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3N)cc2)CC1 ZINC000638062318 452355797 /nfs/dbraw/zinc/35/57/97/452355797.db2.gz FBINUPOAUUHXCV-ZWKOTPCHSA-N 1 3 331.460 1.651 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000652163816 452359888 /nfs/dbraw/zinc/35/98/88/452359888.db2.gz YUQGVRVGRKYWRF-KRWDZBQOSA-N 1 3 336.505 1.643 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000638064694 452364441 /nfs/dbraw/zinc/36/44/41/452364441.db2.gz OCGJAWSVGSIPQT-AWEZNQCLSA-N 1 3 334.464 1.695 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)CCCOC1 ZINC000638068546 452374595 /nfs/dbraw/zinc/37/45/95/452374595.db2.gz CMMLBGAENQNRQQ-IBGZPJMESA-N 1 3 331.460 1.307 20 0 EDADHO COC[C@]1(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)CCCC[NH2+]1 ZINC000638077410 452389417 /nfs/dbraw/zinc/38/94/17/452389417.db2.gz SBLZLZSZXGDJPE-NUJGCVRESA-N 1 3 341.496 1.151 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000638077545 452389442 /nfs/dbraw/zinc/38/94/42/452389442.db2.gz ULOSOSGBTJBTDP-IEBWSBKVSA-N 1 3 346.519 1.684 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079356 452394797 /nfs/dbraw/zinc/39/47/97/452394797.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 1 3 332.492 1.292 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638079356 452394804 /nfs/dbraw/zinc/39/48/04/452394804.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 1 3 332.492 1.292 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659540365 452399505 /nfs/dbraw/zinc/39/95/05/452399505.db2.gz RRXIKUCGYZATIL-OLMNPRSZSA-N 1 3 346.475 1.050 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654366893 452418241 /nfs/dbraw/zinc/41/82/41/452418241.db2.gz HQLRLKZEJAPDPH-CALCHBBNSA-N 1 3 348.491 1.766 20 0 EDADHO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCN2CCC1CC2 ZINC000659578649 452433163 /nfs/dbraw/zinc/43/31/63/452433163.db2.gz OAJKMXQNYJLUTO-QZTJIDSGSA-N 1 3 328.460 1.622 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000657712564 452463284 /nfs/dbraw/zinc/46/32/84/452463284.db2.gz VBCAAXFLZJSHTR-KRWDZBQOSA-N 1 3 330.476 1.587 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH2+]C ZINC000659646706 452507917 /nfs/dbraw/zinc/50/79/17/452507917.db2.gz PRUDLBLADIEFNS-WBVHZDCISA-N 1 3 333.480 1.685 20 0 EDADHO COc1ccccc1N1CC[C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000647791580 452524270 /nfs/dbraw/zinc/52/42/70/452524270.db2.gz HVUHYEJRPMIGRE-JONQDZQNSA-N 1 3 329.444 1.778 20 0 EDADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655734034 452545019 /nfs/dbraw/zinc/54/50/19/452545019.db2.gz XVNDQRJEJNCDRQ-CEXWTWQISA-N 1 3 337.508 1.207 20 0 EDADHO C[C@H]1CN(CCC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760011 452562933 /nfs/dbraw/zinc/56/29/33/452562933.db2.gz UVNSJPUZLKTFTE-PKOBYXMFSA-N 1 3 339.524 1.720 20 0 EDADHO C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](CN)C1 ZINC000659687707 452564848 /nfs/dbraw/zinc/56/48/48/452564848.db2.gz YJCUVYUSEIYUNZ-ILXRZTDVSA-N 1 3 340.512 1.055 20 0 EDADHO Cc1ncc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000666190305 452671240 /nfs/dbraw/zinc/67/12/40/452671240.db2.gz VKAAWBUMGLUPCE-AWEZNQCLSA-N 1 3 338.521 1.899 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655916049 452677537 /nfs/dbraw/zinc/67/75/37/452677537.db2.gz ZKZUDCKADMEKSW-GRYCIOLGSA-N 1 3 338.418 1.932 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655916049 452677540 /nfs/dbraw/zinc/67/75/40/452677540.db2.gz ZKZUDCKADMEKSW-GRYCIOLGSA-N 1 3 338.418 1.932 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000654621689 452704718 /nfs/dbraw/zinc/70/47/18/452704718.db2.gz HXRRIVYRFXLGJM-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645718640 452719678 /nfs/dbraw/zinc/71/96/78/452719678.db2.gz QYNVZLKOODWRAO-XUWVNRHRSA-N 1 3 348.495 1.126 20 0 EDADHO O=c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975684 452721480 /nfs/dbraw/zinc/72/14/80/452721480.db2.gz DMXYYDJPJSUEHC-JKSUJKDBSA-N 1 3 326.444 1.906 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647993712 452735802 /nfs/dbraw/zinc/73/58/02/452735802.db2.gz LBWSNYRHOLOTBM-ROUUACIJSA-N 1 3 348.491 1.345 20 0 EDADHO C[C@H]([NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138381 452745658 /nfs/dbraw/zinc/74/56/58/452745658.db2.gz MRCXYQOTBDZHJR-MAUKXSAKSA-N 1 3 343.475 1.758 20 0 EDADHO CC1(OCC(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CNC1 ZINC000648122814 452839059 /nfs/dbraw/zinc/83/90/59/452839059.db2.gz VIXVOAHGDZKXOM-MSOLQXFVSA-N 1 3 345.487 1.564 20 0 EDADHO Cc1c(C(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000648157828 452867574 /nfs/dbraw/zinc/86/75/74/452867574.db2.gz HWUMTFWMIIKCSI-GDBMZVCRSA-N 1 3 346.479 1.067 20 0 EDADHO NC1(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)Cc2ccccc2C1 ZINC000648177602 452889441 /nfs/dbraw/zinc/88/94/41/452889441.db2.gz IOIOQNJETMBNBS-ZWKOTPCHSA-N 1 3 343.471 1.228 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CCN1C ZINC000664216259 452890544 /nfs/dbraw/zinc/89/05/44/452890544.db2.gz GEALTCBYQCYNQC-OWCLPIDISA-N 1 3 326.485 1.221 20 0 EDADHO [NH3+]C1(CNC(=O)[C@@H]2CNCCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000648179046 452891727 /nfs/dbraw/zinc/89/17/27/452891727.db2.gz QULOUIUKXPHWOW-NUAPRZDKSA-N 1 3 327.419 1.501 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977517 452963538 /nfs/dbraw/zinc/96/35/38/452963538.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977517 452963546 /nfs/dbraw/zinc/96/35/46/452963546.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977517 452963555 /nfs/dbraw/zinc/96/35/55/452963555.db2.gz DYIIJYYJQQVOED-QAPCUYQASA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccc(C(=O)NC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662253320 452980558 /nfs/dbraw/zinc/98/05/58/452980558.db2.gz IWPHZSUWEWWXDY-HNNXBMFYSA-N 1 3 349.500 1.772 20 0 EDADHO NC(=O)C1(c2ccccc2)CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662254726 452982998 /nfs/dbraw/zinc/98/29/98/452982998.db2.gz KGFHXRISAMJYHW-MRXNPFEDSA-N 1 3 329.444 1.027 20 0 EDADHO C[C@@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(S(N)(=O)=O)cc1 ZINC000662284444 453007520 /nfs/dbraw/zinc/00/75/20/453007520.db2.gz YGOYJDXVTVQPEF-CYBMUJFWSA-N 1 3 345.468 1.831 20 0 EDADHO O=C1N[C@@H]2CN(CC[C@H]3CCCCO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283023 453008344 /nfs/dbraw/zinc/00/83/44/453008344.db2.gz ZOHGMBFZFQHPQI-BRWVUGGUSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CC(C)(C)[NH3+] ZINC000662293950 453016805 /nfs/dbraw/zinc/01/68/05/453016805.db2.gz YAUQEMIRBUIZOF-MRXNPFEDSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047199 /nfs/dbraw/zinc/04/71/99/453047199.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 1 3 336.524 1.378 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047204 /nfs/dbraw/zinc/04/72/04/453047204.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 1 3 336.524 1.378 20 0 EDADHO CC(C)OCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338279 453056140 /nfs/dbraw/zinc/05/61/40/453056140.db2.gz PVYRYTOGSDDBCI-INIZCTEOSA-N 1 3 335.496 1.814 20 0 EDADHO CC(C)OCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662338279 453056147 /nfs/dbraw/zinc/05/61/47/453056147.db2.gz PVYRYTOGSDDBCI-INIZCTEOSA-N 1 3 335.496 1.814 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666699167 453077742 /nfs/dbraw/zinc/07/77/42/453077742.db2.gz YVKNVZBBHLXXTP-KGLIPLIRSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H](C)C1 ZINC000662386683 453097002 /nfs/dbraw/zinc/09/70/02/453097002.db2.gz DPWCVTRQIIVVGQ-UONOGXRCSA-N 1 3 334.464 1.992 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000662388726 453098330 /nfs/dbraw/zinc/09/83/30/453098330.db2.gz QZGJCSLWXRNGJZ-INIZCTEOSA-N 1 3 332.448 1.320 20 0 EDADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000648614134 453163189 /nfs/dbraw/zinc/16/31/89/453163189.db2.gz ZPRRWNQSYWVZBZ-OALUTQOASA-N 1 3 333.476 1.532 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000662475762 453189444 /nfs/dbraw/zinc/18/94/44/453189444.db2.gz OSAKSRQJZQWVID-IRXDYDNUSA-N 1 3 346.475 1.789 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000666971789 453287443 /nfs/dbraw/zinc/28/74/43/453287443.db2.gz HGLGNUYXEKJHMZ-IAGOWNOFSA-N 1 3 336.480 1.119 20 0 EDADHO CC1CCN([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)c2ccccc2)CC1 ZINC000653112228 453297628 /nfs/dbraw/zinc/29/76/28/453297628.db2.gz RQOBQIQFYZCSFY-OALUTQOASA-N 1 3 346.519 1.855 20 0 EDADHO CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000653111130 453297935 /nfs/dbraw/zinc/29/79/35/453297935.db2.gz FMHRSEHFJYLELV-QZTJIDSGSA-N 1 3 332.492 1.388 20 0 EDADHO CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000666978710 453299028 /nfs/dbraw/zinc/29/90/28/453299028.db2.gz BYYHMCVQRCWZDC-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CCN(C(=O)NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000666978710 453299036 /nfs/dbraw/zinc/29/90/36/453299036.db2.gz BYYHMCVQRCWZDC-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666978305 453299565 /nfs/dbraw/zinc/29/95/65/453299565.db2.gz WJVBGVXJAPNMOI-DLBZAZTESA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666978305 453299570 /nfs/dbraw/zinc/29/95/70/453299570.db2.gz WJVBGVXJAPNMOI-DLBZAZTESA-N 1 3 338.496 1.364 20 0 EDADHO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc4c(s3)CCNC4)CC2)C1 ZINC000662576513 453303095 /nfs/dbraw/zinc/30/30/95/453303095.db2.gz VOYVJHIEFNXQBV-CABCVRRESA-N 1 3 349.500 1.752 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125033 453319471 /nfs/dbraw/zinc/31/94/71/453319471.db2.gz QUNQGZBVEWBIBX-SFHVURJKSA-N 1 3 347.507 1.042 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000655247102 453371318 /nfs/dbraw/zinc/37/13/18/453371318.db2.gz SIKWSUXEHATGCC-SCTDSRPQSA-N 1 3 331.460 1.080 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccsc1 ZINC000662680329 453399490 /nfs/dbraw/zinc/39/94/90/453399490.db2.gz VFTDIODMGWUJSK-RRFJBIMHSA-N 1 3 325.478 1.611 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000662700208 453419632 /nfs/dbraw/zinc/41/96/32/453419632.db2.gz UOKMCSIUPDKVCG-QAQDUYKDSA-N 1 3 331.460 1.761 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662704933 453427809 /nfs/dbraw/zinc/42/78/09/453427809.db2.gz LXQMQGNGRLXKRT-IRXDYDNUSA-N 1 3 349.500 1.580 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000651295859 453443512 /nfs/dbraw/zinc/44/35/12/453443512.db2.gz QSGWFJMELWCKSJ-KSZLIROESA-N 1 3 335.492 1.334 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COc2ccccc21 ZINC000664914959 453480285 /nfs/dbraw/zinc/48/02/85/453480285.db2.gz CUGOOVUHKLXHJI-HOTGVXAUSA-N 1 3 348.491 1.734 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COc2ccccc21 ZINC000664914959 453480287 /nfs/dbraw/zinc/48/02/87/453480287.db2.gz CUGOOVUHKLXHJI-HOTGVXAUSA-N 1 3 348.491 1.734 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662756408 453494457 /nfs/dbraw/zinc/49/44/57/453494457.db2.gz HNQSHBURJLWDCC-ZDUSSCGKSA-N 1 3 336.505 1.150 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857581 453574283 /nfs/dbraw/zinc/57/42/83/453574283.db2.gz BKKQASGKVBEFGW-AEFFLSMTSA-N 1 3 331.460 1.259 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659015427 453581363 /nfs/dbraw/zinc/58/13/63/453581363.db2.gz PZBIIHVGNHFIKP-MRXNPFEDSA-N 1 3 348.495 1.688 20 0 EDADHO COCCN1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034598 453591839 /nfs/dbraw/zinc/59/18/39/453591839.db2.gz OWNHGOYXZFQQRI-IRXDYDNUSA-N 1 3 348.447 1.190 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000660829454 453592810 /nfs/dbraw/zinc/59/28/10/453592810.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000660829454 453592812 /nfs/dbraw/zinc/59/28/12/453592812.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000665291147 453638200 /nfs/dbraw/zinc/63/82/00/453638200.db2.gz VLEJNDCCRLHVSH-CJNGLKHVSA-N 1 3 333.480 1.774 20 0 EDADHO C[C@@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757616 /nfs/dbraw/zinc/75/76/16/453757616.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757617 /nfs/dbraw/zinc/75/76/17/453757617.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757620 /nfs/dbraw/zinc/75/76/20/453757620.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757621 /nfs/dbraw/zinc/75/76/21/453757621.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000665637211 453777951 /nfs/dbraw/zinc/77/79/51/453777951.db2.gz YARYMDPNJFLCID-HOTGVXAUSA-N 1 3 335.496 1.846 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCn2cccc2[C@@H]1C ZINC000665637211 453777954 /nfs/dbraw/zinc/77/79/54/453777954.db2.gz YARYMDPNJFLCID-HOTGVXAUSA-N 1 3 335.496 1.846 20 0 EDADHO CN(C)CCN1CCC([NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663362816 453779358 /nfs/dbraw/zinc/77/93/58/453779358.db2.gz YIHLUKGBCZMSLS-UHFFFAOYSA-N 1 3 332.492 1.655 20 0 EDADHO COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc2c(s1)CNCC2 ZINC000663492856 453809780 /nfs/dbraw/zinc/80/97/80/453809780.db2.gz CNKARZOVGYVOPY-OAHLLOKOSA-N 1 3 344.484 1.944 20 0 EDADHO C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)CCN1Cc1ccccc1 ZINC000382767265 486695733 /nfs/dbraw/zinc/69/57/33/486695733.db2.gz WVSHSXFBGQSFOJ-MRXNPFEDSA-N 1 3 331.460 1.488 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000683420256 486713995 /nfs/dbraw/zinc/71/39/95/486713995.db2.gz CYRNAELYJQXCED-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000683420256 486714000 /nfs/dbraw/zinc/71/40/00/486714000.db2.gz CYRNAELYJQXCED-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000672740148 486786798 /nfs/dbraw/zinc/78/67/98/486786798.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 1 3 337.508 1.964 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000672740148 486786803 /nfs/dbraw/zinc/78/68/03/486786803.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 1 3 337.508 1.964 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667795855 486968598 /nfs/dbraw/zinc/96/85/98/486968598.db2.gz SBFCOMMLPFDRMC-MRXNPFEDSA-N 1 3 329.448 1.819 20 0 EDADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667801853 486971797 /nfs/dbraw/zinc/97/17/97/486971797.db2.gz DNRXDFFUIRQQJT-BBRMVZONSA-N 1 3 329.448 1.818 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681214328 486975203 /nfs/dbraw/zinc/97/52/03/486975203.db2.gz GZOUZDDFYAULTM-KRWDZBQOSA-N 1 3 348.495 1.001 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681214328 486975207 /nfs/dbraw/zinc/97/52/07/486975207.db2.gz GZOUZDDFYAULTM-KRWDZBQOSA-N 1 3 348.495 1.001 20 0 EDADHO Cc1nccn1CCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681214328 486975212 /nfs/dbraw/zinc/97/52/12/486975212.db2.gz GZOUZDDFYAULTM-KRWDZBQOSA-N 1 3 348.495 1.001 20 0 EDADHO CN(CCNC(=O)Nc1cnn(CC[NH+](C)C)c1)Cc1ccccc1 ZINC000673872502 487142398 /nfs/dbraw/zinc/14/23/98/487142398.db2.gz YVCSGYCFKNLKEJ-UHFFFAOYSA-N 1 3 344.463 1.698 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CCCN(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318933 487236097 /nfs/dbraw/zinc/23/60/97/487236097.db2.gz KINUKEVVPPMHFJ-AWEZNQCLSA-N 1 3 334.468 1.674 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000674326932 487237575 /nfs/dbraw/zinc/23/75/75/487237575.db2.gz HOJBEHNXRHXWEL-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@H]1CN(C(=O)NCc2ccnc(OCCN(C)C)c2)CC[C@@H]1[NH3+] ZINC000669547118 485537408 /nfs/dbraw/zinc/53/74/08/485537408.db2.gz FUKPWJKCWVIAJF-HOTGVXAUSA-N 1 3 349.479 1.291 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000669570465 485589624 /nfs/dbraw/zinc/58/96/24/485589624.db2.gz VUXIFZJFVORMCC-QZTJIDSGSA-N 1 3 346.475 1.329 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1)C(C)C ZINC000668348535 485616440 /nfs/dbraw/zinc/61/64/40/485616440.db2.gz WLLZQMDTDAAUQF-HNNXBMFYSA-N 1 3 340.512 1.210 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000669139235 485729944 /nfs/dbraw/zinc/72/99/44/485729944.db2.gz SLBSROZJVDWGCB-AEFFLSMTSA-N 1 3 346.475 1.520 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436821 485749239 /nfs/dbraw/zinc/74/92/39/485749239.db2.gz OYOGCNYNEGTJRD-OALUTQOASA-N 1 3 345.487 1.703 20 0 EDADHO CN1CCN(CCCNC(=O)NC/C=C/C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347611 485996045 /nfs/dbraw/zinc/99/60/45/485996045.db2.gz SDIUNGZHFDNARY-DUMMIQTOSA-N 1 3 345.491 1.179 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000669420514 486141073 /nfs/dbraw/zinc/14/10/73/486141073.db2.gz NTQFRQDZTDNALE-SJLPKXTDSA-N 1 3 330.476 1.935 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NC/C=C/C[NH3+])CC2)cc1 ZINC000669422682 486143071 /nfs/dbraw/zinc/14/30/71/486143071.db2.gz PQYYHIYPGVQLQX-NSCUHMNNSA-N 1 3 346.475 1.721 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669426301 486146676 /nfs/dbraw/zinc/14/66/76/486146676.db2.gz GUKMSIWDUPUUTM-WBVHZDCISA-N 1 3 346.475 1.520 20 0 EDADHO COCC[NH2+]CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000418504748 518061792 /nfs/dbraw/zinc/06/17/92/518061792.db2.gz CJCNREWHRLWTLL-UHFFFAOYSA-N 1 3 326.485 1.130 20 0 EDADHO C[NH2+]CC1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000237367147 536442942 /nfs/dbraw/zinc/44/29/42/536442942.db2.gz IWDYPFZDPANJAP-UHFFFAOYSA-N 1 3 344.503 1.657 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000189828382 528436226 /nfs/dbraw/zinc/43/62/26/528436226.db2.gz AVBUEKOVSOFJEA-UHFFFAOYSA-N 1 3 334.464 1.487 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000339612020 535065566 /nfs/dbraw/zinc/06/55/66/535065566.db2.gz HJQNKIGSISWQPN-HOTGVXAUSA-N 1 3 340.512 1.020 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(O)cc1 ZINC000345235127 535594707 /nfs/dbraw/zinc/59/47/07/535594707.db2.gz XLMKWZQWYSYHII-INIZCTEOSA-N 1 3 349.475 1.646 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1ccc(O)cc1 ZINC000345235127 535594714 /nfs/dbraw/zinc/59/47/14/535594714.db2.gz XLMKWZQWYSYHII-INIZCTEOSA-N 1 3 349.475 1.646 20 0 EDADHO CN(C)Cc1cnc(CNCCN2CCC([NH+](C)C)CC2)s1 ZINC000352785467 536057982 /nfs/dbraw/zinc/05/79/82/536057982.db2.gz GPCIWVACNUKPTL-UHFFFAOYSA-N 1 3 325.526 1.320 20 0 EDADHO COC[C@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261571737 536651298 /nfs/dbraw/zinc/65/12/98/536651298.db2.gz LEXWTAACYZHVPM-FQEVSTJZSA-N 1 3 345.487 1.736 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000347575743 536776696 /nfs/dbraw/zinc/77/66/96/536776696.db2.gz XXCNOHWGUZGWPG-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000347575743 536776698 /nfs/dbraw/zinc/77/66/98/536776698.db2.gz XXCNOHWGUZGWPG-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=S)NC1CCN(C)CC1 ZINC000729642449 578586062 /nfs/dbraw/zinc/58/60/62/578586062.db2.gz MOACSKLTKCFTDJ-UHFFFAOYSA-N 1 3 330.542 1.245 20 0 EDADHO CN(C)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000760463312 580031324 /nfs/dbraw/zinc/03/13/24/580031324.db2.gz MYJVZZJBJPKQNZ-SFHVURJKSA-N 1 3 348.560 1.965 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000749592925 579731838 /nfs/dbraw/zinc/73/18/38/579731838.db2.gz XOZALSMXOWQSQN-DOTOQJQBSA-N 1 3 331.464 1.786 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000756815403 579957481 /nfs/dbraw/zinc/95/74/81/579957481.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 1 3 326.554 1.913 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000756815403 579957482 /nfs/dbraw/zinc/95/74/82/579957482.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 1 3 326.554 1.913 20 0 EDADHO COc1cc(CNC(=O)C2(N(C)C)CCC2)ccc1OCC[NH+](C)C ZINC000763029543 580090366 /nfs/dbraw/zinc/09/03/66/580090366.db2.gz FZAPHOQGGVOSMY-UHFFFAOYSA-N 1 3 349.475 1.736 20 0 EDADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099523 580113334 /nfs/dbraw/zinc/11/33/34/580113334.db2.gz AEKJHUKZIUUHRP-ZDUSSCGKSA-N 1 3 339.509 1.673 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000772981591 580324794 /nfs/dbraw/zinc/32/47/94/580324794.db2.gz HKCDHPDUEONIFI-HOCLYGCPSA-N 1 3 325.497 1.913 20 0 EDADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775372662 580389544 /nfs/dbraw/zinc/38/95/44/580389544.db2.gz FTCYSTJIITXBAA-PMPSAXMXSA-N 1 3 329.579 1.983 20 0 EDADHO CN1CCN([C@H]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000787524925 580696977 /nfs/dbraw/zinc/69/69/77/580696977.db2.gz KOSBIODBMVOZTR-HDICACEKSA-N 1 3 348.535 1.536 20 0 EDADHO C[C@@H](CNC(=O)NCCN1CCN(C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376597 581026858 /nfs/dbraw/zinc/02/68/58/581026858.db2.gz BQIYUKLMBZZJLC-INIZCTEOSA-N 1 3 339.528 1.186 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892087689 590792210 /nfs/dbraw/zinc/79/22/10/590792210.db2.gz HUYHBCLMWDRXKA-HZPDHXFCSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000892182112 590849539 /nfs/dbraw/zinc/84/95/39/590849539.db2.gz XIDVMLFCKOIWQS-NJAFHUGGSA-N 1 3 346.475 1.042 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000892182112 590849545 /nfs/dbraw/zinc/84/95/45/590849545.db2.gz XIDVMLFCKOIWQS-NJAFHUGGSA-N 1 3 346.475 1.042 20 0 EDADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1)C1CCCC1 ZINC000892184027 590852352 /nfs/dbraw/zinc/85/23/52/590852352.db2.gz NTCDNIQXNLZBBW-DJIMGWMZSA-N 1 3 338.496 1.304 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3COC[C@H]3C3CC3)CC2)CC1 ZINC000891037388 590924430 /nfs/dbraw/zinc/92/44/30/590924430.db2.gz CPQPBJKZUNHZLE-OALUTQOASA-N 1 3 349.519 1.724 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC2CCN(CCOC)CC2)C1 ZINC000892333583 590961040 /nfs/dbraw/zinc/96/10/40/590961040.db2.gz FIFWZJCQBSFHHQ-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CN1CCC[C@@H](CNc2nccc(NC[C@H]3CCC[N@H+](C)C3)n2)C1 ZINC000892421896 591022100 /nfs/dbraw/zinc/02/21/00/591022100.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 1 3 332.496 1.984 20 0 EDADHO CN1CCC[C@@H](CNc2nccc(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421896 591022103 /nfs/dbraw/zinc/02/21/03/591022103.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 1 3 332.496 1.984 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536061 591111499 /nfs/dbraw/zinc/11/14/99/591111499.db2.gz CBOZETMPDVYEGN-ZWKOTPCHSA-N 1 3 348.491 1.357 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891538125 591113322 /nfs/dbraw/zinc/11/33/22/591113322.db2.gz QFKFTJPKXTWEGS-FUHWJXTLSA-N 1 3 338.496 1.272 20 0 EDADHO CCN1CC[C@@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872408 591123658 /nfs/dbraw/zinc/12/36/58/591123658.db2.gz KMGGMFLFBUBWKS-PYUISTEWSA-N 1 3 331.460 1.851 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639019 591162297 /nfs/dbraw/zinc/16/22/97/591162297.db2.gz OWYYXWBBNYEUTO-IRXDYDNUSA-N 1 3 342.553 1.830 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892789741 591179836 /nfs/dbraw/zinc/17/98/36/591179836.db2.gz SNPMFGCUHOMBES-IEBWSBKVSA-N 1 3 328.460 1.486 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894077996 591188046 /nfs/dbraw/zinc/18/80/46/591188046.db2.gz YKXCMLOIBIRURW-KSSFIOAISA-N 1 3 343.475 1.726 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894077996 591188047 /nfs/dbraw/zinc/18/80/47/591188047.db2.gz YKXCMLOIBIRURW-KSSFIOAISA-N 1 3 343.475 1.726 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000892817410 591192675 /nfs/dbraw/zinc/19/26/75/591192675.db2.gz DIGYHLMCBGDDLJ-GVDBMIGSSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)C1=CCN(C)CC1 ZINC000891765723 591216641 /nfs/dbraw/zinc/21/66/41/591216641.db2.gz PLJHRVAQZJQOIV-AWEZNQCLSA-N 1 3 328.460 1.782 20 0 EDADHO CCC(CC)[NH2+]CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000893014825 591254496 /nfs/dbraw/zinc/25/44/96/591254496.db2.gz ZWNDBSJHVLQIIT-KRWDZBQOSA-N 1 3 340.512 1.707 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399918 /nfs/dbraw/zinc/39/99/18/591399918.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 1 3 331.460 1.516 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399921 /nfs/dbraw/zinc/39/99/21/591399921.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 1 3 331.460 1.516 20 0 EDADHO Cc1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000898585293 591423273 /nfs/dbraw/zinc/42/32/73/591423273.db2.gz RLQGYQHGPJIBMZ-LBPRGKRZSA-N 1 3 326.510 1.691 20 0 EDADHO Cc1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000898585293 591423276 /nfs/dbraw/zinc/42/32/76/591423276.db2.gz RLQGYQHGPJIBMZ-LBPRGKRZSA-N 1 3 326.510 1.691 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cncc(F)c1Cl ZINC000898585418 591423667 /nfs/dbraw/zinc/42/36/67/591423667.db2.gz WQHWUGVHQFQIQE-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cncc(F)c1Cl ZINC000898585418 591423669 /nfs/dbraw/zinc/42/36/69/591423669.db2.gz WQHWUGVHQFQIQE-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000897437019 591427289 /nfs/dbraw/zinc/42/72/89/591427289.db2.gz FNXKKEYOTXAIBZ-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)C[C@@H]2CCCO2)C1 ZINC000897437019 591427293 /nfs/dbraw/zinc/42/72/93/591427293.db2.gz FNXKKEYOTXAIBZ-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000896427930 591463955 /nfs/dbraw/zinc/46/39/55/591463955.db2.gz ISIXYMZKJPMSHI-HOTGVXAUSA-N 1 3 327.538 1.391 20 0 EDADHO CC[N@H+](CCC(N)=O)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000896714560 591591796 /nfs/dbraw/zinc/59/17/96/591591796.db2.gz GLJUSTUWLQEQOF-UHFFFAOYSA-N 1 3 332.492 1.914 20 0 EDADHO CC[N@@H+](CCC(N)=O)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000896714560 591591799 /nfs/dbraw/zinc/59/17/99/591591799.db2.gz GLJUSTUWLQEQOF-UHFFFAOYSA-N 1 3 332.492 1.914 20 0 EDADHO COCCN(C[C@@H]1[C@@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417330 591750560 /nfs/dbraw/zinc/75/05/60/591750560.db2.gz YDMADJNGZODMFU-KGLIPLIRSA-N 1 3 334.407 1.331 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897208780 591768806 /nfs/dbraw/zinc/76/88/06/591768806.db2.gz DNNJMNXYGXPLOY-HOTGVXAUSA-N 1 3 326.485 1.079 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179576 591930324 /nfs/dbraw/zinc/93/03/24/591930324.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000900179576 591930325 /nfs/dbraw/zinc/93/03/25/591930325.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@]1(O)CCCN(C)C1)[NH+]1CCC(C)CC1 ZINC000900190228 591934814 /nfs/dbraw/zinc/93/48/14/591934814.db2.gz DETZYTXUGFMMIA-PKOBYXMFSA-N 1 3 339.524 1.706 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940701 /nfs/dbraw/zinc/94/07/01/591940701.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940703 /nfs/dbraw/zinc/94/07/03/591940703.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900216190 591945660 /nfs/dbraw/zinc/94/56/60/591945660.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 1 3 325.497 1.462 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900216190 591945663 /nfs/dbraw/zinc/94/56/63/591945663.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 1 3 325.497 1.462 20 0 EDADHO CC1(C)CNCC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000902345671 591977185 /nfs/dbraw/zinc/97/71/85/591977185.db2.gz DPSOWIGAYBTWTR-AWEZNQCLSA-N 1 3 329.510 1.311 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900335582 591987332 /nfs/dbraw/zinc/98/73/32/591987332.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 1 3 345.487 1.785 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)C1 ZINC000900335582 591987335 /nfs/dbraw/zinc/98/73/35/591987335.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 1 3 345.487 1.785 20 0 EDADHO CNS(=O)(=O)CCCN[C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902399577 591990595 /nfs/dbraw/zinc/99/05/95/591990595.db2.gz USUMAQUATOWYBE-HNNXBMFYSA-N 1 3 349.447 1.664 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903099381 592120467 /nfs/dbraw/zinc/12/04/67/592120467.db2.gz GCGRIVIDAYBXHG-CYBMUJFWSA-N 1 3 327.469 1.479 20 0 EDADHO COC(=O)N1CCC([NH2+][C@@H]2C[C@]3(CN(C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117573 592123681 /nfs/dbraw/zinc/12/36/81/592123681.db2.gz VCASXRBFYADKIO-XLMAVXFVSA-N 1 3 339.480 1.287 20 0 EDADHO C[C@@H]1CN(CC(=O)N(C)CCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903496841 592188524 /nfs/dbraw/zinc/18/85/24/592188524.db2.gz GWVZROQWMKVONE-HUUCEWRRSA-N 1 3 337.439 1.580 20 0 EDADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nc1 ZINC000903506952 592198728 /nfs/dbraw/zinc/19/87/28/592198728.db2.gz GTTBPIOCEQEEEV-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc1 ZINC000903506952 592198729 /nfs/dbraw/zinc/19/87/29/592198729.db2.gz GTTBPIOCEQEEEV-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc1 ZINC000903506952 592198731 /nfs/dbraw/zinc/19/87/31/592198731.db2.gz GTTBPIOCEQEEEV-HDICACEKSA-N 1 3 330.476 1.881 20 0 EDADHO CC(C)Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507014 592198756 /nfs/dbraw/zinc/19/87/56/592198756.db2.gz JIAYSLPHHVRWPI-CALCHBBNSA-N 1 3 332.496 1.335 20 0 EDADHO CC(C)Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507014 592198758 /nfs/dbraw/zinc/19/87/58/592198758.db2.gz JIAYSLPHHVRWPI-CALCHBBNSA-N 1 3 332.496 1.335 20 0 EDADHO CCc1noc([C@@H]2CC[C@H](NCc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000904428446 592253568 /nfs/dbraw/zinc/25/35/68/592253568.db2.gz LGFSVHTTZUGITA-RDBSUJKOSA-N 1 3 345.451 1.574 20 0 EDADHO NC(=O)c1ccc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725441 592285268 /nfs/dbraw/zinc/28/52/68/592285268.db2.gz ZQNGFPKBBZMGRV-GOSISDBHSA-N 1 3 343.471 1.909 20 0 EDADHO O=C(NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726962 592286356 /nfs/dbraw/zinc/28/63/56/592286356.db2.gz PPXAWFZKIYVOPT-ICSRJNTNSA-N 1 3 349.519 1.916 20 0 EDADHO CCN(CC)CCNS(=O)(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000904767881 592325424 /nfs/dbraw/zinc/32/54/24/592325424.db2.gz XAXVYMMMMRTRSY-UHFFFAOYSA-N 1 3 348.472 1.781 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNc1ccc2c(c1)CNCCO2 ZINC000903918673 592376496 /nfs/dbraw/zinc/37/64/96/592376496.db2.gz FCJUYVATEWCAMA-HNNXBMFYSA-N 1 3 328.420 1.297 20 0 EDADHO C[C@H](COc1cccc(F)c1)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920268 592376939 /nfs/dbraw/zinc/37/69/39/592376939.db2.gz HYLYWZZFJBWDAL-UKRRQHHQSA-N 1 3 333.411 1.899 20 0 EDADHO N[C@H](C[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)CC(F)F ZINC000903926838 592381499 /nfs/dbraw/zinc/38/14/99/592381499.db2.gz UTAAWTMATSCJLU-QWHCGFSZSA-N 1 3 327.375 1.238 20 0 EDADHO CC(C)([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000903959784 592390740 /nfs/dbraw/zinc/39/07/40/592390740.db2.gz OGGFIHLVKRXQJV-LBPRGKRZSA-N 1 3 325.403 1.987 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905089801 592392863 /nfs/dbraw/zinc/39/28/63/592392863.db2.gz REOWCBSWDIXGDK-RTBURBONSA-N 1 3 336.476 1.562 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905089798 592392945 /nfs/dbraw/zinc/39/29/45/592392945.db2.gz REOWCBSWDIXGDK-MOPGFXCFSA-N 1 3 336.476 1.562 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908327806 592462484 /nfs/dbraw/zinc/46/24/84/592462484.db2.gz GGQPVMBNSBZMJL-GOSISDBHSA-N 1 3 334.464 1.889 20 0 EDADHO CCC(CC)Nc1ccncc1NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908327806 592462486 /nfs/dbraw/zinc/46/24/86/592462486.db2.gz GGQPVMBNSBZMJL-GOSISDBHSA-N 1 3 334.464 1.889 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905367170 592517116 /nfs/dbraw/zinc/51/71/16/592517116.db2.gz JFROFQKNAAZTOI-OALUTQOASA-N 1 3 348.487 1.399 20 0 EDADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCCC1 ZINC000905367170 592517118 /nfs/dbraw/zinc/51/71/18/592517118.db2.gz JFROFQKNAAZTOI-OALUTQOASA-N 1 3 348.487 1.399 20 0 EDADHO CN1CC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000907152026 592538660 /nfs/dbraw/zinc/53/86/60/592538660.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 1 3 330.476 1.041 20 0 EDADHO CN1CC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000907152026 592538661 /nfs/dbraw/zinc/53/86/61/592538661.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 1 3 330.476 1.041 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503692 592546680 /nfs/dbraw/zinc/54/66/80/592546680.db2.gz SHQZUTKLPOATLW-QQXKLLMISA-N 1 3 342.524 1.479 20 0 EDADHO C[N@H+](C[C@@H](O)CNCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588762 592583778 /nfs/dbraw/zinc/58/37/78/592583778.db2.gz YOQCTJUNZACSQV-ZDUSSCGKSA-N 1 3 343.269 1.179 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588762 592583781 /nfs/dbraw/zinc/58/37/81/592583781.db2.gz YOQCTJUNZACSQV-ZDUSSCGKSA-N 1 3 343.269 1.179 20 0 EDADHO CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000905686493 592613121 /nfs/dbraw/zinc/61/31/21/592613121.db2.gz FADNGEURSLXWNC-KKUMJFAQSA-N 1 3 327.469 1.336 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907567428 592712956 /nfs/dbraw/zinc/71/29/56/592712956.db2.gz OLXUNBSJTXJUSS-HNNXBMFYSA-N 1 3 348.516 1.828 20 0 EDADHO C[C@H](NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000911725648 592989031 /nfs/dbraw/zinc/98/90/31/592989031.db2.gz OAEQEOZABMTSFT-TUKIKUTGSA-N 1 3 330.432 1.017 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000911726663 592989461 /nfs/dbraw/zinc/98/94/61/592989461.db2.gz FSRPBRYQOFXJIP-UHFFFAOYSA-N 1 3 333.476 1.946 20 0 EDADHO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@]12C[C@H]1CCCN2 ZINC000911734715 592992468 /nfs/dbraw/zinc/99/24/68/592992468.db2.gz BHOBGVVNRCQAKM-KUHUBIRLSA-N 1 3 343.427 1.676 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)CCc2ccc(OCCN(C)C)cc2)C1 ZINC000911774727 593002556 /nfs/dbraw/zinc/00/25/56/593002556.db2.gz MFXAFEFKPNUPJA-KRWDZBQOSA-N 1 3 333.476 1.628 20 0 EDADHO CC[C@@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)N(CC)CC ZINC000912587579 593106581 /nfs/dbraw/zinc/10/65/81/593106581.db2.gz CBCIRMMTJJSPQO-INIZCTEOSA-N 1 3 327.513 1.706 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784456299 593139417 /nfs/dbraw/zinc/13/94/17/593139417.db2.gz MFUJJMGRYMVBHZ-UHFFFAOYSA-N 1 3 345.451 1.224 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCn2ccnc21 ZINC000838638093 593199590 /nfs/dbraw/zinc/19/95/90/593199590.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 1 3 348.495 1.385 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCn2ccnc21 ZINC000838638093 593199591 /nfs/dbraw/zinc/19/95/91/593199591.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 1 3 348.495 1.385 20 0 EDADHO Cc1ccc([C@@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000820074972 593788695 /nfs/dbraw/zinc/78/86/95/593788695.db2.gz PYKFDSMLIOMJNN-ZFWWWQNUSA-N 1 3 340.468 1.193 20 0 EDADHO Cc1ccc([C@@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000820074972 593788696 /nfs/dbraw/zinc/78/86/96/593788696.db2.gz PYKFDSMLIOMJNN-ZFWWWQNUSA-N 1 3 340.468 1.193 20 0 EDADHO COCCN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000820808853 593895145 /nfs/dbraw/zinc/89/51/45/593895145.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 1 3 325.497 1.329 20 0 EDADHO COCCN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820808853 593895146 /nfs/dbraw/zinc/89/51/46/593895146.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 1 3 325.497 1.329 20 0 EDADHO COCCN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000820808853 593895147 /nfs/dbraw/zinc/89/51/47/593895147.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 1 3 325.497 1.329 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@@H](c3nc(N4CCNCC4)no3)C2)cc1 ZINC000823315529 594184742 /nfs/dbraw/zinc/18/47/42/594184742.db2.gz MYODNGIJQOGKPD-MRXNPFEDSA-N 1 3 327.432 1.859 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@@H](c3nc(N4CCNCC4)no3)C2)cc1 ZINC000823315529 594184743 /nfs/dbraw/zinc/18/47/43/594184743.db2.gz MYODNGIJQOGKPD-MRXNPFEDSA-N 1 3 327.432 1.859 20 0 EDADHO CCN(C)C[C@H]1CC[N@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316448 /nfs/dbraw/zinc/31/64/48/594316448.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 1 3 345.443 1.878 20 0 EDADHO CCN(C)C[C@H]1CC[N@@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316450 /nfs/dbraw/zinc/31/64/50/594316450.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 1 3 345.443 1.878 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000830470141 594401831 /nfs/dbraw/zinc/40/18/31/594401831.db2.gz BINOFSHFFXJSOO-CQSZACIVSA-N 1 3 342.871 1.518 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC000830470141 594401832 /nfs/dbraw/zinc/40/18/32/594401832.db2.gz BINOFSHFFXJSOO-CQSZACIVSA-N 1 3 342.871 1.518 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3ccnn3C)CC2)CC1 ZINC000828915209 594529569 /nfs/dbraw/zinc/52/95/69/594529569.db2.gz NZWWXXDHVVLOII-HNNXBMFYSA-N 1 3 347.507 1.794 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000827080591 594636205 /nfs/dbraw/zinc/63/62/05/594636205.db2.gz GEMNMLFBIWFNNQ-UHFFFAOYSA-N 1 3 332.492 1.569 20 0 EDADHO CCO[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)C[NH+](C)C ZINC000831743939 594698575 /nfs/dbraw/zinc/69/85/75/594698575.db2.gz MCSUKVLCRFLRRB-SFHVURJKSA-N 1 3 342.443 1.944 20 0 EDADHO C[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N1CCCCC1 ZINC000841320991 594884330 /nfs/dbraw/zinc/88/43/30/594884330.db2.gz CMTBKRKIKPKKPY-ZFWWWQNUSA-N 1 3 331.464 1.894 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000841851494 594965296 /nfs/dbraw/zinc/96/52/96/594965296.db2.gz LLICTCNIXKXEKO-YQVWRLOYSA-N 1 3 333.451 1.887 20 0 EDADHO C[C@]1(CNC(=O)N2CCCNCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898572 594976881 /nfs/dbraw/zinc/97/68/81/594976881.db2.gz OAZPIDGFOZUVHO-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO C[C@]1(CNC(=O)N2CCCNCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000841898572 594976883 /nfs/dbraw/zinc/97/68/83/594976883.db2.gz OAZPIDGFOZUVHO-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO CCOC(=O)CN(C(=O)CN(C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355646 595085624 /nfs/dbraw/zinc/08/56/24/595085624.db2.gz YYMSYNJYYZTVBW-UHFFFAOYSA-N 1 3 347.459 1.784 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000843508574 595136710 /nfs/dbraw/zinc/13/67/10/595136710.db2.gz XTLARJACZRAGCT-IPMKNSEASA-N 1 3 343.471 1.488 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000846144883 595156271 /nfs/dbraw/zinc/15/62/71/595156271.db2.gz KSJBEEWCTHHIKJ-SJORKVTESA-N 1 3 332.448 1.068 20 0 EDADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000834854286 595231401 /nfs/dbraw/zinc/23/14/01/595231401.db2.gz UVHQQUPSKNCAJQ-MRXNPFEDSA-N 1 3 325.497 1.712 20 0 EDADHO CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844174243 595291934 /nfs/dbraw/zinc/29/19/34/595291934.db2.gz SCOWGBCBKYPABD-RTBURBONSA-N 1 3 345.487 1.878 20 0 EDADHO C[NH+](C)CCOc1cccc(-c2noc(C[C@@H]3CNCCO3)n2)c1 ZINC000843186525 595301168 /nfs/dbraw/zinc/30/11/68/595301168.db2.gz YYYBNYIEPUDKJF-OAHLLOKOSA-N 1 3 332.404 1.208 20 0 EDADHO CN(C)CCn1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cn1 ZINC000847417122 595415056 /nfs/dbraw/zinc/41/50/56/595415056.db2.gz WNTBPUJYGGCJMV-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059803 595476753 /nfs/dbraw/zinc/47/67/53/595476753.db2.gz OQFNRUASVIORNX-CABCVRRESA-N 1 3 338.427 1.164 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074468 595478487 /nfs/dbraw/zinc/47/84/87/595478487.db2.gz QCVPNESVSQVPKE-LLVKDONJSA-N 1 3 332.374 1.544 20 0 EDADHO O[C@@H]1C[C@@H](NC2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529508 595529143 /nfs/dbraw/zinc/52/91/43/595529143.db2.gz QRVWCCFMKWOXQB-WOJBJXKFSA-N 1 3 345.487 1.551 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849521664 595558133 /nfs/dbraw/zinc/55/81/33/595558133.db2.gz USWLBGAOKIWAKP-IRXDYDNUSA-N 1 3 333.480 1.010 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000849525123 595558897 /nfs/dbraw/zinc/55/88/97/595558897.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 1 3 345.491 1.056 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000849525123 595558900 /nfs/dbraw/zinc/55/89/00/595558900.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 1 3 345.491 1.056 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559585 /nfs/dbraw/zinc/55/95/85/595559585.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 1 3 335.496 1.304 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559587 /nfs/dbraw/zinc/55/95/87/595559587.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 1 3 335.496 1.304 20 0 EDADHO NC[C@@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)=NO1 ZINC000852863429 595583657 /nfs/dbraw/zinc/58/36/57/595583657.db2.gz OQYRNCOOXUSYGH-KRWDZBQOSA-N 1 3 344.459 1.782 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@]2(F)CCNC2)cc1F ZINC000852906951 595609212 /nfs/dbraw/zinc/60/92/12/595609212.db2.gz ZAFRDQHLBMXRDW-RVSPLBMKSA-N 1 3 339.386 1.098 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855345490 595680840 /nfs/dbraw/zinc/68/08/40/595680840.db2.gz BUENVGODQCYLDK-MAUKXSAKSA-N 1 3 346.475 1.892 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000855345490 595680843 /nfs/dbraw/zinc/68/08/43/595680843.db2.gz BUENVGODQCYLDK-MAUKXSAKSA-N 1 3 346.475 1.892 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000853238836 595717263 /nfs/dbraw/zinc/71/72/63/595717263.db2.gz SKWZFVUERGMYPZ-RYUDHWBXSA-N 1 3 339.311 1.751 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000853238836 595717266 /nfs/dbraw/zinc/71/72/66/595717266.db2.gz SKWZFVUERGMYPZ-RYUDHWBXSA-N 1 3 339.311 1.751 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028790 /nfs/dbraw/zinc/02/87/90/596028790.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 1 3 348.491 1.853 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028795 /nfs/dbraw/zinc/02/87/95/596028795.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 1 3 348.491 1.853 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000861626312 596050858 /nfs/dbraw/zinc/05/08/58/596050858.db2.gz OBBXBSRJWYBQDA-NVXWUHKLSA-N 1 3 334.464 1.266 20 0 EDADHO [NH3+][C@@H]1CN(S(=O)(=O)CCCN2CCCC2)C[C@H]1c1ccccc1 ZINC000866762686 596328506 /nfs/dbraw/zinc/32/85/06/596328506.db2.gz YVCCSSPBHHYPIH-DLBZAZTESA-N 1 3 337.489 1.229 20 0 EDADHO Cc1ccn(C[C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000865063388 596461030 /nfs/dbraw/zinc/46/10/30/596461030.db2.gz CWBHTHHDMTZSAB-HNNXBMFYSA-N 1 3 347.507 1.502 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC2CCCC2)c1 ZINC000865178043 596502245 /nfs/dbraw/zinc/50/22/45/596502245.db2.gz OUOITQOSEGGDDW-UHFFFAOYSA-N 1 3 335.496 1.639 20 0 EDADHO Cn1ncc2cc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cnc21 ZINC000865496341 596590771 /nfs/dbraw/zinc/59/07/71/596590771.db2.gz VIQSXBZUXXCXNG-DLBZAZTESA-N 1 3 329.448 1.436 20 0 EDADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000863769166 596681374 /nfs/dbraw/zinc/68/13/74/596681374.db2.gz XOWAIHMNZHMXJM-AWEZNQCLSA-N 1 3 340.512 1.151 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000863897962 596709721 /nfs/dbraw/zinc/70/97/21/596709721.db2.gz YWIVMFDUOLILAH-UHFFFAOYSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1C ZINC000868237799 596740383 /nfs/dbraw/zinc/74/03/83/596740383.db2.gz NDSGIIZVYVZDAK-OSMBCOQSSA-N 1 3 344.459 1.381 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C)C(C)(C)CC2)cc1 ZINC000868298182 596774373 /nfs/dbraw/zinc/77/43/73/596774373.db2.gz QEXHYFAEIKFSAJ-CYBMUJFWSA-N 1 3 332.448 1.588 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc3cnccc32)C1 ZINC000872257486 596857727 /nfs/dbraw/zinc/85/77/27/596857727.db2.gz RULNEFVMXJRPOO-RYQLBKOJSA-N 1 3 338.411 1.602 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1CN(C)C ZINC000873109208 597198298 /nfs/dbraw/zinc/19/82/98/597198298.db2.gz HIUGVAZLSSUJEC-HNAYVOBHSA-N 1 3 344.459 1.063 20 0 EDADHO COC(=O)CCN(Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000873205394 597227278 /nfs/dbraw/zinc/22/72/78/597227278.db2.gz NXIMVPSFKAKLLM-AWEZNQCLSA-N 1 3 338.473 1.938 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250925 597240436 /nfs/dbraw/zinc/24/04/36/597240436.db2.gz UCBJWFLWYOKHOE-IIAWOOMASA-N 1 3 326.462 1.335 20 0 EDADHO CC1CC[NH+](CCCNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875020226 597246856 /nfs/dbraw/zinc/24/68/56/597246856.db2.gz OBNUSJOQMIUANI-INIZCTEOSA-N 1 3 340.512 1.253 20 0 EDADHO Cn1ncc(C[NH3+])c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000876709484 597297155 /nfs/dbraw/zinc/29/71/55/597297155.db2.gz SDNLVNLZZWBLNG-MRXNPFEDSA-N 1 3 327.432 1.446 20 0 EDADHO COCCN(C)CCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000875215798 597335712 /nfs/dbraw/zinc/33/57/12/597335712.db2.gz MFMJPRYPOVTFBI-UHFFFAOYSA-N 1 3 342.528 1.574 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371541 597404678 /nfs/dbraw/zinc/40/46/78/597404678.db2.gz QPLHIQCZSCEWAF-DOTOQJQBSA-N 1 3 334.508 1.987 20 0 EDADHO CC1(C)CC[C@@H](CNC(=O)CC2(N3CCOCC3)CCCC2)[NH2+]C1 ZINC000877152156 597444530 /nfs/dbraw/zinc/44/45/30/597444530.db2.gz HCNCDOYWWFEILW-INIZCTEOSA-N 1 3 337.508 1.916 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257931 597482121 /nfs/dbraw/zinc/48/21/21/597482121.db2.gz UOPOIUKJFPZKFM-XLIONFOSSA-N 1 3 346.519 1.669 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000877826359 597560521 /nfs/dbraw/zinc/56/05/21/597560521.db2.gz BQYLCCGQKFLNFH-CTYIDZIISA-N 1 3 326.481 1.932 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCCC1 ZINC000878311268 597594627 /nfs/dbraw/zinc/59/46/27/597594627.db2.gz GMIGJNPGMJGONX-KRWDZBQOSA-N 1 3 327.513 1.000 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H](O)CC1(O)CCCC1 ZINC000878311268 597594628 /nfs/dbraw/zinc/59/46/28/597594628.db2.gz GMIGJNPGMJGONX-KRWDZBQOSA-N 1 3 327.513 1.000 20 0 EDADHO CC[NH+](CC)CCOCCNCc1c2c(nn1C)CCSC2 ZINC000883086980 597644131 /nfs/dbraw/zinc/64/41/31/597644131.db2.gz KNJXOORAQTZPOR-UHFFFAOYSA-N 1 3 326.510 1.657 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000879008317 597784573 /nfs/dbraw/zinc/78/45/73/597784573.db2.gz CTMLUYYPCZGLJJ-CQSZACIVSA-N 1 3 331.460 1.873 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000883770346 597894976 /nfs/dbraw/zinc/89/49/76/597894976.db2.gz PANSKZVYORKSPS-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000883770346 597894979 /nfs/dbraw/zinc/89/49/79/597894979.db2.gz PANSKZVYORKSPS-JKSUJKDBSA-N 1 3 342.528 1.763 20 0 EDADHO CN(C)CCN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881132895 598084587 /nfs/dbraw/zinc/08/45/87/598084587.db2.gz QHDZMSFWHOQNOT-SFHVURJKSA-N 1 3 345.491 1.996 20 0 EDADHO CN(C)CCN(C)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000881132895 598084590 /nfs/dbraw/zinc/08/45/90/598084590.db2.gz QHDZMSFWHOQNOT-SFHVURJKSA-N 1 3 345.491 1.996 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)[C@@H](C)C1 ZINC000914179170 695258970 /nfs/dbraw/zinc/25/89/70/695258970.db2.gz CNRMWGOUGJDZPU-BBWFWOEESA-N 1 3 343.537 1.464 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CCN(C2)CCC3)[C@@H](C)C1 ZINC000914179170 695258973 /nfs/dbraw/zinc/25/89/73/695258973.db2.gz CNRMWGOUGJDZPU-BBWFWOEESA-N 1 3 343.537 1.464 20 0 EDADHO Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000992903857 695440298 /nfs/dbraw/zinc/44/02/98/695440298.db2.gz DIRHIFIUFGCPFM-GVDBMIGSSA-N 1 3 345.491 1.233 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000916841698 696796505 /nfs/dbraw/zinc/79/65/05/696796505.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000916841698 696796509 /nfs/dbraw/zinc/79/65/09/696796509.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000921424716 697602814 /nfs/dbraw/zinc/60/28/14/697602814.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 1 3 338.496 1.268 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000921424716 697602815 /nfs/dbraw/zinc/60/28/15/697602815.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 1 3 338.496 1.268 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000940124491 700258242 /nfs/dbraw/zinc/25/82/42/700258242.db2.gz FJUXREHXHNYSPX-IRXDYDNUSA-N 1 3 335.492 1.620 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501749 701561404 /nfs/dbraw/zinc/56/14/04/701561404.db2.gz GTCWVFPYNIVUTO-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1)N(C)C ZINC000941570982 701580897 /nfs/dbraw/zinc/58/08/97/701580897.db2.gz HWKVHBKQVYWDKP-HTWSVDAQSA-N 1 3 336.524 1.201 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939210025 699356868 /nfs/dbraw/zinc/35/68/68/699356868.db2.gz KZYLCWHEDABERJ-KSSFIOAISA-N 1 3 341.459 1.655 20 0 EDADHO Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939214539 699385711 /nfs/dbraw/zinc/38/57/11/699385711.db2.gz LSCCBHVKBGRFST-YJBOKZPZSA-N 1 3 326.444 1.940 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939258552 699436125 /nfs/dbraw/zinc/43/61/25/699436125.db2.gz RBLDBZAXNQHPEZ-SCLBCKFNSA-N 1 3 348.491 1.960 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)CCCn2ccnc2C)CC1 ZINC000069574351 699712515 /nfs/dbraw/zinc/71/25/15/699712515.db2.gz XKEHVAAAEAVRFW-MRXNPFEDSA-N 1 3 335.496 1.362 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677362 701615877 /nfs/dbraw/zinc/61/58/77/701615877.db2.gz NHGXHZXKEYOCAY-IAGOWNOFSA-N 1 3 336.524 1.344 20 0 EDADHO Cc1nnc(CNC2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000940159331 700292240 /nfs/dbraw/zinc/29/22/40/700292240.db2.gz GXZWZHUNWMFVJK-HNNXBMFYSA-N 1 3 348.495 1.458 20 0 EDADHO Cc1nnc(CNC2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000940159331 700292243 /nfs/dbraw/zinc/29/22/43/700292243.db2.gz GXZWZHUNWMFVJK-HNNXBMFYSA-N 1 3 348.495 1.458 20 0 EDADHO CC1([NH2+]Cc2cnon2)CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC000940200155 700358469 /nfs/dbraw/zinc/35/84/69/700358469.db2.gz AYSBPWMPGAHNKJ-UHFFFAOYSA-N 1 3 340.387 1.502 20 0 EDADHO O=C(N[C@@H]1CC[C@H](CNCc2nccs2)C1)C12CC[NH+](CC1)C2 ZINC000995169218 701646620 /nfs/dbraw/zinc/64/66/20/701646620.db2.gz RMSGXQPRUMVKSG-UONOGXRCSA-N 1 3 334.489 1.613 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)C1 ZINC000940328546 700507037 /nfs/dbraw/zinc/50/70/37/700507037.db2.gz KGPQVPPLEARTGA-OAHLLOKOSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940356577 700518538 /nfs/dbraw/zinc/51/85/38/700518538.db2.gz UCJRAICMFXIZQF-UHFFFAOYSA-N 1 3 327.432 1.827 20 0 EDADHO Cc1cc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079153 700683635 /nfs/dbraw/zinc/68/36/35/700683635.db2.gz MLILJKGHWSBVCI-RDJZCZTQSA-N 1 3 347.507 1.445 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941237398 701428150 /nfs/dbraw/zinc/42/81/50/701428150.db2.gz MSMPGSRTVJCSIW-GOSISDBHSA-N 1 3 347.503 1.961 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000941237398 701428152 /nfs/dbraw/zinc/42/81/52/701428152.db2.gz MSMPGSRTVJCSIW-GOSISDBHSA-N 1 3 347.503 1.961 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443722 701535562 /nfs/dbraw/zinc/53/55/62/701535562.db2.gz RLUBXERAMHPXAP-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443722 701535564 /nfs/dbraw/zinc/53/55/64/701535564.db2.gz RLUBXERAMHPXAP-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccccn1 ZINC000995823147 702093036 /nfs/dbraw/zinc/09/30/36/702093036.db2.gz LACIVEULNNFINW-ZWKOTPCHSA-N 1 3 342.487 1.750 20 0 EDADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCCO3)C(C)(C)C2)CCC1 ZINC000995884645 702218500 /nfs/dbraw/zinc/21/85/00/702218500.db2.gz GXHKLAQTPRBVMU-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO CCc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186006 702313818 /nfs/dbraw/zinc/31/38/18/702313818.db2.gz FUHXHZCPVJFCIO-IBGZPJMESA-N 1 3 329.488 1.791 20 0 EDADHO CCc1ccc(CCN2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186006 702313825 /nfs/dbraw/zinc/31/38/25/702313825.db2.gz FUHXHZCPVJFCIO-IBGZPJMESA-N 1 3 329.488 1.791 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccns3)C2)CC[N@@H+]1C ZINC000999210620 706663397 /nfs/dbraw/zinc/66/33/97/706663397.db2.gz UEIOXLBZYWHPOT-CWRNSKLLSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccns3)C2)CC[N@H+]1C ZINC000999210620 706663398 /nfs/dbraw/zinc/66/33/98/706663398.db2.gz UEIOXLBZYWHPOT-CWRNSKLLSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@@H]1CN(CCc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170391 702413328 /nfs/dbraw/zinc/41/33/28/702413328.db2.gz SNDAACBGWIILEM-ZBFHGGJFSA-N 1 3 348.516 1.608 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1)N1CCCC1 ZINC000996126997 702559107 /nfs/dbraw/zinc/55/91/07/702559107.db2.gz LYBUWIFZPNDLQY-JKSUJKDBSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000996195404 702622181 /nfs/dbraw/zinc/62/21/81/702622181.db2.gz KATGVQMDZJJHBO-ZOBUZTSGSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000996195404 702622182 /nfs/dbraw/zinc/62/21/82/702622182.db2.gz KATGVQMDZJJHBO-ZOBUZTSGSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300220 702691619 /nfs/dbraw/zinc/69/16/19/702691619.db2.gz KJNCVSLUJWALQV-WBVHZDCISA-N 1 3 347.507 1.131 20 0 EDADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CC2)cn1 ZINC001032675766 706694970 /nfs/dbraw/zinc/69/49/70/706694970.db2.gz MHAVZYAPDIIALM-IRXDYDNUSA-N 1 3 331.464 1.144 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996465817 702793167 /nfs/dbraw/zinc/79/31/67/702793167.db2.gz YUWAKUJIVKUOOI-MRXNPFEDSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996465817 702793169 /nfs/dbraw/zinc/79/31/69/702793169.db2.gz YUWAKUJIVKUOOI-MRXNPFEDSA-N 1 3 333.480 1.374 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996517013 702852465 /nfs/dbraw/zinc/85/24/65/702852465.db2.gz DCJCQOQNJOLMNA-WBVHZDCISA-N 1 3 345.491 1.453 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996517013 702852468 /nfs/dbraw/zinc/85/24/68/702852468.db2.gz DCJCQOQNJOLMNA-WBVHZDCISA-N 1 3 345.491 1.453 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614374 702919691 /nfs/dbraw/zinc/91/96/91/702919691.db2.gz MYEZXRYRISXIJJ-GDBMZVCRSA-N 1 3 333.480 1.007 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614374 702919693 /nfs/dbraw/zinc/91/96/93/702919693.db2.gz MYEZXRYRISXIJJ-GDBMZVCRSA-N 1 3 333.480 1.007 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000996672906 702973967 /nfs/dbraw/zinc/97/39/67/702973967.db2.gz QGFAYUPNQHRVCQ-DNVCBOLYSA-N 1 3 335.492 1.478 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996688315 702985697 /nfs/dbraw/zinc/98/56/97/702985697.db2.gz IADWCCLWDNZEDU-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996688315 702985699 /nfs/dbraw/zinc/98/56/99/702985699.db2.gz IADWCCLWDNZEDU-GOSISDBHSA-N 1 3 347.507 1.858 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996692876 702990088 /nfs/dbraw/zinc/99/00/88/702990088.db2.gz ZMCFMZAMRDNXKZ-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996692876 702990091 /nfs/dbraw/zinc/99/00/91/702990091.db2.gz ZMCFMZAMRDNXKZ-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)s1 ZINC000996996240 703259470 /nfs/dbraw/zinc/25/94/70/703259470.db2.gz WTGKOSUCFMOUNU-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008979 703262301 /nfs/dbraw/zinc/26/23/01/703262301.db2.gz NQOAGZJOBYPXHL-HOCLYGCPSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008979 703262303 /nfs/dbraw/zinc/26/23/03/703262303.db2.gz NQOAGZJOBYPXHL-HOCLYGCPSA-N 1 3 333.480 1.181 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997007013 703264438 /nfs/dbraw/zinc/26/44/38/703264438.db2.gz NUIZOLYHUCGTPZ-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997007013 703264439 /nfs/dbraw/zinc/26/44/39/703264439.db2.gz NUIZOLYHUCGTPZ-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000997056100 703301737 /nfs/dbraw/zinc/30/17/37/703301737.db2.gz AGHVSUKTWUSHMW-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997308074 703566390 /nfs/dbraw/zinc/56/63/90/703566390.db2.gz ZEFHSWZEYRAVLA-UHFFFAOYSA-N 1 3 334.464 1.722 20 0 EDADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1CC[NH+](CCCO)CC1 ZINC000997432212 703664013 /nfs/dbraw/zinc/66/40/13/703664013.db2.gz WXHOULFTNMFTQS-MRXNPFEDSA-N 1 3 347.503 1.961 20 0 EDADHO CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997612857 703910329 /nfs/dbraw/zinc/91/03/29/703910329.db2.gz KXBIIWMPEZXJGF-KRWDZBQOSA-N 1 3 348.491 1.968 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001004203599 703939586 /nfs/dbraw/zinc/93/95/86/703939586.db2.gz LKCXKRSUHFOBGA-HOTGVXAUSA-N 1 3 333.480 1.337 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997786871 704696039 /nfs/dbraw/zinc/69/60/39/704696039.db2.gz QQJQTMRRCLWNBC-FUHWJXTLSA-N 1 3 339.524 1.848 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804386 704716281 /nfs/dbraw/zinc/71/62/81/704716281.db2.gz RFMMPICOXUVYEN-OALUTQOASA-N 1 3 349.519 1.868 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997830220 704748629 /nfs/dbraw/zinc/74/86/29/704748629.db2.gz FAJLBSOSVPSVAE-QGZVFWFLSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)o1 ZINC000997830307 704749162 /nfs/dbraw/zinc/74/91/62/704749162.db2.gz HRTFDGWCKVXQHA-KRWDZBQOSA-N 1 3 334.464 1.651 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998039502 705234293 /nfs/dbraw/zinc/23/42/93/705234293.db2.gz ABSALYCZVYNQTQ-GOSISDBHSA-N 1 3 349.523 1.817 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083587 705312362 /nfs/dbraw/zinc/31/23/62/705312362.db2.gz WNRXGYOOILWSKZ-OAHLLOKOSA-N 1 3 333.480 1.090 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998221087 705545686 /nfs/dbraw/zinc/54/56/86/705545686.db2.gz BHTLCIYDAYJEBP-UHFFFAOYSA-N 1 3 345.491 1.327 20 0 EDADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1cnccn1 ZINC000998272960 705652526 /nfs/dbraw/zinc/65/25/26/705652526.db2.gz HSTJAOYCHFVIIU-HNNXBMFYSA-N 1 3 331.464 1.462 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555199 705993935 /nfs/dbraw/zinc/99/39/35/705993935.db2.gz DDKLQQRMDXAFMP-NRXISQOPSA-N 1 3 336.867 1.908 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763964 706205322 /nfs/dbraw/zinc/20/53/22/706205322.db2.gz QJYHSAIWZCQFHE-LEOMRAHMSA-N 1 3 345.491 1.737 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763964 706205325 /nfs/dbraw/zinc/20/53/25/706205325.db2.gz QJYHSAIWZCQFHE-LEOMRAHMSA-N 1 3 345.491 1.737 20 0 EDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999364347 706878344 /nfs/dbraw/zinc/87/83/44/706878344.db2.gz MPOPJIVIPKSZIN-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO CCc1noc(C)c1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999371007 706885244 /nfs/dbraw/zinc/88/52/44/706885244.db2.gz MOJHKWHCFAPRKU-CRAIPNDOSA-N 1 3 348.491 1.966 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC000999510726 707009241 /nfs/dbraw/zinc/00/92/41/707009241.db2.gz YZVDBTHWSCKSNQ-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO O=C(N1CCC[C@@H](NCc2cncs2)C1)C12CCC[NH+]1CCC2 ZINC000999597935 707100459 /nfs/dbraw/zinc/10/04/59/707100459.db2.gz SGTWCXAGSRGXFM-CQSZACIVSA-N 1 3 334.489 1.852 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876626 707524419 /nfs/dbraw/zinc/52/44/19/707524419.db2.gz PXSIHNFXYCVKPL-ABHNRTSZSA-N 1 3 347.507 1.416 20 0 EDADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC001033395843 707733938 /nfs/dbraw/zinc/73/39/38/707733938.db2.gz KRFCIRVYJQHAJJ-RBUKOAKNSA-N 1 3 345.487 1.595 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833572 /nfs/dbraw/zinc/83/35/72/707833572.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 1 3 329.435 1.906 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833577 /nfs/dbraw/zinc/83/35/77/707833577.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 1 3 329.435 1.906 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033591036 708288306 /nfs/dbraw/zinc/28/83/06/708288306.db2.gz SESOWAAVVGBNHS-LSDHHAIUSA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033591036 708288308 /nfs/dbraw/zinc/28/83/08/708288308.db2.gz SESOWAAVVGBNHS-LSDHHAIUSA-N 1 3 334.464 1.647 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831888 708357464 /nfs/dbraw/zinc/35/74/64/708357464.db2.gz BFXZTJUHYBTEMO-APWZRJJASA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001831888 708357468 /nfs/dbraw/zinc/35/74/68/708357468.db2.gz BFXZTJUHYBTEMO-APWZRJJASA-N 1 3 344.503 1.916 20 0 EDADHO COc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033663471 708443620 /nfs/dbraw/zinc/44/36/20/708443620.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 1 3 345.487 1.988 20 0 EDADHO COc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033663471 708443623 /nfs/dbraw/zinc/44/36/23/708443623.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 1 3 345.487 1.988 20 0 EDADHO Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033662167 708477064 /nfs/dbraw/zinc/47/70/64/708477064.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 1 3 336.505 1.478 20 0 EDADHO Cc1ncsc1CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033662167 708477066 /nfs/dbraw/zinc/47/70/66/708477066.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 1 3 336.505 1.478 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(CCO)C1 ZINC001033837629 708867139 /nfs/dbraw/zinc/86/71/39/708867139.db2.gz TXLRVXYDOXAUIQ-AEFFLSMTSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(CCO)C1 ZINC001033837629 708867143 /nfs/dbraw/zinc/86/71/43/708867143.db2.gz TXLRVXYDOXAUIQ-AEFFLSMTSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033907999 709040960 /nfs/dbraw/zinc/04/09/60/709040960.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 1 3 335.492 1.428 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907999 709040964 /nfs/dbraw/zinc/04/09/64/709040964.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 1 3 335.492 1.428 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033907998 709041158 /nfs/dbraw/zinc/04/11/58/709041158.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 1 3 335.492 1.428 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033907998 709041163 /nfs/dbraw/zinc/04/11/63/709041163.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 1 3 335.492 1.428 20 0 EDADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001034013790 709228445 /nfs/dbraw/zinc/22/84/45/709228445.db2.gz WUYZGDLJVZMSGS-MAUKXSAKSA-N 1 3 337.508 1.412 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034044436 709296463 /nfs/dbraw/zinc/29/64/63/709296463.db2.gz BABVXDGDAPLWJQ-QAPCUYQASA-N 1 3 333.476 1.665 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001034044436 709296466 /nfs/dbraw/zinc/29/64/66/709296466.db2.gz BABVXDGDAPLWJQ-QAPCUYQASA-N 1 3 333.476 1.665 20 0 EDADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332017 710256627 /nfs/dbraw/zinc/25/66/27/710256627.db2.gz JUXLSUHKQVAAEG-GEMJLEDKSA-N 1 3 339.455 1.178 20 0 EDADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631131 710460406 /nfs/dbraw/zinc/46/04/06/710460406.db2.gz RKFLATWWRKMINZ-DLBZAZTESA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735291 710919914 /nfs/dbraw/zinc/91/99/14/710919914.db2.gz DZBOHXACZAAUOY-MHORFTMASA-N 1 3 337.508 1.914 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC001034748078 710954742 /nfs/dbraw/zinc/95/47/42/710954742.db2.gz NMCCHMUVVSYTOX-QAQDUYKDSA-N 1 3 347.507 1.669 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001003976976 711147793 /nfs/dbraw/zinc/14/77/93/711147793.db2.gz UWCNOHDDDHZRML-GOSISDBHSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)C1 ZINC001003976976 711147796 /nfs/dbraw/zinc/14/77/96/711147796.db2.gz UWCNOHDDDHZRML-GOSISDBHSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCc3ccns3)CC2)C1 ZINC001003977948 711152204 /nfs/dbraw/zinc/15/22/04/711152204.db2.gz ZXDZNUIHWBXGIU-CQSZACIVSA-N 1 3 336.505 1.608 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCc3ccns3)CC2)C1 ZINC001003977948 711152207 /nfs/dbraw/zinc/15/22/07/711152207.db2.gz ZXDZNUIHWBXGIU-CQSZACIVSA-N 1 3 336.505 1.608 20 0 EDADHO CCn1ccc(CNC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957176 711428290 /nfs/dbraw/zinc/42/82/90/711428290.db2.gz LPTIFYBWDKNRDW-MRXNPFEDSA-N 1 3 333.480 1.468 20 0 EDADHO Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C1(F)CCOCC1 ZINC001034957140 711428325 /nfs/dbraw/zinc/42/83/25/711428325.db2.gz YXYJPLGPVXCHDB-MRXNPFEDSA-N 1 3 335.423 1.989 20 0 EDADHO Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957843 711430301 /nfs/dbraw/zinc/43/03/01/711430301.db2.gz LRUSDWFBWBDVQB-GOSISDBHSA-N 1 3 330.476 1.955 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232993 /nfs/dbraw/zinc/23/29/93/306232993.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232994 /nfs/dbraw/zinc/23/29/94/306232994.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 1 3 345.487 1.736 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000166852608 530050583 /nfs/dbraw/zinc/05/05/83/530050583.db2.gz BKKOLRUDLYRDFQ-INIZCTEOSA-N 1 3 346.475 1.900 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418755119 303986835 /nfs/dbraw/zinc/98/68/35/303986835.db2.gz XEXOTKLZOKAZDH-KGLIPLIRSA-N 1 3 330.423 1.644 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700349 /nfs/dbraw/zinc/70/03/49/539700349.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 1 3 343.519 1.940 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700353 /nfs/dbraw/zinc/70/03/53/539700353.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 1 3 343.519 1.940 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989716 539772492 /nfs/dbraw/zinc/77/24/92/539772492.db2.gz PKRKPIYPHXSKLM-CVEARBPZSA-N 1 3 340.512 1.214 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000562707368 306306627 /nfs/dbraw/zinc/30/66/27/306306627.db2.gz LQRQAQAVFVODCG-NXHRZFHOSA-N 1 3 337.508 1.769 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487302151 540024106 /nfs/dbraw/zinc/02/41/06/540024106.db2.gz QVJJPEAYCCHBQK-UHFFFAOYSA-N 1 3 338.521 1.500 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H]2Cc3cccc(O)c3C2)CC1 ZINC000563207771 306323578 /nfs/dbraw/zinc/32/35/78/306323578.db2.gz BMVPMLLKLBDLGM-INIZCTEOSA-N 1 3 331.460 1.438 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000357940884 283061569 /nfs/dbraw/zinc/06/15/69/283061569.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 1 3 336.524 1.393 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000357940884 283061574 /nfs/dbraw/zinc/06/15/74/283061574.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 1 3 336.524 1.393 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723766 291049394 /nfs/dbraw/zinc/04/93/94/291049394.db2.gz BBVKOWWUXAESCO-CVEARBPZSA-N 1 3 339.480 1.237 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000563559454 306338860 /nfs/dbraw/zinc/33/88/60/306338860.db2.gz LAXBHYMAEXGREJ-OAHLLOKOSA-N 1 3 340.537 1.789 20 0 EDADHO CC[NH2+]CCCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000563584632 306339941 /nfs/dbraw/zinc/33/99/41/306339941.db2.gz SSSAFIHCVIAUAG-QGZVFWFLSA-N 1 3 334.464 1.052 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000119098379 138313593 /nfs/dbraw/zinc/31/35/93/138313593.db2.gz NCRZACSKUUKGLF-JZXOWHBKSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CCC3OCCO3)CC2)C[C@H](C)O1 ZINC000124579365 138327905 /nfs/dbraw/zinc/32/79/05/138327905.db2.gz WOIQDPKCHWYTOJ-IYBDPMFKSA-N 1 3 326.481 1.961 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000564651341 306362085 /nfs/dbraw/zinc/36/20/85/306362085.db2.gz INGPTAJEFMLJMX-IBGZPJMESA-N 1 3 349.519 1.659 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CN1CCOCC1 ZINC000564722817 306363659 /nfs/dbraw/zinc/36/36/59/306363659.db2.gz SMGBVNRXFNNCRX-LJQANCHMSA-N 1 3 333.476 1.065 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000564831006 306366029 /nfs/dbraw/zinc/36/60/29/306366029.db2.gz YQUCEUBQKOCESN-ZBFHGGJFSA-N 1 3 342.447 1.195 20 0 EDADHO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCCN(C2CCOCC2)CC1 ZINC000370773235 296069083 /nfs/dbraw/zinc/06/90/83/296069083.db2.gz NQMODOIBVNVTRD-JQHSSLGASA-N 1 3 335.492 1.620 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)C[C@H]1c1ccccc1F ZINC000566209078 306403816 /nfs/dbraw/zinc/40/38/16/306403816.db2.gz OILLYCIUVLQOEV-JENIJYKNSA-N 1 3 339.414 1.966 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC[C@H]2C)c1 ZINC000414698004 304128902 /nfs/dbraw/zinc/12/89/02/304128902.db2.gz HIHZHJDFIRTDMW-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(C[C@@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000414705389 304130197 /nfs/dbraw/zinc/13/01/97/304130197.db2.gz WYXWSIDHNMDPBJ-CEXWTWQISA-N 1 3 347.503 1.432 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000414731735 304134270 /nfs/dbraw/zinc/13/42/70/304134270.db2.gz AQGZQKDMYWLQKC-RBSFLKMASA-N 1 3 346.475 1.881 20 0 EDADHO C[C@@H](NCCCS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000268930149 296124644 /nfs/dbraw/zinc/12/46/44/296124644.db2.gz SMZDNEPHYONUGF-CQSZACIVSA-N 1 3 328.478 1.712 20 0 EDADHO N[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)C[C@H]1c1ccccc1F ZINC000566857591 306430977 /nfs/dbraw/zinc/43/09/77/306430977.db2.gz VEUGQGSBDVXYSY-WCQYABFASA-N 1 3 334.420 1.350 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000415120094 304161330 /nfs/dbraw/zinc/16/13/30/304161330.db2.gz ILVXHGQJFAZPEZ-UHFFFAOYSA-N 1 3 332.448 1.289 20 0 EDADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415144586 304164276 /nfs/dbraw/zinc/16/42/76/304164276.db2.gz CHEPHENGEYZGDJ-IRXDYDNUSA-N 1 3 342.443 1.314 20 0 EDADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415144586 304164278 /nfs/dbraw/zinc/16/42/78/304164278.db2.gz CHEPHENGEYZGDJ-IRXDYDNUSA-N 1 3 342.443 1.314 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415153297 304166160 /nfs/dbraw/zinc/16/61/60/304166160.db2.gz CPJCTRIMGLUFKO-CVEARBPZSA-N 1 3 344.459 1.430 20 0 EDADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000236988826 139037421 /nfs/dbraw/zinc/03/74/21/139037421.db2.gz BQCDLXWFNQLYSS-CRAIPNDOSA-N 1 3 332.492 1.424 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237215213 139044619 /nfs/dbraw/zinc/04/46/19/139044619.db2.gz NDFUXLZRGHJWJW-HXUWFJFHSA-N 1 3 344.503 1.582 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462561 306452821 /nfs/dbraw/zinc/45/28/21/306452821.db2.gz OLACORNWFKMKME-MELADBBJSA-N 1 3 343.518 1.476 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NCC1(N2CCSCC2)CCCC1 ZINC000238051098 139067726 /nfs/dbraw/zinc/06/77/26/139067726.db2.gz HXWAPCLPGGIKQH-CQSZACIVSA-N 1 3 343.562 1.559 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000415263520 304181040 /nfs/dbraw/zinc/18/10/40/304181040.db2.gz HRPJUVIUPAMUJO-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415385400 304210771 /nfs/dbraw/zinc/21/07/71/304210771.db2.gz VZBZAADRXUETAV-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CCOC1CC(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989358 139182504 /nfs/dbraw/zinc/18/25/04/139182504.db2.gz MYYLONNYAFOKOH-BMHOQUIDSA-N 1 3 339.524 1.576 20 0 EDADHO CCOC1CC(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989358 139182505 /nfs/dbraw/zinc/18/25/05/139182505.db2.gz MYYLONNYAFOKOH-BMHOQUIDSA-N 1 3 339.524 1.576 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000261604357 139210102 /nfs/dbraw/zinc/21/01/02/139210102.db2.gz ACZBOORPMUZDAY-RLFYNMQTSA-N 1 3 325.497 1.754 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H](CN)C2CC2)c1)C1CC1 ZINC000415453320 304221975 /nfs/dbraw/zinc/22/19/75/304221975.db2.gz MXSPWKOPPMEWFF-QGZVFWFLSA-N 1 3 344.459 1.115 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H](CN)C2CC2)c1)C1CC1 ZINC000415453320 304221977 /nfs/dbraw/zinc/22/19/77/304221977.db2.gz MXSPWKOPPMEWFF-QGZVFWFLSA-N 1 3 344.459 1.115 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261904227 139235525 /nfs/dbraw/zinc/23/55/25/139235525.db2.gz FMUJQDARXCHIQL-GOSISDBHSA-N 1 3 343.471 1.972 20 0 EDADHO N[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000261913504 139236501 /nfs/dbraw/zinc/23/65/01/139236501.db2.gz XXQGGZORRKPERF-SFHVURJKSA-N 1 3 331.460 1.653 20 0 EDADHO CCOc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OCC ZINC000262087867 139249776 /nfs/dbraw/zinc/24/97/76/139249776.db2.gz GIXDUIKJRQWZSE-QGZVFWFLSA-N 1 3 333.476 1.964 20 0 EDADHO COc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000414981756 250910126 /nfs/dbraw/zinc/91/01/26/250910126.db2.gz BZPIDUYZMPVPAO-BEFAXECRSA-N 1 3 347.459 1.440 20 0 EDADHO COC[C@@]1(CNC(=O)Nc2ccccc2CCN(C)C)CCC[NH2+]1 ZINC000415559857 251013085 /nfs/dbraw/zinc/01/30/85/251013085.db2.gz FIHWELIYMNTBCI-SFHVURJKSA-N 1 3 334.464 1.681 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417542853 251184344 /nfs/dbraw/zinc/18/43/44/251184344.db2.gz FBHHCPSEYVQOIQ-UKRRQHHQSA-N 1 3 326.485 1.173 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562375 251188589 /nfs/dbraw/zinc/18/85/89/251188589.db2.gz FTMBSQYFQOSLPP-HNNXBMFYSA-N 1 3 326.485 1.448 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000417494121 251178917 /nfs/dbraw/zinc/17/89/17/251178917.db2.gz OYIOWZUGQHBRBL-UXLLHSPISA-N 1 3 336.480 1.731 20 0 EDADHO C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)N(C)Cc1ccccc1 ZINC000417587597 251200313 /nfs/dbraw/zinc/20/03/13/251200313.db2.gz OAAORXMUMWISCJ-DOTOQJQBSA-N 1 3 334.464 1.266 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731065 251246029 /nfs/dbraw/zinc/24/60/29/251246029.db2.gz FGTZJXVKQSBVSP-AIANPOQGSA-N 1 3 348.516 1.992 20 0 EDADHO CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@@H](N)c1ccccc1 ZINC000417836438 251292009 /nfs/dbraw/zinc/29/20/09/251292009.db2.gz ORSZRWFQBBREFB-IRXDYDNUSA-N 1 3 345.487 1.927 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417804924 251276684 /nfs/dbraw/zinc/27/66/84/251276684.db2.gz GWZXPINXFCWPBW-GJZGRUSLSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813890 251280495 /nfs/dbraw/zinc/28/04/95/251280495.db2.gz AMTBHWDDTPBSHW-GDAAHCPNSA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)CN1C1CC1 ZINC000417858334 251300596 /nfs/dbraw/zinc/30/05/96/251300596.db2.gz PKKMZZZVKQCACU-WBVHZDCISA-N 1 3 330.476 1.825 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135076 251338670 /nfs/dbraw/zinc/33/86/70/251338670.db2.gz HIRXSGHTLDFUBE-FUHWJXTLSA-N 1 3 330.476 1.887 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000418198252 251354953 /nfs/dbraw/zinc/35/49/53/251354953.db2.gz VALBUWKVXNIDFU-QXCFHYIPSA-N 1 3 342.487 1.900 20 0 EDADHO COCC1(CNC(=O)NC[C@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000418639597 251382700 /nfs/dbraw/zinc/38/27/00/251382700.db2.gz NAVZNGLSFFFOPW-QGZVFWFLSA-N 1 3 346.475 1.189 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262625309 139291087 /nfs/dbraw/zinc/29/10/87/139291087.db2.gz BHIFWESWGFXJPT-DOTOQJQBSA-N 1 3 344.459 1.465 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000262654105 139293411 /nfs/dbraw/zinc/29/34/11/139293411.db2.gz SQUZSYYTHLGXMX-IYBDPMFKSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262665420 139294548 /nfs/dbraw/zinc/29/45/48/139294548.db2.gz JKLUDXKCVUFTJD-KFKAGJAMSA-N 1 3 347.503 1.922 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000262651595 139293074 /nfs/dbraw/zinc/29/30/74/139293074.db2.gz RELKWSREVDZEIW-MOPGFXCFSA-N 1 3 344.503 1.438 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415590260 304234375 /nfs/dbraw/zinc/23/43/75/304234375.db2.gz ZXUFYRFPECCMJI-BHYGNILZSA-N 1 3 344.459 1.273 20 0 EDADHO [NH3+]C[C@H](NC(=O)c1[nH]nc2c1CNCC2)c1ccc2ccccc2c1 ZINC000262731008 139299622 /nfs/dbraw/zinc/29/96/22/139299622.db2.gz HZNGBRKPELXDBF-KRWDZBQOSA-N 1 3 335.411 1.638 20 0 EDADHO CCN1CCN(Cc2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422891476 252014168 /nfs/dbraw/zinc/01/41/68/252014168.db2.gz KRXHJTPWPFWMQJ-PXNSSMCTSA-N 1 3 330.520 1.912 20 0 EDADHO N[C@@H]1C[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)c2ccccc21 ZINC000422896403 252015850 /nfs/dbraw/zinc/01/58/50/252015850.db2.gz AAROQXMSHFOJOK-SQNIBIBYSA-N 1 3 333.501 1.929 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415602021 304236896 /nfs/dbraw/zinc/23/68/96/304236896.db2.gz QNUIMODDTSQTKR-CQSZACIVSA-N 1 3 332.448 1.117 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063035 252032219 /nfs/dbraw/zinc/03/22/19/252032219.db2.gz OGALMCFQZAZACA-LSDHHAIUSA-N 1 3 336.480 1.738 20 0 EDADHO C[C@@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180963 252043864 /nfs/dbraw/zinc/04/38/64/252043864.db2.gz LAFMKPUABNFQDR-BEFAXECRSA-N 1 3 344.503 1.614 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000423897680 252104059 /nfs/dbraw/zinc/10/40/59/252104059.db2.gz OVYAYTGPPBMVKU-MAUKXSAKSA-N 1 3 331.460 1.948 20 0 EDADHO Cc1cc(CN)cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000424435000 252230120 /nfs/dbraw/zinc/23/01/20/252230120.db2.gz KNPYVILIZOZLJG-UHFFFAOYSA-N 1 3 334.464 1.764 20 0 EDADHO Cc1cc(CN)cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000424435000 252230124 /nfs/dbraw/zinc/23/01/24/252230124.db2.gz KNPYVILIZOZLJG-UHFFFAOYSA-N 1 3 334.464 1.764 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058662 /nfs/dbraw/zinc/05/86/62/285058662.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058664 /nfs/dbraw/zinc/05/86/64/285058664.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 1 3 340.512 1.517 20 0 EDADHO COCC[C@]1(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]C1 ZINC000430799075 254515007 /nfs/dbraw/zinc/51/50/07/254515007.db2.gz KIOJUKWSJWWHJH-LJQANCHMSA-N 1 3 345.487 1.218 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCOCCN(C)C)C1 ZINC000471646271 255015466 /nfs/dbraw/zinc/01/54/66/255015466.db2.gz ULJJPEZWXWQQJT-HOTGVXAUSA-N 1 3 328.501 1.232 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494182859 255241589 /nfs/dbraw/zinc/24/15/89/255241589.db2.gz NKNVMXRNNBSDSA-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO CN(C[C@@H](O)CN1CCC(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496344206 255384044 /nfs/dbraw/zinc/38/40/44/255384044.db2.gz PUJBXMHEESLQCF-MRXNPFEDSA-N 1 3 343.512 1.878 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358817309 285270471 /nfs/dbraw/zinc/27/04/71/285270471.db2.gz BTWITVGAAQNJLG-CABCVRRESA-N 1 3 340.512 1.022 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453630 285276967 /nfs/dbraw/zinc/27/69/67/285276967.db2.gz XVMDOGJHDRSECT-GJZGRUSLSA-N 1 3 327.469 1.060 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453630 285276971 /nfs/dbraw/zinc/27/69/71/285276971.db2.gz XVMDOGJHDRSECT-GJZGRUSLSA-N 1 3 327.469 1.060 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048504 285315115 /nfs/dbraw/zinc/31/51/15/285315115.db2.gz FIFMWBMJMLYOCY-PKOBYXMFSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753078 285319924 /nfs/dbraw/zinc/31/99/24/285319924.db2.gz NXFZEMCVYNMXKI-SJORKVTESA-N 1 3 341.544 1.275 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN[C@H](C)C3)CC2)c1 ZINC000155172880 224370620 /nfs/dbraw/zinc/37/06/20/224370620.db2.gz OTFWXXDQBIKJGD-QGZVFWFLSA-N 1 3 330.476 1.327 20 0 EDADHO CN1CC[C@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299744 /nfs/dbraw/zinc/29/97/44/304299744.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 1 3 343.471 1.366 20 0 EDADHO CN1CC[C@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299746 /nfs/dbraw/zinc/29/97/46/304299746.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 1 3 343.471 1.366 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)N(C)C ZINC000271223543 140259443 /nfs/dbraw/zinc/25/94/43/140259443.db2.gz BNOSNPNCTZOCBF-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000333926219 141411582 /nfs/dbraw/zinc/41/15/82/141411582.db2.gz VGKABDOXTOFQHZ-HSFUPAIVSA-N 1 3 328.460 1.511 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)C[C@@H](C)[NH3+])CC2)c1 ZINC000340184150 142295230 /nfs/dbraw/zinc/29/52/30/142295230.db2.gz QASYVQLJAPDANT-QGZVFWFLSA-N 1 3 332.492 1.751 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345682029 143120890 /nfs/dbraw/zinc/12/08/90/143120890.db2.gz AHOMEPNFNWKRJJ-AWEZNQCLSA-N 1 3 329.391 1.268 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000346671582 143229634 /nfs/dbraw/zinc/22/96/34/143229634.db2.gz JYWJWYACTCGPQD-UHFFFAOYSA-N 1 3 329.448 1.906 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)N(C)C1 ZINC000346915977 143260428 /nfs/dbraw/zinc/26/04/28/143260428.db2.gz RXMIRLVJDOMSSK-BRWVUGGUSA-N 1 3 340.512 1.467 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049660 143276510 /nfs/dbraw/zinc/27/65/10/143276510.db2.gz NOLHZZSCUUEPAZ-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572857656 306601605 /nfs/dbraw/zinc/60/16/05/306601605.db2.gz LSHXDYLLTXPOMS-GOSISDBHSA-N 1 3 331.464 1.346 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000416800343 304349458 /nfs/dbraw/zinc/34/94/58/304349458.db2.gz FNPQOGRWBWINCC-AEFFLSMTSA-N 1 3 334.464 1.357 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000416840313 304350703 /nfs/dbraw/zinc/35/07/03/304350703.db2.gz LBLFZYCUFPBSBC-IKGGRYGDSA-N 1 3 334.464 1.044 20 0 EDADHO CO[C@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000416894265 304353829 /nfs/dbraw/zinc/35/38/29/304353829.db2.gz SDLZVYKCNJYZDF-SJORKVTESA-N 1 3 334.464 1.396 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000416973274 304358311 /nfs/dbraw/zinc/35/83/11/304358311.db2.gz JPMXRNDLNNFIOL-MRXNPFEDSA-N 1 3 339.528 1.090 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000416979349 304360137 /nfs/dbraw/zinc/36/01/37/304360137.db2.gz XBNJFAGXPHKYEZ-UHFFFAOYSA-N 1 3 336.480 1.753 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000416977442 304359761 /nfs/dbraw/zinc/35/97/61/304359761.db2.gz PSBZHPBCDMSAHF-GOSISDBHSA-N 1 3 344.503 1.992 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360978 150234004 /nfs/dbraw/zinc/23/40/04/150234004.db2.gz HJKKCTSQYYUDJI-MSOLQXFVSA-N 1 3 331.460 1.683 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000573680910 306629480 /nfs/dbraw/zinc/62/94/80/306629480.db2.gz IDCQLQXJLFFAQV-KURKYZTESA-N 1 3 336.524 1.247 20 0 EDADHO CCN1CCC[C@@H](NC(=O)N(CCOC)CC[NH+](CC)CC)C1 ZINC000356224805 150558906 /nfs/dbraw/zinc/55/89/06/150558906.db2.gz OCGJGXQWRQNROG-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064204 304368307 /nfs/dbraw/zinc/36/83/07/304368307.db2.gz ABYKRWHITJELEE-ZJPYXAASSA-N 1 3 328.460 1.750 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064204 304368309 /nfs/dbraw/zinc/36/83/09/304368309.db2.gz ABYKRWHITJELEE-ZJPYXAASSA-N 1 3 328.460 1.750 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN(C)CC1 ZINC000357734844 151131303 /nfs/dbraw/zinc/13/13/03/151131303.db2.gz WXGOOHFXZQPYHW-GJZGRUSLSA-N 1 3 340.537 1.740 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN(C)CC1 ZINC000357734844 151131305 /nfs/dbraw/zinc/13/13/05/151131305.db2.gz WXGOOHFXZQPYHW-GJZGRUSLSA-N 1 3 340.537 1.740 20 0 EDADHO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000361108296 152307599 /nfs/dbraw/zinc/30/75/99/152307599.db2.gz BYCMXKWVKFMNKQ-DLBZAZTESA-N 1 3 335.492 1.998 20 0 EDADHO C[C@@H](C(=O)N(C)C)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190821 155369862 /nfs/dbraw/zinc/36/98/62/155369862.db2.gz JERKVHNIRRNLAQ-INIZCTEOSA-N 1 3 338.540 1.591 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000417201602 304384202 /nfs/dbraw/zinc/38/42/02/304384202.db2.gz WSIBFNXPRHFICE-JQHSSLGASA-N 1 3 332.492 1.928 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189842 /nfs/dbraw/zinc/18/98/42/154189842.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2cc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189846 /nfs/dbraw/zinc/18/98/46/154189846.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2cc(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189850 /nfs/dbraw/zinc/18/98/50/154189850.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 1 3 343.519 1.796 20 0 EDADHO OC[C@@]1(F)CCCN(CCCCC[N@@H+]2CCC[C@@](F)(CO)C2)C1 ZINC000367867171 154304935 /nfs/dbraw/zinc/30/49/35/154304935.db2.gz XGBXPZKPNVCUQL-CALCHBBNSA-N 1 3 334.451 1.750 20 0 EDADHO OC[C@@]1(F)CCCN(CCCCC[N@H+]2CCC[C@@](F)(CO)C2)C1 ZINC000367867171 154304937 /nfs/dbraw/zinc/30/49/37/154304937.db2.gz XGBXPZKPNVCUQL-CALCHBBNSA-N 1 3 334.451 1.750 20 0 EDADHO OC[C@@]1(F)CCC[N@@H+](CCCCCN2CCC[C@@](F)(CO)C2)C1 ZINC000367867171 154304938 /nfs/dbraw/zinc/30/49/38/154304938.db2.gz XGBXPZKPNVCUQL-CALCHBBNSA-N 1 3 334.451 1.750 20 0 EDADHO OC[C@@]1(F)CCC[N@H+](CCCCCN2CCC[C@@](F)(CO)C2)C1 ZINC000367867171 154304940 /nfs/dbraw/zinc/30/49/40/154304940.db2.gz XGBXPZKPNVCUQL-CALCHBBNSA-N 1 3 334.451 1.750 20 0 EDADHO C[C@@H](NC(=O)NCc1ccccc1OCCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000417355807 304394456 /nfs/dbraw/zinc/39/44/56/304394456.db2.gz DWWDCYVYZZFDEZ-CVEARBPZSA-N 1 3 348.491 1.814 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000417524020 304402979 /nfs/dbraw/zinc/40/29/79/304402979.db2.gz ITQWNORABKVJIF-INIZCTEOSA-N 1 3 334.464 1.221 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000417545228 304404383 /nfs/dbraw/zinc/40/43/83/304404383.db2.gz IRTFGERGDAZPKA-CQSZACIVSA-N 1 3 326.485 1.175 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCSC3)CC2)CC1 ZINC000374116887 157149035 /nfs/dbraw/zinc/14/90/35/157149035.db2.gz BQADNGFCWGVRHS-AWEZNQCLSA-N 1 3 326.510 1.350 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932589 158032831 /nfs/dbraw/zinc/03/28/31/158032831.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 1 3 329.460 1.426 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932589 158032833 /nfs/dbraw/zinc/03/28/33/158032833.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 1 3 329.460 1.426 20 0 EDADHO COCC[C@]1(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000378212947 158112011 /nfs/dbraw/zinc/11/20/11/158112011.db2.gz XNLDTIRWYIXWQW-LJQANCHMSA-N 1 3 349.475 1.259 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000352208721 162052299 /nfs/dbraw/zinc/05/22/99/162052299.db2.gz SFKDTKJNTABUIF-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000352212785 162053371 /nfs/dbraw/zinc/05/33/71/162053371.db2.gz BWRWNOSIENICQV-CVEARBPZSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000352550696 162247556 /nfs/dbraw/zinc/24/75/56/162247556.db2.gz PEISLKDQVBUGMI-KRWDZBQOSA-N 1 3 335.492 1.303 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418190063 304462585 /nfs/dbraw/zinc/46/25/85/304462585.db2.gz IVWXMISIYQGPHY-GOSISDBHSA-N 1 3 349.479 1.211 20 0 EDADHO C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000074109228 287267544 /nfs/dbraw/zinc/26/75/44/287267544.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)CN1CCN(C)CC1 ZINC000074109228 287267546 /nfs/dbraw/zinc/26/75/46/287267546.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N(C)C ZINC000121980918 287376496 /nfs/dbraw/zinc/37/64/96/287376496.db2.gz PNCWOJNRDVVYLV-IKGGRYGDSA-N 1 3 325.497 1.457 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424141264 287390899 /nfs/dbraw/zinc/39/08/99/287390899.db2.gz CINYXSDNPOLTQS-RBSFLKMASA-N 1 3 334.468 1.195 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418359036 304485432 /nfs/dbraw/zinc/48/54/32/304485432.db2.gz RXPWBAYSBCOAAX-DLBZAZTESA-N 1 3 334.464 1.569 20 0 EDADHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000122211264 222037655 /nfs/dbraw/zinc/03/76/55/222037655.db2.gz UOZIFBVDNXJOFZ-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000122211264 222037660 /nfs/dbraw/zinc/03/76/60/222037660.db2.gz UOZIFBVDNXJOFZ-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cn3)CC2)CC1 ZINC000122409796 222080814 /nfs/dbraw/zinc/08/08/14/222080814.db2.gz IYWGLZXPNACDHM-UHFFFAOYSA-N 1 3 335.427 1.901 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CCCO)C1 ZINC000665764225 452349224 /nfs/dbraw/zinc/34/92/24/452349224.db2.gz YKUNCDJHRGGBTA-JKSUJKDBSA-N 1 3 328.501 1.062 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](C)CO1 ZINC000665763641 452350025 /nfs/dbraw/zinc/35/00/25/452350025.db2.gz HSLFARIWSDKDHK-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](C)CO1 ZINC000665763641 452350032 /nfs/dbraw/zinc/35/00/32/452350032.db2.gz HSLFARIWSDKDHK-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275932563 268384879 /nfs/dbraw/zinc/38/48/79/268384879.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 1 3 330.476 1.989 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275932563 268384880 /nfs/dbraw/zinc/38/48/80/268384880.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 1 3 330.476 1.989 20 0 EDADHO CN1CC=C(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276120656 268398579 /nfs/dbraw/zinc/39/85/79/268398579.db2.gz GJVDECVVDCTBPW-UHFFFAOYSA-N 1 3 330.476 1.852 20 0 EDADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000269230484 276199478 /nfs/dbraw/zinc/19/94/78/276199478.db2.gz CTORYYKPQJXBHK-RCCFBDPRSA-N 1 3 331.460 1.299 20 0 EDADHO CCN(CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345925 /nfs/dbraw/zinc/34/59/25/276345925.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO CCN(CCNC(=O)N1CCC[N@H+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345926 /nfs/dbraw/zinc/34/59/26/276345926.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469765 277226331 /nfs/dbraw/zinc/22/63/31/277226331.db2.gz NKZFCLUVFBWAIO-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO C[NH2+]CCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000286319992 287981053 /nfs/dbraw/zinc/98/10/53/287981053.db2.gz YIYCGQQOLVFBKP-QGZVFWFLSA-N 1 3 345.491 1.052 20 0 EDADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@@H]1CCCCN1 ZINC000423170126 288037457 /nfs/dbraw/zinc/03/74/57/288037457.db2.gz LASIUYDVQGHAIN-IRXDYDNUSA-N 1 3 325.497 1.378 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]1 ZINC000262385775 278472758 /nfs/dbraw/zinc/47/27/58/278472758.db2.gz MAPCUAAXVDXAGE-GJZGRUSLSA-N 1 3 325.522 1.852 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)CNC[C@H]1CCCO1)c1ccccc1 ZINC000159118845 279145918 /nfs/dbraw/zinc/14/59/18/279145918.db2.gz VEFVOMNJBYMNBO-MSOLQXFVSA-N 1 3 333.476 1.954 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363230947 279160616 /nfs/dbraw/zinc/16/06/16/279160616.db2.gz NNFFORBLRSKVOS-MRXNPFEDSA-N 1 3 335.496 1.829 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108192 279320560 /nfs/dbraw/zinc/32/05/60/279320560.db2.gz JUNLBTGBXCYLAA-YESZJQIVSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCSC1 ZINC000361916395 279328957 /nfs/dbraw/zinc/32/89/57/279328957.db2.gz QCCCVTUGOCZDJH-HOTGVXAUSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCSC1 ZINC000361916395 279328958 /nfs/dbraw/zinc/32/89/58/279328958.db2.gz QCCCVTUGOCZDJH-HOTGVXAUSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1(C)C ZINC000458959101 279329059 /nfs/dbraw/zinc/32/90/59/279329059.db2.gz UETHYTCTTWXEPB-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCOC1(C)C ZINC000458959101 279329060 /nfs/dbraw/zinc/32/90/60/279329060.db2.gz UETHYTCTTWXEPB-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)C1(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728979 282038133 /nfs/dbraw/zinc/03/81/33/282038133.db2.gz BNBQMMFAJMCLGL-ROUUACIJSA-N 1 3 344.503 1.902 20 0 EDADHO CO[C@H](CN)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000290030707 288825292 /nfs/dbraw/zinc/82/52/92/288825292.db2.gz RVZSAJFAHOMWSE-RLFYNMQTSA-N 1 3 333.476 1.754 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000290067655 288832937 /nfs/dbraw/zinc/83/29/37/288832937.db2.gz VWOJVOGEVCVEBR-ZFWWWQNUSA-N 1 3 335.448 1.513 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000291682668 289149277 /nfs/dbraw/zinc/14/92/77/289149277.db2.gz RLBJKGMUQDSGQB-LJQANCHMSA-N 1 3 330.476 1.985 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000291682668 289149281 /nfs/dbraw/zinc/14/92/81/289149281.db2.gz RLBJKGMUQDSGQB-LJQANCHMSA-N 1 3 330.476 1.985 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000292549206 289378515 /nfs/dbraw/zinc/37/85/15/289378515.db2.gz QSHRBNYXXFKPGW-JMQWPVDRSA-N 1 3 330.432 1.799 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418514615 304506783 /nfs/dbraw/zinc/50/67/83/304506783.db2.gz WZYHISYIYVABTF-OAHLLOKOSA-N 1 3 342.871 1.478 20 0 EDADHO CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCCCC1 ZINC000418834004 304537244 /nfs/dbraw/zinc/53/72/44/304537244.db2.gz LNRYTYBEFXHPMW-UHFFFAOYSA-N 1 3 338.496 1.145 20 0 EDADHO O[C@@H](COc1ccccc1)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420308613 304747500 /nfs/dbraw/zinc/74/75/00/304747500.db2.gz CWIICJNIJGRIGG-QZTJIDSGSA-N 1 3 333.476 1.044 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419642834 447315187 /nfs/dbraw/zinc/31/51/87/447315187.db2.gz GDRNCFYYZNGCRZ-ZBFHGGJFSA-N 1 3 348.491 1.332 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000293972741 303046385 /nfs/dbraw/zinc/04/63/85/303046385.db2.gz UVYLKQHGOPRVPY-ZWKOTPCHSA-N 1 3 331.460 1.683 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000294115028 303065021 /nfs/dbraw/zinc/06/50/21/303065021.db2.gz OPGOZKGGVPNUSD-FUHWJXTLSA-N 1 3 345.491 1.227 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CNC)c2)CC1 ZINC000414856411 447330705 /nfs/dbraw/zinc/33/07/05/447330705.db2.gz AARBMTZRGRHFLG-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000414888135 447344942 /nfs/dbraw/zinc/34/49/42/447344942.db2.gz XRIRZIOBZPYVRL-ZDUSSCGKSA-N 1 3 332.448 1.334 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414882931 447342383 /nfs/dbraw/zinc/34/23/83/447342383.db2.gz SOXVCVRVNRNMPQ-BBRMVZONSA-N 1 3 332.448 1.635 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)CCCC[NH3+])C2=O)c1 ZINC000422919227 304880297 /nfs/dbraw/zinc/88/02/97/304880297.db2.gz JGSZBUYYCIMROZ-SUMWQHHRSA-N 1 3 335.448 1.916 20 0 EDADHO COc1ccc(COCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422996045 304882450 /nfs/dbraw/zinc/88/24/50/304882450.db2.gz SBGDAEQZSZXULS-GBESFXJTSA-N 1 3 334.460 1.959 20 0 EDADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(CO)c1 ZINC000423375052 304893658 /nfs/dbraw/zinc/89/36/58/304893658.db2.gz CSJAFEOFXWLGAF-DOMZBBRYSA-N 1 3 331.382 1.666 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989015 305003109 /nfs/dbraw/zinc/00/31/09/305003109.db2.gz RDBCYUQXPHEJRM-RHSMWYFYSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989015 305003110 /nfs/dbraw/zinc/00/31/10/305003110.db2.gz RDBCYUQXPHEJRM-RHSMWYFYSA-N 1 3 343.537 1.511 20 0 EDADHO COc1ccc(CN(C)C(=O)[C@@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430606916 305058393 /nfs/dbraw/zinc/05/83/93/305058393.db2.gz XPKQFHMNDWLXLK-CQSZACIVSA-N 1 3 349.475 1.721 20 0 EDADHO CC(C)(C[NH3+])C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000430721605 305063199 /nfs/dbraw/zinc/06/31/99/305063199.db2.gz CKZCPAOBXVWFSK-UHFFFAOYSA-N 1 3 346.475 1.113 20 0 EDADHO C[C@]1(C(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873422 305066574 /nfs/dbraw/zinc/06/65/74/305066574.db2.gz SLQAPJCMCGWKTO-BEFAXECRSA-N 1 3 344.459 1.322 20 0 EDADHO C[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430928145 305068706 /nfs/dbraw/zinc/06/87/06/305068706.db2.gz SPLIPDYBEAELDV-CQSZACIVSA-N 1 3 349.475 1.640 20 0 EDADHO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000433395209 305107775 /nfs/dbraw/zinc/10/77/75/305107775.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 1 3 338.496 1.437 20 0 EDADHO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1=CCN(C)CC1 ZINC000433395209 305107776 /nfs/dbraw/zinc/10/77/76/305107776.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 1 3 338.496 1.437 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433458683 305110018 /nfs/dbraw/zinc/11/00/18/305110018.db2.gz IGWKKRMEIGODDN-MRXNPFEDSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433458683 305110019 /nfs/dbraw/zinc/11/00/19/305110019.db2.gz IGWKKRMEIGODDN-MRXNPFEDSA-N 1 3 328.501 1.469 20 0 EDADHO Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000434881005 305132268 /nfs/dbraw/zinc/13/22/68/305132268.db2.gz RPGVEIBRPNHMAM-ZDUSSCGKSA-N 1 3 337.493 1.492 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCc1ccc2c(c1)CCO2 ZINC000436051383 305151371 /nfs/dbraw/zinc/15/13/71/305151371.db2.gz AVVZWWDSWDLWJU-QGZVFWFLSA-N 1 3 331.460 1.484 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236236 305154647 /nfs/dbraw/zinc/15/46/47/305154647.db2.gz FCQCRDXLUAVLBW-CYBMUJFWSA-N 1 3 347.488 1.815 20 0 EDADHO COc1ccc(OC)c([C@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066170 305234401 /nfs/dbraw/zinc/23/44/01/305234401.db2.gz DMZNDKDYDUBGNE-LSDHHAIUSA-N 1 3 349.475 1.942 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000443077551 305234722 /nfs/dbraw/zinc/23/47/22/305234722.db2.gz UYPQACJWBHGRDX-GFCCVEGCSA-N 1 3 348.403 1.124 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN2C[C@@H](O)[C@H](OC)C2)CC1 ZINC000449573596 305314110 /nfs/dbraw/zinc/31/41/10/305314110.db2.gz STSAUVGQDNPEJY-RTBURBONSA-N 1 3 333.476 1.410 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451721798 305364575 /nfs/dbraw/zinc/36/45/75/305364575.db2.gz ZBROJWCACWPRAF-SOLBZPMBSA-N 1 3 337.508 1.458 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C(C)(C)C ZINC000458409972 447350526 /nfs/dbraw/zinc/35/05/26/447350526.db2.gz MSQZULGUQAXDCB-JKSUJKDBSA-N 1 3 342.528 1.499 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cn(C)nc1C ZINC000448854377 447353991 /nfs/dbraw/zinc/35/39/91/447353991.db2.gz UTYXLYZRYUEDAZ-KRWDZBQOSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cn(C)nc1C ZINC000448854377 447353997 /nfs/dbraw/zinc/35/39/97/447353997.db2.gz UTYXLYZRYUEDAZ-KRWDZBQOSA-N 1 3 335.496 1.146 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CCN1c1ccccc1 ZINC000530405851 305939864 /nfs/dbraw/zinc/93/98/64/305939864.db2.gz OJQVUDNWCPAVCG-IEBWSBKVSA-N 1 3 346.519 1.853 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000414944101 447366835 /nfs/dbraw/zinc/36/68/35/447366835.db2.gz NJLUIYDJYDHATP-CJNGLKHVSA-N 1 3 332.448 1.189 20 0 EDADHO CN(CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000543714164 306067568 /nfs/dbraw/zinc/06/75/68/306067568.db2.gz KRUVINSSZKYJBI-QGZVFWFLSA-N 1 3 334.464 1.261 20 0 EDADHO CN(CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000543714164 306067569 /nfs/dbraw/zinc/06/75/69/306067569.db2.gz KRUVINSSZKYJBI-QGZVFWFLSA-N 1 3 334.464 1.261 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414972977 447380459 /nfs/dbraw/zinc/38/04/59/447380459.db2.gz JVUAQHNBQXCEAD-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414972977 447380462 /nfs/dbraw/zinc/38/04/62/447380462.db2.gz JVUAQHNBQXCEAD-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC[C@@]2(C)CC[NH2+]C2)n1 ZINC000415113610 447390335 /nfs/dbraw/zinc/39/03/35/447390335.db2.gz WSIFNGCRVDMTSH-ZQIUZPCESA-N 1 3 336.459 1.049 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000663308383 453763688 /nfs/dbraw/zinc/76/36/88/453763688.db2.gz ANCVSFUTIJSMDA-GFCCVEGCSA-N 1 3 339.383 1.258 20 0 EDADHO Cc1nc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2)n[nH]1 ZINC000073428176 441316728 /nfs/dbraw/zinc/31/67/28/441316728.db2.gz JQZUSRDGDMDSKH-UHFFFAOYSA-N 1 3 344.463 1.346 20 0 EDADHO COC(=O)N1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000089144862 441527059 /nfs/dbraw/zinc/52/70/59/441527059.db2.gz FCMOPLRUVGYNJV-HUUCEWRRSA-N 1 3 327.469 1.696 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000088390980 441506602 /nfs/dbraw/zinc/50/66/02/441506602.db2.gz RAOSXNJNIGPNHZ-UHFFFAOYSA-N 1 3 348.451 1.633 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000158604567 441748028 /nfs/dbraw/zinc/74/80/28/441748028.db2.gz CUPAVOYMTXTFAU-UHFFFAOYSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000077775847 441859163 /nfs/dbraw/zinc/85/91/63/441859163.db2.gz UKWHCCUMGKPYAI-INIZCTEOSA-N 1 3 334.464 1.125 20 0 EDADHO Cc1noc(C)c1[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077829553 441872844 /nfs/dbraw/zinc/87/28/44/441872844.db2.gz WYXFDMOENXMIOM-LBPRGKRZSA-N 1 3 325.457 1.487 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000077662688 441824916 /nfs/dbraw/zinc/82/49/16/441824916.db2.gz PWWSHKWOOLZKEY-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000167415186 442221005 /nfs/dbraw/zinc/22/10/05/442221005.db2.gz VCDOBYRKPFTMQR-QZTJIDSGSA-N 1 3 345.487 1.777 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000168940398 442225159 /nfs/dbraw/zinc/22/51/59/442225159.db2.gz QMLDHTDKRKIJFV-IBGZPJMESA-N 1 3 347.503 1.880 20 0 EDADHO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168913151 442225171 /nfs/dbraw/zinc/22/51/71/442225171.db2.gz DBWRBNGKKYNQHD-FXAWDEMLSA-N 1 3 331.504 1.900 20 0 EDADHO CSCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168848973 442225594 /nfs/dbraw/zinc/22/55/94/442225594.db2.gz ASRRPZZIXFUWDB-AWEZNQCLSA-N 1 3 329.510 1.218 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651565 442280098 /nfs/dbraw/zinc/28/00/98/442280098.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 1 3 345.491 1.193 20 0 EDADHO C[C@@H]1C[C@@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651565 442280101 /nfs/dbraw/zinc/28/01/01/442280101.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 1 3 345.491 1.193 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000171122697 442315940 /nfs/dbraw/zinc/31/59/40/442315940.db2.gz LOUZAIHWDCZVJK-JYJNAYRXSA-N 1 3 325.497 1.865 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000155755725 442424847 /nfs/dbraw/zinc/42/48/47/442424847.db2.gz ZAPZORFFSDZEFQ-DOTOQJQBSA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@@H](COC)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960425 442536739 /nfs/dbraw/zinc/53/67/39/442536739.db2.gz RKHVRLSECXAKPF-ROUUACIJSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@@H](COC)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960425 442536741 /nfs/dbraw/zinc/53/67/41/442536741.db2.gz RKHVRLSECXAKPF-ROUUACIJSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@@H](COC)[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000156960425 442536748 /nfs/dbraw/zinc/53/67/48/442536748.db2.gz RKHVRLSECXAKPF-ROUUACIJSA-N 1 3 333.476 1.899 20 0 EDADHO O=C1[C@@H](N2CCN(CC3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000178973007 442541910 /nfs/dbraw/zinc/54/19/10/442541910.db2.gz YKXFNBCSBKAULY-IBGZPJMESA-N 1 3 342.487 1.409 20 0 EDADHO CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(C(C)C)CC2)ncn1 ZINC000180630488 442637937 /nfs/dbraw/zinc/63/79/37/442637937.db2.gz ZYZIWPGWYQLXBL-INIZCTEOSA-N 1 3 332.496 1.950 20 0 EDADHO CNc1cc(N2CCC[C@H]2CNC2CC[NH+](C(C)C)CC2)ncn1 ZINC000180630488 442637940 /nfs/dbraw/zinc/63/79/40/442637940.db2.gz ZYZIWPGWYQLXBL-INIZCTEOSA-N 1 3 332.496 1.950 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192228809 442617726 /nfs/dbraw/zinc/61/77/26/442617726.db2.gz TUNJQZIMQLYLQL-SFHVURJKSA-N 1 3 333.476 1.734 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192228809 442617732 /nfs/dbraw/zinc/61/77/32/442617732.db2.gz TUNJQZIMQLYLQL-SFHVURJKSA-N 1 3 333.476 1.734 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccsc1 ZINC000187907622 442697493 /nfs/dbraw/zinc/69/74/93/442697493.db2.gz MFCXLLFQJDQHAJ-RRFJBIMHSA-N 1 3 325.478 1.624 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000187937912 442698624 /nfs/dbraw/zinc/69/86/24/442698624.db2.gz GDLRHYHXMHDASG-DLBZAZTESA-N 1 3 349.500 1.593 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000181845440 442719385 /nfs/dbraw/zinc/71/93/85/442719385.db2.gz ZKTYVKQBSVKXGB-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000181845440 442719387 /nfs/dbraw/zinc/71/93/87/442719387.db2.gz ZKTYVKQBSVKXGB-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CSC ZINC000246310989 442771330 /nfs/dbraw/zinc/77/13/30/442771330.db2.gz NQGHEOZQSDOABZ-CABCVRRESA-N 1 3 330.542 1.795 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CSC ZINC000246310989 442771334 /nfs/dbraw/zinc/77/13/34/442771334.db2.gz NQGHEOZQSDOABZ-CABCVRRESA-N 1 3 330.542 1.795 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188796691 442816914 /nfs/dbraw/zinc/81/69/14/442816914.db2.gz CJYBDDFIXGKSMN-ZWKOTPCHSA-N 1 3 348.466 1.011 20 0 EDADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148205 442870624 /nfs/dbraw/zinc/87/06/24/442870624.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148205 442870630 /nfs/dbraw/zinc/87/06/30/442870630.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 1 3 330.476 1.900 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247464003 442855061 /nfs/dbraw/zinc/85/50/61/442855061.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247464003 442855065 /nfs/dbraw/zinc/85/50/65/442855065.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 1 3 328.501 1.374 20 0 EDADHO CC[C@@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530937 442938287 /nfs/dbraw/zinc/93/82/87/442938287.db2.gz VZWOHGNPJVZFSE-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086037 443133699 /nfs/dbraw/zinc/13/36/99/443133699.db2.gz GNPVTTYKDVMCSJ-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CN1CCC(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000268761679 443100266 /nfs/dbraw/zinc/10/02/66/443100266.db2.gz QAEFJZGAHOQRKB-UHFFFAOYSA-N 1 3 345.491 1.892 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000268936146 443152471 /nfs/dbraw/zinc/15/24/71/443152471.db2.gz YQXQGWDWPZFIIZ-ATZDWAIDSA-N 1 3 328.460 1.954 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1cnn(C)c1 ZINC000268936146 443152472 /nfs/dbraw/zinc/15/24/72/443152472.db2.gz YQXQGWDWPZFIIZ-ATZDWAIDSA-N 1 3 328.460 1.954 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000261616920 443161097 /nfs/dbraw/zinc/16/10/97/443161097.db2.gz FLVWLKNSPRETHU-GOSISDBHSA-N 1 3 331.460 1.708 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266817963 443254778 /nfs/dbraw/zinc/25/47/78/443254778.db2.gz XFJKXTXJLSMAJY-KRWDZBQOSA-N 1 3 330.476 1.479 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414188397 319318354 /nfs/dbraw/zinc/31/83/54/319318354.db2.gz QQKBATOEXHMFCG-LSDHHAIUSA-N 1 3 339.505 1.977 20 0 EDADHO CNS(=O)(=O)c1cccc([C@H](C)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414188397 319318356 /nfs/dbraw/zinc/31/83/56/319318356.db2.gz QQKBATOEXHMFCG-LSDHHAIUSA-N 1 3 339.505 1.977 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCN(Cc3cccs3)CC2)C1 ZINC000414674728 319339732 /nfs/dbraw/zinc/33/97/32/319339732.db2.gz FBNXVZGSGCCUGE-OAHLLOKOSA-N 1 3 336.505 1.063 20 0 EDADHO COc1ccc(CCC[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000415081096 319345902 /nfs/dbraw/zinc/34/59/02/319345902.db2.gz KACSYVNPYCIMDQ-MRXNPFEDSA-N 1 3 349.475 1.423 20 0 EDADHO CN(C)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415997741 319388348 /nfs/dbraw/zinc/38/83/48/319388348.db2.gz SBZFUJXRVBFZRO-QWHCGFSZSA-N 1 3 332.370 1.868 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNCCN2C(=O)c3ccccc3C2=O)C1 ZINC000278624824 443382203 /nfs/dbraw/zinc/38/22/03/443382203.db2.gz GDLRYAVUVJFBPX-OAHLLOKOSA-N 1 3 329.444 1.993 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNCCN2C(=O)c3ccccc3C2=O)C1 ZINC000278624824 443382208 /nfs/dbraw/zinc/38/22/08/443382208.db2.gz GDLRYAVUVJFBPX-OAHLLOKOSA-N 1 3 329.444 1.993 20 0 EDADHO CC(C)N1CCC[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000278624824 443382211 /nfs/dbraw/zinc/38/22/11/443382211.db2.gz GDLRYAVUVJFBPX-OAHLLOKOSA-N 1 3 329.444 1.993 20 0 EDADHO C[NH+](C)CCN1CCC(CN[C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000278844183 443459848 /nfs/dbraw/zinc/45/98/48/443459848.db2.gz VAIRYHURDSGTSJ-SFHVURJKSA-N 1 3 342.491 1.757 20 0 EDADHO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC(C)CC1 ZINC000423359409 319766119 /nfs/dbraw/zinc/76/61/19/319766119.db2.gz PDPYQCGWASSRKU-CABCVRRESA-N 1 3 333.480 1.727 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272056 320124330 /nfs/dbraw/zinc/12/43/30/320124330.db2.gz WBLVUGMTXBLDQY-WBQJQJEBSA-N 1 3 349.519 1.724 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458667618 320338256 /nfs/dbraw/zinc/33/82/56/320338256.db2.gz PHFDNYXKMNAYMW-SFHVURJKSA-N 1 3 340.512 1.472 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000514606232 320429476 /nfs/dbraw/zinc/42/94/76/320429476.db2.gz VGSZWFGYVKBITI-MDZRGWNJSA-N 1 3 345.487 1.879 20 0 EDADHO CCC[C@@]1([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)CCOC1 ZINC000285426461 443980013 /nfs/dbraw/zinc/98/00/13/443980013.db2.gz DXLXSTRWPMIFOT-IEBWSBKVSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000563075148 321094004 /nfs/dbraw/zinc/09/40/04/321094004.db2.gz YHPXHRKZOHYTLO-KSSFIOAISA-N 1 3 331.460 1.258 20 0 EDADHO Cc1ccc(OC[C@H](O)CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000566123814 321218337 /nfs/dbraw/zinc/21/83/37/321218337.db2.gz PGPKEICHJBAEBZ-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccc(OC[C@H](O)CNCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000566123814 321218339 /nfs/dbraw/zinc/21/83/39/321218339.db2.gz PGPKEICHJBAEBZ-QZTJIDSGSA-N 1 3 336.476 1.825 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOCC4(CC4)C3)CC2)CC1 ZINC000568206177 321281432 /nfs/dbraw/zinc/28/14/32/321281432.db2.gz FLOFIAWHDXYXTO-UHFFFAOYSA-N 1 3 349.519 1.822 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000568991220 321313642 /nfs/dbraw/zinc/31/36/42/321313642.db2.gz NMTIDQSUVXEDBB-INIZCTEOSA-N 1 3 345.409 1.837 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000570029543 321334794 /nfs/dbraw/zinc/33/47/94/321334794.db2.gz DRRTZMXTPCYCEB-JQHSSLGASA-N 1 3 330.476 1.948 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778903 444202132 /nfs/dbraw/zinc/20/21/32/444202132.db2.gz IYHTVTSEMPHCQZ-IRXDYDNUSA-N 1 3 347.459 1.247 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778903 444202134 /nfs/dbraw/zinc/20/21/34/444202134.db2.gz IYHTVTSEMPHCQZ-IRXDYDNUSA-N 1 3 347.459 1.247 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000290276866 444262335 /nfs/dbraw/zinc/26/23/35/444262335.db2.gz QEJBYMUUYFDDPY-UHFFFAOYSA-N 1 3 345.487 1.914 20 0 EDADHO CC(C)[C@H]1C[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000576921489 321606889 /nfs/dbraw/zinc/60/68/89/321606889.db2.gz AKQMZFKFYDEGTH-IAGOWNOFSA-N 1 3 342.528 1.572 20 0 EDADHO O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000305331374 444269283 /nfs/dbraw/zinc/26/92/83/444269283.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 1 3 329.488 1.622 20 0 EDADHO O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)CN1CCc2ccccc2C1 ZINC000305331374 444269286 /nfs/dbraw/zinc/26/92/86/444269286.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 1 3 329.488 1.622 20 0 EDADHO COCCOCc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000290113663 444243836 /nfs/dbraw/zinc/24/38/36/444243836.db2.gz LHVQOPZTELCIHY-UHFFFAOYSA-N 1 3 349.519 1.965 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334894 321759437 /nfs/dbraw/zinc/75/94/37/321759437.db2.gz YNWRFVRCNWQLKV-BBRMVZONSA-N 1 3 328.526 1.501 20 0 EDADHO CSC1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCN(C)CC1 ZINC000579690979 321961422 /nfs/dbraw/zinc/96/14/22/321961422.db2.gz NBLVTCPLDQLKDA-CQSZACIVSA-N 1 3 342.553 1.891 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000340663186 444476023 /nfs/dbraw/zinc/47/60/23/444476023.db2.gz GVVMVSDRONQUSN-CYBMUJFWSA-N 1 3 334.464 1.309 20 0 EDADHO CS[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1N(C)C ZINC000580568592 322069044 /nfs/dbraw/zinc/06/90/44/322069044.db2.gz KRKILHSUPJZVML-SJORKVTESA-N 1 3 335.517 1.908 20 0 EDADHO CC[NH+]1CCC(CNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000580926647 322112200 /nfs/dbraw/zinc/11/22/00/322112200.db2.gz GVKINYUCKZOPNH-UHFFFAOYSA-N 1 3 337.508 1.870 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000581061046 322130083 /nfs/dbraw/zinc/13/00/83/322130083.db2.gz BOFDARWKFCGUKL-ZACQAIPSSA-N 1 3 334.439 1.746 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]1 ZINC000333910938 444716543 /nfs/dbraw/zinc/71/65/43/444716543.db2.gz DZQCHHMBJPZIHQ-GJZGRUSLSA-N 1 3 340.537 1.788 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000338822542 444871596 /nfs/dbraw/zinc/87/15/96/444871596.db2.gz BMCVYOHGTQCYLZ-IBGZPJMESA-N 1 3 349.519 1.964 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906903 445064871 /nfs/dbraw/zinc/06/48/71/445064871.db2.gz YKYFRDQPYMFLPU-MDZRGWNJSA-N 1 3 345.487 1.977 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCN3C3CCOCC3)C2)CC1 ZINC000339460822 445144753 /nfs/dbraw/zinc/14/47/53/445144753.db2.gz JRPAMTJODBEOLZ-PKOBYXMFSA-N 1 3 349.519 1.820 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(C[C@@H]2CCCO2)CC1 ZINC000343497834 445234208 /nfs/dbraw/zinc/23/42/08/445234208.db2.gz SGJKLUVJHOLZAL-SFHVURJKSA-N 1 3 337.508 1.870 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122296 445280135 /nfs/dbraw/zinc/28/01/35/445280135.db2.gz DBPOTILIFYTJDD-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCN(C)C2CC2)C1 ZINC000351790399 445323044 /nfs/dbraw/zinc/32/30/44/445323044.db2.gz PAXJANJKWWGLNV-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859149 445345063 /nfs/dbraw/zinc/34/50/63/445345063.db2.gz FQABABYACXFNJJ-JKSUJKDBSA-N 1 3 348.466 1.534 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2CCN(C)CC23CCCCC3)CC1 ZINC000362478818 445403422 /nfs/dbraw/zinc/40/34/22/445403422.db2.gz HFFUREBVYZCDED-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO O=C(CCOC1CNC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000349006243 445473126 /nfs/dbraw/zinc/47/31/26/445473126.db2.gz UAAZIMBTJHWOMN-KRWDZBQOSA-N 1 3 331.460 1.046 20 0 EDADHO O=C(CCOC1CNC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000349006243 445473131 /nfs/dbraw/zinc/47/31/31/445473131.db2.gz UAAZIMBTJHWOMN-KRWDZBQOSA-N 1 3 331.460 1.046 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)CCOC2CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000349011516 445475761 /nfs/dbraw/zinc/47/57/61/445475761.db2.gz YNFPOZMSPQFDCN-SJLPKXTDSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)CCOC2CNC2)CC[N@H+]1Cc1ccccc1 ZINC000349011516 445475765 /nfs/dbraw/zinc/47/57/65/445475765.db2.gz YNFPOZMSPQFDCN-SJLPKXTDSA-N 1 3 345.487 1.876 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362562414 445440431 /nfs/dbraw/zinc/44/04/31/445440431.db2.gz SPWXPRSHTVPSAC-GJZGRUSLSA-N 1 3 333.480 1.871 20 0 EDADHO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000357278393 445521922 /nfs/dbraw/zinc/52/19/22/445521922.db2.gz CSXJUBRUMMCVNE-ZVZYQTTQSA-N 1 3 336.480 1.290 20 0 EDADHO O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H](N2CCCCC2)C1 ZINC000362794783 445552969 /nfs/dbraw/zinc/55/29/69/445552969.db2.gz NWNBLWJSCLSYST-HOTGVXAUSA-N 1 3 331.464 1.508 20 0 EDADHO COCCN1CC[C@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117336 445685434 /nfs/dbraw/zinc/68/54/34/445685434.db2.gz GIRIXHPXLQUKOT-SFHVURJKSA-N 1 3 346.475 1.131 20 0 EDADHO COCC[N@@H+]1CC[C@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117336 445685437 /nfs/dbraw/zinc/68/54/37/445685437.db2.gz GIRIXHPXLQUKOT-SFHVURJKSA-N 1 3 346.475 1.131 20 0 EDADHO COCC[N@H+]1CC[C@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117336 445685441 /nfs/dbraw/zinc/68/54/41/445685441.db2.gz GIRIXHPXLQUKOT-SFHVURJKSA-N 1 3 346.475 1.131 20 0 EDADHO COCCN1CC[C@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363117336 445685445 /nfs/dbraw/zinc/68/54/45/445685445.db2.gz GIRIXHPXLQUKOT-SFHVURJKSA-N 1 3 346.475 1.131 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349917379 445720862 /nfs/dbraw/zinc/72/08/62/445720862.db2.gz ZTSLIWHMEUQCMA-GOSISDBHSA-N 1 3 348.491 1.386 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349917379 445720866 /nfs/dbraw/zinc/72/08/66/445720866.db2.gz ZTSLIWHMEUQCMA-GOSISDBHSA-N 1 3 348.491 1.386 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353701637 445715595 /nfs/dbraw/zinc/71/55/95/445715595.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000353701637 445715599 /nfs/dbraw/zinc/71/55/99/445715599.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000349941906 445729644 /nfs/dbraw/zinc/72/96/44/445729644.db2.gz ZTWLFZUOBMXMMJ-MRXNPFEDSA-N 1 3 326.485 1.319 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccncc1OCCN(C)C ZINC000356470774 445808943 /nfs/dbraw/zinc/80/89/43/445808943.db2.gz GMVLQDYYWBESSA-AWEZNQCLSA-N 1 3 336.480 1.805 20 0 EDADHO [NH3+]C[C@H](C(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358858376 445814569 /nfs/dbraw/zinc/81/45/69/445814569.db2.gz RANQCLKLGNOYCY-SFHVURJKSA-N 1 3 349.450 1.439 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358861255 445816235 /nfs/dbraw/zinc/81/62/35/445816235.db2.gz FRQFKESSELNNEO-KRWDZBQOSA-N 1 3 337.439 1.485 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725262 445899699 /nfs/dbraw/zinc/89/96/99/445899699.db2.gz DFMPPPGCAYHXGX-SFHVURJKSA-N 1 3 345.487 1.783 20 0 EDADHO COC[C@]1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604446 325883864 /nfs/dbraw/zinc/88/38/64/325883864.db2.gz GEQYLXLSCVCCGL-BEFAXECRSA-N 1 3 346.475 1.349 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451169 326076271 /nfs/dbraw/zinc/07/62/71/326076271.db2.gz MXZGHHKLZILGEL-RRFJBIMHSA-N 1 3 329.452 1.200 20 0 EDADHO Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000583867366 326155414 /nfs/dbraw/zinc/15/54/14/326155414.db2.gz DGQMWMFXZVKHGT-QGZVFWFLSA-N 1 3 335.492 1.350 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436810 446066225 /nfs/dbraw/zinc/06/62/25/446066225.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 1 3 325.497 1.458 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436810 446066228 /nfs/dbraw/zinc/06/62/28/446066228.db2.gz ARACIODCZFOYMZ-UXLLHSPISA-N 1 3 325.497 1.458 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@@H](C)C1 ZINC000361924446 446072727 /nfs/dbraw/zinc/07/27/27/446072727.db2.gz NIXKNYYBMLPYIQ-HOCLYGCPSA-N 1 3 334.464 1.407 20 0 EDADHO CC1CCN(CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359368886 446178583 /nfs/dbraw/zinc/17/85/83/446178583.db2.gz UYEARFJAKPOHDE-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CCCN(C3CC3)CC2)CCCO1 ZINC000365497103 446231680 /nfs/dbraw/zinc/23/16/80/446231680.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCN(C3CC3)CC2)CCCO1 ZINC000365497103 446231684 /nfs/dbraw/zinc/23/16/84/446231684.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558995 446253978 /nfs/dbraw/zinc/25/39/78/446253978.db2.gz UQEOVJJYIRRLEJ-ZFWWWQNUSA-N 1 3 340.431 1.743 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558995 446253981 /nfs/dbraw/zinc/25/39/81/446253981.db2.gz UQEOVJJYIRRLEJ-ZFWWWQNUSA-N 1 3 340.431 1.743 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000365664838 446292625 /nfs/dbraw/zinc/29/26/25/446292625.db2.gz ZXVXKAVMQDHXEZ-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000365837513 446364377 /nfs/dbraw/zinc/36/43/77/446364377.db2.gz LQMOYTSXAUYEKN-HNNXBMFYSA-N 1 3 348.495 2.003 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000365837513 446364380 /nfs/dbraw/zinc/36/43/80/446364380.db2.gz LQMOYTSXAUYEKN-HNNXBMFYSA-N 1 3 348.495 2.003 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417580813 446365834 /nfs/dbraw/zinc/36/58/34/446365834.db2.gz GICLJQRFEQJFQI-HNNXBMFYSA-N 1 3 340.512 1.707 20 0 EDADHO CN1CCC[C@@H](CNC(=O)N(CC[NH3+])CCO)[C@@H]1c1cccs1 ZINC000417745269 446371455 /nfs/dbraw/zinc/37/14/55/446371455.db2.gz ZUSSHNVHHFMWLP-DZGCQCFKSA-N 1 3 340.493 1.094 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737723 446372217 /nfs/dbraw/zinc/37/22/17/446372217.db2.gz OCFDRHCIJNVOMM-RHSMWYFYSA-N 1 3 330.476 1.525 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000365881980 446385693 /nfs/dbraw/zinc/38/56/93/446385693.db2.gz DYTXQFQRYFLIKY-SFHVURJKSA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000365881980 446385698 /nfs/dbraw/zinc/38/56/98/446385698.db2.gz DYTXQFQRYFLIKY-SFHVURJKSA-N 1 3 344.503 1.600 20 0 EDADHO C[C@@H]1CCN(C(=O)NCc2ccncc2OCCN(C)C)C[C@@H]1C[NH3+] ZINC000418187528 446452444 /nfs/dbraw/zinc/45/24/44/446452444.db2.gz DOOPJPMPLXUZSD-ZBFHGGJFSA-N 1 3 349.479 1.148 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989593 446409350 /nfs/dbraw/zinc/40/93/50/446409350.db2.gz TYONWTKGYRRYST-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000420304950 446467564 /nfs/dbraw/zinc/46/75/64/446467564.db2.gz PAAUJDOYSOYKAZ-SFHVURJKSA-N 1 3 336.524 1.396 20 0 EDADHO Cc1nc2c(cnn2C)c(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420317380 446483676 /nfs/dbraw/zinc/48/36/76/446483676.db2.gz MWZSMPUCNYLALT-HNNXBMFYSA-N 1 3 343.479 1.183 20 0 EDADHO C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](C)C1 ZINC000423317029 446486868 /nfs/dbraw/zinc/48/68/68/446486868.db2.gz BDNNAUBBZLMRDI-VYDXJSESSA-N 1 3 333.480 1.658 20 0 EDADHO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326709 446493263 /nfs/dbraw/zinc/49/32/63/446493263.db2.gz KMHFPIPQJIDRAF-AWEZNQCLSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326709 446493269 /nfs/dbraw/zinc/49/32/69/446493269.db2.gz KMHFPIPQJIDRAF-AWEZNQCLSA-N 1 3 335.423 1.842 20 0 EDADHO NC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326709 446493276 /nfs/dbraw/zinc/49/32/76/446493276.db2.gz KMHFPIPQJIDRAF-AWEZNQCLSA-N 1 3 335.423 1.842 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367603 446503845 /nfs/dbraw/zinc/50/38/45/446503845.db2.gz DJBSRKAXHSPLGF-HUUCEWRRSA-N 1 3 333.480 1.491 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418333428 446504029 /nfs/dbraw/zinc/50/40/29/446504029.db2.gz GRIWIWXQBFONQX-SFHVURJKSA-N 1 3 347.507 1.935 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCNCc2cccnc2)C1 ZINC000418333428 446504034 /nfs/dbraw/zinc/50/40/34/446504034.db2.gz GRIWIWXQBFONQX-SFHVURJKSA-N 1 3 347.507 1.935 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334058 446505232 /nfs/dbraw/zinc/50/52/32/446505232.db2.gz KZTQMNROMWFQDS-CEXWTWQISA-N 1 3 344.503 1.337 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418343822 446509127 /nfs/dbraw/zinc/50/91/27/446509127.db2.gz KBQZYJXACWOZMF-INIZCTEOSA-N 1 3 339.528 1.091 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378184 446510008 /nfs/dbraw/zinc/51/00/08/446510008.db2.gz ZKQUZDDYOLYDID-RDJZCZTQSA-N 1 3 331.460 1.707 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341450 446514209 /nfs/dbraw/zinc/51/42/09/446514209.db2.gz OOFAKUGFVCFRFT-QZTJIDSGSA-N 1 3 345.487 1.675 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328905 446497797 /nfs/dbraw/zinc/49/77/97/446497797.db2.gz NKICXWONVKQDSY-SQNIBIBYSA-N 1 3 343.471 1.428 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2C[NH2+]C2)CCN1Cc1ccccc1 ZINC000418492394 446565622 /nfs/dbraw/zinc/56/56/22/446565622.db2.gz VANFQHQAPPQMIR-CRAIPNDOSA-N 1 3 330.476 1.900 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418379759 446521028 /nfs/dbraw/zinc/52/10/28/446521028.db2.gz WGXYWMBMONNJMA-QYZOEREBSA-N 1 3 342.487 1.902 20 0 EDADHO C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H](CN)C1 ZINC000420347322 446521066 /nfs/dbraw/zinc/52/10/66/446521066.db2.gz YBFJXNOXQOEPOG-GDBMZVCRSA-N 1 3 332.448 1.462 20 0 EDADHO C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H](CN)C1 ZINC000420347322 446521076 /nfs/dbraw/zinc/52/10/76/446521076.db2.gz YBFJXNOXQOEPOG-GDBMZVCRSA-N 1 3 332.448 1.462 20 0 EDADHO C[C@H](CN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209507 446521397 /nfs/dbraw/zinc/52/13/97/446521397.db2.gz RDRFWIOQCPFAQI-HUUCEWRRSA-N 1 3 328.522 1.863 20 0 EDADHO C[C@H](CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209507 446521403 /nfs/dbraw/zinc/52/14/03/446521403.db2.gz RDRFWIOQCPFAQI-HUUCEWRRSA-N 1 3 328.522 1.863 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418400150 446530077 /nfs/dbraw/zinc/53/00/77/446530077.db2.gz FJOANSXTNSYMGK-RDJZCZTQSA-N 1 3 333.480 1.672 20 0 EDADHO COC[C@]1(CN[C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCC[NH2+]1 ZINC000423429693 446533304 /nfs/dbraw/zinc/53/33/04/446533304.db2.gz PFAGXAZETUHBMB-NZSAHSFTSA-N 1 3 332.492 1.650 20 0 EDADHO COC[C@]1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCCN1 ZINC000423429693 446533309 /nfs/dbraw/zinc/53/33/09/446533309.db2.gz PFAGXAZETUHBMB-NZSAHSFTSA-N 1 3 332.492 1.650 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420375378 446552932 /nfs/dbraw/zinc/55/29/32/446552932.db2.gz OFSZCCZJEXUPEM-UYAOXDASSA-N 1 3 344.503 1.481 20 0 EDADHO O=C1N[C@H]2CN(CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397214 446572045 /nfs/dbraw/zinc/57/20/45/446572045.db2.gz FGVJIHWHCQJNMA-ZWKOTPCHSA-N 1 3 328.460 1.449 20 0 EDADHO O=C1N[C@@H]2CN(CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406587 446579945 /nfs/dbraw/zinc/57/99/45/446579945.db2.gz RBEVEHBKTQPYFG-MOPGFXCFSA-N 1 3 342.487 1.839 20 0 EDADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000434351848 446637364 /nfs/dbraw/zinc/63/73/64/446637364.db2.gz LTKCMVDMYPXSPE-IAGOWNOFSA-N 1 3 338.496 1.149 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000418737145 446660405 /nfs/dbraw/zinc/66/04/05/446660405.db2.gz VHMXGBIMKWONTG-KGLIPLIRSA-N 1 3 339.509 1.652 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629623 446621282 /nfs/dbraw/zinc/62/12/82/446621282.db2.gz DKRNNVNDISVUPV-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371093024 446625206 /nfs/dbraw/zinc/62/52/06/446625206.db2.gz IERUUDRFHJVLJQ-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO COCCOCCN(C)[C@@H]1CCC[N@H+](CCOCCOC)CC1 ZINC000371099833 446627922 /nfs/dbraw/zinc/62/79/22/446627922.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 1 3 332.485 1.099 20 0 EDADHO COCCOCCN(C)[C@@H]1CCC[N@@H+](CCOCCOC)CC1 ZINC000371099833 446627932 /nfs/dbraw/zinc/62/79/32/446627932.db2.gz OPWIENGVHDJZGZ-QGZVFWFLSA-N 1 3 332.485 1.099 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000418647510 446631792 /nfs/dbraw/zinc/63/17/92/446631792.db2.gz GRCHFWWFZGVEMF-FUHWJXTLSA-N 1 3 348.491 1.395 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376777654 446713511 /nfs/dbraw/zinc/71/35/11/446713511.db2.gz LLYNRYFCHJVSEI-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163524 446679682 /nfs/dbraw/zinc/67/96/82/446679682.db2.gz ASQFXUTWRDZRDS-QGZVFWFLSA-N 1 3 339.443 1.796 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000418866307 446761192 /nfs/dbraw/zinc/76/11/92/446761192.db2.gz SNSSDQZKQINPRE-IRXDYDNUSA-N 1 3 346.475 1.135 20 0 EDADHO CC1CCN([C@@H](CNC(=O)C(=O)NCCC[NH3+])c2ccccc2)CC1 ZINC000418948792 446821480 /nfs/dbraw/zinc/82/14/80/446821480.db2.gz QVRSHKKGIDMTNP-KRWDZBQOSA-N 1 3 346.475 1.041 20 0 EDADHO NC[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000424036860 446829006 /nfs/dbraw/zinc/82/90/06/446829006.db2.gz HVGUHNDMSSIWNO-SOLBZPMBSA-N 1 3 327.403 1.821 20 0 EDADHO CC[C@H](C)[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286533 446865083 /nfs/dbraw/zinc/86/50/83/446865083.db2.gz HEGQDYDSOLNLLF-LZWOXQAQSA-N 1 3 339.480 1.154 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCC[C@H]3F)CC2)CC1 ZINC000454446247 446876673 /nfs/dbraw/zinc/87/66/73/446876673.db2.gz DLGFJVOIAXQIHA-CVEARBPZSA-N 1 3 326.460 1.735 20 0 EDADHO CN([C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000371473189 446878726 /nfs/dbraw/zinc/87/87/26/446878726.db2.gz LXBJHDKPZBSEGF-IHPCNDPISA-N 1 3 329.488 1.745 20 0 EDADHO CN([C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000371473189 446878735 /nfs/dbraw/zinc/87/87/35/446878735.db2.gz LXBJHDKPZBSEGF-IHPCNDPISA-N 1 3 329.488 1.745 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCCN2C)CC1 ZINC000420903459 446880881 /nfs/dbraw/zinc/88/08/81/446880881.db2.gz ATIQWDPTJRQMDW-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CCCC[C@H]1CC ZINC000419079754 446911068 /nfs/dbraw/zinc/91/10/68/446911068.db2.gz NTJPHLSFEAYTRS-HUUCEWRRSA-N 1 3 326.485 1.001 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419216420 447014082 /nfs/dbraw/zinc/01/40/82/447014082.db2.gz PLHSQACMXYNXRN-HNNXBMFYSA-N 1 3 346.475 1.094 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(C)CCN ZINC000419216420 447014087 /nfs/dbraw/zinc/01/40/87/447014087.db2.gz PLHSQACMXYNXRN-HNNXBMFYSA-N 1 3 346.475 1.094 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419172415 446987902 /nfs/dbraw/zinc/98/79/02/446987902.db2.gz QVUUYJQYDQPTBZ-OWCLPIDISA-N 1 3 338.496 1.143 20 0 EDADHO COCC[C@]1(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000377201378 446988730 /nfs/dbraw/zinc/98/87/30/446988730.db2.gz JMWGZDTUGBOCLO-UYAOXDASSA-N 1 3 341.455 1.972 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368696894 447047330 /nfs/dbraw/zinc/04/73/30/447047330.db2.gz OMPPVZUEBPBXBU-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368696894 447047335 /nfs/dbraw/zinc/04/73/35/447047335.db2.gz OMPPVZUEBPBXBU-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C(=O)OC)[nH]3)CC2)CC1 ZINC000421380405 447145492 /nfs/dbraw/zinc/14/54/92/447145492.db2.gz VPOYURNMHDWICC-UHFFFAOYSA-N 1 3 348.491 1.793 20 0 EDADHO N[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1ccc(F)cc1 ZINC000375921986 447151905 /nfs/dbraw/zinc/15/19/05/447151905.db2.gz LGMGZCAJTOKOGF-PCODUJHASA-N 1 3 331.435 1.859 20 0 EDADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC000414309498 447290999 /nfs/dbraw/zinc/29/09/99/447290999.db2.gz RVTZHQOIBWUKMA-MJGOQNOKSA-N 1 3 331.504 1.943 20 0 EDADHO C[C@@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1ccc(OCCN(C)C)cc1 ZINC000421873619 447265655 /nfs/dbraw/zinc/26/56/55/447265655.db2.gz HVNZWHZASFYQAD-GDBMZVCRSA-N 1 3 344.463 1.669 20 0 EDADHO CN(C(=O)CN1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000383943367 447465717 /nfs/dbraw/zinc/46/57/17/447465717.db2.gz VMGWZTHMJOQBTE-UHFFFAOYSA-N 1 3 330.476 1.015 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390867552 447505424 /nfs/dbraw/zinc/50/54/24/447505424.db2.gz ONMCAPZCYOIEDF-ROUUACIJSA-N 1 3 333.476 1.625 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427148626 447552293 /nfs/dbraw/zinc/55/22/93/447552293.db2.gz YPBQBGZMNIZZLR-KSZLIROESA-N 1 3 337.508 1.963 20 0 EDADHO COCCN(C)C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554279 /nfs/dbraw/zinc/55/42/79/447554279.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 1 3 349.519 1.426 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420087145 447593668 /nfs/dbraw/zinc/59/36/68/447593668.db2.gz PJMHUWYEVAQFNU-UHFFFAOYSA-N 1 3 340.512 1.073 20 0 EDADHO O=C1O[C@@]2(CN1CN1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860428 447609399 /nfs/dbraw/zinc/60/93/99/447609399.db2.gz ZTAVJVIZDYGXPL-IEBWSBKVSA-N 1 3 349.475 1.752 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000457782319 447627104 /nfs/dbraw/zinc/62/71/04/447627104.db2.gz YSWSRBLHRMLAPP-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1CCO)[NH+]1CCC(C)CC1 ZINC000458055090 447710528 /nfs/dbraw/zinc/71/05/28/447710528.db2.gz VEEDZFYEODCAAU-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO COCCN1CCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704332 447721394 /nfs/dbraw/zinc/72/13/94/447721394.db2.gz KKIDILMCXVEBPW-KPFFTGBYSA-N 1 3 345.487 1.943 20 0 EDADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000416958381 447727958 /nfs/dbraw/zinc/72/79/58/447727958.db2.gz OZHZCXHZCYNDFQ-HOTGVXAUSA-N 1 3 327.517 1.075 20 0 EDADHO CCNS(=O)(=O)c1cccc(C[NH2+]C2CCN(CC)CC2)c1 ZINC000459642205 447729412 /nfs/dbraw/zinc/72/94/12/447729412.db2.gz GPJWLBXEKZINQI-UHFFFAOYSA-N 1 3 325.478 1.559 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C)N1CCc2ccccc2C1 ZINC000417004535 447730178 /nfs/dbraw/zinc/73/01/78/447730178.db2.gz CNPDEYIMPJFVMY-ZTFGCOKTSA-N 1 3 330.476 1.954 20 0 EDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733856 447732998 /nfs/dbraw/zinc/73/29/98/447732998.db2.gz RTRZLQZJGXCPHJ-OLZOCXBDSA-N 1 3 326.238 1.648 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422753550 447739866 /nfs/dbraw/zinc/73/98/66/447739866.db2.gz DZUHBKQBJQDUKN-KSZLIROESA-N 1 3 331.460 1.935 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@H]1CCCCN1 ZINC000422824685 447761072 /nfs/dbraw/zinc/76/10/72/447761072.db2.gz HVZURPCKWBTDLX-QZTJIDSGSA-N 1 3 346.523 1.499 20 0 EDADHO CC[C@@H](NCCCN1CCN(c2ncccn2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422824685 447761076 /nfs/dbraw/zinc/76/10/76/447761076.db2.gz HVZURPCKWBTDLX-QZTJIDSGSA-N 1 3 346.523 1.499 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944242 447777795 /nfs/dbraw/zinc/77/77/95/447777795.db2.gz ZQIJBHZSCOWCIS-GOEBONIOSA-N 1 3 325.478 1.380 20 0 EDADHO CC(C)[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N1CCN(C)CC1 ZINC000422963381 447782354 /nfs/dbraw/zinc/78/23/54/447782354.db2.gz IICBTSWWPWNULF-RLLQIKCJSA-N 1 3 332.536 1.807 20 0 EDADHO CC(C)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCN(C)CC1 ZINC000422963381 447782355 /nfs/dbraw/zinc/78/23/55/447782355.db2.gz IICBTSWWPWNULF-RLLQIKCJSA-N 1 3 332.536 1.807 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1CNC1 ZINC000431019919 447788940 /nfs/dbraw/zinc/78/89/40/447788940.db2.gz UJKIJPIQDFXHGV-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)COC1CNC1 ZINC000431019919 447788943 /nfs/dbraw/zinc/78/89/43/447788943.db2.gz UJKIJPIQDFXHGV-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C)CCOCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000471635238 447806191 /nfs/dbraw/zinc/80/61/91/447806191.db2.gz NLUYYXDSKZXINW-UHFFFAOYSA-N 1 3 342.528 1.909 20 0 EDADHO C[C@@H](CNC(=O)NCCCCN1CCN(C)CC1)C[NH+]1CCCC1 ZINC000523004685 447868033 /nfs/dbraw/zinc/86/80/33/447868033.db2.gz QOTBBXGFZROMFI-KRWDZBQOSA-N 1 3 339.528 1.045 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCN1C ZINC000490281406 447891914 /nfs/dbraw/zinc/89/19/14/447891914.db2.gz AGVGSTBGHMOYCW-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO CN1CCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1(C)C ZINC000575858921 447913089 /nfs/dbraw/zinc/91/30/89/447913089.db2.gz BNRMGIFCUWBFGU-UHFFFAOYSA-N 1 3 337.430 1.838 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)COCc2cccs2)CC1(C)C ZINC000575862905 447915680 /nfs/dbraw/zinc/91/56/80/447915680.db2.gz WORJHKYRGRPWCU-OAHLLOKOSA-N 1 3 341.521 1.241 20 0 EDADHO C[NH+](C)CC1CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497252160 448006345 /nfs/dbraw/zinc/00/63/45/448006345.db2.gz LZVHJRKWJFKXBO-KRWDZBQOSA-N 1 3 329.485 1.536 20 0 EDADHO CC(C)C[C@H](CNC[C@]1(O)CC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982021 448095257 /nfs/dbraw/zinc/09/52/57/448095257.db2.gz VXHHANKXGSWFQN-RHSMWYFYSA-N 1 3 329.485 1.582 20 0 EDADHO CC(C)C[C@H](CNC[C@]1(O)CC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000496982021 448095260 /nfs/dbraw/zinc/09/52/60/448095260.db2.gz VXHHANKXGSWFQN-RHSMWYFYSA-N 1 3 329.485 1.582 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430738 448155788 /nfs/dbraw/zinc/15/57/88/448155788.db2.gz UIQADMYDCVPAEU-BRWVUGGUSA-N 1 3 340.512 1.347 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430738 448155792 /nfs/dbraw/zinc/15/57/92/448155792.db2.gz UIQADMYDCVPAEU-BRWVUGGUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576730012 448128079 /nfs/dbraw/zinc/12/80/79/448128079.db2.gz UVHZQZRLODSYHH-CGTJXYLNSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@H](NC(=O)NC[C@H]1CNCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576730012 448128085 /nfs/dbraw/zinc/12/80/85/448128085.db2.gz UVHZQZRLODSYHH-CGTJXYLNSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000571303910 448134294 /nfs/dbraw/zinc/13/42/94/448134294.db2.gz HFWRDONXTVGJAP-NJAFHUGGSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000527126656 448164966 /nfs/dbraw/zinc/16/49/66/448164966.db2.gz PCDUTAVURMCHBT-UHFFFAOYSA-N 1 3 344.463 1.829 20 0 EDADHO CN(C)[C@H]1CCC[N@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696142 448261079 /nfs/dbraw/zinc/26/10/79/448261079.db2.gz MEUXWHSWPHTVKM-INIZCTEOSA-N 1 3 340.512 1.565 20 0 EDADHO CN(C)[C@H]1CCC[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000492696142 448261086 /nfs/dbraw/zinc/26/10/86/448261086.db2.gz MEUXWHSWPHTVKM-INIZCTEOSA-N 1 3 340.512 1.565 20 0 EDADHO O=C1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCCN12 ZINC000515346060 448293923 /nfs/dbraw/zinc/29/39/23/448293923.db2.gz KEXBDXTYFLZWGS-XLSPSMHOSA-N 1 3 341.455 1.985 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000515347735 448295106 /nfs/dbraw/zinc/29/51/06/448295106.db2.gz MIMLWZWLRQCDAH-FJIDUMEYSA-N 1 3 327.513 1.311 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000515347735 448295109 /nfs/dbraw/zinc/29/51/09/448295109.db2.gz MIMLWZWLRQCDAH-FJIDUMEYSA-N 1 3 327.513 1.311 20 0 EDADHO CCC[C@@](C)(CO)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000572255632 448328220 /nfs/dbraw/zinc/32/82/20/448328220.db2.gz PZMOJXFRUWDQSP-IBGZPJMESA-N 1 3 339.524 1.850 20 0 EDADHO O=C1CC[C@@H](NCc2cccc3c2OCCO3)[C@H](C2CC[NH2+]CC2)N1 ZINC000577601347 448336862 /nfs/dbraw/zinc/33/68/62/448336862.db2.gz XPNLLHGWVLZTCW-QAPCUYQASA-N 1 3 345.443 1.194 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857462 448404637 /nfs/dbraw/zinc/40/46/37/448404637.db2.gz IUHROKHDYIZQKG-WBVHZDCISA-N 1 3 343.471 1.570 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000516070447 448375564 /nfs/dbraw/zinc/37/55/64/448375564.db2.gz FBHKALKYTHIGAC-LMSBXDPUSA-N 1 3 330.476 1.796 20 0 EDADHO CC(C)Cn1nccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000583085914 448420453 /nfs/dbraw/zinc/42/04/53/448420453.db2.gz RKRHFNJUTCLYEJ-UHFFFAOYSA-N 1 3 347.507 1.828 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1 ZINC000577963016 448427875 /nfs/dbraw/zinc/42/78/75/448427875.db2.gz MBUGKBNQUXVAMN-SFHVURJKSA-N 1 3 333.476 1.367 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963551 448428261 /nfs/dbraw/zinc/42/82/61/448428261.db2.gz DWPRPYMQEISLNY-OLZOCXBDSA-N 1 3 345.896 1.868 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000566436633 448469612 /nfs/dbraw/zinc/46/96/12/448469612.db2.gz NKJDBLAJWBJWRU-MRXNPFEDSA-N 1 3 333.476 1.628 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528339613 448491359 /nfs/dbraw/zinc/49/13/59/448491359.db2.gz XYAQGJDPKNICHD-TXTZMMAHSA-N 1 3 339.524 1.920 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528339613 448491362 /nfs/dbraw/zinc/49/13/62/448491362.db2.gz XYAQGJDPKNICHD-TXTZMMAHSA-N 1 3 339.524 1.920 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225555 448556527 /nfs/dbraw/zinc/55/65/27/448556527.db2.gz NTDUHIUQADEAMV-LMSBXDPUSA-N 1 3 330.476 1.804 20 0 EDADHO C[NH+](C)C1CCN(CCNCCS(=O)(=O)c2ccccc2)CC1 ZINC000578499622 448560808 /nfs/dbraw/zinc/56/08/08/448560808.db2.gz UHPXILKFCSCOQL-UHFFFAOYSA-N 1 3 339.505 1.076 20 0 EDADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CNCCC2(F)F)CCCCCC1 ZINC000584579683 448576730 /nfs/dbraw/zinc/57/67/30/448576730.db2.gz BJDGEYRTEWZHFR-CYBMUJFWSA-N 1 3 332.439 1.937 20 0 EDADHO CN(C)CCn1nccc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000578548685 448577711 /nfs/dbraw/zinc/57/77/11/448577711.db2.gz ZKSOKHNWQMLHJE-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO CN(C)[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)Cc1ccccc1 ZINC000584728055 448611840 /nfs/dbraw/zinc/61/18/40/448611840.db2.gz AYOUBCWBSUURDV-KRWDZBQOSA-N 1 3 343.475 1.347 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000567264952 448654127 /nfs/dbraw/zinc/65/41/27/448654127.db2.gz UMUIPCOTTFPCDX-MRXNPFEDSA-N 1 3 346.475 1.711 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000567268560 448655401 /nfs/dbraw/zinc/65/54/01/448655401.db2.gz GPYIEVGLGYWJIT-IRXDYDNUSA-N 1 3 330.476 1.798 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214977 448655838 /nfs/dbraw/zinc/65/58/38/448655838.db2.gz ILSVBGYQNTWHCV-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214977 448655843 /nfs/dbraw/zinc/65/58/43/448655843.db2.gz ILSVBGYQNTWHCV-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO N[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1ccccc1F ZINC000578890524 448663585 /nfs/dbraw/zinc/66/35/85/448663585.db2.gz QQFYHHPHIMGYPO-CORIIIEPSA-N 1 3 343.406 1.193 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000567180742 448632054 /nfs/dbraw/zinc/63/20/54/448632054.db2.gz SFJFNAJIYJVURT-HNNXBMFYSA-N 1 3 346.475 1.581 20 0 EDADHO CCC[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567500698 448704487 /nfs/dbraw/zinc/70/44/87/448704487.db2.gz FDEFWSUGDALQCD-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO CCC[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567500698 448704494 /nfs/dbraw/zinc/70/44/94/448704494.db2.gz FDEFWSUGDALQCD-QZTJIDSGSA-N 1 3 330.476 1.894 20 0 EDADHO NC[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000519691164 448819281 /nfs/dbraw/zinc/81/92/81/448819281.db2.gz NLEORFHMOZZBRU-BZSNNMDCSA-N 1 3 331.460 1.474 20 0 EDADHO C[C@H]1[C@H](NC(=O)NC2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000529322715 448823524 /nfs/dbraw/zinc/82/35/24/448823524.db2.gz CBZHYXMMTBCOKF-DOTOQJQBSA-N 1 3 346.475 1.457 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)N(C)C)cc1 ZINC000579610123 448835990 /nfs/dbraw/zinc/83/59/90/448835990.db2.gz SCBAGVBBLOHWIY-GOSISDBHSA-N 1 3 343.475 1.786 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](CO)C(C)C)CC2)CC1 ZINC000579728660 448867254 /nfs/dbraw/zinc/86/72/54/448867254.db2.gz BMUROQQKEABUIN-KRWDZBQOSA-N 1 3 339.524 1.563 20 0 EDADHO [NH3+]C1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000568856213 448926719 /nfs/dbraw/zinc/92/67/19/448926719.db2.gz RFMXMKGPAHSBNG-SFHVURJKSA-N 1 3 346.475 1.410 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)CC(F)(F)F ZINC000521614310 449001335 /nfs/dbraw/zinc/00/13/35/449001335.db2.gz HSBREDJGXSPXOD-LSDHHAIUSA-N 1 3 332.366 1.656 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643754 449006112 /nfs/dbraw/zinc/00/61/12/449006112.db2.gz NNFMCPWCPSJTTC-MSOLQXFVSA-N 1 3 336.524 1.570 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)cc1 ZINC000569353053 449010326 /nfs/dbraw/zinc/01/03/26/449010326.db2.gz GMLCTNQVPWFVPW-KDOFPFPSSA-N 1 3 347.459 1.625 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(COC)CC1 ZINC000582183037 449031934 /nfs/dbraw/zinc/03/19/34/449031934.db2.gz YOZAVPWZMBZHNJ-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC1(COC)CC1 ZINC000582183037 449031938 /nfs/dbraw/zinc/03/19/38/449031938.db2.gz YOZAVPWZMBZHNJ-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000569578060 449048461 /nfs/dbraw/zinc/04/84/61/449048461.db2.gz GZSCRUKNFPJQOA-HYVNUMGLSA-N 1 3 332.448 1.019 20 0 EDADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617012626 449432417 /nfs/dbraw/zinc/43/24/17/449432417.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 1 3 345.487 1.612 20 0 EDADHO CC(C)(C)N1CC[C@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000617012626 449432421 /nfs/dbraw/zinc/43/24/21/449432421.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000617504921 449649312 /nfs/dbraw/zinc/64/93/12/449649312.db2.gz PJCPNJLLOLTYLE-INIZCTEOSA-N 1 3 347.507 1.684 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCC2)nc1 ZINC000617504921 449649318 /nfs/dbraw/zinc/64/93/18/449649318.db2.gz PJCPNJLLOLTYLE-INIZCTEOSA-N 1 3 347.507 1.684 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCC2)nn1 ZINC000617505032 449649995 /nfs/dbraw/zinc/64/99/95/449649995.db2.gz UEOXNAGKNZVNST-HNNXBMFYSA-N 1 3 348.495 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(N2CCCC2)nn1 ZINC000617505032 449650000 /nfs/dbraw/zinc/65/00/00/449650000.db2.gz UEOXNAGKNZVNST-HNNXBMFYSA-N 1 3 348.495 1.079 20 0 EDADHO CCc1noc2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc12 ZINC000617505171 449651719 /nfs/dbraw/zinc/65/17/19/449651719.db2.gz XEOPGZLEGCNCDK-ZDUSSCGKSA-N 1 3 347.463 1.787 20 0 EDADHO CCc1noc2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc12 ZINC000617505171 449651723 /nfs/dbraw/zinc/65/17/23/449651723.db2.gz XEOPGZLEGCNCDK-ZDUSSCGKSA-N 1 3 347.463 1.787 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000617506221 449652900 /nfs/dbraw/zinc/65/29/00/449652900.db2.gz FZQMVIAAJHSHCR-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000617506221 449652904 /nfs/dbraw/zinc/65/29/04/449652904.db2.gz FZQMVIAAJHSHCR-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1Cc2ccccc2C1=O ZINC000617505973 449654185 /nfs/dbraw/zinc/65/41/85/449654185.db2.gz WWMRARIPSIEKLE-HNNXBMFYSA-N 1 3 346.475 1.031 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1Cc2ccccc2C1=O ZINC000617505973 449654187 /nfs/dbraw/zinc/65/41/87/449654187.db2.gz WWMRARIPSIEKLE-HNNXBMFYSA-N 1 3 346.475 1.031 20 0 EDADHO CCc1csc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617506959 449656916 /nfs/dbraw/zinc/65/69/16/449656916.db2.gz DNGVCMUSJCMDKL-ZDUSSCGKSA-N 1 3 326.510 1.636 20 0 EDADHO CCc1csc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617506959 449656922 /nfs/dbraw/zinc/65/69/22/449656922.db2.gz DNGVCMUSJCMDKL-ZDUSSCGKSA-N 1 3 326.510 1.636 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)N(C)C ZINC000617700448 449745152 /nfs/dbraw/zinc/74/51/52/449745152.db2.gz DZPINNLOHRVTIO-ROUUACIJSA-N 1 3 333.476 1.456 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N(C)C ZINC000617700448 449745158 /nfs/dbraw/zinc/74/51/58/449745158.db2.gz DZPINNLOHRVTIO-ROUUACIJSA-N 1 3 333.476 1.456 20 0 EDADHO CS[C@@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000602800828 449819907 /nfs/dbraw/zinc/81/99/07/449819907.db2.gz VQAJQKNAHDBGEV-QRVBRYPASA-N 1 3 349.544 1.601 20 0 EDADHO CS[C@@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1N(C)C ZINC000602800828 449819909 /nfs/dbraw/zinc/81/99/09/449819909.db2.gz VQAJQKNAHDBGEV-QRVBRYPASA-N 1 3 349.544 1.601 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987695 449972956 /nfs/dbraw/zinc/97/29/56/449972956.db2.gz MVGKRJRGZTUJAX-SJORKVTESA-N 1 3 346.475 1.739 20 0 EDADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000615262475 450024619 /nfs/dbraw/zinc/02/46/19/450024619.db2.gz GHDIKWHINPCBOO-BHIYHBOVSA-N 1 3 349.519 1.963 20 0 EDADHO CN1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262475 450024626 /nfs/dbraw/zinc/02/46/26/450024626.db2.gz GHDIKWHINPCBOO-BHIYHBOVSA-N 1 3 349.519 1.963 20 0 EDADHO CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000613522039 450210849 /nfs/dbraw/zinc/21/08/49/450210849.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 1 3 345.487 1.124 20 0 EDADHO CN1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000613522039 450210854 /nfs/dbraw/zinc/21/08/54/450210854.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 1 3 345.487 1.124 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000623063150 450387237 /nfs/dbraw/zinc/38/72/37/450387237.db2.gz AOGJTRBLJHLQNN-QGZVFWFLSA-N 1 3 331.464 1.260 20 0 EDADHO Cc1ccc(NC(=O)N(C)CCOCC[NH3+])c(OCCN(C)C)c1 ZINC000625862325 450523631 /nfs/dbraw/zinc/52/36/31/450523631.db2.gz BTXKBEPYAQPGSY-UHFFFAOYSA-N 1 3 338.452 1.374 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NCCOCC[NH2+]C)c2)CC1 ZINC000625879082 450526812 /nfs/dbraw/zinc/52/68/12/450526812.db2.gz FYEYDRUULGFXMW-UHFFFAOYSA-N 1 3 349.479 1.186 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCCOC)C2CCN(C)CC2)CC[N@@H+]1C ZINC000633146145 450710345 /nfs/dbraw/zinc/71/03/45/450710345.db2.gz UOTAMZDEDMITFC-DLBZAZTESA-N 1 3 325.497 1.676 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCCOC)C2CCN(C)CC2)CC[N@H+]1C ZINC000633146145 450710349 /nfs/dbraw/zinc/71/03/49/450710349.db2.gz UOTAMZDEDMITFC-DLBZAZTESA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631785194 450773810 /nfs/dbraw/zinc/77/38/10/450773810.db2.gz MUWOJDRDEWLDRE-OAGGEKHMSA-N 1 3 331.526 1.605 20 0 EDADHO NCc1cn([C@H]2CC[N@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844794 450814581 /nfs/dbraw/zinc/81/45/81/450814581.db2.gz MOFFHTOQNMQSFI-ZDUSSCGKSA-N 1 3 328.445 1.836 20 0 EDADHO NCc1cn([C@H]2CC[N@@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844794 450814585 /nfs/dbraw/zinc/81/45/85/450814585.db2.gz MOFFHTOQNMQSFI-ZDUSSCGKSA-N 1 3 328.445 1.836 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621653193 450817507 /nfs/dbraw/zinc/81/75/07/450817507.db2.gz ROEZMJDVBAZXAJ-HNNXBMFYSA-N 1 3 331.464 1.552 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635267797 450796538 /nfs/dbraw/zinc/79/65/38/450796538.db2.gz UVLAOEBXJIZAKD-AWEZNQCLSA-N 1 3 332.448 1.258 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635267797 450796539 /nfs/dbraw/zinc/79/65/39/450796539.db2.gz UVLAOEBXJIZAKD-AWEZNQCLSA-N 1 3 332.448 1.258 20 0 EDADHO Cn1c2cc(CN3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828846 450800778 /nfs/dbraw/zinc/80/07/78/450800778.db2.gz AATZKNQIHPMYNQ-DAYGRLMNSA-N 1 3 345.443 1.850 20 0 EDADHO C[C@H]1CCC[C@H](C)N1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921099 450880031 /nfs/dbraw/zinc/88/00/31/450880031.db2.gz MZZSZPPGAJIXTK-HOTGVXAUSA-N 1 3 331.526 1.655 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631961256 450918039 /nfs/dbraw/zinc/91/80/39/450918039.db2.gz JAOJSWKEILOQOG-HNNXBMFYSA-N 1 3 325.478 1.640 20 0 EDADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962208 450919541 /nfs/dbraw/zinc/91/95/41/450919541.db2.gz FNSRLPWIXPKWLK-MRXNPFEDSA-N 1 3 331.526 1.656 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626931644 451014134 /nfs/dbraw/zinc/01/41/34/451014134.db2.gz JZUPWIYIEHRFSW-HOCLYGCPSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)N(C)C1CC1 ZINC000626970176 451041047 /nfs/dbraw/zinc/04/10/47/451041047.db2.gz KGSRVONJEPESAW-WZRBSPASSA-N 1 3 336.402 1.638 20 0 EDADHO C[C@@H]1CC[C@@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000626984783 451052105 /nfs/dbraw/zinc/05/21/05/451052105.db2.gz KVHPZPWBIXYXHN-RHSMWYFYSA-N 1 3 330.476 1.525 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000626993972 451059833 /nfs/dbraw/zinc/05/98/33/451059833.db2.gz SGRRBIUKRGGACQ-SJLPKXTDSA-N 1 3 348.491 1.432 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000626994926 451060548 /nfs/dbraw/zinc/06/05/48/451060548.db2.gz KCVDSBAYMHTSRL-KBXCAEBGSA-N 1 3 346.475 1.193 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000632135171 451061675 /nfs/dbraw/zinc/06/16/75/451061675.db2.gz YUMCRLQKQHGOOT-UHFFFAOYSA-N 1 3 345.553 1.856 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020661 451085537 /nfs/dbraw/zinc/08/55/37/451085537.db2.gz KGRAAFIRGSYFCV-RYQLBKOJSA-N 1 3 338.496 1.128 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000627034108 451093159 /nfs/dbraw/zinc/09/31/59/451093159.db2.gz YMNSVJMEFZIHRV-NVXWUHKLSA-N 1 3 336.480 1.555 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000626978811 451047707 /nfs/dbraw/zinc/04/77/07/451047707.db2.gz LAUFZJINSYCTFY-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000627178210 451167722 /nfs/dbraw/zinc/16/77/22/451167722.db2.gz RCFJZPGZTGWTIJ-UHFFFAOYSA-N 1 3 348.491 1.448 20 0 EDADHO CCN(C(=O)NCCOCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000627216902 451191689 /nfs/dbraw/zinc/19/16/89/451191689.db2.gz XHDAPBDFAQLFFB-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302478 /nfs/dbraw/zinc/30/24/78/451302478.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 1 3 345.487 1.736 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302481 /nfs/dbraw/zinc/30/24/81/451302481.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H]1NCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H]1C ZINC000638203096 451353279 /nfs/dbraw/zinc/35/32/79/451353279.db2.gz DHWCSUYLMHXMDK-OLZOCXBDSA-N 1 3 345.447 1.126 20 0 EDADHO CN(C)CCn1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000638222561 451365882 /nfs/dbraw/zinc/36/58/82/451365882.db2.gz ASUAXCLCRNMDCG-UHFFFAOYSA-N 1 3 329.448 1.088 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638285904 451403502 /nfs/dbraw/zinc/40/35/02/451403502.db2.gz OAQSIOGZORFIKV-AYBZRNKSSA-N 1 3 331.460 1.379 20 0 EDADHO [NH3+]C[C@@H]1CCN(S(=O)(=O)CCCN2CCCC2)c2ccccc21 ZINC000634563706 451408500 /nfs/dbraw/zinc/40/85/00/451408500.db2.gz NHMZHUDIARAYHQ-HNNXBMFYSA-N 1 3 337.489 1.755 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)CN2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000638310259 451424320 /nfs/dbraw/zinc/42/43/20/451424320.db2.gz QCNCZEZCCJADJZ-IEBWSBKVSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)CN2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000638310259 451424325 /nfs/dbraw/zinc/42/43/25/451424325.db2.gz QCNCZEZCCJADJZ-IEBWSBKVSA-N 1 3 344.503 1.309 20 0 EDADHO CN(C)CCn1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cn1 ZINC000630843800 451434533 /nfs/dbraw/zinc/43/45/33/451434533.db2.gz SFSJCSYBHOEESL-UHFFFAOYSA-N 1 3 335.496 1.781 20 0 EDADHO CN(C)CCn1cc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cn1 ZINC000630843800 451434541 /nfs/dbraw/zinc/43/45/41/451434541.db2.gz SFSJCSYBHOEESL-UHFFFAOYSA-N 1 3 335.496 1.781 20 0 EDADHO COc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1OCCN(C)C ZINC000636034865 451455806 /nfs/dbraw/zinc/45/58/06/451455806.db2.gz XUSPMRJGZBPNCV-UHFFFAOYSA-N 1 3 335.448 1.916 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375107 451471705 /nfs/dbraw/zinc/47/17/05/451471705.db2.gz DNUIWSYWBMMDLZ-IRXDYDNUSA-N 1 3 330.476 1.237 20 0 EDADHO CCc1nncn1CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634705769 451482546 /nfs/dbraw/zinc/48/25/46/451482546.db2.gz FTIGPJXMDZTSKA-GOSISDBHSA-N 1 3 329.448 1.067 20 0 EDADHO CCc1nncn1CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634705769 451482551 /nfs/dbraw/zinc/48/25/51/451482551.db2.gz FTIGPJXMDZTSKA-GOSISDBHSA-N 1 3 329.448 1.067 20 0 EDADHO CO[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000638459905 451525730 /nfs/dbraw/zinc/52/57/30/451525730.db2.gz NNJYACXRDGDIRT-YJBOKZPZSA-N 1 3 325.497 1.186 20 0 EDADHO CO[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)[C@@H]1CCOC1 ZINC000638463400 451528026 /nfs/dbraw/zinc/52/80/26/451528026.db2.gz UNFJWDVECFDSOG-IEBWSBKVSA-N 1 3 348.491 1.235 20 0 EDADHO C[NH+]1CCC(NCc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631036148 451544181 /nfs/dbraw/zinc/54/41/81/451544181.db2.gz XDMKNXQVWVYPKS-UHFFFAOYSA-N 1 3 333.476 1.581 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000631048511 451553434 /nfs/dbraw/zinc/55/34/34/451553434.db2.gz ZRUKSUGYAWIDAA-UHFFFAOYSA-N 1 3 326.444 1.824 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000638525736 451558565 /nfs/dbraw/zinc/55/85/65/451558565.db2.gz CHGDDWRAFLHIPF-OAHLLOKOSA-N 1 3 332.448 1.305 20 0 EDADHO C[N@@H+]1CCCN(CCCNCc2ccncc2Br)CC1 ZINC000631063140 451562881 /nfs/dbraw/zinc/56/28/81/451562881.db2.gz CLBGRTVZKKRWSI-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO C[N@H+]1CCCN(CCCNCc2ccncc2Br)CC1 ZINC000631063140 451562885 /nfs/dbraw/zinc/56/28/85/451562885.db2.gz CLBGRTVZKKRWSI-UHFFFAOYSA-N 1 3 341.297 1.961 20 0 EDADHO CC(C)OCCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638726956 451667387 /nfs/dbraw/zinc/66/73/87/451667387.db2.gz YUJZRTAZXVHMKC-UHFFFAOYSA-N 1 3 341.540 1.701 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cn2)CC1 ZINC000632961492 451670085 /nfs/dbraw/zinc/67/00/85/451670085.db2.gz RTWYMXGNUKWYMF-HDJSIYSDSA-N 1 3 334.468 1.789 20 0 EDADHO CN1CCC(n2cc(NC(=O)NCC3(C)CC[NH2+]CC3)cn2)CC1 ZINC000632961323 451670571 /nfs/dbraw/zinc/67/05/71/451670571.db2.gz QYPIFQIHTQKRLU-UHFFFAOYSA-N 1 3 334.468 1.661 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000632961218 451670596 /nfs/dbraw/zinc/67/05/96/451670596.db2.gz PMLCWLPAWUHOJV-GOSISDBHSA-N 1 3 346.479 1.757 20 0 EDADHO [NH3+]CCc1ccccc1C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985498 451746810 /nfs/dbraw/zinc/74/68/10/451746810.db2.gz IKLBBKFIFYKISW-UHFFFAOYSA-N 1 3 325.416 1.245 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207526 451756410 /nfs/dbraw/zinc/75/64/10/451756410.db2.gz YZOVHVYBXYWXBW-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000637264963 451774520 /nfs/dbraw/zinc/77/45/20/451774520.db2.gz NWSBCZLQGSNOAD-ARFHVFGLSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000637264963 451774522 /nfs/dbraw/zinc/77/45/22/451774522.db2.gz NWSBCZLQGSNOAD-ARFHVFGLSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000642113223 451824118 /nfs/dbraw/zinc/82/41/18/451824118.db2.gz MHCYALXMNJVLTF-NVXWUHKLSA-N 1 3 346.475 1.039 20 0 EDADHO CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000644580842 451874761 /nfs/dbraw/zinc/87/47/61/451874761.db2.gz ZAPCJIRSBWPGEI-LJQANCHMSA-N 1 3 336.476 1.519 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000639452405 451875318 /nfs/dbraw/zinc/87/53/18/451875318.db2.gz BGRGHSIJAZQIOX-UHFFFAOYSA-N 1 3 348.491 1.847 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000642439320 451878829 /nfs/dbraw/zinc/87/88/29/451878829.db2.gz BHKWEZOHOVAZRH-OAHLLOKOSA-N 1 3 338.496 1.145 20 0 EDADHO COCCC1(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293137 451969951 /nfs/dbraw/zinc/96/99/51/451969951.db2.gz AHKPDMPGQJGVHI-HZPDHXFCSA-N 1 3 325.497 1.629 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000649299467 451977303 /nfs/dbraw/zinc/97/73/03/451977303.db2.gz XPWMCNHOQKRRJR-LSDHHAIUSA-N 1 3 325.522 1.839 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000649320076 451997929 /nfs/dbraw/zinc/99/79/29/451997929.db2.gz NOYORVLHPUJZFC-MJGOQNOKSA-N 1 3 345.487 1.635 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651642 451999045 /nfs/dbraw/zinc/99/90/45/451999045.db2.gz MBHOOZDUXCHSIZ-WMZOPIPTSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1(C)CNC1 ZINC000649336732 452017873 /nfs/dbraw/zinc/01/78/73/452017873.db2.gz QUMVDBQOCJNWBS-MNZLEMJZSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1(C)CNC1 ZINC000649336732 452017880 /nfs/dbraw/zinc/01/78/80/452017880.db2.gz QUMVDBQOCJNWBS-MNZLEMJZSA-N 1 3 345.487 1.638 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)c2ccccc2O1 ZINC000649347009 452030854 /nfs/dbraw/zinc/03/08/54/452030854.db2.gz ABJORCYFYKOABW-LSDHHAIUSA-N 1 3 333.432 1.111 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351833 452035063 /nfs/dbraw/zinc/03/50/63/452035063.db2.gz WVMROBSRYTVFMS-LZQZEXGQSA-N 1 3 340.471 1.908 20 0 EDADHO NC[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078562 452046586 /nfs/dbraw/zinc/04/65/86/452046586.db2.gz BBKFXMBJYONOCZ-HOCLYGCPSA-N 1 3 335.423 1.082 20 0 EDADHO Cn1cc(N2CCC[C@H](N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418224 452080185 /nfs/dbraw/zinc/08/01/85/452080185.db2.gz LCZMXBXGIYKPAE-JZXOWHBKSA-N 1 3 345.491 1.627 20 0 EDADHO CC[N@H+](C[C@H](O)CN(C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153388 /nfs/dbraw/zinc/15/33/88/452153388.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 1 3 325.419 1.646 20 0 EDADHO CC[N@@H+](C[C@H](O)CN(C)C(C)C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818748 452153392 /nfs/dbraw/zinc/15/33/92/452153392.db2.gz CWUBCHQATSLDHO-UONOGXRCSA-N 1 3 325.419 1.646 20 0 EDADHO C[NH+]1CCC2(CC1)CN(C(=O)NC1CCN(C3CC3)CC1)CCO2 ZINC000645142433 452175196 /nfs/dbraw/zinc/17/51/96/452175196.db2.gz FQHVKSRCWAUFGR-UHFFFAOYSA-N 1 3 336.480 1.119 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639881206 452216884 /nfs/dbraw/zinc/21/68/84/452216884.db2.gz VAAVAOPTYJBWEK-DLBZAZTESA-N 1 3 327.513 1.263 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639881206 452216893 /nfs/dbraw/zinc/21/68/93/452216893.db2.gz VAAVAOPTYJBWEK-DLBZAZTESA-N 1 3 327.513 1.263 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000643481262 452244149 /nfs/dbraw/zinc/24/41/49/452244149.db2.gz AWSCMBXXEQCIPM-YOEHRIQHSA-N 1 3 337.489 1.704 20 0 EDADHO [NH3+]C1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CCCC1 ZINC000659437596 452284868 /nfs/dbraw/zinc/28/48/68/452284868.db2.gz DSLKCSDDLBJKNG-UHFFFAOYSA-N 1 3 340.537 1.919 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659438163 452286009 /nfs/dbraw/zinc/28/60/09/452286009.db2.gz PITNVIIVAKARGE-TVRKMHQQSA-N 1 3 328.460 1.702 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442648 452291771 /nfs/dbraw/zinc/29/17/71/452291771.db2.gz RBQULSYHISTBGJ-PSPFXIJKSA-N 1 3 328.460 1.873 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C(C)C ZINC000638047389 452314805 /nfs/dbraw/zinc/31/48/05/452314805.db2.gz GKTXNXPWYRJDMR-SFHVURJKSA-N 1 3 334.508 1.681 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000665762329 452341435 /nfs/dbraw/zinc/34/14/35/452341435.db2.gz AUWRVJRQULFLOZ-LZWOXQAQSA-N 1 3 346.466 1.945 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000665762329 452341443 /nfs/dbraw/zinc/34/14/43/452341443.db2.gz AUWRVJRQULFLOZ-LZWOXQAQSA-N 1 3 346.466 1.945 20 0 EDADHO CCC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665762959 452343706 /nfs/dbraw/zinc/34/37/06/452343706.db2.gz VOJHQHMRMQZRSR-FUHWJXTLSA-N 1 3 342.528 1.453 20 0 EDADHO CCC[C@@]1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665762959 452343715 /nfs/dbraw/zinc/34/37/15/452343715.db2.gz VOJHQHMRMQZRSR-FUHWJXTLSA-N 1 3 342.528 1.453 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@H]1C ZINC000665763786 452348439 /nfs/dbraw/zinc/34/84/39/452348439.db2.gz LPGSXTNITWHGIY-PMPSAXMXSA-N 1 3 328.501 1.325 20 0 EDADHO CO[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@H]1C ZINC000665763786 452348452 /nfs/dbraw/zinc/34/84/52/452348452.db2.gz LPGSXTNITWHGIY-PMPSAXMXSA-N 1 3 328.501 1.325 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](CCCO)C1 ZINC000665764225 452349217 /nfs/dbraw/zinc/34/92/17/452349217.db2.gz YKUNCDJHRGGBTA-JKSUJKDBSA-N 1 3 328.501 1.062 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)CCN1Cc1ccccc1 ZINC000659492769 452355590 /nfs/dbraw/zinc/35/55/90/452355590.db2.gz KFFINTJGTQGTSH-HCMQPCSISA-N 1 3 328.460 1.701 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174516 452368354 /nfs/dbraw/zinc/36/83/54/452368354.db2.gz WOSZHNGYVNVYQD-XMTFNYHQSA-N 1 3 346.475 1.437 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070538 452377069 /nfs/dbraw/zinc/37/70/69/452377069.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070538 452377078 /nfs/dbraw/zinc/37/70/78/452377078.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659538112 452397863 /nfs/dbraw/zinc/39/78/63/452397863.db2.gz VTCHOWRLBAFFOK-JLSDUUJJSA-N 1 3 346.475 1.050 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616320 452473864 /nfs/dbraw/zinc/47/38/64/452473864.db2.gz FRSFZWCOWDHLQQ-UHFFFAOYSA-N 1 3 334.439 1.651 20 0 EDADHO CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000659616503 452475721 /nfs/dbraw/zinc/47/57/21/452475721.db2.gz LERMWIZCUFVDOL-HFCFLWKCSA-N 1 3 328.460 1.654 20 0 EDADHO CCS(=O)(=O)C1(CNCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000657757578 452505335 /nfs/dbraw/zinc/50/53/35/452505335.db2.gz KTNQVMQRNNABJS-UHFFFAOYSA-N 1 3 340.489 1.684 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000659680748 452552198 /nfs/dbraw/zinc/55/21/98/452552198.db2.gz KAEFUOYBOVVOPZ-HNNXBMFYSA-N 1 3 346.475 1.013 20 0 EDADHO CN(CCC[NH+](C)C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000666151178 452644556 /nfs/dbraw/zinc/64/45/56/452644556.db2.gz FHNIEKFEMJPETD-UHFFFAOYSA-N 1 3 347.507 1.887 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923096 452688237 /nfs/dbraw/zinc/68/82/37/452688237.db2.gz UEPIAHYTVQSQEG-YPMHNXCESA-N 1 3 332.370 1.696 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000661976006 452730607 /nfs/dbraw/zinc/73/06/07/452730607.db2.gz QOBYYELFZQGXTM-IXDOHACOSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000661976006 452730614 /nfs/dbraw/zinc/73/06/14/452730614.db2.gz QOBYYELFZQGXTM-IXDOHACOSA-N 1 3 336.480 1.166 20 0 EDADHO COCC1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966605 452748335 /nfs/dbraw/zinc/74/83/35/452748335.db2.gz BKGVGVNUYXAZCJ-JKSUJKDBSA-N 1 3 338.496 1.319 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652624853 452783638 /nfs/dbraw/zinc/78/36/38/452783638.db2.gz ONIALFVRKADBEM-UHFFFAOYSA-N 1 3 334.464 1.439 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652624853 452783644 /nfs/dbraw/zinc/78/36/44/452783644.db2.gz ONIALFVRKADBEM-UHFFFAOYSA-N 1 3 334.464 1.439 20 0 EDADHO CC[C@H](OCC[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000650710758 452948174 /nfs/dbraw/zinc/94/81/74/452948174.db2.gz YYFSBUUEQJTZFP-AEFFLSMTSA-N 1 3 333.476 1.941 20 0 EDADHO Cc1cc(C(=O)NC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)o1 ZINC000662255116 452982848 /nfs/dbraw/zinc/98/28/48/452982848.db2.gz AATOTMWSQSLOEN-INIZCTEOSA-N 1 3 347.459 1.612 20 0 EDADHO O=C(CC[NH2+]C1(CO)CCNCC1)NCc1ccccc1Cl ZINC000662285356 453010132 /nfs/dbraw/zinc/01/01/32/453010132.db2.gz CNLBIBXJRFVAFM-UHFFFAOYSA-N 1 3 325.840 1.050 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000664410256 453072206 /nfs/dbraw/zinc/07/22/06/453072206.db2.gz UGDCMSNSQNNJHO-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO CCN(CC)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccsc1 ZINC000662383507 453092447 /nfs/dbraw/zinc/09/24/47/453092447.db2.gz AEIITUSHIGMFMU-CQSZACIVSA-N 1 3 336.465 1.111 20 0 EDADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402925 453115368 /nfs/dbraw/zinc/11/53/68/453115368.db2.gz GPZZATQOSUXIKI-UONOGXRCSA-N 1 3 334.464 1.992 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434400 453142838 /nfs/dbraw/zinc/14/28/38/453142838.db2.gz BBGWDKMOMFOSBT-GOEBONIOSA-N 1 3 332.448 1.320 20 0 EDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434400 453142842 /nfs/dbraw/zinc/14/28/42/453142842.db2.gz BBGWDKMOMFOSBT-GOEBONIOSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1CN)C1CC[NH+](C)CC1 ZINC000646189438 453202569 /nfs/dbraw/zinc/20/25/69/453202569.db2.gz IVKLKIWWTNXHQF-KDOFPFPSSA-N 1 3 330.476 1.984 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662573932 453300671 /nfs/dbraw/zinc/30/06/71/453300671.db2.gz IDWJAZRZJBZAOT-GGPKGHCWSA-N 1 3 343.471 1.966 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660175 453373078 /nfs/dbraw/zinc/37/30/78/453373078.db2.gz YZFKINXCQYWALX-ZIAGYGMSSA-N 1 3 329.366 1.651 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000662660175 453373080 /nfs/dbraw/zinc/37/30/80/453373080.db2.gz YZFKINXCQYWALX-ZIAGYGMSSA-N 1 3 329.366 1.651 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CO2 ZINC000651228298 453377964 /nfs/dbraw/zinc/37/79/64/453377964.db2.gz OFTMFYLRQPKVFR-IRXDYDNUSA-N 1 3 345.487 1.757 20 0 EDADHO O=C(N[C@H]1CCN(C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668897 453381729 /nfs/dbraw/zinc/38/17/29/453381729.db2.gz SDBHOAJHNPOHQD-CABCVRRESA-N 1 3 346.479 1.167 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673503 453388659 /nfs/dbraw/zinc/38/86/59/453388659.db2.gz LMEITLPMAQWIOO-ZWKOTPCHSA-N 1 3 331.460 1.393 20 0 EDADHO CC[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662680394 453399675 /nfs/dbraw/zinc/39/96/75/453399675.db2.gz TVFQIUDKLQXAAC-FGTMMUONSA-N 1 3 331.460 1.303 20 0 EDADHO C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H](C)C1 ZINC000662680737 453400342 /nfs/dbraw/zinc/40/03/42/453400342.db2.gz XDQMMQVWYPSAFU-BZUAXINKSA-N 1 3 348.495 1.443 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660634709 453477330 /nfs/dbraw/zinc/47/73/30/453477330.db2.gz SYTAZEULOVYNLS-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660634709 453477332 /nfs/dbraw/zinc/47/73/32/453477332.db2.gz SYTAZEULOVYNLS-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000660734169 453554193 /nfs/dbraw/zinc/55/41/93/453554193.db2.gz HZEYQJSTGDDOIA-SFHVURJKSA-N 1 3 344.503 1.869 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000660734169 453554195 /nfs/dbraw/zinc/55/41/95/453554195.db2.gz HZEYQJSTGDDOIA-SFHVURJKSA-N 1 3 344.503 1.869 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662859477 453574187 /nfs/dbraw/zinc/57/41/87/453574187.db2.gz NGRLHIINHJBHHD-GBESFXJTSA-N 1 3 343.471 1.400 20 0 EDADHO CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C12CCC2 ZINC000665118986 453581559 /nfs/dbraw/zinc/58/15/59/453581559.db2.gz KERSEMQGYAAMTM-ARFHVFGLSA-N 1 3 340.512 1.515 20 0 EDADHO CO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C12CCC2 ZINC000665118986 453581560 /nfs/dbraw/zinc/58/15/60/453581560.db2.gz KERSEMQGYAAMTM-ARFHVFGLSA-N 1 3 340.512 1.515 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660827833 453591918 /nfs/dbraw/zinc/59/19/18/453591918.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660827833 453591922 /nfs/dbraw/zinc/59/19/22/453591922.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240923 453621213 /nfs/dbraw/zinc/62/12/13/453621213.db2.gz VZHTUVJRTFFQEU-QFBILLFUSA-N 1 3 332.492 1.650 20 0 EDADHO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H](N)c1ccccc1 ZINC000662972750 453630506 /nfs/dbraw/zinc/63/05/06/453630506.db2.gz LFIZDAAYGSPGSL-CGTJXYLNSA-N 1 3 333.476 1.892 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035873 453689241 /nfs/dbraw/zinc/68/92/41/453689241.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661035873 453689245 /nfs/dbraw/zinc/68/92/45/453689245.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000663448545 453801097 /nfs/dbraw/zinc/80/10/97/453801097.db2.gz ZWNORNCKMHHQMX-QZTJIDSGSA-N 1 3 332.492 1.943 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1 ZINC000663448545 453801099 /nfs/dbraw/zinc/80/10/99/453801099.db2.gz ZWNORNCKMHHQMX-QZTJIDSGSA-N 1 3 332.492 1.943 20 0 EDADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673512683 487030602 /nfs/dbraw/zinc/03/06/02/487030602.db2.gz MAFLENLQXROBCX-RTBURBONSA-N 1 3 343.471 1.564 20 0 EDADHO Cc1ccc(CCC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cn1 ZINC000684358492 487037395 /nfs/dbraw/zinc/03/73/95/487037395.db2.gz ZUWGLPVAOOHAMR-UHFFFAOYSA-N 1 3 332.492 1.712 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000675875339 487455961 /nfs/dbraw/zinc/45/59/61/487455961.db2.gz SGMAXPROOAEWMM-KRWDZBQOSA-N 1 3 344.507 1.204 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942715 485476531 /nfs/dbraw/zinc/47/65/31/485476531.db2.gz MFEZOEOXCQWOSF-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669513916 485480699 /nfs/dbraw/zinc/48/06/99/485480699.db2.gz VRZMAHWGIBNEOY-WBVHZDCISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CCO1 ZINC000669583556 485632697 /nfs/dbraw/zinc/63/26/97/485632697.db2.gz WJMBZSKIRGCVSX-OTRWWLKZSA-N 1 3 334.464 1.435 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000669139183 485728603 /nfs/dbraw/zinc/72/86/03/485728603.db2.gz AMUNLQZWIVOXRX-WBVHZDCISA-N 1 3 332.448 1.130 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCN2CCc3ccccc3C2)CCO1 ZINC000669312784 485960207 /nfs/dbraw/zinc/96/02/07/485960207.db2.gz UUSVBJBJEJOANT-CRAIPNDOSA-N 1 3 346.475 1.192 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000669420398 486139496 /nfs/dbraw/zinc/13/94/96/486139496.db2.gz LLQLXVOTGWIUNF-KRWDZBQOSA-N 1 3 330.476 1.950 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCN(CCO)C(C)(C)C2)cc1 ZINC000682166255 486560840 /nfs/dbraw/zinc/56/08/40/486560840.db2.gz KWCKMXLJYZLHAS-UHFFFAOYSA-N 1 3 335.492 1.516 20 0 EDADHO OCCOC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639546561 501084422 /nfs/dbraw/zinc/08/44/22/501084422.db2.gz BUPHWZXKXSWFMD-IBGZPJMESA-N 1 3 334.460 1.097 20 0 EDADHO OCCOC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639546561 501084425 /nfs/dbraw/zinc/08/44/25/501084425.db2.gz BUPHWZXKXSWFMD-IBGZPJMESA-N 1 3 334.460 1.097 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)NCC1=CC[NH2+]CC1 ZINC000423359291 518182571 /nfs/dbraw/zinc/18/25/71/518182571.db2.gz UVWWDPGROREKQZ-LLVKDONJSA-N 1 3 326.238 1.509 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000168096499 534590683 /nfs/dbraw/zinc/59/06/83/534590683.db2.gz DGSVRYWGWPKMAM-LJQANCHMSA-N 1 3 345.487 1.548 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000173997501 528291928 /nfs/dbraw/zinc/29/19/28/528291928.db2.gz HVTYFGNUNMAESM-IRXDYDNUSA-N 1 3 341.544 1.145 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1cccnc1 ZINC000352824629 535591955 /nfs/dbraw/zinc/59/19/55/535591955.db2.gz ABTTVKVDLJWTIR-SFHVURJKSA-N 1 3 348.491 1.473 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COCc1cccnc1 ZINC000352824629 535591960 /nfs/dbraw/zinc/59/19/60/535591960.db2.gz ABTTVKVDLJWTIR-SFHVURJKSA-N 1 3 348.491 1.473 20 0 EDADHO CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261550828 536003903 /nfs/dbraw/zinc/00/39/03/536003903.db2.gz PSUASASBGXYJNB-SJORKVTESA-N 1 3 333.501 1.814 20 0 EDADHO O=C(CCCC[NH+]1CCCC1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000729347160 578564579 /nfs/dbraw/zinc/56/45/79/578564579.db2.gz NKCSUWAPFIIWCH-SFHVURJKSA-N 1 3 337.508 1.966 20 0 EDADHO C[C@H](CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275113 578804294 /nfs/dbraw/zinc/80/42/94/578804294.db2.gz OVUPBJZLMJPZSX-RHSMWYFYSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H](CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)[N@@H+](C)C1CC1 ZINC000734275113 578804295 /nfs/dbraw/zinc/80/42/95/578804295.db2.gz OVUPBJZLMJPZSX-RHSMWYFYSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000749491658 579728585 /nfs/dbraw/zinc/72/85/85/579728585.db2.gz WWWOXTFNYOMNCC-OAGGEKHMSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000749491658 579728587 /nfs/dbraw/zinc/72/85/87/579728587.db2.gz WWWOXTFNYOMNCC-OAGGEKHMSA-N 1 3 341.496 1.821 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)N[C@H](C)COC ZINC000751011371 579791215 /nfs/dbraw/zinc/79/12/15/579791215.db2.gz OPGZPTPRHFBZRK-CABCVRRESA-N 1 3 330.542 1.244 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)N[C@H](C)COC ZINC000751011371 579791216 /nfs/dbraw/zinc/79/12/16/579791216.db2.gz OPGZPTPRHFBZRK-CABCVRRESA-N 1 3 330.542 1.244 20 0 EDADHO Cc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc(N)n1 ZINC000751111545 579794581 /nfs/dbraw/zinc/79/45/81/579794581.db2.gz ZOJVQTGBTUTOTR-UHFFFAOYSA-N 1 3 346.523 2.000 20 0 EDADHO C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000776637869 580425070 /nfs/dbraw/zinc/42/50/70/580425070.db2.gz HDHISAPHJCSIAO-JSNVTFDYSA-N 1 3 343.471 1.993 20 0 EDADHO CN(C)CCNC(=S)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000795002462 580910419 /nfs/dbraw/zinc/91/04/19/580910419.db2.gz ARAOFUXDUVYZED-CALCHBBNSA-N 1 3 332.517 1.486 20 0 EDADHO CN(C)CCNC(=S)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000795002462 580910420 /nfs/dbraw/zinc/91/04/20/580910420.db2.gz ARAOFUXDUVYZED-CALCHBBNSA-N 1 3 332.517 1.486 20 0 EDADHO CN(C)CCN1CCC([NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795893901 580940474 /nfs/dbraw/zinc/94/04/74/580940474.db2.gz KESAXOUPMXMTMC-UHFFFAOYSA-N 1 3 325.497 1.535 20 0 EDADHO O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@@H]1CNCCC1(F)F ZINC000892155201 590826711 /nfs/dbraw/zinc/82/67/11/590826711.db2.gz CFSDFPKIBVFTDA-CHWSQXEVSA-N 1 3 330.423 1.595 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211134 590865526 /nfs/dbraw/zinc/86/55/26/590865526.db2.gz IBSLCLYUMDFKCK-AEFFLSMTSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211134 590865529 /nfs/dbraw/zinc/86/55/29/590865529.db2.gz IBSLCLYUMDFKCK-AEFFLSMTSA-N 1 3 332.492 1.800 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530692 591060861 /nfs/dbraw/zinc/06/08/61/591060861.db2.gz VDIFFQJZEJHQKC-MJGOQNOKSA-N 1 3 330.476 1.950 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530167 591061422 /nfs/dbraw/zinc/06/14/22/591061422.db2.gz JWLMHTBNLAPNIY-KRWDZBQOSA-N 1 3 346.475 1.376 20 0 EDADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892544909 591067529 /nfs/dbraw/zinc/06/75/29/591067529.db2.gz JEPWXHILNZNSJI-JKSUJKDBSA-N 1 3 329.460 1.236 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891540181 591117330 /nfs/dbraw/zinc/11/73/30/591117330.db2.gz MEEGQRCWGFNOBZ-UPJWGTAASA-N 1 3 336.402 1.639 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000891645269 591166626 /nfs/dbraw/zinc/16/66/26/591166626.db2.gz CDMJYVZNTQONIW-YOEHRIQHSA-N 1 3 346.475 1.274 20 0 EDADHO CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(C2CC2)C1 ZINC000892776449 591171942 /nfs/dbraw/zinc/17/19/42/591171942.db2.gz OBFCOTPPIRLKII-CVEARBPZSA-N 1 3 336.480 1.023 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892792614 591177806 /nfs/dbraw/zinc/17/78/06/591177806.db2.gz PRTWAGIXIKBKQO-KURKYZTESA-N 1 3 328.460 1.437 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892792614 591177810 /nfs/dbraw/zinc/17/78/10/591177810.db2.gz PRTWAGIXIKBKQO-KURKYZTESA-N 1 3 328.460 1.437 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892807733 591186919 /nfs/dbraw/zinc/18/69/19/591186919.db2.gz FSBVUAPAQGHBEB-SFHVURJKSA-N 1 3 330.476 1.684 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892802392 591187052 /nfs/dbraw/zinc/18/70/52/591187052.db2.gz FKYMBCRXHCXDRE-MAUKXSAKSA-N 1 3 330.476 1.684 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892802392 591187053 /nfs/dbraw/zinc/18/70/53/591187053.db2.gz FKYMBCRXHCXDRE-MAUKXSAKSA-N 1 3 330.476 1.684 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000891703848 591192883 /nfs/dbraw/zinc/19/28/83/591192883.db2.gz IYJWKWMRICTZOU-FMKPAKJESA-N 1 3 331.464 1.738 20 0 EDADHO CCN(C(=O)NCC1CCN(c2ccncc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891746337 591207610 /nfs/dbraw/zinc/20/76/10/591207610.db2.gz FYLRSORPJDZDFR-QGZVFWFLSA-N 1 3 331.464 1.691 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3CN(C)C[C@H]32)CC[NH+](C)CC1 ZINC000894953275 591498534 /nfs/dbraw/zinc/49/85/34/591498534.db2.gz GOZCRESIRXHVSU-UONOGXRCSA-N 1 3 326.510 1.159 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000898990120 591627217 /nfs/dbraw/zinc/62/72/17/591627217.db2.gz YJEQUVFRWSAPKK-BBWFWOEESA-N 1 3 340.512 1.203 20 0 EDADHO C[C@H](CC[NH2+]Cc1ccc(OCCN2CCOCC2)cc1)N(C)C ZINC000895290554 591704236 /nfs/dbraw/zinc/70/42/36/591704236.db2.gz LZHOPQOVEDOXQR-QGZVFWFLSA-N 1 3 335.492 1.827 20 0 EDADHO COC[C@H](CCC[NH3+])NCc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000902514479 592008715 /nfs/dbraw/zinc/00/87/15/592008715.db2.gz NYFFPRKFPXHJDB-HNNXBMFYSA-N 1 3 341.477 1.434 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C12CC[NH+](CC1)C2 ZINC000900414756 592012627 /nfs/dbraw/zinc/01/26/27/592012627.db2.gz LDQZJDCRHFBLES-UHFFFAOYSA-N 1 3 337.414 1.951 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000900523234 592036314 /nfs/dbraw/zinc/03/63/14/592036314.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 1 3 326.529 1.639 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCN1CCN(C(C)C)CC1 ZINC000900523234 592036316 /nfs/dbraw/zinc/03/63/16/592036316.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 1 3 326.529 1.639 20 0 EDADHO CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3CCCCN3C[C@H]2C)CC1 ZINC000900745078 592116039 /nfs/dbraw/zinc/11/60/39/592116039.db2.gz IWDKEKVMZZWZAG-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO O=c1[nH]c2cccc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)c2[nH]1 ZINC000903577708 592228610 /nfs/dbraw/zinc/22/86/10/592228610.db2.gz RWRIBSNENCVILF-CQSZACIVSA-N 1 3 329.448 1.780 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000906646124 592232062 /nfs/dbraw/zinc/23/20/62/592232062.db2.gz YMPZIAZSUVNZMW-UHFFFAOYSA-N 1 3 344.459 1.562 20 0 EDADHO [NH3+][C@@H]1CN(Cc2ccc(N3CCNCC3)o2)CC[C@@H]1C(F)(F)F ZINC000904388029 592248270 /nfs/dbraw/zinc/24/82/70/592248270.db2.gz AJYCDYHUBRQJIN-QWHCGFSZSA-N 1 3 332.370 1.401 20 0 EDADHO O=C(CC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723631 592284004 /nfs/dbraw/zinc/28/40/04/592284004.db2.gz XDLMJPSZRRSWKN-PKOBYXMFSA-N 1 3 335.492 1.480 20 0 EDADHO O=C1[C@H]2CN(C[C@@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767232 592310007 /nfs/dbraw/zinc/31/00/07/592310007.db2.gz FYCXHDBUNLOUHE-KURKYZTESA-N 1 3 341.455 1.493 20 0 EDADHO COC(=O)CCN1CCC[C@H](N2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790786 592316408 /nfs/dbraw/zinc/31/64/08/592316408.db2.gz AOQJDSMIAFNOMC-HNNXBMFYSA-N 1 3 339.480 1.237 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764183 592320510 /nfs/dbraw/zinc/32/05/10/592320510.db2.gz ANQGQUDGUSCRQR-LJQANCHMSA-N 1 3 344.459 1.350 20 0 EDADHO Cc1cnn([C@@H]2CCCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893279 592365835 /nfs/dbraw/zinc/36/58/35/592365835.db2.gz UIXILZNTAGNSKJ-FUHWJXTLSA-N 1 3 330.480 1.688 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)C2(O)CCOCC2)c1 ZINC000905051144 592380957 /nfs/dbraw/zinc/38/09/57/592380957.db2.gz BOLIFHWVXSQJKL-SFHVURJKSA-N 1 3 336.476 1.520 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C1(O)CCC1 ZINC000905208492 592465616 /nfs/dbraw/zinc/46/56/16/592465616.db2.gz KPKUBRIXIWJGFL-FCGDIQPGSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1(O)CCC1 ZINC000905208492 592465618 /nfs/dbraw/zinc/46/56/18/592465618.db2.gz KPKUBRIXIWJGFL-FCGDIQPGSA-N 1 3 330.472 1.763 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1(O)CCC1 ZINC000905208492 592465621 /nfs/dbraw/zinc/46/56/21/592465621.db2.gz KPKUBRIXIWJGFL-FCGDIQPGSA-N 1 3 330.472 1.763 20 0 EDADHO CN1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1(C)C ZINC000905249453 592476787 /nfs/dbraw/zinc/47/67/87/592476787.db2.gz YVIOODFVXOJXRZ-MRXNPFEDSA-N 1 3 327.513 1.048 20 0 EDADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H](CN2CCCCC2)C1 ZINC000905339285 592510810 /nfs/dbraw/zinc/51/08/10/592510810.db2.gz YQSVQNDDDMAYMP-INIZCTEOSA-N 1 3 329.510 1.124 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)CC1 ZINC000908592040 592556373 /nfs/dbraw/zinc/55/63/73/592556373.db2.gz FURQMMXHZGEKLX-JYJNAYRXSA-N 1 3 325.497 1.599 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 ZINC000911734575 592992354 /nfs/dbraw/zinc/99/23/54/592992354.db2.gz CLMGGHBMGLRFIP-NEPJUHHUSA-N 1 3 329.366 1.574 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)c2ccc3c(c2)OCCNC3)cc1 ZINC000911737843 592993281 /nfs/dbraw/zinc/99/32/81/592993281.db2.gz ZTBGAJDMZSDVEZ-UHFFFAOYSA-N 1 3 325.412 1.600 20 0 EDADHO CON(C)C(=O)C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000812778074 593509054 /nfs/dbraw/zinc/50/90/54/593509054.db2.gz AZZVYSBQNDIWJU-UHFFFAOYSA-N 1 3 349.475 1.859 20 0 EDADHO CCOC(CN1CCCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000817285217 593589102 /nfs/dbraw/zinc/58/91/02/593589102.db2.gz HNGFTTOPAQLSMY-UHFFFAOYSA-N 1 3 327.513 1.878 20 0 EDADHO CCOC(CN1CCC[N@@H+](C2CCN(CC)CC2)CC1)OCC ZINC000817285217 593589104 /nfs/dbraw/zinc/58/91/04/593589104.db2.gz HNGFTTOPAQLSMY-UHFFFAOYSA-N 1 3 327.513 1.878 20 0 EDADHO CCOC(CN1CCC[N@H+](C2CCN(CC)CC2)CC1)OCC ZINC000817285217 593589105 /nfs/dbraw/zinc/58/91/05/593589105.db2.gz HNGFTTOPAQLSMY-UHFFFAOYSA-N 1 3 327.513 1.878 20 0 EDADHO Cn1ncc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000815122804 593616636 /nfs/dbraw/zinc/61/66/36/593616636.db2.gz SCSXAASWHZXYHW-UHFFFAOYSA-N 1 3 348.882 1.770 20 0 EDADHO C[NH+](C)C1CCN(CC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821583422 593869264 /nfs/dbraw/zinc/86/92/64/593869264.db2.gz UXJYDYBZSIXYSQ-UHFFFAOYSA-N 1 3 335.481 1.044 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1 ZINC000824094569 593928209 /nfs/dbraw/zinc/92/82/09/593928209.db2.gz IYSLVPXNNMFJKY-MWDXBVQZSA-N 1 3 347.507 1.300 20 0 EDADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nnn[n-]2)c1 ZINC000824584787 594042783 /nfs/dbraw/zinc/04/27/83/594042783.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nnn[n-]2)c1 ZINC000824584787 594042784 /nfs/dbraw/zinc/04/27/84/594042784.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000824584787 594042785 /nfs/dbraw/zinc/04/27/85/594042785.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[n-]n2)c1 ZINC000824584787 594042786 /nfs/dbraw/zinc/04/27/86/594042786.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 1 3 344.463 1.754 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[NH2+]C(C)(C)C ZINC000826678622 594553116 /nfs/dbraw/zinc/55/31/16/594553116.db2.gz CURSNWMMQNXPBX-OAHLLOKOSA-N 1 3 325.497 1.866 20 0 EDADHO CCO[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)CN(C)C ZINC000831724988 594696427 /nfs/dbraw/zinc/69/64/27/594696427.db2.gz UBZAWRNCISGKMA-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=S)NCC(C)(C)C[NH+](C)C)C2)C1 ZINC000840754690 594815141 /nfs/dbraw/zinc/81/51/41/594815141.db2.gz OCATWUBQSSDCGR-QGZVFWFLSA-N 1 3 326.554 1.866 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000841287586 594881800 /nfs/dbraw/zinc/88/18/00/594881800.db2.gz FDDNZZOFBNZRJS-GOEBONIOSA-N 1 3 334.420 1.009 20 0 EDADHO C[C@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)C1 ZINC000841896843 594976365 /nfs/dbraw/zinc/97/63/65/594976365.db2.gz RUYJBFRHFHVHGV-PKOBYXMFSA-N 1 3 330.476 1.950 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000843495786 595130667 /nfs/dbraw/zinc/13/06/67/595130667.db2.gz VPOUNJKUECTJTD-WMZOPIPTSA-N 1 3 335.423 1.650 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000844172435 595290955 /nfs/dbraw/zinc/29/09/55/595290955.db2.gz XWEUUPMIIAIQGP-SOLBZPMBSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000844189917 595297402 /nfs/dbraw/zinc/29/74/02/595297402.db2.gz VFNNETVBXUDHQJ-KBAYOESNSA-N 1 3 331.460 1.534 20 0 EDADHO C[N@H+](CCCN1CCCC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846892363 595333336 /nfs/dbraw/zinc/33/33/36/595333336.db2.gz UUIOHNLJJJDERS-SFHVURJKSA-N 1 3 341.496 1.776 20 0 EDADHO C[N@@H+](CCCN1CCCC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846892363 595333338 /nfs/dbraw/zinc/33/33/38/595333338.db2.gz UUIOHNLJJJDERS-SFHVURJKSA-N 1 3 341.496 1.776 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc2c(c1)OCCO2 ZINC000849088631 595480034 /nfs/dbraw/zinc/48/00/34/595480034.db2.gz QNACHLBKXQFBDW-MRXNPFEDSA-N 1 3 346.475 1.989 20 0 EDADHO CC(C)NC(=[NH2+])NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000849101967 595482136 /nfs/dbraw/zinc/48/21/36/595482136.db2.gz FXPAYGPDZHZZHM-MRXNPFEDSA-N 1 3 331.464 1.406 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486334 595547582 /nfs/dbraw/zinc/54/75/82/595547582.db2.gz GMVNWYXRAILDIK-ROUUACIJSA-N 1 3 347.507 1.444 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551611 /nfs/dbraw/zinc/55/16/11/595551611.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 1 3 345.491 1.198 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551616 /nfs/dbraw/zinc/55/16/16/595551616.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 1 3 345.491 1.198 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555898 595566268 /nfs/dbraw/zinc/56/62/68/595566268.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 1 3 345.491 1.151 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555898 595566271 /nfs/dbraw/zinc/56/62/71/595566271.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 1 3 345.491 1.151 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849585340 595582784 /nfs/dbraw/zinc/58/27/84/595582784.db2.gz LBWABUTWWLYMRY-ZWKOTPCHSA-N 1 3 347.507 1.400 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888223 595600464 /nfs/dbraw/zinc/60/04/64/595600464.db2.gz VNVQCWDYFHHLQE-NUEKZKHPSA-N 1 3 330.432 1.117 20 0 EDADHO C[C@H](NC(=O)C1=NO[C@@H](CN)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852888223 595600466 /nfs/dbraw/zinc/60/04/66/595600466.db2.gz VNVQCWDYFHHLQE-NUEKZKHPSA-N 1 3 330.432 1.117 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908447 595610200 /nfs/dbraw/zinc/61/02/00/595610200.db2.gz XQNYRKZZWZOJSB-OALUTQOASA-N 1 3 345.487 1.530 20 0 EDADHO C[N@H+](C[C@H](O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123230 595672873 /nfs/dbraw/zinc/67/28/73/595672873.db2.gz NQZZPKOGFYJSRO-NSWWBONSSA-N 1 3 339.480 1.431 20 0 EDADHO C[N@@H+](C[C@H](O)CNCC12CC(C1)CN2C(=O)OC(C)(C)C)C1CC1 ZINC000853123230 595672876 /nfs/dbraw/zinc/67/28/76/595672876.db2.gz NQZZPKOGFYJSRO-NSWWBONSSA-N 1 3 339.480 1.431 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000858192588 595726218 /nfs/dbraw/zinc/72/62/18/595726218.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000858192588 595726220 /nfs/dbraw/zinc/72/62/20/595726220.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 1 3 336.480 1.166 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952147 /nfs/dbraw/zinc/95/21/47/595952147.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 1 3 343.471 1.308 20 0 EDADHO NC(=O)[C@](O)(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952148 /nfs/dbraw/zinc/95/21/48/595952148.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 1 3 343.471 1.308 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H]2CCC3(CNC3)O2)C1 ZINC000852750978 596237973 /nfs/dbraw/zinc/23/79/73/596237973.db2.gz LPCAQPJQHRKMJA-SOUVJXGZSA-N 1 3 325.453 1.354 20 0 EDADHO CCc1cccc(OCCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706329 596301954 /nfs/dbraw/zinc/30/19/54/596301954.db2.gz BBMPZPRWSHWHGE-NXHRZFHOSA-N 1 3 345.443 1.495 20 0 EDADHO COc1ccc(CCN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866707982 596303170 /nfs/dbraw/zinc/30/31/70/596303170.db2.gz LMIHIKPVJVVZMI-UAGQMJEPSA-N 1 3 331.416 1.105 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000870955700 596417106 /nfs/dbraw/zinc/41/71/06/596417106.db2.gz XHWFGXWBUMDAQX-HDICACEKSA-N 1 3 330.476 1.927 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982211 596429174 /nfs/dbraw/zinc/42/91/74/596429174.db2.gz YLBSGQKHCOLJBO-QZTJIDSGSA-N 1 3 336.524 1.523 20 0 EDADHO Cc1cc(F)ncc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000865063161 596460989 /nfs/dbraw/zinc/46/09/89/596460989.db2.gz AOYHLCGFPNMXRC-UHFFFAOYSA-N 1 3 334.439 1.818 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090029 596470696 /nfs/dbraw/zinc/47/06/96/596470696.db2.gz VSUGOBKOSQRAML-FUHWJXTLSA-N 1 3 349.523 1.702 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090029 596470698 /nfs/dbraw/zinc/47/06/98/596470698.db2.gz VSUGOBKOSQRAML-FUHWJXTLSA-N 1 3 349.523 1.702 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000863492237 596597626 /nfs/dbraw/zinc/59/76/26/596597626.db2.gz PDULXFROJDAGPE-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746867 596668599 /nfs/dbraw/zinc/66/85/99/596668599.db2.gz QJHJWOQZTZSKFB-KKUMJFAQSA-N 1 3 341.496 1.819 20 0 EDADHO C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746867 596668601 /nfs/dbraw/zinc/66/86/01/596668601.db2.gz QJHJWOQZTZSKFB-KKUMJFAQSA-N 1 3 341.496 1.819 20 0 EDADHO COc1ccccc1C(=O)C(=O)N1C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C1 ZINC000870019490 596710848 /nfs/dbraw/zinc/71/08/48/596710848.db2.gz GRPRVJCMLYRSEX-HUUCEWRRSA-N 1 3 347.459 1.076 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821885 596715145 /nfs/dbraw/zinc/71/51/45/596715145.db2.gz ASBCDFQKKDJAOY-NVXWUHKLSA-N 1 3 345.553 1.888 20 0 EDADHO C[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)CN1CCN(C)CC1 ZINC000868185697 596715514 /nfs/dbraw/zinc/71/55/14/596715514.db2.gz YRYWQZOQQKHNCP-FHLIZLRMSA-N 1 3 345.491 1.506 20 0 EDADHO CN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)C1CCC([NH3+])CC1 ZINC000868191574 596717613 /nfs/dbraw/zinc/71/76/13/596717613.db2.gz USJVPALPZZNBOC-UHFFFAOYSA-N 1 3 334.468 1.883 20 0 EDADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144131 596809175 /nfs/dbraw/zinc/80/91/75/596809175.db2.gz VJTHUAVBARTEMG-ULQDDVLXSA-N 1 3 335.492 1.526 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3CC4(CCC4)CO3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000872145830 596810513 /nfs/dbraw/zinc/81/05/13/596810513.db2.gz WQOSHELOHKJCEZ-BBWFWOEESA-N 1 3 348.491 1.166 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876031466 597068924 /nfs/dbraw/zinc/06/89/24/597068924.db2.gz XSZLNHQVKHBIRS-UHFFFAOYSA-N 1 3 342.528 1.717 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@H](C)C1 ZINC000873218431 597231247 /nfs/dbraw/zinc/23/12/47/597231247.db2.gz GPQMBFADXJLTDY-KDOFPFPSSA-N 1 3 328.464 1.546 20 0 EDADHO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873229179 597235175 /nfs/dbraw/zinc/23/51/75/597235175.db2.gz OMDFFHDCHJVNTL-HNNXBMFYSA-N 1 3 344.459 1.200 20 0 EDADHO CC(=O)Nc1ccc2c(c1)C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873229179 597235178 /nfs/dbraw/zinc/23/51/78/597235178.db2.gz OMDFFHDCHJVNTL-HNNXBMFYSA-N 1 3 344.459 1.200 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000875002006 597239973 /nfs/dbraw/zinc/23/99/73/597239973.db2.gz NAWICBMBMBBOPV-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000875002006 597239975 /nfs/dbraw/zinc/23/99/75/597239975.db2.gz NAWICBMBMBBOPV-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO FC(F)(F)C(F)(F)OCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873282200 597248197 /nfs/dbraw/zinc/24/81/97/597248197.db2.gz GIVXFXCOCTWPCT-GMTAPVOTSA-N 1 3 332.313 1.905 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876728940 597309545 /nfs/dbraw/zinc/30/95/45/597309545.db2.gz ZYUYLBIMNKJZAM-KBPBESRZSA-N 1 3 329.485 1.412 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000876736538 597314181 /nfs/dbraw/zinc/31/41/81/597314181.db2.gz KNMDAGACKPBPEA-UHFFFAOYSA-N 1 3 333.480 1.653 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876746322 597318794 /nfs/dbraw/zinc/31/87/94/597318794.db2.gz QZVBZASAYGMMDH-AEFFLSMTSA-N 1 3 349.450 1.777 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)c2ccccc2O1 ZINC000876778399 597337377 /nfs/dbraw/zinc/33/73/77/597337377.db2.gz DHZVSUJXBCHINV-XAUUPUKJSA-N 1 3 329.444 1.874 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000877132792 597439627 /nfs/dbraw/zinc/43/96/27/597439627.db2.gz NKGLOLHFCGRHLW-LJQANCHMSA-N 1 3 345.487 1.690 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1(C)C ZINC000877342418 597496506 /nfs/dbraw/zinc/49/65/06/597496506.db2.gz BLSRRZYCUHLZHV-FCEWJHQRSA-N 1 3 331.460 1.350 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CCNC3)C[C@@H]1C(F)(F)F ZINC000877354873 597499396 /nfs/dbraw/zinc/49/93/96/597499396.db2.gz DYVKKDYEESWHLE-UWVGGRQHSA-N 1 3 333.379 1.603 20 0 EDADHO COc1ccc(OCC[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877746608 597552678 /nfs/dbraw/zinc/55/26/78/597552678.db2.gz SZQUKTNNMPIORS-UHFFFAOYSA-N 1 3 333.476 1.786 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCCC1 ZINC000878311269 597594518 /nfs/dbraw/zinc/59/45/18/597594518.db2.gz GMIGJNPGMJGONX-QGZVFWFLSA-N 1 3 327.513 1.000 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CC1(O)CCCC1 ZINC000878311269 597594519 /nfs/dbraw/zinc/59/45/19/597594519.db2.gz GMIGJNPGMJGONX-QGZVFWFLSA-N 1 3 327.513 1.000 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@@H](O)CC3(O)CCCCC3)CC2)CC1 ZINC000879594668 597649956 /nfs/dbraw/zinc/64/99/56/597649956.db2.gz QCPBJHRNZVUXBC-SFHVURJKSA-N 1 3 339.524 1.144 20 0 EDADHO CO[C@H]1C[C@H](CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000883248378 597693434 /nfs/dbraw/zinc/69/34/34/597693434.db2.gz QUYSGDOQTGPPTB-CZIWCDLHSA-N 1 3 338.496 1.269 20 0 EDADHO COC(=O)C1=C(C)O[C@@H](CN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746336 597698039 /nfs/dbraw/zinc/69/80/39/597698039.db2.gz ATDGSOIOMPRIOY-MRXNPFEDSA-N 1 3 331.416 1.830 20 0 EDADHO O=C(CC[N@@H+]1CCNCCC12CCC2)Nc1ccc2c(c1)OCO2 ZINC000883457357 597755483 /nfs/dbraw/zinc/75/54/83/597755483.db2.gz BSUABDNYKAAHOT-UHFFFAOYSA-N 1 3 331.416 1.962 20 0 EDADHO O=C(CC[N@H+]1CCNCCC12CCC2)Nc1ccc2c(c1)OCO2 ZINC000883457357 597755485 /nfs/dbraw/zinc/75/54/85/597755485.db2.gz BSUABDNYKAAHOT-UHFFFAOYSA-N 1 3 331.416 1.962 20 0 EDADHO COCCN(CCc1nnn(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879127286 597827573 /nfs/dbraw/zinc/82/75/73/597827573.db2.gz UTOHNEGQIZBBLY-UHFFFAOYSA-N 1 3 338.500 1.261 20 0 EDADHO CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248085 597864181 /nfs/dbraw/zinc/86/41/81/597864181.db2.gz IAXPSQAXPLRQFU-HNNXBMFYSA-N 1 3 338.496 1.665 20 0 EDADHO COCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000884268375 598048692 /nfs/dbraw/zinc/04/86/92/598048692.db2.gz DSCZPLYFAGMFDH-SQNIBIBYSA-N 1 3 333.476 1.549 20 0 EDADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992850170 695407105 /nfs/dbraw/zinc/40/71/05/695407105.db2.gz BMMQANWFCOKFJZ-ULQDDVLXSA-N 1 3 325.472 1.905 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)c1 ZINC000992925650 695457203 /nfs/dbraw/zinc/45/72/03/695457203.db2.gz LACAYHWDDGDUIX-OTWHNJEPSA-N 1 3 345.487 1.571 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980937 696480395 /nfs/dbraw/zinc/48/03/95/696480395.db2.gz CIYIODISBHEGGF-MAUKXSAKSA-N 1 3 333.476 1.977 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1ccnn1C ZINC000994252537 696648890 /nfs/dbraw/zinc/64/88/90/696648890.db2.gz MEPCHNYLNRGATK-NVXWUHKLSA-N 1 3 345.491 1.028 20 0 EDADHO CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000940008673 700110738 /nfs/dbraw/zinc/11/07/38/700110738.db2.gz XOOVANXDWJFVQP-INIZCTEOSA-N 1 3 333.480 1.468 20 0 EDADHO O=C(N1CCN(C2CN(CC3CCC3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000941474990 701551221 /nfs/dbraw/zinc/55/12/21/701551221.db2.gz JDAULVFTXJGMSO-UHFFFAOYSA-N 1 3 346.519 1.243 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001032119267 699002061 /nfs/dbraw/zinc/00/20/61/699002061.db2.gz KQSCEAWFHYZHRO-NVXWUHKLSA-N 1 3 325.497 1.724 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001032119267 699002065 /nfs/dbraw/zinc/00/20/65/699002065.db2.gz KQSCEAWFHYZHRO-NVXWUHKLSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1 ZINC000939213488 699363229 /nfs/dbraw/zinc/36/32/29/699363229.db2.gz DPULPXUQAXUZIQ-SJCJKPOMSA-N 1 3 348.397 1.910 20 0 EDADHO Cc1cnc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995164847 701604417 /nfs/dbraw/zinc/60/44/17/701604417.db2.gz BPXMXRWBJFBPIA-HOTGVXAUSA-N 1 3 343.475 1.255 20 0 EDADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cnn(C)c1 ZINC000939809772 699958139 /nfs/dbraw/zinc/95/81/39/699958139.db2.gz JLGSFDVZHARVNR-DOTOQJQBSA-N 1 3 333.480 1.233 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)N(C)C ZINC000940164550 700299082 /nfs/dbraw/zinc/29/90/82/700299082.db2.gz PTLZACAFIDITKC-INIZCTEOSA-N 1 3 335.496 1.477 20 0 EDADHO CCn1ccc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995166678 701629661 /nfs/dbraw/zinc/62/96/61/701629661.db2.gz GVNRJOYOSBQVRI-HOTGVXAUSA-N 1 3 345.491 1.373 20 0 EDADHO CC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000940219667 700381609 /nfs/dbraw/zinc/38/16/09/700381609.db2.gz UFMNTZGFEDOKQY-WUJZJPHMSA-N 1 3 333.476 1.230 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327624 700504599 /nfs/dbraw/zinc/50/45/99/700504599.db2.gz LHCVLMKGQWQWNU-RHSMWYFYSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1cnc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327624 700504601 /nfs/dbraw/zinc/50/46/01/700504601.db2.gz LHCVLMKGQWQWNU-RHSMWYFYSA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328548 700506999 /nfs/dbraw/zinc/50/69/99/700506999.db2.gz KIZMUMZTAOMAOI-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940328548 700507002 /nfs/dbraw/zinc/50/70/02/700507002.db2.gz KIZMUMZTAOMAOI-OAHLLOKOSA-N 1 3 333.480 1.375 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940329885 700509697 /nfs/dbraw/zinc/50/96/97/700509697.db2.gz ZFEKCGQIMNAKEU-ZDUSSCGKSA-N 1 3 337.493 1.351 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940329885 700509699 /nfs/dbraw/zinc/50/96/99/700509699.db2.gz ZFEKCGQIMNAKEU-ZDUSSCGKSA-N 1 3 337.493 1.351 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977089 /nfs/dbraw/zinc/97/70/89/700977089.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 1 3 335.492 1.475 20 0 EDADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977090 /nfs/dbraw/zinc/97/70/90/700977090.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 1 3 335.492 1.475 20 0 EDADHO CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000940917971 700995409 /nfs/dbraw/zinc/99/54/09/700995409.db2.gz HDTHJMTZJVBSPF-IAGOWNOFSA-N 1 3 337.508 1.460 20 0 EDADHO CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000940917971 700995411 /nfs/dbraw/zinc/99/54/11/700995411.db2.gz HDTHJMTZJVBSPF-IAGOWNOFSA-N 1 3 337.508 1.460 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941157457 701221185 /nfs/dbraw/zinc/22/11/85/701221185.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 1 3 339.524 1.850 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941157457 701221187 /nfs/dbraw/zinc/22/11/87/701221187.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 1 3 339.524 1.850 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408876 701521282 /nfs/dbraw/zinc/52/12/82/701521282.db2.gz WRGAKGYVQLRRBI-ZWKOTPCHSA-N 1 3 348.535 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408876 701521284 /nfs/dbraw/zinc/52/12/84/701521284.db2.gz WRGAKGYVQLRRBI-ZWKOTPCHSA-N 1 3 348.535 1.489 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1)C1CC1 ZINC000995899442 702204733 /nfs/dbraw/zinc/20/47/33/702204733.db2.gz WGBRZQZVBQCFPE-HZPDHXFCSA-N 1 3 333.480 1.087 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000996195792 702622300 /nfs/dbraw/zinc/62/23/00/702622300.db2.gz KRELKHNDPYQHFP-XIRDDKMYSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000996195792 702622301 /nfs/dbraw/zinc/62/23/01/702622301.db2.gz KRELKHNDPYQHFP-XIRDDKMYSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299891 702691287 /nfs/dbraw/zinc/69/12/87/702691287.db2.gz GHJSHWMRUZUNEY-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ccn(CC)n3)CC2)CC[N@@H+]1C ZINC000996602779 702904335 /nfs/dbraw/zinc/90/43/35/702904335.db2.gz GIWYQQJXGVAVES-ZWKOTPCHSA-N 1 3 347.507 1.714 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3ccn(CC)n3)CC2)CC[N@H+]1C ZINC000996602779 702904337 /nfs/dbraw/zinc/90/43/37/702904337.db2.gz GIWYQQJXGVAVES-ZWKOTPCHSA-N 1 3 347.507 1.714 20 0 EDADHO COc1nccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)n1 ZINC000996667181 702964287 /nfs/dbraw/zinc/96/42/87/702964287.db2.gz YEAUIKBPUOUEQA-UHFFFAOYSA-N 1 3 347.463 1.050 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996665012 702967075 /nfs/dbraw/zinc/96/70/75/702967075.db2.gz NVDLCDFTLXVMEB-UHFFFAOYSA-N 1 3 333.480 1.293 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1)C1CCC1 ZINC000996673564 702968866 /nfs/dbraw/zinc/96/88/66/702968866.db2.gz VMHOWMDUPBHDSR-QGZVFWFLSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)CCC1 ZINC000996669240 702970764 /nfs/dbraw/zinc/97/07/64/702970764.db2.gz GIGASOIIDCKTPI-UHFFFAOYSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC000996955578 703224635 /nfs/dbraw/zinc/22/46/35/703224635.db2.gz PUEHBJJLAXROIS-UHFFFAOYSA-N 1 3 336.505 1.874 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(N[C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996963627 703232351 /nfs/dbraw/zinc/23/23/51/703232351.db2.gz GEHVDUDLFFDHDI-DZGCQCFKSA-N 1 3 336.484 1.043 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996993804 703250319 /nfs/dbraw/zinc/25/03/19/703250319.db2.gz FPWYHZATDJVXSH-OAHLLOKOSA-N 1 3 333.480 1.468 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996993804 703250320 /nfs/dbraw/zinc/25/03/20/703250320.db2.gz FPWYHZATDJVXSH-OAHLLOKOSA-N 1 3 333.480 1.468 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997006200 703263592 /nfs/dbraw/zinc/26/35/92/703263592.db2.gz FLJAKSHUYFKRGB-BBRMVZONSA-N 1 3 348.491 1.824 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997006200 703263593 /nfs/dbraw/zinc/26/35/93/703263593.db2.gz FLJAKSHUYFKRGB-BBRMVZONSA-N 1 3 348.491 1.824 20 0 EDADHO CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)o1 ZINC000997014607 703273837 /nfs/dbraw/zinc/27/38/37/703273837.db2.gz IMSPSPBWGRXGCO-HNNXBMFYSA-N 1 3 336.480 1.966 20 0 EDADHO C[C@H](NC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000997058957 703304387 /nfs/dbraw/zinc/30/43/87/703304387.db2.gz STQSQWDJYPDOHN-HNNXBMFYSA-N 1 3 345.491 1.850 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c(C)s1 ZINC000997192629 703489799 /nfs/dbraw/zinc/48/97/99/703489799.db2.gz KVJPXVDEYFUPEG-UHFFFAOYSA-N 1 3 348.516 1.936 20 0 EDADHO CCN(CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001060821968 703537076 /nfs/dbraw/zinc/53/70/76/703537076.db2.gz NWTKPUPBUWTBSP-WKILWMFISA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922533044 703933911 /nfs/dbraw/zinc/93/39/11/703933911.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922533044 703933913 /nfs/dbraw/zinc/93/39/13/703933913.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033071234 704092194 /nfs/dbraw/zinc/09/21/94/704092194.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033071234 704092196 /nfs/dbraw/zinc/09/21/96/704092196.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 1 3 337.508 1.819 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000997784282 704687816 /nfs/dbraw/zinc/68/78/16/704687816.db2.gz OFCMQEFSWQTPPZ-GOSISDBHSA-N 1 3 345.491 1.090 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000997793297 704700701 /nfs/dbraw/zinc/70/07/01/704700701.db2.gz PFUPNBCTCAFRII-BFYDXBDKSA-N 1 3 345.491 1.706 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000997793297 704700702 /nfs/dbraw/zinc/70/07/02/704700702.db2.gz PFUPNBCTCAFRII-BFYDXBDKSA-N 1 3 345.491 1.706 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)CCC1 ZINC000997824371 704743850 /nfs/dbraw/zinc/74/38/50/704743850.db2.gz RQDQCDPWCQHSDU-UHFFFAOYSA-N 1 3 337.493 1.351 20 0 EDADHO Cn1ccc(CNCC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830647 704747803 /nfs/dbraw/zinc/74/78/03/704747803.db2.gz KZXFJXYKFNAHAQ-QGZVFWFLSA-N 1 3 333.480 1.089 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831451 704749504 /nfs/dbraw/zinc/74/95/04/704749504.db2.gz SHYVLOPBMXVSBJ-FXAWDEMLSA-N 1 3 349.519 1.726 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC000997854619 704766682 /nfs/dbraw/zinc/76/66/82/704766682.db2.gz HBLFAKCVMKKSFL-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932340 705041449 /nfs/dbraw/zinc/04/14/49/705041449.db2.gz VKZIRJWBQPLMSR-HFCFLWKCSA-N 1 3 333.476 1.088 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998029977 705213655 /nfs/dbraw/zinc/21/36/55/705213655.db2.gz CYKRWXBQQQCETJ-UHFFFAOYSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076595 705296439 /nfs/dbraw/zinc/29/64/39/705296439.db2.gz AKVFCQRRAQQWFG-YOEHRIQHSA-N 1 3 345.491 1.311 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076595 705296442 /nfs/dbraw/zinc/29/64/42/705296442.db2.gz AKVFCQRRAQQWFG-YOEHRIQHSA-N 1 3 345.491 1.311 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081611 705302365 /nfs/dbraw/zinc/30/23/65/705302365.db2.gz KQTBJISKEFPXNZ-AEFFLSMTSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000998082586 705310063 /nfs/dbraw/zinc/31/00/63/705310063.db2.gz RFNHUACOLZUWQY-HNNXBMFYSA-N 1 3 333.480 1.090 20 0 EDADHO CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000925343293 705719019 /nfs/dbraw/zinc/71/90/19/705719019.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 1 3 338.496 1.362 20 0 EDADHO CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CCN(C)[C@@H]2C)C1 ZINC000925343293 705719022 /nfs/dbraw/zinc/71/90/22/705719022.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 1 3 338.496 1.362 20 0 EDADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC(NCc2cncc(F)c2)C1 ZINC000998780310 706221560 /nfs/dbraw/zinc/22/15/60/706221560.db2.gz NIYJHUMIRFGKKQ-ABHNRTSZSA-N 1 3 346.450 1.642 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC000998994883 706412206 /nfs/dbraw/zinc/41/22/06/706412206.db2.gz LZFGIRDRIPWEJR-VMBOVVBDSA-N 1 3 334.464 1.855 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999355260 706844813 /nfs/dbraw/zinc/84/48/13/706844813.db2.gz TZHLYWJCGVPNNM-ROUUACIJSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999355260 706844815 /nfs/dbraw/zinc/84/48/15/706844815.db2.gz TZHLYWJCGVPNNM-ROUUACIJSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)n[nH]1 ZINC000999356151 706846212 /nfs/dbraw/zinc/84/62/12/706846212.db2.gz YOUSPCRTGGIMIS-HOTGVXAUSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nc(CN[C@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)n[nH]1 ZINC000999356151 706846214 /nfs/dbraw/zinc/84/62/14/706846214.db2.gz YOUSPCRTGGIMIS-HOTGVXAUSA-N 1 3 348.495 1.457 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405770 706914935 /nfs/dbraw/zinc/91/49/35/706914935.db2.gz HWNLFASEAZCENH-WLYUNCDWSA-N 1 3 336.505 1.749 20 0 EDADHO O=C(N1CCC[C@H](NCc2cncc(F)c2)C1)C12CCC[NH+]1CCC2 ZINC000999601294 707103323 /nfs/dbraw/zinc/10/33/23/707103323.db2.gz HFCSYYJIJPKPMJ-KRWDZBQOSA-N 1 3 346.450 1.930 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999687768 707241756 /nfs/dbraw/zinc/24/17/56/707241756.db2.gz JNOXXUACWCTIET-ODIFPOPNSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC000999687768 707241760 /nfs/dbraw/zinc/24/17/60/707241760.db2.gz JNOXXUACWCTIET-ODIFPOPNSA-N 1 3 331.464 1.206 20 0 EDADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297449 707413403 /nfs/dbraw/zinc/41/34/03/707413403.db2.gz MWXVLZOLCCGYON-NVXWUHKLSA-N 1 3 333.476 1.318 20 0 EDADHO CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832306 707463280 /nfs/dbraw/zinc/46/32/80/707463280.db2.gz CYEQCWZVNBZVDP-UHFFFAOYSA-N 1 3 334.464 1.720 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876836 707525345 /nfs/dbraw/zinc/52/53/45/707525345.db2.gz ULRCNRJBCNKZIG-ABHNRTSZSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004879954 707553705 /nfs/dbraw/zinc/55/37/05/707553705.db2.gz TWWYXHKXIKRNRT-YJBOKZPZSA-N 1 3 347.507 1.764 20 0 EDADHO CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CCCO)C1 ZINC001033420018 707830105 /nfs/dbraw/zinc/83/01/05/707830105.db2.gz FJQFTOQCBNUYGR-SFHVURJKSA-N 1 3 333.476 1.319 20 0 EDADHO COC(=O)[C@@H](C)Oc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000921768815 708007588 /nfs/dbraw/zinc/00/75/88/708007588.db2.gz CBSHOJKHHJINEX-CQSZACIVSA-N 1 3 336.432 1.173 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686712 708501768 /nfs/dbraw/zinc/50/17/68/708501768.db2.gz SDCHSJKFYHDTIT-RDJZCZTQSA-N 1 3 333.476 1.929 20 0 EDADHO CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686712 708501770 /nfs/dbraw/zinc/50/17/70/708501770.db2.gz SDCHSJKFYHDTIT-RDJZCZTQSA-N 1 3 333.476 1.929 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042529 709292548 /nfs/dbraw/zinc/29/25/48/709292548.db2.gz PNXZLJWCVLDLEG-JKSUJKDBSA-N 1 3 349.479 1.185 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCCc2nc(C)no2)C1 ZINC001034042529 709292550 /nfs/dbraw/zinc/29/25/50/709292550.db2.gz PNXZLJWCVLDLEG-JKSUJKDBSA-N 1 3 349.479 1.185 20 0 EDADHO CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCN(CCOC)C1 ZINC001034044877 709297054 /nfs/dbraw/zinc/29/70/54/709297054.db2.gz FLPIYEWKIHBYRR-SFHVURJKSA-N 1 3 333.476 1.931 20 0 EDADHO Cc1cc(NC[C@@H]2CN(C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213666 709394458 /nfs/dbraw/zinc/39/44/58/709394458.db2.gz FFUWXJARPCYWHO-MRXNPFEDSA-N 1 3 326.448 1.595 20 0 EDADHO CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC001002874467 709481053 /nfs/dbraw/zinc/48/10/53/709481053.db2.gz IKBOKQYADRSSNU-ZWKOTPCHSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000702811764 709857419 /nfs/dbraw/zinc/85/74/19/709857419.db2.gz HGPZJOJDXGUSIA-WCVJEAGWSA-N 1 3 339.480 1.431 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000702811764 709857423 /nfs/dbraw/zinc/85/74/23/709857423.db2.gz HGPZJOJDXGUSIA-WCVJEAGWSA-N 1 3 339.480 1.431 20 0 EDADHO COCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538902 710212187 /nfs/dbraw/zinc/21/21/87/710212187.db2.gz VUEQNTVIMAPROF-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO COCC[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538902 710212190 /nfs/dbraw/zinc/21/21/90/710212190.db2.gz VUEQNTVIMAPROF-SFHVURJKSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628502 710458601 /nfs/dbraw/zinc/45/86/01/710458601.db2.gz RBDGSIAXVPEWAS-SUMWQHHRSA-N 1 3 329.460 1.160 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628677 710458654 /nfs/dbraw/zinc/45/86/54/710458654.db2.gz SRXWFPUAFQSQFW-KSSFIOAISA-N 1 3 343.487 1.814 20 0 EDADHO CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001003737129 710518653 /nfs/dbraw/zinc/51/86/53/710518653.db2.gz GMYNDMHRWCROBQ-RDJZCZTQSA-N 1 3 325.497 1.865 20 0 EDADHO O=C(N[C@H]1CC[C@H](NCc2cnns2)CC1)C12CCC[NH+]1CCC2 ZINC001034682693 710686364 /nfs/dbraw/zinc/68/63/64/710686364.db2.gz SYQKOOICYXYPKN-HDJSIYSDSA-N 1 3 349.504 1.684 20 0 EDADHO C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001034749534 710956915 /nfs/dbraw/zinc/95/69/15/710956915.db2.gz LJFGBDFNZVARHZ-QAETUUGQSA-N 1 3 325.497 1.649 20 0 EDADHO COc1ncccc1CNC[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034958844 711432902 /nfs/dbraw/zinc/43/29/02/711432902.db2.gz MLEUGCYKTTYJEZ-SJORKVTESA-N 1 3 346.475 1.511 20 0 EDADHO CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946624009 711926960 /nfs/dbraw/zinc/92/69/60/711926960.db2.gz YLFGGOQKKSQNRC-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946624009 711926962 /nfs/dbraw/zinc/92/69/62/711926962.db2.gz YLFGGOQKKSQNRC-ZACQAIPSSA-N 1 3 337.508 1.676 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829326 282175601 /nfs/dbraw/zinc/17/56/01/282175601.db2.gz FSLQJKOFUWFDSM-QZTJIDSGSA-N 1 3 332.492 1.848 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCCC[C@@H]2C[C@H](C)O)CC1 ZINC000560498169 306271881 /nfs/dbraw/zinc/27/18/81/306271881.db2.gz OEXNTZZGFZXTMJ-FUHWJXTLSA-N 1 3 339.524 1.991 20 0 EDADHO COC1(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)CC[NH2+]CC1 ZINC000178877362 232563905 /nfs/dbraw/zinc/56/39/05/232563905.db2.gz QWMVFJCGSIBSGK-UHFFFAOYSA-N 1 3 346.475 1.536 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433343814 539558411 /nfs/dbraw/zinc/55/84/11/539558411.db2.gz PJCUJUHNYVVQFM-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333946227 539662047 /nfs/dbraw/zinc/66/20/47/539662047.db2.gz UKAGNBMGDSPSLP-CABCVRRESA-N 1 3 340.537 1.788 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000342972922 539767913 /nfs/dbraw/zinc/76/79/13/539767913.db2.gz ADAKSSNILLLRIA-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000343015021 539776390 /nfs/dbraw/zinc/77/63/90/539776390.db2.gz PHGYXVKYTHGLFQ-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000367910907 282703756 /nfs/dbraw/zinc/70/37/56/282703756.db2.gz LZHZHIFTJLQFHI-VNHYZAJKSA-N 1 3 335.414 1.854 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356156 539932935 /nfs/dbraw/zinc/93/29/35/539932935.db2.gz RJEZUPRTHSJYHO-ZDUSSCGKSA-N 1 3 348.413 1.970 20 0 EDADHO CCCN(C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412779254 304036902 /nfs/dbraw/zinc/03/69/02/304036902.db2.gz MEVJQWPHVCZJAY-UHFFFAOYSA-N 1 3 333.476 1.472 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000495155154 540052969 /nfs/dbraw/zinc/05/29/69/540052969.db2.gz YTKZUNZMMAYXMO-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CCc1nccn1[C@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000105922757 540191154 /nfs/dbraw/zinc/19/11/54/540191154.db2.gz XZQSOSDMNYDSCS-KRWDZBQOSA-N 1 3 347.507 1.683 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000563446100 306333772 /nfs/dbraw/zinc/33/37/72/306333772.db2.gz VDMGTHHAKFQKFU-UHFFFAOYSA-N 1 3 344.459 1.214 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539402 306338136 /nfs/dbraw/zinc/33/81/36/306338136.db2.gz QADKSVGXXDSBRN-QUCCMNQESA-N 1 3 348.510 1.968 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000377389474 295939071 /nfs/dbraw/zinc/93/90/71/295939071.db2.gz HDECVILDGSPMJR-IMJJTQAJSA-N 1 3 329.448 1.350 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133095822 138388309 /nfs/dbraw/zinc/38/83/09/138388309.db2.gz SSDMVFBRHRNLGX-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564318540 306358192 /nfs/dbraw/zinc/35/81/92/306358192.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564318540 306358193 /nfs/dbraw/zinc/35/81/93/306358193.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 1 3 330.476 1.846 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2CN)CC1 ZINC000564935643 306370245 /nfs/dbraw/zinc/37/02/45/306370245.db2.gz AVKOBLUZLSSBIF-GOSISDBHSA-N 1 3 330.476 1.986 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000565298962 306381109 /nfs/dbraw/zinc/38/11/09/306381109.db2.gz BZUZZJJKRWTCAK-KBAYOESNSA-N 1 3 336.476 1.688 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000565298962 306381110 /nfs/dbraw/zinc/38/11/10/306381110.db2.gz BZUZZJJKRWTCAK-KBAYOESNSA-N 1 3 336.476 1.688 20 0 EDADHO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H](N4CCCCC4)C3)cc2C1 ZINC000333312112 283601443 /nfs/dbraw/zinc/60/14/43/283601443.db2.gz LULRBVLBYSHGCK-NVXWUHKLSA-N 1 3 343.475 1.990 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000565460041 306384144 /nfs/dbraw/zinc/38/41/44/306384144.db2.gz JSQQMVSNXLCNIZ-UHFFFAOYSA-N 1 3 347.463 1.380 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000565751866 306390754 /nfs/dbraw/zinc/39/07/54/306390754.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 1 3 347.503 1.860 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000565751866 306390755 /nfs/dbraw/zinc/39/07/55/306390755.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 1 3 347.503 1.860 20 0 EDADHO Cc1c(-c2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cnn1C ZINC000566245691 306405977 /nfs/dbraw/zinc/40/59/77/306405977.db2.gz PUTZXKPMSGFULK-AEFFLSMTSA-N 1 3 345.447 1.712 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699104 304129467 /nfs/dbraw/zinc/12/94/67/304129467.db2.gz RRGDXXLPJPCXFM-GDBMZVCRSA-N 1 3 345.443 1.750 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699104 304129468 /nfs/dbraw/zinc/12/94/68/304129468.db2.gz RRGDXXLPJPCXFM-GDBMZVCRSA-N 1 3 345.443 1.750 20 0 EDADHO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703715 304130309 /nfs/dbraw/zinc/13/03/09/304130309.db2.gz MROMHLKLKKUAGS-RBUKOAKNSA-N 1 3 347.503 1.703 20 0 EDADHO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703715 304130311 /nfs/dbraw/zinc/13/03/11/304130311.db2.gz MROMHLKLKKUAGS-RBUKOAKNSA-N 1 3 347.503 1.703 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000414789351 304140695 /nfs/dbraw/zinc/14/06/95/304140695.db2.gz OEKFYZVNULQZMH-MSOLQXFVSA-N 1 3 327.432 1.596 20 0 EDADHO COCCOc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414795992 304141784 /nfs/dbraw/zinc/14/17/84/304141784.db2.gz WXWCPWGEJUAAMO-KRWDZBQOSA-N 1 3 334.460 1.899 20 0 EDADHO C[C@@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291734 296131718 /nfs/dbraw/zinc/13/17/18/296131718.db2.gz GYMQFFBPBFREPX-ILXRZTDVSA-N 1 3 329.485 1.677 20 0 EDADHO CC(C)c1ccc([C@@H](N)C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414841605 304146879 /nfs/dbraw/zinc/14/68/79/304146879.db2.gz YIVMBUGONLUPEV-QAPCUYQASA-N 1 3 332.492 1.597 20 0 EDADHO COCCOc1cc(C)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415090212 304158668 /nfs/dbraw/zinc/15/86/68/304158668.db2.gz XRAXWNOSIPMXPF-INIZCTEOSA-N 1 3 349.475 1.307 20 0 EDADHO CCOCCC1(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCC1 ZINC000415091982 304158790 /nfs/dbraw/zinc/15/87/90/304158790.db2.gz RORGGVOTRFBGOJ-INIZCTEOSA-N 1 3 325.497 1.760 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267764 306445098 /nfs/dbraw/zinc/44/50/98/306445098.db2.gz LKAQFRZULQBZSI-FRQCXROJSA-N 1 3 335.492 1.510 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1)[C@H]1CCCN(C)C1 ZINC000237127331 139041404 /nfs/dbraw/zinc/04/14/04/139041404.db2.gz NVAASJUELUMCBX-HNNXBMFYSA-N 1 3 332.448 1.529 20 0 EDADHO CN(CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137417 139041865 /nfs/dbraw/zinc/04/18/65/139041865.db2.gz GDIKHLURMSEYMO-RBUKOAKNSA-N 1 3 344.503 1.390 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415318080 304193317 /nfs/dbraw/zinc/19/33/17/304193317.db2.gz QFZUMUWPDWLPNV-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CC[NH2+]CCCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000568369624 306479810 /nfs/dbraw/zinc/47/98/10/306479810.db2.gz WTUCTRHVNGKLFL-UHFFFAOYSA-N 1 3 333.480 1.950 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000247337343 139145469 /nfs/dbraw/zinc/14/54/69/139145469.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000247337343 139145470 /nfs/dbraw/zinc/14/54/70/139145470.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO CCN1CCN(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000568628326 306485815 /nfs/dbraw/zinc/48/58/15/306485815.db2.gz QEVWVSCAKSEBAM-GOSISDBHSA-N 1 3 338.540 1.818 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000151898719 223881942 /nfs/dbraw/zinc/88/19/42/223881942.db2.gz JMSIZIJVPZZXDE-UHFFFAOYSA-N 1 3 345.553 1.904 20 0 EDADHO COc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645239 139214098 /nfs/dbraw/zinc/21/40/98/139214098.db2.gz IZOIHURTUKIRPM-AEFFLSMTSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CCN1Cc1ccccc1 ZINC000261658214 139215145 /nfs/dbraw/zinc/21/51/45/139215145.db2.gz FNLVHZUMQNFRLG-JQHSSLGASA-N 1 3 331.460 1.616 20 0 EDADHO N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCOCC1 ZINC000261675793 139216563 /nfs/dbraw/zinc/21/65/63/139216563.db2.gz GODZTERNOCQVML-GOSISDBHSA-N 1 3 331.460 1.653 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)C1CCOCC1)c1ccccc1 ZINC000261739243 139222038 /nfs/dbraw/zinc/22/20/38/139222038.db2.gz KJXHMDYMKSYPGU-YOEHRIQHSA-N 1 3 333.476 1.986 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000415503637 304225288 /nfs/dbraw/zinc/22/52/88/304225288.db2.gz OUKDXGADGANDPC-MRXNPFEDSA-N 1 3 334.464 1.519 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416150282 251054285 /nfs/dbraw/zinc/05/42/85/251054285.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 1 3 345.487 1.662 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416150282 251054289 /nfs/dbraw/zinc/05/42/89/251054289.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 1 3 345.487 1.662 20 0 EDADHO CN(CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873961 251114094 /nfs/dbraw/zinc/11/40/94/251114094.db2.gz OONUMXDTKPECKP-ROUUACIJSA-N 1 3 330.476 1.759 20 0 EDADHO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CCN1Cc1ccccc1 ZINC000262316380 139269386 /nfs/dbraw/zinc/26/93/86/139269386.db2.gz QXNCAVZPUHGZGC-QGZVFWFLSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]1 ZINC000417014342 251132741 /nfs/dbraw/zinc/13/27/41/251132741.db2.gz DDPGCTYGWVIHJU-QAPCUYQASA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417015266 251133388 /nfs/dbraw/zinc/13/33/88/251133388.db2.gz FHPQRHLWZCLGIA-SFHVURJKSA-N 1 3 346.475 1.113 20 0 EDADHO CC1CCN(CCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000417024243 251138866 /nfs/dbraw/zinc/13/88/66/251138866.db2.gz WYPHLHHAHPZQEM-MRXNPFEDSA-N 1 3 338.496 1.115 20 0 EDADHO [NH3+][C@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000417386305 251160814 /nfs/dbraw/zinc/16/08/14/251160814.db2.gz SRSYCDLLWRXJEE-MRXNPFEDSA-N 1 3 336.505 1.997 20 0 EDADHO [NH3+][C@@H](CNC(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 ZINC000417386291 251161277 /nfs/dbraw/zinc/16/12/77/251161277.db2.gz SRSYCDLLWRXJEE-INIZCTEOSA-N 1 3 336.505 1.997 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417497137 251180680 /nfs/dbraw/zinc/18/06/80/251180680.db2.gz AJXMCFDMUAIGLE-INIZCTEOSA-N 1 3 336.480 1.733 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000418193690 251352574 /nfs/dbraw/zinc/35/25/74/251352574.db2.gz CSRXVMJJQMOQKU-UHFFFAOYSA-N 1 3 342.553 1.845 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418708054 251390159 /nfs/dbraw/zinc/39/01/59/251390159.db2.gz UCBRCSFIWPRJTN-RYUDHWBXSA-N 1 3 328.407 1.774 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418709835 251392315 /nfs/dbraw/zinc/39/23/15/251392315.db2.gz VEFVPZIPYBZOHY-NEPJUHHUSA-N 1 3 328.407 1.774 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000262625268 139290958 /nfs/dbraw/zinc/29/09/58/139290958.db2.gz BENHFAYAWOWDDN-SJORKVTESA-N 1 3 331.460 1.387 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000262653188 139293358 /nfs/dbraw/zinc/29/33/58/139293358.db2.gz SKOWZBYBAQZIMT-SFHVURJKSA-N 1 3 331.460 1.402 20 0 EDADHO CCC[C@@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262699858 139297216 /nfs/dbraw/zinc/29/72/16/139297216.db2.gz HEAUTIOFPCLFRR-MRXNPFEDSA-N 1 3 348.491 1.403 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN[C@@H](C)[C@H]3C)CC2)c1 ZINC000262835613 139306899 /nfs/dbraw/zinc/30/68/99/139306899.db2.gz WFNXOWGZKVISJO-ZWKOTPCHSA-N 1 3 344.503 1.716 20 0 EDADHO N[C@H]1CCCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423150014 252038586 /nfs/dbraw/zinc/03/85/86/252038586.db2.gz YKLYNIHMXYSQIB-QWHCGFSZSA-N 1 3 328.254 1.860 20 0 EDADHO CN(C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1)[C@@H]1CCCN(C)C1 ZINC000424147755 252143905 /nfs/dbraw/zinc/14/39/05/252143905.db2.gz SDISUQKYHDZMEZ-OAGGEKHMSA-N 1 3 330.432 1.139 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127065 252132533 /nfs/dbraw/zinc/13/25/33/252132533.db2.gz AAADTGWLMZFOJV-WBVHZDCISA-N 1 3 342.447 1.235 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1CN1CCCCC1 ZINC000424129708 252134188 /nfs/dbraw/zinc/13/41/88/252134188.db2.gz GNPIIYSWCBCDRB-CVEARBPZSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917172 139312592 /nfs/dbraw/zinc/31/25/92/139312592.db2.gz ZBFSCCYRPSHSCN-ZFWWWQNUSA-N 1 3 332.448 1.450 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416150363 285020286 /nfs/dbraw/zinc/02/02/86/285020286.db2.gz JQIUARFRDRGKCX-MSOLQXFVSA-N 1 3 333.476 1.906 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246578832 285023169 /nfs/dbraw/zinc/02/31/69/285023169.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246578832 285023170 /nfs/dbraw/zinc/02/31/70/285023170.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415645638 304246207 /nfs/dbraw/zinc/24/62/07/304246207.db2.gz CDQOYEINRNUJSF-AWEZNQCLSA-N 1 3 346.475 1.853 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000415645638 304246209 /nfs/dbraw/zinc/24/62/09/304246209.db2.gz CDQOYEINRNUJSF-AWEZNQCLSA-N 1 3 346.475 1.853 20 0 EDADHO COCCN(C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000263804059 139361661 /nfs/dbraw/zinc/36/16/61/139361661.db2.gz WWSOQNKGWDGCGX-UHFFFAOYSA-N 1 3 340.468 1.239 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC000496362296 255386780 /nfs/dbraw/zinc/38/67/80/255386780.db2.gz QEYKUODNTFNBKT-VFSICIBPSA-N 1 3 341.496 1.771 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC000496362296 255386781 /nfs/dbraw/zinc/38/67/81/255386781.db2.gz QEYKUODNTFNBKT-VFSICIBPSA-N 1 3 341.496 1.771 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415800895 304274397 /nfs/dbraw/zinc/27/43/97/304274397.db2.gz DVXRSWGIGBNCAM-GDBMZVCRSA-N 1 3 346.475 1.629 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415888194 304284364 /nfs/dbraw/zinc/28/43/64/304284364.db2.gz ZFTQYWJFRGFTAX-GOSISDBHSA-N 1 3 346.475 1.547 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909454 304284764 /nfs/dbraw/zinc/28/47/64/304284764.db2.gz GDMHFLVRSHVMSZ-INIZCTEOSA-N 1 3 347.507 1.801 20 0 EDADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000271452513 140297802 /nfs/dbraw/zinc/29/78/02/140297802.db2.gz UZYMPZPTEWDXCK-WOJBJXKFSA-N 1 3 329.488 1.915 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@H]4CCOC4)CC3)C2)cc1 ZINC000271452513 140297803 /nfs/dbraw/zinc/29/78/03/140297803.db2.gz UZYMPZPTEWDXCK-WOJBJXKFSA-N 1 3 329.488 1.915 20 0 EDADHO C[C@@H](CCn1cccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000272325377 140436969 /nfs/dbraw/zinc/43/69/69/140436969.db2.gz JDYRHCRMDRSLCS-SFHVURJKSA-N 1 3 342.491 1.859 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333312110 141297248 /nfs/dbraw/zinc/29/72/48/141297248.db2.gz LUHOJKIHADYMKL-UAGQMJEPSA-N 1 3 343.475 1.988 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013494 /nfs/dbraw/zinc/01/34/94/142013494.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 1 3 328.501 1.230 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013495 /nfs/dbraw/zinc/01/34/95/142013495.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 1 3 328.501 1.230 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339612869 142093435 /nfs/dbraw/zinc/09/34/35/142093435.db2.gz GYGWQTAARQJKHX-INIZCTEOSA-N 1 3 340.512 1.164 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006630 /nfs/dbraw/zinc/00/66/30/143006630.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 1 3 345.487 1.591 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006631 /nfs/dbraw/zinc/00/66/31/143006631.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 1 3 345.487 1.591 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)N(C)C1 ZINC000345852269 143139726 /nfs/dbraw/zinc/13/97/26/143139726.db2.gz LFDKFVIYBPELEK-LSDHHAIUSA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)N(C)C1 ZINC000345869583 143141544 /nfs/dbraw/zinc/14/15/44/143141544.db2.gz WPIRZHVHRVNTTI-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347023859 143272931 /nfs/dbraw/zinc/27/29/31/143272931.db2.gz QFBMBKJRYXPXMA-CQSZACIVSA-N 1 3 345.422 1.503 20 0 EDADHO Cn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194326 143293421 /nfs/dbraw/zinc/29/34/21/143293421.db2.gz GRNNVSFFXUIQLW-MRXNPFEDSA-N 1 3 341.459 1.374 20 0 EDADHO Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348080319 143398512 /nfs/dbraw/zinc/39/85/12/143398512.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348080319 143398513 /nfs/dbraw/zinc/39/85/13/143398513.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 1 3 337.487 1.749 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)c1cnn(CCN2CCCCC2)c1 ZINC000369782521 155175395 /nfs/dbraw/zinc/17/53/95/155175395.db2.gz NPJVDCJBRICHQO-UHFFFAOYSA-N 1 3 347.507 1.975 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842861 304351098 /nfs/dbraw/zinc/35/10/98/304351098.db2.gz NRTVYDBHRGLNRL-RCCFBDPRSA-N 1 3 346.475 1.409 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416963750 304355963 /nfs/dbraw/zinc/35/59/63/304355963.db2.gz BRXVVJADHPJUMK-PBHICJAKSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973789 304358752 /nfs/dbraw/zinc/35/87/52/304358752.db2.gz VQTVEVVZNAKBKK-GOEBONIOSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111312 150121492 /nfs/dbraw/zinc/12/14/92/150121492.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 1 3 349.523 1.033 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000355333693 150221011 /nfs/dbraw/zinc/22/10/11/150221011.db2.gz CKBHLRMKVYUNOA-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CN(C)C[C@H](NC(=O)NCCOCC[NH+](C)C)c1ccc(F)cc1 ZINC000355346638 150226657 /nfs/dbraw/zinc/22/66/57/150226657.db2.gz LBYSYMIAABSOGM-INIZCTEOSA-N 1 3 340.443 1.306 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400705 150253865 /nfs/dbraw/zinc/25/38/65/150253865.db2.gz UBYXLGHBUANSHA-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417034573 304363622 /nfs/dbraw/zinc/36/36/22/304363622.db2.gz GCFJZVOCZFVHBT-IRXDYDNUSA-N 1 3 339.528 1.173 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357960707 151211868 /nfs/dbraw/zinc/21/18/68/151211868.db2.gz RGAKMISTEDBGPD-AWEZNQCLSA-N 1 3 330.542 1.843 20 0 EDADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417090729 304371591 /nfs/dbraw/zinc/37/15/91/304371591.db2.gz YFLUSKPAOQQRNA-GBESFXJTSA-N 1 3 342.487 1.902 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000360384345 152014801 /nfs/dbraw/zinc/01/48/01/152014801.db2.gz LWLPKROZTVRQDI-MRXNPFEDSA-N 1 3 328.526 1.599 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C4CC4)CCOCC3)CC2)CC1 ZINC000361159192 152322128 /nfs/dbraw/zinc/32/21/28/152322128.db2.gz JCEYHDUGLROWQF-UHFFFAOYSA-N 1 3 349.519 1.868 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363560893 153000797 /nfs/dbraw/zinc/00/07/97/153000797.db2.gz TWBYWXZHYMONBE-UHFFFAOYSA-N 1 3 335.496 1.831 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)c1cnn(CCN2CCCCC2)c1 ZINC000363560893 153000800 /nfs/dbraw/zinc/00/08/00/153000800.db2.gz TWBYWXZHYMONBE-UHFFFAOYSA-N 1 3 335.496 1.831 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1C[NH3+] ZINC000417199189 304383855 /nfs/dbraw/zinc/38/38/55/304383855.db2.gz SRVADBJHLRFGAA-NXHRZFHOSA-N 1 3 332.492 1.786 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000364945379 153379276 /nfs/dbraw/zinc/37/92/76/153379276.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 1 3 334.508 1.985 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000364945379 153379278 /nfs/dbraw/zinc/37/92/78/153379278.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 1 3 334.508 1.985 20 0 EDADHO COCCN1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417299188 304390479 /nfs/dbraw/zinc/39/04/79/304390479.db2.gz QZUJIBAIYXJXME-UHFFFAOYSA-N 1 3 334.464 1.268 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000368011311 154368447 /nfs/dbraw/zinc/36/84/47/154368447.db2.gz XKMNGRVMJYWDCB-UKRRQHHQSA-N 1 3 325.453 1.180 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000368011311 154368450 /nfs/dbraw/zinc/36/84/50/154368450.db2.gz XKMNGRVMJYWDCB-UKRRQHHQSA-N 1 3 325.453 1.180 20 0 EDADHO C[C@@H](C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)N1CCN(C)CC1 ZINC000372060004 156228914 /nfs/dbraw/zinc/22/89/14/156228914.db2.gz CHWVTPLERGSIMQ-XWSJACJDSA-N 1 3 338.540 1.101 20 0 EDADHO CC1(C)CN(C(=O)c2cnn(CCN3CCCCC3)c2)CC[C@H]1[NH3+] ZINC000374580530 157334524 /nfs/dbraw/zinc/33/45/24/157334524.db2.gz QYFCMIOUSGXAGG-MRXNPFEDSA-N 1 3 333.480 1.568 20 0 EDADHO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123577 158084858 /nfs/dbraw/zinc/08/48/58/158084858.db2.gz ZLVZADDVLKMCIW-FUHWJXTLSA-N 1 3 347.507 1.828 20 0 EDADHO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123577 158084860 /nfs/dbraw/zinc/08/48/60/158084860.db2.gz ZLVZADDVLKMCIW-FUHWJXTLSA-N 1 3 347.507 1.828 20 0 EDADHO CN(C)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000576164507 306679689 /nfs/dbraw/zinc/67/96/89/306679689.db2.gz FVHFOCSDZCBNBC-OAHLLOKOSA-N 1 3 332.448 1.097 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000352208718 162052066 /nfs/dbraw/zinc/05/20/66/162052066.db2.gz SFKDTKJNTABUIF-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000352252587 162074586 /nfs/dbraw/zinc/07/45/86/162074586.db2.gz FLCVBIGGVZEPJM-WMLDXEAASA-N 1 3 338.496 1.005 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811102 287265201 /nfs/dbraw/zinc/26/52/01/287265201.db2.gz WWGPRDPKTAFEPA-SJLPKXTDSA-N 1 3 342.528 1.764 20 0 EDADHO CCc1nc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000077824404 287290970 /nfs/dbraw/zinc/29/09/70/287290970.db2.gz ZYOXZEBRQQLHQK-UHFFFAOYSA-N 1 3 327.498 1.340 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000418372922 304487515 /nfs/dbraw/zinc/48/75/15/304487515.db2.gz UJDPFCYAFQKGHU-WBVHZDCISA-N 1 3 334.464 1.739 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000418418231 304494236 /nfs/dbraw/zinc/49/42/36/304494236.db2.gz WPUFLLZYQAKJLL-UHFFFAOYSA-N 1 3 328.407 1.775 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1)c1ccccc1 ZINC000274605071 268167394 /nfs/dbraw/zinc/16/73/94/268167394.db2.gz MJVBJNAUTLJRHM-HOJAQTOUSA-N 1 3 345.487 1.953 20 0 EDADHO CC[C@](C)(O)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000275421350 268340142 /nfs/dbraw/zinc/34/01/42/268340142.db2.gz FAKOBOYEYHNINK-IBGZPJMESA-N 1 3 335.492 1.910 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380351 /nfs/dbraw/zinc/38/03/51/273380351.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 1 3 332.444 1.364 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280636457 273380353 /nfs/dbraw/zinc/38/03/53/273380353.db2.gz ZEAXUTKXXGFDQJ-SCTDSRPQSA-N 1 3 332.444 1.364 20 0 EDADHO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751274 274049043 /nfs/dbraw/zinc/04/90/43/274049043.db2.gz ABVQKBMBPGLPJU-ROUUACIJSA-N 1 3 333.476 1.373 20 0 EDADHO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751274 274049047 /nfs/dbraw/zinc/04/90/47/274049047.db2.gz ABVQKBMBPGLPJU-ROUUACIJSA-N 1 3 333.476 1.373 20 0 EDADHO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000418422290 274083631 /nfs/dbraw/zinc/08/36/31/274083631.db2.gz DMNSTCCYRRZBLE-OKZBNKHCSA-N 1 3 346.475 1.581 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218606 /nfs/dbraw/zinc/21/86/06/276218606.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218608 /nfs/dbraw/zinc/21/86/08/276218608.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 1 3 349.519 1.963 20 0 EDADHO C[NH+](C)C1(CNC(=O)NCCN2CCCCC2)Cc2ccccc2C1 ZINC000361855731 276767468 /nfs/dbraw/zinc/76/74/68/276767468.db2.gz JJTKBEZFYRQGDR-UHFFFAOYSA-N 1 3 344.503 1.871 20 0 EDADHO CN(c1ccccc1CNC[C@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717915 277003106 /nfs/dbraw/zinc/00/31/06/277003106.db2.gz ZLJLHCBVBNDLOA-RTBURBONSA-N 1 3 347.503 1.847 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171777 /nfs/dbraw/zinc/17/17/77/277171777.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 1 3 343.515 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171778 /nfs/dbraw/zinc/17/17/78/277171778.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 1 3 343.515 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171779 /nfs/dbraw/zinc/17/17/79/277171779.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 1 3 343.515 1.868 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccnc1C ZINC000286504333 288021834 /nfs/dbraw/zinc/02/18/34/288021834.db2.gz RLUMBLXCEPGLAV-SFHVURJKSA-N 1 3 332.492 1.807 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccnc1C ZINC000286504333 288021836 /nfs/dbraw/zinc/02/18/36/288021836.db2.gz RLUMBLXCEPGLAV-SFHVURJKSA-N 1 3 332.492 1.807 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547858 288129163 /nfs/dbraw/zinc/12/91/63/288129163.db2.gz VOVRBHZETIOGGA-QGPMSJSTSA-N 1 3 334.508 1.842 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000414767056 279677703 /nfs/dbraw/zinc/67/77/03/279677703.db2.gz FNSGRYYTCVTWAP-SJORKVTESA-N 1 3 343.427 1.111 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000359658845 280322637 /nfs/dbraw/zinc/32/26/37/280322637.db2.gz RQZJSBOUAUOYSV-SZMVWBNQSA-N 1 3 337.508 1.865 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287665818 288289668 /nfs/dbraw/zinc/28/96/68/288289668.db2.gz VNDRSXLAKGFTQH-LSDHHAIUSA-N 1 3 327.428 1.889 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000287665818 288289670 /nfs/dbraw/zinc/28/96/70/288289670.db2.gz VNDRSXLAKGFTQH-LSDHHAIUSA-N 1 3 327.428 1.889 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000291221903 289021123 /nfs/dbraw/zinc/02/11/23/289021123.db2.gz OZKCGHLJRCFQNX-UHFFFAOYSA-N 1 3 336.480 1.237 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334107034 289036915 /nfs/dbraw/zinc/03/69/15/289036915.db2.gz YSPIRIQWSLWMGY-RHSMWYFYSA-N 1 3 338.496 1.100 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000158558552 289195911 /nfs/dbraw/zinc/19/59/11/289195911.db2.gz KRXNSRVRWRXMKX-WMZOPIPTSA-N 1 3 332.492 1.289 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291872541 289202464 /nfs/dbraw/zinc/20/24/64/289202464.db2.gz IMSPHGANCSOMEV-QUCCMNQESA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291872541 289202465 /nfs/dbraw/zinc/20/24/65/289202465.db2.gz IMSPHGANCSOMEV-QUCCMNQESA-N 1 3 344.503 1.897 20 0 EDADHO CN1CC[C@@]2(CC[N@H+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246131 /nfs/dbraw/zinc/24/61/31/289246131.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 1 3 327.428 1.700 20 0 EDADHO CN1CC[C@@]2(CC[N@@H+](CCCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000292039164 289246134 /nfs/dbraw/zinc/24/61/34/289246134.db2.gz AIVICYGGPYBZCF-LJQANCHMSA-N 1 3 327.428 1.700 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000417308813 292971617 /nfs/dbraw/zinc/97/16/17/292971617.db2.gz IESAXHUMROBBDH-MJGOQNOKSA-N 1 3 348.491 1.666 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000332543231 295267991 /nfs/dbraw/zinc/26/79/91/295267991.db2.gz YJQGZASSCOOBCX-IAGOWNOFSA-N 1 3 338.496 1.258 20 0 EDADHO C[C@@H]1CN(CCN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000660139277 453070667 /nfs/dbraw/zinc/07/06/67/453070667.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 1 3 326.529 1.053 20 0 EDADHO C[C@@H]1CN(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000660139277 453070674 /nfs/dbraw/zinc/07/06/74/453070674.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 1 3 326.529 1.053 20 0 EDADHO C[C@H]1CN(C[C@H]2CCCN(C(=O)CN)C2)c2cc(F)ccc2C[NH2+]1 ZINC000333203121 300267398 /nfs/dbraw/zinc/26/73/98/300267398.db2.gz YMSQUCWCONLNQV-KBPBESRZSA-N 1 3 334.439 1.321 20 0 EDADHO CCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420311784 304748835 /nfs/dbraw/zinc/74/88/35/304748835.db2.gz ROKMFUAJJYSUAJ-MSOLQXFVSA-N 1 3 332.492 1.479 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377739849 447330335 /nfs/dbraw/zinc/33/03/35/447330335.db2.gz BCBXUICKNJEILA-RBUKOAKNSA-N 1 3 345.487 1.879 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1COc2ccccc21 ZINC000332887142 303787552 /nfs/dbraw/zinc/78/75/52/303787552.db2.gz BSBPNNOCQYZVLO-RDTXWAMCSA-N 1 3 343.471 1.884 20 0 EDADHO COc1ccc(CNC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430597878 305057687 /nfs/dbraw/zinc/05/76/87/305057687.db2.gz BEHPDESXEVKOQI-ZDUSSCGKSA-N 1 3 335.448 1.379 20 0 EDADHO C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCC(C[NH3+])CC1 ZINC000430609921 305058708 /nfs/dbraw/zinc/05/87/08/305058708.db2.gz JCZYOQXRUFCFEL-HNNXBMFYSA-N 1 3 348.466 1.534 20 0 EDADHO COc1ccc(CCNC(=O)[C@H](C)N2CCC(C[NH3+])CC2)cc1OC ZINC000430633854 305060445 /nfs/dbraw/zinc/06/04/45/305060445.db2.gz CHTGLDCPESDRPM-AWEZNQCLSA-N 1 3 349.475 1.422 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430722495 305063355 /nfs/dbraw/zinc/06/33/55/305063355.db2.gz NBQHCDGXKCNKOG-OIISXLGYSA-N 1 3 337.508 1.913 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413860 305108495 /nfs/dbraw/zinc/10/84/95/305108495.db2.gz VHAYUXADLPCSEO-XHSDSOJGSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413860 305108496 /nfs/dbraw/zinc/10/84/96/305108496.db2.gz VHAYUXADLPCSEO-XHSDSOJGSA-N 1 3 338.496 1.412 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455425 305122967 /nfs/dbraw/zinc/12/29/67/305122967.db2.gz ZDDZYRVCBJOSSL-KRWDZBQOSA-N 1 3 330.476 1.704 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434680305 305127478 /nfs/dbraw/zinc/12/74/78/305127478.db2.gz UZOKGKUANWVDAH-AEFFLSMTSA-N 1 3 342.443 1.055 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435238027 305137681 /nfs/dbraw/zinc/13/76/81/305137681.db2.gz PCRLQFXJLZANRP-IBGZPJMESA-N 1 3 342.487 1.552 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000439396408 305197086 /nfs/dbraw/zinc/19/70/86/305197086.db2.gz NUXMCKCBWJLKMV-HNNXBMFYSA-N 1 3 332.448 1.097 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000439396408 305197087 /nfs/dbraw/zinc/19/70/87/305197087.db2.gz NUXMCKCBWJLKMV-HNNXBMFYSA-N 1 3 332.448 1.097 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246493 /nfs/dbraw/zinc/24/64/93/305246493.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 1 3 325.497 1.551 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246494 /nfs/dbraw/zinc/24/64/94/305246494.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 1 3 325.497 1.551 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CCSC1 ZINC000446289745 305262743 /nfs/dbraw/zinc/26/27/43/305262743.db2.gz SOEMNJGGKXWGKU-MGBSGCIJSA-N 1 3 341.521 1.072 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)N1CCN(C)CC1 ZINC000446575232 305267206 /nfs/dbraw/zinc/26/72/06/305267206.db2.gz IRTVTRDMMWKYFK-MRXNPFEDSA-N 1 3 339.528 1.042 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]CC2(C(=O)OC)CC2)CC1 ZINC000486933855 305546626 /nfs/dbraw/zinc/54/66/26/305546626.db2.gz JGJPSCIATIGCKR-UHFFFAOYSA-N 1 3 331.460 1.871 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909848 447353757 /nfs/dbraw/zinc/35/37/57/447353757.db2.gz CNYIQXJKTOEHOG-INIZCTEOSA-N 1 3 332.448 1.287 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495745749 305647310 /nfs/dbraw/zinc/64/73/10/305647310.db2.gz BPCWLSFDHBCZKV-CYBMUJFWSA-N 1 3 327.469 1.288 20 0 EDADHO Cc1cc(-n2cncn2)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641740 305944450 /nfs/dbraw/zinc/94/44/50/305944450.db2.gz GKCZGTOGXCJYFE-UHFFFAOYSA-N 1 3 344.463 1.141 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000535726450 306015185 /nfs/dbraw/zinc/01/51/85/306015185.db2.gz BKZVQAGEICKFOV-CVEARBPZSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000158807099 533697164 /nfs/dbraw/zinc/69/71/64/533697164.db2.gz BPDYNPPNNGBWDZ-INIZCTEOSA-N 1 3 343.475 1.743 20 0 EDADHO CN1CCC[C@H]2C[N@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385409 /nfs/dbraw/zinc/38/54/09/447385409.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 1 3 341.496 1.944 20 0 EDADHO CN1CCC[C@H]2C[N@@H+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385417 /nfs/dbraw/zinc/38/54/17/447385417.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 1 3 341.496 1.944 20 0 EDADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)C ZINC000458529361 447401931 /nfs/dbraw/zinc/40/19/31/447401931.db2.gz ZBLULYQIZKFAAU-QGZVFWFLSA-N 1 3 342.528 1.641 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458541231 447405687 /nfs/dbraw/zinc/40/56/87/447405687.db2.gz SBCRASDUGVCQGX-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCN2CCCO)C1 ZINC000458541231 447405692 /nfs/dbraw/zinc/40/56/92/447405692.db2.gz SBCRASDUGVCQGX-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO C[C@H](CCNC(=O)NC[C@H]1CCCN1CCCO)[NH+]1CCCCC1 ZINC000458642381 447436528 /nfs/dbraw/zinc/43/65/28/447436528.db2.gz IZFCRZSGCTUZEB-IAGOWNOFSA-N 1 3 340.512 1.397 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000103211893 441176720 /nfs/dbraw/zinc/17/67/20/441176720.db2.gz ADGPTDAVUXLJKE-UHFFFAOYSA-N 1 3 346.475 1.379 20 0 EDADHO CC[NH+](CC)CC(=O)NCCCN1CCN(c2cccc(C)c2)CC1 ZINC000059384472 441227641 /nfs/dbraw/zinc/22/76/41/441227641.db2.gz ALADQMDEULYFFR-UHFFFAOYSA-N 1 3 346.519 1.965 20 0 EDADHO CC[NH+]1CCC(N(C)C[C@H](O)COCc2ccccc2OC)CC1 ZINC000106388397 441335850 /nfs/dbraw/zinc/33/58/50/441335850.db2.gz DBAHKEHTTCZQMJ-SFHVURJKSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@@H](CN1CCOCC1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091510395 441709987 /nfs/dbraw/zinc/70/99/87/441709987.db2.gz RWBMQHMXQMFASX-OKZBNKHCSA-N 1 3 339.524 1.528 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741726 /nfs/dbraw/zinc/74/17/26/441741726.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 1 3 334.508 1.146 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(CC(=O)NC3CCN(C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741730 /nfs/dbraw/zinc/74/17/30/441741730.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 1 3 334.508 1.146 20 0 EDADHO CN(Cc1cccn1C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000158868874 441768258 /nfs/dbraw/zinc/76/82/58/441768258.db2.gz IJQPMOWHHRNHMT-UHFFFAOYSA-N 1 3 347.507 1.725 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000115784213 441776937 /nfs/dbraw/zinc/77/69/37/441776937.db2.gz HUIDTGYJYRFDFR-NVXWUHKLSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NC2CCN(C)CC2)[C@H](C)C1 ZINC000115784213 441776946 /nfs/dbraw/zinc/77/69/46/441776946.db2.gz HUIDTGYJYRFDFR-NVXWUHKLSA-N 1 3 340.512 1.517 20 0 EDADHO Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077809412 441864728 /nfs/dbraw/zinc/86/47/28/441864728.db2.gz QPDQIRPMLIDRIM-KRWDZBQOSA-N 1 3 348.491 1.872 20 0 EDADHO O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC1CCN(C2CC2)CC1 ZINC000142867610 441866993 /nfs/dbraw/zinc/86/69/93/441866993.db2.gz IEAYITUMPFYSMB-UHFFFAOYSA-N 1 3 348.535 1.537 20 0 EDADHO COCCN1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000140180652 441834795 /nfs/dbraw/zinc/83/47/95/441834795.db2.gz LAYMFEGTPHTHMC-UHFFFAOYSA-N 1 3 340.512 1.706 20 0 EDADHO CC1CC[NH+](CCNC(=O)NCC(C)(C)N2CCN(C)CC2)CC1 ZINC000079124654 442022269 /nfs/dbraw/zinc/02/22/69/442022269.db2.gz ADVDMNHYASCLRK-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126697133 442136238 /nfs/dbraw/zinc/13/62/38/442136238.db2.gz PIXGWKIDTCKYMO-XLIONFOSSA-N 1 3 330.520 1.864 20 0 EDADHO COCCN(C)CCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000171196252 442326139 /nfs/dbraw/zinc/32/61/39/442326139.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 1 3 348.491 1.312 20 0 EDADHO COCCN(C)CCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000171196252 442326141 /nfs/dbraw/zinc/32/61/41/442326141.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 1 3 348.491 1.312 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374980 442333055 /nfs/dbraw/zinc/33/30/55/442333055.db2.gz HNXZIAYRXZAQFM-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO C[C@H](C(=O)N1CCC(C)CC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374967 442333095 /nfs/dbraw/zinc/33/30/95/442333095.db2.gz HNXZIAYRXZAQFM-QGZVFWFLSA-N 1 3 338.540 1.591 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1F ZINC000130600062 442351189 /nfs/dbraw/zinc/35/11/89/442351189.db2.gz MZOMBXOZPUPAAU-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO CS(=O)(=O)N1CCC[C@H](CN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000131393119 442371075 /nfs/dbraw/zinc/37/10/75/442371075.db2.gz DFYDJNPMGRAWQG-QGZVFWFLSA-N 1 3 343.537 1.466 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000131376873 442371432 /nfs/dbraw/zinc/37/14/32/442371432.db2.gz WGVICJCJIGNRQD-GOSISDBHSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000131376873 442371435 /nfs/dbraw/zinc/37/14/35/442371435.db2.gz WGVICJCJIGNRQD-GOSISDBHSA-N 1 3 333.476 1.715 20 0 EDADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132396641 442392662 /nfs/dbraw/zinc/39/26/62/442392662.db2.gz QLMFOZXKYYASEF-JKSUJKDBSA-N 1 3 341.496 1.678 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000130917867 442359608 /nfs/dbraw/zinc/35/96/08/442359608.db2.gz JOWSPPHAIOZTFB-NUJGCVRESA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000154896762 442363150 /nfs/dbraw/zinc/36/31/50/442363150.db2.gz MXIWUBGMUMOJLD-MSOLQXFVSA-N 1 3 348.535 1.914 20 0 EDADHO CN(CCCOc1cccc(S(C)(=O)=O)c1)CC1CC[NH2+]CC1 ZINC000178966356 442540154 /nfs/dbraw/zinc/54/01/54/442540154.db2.gz KFWHUAANYIALQS-UHFFFAOYSA-N 1 3 340.489 1.790 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134891837 442532907 /nfs/dbraw/zinc/53/29/07/442532907.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134891837 442532911 /nfs/dbraw/zinc/53/29/11/442532911.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 1 3 338.492 1.492 20 0 EDADHO CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000187234515 442662470 /nfs/dbraw/zinc/66/24/70/442662470.db2.gz FDDCAKVPFYDECO-QGZVFWFLSA-N 1 3 336.480 1.211 20 0 EDADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000187234515 442662473 /nfs/dbraw/zinc/66/24/73/442662473.db2.gz FDDCAKVPFYDECO-QGZVFWFLSA-N 1 3 336.480 1.211 20 0 EDADHO CC1(NC(=O)CCN2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000193382445 442737559 /nfs/dbraw/zinc/73/75/59/442737559.db2.gz IVOFVDSTNYNKNU-UHFFFAOYSA-N 1 3 330.476 1.457 20 0 EDADHO C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3C[C@H](F)CN3)CC2)C[C@@H](C)O1 ZINC000188790992 442814511 /nfs/dbraw/zinc/81/45/11/442814511.db2.gz AIRIGJRQTRCOFR-TXCZRRACSA-N 1 3 341.471 1.424 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136353 442836772 /nfs/dbraw/zinc/83/67/72/442836772.db2.gz SPCGUFCZLPBBBH-HRCADAONSA-N 1 3 326.485 1.269 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189006973 442860425 /nfs/dbraw/zinc/86/04/25/442860425.db2.gz GVNONDMOQZNLCT-XJKSGUPXSA-N 1 3 325.403 1.868 20 0 EDADHO CC(C)[C@H](CNC(=O)C[C@@H]1CSCCN1)[NH+]1CCC(C)CC1 ZINC000236721021 443145574 /nfs/dbraw/zinc/14/55/74/443145574.db2.gz WHDXKAATMHWLJJ-CVEARBPZSA-N 1 3 327.538 1.954 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000184962734 443107747 /nfs/dbraw/zinc/10/77/47/443107747.db2.gz OODJLGCARGKICW-OALUTQOASA-N 1 3 344.503 1.576 20 0 EDADHO C[NH+](C)CCNC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190839670 443193369 /nfs/dbraw/zinc/19/33/69/443193369.db2.gz OHLFWQVPOOVSKI-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236997641 443156101 /nfs/dbraw/zinc/15/61/01/443156101.db2.gz DLATVZUGJGMIIC-WMZOPIPTSA-N 1 3 330.476 1.686 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453199 319134668 /nfs/dbraw/zinc/13/46/68/319134668.db2.gz PYOYQUIHPRDADJ-LVQVYYBASA-N 1 3 341.496 1.941 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453199 319134671 /nfs/dbraw/zinc/13/46/71/319134671.db2.gz PYOYQUIHPRDADJ-LVQVYYBASA-N 1 3 341.496 1.941 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1Cl ZINC000269254011 443251819 /nfs/dbraw/zinc/25/18/19/443251819.db2.gz RCJVUQQZVMGAAP-CYBMUJFWSA-N 1 3 341.839 1.597 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000411783169 319203136 /nfs/dbraw/zinc/20/31/36/319203136.db2.gz FKLMSGXPQYILFV-SJLPKXTDSA-N 1 3 327.513 1.466 20 0 EDADHO [NH3+]CCCn1ccc2cc(C(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000269267146 443258435 /nfs/dbraw/zinc/25/84/35/443258435.db2.gz PQGJONJBNZERRV-KRWDZBQOSA-N 1 3 326.444 1.910 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000414683743 319341673 /nfs/dbraw/zinc/34/16/73/319341673.db2.gz ULIMEOCNCIJHSZ-KRWDZBQOSA-N 1 3 348.491 1.827 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414685682 319342415 /nfs/dbraw/zinc/34/24/15/319342415.db2.gz DIJBSMOUAIONMV-CABCVRRESA-N 1 3 337.430 1.961 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415213228 319351980 /nfs/dbraw/zinc/35/19/80/319351980.db2.gz NPDJSOVQASAVNY-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000415937586 319383696 /nfs/dbraw/zinc/38/36/96/319383696.db2.gz XXCBPPOKSMXRLA-UHFFFAOYSA-N 1 3 347.507 1.944 20 0 EDADHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000416906098 319471195 /nfs/dbraw/zinc/47/11/95/319471195.db2.gz RYMRKJJLXBKGRA-QZTJIDSGSA-N 1 3 346.475 1.052 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418681756 319510849 /nfs/dbraw/zinc/51/08/49/319510849.db2.gz ZCJNAGXRKKDLEU-AWEZNQCLSA-N 1 3 335.452 1.439 20 0 EDADHO C[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC1 ZINC000264791622 443426890 /nfs/dbraw/zinc/42/68/90/443426890.db2.gz CVODPKPYDTVCSA-UHFFFAOYSA-N 1 3 330.476 1.998 20 0 EDADHO C[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC1 ZINC000264791622 443426894 /nfs/dbraw/zinc/42/68/94/443426894.db2.gz CVODPKPYDTVCSA-UHFFFAOYSA-N 1 3 330.476 1.998 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980360 443481039 /nfs/dbraw/zinc/48/10/39/443481039.db2.gz JXLMPYRWKBNVPD-RHSMWYFYSA-N 1 3 327.432 1.519 20 0 EDADHO c1cc2c(s1)CCN(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422730694 319734169 /nfs/dbraw/zinc/73/41/69/319734169.db2.gz FGTVRNFXVIBBDT-BRWVUGGUSA-N 1 3 335.517 1.853 20 0 EDADHO C[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN(C)CC1 ZINC000422737859 319735970 /nfs/dbraw/zinc/73/59/70/319735970.db2.gz IQNLFCOQYLMOBB-YVWKXTFCSA-N 1 3 344.503 1.468 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422947463 319740006 /nfs/dbraw/zinc/74/00/06/319740006.db2.gz QEBIPEPKNUCHAP-RCCFBDPRSA-N 1 3 331.460 1.935 20 0 EDADHO O=C(NCCN[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000422957514 319742113 /nfs/dbraw/zinc/74/21/13/319742113.db2.gz UNEFYQXZIGFUJF-CQSZACIVSA-N 1 3 340.265 1.911 20 0 EDADHO C[C@]1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000273031771 443523749 /nfs/dbraw/zinc/52/37/49/443523749.db2.gz SERUCIHQZYUQAX-FQEVSTJZSA-N 1 3 344.503 1.705 20 0 EDADHO C[NH+](C)C1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCC1 ZINC000438518994 320035118 /nfs/dbraw/zinc/03/51/18/320035118.db2.gz YAGJXRHBEJMVON-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](C)C ZINC000455446145 320303406 /nfs/dbraw/zinc/30/34/06/320303406.db2.gz VNLBPFCLLAPDMC-ARFHVFGLSA-N 1 3 340.512 1.467 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457511843 320329063 /nfs/dbraw/zinc/32/90/63/320329063.db2.gz ALYZXLKZQCIDGD-MRXNPFEDSA-N 1 3 348.491 1.576 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457511843 320329064 /nfs/dbraw/zinc/32/90/64/320329064.db2.gz ALYZXLKZQCIDGD-MRXNPFEDSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457706477 320332675 /nfs/dbraw/zinc/33/26/75/320332675.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1CCCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457706477 320332676 /nfs/dbraw/zinc/33/26/76/320332676.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC000458711507 320339198 /nfs/dbraw/zinc/33/91/98/320339198.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000458711507 320339199 /nfs/dbraw/zinc/33/91/99/320339199.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357969 /nfs/dbraw/zinc/35/79/69/320357969.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1C[C@H]1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357970 /nfs/dbraw/zinc/35/79/70/320357970.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 1 3 334.508 1.985 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)nc1 ZINC000516869455 320442283 /nfs/dbraw/zinc/44/22/83/320442283.db2.gz JXXACWNUVKRFEX-UHFFFAOYSA-N 1 3 345.491 1.311 20 0 EDADHO CN(c1ccccc1CNC[C@@H](O)[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000527757530 320523689 /nfs/dbraw/zinc/52/36/89/320523689.db2.gz KBOVGRWCGWIAEZ-WOJBJXKFSA-N 1 3 347.503 1.847 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(OC(F)F)c1 ZINC000531118901 320649469 /nfs/dbraw/zinc/64/94/69/320649469.db2.gz NMVOTRISNNSCRV-UHFFFAOYSA-N 1 3 343.418 1.782 20 0 EDADHO CN(C)[C@@]1(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCSC1 ZINC000561055446 321032112 /nfs/dbraw/zinc/03/21/12/321032112.db2.gz FSRLTSXUZXVPJS-CXAGYDPISA-N 1 3 349.504 1.456 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000563077172 321094269 /nfs/dbraw/zinc/09/42/69/321094269.db2.gz ZKPAQBFICWUSLC-UHFFFAOYSA-N 1 3 333.476 1.648 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CNCCC1(F)F ZINC000563604288 321111878 /nfs/dbraw/zinc/11/18/78/321111878.db2.gz DFLMWBBECZOWNV-UONOGXRCSA-N 1 3 332.439 1.793 20 0 EDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641484 321139750 /nfs/dbraw/zinc/13/97/50/321139750.db2.gz WDPZOPSIOVIJOS-ZBFHGGJFSA-N 1 3 343.537 1.843 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cn3ccnc3)CC2)CC1 ZINC000564736968 321144598 /nfs/dbraw/zinc/14/45/98/321144598.db2.gz QRTAKEAJGDTAQF-MRXNPFEDSA-N 1 3 347.507 1.584 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000564852075 321151138 /nfs/dbraw/zinc/15/11/38/321151138.db2.gz JEOZXFQBQOYVMQ-FGTMMUONSA-N 1 3 328.497 1.377 20 0 EDADHO CC(C)COC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000564852075 321151139 /nfs/dbraw/zinc/15/11/39/321151139.db2.gz JEOZXFQBQOYVMQ-FGTMMUONSA-N 1 3 328.497 1.377 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCO[C@@H](C)C3)CC2)CC1 ZINC000565192002 321176489 /nfs/dbraw/zinc/17/64/89/321176489.db2.gz MJRRVLISMRXGNF-RDJZCZTQSA-N 1 3 337.508 1.866 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692474 321253191 /nfs/dbraw/zinc/25/31/91/321253191.db2.gz UULWZXSSHQAZSW-SFHVURJKSA-N 1 3 345.487 1.779 20 0 EDADHO Cc1c(C(=O)N(CCN(C)C)C2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000568393244 321289626 /nfs/dbraw/zinc/28/96/26/321289626.db2.gz LEINSISJDGZGAS-UHFFFAOYSA-N 1 3 348.495 1.457 20 0 EDADHO Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)CN(C)C2CC2)cc1F ZINC000568574217 321296976 /nfs/dbraw/zinc/29/69/76/321296976.db2.gz HTKBUTLFNWVVJH-MRXNPFEDSA-N 1 3 332.423 1.865 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770193 321305963 /nfs/dbraw/zinc/30/59/63/321305963.db2.gz VNSCHZYXGMTFOE-QZTJIDSGSA-N 1 3 330.476 1.682 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285771109 444102217 /nfs/dbraw/zinc/10/22/17/444102217.db2.gz SVAARZZTDNQVAP-HNNXBMFYSA-N 1 3 346.475 1.696 20 0 EDADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000305695029 444273137 /nfs/dbraw/zinc/27/31/37/444273137.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 1 3 325.497 1.601 20 0 EDADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)N1[C@H](C)CC[C@@H]1C ZINC000305695029 444273140 /nfs/dbraw/zinc/27/31/40/444273140.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 1 3 325.497 1.601 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290100672 444242613 /nfs/dbraw/zinc/24/26/13/444242613.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 1 3 328.460 1.960 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290100672 444242616 /nfs/dbraw/zinc/24/26/16/444242616.db2.gz WVNUBNPVEKKUBO-GOEBONIOSA-N 1 3 328.460 1.960 20 0 EDADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000310505701 444291956 /nfs/dbraw/zinc/29/19/56/444291956.db2.gz JBPRIRIFNYCHPE-UYAOXDASSA-N 1 3 331.504 1.943 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000325693842 444367994 /nfs/dbraw/zinc/36/79/94/444367994.db2.gz RBFARYDBSXGLDF-KBRIMQKVSA-N 1 3 327.428 1.732 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000578847726 321839530 /nfs/dbraw/zinc/83/95/30/321839530.db2.gz QAGGVQIFMSMCRT-JKSUJKDBSA-N 1 3 342.447 1.403 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1CCN(C)C)C[NH+](C)C ZINC000340658421 444474283 /nfs/dbraw/zinc/47/42/83/444474283.db2.gz BKXWLXNMFOFYKA-CQSZACIVSA-N 1 3 334.464 1.043 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580065384 322004104 /nfs/dbraw/zinc/00/41/04/322004104.db2.gz USHVKSWAQVJXJG-BQFCYCMXSA-N 1 3 327.513 1.167 20 0 EDADHO CC(C)CN1CCC([NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580065384 322004105 /nfs/dbraw/zinc/00/41/05/322004105.db2.gz USHVKSWAQVJXJG-BQFCYCMXSA-N 1 3 327.513 1.167 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cn1cccn1 ZINC000581246086 322153891 /nfs/dbraw/zinc/15/38/91/322153891.db2.gz HVNQRNPYOSBKBF-MOPGFXCFSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246086 322153894 /nfs/dbraw/zinc/15/38/94/322153894.db2.gz HVNQRNPYOSBKBF-MOPGFXCFSA-N 1 3 328.460 1.398 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246086 322153897 /nfs/dbraw/zinc/15/38/97/322153897.db2.gz HVNQRNPYOSBKBF-MOPGFXCFSA-N 1 3 328.460 1.398 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340863927 444549438 /nfs/dbraw/zinc/54/94/38/444549438.db2.gz WICPUYUSFZRHAN-NJAFHUGGSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340863927 444549441 /nfs/dbraw/zinc/54/94/41/444549441.db2.gz WICPUYUSFZRHAN-NJAFHUGGSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@@H+]1C ZINC000341009052 444628173 /nfs/dbraw/zinc/62/81/73/444628173.db2.gz DTHOQFWYUAETAG-NXHRZFHOSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[N@H+]1C ZINC000341009052 444628176 /nfs/dbraw/zinc/62/81/76/444628176.db2.gz DTHOQFWYUAETAG-NXHRZFHOSA-N 1 3 332.492 1.941 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343859059 444632453 /nfs/dbraw/zinc/63/24/53/444632453.db2.gz FDGOVPIMANLSJE-OIISXLGYSA-N 1 3 347.459 1.294 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343859059 444632458 /nfs/dbraw/zinc/63/24/58/444632458.db2.gz FDGOVPIMANLSJE-OIISXLGYSA-N 1 3 347.459 1.294 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188389 444718517 /nfs/dbraw/zinc/71/85/17/444718517.db2.gz DAIFKKQJGQBQHA-HOTGVXAUSA-N 1 3 333.480 1.638 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccccn2)CC[N@H+]1C ZINC000341188389 444718521 /nfs/dbraw/zinc/71/85/21/444718521.db2.gz DAIFKKQJGQBQHA-HOTGVXAUSA-N 1 3 333.480 1.638 20 0 EDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344282745 444878500 /nfs/dbraw/zinc/87/85/00/444878500.db2.gz GECUWPRSKNBTJM-AWEZNQCLSA-N 1 3 337.489 1.849 20 0 EDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344282745 444878504 /nfs/dbraw/zinc/87/85/04/444878504.db2.gz GECUWPRSKNBTJM-AWEZNQCLSA-N 1 3 337.489 1.849 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943331 444955835 /nfs/dbraw/zinc/95/58/35/444955835.db2.gz PUBMOPHWSKVHRV-WBVHZDCISA-N 1 3 345.491 1.806 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000344481838 445001494 /nfs/dbraw/zinc/00/14/94/445001494.db2.gz JEGWVHKKMUNVHP-MRXNPFEDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343126618 445081909 /nfs/dbraw/zinc/08/19/09/445081909.db2.gz CXXFIYJBOXRXIY-KZNAEPCWSA-N 1 3 336.524 1.251 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1N(C)C ZINC000344720246 445136040 /nfs/dbraw/zinc/13/60/40/445136040.db2.gz GKUNBTABDCIDNZ-OAGGEKHMSA-N 1 3 343.537 1.284 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000337513449 445113594 /nfs/dbraw/zinc/11/35/94/445113594.db2.gz NXPPOAACWVMJRI-INIZCTEOSA-N 1 3 335.496 1.885 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000337513449 445113599 /nfs/dbraw/zinc/11/35/99/445113599.db2.gz NXPPOAACWVMJRI-INIZCTEOSA-N 1 3 335.496 1.885 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCN(C)CC1)CC(C)C ZINC000339632535 445156027 /nfs/dbraw/zinc/15/60/27/445156027.db2.gz TUFYWIDRXUVASW-INIZCTEOSA-N 1 3 340.512 1.070 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)N(C)C1 ZINC000347172466 445233528 /nfs/dbraw/zinc/23/35/28/445233528.db2.gz SZQYPRDGPPAGJC-QBPKDAKJSA-N 1 3 340.512 1.610 20 0 EDADHO Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348102382 445269179 /nfs/dbraw/zinc/26/91/79/445269179.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 1 3 337.487 1.749 20 0 EDADHO Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348102382 445269182 /nfs/dbraw/zinc/26/91/82/445269182.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 1 3 337.487 1.749 20 0 EDADHO CO[C@H]1C[C@H](CN2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987893 445260604 /nfs/dbraw/zinc/26/06/04/445260604.db2.gz FDMHNPGMGBBNIZ-MSOLQXFVSA-N 1 3 335.492 1.573 20 0 EDADHO CO[C@H]1C[C@H](CN2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122292 445280187 /nfs/dbraw/zinc/28/01/87/445280187.db2.gz DBPOTILIFYTJDD-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOC2CNC2)C1 ZINC000348986588 445465616 /nfs/dbraw/zinc/46/56/16/445465616.db2.gz CDCWGSORNWGPQP-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCOC2CNC2)C1 ZINC000348986588 445465617 /nfs/dbraw/zinc/46/56/17/445465617.db2.gz CDCWGSORNWGPQP-MRXNPFEDSA-N 1 3 345.487 1.913 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718411 445516517 /nfs/dbraw/zinc/51/65/17/445516517.db2.gz XBFXZCZZARUJSB-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO OCCC[C@@H]1CCCN1CC1(C[N@@H+]2CCC[C@H]2CCCO)COC1 ZINC000359995060 445519307 /nfs/dbraw/zinc/51/93/07/445519307.db2.gz XMSIVOVSLXXOKW-ROUUACIJSA-N 1 3 340.508 1.477 20 0 EDADHO OCCC[C@@H]1CCCN1CC1(C[N@H+]2CCC[C@H]2CCCO)COC1 ZINC000359995060 445519310 /nfs/dbraw/zinc/51/93/10/445519310.db2.gz XMSIVOVSLXXOKW-ROUUACIJSA-N 1 3 340.508 1.477 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1)S(C)(=O)=O ZINC000352543959 445536962 /nfs/dbraw/zinc/53/69/62/445536962.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 1 3 331.526 1.464 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1)S(C)(=O)=O ZINC000352543959 445536967 /nfs/dbraw/zinc/53/69/67/445536967.db2.gz LSNIBNVHTIRIGJ-HOTGVXAUSA-N 1 3 331.526 1.464 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220877 445489829 /nfs/dbraw/zinc/48/98/29/445489829.db2.gz AFGHTFWJWUXXNE-YJBOKZPZSA-N 1 3 333.476 1.668 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000357235692 445498195 /nfs/dbraw/zinc/49/81/95/445498195.db2.gz DMJUEPWBFLNQKU-SFHVURJKSA-N 1 3 330.476 1.193 20 0 EDADHO [NH3+]C[C@H](C(=O)NC[C@@H]1NCCc2ccccc21)c1ccc(F)cc1 ZINC000357241851 445502445 /nfs/dbraw/zinc/50/24/45/445502445.db2.gz OCZFPOACMBYGLW-ROUUACIJSA-N 1 3 327.403 1.871 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000358165733 445609431 /nfs/dbraw/zinc/60/94/31/445609431.db2.gz OMJHXJOYECRTIZ-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@@H](OC)CN1C ZINC000358165733 445609433 /nfs/dbraw/zinc/60/94/33/445609433.db2.gz OMJHXJOYECRTIZ-HRCADAONSA-N 1 3 328.501 1.467 20 0 EDADHO NC(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000353460128 445612072 /nfs/dbraw/zinc/61/20/72/445612072.db2.gz NUWYYPDPGDUOFJ-CQSZACIVSA-N 1 3 345.365 1.667 20 0 EDADHO C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358507000 445623296 /nfs/dbraw/zinc/62/32/96/445623296.db2.gz MLRQPOZBTYWMGR-IAGOWNOFSA-N 1 3 337.508 1.773 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000362985175 445638510 /nfs/dbraw/zinc/63/85/10/445638510.db2.gz AHYODWJFRPEZFG-YSHGAJCASA-N 1 3 345.487 1.183 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000362985175 445638512 /nfs/dbraw/zinc/63/85/12/445638512.db2.gz AHYODWJFRPEZFG-YSHGAJCASA-N 1 3 345.487 1.183 20 0 EDADHO CSC1(CNC(=O)N[C@H](C)C2=CCN(C)CC2)CC[NH+](C)CC1 ZINC000357910708 445592886 /nfs/dbraw/zinc/59/28/86/445592886.db2.gz CGRYYXPPHPMXOH-CQSZACIVSA-N 1 3 340.537 1.763 20 0 EDADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349859064 445702173 /nfs/dbraw/zinc/70/21/73/445702173.db2.gz SXZBDZJQXLKQCM-OAHLLOKOSA-N 1 3 340.512 1.022 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H](N3CC=CC3)C2)CC[NH+](C)CC1 ZINC000360664443 445720960 /nfs/dbraw/zinc/72/09/60/445720960.db2.gz HQZBSHHAGOFOCJ-HNNXBMFYSA-N 1 3 338.521 1.470 20 0 EDADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@]2(O)CCN(C)C2)CC1 ZINC000358714987 445736648 /nfs/dbraw/zinc/73/66/48/445736648.db2.gz YLLPECXAFUSKKK-GOSISDBHSA-N 1 3 340.512 1.110 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(CO)c3)CC2)CC1 ZINC000366020179 445965944 /nfs/dbraw/zinc/96/59/44/445965944.db2.gz ZZGHGBLYDALTNJ-UHFFFAOYSA-N 1 3 331.460 1.467 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)c1=O ZINC000365091876 446018694 /nfs/dbraw/zinc/01/86/94/446018694.db2.gz GMQNTJJXMCNYKQ-BFYDXBDKSA-N 1 3 347.507 1.550 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)c1=O ZINC000365091876 446018702 /nfs/dbraw/zinc/01/87/02/446018702.db2.gz GMQNTJJXMCNYKQ-BFYDXBDKSA-N 1 3 347.507 1.550 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000583932761 326168019 /nfs/dbraw/zinc/16/80/19/326168019.db2.gz IKAWVBRRMWDYMR-QAPCUYQASA-N 1 3 330.476 1.986 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000583932761 326168022 /nfs/dbraw/zinc/16/80/22/326168022.db2.gz IKAWVBRRMWDYMR-QAPCUYQASA-N 1 3 330.476 1.986 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000373192727 446088626 /nfs/dbraw/zinc/08/86/26/446088626.db2.gz WANBEVVFQGANJD-FHWLQOOXSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373192727 446088632 /nfs/dbraw/zinc/08/86/32/446088632.db2.gz WANBEVVFQGANJD-FHWLQOOXSA-N 1 3 344.503 1.895 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000369402806 446117424 /nfs/dbraw/zinc/11/74/24/446117424.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000369402806 446117430 /nfs/dbraw/zinc/11/74/30/446117430.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000365406992 446192765 /nfs/dbraw/zinc/19/27/65/446192765.db2.gz XSDCTVMQCDTGMY-MRXNPFEDSA-N 1 3 332.448 1.530 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000365406992 446192768 /nfs/dbraw/zinc/19/27/68/446192768.db2.gz XSDCTVMQCDTGMY-MRXNPFEDSA-N 1 3 332.448 1.530 20 0 EDADHO COCCN[C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000359381903 446186715 /nfs/dbraw/zinc/18/67/15/446186715.db2.gz SPIXDJOLZCGSHK-CQSZACIVSA-N 1 3 343.493 1.214 20 0 EDADHO COC1(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000366329149 446156321 /nfs/dbraw/zinc/15/63/21/446156321.db2.gz XCSYJTYQVPONMS-KRWDZBQOSA-N 1 3 346.475 1.178 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CCCNC1=O ZINC000362364169 446335403 /nfs/dbraw/zinc/33/54/03/446335403.db2.gz HABLHFBTIRKRCK-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417362449 446348615 /nfs/dbraw/zinc/34/86/15/446348615.db2.gz LGABWOCSUZZEGG-OAHLLOKOSA-N 1 3 334.464 1.426 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074301 446351193 /nfs/dbraw/zinc/35/11/93/446351193.db2.gz JOJGTOQYJLEIOG-AWEZNQCLSA-N 1 3 338.496 1.807 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000365837514 446364079 /nfs/dbraw/zinc/36/40/79/446364079.db2.gz LQMOYTSXAUYEKN-OAHLLOKOSA-N 1 3 348.495 2.003 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000365837514 446364085 /nfs/dbraw/zinc/36/40/85/446364085.db2.gz LQMOYTSXAUYEKN-OAHLLOKOSA-N 1 3 348.495 2.003 20 0 EDADHO CC[NH+]1CCN(CCCCNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC000365855411 446373214 /nfs/dbraw/zinc/37/32/14/446373214.db2.gz KAOPCZAXNROEHB-MRXNPFEDSA-N 1 3 333.480 1.294 20 0 EDADHO C[NH+](C)CC1(NC(=O)C2CCN(Cc3cccnc3)CC2)CCC1 ZINC000366845344 446378921 /nfs/dbraw/zinc/37/89/21/446378921.db2.gz MRXHNBZQJXYWAX-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000370691672 446389327 /nfs/dbraw/zinc/38/93/27/446389327.db2.gz QFLPFWDAEKBLFI-GOSISDBHSA-N 1 3 327.513 1.263 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417363522 446349415 /nfs/dbraw/zinc/34/94/15/446349415.db2.gz MFYYRCQRVOYPNA-MRXNPFEDSA-N 1 3 334.464 1.650 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418072561 446431378 /nfs/dbraw/zinc/43/13/78/446431378.db2.gz KRXMSHJTUUMVNV-SJLPKXTDSA-N 1 3 348.491 1.432 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000423124189 446431653 /nfs/dbraw/zinc/43/16/53/446431653.db2.gz MFUXFTVSLIPJJA-RTBURBONSA-N 1 3 348.491 1.269 20 0 EDADHO CN(C)CCOC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431792646 446433720 /nfs/dbraw/zinc/43/37/20/446433720.db2.gz WOGYEPGCAXKFMH-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)CCOC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431792646 446433725 /nfs/dbraw/zinc/43/37/25/446433725.db2.gz WOGYEPGCAXKFMH-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CC[C@@H](NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423130225 446434375 /nfs/dbraw/zinc/43/43/75/446434375.db2.gz GFNORDDHXXBFIC-VAMGGRTRSA-N 1 3 331.504 1.916 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418107095 446439843 /nfs/dbraw/zinc/43/98/43/446439843.db2.gz OKMLGUNXTVBOCJ-PGKBUCCNSA-N 1 3 336.402 1.827 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420282680 446449736 /nfs/dbraw/zinc/44/97/36/446449736.db2.gz BAEUMHJHUBFLKO-MSOLQXFVSA-N 1 3 334.508 1.711 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000418009941 446414779 /nfs/dbraw/zinc/41/47/79/446414779.db2.gz IWGOQGMFWNANAJ-CGTJXYLNSA-N 1 3 330.476 1.900 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420295519 446456936 /nfs/dbraw/zinc/45/69/36/446456936.db2.gz PKSANHWWIHBONK-UONOGXRCSA-N 1 3 347.459 1.537 20 0 EDADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420310499 446473668 /nfs/dbraw/zinc/47/36/68/446473668.db2.gz VCIYSQKAAGKVAU-OAHLLOKOSA-N 1 3 334.439 1.381 20 0 EDADHO C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCCC[C@H]1C ZINC000423318626 446486394 /nfs/dbraw/zinc/48/63/94/446486394.db2.gz CRDALENAVAJSHU-KFWWJZLASA-N 1 3 333.480 1.869 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000423338410 446494918 /nfs/dbraw/zinc/49/49/18/446494918.db2.gz RMWAYKUFMMUBAT-UHFFFAOYSA-N 1 3 345.487 1.578 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423339471 446495210 /nfs/dbraw/zinc/49/52/10/446495210.db2.gz VDQDAOKNBYKVEO-UHFFFAOYSA-N 1 3 330.436 1.721 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341856 446512860 /nfs/dbraw/zinc/51/28/60/446512860.db2.gz QLXNFLRYLIIHGL-FGTMMUONSA-N 1 3 330.476 1.089 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418361458 446515170 /nfs/dbraw/zinc/51/51/70/446515170.db2.gz KYBCWHLJSGIAFO-SZMVWBNQSA-N 1 3 348.491 1.024 20 0 EDADHO COc1ccc(CN2CCCN(CC[C@H]3CC[NH2+]C3)CC2=O)cc1 ZINC000420382131 446559355 /nfs/dbraw/zinc/55/93/55/446559355.db2.gz YJGYEFFLVNHMOO-MRXNPFEDSA-N 1 3 331.460 1.729 20 0 EDADHO COc1ccccc1CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344857 446517581 /nfs/dbraw/zinc/51/75/81/446517581.db2.gz UVUNNZHXCGROKJ-NVXWUHKLSA-N 1 3 331.460 1.633 20 0 EDADHO N[C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423409283 446521436 /nfs/dbraw/zinc/52/14/36/446521436.db2.gz BPBKBMDFHVIVEW-AEFFLSMTSA-N 1 3 337.508 1.901 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000433168576 446540900 /nfs/dbraw/zinc/54/09/00/446540900.db2.gz NPWYMEBWDXEGBV-QGZVFWFLSA-N 1 3 346.475 1.682 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418603888 446611501 /nfs/dbraw/zinc/61/15/01/446611501.db2.gz XATKQNNLAFKFMB-YJBOKZPZSA-N 1 3 348.491 1.766 20 0 EDADHO CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418530978 446583345 /nfs/dbraw/zinc/58/33/45/446583345.db2.gz VVMLDURHFWNCLU-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418538664 446584829 /nfs/dbraw/zinc/58/48/29/446584829.db2.gz DWKXBYFVHBMIGW-WBVHZDCISA-N 1 3 333.480 1.815 20 0 EDADHO CN1CC[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412186 446586314 /nfs/dbraw/zinc/58/63/14/446586314.db2.gz SFAGLULTZJMERI-WOZUAGRISA-N 1 3 339.483 1.952 20 0 EDADHO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000434467607 446646942 /nfs/dbraw/zinc/64/69/42/446646942.db2.gz OUYPHVQWGPWHPW-GJZGRUSLSA-N 1 3 336.505 1.826 20 0 EDADHO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000434467607 446646946 /nfs/dbraw/zinc/64/69/46/446646946.db2.gz OUYPHVQWGPWHPW-GJZGRUSLSA-N 1 3 336.505 1.826 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418737681 446661065 /nfs/dbraw/zinc/66/10/65/446661065.db2.gz YKZPPQVZEAUIGA-PMPSAXMXSA-N 1 3 326.485 1.256 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000375242946 446665015 /nfs/dbraw/zinc/66/50/15/446665015.db2.gz SBWZOVXRRZFHPO-MRXNPFEDSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751841 446671709 /nfs/dbraw/zinc/67/17/09/446671709.db2.gz RZIUOLRBAKZKQX-HOTGVXAUSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000418776397 446694169 /nfs/dbraw/zinc/69/41/69/446694169.db2.gz XHYXCBGMQVAKHV-JYJNAYRXSA-N 1 3 326.485 1.175 20 0 EDADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418790241 446703625 /nfs/dbraw/zinc/70/36/25/446703625.db2.gz MSMAKNKGUKJVGW-QGZVFWFLSA-N 1 3 340.512 1.663 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000423836690 446723946 /nfs/dbraw/zinc/72/39/46/446723946.db2.gz AKQNAHHMSKBMRY-QYZOEREBSA-N 1 3 345.487 1.782 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCN1CCN(CCN2CCCOCC2)CC1 ZINC000375337586 446731354 /nfs/dbraw/zinc/73/13/54/446731354.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 1 3 338.540 1.201 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCN1CCN(CCN2CCCOCC2)CC1 ZINC000375337586 446731359 /nfs/dbraw/zinc/73/13/59/446731359.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 1 3 338.540 1.201 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000418840954 446745423 /nfs/dbraw/zinc/74/54/23/446745423.db2.gz FTFWTYXEZGKCII-DLBZAZTESA-N 1 3 346.475 1.006 20 0 EDADHO C[C@H](NC(=O)[C@H](N)C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886042 446743679 /nfs/dbraw/zinc/74/36/79/446743679.db2.gz ZOYNIUBHPPXDHZ-ZYSHUDEJSA-N 1 3 345.487 1.767 20 0 EDADHO C[C@H](NC(=O)[C@H](N)C1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423886042 446743688 /nfs/dbraw/zinc/74/36/88/446743688.db2.gz ZOYNIUBHPPXDHZ-ZYSHUDEJSA-N 1 3 345.487 1.767 20 0 EDADHO C[N@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CC1 ZINC000418985759 446848725 /nfs/dbraw/zinc/84/87/25/446848725.db2.gz FUBYDYTVSXGXPV-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO C[N@@H+](CCCCNC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C1CC1 ZINC000418985759 446848737 /nfs/dbraw/zinc/84/87/37/446848737.db2.gz FUBYDYTVSXGXPV-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO CS(=O)(=O)CCCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385920 446869188 /nfs/dbraw/zinc/86/91/88/446869188.db2.gz WYDLTJKVUJLFLC-DOTOQJQBSA-N 1 3 338.473 1.657 20 0 EDADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN(C2CCOCC2)C[C@@H]1C ZINC000377082377 446909497 /nfs/dbraw/zinc/90/94/97/446909497.db2.gz NDEBVHBVUVCDHU-LNLFQRSKSA-N 1 3 336.524 1.645 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419096415 446922068 /nfs/dbraw/zinc/92/20/68/446922068.db2.gz CGDSQTWBTRRFGK-OAGGEKHMSA-N 1 3 338.496 1.095 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419113191 446931981 /nfs/dbraw/zinc/93/19/81/446931981.db2.gz QOYGAKLKVPFOAV-OAHLLOKOSA-N 1 3 348.491 1.066 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000412325176 446936832 /nfs/dbraw/zinc/93/68/32/446936832.db2.gz WYTVFBAXNXRWME-CABCVRRESA-N 1 3 340.512 1.260 20 0 EDADHO CCn1nccc1CCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420975894 446947378 /nfs/dbraw/zinc/94/73/78/446947378.db2.gz GFXNSLSHBQUNSU-UHFFFAOYSA-N 1 3 333.524 1.938 20 0 EDADHO CCn1nccc1CCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420975894 446947383 /nfs/dbraw/zinc/94/73/83/446947383.db2.gz GFXNSLSHBQUNSU-UHFFFAOYSA-N 1 3 333.524 1.938 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419215359 447014140 /nfs/dbraw/zinc/01/41/40/447014140.db2.gz OHOJTLBPUJNFIP-GJZGRUSLSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@@H](CN)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000419215359 447014145 /nfs/dbraw/zinc/01/41/45/447014145.db2.gz OHOJTLBPUJNFIP-GJZGRUSLSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[NH+](C)C ZINC000454859317 446987765 /nfs/dbraw/zinc/98/77/65/446987765.db2.gz NLUTURGYBFIOPE-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CCOCc1ccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443059055 447000417 /nfs/dbraw/zinc/00/04/17/447000417.db2.gz LTWMHHRMGUOWLS-KRWDZBQOSA-N 1 3 333.476 1.900 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000413300667 447125145 /nfs/dbraw/zinc/12/51/45/447125145.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN(CC)C2)[C@@H](C)C1 ZINC000413300667 447125152 /nfs/dbraw/zinc/12/51/52/447125152.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCN(CCc2ccccn2)CC1 ZINC000444185457 447092390 /nfs/dbraw/zinc/09/23/90/447092390.db2.gz QINIMGJWAYSRHZ-AZUAARDMSA-N 1 3 342.487 1.547 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCCC3(CCOCC3)C2)CC1 ZINC000375889520 447124122 /nfs/dbraw/zinc/12/41/22/447124122.db2.gz KCBQBZCLGJTGRA-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813223 447127028 /nfs/dbraw/zinc/12/70/28/447127028.db2.gz DKZUIBQVJNPKFA-UGSOOPFHSA-N 1 3 344.415 1.094 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000377526566 447182455 /nfs/dbraw/zinc/18/24/55/447182455.db2.gz WATLMQAKXBOOJG-TYNCELHUSA-N 1 3 339.461 1.138 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000377526566 447182464 /nfs/dbraw/zinc/18/24/64/447182464.db2.gz WATLMQAKXBOOJG-TYNCELHUSA-N 1 3 339.461 1.138 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCCO1 ZINC000368892581 447184317 /nfs/dbraw/zinc/18/43/17/447184317.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3CCN(C)C[C@H]32)CCCO1 ZINC000368892581 447184320 /nfs/dbraw/zinc/18/43/20/447184320.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1noc(C)c1C ZINC000455676474 447206876 /nfs/dbraw/zinc/20/68/76/447206876.db2.gz UQTLCLZCHBVBET-OAHLLOKOSA-N 1 3 337.468 2.171 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1noc(C)c1C ZINC000455676474 447206887 /nfs/dbraw/zinc/20/68/87/447206887.db2.gz UQTLCLZCHBVBET-OAHLLOKOSA-N 1 3 337.468 2.171 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268741 /nfs/dbraw/zinc/26/87/41/447268741.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268747 /nfs/dbraw/zinc/26/87/47/447268747.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[NH+](C)C ZINC000459039990 447548602 /nfs/dbraw/zinc/54/86/02/447548602.db2.gz KTUQFUGXLDNPKU-ZDUSSCGKSA-N 1 3 342.434 1.988 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416839141 447694820 /nfs/dbraw/zinc/69/48/20/447694820.db2.gz JKONWYDZUOZNAT-SFHVURJKSA-N 1 3 344.503 1.944 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422639998 447684173 /nfs/dbraw/zinc/68/41/73/447684173.db2.gz UIHPFUZTQVRFGW-KRWDZBQOSA-N 1 3 330.476 1.233 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000416949427 447722667 /nfs/dbraw/zinc/72/26/67/447722667.db2.gz HEDCJPFYNWHXLT-QZTJIDSGSA-N 1 3 347.507 1.258 20 0 EDADHO CC[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417024313 447730900 /nfs/dbraw/zinc/73/09/00/447730900.db2.gz XADZQJKXMRBNTR-MSOLQXFVSA-N 1 3 330.476 1.860 20 0 EDADHO CC(C)(CNC(=O)N1CCO[C@@H](C[NH3+])C1)N1CCc2ccccc2C1 ZINC000417088680 447734777 /nfs/dbraw/zinc/73/47/77/447734777.db2.gz LLVUSVXVUWFNGQ-KRWDZBQOSA-N 1 3 346.475 1.192 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755782 447740673 /nfs/dbraw/zinc/74/06/73/447740673.db2.gz HATOOXLTHGKUGH-IUODEOHRSA-N 1 3 345.896 1.725 20 0 EDADHO C[C@@H](NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422831888 447763095 /nfs/dbraw/zinc/76/30/95/447763095.db2.gz KCEILVDUHRLTCR-QUCCMNQESA-N 1 3 330.520 1.924 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000471853167 447815749 /nfs/dbraw/zinc/81/57/49/447815749.db2.gz YZCJHZKIFSEGMA-JKSUJKDBSA-N 1 3 332.448 1.244 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000471853167 447815751 /nfs/dbraw/zinc/81/57/51/447815751.db2.gz YZCJHZKIFSEGMA-JKSUJKDBSA-N 1 3 332.448 1.244 20 0 EDADHO NC(=O)NC(=O)CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853167 447815753 /nfs/dbraw/zinc/81/57/53/447815753.db2.gz YZCJHZKIFSEGMA-JKSUJKDBSA-N 1 3 332.448 1.244 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458323312 447769663 /nfs/dbraw/zinc/76/96/63/447769663.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458323312 447769668 /nfs/dbraw/zinc/76/96/68/447769668.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@H]1CCCCN1CCO)C1CCCC1 ZINC000458330639 447770562 /nfs/dbraw/zinc/77/05/62/447770562.db2.gz FSENEWQQZLMPQW-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@H]1CCCCN1CCO)C1CCCC1 ZINC000458330639 447770565 /nfs/dbraw/zinc/77/05/65/447770565.db2.gz FSENEWQQZLMPQW-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO O=C(CCC[NH2+]C1CCNCC1)N1CCN(c2ccccc2)CC1 ZINC000422915192 447771286 /nfs/dbraw/zinc/77/12/86/447771286.db2.gz XNZCYQGKQNWZEU-UHFFFAOYSA-N 1 3 330.476 1.457 20 0 EDADHO O=C(CCCNC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422915192 447771291 /nfs/dbraw/zinc/77/12/91/447771291.db2.gz XNZCYQGKQNWZEU-UHFFFAOYSA-N 1 3 330.476 1.457 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNC(=O)c1cccc(Br)c1 ZINC000422953147 447779463 /nfs/dbraw/zinc/77/94/63/447779463.db2.gz DLDYYEMFMPMUDV-JSGCOSHPSA-N 1 3 340.265 1.896 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953147 447779466 /nfs/dbraw/zinc/77/94/66/447779466.db2.gz DLDYYEMFMPMUDV-JSGCOSHPSA-N 1 3 340.265 1.896 20 0 EDADHO CC[C@H](NC[C@H](O)CN1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422963541 447782267 /nfs/dbraw/zinc/78/22/67/447782267.db2.gz GFNORDDHXXBFIC-UFYCRDLUSA-N 1 3 331.504 1.916 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800443 447786247 /nfs/dbraw/zinc/78/62/47/447786247.db2.gz QYLSGTJCHBSGNM-BBRMVZONSA-N 1 3 348.495 1.456 20 0 EDADHO COc1ccc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cc1S(N)(=O)=O ZINC000423019137 447792534 /nfs/dbraw/zinc/79/25/34/447792534.db2.gz UDUFDSOCQPGKSR-UONOGXRCSA-N 1 3 341.477 1.135 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]2CN)s1 ZINC000423104989 447806133 /nfs/dbraw/zinc/80/61/33/447806133.db2.gz HYJOPRZJSHEBDV-NOOOWODRSA-N 1 3 325.482 1.781 20 0 EDADHO CCc1nnc(NC(=O)[C@H](C)[C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000423104989 447806134 /nfs/dbraw/zinc/80/61/34/447806134.db2.gz HYJOPRZJSHEBDV-NOOOWODRSA-N 1 3 325.482 1.781 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864947 /nfs/dbraw/zinc/86/49/47/447864947.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864950 /nfs/dbraw/zinc/86/49/50/447864950.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 1 3 334.508 1.985 20 0 EDADHO CN1CCN(CCCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000530678266 447938585 /nfs/dbraw/zinc/93/85/85/447938585.db2.gz BAPMOLHYKUEIQP-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO CN(CCCN(C)C(=O)C12CCC[NH+]1CCC2)Cc1ccncc1 ZINC000576113361 447976402 /nfs/dbraw/zinc/97/64/02/447976402.db2.gz HMFQOUCPXKDZRR-UHFFFAOYSA-N 1 3 330.476 1.990 20 0 EDADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CN4CCN3CCC4)ccc21 ZINC000570902898 448079863 /nfs/dbraw/zinc/07/98/63/448079863.db2.gz CFBUIIFKRAORHH-ZWKOTPCHSA-N 1 3 328.460 1.564 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CN1C1CC1 ZINC000531484977 448092413 /nfs/dbraw/zinc/09/24/13/448092413.db2.gz MLGIQDGYNMMSPP-BFYDXBDKSA-N 1 3 338.496 1.004 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)N(CC)CC ZINC000502583966 448102969 /nfs/dbraw/zinc/10/29/69/448102969.db2.gz BFWVHIVBXUWKPH-ULQDDVLXSA-N 1 3 325.497 1.819 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000576492613 448068656 /nfs/dbraw/zinc/06/86/56/448068656.db2.gz OGWPOWLEZYQUFL-RHSMWYFYSA-N 1 3 331.464 1.595 20 0 EDADHO CC(=O)Nc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000526942548 448122274 /nfs/dbraw/zinc/12/22/74/448122274.db2.gz BUNFOMOOIZBUFR-UHFFFAOYSA-N 1 3 334.464 1.519 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497019536 448128856 /nfs/dbraw/zinc/12/88/56/448128856.db2.gz JDMPLGHUTJICLO-HOTGVXAUSA-N 1 3 343.512 1.782 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497019536 448128858 /nfs/dbraw/zinc/12/88/58/448128858.db2.gz JDMPLGHUTJICLO-HOTGVXAUSA-N 1 3 343.512 1.782 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000527126731 448165226 /nfs/dbraw/zinc/16/52/26/448165226.db2.gz QQLGCVZJABIMLP-UHFFFAOYSA-N 1 3 325.482 1.978 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000527127100 448165835 /nfs/dbraw/zinc/16/58/35/448165835.db2.gz OQIGPHNSXICEPP-UHFFFAOYSA-N 1 3 348.495 1.639 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000532195260 448215143 /nfs/dbraw/zinc/21/51/43/448215143.db2.gz ZJYDRNSYAIGNEE-UHFFFAOYSA-N 1 3 337.430 1.840 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000577368005 448277656 /nfs/dbraw/zinc/27/76/56/448277656.db2.gz HDCZNDHRXDXDLB-ICSRJNTNSA-N 1 3 344.503 1.481 20 0 EDADHO COc1ccc(OC)c(/C=C\C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000492804361 448298454 /nfs/dbraw/zinc/29/84/54/448298454.db2.gz HNGWGEUAAASJLR-YFHOEESVSA-N 1 3 349.475 1.669 20 0 EDADHO CN1CCC(C[NH2+]Cc2cc3cccnc3o2)(N2CCOCC2)CC1 ZINC000582832653 448351063 /nfs/dbraw/zinc/35/10/63/448351063.db2.gz DHKYEIDKBQXEJR-UHFFFAOYSA-N 1 3 344.459 1.714 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527768069 448356519 /nfs/dbraw/zinc/35/65/19/448356519.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527768069 448356521 /nfs/dbraw/zinc/35/65/21/448356521.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCOC)CC2)CC1 ZINC000516581122 448444091 /nfs/dbraw/zinc/44/40/91/448444091.db2.gz CESUNMGEVFKDFY-OAHLLOKOSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)CN1CCCC1 ZINC000572713949 448445076 /nfs/dbraw/zinc/44/50/76/448445076.db2.gz OJKIPCXRWMLHPO-HUUCEWRRSA-N 1 3 336.432 1.477 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000572971140 448510499 /nfs/dbraw/zinc/51/04/99/448510499.db2.gz XDZGICCLEJRDFX-CRAIPNDOSA-N 1 3 345.491 1.948 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000573073447 448535052 /nfs/dbraw/zinc/53/50/52/448535052.db2.gz CORIHUZVMNFLNE-BFYDXBDKSA-N 1 3 332.448 1.021 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000566676095 448535587 /nfs/dbraw/zinc/53/55/87/448535587.db2.gz RVUOZEKDHKHADT-APWZRJJASA-N 1 3 344.503 1.438 20 0 EDADHO CC(C)CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCN(C)CC1 ZINC000517568823 448594066 /nfs/dbraw/zinc/59/40/66/448594066.db2.gz BAZPPPYAMXOBBY-OAHLLOKOSA-N 1 3 348.495 1.223 20 0 EDADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000518032339 448640846 /nfs/dbraw/zinc/64/08/46/448640846.db2.gz UZWXLGDOECLMAT-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000518214976 448655329 /nfs/dbraw/zinc/65/53/29/448655329.db2.gz ILSVBGYQNTWHCV-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000518214976 448655333 /nfs/dbraw/zinc/65/53/33/448655333.db2.gz ILSVBGYQNTWHCV-MOPGFXCFSA-N 1 3 345.487 1.472 20 0 EDADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1F ZINC000578770706 448634400 /nfs/dbraw/zinc/63/44/00/448634400.db2.gz ZLVFJNJSDDJIDX-OAHLLOKOSA-N 1 3 326.412 1.002 20 0 EDADHO CN(CCC[NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000518499129 448685390 /nfs/dbraw/zinc/68/53/90/448685390.db2.gz MQRWZGQEBFRDDA-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO C[C@@H](CNCCc1ccc(OCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000573794327 448713442 /nfs/dbraw/zinc/71/34/42/448713442.db2.gz FQYMCDHBQACBIS-AWEZNQCLSA-N 1 3 328.478 1.192 20 0 EDADHO COc1cc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc2c1OCO2 ZINC000518492277 448684922 /nfs/dbraw/zinc/68/49/22/448684922.db2.gz LSAPKNLQJPOEPE-CABCVRRESA-N 1 3 346.427 1.624 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000573855474 448730607 /nfs/dbraw/zinc/73/06/07/448730607.db2.gz IQYIFMPCPJMLOU-UHFFFAOYSA-N 1 3 348.491 1.897 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCOCC1 ZINC000529286051 448808066 /nfs/dbraw/zinc/80/80/66/448808066.db2.gz VWHPZFAWGCPTRY-INIZCTEOSA-N 1 3 332.448 1.068 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529306688 448814201 /nfs/dbraw/zinc/81/42/01/448814201.db2.gz JACRKAUMDYJYKV-NVXWUHKLSA-N 1 3 336.480 1.023 20 0 EDADHO O=c1c2ccccc2ncn1CCN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574324400 448845703 /nfs/dbraw/zinc/84/57/03/448845703.db2.gz LXJTUHCKLKEHKA-HZPDHXFCSA-N 1 3 326.444 1.718 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568194919 448834155 /nfs/dbraw/zinc/83/41/55/448834155.db2.gz WYYMQMJFLSRBHV-UHFFFAOYSA-N 1 3 345.447 1.767 20 0 EDADHO CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000519754423 448836416 /nfs/dbraw/zinc/83/64/16/448836416.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 1 3 337.512 1.068 20 0 EDADHO CN1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](CN)C1 ZINC000519754423 448836419 /nfs/dbraw/zinc/83/64/19/448836419.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 1 3 337.512 1.068 20 0 EDADHO CC[NH2+]CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000579814594 448883365 /nfs/dbraw/zinc/88/33/65/448883365.db2.gz WQAQBUARYRFHTH-UHFFFAOYSA-N 1 3 328.526 1.647 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncccc1OC ZINC000547469458 448884552 /nfs/dbraw/zinc/88/45/52/448884552.db2.gz ZEVMSTQWVGKTKH-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ncccc1OC ZINC000547469458 448884558 /nfs/dbraw/zinc/88/45/58/448884558.db2.gz ZEVMSTQWVGKTKH-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000568371635 448861859 /nfs/dbraw/zinc/86/18/59/448861859.db2.gz NTUYKRHKGAOUNH-CRAIPNDOSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ocnc1-c1ccccc1 ZINC000569306435 448997297 /nfs/dbraw/zinc/99/72/97/448997297.db2.gz UVCKIWWVHFITJE-UHFFFAOYSA-N 1 3 330.432 1.907 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C)(C)[C@@H](C)O)CC2)CC1 ZINC000575069898 449027633 /nfs/dbraw/zinc/02/76/33/449027633.db2.gz MHYOWTRPBCMXRB-CQSZACIVSA-N 1 3 325.497 1.458 20 0 EDADHO CSC1(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)CCN(C)CC1 ZINC000589614770 449040137 /nfs/dbraw/zinc/04/01/37/449040137.db2.gz GDGJWDVWTZAVPH-CQSZACIVSA-N 1 3 342.553 1.843 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H](F)C3)CC2)CC1 ZINC000522005182 449040438 /nfs/dbraw/zinc/04/04/38/449040438.db2.gz WHOCSUYEDMXSSP-AWEZNQCLSA-N 1 3 326.460 1.689 20 0 EDADHO CCn1ncnc1CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000569590720 449052415 /nfs/dbraw/zinc/05/24/15/449052415.db2.gz VSVKDZIWKKXMEU-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO C[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000593730817 449165060 /nfs/dbraw/zinc/16/50/60/449165060.db2.gz HLLAMUXFXKZCQD-WDEREUQCSA-N 1 3 338.374 1.214 20 0 EDADHO C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCN ZINC000593730817 449165063 /nfs/dbraw/zinc/16/50/63/449165063.db2.gz HLLAMUXFXKZCQD-WDEREUQCSA-N 1 3 338.374 1.214 20 0 EDADHO C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CCN ZINC000593730817 449165067 /nfs/dbraw/zinc/16/50/67/449165067.db2.gz HLLAMUXFXKZCQD-WDEREUQCSA-N 1 3 338.374 1.214 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095137 449340134 /nfs/dbraw/zinc/34/01/34/449340134.db2.gz DGLQKAXZYKNJPQ-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO CCN1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC000602095137 449340143 /nfs/dbraw/zinc/34/01/43/449340143.db2.gz DGLQKAXZYKNJPQ-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3COC(C)(C)C3)CC2)CC1 ZINC000617046234 449443473 /nfs/dbraw/zinc/44/34/73/449443473.db2.gz GOAJLGOSSDVRTC-MRXNPFEDSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1csc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000607232480 449588607 /nfs/dbraw/zinc/58/86/07/449588607.db2.gz BMJXMJNWWOPHSB-UHFFFAOYSA-N 1 3 327.498 1.129 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cccc1F ZINC000617506283 449652207 /nfs/dbraw/zinc/65/22/07/449652207.db2.gz ISSOUFHVHZIJKB-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1c(F)cccc1F ZINC000617506283 449652209 /nfs/dbraw/zinc/65/22/09/449652209.db2.gz ISSOUFHVHZIJKB-ZDUSSCGKSA-N 1 3 327.419 1.896 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000617506713 449656521 /nfs/dbraw/zinc/65/65/21/449656521.db2.gz WWNDJKKVSPJPHC-MAUKXSAKSA-N 1 3 333.476 1.689 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000617506713 449656526 /nfs/dbraw/zinc/65/65/26/449656526.db2.gz WWNDJKKVSPJPHC-MAUKXSAKSA-N 1 3 333.476 1.689 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(CN(C)C)nc1 ZINC000617507895 449658843 /nfs/dbraw/zinc/65/88/43/449658843.db2.gz NVPPDXIGCKIJJD-HNNXBMFYSA-N 1 3 335.496 1.145 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617502261 449644062 /nfs/dbraw/zinc/64/40/62/449644062.db2.gz IZLOQJIQOLKRJL-INIZCTEOSA-N 1 3 347.503 1.942 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000617502261 449644066 /nfs/dbraw/zinc/64/40/66/449644066.db2.gz IZLOQJIQOLKRJL-INIZCTEOSA-N 1 3 347.503 1.942 20 0 EDADHO COC(=O)c1cc(CNCC2CC[NH+](Cc3ccncc3)CC2)on1 ZINC000602707058 449761894 /nfs/dbraw/zinc/76/18/94/449761894.db2.gz IYBVKXANPWMKAC-UHFFFAOYSA-N 1 3 344.415 1.858 20 0 EDADHO COC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000597187606 449863348 /nfs/dbraw/zinc/86/33/48/449863348.db2.gz RNXGNBVOJKUOIU-KRWDZBQOSA-N 1 3 343.427 1.658 20 0 EDADHO COC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000597187606 449863352 /nfs/dbraw/zinc/86/33/52/449863352.db2.gz RNXGNBVOJKUOIU-KRWDZBQOSA-N 1 3 343.427 1.658 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)N2CCCC2)cc1 ZINC000612861656 449914259 /nfs/dbraw/zinc/91/42/59/449914259.db2.gz AAVVIYDPCFTRCR-HKUYNNGSSA-N 1 3 346.475 1.883 20 0 EDADHO CN1CCC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000618554280 450241708 /nfs/dbraw/zinc/24/17/08/450241708.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 1 3 330.476 1.828 20 0 EDADHO CN1CCC[C@H](NC(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000618554280 450241715 /nfs/dbraw/zinc/24/17/15/450241715.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 1 3 330.476 1.828 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CCCC[NH+](C)C ZINC000620916205 450561150 /nfs/dbraw/zinc/56/11/50/450561150.db2.gz SMWDRLCHFSOYBE-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CCCCCC1 ZINC000620970304 450567084 /nfs/dbraw/zinc/56/70/84/450567084.db2.gz OHSZGTJNSUSFSQ-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO CN(C)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000633073422 450659587 /nfs/dbraw/zinc/65/95/87/450659587.db2.gz VRUGHRSIUSPKJH-KRWDZBQOSA-N 1 3 347.438 1.617 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCCO1 ZINC000623999816 450665392 /nfs/dbraw/zinc/66/53/92/450665392.db2.gz DVEWHUTYJOJMFM-DLBZAZTESA-N 1 3 325.497 1.330 20 0 EDADHO CCO[C@H](CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542228 450727642 /nfs/dbraw/zinc/72/76/42/450727642.db2.gz CFGZJWGWYXFBTL-BRWVUGGUSA-N 1 3 336.480 1.022 20 0 EDADHO CNS(=O)(=O)CCC[NH2+]C1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000631711838 450727579 /nfs/dbraw/zinc/72/75/79/450727579.db2.gz SYLVJUJDMHZLRW-GOEBONIOSA-N 1 3 331.526 1.558 20 0 EDADHO FC(F)C(F)(F)COCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591830 450752846 /nfs/dbraw/zinc/75/28/46/450752846.db2.gz PFDQVVUVUSDQNZ-CYBMUJFWSA-N 1 3 342.377 1.994 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756270 /nfs/dbraw/zinc/75/62/70/450756270.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756274 /nfs/dbraw/zinc/75/62/74/450756274.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 1 3 343.515 1.943 20 0 EDADHO O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756279 /nfs/dbraw/zinc/75/62/79/450756279.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 1 3 343.515 1.943 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)N(C)C)cc2)CC1 ZINC000635313237 450837574 /nfs/dbraw/zinc/83/75/74/450837574.db2.gz SPVRLLQSWQTCBL-MRXNPFEDSA-N 1 3 332.492 1.390 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000631976713 450935185 /nfs/dbraw/zinc/93/51/85/450935185.db2.gz DWPAFDAAPHOVNW-OAHLLOKOSA-N 1 3 339.505 1.805 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000626922486 451005949 /nfs/dbraw/zinc/00/59/49/451005949.db2.gz YVSNRENSYWGYLV-CQSZACIVSA-N 1 3 340.493 1.502 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635500679 450995692 /nfs/dbraw/zinc/99/56/92/450995692.db2.gz KMKWXKPLGVEPMV-QGZVFWFLSA-N 1 3 333.476 1.628 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635500679 450995695 /nfs/dbraw/zinc/99/56/95/450995695.db2.gz KMKWXKPLGVEPMV-QGZVFWFLSA-N 1 3 333.476 1.628 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626992732 451058885 /nfs/dbraw/zinc/05/88/85/451058885.db2.gz CTMCQXFBRBWLFQ-GOEBONIOSA-N 1 3 326.485 1.316 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000627006074 451070157 /nfs/dbraw/zinc/07/01/57/451070157.db2.gz PLRWOOHHDMTNCV-HOTGVXAUSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CCN2C2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635749516 451217295 /nfs/dbraw/zinc/21/72/95/451217295.db2.gz LGQVGXFKONPZNB-NEWSRXKRSA-N 1 3 348.535 1.488 20 0 EDADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094300 451259335 /nfs/dbraw/zinc/25/93/35/451259335.db2.gz ZNMAHDAQLITBBX-HIFRSBDPSA-N 1 3 332.448 1.320 20 0 EDADHO CCN[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094300 451259338 /nfs/dbraw/zinc/25/93/38/451259338.db2.gz ZNMAHDAQLITBBX-HIFRSBDPSA-N 1 3 332.448 1.320 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638101022 451266569 /nfs/dbraw/zinc/26/65/69/451266569.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 1 3 332.492 1.436 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638101022 451266575 /nfs/dbraw/zinc/26/65/75/451266575.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 1 3 332.492 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103069 451270734 /nfs/dbraw/zinc/27/07/34/451270734.db2.gz YZCIZHDIGLDKBW-OALUTQOASA-N 1 3 344.503 1.533 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000638113528 451281262 /nfs/dbraw/zinc/28/12/62/451281262.db2.gz OZMDIGGULSUEPE-QGZVFWFLSA-N 1 3 329.444 1.825 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000638125689 451295825 /nfs/dbraw/zinc/29/58/25/451295825.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 1 3 346.519 1.779 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000638125689 451295832 /nfs/dbraw/zinc/29/58/32/451295832.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 1 3 346.519 1.779 20 0 EDADHO COC[C@]1(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127540 451298957 /nfs/dbraw/zinc/29/89/57/451298957.db2.gz CNXIKYBOQZYNKY-KPFFTGBYSA-N 1 3 345.487 1.924 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200083 451351088 /nfs/dbraw/zinc/35/10/88/451351088.db2.gz NTWGPRSTXLQWOB-KBPBESRZSA-N 1 3 345.447 1.303 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200084 451351656 /nfs/dbraw/zinc/35/16/56/451351656.db2.gz NTWGPRSTXLQWOB-KGLIPLIRSA-N 1 3 345.447 1.303 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC000636756419 451478597 /nfs/dbraw/zinc/47/85/97/451478597.db2.gz VMMHKNXROOGOKI-CQSZACIVSA-N 1 3 334.468 1.613 20 0 EDADHO CN1CCC(n2cc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC000636756419 451478604 /nfs/dbraw/zinc/47/86/04/451478604.db2.gz VMMHKNXROOGOKI-CQSZACIVSA-N 1 3 334.468 1.613 20 0 EDADHO O[C@]1(C[NH2+][C@@H]2CCN(CC3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000634704984 451481351 /nfs/dbraw/zinc/48/13/51/451481351.db2.gz SQAJAOJNBQLPDW-UXHICEINSA-N 1 3 329.488 1.697 20 0 EDADHO C[C@H](NC[C@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710998 451490149 /nfs/dbraw/zinc/49/01/49/451490149.db2.gz HSNBPNUOEDSZMY-XYJFISCASA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H](NC[C@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710998 451490152 /nfs/dbraw/zinc/49/01/52/451490152.db2.gz HSNBPNUOEDSZMY-XYJFISCASA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000634710998 451490155 /nfs/dbraw/zinc/49/01/55/451490155.db2.gz HSNBPNUOEDSZMY-XYJFISCASA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638419334 451504453 /nfs/dbraw/zinc/50/44/53/451504453.db2.gz HADBNYWEABTUDY-IEBWSBKVSA-N 1 3 346.519 1.682 20 0 EDADHO COCC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCC1 ZINC000638463072 451528597 /nfs/dbraw/zinc/52/85/97/451528597.db2.gz QXQFHPKFJBVPIG-UHFFFAOYSA-N 1 3 332.492 2.000 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526774 451558602 /nfs/dbraw/zinc/55/86/02/451558602.db2.gz PRLZTWHIXYWLQH-MRXNPFEDSA-N 1 3 348.491 1.941 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000638560727 451576960 /nfs/dbraw/zinc/57/69/60/451576960.db2.gz XJXFVXXKQPKLAD-YUELXQCFSA-N 1 3 341.377 1.859 20 0 EDADHO CC[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N(CC)CC ZINC000638783474 451690222 /nfs/dbraw/zinc/69/02/22/451690222.db2.gz MCKRYAGCTLMRHG-IAGOWNOFSA-N 1 3 325.497 1.724 20 0 EDADHO NC[C@H](C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1 ZINC000638882731 451718632 /nfs/dbraw/zinc/71/86/32/451718632.db2.gz ZWYCBMITVMDLAP-ROUUACIJSA-N 1 3 329.419 1.944 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831144 451704836 /nfs/dbraw/zinc/70/48/36/451704836.db2.gz IVINNRPGFWOSOQ-KGLIPLIRSA-N 1 3 347.381 1.788 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638834000 451705694 /nfs/dbraw/zinc/70/56/94/451705694.db2.gz BYNFPGFUVQECDP-NXHRZFHOSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638834000 451705699 /nfs/dbraw/zinc/70/56/99/451705699.db2.gz BYNFPGFUVQECDP-NXHRZFHOSA-N 1 3 331.460 1.249 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000638938955 451740426 /nfs/dbraw/zinc/74/04/26/451740426.db2.gz ZRBKZLPYZCYXJD-DOTOQJQBSA-N 1 3 330.476 1.779 20 0 EDADHO CC(C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)N1CCCCC1 ZINC000638985726 451746383 /nfs/dbraw/zinc/74/63/83/451746383.db2.gz FISDDVKPCMHQJQ-GOSISDBHSA-N 1 3 345.491 1.940 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006795 451751837 /nfs/dbraw/zinc/75/18/37/451751837.db2.gz ZCVYVPWAFCPKRP-SJORKVTESA-N 1 3 333.501 1.781 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000637264539 451773831 /nfs/dbraw/zinc/77/38/31/451773831.db2.gz KXMDDZKCJDJGIV-VBQJREDUSA-N 1 3 326.485 1.125 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000637264539 451773833 /nfs/dbraw/zinc/77/38/33/451773833.db2.gz KXMDDZKCJDJGIV-VBQJREDUSA-N 1 3 326.485 1.125 20 0 EDADHO Cn1ccnc1[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000639261152 451800487 /nfs/dbraw/zinc/80/04/87/451800487.db2.gz LLAZBWLXPSXASU-QGZVFWFLSA-N 1 3 347.507 1.257 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310946 451820752 /nfs/dbraw/zinc/82/07/52/451820752.db2.gz ZNSIOOIUZREJRT-GBESFXJTSA-N 1 3 334.460 1.394 20 0 EDADHO CN(CCC(=O)N1CCOC2(CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000649130641 451864223 /nfs/dbraw/zinc/86/42/23/451864223.db2.gz PEQXWXPLYMYGGX-UHFFFAOYSA-N 1 3 332.448 1.231 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000642439983 451879923 /nfs/dbraw/zinc/87/99/23/451879923.db2.gz UOEBRCCEWYDDLJ-CVEARBPZSA-N 1 3 338.496 1.001 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2NCC2(C)C)c1 ZINC000649289932 451965996 /nfs/dbraw/zinc/96/59/96/451965996.db2.gz GBGWHXXETIJFGQ-INIZCTEOSA-N 1 3 346.475 1.695 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)CN2CCCCC2)cnn1C ZINC000649293850 451969181 /nfs/dbraw/zinc/96/91/81/451969181.db2.gz LTKXOLCRVOMZQV-XYPHTWIQSA-N 1 3 333.480 1.022 20 0 EDADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000649305685 451981498 /nfs/dbraw/zinc/98/14/98/451981498.db2.gz ZNXDLCSZCURTRX-KZNAEPCWSA-N 1 3 331.460 1.534 20 0 EDADHO CC1(OCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CNC1 ZINC000649310564 451988518 /nfs/dbraw/zinc/98/85/18/451988518.db2.gz URRNKPNGYDIDLF-KRWDZBQOSA-N 1 3 331.460 1.046 20 0 EDADHO CC1(OCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CNC1 ZINC000649310564 451988524 /nfs/dbraw/zinc/98/85/24/451988524.db2.gz URRNKPNGYDIDLF-KRWDZBQOSA-N 1 3 331.460 1.046 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)CCN1Cc1ccccc1 ZINC000649321955 452002476 /nfs/dbraw/zinc/00/24/76/452002476.db2.gz ZJCLKTNNSHTKDR-NXHRZFHOSA-N 1 3 331.460 1.392 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CCN(C)C1 ZINC000649345411 452025707 /nfs/dbraw/zinc/02/57/07/452025707.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 1 3 344.503 1.390 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CCN(C)C1 ZINC000649345411 452025709 /nfs/dbraw/zinc/02/57/09/452025709.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 1 3 344.503 1.390 20 0 EDADHO CC(C)([NH3+])CCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000649351201 452036179 /nfs/dbraw/zinc/03/61/79/452036179.db2.gz ZOHBDONYARQJMF-UHFFFAOYSA-N 1 3 346.519 1.828 20 0 EDADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606639 452038574 /nfs/dbraw/zinc/03/85/74/452038574.db2.gz VYUHORIHTRDYPV-KXBFYZLASA-N 1 3 346.475 1.770 20 0 EDADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000653606639 452038578 /nfs/dbraw/zinc/03/85/78/452038578.db2.gz VYUHORIHTRDYPV-KXBFYZLASA-N 1 3 346.475 1.770 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000649366049 452044822 /nfs/dbraw/zinc/04/48/22/452044822.db2.gz OYAZZEQHILLITR-GOSISDBHSA-N 1 3 344.503 1.847 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000649374315 452049360 /nfs/dbraw/zinc/04/93/60/452049360.db2.gz JZQRVFQUDROAFK-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO CCCN(C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094364 452057218 /nfs/dbraw/zinc/05/72/18/452057218.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CCCN(C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000647094364 452057224 /nfs/dbraw/zinc/05/72/24/452057224.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)CCC[NH3+] ZINC000649410214 452073541 /nfs/dbraw/zinc/07/35/41/452073541.db2.gz ZWAQLUBNGTWLTP-MRXNPFEDSA-N 1 3 332.492 1.436 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417925 452079716 /nfs/dbraw/zinc/07/97/16/452079716.db2.gz OKPKSSZBEHSIJB-RCCFBDPRSA-N 1 3 336.524 1.251 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833333 452106574 /nfs/dbraw/zinc/10/65/74/452106574.db2.gz RZEGMGHBCXCMEE-MSOLQXFVSA-N 1 3 326.444 1.262 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@](C)(C[NH3+])C3CC3)ccc2[nH]c1=O ZINC000637841957 452111759 /nfs/dbraw/zinc/11/17/59/452111759.db2.gz NQZFVRQFLFEHLR-SFHVURJKSA-N 1 3 345.447 1.161 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939630 452180655 /nfs/dbraw/zinc/18/06/55/452180655.db2.gz LJEFIQUTMKGQNY-CALCHBBNSA-N 1 3 330.476 1.572 20 0 EDADHO CN(c1ccccc1C[NH2+]CC[C@@]1(O)CCOC1)C1CCN(C)CC1 ZINC000651943148 452183092 /nfs/dbraw/zinc/18/30/92/452183092.db2.gz HIFDEIRVZLLTAL-HXUWFJFHSA-N 1 3 347.503 1.848 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCSCC[C@H]1C ZINC000665761769 452334991 /nfs/dbraw/zinc/33/49/91/452334991.db2.gz PKPMCHQQJCYXEC-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCSCC[C@H]1C ZINC000665761769 452334995 /nfs/dbraw/zinc/33/49/95/452334995.db2.gz PKPMCHQQJCYXEC-LSDHHAIUSA-N 1 3 330.542 1.795 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)CCCO ZINC000665761727 452335768 /nfs/dbraw/zinc/33/57/68/452335768.db2.gz OBIHQPQOMUUNPH-FUHWJXTLSA-N 1 3 342.528 1.595 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@]1(C)CCCO ZINC000665761727 452335778 /nfs/dbraw/zinc/33/57/78/452335778.db2.gz OBIHQPQOMUUNPH-FUHWJXTLSA-N 1 3 342.528 1.595 20 0 EDADHO Cc1c(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cnn1C ZINC000665762669 452338757 /nfs/dbraw/zinc/33/87/57/452338757.db2.gz MENGNEZSOJXTLU-AWEZNQCLSA-N 1 3 338.500 1.142 20 0 EDADHO Cc1c(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cnn1C ZINC000665762669 452338765 /nfs/dbraw/zinc/33/87/65/452338765.db2.gz MENGNEZSOJXTLU-AWEZNQCLSA-N 1 3 338.500 1.142 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000638062990 452359081 /nfs/dbraw/zinc/35/90/81/452359081.db2.gz KWOSWTSCSKVRJC-FUHWJXTLSA-N 1 3 335.448 1.010 20 0 EDADHO [NH3+]C[C@]1(C(=O)NCC2(N3CCSCC3)CCCC2)CCCOC1 ZINC000638071023 452377430 /nfs/dbraw/zinc/37/74/30/452377430.db2.gz DLYWSIAJWIIRKA-MRXNPFEDSA-N 1 3 341.521 1.220 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659537634 452398339 /nfs/dbraw/zinc/39/83/39/452398339.db2.gz LVHOMEOQLRRBJF-OAHLLOKOSA-N 1 3 333.480 1.591 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659542800 452401384 /nfs/dbraw/zinc/40/13/84/452401384.db2.gz NTERBXDZEXSMAL-MAUKXSAKSA-N 1 3 345.491 1.733 20 0 EDADHO CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCN1 ZINC000659587999 452443519 /nfs/dbraw/zinc/44/35/19/452443519.db2.gz BMGPEDRMVQMEJQ-HZPDHXFCSA-N 1 3 334.439 1.665 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507473 452475299 /nfs/dbraw/zinc/47/52/99/452475299.db2.gz ODQLIARVPKNYMY-GOSISDBHSA-N 1 3 344.503 1.438 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645512471 452480428 /nfs/dbraw/zinc/48/04/28/452480428.db2.gz HVOQVZKHGAQCAJ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645512471 452480436 /nfs/dbraw/zinc/48/04/36/452480436.db2.gz HVOQVZKHGAQCAJ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000659633019 452497957 /nfs/dbraw/zinc/49/79/57/452497957.db2.gz AHWHXYWAYGWYEW-APWZRJJASA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CCO2 ZINC000645545469 452513099 /nfs/dbraw/zinc/51/30/99/452513099.db2.gz SNSZJSBVSNZQDK-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)CCO2 ZINC000645545469 452513110 /nfs/dbraw/zinc/51/31/10/452513110.db2.gz SNSZJSBVSNZQDK-INIZCTEOSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000655775999 452571226 /nfs/dbraw/zinc/57/12/26/452571226.db2.gz GDUZWSHKNNMPMM-JKSUJKDBSA-N 1 3 327.538 1.657 20 0 EDADHO CC(C)([NH3+])CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000645597525 452580593 /nfs/dbraw/zinc/58/05/93/452580593.db2.gz HXUXXOXXYAOMEU-UHFFFAOYSA-N 1 3 332.492 1.832 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CN(C[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884401 452622725 /nfs/dbraw/zinc/62/27/25/452622725.db2.gz LSVBLLIXKLKWDV-SJLPKXTDSA-N 1 3 349.475 1.705 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909530 452636235 /nfs/dbraw/zinc/63/62/35/452636235.db2.gz LRQUHZYOBKJKAP-HNNXBMFYSA-N 1 3 348.491 1.693 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc2c(c1)CCO2 ZINC000663909530 452636245 /nfs/dbraw/zinc/63/62/45/452636245.db2.gz LRQUHZYOBKJKAP-HNNXBMFYSA-N 1 3 348.491 1.693 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@@H](CN)C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000655911068 452668134 /nfs/dbraw/zinc/66/81/34/452668134.db2.gz ADPWPUUUWFQUBZ-OLZOCXBDSA-N 1 3 338.418 1.932 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(F)(F)F ZINC000655912294 452669299 /nfs/dbraw/zinc/66/92/99/452669299.db2.gz MSEKVIVEUWQTTE-CQSZACIVSA-N 1 3 344.381 1.624 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(F)(F)F ZINC000655916623 452677525 /nfs/dbraw/zinc/67/75/25/452677525.db2.gz FHKSIQFOFNMTOT-KGLIPLIRSA-N 1 3 344.381 1.840 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000655921272 452684714 /nfs/dbraw/zinc/68/47/14/452684714.db2.gz NEIPATVCWVQPAG-BNOWGMLFSA-N 1 3 344.381 1.838 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930743 452700466 /nfs/dbraw/zinc/70/04/66/452700466.db2.gz UAUIHQZKXZEFMM-JBLDHEPKSA-N 1 3 336.358 1.898 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770345 /nfs/dbraw/zinc/77/03/45/452770345.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770351 /nfs/dbraw/zinc/77/03/51/452770351.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000652631262 452788296 /nfs/dbraw/zinc/78/82/96/452788296.db2.gz FQGVCDISBCWQHD-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cn1 ZINC000652631262 452788303 /nfs/dbraw/zinc/78/83/03/452788303.db2.gz FQGVCDISBCWQHD-KRWDZBQOSA-N 1 3 334.468 1.394 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncc2cc(Cl)ccn21 ZINC000654732562 452855424 /nfs/dbraw/zinc/85/54/24/452855424.db2.gz BGDCZOHVJNWBEV-UHFFFAOYSA-N 1 3 337.855 1.553 20 0 EDADHO Cn1nnc2cc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc21 ZINC000650723719 452952534 /nfs/dbraw/zinc/95/25/34/452952534.db2.gz SHMMCHXANHADCN-QGTPRVQTSA-N 1 3 329.448 1.829 20 0 EDADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201752 452956315 /nfs/dbraw/zinc/95/63/15/452956315.db2.gz YHYCEFGZVWSDPC-OOOWVJFSSA-N 1 3 325.497 1.231 20 0 EDADHO c1ccc(-n2nnnc2CCN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291742 453013960 /nfs/dbraw/zinc/01/39/60/453013960.db2.gz JOXGGBFIKONXQD-QGZVFWFLSA-N 1 3 340.475 1.916 20 0 EDADHO C[C@@H]1CCCN(CCNS(=O)(=O)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662311278 453030679 /nfs/dbraw/zinc/03/06/79/453030679.db2.gz AOXIMMSGUIQWKC-NVXWUHKLSA-N 1 3 339.505 1.804 20 0 EDADHO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(CN)c2)([NH+](C)C)C1 ZINC000666690757 453067603 /nfs/dbraw/zinc/06/76/03/453067603.db2.gz FYWJNWLVTRVYMQ-LIRRHRJNSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000666753420 453117958 /nfs/dbraw/zinc/11/79/58/453117958.db2.gz VZVMOLJWFZODSY-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000655023099 453145081 /nfs/dbraw/zinc/14/50/81/453145081.db2.gz RXJJYMLFVLOILH-MAUKXSAKSA-N 1 3 337.508 1.460 20 0 EDADHO COc1ccc(CN(C)C)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000666785495 453146403 /nfs/dbraw/zinc/14/64/03/453146403.db2.gz BGIUHCIJPKUDNH-HOCLYGCPSA-N 1 3 332.448 1.973 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000662452011 453158877 /nfs/dbraw/zinc/15/88/77/453158877.db2.gz OCODNFSLKVBPBE-HNNXBMFYSA-N 1 3 340.512 1.056 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4CN(C)C[C@H]43)CC2)CC1 ZINC000655105214 453223401 /nfs/dbraw/zinc/22/34/01/453223401.db2.gz UNPUWOMFYWASFF-IEBWSBKVSA-N 1 3 348.535 1.345 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000664621961 453257362 /nfs/dbraw/zinc/25/73/62/453257362.db2.gz NTNFAQMIGBKQEF-JKSUJKDBSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCCO1 ZINC000664621961 453257369 /nfs/dbraw/zinc/25/73/69/453257369.db2.gz NTNFAQMIGBKQEF-JKSUJKDBSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646262353 453268683 /nfs/dbraw/zinc/26/86/83/453268683.db2.gz JCDQADKNYIKPIL-YOEHRIQHSA-N 1 3 332.448 1.102 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150673 453338466 /nfs/dbraw/zinc/33/84/66/453338466.db2.gz JZHLBPQFEAJLOL-HUUCEWRRSA-N 1 3 326.872 1.338 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000662638489 453353468 /nfs/dbraw/zinc/35/34/68/453353468.db2.gz RLCBHMZZJGRDDR-MSOLQXFVSA-N 1 3 330.476 1.798 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000662661889 453376232 /nfs/dbraw/zinc/37/62/32/453376232.db2.gz WMDWWXGMMYFNON-FGTMMUONSA-N 1 3 347.459 1.312 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000646444114 453389131 /nfs/dbraw/zinc/38/91/31/453389131.db2.gz KJQIEDRJFDCIFX-QZTJIDSGSA-N 1 3 331.460 1.683 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000646444114 453389135 /nfs/dbraw/zinc/38/91/35/453389135.db2.gz KJQIEDRJFDCIFX-QZTJIDSGSA-N 1 3 331.460 1.683 20 0 EDADHO CCN1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662673960 453390928 /nfs/dbraw/zinc/39/09/28/453390928.db2.gz UELDOEVQDPUSDV-HNNXBMFYSA-N 1 3 334.468 1.149 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662682539 453402401 /nfs/dbraw/zinc/40/24/01/453402401.db2.gz JFHCWKWFDGZZBR-MRXNPFEDSA-N 1 3 342.447 1.907 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648929672 453405896 /nfs/dbraw/zinc/40/58/96/453405896.db2.gz WWMZIQLUZZWQIQ-UKRRQHHQSA-N 1 3 335.448 1.914 20 0 EDADHO COc1cc(OCCN(C)C)ccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648929672 453405905 /nfs/dbraw/zinc/40/59/05/453405905.db2.gz WWMZIQLUZZWQIQ-UKRRQHHQSA-N 1 3 335.448 1.914 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407097 /nfs/dbraw/zinc/40/70/97/453407097.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO CN1CCN(CC2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407104 /nfs/dbraw/zinc/40/71/04/453407104.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000667138257 453430343 /nfs/dbraw/zinc/43/03/43/453430343.db2.gz ZJNCWPRODMWHGE-JKSUJKDBSA-N 1 3 348.495 1.688 20 0 EDADHO CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000662720037 453443443 /nfs/dbraw/zinc/44/34/43/453443443.db2.gz PGZZGEOAIHPRFN-MSOLQXFVSA-N 1 3 331.460 1.473 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000662757701 453495881 /nfs/dbraw/zinc/49/58/81/453495881.db2.gz LPYKAAKVVXEHBY-BZSNNMDCSA-N 1 3 330.476 1.219 20 0 EDADHO [NH3+]C1(CC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000662757750 453496908 /nfs/dbraw/zinc/49/69/08/453496908.db2.gz MPQOKDZHKIODFQ-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662784903 453519631 /nfs/dbraw/zinc/51/96/31/453519631.db2.gz FORGOKWJKSPISP-HNNXBMFYSA-N 1 3 336.484 1.253 20 0 EDADHO Cc1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)n(C2CCN(C)CC2)n1 ZINC000659000534 453574742 /nfs/dbraw/zinc/57/47/42/453574742.db2.gz UCSIFCCTINEJQY-OAHLLOKOSA-N 1 3 336.484 1.953 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CCN(C)CC2)cc1 ZINC000662869190 453580700 /nfs/dbraw/zinc/58/07/00/453580700.db2.gz XJXNCQUVXBFECC-OALUTQOASA-N 1 3 345.487 1.989 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662886973 453588430 /nfs/dbraw/zinc/58/84/30/453588430.db2.gz QNWWRCQONOENCR-CVEARBPZSA-N 1 3 348.495 1.443 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659033556 453590693 /nfs/dbraw/zinc/59/06/93/453590693.db2.gz JNWQSFVGDAJYQD-KRWDZBQOSA-N 1 3 341.415 1.398 20 0 EDADHO CN(C(=O)c1conc1C(C)(C)N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899137 453593798 /nfs/dbraw/zinc/59/37/98/453593798.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 1 3 349.479 1.109 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659100504 453632888 /nfs/dbraw/zinc/63/28/88/453632888.db2.gz BDJPPEQYFGLORT-AWEZNQCLSA-N 1 3 332.448 1.320 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710276 /nfs/dbraw/zinc/71/02/76/453710276.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710279 /nfs/dbraw/zinc/71/02/79/453710279.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 1 3 336.524 1.348 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCO1 ZINC000665551460 453743796 /nfs/dbraw/zinc/74/37/96/453743796.db2.gz HYEZSAQFUARWCD-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO C[NH+]1CCC(CNCc2cc3n(n2)CCC3)(N2CCCCC2)CC1 ZINC000657378368 453778251 /nfs/dbraw/zinc/77/82/51/453778251.db2.gz UVBABHMHZOVJNZ-UHFFFAOYSA-N 1 3 331.508 1.869 20 0 EDADHO C[NH2+]CCN(C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418079046 486824459 /nfs/dbraw/zinc/82/44/59/486824459.db2.gz XLVBFBRPXRMEDG-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667803803 486972269 /nfs/dbraw/zinc/97/22/69/486972269.db2.gz PBQVJPLSOWFKDM-ZDUSSCGKSA-N 1 3 331.464 1.921 20 0 EDADHO CN(C)CCn1cc(NC(=O)Nc2ccc(OCC[NH3+])cc2)cn1 ZINC000667810993 486976311 /nfs/dbraw/zinc/97/63/11/486976311.db2.gz WXVMOQKTCQKCCW-UHFFFAOYSA-N 1 3 332.408 1.426 20 0 EDADHO COC1CCN(CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000674326443 487237701 /nfs/dbraw/zinc/23/77/01/487237701.db2.gz BQRIDTLCELIHSY-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000674385403 487249475 /nfs/dbraw/zinc/24/94/75/487249475.db2.gz VWAILVVXSKPEAY-CVEARBPZSA-N 1 3 334.468 1.535 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC(F)(F)F)c1 ZINC000682492572 487375816 /nfs/dbraw/zinc/37/58/16/487375816.db2.gz ARIZUMKGZSNOSS-UHFFFAOYSA-N 1 3 335.374 1.011 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464137 /nfs/dbraw/zinc/46/41/37/487464137.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464139 /nfs/dbraw/zinc/46/41/39/487464139.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCCCOC1CCN(Cc2ccccc2)CC1 ZINC000669517766 485483395 /nfs/dbraw/zinc/48/33/95/485483395.db2.gz SCCVGLXUQFYGSP-INIZCTEOSA-N 1 3 348.491 1.704 20 0 EDADHO CN1CCN(CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1(C)C ZINC000669580074 485623995 /nfs/dbraw/zinc/62/39/95/485623995.db2.gz BQGZTQGBXVHVGC-UHFFFAOYSA-N 1 3 345.491 1.115 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000325338353 485698054 /nfs/dbraw/zinc/69/80/54/485698054.db2.gz JIYZKKRCMRENNG-UHFFFAOYSA-N 1 3 334.464 1.249 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000668665688 486016070 /nfs/dbraw/zinc/01/60/70/486016070.db2.gz LNQNSZGJRXDZCU-UAGQMJEPSA-N 1 3 332.448 1.019 20 0 EDADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000347694843 486025694 /nfs/dbraw/zinc/02/56/94/486025694.db2.gz YUWOFAUCSSISSY-KSZLIROESA-N 1 3 337.508 1.722 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389593 486025909 /nfs/dbraw/zinc/02/59/09/486025909.db2.gz BFYWOLAUGNDIMN-AWEZNQCLSA-N 1 3 326.510 1.338 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607409772 486054998 /nfs/dbraw/zinc/05/49/98/486054998.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 1 3 346.475 1.017 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607409772 486055004 /nfs/dbraw/zinc/05/50/04/486055004.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 1 3 346.475 1.017 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000173919071 534000499 /nfs/dbraw/zinc/00/04/99/534000499.db2.gz QURXGRLKDZWAAF-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccn(CCN(C)C)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000173919071 534000504 /nfs/dbraw/zinc/00/05/04/534000504.db2.gz QURXGRLKDZWAAF-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733489 528158607 /nfs/dbraw/zinc/15/86/07/528158607.db2.gz SDWULZHADOHLQF-LPHOPBHVSA-N 1 3 333.476 1.897 20 0 EDADHO CCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000262620089 535348896 /nfs/dbraw/zinc/34/88/96/535348896.db2.gz DRYRHSUTXXWMQS-MRXNPFEDSA-N 1 3 334.464 1.824 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[NH+](CC)CC)cc2)CC1 ZINC000074164407 535538732 /nfs/dbraw/zinc/53/87/32/535538732.db2.gz GPFAGJVHFHSNSA-UHFFFAOYSA-N 1 3 332.492 1.900 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1C ZINC000339655414 535595805 /nfs/dbraw/zinc/59/58/05/535595805.db2.gz OUTOICGVVDTFJE-KRWDZBQOSA-N 1 3 335.496 1.146 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cnn(C)c1C ZINC000339655414 535595808 /nfs/dbraw/zinc/59/58/08/535595808.db2.gz OUTOICGVVDTFJE-KRWDZBQOSA-N 1 3 335.496 1.146 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000345836544 535753484 /nfs/dbraw/zinc/75/34/84/535753484.db2.gz CWOLUZOPCLPSFM-MSOLQXFVSA-N 1 3 344.503 1.833 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000237186984 535915327 /nfs/dbraw/zinc/91/53/27/535915327.db2.gz SRVPALHFVQKYKX-SFHVURJKSA-N 1 3 341.455 1.813 20 0 EDADHO CN1CCN(c2ncc(CNCCCCC[NH+]3CCCC3)cn2)CC1 ZINC000339498287 536426583 /nfs/dbraw/zinc/42/65/83/536426583.db2.gz KHNHYGGORXZLEE-UHFFFAOYSA-N 1 3 346.523 1.584 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(F)F ZINC000345703560 536449110 /nfs/dbraw/zinc/44/91/10/536449110.db2.gz DFWAMOMSAOXDIL-HUUCEWRRSA-N 1 3 325.403 1.949 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(F)F ZINC000345703560 536449112 /nfs/dbraw/zinc/44/91/12/536449112.db2.gz DFWAMOMSAOXDIL-HUUCEWRRSA-N 1 3 325.403 1.949 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)N(C)C1 ZINC000346628546 536777585 /nfs/dbraw/zinc/77/75/85/536777585.db2.gz ZQDRGXBPOSFPMD-HOTGVXAUSA-N 1 3 340.512 1.610 20 0 EDADHO Cc1nccn1CCCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000727646930 578536868 /nfs/dbraw/zinc/53/68/68/578536868.db2.gz LRDFVLJEYQWGIU-UHFFFAOYSA-N 1 3 342.447 1.757 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCN1CCOC ZINC000727703376 578537918 /nfs/dbraw/zinc/53/79/18/578537918.db2.gz OWANHQSHRXQYSZ-HUUCEWRRSA-N 1 3 328.526 1.046 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCCN1CCOC ZINC000727703376 578537919 /nfs/dbraw/zinc/53/79/19/578537919.db2.gz OWANHQSHRXQYSZ-HUUCEWRRSA-N 1 3 328.526 1.046 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734264515 578805387 /nfs/dbraw/zinc/80/53/87/578805387.db2.gz DISVQTGLZYDLJJ-DOTOQJQBSA-N 1 3 340.512 1.659 20 0 EDADHO C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736769920 579018868 /nfs/dbraw/zinc/01/88/68/579018868.db2.gz XFQHFDGCHWYEAT-UHFFFAOYSA-N 1 3 330.436 1.409 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC3(CNC(=O)C3)CC2)cc1 ZINC000769446541 580237299 /nfs/dbraw/zinc/23/72/99/580237299.db2.gz QUWSFMNEINHMTM-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](C)CCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000770430830 580260228 /nfs/dbraw/zinc/26/02/28/580260228.db2.gz DJAKHKJZJIUKOP-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)NCCN2CCCC(C)(C)C2)cn1 ZINC000770522378 580263483 /nfs/dbraw/zinc/26/34/83/580263483.db2.gz KAUAKVKBHFCAHN-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775372678 580389536 /nfs/dbraw/zinc/38/95/36/580389536.db2.gz GASZUYIGHSEWNY-OWCLPIDISA-N 1 3 329.579 1.983 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cn3ccnc3s2)CC1 ZINC000891832867 590642091 /nfs/dbraw/zinc/64/20/91/590642091.db2.gz DUIGPEJQGXMJKD-UHFFFAOYSA-N 1 3 335.477 1.286 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000891855342 590656355 /nfs/dbraw/zinc/65/63/55/590656355.db2.gz JYVRHMLBZYJWIM-BZSNNMDCSA-N 1 3 346.475 1.314 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000175 590737006 /nfs/dbraw/zinc/73/70/06/590737006.db2.gz PTEXCNDAZBOCPL-WMZOPIPTSA-N 1 3 330.476 1.868 20 0 EDADHO N[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000892030481 590761588 /nfs/dbraw/zinc/76/15/88/590761588.db2.gz KLXVBVIWMGXFRX-HOTGVXAUSA-N 1 3 332.448 1.144 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000892057174 590774138 /nfs/dbraw/zinc/77/41/38/590774138.db2.gz LJZQYAWOSFHMDA-HNNXBMFYSA-N 1 3 331.464 1.691 20 0 EDADHO CNc1cc(NCCCN2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000892161971 590833613 /nfs/dbraw/zinc/83/36/13/590833613.db2.gz UJXBKQFWZWDZIK-UHFFFAOYSA-N 1 3 327.436 1.538 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000892182110 590849430 /nfs/dbraw/zinc/84/94/30/590849430.db2.gz XIDVMLFCKOIWQS-BPQIPLTHSA-N 1 3 346.475 1.042 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000892182110 590849433 /nfs/dbraw/zinc/84/94/33/590849433.db2.gz XIDVMLFCKOIWQS-BPQIPLTHSA-N 1 3 346.475 1.042 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211136 590865884 /nfs/dbraw/zinc/86/58/84/590865884.db2.gz IBSLCLYUMDFKCK-SJLPKXTDSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211136 590865887 /nfs/dbraw/zinc/86/58/87/590865887.db2.gz IBSLCLYUMDFKCK-SJLPKXTDSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000892274534 590906157 /nfs/dbraw/zinc/90/61/57/590906157.db2.gz ORFQRIUKUWDCSZ-ZBFHGGJFSA-N 1 3 329.448 1.586 20 0 EDADHO C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)C(C)(C)C[NH+](C)C ZINC000893549691 590953758 /nfs/dbraw/zinc/95/37/58/590953758.db2.gz ZIAISUVKKMUTDC-ARFHVFGLSA-N 1 3 340.512 1.203 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000892530810 591060803 /nfs/dbraw/zinc/06/08/03/591060803.db2.gz YGNRQDKNWAEPCU-KSZLIROESA-N 1 3 328.460 1.430 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891366558 591063174 /nfs/dbraw/zinc/06/31/74/591063174.db2.gz WHLXTMHXEPUKLX-YOEHRIQHSA-N 1 3 328.460 1.484 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@H]1Cc2ccccc2CN1 ZINC000891366558 591063178 /nfs/dbraw/zinc/06/31/78/591063178.db2.gz WHLXTMHXEPUKLX-YOEHRIQHSA-N 1 3 328.460 1.484 20 0 EDADHO Cc1[nH]nc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C ZINC000893974955 591153053 /nfs/dbraw/zinc/15/30/53/591153053.db2.gz YVXLKYKTCIAHQG-UHFFFAOYSA-N 1 3 349.523 1.943 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000891639455 591162615 /nfs/dbraw/zinc/16/26/15/591162615.db2.gz RMBBGDNLGVGCSQ-XJKSGUPXSA-N 1 3 328.526 1.501 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000892797930 591181492 /nfs/dbraw/zinc/18/14/92/591181492.db2.gz UGOJPOCNUFBLFV-AYOQOUSVSA-N 1 3 342.487 1.969 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)C1 ZINC000892804167 591183582 /nfs/dbraw/zinc/18/35/82/591183582.db2.gz AHSFTBRCHTWRGM-MSOLQXFVSA-N 1 3 330.476 1.827 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892804297 591183595 /nfs/dbraw/zinc/18/35/95/591183595.db2.gz SFLPBPUDQRHZCN-QRVBRYPASA-N 1 3 342.487 1.827 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4CN3)CC[C@@H]21 ZINC000892804297 591183597 /nfs/dbraw/zinc/18/35/97/591183597.db2.gz SFLPBPUDQRHZCN-QRVBRYPASA-N 1 3 342.487 1.827 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CCN(C)CC1 ZINC000894077997 591188133 /nfs/dbraw/zinc/18/81/33/591188133.db2.gz YKXCMLOIBIRURW-RDTXWAMCSA-N 1 3 343.475 1.726 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CCN(C)CC1 ZINC000894077997 591188135 /nfs/dbraw/zinc/18/81/35/591188135.db2.gz YKXCMLOIBIRURW-RDTXWAMCSA-N 1 3 343.475 1.726 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892815006 591190581 /nfs/dbraw/zinc/19/05/81/591190581.db2.gz XTUAMTHAMXZNKH-SFHVURJKSA-N 1 3 330.476 1.684 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253072 591248860 /nfs/dbraw/zinc/24/88/60/591248860.db2.gz FTKGOAPYTALABG-HUUCEWRRSA-N 1 3 329.460 1.236 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692382 591250492 /nfs/dbraw/zinc/25/04/92/591250492.db2.gz QPIPFKJCIMWLRY-DLBZAZTESA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@H+](CC1CCN(C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692382 591250494 /nfs/dbraw/zinc/25/04/94/591250494.db2.gz QPIPFKJCIMWLRY-DLBZAZTESA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@@H+](CC1CCN(C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895692382 591250496 /nfs/dbraw/zinc/25/04/96/591250496.db2.gz QPIPFKJCIMWLRY-DLBZAZTESA-N 1 3 344.471 1.910 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000895781446 591273888 /nfs/dbraw/zinc/27/38/88/591273888.db2.gz TYULQLNTFUUJHM-GPMSIDNRSA-N 1 3 349.519 1.961 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)[C@@H]1c1ccccc1 ZINC000897765288 591648700 /nfs/dbraw/zinc/64/87/00/591648700.db2.gz WAMOJWLIZXJOIT-SQNIBIBYSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)[C@@H]1c1ccccc1 ZINC000897765288 591648702 /nfs/dbraw/zinc/64/87/02/591648702.db2.gz WAMOJWLIZXJOIT-SQNIBIBYSA-N 1 3 331.460 1.252 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000896920516 591681507 /nfs/dbraw/zinc/68/15/07/591681507.db2.gz JCGMDJYPAYWSFZ-INIZCTEOSA-N 1 3 326.481 1.540 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000900198206 591937392 /nfs/dbraw/zinc/93/73/92/591937392.db2.gz ULFLXQVSMRRZRC-AEFFLSMTSA-N 1 3 325.497 1.460 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)C1CN(C2CCOCC2)C1)C1CCCCC1 ZINC000900198385 591938177 /nfs/dbraw/zinc/93/81/77/591938177.db2.gz VOZLRVFUYLZDRP-GOSISDBHSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940713 /nfs/dbraw/zinc/94/07/13/591940713.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940715 /nfs/dbraw/zinc/94/07/15/591940715.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO CN(CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)C1CCC1 ZINC000900642792 592072439 /nfs/dbraw/zinc/07/24/39/592072439.db2.gz HRROXIKIMCOPIU-UHFFFAOYSA-N 1 3 333.480 1.290 20 0 EDADHO CC[C@@H](C(=O)N[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900719195 592104341 /nfs/dbraw/zinc/10/43/41/592104341.db2.gz WBTASHNZNPXBHY-RLFYNMQTSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@@H](C(=O)NC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000900719195 592104344 /nfs/dbraw/zinc/10/43/44/592104344.db2.gz WBTASHNZNPXBHY-RLFYNMQTSA-N 1 3 342.528 1.314 20 0 EDADHO [NH3+]CC[C@H]1CCCCN1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452820 592173701 /nfs/dbraw/zinc/17/37/01/592173701.db2.gz RNZCANWZDOSAAM-OAHLLOKOSA-N 1 3 345.443 1.503 20 0 EDADHO CN(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)C1CCCCC1 ZINC000903510346 592190474 /nfs/dbraw/zinc/19/04/74/592190474.db2.gz HOPHIJTXOLMDSN-KDURUIRLSA-N 1 3 348.535 1.678 20 0 EDADHO CN(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)C1CCCCC1 ZINC000903510346 592190475 /nfs/dbraw/zinc/19/04/75/592190475.db2.gz HOPHIJTXOLMDSN-KDURUIRLSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906646379 592231551 /nfs/dbraw/zinc/23/15/51/592231551.db2.gz REBHWUQYLZOACO-HUUCEWRRSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCCC[C@H]1C ZINC000906646246 592231956 /nfs/dbraw/zinc/23/19/56/592231956.db2.gz PJIQKJXSGUQGKB-ZIAGYGMSSA-N 1 3 332.448 1.463 20 0 EDADHO CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651576 592234468 /nfs/dbraw/zinc/23/44/68/592234468.db2.gz SDHQWIBAIZKCCB-ZDUSSCGKSA-N 1 3 332.448 1.277 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNc1ccc([C@H]2CNCCO2)cc1 ZINC000904377076 592244770 /nfs/dbraw/zinc/24/47/70/592244770.db2.gz JBXAQQNKMKKNGQ-GOSISDBHSA-N 1 3 342.443 1.962 20 0 EDADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3CN)C2)C1 ZINC000906667573 592249060 /nfs/dbraw/zinc/24/90/60/592249060.db2.gz FPLOAUJLJHNOEJ-GOSISDBHSA-N 1 3 330.432 1.028 20 0 EDADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3CN)C2)C1 ZINC000906667573 592249064 /nfs/dbraw/zinc/24/90/64/592249064.db2.gz FPLOAUJLJHNOEJ-GOSISDBHSA-N 1 3 330.432 1.028 20 0 EDADHO COc1cc(CN2CC[C@H](CC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000904404825 592250167 /nfs/dbraw/zinc/25/01/67/592250167.db2.gz GAYCYUJCDJYECP-NSHDSACASA-N 1 3 341.839 1.383 20 0 EDADHO c1c(CNCc2ccncc2O[C@H]2CC[NH2+]C2)sc2c1CNCC2 ZINC000904450940 592263631 /nfs/dbraw/zinc/26/36/31/592263631.db2.gz VWCZETVRCOANCA-HNNXBMFYSA-N 1 3 344.484 1.819 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000904485029 592270922 /nfs/dbraw/zinc/27/09/22/592270922.db2.gz JKSFAQYJAPUPOF-OAHLLOKOSA-N 1 3 348.495 1.960 20 0 EDADHO CC1(C)CCN(CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000904512129 592274618 /nfs/dbraw/zinc/27/46/18/592274618.db2.gz UERJWFKZXKRIHE-AWEZNQCLSA-N 1 3 331.464 1.751 20 0 EDADHO CC1CCN(C(=O)C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722243 592282468 /nfs/dbraw/zinc/28/24/68/592282468.db2.gz JKBNRDGFBXOJSR-AZUAARDMSA-N 1 3 349.519 1.726 20 0 EDADHO C(OC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)[C@@H]1CCCO1 ZINC000903725830 592284919 /nfs/dbraw/zinc/28/49/19/592284919.db2.gz IBOXACKIMVWQKN-ZWKOTPCHSA-N 1 3 338.492 1.805 20 0 EDADHO CCCCCC(=O)NC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727620 592285715 /nfs/dbraw/zinc/28/57/15/592285715.db2.gz WBFDGEOSIFGBES-IEBWSBKVSA-N 1 3 337.508 1.916 20 0 EDADHO Fc1cccc([C@@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747755 592294820 /nfs/dbraw/zinc/29/48/20/592294820.db2.gz WOIACJRKKFHPSR-ROUUACIJSA-N 1 3 333.451 1.931 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243085 592301671 /nfs/dbraw/zinc/30/16/71/592301671.db2.gz XAEKCZIEDOBEID-QZTJIDSGSA-N 1 3 343.471 1.081 20 0 EDADHO CCOCCN1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1CC ZINC000903740205 592302833 /nfs/dbraw/zinc/30/28/33/592302833.db2.gz SZHGERPWLMNHBK-SQNIBIBYSA-N 1 3 325.497 1.188 20 0 EDADHO Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780510 592320221 /nfs/dbraw/zinc/32/02/21/592320221.db2.gz HUDAELCWDCNXBW-ZAKACXBJSA-N 1 3 332.448 1.857 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820151 592333442 /nfs/dbraw/zinc/33/34/42/592333442.db2.gz VDWXZYVBPDXVGY-KRWDZBQOSA-N 1 3 334.460 1.579 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820151 592333447 /nfs/dbraw/zinc/33/34/47/592333447.db2.gz VDWXZYVBPDXVGY-KRWDZBQOSA-N 1 3 334.460 1.579 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC(CN3CCNC3=O)CC2)cc1 ZINC000903824396 592334739 /nfs/dbraw/zinc/33/47/39/592334739.db2.gz PZAGJYXDEHYDRK-QGZVFWFLSA-N 1 3 346.475 1.475 20 0 EDADHO COc1cccc2c1OC[C@H](NC[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938118 592388862 /nfs/dbraw/zinc/38/88/62/592388862.db2.gz ZZAFQMSEXKKNPL-RHSMWYFYSA-N 1 3 344.459 1.448 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(Cc1cnc3nc(C)cc(C)n13)C2 ZINC000903979005 592400266 /nfs/dbraw/zinc/40/02/66/592400266.db2.gz RTSHVALAQWEHAF-IYOUNJFTSA-N 1 3 343.431 1.058 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC000905365618 592516297 /nfs/dbraw/zinc/51/62/97/592516297.db2.gz CDHSYTPRRGOIRW-ROUUACIJSA-N 1 3 334.460 1.009 20 0 EDADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@H](O)C1(O)CCC1 ZINC000905365618 592516298 /nfs/dbraw/zinc/51/62/98/592516298.db2.gz CDHSYTPRRGOIRW-ROUUACIJSA-N 1 3 334.460 1.009 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000905603558 592575578 /nfs/dbraw/zinc/57/55/78/592575578.db2.gz RUNAJJQCRHNTQJ-OAHLLOKOSA-N 1 3 347.532 1.808 20 0 EDADHO COCc1nc(C)cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000905700518 592614756 /nfs/dbraw/zinc/61/47/56/592614756.db2.gz OCCFYPAPGLDODW-IYBDPMFKSA-N 1 3 331.464 1.336 20 0 EDADHO COCc1nc(C)cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000905700518 592614757 /nfs/dbraw/zinc/61/47/57/592614757.db2.gz OCCFYPAPGLDODW-IYBDPMFKSA-N 1 3 331.464 1.336 20 0 EDADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905911731 592691705 /nfs/dbraw/zinc/69/17/05/592691705.db2.gz ZGVQLTKFBSYILW-VQTJNVASSA-N 1 3 348.487 1.186 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1N(C)C ZINC000906658320 592865168 /nfs/dbraw/zinc/86/51/68/592865168.db2.gz XQXHRXHNRGAFII-DOMZBBRYSA-N 1 3 332.448 1.227 20 0 EDADHO CCO[C@@H]1C[NH2+][C@H](C(=O)NC[C@H](c2ccccc2)N(CC)CC)C1 ZINC000911632388 592969993 /nfs/dbraw/zinc/96/99/93/592969993.db2.gz GCHFPDYRGZLORJ-OKZBNKHCSA-N 1 3 333.476 1.953 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720907 592988144 /nfs/dbraw/zinc/98/81/44/592988144.db2.gz KDIVOWXFZORXKS-YRYLYKBFSA-N 1 3 331.460 1.980 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)C(F)(F)C1CC[NH2+]CC1 ZINC000911734711 592992588 /nfs/dbraw/zinc/99/25/88/592992588.db2.gz BDIYRNGHVOPJKW-UHFFFAOYSA-N 1 3 339.390 1.065 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)nc1F ZINC000912302610 593084347 /nfs/dbraw/zinc/08/43/47/593084347.db2.gz FCTNWLIMFWYQBB-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)nc1F ZINC000912302610 593084348 /nfs/dbraw/zinc/08/43/48/593084348.db2.gz FCTNWLIMFWYQBB-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO CN(C)Cc1ccc(CN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000817953836 593651818 /nfs/dbraw/zinc/65/18/18/593651818.db2.gz UYEDAIDJYNBJIY-UHFFFAOYSA-N 1 3 348.491 1.150 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000820087544 593789854 /nfs/dbraw/zinc/78/98/54/593789854.db2.gz XQMSMPSFKNZKIA-BMGDILEWSA-N 1 3 348.491 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000820087544 593789855 /nfs/dbraw/zinc/78/98/55/593789855.db2.gz XQMSMPSFKNZKIA-BMGDILEWSA-N 1 3 348.491 1.736 20 0 EDADHO CN1C[C@@H]2CCN(C(=O)CCc3ccc(OCC[NH+](C)C)cc3)[C@@H]2C1 ZINC000820273664 593805290 /nfs/dbraw/zinc/80/52/90/593805290.db2.gz YZORUHYHGDJJQY-PKOBYXMFSA-N 1 3 345.487 1.722 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000820708543 593867862 /nfs/dbraw/zinc/86/78/62/593867862.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 1 3 345.487 1.395 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000820708543 593867864 /nfs/dbraw/zinc/86/78/64/593867864.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 1 3 345.487 1.395 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000820809968 593895122 /nfs/dbraw/zinc/89/51/22/593895122.db2.gz LYIFJPIZQMFEGK-OAHLLOKOSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585251 594043175 /nfs/dbraw/zinc/04/31/75/594043175.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC000824585251 594043177 /nfs/dbraw/zinc/04/31/77/594043177.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585251 594043179 /nfs/dbraw/zinc/04/31/79/594043179.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 1 3 344.463 1.754 20 0 EDADHO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC000824585251 594043180 /nfs/dbraw/zinc/04/31/80/594043180.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 1 3 344.463 1.754 20 0 EDADHO CN(CCN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000828714560 594485693 /nfs/dbraw/zinc/48/56/93/594485693.db2.gz DSRNSIMXUJQUPA-LJQANCHMSA-N 1 3 344.503 1.390 20 0 EDADHO [NH3+][C@@H](CC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000829452796 594616457 /nfs/dbraw/zinc/61/64/57/594616457.db2.gz WEAVEVUHSJCCNE-HNNXBMFYSA-N 1 3 325.522 1.982 20 0 EDADHO C[C@@H](C(=O)N1CCC(N2CCN(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000827455526 594673868 /nfs/dbraw/zinc/67/38/68/594673868.db2.gz CMVFRWYOYBNQQS-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO C[NH+]1CCC(CNCc2cccnc2Cl)(N2CCOCC2)CC1 ZINC000840955095 594832837 /nfs/dbraw/zinc/83/28/37/594832837.db2.gz MQXBYPKFUGHONU-UHFFFAOYSA-N 1 3 338.883 1.621 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000841131152 594856076 /nfs/dbraw/zinc/85/60/76/594856076.db2.gz YLGSQPRWLZPISU-UHFFFAOYSA-N 1 3 330.436 1.268 20 0 EDADHO O=C(CNCC1CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846356 594963766 /nfs/dbraw/zinc/96/37/66/594963766.db2.gz IOFIZGFVGPZKCX-INIZCTEOSA-N 1 3 331.416 1.534 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCN(Cc2ccccc2)C1 ZINC000841898224 594976784 /nfs/dbraw/zinc/97/67/84/594976784.db2.gz KPYBDEHWFQTFRP-MJGOQNOKSA-N 1 3 330.476 1.935 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000846144874 595156582 /nfs/dbraw/zinc/15/65/82/595156582.db2.gz KSJBEEWCTHHIKJ-IAGOWNOFSA-N 1 3 332.448 1.068 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000842672498 595166554 /nfs/dbraw/zinc/16/65/54/595166554.db2.gz YOGZFZNDHJZTPC-UHFFFAOYSA-N 1 3 342.491 1.775 20 0 EDADHO Cn1ncc2c1ncnc2N1CCN(CCCCCCC[NH3+])CC1 ZINC000844221250 595306284 /nfs/dbraw/zinc/30/62/84/595306284.db2.gz AYGVVIZCSLPKSQ-UHFFFAOYSA-N 1 3 331.468 1.395 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000848714809 595434815 /nfs/dbraw/zinc/43/48/15/595434815.db2.gz IRKCHTLHSAZURF-RYUDHWBXSA-N 1 3 325.425 1.110 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NCCOC)CC1 ZINC000849012034 595474559 /nfs/dbraw/zinc/47/45/59/595474559.db2.gz DRHPKSKDWIMVQP-UHFFFAOYSA-N 1 3 333.480 1.084 20 0 EDADHO C[C@@H]1CCCN(C(=[NH2+])NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000849073100 595478253 /nfs/dbraw/zinc/47/82/53/595478253.db2.gz JMQIBCCWAAQBSV-QGZVFWFLSA-N 1 3 344.507 1.850 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCCCO1 ZINC000849277125 595499958 /nfs/dbraw/zinc/49/99/58/595499958.db2.gz VPOFGLXVPPFBMZ-LSDHHAIUSA-N 1 3 330.542 1.292 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NC[C@H]1CCCCO1 ZINC000849277125 595499959 /nfs/dbraw/zinc/49/99/59/595499959.db2.gz VPOFGLXVPPFBMZ-LSDHHAIUSA-N 1 3 330.542 1.292 20 0 EDADHO NC(=O)COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000849350246 595509753 /nfs/dbraw/zinc/50/97/53/595509753.db2.gz MNGNVISZODMGTK-KRWDZBQOSA-N 1 3 331.460 1.762 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486802 595548070 /nfs/dbraw/zinc/54/80/70/595548070.db2.gz JAKVYKLJGBDUTC-ZWKOTPCHSA-N 1 3 347.507 1.448 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555823 /nfs/dbraw/zinc/55/58/23/595555823.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 1 3 347.507 1.304 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555826 /nfs/dbraw/zinc/55/58/26/595555826.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 1 3 347.507 1.304 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849582003 595581351 /nfs/dbraw/zinc/58/13/51/595581351.db2.gz KOIMCJVTTYGMQX-DLBZAZTESA-N 1 3 335.496 1.256 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1F ZINC000852869485 595589757 /nfs/dbraw/zinc/58/97/57/595589757.db2.gz GDMPABLBDWGSSB-NSHDSACASA-N 1 3 331.395 1.940 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103671 595665670 /nfs/dbraw/zinc/66/56/70/595665670.db2.gz CRPXVESMIRMXDR-HKUYNNGSSA-N 1 3 327.428 1.471 20 0 EDADHO O[C@@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103671 595665671 /nfs/dbraw/zinc/66/56/71/595665671.db2.gz CRPXVESMIRMXDR-HKUYNNGSSA-N 1 3 327.428 1.471 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000851666775 595876094 /nfs/dbraw/zinc/87/60/94/595876094.db2.gz IUJVUEVSTHZXMG-OCCSQVGLSA-N 1 3 330.423 1.690 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000851666775 595876097 /nfs/dbraw/zinc/87/60/97/595876097.db2.gz IUJVUEVSTHZXMG-OCCSQVGLSA-N 1 3 330.423 1.690 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951898 595984060 /nfs/dbraw/zinc/98/40/60/595984060.db2.gz GVBQHRHUVFIQDW-PMPSAXMXSA-N 1 3 329.485 1.534 20 0 EDADHO CCOC(=O)N1CCC[C@H]([C@@H](C)NC[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000851951898 595984064 /nfs/dbraw/zinc/98/40/64/595984064.db2.gz GVBQHRHUVFIQDW-PMPSAXMXSA-N 1 3 329.485 1.534 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000862725308 596396655 /nfs/dbraw/zinc/39/66/55/596396655.db2.gz KVVBPNPFSWRMNR-SDMNGIDPSA-N 1 3 331.460 1.851 20 0 EDADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000870928800 596409220 /nfs/dbraw/zinc/40/92/20/596409220.db2.gz RNFBBWFFJPJDHF-OTWHNJEPSA-N 1 3 345.487 1.911 20 0 EDADHO CN1CCn2nc(NCc3ccc(OCC[NH+](C)C)cc3)cc2C1 ZINC000865844295 596700967 /nfs/dbraw/zinc/70/09/67/596700967.db2.gz HZFTXDTXKWFMLW-UHFFFAOYSA-N 1 3 329.448 1.881 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000864063081 596748700 /nfs/dbraw/zinc/74/87/00/596748700.db2.gz WUSNMSNHANPQFI-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000868300553 596775878 /nfs/dbraw/zinc/77/58/78/596775878.db2.gz JGUHOIDIQPXLTF-UHFFFAOYSA-N 1 3 346.475 1.771 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCS1 ZINC000875712517 596956750 /nfs/dbraw/zinc/95/67/50/596956750.db2.gz FYQSYWNWIGBDIJ-GJZGRUSLSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCS1 ZINC000875712517 596956752 /nfs/dbraw/zinc/95/67/52/596956752.db2.gz FYQSYWNWIGBDIJ-GJZGRUSLSA-N 1 3 330.542 1.843 20 0 EDADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000874365656 597037269 /nfs/dbraw/zinc/03/72/69/597037269.db2.gz RUXLTZKAPREFGW-SJORKVTESA-N 1 3 344.459 1.382 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000876202373 597132458 /nfs/dbraw/zinc/13/24/58/597132458.db2.gz MWYDADFQAMTUSV-SJLPKXTDSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000876202373 597132460 /nfs/dbraw/zinc/13/24/60/597132460.db2.gz MWYDADFQAMTUSV-SJLPKXTDSA-N 1 3 338.496 1.149 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)[nH]n1 ZINC000873226804 597233820 /nfs/dbraw/zinc/23/38/20/597233820.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)[nH]n1 ZINC000873226804 597233823 /nfs/dbraw/zinc/23/38/23/597233823.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n[nH]1 ZINC000873226804 597233826 /nfs/dbraw/zinc/23/38/26/597233826.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n[nH]1 ZINC000873226804 597233829 /nfs/dbraw/zinc/23/38/29/597233829.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 1 3 347.507 1.910 20 0 EDADHO CC1([NH+]2CCCCC2)CCN(C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000873227138 597234356 /nfs/dbraw/zinc/23/43/56/597234356.db2.gz HJLQFERYDKILEG-KRWDZBQOSA-N 1 3 336.524 1.524 20 0 EDADHO CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1 ZINC000873261024 597241643 /nfs/dbraw/zinc/24/16/43/597241643.db2.gz ANRGYFOMWIYNFM-BBRMVZONSA-N 1 3 325.478 1.115 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000873261024 597241647 /nfs/dbraw/zinc/24/16/47/597241647.db2.gz ANRGYFOMWIYNFM-BBRMVZONSA-N 1 3 325.478 1.115 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CN(C)C)C1 ZINC000876722599 597306132 /nfs/dbraw/zinc/30/61/32/597306132.db2.gz ZMZMZVQWGBWHCW-BXWFABGCSA-N 1 3 346.519 1.670 20 0 EDADHO CN(C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876761095 597326741 /nfs/dbraw/zinc/32/67/41/597326741.db2.gz ZDPWVCHBQOGFSU-AZUAARDMSA-N 1 3 344.503 1.390 20 0 EDADHO CN(C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000876761095 597326745 /nfs/dbraw/zinc/32/67/45/597326745.db2.gz ZDPWVCHBQOGFSU-AZUAARDMSA-N 1 3 344.503 1.390 20 0 EDADHO CCN(CCNC(=O)N(CCOC)CC1CC[NH+](C)CC1)C1CC1 ZINC000875206501 597330945 /nfs/dbraw/zinc/33/09/45/597330945.db2.gz KJMSPVOESBVFPR-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)[C@@H](N)CN(C)C ZINC000876768479 597331911 /nfs/dbraw/zinc/33/19/11/597331911.db2.gz WBIZVDNMUMGMKD-ZOBUZTSGSA-N 1 3 332.492 1.148 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000876772919 597334025 /nfs/dbraw/zinc/33/40/25/597334025.db2.gz UOAKLPBPGVHQNG-SWLSCSKDSA-N 1 3 347.488 1.753 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000876772919 597334027 /nfs/dbraw/zinc/33/40/27/597334027.db2.gz UOAKLPBPGVHQNG-SWLSCSKDSA-N 1 3 347.488 1.753 20 0 EDADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1CCN(Cc2ccncc2)CC1 ZINC000876962335 597398735 /nfs/dbraw/zinc/39/87/35/597398735.db2.gz PNOCVAHBQRBTMC-IDOMTICXSA-N 1 3 342.487 1.966 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225534 597466860 /nfs/dbraw/zinc/46/68/60/597466860.db2.gz VJOTVYHIYRYLKU-INIZCTEOSA-N 1 3 347.459 1.047 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2CCNC3)C[C@H]1C(F)(F)F ZINC000877355626 597499834 /nfs/dbraw/zinc/49/98/34/597499834.db2.gz NZGWQFHVQHVPSL-BXUZGUMPSA-N 1 3 327.350 1.542 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000877391138 597507956 /nfs/dbraw/zinc/50/79/56/597507956.db2.gz NIXIPCREERNQLA-AZUAARDMSA-N 1 3 342.487 1.843 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)C(F)(F)F ZINC000883361481 597724885 /nfs/dbraw/zinc/72/48/85/597724885.db2.gz DVWJLNPZKIVAKI-QWRGUYRKSA-N 1 3 332.313 1.388 20 0 EDADHO CCOC(=O)c1csc(CC2CCN(CCOCC[NH3+])CC2)n1 ZINC000883448246 597750710 /nfs/dbraw/zinc/75/07/10/597750710.db2.gz YQJFZMNVEKENBQ-UHFFFAOYSA-N 1 3 341.477 1.550 20 0 EDADHO COCC[C@H](N)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000884223728 598035460 /nfs/dbraw/zinc/03/54/60/598035460.db2.gz XRBRJHIFCBMZHR-ZOBUZTSGSA-N 1 3 333.476 1.623 20 0 EDADHO CCC(CC)[C@@H](CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)[NH+](C)C ZINC000914406716 695391141 /nfs/dbraw/zinc/39/11/41/695391141.db2.gz NJGPBCAUBFFZON-SJORKVTESA-N 1 3 345.553 1.758 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)c1 ZINC000992925647 695457163 /nfs/dbraw/zinc/45/71/63/695457163.db2.gz LACAYHWDDGDUIX-FHWLQOOXSA-N 1 3 345.487 1.571 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689722 697531852 /nfs/dbraw/zinc/53/18/52/697531852.db2.gz YNZAMKWKSVPYGJ-DOTOQJQBSA-N 1 3 349.500 1.202 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689722 697531853 /nfs/dbraw/zinc/53/18/53/697531853.db2.gz YNZAMKWKSVPYGJ-DOTOQJQBSA-N 1 3 349.500 1.202 20 0 EDADHO Cc1ccc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939214538 699385988 /nfs/dbraw/zinc/38/59/88/699385988.db2.gz LSCCBHVKBGRFST-QAPCUYQASA-N 1 3 326.444 1.940 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603755 701593571 /nfs/dbraw/zinc/59/35/71/701593571.db2.gz NZMITYSBXXFTOV-IEBWSBKVSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603755 701593572 /nfs/dbraw/zinc/59/35/72/701593572.db2.gz NZMITYSBXXFTOV-IEBWSBKVSA-N 1 3 348.535 1.632 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC000939394100 699544471 /nfs/dbraw/zinc/54/44/71/699544471.db2.gz AOZRTWKQQRFOGO-CRAIPNDOSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1cncn1C ZINC000939812943 699960516 /nfs/dbraw/zinc/96/05/16/699960516.db2.gz WVULRIPUPAINNM-WBVHZDCISA-N 1 3 333.480 1.233 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000940153938 700283338 /nfs/dbraw/zinc/28/33/38/700283338.db2.gz GQNPNJAPKHZXQU-UHFFFAOYSA-N 1 3 337.493 1.493 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000940153955 700283418 /nfs/dbraw/zinc/28/34/18/700283418.db2.gz HWYWKWZOURCAEP-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000940329871 700509703 /nfs/dbraw/zinc/50/97/03/700509703.db2.gz ZBLBUOAKFCKNHT-CZUORRHYSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000940329871 700509706 /nfs/dbraw/zinc/50/97/06/700509706.db2.gz ZBLBUOAKFCKNHT-CZUORRHYSA-N 1 3 334.464 1.651 20 0 EDADHO CC1CCN(CC(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)CC1 ZINC000940393163 700569991 /nfs/dbraw/zinc/56/99/91/700569991.db2.gz WCLLAFWRYVDEHC-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000940472226 700657503 /nfs/dbraw/zinc/65/75/03/700657503.db2.gz NVHWPKOHVZNYJD-UHFFFAOYSA-N 1 3 347.507 1.767 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940472783 700658183 /nfs/dbraw/zinc/65/81/83/700658183.db2.gz XQNSBZUEEGPGSO-IAGOWNOFSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)ncn1 ZINC000940625865 700787668 /nfs/dbraw/zinc/78/76/68/700787668.db2.gz VZJZMOLCHIDVRN-IRXDYDNUSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625865 700787670 /nfs/dbraw/zinc/78/76/70/700787670.db2.gz VZJZMOLCHIDVRN-IRXDYDNUSA-N 1 3 345.491 1.596 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940736730 700877904 /nfs/dbraw/zinc/87/79/04/700877904.db2.gz IYSKSTKVISIDFX-CVEARBPZSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940736730 700877906 /nfs/dbraw/zinc/87/79/06/700877906.db2.gz IYSKSTKVISIDFX-CVEARBPZSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943708 701009995 /nfs/dbraw/zinc/00/99/95/701009995.db2.gz NAGSAKXFQOEVQK-GJZGRUSLSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C(C)(C)C1 ZINC000940943708 701009997 /nfs/dbraw/zinc/00/99/97/701009997.db2.gz NAGSAKXFQOEVQK-GJZGRUSLSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1C ZINC000944442568 702024013 /nfs/dbraw/zinc/02/40/13/702024013.db2.gz DOVVTIOUXXMUKJ-BBRMVZONSA-N 1 3 334.464 1.514 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000944442568 702024018 /nfs/dbraw/zinc/02/40/18/702024018.db2.gz DOVVTIOUXXMUKJ-BBRMVZONSA-N 1 3 334.464 1.514 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980592 702139363 /nfs/dbraw/zinc/13/93/63/702139363.db2.gz WERAXJFASQJAJP-QFBILLFUSA-N 1 3 329.488 1.783 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980592 702139367 /nfs/dbraw/zinc/13/93/67/702139367.db2.gz WERAXJFASQJAJP-QFBILLFUSA-N 1 3 329.488 1.783 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CCC1 ZINC000995884594 702218541 /nfs/dbraw/zinc/21/85/41/702218541.db2.gz GQERSADQMKQWIA-INIZCTEOSA-N 1 3 337.508 1.724 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186426 702325769 /nfs/dbraw/zinc/32/57/69/702325769.db2.gz QBYPHXSOZPNUQS-HUUCEWRRSA-N 1 3 329.435 1.812 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186426 702325775 /nfs/dbraw/zinc/32/57/75/702325775.db2.gz QBYPHXSOZPNUQS-HUUCEWRRSA-N 1 3 329.435 1.812 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccns3)C2)CC[N@@H+]1C ZINC000999210630 706663458 /nfs/dbraw/zinc/66/34/58/706663458.db2.gz UEIOXLBZYWHPOT-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccns3)C2)CC[N@H+]1C ZINC000999210630 706663460 /nfs/dbraw/zinc/66/34/60/706663460.db2.gz UEIOXLBZYWHPOT-VNQPRFMTSA-N 1 3 336.505 1.954 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299892 702691033 /nfs/dbraw/zinc/69/10/33/702691033.db2.gz GHJSHWMRUZUNEY-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)N(C)C ZINC000996313860 702702164 /nfs/dbraw/zinc/70/21/64/702702164.db2.gz GFADQNNRMFGCGH-JKSUJKDBSA-N 1 3 348.491 1.052 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cncc(F)c1 ZINC000996518338 702853963 /nfs/dbraw/zinc/85/39/63/702853963.db2.gz DIXSJVKQPOQHGX-MRXNPFEDSA-N 1 3 346.450 1.643 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996662145 702959869 /nfs/dbraw/zinc/95/98/69/702959869.db2.gz PINMGCMARQHOCF-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cc(C)n(C)n2)CC1 ZINC000996662145 702959870 /nfs/dbraw/zinc/95/98/70/702959870.db2.gz PINMGCMARQHOCF-GOSISDBHSA-N 1 3 347.507 1.684 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)n1 ZINC000996666525 702963621 /nfs/dbraw/zinc/96/36/21/702963621.db2.gz SVRQVBIKTHTMHV-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)o1 ZINC000996664692 702966777 /nfs/dbraw/zinc/96/67/77/702966777.db2.gz HJZLDDCNHGVXED-UHFFFAOYSA-N 1 3 334.464 1.856 20 0 EDADHO C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996674787 702969994 /nfs/dbraw/zinc/96/99/94/702969994.db2.gz WXGABGGFMMUIEL-WMLDXEAASA-N 1 3 333.476 1.569 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)N(C)C ZINC000996689462 702987140 /nfs/dbraw/zinc/98/71/40/702987140.db2.gz DYRBLHSXRTYMQU-IBGZPJMESA-N 1 3 347.503 1.846 20 0 EDADHO Cc1csc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996947784 703217412 /nfs/dbraw/zinc/21/74/12/703217412.db2.gz WXEZPXSNSNZCHY-UHFFFAOYSA-N 1 3 336.505 1.874 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996996306 703259435 /nfs/dbraw/zinc/25/94/35/703259435.db2.gz XUUUJXVLNOHONO-AWEZNQCLSA-N 1 3 334.464 1.802 20 0 EDADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000996996982 703260655 /nfs/dbraw/zinc/26/06/55/703260655.db2.gz CXBHFLKNRDSYSN-HNNXBMFYSA-N 1 3 345.491 1.394 20 0 EDADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000996996982 703260656 /nfs/dbraw/zinc/26/06/56/703260656.db2.gz CXBHFLKNRDSYSN-HNNXBMFYSA-N 1 3 345.491 1.394 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997093468 703340723 /nfs/dbraw/zinc/34/07/23/703340723.db2.gz OCRIPXDFGGMERE-SJORKVTESA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000997093468 703340725 /nfs/dbraw/zinc/34/07/25/703340725.db2.gz OCRIPXDFGGMERE-SJORKVTESA-N 1 3 345.491 1.518 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC1 ZINC000997114813 703367688 /nfs/dbraw/zinc/36/76/88/703367688.db2.gz HNCIUQILUIHFPO-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053105 703402359 /nfs/dbraw/zinc/40/23/59/703402359.db2.gz ORFUKDBAMIAXIU-BEFAXECRSA-N 1 3 345.487 1.977 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3cncs3)C2)CC[N@@H+]1C ZINC000999303317 706796491 /nfs/dbraw/zinc/79/64/91/706796491.db2.gz LBFCCCOPMXKTJA-HESLUPGFSA-N 1 3 336.505 1.952 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3cncs3)C2)CC[N@H+]1C ZINC000999303317 706796492 /nfs/dbraw/zinc/79/64/92/706796492.db2.gz LBFCCCOPMXKTJA-HESLUPGFSA-N 1 3 336.505 1.952 20 0 EDADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598067 704309227 /nfs/dbraw/zinc/30/92/27/704309227.db2.gz WQEWUNFTJSFESG-MHORFTMASA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598067 704309228 /nfs/dbraw/zinc/30/92/28/704309228.db2.gz WQEWUNFTJSFESG-MHORFTMASA-N 1 3 335.492 1.428 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997830381 704749135 /nfs/dbraw/zinc/74/91/35/704749135.db2.gz JEUJGUKEWYKGCA-QGZVFWFLSA-N 1 3 334.464 1.651 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000997832044 704750378 /nfs/dbraw/zinc/75/03/78/704750378.db2.gz XUBRADQEIBJLBJ-SFHVURJKSA-N 1 3 330.476 1.750 20 0 EDADHO Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997865208 704772537 /nfs/dbraw/zinc/77/25/37/704772537.db2.gz MHTVUDGOILCUQG-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCCN3C)CC2)on1 ZINC000997865151 704772623 /nfs/dbraw/zinc/77/26/23/704772623.db2.gz LSMMMVDEIDNEMX-QGZVFWFLSA-N 1 3 334.464 1.796 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)N(C)C ZINC000998039622 705234226 /nfs/dbraw/zinc/23/42/26/705234226.db2.gz DKWFNHRHAVPOIM-QGZVFWFLSA-N 1 3 335.496 1.335 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998067452 705280059 /nfs/dbraw/zinc/28/00/59/705280059.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](CC)CC1 ZINC000998067452 705280063 /nfs/dbraw/zinc/28/00/63/705280063.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 1 3 335.492 1.573 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998081322 705302177 /nfs/dbraw/zinc/30/21/77/705302177.db2.gz JCJMIDGHQFXFDW-ZDUSSCGKSA-N 1 3 337.493 1.208 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3cnns3)CC2)C1 ZINC000998081322 705302181 /nfs/dbraw/zinc/30/21/81/705302181.db2.gz JCJMIDGHQFXFDW-ZDUSSCGKSA-N 1 3 337.493 1.208 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000998079981 705304430 /nfs/dbraw/zinc/30/44/30/705304430.db2.gz XFAVWPGLGXWAJP-KSSFIOAISA-N 1 3 347.507 1.254 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1C ZINC000998079981 705304435 /nfs/dbraw/zinc/30/44/35/705304435.db2.gz XFAVWPGLGXWAJP-KSSFIOAISA-N 1 3 347.507 1.254 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)CC1 ZINC001032602940 705418961 /nfs/dbraw/zinc/41/89/61/705418961.db2.gz IOBPASKXSZBFDP-ROUUACIJSA-N 1 3 335.492 1.430 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998266267 705637952 /nfs/dbraw/zinc/63/79/52/705637952.db2.gz PPLZJZAIYVCFCN-INIZCTEOSA-N 1 3 333.480 1.008 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000998266267 705637956 /nfs/dbraw/zinc/63/79/56/705637956.db2.gz PPLZJZAIYVCFCN-INIZCTEOSA-N 1 3 333.480 1.008 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)ncn1 ZINC000998270787 705649638 /nfs/dbraw/zinc/64/96/38/705649638.db2.gz ZRTXCNNLQYYCBD-UHFFFAOYSA-N 1 3 331.464 1.209 20 0 EDADHO CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269297 705651919 /nfs/dbraw/zinc/65/19/19/705651919.db2.gz LZISDKSEJRWPDE-UHFFFAOYSA-N 1 3 348.495 1.030 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999353203 706866119 /nfs/dbraw/zinc/86/61/19/706866119.db2.gz LNQASMXXVXXXED-SJORKVTESA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999353203 706866123 /nfs/dbraw/zinc/86/61/23/706866123.db2.gz LNQASMXXVXXXED-SJORKVTESA-N 1 3 347.507 1.764 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999367147 706880962 /nfs/dbraw/zinc/88/09/62/706880962.db2.gz DSDXHRWZSBMFOC-SJLPKXTDSA-N 1 3 330.476 1.811 20 0 EDADHO CCc1noc(C)c1CN[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999371010 706885170 /nfs/dbraw/zinc/88/51/70/706885170.db2.gz MOJHKWHCFAPRKU-MAUKXSAKSA-N 1 3 348.491 1.966 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999475327 706984226 /nfs/dbraw/zinc/98/42/26/706984226.db2.gz WRTCITKQKQEHGU-UHFFFAOYSA-N 1 3 336.827 1.081 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2scnc2C)C1)N(C)C ZINC000999488610 707024531 /nfs/dbraw/zinc/02/45/31/707024531.db2.gz GQVJTGUGFDCWMN-LSDHHAIUSA-N 1 3 338.521 1.915 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921686776 707311407 /nfs/dbraw/zinc/31/14/07/707311407.db2.gz XWLJCULMXWJNHU-KRWDZBQOSA-N 1 3 346.519 1.752 20 0 EDADHO CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279591 707346930 /nfs/dbraw/zinc/34/69/30/707346930.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 1 3 349.519 1.819 20 0 EDADHO CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001033279591 707346932 /nfs/dbraw/zinc/34/69/32/707346932.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 1 3 349.519 1.819 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]2CC1 ZINC000946800752 707452590 /nfs/dbraw/zinc/45/25/90/707452590.db2.gz JUMOJHKIZBLMQB-IYBDPMFKSA-N 1 3 346.475 1.692 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CCOC3CCC3)C[C@H]2CC1 ZINC000946800752 707452593 /nfs/dbraw/zinc/45/25/93/707452593.db2.gz JUMOJHKIZBLMQB-IYBDPMFKSA-N 1 3 346.475 1.692 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999834658 707467041 /nfs/dbraw/zinc/46/70/41/707467041.db2.gz ULXSKPAPPCHOAO-UHFFFAOYSA-N 1 3 336.867 1.910 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2ccccc2)C1 ZINC001032781267 707967036 /nfs/dbraw/zinc/96/70/36/707967036.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 1 3 327.472 1.856 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCc2ccccc2)C1 ZINC001032781267 707967040 /nfs/dbraw/zinc/96/70/40/707967040.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 1 3 327.472 1.856 20 0 EDADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@]2(C1)CCCN(CCF)C2 ZINC001040532712 708111301 /nfs/dbraw/zinc/11/13/01/708111301.db2.gz ZJEBGNTTZONUOP-FUHWJXTLSA-N 1 3 341.471 1.239 20 0 EDADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCF)C2 ZINC001040532712 708111305 /nfs/dbraw/zinc/11/13/05/708111305.db2.gz ZJEBGNTTZONUOP-FUHWJXTLSA-N 1 3 341.471 1.239 20 0 EDADHO C[C@@H](CN1CCOCC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCF)C2 ZINC001040532712 708111307 /nfs/dbraw/zinc/11/13/07/708111307.db2.gz ZJEBGNTTZONUOP-FUHWJXTLSA-N 1 3 341.471 1.239 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033591034 708288497 /nfs/dbraw/zinc/28/84/97/708288497.db2.gz SESOWAAVVGBNHS-GJZGRUSLSA-N 1 3 334.464 1.647 20 0 EDADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001033591034 708288500 /nfs/dbraw/zinc/28/85/00/708288500.db2.gz SESOWAAVVGBNHS-GJZGRUSLSA-N 1 3 334.464 1.647 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001034046155 709298716 /nfs/dbraw/zinc/29/87/16/709298716.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 1 3 345.487 1.940 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001034046155 709298718 /nfs/dbraw/zinc/29/87/18/709298718.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 1 3 345.487 1.940 20 0 EDADHO CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321996 709773231 /nfs/dbraw/zinc/77/32/31/709773231.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 1 3 347.503 1.787 20 0 EDADHO CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034321996 709773233 /nfs/dbraw/zinc/77/32/33/709773233.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 1 3 347.503 1.787 20 0 EDADHO Cn1nccc1CCN1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034490078 710108292 /nfs/dbraw/zinc/10/82/92/710108292.db2.gz FZSAJSAHNBLEKN-INIZCTEOSA-N 1 3 345.491 1.029 20 0 EDADHO Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC(C)(C)C3)CC2)n1 ZINC001034735627 710920862 /nfs/dbraw/zinc/92/08/62/710920862.db2.gz JTOFHBJTIKQCER-WKILWMFISA-N 1 3 347.507 1.669 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC001034739193 710933476 /nfs/dbraw/zinc/93/34/76/710933476.db2.gz YVYPXEZKDRQKMC-MMTVNHQJSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC001034739193 710933479 /nfs/dbraw/zinc/93/34/79/710933479.db2.gz YVYPXEZKDRQKMC-MMTVNHQJSA-N 1 3 334.464 1.698 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792979 711121131 /nfs/dbraw/zinc/12/11/31/711121131.db2.gz PVFUGQJEUORMKU-JYJNAYRXSA-N 1 3 333.480 1.372 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792979 711121136 /nfs/dbraw/zinc/12/11/36/711121136.db2.gz PVFUGQJEUORMKU-JYJNAYRXSA-N 1 3 333.480 1.372 20 0 EDADHO Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)s1 ZINC001034882058 711282467 /nfs/dbraw/zinc/28/24/67/711282467.db2.gz QYYYPMISKPXVGM-CABCVRRESA-N 1 3 336.505 1.935 20 0 EDADHO CCOC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001034957136 711428318 /nfs/dbraw/zinc/42/83/18/711428318.db2.gz YWKOBCXHXXMGPJ-ARWYELJZSA-N 1 3 334.464 1.738 20 0 EDADHO CCOC1CC(C[NH2+]C[C@H]2CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001034957136 711428319 /nfs/dbraw/zinc/42/83/19/711428319.db2.gz YWKOBCXHXXMGPJ-ARWYELJZSA-N 1 3 334.464 1.738 20 0 EDADHO COc1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001034940054 711443557 /nfs/dbraw/zinc/44/35/57/711443557.db2.gz VAHNCKPEACSJHW-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO COc1cc(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccn1 ZINC001034940054 711443562 /nfs/dbraw/zinc/44/35/62/711443562.db2.gz VAHNCKPEACSJHW-DJIMGWMZSA-N 1 3 346.475 1.511 20 0 EDADHO CN(C)CCn1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000173946335 231077437 /nfs/dbraw/zinc/07/74/37/231077437.db2.gz CTQOMGXTBPBARV-UHFFFAOYSA-N 1 3 336.484 1.875 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccc(OCCN(C)C)c(OC)c2)CCC[NH2+]1 ZINC000134575965 529519329 /nfs/dbraw/zinc/51/93/29/529519329.db2.gz PFCBJTZZDRWQBY-IBGZPJMESA-N 1 3 349.475 1.784 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4nccn4c3)CC2)CC1 ZINC000171923100 530049952 /nfs/dbraw/zinc/04/99/52/530049952.db2.gz HZJORBAGICIOSZ-UHFFFAOYSA-N 1 3 341.459 1.623 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290993 /nfs/dbraw/zinc/29/09/93/306290993.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 1 3 342.487 1.848 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290994 /nfs/dbraw/zinc/29/09/94/306290994.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 1 3 342.487 1.848 20 0 EDADHO C/C=C\C[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000588491938 539991562 /nfs/dbraw/zinc/99/15/62/539991562.db2.gz ASKSHHCDNVPRRD-MJSXRHKHSA-N 1 3 338.496 1.171 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210588 306323752 /nfs/dbraw/zinc/32/37/52/306323752.db2.gz BOIBHUJCBHGSJI-QAPCUYQASA-N 1 3 330.476 1.016 20 0 EDADHO COCC[NH2+]C1CCN(CCCN2CCN(C(C)C)CC2)CC1 ZINC000563268955 306325578 /nfs/dbraw/zinc/32/55/78/306325578.db2.gz PPDRVXKRCNTGTJ-UHFFFAOYSA-N 1 3 326.529 1.103 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417942506 283124560 /nfs/dbraw/zinc/12/45/60/283124560.db2.gz OBUYEHAVOMVPMC-XWTMOSNGSA-N 1 3 328.460 1.683 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCOC3)CC2)CC1 ZINC000051777740 138135514 /nfs/dbraw/zinc/13/55/14/138135514.db2.gz CCTCDYHKIIEGDQ-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580475 306339642 /nfs/dbraw/zinc/33/96/42/306339642.db2.gz IXNNISIBRMANSK-OIISXLGYSA-N 1 3 332.448 1.191 20 0 EDADHO Cn1cccc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427147 138288829 /nfs/dbraw/zinc/28/88/29/138288829.db2.gz NPUWOZKIDKGSMG-UHFFFAOYSA-N 1 3 334.508 1.941 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000563753654 306346572 /nfs/dbraw/zinc/34/65/72/306346572.db2.gz IANQSMPRJYQUIJ-UHFFFAOYSA-N 1 3 332.492 1.536 20 0 EDADHO COCCN(C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163201 306376956 /nfs/dbraw/zinc/37/69/56/306376956.db2.gz JQWCKBJBIZCOGF-RTBURBONSA-N 1 3 341.540 1.369 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414493501 304120148 /nfs/dbraw/zinc/12/01/48/304120148.db2.gz BYPSORCBNUPHCV-GOSISDBHSA-N 1 3 344.503 1.739 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414493501 304120149 /nfs/dbraw/zinc/12/01/49/304120149.db2.gz BYPSORCBNUPHCV-GOSISDBHSA-N 1 3 344.503 1.739 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414707638 304130713 /nfs/dbraw/zinc/13/07/13/304130713.db2.gz MXPDSPOOILNFMW-ARFHVFGLSA-N 1 3 325.497 1.709 20 0 EDADHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414707638 304130715 /nfs/dbraw/zinc/13/07/15/304130715.db2.gz MXPDSPOOILNFMW-ARFHVFGLSA-N 1 3 325.497 1.709 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000414728678 304133887 /nfs/dbraw/zinc/13/38/87/304133887.db2.gz CORDHBNQGUGJJZ-AWEZNQCLSA-N 1 3 332.448 1.193 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738990 304135380 /nfs/dbraw/zinc/13/53/80/304135380.db2.gz IODXXPPCEBVVJB-ZIAGYGMSSA-N 1 3 332.448 1.320 20 0 EDADHO O=C([C@H]1CCCN1C1CCOCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353052054 296109539 /nfs/dbraw/zinc/10/95/39/296109539.db2.gz ZADYTSMAGXOXSN-ZWKOTPCHSA-N 1 3 335.492 1.620 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000414749797 304137272 /nfs/dbraw/zinc/13/72/72/304137272.db2.gz WPGIGYYZMZLZDL-CABCVRRESA-N 1 3 346.475 1.581 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)N(C)C ZINC000414758081 304137496 /nfs/dbraw/zinc/13/74/96/304137496.db2.gz BTDUIGSBRUTLDC-SECBINFHSA-N 1 3 346.353 1.169 20 0 EDADHO COC(=O)COc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414787217 304140936 /nfs/dbraw/zinc/14/09/36/304140936.db2.gz VLCWYIQNWBWHDP-INIZCTEOSA-N 1 3 348.443 1.426 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCCNC2)c1 ZINC000415069597 304156906 /nfs/dbraw/zinc/15/69/06/304156906.db2.gz PEQCMFHUHRXEIZ-BBRMVZONSA-N 1 3 333.432 1.922 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104260 304160393 /nfs/dbraw/zinc/16/03/93/304160393.db2.gz KOJKKMYUGITERM-WMLDXEAASA-N 1 3 341.459 1.897 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000415146369 304164979 /nfs/dbraw/zinc/16/49/79/304164979.db2.gz YMCOCGNDVIEUOP-GOEBONIOSA-N 1 3 344.459 1.430 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236839682 139033200 /nfs/dbraw/zinc/03/32/00/139033200.db2.gz JACYXVDCMBCNNU-KRWDZBQOSA-N 1 3 346.475 1.089 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000237718258 139058534 /nfs/dbraw/zinc/05/85/34/139058534.db2.gz DBLJYYUXPHIHGL-LJQANCHMSA-N 1 3 344.503 1.847 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415228730 304176849 /nfs/dbraw/zinc/17/68/49/304176849.db2.gz LIRPIYJYSASZLT-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568212598 306475926 /nfs/dbraw/zinc/47/59/26/306475926.db2.gz DVGWMQHCOBHRSI-UHFFFAOYSA-N 1 3 335.496 1.783 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CN(C)C)c(C)c2)C1 ZINC000415359356 304203436 /nfs/dbraw/zinc/20/34/36/304203436.db2.gz KNPYHJVVWIQUEO-MRXNPFEDSA-N 1 3 332.448 1.206 20 0 EDADHO CC(C)(CN)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415384486 304210450 /nfs/dbraw/zinc/21/04/50/304210450.db2.gz UADUXHNZLOSRRR-UHFFFAOYSA-N 1 3 332.448 1.117 20 0 EDADHO CC[C@H](COC)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248156006 139159009 /nfs/dbraw/zinc/15/90/09/139159009.db2.gz RKHVRLSECXAKPF-QZTJIDSGSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@H](COC)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248156006 139159010 /nfs/dbraw/zinc/15/90/10/139159010.db2.gz RKHVRLSECXAKPF-QZTJIDSGSA-N 1 3 333.476 1.899 20 0 EDADHO CC[C@H](COC)[NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000248156006 139159011 /nfs/dbraw/zinc/15/90/11/139159011.db2.gz RKHVRLSECXAKPF-QZTJIDSGSA-N 1 3 333.476 1.899 20 0 EDADHO CSC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000249437891 139193425 /nfs/dbraw/zinc/19/34/25/139193425.db2.gz JAUGLHNOGFUVSE-BFYDXBDKSA-N 1 3 330.538 1.922 20 0 EDADHO CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CCN(Cc2ccccc2)CC1 ZINC000261660556 139215183 /nfs/dbraw/zinc/21/51/83/139215183.db2.gz FPYSUTUBELLKSJ-MSOLQXFVSA-N 1 3 331.460 1.616 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C1CCOCC1)c1ccccc1 ZINC000261669347 139215938 /nfs/dbraw/zinc/21/59/38/139215938.db2.gz GEUOXKQABWKQNX-MSOLQXFVSA-N 1 3 333.476 1.940 20 0 EDADHO Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261674545 139216343 /nfs/dbraw/zinc/21/63/43/139216343.db2.gz MCOMGOCVZMJFAN-CABCVRRESA-N 1 3 332.448 1.176 20 0 EDADHO Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261674545 139216344 /nfs/dbraw/zinc/21/63/44/139216344.db2.gz MCOMGOCVZMJFAN-CABCVRRESA-N 1 3 332.448 1.176 20 0 EDADHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261690612 139217793 /nfs/dbraw/zinc/21/77/93/139217793.db2.gz NPZPJRNMRPCYJD-SFHVURJKSA-N 1 3 331.460 1.667 20 0 EDADHO c1cnc(Oc2ccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129472 139253381 /nfs/dbraw/zinc/25/33/81/139253381.db2.gz NSJUDLKFHFASIN-KRWDZBQOSA-N 1 3 339.443 1.748 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)[C@H](C[NH3+])C1 ZINC000417312157 251155537 /nfs/dbraw/zinc/15/55/37/251155537.db2.gz NCVAEORHMDJPJN-RCCFBDPRSA-N 1 3 348.491 1.745 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417550572 251186925 /nfs/dbraw/zinc/18/69/25/251186925.db2.gz VSVNZUPOUSGESJ-HNNXBMFYSA-N 1 3 340.512 1.707 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)NC[C@H]1CC[NH2+]C1 ZINC000417590672 251200157 /nfs/dbraw/zinc/20/01/57/251200157.db2.gz HSSYRKMGCGQKMA-KRWDZBQOSA-N 1 3 346.475 1.570 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417847661 251296078 /nfs/dbraw/zinc/29/60/78/251296078.db2.gz KFKZSULOOQCOLL-KRWDZBQOSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000417847034 251295164 /nfs/dbraw/zinc/29/51/64/251295164.db2.gz UNVVJCFOBJBJTC-NXHRZFHOSA-N 1 3 346.475 1.409 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417845080 251295992 /nfs/dbraw/zinc/29/59/92/251295992.db2.gz IIRLWBRYWCZEDG-OAHLLOKOSA-N 1 3 348.491 1.441 20 0 EDADHO C[C@@H](C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464734 139280825 /nfs/dbraw/zinc/28/08/25/139280825.db2.gz XPMKHMHERBGXSC-QGZVFWFLSA-N 1 3 344.503 1.118 20 0 EDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000262528168 139284368 /nfs/dbraw/zinc/28/43/68/139284368.db2.gz MFEQFHUAMJKXMU-QWHCGFSZSA-N 1 3 332.448 1.306 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000418161369 251349463 /nfs/dbraw/zinc/34/94/63/251349463.db2.gz FADXVFWTIXTXGC-YHUYYLMFSA-N 1 3 334.464 1.960 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CCN(C)CC1 ZINC000418193950 251353421 /nfs/dbraw/zinc/35/34/21/251353421.db2.gz CVIZGJKDDUZAOZ-CQSZACIVSA-N 1 3 328.526 1.584 20 0 EDADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000418348948 251362169 /nfs/dbraw/zinc/36/21/69/251362169.db2.gz JMZMTDLENHIULO-ZWKOTPCHSA-N 1 3 348.491 1.782 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000262651598 139293099 /nfs/dbraw/zinc/29/30/99/139293099.db2.gz RELKWSREVDZEIW-RBUKOAKNSA-N 1 3 344.503 1.438 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755784 251966076 /nfs/dbraw/zinc/96/60/76/251966076.db2.gz HATOOXLTHGKUGH-WFASDCNBSA-N 1 3 345.896 1.725 20 0 EDADHO COCCO[C@@H]1COCC[C@@H]1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423058365 252028604 /nfs/dbraw/zinc/02/86/04/252028604.db2.gz BYCINJFQNFJOGZ-CADBVGFASA-N 1 3 334.460 1.890 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424482179 252250223 /nfs/dbraw/zinc/25/02/23/252250223.db2.gz SZBWKGXMBQIPGN-HUUCEWRRSA-N 1 3 335.452 1.091 20 0 EDADHO Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425898282 252313290 /nfs/dbraw/zinc/31/32/90/252313290.db2.gz YMORNIBANMRYMB-KBXCAEBGSA-N 1 3 345.447 1.743 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246578846 285023078 /nfs/dbraw/zinc/02/30/78/285023078.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246578846 285023082 /nfs/dbraw/zinc/02/30/82/285023082.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 1 3 338.496 1.223 20 0 EDADHO C[NH+](C)CCOCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000471647034 255015426 /nfs/dbraw/zinc/01/54/26/255015426.db2.gz YXJXAVVJHFQWTH-UHFFFAOYSA-N 1 3 348.491 1.312 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783102 285247132 /nfs/dbraw/zinc/24/71/32/285247132.db2.gz CGEDGXNSRBUDFY-SJORKVTESA-N 1 3 337.508 1.678 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783102 285247134 /nfs/dbraw/zinc/24/71/34/285247134.db2.gz CGEDGXNSRBUDFY-SJORKVTESA-N 1 3 337.508 1.678 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000118103208 221117129 /nfs/dbraw/zinc/11/71/29/221117129.db2.gz VLYCBHSQNPUSBU-INIZCTEOSA-N 1 3 332.448 1.143 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C)C1 ZINC000246032356 285368171 /nfs/dbraw/zinc/36/81/71/285368171.db2.gz NTOXHNAIQNIBHN-LSDHHAIUSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CCN(C)C)n2)[C@@H](C)C1 ZINC000246032356 285368172 /nfs/dbraw/zinc/36/81/72/285368172.db2.gz NTOXHNAIQNIBHN-LSDHHAIUSA-N 1 3 336.484 1.639 20 0 EDADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCCN(CCCO)C1 ZINC000415888576 304284450 /nfs/dbraw/zinc/28/44/50/304284450.db2.gz ADAJRWQUNITMST-KRWDZBQOSA-N 1 3 332.448 1.301 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000415934963 304286408 /nfs/dbraw/zinc/28/64/08/304286408.db2.gz SYEZOLXZWJPUAP-INIZCTEOSA-N 1 3 334.464 1.764 20 0 EDADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269534237 139949791 /nfs/dbraw/zinc/94/97/91/139949791.db2.gz XYFHDODIZJYFTN-IAGOWNOFSA-N 1 3 346.475 1.135 20 0 EDADHO CN1CC=C(CNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000272093381 140399677 /nfs/dbraw/zinc/39/96/77/140399677.db2.gz NQWAPUMFFYWDBC-UHFFFAOYSA-N 1 3 346.475 1.688 20 0 EDADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@@H](C)C1 ZINC000331475119 141035669 /nfs/dbraw/zinc/03/56/69/141035669.db2.gz CZGXOGVMABWMGU-JYJNAYRXSA-N 1 3 333.480 1.069 20 0 EDADHO COC(=O)c1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cn1C ZINC000331657183 141063192 /nfs/dbraw/zinc/06/31/92/141063192.db2.gz MHOBKUCJSUSTEP-NVXWUHKLSA-N 1 3 335.448 1.279 20 0 EDADHO NC[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000343435852 142844642 /nfs/dbraw/zinc/84/46/42/142844642.db2.gz KYFSCAIVIVLATP-NEPJUHHUSA-N 1 3 334.420 1.779 20 0 EDADHO C[C@@H](Cn1cccn1)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000345154049 143058517 /nfs/dbraw/zinc/05/85/17/143058517.db2.gz HMEAZWOZTHUJLQ-KRWDZBQOSA-N 1 3 328.464 1.469 20 0 EDADHO C[C@H](CCNC(=O)NCC1(O)CCN(C)CC1)[NH+]1CCCCC1 ZINC000345829429 143137691 /nfs/dbraw/zinc/13/76/91/143137691.db2.gz BYLRQOVFSAPBRB-OAHLLOKOSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C(=O)CN1c2ccccc2SCC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347013910 143271619 /nfs/dbraw/zinc/27/16/19/143271619.db2.gz PJXDPDHPVNZURP-AWEZNQCLSA-N 1 3 345.468 1.820 20 0 EDADHO CN(C(=O)CN1c2ccccc2SCC1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347013910 143271620 /nfs/dbraw/zinc/27/16/20/143271620.db2.gz PJXDPDHPVNZURP-AWEZNQCLSA-N 1 3 345.468 1.820 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)N(C)C1 ZINC000347044896 143275939 /nfs/dbraw/zinc/27/59/39/143275939.db2.gz AEEHRKUHFRNQGJ-CVEARBPZSA-N 1 3 326.485 1.079 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347522436 143331719 /nfs/dbraw/zinc/33/17/19/143331719.db2.gz PMSVTJRJMDXFIZ-UHFFFAOYSA-N 1 3 331.460 1.909 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000347964057 143384539 /nfs/dbraw/zinc/38/45/39/143384539.db2.gz FKSVMZFUISLVIT-HZPDHXFCSA-N 1 3 340.512 1.166 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348019439 143391841 /nfs/dbraw/zinc/39/18/41/143391841.db2.gz YKMFJLAJHNLHBV-FQEVSTJZSA-N 1 3 346.519 1.913 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C1 ZINC000348434592 143432272 /nfs/dbraw/zinc/43/22/72/143432272.db2.gz JZQGWDAFKYYQGL-BACDZXNISA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942911 296580388 /nfs/dbraw/zinc/58/03/88/296580388.db2.gz QKVZIBJTFRXNHM-CABCVRRESA-N 1 3 340.537 1.645 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416859278 304352492 /nfs/dbraw/zinc/35/24/92/304352492.db2.gz ZUKGBXJXLAPVGA-UONOGXRCSA-N 1 3 328.407 1.441 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358040677 286062684 /nfs/dbraw/zinc/06/26/84/286062684.db2.gz SFEOSKWIGYANDF-HOTGVXAUSA-N 1 3 349.541 1.041 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000416968483 304356930 /nfs/dbraw/zinc/35/69/30/304356930.db2.gz JDPWJZWYEHOBRW-AEFFLSMTSA-N 1 3 348.491 1.944 20 0 EDADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCCNCC1 ZINC000416972068 304358377 /nfs/dbraw/zinc/35/83/77/304358377.db2.gz HTHBCDPJUSGUPR-UHFFFAOYSA-N 1 3 330.476 1.698 20 0 EDADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417030994 304362965 /nfs/dbraw/zinc/36/29/65/304362965.db2.gz PXPYWTDNWOEZLA-QAPCUYQASA-N 1 3 330.476 1.861 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153368 151289837 /nfs/dbraw/zinc/28/98/37/151289837.db2.gz IIDAQUANBRFQPQ-QRQLOZEOSA-N 1 3 339.524 1.576 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153368 151289838 /nfs/dbraw/zinc/28/98/38/151289838.db2.gz IIDAQUANBRFQPQ-QRQLOZEOSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491437 151393021 /nfs/dbraw/zinc/39/30/21/151393021.db2.gz FFBPTNQUHVPBOK-OAGGEKHMSA-N 1 3 340.512 1.467 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000186724838 286306852 /nfs/dbraw/zinc/30/68/52/286306852.db2.gz NRFMFJXNFYVENY-IIDMSEBBSA-N 1 3 325.497 1.757 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360657640 152142345 /nfs/dbraw/zinc/14/23/45/152142345.db2.gz OTVROXJSMLLSMZ-BFYDXBDKSA-N 1 3 342.553 1.986 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748771 152184616 /nfs/dbraw/zinc/18/46/16/152184616.db2.gz XRUSBEQIRBFURI-NVXWUHKLSA-N 1 3 340.537 1.694 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000370157737 155354437 /nfs/dbraw/zinc/35/44/37/155354437.db2.gz CEBZYFRHCPKESQ-VQIMIIECSA-N 1 3 342.487 1.653 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417193690 304383056 /nfs/dbraw/zinc/38/30/56/304383056.db2.gz LRAJLOUWLULWGK-SQNIBIBYSA-N 1 3 330.476 1.695 20 0 EDADHO CCCCOC[C@@H](O)C[NH+]1CCC(N2CCN(CCC)CC2)CC1 ZINC000365003864 153395907 /nfs/dbraw/zinc/39/59/07/153395907.db2.gz XECIKOYSYCNIRC-IBGZPJMESA-N 1 3 341.540 1.656 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417242436 304387476 /nfs/dbraw/zinc/38/74/76/304387476.db2.gz UKPJHYNUGGCZFS-OLZOCXBDSA-N 1 3 332.439 1.793 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417242436 304387478 /nfs/dbraw/zinc/38/74/78/304387478.db2.gz UKPJHYNUGGCZFS-OLZOCXBDSA-N 1 3 332.439 1.793 20 0 EDADHO O=C(Nc1cccc2c1CNCC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000367512846 154154965 /nfs/dbraw/zinc/15/49/65/154154965.db2.gz GZHAMCCXTRTAMQ-AWEZNQCLSA-N 1 3 325.416 1.706 20 0 EDADHO CC[NH2+]CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417326403 304392181 /nfs/dbraw/zinc/39/21/81/304392181.db2.gz GELJTSQOMHQEDP-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417360851 304394653 /nfs/dbraw/zinc/39/46/53/304394653.db2.gz KBGOVFCPRNGUFY-UHFFFAOYSA-N 1 3 346.475 1.736 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000372336184 156340006 /nfs/dbraw/zinc/34/00/06/156340006.db2.gz DTDZLBJGYCYLMA-IEZWGBDMSA-N 1 3 328.460 1.954 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)C1CC1 ZINC000372381956 156362534 /nfs/dbraw/zinc/36/25/34/156362534.db2.gz AJMJIMTZZLMALC-ROUUACIJSA-N 1 3 346.475 1.015 20 0 EDADHO Cc1nccn1CCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372428006 156384252 /nfs/dbraw/zinc/38/42/52/156384252.db2.gz LCPXROIYZPDMLI-IEBWSBKVSA-N 1 3 333.524 1.930 20 0 EDADHO Cc1nccn1CCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372428006 156384255 /nfs/dbraw/zinc/38/42/55/156384255.db2.gz LCPXROIYZPDMLI-IEBWSBKVSA-N 1 3 333.524 1.930 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417535184 304404396 /nfs/dbraw/zinc/40/43/96/304404396.db2.gz BMPNZSWYLNCYMF-GJZGRUSLSA-N 1 3 340.512 1.693 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000417546339 304404765 /nfs/dbraw/zinc/40/47/65/304404765.db2.gz MGTYLRIJEAMLBL-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO NC1(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)Cc2ccccc2C1 ZINC000374462107 157299235 /nfs/dbraw/zinc/29/92/35/157299235.db2.gz SRVBGMYYZVCGIL-HNNXBMFYSA-N 1 3 343.471 1.100 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418409633 304492890 /nfs/dbraw/zinc/49/28/90/304492890.db2.gz VNTGKKKUYKYFNI-SFHVURJKSA-N 1 3 332.492 1.930 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1C[NH2+]C1 ZINC000418493734 304503248 /nfs/dbraw/zinc/50/32/48/304503248.db2.gz WZKLJYVBHZSUHB-UHFFFAOYSA-N 1 3 326.391 1.257 20 0 EDADHO C[C@H](Cn1cccn1)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000273977385 273063952 /nfs/dbraw/zinc/06/39/52/273063952.db2.gz HIFBCQHOBSXQHC-WBVHZDCISA-N 1 3 329.448 1.280 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000276311053 273159209 /nfs/dbraw/zinc/15/92/09/273159209.db2.gz UDHPNTMWVJPKMI-GOSISDBHSA-N 1 3 330.476 1.780 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000155627225 287662872 /nfs/dbraw/zinc/66/28/72/287662872.db2.gz ZLBUWXISXNYAAO-OTWHNJEPSA-N 1 3 344.503 1.707 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108190 276375241 /nfs/dbraw/zinc/37/52/41/276375241.db2.gz JUNLBTGBXCYLAA-ULQDDVLXSA-N 1 3 338.496 1.365 20 0 EDADHO COCCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423058368 277232965 /nfs/dbraw/zinc/23/29/65/277232965.db2.gz BYCINJFQNFJOGZ-YDZRNGNQSA-N 1 3 334.460 1.890 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000364850236 277611788 /nfs/dbraw/zinc/61/17/88/277611788.db2.gz KCAAMCFLNBLXJU-MANSERQUSA-N 1 3 348.535 1.534 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC[N@@H+]1C ZINC000426210183 278084361 /nfs/dbraw/zinc/08/43/61/278084361.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CCC[N@H+]1C ZINC000426210183 278084363 /nfs/dbraw/zinc/08/43/63/278084363.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000339921042 278867532 /nfs/dbraw/zinc/86/75/32/278867532.db2.gz CWMGIPBBNAULBA-UHFFFAOYSA-N 1 3 340.512 1.022 20 0 EDADHO Cc1n[nH]c(C)c1[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000182375199 279057194 /nfs/dbraw/zinc/05/71/94/279057194.db2.gz RYHLYJIULNDQEO-ZDUSSCGKSA-N 1 3 347.507 1.805 20 0 EDADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000654720592 452834785 /nfs/dbraw/zinc/83/47/85/452834785.db2.gz XZAMXCXFJMBLSI-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000343176312 279177646 /nfs/dbraw/zinc/17/76/46/279177646.db2.gz ZXDVNLROUKYPBH-CVEARBPZSA-N 1 3 340.512 1.023 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875394 279366116 /nfs/dbraw/zinc/36/61/16/279366116.db2.gz VZRIYEAKSCRXFV-ZWKOTPCHSA-N 1 3 338.540 1.639 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000664175930 452843743 /nfs/dbraw/zinc/84/37/43/452843743.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000664175930 452843751 /nfs/dbraw/zinc/84/37/51/452843751.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@@H](C)O1 ZINC000158107029 288152487 /nfs/dbraw/zinc/15/24/87/288152487.db2.gz NAAONSNPXFFVOD-HZPDHXFCSA-N 1 3 326.481 1.349 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287561159 288265916 /nfs/dbraw/zinc/26/59/16/288265916.db2.gz GEWVVGZGIYJVJO-INIZCTEOSA-N 1 3 342.491 1.944 20 0 EDADHO C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919847 288298090 /nfs/dbraw/zinc/29/80/90/288298090.db2.gz IDFLXYCQGFHSEQ-QAPCUYQASA-N 1 3 334.508 1.288 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CNCCO3)C2)CC1 ZINC000333580280 281821537 /nfs/dbraw/zinc/82/15/37/281821537.db2.gz UBRWRNSCYNWXDW-IRXDYDNUSA-N 1 3 338.496 1.128 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CCC(=O)OC)c1ccccc1 ZINC000290346203 288884008 /nfs/dbraw/zinc/88/40/08/288884008.db2.gz PUTWMWANJPCUHP-JKSUJKDBSA-N 1 3 335.448 1.466 20 0 EDADHO CN1CCCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000291952325 289224283 /nfs/dbraw/zinc/22/42/83/289224283.db2.gz WTAPHHOYFKSARX-UHFFFAOYSA-N 1 3 349.479 1.259 20 0 EDADHO CN(c1ccccc1CNC[C@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000344759694 289785524 /nfs/dbraw/zinc/78/55/24/289785524.db2.gz MISVAKJAEMNFNT-INIZCTEOSA-N 1 3 327.419 1.933 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CCC[NH2+]1 ZINC000417308812 293290146 /nfs/dbraw/zinc/29/01/46/293290146.db2.gz IESAXHUMROBBDH-IEBWSBKVSA-N 1 3 348.491 1.666 20 0 EDADHO CN(C)CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574417 304514462 /nfs/dbraw/zinc/51/44/62/304514462.db2.gz VJLFEESETJVSPC-CZUORRHYSA-N 1 3 340.418 1.613 20 0 EDADHO C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861893 299012027 /nfs/dbraw/zinc/01/20/27/299012027.db2.gz ZBCGEHUEUVOBCZ-ILXRZTDVSA-N 1 3 340.512 1.020 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H](C)C[NH+](C)C)CC2)c1 ZINC000293601120 302990909 /nfs/dbraw/zinc/99/09/09/302990909.db2.gz ASYVOFKFGAUKHM-SFHVURJKSA-N 1 3 346.519 1.821 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000419658742 447326560 /nfs/dbraw/zinc/32/65/60/447326560.db2.gz YTZSXSUDNGLEAS-LSDHHAIUSA-N 1 3 348.491 1.204 20 0 EDADHO O=C(N[C@H]1CCCN(CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598914 303240152 /nfs/dbraw/zinc/24/01/52/303240152.db2.gz WYSUASVDGMRTFM-IBGZPJMESA-N 1 3 345.487 1.859 20 0 EDADHO Cc1cc(C)cc(OCC(=O)N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000297136915 303364285 /nfs/dbraw/zinc/36/42/85/303364285.db2.gz ZABUYXGWQHCXQV-UHFFFAOYSA-N 1 3 345.487 1.826 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000414877683 447339090 /nfs/dbraw/zinc/33/90/90/447339090.db2.gz MMTNSTVHXRYWBM-ZDUSSCGKSA-N 1 3 332.448 1.334 20 0 EDADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423212090 304889564 /nfs/dbraw/zinc/88/95/64/304889564.db2.gz ZQMXVFDKZMCCDE-ZDUSSCGKSA-N 1 3 334.855 1.477 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423298384 304891572 /nfs/dbraw/zinc/89/15/72/304891572.db2.gz OFXZSKUEVJEFHB-KGLIPLIRSA-N 1 3 327.494 1.963 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423943862 304920244 /nfs/dbraw/zinc/92/02/44/304920244.db2.gz GWHWNISLGWYLRV-GOSISDBHSA-N 1 3 330.476 1.394 20 0 EDADHO N[C@@H]1Cc2ccccc2N(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000424074676 304927790 /nfs/dbraw/zinc/92/77/90/304927790.db2.gz KIKAKEHUDIJZMK-CABCVRRESA-N 1 3 325.416 1.338 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000429806711 305037642 /nfs/dbraw/zinc/03/76/42/305037642.db2.gz XLKQJTOOUMNWBM-QAPCUYQASA-N 1 3 336.524 1.392 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)[C@H](C)C1 ZINC000429806711 305037643 /nfs/dbraw/zinc/03/76/43/305037643.db2.gz XLKQJTOOUMNWBM-QAPCUYQASA-N 1 3 336.524 1.392 20 0 EDADHO C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCC(C[NH3+])CC1 ZINC000430648793 305061283 /nfs/dbraw/zinc/06/12/83/305061283.db2.gz HQGXZCARROTAOO-HOCLYGCPSA-N 1 3 347.459 1.344 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000430886308 305066873 /nfs/dbraw/zinc/06/68/73/305066873.db2.gz AQSWRQRRZRGEFF-LJQANCHMSA-N 1 3 349.475 1.259 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000430908998 305067641 /nfs/dbraw/zinc/06/76/41/305067641.db2.gz YLSKLESFZKPZPQ-UHFFFAOYSA-N 1 3 333.476 1.805 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000431000781 305072415 /nfs/dbraw/zinc/07/24/15/305072415.db2.gz RLWLDLOOPZRLPH-UHFFFAOYSA-N 1 3 325.497 1.997 20 0 EDADHO COC1(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062831 305074034 /nfs/dbraw/zinc/07/40/34/305074034.db2.gz UKANYIQTGALDCW-NVXWUHKLSA-N 1 3 331.460 1.707 20 0 EDADHO CN(C)[C@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1ccccc1 ZINC000433116048 305100696 /nfs/dbraw/zinc/10/06/96/305100696.db2.gz LGKAJJLDDBVVLI-GOSISDBHSA-N 1 3 332.492 1.609 20 0 EDADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433326332 305105986 /nfs/dbraw/zinc/10/59/86/305105986.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO CC[N@H+]1CCC[C@@H](CNC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433326332 305105987 /nfs/dbraw/zinc/10/59/87/305105987.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380841 305106924 /nfs/dbraw/zinc/10/69/24/305106924.db2.gz FVABQYDWELBZSF-XUWVNRHRSA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384671 305107141 /nfs/dbraw/zinc/10/71/41/305107141.db2.gz DSLPOTCESUKHFD-IXDOHACOSA-N 1 3 340.512 1.659 20 0 EDADHO COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066167 305234282 /nfs/dbraw/zinc/23/42/82/305234282.db2.gz DMZNDKDYDUBGNE-HUUCEWRRSA-N 1 3 349.475 1.942 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265455 305244946 /nfs/dbraw/zinc/24/49/46/305244946.db2.gz FONQNUXQRHLIET-GPMSIDNRSA-N 1 3 337.508 1.709 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1(C)C ZINC000444265455 305244947 /nfs/dbraw/zinc/24/49/47/305244947.db2.gz FONQNUXQRHLIET-GPMSIDNRSA-N 1 3 337.508 1.709 20 0 EDADHO C[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000444348191 305246474 /nfs/dbraw/zinc/24/64/74/305246474.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 1 3 325.497 1.551 20 0 EDADHO C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)N1[C@H](C)CC[C@@H]1C ZINC000444348191 305246473 /nfs/dbraw/zinc/24/64/73/305246473.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 1 3 325.497 1.551 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621199 305268217 /nfs/dbraw/zinc/26/82/17/305268217.db2.gz VUAWVUKXZHBNIE-OAHLLOKOSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCSC1 ZINC000448250021 305294390 /nfs/dbraw/zinc/29/43/90/305294390.db2.gz RGMHTVXWUBJJDQ-CVEARBPZSA-N 1 3 342.553 1.797 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCSC1 ZINC000448250021 305294391 /nfs/dbraw/zinc/29/43/91/305294391.db2.gz RGMHTVXWUBJJDQ-CVEARBPZSA-N 1 3 342.553 1.797 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](C)CC(=O)NC)CC1 ZINC000449604768 305315181 /nfs/dbraw/zinc/31/51/81/305315181.db2.gz UQUDASVOWNMWGG-MRXNPFEDSA-N 1 3 332.492 1.833 20 0 EDADHO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)C(C)C ZINC000451612742 305356290 /nfs/dbraw/zinc/35/62/90/305356290.db2.gz MSBXYAHTKQJFOC-MJGOQNOKSA-N 1 3 339.524 1.608 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000454612489 305432050 /nfs/dbraw/zinc/43/20/50/305432050.db2.gz SLGLVEAVRBCGTF-KRWDZBQOSA-N 1 3 340.537 1.740 20 0 EDADHO N[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000514672008 305701733 /nfs/dbraw/zinc/70/17/33/305701733.db2.gz GWMYYCLGCLODHR-LMMKCTJWSA-N 1 3 331.460 1.821 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000529319127 305908552 /nfs/dbraw/zinc/90/85/52/305908552.db2.gz FUBNDCOOUNQZEI-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414941467 447364954 /nfs/dbraw/zinc/36/49/54/447364954.db2.gz CQWDADPRSFQTJH-CABCVRRESA-N 1 3 332.448 1.334 20 0 EDADHO C[C@H]1[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CCN1c1ccccc1 ZINC000530405853 305939820 /nfs/dbraw/zinc/93/98/20/305939820.db2.gz OJQVUDNWCPAVCG-PKOBYXMFSA-N 1 3 346.519 1.853 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OCC(F)F)c1 ZINC000535514004 306013846 /nfs/dbraw/zinc/01/38/46/306013846.db2.gz NQUVCYJXXIPXSY-UHFFFAOYSA-N 1 3 344.406 1.291 20 0 EDADHO C[NH+](C)CCOC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536675533 306025154 /nfs/dbraw/zinc/02/51/54/306025154.db2.gz UMQVNVGGCRVZIP-UHFFFAOYSA-N 1 3 347.438 1.949 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000547363270 306099056 /nfs/dbraw/zinc/09/90/56/306099056.db2.gz VWOGYBJNVKLPJG-FUHWJXTLSA-N 1 3 340.512 1.326 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000548459730 306128375 /nfs/dbraw/zinc/12/83/75/306128375.db2.gz KHSXWSANEQEWHL-SJORKVTESA-N 1 3 338.540 1.780 20 0 EDADHO C[C@@H](CCNC(=O)C(=O)N[C@H](CN)C1CCCC1)[NH+]1CCCCC1 ZINC000419716972 447369765 /nfs/dbraw/zinc/36/97/65/447369765.db2.gz SSHBSSGRPSARER-GOEBONIOSA-N 1 3 338.496 1.001 20 0 EDADHO COCC1(CNCc2c(Br)c(C)nn2C)CC[NH2+]CC1 ZINC000414970316 447379015 /nfs/dbraw/zinc/37/90/15/447379015.db2.gz HLZSLFREAROZAH-UHFFFAOYSA-N 1 3 345.285 1.597 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCn1ccc2ccccc21 ZINC000103212349 441178287 /nfs/dbraw/zinc/17/82/87/441178287.db2.gz NYTGSIYULOYRBD-UHFFFAOYSA-N 1 3 330.476 1.983 20 0 EDADHO Cc1nc(C)c(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000074664737 441453816 /nfs/dbraw/zinc/45/38/16/441453816.db2.gz SLTWXNNPYNLQNW-UHFFFAOYSA-N 1 3 327.498 1.395 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCC2)C[C@@H](C)O1 ZINC000066665214 441559250 /nfs/dbraw/zinc/55/92/50/441559250.db2.gz BJEVADFZBAXRTD-TVFCKZIOSA-N 1 3 325.497 1.017 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCC2)C[C@@H](C)O1 ZINC000066665214 441559253 /nfs/dbraw/zinc/55/92/53/441559253.db2.gz BJEVADFZBAXRTD-TVFCKZIOSA-N 1 3 325.497 1.017 20 0 EDADHO COc1ccc(OC(F)F)c(CNCC2(O)CC[NH+](C)CC2)c1 ZINC000077450403 441782265 /nfs/dbraw/zinc/78/22/65/441782265.db2.gz VRJRCCUEZGDSIQ-UHFFFAOYSA-N 1 3 330.375 1.843 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077596935 441812574 /nfs/dbraw/zinc/81/25/74/441812574.db2.gz AORWFWLPIBUCHW-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000077596935 441812579 /nfs/dbraw/zinc/81/25/79/441812579.db2.gz AORWFWLPIBUCHW-UHFFFAOYSA-N 1 3 340.512 1.472 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000126121835 442081295 /nfs/dbraw/zinc/08/12/95/442081295.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 1 3 328.501 1.232 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126121835 442081301 /nfs/dbraw/zinc/08/13/01/442081301.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 1 3 328.501 1.232 20 0 EDADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000164718344 442202201 /nfs/dbraw/zinc/20/22/01/442202201.db2.gz LNAJUHZBHYQLTI-AEFFLSMTSA-N 1 3 349.475 1.801 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000129166424 442304013 /nfs/dbraw/zinc/30/40/13/442304013.db2.gz KUBYUEYXVURUDB-UHFFFAOYSA-N 1 3 332.448 1.145 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](C)N[C@@H](C)C3)CC2)c1 ZINC000153931913 442311386 /nfs/dbraw/zinc/31/13/86/442311386.db2.gz DCJQIEJFOKKEEZ-ROUUACIJSA-N 1 3 344.503 1.716 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000154997357 442369883 /nfs/dbraw/zinc/36/98/83/442369883.db2.gz XCUGPLAWBKZYPM-GOSISDBHSA-N 1 3 344.503 1.916 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000154997357 442369885 /nfs/dbraw/zinc/36/98/85/442369885.db2.gz XCUGPLAWBKZYPM-GOSISDBHSA-N 1 3 344.503 1.916 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000178392222 442429650 /nfs/dbraw/zinc/42/96/50/442429650.db2.gz GAJJBAIMGLSNDV-OAHLLOKOSA-N 1 3 331.526 1.642 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCS(N)(=O)=O)CC1 ZINC000178392222 442429652 /nfs/dbraw/zinc/42/96/52/442429652.db2.gz GAJJBAIMGLSNDV-OAHLLOKOSA-N 1 3 331.526 1.642 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178856757 442504970 /nfs/dbraw/zinc/50/49/70/442504970.db2.gz MMXXWZMZIHOXGR-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178731650 442466179 /nfs/dbraw/zinc/46/61/79/442466179.db2.gz IPEOOEKAJVKZLZ-KRWDZBQOSA-N 1 3 330.476 1.457 20 0 EDADHO Cc1c(C(=O)N2CCC[C@@H]2CN2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000178735842 442469116 /nfs/dbraw/zinc/46/91/16/442469116.db2.gz LUNRPISYGQMZLF-MRXNPFEDSA-N 1 3 346.479 1.211 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000178954019 442537978 /nfs/dbraw/zinc/53/79/78/442537978.db2.gz FXWGCYCNRWDUDP-GOSISDBHSA-N 1 3 344.503 1.623 20 0 EDADHO CN1CCN([C@H]2CCCCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000186459333 442539332 /nfs/dbraw/zinc/53/93/32/442539332.db2.gz OIXDNSHWEACPMC-SFHVURJKSA-N 1 3 330.476 1.387 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186724616 442601599 /nfs/dbraw/zinc/60/15/99/442601599.db2.gz DQKHTYMNIISSRE-IEBWSBKVSA-N 1 3 344.503 1.703 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052889 442705673 /nfs/dbraw/zinc/70/56/73/442705673.db2.gz SCYXFZQKZAIIDR-CRAIPNDOSA-N 1 3 325.497 1.756 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCCCO)CC2)CC1 ZINC000193064445 442709708 /nfs/dbraw/zinc/70/97/08/442709708.db2.gz FYNJCFZOVPLPKS-UHFFFAOYSA-N 1 3 326.485 1.007 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181739424 442713721 /nfs/dbraw/zinc/71/37/21/442713721.db2.gz RELYVLQXPXCVKS-SJORKVTESA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246403467 442779763 /nfs/dbraw/zinc/77/97/63/442779763.db2.gz KDJCVYHMPAGJSB-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246403467 442779767 /nfs/dbraw/zinc/77/97/67/442779767.db2.gz KDJCVYHMPAGJSB-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000178856653 318450678 /nfs/dbraw/zinc/45/06/78/318450678.db2.gz FMYVEDVWGPGCII-XYJFISCASA-N 1 3 337.508 1.724 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000194725334 442943704 /nfs/dbraw/zinc/94/37/04/442943704.db2.gz OGVZXWAXSNXTRW-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO CN1CCN(CCCNC(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000237202125 443163260 /nfs/dbraw/zinc/16/32/60/443163260.db2.gz TWNMSRLKWAQYNU-LJQANCHMSA-N 1 3 344.503 1.481 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236945662 443153703 /nfs/dbraw/zinc/15/37/03/443153703.db2.gz GMYAKBGKXPZPMJ-UHFFFAOYSA-N 1 3 330.480 1.394 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236992622 443154156 /nfs/dbraw/zinc/15/41/56/443154156.db2.gz GKJYTYBTHCKNTG-GOSISDBHSA-N 1 3 330.476 1.782 20 0 EDADHO CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)N1CCCCC1 ZINC000269170652 443221076 /nfs/dbraw/zinc/22/10/76/443221076.db2.gz UFLGABVVSWUWHL-GOSISDBHSA-N 1 3 345.491 1.940 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185700260 443240542 /nfs/dbraw/zinc/24/05/42/443240542.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185700260 443240545 /nfs/dbraw/zinc/24/05/45/443240545.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)CN1CCN(C)CC1 ZINC000262648061 443205785 /nfs/dbraw/zinc/20/57/85/443205785.db2.gz POJYULKXRLXLKM-SOLBZPMBSA-N 1 3 332.492 1.322 20 0 EDADHO CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185730452 443246490 /nfs/dbraw/zinc/24/64/90/443246490.db2.gz UXTPVKGVUIJAOR-GJZGRUSLSA-N 1 3 331.526 1.558 20 0 EDADHO CO[C@](C)([C@@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953664 319216535 /nfs/dbraw/zinc/21/65/35/319216535.db2.gz RZSXIHKERYMOAP-RDTXWAMCSA-N 1 3 325.497 1.769 20 0 EDADHO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414320389 319324826 /nfs/dbraw/zinc/32/48/26/319324826.db2.gz BVISYTQQRYJSIV-CABCVRRESA-N 1 3 333.476 1.897 20 0 EDADHO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414690674 319342811 /nfs/dbraw/zinc/34/28/11/319342811.db2.gz IACHQISHQHHNDP-CVEARBPZSA-N 1 3 333.476 1.755 20 0 EDADHO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414690674 319342813 /nfs/dbraw/zinc/34/28/13/319342813.db2.gz IACHQISHQHHNDP-CVEARBPZSA-N 1 3 333.476 1.755 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)cc1 ZINC000414993155 319344462 /nfs/dbraw/zinc/34/44/62/319344462.db2.gz LEVFYULFYPHMGF-QGZVFWFLSA-N 1 3 346.475 1.581 20 0 EDADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C3CNC3)cc2)CC1 ZINC000415740404 319368912 /nfs/dbraw/zinc/36/89/12/319368912.db2.gz WTIVSUSLUVFPHV-UHFFFAOYSA-N 1 3 344.459 1.287 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000415939721 319383691 /nfs/dbraw/zinc/38/36/91/319383691.db2.gz ZLOYOEBEQSXZNC-QGZVFWFLSA-N 1 3 334.464 1.764 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999998 319388955 /nfs/dbraw/zinc/38/89/55/319388955.db2.gz XJARSLCDYIJUDF-QWHCGFSZSA-N 1 3 332.370 1.868 20 0 EDADHO C[C@@]1(C(=O)NCCCN2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000269472082 443317059 /nfs/dbraw/zinc/31/70/59/443317059.db2.gz YEXVEUPQNYSBNN-LJQANCHMSA-N 1 3 345.491 1.100 20 0 EDADHO CN(CCNC(=O)NCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000264874078 443461758 /nfs/dbraw/zinc/46/17/58/443461758.db2.gz PRZAWPZAMGTCNF-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO NC(=O)C1CCN(C[C@@H](NCCC[NH3+])c2ccc(Cl)cc2)CC1 ZINC000423187077 319755507 /nfs/dbraw/zinc/75/55/07/319755507.db2.gz KULZWRWOVXDPPM-MRXNPFEDSA-N 1 3 338.883 1.517 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268407 319760737 /nfs/dbraw/zinc/76/07/37/319760737.db2.gz DOBDKWIUPOVBGP-IAOVAPTHSA-N 1 3 337.489 1.819 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CN1C1CC1 ZINC000441397967 320094165 /nfs/dbraw/zinc/09/41/65/320094165.db2.gz RPBQRAWZYXDJCJ-LSDHHAIUSA-N 1 3 338.496 1.364 20 0 EDADHO CCN1C[C@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CC1=O ZINC000449517638 320193221 /nfs/dbraw/zinc/19/32/21/320193221.db2.gz LALVWMNYPKWYCI-QGZVFWFLSA-N 1 3 330.476 1.539 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000457480541 320327481 /nfs/dbraw/zinc/32/74/81/320327481.db2.gz JMAPQXVHSUJZSW-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO N[C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)Cc1ccccc1 ZINC000517930915 320453166 /nfs/dbraw/zinc/45/31/66/320453166.db2.gz RXJVONGHUUASPX-GOSISDBHSA-N 1 3 345.487 1.708 20 0 EDADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000298540210 443794484 /nfs/dbraw/zinc/79/44/84/443794484.db2.gz SWQYGYJGYMBQJG-HNNXBMFYSA-N 1 3 334.416 1.371 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000298425653 443766304 /nfs/dbraw/zinc/76/63/04/443766304.db2.gz SWUTUXBCPPBPKC-UHFFFAOYSA-N 1 3 337.464 1.527 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000299539126 444073743 /nfs/dbraw/zinc/07/37/43/444073743.db2.gz WARZLNCKTVQYPA-MRXNPFEDSA-N 1 3 332.492 1.897 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188116 321035770 /nfs/dbraw/zinc/03/57/70/321035770.db2.gz IPWQHECRZBSDRP-NJAFHUGGSA-N 1 3 330.476 1.806 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCO[C@@H](C)C3)CC2)CC1 ZINC000563375280 321106653 /nfs/dbraw/zinc/10/66/53/321106653.db2.gz FVFCAJRCNZTANK-INIZCTEOSA-N 1 3 337.508 1.820 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C)c3C)CC2)CC1 ZINC000563380178 321107224 /nfs/dbraw/zinc/10/72/24/321107224.db2.gz CKWIXGMQRHDTGV-UHFFFAOYSA-N 1 3 333.480 1.863 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057723 321212791 /nfs/dbraw/zinc/21/27/91/321212791.db2.gz MWEBLEFWXUFEQQ-CGTJXYLNSA-N 1 3 348.466 1.912 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000566176494 321221298 /nfs/dbraw/zinc/22/12/98/321221298.db2.gz NPBXDICCWJFMRZ-LSDHHAIUSA-N 1 3 325.522 1.852 20 0 EDADHO C[N@H+](C[C@H](O)CNC[C@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093022 321337448 /nfs/dbraw/zinc/33/74/48/321337448.db2.gz DNPVQRNJMOXWQH-TZMCWYRMSA-N 1 3 344.858 1.675 20 0 EDADHO C[N@@H+](C[C@H](O)CNC[C@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093022 321337449 /nfs/dbraw/zinc/33/74/49/321337449.db2.gz DNPVQRNJMOXWQH-TZMCWYRMSA-N 1 3 344.858 1.675 20 0 EDADHO CC1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030089 321368145 /nfs/dbraw/zinc/36/81/45/321368145.db2.gz RUZZWLBUCCMIFX-KRWDZBQOSA-N 1 3 330.476 1.950 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000572346939 321427102 /nfs/dbraw/zinc/42/71/02/321427102.db2.gz GTOYHTDWYQELDF-QGZVFWFLSA-N 1 3 325.416 1.706 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000289554351 444170841 /nfs/dbraw/zinc/17/08/41/444170841.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 1 3 331.504 1.942 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000289451354 444147720 /nfs/dbraw/zinc/14/77/20/444147720.db2.gz NDVHMOBNSDEULD-BBWFWOEESA-N 1 3 334.460 1.768 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000289451354 444147724 /nfs/dbraw/zinc/14/77/24/444147724.db2.gz NDVHMOBNSDEULD-BBWFWOEESA-N 1 3 334.460 1.768 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327675 444149362 /nfs/dbraw/zinc/14/93/62/444149362.db2.gz FNARJBIWZDSXBV-MTNOOBJLSA-N 1 3 345.487 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327675 444149364 /nfs/dbraw/zinc/14/93/64/444149364.db2.gz FNARJBIWZDSXBV-MTNOOBJLSA-N 1 3 345.487 1.985 20 0 EDADHO COC(=O)c1ccc([C@@H](C)N(C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504519 444160794 /nfs/dbraw/zinc/16/07/94/444160794.db2.gz ULBLNTIYBVDRLU-CQSZACIVSA-N 1 3 325.453 1.943 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289614373 444181190 /nfs/dbraw/zinc/18/11/90/444181190.db2.gz VYECEXDQCAZEGL-DZUCGIPZSA-N 1 3 328.412 1.986 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289614373 444181193 /nfs/dbraw/zinc/18/11/93/444181193.db2.gz VYECEXDQCAZEGL-DZUCGIPZSA-N 1 3 328.412 1.986 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000290053110 444235588 /nfs/dbraw/zinc/23/55/88/444235588.db2.gz FFOQYCNXYBMFPY-QZTJIDSGSA-N 1 3 333.476 1.877 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000318982583 444321853 /nfs/dbraw/zinc/32/18/53/444321853.db2.gz IVHSZGJVXFUPOM-UHFFFAOYSA-N 1 3 325.478 1.498 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334896 321759723 /nfs/dbraw/zinc/75/97/23/321759723.db2.gz YNWRFVRCNWQLKV-CZUORRHYSA-N 1 3 328.526 1.501 20 0 EDADHO CC(C)N1CCC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000340504133 444414550 /nfs/dbraw/zinc/41/45/50/444414550.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 1 3 331.504 1.868 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000340504133 444414554 /nfs/dbraw/zinc/41/45/54/444414554.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 1 3 331.504 1.868 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000580554664 322066347 /nfs/dbraw/zinc/06/63/47/322066347.db2.gz XFPBQRGXUFDOCL-ZACQAIPSSA-N 1 3 327.513 1.826 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC000580554664 322066348 /nfs/dbraw/zinc/06/63/48/322066348.db2.gz XFPBQRGXUFDOCL-ZACQAIPSSA-N 1 3 327.513 1.826 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000580902568 322110971 /nfs/dbraw/zinc/11/09/71/322110971.db2.gz KGYSITLPKZWXGM-MGPQQGTHSA-N 1 3 343.518 1.618 20 0 EDADHO CN(CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000332850348 444573116 /nfs/dbraw/zinc/57/31/16/444573116.db2.gz VISXOZNPZVLVRU-DLBZAZTESA-N 1 3 338.496 1.148 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957688 444597488 /nfs/dbraw/zinc/59/74/88/444597488.db2.gz IXTUYODWZOEMIZ-KRWDZBQOSA-N 1 3 348.491 1.950 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(O)cc1 ZINC000340957688 444597492 /nfs/dbraw/zinc/59/74/92/444597492.db2.gz IXTUYODWZOEMIZ-KRWDZBQOSA-N 1 3 348.491 1.950 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1c[nH]nc1C ZINC000343907355 444660833 /nfs/dbraw/zinc/66/08/33/444660833.db2.gz ONBRBRPPJJXLEL-INIZCTEOSA-N 1 3 336.484 1.276 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1c[nH]nc1C ZINC000343907355 444660837 /nfs/dbraw/zinc/66/08/37/444660837.db2.gz ONBRBRPPJJXLEL-INIZCTEOSA-N 1 3 336.484 1.276 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)CC[N@@H+]1C ZINC000341082624 444664363 /nfs/dbraw/zinc/66/43/63/444664363.db2.gz HQUAIGPVXZKKJZ-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)CC[N@H+]1C ZINC000341082624 444664367 /nfs/dbraw/zinc/66/43/67/444664367.db2.gz HQUAIGPVXZKKJZ-RDJZCZTQSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCN1C ZINC000333440289 444670902 /nfs/dbraw/zinc/67/09/02/444670902.db2.gz VZKJZMRUPMQYPC-YIYWWNGQSA-N 1 3 334.508 1.922 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341098231 444672702 /nfs/dbraw/zinc/67/27/02/444672702.db2.gz YRJCNDQZOJVUFS-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341098231 444672703 /nfs/dbraw/zinc/67/27/03/444672703.db2.gz YRJCNDQZOJVUFS-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938354 444680962 /nfs/dbraw/zinc/68/09/62/444680962.db2.gz QFLAQANUAPEGDF-FGTMMUONSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938354 444680967 /nfs/dbraw/zinc/68/09/67/444680967.db2.gz QFLAQANUAPEGDF-FGTMMUONSA-N 1 3 336.524 1.344 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341319 444641920 /nfs/dbraw/zinc/64/19/20/444641920.db2.gz SUICPGDVDIZEQK-WMLDXEAASA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000333946307 444725808 /nfs/dbraw/zinc/72/58/08/444725808.db2.gz UMRFRCAUMNEWGD-KFWWJZLASA-N 1 3 326.485 1.031 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1(C)C ZINC000344138531 444802146 /nfs/dbraw/zinc/80/21/46/444802146.db2.gz NQFFWWSDAKGLMS-DLBZAZTESA-N 1 3 327.513 1.170 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000342766474 444855753 /nfs/dbraw/zinc/85/57/53/444855753.db2.gz VGZSZFXHKNUUQQ-QAPCUYQASA-N 1 3 333.476 1.674 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341544196 444885591 /nfs/dbraw/zinc/88/55/91/444885591.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO CCN(C)CCNC(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000341544196 444885595 /nfs/dbraw/zinc/88/55/95/444885595.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@@H]1COCCN1CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000337266370 445009614 /nfs/dbraw/zinc/00/96/14/445009614.db2.gz ZCRSWAFBUREEDM-HOJAQTOUSA-N 1 3 329.488 1.771 20 0 EDADHO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCCN2CCN(C(C)C)CC2)cnn1C ZINC000337357917 445046882 /nfs/dbraw/zinc/04/68/82/445046882.db2.gz CXUIKUIAOBDMLP-RBUKOAKNSA-N 1 3 349.523 1.564 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000339762699 445167814 /nfs/dbraw/zinc/16/78/14/445167814.db2.gz WJUCONIKPMEWQH-RBUKOAKNSA-N 1 3 339.524 1.312 20 0 EDADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000343270867 445171193 /nfs/dbraw/zinc/17/11/93/445171193.db2.gz ARVKOVPCXQWPDB-MOPGFXCFSA-N 1 3 348.535 1.491 20 0 EDADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000343216154 445143618 /nfs/dbraw/zinc/14/36/18/445143618.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 1 3 348.535 1.491 20 0 EDADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000343216154 445143623 /nfs/dbraw/zinc/14/36/23/445143623.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 1 3 348.535 1.491 20 0 EDADHO CN1CCC[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339548151 445149269 /nfs/dbraw/zinc/14/92/69/445149269.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 1 3 349.523 1.033 20 0 EDADHO CN1CCC[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339548151 445149270 /nfs/dbraw/zinc/14/92/70/445149270.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 1 3 349.523 1.033 20 0 EDADHO CCC[C@@H](C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000343338812 445204901 /nfs/dbraw/zinc/20/49/01/445204901.db2.gz LSBKICHSSHDAFL-SFHVURJKSA-N 1 3 347.507 1.440 20 0 EDADHO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000343425295 445220189 /nfs/dbraw/zinc/22/01/89/445220189.db2.gz VNXFTRUIWWJYKB-FXAWDEMLSA-N 1 3 330.520 1.864 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000345874443 445201132 /nfs/dbraw/zinc/20/11/32/445201132.db2.gz FYWFFQVPEIAMLJ-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@@H](C)C1 ZINC000346819210 445226231 /nfs/dbraw/zinc/22/62/31/445226231.db2.gz ICLMLZACXZWGKX-DOTOQJQBSA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)C2CCN(C)CC2)[C@@H](C)C1 ZINC000346819210 445226232 /nfs/dbraw/zinc/22/62/32/445226232.db2.gz ICLMLZACXZWGKX-DOTOQJQBSA-N 1 3 325.497 1.581 20 0 EDADHO O=C1CCCN1C[C@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249606 /nfs/dbraw/zinc/24/96/06/445249606.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 1 3 343.471 1.034 20 0 EDADHO O=C1CCCN1C[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348304413 445249608 /nfs/dbraw/zinc/24/96/08/445249608.db2.gz HQWWKUQQWKAMSX-CEXWTWQISA-N 1 3 343.471 1.034 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)N(C)C1 ZINC000347888119 445254116 /nfs/dbraw/zinc/25/41/16/445254116.db2.gz LZFNONVGBGEBGN-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC000348324473 445256842 /nfs/dbraw/zinc/25/68/42/445256842.db2.gz XTSGQFRVXNOTKD-RCCFBDPRSA-N 1 3 327.513 1.170 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348324473 445256847 /nfs/dbraw/zinc/25/68/47/445256847.db2.gz XTSGQFRVXNOTKD-RCCFBDPRSA-N 1 3 327.513 1.170 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000348126557 445282526 /nfs/dbraw/zinc/28/25/26/445282526.db2.gz JYOPTJCVHUPPRV-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](OC)C[C@H]1CN1CCCC1 ZINC000348126557 445282529 /nfs/dbraw/zinc/28/25/29/445282529.db2.gz JYOPTJCVHUPPRV-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000351808796 445328979 /nfs/dbraw/zinc/32/89/79/445328979.db2.gz LPSBFJLNQRSTCO-WBVHZDCISA-N 1 3 340.512 1.611 20 0 EDADHO Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c(CN(C)C)c1 ZINC000354692253 445342547 /nfs/dbraw/zinc/34/25/47/445342547.db2.gz MXMDSOMYVOLMDP-INIZCTEOSA-N 1 3 332.448 1.253 20 0 EDADHO C[C@H]1CN(C(=O)NCc2cccc(OCCN(C)C)c2)C[C@H]1[NH+](C)C ZINC000362653586 445480102 /nfs/dbraw/zinc/48/01/02/445480102.db2.gz BQWCYWSXXMQYKQ-MAUKXSAKSA-N 1 3 348.491 1.719 20 0 EDADHO C[C@@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000357254790 445510181 /nfs/dbraw/zinc/51/01/81/445510181.db2.gz ZJMFVRIWNPBPLM-CQSZACIVSA-N 1 3 331.460 1.115 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000362771526 445541936 /nfs/dbraw/zinc/54/19/36/445541936.db2.gz YSDIRPKHCJGGOU-RDJZCZTQSA-N 1 3 333.480 1.004 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000362771526 445541943 /nfs/dbraw/zinc/54/19/43/445541943.db2.gz YSDIRPKHCJGGOU-RDJZCZTQSA-N 1 3 333.480 1.004 20 0 EDADHO COCCCN1CCCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000362920628 445610391 /nfs/dbraw/zinc/61/03/91/445610391.db2.gz PAFBVEYBLLBMAE-UHFFFAOYSA-N 1 3 340.512 1.616 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353501256 445631110 /nfs/dbraw/zinc/63/11/10/445631110.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 1 3 336.524 1.392 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC2CCN(c3nccs3)CC2)CC1 ZINC000358692866 445720830 /nfs/dbraw/zinc/72/08/30/445720830.db2.gz YQHSYORQGYBXCY-MRXNPFEDSA-N 1 3 338.521 1.794 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000349899635 445715854 /nfs/dbraw/zinc/71/58/54/445715854.db2.gz WLZBWPSBMLUEKR-IXDOHACOSA-N 1 3 325.497 1.819 20 0 EDADHO CSC1(CNC(=O)N2CCN(C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000360691211 445722793 /nfs/dbraw/zinc/72/27/93/445722793.db2.gz HQFGOQWZFDLNHC-AWEZNQCLSA-N 1 3 328.526 1.549 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353802964 445762588 /nfs/dbraw/zinc/76/25/88/445762588.db2.gz OEQCGCSYHOUYII-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO C[C@H]1C[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849433 445808905 /nfs/dbraw/zinc/80/89/05/445808905.db2.gz CMWKPSOQPYZMGP-GOEBONIOSA-N 1 3 331.460 1.970 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350625126 445861210 /nfs/dbraw/zinc/86/12/10/445861210.db2.gz FIGCNBAHUNXSBQ-HNNXBMFYSA-N 1 3 342.528 1.268 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1Cl ZINC000361723208 445899214 /nfs/dbraw/zinc/89/92/14/445899214.db2.gz MJJPFTLNHLLHOH-HNNXBMFYSA-N 1 3 329.803 1.921 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372903855 445912866 /nfs/dbraw/zinc/91/28/66/445912866.db2.gz QECHPOTXMGCIGT-WFXMFSGNSA-N 1 3 337.508 1.709 20 0 EDADHO CCN1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000361747547 445913026 /nfs/dbraw/zinc/91/30/26/445913026.db2.gz BYBDCTWVUDZNKL-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO OC1(CN2CCOCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000372907075 445913756 /nfs/dbraw/zinc/91/37/56/445913756.db2.gz VWDUVTCNCZXBJN-UHFFFAOYSA-N 1 3 325.497 1.022 20 0 EDADHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000583500064 326085025 /nfs/dbraw/zinc/08/50/25/326085025.db2.gz LCQCHSRHQVKUAR-CABCVRRESA-N 1 3 349.475 1.912 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351436811 446066033 /nfs/dbraw/zinc/06/60/33/446066033.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 1 3 325.497 1.458 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@H](C)N(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351436811 446066037 /nfs/dbraw/zinc/06/60/37/446066037.db2.gz ARACIODCZFOYMZ-ZMSDIMECSA-N 1 3 325.497 1.458 20 0 EDADHO C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359236280 446067617 /nfs/dbraw/zinc/06/76/17/446067617.db2.gz ONXKLQNUQKZSTE-MRXNPFEDSA-N 1 3 331.464 1.392 20 0 EDADHO CCNC(=O)COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000373187817 446086148 /nfs/dbraw/zinc/08/61/48/446086148.db2.gz OYUUZHJHLQRUQV-ALOPSCKCSA-N 1 3 331.460 1.916 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000365602821 446269900 /nfs/dbraw/zinc/26/99/00/446269900.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000365602821 446269902 /nfs/dbraw/zinc/26/99/02/446269902.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 1 3 343.487 1.552 20 0 EDADHO C[C@@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310733 /nfs/dbraw/zinc/31/07/33/446310733.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 1 3 325.497 1.553 20 0 EDADHO C[C@@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310739 /nfs/dbraw/zinc/31/07/39/446310739.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 1 3 325.497 1.553 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCNC(C)(C)C2)[C@@H](C)C1 ZINC000417670594 446369899 /nfs/dbraw/zinc/36/98/99/446369899.db2.gz OJUKUQJRKAZFGC-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCNC(C)(C)C2)[C@@H](C)C1 ZINC000417670594 446369903 /nfs/dbraw/zinc/36/99/03/446369903.db2.gz OJUKUQJRKAZFGC-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731070 446371634 /nfs/dbraw/zinc/37/16/34/446371634.db2.gz FGTZJXVKQSBVSP-PNBKFKSVSA-N 1 3 348.516 1.992 20 0 EDADHO Cc1ccc([C@H](N)C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000417832935 446374177 /nfs/dbraw/zinc/37/41/77/446374177.db2.gz IYIGNHVNQUTABS-ABHNRTSZSA-N 1 3 330.476 1.327 20 0 EDADHO Cc1ccc([C@H](N)C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000417832935 446374183 /nfs/dbraw/zinc/37/41/83/446374183.db2.gz IYIGNHVNQUTABS-ABHNRTSZSA-N 1 3 330.476 1.327 20 0 EDADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379684 /nfs/dbraw/zinc/37/96/84/446379684.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 1 3 327.513 1.434 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000417926663 446388125 /nfs/dbraw/zinc/38/81/25/446388125.db2.gz DULJRKRJIGLSKL-PBHICJAKSA-N 1 3 333.480 1.890 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000365887016 446388255 /nfs/dbraw/zinc/38/82/55/446388255.db2.gz SNPYXASVVMWVKN-YOEHRIQHSA-N 1 3 329.460 1.162 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418187917 446452576 /nfs/dbraw/zinc/45/25/76/446452576.db2.gz FQXIOYHDHOWIQA-OAHLLOKOSA-N 1 3 349.479 1.211 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCn1cc(Br)ccc1=O ZINC000423142687 446437632 /nfs/dbraw/zinc/43/76/32/446437632.db2.gz BEZIRVTUYZAXBV-AAEUAGOBSA-N 1 3 328.254 1.589 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417981811 446406436 /nfs/dbraw/zinc/40/64/36/446406436.db2.gz ANVDCYOAONQWHZ-MAUKXSAKSA-N 1 3 346.475 1.052 20 0 EDADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)CC1 ZINC000366907164 446406911 /nfs/dbraw/zinc/40/69/11/446406911.db2.gz AXDWNMJCRIFGJY-MSOLQXFVSA-N 1 3 349.519 1.964 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C[NH2+]C)cc2)CC1 ZINC000366942760 446420547 /nfs/dbraw/zinc/42/05/47/446420547.db2.gz HFCXZPSWTITRHI-WMZOPIPTSA-N 1 3 348.466 1.601 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418190877 446454352 /nfs/dbraw/zinc/45/43/52/446454352.db2.gz KAGJUROGHLKRLV-ZBFHGGJFSA-N 1 3 349.479 1.339 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000420297474 446459409 /nfs/dbraw/zinc/45/94/09/446459409.db2.gz FYJKWSWUJKPUIL-KZNAEPCWSA-N 1 3 336.524 1.108 20 0 EDADHO c1cc(N2CC[NH2+]CC2)cnc1N[C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000423234549 446460941 /nfs/dbraw/zinc/46/09/41/446460941.db2.gz QAWGBPVNVJSOBR-BBWFWOEESA-N 1 3 331.464 1.060 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277159 446471823 /nfs/dbraw/zinc/47/18/23/446471823.db2.gz NSMLZEDOWQXFLY-XKQJLSEDSA-N 1 3 337.489 1.819 20 0 EDADHO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000420315246 446480014 /nfs/dbraw/zinc/48/00/14/446480014.db2.gz KXIBLEBVUVASGG-FGTMMUONSA-N 1 3 336.524 1.299 20 0 EDADHO CC[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000423326920 446489556 /nfs/dbraw/zinc/48/95/56/446489556.db2.gz MNVYITAVVRPXKW-AZUAARDMSA-N 1 3 345.487 1.566 20 0 EDADHO O=C(Cc1cccc(F)c1)N1CCCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420323841 446489643 /nfs/dbraw/zinc/48/96/43/446489643.db2.gz UMIULVNJWNITJC-INIZCTEOSA-N 1 3 333.451 1.902 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325504 446491752 /nfs/dbraw/zinc/49/17/52/446491752.db2.gz IONHDIZWDFSJIL-IAGOWNOFSA-N 1 3 325.497 1.487 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370176 446505048 /nfs/dbraw/zinc/50/50/48/446505048.db2.gz UHPSMQNSIXQYMK-OAGGEKHMSA-N 1 3 347.507 1.737 20 0 EDADHO NC[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334987 446505158 /nfs/dbraw/zinc/50/51/58/446505158.db2.gz UQLCQCKESLSUSH-QGZVFWFLSA-N 1 3 337.508 1.760 20 0 EDADHO NC[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334987 446505160 /nfs/dbraw/zinc/50/51/60/446505160.db2.gz UQLCQCKESLSUSH-QGZVFWFLSA-N 1 3 337.508 1.760 20 0 EDADHO [NH3+]C[C@@H]1CN(CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334987 446505164 /nfs/dbraw/zinc/50/51/64/446505164.db2.gz UQLCQCKESLSUSH-QGZVFWFLSA-N 1 3 337.508 1.760 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000423388643 446514194 /nfs/dbraw/zinc/51/41/94/446514194.db2.gz UIOMNGCNCFJCAW-QAPCUYQASA-N 1 3 333.476 1.674 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389854 446564424 /nfs/dbraw/zinc/56/44/24/446564424.db2.gz YYZFZNKXFXIRRV-GOSISDBHSA-N 1 3 329.448 1.981 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389854 446564428 /nfs/dbraw/zinc/56/44/28/446564428.db2.gz YYZFZNKXFXIRRV-GOSISDBHSA-N 1 3 329.448 1.981 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)CN ZINC000420359792 446540063 /nfs/dbraw/zinc/54/00/63/446540063.db2.gz WCVQAIVLSMSGFU-LBPRGKRZSA-N 1 3 330.226 1.029 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)CN ZINC000420359792 446540065 /nfs/dbraw/zinc/54/00/65/446540065.db2.gz WCVQAIVLSMSGFU-LBPRGKRZSA-N 1 3 330.226 1.029 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418507794 446572089 /nfs/dbraw/zinc/57/20/89/446572089.db2.gz JPXUYVIRUOSPJY-IYBDPMFKSA-N 1 3 340.512 1.646 20 0 EDADHO CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418521288 446580112 /nfs/dbraw/zinc/58/01/12/446580112.db2.gz IGUYYTPPXCYPRG-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000418587861 446603463 /nfs/dbraw/zinc/60/34/63/446603463.db2.gz RITOQPNCEXPJQN-ZIFCJYIRSA-N 1 3 346.475 1.193 20 0 EDADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658140 446637022 /nfs/dbraw/zinc/63/70/22/446637022.db2.gz JCSBGXCWBJRSDI-CENPHQPOSA-N 1 3 334.508 1.746 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)C2(N)Cc3ccccc3C2)CC1 ZINC000376719862 446676332 /nfs/dbraw/zinc/67/63/32/446676332.db2.gz FOSFBTZAZSHDLM-UHFFFAOYSA-N 1 3 331.460 1.100 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418674210 446644374 /nfs/dbraw/zinc/64/43/74/446644374.db2.gz PXLYHYWEAUWACC-PIIMJCKOSA-N 1 3 330.476 1.410 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000418681758 446647037 /nfs/dbraw/zinc/64/70/37/446647037.db2.gz ZCJNAGXRKKDLEU-CQSZACIVSA-N 1 3 335.452 1.439 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629625 446621676 /nfs/dbraw/zinc/62/16/76/446621676.db2.gz DKRNNVNDISVUPV-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)CC1 ZINC000368060673 446624419 /nfs/dbraw/zinc/62/44/19/446624419.db2.gz VFHBNHDDBAEJNH-RTBURBONSA-N 1 3 338.540 1.198 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)CC1 ZINC000368060673 446624425 /nfs/dbraw/zinc/62/44/25/446624425.db2.gz VFHBNHDDBAEJNH-RTBURBONSA-N 1 3 338.540 1.198 20 0 EDADHO CN(CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627375 446704132 /nfs/dbraw/zinc/70/41/32/446704132.db2.gz RBENMHRJAXWJNH-QGZVFWFLSA-N 1 3 345.491 1.194 20 0 EDADHO CC[NH+](CC)CCCN1CCN(CCN2CCCOCC2)CC1 ZINC000375335867 446729067 /nfs/dbraw/zinc/72/90/67/446729067.db2.gz GOHFXNIYHOAIFY-UHFFFAOYSA-N 1 3 326.529 1.058 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758969 446679060 /nfs/dbraw/zinc/67/90/60/446679060.db2.gz KAJIKGBQDWDEOW-AEGPPILISA-N 1 3 342.434 1.642 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000418758969 446679064 /nfs/dbraw/zinc/67/90/64/446679064.db2.gz KAJIKGBQDWDEOW-AEGPPILISA-N 1 3 342.434 1.642 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423894654 446748177 /nfs/dbraw/zinc/74/81/77/446748177.db2.gz LZLJIVABABWLNE-SJLPKXTDSA-N 1 3 331.460 1.948 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903623 446754598 /nfs/dbraw/zinc/75/45/98/446754598.db2.gz NFKTVBRMDYCTPD-MCNSXXNHSA-N 1 3 349.519 1.994 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903623 446754604 /nfs/dbraw/zinc/75/46/04/446754604.db2.gz NFKTVBRMDYCTPD-MCNSXXNHSA-N 1 3 349.519 1.994 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861848 446758065 /nfs/dbraw/zinc/75/80/65/446758065.db2.gz NQVDAWBMKMYOGN-DLBZAZTESA-N 1 3 346.475 1.039 20 0 EDADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@H](CC)C1 ZINC000418873703 446765527 /nfs/dbraw/zinc/76/55/27/446765527.db2.gz YJKBNYGEVFNJFT-HNNXBMFYSA-N 1 3 340.512 1.119 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CCOCC1 ZINC000375398901 446773900 /nfs/dbraw/zinc/77/39/00/446773900.db2.gz BAMIRNYCIJSCKB-SFHVURJKSA-N 1 3 345.487 1.565 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)C2CCN(C3CC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000424005466 446818138 /nfs/dbraw/zinc/81/81/38/446818138.db2.gz AFEINQITAHKKSG-ZWKOTPCHSA-N 1 3 331.435 1.953 20 0 EDADHO C[NH2+]CCCN(C)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000424015814 446823691 /nfs/dbraw/zinc/82/36/91/446823691.db2.gz APRQCMQVVOIFJI-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368400527 446839553 /nfs/dbraw/zinc/83/95/53/446839553.db2.gz TZROJOWKOYVFCE-ALOPSCKCSA-N 1 3 329.444 1.179 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000424451689 446873388 /nfs/dbraw/zinc/87/33/88/446873388.db2.gz CGSVGNZHRBWCFB-OAHLLOKOSA-N 1 3 346.475 1.773 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419080381 446911013 /nfs/dbraw/zinc/91/10/13/446911013.db2.gz PEAOUIRCXUKSFI-HZPDHXFCSA-N 1 3 340.512 1.199 20 0 EDADHO COCCN(C)CCNC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371522671 446911573 /nfs/dbraw/zinc/91/15/73/446911573.db2.gz CSHXRMSSKKSVJB-UHFFFAOYSA-N 1 3 349.479 1.270 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000419105931 446926408 /nfs/dbraw/zinc/92/64/08/446926408.db2.gz IZQUJNVGPRBKGD-HNNXBMFYSA-N 1 3 348.491 1.257 20 0 EDADHO C[C@@H]1COCCN1CCN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375626274 446934133 /nfs/dbraw/zinc/93/41/33/446934133.db2.gz RRKCJNMDQSZWSE-GOSISDBHSA-N 1 3 346.519 1.741 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634263 446940282 /nfs/dbraw/zinc/94/02/82/446940282.db2.gz HIRRKARDPHQBKY-ZQOJQMTGSA-N 1 3 335.492 1.382 20 0 EDADHO CO[C@@H]1[C@H]2C[C@H]3CN(CC(=O)NC4CC[NH+](C(C)C)CC4)[C@H]1[C@H]3C2 ZINC000375741152 447014743 /nfs/dbraw/zinc/01/47/43/447014743.db2.gz CNZPTGATTULWON-NZMUHZMNSA-N 1 3 335.492 1.331 20 0 EDADHO CN(C)CCN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1CC1 ZINC000377322544 447064091 /nfs/dbraw/zinc/06/40/91/447064091.db2.gz PXTKFSLTQDYVOJ-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CN(C[C@H](O)COc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829254 447086231 /nfs/dbraw/zinc/08/62/31/447086231.db2.gz FSRUGZJDPYIOFK-MOPGFXCFSA-N 1 3 347.503 1.527 20 0 EDADHO CN(C[C@H](O)COc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829254 447086236 /nfs/dbraw/zinc/08/62/36/447086236.db2.gz FSRUGZJDPYIOFK-MOPGFXCFSA-N 1 3 347.503 1.527 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419412638 447159811 /nfs/dbraw/zinc/15/98/11/447159811.db2.gz RBXFDQJEFQAJJR-OAHLLOKOSA-N 1 3 340.512 1.247 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000419412638 447159817 /nfs/dbraw/zinc/15/98/17/447159817.db2.gz RBXFDQJEFQAJJR-OAHLLOKOSA-N 1 3 340.512 1.247 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000419415994 447162144 /nfs/dbraw/zinc/16/21/44/447162144.db2.gz VPDFRLGTRAXHPL-HNNXBMFYSA-N 1 3 346.475 1.171 20 0 EDADHO CCOCC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000375942332 447165272 /nfs/dbraw/zinc/16/52/72/447165272.db2.gz PEYATOSIKFHEGP-JZXOWHBKSA-N 1 3 328.497 1.595 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccnn1CCN(C)C ZINC000455645138 447194497 /nfs/dbraw/zinc/19/44/97/447194497.db2.gz GXBAKDMRPAVKLQ-UHFFFAOYSA-N 1 3 336.484 1.784 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000377560114 447205419 /nfs/dbraw/zinc/20/54/19/447205419.db2.gz DBHODWKGLMIEJD-INIZCTEOSA-N 1 3 339.480 1.237 20 0 EDADHO CN1C[C@@H]2CCCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000425633293 447248997 /nfs/dbraw/zinc/24/89/97/447248997.db2.gz ATDUHEGOWCUAAY-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)NC1CC([NH+]2CCCCC2)C1 ZINC000458729146 447464926 /nfs/dbraw/zinc/46/49/26/447464926.db2.gz GRZJYTDWPKMDEK-AQFXKWCLSA-N 1 3 338.496 1.149 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H](C)C[NH2+]C)c2)CC1 ZINC000415499386 447482579 /nfs/dbraw/zinc/48/25/79/447482579.db2.gz OOYCUOKTBHNQSF-OAHLLOKOSA-N 1 3 333.480 1.806 20 0 EDADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000416206662 447536875 /nfs/dbraw/zinc/53/68/75/447536875.db2.gz BFNRVBZFBNUICG-VQIMIIECSA-N 1 3 347.503 1.983 20 0 EDADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000416206662 447536882 /nfs/dbraw/zinc/53/68/82/447536882.db2.gz BFNRVBZFBNUICG-VQIMIIECSA-N 1 3 347.503 1.983 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCCN1CCO ZINC000416245373 447546975 /nfs/dbraw/zinc/54/69/75/447546975.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 1 3 345.487 1.398 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCCN1CCO ZINC000416245373 447546980 /nfs/dbraw/zinc/54/69/80/447546980.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 1 3 345.487 1.398 20 0 EDADHO O=C([C@@H]1CCCN1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156242 447554554 /nfs/dbraw/zinc/55/45/54/447554554.db2.gz XIUFALCFSYKNJW-ROUUACIJSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000398192198 447556227 /nfs/dbraw/zinc/55/62/27/447556227.db2.gz ZULCNDDGHVFCLA-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)CNC1 ZINC000398192198 447556233 /nfs/dbraw/zinc/55/62/33/447556233.db2.gz ZULCNDDGHVFCLA-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO O=C(C[C@H]1CC[NH2+]C1)NCCCCN1CCN(c2ccccc2)CC1 ZINC000427269399 447571433 /nfs/dbraw/zinc/57/14/33/447571433.db2.gz JOUWAKSLBJRNEW-GOSISDBHSA-N 1 3 344.503 1.705 20 0 EDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431269 447573750 /nfs/dbraw/zinc/57/37/50/447573750.db2.gz JWPDEZNERQDNRB-LSDHHAIUSA-N 1 3 329.485 1.942 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000457636017 447605381 /nfs/dbraw/zinc/60/53/81/447605381.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000457636017 447605387 /nfs/dbraw/zinc/60/53/87/447605387.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416850603 447696095 /nfs/dbraw/zinc/69/60/95/447696095.db2.gz KEEZEWNBBSYCKR-YJBOKZPZSA-N 1 3 348.491 1.987 20 0 EDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422711495 447724329 /nfs/dbraw/zinc/72/43/29/447724329.db2.gz NFBIPWGIGQWUKI-VQIMIIECSA-N 1 3 345.487 1.994 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714672 447725823 /nfs/dbraw/zinc/72/58/23/447725823.db2.gz RILHIEXXHBDDRC-YJBOKZPZSA-N 1 3 331.460 1.604 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000458146753 447727754 /nfs/dbraw/zinc/72/77/54/447727754.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000458146753 447727761 /nfs/dbraw/zinc/72/77/61/447727761.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 1 3 330.476 1.984 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289124 447762350 /nfs/dbraw/zinc/76/23/50/447762350.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000458289124 447762352 /nfs/dbraw/zinc/76/23/52/447762352.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 1 3 339.528 1.184 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000471853165 447815301 /nfs/dbraw/zinc/81/53/01/447815301.db2.gz YZCJHZKIFSEGMA-HOTGVXAUSA-N 1 3 332.448 1.244 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000471853165 447815302 /nfs/dbraw/zinc/81/53/02/447815302.db2.gz YZCJHZKIFSEGMA-HOTGVXAUSA-N 1 3 332.448 1.244 20 0 EDADHO NC(=O)NC(=O)CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853165 447815303 /nfs/dbraw/zinc/81/53/03/447815303.db2.gz YZCJHZKIFSEGMA-HOTGVXAUSA-N 1 3 332.448 1.244 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2ccc(OC)c(O)c2)CC[NH2+]CC1 ZINC000422975683 447785295 /nfs/dbraw/zinc/78/52/95/447785295.db2.gz UABMMXYGGSLBPQ-ZDUSSCGKSA-N 1 3 336.432 1.812 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999116 447867660 /nfs/dbraw/zinc/86/76/60/447867660.db2.gz VJMFBOZZQORLQQ-GDBMZVCRSA-N 1 3 336.480 1.023 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489775077 447872696 /nfs/dbraw/zinc/87/26/96/447872696.db2.gz JHFRFWUVVSWBHY-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761531 447890291 /nfs/dbraw/zinc/89/02/91/447890291.db2.gz WWUQMRHXKGHEBQ-HUUCEWRRSA-N 1 3 341.496 1.819 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761531 447890294 /nfs/dbraw/zinc/89/02/94/447890294.db2.gz WWUQMRHXKGHEBQ-HUUCEWRRSA-N 1 3 341.496 1.819 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330733 447987908 /nfs/dbraw/zinc/98/79/08/447987908.db2.gz JJKBQMMIIKSYNW-IAGOWNOFSA-N 1 3 342.447 1.381 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)NCCN3CCCCCC3)n2)CC1 ZINC000491363864 448005322 /nfs/dbraw/zinc/00/53/22/448005322.db2.gz YQHJDLSKQHDOLL-UHFFFAOYSA-N 1 3 348.495 2.147 20 0 EDADHO C[NH+](C)CC1CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497252162 448006476 /nfs/dbraw/zinc/00/64/76/448006476.db2.gz LZVHJRKWJFKXBO-QGZVFWFLSA-N 1 3 329.485 1.536 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049462 448007378 /nfs/dbraw/zinc/00/73/78/448007378.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 1 3 333.476 1.470 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531049462 448007382 /nfs/dbraw/zinc/00/73/82/448007382.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 1 3 333.476 1.470 20 0 EDADHO CC[C@]1(O)CCN(Cc2cncc(CN3CC[C@@](O)(CC)C3)c2)C1 ZINC000556226761 448109364 /nfs/dbraw/zinc/10/93/64/448109364.db2.gz RCWPMIULUGAZEB-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO CC[C@]1(O)CCN(Cc2cncc(C[N@@H+]3CC[C@@](O)(CC)C3)c2)C1 ZINC000556226761 448109372 /nfs/dbraw/zinc/10/93/72/448109372.db2.gz RCWPMIULUGAZEB-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO CC[C@]1(O)CCN(Cc2cncc(C[N@H+]3CC[C@@](O)(CC)C3)c2)C1 ZINC000556226761 448109380 /nfs/dbraw/zinc/10/93/80/448109380.db2.gz RCWPMIULUGAZEB-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402375 448078303 /nfs/dbraw/zinc/07/83/03/448078303.db2.gz NIUNGNSFQIKCIU-DOTOQJQBSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402375 448078307 /nfs/dbraw/zinc/07/83/07/448078307.db2.gz NIUNGNSFQIKCIU-DOTOQJQBSA-N 1 3 335.496 1.398 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)C[C@H]21 ZINC000576582887 448089676 /nfs/dbraw/zinc/08/96/76/448089676.db2.gz MDDLHJJMZXMSGL-FCGDIQPGSA-N 1 3 342.487 1.879 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000501768962 448097212 /nfs/dbraw/zinc/09/72/12/448097212.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 1 3 326.485 1.076 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)N(C)C1 ZINC000501768962 448097217 /nfs/dbraw/zinc/09/72/17/448097217.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 1 3 326.485 1.076 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3cccn3)CC2)CC1 ZINC000576765862 448134985 /nfs/dbraw/zinc/13/49/85/448134985.db2.gz LTFBLWQEIQNKTM-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882837 448142612 /nfs/dbraw/zinc/14/26/12/448142612.db2.gz KOQFVRMUHRKREN-ZEVQVBBLSA-N 1 3 337.508 1.844 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882837 448142616 /nfs/dbraw/zinc/14/26/16/448142616.db2.gz KOQFVRMUHRKREN-ZEVQVBBLSA-N 1 3 337.508 1.844 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000576927401 448171227 /nfs/dbraw/zinc/17/12/27/448171227.db2.gz XFEZLBYEIPUISG-HNNXBMFYSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000571679573 448189591 /nfs/dbraw/zinc/18/95/91/448189591.db2.gz NGBVGIMDJBHYFS-GJZGRUSLSA-N 1 3 338.402 1.407 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000527126881 448165010 /nfs/dbraw/zinc/16/50/10/448165010.db2.gz WPPRUCONARQPTD-UHFFFAOYSA-N 1 3 334.464 1.969 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000515029498 448243633 /nfs/dbraw/zinc/24/36/33/448243633.db2.gz SHAOSARWCVLADS-HZPDHXFCSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000515029498 448243637 /nfs/dbraw/zinc/24/36/37/448243637.db2.gz SHAOSARWCVLADS-HZPDHXFCSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000515485790 448319606 /nfs/dbraw/zinc/31/96/06/448319606.db2.gz ADTYVIGOCXMOLY-MAUKXSAKSA-N 1 3 330.476 1.761 20 0 EDADHO CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272371 448303126 /nfs/dbraw/zinc/30/31/26/448303126.db2.gz CALRFIHJUPSFHZ-HOTGVXAUSA-N 1 3 339.480 1.239 20 0 EDADHO CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272371 448303130 /nfs/dbraw/zinc/30/31/30/448303130.db2.gz CALRFIHJUPSFHZ-HOTGVXAUSA-N 1 3 339.480 1.239 20 0 EDADHO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)C1 ZINC000582847627 448358763 /nfs/dbraw/zinc/35/87/63/448358763.db2.gz ZFHDJVUQVFWWTG-GUDVDZBRSA-N 1 3 345.487 1.562 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CC(F)F)CC2)CC1 ZINC000577766993 448383748 /nfs/dbraw/zinc/38/37/48/448383748.db2.gz OWEPTGDZZNREIR-CQSZACIVSA-N 1 3 347.450 1.315 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000572500106 448395896 /nfs/dbraw/zinc/39/58/96/448395896.db2.gz CPMHFIHRYDJJPC-LJQANCHMSA-N 1 3 348.491 1.311 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](OC)C3)CC2)CC1 ZINC000516326818 448413679 /nfs/dbraw/zinc/41/36/79/448413679.db2.gz BDFJIAWEDDUHNA-SFHVURJKSA-N 1 3 337.508 1.820 20 0 EDADHO CCC[C@@H]1CN(CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000583084286 448420284 /nfs/dbraw/zinc/42/02/84/448420284.db2.gz JZVYHZQGVLZHBF-HXUWFJFHSA-N 1 3 330.520 1.878 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](O)[C@H]3C)CC2)CC1 ZINC000582914486 448379674 /nfs/dbraw/zinc/37/96/74/448379674.db2.gz GUXIFRUMDAWGGW-CRAIPNDOSA-N 1 3 337.508 1.555 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C3CC3)C3COC3)CC2)CC1 ZINC000578548094 448578443 /nfs/dbraw/zinc/57/84/43/448578443.db2.gz LLKREMMBKJTZIS-UHFFFAOYSA-N 1 3 335.492 1.573 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000517800546 448621067 /nfs/dbraw/zinc/62/10/67/448621067.db2.gz YOMRDVWAXYKSMR-SFHVURJKSA-N 1 3 330.476 1.896 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(=O)OC)CC2)CC1 ZINC000578880141 448660876 /nfs/dbraw/zinc/66/08/76/448660876.db2.gz GMMHBLFQWYJEPX-AWEZNQCLSA-N 1 3 339.480 1.251 20 0 EDADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC1CC[NH2+]CC1 ZINC000567164585 448627638 /nfs/dbraw/zinc/62/76/38/448627638.db2.gz OXRZGROJNPBEKS-IBGZPJMESA-N 1 3 342.443 1.183 20 0 EDADHO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cn1 ZINC000584783083 448631486 /nfs/dbraw/zinc/63/14/86/448631486.db2.gz LKRIFNRFCAMFFZ-NEWSRXKRSA-N 1 3 328.460 1.215 20 0 EDADHO Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cn1 ZINC000584783083 448631489 /nfs/dbraw/zinc/63/14/89/448631489.db2.gz LKRIFNRFCAMFFZ-NEWSRXKRSA-N 1 3 328.460 1.215 20 0 EDADHO Cn1cc(C[C@H]2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783083 448631493 /nfs/dbraw/zinc/63/14/93/448631493.db2.gz LKRIFNRFCAMFFZ-NEWSRXKRSA-N 1 3 328.460 1.215 20 0 EDADHO c1cc2c(cc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000518959772 448724419 /nfs/dbraw/zinc/72/44/19/448724419.db2.gz JSTRDSBKKMFTGJ-GVDBMIGSSA-N 1 3 332.444 1.747 20 0 EDADHO COc1ccccc1/C=C/CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519632559 448805858 /nfs/dbraw/zinc/80/58/58/448805858.db2.gz VQGCCUSPHWQTSL-DFUPXEOGSA-N 1 3 343.471 1.945 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579493377 448810292 /nfs/dbraw/zinc/81/02/92/448810292.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579493377 448810296 /nfs/dbraw/zinc/81/02/96/448810296.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 1 3 345.487 1.472 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529314553 448817962 /nfs/dbraw/zinc/81/79/62/448817962.db2.gz OLBWKMRUBQWCAZ-MRXNPFEDSA-N 1 3 338.496 1.460 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN(C)C[C@H]3C)CC2)CC1 ZINC000574411713 448869512 /nfs/dbraw/zinc/86/95/12/448869512.db2.gz PDZYCUDXEAMYFQ-MRXNPFEDSA-N 1 3 336.524 1.345 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C)C[C@H]3C)CC2)CC1 ZINC000574411713 448869515 /nfs/dbraw/zinc/86/95/15/448869515.db2.gz PDZYCUDXEAMYFQ-MRXNPFEDSA-N 1 3 336.524 1.345 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCOC2(CNC2)C1 ZINC000568737218 448911946 /nfs/dbraw/zinc/91/19/46/448911946.db2.gz WFSSKEAJGIQOIU-UHFFFAOYSA-N 1 3 346.475 1.412 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000568864122 448929351 /nfs/dbraw/zinc/92/93/51/448929351.db2.gz XVFPSPKIKHENCS-YOEHRIQHSA-N 1 3 348.516 1.818 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000521204292 448961760 /nfs/dbraw/zinc/96/17/60/448961760.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000521204292 448961764 /nfs/dbraw/zinc/96/17/64/448961764.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 1 3 338.496 1.149 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058228 448999975 /nfs/dbraw/zinc/99/99/75/448999975.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058228 448999978 /nfs/dbraw/zinc/99/99/78/448999978.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 1 3 347.503 1.321 20 0 EDADHO C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000582058228 448999983 /nfs/dbraw/zinc/99/99/83/448999983.db2.gz TYHPEDMWSYKGAZ-PWIZWCRZSA-N 1 3 347.503 1.321 20 0 EDADHO C(CN1CC[NH2+]CC1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000521875878 449022374 /nfs/dbraw/zinc/02/23/74/449022374.db2.gz CWEVAMOXHHVBNW-VQIMIIECSA-N 1 3 345.491 1.281 20 0 EDADHO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000522223278 449065614 /nfs/dbraw/zinc/06/56/14/449065614.db2.gz ZQAGUBOTZBHLJV-QGZVFWFLSA-N 1 3 330.476 1.894 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604631393 449266535 /nfs/dbraw/zinc/26/65/35/449266535.db2.gz GGPNYYZVTLDWDV-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449268008 /nfs/dbraw/zinc/26/80/08/449268008.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 1 3 349.523 1.035 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449268014 /nfs/dbraw/zinc/26/80/14/449268014.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 1 3 349.523 1.035 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604646181 449269352 /nfs/dbraw/zinc/26/93/52/449269352.db2.gz CTATUEYDEOZAJY-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425577 449381356 /nfs/dbraw/zinc/38/13/56/449381356.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 1 3 343.471 1.224 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425577 449381361 /nfs/dbraw/zinc/38/13/61/449381361.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 1 3 343.471 1.224 20 0 EDADHO C[C@@H]1CCCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000602468063 449613344 /nfs/dbraw/zinc/61/33/44/449613344.db2.gz JCFCJEUIEJXVBY-WREIHNQOSA-N 1 3 343.537 1.114 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000617505451 449652976 /nfs/dbraw/zinc/65/29/76/449652976.db2.gz CTYNOYKXTGXWRB-SUMWQHHRSA-N 1 3 337.439 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000617505451 449652982 /nfs/dbraw/zinc/65/29/82/449652982.db2.gz CTYNOYKXTGXWRB-SUMWQHHRSA-N 1 3 337.439 1.517 20 0 EDADHO CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506804 449656274 /nfs/dbraw/zinc/65/62/74/449656274.db2.gz ZOYKVTOVGKSWKJ-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO CCC[C@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506804 449656280 /nfs/dbraw/zinc/65/62/80/449656280.db2.gz ZOYKVTOVGKSWKJ-ULQDDVLXSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000617507565 449659173 /nfs/dbraw/zinc/65/91/73/449659173.db2.gz AAZMAEWZWKUGTB-LBPRGKRZSA-N 1 3 333.436 1.270 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000617507565 449659177 /nfs/dbraw/zinc/65/91/77/449659177.db2.gz AAZMAEWZWKUGTB-LBPRGKRZSA-N 1 3 333.436 1.270 20 0 EDADHO CCN1CCN(CCC[NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599020208 449701721 /nfs/dbraw/zinc/70/17/21/449701721.db2.gz QQZJSNSUGJIQDF-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCN(C)CC1 ZINC000599064028 449715670 /nfs/dbraw/zinc/71/56/70/449715670.db2.gz BBTAWGJCNUKAHA-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO CSC1(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCN(C)CC1 ZINC000599064028 449715677 /nfs/dbraw/zinc/71/56/77/449715677.db2.gz BBTAWGJCNUKAHA-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO COC(=O)c1oc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000597057977 449789401 /nfs/dbraw/zinc/78/94/01/449789401.db2.gz KVJYJAOECDJDAR-CQSZACIVSA-N 1 3 335.448 1.633 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892222 449930918 /nfs/dbraw/zinc/93/09/18/449930918.db2.gz JVZFSNHZCXKADJ-SUMDDJOVSA-N 1 3 330.476 1.948 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612977839 449968685 /nfs/dbraw/zinc/96/86/85/449968685.db2.gz SMOPYDNVVYDIHA-INIZCTEOSA-N 1 3 338.496 1.317 20 0 EDADHO CCOC(=O)CCCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609799613 450097445 /nfs/dbraw/zinc/09/74/45/450097445.db2.gz VNJWMGMDGYOVIQ-QGZVFWFLSA-N 1 3 325.497 1.822 20 0 EDADHO CCOC(=O)CCCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609799613 450097449 /nfs/dbraw/zinc/09/74/49/450097449.db2.gz VNJWMGMDGYOVIQ-QGZVFWFLSA-N 1 3 325.497 1.822 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000625286587 450274110 /nfs/dbraw/zinc/27/41/10/450274110.db2.gz IPYIMIKPQAFPJC-OAHLLOKOSA-N 1 3 337.439 1.329 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N1CCCCCC1 ZINC000620970305 450566973 /nfs/dbraw/zinc/56/69/73/450566973.db2.gz OHSZGTJNSUSFSQ-SJORKVTESA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689356 /nfs/dbraw/zinc/68/93/56/450689356.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 1 3 349.454 2.483 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1noc(Cc2ccc(F)cc2)n1 ZINC000621334985 450689363 /nfs/dbraw/zinc/68/93/63/450689363.db2.gz YHNOPWWFWMSPCQ-AWEZNQCLSA-N 1 3 349.454 2.483 20 0 EDADHO O=C(CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551762 450732575 /nfs/dbraw/zinc/73/25/75/450732575.db2.gz XFXKYESNCBOPRH-MGPQQGTHSA-N 1 3 331.416 1.374 20 0 EDADHO C[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)c1nc(-c2ccccc2)no1 ZINC000629573567 450742401 /nfs/dbraw/zinc/74/24/01/450742401.db2.gz FTOBKSVKDKUUGV-GOEBONIOSA-N 1 3 330.432 1.886 20 0 EDADHO C[NH2+]CCOCCN(C)CCOc1ccccc1Br ZINC000629572018 450743022 /nfs/dbraw/zinc/74/30/22/450743022.db2.gz MCMBAIWUWRDSHP-UHFFFAOYSA-N 1 3 331.254 1.996 20 0 EDADHO CN(CCOCC[NH3+])CCC(=O)Nc1cccc(Br)c1 ZINC000629577412 450744995 /nfs/dbraw/zinc/74/49/95/450744995.db2.gz HRSOEPFFBNLZAT-UHFFFAOYSA-N 1 3 344.253 1.685 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624263108 450769998 /nfs/dbraw/zinc/76/99/98/450769998.db2.gz BERLZNJOISCHDG-FYQPLNBISA-N 1 3 344.503 1.745 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624263108 450770003 /nfs/dbraw/zinc/77/00/03/450770003.db2.gz BERLZNJOISCHDG-FYQPLNBISA-N 1 3 344.503 1.745 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3conc3C)CC2)CC1 ZINC000633278050 450770794 /nfs/dbraw/zinc/77/07/94/450770794.db2.gz APWZQTPXFRZNKA-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631785195 450774605 /nfs/dbraw/zinc/77/46/05/450774605.db2.gz MUWOJDRDEWLDRE-OWCLPIDISA-N 1 3 331.526 1.605 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631785195 450774607 /nfs/dbraw/zinc/77/46/07/450774607.db2.gz MUWOJDRDEWLDRE-OWCLPIDISA-N 1 3 331.526 1.605 20 0 EDADHO Cn1c2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2oc1=O ZINC000631827194 450799999 /nfs/dbraw/zinc/79/99/99/450799999.db2.gz HQCMGIJAZSCTGV-PBHICJAKSA-N 1 3 331.416 1.460 20 0 EDADHO CC[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)N(CC)CC ZINC000627739799 450909837 /nfs/dbraw/zinc/90/98/37/450909837.db2.gz RDYAIHZYJOGKFP-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CC[C@H](C(=O)N1CCC([N@H+]2CCCOCC2)CC1)N(CC)CC ZINC000627739799 450909841 /nfs/dbraw/zinc/90/98/41/450909841.db2.gz RDYAIHZYJOGKFP-QGZVFWFLSA-N 1 3 325.497 1.820 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918950 /nfs/dbraw/zinc/91/89/50/450918950.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918956 /nfs/dbraw/zinc/91/89/56/450918956.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919649 /nfs/dbraw/zinc/91/96/49/450919649.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919653 /nfs/dbraw/zinc/91/96/53/450919653.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000626853184 450961391 /nfs/dbraw/zinc/96/13/91/450961391.db2.gz PFLCGROMLNWZAY-UHFFFAOYSA-N 1 3 332.448 1.071 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)CC[N@@H+]1C ZINC000633693948 450988316 /nfs/dbraw/zinc/98/83/16/450988316.db2.gz GISKNSAVEDLEMO-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(CC)(N3CCOCC3)CC2)CC[N@H+]1C ZINC000633693948 450988322 /nfs/dbraw/zinc/98/83/22/450988322.db2.gz GISKNSAVEDLEMO-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC2CCN(C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000626928678 451011483 /nfs/dbraw/zinc/01/14/83/451011483.db2.gz GJTWGEKRCZTVPV-FZMZJTMJSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000626939603 451020388 /nfs/dbraw/zinc/02/03/88/451020388.db2.gz KDRFVYFHDFRLAR-UONOGXRCSA-N 1 3 326.510 1.398 20 0 EDADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626952344 451031176 /nfs/dbraw/zinc/03/11/76/451031176.db2.gz BAZGMYVSGBSKLG-SFHVURJKSA-N 1 3 348.491 1.434 20 0 EDADHO CCN(CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000626965076 451037856 /nfs/dbraw/zinc/03/78/56/451037856.db2.gz QGHYCGYXDBMQRL-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCN1C ZINC000626986991 451053345 /nfs/dbraw/zinc/05/33/45/451053345.db2.gz TULMULBFYRWPSX-XQHKEYJVSA-N 1 3 336.402 1.638 20 0 EDADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000627019690 451084059 /nfs/dbraw/zinc/08/40/59/451084059.db2.gz LOWIGIXPUFJFNL-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000627031640 451090877 /nfs/dbraw/zinc/09/08/77/451090877.db2.gz GNFIMNFLYQHXQA-OAHLLOKOSA-N 1 3 332.448 1.321 20 0 EDADHO CN(C)CCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641384 451128691 /nfs/dbraw/zinc/12/86/91/451128691.db2.gz SKMRNRYBZLAGOU-QUCCMNQESA-N 1 3 345.487 1.545 20 0 EDADHO CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641384 451128698 /nfs/dbraw/zinc/12/86/98/451128698.db2.gz SKMRNRYBZLAGOU-QUCCMNQESA-N 1 3 345.487 1.545 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000627244923 451206523 /nfs/dbraw/zinc/20/65/23/451206523.db2.gz AIHBFRBAROBAIR-SOLBZPMBSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084095 451247207 /nfs/dbraw/zinc/24/72/07/451247207.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 1 3 346.519 1.682 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638084095 451247210 /nfs/dbraw/zinc/24/72/10/451247210.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 1 3 346.519 1.682 20 0 EDADHO O=C(CN1CCNCC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087218 451251537 /nfs/dbraw/zinc/25/15/37/451251537.db2.gz OZUULSDIYXUPRN-UHFFFAOYSA-N 1 3 330.476 1.906 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094304 451258680 /nfs/dbraw/zinc/25/86/80/451258680.db2.gz ZNMAHDAQLITBBX-ZFWWWQNUSA-N 1 3 332.448 1.320 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094304 451258684 /nfs/dbraw/zinc/25/86/84/451258684.db2.gz ZNMAHDAQLITBBX-ZFWWWQNUSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@H](NC(=O)c1cnn(CCN(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370074 451232131 /nfs/dbraw/zinc/23/21/31/451232131.db2.gz VFRGFCRTWBMEAR-JKSUJKDBSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H](NC(=O)c1cnn(CCN(C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370074 451232134 /nfs/dbraw/zinc/23/21/34/451232134.db2.gz VFRGFCRTWBMEAR-JKSUJKDBSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H](CNC(=O)Nc1cc(CN(C)C)ccn1)C[NH+]1CCN(C)CC1 ZINC000640563150 451408463 /nfs/dbraw/zinc/40/84/63/451408463.db2.gz QHNIKCFTKMRTDB-OAHLLOKOSA-N 1 3 348.495 1.148 20 0 EDADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638304676 451418364 /nfs/dbraw/zinc/41/83/64/451418364.db2.gz JNWNLXVRHDQOEQ-KBXCAEBGSA-N 1 3 332.448 1.102 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638328492 451436599 /nfs/dbraw/zinc/43/65/99/451436599.db2.gz JMBRZNVXWLXZPB-FHWLQOOXSA-N 1 3 344.503 1.436 20 0 EDADHO CN(C)CCn1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cn1 ZINC000638353727 451454644 /nfs/dbraw/zinc/45/46/44/451454644.db2.gz YMMSFARJAXYKTC-UHFFFAOYSA-N 1 3 345.491 1.328 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2cccs2)CC1 ZINC000638378337 451474086 /nfs/dbraw/zinc/47/40/86/451474086.db2.gz NWRTUYQNELJHOS-UHFFFAOYSA-N 1 3 325.478 1.303 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000636022680 451445394 /nfs/dbraw/zinc/44/53/94/451445394.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 1 3 335.492 1.717 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000636022680 451445397 /nfs/dbraw/zinc/44/53/97/451445397.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 1 3 335.492 1.717 20 0 EDADHO CN(C)CCNC(=O)c1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638514259 451553603 /nfs/dbraw/zinc/55/36/03/451553603.db2.gz ROGCYDSSNAJBSU-UHFFFAOYSA-N 1 3 333.476 1.884 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000638560722 451576885 /nfs/dbraw/zinc/57/68/85/451576885.db2.gz XJXFVXXKQPKLAD-SNPRPXQTSA-N 1 3 341.377 1.859 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CC[C@H]1C(F)(F)F ZINC000638559925 451577114 /nfs/dbraw/zinc/57/71/14/451577114.db2.gz QZXODBSFMGDCEI-OUAUKWLOSA-N 1 3 325.400 1.067 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000636910023 451599088 /nfs/dbraw/zinc/59/90/88/451599088.db2.gz YMJKIKVRBVKRCB-DOTOQJQBSA-N 1 3 348.491 1.824 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000636910023 451599091 /nfs/dbraw/zinc/59/90/91/451599091.db2.gz YMJKIKVRBVKRCB-DOTOQJQBSA-N 1 3 348.491 1.824 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635010869 451647744 /nfs/dbraw/zinc/64/77/44/451647744.db2.gz WKZXXSWCVGVGAP-NUEKZKHPSA-N 1 3 336.505 1.477 20 0 EDADHO C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CCN(C)CC1 ZINC000637035039 451690026 /nfs/dbraw/zinc/69/00/26/451690026.db2.gz UGFIYWSBKGPBJV-AWEZNQCLSA-N 1 3 346.479 1.922 20 0 EDADHO N[C@@H](CC1CCCCC1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784671 451691024 /nfs/dbraw/zinc/69/10/24/451691024.db2.gz IYURTZNIXOJWHS-ROUUACIJSA-N 1 3 337.508 1.901 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850068 451710609 /nfs/dbraw/zinc/71/06/09/451710609.db2.gz BOGGVOMMHWJBPF-ZWKOTPCHSA-N 1 3 333.476 1.911 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cn2)CC1 ZINC000632960084 451669781 /nfs/dbraw/zinc/66/97/81/451669781.db2.gz BQMBTXZMOJENNJ-CZUORRHYSA-N 1 3 332.452 1.366 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CC1 ZINC000632961507 451670502 /nfs/dbraw/zinc/67/05/02/451670502.db2.gz SDSQLSHGEZRKBX-GASCZTMLSA-N 1 3 346.479 1.613 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)c1 ZINC000638928033 451738346 /nfs/dbraw/zinc/73/83/46/451738346.db2.gz JYIYCTDANNNUDK-WMZOPIPTSA-N 1 3 328.460 1.080 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000638936747 451739818 /nfs/dbraw/zinc/73/98/18/451739818.db2.gz QZHVNWAGTKMKRJ-SJORKVTESA-N 1 3 330.476 1.455 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NCCC1CC[NH2+]CC1 ZINC000653271915 451806788 /nfs/dbraw/zinc/80/67/88/451806788.db2.gz QMAWKVCGDIVEDA-UHFFFAOYSA-N 1 3 344.503 1.705 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310592 451820633 /nfs/dbraw/zinc/82/06/33/451820633.db2.gz XWZUDIFUXROJFN-UXHICEINSA-N 1 3 348.487 1.784 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1CCCCN1CCO ZINC000637469931 451885877 /nfs/dbraw/zinc/88/58/77/451885877.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC[C@@H]1CCCCN1CCO ZINC000637469931 451885883 /nfs/dbraw/zinc/88/58/83/451885883.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 1 3 338.496 1.149 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645415 451906292 /nfs/dbraw/zinc/90/62/92/451906292.db2.gz JZZROJODAJJALO-HZPDHXFCSA-N 1 3 338.496 1.016 20 0 EDADHO COCCC1(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000649276891 451947794 /nfs/dbraw/zinc/94/77/94/451947794.db2.gz PGKMJRMOBGJQIH-KRWDZBQOSA-N 1 3 333.476 1.812 20 0 EDADHO COC[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649276336 451948024 /nfs/dbraw/zinc/94/80/24/451948024.db2.gz ODBSZWUNMMLMTO-LJQANCHMSA-N 1 3 331.460 1.536 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000651607667 451956729 /nfs/dbraw/zinc/95/67/29/451956729.db2.gz KFTOHDSYGCLMHV-SJLPKXTDSA-N 1 3 331.460 1.870 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CNCCC2(F)F)cc1 ZINC000649287611 451960887 /nfs/dbraw/zinc/96/08/87/451960887.db2.gz VMALPVXULWTCMM-CQSZACIVSA-N 1 3 327.375 1.810 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649288286 451962573 /nfs/dbraw/zinc/96/25/73/451962573.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 1 3 330.476 1.890 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(N)CCN(C)C3)cc2)C1 ZINC000649288286 451962579 /nfs/dbraw/zinc/96/25/79/451962579.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 1 3 330.476 1.890 20 0 EDADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649293764 451968827 /nfs/dbraw/zinc/96/88/27/451968827.db2.gz IJHSEKJTUBBWGJ-ZWKOTPCHSA-N 1 3 331.460 1.566 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1C[NH2+]CCOC1 ZINC000649315857 451994867 /nfs/dbraw/zinc/99/48/67/451994867.db2.gz UMBGZGHUFOTKIT-QGZVFWFLSA-N 1 3 347.459 1.065 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637657726 452001214 /nfs/dbraw/zinc/00/12/14/452001214.db2.gz XUBSKFSANRGNQZ-YLFCFFPRSA-N 1 3 340.512 1.610 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637657726 452001216 /nfs/dbraw/zinc/00/12/16/452001216.db2.gz XUBSKFSANRGNQZ-YLFCFFPRSA-N 1 3 340.512 1.610 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057936 452034283 /nfs/dbraw/zinc/03/42/83/452034283.db2.gz CGLNXHBQTZGOQI-IRXDYDNUSA-N 1 3 348.466 1.405 20 0 EDADHO CC(C)([NH3+])CCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000649352017 452034982 /nfs/dbraw/zinc/03/49/82/452034982.db2.gz HXMKLCJAYNPUNE-UHFFFAOYSA-N 1 3 333.480 1.227 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)CCC(C)(C)[NH3+])CC2)nc1 ZINC000649374374 452048877 /nfs/dbraw/zinc/04/88/77/452048877.db2.gz WZPKVJVNPPFDAS-UHFFFAOYSA-N 1 3 333.480 1.309 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649377129 452050768 /nfs/dbraw/zinc/05/07/68/452050768.db2.gz QYUXCKLUVZQEQA-PIIMJCKOSA-N 1 3 328.460 1.612 20 0 EDADHO Cc1cc(NC(=O)NCC2(N(C)C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000639784098 452126388 /nfs/dbraw/zinc/12/63/88/452126388.db2.gz HZKHJEMIVUWHQV-UHFFFAOYSA-N 1 3 334.468 1.674 20 0 EDADHO Cc1ccc(CN(C)CCN2CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000647492686 452234913 /nfs/dbraw/zinc/23/49/13/452234913.db2.gz SRDSXXYHEYZERC-UHFFFAOYSA-N 1 3 327.476 1.733 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278036 452255989 /nfs/dbraw/zinc/25/59/89/452255989.db2.gz CKUREPQNUSWNSG-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000659423540 452264660 /nfs/dbraw/zinc/26/46/60/452264660.db2.gz MTLNRSOJFWOXNR-URSIVYNOSA-N 1 3 328.460 1.956 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000659428800 452270820 /nfs/dbraw/zinc/27/08/20/452270820.db2.gz CGPHKFYVHHANMI-YOEHRIQHSA-N 1 3 336.480 1.985 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119552 452315687 /nfs/dbraw/zinc/31/56/87/452315687.db2.gz KMPLZOUQABEZIP-FGTMMUONSA-N 1 3 346.475 1.266 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000665758256 452329160 /nfs/dbraw/zinc/32/91/60/452329160.db2.gz CRBWJAJKYVYWEC-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCCC[C@H]1O ZINC000665758256 452329165 /nfs/dbraw/zinc/32/91/65/452329165.db2.gz CRBWJAJKYVYWEC-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645362659 452340172 /nfs/dbraw/zinc/34/01/72/452340172.db2.gz MWYRHAFAPFNXNC-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000665763442 452343037 /nfs/dbraw/zinc/34/30/37/452343037.db2.gz AVXCZPYPMQGGDT-IXDOHACOSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCC[C@@H]1[C@H](C)CO ZINC000665763442 452343039 /nfs/dbraw/zinc/34/30/39/452343039.db2.gz AVXCZPYPMQGGDT-IXDOHACOSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000665763931 452350308 /nfs/dbraw/zinc/35/03/08/452350308.db2.gz PLNKWODDGDIMEQ-FUHWJXTLSA-N 1 3 347.507 1.853 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](c2cccnc2)C1 ZINC000665763931 452350313 /nfs/dbraw/zinc/35/03/13/452350313.db2.gz PLNKWODDGDIMEQ-FUHWJXTLSA-N 1 3 347.507 1.853 20 0 EDADHO COCCN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000657612902 452390173 /nfs/dbraw/zinc/39/01/73/452390173.db2.gz DSZRNZHLHYPXQU-IBGZPJMESA-N 1 3 332.492 1.604 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000659544140 452402428 /nfs/dbraw/zinc/40/24/28/452402428.db2.gz PRXXYGGXLZJNSE-ZOBUZTSGSA-N 1 3 338.496 1.304 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000659556238 452413197 /nfs/dbraw/zinc/41/31/97/452413197.db2.gz DFMLRKPBQOWJPR-KRWDZBQOSA-N 1 3 332.448 1.198 20 0 EDADHO CC[N@H+](CCCNC(=O)N1CCOC2(CNC2)C1)C1CCCCC1 ZINC000652227363 452419715 /nfs/dbraw/zinc/41/97/15/452419715.db2.gz FCCBIOREVIIRHF-UHFFFAOYSA-N 1 3 338.496 1.415 20 0 EDADHO CC[N@@H+](CCCNC(=O)N1CCOC2(CNC2)C1)C1CCCCC1 ZINC000652227363 452419722 /nfs/dbraw/zinc/41/97/22/452419722.db2.gz FCCBIOREVIIRHF-UHFFFAOYSA-N 1 3 338.496 1.415 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659583854 452439891 /nfs/dbraw/zinc/43/98/91/452439891.db2.gz WXMMLMOXXDKNOH-RCCFBDPRSA-N 1 3 330.476 1.868 20 0 EDADHO CN1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C[C@@H]21 ZINC000659590774 452448052 /nfs/dbraw/zinc/44/80/52/452448052.db2.gz DYRLRADUOZBJOI-DDBAPUKQSA-N 1 3 346.450 1.617 20 0 EDADHO CN(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345575 452519431 /nfs/dbraw/zinc/51/94/31/452519431.db2.gz GBYOZTZOECNFTI-XYJFISCASA-N 1 3 337.508 1.996 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000659679333 452550236 /nfs/dbraw/zinc/55/02/36/452550236.db2.gz UVIKFZWLDFBNSB-DOTOQJQBSA-N 1 3 348.491 1.113 20 0 EDADHO C[C@H](O)[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661770925 452565645 /nfs/dbraw/zinc/56/56/45/452565645.db2.gz KDGACJFSRFMLAR-QFBILLFUSA-N 1 3 345.487 1.744 20 0 EDADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835436 452573553 /nfs/dbraw/zinc/57/35/53/452573553.db2.gz YLWCXXWVYGROTD-LJQANCHMSA-N 1 3 344.503 1.407 20 0 EDADHO C[C@H](CCNC(=O)NCc1ccccc1OCCN(C)C)[NH+](C)C ZINC000663868803 452592904 /nfs/dbraw/zinc/59/29/04/452592904.db2.gz RBZSTGZAQWCZEH-OAHLLOKOSA-N 1 3 336.480 1.766 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCC(=O)NCc2ccccc2)CC1 ZINC000647909244 452649713 /nfs/dbraw/zinc/64/97/13/452649713.db2.gz YAMUAJCNLYEXBZ-UHFFFAOYSA-N 1 3 333.476 1.518 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H](CN)C(F)(F)F)C1 ZINC000655916051 452677249 /nfs/dbraw/zinc/67/72/49/452677249.db2.gz ZKZUDCKADMEKSW-IJLUTSLNSA-N 1 3 338.418 1.932 20 0 EDADHO CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655920113 452682142 /nfs/dbraw/zinc/68/21/42/452682142.db2.gz HMNPRVWJTIRTHS-ZIAGYGMSSA-N 1 3 344.381 1.792 20 0 EDADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658134651 452745571 /nfs/dbraw/zinc/74/55/71/452745571.db2.gz BBFOKLZIPYXCSN-KXBFYZLASA-N 1 3 326.444 1.764 20 0 EDADHO COCC1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966603 452748785 /nfs/dbraw/zinc/74/87/85/452748785.db2.gz BKGVGVNUYXAZCJ-HOTGVXAUSA-N 1 3 338.496 1.319 20 0 EDADHO O=C(CCOC1CNC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645787013 452788114 /nfs/dbraw/zinc/78/81/14/452788114.db2.gz RRXRPULXSKWHRQ-QGZVFWFLSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(CCOC1CNC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645787013 452788124 /nfs/dbraw/zinc/78/81/24/452788124.db2.gz RRXRPULXSKWHRQ-QGZVFWFLSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C2CC2)nn1 ZINC000666353110 452801292 /nfs/dbraw/zinc/80/12/92/452801292.db2.gz MHTCMVRXAIJWPI-ZDUSSCGKSA-N 1 3 334.468 1.748 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C2CC2)nn1 ZINC000666353110 452801296 /nfs/dbraw/zinc/80/12/96/452801296.db2.gz MHTCMVRXAIJWPI-ZDUSSCGKSA-N 1 3 334.468 1.748 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730945 452849969 /nfs/dbraw/zinc/84/99/69/452849969.db2.gz ZKTQTYFXDLPPMC-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730945 452849978 /nfs/dbraw/zinc/84/99/78/452849978.db2.gz ZKTQTYFXDLPPMC-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000648169622 452880884 /nfs/dbraw/zinc/88/08/84/452880884.db2.gz CKVCYWFYMXWNBO-DLBZAZTESA-N 1 3 331.460 1.946 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980128 452888902 /nfs/dbraw/zinc/88/89/02/452888902.db2.gz RFIUDUDFOSWTDT-ZJPYXAASSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1occc1C(=O)NC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256151 452986210 /nfs/dbraw/zinc/98/62/10/452986210.db2.gz HFKRJKLAJPRZNA-HNNXBMFYSA-N 1 3 333.432 1.303 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCC[C@@H](C)C1 ZINC000666627438 453020252 /nfs/dbraw/zinc/02/02/52/453020252.db2.gz QLASCDXXYLPQFX-KGLIPLIRSA-N 1 3 332.448 1.320 20 0 EDADHO CN(C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662354696 453069106 /nfs/dbraw/zinc/06/91/06/453069106.db2.gz HLEQPVBJJUDFOP-CQSZACIVSA-N 1 3 327.432 1.478 20 0 EDADHO CC[C@H]([NH2+]C)C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000662379252 453087407 /nfs/dbraw/zinc/08/74/07/453087407.db2.gz COEODLFQAVMNSA-SFHVURJKSA-N 1 3 332.492 1.309 20 0 EDADHO CC(C)[NH2+]CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383118 453091767 /nfs/dbraw/zinc/09/17/67/453091767.db2.gz FQTNOAAODGLZNT-GOSISDBHSA-N 1 3 332.492 1.479 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@H](O)C3)CC2)CC1 ZINC000655023101 453146226 /nfs/dbraw/zinc/14/62/26/453146226.db2.gz RXJJYMLFVLOILH-YJBOKZPZSA-N 1 3 337.508 1.460 20 0 EDADHO O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[C@H](N2CCCCC2)C1 ZINC000662451497 453159586 /nfs/dbraw/zinc/15/95/86/453159586.db2.gz CPBHPUYKGRKCSR-HNNXBMFYSA-N 1 3 332.448 1.842 20 0 EDADHO CC[C@H](NC)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000662528179 453248585 /nfs/dbraw/zinc/24/85/85/453248585.db2.gz XIFQEDJZBVRFQB-KRWDZBQOSA-N 1 3 346.475 1.363 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCS1 ZINC000664631990 453270102 /nfs/dbraw/zinc/27/01/02/453270102.db2.gz BJUQXCSAUYOTHL-LSDHHAIUSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCCCS1 ZINC000664631990 453270109 /nfs/dbraw/zinc/27/01/09/453270109.db2.gz BJUQXCSAUYOTHL-LSDHHAIUSA-N 1 3 330.542 1.843 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666976450 453294049 /nfs/dbraw/zinc/29/40/49/453294049.db2.gz IVTJGCUYKZBLFJ-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113238 453299543 /nfs/dbraw/zinc/29/95/43/453299543.db2.gz XOOZMOKLYPKTBY-RMRDIRSESA-N 1 3 329.444 1.174 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113239 453300028 /nfs/dbraw/zinc/30/00/28/453300028.db2.gz XOOZMOKLYPKTBY-WMEZAQDKSA-N 1 3 329.444 1.174 20 0 EDADHO NCc1cn([C@H]2CCCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576424 453303360 /nfs/dbraw/zinc/30/33/60/453303360.db2.gz XMIJSUFAXWRYLF-DOTOQJQBSA-N 1 3 340.431 1.135 20 0 EDADHO CN(C)C[C@H](NC(=O)[C@@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150672 453337881 /nfs/dbraw/zinc/33/78/81/453337881.db2.gz JZHLBPQFEAJLOL-GJZGRUSLSA-N 1 3 326.872 1.338 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367850 453350828 /nfs/dbraw/zinc/35/08/28/453350828.db2.gz SGZVWMKRTXQTRC-YIOZNXECSA-N 1 3 335.492 1.367 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662637498 453353395 /nfs/dbraw/zinc/35/33/95/453353395.db2.gz IXJPLJJUZYMKBM-MJGOQNOKSA-N 1 3 328.460 1.409 20 0 EDADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000653194469 453384453 /nfs/dbraw/zinc/38/44/53/453384453.db2.gz JWNMXOAOHPMASX-HBFSDRIKSA-N 1 3 342.487 1.881 20 0 EDADHO CC[N@H+](CCCNC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000653200561 453393947 /nfs/dbraw/zinc/39/39/47/453393947.db2.gz IUJJWTRPPQGNHZ-KRWDZBQOSA-N 1 3 325.497 1.916 20 0 EDADHO CC[N@@H+](CCCNC(=O)CNC[C@@H]1CCCO1)C1CCCCC1 ZINC000653200561 453393957 /nfs/dbraw/zinc/39/39/57/453393957.db2.gz IUJJWTRPPQGNHZ-KRWDZBQOSA-N 1 3 325.497 1.916 20 0 EDADHO CCO[C@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000660574954 453414201 /nfs/dbraw/zinc/41/42/01/453414201.db2.gz RCRTXRRMHYNOOY-JCNLHEQBSA-N 1 3 338.496 1.412 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746621 453476761 /nfs/dbraw/zinc/47/67/61/453476761.db2.gz VFMSJUJSFUNOGE-UXLLHSPISA-N 1 3 348.495 1.395 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646604525 453508974 /nfs/dbraw/zinc/50/89/74/453508974.db2.gz OZAZRCRGEGPWMB-SJORKVTESA-N 1 3 325.412 1.698 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750106 453559332 /nfs/dbraw/zinc/55/93/32/453559332.db2.gz AQLQVVIHELZUTI-KSZLIROESA-N 1 3 336.524 1.251 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750106 453559337 /nfs/dbraw/zinc/55/93/37/453559337.db2.gz AQLQVVIHELZUTI-KSZLIROESA-N 1 3 336.524 1.251 20 0 EDADHO CC[C@]1(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857900 453573875 /nfs/dbraw/zinc/57/38/75/453573875.db2.gz CRNDLRSCVHZTQU-PKOBYXMFSA-N 1 3 331.460 1.402 20 0 EDADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858849 453574141 /nfs/dbraw/zinc/57/41/41/453574141.db2.gz IUYMIIFZECPMEZ-GGPKGHCWSA-N 1 3 345.487 1.777 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc2cncn2c1 ZINC000665110477 453577996 /nfs/dbraw/zinc/57/79/96/453577996.db2.gz FUXLBHRFOFSWRJ-HNNXBMFYSA-N 1 3 346.479 1.406 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873293 453582647 /nfs/dbraw/zinc/58/26/47/453582647.db2.gz WCABDCBNTUNRRK-SQNIBIBYSA-N 1 3 331.460 1.126 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660828850 453593333 /nfs/dbraw/zinc/59/33/33/453593333.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660828850 453593335 /nfs/dbraw/zinc/59/33/35/453593335.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 1 3 339.528 1.042 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899816 453593431 /nfs/dbraw/zinc/59/34/31/453593431.db2.gz HDXOLMGCNSZIAR-MJGOQNOKSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899816 453593435 /nfs/dbraw/zinc/59/34/35/453593435.db2.gz HDXOLMGCNSZIAR-MJGOQNOKSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899816 453593438 /nfs/dbraw/zinc/59/34/38/453593438.db2.gz HDXOLMGCNSZIAR-MJGOQNOKSA-N 1 3 344.503 1.622 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000665271053 453631101 /nfs/dbraw/zinc/63/11/01/453631101.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660885795 453632721 /nfs/dbraw/zinc/63/27/21/453632721.db2.gz ARJYHIRJBXEOTD-XYPHTWIQSA-N 1 3 336.480 1.022 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660885795 453632724 /nfs/dbraw/zinc/63/27/24/453632724.db2.gz ARJYHIRJBXEOTD-XYPHTWIQSA-N 1 3 336.480 1.022 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC000665291148 453638336 /nfs/dbraw/zinc/63/83/36/453638336.db2.gz VLEJNDCCRLHVSH-CZUORRHYSA-N 1 3 333.480 1.774 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CCO2 ZINC000665553723 453744988 /nfs/dbraw/zinc/74/49/88/453744988.db2.gz ZPDFWTGZWYRMOO-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CCO2 ZINC000665553723 453744994 /nfs/dbraw/zinc/74/49/94/453744994.db2.gz ZPDFWTGZWYRMOO-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO Cc1nc(NCC[N@H+](C)C2CC2)nc(NCCN(C)C2CC2)c1F ZINC000663424043 453794173 /nfs/dbraw/zinc/79/41/73/453794173.db2.gz LNJHLIKHEPQABM-UHFFFAOYSA-N 1 3 336.459 1.936 20 0 EDADHO Cc1nc(NCC[N@@H+](C)C2CC2)nc(NCCN(C)C2CC2)c1F ZINC000663424043 453794175 /nfs/dbraw/zinc/79/41/75/453794175.db2.gz LNJHLIKHEPQABM-UHFFFAOYSA-N 1 3 336.459 1.936 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cccc3c2OCCO3)CC1 ZINC000663504331 453812178 /nfs/dbraw/zinc/81/21/78/453812178.db2.gz SHSPQLYNXFWZER-UHFFFAOYSA-N 1 3 347.459 1.538 20 0 EDADHO Cc1n[nH]cc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509491 453813120 /nfs/dbraw/zinc/81/31/20/453813120.db2.gz AMALDQBYVLHRQB-AWEZNQCLSA-N 1 3 329.452 1.230 20 0 EDADHO Cc1ccncc1CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512905 453813690 /nfs/dbraw/zinc/81/36/90/453813690.db2.gz PURJHLSRESYDAJ-INIZCTEOSA-N 1 3 340.475 1.902 20 0 EDADHO C[C@H](O)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307935 486651142 /nfs/dbraw/zinc/65/11/42/486651142.db2.gz ZDFUYPBYBPJOFV-SJORKVTESA-N 1 3 335.492 1.514 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233073 486726186 /nfs/dbraw/zinc/72/61/86/486726186.db2.gz FDIPUSNDMUTJNA-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233073 486726189 /nfs/dbraw/zinc/72/61/89/486726189.db2.gz FDIPUSNDMUTJNA-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000683719428 486800154 /nfs/dbraw/zinc/80/01/54/486800154.db2.gz QMSPBSDICGMRHN-QGZVFWFLSA-N 1 3 348.491 1.384 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)C1 ZINC000667802317 486971669 /nfs/dbraw/zinc/97/16/69/486971669.db2.gz LUKJMFXWYFIROT-SFHVURJKSA-N 1 3 329.448 1.677 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)C1 ZINC000667802317 486971673 /nfs/dbraw/zinc/97/16/73/486971673.db2.gz LUKJMFXWYFIROT-SFHVURJKSA-N 1 3 329.448 1.677 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812806 486977790 /nfs/dbraw/zinc/97/77/90/486977790.db2.gz XIYUNAXLKMOVPF-MRXNPFEDSA-N 1 3 348.491 1.969 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812806 486977795 /nfs/dbraw/zinc/97/77/95/486977795.db2.gz XIYUNAXLKMOVPF-MRXNPFEDSA-N 1 3 348.491 1.969 20 0 EDADHO c1cc2n(n1)C[C@@H](C[NH2+]CC1CCN(c3ccncc3)CC1)CN2 ZINC000684202217 486984583 /nfs/dbraw/zinc/98/45/83/486984583.db2.gz ROMODAUCQGHOKU-INIZCTEOSA-N 1 3 326.448 1.826 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000677484673 487099784 /nfs/dbraw/zinc/09/97/84/487099784.db2.gz OCPLNBHWBIKLCO-SFHVURJKSA-N 1 3 347.507 1.308 20 0 EDADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccnn1-c1ccncc1 ZINC000668176450 487130413 /nfs/dbraw/zinc/13/04/13/487130413.db2.gz VXZJKQQAVOPXEU-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccnn1-c1ccncc1 ZINC000668176450 487130417 /nfs/dbraw/zinc/13/04/17/487130417.db2.gz VXZJKQQAVOPXEU-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO CN(CCCN(C)Cc1ccnn1-c1ccncc1)CC[NH+](C)C ZINC000668176450 487130420 /nfs/dbraw/zinc/13/04/20/487130420.db2.gz VXZJKQQAVOPXEU-UHFFFAOYSA-N 1 3 330.480 1.583 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000678237032 487269204 /nfs/dbraw/zinc/26/92/04/487269204.db2.gz CLWDOPPBNPPCKD-VQTJNVASSA-N 1 3 347.503 1.658 20 0 EDADHO CN(c1ccccc1CN1C[C@H](O)C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000678299048 487284754 /nfs/dbraw/zinc/28/47/54/487284754.db2.gz YCKKBPBTHSSUHN-HDICACEKSA-N 1 3 333.476 1.145 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C ZINC000674745697 487308011 /nfs/dbraw/zinc/30/80/11/487308011.db2.gz WWKSDCBXXVQUHA-HOCLYGCPSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@@H]1C ZINC000674745697 487308013 /nfs/dbraw/zinc/30/80/13/487308013.db2.gz WWKSDCBXXVQUHA-HOCLYGCPSA-N 1 3 336.484 1.781 20 0 EDADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048832 487468772 /nfs/dbraw/zinc/46/87/72/487468772.db2.gz VQLLQTPMPHSGIU-GVDBMIGSSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669561168 485568869 /nfs/dbraw/zinc/56/88/69/485568869.db2.gz TUAIWADPNZWAHX-OQIJWPOYSA-N 1 3 342.487 1.900 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000669570401 485589453 /nfs/dbraw/zinc/58/94/53/485589453.db2.gz GMPPMFOKTHLZST-MSOLQXFVSA-N 1 3 346.475 1.268 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CCO1 ZINC000669587432 485639356 /nfs/dbraw/zinc/63/93/56/485639356.db2.gz FGSSAEARTZWNKY-ONIAQPFYSA-N 1 3 346.475 1.407 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669236501 485846054 /nfs/dbraw/zinc/84/60/54/485846054.db2.gz OGVHCBPCUUBAOF-ONEGZZNKSA-N 1 3 345.491 1.138 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000668542966 485872434 /nfs/dbraw/zinc/87/24/34/485872434.db2.gz TUADQAZGDSUOCQ-WMZOPIPTSA-N 1 3 331.460 1.728 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000668625449 485966275 /nfs/dbraw/zinc/96/62/75/485966275.db2.gz QHGVFHQJWJNVOG-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000668649578 485994315 /nfs/dbraw/zinc/99/43/15/485994315.db2.gz VFTTWMBOJZISGU-KZNAEPCWSA-N 1 3 332.492 1.928 20 0 EDADHO COc1cccc([C@H](CNC(=O)NCC[NH2+]C2CC2)N2CCCC2)c1 ZINC000668678505 486033118 /nfs/dbraw/zinc/03/31/18/486033118.db2.gz YYKXWWUUVDXMDT-SFHVURJKSA-N 1 3 346.475 1.883 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000669426287 486147514 /nfs/dbraw/zinc/14/75/14/486147514.db2.gz BVODVJVPGLIILS-IRXDYDNUSA-N 1 3 346.475 1.378 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N(C)Cc1ccccc1 ZINC000669474140 486228201 /nfs/dbraw/zinc/22/82/01/486228201.db2.gz FECCWFBGHBNDHT-VYDXJSESSA-N 1 3 334.464 1.265 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183762605 528995088 /nfs/dbraw/zinc/99/50/88/528995088.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 1 3 345.487 1.744 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183762605 528995094 /nfs/dbraw/zinc/99/50/94/528995094.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 1 3 345.487 1.744 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(O)c1 ZINC000174195835 529099014 /nfs/dbraw/zinc/09/90/14/529099014.db2.gz WPHRFWDHKCRECL-KRWDZBQOSA-N 1 3 348.491 1.950 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(O)c1 ZINC000174195835 529099020 /nfs/dbraw/zinc/09/90/20/529099020.db2.gz WPHRFWDHKCRECL-KRWDZBQOSA-N 1 3 348.491 1.950 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000097174579 534941274 /nfs/dbraw/zinc/94/12/74/534941274.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCN(CCN(C)C)CC2)C1 ZINC000097174579 534941280 /nfs/dbraw/zinc/94/12/80/534941280.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 1 3 339.528 1.044 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000236818931 535046679 /nfs/dbraw/zinc/04/66/79/535046679.db2.gz ROTISSXZBSJTGD-IBGZPJMESA-N 1 3 346.519 1.958 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000263241330 535051375 /nfs/dbraw/zinc/05/13/75/535051375.db2.gz LGZMPHKESBGOFC-AEFFLSMTSA-N 1 3 346.475 1.039 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](N(C)C)C1)CC(C)C ZINC000340000266 535669383 /nfs/dbraw/zinc/66/93/83/535669383.db2.gz ICOSGKFHNUEDOO-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)C1CCOCC1)Cc1ccccc1 ZINC000261634338 535676954 /nfs/dbraw/zinc/67/69/54/535676954.db2.gz DBBIMUARIINWLQ-RBUKOAKNSA-N 1 3 347.503 1.810 20 0 EDADHO CCN(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000246288369 535763214 /nfs/dbraw/zinc/76/32/14/535763214.db2.gz ALNRTHQYWBHICS-HKUYNNGSSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000237074881 536040556 /nfs/dbraw/zinc/04/05/56/536040556.db2.gz FISXYVLEURZWJY-UHFFFAOYSA-N 1 3 328.420 1.517 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000262903689 536571387 /nfs/dbraw/zinc/57/13/87/536571387.db2.gz PXPCXZIWFWDVLZ-INIZCTEOSA-N 1 3 337.489 1.580 20 0 EDADHO CN(C)[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000759965867 580020564 /nfs/dbraw/zinc/02/05/64/580020564.db2.gz JAXQSDDVYOPZHE-OAHLLOKOSA-N 1 3 325.478 1.293 20 0 EDADHO CN(C)[C@@H]1CCC[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000759965867 580020565 /nfs/dbraw/zinc/02/05/65/580020565.db2.gz JAXQSDDVYOPZHE-OAHLLOKOSA-N 1 3 325.478 1.293 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732677805 578723033 /nfs/dbraw/zinc/72/30/33/578723033.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 1 3 336.480 1.118 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000732677805 578723034 /nfs/dbraw/zinc/72/30/34/578723034.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 1 3 336.480 1.118 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732779468 578727838 /nfs/dbraw/zinc/72/78/38/578727838.db2.gz SSFZUDWFUCYVDZ-MRXNPFEDSA-N 1 3 333.480 1.256 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732779468 578727840 /nfs/dbraw/zinc/72/78/40/578727840.db2.gz SSFZUDWFUCYVDZ-MRXNPFEDSA-N 1 3 333.480 1.256 20 0 EDADHO Cc1nccn1CCCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732779468 578727841 /nfs/dbraw/zinc/72/78/41/578727841.db2.gz SSFZUDWFUCYVDZ-MRXNPFEDSA-N 1 3 333.480 1.256 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734272622 578804134 /nfs/dbraw/zinc/80/41/34/578804134.db2.gz GGHPGCSLSLQMNV-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCC1 ZINC000745906920 579567248 /nfs/dbraw/zinc/56/72/48/579567248.db2.gz TVKXJAYFZQOPEH-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC1CCC1 ZINC000745906920 579567250 /nfs/dbraw/zinc/56/72/50/579567250.db2.gz TVKXJAYFZQOPEH-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708900 /nfs/dbraw/zinc/70/89/00/579708900.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 1 3 338.496 1.364 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708901 /nfs/dbraw/zinc/70/89/01/579708901.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 1 3 338.496 1.364 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000776513297 580418986 /nfs/dbraw/zinc/41/89/86/580418986.db2.gz MVPLOLDKVKRTQZ-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748198 580532855 /nfs/dbraw/zinc/53/28/55/580532855.db2.gz KQXXZONUUJBXAO-IAGOWNOFSA-N 1 3 338.496 1.737 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748198 580532856 /nfs/dbraw/zinc/53/28/56/580532856.db2.gz KQXXZONUUJBXAO-IAGOWNOFSA-N 1 3 338.496 1.737 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)C2)cc1 ZINC000892077694 590788672 /nfs/dbraw/zinc/78/86/72/590788672.db2.gz KAWZWPQYVPIUAK-NJAFHUGGSA-N 1 3 330.476 1.867 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000892102445 590799424 /nfs/dbraw/zinc/79/94/24/590799424.db2.gz YTHMXWZVCAMAGJ-HNNXBMFYSA-N 1 3 329.448 1.612 20 0 EDADHO [NH3+][C@@H](CCNC(=O)NC[C@H]1CCCN1CCCO)Cc1ccccc1 ZINC000892407916 591015348 /nfs/dbraw/zinc/01/53/48/591015348.db2.gz JAIQXVOLNGAYLF-ZWKOTPCHSA-N 1 3 348.491 1.093 20 0 EDADHO [NH3+][C@@H](CCNC(=O)N1CCNCCC12CCC2)Cc1ccccc1 ZINC000892413746 591018724 /nfs/dbraw/zinc/01/87/24/591018724.db2.gz HZNXPDVRZKEUSY-KRWDZBQOSA-N 1 3 330.476 1.874 20 0 EDADHO COCCN1CCC(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000891439157 591073860 /nfs/dbraw/zinc/07/38/60/591073860.db2.gz CVNSCZKYGTWFHG-QGZVFWFLSA-N 1 3 348.491 1.357 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538919 591113281 /nfs/dbraw/zinc/11/32/81/591113281.db2.gz WVYJUZAJJIGPRO-HZPDHXFCSA-N 1 3 338.496 1.319 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000891638953 591162018 /nfs/dbraw/zinc/16/20/18/591162018.db2.gz OCGRZKAABISERB-SFHVURJKSA-N 1 3 348.516 1.569 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891749692 591209558 /nfs/dbraw/zinc/20/95/58/591209558.db2.gz VFNZQWMWEIOPTA-IEBWSBKVSA-N 1 3 343.475 1.882 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CCN(C)CC1 ZINC000891766433 591216603 /nfs/dbraw/zinc/21/66/03/591216603.db2.gz UDQJOCRERCFCLH-CYZMBNFOSA-N 1 3 334.386 1.415 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000897437022 591427389 /nfs/dbraw/zinc/42/73/89/591427389.db2.gz FNXKKEYOTXAIBZ-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N(CCN(C)C)C[C@H]2CCCO2)C1 ZINC000897437022 591427392 /nfs/dbraw/zinc/42/73/92/591427392.db2.gz FNXKKEYOTXAIBZ-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000897466109 591466731 /nfs/dbraw/zinc/46/67/31/591466731.db2.gz OCVAPRKYEMBJAR-CVEARBPZSA-N 1 3 326.485 1.080 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3C)CC[NH+](C)CC1 ZINC000894951251 591497044 /nfs/dbraw/zinc/49/70/44/591497044.db2.gz JQIMYBBGLJHIJE-GJZGRUSLSA-N 1 3 340.537 1.692 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897548721 591547668 /nfs/dbraw/zinc/54/76/68/591547668.db2.gz MQSTYIDZCJBVQS-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897548721 591547670 /nfs/dbraw/zinc/54/76/70/591547670.db2.gz MQSTYIDZCJBVQS-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000895445867 591760593 /nfs/dbraw/zinc/76/05/93/591760593.db2.gz JTEIIJRVEXMUDO-SFHVURJKSA-N 1 3 331.460 1.516 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000899562781 591847197 /nfs/dbraw/zinc/84/71/97/591847197.db2.gz FUWICIFRYLYSJB-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333447 591875437 /nfs/dbraw/zinc/87/54/37/591875437.db2.gz TVILHWKWQZMIKG-NVXWUHKLSA-N 1 3 348.491 1.972 20 0 EDADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333447 591875439 /nfs/dbraw/zinc/87/54/39/591875439.db2.gz TVILHWKWQZMIKG-NVXWUHKLSA-N 1 3 348.491 1.972 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900219128 591947478 /nfs/dbraw/zinc/94/74/78/591947478.db2.gz RFHILMGEEINQQN-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900219128 591947479 /nfs/dbraw/zinc/94/74/79/591947479.db2.gz RFHILMGEEINQQN-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)C[C@]2(O)CCCN(C)C2)c1 ZINC000900252236 591960640 /nfs/dbraw/zinc/96/06/40/591960640.db2.gz QLJGZCHJZUWAKD-HXUWFJFHSA-N 1 3 347.503 1.991 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)C1(O)CCOCC1 ZINC000899867644 591966159 /nfs/dbraw/zinc/96/61/59/591966159.db2.gz RSTDXCZYWUMYAX-IBGZPJMESA-N 1 3 348.487 1.665 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900433016 592017066 /nfs/dbraw/zinc/01/70/66/592017066.db2.gz CGLZWMIUOWURCR-LJQANCHMSA-N 1 3 349.475 1.090 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900433016 592017069 /nfs/dbraw/zinc/01/70/69/592017069.db2.gz CGLZWMIUOWURCR-LJQANCHMSA-N 1 3 349.475 1.090 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1CCN(C)C ZINC000900469150 592027198 /nfs/dbraw/zinc/02/71/98/592027198.db2.gz ZRNLRRCAQLKUPD-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccnn1CCN(C)C ZINC000900469150 592027200 /nfs/dbraw/zinc/02/72/00/592027200.db2.gz ZRNLRRCAQLKUPD-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900696493 592089038 /nfs/dbraw/zinc/08/90/38/592089038.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 1 3 336.524 1.393 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900696493 592089040 /nfs/dbraw/zinc/08/90/40/592089040.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H]([NH2+]CCN1CCCOCC1)c1cccc(OCCN(C)C)c1 ZINC000903229287 592144194 /nfs/dbraw/zinc/14/41/94/592144194.db2.gz XLADICIOJWHSPC-KRWDZBQOSA-N 1 3 335.492 2.000 20 0 EDADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900996 592165184 /nfs/dbraw/zinc/16/51/84/592165184.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCN1CCN(C(C)C)CC1 ZINC000900900996 592165186 /nfs/dbraw/zinc/16/51/86/592165186.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CN(C)[C@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470827 592175494 /nfs/dbraw/zinc/17/54/94/592175494.db2.gz DQQHINULKZEDPN-IAGOWNOFSA-N 1 3 330.476 1.280 20 0 EDADHO CC(C)(C)n1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nn1 ZINC000903505482 592181961 /nfs/dbraw/zinc/18/19/61/592181961.db2.gz DDFDAEUWYPSTGO-CALCHBBNSA-N 1 3 332.496 1.434 20 0 EDADHO CC(C)(C)n1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nn1 ZINC000903505482 592181963 /nfs/dbraw/zinc/18/19/63/592181963.db2.gz DDFDAEUWYPSTGO-CALCHBBNSA-N 1 3 332.496 1.434 20 0 EDADHO O=C(CN[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000903522636 592196416 /nfs/dbraw/zinc/19/64/16/592196416.db2.gz VDSAWTVJKGQQHG-QAPCUYQASA-N 1 3 348.422 1.001 20 0 EDADHO C[NH2+]C[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000903529373 592206685 /nfs/dbraw/zinc/20/66/85/592206685.db2.gz ZKCJEVOOTQUNRW-ZWKOTPCHSA-N 1 3 332.492 1.479 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 ZINC000903562002 592210668 /nfs/dbraw/zinc/21/06/68/592210668.db2.gz UOHPBAXMGLFHCY-GJYPPUQNSA-N 1 3 347.459 1.948 20 0 EDADHO CN(C)CCCS(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589538 592220411 /nfs/dbraw/zinc/22/04/11/592220411.db2.gz WWVZDCQORGFRKO-LBPRGKRZSA-N 1 3 329.441 1.045 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000904360437 592238125 /nfs/dbraw/zinc/23/81/25/592238125.db2.gz KPHHZJJEXBJTDI-INIZCTEOSA-N 1 3 348.495 1.960 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669111 592250570 /nfs/dbraw/zinc/25/05/70/592250570.db2.gz QCEICRUEGLIERD-MRXNPFEDSA-N 1 3 346.475 1.760 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000906677116 592257885 /nfs/dbraw/zinc/25/78/85/592257885.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 1 3 338.540 1.498 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1 ZINC000906677116 592257890 /nfs/dbraw/zinc/25/78/90/592257890.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 1 3 338.540 1.498 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904530489 592280237 /nfs/dbraw/zinc/28/02/37/592280237.db2.gz NDQWCKONHRSBIX-MLHJIOFPSA-N 1 3 344.459 1.564 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904535366 592281050 /nfs/dbraw/zinc/28/10/50/592281050.db2.gz IQUJIDOVUYGVLI-RDTXWAMCSA-N 1 3 346.479 1.885 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260277 592316216 /nfs/dbraw/zinc/31/62/16/592316216.db2.gz YNRCQEAWIQXHPQ-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO CC(=O)N(C[C@H]1CCCN1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915450 592370555 /nfs/dbraw/zinc/37/05/55/592370555.db2.gz YSDFXFYRMRJLSP-QFBILLFUSA-N 1 3 347.507 1.321 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNC[C@@H]2NCCc3ccccc32)cnn1C ZINC000903920750 592376986 /nfs/dbraw/zinc/37/69/86/592376986.db2.gz WXFXPSASHSNEOY-KXBFYZLASA-N 1 3 327.476 1.323 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905049746 592379856 /nfs/dbraw/zinc/37/98/56/592379856.db2.gz PVPANJLZFYFHDO-IBGZPJMESA-N 1 3 347.503 1.190 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905050563 592381109 /nfs/dbraw/zinc/38/11/09/592381109.db2.gz PKTUJONNWWAYLJ-GOSISDBHSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905050563 592381114 /nfs/dbraw/zinc/38/11/14/592381114.db2.gz PKTUJONNWWAYLJ-GOSISDBHSA-N 1 3 336.476 1.519 20 0 EDADHO O[C@H](CC[C@H](O)c1ccccc1)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905075608 592403360 /nfs/dbraw/zinc/40/33/60/592403360.db2.gz JZEJKDMZNFRZNO-RDGPPVDQSA-N 1 3 334.460 1.314 20 0 EDADHO O[C@H](CC[C@H](O)c1ccccc1)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000905075608 592403364 /nfs/dbraw/zinc/40/33/64/592403364.db2.gz JZEJKDMZNFRZNO-RDGPPVDQSA-N 1 3 334.460 1.314 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC1(O)CCCCC1 ZINC000905174579 592454903 /nfs/dbraw/zinc/45/49/03/592454903.db2.gz KTWSSRBSOQRTSE-RCCFBDPRSA-N 1 3 340.508 1.400 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240868 592485084 /nfs/dbraw/zinc/48/50/84/592485084.db2.gz AVWGVANQUHCOOG-CEXWTWQISA-N 1 3 334.460 1.001 20 0 EDADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240868 592485085 /nfs/dbraw/zinc/48/50/85/592485085.db2.gz AVWGVANQUHCOOG-CEXWTWQISA-N 1 3 334.460 1.001 20 0 EDADHO CN1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC12CCCCC2 ZINC000908572446 592544076 /nfs/dbraw/zinc/54/40/76/592544076.db2.gz WLLHQJZSACVDNF-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO c1nc(N2CCCC2)cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000905705409 592617572 /nfs/dbraw/zinc/61/75/72/592617572.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 1 3 342.491 1.482 20 0 EDADHO c1nc(N2CCCC2)cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000905705409 592617575 /nfs/dbraw/zinc/61/75/75/592617575.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 1 3 342.491 1.482 20 0 EDADHO CON1CC[C@H]([NH2+]CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000905761030 592638754 /nfs/dbraw/zinc/63/87/54/592638754.db2.gz WTNYNXXQBDBFQZ-ZWKOTPCHSA-N 1 3 347.459 1.184 20 0 EDADHO CON1CC[C@H](NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000905761030 592638756 /nfs/dbraw/zinc/63/87/56/592638756.db2.gz WTNYNXXQBDBFQZ-ZWKOTPCHSA-N 1 3 347.459 1.184 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489837 592830971 /nfs/dbraw/zinc/83/09/71/592830971.db2.gz VONKFBDENDCXBG-CVEARBPZSA-N 1 3 333.480 1.455 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489837 592830973 /nfs/dbraw/zinc/83/09/73/592830973.db2.gz VONKFBDENDCXBG-CVEARBPZSA-N 1 3 333.480 1.455 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634085 592970731 /nfs/dbraw/zinc/97/07/31/592970731.db2.gz ZGKZTTLDZHECHM-PKOBYXMFSA-N 1 3 333.476 1.690 20 0 EDADHO N[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C1CCCCCC1 ZINC000911736411 592993263 /nfs/dbraw/zinc/99/32/63/592993263.db2.gz QQQPYSVWCAHFPD-KRWDZBQOSA-N 1 3 331.464 1.727 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccc(OCCN(C)C)cc1 ZINC000911866667 593024237 /nfs/dbraw/zinc/02/42/37/593024237.db2.gz ATGWUNZTAVZBIG-QGZVFWFLSA-N 1 3 333.476 1.770 20 0 EDADHO C[C@@]1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380470 593089446 /nfs/dbraw/zinc/08/94/46/593089446.db2.gz UAGRKYCXZHKTPS-FXAWDEMLSA-N 1 3 342.487 1.894 20 0 EDADHO N[C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CCC1 ZINC000817859004 593641822 /nfs/dbraw/zinc/64/18/22/593641822.db2.gz LAEDRQGAQMIGMU-INIZCTEOSA-N 1 3 331.416 1.661 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNS(=O)(=O)Cc1ccccc1 ZINC000817891583 593645822 /nfs/dbraw/zinc/64/58/22/593645822.db2.gz DNKBULNUGDOPOX-JKSUJKDBSA-N 1 3 325.478 1.213 20 0 EDADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896836 593646767 /nfs/dbraw/zinc/64/67/67/593646767.db2.gz WBIVZPOFFFKVCT-LERXQTSPSA-N 1 3 326.824 1.732 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000819004627 593733536 /nfs/dbraw/zinc/73/35/36/593733536.db2.gz RDHQSONOFGOWNB-CZUORRHYSA-N 1 3 341.402 1.175 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC000819043742 593735420 /nfs/dbraw/zinc/73/54/20/593735420.db2.gz VFSYSAWXCWMHMU-KRWDZBQOSA-N 1 3 337.439 1.391 20 0 EDADHO CON(C)C(=O)CC[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000819121756 593740080 /nfs/dbraw/zinc/74/00/80/593740080.db2.gz OFQCBVUQDNMYER-UHFFFAOYSA-N 1 3 335.448 1.143 20 0 EDADHO COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000821813551 593946711 /nfs/dbraw/zinc/94/67/11/593946711.db2.gz IONWXJSQJRUEDT-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000821813551 593946712 /nfs/dbraw/zinc/94/67/12/593946712.db2.gz IONWXJSQJRUEDT-UHFFFAOYSA-N 1 3 330.436 1.697 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139307 594349884 /nfs/dbraw/zinc/34/98/84/594349884.db2.gz PNSBOJZKRDAEGA-NVXWUHKLSA-N 1 3 344.459 1.450 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000841017589 594839939 /nfs/dbraw/zinc/83/99/39/594839939.db2.gz GFCGLAXLNJEXQD-UHFFFAOYSA-N 1 3 345.491 1.950 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000841020731 594840904 /nfs/dbraw/zinc/84/09/04/594840904.db2.gz UTNLOHLDMGMMHQ-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)C1(CNC(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000841455446 594902717 /nfs/dbraw/zinc/90/27/17/594902717.db2.gz SGIIUPHFWIGSRX-JXMROGBWSA-N 1 3 331.460 1.851 20 0 EDADHO [NH3+]CCCCCCNC(=O)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000843261542 595056312 /nfs/dbraw/zinc/05/63/12/595056312.db2.gz LRBLBENJUCNWTG-INIZCTEOSA-N 1 3 338.496 1.099 20 0 EDADHO COc1ccc(CNC(=O)CN(C)C2CCC([NH3+])CC2)cc1OC ZINC000843353642 595084309 /nfs/dbraw/zinc/08/43/09/595084309.db2.gz GBVIZTXNALMXBM-UHFFFAOYSA-N 1 3 335.448 1.522 20 0 EDADHO COCCS(=O)(=O)CCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386303 595096403 /nfs/dbraw/zinc/09/64/03/595096403.db2.gz FJRCSDPFAFXDCX-JKSUJKDBSA-N 1 3 332.510 1.149 20 0 EDADHO Cc1ccc2c(CN3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475656 595115218 /nfs/dbraw/zinc/11/52/18/595115218.db2.gz XMVSQERLMLCYBH-KRWDZBQOSA-N 1 3 341.455 1.889 20 0 EDADHO Cc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000844187209 595296526 /nfs/dbraw/zinc/29/65/26/595296526.db2.gz GMZAZHAYDOTIAI-OAHLLOKOSA-N 1 3 335.448 1.643 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnc(CO)c3)CC2)CC1 ZINC000848372893 595370379 /nfs/dbraw/zinc/37/03/79/595370379.db2.gz HWIKSSSFVSZPTN-UHFFFAOYSA-N 1 3 346.475 1.709 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)CC1 ZINC000844937411 595416680 /nfs/dbraw/zinc/41/66/80/595416680.db2.gz VIXWXJRXRHUBMN-GASCZTMLSA-N 1 3 342.434 1.452 20 0 EDADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000849091109 595480360 /nfs/dbraw/zinc/48/03/60/595480360.db2.gz KOVFGAADYGGZNF-SQWLQELKSA-N 1 3 330.432 1.487 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884016 595597504 /nfs/dbraw/zinc/59/75/04/595597504.db2.gz CNJTUNBIFULWOS-ZBFHGGJFSA-N 1 3 330.432 1.213 20 0 EDADHO CN(C)CCCS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000866646992 596279003 /nfs/dbraw/zinc/27/90/03/596279003.db2.gz ZLULMWJRLNEOFR-UHFFFAOYSA-N 1 3 345.553 1.902 20 0 EDADHO CO[C@@H](CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712262 596305335 /nfs/dbraw/zinc/30/53/35/596305335.db2.gz SBMBPJJQEQXMLL-NCOADZHNSA-N 1 3 337.464 1.449 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863556444 596617746 /nfs/dbraw/zinc/61/77/46/596617746.db2.gz CQIXVSNHGDGLRJ-BZUAXINKSA-N 1 3 341.496 1.726 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000863556447 596617782 /nfs/dbraw/zinc/61/77/82/596617782.db2.gz CQIXVSNHGDGLRJ-PMPSAXMXSA-N 1 3 341.496 1.726 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)C[C@H](C)[NH3+] ZINC000863570691 596622154 /nfs/dbraw/zinc/62/21/54/596622154.db2.gz YUQSJDBASZAOKS-JKSUJKDBSA-N 1 3 332.492 1.435 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC[C@@H]21 ZINC000868171766 596709992 /nfs/dbraw/zinc/70/99/92/596709992.db2.gz TUAXWZNWXBYEEM-BPQIPLTHSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC[C@@H]21 ZINC000868171766 596709993 /nfs/dbraw/zinc/70/99/93/596709993.db2.gz TUAXWZNWXBYEEM-BPQIPLTHSA-N 1 3 344.459 1.905 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCN1C ZINC000868230720 596736868 /nfs/dbraw/zinc/73/68/68/596736868.db2.gz LZNWJOIRNAFGBP-BQDHKBFISA-N 1 3 330.432 1.039 20 0 EDADHO C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cccc(CN)c2)CC1 ZINC000868300239 596775168 /nfs/dbraw/zinc/77/51/68/596775168.db2.gz FVFLODBCBCDKBE-UHFFFAOYSA-N 1 3 332.448 1.463 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2)CC1 ZINC000872201179 596833145 /nfs/dbraw/zinc/83/31/45/596833145.db2.gz SGWUEKHMSCPHLY-LJQANCHMSA-N 1 3 349.519 1.436 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC(C)(C)[C@@H]1CCCCO1 ZINC000875713088 596957305 /nfs/dbraw/zinc/95/73/05/596957305.db2.gz JUVUBIFKALILLD-HOTGVXAUSA-N 1 3 342.528 1.905 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC(C)(C)[C@@H]1CCCCO1 ZINC000875713088 596957308 /nfs/dbraw/zinc/95/73/08/596957308.db2.gz JUVUBIFKALILLD-HOTGVXAUSA-N 1 3 342.528 1.905 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCSC1 ZINC000875716541 596959064 /nfs/dbraw/zinc/95/90/64/596959064.db2.gz VDZHUBVDSJCVIY-LSDHHAIUSA-N 1 3 330.542 1.701 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCSC1 ZINC000875716541 596959067 /nfs/dbraw/zinc/95/90/67/596959067.db2.gz VDZHUBVDSJCVIY-LSDHHAIUSA-N 1 3 330.542 1.701 20 0 EDADHO CC1(C)CC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)NC1 ZINC000873234262 597234729 /nfs/dbraw/zinc/23/47/29/597234729.db2.gz DVLNDMFNAHCUPX-SFHVURJKSA-N 1 3 338.540 1.151 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873329503 597258239 /nfs/dbraw/zinc/25/82/39/597258239.db2.gz WHYXHQUSITXTJR-GHMZBOCLSA-N 1 3 348.373 1.046 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000876772918 597333910 /nfs/dbraw/zinc/33/39/10/597333910.db2.gz UOAKLPBPGVHQNG-IUODEOHRSA-N 1 3 347.488 1.753 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000876772918 597333913 /nfs/dbraw/zinc/33/39/13/597333913.db2.gz UOAKLPBPGVHQNG-IUODEOHRSA-N 1 3 347.488 1.753 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000875296191 597373648 /nfs/dbraw/zinc/37/36/48/597373648.db2.gz UHURYLMQFQCQQQ-MRXNPFEDSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000876898257 597375909 /nfs/dbraw/zinc/37/59/09/597375909.db2.gz QIXITUXNXOYWHE-KRWDZBQOSA-N 1 3 333.480 1.044 20 0 EDADHO Cc1cc([C@@H](N)CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146627 597442856 /nfs/dbraw/zinc/44/28/56/597442856.db2.gz WSMGISNCSWWDMC-GJZGRUSLSA-N 1 3 336.867 1.986 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877344188 597496870 /nfs/dbraw/zinc/49/68/70/597496870.db2.gz VRVCVELXMBGRCN-FPOVZHCZSA-N 1 3 335.451 1.748 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1C(F)(F)F ZINC000877357075 597500121 /nfs/dbraw/zinc/50/01/21/597500121.db2.gz QXYNNYRNZQHZLI-MRVWCRGKSA-N 1 3 327.350 1.469 20 0 EDADHO OC[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000877764622 597553612 /nfs/dbraw/zinc/55/36/12/597553612.db2.gz LCJMYWKAXZDSFH-HDICACEKSA-N 1 3 334.460 1.194 20 0 EDADHO CSc1nccnc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000880664624 597990727 /nfs/dbraw/zinc/99/07/27/597990727.db2.gz XBNKFYMVRPFUSJ-LBPRGKRZSA-N 1 3 325.482 1.200 20 0 EDADHO CSc1nccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000880664624 597990728 /nfs/dbraw/zinc/99/07/28/597990728.db2.gz XBNKFYMVRPFUSJ-LBPRGKRZSA-N 1 3 325.482 1.200 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)C1 ZINC000914314237 695351727 /nfs/dbraw/zinc/35/17/27/695351727.db2.gz PSFLKSVVBQFGID-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914407799 695391513 /nfs/dbraw/zinc/39/15/13/695391513.db2.gz WUPLSSOXWHTQDY-ULQDDVLXSA-N 1 3 343.537 1.512 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914407799 695391516 /nfs/dbraw/zinc/39/15/16/695391516.db2.gz WUPLSSOXWHTQDY-ULQDDVLXSA-N 1 3 343.537 1.512 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2C)[C@@H](C)C1 ZINC000919050190 697236710 /nfs/dbraw/zinc/23/67/10/697236710.db2.gz HAZBHWZEVDOQQX-LUKYLMHMSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN(C)[C@H]2C)[C@@H](C)C1 ZINC000919050190 697236712 /nfs/dbraw/zinc/23/67/12/697236712.db2.gz HAZBHWZEVDOQQX-LUKYLMHMSA-N 1 3 340.512 1.515 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031665556 697445635 /nfs/dbraw/zinc/44/56/35/697445635.db2.gz AFLMWEVQGNPNRU-SJORKVTESA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031665556 697445638 /nfs/dbraw/zinc/44/56/38/697445638.db2.gz AFLMWEVQGNPNRU-SJORKVTESA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127359 699205077 /nfs/dbraw/zinc/20/50/77/699205077.db2.gz COWKTNSKMLSFLV-GDBMZVCRSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939258166 699435769 /nfs/dbraw/zinc/43/57/69/699435769.db2.gz PNZWJSXYMKUFMB-KSSFIOAISA-N 1 3 345.491 1.453 20 0 EDADHO C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NCc1ccccn1 ZINC000939424592 699574352 /nfs/dbraw/zinc/57/43/52/699574352.db2.gz YEGBMYZUHRZLQZ-QAPCUYQASA-N 1 3 346.475 1.129 20 0 EDADHO Cc1nc(C)c(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164520 701603438 /nfs/dbraw/zinc/60/34/38/701603438.db2.gz AKOACTMGBKVGFZ-CVEARBPZSA-N 1 3 346.475 1.762 20 0 EDADHO Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000939754136 699904291 /nfs/dbraw/zinc/90/42/91/699904291.db2.gz LFBZKKZCCBNERO-MLGOLLRUSA-N 1 3 336.505 1.792 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666259 701620738 /nfs/dbraw/zinc/62/07/38/701620738.db2.gz SBZAIMOPCMLLGJ-KRWDZBQOSA-N 1 3 348.535 1.203 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C3CN(CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666259 701620739 /nfs/dbraw/zinc/62/07/39/701620739.db2.gz SBZAIMOPCMLLGJ-KRWDZBQOSA-N 1 3 348.535 1.203 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940142254 700269895 /nfs/dbraw/zinc/26/98/95/700269895.db2.gz MKJUSJWGOIEORK-MRXNPFEDSA-N 1 3 348.495 1.160 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940142254 700269899 /nfs/dbraw/zinc/26/98/99/700269899.db2.gz MKJUSJWGOIEORK-MRXNPFEDSA-N 1 3 348.495 1.160 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000940306468 700488884 /nfs/dbraw/zinc/48/88/84/700488884.db2.gz LLXPTKSYAYPSDC-QGZVFWFLSA-N 1 3 349.523 1.785 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329510 700509040 /nfs/dbraw/zinc/50/90/40/700509040.db2.gz UXDFIODDABVONY-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426559 700620540 /nfs/dbraw/zinc/62/05/40/700620540.db2.gz WYJQNXHJLCKITI-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426559 700620542 /nfs/dbraw/zinc/62/05/42/700620542.db2.gz WYJQNXHJLCKITI-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO COc1cc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000940461939 700665671 /nfs/dbraw/zinc/66/56/71/700665671.db2.gz SHYUCFMCLQFBGO-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748281 700873924 /nfs/dbraw/zinc/87/39/24/700873924.db2.gz WXWYODKRERPATK-HZPDHXFCSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748281 700873926 /nfs/dbraw/zinc/87/39/26/700873926.db2.gz WXWYODKRERPATK-HZPDHXFCSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCn3cccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756683 700892052 /nfs/dbraw/zinc/89/20/52/700892052.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 1 3 347.507 1.440 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CCn3cccn3)CC2(C)C)CC[N@H+]1C ZINC000940756683 700892054 /nfs/dbraw/zinc/89/20/54/700892054.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 1 3 347.507 1.440 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941432048 701538320 /nfs/dbraw/zinc/53/83/20/701538320.db2.gz ZORSWUZQMYPFMG-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CC3CCC3)C2)CC1 ZINC000941432048 701538321 /nfs/dbraw/zinc/53/83/21/701538321.db2.gz ZORSWUZQMYPFMG-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460300 701544239 /nfs/dbraw/zinc/54/42/39/701544239.db2.gz PDLUSDRZWYUYCL-GOSISDBHSA-N 1 3 334.508 1.099 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976346 701959558 /nfs/dbraw/zinc/95/95/58/701959558.db2.gz JJUSWNCCBKJGHP-BEFAXECRSA-N 1 3 345.487 1.483 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031976346 701959562 /nfs/dbraw/zinc/95/95/62/701959562.db2.gz JJUSWNCCBKJGHP-BEFAXECRSA-N 1 3 345.487 1.483 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791898 702086353 /nfs/dbraw/zinc/08/63/53/702086353.db2.gz FAPDERNDGNALEW-SJORKVTESA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791898 702086361 /nfs/dbraw/zinc/08/63/61/702086361.db2.gz FAPDERNDGNALEW-SJORKVTESA-N 1 3 347.507 1.620 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890449 702231872 /nfs/dbraw/zinc/23/18/72/702231872.db2.gz BBSKQVKSEAAGGO-DLBZAZTESA-N 1 3 330.476 1.748 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1)N(C)C ZINC000995946091 702292363 /nfs/dbraw/zinc/29/23/63/702292363.db2.gz GAKRKKMYGQVKMA-IAGOWNOFSA-N 1 3 339.524 1.970 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)N(C)C ZINC000995946834 702294468 /nfs/dbraw/zinc/29/44/68/702294468.db2.gz HPXFJDXSKJRRPP-CVEARBPZSA-N 1 3 325.497 1.580 20 0 EDADHO Cc1cccnc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155306 702448484 /nfs/dbraw/zinc/44/84/84/702448484.db2.gz MFRABYCYDVUBCU-DLBZAZTESA-N 1 3 342.487 1.812 20 0 EDADHO Cc1ccncc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944157355 702454405 /nfs/dbraw/zinc/45/44/05/702454405.db2.gz ZPILSFMBVFWFCF-FUHWJXTLSA-N 1 3 342.487 1.812 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCOC2)CC1 ZINC001032666188 706679753 /nfs/dbraw/zinc/67/97/53/706679753.db2.gz YSXHHGGAYQTBSX-BZSNNMDCSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@@H](NC1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999225571 706683205 /nfs/dbraw/zinc/68/32/05/706683205.db2.gz VULUWODJEGTVJX-QQFBHYJXSA-N 1 3 345.491 1.991 20 0 EDADHO Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC1(C)C ZINC000996310922 702700087 /nfs/dbraw/zinc/70/00/87/702700087.db2.gz QGUQRAKKUTUALU-MRXNPFEDSA-N 1 3 347.507 1.479 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996661073 702958466 /nfs/dbraw/zinc/95/84/66/702958466.db2.gz LFEPJEQPSXWPFU-MRXNPFEDSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996661073 702958468 /nfs/dbraw/zinc/95/84/68/702958468.db2.gz LFEPJEQPSXWPFU-MRXNPFEDSA-N 1 3 333.480 1.375 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(NCc2cnns2)CC1)[NH+](C)C ZINC000996699532 702997601 /nfs/dbraw/zinc/99/76/01/702997601.db2.gz YMMCQAOPUXHIAG-AWEZNQCLSA-N 1 3 325.482 1.205 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CCCCN3C)CC2)o1 ZINC000996717731 703011132 /nfs/dbraw/zinc/01/11/32/703011132.db2.gz CCIFJKSWHYWDKZ-MRXNPFEDSA-N 1 3 334.464 1.856 20 0 EDADHO O=C(N1CCC(NCc2cnns2)CC1)C12CCC[NH+]1CCC2 ZINC000996771693 703061926 /nfs/dbraw/zinc/06/19/26/703061926.db2.gz RNLAJTVXETZMOH-UHFFFAOYSA-N 1 3 335.477 1.247 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997000341 703257359 /nfs/dbraw/zinc/25/73/59/703257359.db2.gz PHAKTWUPJUOGDZ-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996996216 703259442 /nfs/dbraw/zinc/25/94/42/703259442.db2.gz WOJYYRYLFRROMP-CQSZACIVSA-N 1 3 334.439 1.786 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996934 703260680 /nfs/dbraw/zinc/26/06/80/703260680.db2.gz ATZRXEAACBCWQW-AWEZNQCLSA-N 1 3 336.505 1.608 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000997007254 703264562 /nfs/dbraw/zinc/26/45/62/703264562.db2.gz IZLDLJXOECGVJP-SUMWQHHRSA-N 1 3 346.475 1.830 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000997007254 703264564 /nfs/dbraw/zinc/26/45/64/703264564.db2.gz IZLDLJXOECGVJP-SUMWQHHRSA-N 1 3 346.475 1.830 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)ccn1 ZINC000997008776 703267201 /nfs/dbraw/zinc/26/72/01/703267201.db2.gz XDZKKJURHMBZKL-HNNXBMFYSA-N 1 3 346.475 1.513 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)n1 ZINC000997009062 703269752 /nfs/dbraw/zinc/26/97/52/703269752.db2.gz XTSVLVPTDVRSQU-OAHLLOKOSA-N 1 3 347.507 1.422 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC000997298400 703556509 /nfs/dbraw/zinc/55/65/09/703556509.db2.gz IYOBUVNFNUZGIH-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)sc1C ZINC000997298400 703556511 /nfs/dbraw/zinc/55/65/11/703556511.db2.gz IYOBUVNFNUZGIH-CQSZACIVSA-N 1 3 336.505 1.792 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999295058 706792330 /nfs/dbraw/zinc/79/23/30/706792330.db2.gz XRJVKJMYIYWTJJ-RDUJMCCZSA-N 1 3 334.464 1.792 20 0 EDADHO Cc1nocc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999295058 706792332 /nfs/dbraw/zinc/79/23/32/706792332.db2.gz XRJVKJMYIYWTJJ-RDUJMCCZSA-N 1 3 334.464 1.792 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1)C1CC1 ZINC000997831991 704750150 /nfs/dbraw/zinc/75/01/50/704750150.db2.gz XAUIABGPMWCPCE-KRWDZBQOSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)ccn2)CC1)N(C)C ZINC000997855001 704767035 /nfs/dbraw/zinc/76/70/35/704767035.db2.gz ITRVRWWMWODUOH-GOSISDBHSA-N 1 3 348.491 1.759 20 0 EDADHO COCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040462845 704832658 /nfs/dbraw/zinc/83/26/58/704832658.db2.gz DAMRVQJEURYFTI-LJQANCHMSA-N 1 3 337.508 1.679 20 0 EDADHO COCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040462845 704832662 /nfs/dbraw/zinc/83/26/62/704832662.db2.gz DAMRVQJEURYFTI-LJQANCHMSA-N 1 3 337.508 1.679 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999051854 706472642 /nfs/dbraw/zinc/47/26/42/706472642.db2.gz UAQRXQJRWOGFOC-UHFFFAOYSA-N 1 3 343.475 1.492 20 0 EDADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1)N1CCCCC1 ZINC000999154360 706584541 /nfs/dbraw/zinc/58/45/41/706584541.db2.gz UQCYDRLUESBDJJ-DLBZAZTESA-N 1 3 337.508 1.868 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CCC1 ZINC000999349237 706861478 /nfs/dbraw/zinc/86/14/78/706861478.db2.gz RYSHKPAUISBKRN-QZTJIDSGSA-N 1 3 345.487 1.785 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)C1CCC1 ZINC000999362913 706876422 /nfs/dbraw/zinc/87/64/22/706876422.db2.gz DPMIBNWGPDUXES-INIZCTEOSA-N 1 3 333.480 1.028 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC000999398997 706894005 /nfs/dbraw/zinc/89/40/05/706894005.db2.gz BJEXRVIKXASJAN-JQRITLKVSA-N 1 3 334.464 1.855 20 0 EDADHO Cc1nc(C)c(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)o1 ZINC000999398997 706894006 /nfs/dbraw/zinc/89/40/06/706894006.db2.gz BJEXRVIKXASJAN-JQRITLKVSA-N 1 3 334.464 1.855 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cn1 ZINC000999405185 706914143 /nfs/dbraw/zinc/91/41/43/706914143.db2.gz CMAYQVLZTOCLAB-NVPAJSRCSA-N 1 3 331.464 1.348 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408046 706917966 /nfs/dbraw/zinc/91/79/66/706917966.db2.gz ZUGFJROLRJOFAA-ZLPCBKJTSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)ncn1 ZINC000999410357 706920194 /nfs/dbraw/zinc/92/01/94/706920194.db2.gz VQIAUOPDFUVGJR-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)ncn1 ZINC000999410357 706920196 /nfs/dbraw/zinc/92/01/96/706920196.db2.gz VQIAUOPDFUVGJR-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999475319 706984209 /nfs/dbraw/zinc/98/42/09/706984209.db2.gz WHUAPVNCOKMFAZ-UHFFFAOYSA-N 1 3 340.387 1.268 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681850 707167262 /nfs/dbraw/zinc/16/72/62/707167262.db2.gz JWSRYPPFKJTCOF-IUDNXUCKSA-N 1 3 334.464 1.658 20 0 EDADHO CCc1nocc1CNC1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999681850 707167263 /nfs/dbraw/zinc/16/72/63/707167263.db2.gz JWSRYPPFKJTCOF-IUDNXUCKSA-N 1 3 334.464 1.658 20 0 EDADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CCN1C[C@@H]1CCOC1 ZINC001038555359 707179718 /nfs/dbraw/zinc/17/97/18/707179718.db2.gz LTQCKTQSICUWKG-WMZOPIPTSA-N 1 3 345.487 1.631 20 0 EDADHO CN(C)c1ccncc1C(=O)N(C)C1CC([NH2+]Cc2cscn2)C1 ZINC000999702094 707233078 /nfs/dbraw/zinc/23/30/78/707233078.db2.gz KEHQTZBMRSDLEL-UHFFFAOYSA-N 1 3 345.472 1.997 20 0 EDADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297451 707413489 /nfs/dbraw/zinc/41/34/89/707413489.db2.gz MWXVLZOLCCGYON-WBVHZDCISA-N 1 3 333.476 1.318 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946798416 707429858 /nfs/dbraw/zinc/42/98/58/707429858.db2.gz ZYQXCZWDYZWVKT-IYBDPMFKSA-N 1 3 339.443 1.718 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2CC1 ZINC000946798416 707429862 /nfs/dbraw/zinc/42/98/62/707429862.db2.gz ZYQXCZWDYZWVKT-IYBDPMFKSA-N 1 3 339.443 1.718 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cc(F)ccc2F)C1 ZINC000999833694 707465869 /nfs/dbraw/zinc/46/58/69/707465869.db2.gz BTQIPICRESLGKC-UWTIGNOOSA-N 1 3 337.414 1.996 20 0 EDADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cc(F)ccc2F)C1 ZINC000999833694 707465872 /nfs/dbraw/zinc/46/58/72/707465872.db2.gz BTQIPICRESLGKC-UWTIGNOOSA-N 1 3 337.414 1.996 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999876884 707525411 /nfs/dbraw/zinc/52/54/11/707525411.db2.gz VPNFAJHMAZBUHX-JCYILVPMSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993603 707670948 /nfs/dbraw/zinc/67/09/48/707670948.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 1 3 348.495 1.422 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999993603 707670951 /nfs/dbraw/zinc/67/09/51/707670951.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 1 3 348.495 1.422 20 0 EDADHO Cc1nocc1CN[C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974777 707805412 /nfs/dbraw/zinc/80/54/12/707805412.db2.gz AOPAJTLHPYPREY-WBVHZDCISA-N 1 3 346.475 1.938 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421717 707835664 /nfs/dbraw/zinc/83/56/64/707835664.db2.gz GUNBNBHHBAJZTL-GOSISDBHSA-N 1 3 333.476 1.583 20 0 EDADHO CCn1cc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC001005183688 708134305 /nfs/dbraw/zinc/13/43/05/708134305.db2.gz JNVMRODKWODUBP-SFHVURJKSA-N 1 3 347.507 1.463 20 0 EDADHO CO[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001001401204 708138058 /nfs/dbraw/zinc/13/80/58/708138058.db2.gz CKIRXUHFUZEJMH-NVXWUHKLSA-N 1 3 325.497 1.722 20 0 EDADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033830967 708852664 /nfs/dbraw/zinc/85/26/64/708852664.db2.gz QRXVAIDNTKFKFC-MJGOQNOKSA-N 1 3 349.519 1.820 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906364 709036415 /nfs/dbraw/zinc/03/64/15/709036415.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906364 709036419 /nfs/dbraw/zinc/03/64/19/709036419.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033907204 709038483 /nfs/dbraw/zinc/03/84/83/709038483.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 1 3 347.503 1.739 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001033907204 709038487 /nfs/dbraw/zinc/03/84/87/709038487.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 1 3 347.503 1.739 20 0 EDADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001034016026 709232612 /nfs/dbraw/zinc/23/26/12/709232612.db2.gz KPJUNYFYXSXAIU-IAGOWNOFSA-N 1 3 349.519 1.820 20 0 EDADHO CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319122 709768547 /nfs/dbraw/zinc/76/85/47/709768547.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319122 709768550 /nfs/dbraw/zinc/76/85/50/709768550.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 1 3 349.519 1.866 20 0 EDADHO O=C(NC1CC[NH+](CCC2CC2)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001003330333 710264241 /nfs/dbraw/zinc/26/42/41/710264241.db2.gz AVHGAXMAGLGNAC-URSIVYNOSA-N 1 3 333.476 1.230 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@@H+]1C ZINC001034647458 710324297 /nfs/dbraw/zinc/32/42/97/710324297.db2.gz IKUQGOZXACBCND-KLHDSHLOSA-N 1 3 333.480 1.277 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@H+]1C ZINC001034647458 710324298 /nfs/dbraw/zinc/32/42/98/710324298.db2.gz IKUQGOZXACBCND-KLHDSHLOSA-N 1 3 333.480 1.277 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632794 710461249 /nfs/dbraw/zinc/46/12/49/710461249.db2.gz CIXQUAKKURLQFE-MAUKXSAKSA-N 1 3 347.507 1.224 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632794 710461250 /nfs/dbraw/zinc/46/12/50/710461250.db2.gz CIXQUAKKURLQFE-MAUKXSAKSA-N 1 3 347.507 1.224 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034775761 711050348 /nfs/dbraw/zinc/05/03/48/711050348.db2.gz UCAFMCVKPNPFJT-BRWVUGGUSA-N 1 3 325.497 1.650 20 0 EDADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778350 711079534 /nfs/dbraw/zinc/07/95/34/711079534.db2.gz HYXSZFIYOBCIKV-JYJNAYRXSA-N 1 3 333.480 1.279 20 0 EDADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034778350 711079538 /nfs/dbraw/zinc/07/95/38/711079538.db2.gz HYXSZFIYOBCIKV-JYJNAYRXSA-N 1 3 333.480 1.279 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001003977773 711150741 /nfs/dbraw/zinc/15/07/41/711150741.db2.gz XECQTOFLUOQDAI-OAHLLOKOSA-N 1 3 349.479 1.233 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001003977773 711150746 /nfs/dbraw/zinc/15/07/46/711150746.db2.gz XECQTOFLUOQDAI-OAHLLOKOSA-N 1 3 349.479 1.233 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034954903 711421830 /nfs/dbraw/zinc/42/18/30/711421830.db2.gz XCNSBPOSZVZQSA-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034954903 711421833 /nfs/dbraw/zinc/42/18/33/711421833.db2.gz XCNSBPOSZVZQSA-SJORKVTESA-N 1 3 333.480 1.375 20 0 EDADHO C[C@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000051758577 214103706 /nfs/dbraw/zinc/10/37/06/214103706.db2.gz DXKBFSZUMYZKMR-GJZGRUSLSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000558722702 306245953 /nfs/dbraw/zinc/24/59/53/306245953.db2.gz OIKMTBQXGQSMGE-ARFHVFGLSA-N 1 3 343.537 1.511 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000560315372 306264183 /nfs/dbraw/zinc/26/41/83/306264183.db2.gz SKPWKGPKCQJNNT-HNNXBMFYSA-N 1 3 340.512 1.166 20 0 EDADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000563088873 306318457 /nfs/dbraw/zinc/31/84/57/306318457.db2.gz ANFIOJJZSKCSNK-RTBURBONSA-N 1 3 344.503 1.183 20 0 EDADHO C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)CN1CCN(C)CC1 ZINC000563499050 306335883 /nfs/dbraw/zinc/33/58/83/306335883.db2.gz JYEMTRMAVYZNSB-OAHLLOKOSA-N 1 3 345.491 1.337 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CCc3ccccn3)CC2)CC1 ZINC000050797292 138133102 /nfs/dbraw/zinc/13/31/02/138133102.db2.gz CMNHPTIDYIVXGB-UHFFFAOYSA-N 1 3 330.476 1.689 20 0 EDADHO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028786 138277400 /nfs/dbraw/zinc/27/74/00/138277400.db2.gz VTKUADBPMRYECT-QAPCUYQASA-N 1 3 331.460 1.779 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114789483 138310531 /nfs/dbraw/zinc/31/05/31/138310531.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114789483 138310532 /nfs/dbraw/zinc/31/05/32/138310532.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO O=c1c2ccccc2ncn1CCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563668504 306344364 /nfs/dbraw/zinc/34/43/64/306344364.db2.gz ACDQHDCDBLVGST-QGZVFWFLSA-N 1 3 326.444 1.861 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000344177758 283260051 /nfs/dbraw/zinc/26/00/51/283260051.db2.gz SBWJTUXZBRIVCS-KDURUIRLSA-N 1 3 338.540 1.199 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000344177758 283260054 /nfs/dbraw/zinc/26/00/54/283260054.db2.gz SBWJTUXZBRIVCS-KDURUIRLSA-N 1 3 338.540 1.199 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000186724341 235997118 /nfs/dbraw/zinc/99/71/18/235997118.db2.gz UQVSLVHOPMDKDV-FUHWJXTLSA-N 1 3 330.476 1.313 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321458 306358207 /nfs/dbraw/zinc/35/82/07/306358207.db2.gz KZFGMBKIUOUPND-GJZGRUSLSA-N 1 3 336.432 1.477 20 0 EDADHO CCOc1cccc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000414478053 304117744 /nfs/dbraw/zinc/11/77/44/304117744.db2.gz DAIALMIBETXBAU-UHFFFAOYSA-N 1 3 348.491 1.367 20 0 EDADHO CN(C)Cc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc1 ZINC000414480480 304117932 /nfs/dbraw/zinc/11/79/32/304117932.db2.gz KHNPRPYPYLRICU-UHFFFAOYSA-N 1 3 341.419 1.796 20 0 EDADHO CCCn1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414490464 304119813 /nfs/dbraw/zinc/11/98/13/304119813.db2.gz XPLHUKPPZOSOQD-UHFFFAOYSA-N 1 3 335.496 1.179 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699115 304129497 /nfs/dbraw/zinc/12/94/97/304129497.db2.gz RRGDXXLPJPCXFM-ZBFHGGJFSA-N 1 3 345.443 1.750 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699115 304129499 /nfs/dbraw/zinc/12/94/99/304129499.db2.gz RRGDXXLPJPCXFM-ZBFHGGJFSA-N 1 3 345.443 1.750 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000359350372 283921502 /nfs/dbraw/zinc/92/15/02/283921502.db2.gz XKQBSGYWEDIKON-IKGGRYGDSA-N 1 3 325.497 1.865 20 0 EDADHO C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703103 304129870 /nfs/dbraw/zinc/12/98/70/304129870.db2.gz LRWKSRSQWLFQQO-HNNXBMFYSA-N 1 3 337.439 1.724 20 0 EDADHO C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703103 304129872 /nfs/dbraw/zinc/12/98/72/304129872.db2.gz LRWKSRSQWLFQQO-HNNXBMFYSA-N 1 3 337.439 1.724 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000414701683 304130026 /nfs/dbraw/zinc/13/00/26/304130026.db2.gz KNZWXVITVDMKRL-RBSFLKMASA-N 1 3 346.475 1.881 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000414731727 304134131 /nfs/dbraw/zinc/13/41/31/304134131.db2.gz AQGZQKDMYWLQKC-ILXRZTDVSA-N 1 3 346.475 1.881 20 0 EDADHO CN1CCN(c2ncc(C[NH2+]C[C@@H](N)c3ccccc3)cn2)CC1 ZINC000414827196 304145304 /nfs/dbraw/zinc/14/53/04/304145304.db2.gz GVNCWPIDWFOVGH-QGZVFWFLSA-N 1 3 326.448 1.018 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COCc1cccc(Cl)c1 ZINC000567134043 306438978 /nfs/dbraw/zinc/43/89/78/306438978.db2.gz QLVXLDIPVPTUHP-UHFFFAOYSA-N 1 3 341.883 1.808 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000415093788 304158908 /nfs/dbraw/zinc/15/89/08/304158908.db2.gz VYPUSQYYJVFHMP-OAHLLOKOSA-N 1 3 327.432 1.159 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000195154419 139008097 /nfs/dbraw/zinc/00/80/97/139008097.db2.gz INJKOMHQFSISQF-LJQANCHMSA-N 1 3 344.503 1.440 20 0 EDADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000237065215 139039603 /nfs/dbraw/zinc/03/96/03/139039603.db2.gz WSVDVLQCUSOPMT-QXAKKESOSA-N 1 3 346.519 1.855 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N(C)C3CC[NH2+]CC3)CC2)c1 ZINC000237068498 139039615 /nfs/dbraw/zinc/03/96/15/139039615.db2.gz VWDTWITYPJYLSW-UHFFFAOYSA-N 1 3 344.503 1.718 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000237189456 139043449 /nfs/dbraw/zinc/04/34/49/139043449.db2.gz HPAGXSDGYSYTBL-OAHLLOKOSA-N 1 3 333.476 1.879 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)C[C@@H](N)c3ccccc3)CC2)CC1 ZINC000237164086 139042762 /nfs/dbraw/zinc/04/27/62/139042762.db2.gz JWGBXNCAJMCWFF-LJQANCHMSA-N 1 3 344.503 1.751 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237196899 139043707 /nfs/dbraw/zinc/04/37/07/139043707.db2.gz DLZJZDGHWMQDHZ-CQSZACIVSA-N 1 3 325.478 1.312 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237196899 139043708 /nfs/dbraw/zinc/04/37/08/139043708.db2.gz DLZJZDGHWMQDHZ-CQSZACIVSA-N 1 3 325.478 1.312 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H](C)C1 ZINC000415189567 304172886 /nfs/dbraw/zinc/17/28/86/304172886.db2.gz HHFUHKFLUADAHH-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C23CCCN2CCC3)[C@H](C)C1 ZINC000415189567 304172887 /nfs/dbraw/zinc/17/28/87/304172887.db2.gz HHFUHKFLUADAHH-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H]2CSCCN2)C1 ZINC000237545656 139053695 /nfs/dbraw/zinc/05/36/95/139053695.db2.gz CELYPPPZYSOQCQ-RBSFLKMASA-N 1 3 327.538 1.954 20 0 EDADHO C[C@@](C[NH3+])(NC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000237621937 139055954 /nfs/dbraw/zinc/05/59/54/139055954.db2.gz RFSJLRJPHANJSI-IBGZPJMESA-N 1 3 330.476 1.442 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1 ZINC000415224498 304175908 /nfs/dbraw/zinc/17/59/08/304175908.db2.gz HGADWMGSCLNTNO-JKIFEVAISA-N 1 3 344.459 1.730 20 0 EDADHO COc1cc(CNC(=O)C2CC[NH+](C)CC2)ccc1OCCN(C)C ZINC000081314857 217381677 /nfs/dbraw/zinc/38/16/77/217381677.db2.gz FCGWSFQDHQDEPE-UHFFFAOYSA-N 1 3 349.475 1.594 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000247023038 139131722 /nfs/dbraw/zinc/13/17/22/139131722.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 1 3 348.491 1.656 20 0 EDADHO CC1(C)NC(=O)N(CCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000247023038 139131723 /nfs/dbraw/zinc/13/17/23/139131723.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 1 3 348.491 1.656 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000247649776 139153364 /nfs/dbraw/zinc/15/33/64/139153364.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000247649776 139153365 /nfs/dbraw/zinc/15/33/65/139153365.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415411654 304216681 /nfs/dbraw/zinc/21/66/81/304216681.db2.gz BJIVXGAQNUEEIP-OAHLLOKOSA-N 1 3 346.475 1.663 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000269229463 284767767 /nfs/dbraw/zinc/76/77/67/284767767.db2.gz HMRGKFHPERTOBA-CABCVRRESA-N 1 3 325.478 1.626 20 0 EDADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000250110353 139200426 /nfs/dbraw/zinc/20/04/26/139200426.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)CN1CCN(C)CC1 ZINC000250110353 139200427 /nfs/dbraw/zinc/20/04/27/139200427.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)CN1Cc1ccccc1 ZINC000261613962 139211061 /nfs/dbraw/zinc/21/10/61/139211061.db2.gz BOCWOFGZJSXNKB-OLMNPRSZSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@H]([NH3+])CC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000261701921 139218878 /nfs/dbraw/zinc/21/88/78/139218878.db2.gz CRFQIHYZVFIYDN-IRXDYDNUSA-N 1 3 345.491 1.180 20 0 EDADHO COc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000261746458 139222686 /nfs/dbraw/zinc/22/26/86/139222686.db2.gz UFKJAOVSRPQRSA-CQSZACIVSA-N 1 3 341.402 1.776 20 0 EDADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819630 139228791 /nfs/dbraw/zinc/22/87/91/139228791.db2.gz XVGNVCAQKFNTBR-IBGZPJMESA-N 1 3 344.459 1.813 20 0 EDADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819630 139228792 /nfs/dbraw/zinc/22/87/92/139228792.db2.gz XVGNVCAQKFNTBR-IBGZPJMESA-N 1 3 344.459 1.813 20 0 EDADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819630 139228793 /nfs/dbraw/zinc/22/87/93/139228793.db2.gz XVGNVCAQKFNTBR-IBGZPJMESA-N 1 3 344.459 1.813 20 0 EDADHO COc1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000262107248 139251370 /nfs/dbraw/zinc/25/13/70/139251370.db2.gz JVJRCPYSUPFKHM-QGZVFWFLSA-N 1 3 333.476 1.962 20 0 EDADHO CCN(CCO)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415948871 251038873 /nfs/dbraw/zinc/03/88/73/251038873.db2.gz DVRKTQDOLHPPIL-UHFFFAOYSA-N 1 3 348.369 1.600 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1CN(C)C ZINC000415775867 251025913 /nfs/dbraw/zinc/02/59/13/251025913.db2.gz HJLQVWWECSEFEY-WBVHZDCISA-N 1 3 344.459 1.206 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415969354 251041125 /nfs/dbraw/zinc/04/11/25/251041125.db2.gz GLQVWVIRBWOERD-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415969354 251041128 /nfs/dbraw/zinc/04/11/28/251041128.db2.gz GLQVWVIRBWOERD-UHFFFAOYSA-N 1 3 336.436 1.258 20 0 EDADHO CN(CCCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000416874303 251114148 /nfs/dbraw/zinc/11/41/48/251114148.db2.gz PHBYYKGANKLHCT-BZSNNMDCSA-N 1 3 330.476 1.887 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417007442 251129152 /nfs/dbraw/zinc/12/91/52/251129152.db2.gz KUGLZTFALPOGNL-LSDHHAIUSA-N 1 3 340.493 1.500 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088489 251141548 /nfs/dbraw/zinc/14/15/48/251141548.db2.gz HHBZKBJZUSUNNO-IAGOWNOFSA-N 1 3 340.512 1.518 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000417309534 251154189 /nfs/dbraw/zinc/15/41/89/251154189.db2.gz IUCBDPWVNLEMID-KSZLIROESA-N 1 3 330.476 1.849 20 0 EDADHO C[C@@H]([NH3+])CCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417625821 251208861 /nfs/dbraw/zinc/20/88/61/251208861.db2.gz MXUBJJJYSKJVDT-CQSZACIVSA-N 1 3 328.526 1.775 20 0 EDADHO C[C@H]([NH3+])C1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000262419721 139277990 /nfs/dbraw/zinc/27/79/90/139277990.db2.gz DXCJRTAQUTYNBC-ZDUSSCGKSA-N 1 3 325.478 1.496 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000417836405 251292566 /nfs/dbraw/zinc/29/25/66/251292566.db2.gz OQHZJFPNYHRIQR-DZGCQCFKSA-N 1 3 327.432 1.479 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417806659 251278139 /nfs/dbraw/zinc/27/81/39/251278139.db2.gz IZCKXLULQYDCEA-HOTGVXAUSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CN1Cc1ccccc1 ZINC000417880110 251310614 /nfs/dbraw/zinc/31/06/14/251310614.db2.gz SLOKPBBSLZPRFX-DDBAPUKQSA-N 1 3 328.460 1.653 20 0 EDADHO C[C@@H](NC(=O)NCc1ccncc1OCCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000418196279 251355099 /nfs/dbraw/zinc/35/50/99/251355099.db2.gz RAGPFLRBCBGQAD-CABCVRRESA-N 1 3 349.479 1.209 20 0 EDADHO CN(CCCN(C)C(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccco1 ZINC000418715010 251393269 /nfs/dbraw/zinc/39/32/69/251393269.db2.gz QQSUUYIYFDHLNM-ZDUSSCGKSA-N 1 3 332.395 1.725 20 0 EDADHO CC[C@H](N)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262665358 139294559 /nfs/dbraw/zinc/29/45/59/139294559.db2.gz IZSYATFYVJDCIY-HNNXBMFYSA-N 1 3 333.436 1.578 20 0 EDADHO C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC(C)CC1 ZINC000262729292 139299446 /nfs/dbraw/zinc/29/94/46/139299446.db2.gz HUWBGNTXLJQPLC-HOTGVXAUSA-N 1 3 333.480 1.658 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000422874754 252007548 /nfs/dbraw/zinc/00/75/48/252007548.db2.gz AZZZYZWDGDYYHH-WDSOQIARSA-N 1 3 346.519 1.477 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCOC1C[NH2+]C1 ZINC000423736228 252067151 /nfs/dbraw/zinc/06/71/51/252067151.db2.gz BGEFVOAKBZQMBX-UHFFFAOYSA-N 1 3 341.402 1.234 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000422913233 252020855 /nfs/dbraw/zinc/02/08/55/252020855.db2.gz POTPRRGNJNPDDM-QFBILLFUSA-N 1 3 344.503 1.600 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)N(CC)CC ZINC000424015288 252114819 /nfs/dbraw/zinc/11/48/19/252114819.db2.gz YRUBDTMOGQOMRR-BBWFWOEESA-N 1 3 325.497 1.852 20 0 EDADHO CC[C@]1(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)CCC[NH2+]1 ZINC000423786881 252073886 /nfs/dbraw/zinc/07/38/86/252073886.db2.gz BRGSCWPGKOMMJV-IEBWSBKVSA-N 1 3 330.476 1.894 20 0 EDADHO O=C(CNC[C@H]1CCCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423790456 252076118 /nfs/dbraw/zinc/07/61/18/252076118.db2.gz UEZFQOMVDCFLKP-QGZVFWFLSA-N 1 3 332.448 1.183 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424135270 252137828 /nfs/dbraw/zinc/13/78/28/252137828.db2.gz OTEJSAAZTANMNM-CVEARBPZSA-N 1 3 345.491 1.588 20 0 EDADHO Cc1ccc2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298147 252191181 /nfs/dbraw/zinc/19/11/81/252191181.db2.gz TZJIZYHXTOHYKU-HNNXBMFYSA-N 1 3 326.444 1.967 20 0 EDADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCN3CCN(CCO)CC3)C[C@H]2C1 ZINC000424308666 252194545 /nfs/dbraw/zinc/19/45/45/252194545.db2.gz GVUZSPVGUOSYLG-QGFMHUBQSA-N 1 3 339.524 1.170 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000424466177 252241353 /nfs/dbraw/zinc/24/13/53/252241353.db2.gz LAGXTZWZWZQHPZ-RHSMWYFYSA-N 1 3 344.459 1.477 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000424437034 252229970 /nfs/dbraw/zinc/22/99/70/252229970.db2.gz IHKJSKGDCYFTIQ-MRXNPFEDSA-N 1 3 334.464 1.485 20 0 EDADHO O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482184 252249472 /nfs/dbraw/zinc/24/94/72/252249472.db2.gz SZJIDBRHOPJSPR-OKZBNKHCSA-N 1 3 328.460 1.654 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182476844 285009896 /nfs/dbraw/zinc/00/98/96/285009896.db2.gz UVCXAZYZZAIOPR-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182476844 285009897 /nfs/dbraw/zinc/00/98/97/285009897.db2.gz UVCXAZYZZAIOPR-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000263227736 139329654 /nfs/dbraw/zinc/32/96/54/139329654.db2.gz GXCNGRLESGSXNU-SFHVURJKSA-N 1 3 348.491 1.243 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000263227736 139329655 /nfs/dbraw/zinc/32/96/55/139329655.db2.gz GXCNGRLESGSXNU-SFHVURJKSA-N 1 3 348.491 1.243 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263249471 139330871 /nfs/dbraw/zinc/33/08/71/139330871.db2.gz OEWCEOATRLKEMN-SFHVURJKSA-N 1 3 348.491 1.243 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263249471 139330872 /nfs/dbraw/zinc/33/08/72/139330872.db2.gz OEWCEOATRLKEMN-SFHVURJKSA-N 1 3 348.491 1.243 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000415668458 304252630 /nfs/dbraw/zinc/25/26/30/304252630.db2.gz GDSXVPBXZUVSCE-WMLDXEAASA-N 1 3 346.475 1.724 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458382310 285204449 /nfs/dbraw/zinc/20/44/49/285204449.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458382310 285204450 /nfs/dbraw/zinc/20/44/50/285204450.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000459043884 285245107 /nfs/dbraw/zinc/24/51/07/285245107.db2.gz JJQGLXXJKLRZFD-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000459043884 285245109 /nfs/dbraw/zinc/24/51/09/285245109.db2.gz JJQGLXXJKLRZFD-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnc(N(C)C)n1 ZINC000349039988 285282467 /nfs/dbraw/zinc/28/24/67/285282467.db2.gz ZWKMMDKWLAZNTC-KRWDZBQOSA-N 1 3 334.512 1.391 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnc(N(C)C)n1 ZINC000349039988 285282469 /nfs/dbraw/zinc/28/24/69/285282469.db2.gz ZWKMMDKWLAZNTC-KRWDZBQOSA-N 1 3 334.512 1.391 20 0 EDADHO CCN1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000263943182 139371342 /nfs/dbraw/zinc/37/13/42/139371342.db2.gz BJGFZENVHYAXBG-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO CCN(CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000118120455 221123224 /nfs/dbraw/zinc/12/32/24/221123224.db2.gz YNGPZMNNWMEXAZ-UHFFFAOYSA-N 1 3 346.475 1.330 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000118879799 221200268 /nfs/dbraw/zinc/20/02/68/221200268.db2.gz VHDGEDPWDWCHQX-INIZCTEOSA-N 1 3 335.492 1.622 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000118879799 221200269 /nfs/dbraw/zinc/20/02/69/221200269.db2.gz VHDGEDPWDWCHQX-INIZCTEOSA-N 1 3 335.492 1.622 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1CN(C)C ZINC000415870211 304283219 /nfs/dbraw/zinc/28/32/19/304283219.db2.gz OMTJGFFNCQGMLK-HOTGVXAUSA-N 1 3 344.459 1.063 20 0 EDADHO CSCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381510 533605192 /nfs/dbraw/zinc/60/51/92/533605192.db2.gz IAGROUHFJLQPFY-IAGOWNOFSA-N 1 3 335.517 1.748 20 0 EDADHO CSCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381510 533605196 /nfs/dbraw/zinc/60/51/96/533605196.db2.gz IAGROUHFJLQPFY-IAGOWNOFSA-N 1 3 335.517 1.748 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000416244437 304300241 /nfs/dbraw/zinc/30/02/41/304300241.db2.gz VVKNUVPMBCEMEJ-ZWKOTPCHSA-N 1 3 333.476 1.642 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271806901 140353654 /nfs/dbraw/zinc/35/36/54/140353654.db2.gz YJHQGSUDPVZBDA-HIFRSBDPSA-N 1 3 343.493 1.341 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000416304413 304307806 /nfs/dbraw/zinc/30/78/06/304307806.db2.gz UZRCBWGPQFYBTE-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615192 141057481 /nfs/dbraw/zinc/05/74/81/141057481.db2.gz SJBUCSYUAYGGJX-CYGHRXIMSA-N 1 3 330.476 1.886 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000333295867 141294305 /nfs/dbraw/zinc/29/43/05/141294305.db2.gz LTYCWCOQJXWJMJ-ROUUACIJSA-N 1 3 337.508 1.602 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333312109 141297313 /nfs/dbraw/zinc/29/73/13/141297313.db2.gz LUHOJKIHADYMKL-OIISXLGYSA-N 1 3 343.475 1.988 20 0 EDADHO C[C@@H](CCNC(=O)NCC1(O)CCN(C)CC1)[NH+]1CCCCC1 ZINC000345829427 143137613 /nfs/dbraw/zinc/13/76/13/143137613.db2.gz BYLRQOVFSAPBRB-HNNXBMFYSA-N 1 3 326.485 1.007 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916412 143146698 /nfs/dbraw/zinc/14/66/98/143146698.db2.gz IYYYPQOBDRTOCN-DLBZAZTESA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)N(C)C1 ZINC000346700962 143234363 /nfs/dbraw/zinc/23/43/63/143234363.db2.gz JBFNEWMVTSBBTC-JKSUJKDBSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270211 /nfs/dbraw/zinc/27/02/11/143270211.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270212 /nfs/dbraw/zinc/27/02/12/143270212.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270213 /nfs/dbraw/zinc/27/02/13/143270213.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 1 3 340.464 1.389 20 0 EDADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270214 /nfs/dbraw/zinc/27/02/14/143270214.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 1 3 340.464 1.389 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1 ZINC000347983594 143387336 /nfs/dbraw/zinc/38/73/36/143387336.db2.gz BRSJBOVCRMQQBN-OWCLPIDISA-N 1 3 325.497 1.865 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000416842255 304350442 /nfs/dbraw/zinc/35/04/42/304350442.db2.gz MYZCQIFLTDSLPI-OKZBNKHCSA-N 1 3 332.492 1.976 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])N2CCCC2)c1 ZINC000416855517 304352052 /nfs/dbraw/zinc/35/20/52/304352052.db2.gz QEOSGNVSDLRDQC-RHSMWYFYSA-N 1 3 334.464 1.726 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cn1 ZINC000352829364 149184124 /nfs/dbraw/zinc/18/41/24/149184124.db2.gz QNHYFUCOWHGCHT-QGZVFWFLSA-N 1 3 348.491 1.507 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(OC)cn1 ZINC000352829364 149184127 /nfs/dbraw/zinc/18/41/27/149184127.db2.gz QNHYFUCOWHGCHT-QGZVFWFLSA-N 1 3 348.491 1.507 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000369919332 155232524 /nfs/dbraw/zinc/23/25/24/155232524.db2.gz KWHGTASESDYCJZ-YKTARERQSA-N 1 3 337.508 1.613 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000369919332 155232526 /nfs/dbraw/zinc/23/25/26/155232526.db2.gz KWHGTASESDYCJZ-YKTARERQSA-N 1 3 337.508 1.613 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)N1CCN(C)CC1 ZINC000416959978 304355251 /nfs/dbraw/zinc/35/52/51/304355251.db2.gz QIPTUZRSXUNUKO-IAGOWNOFSA-N 1 3 339.528 1.075 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)N(C)C1 ZINC000347957691 286105860 /nfs/dbraw/zinc/10/58/60/286105860.db2.gz KOXXQMQUPVJPBY-CVEARBPZSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416973502 304358760 /nfs/dbraw/zinc/35/87/60/304358760.db2.gz VDOURWAXIOOLRE-ZBFHGGJFSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc(OCCN(C)C)c2)CC1 ZINC000416980896 304360789 /nfs/dbraw/zinc/36/07/89/304360789.db2.gz ZFQJIFZGRVNFNC-HNNXBMFYSA-N 1 3 348.491 1.896 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CNCCO2)c1 ZINC000416981486 304360867 /nfs/dbraw/zinc/36/08/67/304360867.db2.gz LBYHCAKNGDRECI-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)[C@@H](C[NH3+])C1 ZINC000417060198 304367825 /nfs/dbraw/zinc/36/78/25/304367825.db2.gz DFBYKSQQILCOCI-IAGOWNOFSA-N 1 3 334.464 1.396 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972687 151216585 /nfs/dbraw/zinc/21/65/85/151216585.db2.gz JZZGOFPQZVBUIL-UONOGXRCSA-N 1 3 328.526 1.596 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358491433 151393235 /nfs/dbraw/zinc/39/32/35/151393235.db2.gz FFBPTNQUHVPBOK-BZUAXINKSA-N 1 3 340.512 1.467 20 0 EDADHO CSC1(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000360695738 152156589 /nfs/dbraw/zinc/15/65/89/152156589.db2.gz PUDLKYHZDABBHS-GJZGRUSLSA-N 1 3 342.553 1.795 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000360939623 152258877 /nfs/dbraw/zinc/25/88/77/152258877.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 1 3 331.508 1.524 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC000364217103 153177544 /nfs/dbraw/zinc/17/75/44/153177544.db2.gz SYKPKBWHXRKZSX-CMKODMSKSA-N 1 3 343.471 1.948 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1 ZINC000367111108 154011955 /nfs/dbraw/zinc/01/19/55/154011955.db2.gz RWKSFRSHANLXON-SFHVURJKSA-N 1 3 345.487 1.933 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000367975728 154351367 /nfs/dbraw/zinc/35/13/67/154351367.db2.gz BVPZEENPNGJWPQ-DLBZAZTESA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCCOCC1 ZINC000368042753 154382407 /nfs/dbraw/zinc/38/24/07/154382407.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 1 3 325.497 1.188 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCCN1CCCOCC1 ZINC000368042753 154382408 /nfs/dbraw/zinc/38/24/08/154382408.db2.gz OGPKNZXHAYVYPQ-FGTMMUONSA-N 1 3 325.497 1.188 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829451 156127629 /nfs/dbraw/zinc/12/76/29/156127629.db2.gz AXCBMEYYYPNWHL-GOSISDBHSA-N 1 3 347.507 1.925 20 0 EDADHO C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CN1 ZINC000417531871 304404068 /nfs/dbraw/zinc/40/40/68/304404068.db2.gz VDDHYMYGEZBMIQ-HOTGVXAUSA-N 1 3 348.491 1.561 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378116848 158082813 /nfs/dbraw/zinc/08/28/13/158082813.db2.gz CVRSBLGYCHMJAX-HRCADAONSA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000378116848 158082816 /nfs/dbraw/zinc/08/28/16/158082816.db2.gz CVRSBLGYCHMJAX-HRCADAONSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000417950742 304436430 /nfs/dbraw/zinc/43/64/30/304436430.db2.gz MGJVCZFISHPEKX-HOCLYGCPSA-N 1 3 349.479 1.291 20 0 EDADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488337 162208560 /nfs/dbraw/zinc/20/85/60/162208560.db2.gz OXUMGHAYXQSQKG-QGZVFWFLSA-N 1 3 345.491 1.324 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC[NH+]3CCCC3)CC2)c1 ZINC000072826371 287257396 /nfs/dbraw/zinc/25/73/96/287257396.db2.gz WOVFQWPWLFUINU-UHFFFAOYSA-N 1 3 344.503 1.719 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(N(C)C)c1 ZINC000077802596 287290285 /nfs/dbraw/zinc/29/02/85/287290285.db2.gz IABKAPDYEXKJFK-UHFFFAOYSA-N 1 3 335.496 1.387 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccnc1N1CCN(C)CC1 ZINC000158475623 225023632 /nfs/dbraw/zinc/02/36/32/225023632.db2.gz QRIDMOGUOMUESG-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccnc1N1CCN(C)CC1 ZINC000158475623 225023636 /nfs/dbraw/zinc/02/36/36/225023636.db2.gz QRIDMOGUOMUESG-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO O=C(Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000166931016 226175181 /nfs/dbraw/zinc/17/51/81/226175181.db2.gz RKCKGTJLMSEXQO-QGZVFWFLSA-N 1 3 331.460 1.829 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000665760413 452332849 /nfs/dbraw/zinc/33/28/49/452332849.db2.gz IQDALTJHBZGFQL-LSDHHAIUSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000665760413 452332858 /nfs/dbraw/zinc/33/28/58/452332858.db2.gz IQDALTJHBZGFQL-LSDHHAIUSA-N 1 3 328.501 1.203 20 0 EDADHO C[C@@]1(C(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]C1 ZINC000237574103 273010905 /nfs/dbraw/zinc/01/09/05/273010905.db2.gz BIDACSHDEDIFKL-MRXNPFEDSA-N 1 3 325.522 1.854 20 0 EDADHO CN1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024693 /nfs/dbraw/zinc/02/46/93/273024693.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 1 3 346.475 1.100 20 0 EDADHO CN1CCCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024695 /nfs/dbraw/zinc/02/46/95/273024695.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 1 3 346.475 1.100 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275638185 268367157 /nfs/dbraw/zinc/36/71/57/268367157.db2.gz ODYXMRXCPVPDHQ-UHFFFAOYSA-N 1 3 348.491 1.577 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CN(Cc2ccccc2)C1 ZINC000274350467 273087169 /nfs/dbraw/zinc/08/71/69/273087169.db2.gz KKCVJXURINHIOQ-HKUYNNGSSA-N 1 3 331.504 1.943 20 0 EDADHO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000353547029 276253679 /nfs/dbraw/zinc/25/36/79/276253679.db2.gz XVXPPGZDHGOFRH-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414897672 276331823 /nfs/dbraw/zinc/33/18/23/276331823.db2.gz CCWIXXOXNIMFTQ-AWEZNQCLSA-N 1 3 344.459 1.419 20 0 EDADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415113306 277573658 /nfs/dbraw/zinc/57/36/58/277573658.db2.gz DYFPPIODYUWFDD-AWEZNQCLSA-N 1 3 332.448 1.465 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200265 278435700 /nfs/dbraw/zinc/43/57/00/278435700.db2.gz HVXFGPDIASYDBJ-MDZRGWNJSA-N 1 3 337.508 1.901 20 0 EDADHO CCN(CCO)CC[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000346242689 279209125 /nfs/dbraw/zinc/20/91/25/279209125.db2.gz SYAMGEDLEHQIQF-UHFFFAOYSA-N 1 3 334.508 1.232 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000339550136 297275433 /nfs/dbraw/zinc/27/54/33/297275433.db2.gz ZOOVXCVQXOGVJJ-DJIMGWMZSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC1(CNC(=O)C(=O)NCCC[NH3+])CCCC1)c1ccccc1 ZINC000418870414 304542059 /nfs/dbraw/zinc/54/20/59/304542059.db2.gz UBLUBILBKDVGMM-HNNXBMFYSA-N 1 3 346.475 1.231 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)(C)C ZINC000419128793 304567970 /nfs/dbraw/zinc/56/79/70/304567970.db2.gz BYDKHOHMJQGVGY-CVEARBPZSA-N 1 3 348.491 1.285 20 0 EDADHO C[C@H](NC(=O)C(=O)N[C@@H](CN)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535867 304632647 /nfs/dbraw/zinc/63/26/47/304632647.db2.gz AFGXCZICGXBTLJ-ZFWWWQNUSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000333941983 300142133 /nfs/dbraw/zinc/14/21/33/300142133.db2.gz POWKSLCAGVVKNR-GJZGRUSLSA-N 1 3 340.537 1.727 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419983165 304720318 /nfs/dbraw/zinc/72/03/18/304720318.db2.gz BUJHJIKDPXGMIT-CVEARBPZSA-N 1 3 340.512 1.056 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642832 447314875 /nfs/dbraw/zinc/31/48/75/447314875.db2.gz GDRNCFYYZNGCRZ-HOCLYGCPSA-N 1 3 348.491 1.332 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653468 447322435 /nfs/dbraw/zinc/32/24/35/447322435.db2.gz QVIFCUFSYLEUGW-BBRMVZONSA-N 1 3 346.475 1.086 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653472 447322903 /nfs/dbraw/zinc/32/29/03/447322903.db2.gz QVIFCUFSYLEUGW-XJKSGUPXSA-N 1 3 346.475 1.086 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414765863 447324043 /nfs/dbraw/zinc/32/40/43/447324043.db2.gz CUDUHJISXUWUKL-MOPGFXCFSA-N 1 3 341.459 1.904 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000296349993 303312385 /nfs/dbraw/zinc/31/23/85/303312385.db2.gz IYUSYXPCTVIMOA-QGZVFWFLSA-N 1 3 346.519 1.828 20 0 EDADHO [NH3+]C1(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333605555 303358264 /nfs/dbraw/zinc/35/82/64/303358264.db2.gz XDFSYWMWTZBSKE-ORPJZTTNSA-N 1 3 344.503 1.796 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000414856599 447330908 /nfs/dbraw/zinc/33/09/08/447330908.db2.gz OMLJMZKDSXHHEK-YOEHRIQHSA-N 1 3 344.459 1.732 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000333948984 303808822 /nfs/dbraw/zinc/80/88/22/303808822.db2.gz WVNZMWLWRSTCHB-AWEZNQCLSA-N 1 3 326.510 1.257 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882937 447342316 /nfs/dbraw/zinc/34/23/16/447342316.db2.gz SOXVCVRVNRNMPQ-CZUORRHYSA-N 1 3 332.448 1.635 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)C(C)(C)C ZINC000458399913 447346159 /nfs/dbraw/zinc/34/61/59/447346159.db2.gz GIKGQEKVPXWVJK-HZPDHXFCSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](NCCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000423112499 304886797 /nfs/dbraw/zinc/88/67/97/304886797.db2.gz XJXLFBGAIXHKET-OLZOCXBDSA-N 1 3 345.896 1.596 20 0 EDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113428 304886954 /nfs/dbraw/zinc/88/69/54/304886954.db2.gz YWLHLYWJQCYKLM-XQQFMLRXSA-N 1 3 331.507 1.474 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430753560 305064129 /nfs/dbraw/zinc/06/41/29/305064129.db2.gz IYVPLCWDXDKXPT-HNNXBMFYSA-N 1 3 331.460 1.666 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)COC2CNC2)cc1 ZINC000430753560 305064130 /nfs/dbraw/zinc/06/41/30/305064130.db2.gz IYVPLCWDXDKXPT-HNNXBMFYSA-N 1 3 331.460 1.666 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNC[C@H]1CCCO1 ZINC000430773072 305064712 /nfs/dbraw/zinc/06/47/12/305064712.db2.gz PYAUOYFXZVRCFH-BBWFWOEESA-N 1 3 325.497 1.772 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC[NH2+]C1 ZINC000430827935 305065448 /nfs/dbraw/zinc/06/54/48/305065448.db2.gz QCNVQBBFMKGFJM-MJGOQNOKSA-N 1 3 333.476 1.292 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430949203 305070115 /nfs/dbraw/zinc/07/01/15/305070115.db2.gz MYXXAMRLDYOAPD-HZPDHXFCSA-N 1 3 333.476 1.938 20 0 EDADHO COCCN1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431723948 305082133 /nfs/dbraw/zinc/08/21/33/305082133.db2.gz QWWRDVWFBMBQLI-SFHVURJKSA-N 1 3 333.476 1.906 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000433058212 305099409 /nfs/dbraw/zinc/09/94/09/305099409.db2.gz PHQJJTNCGHFJNT-UHFFFAOYSA-N 1 3 339.505 1.758 20 0 EDADHO CN(C)[C@@H](CNC(=O)CCCN1CCC([NH3+])CC1)c1cccs1 ZINC000433121197 305100966 /nfs/dbraw/zinc/10/09/66/305100966.db2.gz QTZDNGQJLZLWPH-HNNXBMFYSA-N 1 3 338.521 1.670 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1 ZINC000438854429 305190158 /nfs/dbraw/zinc/19/01/58/305190158.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C1 ZINC000438854429 305190159 /nfs/dbraw/zinc/19/01/59/305190159.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956980 305214716 /nfs/dbraw/zinc/21/47/16/305214716.db2.gz LQFKCBWVXYHLRN-SJLPKXTDSA-N 1 3 336.524 1.536 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956980 305214717 /nfs/dbraw/zinc/21/47/17/305214717.db2.gz LQFKCBWVXYHLRN-SJLPKXTDSA-N 1 3 336.524 1.536 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000447434546 305280295 /nfs/dbraw/zinc/28/02/95/305280295.db2.gz HLJNFAHSZLHXFR-MSOLQXFVSA-N 1 3 333.476 1.549 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449174361 305308894 /nfs/dbraw/zinc/30/88/94/305308894.db2.gz PEWRAIGSKVPZIV-ZLPCBKJTSA-N 1 3 333.476 1.910 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451721793 305364594 /nfs/dbraw/zinc/36/45/94/305364594.db2.gz ZBROJWCACWPRAF-JFIYKMOQSA-N 1 3 337.508 1.458 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC(NC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414918493 447356551 /nfs/dbraw/zinc/35/65/51/447356551.db2.gz UOYUVXLPJKDYLQ-OAHLLOKOSA-N 1 3 337.489 1.347 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000517223254 305749769 /nfs/dbraw/zinc/74/97/69/305749769.db2.gz UKMAYXSXJFGJNM-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@](C)(O)CC)CC2)CC1 ZINC000553158185 306183055 /nfs/dbraw/zinc/18/30/55/306183055.db2.gz OPGVCRCKFPJEOI-GOSISDBHSA-N 1 3 325.497 1.460 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000556990226 306222622 /nfs/dbraw/zinc/22/26/22/306222622.db2.gz LJCKHQXIXSYJPQ-QGZVFWFLSA-N 1 3 331.464 1.654 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204740 306226344 /nfs/dbraw/zinc/22/63/44/306226344.db2.gz HMRFRNSKNMXNRE-HKUYNNGSSA-N 1 3 346.475 1.329 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CCC[N@H+]1Cc1ccccc1 ZINC000557204740 306226345 /nfs/dbraw/zinc/22/63/45/306226345.db2.gz HMRFRNSKNMXNRE-HKUYNNGSSA-N 1 3 346.475 1.329 20 0 EDADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000419731759 447379787 /nfs/dbraw/zinc/37/97/87/447379787.db2.gz RKSXKTHNXUTNOI-HNNXBMFYSA-N 1 3 346.475 1.054 20 0 EDADHO C[NH+](C)C/C=C\C(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000493836749 447407017 /nfs/dbraw/zinc/40/70/17/447407017.db2.gz NFPZIVBSEZBFDY-QKIRZYONSA-N 1 3 345.491 1.829 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@H](CN)C2CCCC2)CCCCC1 ZINC000419808999 447426702 /nfs/dbraw/zinc/42/67/02/447426702.db2.gz HABHTYKPSGZJLD-OAHLLOKOSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000494452086 447437870 /nfs/dbraw/zinc/43/78/70/447437870.db2.gz JEESPYXIVXOHHG-HUUCEWRRSA-N 1 3 341.496 1.678 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000103212303 441177686 /nfs/dbraw/zinc/17/76/86/441177686.db2.gz YZIVRDSZFJXKSF-UHFFFAOYSA-N 1 3 343.475 1.367 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073074749 441290814 /nfs/dbraw/zinc/29/08/14/441290814.db2.gz XSQRDXJZKTZKBB-KRWDZBQOSA-N 1 3 342.487 1.552 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000073074749 441290818 /nfs/dbraw/zinc/29/08/18/441290818.db2.gz XSQRDXJZKTZKBB-KRWDZBQOSA-N 1 3 342.487 1.552 20 0 EDADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)C[NH+]1CCCC1 ZINC000136517036 441702327 /nfs/dbraw/zinc/70/23/27/441702327.db2.gz CJVWBDBGWOJTTO-HNNXBMFYSA-N 1 3 334.464 1.484 20 0 EDADHO CSCC[C@H](N)C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000158191588 441702977 /nfs/dbraw/zinc/70/29/77/441702977.db2.gz YGXHGYZWXQXFKH-AWEZNQCLSA-N 1 3 325.482 1.388 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158697534 441756628 /nfs/dbraw/zinc/75/66/28/441756628.db2.gz WAHGIVUQDLZMRN-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NCC2(O)CCN(C)CC2)CC1 ZINC000077804203 441863103 /nfs/dbraw/zinc/86/31/03/441863103.db2.gz MHTPNOXTDQWWKW-UHFFFAOYSA-N 1 3 326.485 1.007 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)n1 ZINC000174149213 441893472 /nfs/dbraw/zinc/89/34/72/441893472.db2.gz YPRWJXCFMONFSX-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)n1 ZINC000174149213 441893479 /nfs/dbraw/zinc/89/34/79/441893479.db2.gz YPRWJXCFMONFSX-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000174823208 441973442 /nfs/dbraw/zinc/97/34/42/441973442.db2.gz ZDAIJXQGIFAKRY-KRWDZBQOSA-N 1 3 340.512 1.518 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174840489 441974917 /nfs/dbraw/zinc/97/49/17/441974917.db2.gz BCFBVPRGXQDMMW-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000174840489 441974922 /nfs/dbraw/zinc/97/49/22/441974922.db2.gz BCFBVPRGXQDMMW-IAGOWNOFSA-N 1 3 339.528 1.044 20 0 EDADHO Cc1csc(=O)n1CCN1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000125219661 441999413 /nfs/dbraw/zinc/99/94/13/441999413.db2.gz NIJUFLBUBGSXJX-MRXNPFEDSA-N 1 3 338.521 1.320 20 0 EDADHO Cc1csc(=O)n1CCN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000125219661 441999416 /nfs/dbraw/zinc/99/94/16/441999416.db2.gz NIJUFLBUBGSXJX-MRXNPFEDSA-N 1 3 338.521 1.320 20 0 EDADHO Cc1csc(=O)n1CC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000125219661 441999422 /nfs/dbraw/zinc/99/94/22/441999422.db2.gz NIJUFLBUBGSXJX-MRXNPFEDSA-N 1 3 338.521 1.320 20 0 EDADHO Cc1csc(=O)n1CC[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000125219661 441999429 /nfs/dbraw/zinc/99/94/29/441999429.db2.gz NIJUFLBUBGSXJX-MRXNPFEDSA-N 1 3 338.521 1.320 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N(C)C ZINC000151247701 442031740 /nfs/dbraw/zinc/03/17/40/442031740.db2.gz QGQSYUQUEIVMRZ-QGZVFWFLSA-N 1 3 325.497 1.676 20 0 EDADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000175772050 442119362 /nfs/dbraw/zinc/11/93/62/442119362.db2.gz PLZXNQPWNIBUSL-KRWDZBQOSA-N 1 3 341.544 1.099 20 0 EDADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159729 442184734 /nfs/dbraw/zinc/18/47/34/442184734.db2.gz IBHHMRJLLXQRQL-LSDHHAIUSA-N 1 3 339.505 1.929 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000126940213 442156344 /nfs/dbraw/zinc/15/63/44/442156344.db2.gz WSQPHEYOGVQWAB-IEBWSBKVSA-N 1 3 348.491 1.263 20 0 EDADHO CN(CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1)Cc1ccccc1 ZINC000167701095 442222474 /nfs/dbraw/zinc/22/24/74/442222474.db2.gz ROEWVEIXJAXTKX-UHFFFAOYSA-N 1 3 332.492 1.248 20 0 EDADHO COCc1csc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000132541697 442396161 /nfs/dbraw/zinc/39/61/61/442396161.db2.gz SSZDHPKAAAYGFT-UHFFFAOYSA-N 1 3 329.470 1.247 20 0 EDADHO CSCC[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000157922979 442628442 /nfs/dbraw/zinc/62/84/42/442628442.db2.gz ZAETUIPBPYEYFO-BBRMVZONSA-N 1 3 336.505 1.804 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000157993764 442635022 /nfs/dbraw/zinc/63/50/22/442635022.db2.gz INVNAFAVHMYBKX-SJLPKXTDSA-N 1 3 330.476 1.442 20 0 EDADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840017 442694305 /nfs/dbraw/zinc/69/43/05/442694305.db2.gz ZTGATISOFODOEE-RHSMWYFYSA-N 1 3 343.537 1.511 20 0 EDADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840017 442694310 /nfs/dbraw/zinc/69/43/10/442694310.db2.gz ZTGATISOFODOEE-RHSMWYFYSA-N 1 3 343.537 1.511 20 0 EDADHO CS(=O)(=O)N1CC(C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000187836568 442694540 /nfs/dbraw/zinc/69/45/40/442694540.db2.gz CDEHCBXKISBQBI-UHFFFAOYSA-N 1 3 329.510 1.265 20 0 EDADHO CS(=O)(=O)N1CC(CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000187836568 442694543 /nfs/dbraw/zinc/69/45/43/442694543.db2.gz CDEHCBXKISBQBI-UHFFFAOYSA-N 1 3 329.510 1.265 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056426 442706021 /nfs/dbraw/zinc/70/60/21/442706021.db2.gz SXZBAXGVBKPRGB-LPHOPBHVSA-N 1 3 333.476 1.897 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(CC)CCO)C1 ZINC000187267983 442665972 /nfs/dbraw/zinc/66/59/72/442665972.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 1 3 342.528 1.500 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(CC)CCO)C1 ZINC000187267983 442665975 /nfs/dbraw/zinc/66/59/75/442665975.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 1 3 342.528 1.500 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)[C@H](C)C1 ZINC000180904612 442668396 /nfs/dbraw/zinc/66/83/96/442668396.db2.gz GOBVOELIUJUYPK-BRWVUGGUSA-N 1 3 325.497 1.722 20 0 EDADHO C[NH2+]CC(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000193134986 442716588 /nfs/dbraw/zinc/71/65/88/442716588.db2.gz ZODFNLLZFSIEAA-MRXNPFEDSA-N 1 3 327.432 1.796 20 0 EDADHO CN(C)CCN1CCC(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182834714 442833344 /nfs/dbraw/zinc/83/33/44/442833344.db2.gz OWFWKDBDLGFQEE-IRXDYDNUSA-N 1 3 345.553 1.205 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[N@@H+]1Cc1ccccc1 ZINC000188783111 442812067 /nfs/dbraw/zinc/81/20/67/442812067.db2.gz HATYWSPOCDPSQT-HIFRSBDPSA-N 1 3 339.443 1.448 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2CNCC3)C[N@H+]1Cc1ccccc1 ZINC000188783111 442812071 /nfs/dbraw/zinc/81/20/71/442812071.db2.gz HATYWSPOCDPSQT-HIFRSBDPSA-N 1 3 339.443 1.448 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000265535991 442814276 /nfs/dbraw/zinc/81/42/76/442814276.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 1 3 346.475 1.281 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000265535991 442814277 /nfs/dbraw/zinc/81/42/77/442814277.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 1 3 346.475 1.281 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265682994 442878068 /nfs/dbraw/zinc/87/80/68/442878068.db2.gz CDXPWWYUJSLDPJ-DLBZAZTESA-N 1 3 334.464 1.309 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000184945741 443104393 /nfs/dbraw/zinc/10/43/93/443104393.db2.gz SWGLXFDTPKFPSD-SFHVURJKSA-N 1 3 332.492 1.432 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)CC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000237500693 443174525 /nfs/dbraw/zinc/17/45/25/443174525.db2.gz NAHYKYAIVHIZCB-HUUCEWRRSA-N 1 3 325.497 1.852 20 0 EDADHO C[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269207129 443233232 /nfs/dbraw/zinc/23/32/32/443233232.db2.gz ODZNSAFNFUKVLM-MSOLQXFVSA-N 1 3 344.503 1.703 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401978920 319138472 /nfs/dbraw/zinc/13/84/72/319138472.db2.gz YXPJRGQBFRECRG-QGZVFWFLSA-N 1 3 347.459 1.444 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CNCCO1 ZINC000269263071 443256679 /nfs/dbraw/zinc/25/66/79/443256679.db2.gz NYYKHCVDDFIXNE-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CNCCO1 ZINC000269263071 443256687 /nfs/dbraw/zinc/25/66/87/443256687.db2.gz NYYKHCVDDFIXNE-OALUTQOASA-N 1 3 345.487 1.736 20 0 EDADHO CN1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205281 319319347 /nfs/dbraw/zinc/31/93/47/319319347.db2.gz XHUUVUVALCAXAO-FGTMMUONSA-N 1 3 349.519 1.330 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)CCCC1 ZINC000414658588 319337454 /nfs/dbraw/zinc/33/74/54/319337454.db2.gz LFYYPDHJGHSNJT-UHFFFAOYSA-N 1 3 330.432 1.219 20 0 EDADHO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)[NH+](C)C ZINC000414675667 319340151 /nfs/dbraw/zinc/34/01/51/319340151.db2.gz GKJDPCSMGIECNE-INIZCTEOSA-N 1 3 332.448 1.321 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000415197519 319349770 /nfs/dbraw/zinc/34/97/70/319349770.db2.gz VLDXCGOYLKLMHJ-INIZCTEOSA-N 1 3 346.475 1.581 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1CN(C)C ZINC000415687027 319363794 /nfs/dbraw/zinc/36/37/94/319363794.db2.gz IKMRFZDQKVCGRR-GOSISDBHSA-N 1 3 332.448 1.192 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccccc2OCCN(C)C)C[C@@H]1C[NH3+] ZINC000417369398 319495167 /nfs/dbraw/zinc/49/51/67/319495167.db2.gz SBXNBBPXULCKLA-RDJZCZTQSA-N 1 3 348.491 1.753 20 0 EDADHO C[C@H](C[NH3+])NC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418509069 319503006 /nfs/dbraw/zinc/50/30/06/319503006.db2.gz AWUYUAYHAYETSC-ILXRZTDVSA-N 1 3 326.485 1.255 20 0 EDADHO CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272509931 443345194 /nfs/dbraw/zinc/34/51/94/443345194.db2.gz OSIUIIOPBPVHIA-DOTOQJQBSA-N 1 3 339.505 1.426 20 0 EDADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278710414 443409292 /nfs/dbraw/zinc/40/92/92/443409292.db2.gz LPACOBVDSAVZJJ-KSZLIROESA-N 1 3 345.487 1.881 20 0 EDADHO CCC[C@@H]([NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000272276981 443577810 /nfs/dbraw/zinc/57/78/10/443577810.db2.gz AZQOKYTXQKHTMO-QGZVFWFLSA-N 1 3 337.439 1.913 20 0 EDADHO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000273997053 443590446 /nfs/dbraw/zinc/59/04/46/443590446.db2.gz KFQPQKYHOURSIK-IKGGRYGDSA-N 1 3 347.503 1.762 20 0 EDADHO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000427275951 319894952 /nfs/dbraw/zinc/89/49/52/319894952.db2.gz RDHWLRFOEKCZTE-KRWDZBQOSA-N 1 3 331.460 1.259 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000265369763 443618982 /nfs/dbraw/zinc/61/89/82/443618982.db2.gz HPGUVDFJPWUTLZ-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000265369763 443618984 /nfs/dbraw/zinc/61/89/84/443618984.db2.gz HPGUVDFJPWUTLZ-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO COC(=O)C[C@H]1CCCN1C[C@H](C)C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000441135943 320090456 /nfs/dbraw/zinc/09/04/56/320090456.db2.gz AZLFKTUZSSMTER-MUJYYYPQSA-N 1 3 340.464 1.678 20 0 EDADHO COC(=O)C[C@H]1CCCN1C[C@H](C)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000441135943 320090459 /nfs/dbraw/zinc/09/04/59/320090459.db2.gz AZLFKTUZSSMTER-MUJYYYPQSA-N 1 3 340.464 1.678 20 0 EDADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](C)CN1CCC[C@H]1CC(=O)OC ZINC000441135943 320090462 /nfs/dbraw/zinc/09/04/62/320090462.db2.gz AZLFKTUZSSMTER-MUJYYYPQSA-N 1 3 340.464 1.678 20 0 EDADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](C)CN1CCC[C@H]1CC(=O)OC ZINC000441135943 320090464 /nfs/dbraw/zinc/09/04/64/320090464.db2.gz AZLFKTUZSSMTER-MUJYYYPQSA-N 1 3 340.464 1.678 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H]1CCCN1CCCO)[NH+]1CCCCC1 ZINC000457471035 320327157 /nfs/dbraw/zinc/32/71/57/320327157.db2.gz WBZUKWFCOPHUGY-INIZCTEOSA-N 1 3 340.512 1.397 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298568027 443802257 /nfs/dbraw/zinc/80/22/57/443802257.db2.gz WTONDBDJCIAZPS-SFHVURJKSA-N 1 3 345.535 1.914 20 0 EDADHO C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000299170027 443973131 /nfs/dbraw/zinc/97/31/31/443973131.db2.gz WTNCVDASQXNWER-LJQANCHMSA-N 1 3 344.503 1.357 20 0 EDADHO COCCCNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000299386567 444034752 /nfs/dbraw/zinc/03/47/52/444034752.db2.gz RFDXDBYAWAOPOT-YRWFTTLQSA-N 1 3 347.503 1.885 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nccn1-c1ccccc1 ZINC000549224661 320904554 /nfs/dbraw/zinc/90/45/54/320904554.db2.gz IZKHGFCRDAMGGB-UHFFFAOYSA-N 1 3 344.463 1.829 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000285540684 444022533 /nfs/dbraw/zinc/02/25/33/444022533.db2.gz BVMSXQOGFSMESB-JKSUJKDBSA-N 1 3 348.491 1.080 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNC2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986943 321084744 /nfs/dbraw/zinc/08/47/44/321084744.db2.gz DJGXQSQWZPWBHA-UXLLHSPISA-N 1 3 327.513 1.309 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986943 321084745 /nfs/dbraw/zinc/08/47/45/321084745.db2.gz DJGXQSQWZPWBHA-UXLLHSPISA-N 1 3 327.513 1.309 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000563209811 321100453 /nfs/dbraw/zinc/10/04/53/321100453.db2.gz ZNHKASWAZYBADQ-DLBZAZTESA-N 1 3 332.492 1.831 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000565366088 321183867 /nfs/dbraw/zinc/18/38/67/321183867.db2.gz NUNRZDOJGYRIQZ-SFHVURJKSA-N 1 3 332.492 1.930 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057724 321212916 /nfs/dbraw/zinc/21/29/16/321212916.db2.gz MWEBLEFWXUFEQQ-RYQLBKOJSA-N 1 3 348.466 1.912 20 0 EDADHO [NH3+]CC1(O)CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000566207587 321222353 /nfs/dbraw/zinc/22/23/53/321222353.db2.gz AMCIURNMLLOOJJ-UHFFFAOYSA-N 1 3 331.460 1.211 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000567739557 321256747 /nfs/dbraw/zinc/25/67/47/321256747.db2.gz VIFDKTJGBPRIQS-HKUYNNGSSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CN1Cc1ccccc1 ZINC000568231760 321283569 /nfs/dbraw/zinc/28/35/69/321283569.db2.gz JNQOWQKVBCDAQX-ATLSCFEFSA-N 1 3 330.476 1.947 20 0 EDADHO CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CCN1C ZINC000569320841 321323989 /nfs/dbraw/zinc/32/39/89/321323989.db2.gz HDWLBTTYQBFEOT-MRXNPFEDSA-N 1 3 332.448 1.973 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000570663759 321352898 /nfs/dbraw/zinc/35/28/98/321352898.db2.gz XMYFFQDZYAHTPL-OAHLLOKOSA-N 1 3 332.448 1.192 20 0 EDADHO COC[C@]1(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000570942804 321365726 /nfs/dbraw/zinc/36/57/26/321365726.db2.gz HQFCXZWSTCLXST-YFHUEUNASA-N 1 3 338.496 1.127 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000570943356 321366012 /nfs/dbraw/zinc/36/60/12/321366012.db2.gz XJZBIJRUIHEGMG-UHFFFAOYSA-N 1 3 333.480 1.985 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C(=O)OC)co1 ZINC000289373496 444122068 /nfs/dbraw/zinc/12/20/68/444122068.db2.gz BLSRCRWHLWHCNF-INIZCTEOSA-N 1 3 337.464 1.914 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C(=O)OC)co1 ZINC000289373496 444122071 /nfs/dbraw/zinc/12/20/71/444122071.db2.gz BLSRCRWHLWHCNF-INIZCTEOSA-N 1 3 337.464 1.914 20 0 EDADHO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCN(C2CC2)CC1 ZINC000574762066 321499731 /nfs/dbraw/zinc/49/97/31/321499731.db2.gz CDYBVZHXWCUMOW-JQHSSLGASA-N 1 3 333.476 1.277 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(C3CC3)C1)CCC2 ZINC000289562570 444172728 /nfs/dbraw/zinc/17/27/28/444172728.db2.gz CTTRRBBYNZCILB-ACJLOTCBSA-N 1 3 349.500 1.785 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000290218230 444255510 /nfs/dbraw/zinc/25/55/10/444255510.db2.gz STAKVZDVXZWJMU-ZWKOTPCHSA-N 1 3 345.491 1.098 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344959 444236811 /nfs/dbraw/zinc/23/68/11/444236811.db2.gz ZPEOVZQYIPJQMX-SJORKVTESA-N 1 3 339.524 1.658 20 0 EDADHO CCN(C)[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301085 /nfs/dbraw/zinc/30/10/85/444301085.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 1 3 334.508 1.679 20 0 EDADHO CCN(C)[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)c1ccccc1 ZINC000290608843 444301087 /nfs/dbraw/zinc/30/10/87/444301087.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 1 3 334.508 1.679 20 0 EDADHO CCN(C)[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000290608843 444301090 /nfs/dbraw/zinc/30/10/90/444301090.db2.gz KCVDTILQVKVDIX-GOSISDBHSA-N 1 3 334.508 1.679 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNCCC(=O)NC(N)=O)cc2)C1 ZINC000580296641 322032546 /nfs/dbraw/zinc/03/25/46/322032546.db2.gz WGMIQPDNXBBQOK-AWEZNQCLSA-N 1 3 332.448 1.593 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNCCC(=O)NC(N)=O)cc2)C1 ZINC000580296641 322032548 /nfs/dbraw/zinc/03/25/48/322032548.db2.gz WGMIQPDNXBBQOK-AWEZNQCLSA-N 1 3 332.448 1.593 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300421 322032830 /nfs/dbraw/zinc/03/28/30/322032830.db2.gz KTQSHQPDJBIEHW-GUTXKFCHSA-N 1 3 344.450 1.936 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CNCCC1(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000580300421 322032831 /nfs/dbraw/zinc/03/28/31/322032831.db2.gz KTQSHQPDJBIEHW-GUTXKFCHSA-N 1 3 344.450 1.936 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)C1CC1 ZINC000580882252 322106948 /nfs/dbraw/zinc/10/69/48/322106948.db2.gz HBTIDVKJOVYHKF-OAHLLOKOSA-N 1 3 340.537 1.775 20 0 EDADHO CN1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000342162097 444541794 /nfs/dbraw/zinc/54/17/94/444541794.db2.gz MLTDFPHINNCLDW-UHFFFAOYSA-N 1 3 344.503 1.753 20 0 EDADHO C[C@H](CNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N(C)C1CC1 ZINC000333439097 444671083 /nfs/dbraw/zinc/67/10/83/444671083.db2.gz VUHHRMOTYVCNNO-KBRIMQKVSA-N 1 3 338.496 1.397 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000333941984 444724084 /nfs/dbraw/zinc/72/40/84/444724084.db2.gz POWKSLCAGVVKNR-HUUCEWRRSA-N 1 3 340.537 1.727 20 0 EDADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344028016 444737832 /nfs/dbraw/zinc/73/78/32/444737832.db2.gz LPRKJXATLRGDKC-MSOLQXFVSA-N 1 3 340.556 1.981 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000344074626 444767533 /nfs/dbraw/zinc/76/75/33/444767533.db2.gz ZXJJJTZCWJZASP-LJQANCHMSA-N 1 3 344.503 1.899 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000336878484 444824085 /nfs/dbraw/zinc/82/40/85/444824085.db2.gz FQAVWYNPXYKQHH-YYAJDYIMSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000336878484 444824090 /nfs/dbraw/zinc/82/40/90/444824090.db2.gz FQAVWYNPXYKQHH-YYAJDYIMSA-N 1 3 337.508 1.900 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000342755410 444850301 /nfs/dbraw/zinc/85/03/01/444850301.db2.gz QVMCKDPNSXXPJF-CQSZACIVSA-N 1 3 348.447 1.412 20 0 EDADHO CC(C)COC[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338939490 444944920 /nfs/dbraw/zinc/94/49/20/444944920.db2.gz CNUIWWIEOGVOES-SCTDSRPQSA-N 1 3 342.524 1.841 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343042903 445024476 /nfs/dbraw/zinc/02/44/76/445024476.db2.gz ZHBQNNWPHMWNKC-JKSUJKDBSA-N 1 3 348.516 1.391 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343042903 445024480 /nfs/dbraw/zinc/02/44/80/445024480.db2.gz ZHBQNNWPHMWNKC-JKSUJKDBSA-N 1 3 348.516 1.391 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093853 /nfs/dbraw/zinc/09/38/53/445093853.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093859 /nfs/dbraw/zinc/09/38/59/445093859.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO CCc1nocc1CNCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000339218406 445095523 /nfs/dbraw/zinc/09/55/23/445095523.db2.gz QWWXSRDHVGKLMP-UHFFFAOYSA-N 1 3 329.448 1.934 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343251232 445161638 /nfs/dbraw/zinc/16/16/38/445161638.db2.gz MDHCTNAXKAOSIL-GUDVDZBRSA-N 1 3 338.540 1.151 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C1 ZINC000347563790 445242406 /nfs/dbraw/zinc/24/24/06/445242406.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 1 3 340.512 1.325 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C1 ZINC000347563790 445242408 /nfs/dbraw/zinc/24/24/08/445242408.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 1 3 340.512 1.325 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000351628325 445247592 /nfs/dbraw/zinc/24/75/92/445247592.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 1 3 332.492 1.461 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)C1CC1 ZINC000351628325 445247594 /nfs/dbraw/zinc/24/75/94/445247594.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 1 3 332.492 1.461 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859146 445345389 /nfs/dbraw/zinc/34/53/89/445345389.db2.gz FQABABYACXFNJJ-CVEARBPZSA-N 1 3 348.466 1.534 20 0 EDADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406328 /nfs/dbraw/zinc/40/63/28/445406328.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406331 /nfs/dbraw/zinc/40/63/31/445406331.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CC[C@@H](C(=O)N(C)C1CCN(CCn2cccn2)CC1)[NH+](CC)CC ZINC000359799205 445434043 /nfs/dbraw/zinc/43/40/43/445434043.db2.gz PZCKOPNNONZGFJ-SFHVURJKSA-N 1 3 349.523 1.926 20 0 EDADHO CCC[C@H](C(=O)NC[C@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704499 445509505 /nfs/dbraw/zinc/50/95/05/445509505.db2.gz JPPIPASNCIDROF-DJIMGWMZSA-N 1 3 335.496 1.650 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357254684 445509912 /nfs/dbraw/zinc/50/99/12/445509912.db2.gz YTXPMROMBBIRDK-LMMKCTJWSA-N 1 3 336.524 1.156 20 0 EDADHO C[C@@H](C(=O)NCc1ccc(OCCN2CCCC2)cc1)C1C[NH2+]C1 ZINC000357258576 445511698 /nfs/dbraw/zinc/51/16/98/445511698.db2.gz QUIFVSMDXYFCFG-OAHLLOKOSA-N 1 3 331.460 1.633 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000352208400 445514193 /nfs/dbraw/zinc/51/41/93/445514193.db2.gz NGOHWHSKOCREEV-HZPDHXFCSA-N 1 3 326.485 1.080 20 0 EDADHO COC[C@]1(CNC(=O)c2ccccc2OCCN(C)C)CCC[NH2+]1 ZINC000357294656 445531625 /nfs/dbraw/zinc/53/16/25/445531625.db2.gz VTXBUCZNDBQMFR-GOSISDBHSA-N 1 3 335.448 1.125 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000352112373 445501080 /nfs/dbraw/zinc/50/10/80/445501080.db2.gz SOIJKKJRQCIBRU-IBGZPJMESA-N 1 3 347.459 1.927 20 0 EDADHO CN(C)Cc1cnc(CN(C)CCC[NH+]2CCN(C)CC2)s1 ZINC000349332962 445565791 /nfs/dbraw/zinc/56/57/91/445565791.db2.gz PMUDXMLPSJKKEH-UHFFFAOYSA-N 1 3 325.526 1.274 20 0 EDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000353475480 445619027 /nfs/dbraw/zinc/61/90/27/445619027.db2.gz XRIGXMAMFAOMEQ-ZWKOTPCHSA-N 1 3 331.460 1.970 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363053088 445661837 /nfs/dbraw/zinc/66/18/37/445661837.db2.gz CXDUTXXFWKLQRO-LSDHHAIUSA-N 1 3 329.510 1.041 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363091341 445673480 /nfs/dbraw/zinc/67/34/80/445673480.db2.gz CARUGISSQPQOSZ-JKSUJKDBSA-N 1 3 347.459 1.220 20 0 EDADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)OC ZINC000360594126 445716136 /nfs/dbraw/zinc/71/61/36/445716136.db2.gz CGQODLZVKCZSNB-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@H](CNC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)OC ZINC000360594126 445716138 /nfs/dbraw/zinc/71/61/38/445716138.db2.gz CGQODLZVKCZSNB-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353588913 445668852 /nfs/dbraw/zinc/66/88/52/445668852.db2.gz OEPWJOMGRIRACT-KURKYZTESA-N 1 3 345.487 1.816 20 0 EDADHO C[C@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000358722429 445742139 /nfs/dbraw/zinc/74/21/39/445742139.db2.gz ODLUVBQVMGVOJD-VQIMIIECSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@H](CCNC(=O)NC[C@]1(O)CCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000358722429 445742141 /nfs/dbraw/zinc/74/21/41/445742141.db2.gz ODLUVBQVMGVOJD-VQIMIIECSA-N 1 3 348.491 1.263 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CN1CCC(C[NH+](C)C)CC1 ZINC000350146893 445779476 /nfs/dbraw/zinc/77/94/76/445779476.db2.gz NNVAMSODSGTDNU-UHFFFAOYSA-N 1 3 335.496 1.339 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000365994842 445950762 /nfs/dbraw/zinc/95/07/62/445950762.db2.gz FRKSPTDHUPOPFU-YJBOKZPZSA-N 1 3 342.503 1.341 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000365994842 445950766 /nfs/dbraw/zinc/95/07/66/445950766.db2.gz FRKSPTDHUPOPFU-YJBOKZPZSA-N 1 3 342.503 1.341 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000365994842 445950768 /nfs/dbraw/zinc/95/07/68/445950768.db2.gz FRKSPTDHUPOPFU-YJBOKZPZSA-N 1 3 342.503 1.341 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000583370766 326058982 /nfs/dbraw/zinc/05/89/82/326058982.db2.gz OHFOEFVDMRLRJI-WMZOPIPTSA-N 1 3 346.475 1.883 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000584100674 326198791 /nfs/dbraw/zinc/19/87/91/326198791.db2.gz IZYREXUTUFXLSL-CABCVRRESA-N 1 3 332.448 1.700 20 0 EDADHO CN1CCCC[C@H]1CC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063313 /nfs/dbraw/zinc/06/33/13/446063313.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 1 3 345.491 1.567 20 0 EDADHO CN1CCCC[C@H]1CC[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063319 /nfs/dbraw/zinc/06/33/19/446063319.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 1 3 345.491 1.567 20 0 EDADHO CC1(C)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000584154039 326208665 /nfs/dbraw/zinc/20/86/65/326208665.db2.gz APMOLAJAICEMAB-JQHSSLGASA-N 1 3 335.492 1.523 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)[C@H](C)C1 ZINC000361924447 446074932 /nfs/dbraw/zinc/07/49/32/446074932.db2.gz NIXKNYYBMLPYIQ-ZBFHGGJFSA-N 1 3 334.464 1.407 20 0 EDADHO C[C@H]([NH2+]CCNc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000361980567 446124817 /nfs/dbraw/zinc/12/48/17/446124817.db2.gz LCDUQPBYQNKMMG-HNNXBMFYSA-N 1 3 329.448 2.180 20 0 EDADHO CCN1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359371387 446179628 /nfs/dbraw/zinc/17/96/28/446179628.db2.gz CRJROYAZWUJBKG-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(F)CCNC3)nc2)CC1 ZINC000366324669 446150919 /nfs/dbraw/zinc/15/09/19/446150919.db2.gz OBLYZYSRCVZSJJ-KRWDZBQOSA-N 1 3 335.427 1.252 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000370297760 446219835 /nfs/dbraw/zinc/21/98/35/446219835.db2.gz HDCAUGGPADITCC-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000370297760 446219840 /nfs/dbraw/zinc/21/98/40/446219840.db2.gz HDCAUGGPADITCC-IRXDYDNUSA-N 1 3 338.496 1.101 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000366479261 446231108 /nfs/dbraw/zinc/23/11/08/446231108.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCN1C1CCOCC1 ZINC000366479261 446231110 /nfs/dbraw/zinc/23/11/10/446231110.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 1 3 335.492 1.763 20 0 EDADHO CC[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC[NH2+]C1 ZINC000362157691 446241260 /nfs/dbraw/zinc/24/12/60/446241260.db2.gz VSGXOMLSERKCGO-HXUWFJFHSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C)CN1 ZINC000417503083 446356516 /nfs/dbraw/zinc/35/65/16/446356516.db2.gz LLWXBEZEMLUKCR-AOIWGVFYSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)CN1 ZINC000417503083 446356520 /nfs/dbraw/zinc/35/65/20/446356520.db2.gz LLWXBEZEMLUKCR-AOIWGVFYSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417930580 446389411 /nfs/dbraw/zinc/38/94/11/446389411.db2.gz KBAPKIYULVBROQ-CQSZACIVSA-N 1 3 331.464 1.788 20 0 EDADHO CN1CC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417948137 446396178 /nfs/dbraw/zinc/39/61/78/446396178.db2.gz SRRIWMBTJHJPJU-SCTDSRPQSA-N 1 3 328.460 1.827 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418002921 446412536 /nfs/dbraw/zinc/41/25/36/446412536.db2.gz XUYRZMZNXOJGCI-GOSISDBHSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000418012436 446415283 /nfs/dbraw/zinc/41/52/83/446415283.db2.gz LXTLCYQYBDOOGD-ATLSCFEFSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418017422 446416546 /nfs/dbraw/zinc/41/65/46/446416546.db2.gz SOVIOHZCGOPJGT-OWYHZJEWSA-N 1 3 342.487 1.758 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420314980 446480775 /nfs/dbraw/zinc/48/07/75/446480775.db2.gz RHYKFHPTDKXWSD-GOEBONIOSA-N 1 3 347.459 1.539 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000420312035 446476270 /nfs/dbraw/zinc/47/62/70/446476270.db2.gz HPYZLNNLXJJAMV-AEFFLSMTSA-N 1 3 347.503 1.923 20 0 EDADHO COc1ccc(OC)c(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420314101 446478157 /nfs/dbraw/zinc/47/81/57/446478157.db2.gz YSQAZGHIJKKCBK-MRXNPFEDSA-N 1 3 333.476 1.821 20 0 EDADHO C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)[C@H](c1ccccc1)N(C)C ZINC000418189389 446453507 /nfs/dbraw/zinc/45/35/07/446453507.db2.gz VKZWMQGXQPSGGC-USXIJHARSA-N 1 3 334.464 1.437 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000420317398 446483748 /nfs/dbraw/zinc/48/37/48/446483748.db2.gz MXVYBNFOWLMFKV-WDYCEAGBSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000420317398 446483752 /nfs/dbraw/zinc/48/37/52/446483752.db2.gz MXVYBNFOWLMFKV-WDYCEAGBSA-N 1 3 333.476 1.390 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1 ZINC000420317398 446483755 /nfs/dbraw/zinc/48/37/55/446483755.db2.gz MXVYBNFOWLMFKV-WDYCEAGBSA-N 1 3 333.476 1.390 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418308475 446494142 /nfs/dbraw/zinc/49/41/42/446494142.db2.gz BSVJNLYFAXHOEG-UHFFFAOYSA-N 1 3 339.528 1.363 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327745 446494688 /nfs/dbraw/zinc/49/46/88/446494688.db2.gz YZJDPSKVWFCWON-SJORKVTESA-N 1 3 336.524 1.441 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327932 446495329 /nfs/dbraw/zinc/49/53/29/446495329.db2.gz LTLMCKQLAHTFHD-JKSUJKDBSA-N 1 3 349.450 1.642 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344198 446517266 /nfs/dbraw/zinc/51/72/66/446517266.db2.gz SRVCJCJHUPTGJF-CAOSSQGBSA-N 1 3 336.480 1.322 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000420354704 446533137 /nfs/dbraw/zinc/53/31/37/446533137.db2.gz BIHRFRBFTKDLDA-IIHSZXCVSA-N 1 3 332.492 1.382 20 0 EDADHO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC[C@H]1CCC[NH2+]C1 ZINC000420367317 446546543 /nfs/dbraw/zinc/54/65/43/446546543.db2.gz VJQGTUUBAXZIKB-UONOGXRCSA-N 1 3 325.478 1.717 20 0 EDADHO CCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420369736 446547927 /nfs/dbraw/zinc/54/79/27/446547927.db2.gz CAAIXKWUWSHSKF-INIZCTEOSA-N 1 3 345.447 1.851 20 0 EDADHO CCOc1ccc(OCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000420369736 446547930 /nfs/dbraw/zinc/54/79/30/446547930.db2.gz CAAIXKWUWSHSKF-INIZCTEOSA-N 1 3 345.447 1.851 20 0 EDADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420373202 446550721 /nfs/dbraw/zinc/55/07/21/446550721.db2.gz QWZDZQVQRIAEDK-IOASZLSFSA-N 1 3 326.462 1.445 20 0 EDADHO COC1([C@H](C)NCc2ccncc2OCC[NH+](C)C)CCOCC1 ZINC000453231961 446551527 /nfs/dbraw/zinc/55/15/27/446551527.db2.gz QSPRTPPVWPAVTM-HNNXBMFYSA-N 1 3 337.464 1.696 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000418610931 446614207 /nfs/dbraw/zinc/61/42/07/446614207.db2.gz ARECDHFOENZJJN-OAHLLOKOSA-N 1 3 333.480 1.937 20 0 EDADHO CCN1CCC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579482 446614869 /nfs/dbraw/zinc/61/48/69/446614869.db2.gz UTIBWWPJNHVDSL-HZPDHXFCSA-N 1 3 325.522 1.804 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621875 446618546 /nfs/dbraw/zinc/61/85/46/446618546.db2.gz UJXYJXBEVXZJNI-OAGGEKHMSA-N 1 3 340.512 1.515 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000418520862 446578199 /nfs/dbraw/zinc/57/81/99/446578199.db2.gz HYYVECXLCLNHFY-GUDVDZBRSA-N 1 3 342.487 1.759 20 0 EDADHO CCN(CC)CCN(CCOC)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367920943 446608388 /nfs/dbraw/zinc/60/83/88/446608388.db2.gz MKUPHLYGTYXVAD-QZTJIDSGSA-N 1 3 326.529 1.750 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000418665035 446639966 /nfs/dbraw/zinc/63/99/66/446639966.db2.gz DLMTYTDSLXTMHP-ZWKOTPCHSA-N 1 3 348.491 1.613 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccccc1 ZINC000375225431 446654130 /nfs/dbraw/zinc/65/41/30/446654130.db2.gz CQUXEHNTXTXSTE-MSOLQXFVSA-N 1 3 328.460 1.921 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418757600 446677520 /nfs/dbraw/zinc/67/75/20/446677520.db2.gz HRAICSZNQTYCAO-SFHVURJKSA-N 1 3 347.507 1.183 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418746224 446666373 /nfs/dbraw/zinc/66/63/73/446666373.db2.gz HTDSONJPRBISQA-INIZCTEOSA-N 1 3 333.480 1.687 20 0 EDADHO [NH3+]C1(CNC(=O)NCCNc2ccncc2)C2CC3CC(C2)CC1C3 ZINC000418758777 446677628 /nfs/dbraw/zinc/67/76/28/446677628.db2.gz FVGCMSLGAWLTRR-UHFFFAOYSA-N 1 3 343.475 1.368 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632673 446623688 /nfs/dbraw/zinc/62/36/88/446623688.db2.gz WCWJKDKHXYFERJ-NVXWUHKLSA-N 1 3 333.480 1.685 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000418647511 446631599 /nfs/dbraw/zinc/63/15/99/446631599.db2.gz GRCHFWWFZGVEMF-SJLPKXTDSA-N 1 3 348.491 1.395 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000368089551 446633454 /nfs/dbraw/zinc/63/34/54/446633454.db2.gz IMMREYHYLMPYBV-UHFFFAOYSA-N 1 3 337.464 1.006 20 0 EDADHO C[C@@]1(CNC(=O)C(=O)NCCCC[NH3+])CCCN1Cc1ccccc1 ZINC000418810975 446715992 /nfs/dbraw/zinc/71/59/92/446715992.db2.gz HQMZEDMOCFYVDX-IBGZPJMESA-N 1 3 346.475 1.012 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CC(C)(F)C3)CC2)CC1 ZINC000454444918 446876988 /nfs/dbraw/zinc/87/69/88/446876988.db2.gz DDQXHIKUIUTZGC-UHFFFAOYSA-N 1 3 326.460 1.735 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(CF)CC3)CC2)CC1 ZINC000454463735 446881601 /nfs/dbraw/zinc/88/16/01/446881601.db2.gz UYILBTASGNYGDN-UHFFFAOYSA-N 1 3 340.487 1.936 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412188274 446890178 /nfs/dbraw/zinc/89/01/78/446890178.db2.gz VWXIXFKBIAEELD-KBRIMQKVSA-N 1 3 337.533 1.803 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419149635 446965063 /nfs/dbraw/zinc/96/50/63/446965063.db2.gz FMPBOPVWGRFYMA-HOTGVXAUSA-N 1 3 340.512 1.247 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000368617365 446983934 /nfs/dbraw/zinc/98/39/34/446983934.db2.gz GSKAYBMGAZDCSJ-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](CCO)CC1)c1ccccc1 ZINC000421019709 446989673 /nfs/dbraw/zinc/98/96/73/446989673.db2.gz QDRBLHXPFBDJJM-MJGOQNOKSA-N 1 3 347.503 1.890 20 0 EDADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nnc1C ZINC000444857198 447142551 /nfs/dbraw/zinc/14/25/51/447142551.db2.gz JBZTYEXPAKSRTN-UHFFFAOYSA-N 1 3 346.479 1.774 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419483018 447214220 /nfs/dbraw/zinc/21/42/20/447214220.db2.gz RCFHJIPXLGWKSY-HOTGVXAUSA-N 1 3 340.512 1.104 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000419483018 447214226 /nfs/dbraw/zinc/21/42/26/447214226.db2.gz RCFHJIPXLGWKSY-HOTGVXAUSA-N 1 3 340.512 1.104 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046243 447284226 /nfs/dbraw/zinc/28/42/26/447284226.db2.gz FDKKZRIRRFMRQN-BRWVUGGUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H](CC(=O)N(C)C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414294420 447287861 /nfs/dbraw/zinc/28/78/61/447287861.db2.gz CEZMPUPYXOZDPM-MRXNPFEDSA-N 1 3 333.476 1.470 20 0 EDADHO C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN)c1)C1CC1 ZINC000415469833 447460496 /nfs/dbraw/zinc/46/04/96/447460496.db2.gz MXZPOUCXJUNLOD-KRWDZBQOSA-N 1 3 344.459 1.212 20 0 EDADHO C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN)c1)C1CC1 ZINC000415469833 447460503 /nfs/dbraw/zinc/46/05/03/447460503.db2.gz MXZPOUCXJUNLOD-KRWDZBQOSA-N 1 3 344.459 1.212 20 0 EDADHO COCCN(C)C[C@@H](O)C[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388919360 447481749 /nfs/dbraw/zinc/48/17/49/447481749.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 1 3 349.519 1.522 20 0 EDADHO COCCN(C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388919360 447481753 /nfs/dbraw/zinc/48/17/53/447481753.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 1 3 349.519 1.522 20 0 EDADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390879766 447505113 /nfs/dbraw/zinc/50/51/13/447505113.db2.gz USYMPXNGLKOTCK-RYQLBKOJSA-N 1 3 333.476 1.767 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390913419 447505861 /nfs/dbraw/zinc/50/58/61/447505861.db2.gz ZUYQACTZUYTZIM-NEWSRXKRSA-N 1 3 345.487 1.782 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926558 447506662 /nfs/dbraw/zinc/50/66/62/447506662.db2.gz JFDUJBRBEZBSLR-GOSISDBHSA-N 1 3 331.460 1.393 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390925374 447506884 /nfs/dbraw/zinc/50/68/84/447506884.db2.gz JEFWZXWZEGGOSZ-QRVBRYPASA-N 1 3 345.487 1.911 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCCN2CCO)cc1 ZINC000457529212 447588198 /nfs/dbraw/zinc/58/81/98/447588198.db2.gz MDZOIYSGNAZVBA-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427148627 447552683 /nfs/dbraw/zinc/55/26/83/447552683.db2.gz YPBQBGZMNIZZLR-KURKYZTESA-N 1 3 337.508 1.963 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459264393 447625527 /nfs/dbraw/zinc/62/55/27/447625527.db2.gz MYQUDWRUIOQKLP-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459264393 447625532 /nfs/dbraw/zinc/62/55/32/447625532.db2.gz MYQUDWRUIOQKLP-IRXDYDNUSA-N 1 3 340.512 1.471 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccc(C(=O)NC)c2)CC[NH2+]CC1 ZINC000422702317 447720251 /nfs/dbraw/zinc/72/02/51/447720251.db2.gz KJYYZMFMHOSPMG-AWEZNQCLSA-N 1 3 347.459 1.457 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000429138195 447729835 /nfs/dbraw/zinc/72/98/35/447729835.db2.gz DXLDCZVOGABIJO-QAPCUYQASA-N 1 3 330.476 1.638 20 0 EDADHO CC(C)CN1CCO[C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744173 /nfs/dbraw/zinc/74/41/73/447744173.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 1 3 325.497 1.090 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803010 447754639 /nfs/dbraw/zinc/75/46/39/447754639.db2.gz CGBRVQLLDNBPIG-LPHOPBHVSA-N 1 3 334.483 1.925 20 0 EDADHO C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000422847495 447768841 /nfs/dbraw/zinc/76/88/41/447768841.db2.gz RKYAXDFFBHDLDL-HKUYNNGSSA-N 1 3 344.503 1.846 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422917226 447772290 /nfs/dbraw/zinc/77/22/90/447772290.db2.gz FQISWUFAHZSPOV-HIFRSBDPSA-N 1 3 325.840 1.789 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422925193 447773832 /nfs/dbraw/zinc/77/38/32/447773832.db2.gz AQBKGXQVGVDEPI-NVXWUHKLSA-N 1 3 337.489 1.688 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H](CO)c1cccc(Br)c1 ZINC000422986555 447788275 /nfs/dbraw/zinc/78/82/75/447788275.db2.gz CSLLYQOXGLPJQH-KBPBESRZSA-N 1 3 331.254 1.826 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423085147 447802682 /nfs/dbraw/zinc/80/26/82/447802682.db2.gz JSLCLJWARDEGBB-OKZBNKHCSA-N 1 3 331.460 1.392 20 0 EDADHO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H]1CCCCN1 ZINC000423113947 447807441 /nfs/dbraw/zinc/80/74/41/447807441.db2.gz VALLVYCLUMXYHP-KKGYMGPXSA-N 1 3 336.524 1.580 20 0 EDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113947 447807444 /nfs/dbraw/zinc/80/74/44/447807444.db2.gz VALLVYCLUMXYHP-KKGYMGPXSA-N 1 3 336.524 1.580 20 0 EDADHO C[N@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671622 447845308 /nfs/dbraw/zinc/84/53/08/447845308.db2.gz IGHHHGMHZJSKDD-AWEZNQCLSA-N 1 3 327.469 1.479 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671622 447845310 /nfs/dbraw/zinc/84/53/10/447845310.db2.gz IGHHHGMHZJSKDD-AWEZNQCLSA-N 1 3 327.469 1.479 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852487 /nfs/dbraw/zinc/85/24/87/447852487.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 1 3 338.496 1.079 20 0 EDADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852488 /nfs/dbraw/zinc/85/24/88/447852488.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 1 3 338.496 1.079 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353913 447881957 /nfs/dbraw/zinc/88/19/57/447881957.db2.gz HETIRKRAIPYWFJ-FUHWJXTLSA-N 1 3 330.476 1.894 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000575812508 447905057 /nfs/dbraw/zinc/90/50/57/447905057.db2.gz MBAOSHMITNPVIG-RTBURBONSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000569947975 447926231 /nfs/dbraw/zinc/92/62/31/447926231.db2.gz QKDZJFUBSIRCJC-BZUAXINKSA-N 1 3 339.528 1.027 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000524371909 447927637 /nfs/dbraw/zinc/92/76/37/447927637.db2.gz WLJIYRLJYIPUKH-HKUYNNGSSA-N 1 3 331.460 1.176 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000524436040 447930934 /nfs/dbraw/zinc/93/09/34/447930934.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 1 3 330.476 1.002 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000524436040 447930937 /nfs/dbraw/zinc/93/09/37/447930937.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 1 3 330.476 1.002 20 0 EDADHO CC[N@H+](CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1)C(C)C ZINC000491283437 447982133 /nfs/dbraw/zinc/98/21/33/447982133.db2.gz LGNHIMUJJZUDQS-UHFFFAOYSA-N 1 3 336.484 2.002 20 0 EDADHO CC[N@@H+](CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1)C(C)C ZINC000491283437 447982136 /nfs/dbraw/zinc/98/21/36/447982136.db2.gz LGNHIMUJJZUDQS-UHFFFAOYSA-N 1 3 336.484 2.002 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157876 447986464 /nfs/dbraw/zinc/98/64/64/447986464.db2.gz UOULGUYCKBYWBH-WBVHZDCISA-N 1 3 342.447 1.063 20 0 EDADHO COCc1ccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000525419679 447999521 /nfs/dbraw/zinc/99/95/21/447999521.db2.gz WGSLHPCCXKDEMM-UHFFFAOYSA-N 1 3 336.480 1.468 20 0 EDADHO CNC(=O)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721750 448054610 /nfs/dbraw/zinc/05/46/10/448054610.db2.gz CGDVIKPVXPEBDG-OFQRWUPVSA-N 1 3 337.439 1.456 20 0 EDADHO CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Cc1ccc(OC)c(F)c1 ZINC000570721750 448054616 /nfs/dbraw/zinc/05/46/16/448054616.db2.gz CGDVIKPVXPEBDG-OFQRWUPVSA-N 1 3 337.439 1.456 20 0 EDADHO Cc1ccc(NC(=O)CC[NH2+]CCCCN2CCN(C)CC2)nc1 ZINC000556049971 448102629 /nfs/dbraw/zinc/10/26/29/448102629.db2.gz VORLIHIKHCJWDB-UHFFFAOYSA-N 1 3 333.480 1.336 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H]3CCOC3)CC2)CC1 ZINC000576647013 448105369 /nfs/dbraw/zinc/10/53/69/448105369.db2.gz OLERRMWNSFCESJ-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570799112 448067498 /nfs/dbraw/zinc/06/74/98/448067498.db2.gz NZEIMGSZHHWDFO-QGZVFWFLSA-N 1 3 334.464 1.398 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570799111 448067528 /nfs/dbraw/zinc/06/75/28/448067528.db2.gz NZEIMGSZHHWDFO-KRWDZBQOSA-N 1 3 334.464 1.398 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000526975132 448128606 /nfs/dbraw/zinc/12/86/06/448128606.db2.gz JMKVSFLJPWQTQY-AWEZNQCLSA-N 1 3 347.463 1.405 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000526975132 448128612 /nfs/dbraw/zinc/12/86/12/448128612.db2.gz JMKVSFLJPWQTQY-AWEZNQCLSA-N 1 3 347.463 1.405 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3c[nH]nc3C)CC2)CC1 ZINC000577213959 448238049 /nfs/dbraw/zinc/23/80/49/448238049.db2.gz NZGXEUWCRVZBRR-UHFFFAOYSA-N 1 3 333.480 1.531 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCNc1cnccn1 ZINC000564824575 448340906 /nfs/dbraw/zinc/34/09/06/448340906.db2.gz KDSQFZVJBCALKX-YJBOKZPZSA-N 1 3 325.416 1.734 20 0 EDADHO CC[NH2+]CCCNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000572392080 448367705 /nfs/dbraw/zinc/36/77/05/448367705.db2.gz IZXSWSGIKUXRAC-UHFFFAOYSA-N 1 3 339.505 1.737 20 0 EDADHO CCNCCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000572392080 448367710 /nfs/dbraw/zinc/36/77/10/448367710.db2.gz IZXSWSGIKUXRAC-UHFFFAOYSA-N 1 3 339.505 1.737 20 0 EDADHO CN1CCC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000591571566 448392971 /nfs/dbraw/zinc/39/29/71/448392971.db2.gz PRGCJBATSONFEI-KRWDZBQOSA-N 1 3 348.491 1.563 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831575 448395404 /nfs/dbraw/zinc/39/54/04/448395404.db2.gz CMVDDJMOAAPMOP-SOLBZPMBSA-N 1 3 330.476 1.806 20 0 EDADHO COc1cc(C)nc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000533832315 448424827 /nfs/dbraw/zinc/42/48/27/448424827.db2.gz LFSBARMBKSBNIA-GOSISDBHSA-N 1 3 332.492 1.999 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010985 448439331 /nfs/dbraw/zinc/43/93/31/448439331.db2.gz KMDLTOJUENXBTK-HZPDHXFCSA-N 1 3 326.529 1.400 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068194 448453839 /nfs/dbraw/zinc/45/38/39/448453839.db2.gz SGOGTSUQPGXWHT-NUJGCVRESA-N 1 3 335.492 1.478 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC000572791595 448465245 /nfs/dbraw/zinc/46/52/45/448465245.db2.gz LMJGGVQUQNKZPF-DLBZAZTESA-N 1 3 332.448 1.230 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2)CC1 ZINC000584353533 448496279 /nfs/dbraw/zinc/49/62/79/448496279.db2.gz CJURZEVLYHVEMO-UHFFFAOYSA-N 1 3 330.476 1.700 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455233 448536265 /nfs/dbraw/zinc/53/62/65/448536265.db2.gz DRWACVABHPGFBG-ULQDDVLXSA-N 1 3 328.497 1.379 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455233 448536268 /nfs/dbraw/zinc/53/62/68/448536268.db2.gz DRWACVABHPGFBG-ULQDDVLXSA-N 1 3 328.497 1.379 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N(C)CCC[NH+](C)C)CC2)c1 ZINC000537213524 448552733 /nfs/dbraw/zinc/55/27/33/448552733.db2.gz CLHDZTCUNOFWFF-UHFFFAOYSA-N 1 3 346.519 1.917 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573485277 448639217 /nfs/dbraw/zinc/63/92/17/448639217.db2.gz KXUVRNLMDRKUCB-RCCFBDPRSA-N 1 3 328.460 1.362 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000567494280 448702935 /nfs/dbraw/zinc/70/29/35/448702935.db2.gz XHKSIVZYERYMDJ-MJGOQNOKSA-N 1 3 348.487 1.825 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529104778 448762235 /nfs/dbraw/zinc/76/22/35/448762235.db2.gz CNFJYPGIRNWVNA-MRXNPFEDSA-N 1 3 348.495 1.973 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529104778 448762237 /nfs/dbraw/zinc/76/22/37/448762237.db2.gz CNFJYPGIRNWVNA-MRXNPFEDSA-N 1 3 348.495 1.973 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000579225345 448744350 /nfs/dbraw/zinc/74/43/50/448744350.db2.gz AOEOHBHTVOKIKB-HNNXBMFYSA-N 1 3 340.512 1.151 20 0 EDADHO COc1cccc(CN(CC[NH+](C)C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC000579241971 448752287 /nfs/dbraw/zinc/75/22/87/448752287.db2.gz JTTBXDNAHOCZQO-MRXNPFEDSA-N 1 3 333.476 1.927 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000567861192 448776792 /nfs/dbraw/zinc/77/67/92/448776792.db2.gz PMGHOLXUUZQOGW-SHTZXODSSA-N 1 3 339.505 1.792 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000520588624 448914690 /nfs/dbraw/zinc/91/46/90/448914690.db2.gz UXTWFHLQPHUYOL-UHFFFAOYSA-N 1 3 330.476 1.539 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000574640596 448922551 /nfs/dbraw/zinc/92/25/51/448922551.db2.gz LRFTYXQJRSKHRD-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)[C@@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1ccccc1Cl ZINC000574804117 448959129 /nfs/dbraw/zinc/95/91/29/448959129.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 1 3 325.884 1.987 20 0 EDADHO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000569212735 448981128 /nfs/dbraw/zinc/98/11/28/448981128.db2.gz KVSRAHISNZHDRX-HXUWFJFHSA-N 1 3 349.519 1.557 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000522285959 449073534 /nfs/dbraw/zinc/07/35/34/449073534.db2.gz OLYAHHDPKLKSQY-AWEZNQCLSA-N 1 3 338.496 1.412 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]3CN3CCCC3)c21 ZINC000592957044 449078689 /nfs/dbraw/zinc/07/86/89/449078689.db2.gz LFSKVDVUIZNLOE-LSDHHAIUSA-N 1 3 331.464 1.420 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602003293 449270735 /nfs/dbraw/zinc/27/07/35/449270735.db2.gz TXECHCCCRAEIQB-HNNXBMFYSA-N 1 3 336.480 1.175 20 0 EDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000590752501 449271681 /nfs/dbraw/zinc/27/16/81/449271681.db2.gz XPDYHNVHSZZOFC-IKGGRYGDSA-N 1 3 347.459 1.337 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)c21 ZINC000595958611 449282876 /nfs/dbraw/zinc/28/28/76/449282876.db2.gz FQSTYERZMJXACS-NUEKZKHPSA-N 1 3 331.464 1.466 20 0 EDADHO CCOC(=O)c1nccc(NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000596101006 449362150 /nfs/dbraw/zinc/36/21/50/449362150.db2.gz GYSFOMFGAJMHJA-UHFFFAOYSA-N 1 3 347.463 1.046 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000617505501 449653682 /nfs/dbraw/zinc/65/36/82/449653682.db2.gz FIRIJMONLXSNKT-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000617505501 449653690 /nfs/dbraw/zinc/65/36/90/449653690.db2.gz FIRIJMONLXSNKT-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(-c2cccnc2)n1 ZINC000617502680 449648124 /nfs/dbraw/zinc/64/81/24/449648124.db2.gz YKRWAGCAYXVTDC-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(-c2cccnc2)n1 ZINC000617502680 449648132 /nfs/dbraw/zinc/64/81/32/449648132.db2.gz YKRWAGCAYXVTDC-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1-n1cccn1 ZINC000617505014 449649195 /nfs/dbraw/zinc/64/91/95/449649195.db2.gz TXHIROCDYFINCH-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1-n1cccn1 ZINC000617505014 449649198 /nfs/dbraw/zinc/64/91/98/449649198.db2.gz TXHIROCDYFINCH-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000601222869 449758751 /nfs/dbraw/zinc/75/87/51/449758751.db2.gz OUIFCQCACZAALP-QGZVFWFLSA-N 1 3 334.464 1.045 20 0 EDADHO O=C(NC1CCN(CCO)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000601328938 449836266 /nfs/dbraw/zinc/83/62/66/449836266.db2.gz AOYUXHRWGDNPQN-QGZVFWFLSA-N 1 3 338.496 1.103 20 0 EDADHO COC(=O)[C@@H]1OCC[C@@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000597191721 449864077 /nfs/dbraw/zinc/86/40/77/449864077.db2.gz GVSZMNRFUCXJMC-ZWKOTPCHSA-N 1 3 348.443 1.581 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)N[C@H]2CC23CC[NH2+]CC3)o1 ZINC000612965673 449961816 /nfs/dbraw/zinc/96/18/16/449961816.db2.gz COCKAMFSLQWFDL-INIZCTEOSA-N 1 3 334.464 1.803 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612986018 449971898 /nfs/dbraw/zinc/97/18/98/449971898.db2.gz IINZPTSQYYTMLD-HNNXBMFYSA-N 1 3 336.505 1.963 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CCN(C)CC1 ZINC000597441823 450023067 /nfs/dbraw/zinc/02/30/67/450023067.db2.gz UYCIYBWTMZLJPW-ZDUSSCGKSA-N 1 3 326.510 1.255 20 0 EDADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000615309056 450057479 /nfs/dbraw/zinc/05/74/79/450057479.db2.gz PJILHKKDAMHOCQ-SZVBFZGTSA-N 1 3 331.460 1.174 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627257527 450586119 /nfs/dbraw/zinc/58/61/19/450586119.db2.gz ISVYEMPMKNVQRI-SJORKVTESA-N 1 3 325.497 1.556 20 0 EDADHO O[C@H](C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)CN1CCCC1 ZINC000629567137 450739753 /nfs/dbraw/zinc/73/97/53/450739753.db2.gz WPAQVQXLMDRKHH-GOSISDBHSA-N 1 3 332.423 1.600 20 0 EDADHO O[C@H](C[NH2+]CCN1CCc2c(Cl)cccc2C1)CN1CCCC1 ZINC000629575564 450744535 /nfs/dbraw/zinc/74/45/35/450744535.db2.gz JCGTUSSCEFOMDP-MRXNPFEDSA-N 1 3 337.895 1.744 20 0 EDADHO CC[C@H](C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)N(C)C ZINC000629613455 450762509 /nfs/dbraw/zinc/76/25/09/450762509.db2.gz ARVFBKZSSVMCGJ-QGZVFWFLSA-N 1 3 332.492 1.436 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000621690398 450834952 /nfs/dbraw/zinc/83/49/52/450834952.db2.gz UDWZHARUIQUTHT-PXNSSMCTSA-N 1 3 342.487 1.782 20 0 EDADHO N[C@H]1CCCCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834528 450804395 /nfs/dbraw/zinc/80/43/95/450804395.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 1 3 345.491 1.324 20 0 EDADHO N[C@H]1CCCCC[N@@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000631834528 450804397 /nfs/dbraw/zinc/80/43/97/450804397.db2.gz ZDYCQRMOFATTTR-KRWDZBQOSA-N 1 3 345.491 1.324 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700000 450857938 /nfs/dbraw/zinc/85/79/38/450857938.db2.gz CBFIKWZRUMFCOV-CYBMUJFWSA-N 1 3 338.456 1.298 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700000 450857939 /nfs/dbraw/zinc/85/79/39/450857939.db2.gz CBFIKWZRUMFCOV-CYBMUJFWSA-N 1 3 338.456 1.298 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851892 450958784 /nfs/dbraw/zinc/95/87/84/450958784.db2.gz XRRKLXMZYWEJCZ-MRXNPFEDSA-N 1 3 344.459 1.396 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626921801 451004840 /nfs/dbraw/zinc/00/48/40/451004840.db2.gz ITNYBGYLAZIBTG-KRWDZBQOSA-N 1 3 348.491 1.877 20 0 EDADHO [NH3+]CCCOCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626939484 451020023 /nfs/dbraw/zinc/02/00/23/451020023.db2.gz GBPKCZXDWYJYEM-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000626946152 451025897 /nfs/dbraw/zinc/02/58/97/451025897.db2.gz MDBYLFQBHPIFEK-NVXWUHKLSA-N 1 3 334.464 1.357 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)NC2(C[NH3+])CCOCC2)N(C)C)cc1 ZINC000626952300 451030705 /nfs/dbraw/zinc/03/07/05/451030705.db2.gz CMGSSWKUHXITNA-MRXNPFEDSA-N 1 3 334.464 1.405 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626992734 451058956 /nfs/dbraw/zinc/05/89/56/451058956.db2.gz CTMCQXFBRBWLFQ-ZBFHGGJFSA-N 1 3 326.485 1.316 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)N(C)CCOCC[NH3+])c1ccccc1 ZINC000626978738 451047231 /nfs/dbraw/zinc/04/72/31/451047231.db2.gz WSPOUNHETMYXPZ-OAHLLOKOSA-N 1 3 336.480 1.733 20 0 EDADHO CN(CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(C)(C)C ZINC000635704382 451184824 /nfs/dbraw/zinc/18/48/24/451184824.db2.gz HTUKEMWVYWJNMW-IAGOWNOFSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638086928 451251819 /nfs/dbraw/zinc/25/18/19/451251819.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 1 3 346.519 1.682 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638086928 451251825 /nfs/dbraw/zinc/25/18/25/451251825.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 1 3 346.519 1.682 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@]2(COC)CCCCN2)C1 ZINC000638128394 451298377 /nfs/dbraw/zinc/29/83/77/451298377.db2.gz SGSMTXPIWGWWHU-WMZOPIPTSA-N 1 3 341.496 1.104 20 0 EDADHO CC[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000638138419 451312886 /nfs/dbraw/zinc/31/28/86/451312886.db2.gz ASDLSWNMYNDBCM-MRXNPFEDSA-N 1 3 348.491 1.274 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141807 451316280 /nfs/dbraw/zinc/31/62/80/451316280.db2.gz IGHHKNHQPDQAJO-MOPGFXCFSA-N 1 3 344.503 1.436 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638251441 451381560 /nfs/dbraw/zinc/38/15/60/451381560.db2.gz HTQOAFMVRXNTNQ-GFCCVEGCSA-N 1 3 333.436 1.161 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638276370 451395225 /nfs/dbraw/zinc/39/52/25/451395225.db2.gz OEERSFVPLNURDU-SFHVURJKSA-N 1 3 345.487 1.444 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000630772815 451395837 /nfs/dbraw/zinc/39/58/37/451395837.db2.gz RISSCBFFWGZITN-UHFFFAOYSA-N 1 3 345.447 1.637 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000638286304 451402485 /nfs/dbraw/zinc/40/24/85/451402485.db2.gz POCIGPVCQSJRFA-WMEZAQDKSA-N 1 3 331.460 1.390 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630831669 451426498 /nfs/dbraw/zinc/42/64/98/451426498.db2.gz NJCOADVURYQILT-UHFFFAOYSA-N 1 3 335.496 1.637 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630831669 451426506 /nfs/dbraw/zinc/42/65/06/451426506.db2.gz NJCOADVURYQILT-UHFFFAOYSA-N 1 3 335.496 1.637 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350257 451451653 /nfs/dbraw/zinc/45/16/53/451451653.db2.gz FEDWESUFMHXIOM-ZWKOTPCHSA-N 1 3 338.455 1.362 20 0 EDADHO CC(C)[C@@H](C[NH2+]C1CCN(CC(C)(C)O)CC1)N1CCN(C)CC1 ZINC000638353680 451454349 /nfs/dbraw/zinc/45/43/49/451454349.db2.gz STYQJEHVPFQXJA-GOSISDBHSA-N 1 3 340.556 1.083 20 0 EDADHO CC(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1CCN(C)CC1 ZINC000638353680 451454356 /nfs/dbraw/zinc/45/43/56/451454356.db2.gz STYQJEHVPFQXJA-GOSISDBHSA-N 1 3 340.556 1.083 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000638405968 451494607 /nfs/dbraw/zinc/49/46/07/451494607.db2.gz HTDBCVZNMUWMSB-ZWKOTPCHSA-N 1 3 333.476 1.633 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000638405968 451494614 /nfs/dbraw/zinc/49/46/14/451494614.db2.gz HTDBCVZNMUWMSB-ZWKOTPCHSA-N 1 3 333.476 1.633 20 0 EDADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000638458483 451526487 /nfs/dbraw/zinc/52/64/87/451526487.db2.gz DOERNFQMGNELFC-RDJZCZTQSA-N 1 3 336.524 1.582 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638546196 451571444 /nfs/dbraw/zinc/57/14/44/451571444.db2.gz CITSPSRFCSEGDE-BFHYXJOUSA-N 1 3 329.366 1.542 20 0 EDADHO O=C(c1cccc2c1CCNC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785919 451691755 /nfs/dbraw/zinc/69/17/55/451691755.db2.gz HPIAEMPFTBMPHJ-KRWDZBQOSA-N 1 3 343.471 1.563 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1CNC1 ZINC000638834738 451705280 /nfs/dbraw/zinc/70/52/80/451705280.db2.gz IAGJJZSRVOELKA-DOTOQJQBSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1CNC1 ZINC000638834738 451705286 /nfs/dbraw/zinc/70/52/86/451705286.db2.gz IAGJJZSRVOELKA-DOTOQJQBSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(N)C(F)(F)F ZINC000638837532 451706035 /nfs/dbraw/zinc/70/60/35/451706035.db2.gz ZJMVACRLGAXLMK-KWCYVHTRSA-N 1 3 329.366 1.760 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(N)C(F)(F)F ZINC000638837532 451706038 /nfs/dbraw/zinc/70/60/38/451706038.db2.gz ZJMVACRLGAXLMK-KWCYVHTRSA-N 1 3 329.366 1.760 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637263511 451774145 /nfs/dbraw/zinc/77/41/45/451774145.db2.gz HCXKUFJDNHHEQI-IMJJTQAJSA-N 1 3 326.485 1.125 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637263511 451774146 /nfs/dbraw/zinc/77/41/46/451774146.db2.gz HCXKUFJDNHHEQI-IMJJTQAJSA-N 1 3 326.485 1.125 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000639190574 451789167 /nfs/dbraw/zinc/78/91/67/451789167.db2.gz NTEDPUCPXZLFBI-QUCCMNQESA-N 1 3 332.488 1.978 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000642113225 451823730 /nfs/dbraw/zinc/82/37/30/451823730.db2.gz MHCYALXMNJVLTF-WBVHZDCISA-N 1 3 346.475 1.039 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000646914959 451933427 /nfs/dbraw/zinc/93/34/27/451933427.db2.gz HAVJSBBHNQQXGH-MJGOQNOKSA-N 1 3 342.487 1.605 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC000646914959 451933433 /nfs/dbraw/zinc/93/34/33/451933433.db2.gz HAVJSBBHNQQXGH-MJGOQNOKSA-N 1 3 342.487 1.605 20 0 EDADHO CN(CCc1cnccn1)[C@H]1CCC[N@H+](CCc2cnccn2)CC1 ZINC000639547066 451938989 /nfs/dbraw/zinc/93/89/89/451938989.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 1 3 340.475 1.838 20 0 EDADHO CN(CCc1cnccn1)[C@H]1CCC[N@@H+](CCc2cnccn2)CC1 ZINC000639547066 451938994 /nfs/dbraw/zinc/93/89/94/451938994.db2.gz PSXVPGJLNQCDGK-IBGZPJMESA-N 1 3 340.475 1.838 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CCN(C)C ZINC000637601668 451966906 /nfs/dbraw/zinc/96/69/06/451966906.db2.gz BOBFCSLLQVVMCK-AEFFLSMTSA-N 1 3 332.492 1.958 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CCN(C)C ZINC000637601668 451966910 /nfs/dbraw/zinc/96/69/10/451966910.db2.gz BOBFCSLLQVVMCK-AEFFLSMTSA-N 1 3 332.492 1.958 20 0 EDADHO COCCC1(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306850 451984104 /nfs/dbraw/zinc/98/41/04/451984104.db2.gz TVUCZLRZHGBDNT-HOTGVXAUSA-N 1 3 325.497 1.629 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CNCCC1(F)F ZINC000649308500 451985526 /nfs/dbraw/zinc/98/55/26/451985526.db2.gz KQEQHRXDFHTFQO-AWEZNQCLSA-N 1 3 341.402 1.488 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649322859 452001464 /nfs/dbraw/zinc/00/14/64/452001464.db2.gz QXTCPNZAORAXLO-GOSISDBHSA-N 1 3 327.472 1.908 20 0 EDADHO CN1CC=C(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637666556 452007522 /nfs/dbraw/zinc/00/75/22/452007522.db2.gz CYDSURVVRMYQOY-UHFFFAOYSA-N 1 3 332.452 1.533 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000649332322 452014769 /nfs/dbraw/zinc/01/47/69/452014769.db2.gz SDFKKCPISZHRIK-WMLDXEAASA-N 1 3 344.459 1.449 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649345839 452028190 /nfs/dbraw/zinc/02/81/90/452028190.db2.gz PEILSTBJEYKELR-OAHLLOKOSA-N 1 3 347.459 1.724 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)COC3(C)CNC3)cc2)C1 ZINC000649345839 452028194 /nfs/dbraw/zinc/02/81/94/452028194.db2.gz PEILSTBJEYKELR-OAHLLOKOSA-N 1 3 347.459 1.724 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000649351799 452036029 /nfs/dbraw/zinc/03/60/29/452036029.db2.gz SXLYCIKFLDMODX-AWEZNQCLSA-N 1 3 329.448 1.162 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649378635 452051571 /nfs/dbraw/zinc/05/15/71/452051571.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 1 3 336.524 1.523 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649378635 452051576 /nfs/dbraw/zinc/05/15/76/452051576.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 1 3 336.524 1.523 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C)[C@@H](C(C)(C)C)C2)CC1 ZINC000639748981 452091089 /nfs/dbraw/zinc/09/10/89/452091089.db2.gz PJHVRTSAMAISGF-QGZVFWFLSA-N 1 3 338.540 1.638 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000639763256 452103535 /nfs/dbraw/zinc/10/35/35/452103535.db2.gz PIRDBRYOMXEKEV-HXUWFJFHSA-N 1 3 347.503 1.407 20 0 EDADHO CN(C)C[C@]1(O)CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000639763256 452103542 /nfs/dbraw/zinc/10/35/42/452103542.db2.gz PIRDBRYOMXEKEV-HXUWFJFHSA-N 1 3 347.503 1.407 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000637843059 452111666 /nfs/dbraw/zinc/11/16/66/452111666.db2.gz ZRISLGJRMCGDBA-GOSISDBHSA-N 1 3 325.412 1.849 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO1 ZINC000647184401 452112792 /nfs/dbraw/zinc/11/27/92/452112792.db2.gz FAHWQWXYTDVWPY-QAPCUYQASA-N 1 3 331.460 1.779 20 0 EDADHO CN1CCC(C[NH2+]C2CCC(F)(F)CC2)(N2CCOCC2)CC1 ZINC000647217397 452129720 /nfs/dbraw/zinc/12/97/20/452129720.db2.gz ORODWACHZXRZPT-UHFFFAOYSA-N 1 3 331.451 1.951 20 0 EDADHO CCNS(=O)(=O)c1ccccc1NCC[N@H+](C)CCCN(C)C ZINC000641656270 452173636 /nfs/dbraw/zinc/17/36/36/452173636.db2.gz FJKSUEASGJSOTP-UHFFFAOYSA-N 1 3 342.509 1.280 20 0 EDADHO CCNS(=O)(=O)c1ccccc1NCC[N@@H+](C)CCCN(C)C ZINC000641656270 452173641 /nfs/dbraw/zinc/17/36/41/452173641.db2.gz FJKSUEASGJSOTP-UHFFFAOYSA-N 1 3 342.509 1.280 20 0 EDADHO C[NH+](C)CCC1CCN(Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637963979 452209932 /nfs/dbraw/zinc/20/99/32/452209932.db2.gz DWCSVSQGPCVZFX-UHFFFAOYSA-N 1 3 325.478 1.498 20 0 EDADHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000665761986 452336929 /nfs/dbraw/zinc/33/69/29/452336929.db2.gz WQRLEJOFROPGDM-INIZCTEOSA-N 1 3 335.496 1.803 20 0 EDADHO Cc1ccc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000665761986 452336937 /nfs/dbraw/zinc/33/69/37/452336937.db2.gz WQRLEJOFROPGDM-INIZCTEOSA-N 1 3 335.496 1.803 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1ccc(-n2cncn2)c(F)c1 ZINC000657572973 452342823 /nfs/dbraw/zinc/34/28/23/452342823.db2.gz HBQUWSVFDNVRHN-HNNXBMFYSA-N 1 3 348.470 1.768 20 0 EDADHO CCC(=O)N1CCC([NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CC1 ZINC000657594601 452360666 /nfs/dbraw/zinc/36/06/66/452360666.db2.gz JAEUDTSYLNARIJ-IBGZPJMESA-N 1 3 345.487 1.744 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000638066157 452370378 /nfs/dbraw/zinc/37/03/78/452370378.db2.gz DMFOQRMPGCBRPD-PKOBYXMFSA-N 1 3 347.459 1.349 20 0 EDADHO COCCn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613622 452391019 /nfs/dbraw/zinc/39/10/19/452391019.db2.gz OKENIDSQDRDHAO-UHFFFAOYSA-N 1 3 343.475 1.926 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCOC1 ZINC000638081298 452398095 /nfs/dbraw/zinc/39/80/95/452398095.db2.gz WZWSYJBRODXYQY-ICSRJNTNSA-N 1 3 345.487 1.913 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576209 452430965 /nfs/dbraw/zinc/43/09/65/452430965.db2.gz GBFWCFGVJKBSFG-KZNAEPCWSA-N 1 3 330.476 1.868 20 0 EDADHO CN1CCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655686291 452508425 /nfs/dbraw/zinc/50/84/25/452508425.db2.gz CBNPUXVWLXBMNP-SFHVURJKSA-N 1 3 338.540 1.245 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000663849593 452576067 /nfs/dbraw/zinc/57/60/67/452576067.db2.gz KZAAZSQZWYKXNZ-MAUKXSAKSA-N 1 3 348.491 1.393 20 0 EDADHO CN1CCN(c2ncc(CN[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000655857392 452609192 /nfs/dbraw/zinc/60/91/92/452609192.db2.gz UDXXGTPKFBLVEO-MSOLQXFVSA-N 1 3 344.507 1.335 20 0 EDADHO CN1CCN(c2ncc(CN[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000655857392 452609200 /nfs/dbraw/zinc/60/92/00/452609200.db2.gz UDXXGTPKFBLVEO-MSOLQXFVSA-N 1 3 344.507 1.335 20 0 EDADHO CCN(CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919454 452644528 /nfs/dbraw/zinc/64/45/28/452644528.db2.gz BTUYNQOMUTYDRQ-MRXNPFEDSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786962 452788662 /nfs/dbraw/zinc/78/86/62/452788662.db2.gz NZANNERZHGNFGD-MOPGFXCFSA-N 1 3 345.487 1.783 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000645786962 452788668 /nfs/dbraw/zinc/78/86/68/452788668.db2.gz NZANNERZHGNFGD-MOPGFXCFSA-N 1 3 345.487 1.783 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648153132 452864797 /nfs/dbraw/zinc/86/47/97/452864797.db2.gz MDOBQARWFKSXMR-CQSZACIVSA-N 1 3 326.391 1.217 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)COC2(C)CNC2)C[N@@H+]1Cc1ccccc1 ZINC000648168007 452877633 /nfs/dbraw/zinc/87/76/33/452877633.db2.gz MVEOJCJONPWTIW-SJLPKXTDSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)COC2(C)CNC2)C[N@H+]1Cc1ccccc1 ZINC000648168007 452877646 /nfs/dbraw/zinc/87/76/46/452877646.db2.gz MVEOJCJONPWTIW-SJLPKXTDSA-N 1 3 345.487 1.782 20 0 EDADHO CN1CC[C@@]2(CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000662144462 452879421 /nfs/dbraw/zinc/87/94/21/452879421.db2.gz FHCZRSOWEIJOGV-LJQANCHMSA-N 1 3 334.508 1.846 20 0 EDADHO [NH3+]C1(CNC(=O)[C@H]2CNCCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000648179045 452891235 /nfs/dbraw/zinc/89/12/35/452891235.db2.gz QULOUIUKXPHWOW-GMDIISMXSA-N 1 3 327.419 1.501 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1C ZINC000664216261 452891361 /nfs/dbraw/zinc/89/13/61/452891361.db2.gz GEALTCBYQCYNQC-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CC[C@@H](OCC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000650710759 452947836 /nfs/dbraw/zinc/94/78/36/452947836.db2.gz YYFSBUUEQJTZFP-FUHWJXTLSA-N 1 3 333.476 1.941 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000652813725 452974052 /nfs/dbraw/zinc/97/40/52/452974052.db2.gz KBMASEZRIVDDJA-QYZOEREBSA-N 1 3 345.487 1.829 20 0 EDADHO CC[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000652813725 452974062 /nfs/dbraw/zinc/97/40/62/452974062.db2.gz KBMASEZRIVDDJA-QYZOEREBSA-N 1 3 345.487 1.829 20 0 EDADHO COC1CCN(CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654869980 452992241 /nfs/dbraw/zinc/99/22/41/452992241.db2.gz RLKJJSOMCYLMEI-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO COC1CCN(CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000654869980 452992248 /nfs/dbraw/zinc/99/22/48/452992248.db2.gz RLKJJSOMCYLMEI-SFHVURJKSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OCO2 ZINC000666632723 453024401 /nfs/dbraw/zinc/02/44/01/453024401.db2.gz JFGLLYVHBFEYPM-ZDUSSCGKSA-N 1 3 336.436 1.809 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2c1OCO2 ZINC000666632723 453024408 /nfs/dbraw/zinc/02/44/08/453024408.db2.gz JFGLLYVHBFEYPM-ZDUSSCGKSA-N 1 3 336.436 1.809 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H]1CCC[NH3+] ZINC000662316297 453033310 /nfs/dbraw/zinc/03/33/10/453033310.db2.gz VVMRIKKDBLSKGX-BPQIPLTHSA-N 1 3 345.487 1.946 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100956 453101370 /nfs/dbraw/zinc/10/13/70/453101370.db2.gz SLNISVMSCPDUQF-HNNXBMFYSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)[NH2+]CC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000662392629 453102843 /nfs/dbraw/zinc/10/28/43/453102843.db2.gz VVPMIFAPMAJFBO-UHFFFAOYSA-N 1 3 332.492 1.703 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCCN1CCCO ZINC000666754341 453117837 /nfs/dbraw/zinc/11/78/37/453117837.db2.gz LGFXKKNLJZYARJ-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)CC2)CC1 ZINC000655019489 453141494 /nfs/dbraw/zinc/14/14/94/453141494.db2.gz XCCZVZMGERNMIO-QRVBRYPASA-N 1 3 349.519 1.866 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459394 453168542 /nfs/dbraw/zinc/16/85/42/453168542.db2.gz YNOPTLFRZSIODC-CQSZACIVSA-N 1 3 334.468 1.197 20 0 EDADHO CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000664575446 453209510 /nfs/dbraw/zinc/20/95/10/453209510.db2.gz BEXZBBZJWJBILI-YESZJQIVSA-N 1 3 342.528 1.761 20 0 EDADHO CC(C)[C@H]1C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000664575446 453209512 /nfs/dbraw/zinc/20/95/12/453209512.db2.gz BEXZBBZJWJBILI-YESZJQIVSA-N 1 3 342.528 1.761 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000664639211 453275225 /nfs/dbraw/zinc/27/52/25/453275225.db2.gz DLOKALLFTOSWJE-BBWFWOEESA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCO[C@H](C)C1 ZINC000664639211 453275235 /nfs/dbraw/zinc/27/52/35/453275235.db2.gz DLOKALLFTOSWJE-BBWFWOEESA-N 1 3 342.528 1.763 20 0 EDADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105585 453288224 /nfs/dbraw/zinc/28/82/24/453288224.db2.gz ANAOKEYQRZULGP-SCTDSRPQSA-N 1 3 329.444 1.176 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653108989 453293653 /nfs/dbraw/zinc/29/36/53/453293653.db2.gz PAIWWBIQFVDWEM-MSOLQXFVSA-N 1 3 331.460 1.774 20 0 EDADHO CN(CC[NH+]1CCCCC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666979161 453300455 /nfs/dbraw/zinc/30/04/55/453300455.db2.gz OEYWMILCQDHTMC-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000653115150 453302991 /nfs/dbraw/zinc/30/29/91/453302991.db2.gz FMERRACMBNTYGV-GOSISDBHSA-N 1 3 348.491 1.108 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662576432 453303588 /nfs/dbraw/zinc/30/35/88/453303588.db2.gz XQMPGZKZHXGFSZ-YOEHRIQHSA-N 1 3 349.500 1.752 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653117355 453304935 /nfs/dbraw/zinc/30/49/35/453304935.db2.gz JPJUTKXNHYQCPF-CRAIPNDOSA-N 1 3 332.492 1.607 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116723 453305028 /nfs/dbraw/zinc/30/50/28/453305028.db2.gz QDEGVEFLRAQJGS-MOPGFXCFSA-N 1 3 345.487 1.816 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000653119616 453309306 /nfs/dbraw/zinc/30/93/06/453309306.db2.gz PTOVBBAXCKNIHG-BHIYHBOVSA-N 1 3 346.519 1.777 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CCN1Cc1ccccc1 ZINC000653122672 453312556 /nfs/dbraw/zinc/31/25/56/453312556.db2.gz ATDHEYGTTSGWJV-KPFFTGBYSA-N 1 3 343.471 1.345 20 0 EDADHO O=C(C[C@H]1CSCCN1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613386 453331840 /nfs/dbraw/zinc/33/18/40/453331840.db2.gz FADZOCSTURRAIG-HNNXBMFYSA-N 1 3 341.521 1.089 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000664716327 453342662 /nfs/dbraw/zinc/34/26/62/453342662.db2.gz ACMSCDXLUDZWGA-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000664716327 453342672 /nfs/dbraw/zinc/34/26/72/453342672.db2.gz ACMSCDXLUDZWGA-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC[N@@H+]1C ZINC000648869778 453345283 /nfs/dbraw/zinc/34/52/83/453345283.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 1 3 330.476 1.702 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CC[N@H+]1C ZINC000648869778 453345296 /nfs/dbraw/zinc/34/52/96/453345296.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 1 3 330.476 1.702 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000651194567 453347276 /nfs/dbraw/zinc/34/72/76/453347276.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 1 3 341.544 1.243 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000651194567 453347283 /nfs/dbraw/zinc/34/72/83/453347283.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 1 3 341.544 1.243 20 0 EDADHO CO[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCC1 ZINC000667058091 453373530 /nfs/dbraw/zinc/37/35/30/453373530.db2.gz VNUFUTHROAQDTJ-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3CNCc4ccccc43)C2)C1 ZINC000653182955 453373762 /nfs/dbraw/zinc/37/37/62/453373762.db2.gz ZOOIEJJBCIGJDN-ISARSNTHSA-N 1 3 343.471 1.618 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681119 453401807 /nfs/dbraw/zinc/40/18/07/453401807.db2.gz AUZAFAPFKVXSIS-VXGBXAGGSA-N 1 3 325.400 1.082 20 0 EDADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000664808756 453420124 /nfs/dbraw/zinc/42/01/24/453420124.db2.gz GHQXEELXHAQEFG-IKGGRYGDSA-N 1 3 338.496 1.100 20 0 EDADHO CN(C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1O ZINC000664808756 453420132 /nfs/dbraw/zinc/42/01/32/453420132.db2.gz GHQXEELXHAQEFG-IKGGRYGDSA-N 1 3 338.496 1.100 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000667138252 453430625 /nfs/dbraw/zinc/43/06/25/453430625.db2.gz YFLJUIGHHWZKNE-INIZCTEOSA-N 1 3 348.495 1.687 20 0 EDADHO Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C(N)=O)c1 ZINC000667190803 453465837 /nfs/dbraw/zinc/46/58/37/453465837.db2.gz ZIMYDSDHZYRGLN-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C(N)=O)c1 ZINC000667190803 453465844 /nfs/dbraw/zinc/46/58/44/453465844.db2.gz ZIMYDSDHZYRGLN-AWEZNQCLSA-N 1 3 349.479 1.487 20 0 EDADHO CN1CCN(CCCNC(=O)CC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000662756526 453494436 /nfs/dbraw/zinc/49/44/36/453494436.db2.gz IOQQYIAUYRXNCC-QGZVFWFLSA-N 1 3 330.476 1.363 20 0 EDADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692347 453518422 /nfs/dbraw/zinc/51/84/22/453518422.db2.gz OTYSJQNMMHQKIM-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662845524 453566844 /nfs/dbraw/zinc/56/68/44/453566844.db2.gz JDOVTOIRPAULNM-SFHVURJKSA-N 1 3 336.524 1.252 20 0 EDADHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc1 ZINC000665080607 453568589 /nfs/dbraw/zinc/56/85/89/453568589.db2.gz DJCRRJHAQWYZCS-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO Cc1ccc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc1 ZINC000665080607 453568593 /nfs/dbraw/zinc/56/85/93/453568593.db2.gz DJCRRJHAQWYZCS-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](N)CC(F)F)cc1 ZINC000662868604 453580148 /nfs/dbraw/zinc/58/01/48/453580148.db2.gz MMKGKDQBKYYZRB-ZNMIVQPWSA-N 1 3 341.402 1.630 20 0 EDADHO COCCN1CC[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034597 453591315 /nfs/dbraw/zinc/59/13/15/453591315.db2.gz OWNHGOYXZFQQRI-IAGOWNOFSA-N 1 3 348.447 1.190 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660828847 453593207 /nfs/dbraw/zinc/59/32/07/453593207.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 1 3 339.528 1.042 20 0 EDADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)CN1CCN(C)CC1 ZINC000660828847 453593213 /nfs/dbraw/zinc/59/32/13/453593213.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 1 3 339.528 1.042 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000662907670 453597600 /nfs/dbraw/zinc/59/76/00/453597600.db2.gz QKXATHUFWFTUPD-AWEZNQCLSA-N 1 3 346.475 1.453 20 0 EDADHO C[NH+](C)C1(CNC(=O)C2(N)CC3(CCC3)C2)Cc2ccccc2C1 ZINC000659291662 453704969 /nfs/dbraw/zinc/70/49/69/453704969.db2.gz IZEYQGINVCFJKM-UHFFFAOYSA-N 1 3 327.472 1.863 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657346525 453771393 /nfs/dbraw/zinc/77/13/93/453771393.db2.gz FKBLMHDCNFZTFE-CYBMUJFWSA-N 1 3 347.429 1.802 20 0 EDADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000683346206 486693889 /nfs/dbraw/zinc/69/38/89/486693889.db2.gz XHRVAGDANCOSLE-HOTGVXAUSA-N 1 3 344.463 1.814 20 0 EDADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc(-n2cnnn2)c1 ZINC000683346206 486693894 /nfs/dbraw/zinc/69/38/94/486693894.db2.gz XHRVAGDANCOSLE-HOTGVXAUSA-N 1 3 344.463 1.814 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417522334 486800042 /nfs/dbraw/zinc/80/00/42/486800042.db2.gz GCLHLMPBXJGZGG-IAGOWNOFSA-N 1 3 348.491 1.739 20 0 EDADHO OCC[C@@]1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000683707238 486796286 /nfs/dbraw/zinc/79/62/86/486796286.db2.gz ZMTATJFEOYXWRW-LJQANCHMSA-N 1 3 334.460 1.792 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cn1 ZINC000680591809 486821951 /nfs/dbraw/zinc/82/19/51/486821951.db2.gz CZKMIZKLDSJKBO-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000430998499 486900863 /nfs/dbraw/zinc/90/08/63/486900863.db2.gz CBHBXOOCGMZDJR-RBUKOAKNSA-N 1 3 344.503 1.438 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000431025479 486902706 /nfs/dbraw/zinc/90/27/06/486902706.db2.gz SYFLVIGUSQPXCY-QYZOEREBSA-N 1 3 344.503 1.609 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNCc1cccc(NS(C)(=O)=O)c1 ZINC000674710953 487303493 /nfs/dbraw/zinc/30/34/93/487303493.db2.gz MDWJVVKFRHCWPU-MRXNPFEDSA-N 1 3 343.493 1.505 20 0 EDADHO CN(c1ccccc1C[NH2+]CCCn1cncn1)C1CCN(C)CC1 ZINC000675334091 487399564 /nfs/dbraw/zinc/39/95/64/487399564.db2.gz MFUQIZROEQPOQO-UHFFFAOYSA-N 1 3 342.491 1.988 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669540649 485524522 /nfs/dbraw/zinc/52/45/22/485524522.db2.gz YMNQURASSRYVDE-AWEZNQCLSA-N 1 3 331.464 1.658 20 0 EDADHO Cc1ccc2nc(CN[C@H]3CCN(C4CC[NH+](C)CC4)C3)cn2c1 ZINC000671190494 485887781 /nfs/dbraw/zinc/88/77/81/485887781.db2.gz CYYVPKCAWBMUJP-INIZCTEOSA-N 1 3 327.476 1.901 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc2[nH]ccc21 ZINC000669788056 486166749 /nfs/dbraw/zinc/16/67/49/486166749.db2.gz XKADQRUNJQKRCV-UHFFFAOYSA-N 1 3 345.491 1.845 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000669491359 486263314 /nfs/dbraw/zinc/26/33/14/486263314.db2.gz WPWLIAAAOODYSX-DLBZAZTESA-N 1 3 334.508 1.890 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H](O)Cn2ccnn2)CC1 ZINC000459716906 486459638 /nfs/dbraw/zinc/45/96/38/486459638.db2.gz QFZZERQIPNMSSJ-VQIMIIECSA-N 1 3 343.475 1.324 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390854541 486479345 /nfs/dbraw/zinc/47/93/45/486479345.db2.gz FUWYZCXJBQMKNB-OKZBNKHCSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000153232986 534416412 /nfs/dbraw/zinc/41/64/12/534416412.db2.gz NXCURYNUOGDBAA-IYBDPMFKSA-N 1 3 330.476 1.256 20 0 EDADHO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236794433 535059143 /nfs/dbraw/zinc/05/91/43/535059143.db2.gz CWSJKWPBZXXFQF-IRXDYDNUSA-N 1 3 346.475 1.775 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000333434639 535330544 /nfs/dbraw/zinc/33/05/44/535330544.db2.gz VEBNPYCPWJRIRK-SFHVURJKSA-N 1 3 338.496 1.271 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCN(c2ccncc2OC)CC1 ZINC000353180551 535512483 /nfs/dbraw/zinc/51/24/83/535512483.db2.gz JPAKEUIMPQCNLH-UHFFFAOYSA-N 1 3 349.479 1.654 20 0 EDADHO CC[NH+]1CCN(c2cccc(NC(=O)N3CCN[C@H](C)C3)c2)CC1 ZINC000333357898 535751512 /nfs/dbraw/zinc/75/15/12/535751512.db2.gz SHUVBFYKMYXZLC-OAHLLOKOSA-N 1 3 331.464 1.654 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261641148 536019673 /nfs/dbraw/zinc/01/96/73/536019673.db2.gz GFZTVCOZQDWBJY-INIZCTEOSA-N 1 3 339.505 1.805 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)N(C)C1 ZINC000347305979 536777156 /nfs/dbraw/zinc/77/71/56/536777156.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 1 3 338.496 1.364 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)N(C)C1 ZINC000347305979 536777164 /nfs/dbraw/zinc/77/71/64/536777164.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 1 3 338.496 1.364 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000247313778 536859488 /nfs/dbraw/zinc/85/94/88/536859488.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000247313778 536859494 /nfs/dbraw/zinc/85/94/94/536859494.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 1 3 340.512 1.374 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978136 579495916 /nfs/dbraw/zinc/49/59/16/579495916.db2.gz DDYOMHJRMUZXIR-HNNXBMFYSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734272146 578804137 /nfs/dbraw/zinc/80/41/37/578804137.db2.gz BGNPFMMJYDUQGR-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=S)NC2CCN(C)CC2)C1 ZINC000747659425 579652802 /nfs/dbraw/zinc/65/28/02/579652802.db2.gz JWYBBBXDNMLDOI-MRXNPFEDSA-N 1 3 342.553 1.388 20 0 EDADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366127 579723072 /nfs/dbraw/zinc/72/30/72/579723072.db2.gz UTXSFUURVWPWPZ-NSHDSACASA-N 1 3 327.366 1.761 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000757228737 579965921 /nfs/dbraw/zinc/96/59/21/579965921.db2.gz DPCKJDBZZUZQIJ-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000757228737 579965922 /nfs/dbraw/zinc/96/59/22/579965922.db2.gz DPCKJDBZZUZQIJ-HNNXBMFYSA-N 1 3 336.484 1.544 20 0 EDADHO Cc1ccccc1[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000764479205 580121382 /nfs/dbraw/zinc/12/13/82/580121382.db2.gz MHWJYQLMVMGXRU-MISYRCLQSA-N 1 3 331.504 1.986 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)NCCC[NH2+]C(C)C ZINC000891987808 590729720 /nfs/dbraw/zinc/72/97/20/590729720.db2.gz YTKJZBQMRCFGGW-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO N[C@@H](CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000892030284 590757143 /nfs/dbraw/zinc/75/71/43/590757143.db2.gz GEKUCCUIQMJDDY-AGIUHOORSA-N 1 3 330.354 1.465 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)C[C@H]1C(F)(F)F ZINC000892086018 590790084 /nfs/dbraw/zinc/79/00/84/590790084.db2.gz FYQGXFFHIFBOSZ-UONOGXRCSA-N 1 3 342.365 1.568 20 0 EDADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1)C1CCCC1 ZINC000892184026 590852718 /nfs/dbraw/zinc/85/27/18/590852718.db2.gz NTCDNIQXNLZBBW-BHYGNILZSA-N 1 3 338.496 1.304 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)[NH+]1CCCCC1 ZINC000892204049 590863801 /nfs/dbraw/zinc/86/38/01/590863801.db2.gz HTNFEHLTHFKVJE-BRWVUGGUSA-N 1 3 338.496 1.101 20 0 EDADHO Cc1cc(N)nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000892339738 590967883 /nfs/dbraw/zinc/96/78/83/590967883.db2.gz KCJRODRYEOQMDK-UHFFFAOYSA-N 1 3 327.432 1.936 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892391891 591007703 /nfs/dbraw/zinc/00/77/03/591007703.db2.gz MTHIEUZCLLEWOR-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892438374 591028159 /nfs/dbraw/zinc/02/81/59/591028159.db2.gz ZCGPYIHGKUYFQU-SHTZXODSSA-N 1 3 347.463 1.439 20 0 EDADHO COCCC1(NC(=O)N[C@@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000891349495 591054414 /nfs/dbraw/zinc/05/44/14/591054414.db2.gz IQIYXMYYVLTSHH-HNNXBMFYSA-N 1 3 326.485 1.319 20 0 EDADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891350308 591054796 /nfs/dbraw/zinc/05/47/96/591054796.db2.gz PLOBKPRGHFIKPF-CRAIPNDOSA-N 1 3 330.476 1.875 20 0 EDADHO O=C(NCC1CCN(Cc2cccs2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891459542 591078405 /nfs/dbraw/zinc/07/84/05/591078405.db2.gz KRICRLRHFOVAJI-GJZGRUSLSA-N 1 3 334.489 1.716 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000891461409 591079335 /nfs/dbraw/zinc/07/93/35/591079335.db2.gz MAYLYCGMKRTWHD-RBSFLKMASA-N 1 3 336.505 1.997 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587085 591083136 /nfs/dbraw/zinc/08/31/36/591083136.db2.gz IXTNNHQZFYFTCW-NOVWEMISSA-N 1 3 328.460 1.785 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536067 591111556 /nfs/dbraw/zinc/11/15/56/591111556.db2.gz CDGSEXRNUHYHIZ-QGZVFWFLSA-N 1 3 346.475 1.242 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891538393 591113056 /nfs/dbraw/zinc/11/30/56/591113056.db2.gz XJNJYEMKYCGSTG-CABCVRRESA-N 1 3 326.485 1.175 20 0 EDADHO CCN(C(=O)NC1CCN(CCOC(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891635124 591160240 /nfs/dbraw/zinc/16/02/40/591160240.db2.gz JSOWKZMXFZYQFC-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892804170 591183463 /nfs/dbraw/zinc/18/34/63/591183463.db2.gz AHSFTBRCHTWRGM-ZWKOTPCHSA-N 1 3 330.476 1.827 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892804433 591184575 /nfs/dbraw/zinc/18/45/75/591184575.db2.gz FNQKRDOPKYXMTR-APWZRJJASA-N 1 3 342.487 1.828 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000892808410 591186999 /nfs/dbraw/zinc/18/69/99/591186999.db2.gz BAMRRXSXCDDRRM-RBUKOAKNSA-N 1 3 342.487 1.971 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 ZINC000892924306 591226451 /nfs/dbraw/zinc/22/64/51/591226451.db2.gz UUTMKYNZCORUQA-MRXNPFEDSA-N 1 3 337.512 1.022 20 0 EDADHO CN1CCN(CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253070 591248624 /nfs/dbraw/zinc/24/86/24/591248624.db2.gz FTKGOAPYTALABG-GJZGRUSLSA-N 1 3 329.460 1.236 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)CCCO1 ZINC000894447892 591313945 /nfs/dbraw/zinc/31/39/45/591313945.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)CCCO1 ZINC000894447892 591313948 /nfs/dbraw/zinc/31/39/48/591313948.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO Cn1ncc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1C1CC1 ZINC000894896933 591463304 /nfs/dbraw/zinc/46/33/04/591463304.db2.gz VTEPMCLBUHEBTN-UHFFFAOYSA-N 1 3 347.507 1.184 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000896451797 591466486 /nfs/dbraw/zinc/46/64/86/591466486.db2.gz IGDZLAQHMYPZAT-KESTWPANSA-N 1 3 332.488 1.904 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC[NH+](C)CC1 ZINC000894951252 591496926 /nfs/dbraw/zinc/49/69/26/591496926.db2.gz JQIMYBBGLJHIJE-HUUCEWRRSA-N 1 3 340.537 1.692 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515137 591515414 /nfs/dbraw/zinc/51/54/14/591515414.db2.gz JRTUQYPIPQXKCO-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000897652145 591606362 /nfs/dbraw/zinc/60/63/62/591606362.db2.gz UOXWPIIWIUQUNZ-WFDRTZIDSA-N 1 3 339.480 1.836 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC12CCCCC2 ZINC000897657966 591608797 /nfs/dbraw/zinc/60/87/97/591608797.db2.gz VPHYOXDLHWQZNY-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)(C[NH2+]C1CCN(c2ccncc2)CC1)CS(C)(=O)=O ZINC000896870983 591640906 /nfs/dbraw/zinc/64/09/06/591640906.db2.gz VRYOXUSZYUVHON-UHFFFAOYSA-N 1 3 325.478 1.711 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C1CCOCC1 ZINC000897002042 591709667 /nfs/dbraw/zinc/70/96/67/591709667.db2.gz LTCHDDQHCQIGQX-UHFFFAOYSA-N 1 3 342.528 1.574 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000895343728 591722139 /nfs/dbraw/zinc/72/21/39/591722139.db2.gz KWFDUTJUZAPFMJ-MRXNPFEDSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)CCCN2 ZINC000899246114 591748238 /nfs/dbraw/zinc/74/82/38/591748238.db2.gz DCCQTWOTMJJCGQ-AWEZNQCLSA-N 1 3 333.480 1.442 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(n1)CCCN2 ZINC000899246114 591748242 /nfs/dbraw/zinc/74/82/42/591748242.db2.gz DCCQTWOTMJJCGQ-AWEZNQCLSA-N 1 3 333.480 1.442 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000899977815 591853954 /nfs/dbraw/zinc/85/39/54/591853954.db2.gz SWXZCIBXFSNWNR-GOSISDBHSA-N 1 3 325.497 1.604 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899601358 591866941 /nfs/dbraw/zinc/86/69/41/591866941.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 1 3 340.537 1.188 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCN1C1CCOCC1 ZINC000899601358 591866944 /nfs/dbraw/zinc/86/69/44/591866944.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 1 3 340.537 1.188 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@@H+]1C ZINC000898368774 591894336 /nfs/dbraw/zinc/89/43/36/591894336.db2.gz PZBVGBOYVFIGLZ-UTUOFQBUSA-N 1 3 325.844 1.487 20 0 EDADHO C[C@@H]1C[C@H](N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC[N@H+]1C ZINC000898368774 591894338 /nfs/dbraw/zinc/89/43/38/591894338.db2.gz PZBVGBOYVFIGLZ-UTUOFQBUSA-N 1 3 325.844 1.487 20 0 EDADHO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000902336086 591980793 /nfs/dbraw/zinc/98/07/93/591980793.db2.gz DNSJXJCJYSOMDI-OAHLLOKOSA-N 1 3 331.526 1.558 20 0 EDADHO CN(C)c1nc(C(F)(F)F)ccc1CNCCOCC[NH+](C)C ZINC000902485853 592005383 /nfs/dbraw/zinc/00/53/83/592005383.db2.gz AFPUYQGLGGYYRQ-UHFFFAOYSA-N 1 3 334.386 1.834 20 0 EDADHO COC(=O)c1ccccc1CONC(=N)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807274 592062869 /nfs/dbraw/zinc/06/28/69/592062869.db2.gz DDWWIWANJURYEP-DZGCQCFKSA-N 1 3 333.388 1.335 20 0 EDADHO COC(=O)c1ccccc1CONC(=N)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807274 592062871 /nfs/dbraw/zinc/06/28/71/592062871.db2.gz DDWWIWANJURYEP-DZGCQCFKSA-N 1 3 333.388 1.335 20 0 EDADHO COC(=O)c1cc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000902806120 592062931 /nfs/dbraw/zinc/06/29/31/592062931.db2.gz KYIQYWHYZBEMBO-NWDGAFQWSA-N 1 3 339.417 1.396 20 0 EDADHO COC(=O)c1cc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000902806120 592062933 /nfs/dbraw/zinc/06/29/33/592062933.db2.gz KYIQYWHYZBEMBO-NWDGAFQWSA-N 1 3 339.417 1.396 20 0 EDADHO N=C(NOCc1noc(C2CCCCC2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807479 592063575 /nfs/dbraw/zinc/06/35/75/592063575.db2.gz HOZNZFSUMOZKBA-UONOGXRCSA-N 1 3 349.435 1.979 20 0 EDADHO N=C(NOCc1noc(C2CCCCC2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807479 592063578 /nfs/dbraw/zinc/06/35/78/592063578.db2.gz HOZNZFSUMOZKBA-UONOGXRCSA-N 1 3 349.435 1.979 20 0 EDADHO CN(C(=O)C[C@@]1(O)CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656618 592082971 /nfs/dbraw/zinc/08/29/71/592082971.db2.gz MHJZGHSERYSHSD-IBGZPJMESA-N 1 3 349.475 1.437 20 0 EDADHO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000903131871 592124152 /nfs/dbraw/zinc/12/41/52/592124152.db2.gz XGZXWYNEVBCKJO-JJXSEGSLSA-N 1 3 333.480 1.838 20 0 EDADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442462 592172168 /nfs/dbraw/zinc/17/21/68/592172168.db2.gz RJGNEOSNAALNPR-INMHGKMJSA-N 1 3 348.466 1.898 20 0 EDADHO CN(C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484682 592177806 /nfs/dbraw/zinc/17/78/06/592177806.db2.gz VEBUJZNEBGMYTD-MSOLQXFVSA-N 1 3 344.503 1.670 20 0 EDADHO COc1ccc(OC)c([C@@H](C)NC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496655 592187920 /nfs/dbraw/zinc/18/79/20/592187920.db2.gz XMSBUHYWNUQNFH-RBSFLKMASA-N 1 3 349.475 1.798 20 0 EDADHO [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)CCCN2CCCC2)CCC1 ZINC000903547937 592205422 /nfs/dbraw/zinc/20/54/22/592205422.db2.gz YAKRSPXQRBGMLR-INIZCTEOSA-N 1 3 343.537 1.786 20 0 EDADHO Fc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CCNCC3)o2)c1 ZINC000904334414 592233260 /nfs/dbraw/zinc/23/32/60/592233260.db2.gz VMBDDZRLEXAYNF-SFHVURJKSA-N 1 3 344.434 1.975 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCN1C ZINC000906663058 592245228 /nfs/dbraw/zinc/24/52/28/592245228.db2.gz CMLUICFJCMLMHK-XJKSGUPXSA-N 1 3 346.475 1.760 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1c1ccccc1 ZINC000904468702 592267595 /nfs/dbraw/zinc/26/75/95/592267595.db2.gz FJEQBCFWSGSPCK-IAGOWNOFSA-N 1 3 330.476 1.394 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCN1c1ccccc1 ZINC000904468702 592267597 /nfs/dbraw/zinc/26/75/97/592267597.db2.gz FJEQBCFWSGSPCK-IAGOWNOFSA-N 1 3 330.476 1.394 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906658714 592269132 /nfs/dbraw/zinc/26/91/32/592269132.db2.gz OHNSXXUSWKONBE-OAHLLOKOSA-N 1 3 346.475 1.568 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906658714 592269134 /nfs/dbraw/zinc/26/91/34/592269134.db2.gz OHNSXXUSWKONBE-OAHLLOKOSA-N 1 3 346.475 1.568 20 0 EDADHO C(OC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731759 592288003 /nfs/dbraw/zinc/28/80/03/592288003.db2.gz CLCROIQIBIDKRB-GUDVDZBRSA-N 1 3 338.492 1.805 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 ZINC000904607898 592295018 /nfs/dbraw/zinc/29/50/18/592295018.db2.gz VRLUFHGERRXYTL-IRXDYDNUSA-N 1 3 346.475 1.943 20 0 EDADHO CN1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592296012 /nfs/dbraw/zinc/29/60/12/592296012.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 1 3 331.460 1.395 20 0 EDADHO CN1CC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592296018 /nfs/dbraw/zinc/29/60/18/592296018.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 1 3 331.460 1.395 20 0 EDADHO c1nnc([C@@H]2CCCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1C1CC1 ZINC000903752907 592296827 /nfs/dbraw/zinc/29/68/27/592296827.db2.gz PZFMZYAGSRYKJG-NVXWUHKLSA-N 1 3 345.491 1.951 20 0 EDADHO CCOCCCNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794467 592316675 /nfs/dbraw/zinc/31/66/75/592316675.db2.gz WIVXUWFDXAQEAS-KRWDZBQOSA-N 1 3 347.503 1.910 20 0 EDADHO COc1ccc([C@@H]2CNCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781863 592321142 /nfs/dbraw/zinc/32/11/42/592321142.db2.gz CAKKQQFXQMVORR-QYZOEREBSA-N 1 3 331.460 1.410 20 0 EDADHO COc1ccc(CN(CCCO)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831359 592336799 /nfs/dbraw/zinc/33/67/99/592336799.db2.gz IRTAQTCNWYXJCC-RTBURBONSA-N 1 3 334.460 1.648 20 0 EDADHO O=C(CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCCC1 ZINC000903878608 592358733 /nfs/dbraw/zinc/35/87/33/592358733.db2.gz JPWGOSJQGAYUHY-AYHJJNSGSA-N 1 3 334.508 1.147 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNc1ccc2c(c1)OCCNC2 ZINC000903936078 592386422 /nfs/dbraw/zinc/38/64/22/592386422.db2.gz XYTDTHVBQAVURF-OAHLLOKOSA-N 1 3 328.420 1.297 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC[C@@H](O)C1(O)CCOCC1 ZINC000905029193 592386550 /nfs/dbraw/zinc/38/65/50/592386550.db2.gz ZTXJPUYAUJMJAR-GOSISDBHSA-N 1 3 336.476 1.520 20 0 EDADHO COCC[N@@H+](Cc1ccc(C)cc1C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903964153 592402557 /nfs/dbraw/zinc/40/25/57/592402557.db2.gz RFXIIJUKMURBDC-GOSISDBHSA-N 1 3 347.503 1.949 20 0 EDADHO COCC[N@H+](Cc1ccc(C)cc1C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903964153 592402558 /nfs/dbraw/zinc/40/25/58/592402558.db2.gz RFXIIJUKMURBDC-GOSISDBHSA-N 1 3 347.503 1.949 20 0 EDADHO COc1ccc(CN2CCC(C[NH2+]C[C@H](O)C3(O)CCC3)CC2)cc1 ZINC000905073961 592403373 /nfs/dbraw/zinc/40/33/73/592403373.db2.gz XCFQVHXTJFDSKZ-IBGZPJMESA-N 1 3 348.487 1.773 20 0 EDADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098496 592404634 /nfs/dbraw/zinc/40/46/34/592404634.db2.gz SWBPVCLQJLLHFO-RTBURBONSA-N 1 3 332.488 1.807 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000906887976 592406033 /nfs/dbraw/zinc/40/60/33/592406033.db2.gz AZGKIQXARHHTTD-MRXNPFEDSA-N 1 3 339.524 1.802 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000903987613 592406324 /nfs/dbraw/zinc/40/63/24/592406324.db2.gz HWAKVKWKKJPALJ-GJZGRUSLSA-N 1 3 336.505 1.595 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000903987613 592406329 /nfs/dbraw/zinc/40/63/29/592406329.db2.gz HWAKVKWKKJPALJ-GJZGRUSLSA-N 1 3 336.505 1.595 20 0 EDADHO CN1CC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)[C@H]1c1ccccc1 ZINC000907152033 592538616 /nfs/dbraw/zinc/53/86/16/592538616.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 1 3 330.476 1.041 20 0 EDADHO CN1CC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)[C@H]1c1ccccc1 ZINC000907152033 592538618 /nfs/dbraw/zinc/53/86/18/592538618.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 1 3 330.476 1.041 20 0 EDADHO N[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911623419 592967703 /nfs/dbraw/zinc/96/77/03/592967703.db2.gz NKEOKBXFFYROAG-KBPBESRZSA-N 1 3 340.265 1.659 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000911670473 592975496 /nfs/dbraw/zinc/97/54/96/592975496.db2.gz MHLZNKTUKNSRDL-VMPITWQZSA-N 1 3 331.460 1.838 20 0 EDADHO N[C@@H](CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])Cc1cc(F)c(F)cc1F ZINC000911830465 593018808 /nfs/dbraw/zinc/01/88/08/593018808.db2.gz ARLIISCQTQMKKF-XDMRBOTDSA-N 1 3 329.366 1.607 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000911838087 593020699 /nfs/dbraw/zinc/02/06/99/593020699.db2.gz YVVFHVNNLRVLFV-SJLPKXTDSA-N 1 3 333.476 1.803 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccc(OCCN(C)C)cc1 ZINC000911866666 593024430 /nfs/dbraw/zinc/02/44/30/593024430.db2.gz ATGWUNZTAVZBIG-KRWDZBQOSA-N 1 3 333.476 1.770 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082708 /nfs/dbraw/zinc/08/27/08/593082708.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082709 /nfs/dbraw/zinc/08/27/09/593082709.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839727494 593374674 /nfs/dbraw/zinc/37/46/74/593374674.db2.gz FNMBNSZECXDCGW-GDBMZVCRSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817910531 593647777 /nfs/dbraw/zinc/64/77/77/593647777.db2.gz BDMCIRUOUXBNGG-DGCLKSJQSA-N 1 3 339.452 1.371 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819388328 593753226 /nfs/dbraw/zinc/75/32/26/593753226.db2.gz FLYOTJACTFQDSP-QGZVFWFLSA-N 1 3 325.884 1.989 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC2(CCC2)C1 ZINC000820087260 593789868 /nfs/dbraw/zinc/78/98/68/593789868.db2.gz SSERXRLAIRPHPJ-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1COC2(CCC2)C1 ZINC000820087260 593789869 /nfs/dbraw/zinc/78/98/69/593789869.db2.gz SSERXRLAIRPHPJ-LSDHHAIUSA-N 1 3 326.485 1.269 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821189481 593986328 /nfs/dbraw/zinc/98/63/28/593986328.db2.gz MSZYUYFNQKAMOR-INIZCTEOSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC000821189481 593986330 /nfs/dbraw/zinc/98/63/30/593986330.db2.gz MSZYUYFNQKAMOR-INIZCTEOSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821188656 593986373 /nfs/dbraw/zinc/98/63/73/593986373.db2.gz BIIZGEOKDCLNRV-KRWDZBQOSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821188656 593986374 /nfs/dbraw/zinc/98/63/74/593986374.db2.gz BIIZGEOKDCLNRV-KRWDZBQOSA-N 1 3 344.463 1.799 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824817884 594079526 /nfs/dbraw/zinc/07/95/26/594079526.db2.gz CPUJAWQONUIZSC-KSSFIOAISA-N 1 3 339.455 1.421 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@](C)(O)c1ccc(F)cc1 ZINC000824817884 594079527 /nfs/dbraw/zinc/07/95/27/594079527.db2.gz CPUJAWQONUIZSC-KSSFIOAISA-N 1 3 339.455 1.421 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc2nonc21 ZINC000823210081 594170314 /nfs/dbraw/zinc/17/03/14/594170314.db2.gz XCAGXAULLVJSOS-LBPRGKRZSA-N 1 3 334.424 1.616 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc2nonc21 ZINC000823210081 594170316 /nfs/dbraw/zinc/17/03/16/594170316.db2.gz XCAGXAULLVJSOS-LBPRGKRZSA-N 1 3 334.424 1.616 20 0 EDADHO COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1-c1nnn[n-]1 ZINC000826201942 594377204 /nfs/dbraw/zinc/37/72/04/594377204.db2.gz IUPKNMRDOLTMQD-LBPRGKRZSA-N 1 3 330.436 1.695 20 0 EDADHO COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1-c1nn[n-]n1 ZINC000826201942 594377206 /nfs/dbraw/zinc/37/72/06/594377206.db2.gz IUPKNMRDOLTMQD-LBPRGKRZSA-N 1 3 330.436 1.695 20 0 EDADHO Cc1cc([C@H](N)CC(=O)NCCNc2cc[nH+]cc2)cc(Cl)n1 ZINC000827433883 594671594 /nfs/dbraw/zinc/67/15/94/594671594.db2.gz NCSJVJLFCCJAEP-CQSZACIVSA-N 1 3 333.823 1.479 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(F)CCNC3)cc2)CC1 ZINC000831509702 594679856 /nfs/dbraw/zinc/67/98/56/594679856.db2.gz GQBLKLIURBAFLQ-GOSISDBHSA-N 1 3 334.439 1.857 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)cc1 ZINC000841020467 594840898 /nfs/dbraw/zinc/84/08/98/594840898.db2.gz RQQGQQGRMDYWJO-KBPBESRZSA-N 1 3 332.448 1.635 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833483 594959641 /nfs/dbraw/zinc/95/96/41/594959641.db2.gz ZQOFLCHCFUYOBL-OKZBNKHCSA-N 1 3 328.460 1.607 20 0 EDADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847834 594964863 /nfs/dbraw/zinc/96/48/63/594964863.db2.gz VGTJRSBNISOQHV-CXAGYDPISA-N 1 3 345.443 1.922 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000841850675 594965283 /nfs/dbraw/zinc/96/52/83/594965283.db2.gz BYDLQCUECUNIKZ-QGZVFWFLSA-N 1 3 336.505 1.424 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000841856584 594966540 /nfs/dbraw/zinc/96/65/40/594966540.db2.gz SRXCLQWNJDTKQF-OKZBNKHCSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CCN(Cc2ccccc2)C1 ZINC000841898223 594976893 /nfs/dbraw/zinc/97/68/93/594976893.db2.gz KPYBDEHWFQTFRP-IEBWSBKVSA-N 1 3 330.476 1.935 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000842702595 595174421 /nfs/dbraw/zinc/17/44/21/595174421.db2.gz NJOBOHXYALMGKY-UHFFFAOYSA-N 1 3 347.484 1.728 20 0 EDADHO CN1c2ccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2CCC1=O ZINC000843125290 595292863 /nfs/dbraw/zinc/29/28/63/595292863.db2.gz RBBAUKWNBPQLJN-KRWDZBQOSA-N 1 3 343.471 1.783 20 0 EDADHO CN1CCCN(c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192064 595298469 /nfs/dbraw/zinc/29/84/69/595298469.db2.gz GSYFQIVYQPCBED-GOSISDBHSA-N 1 3 346.475 1.536 20 0 EDADHO CCN1C[C@@H](C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)OC1=O ZINC000846926283 595338601 /nfs/dbraw/zinc/33/86/01/595338601.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 1 3 325.453 1.401 20 0 EDADHO CCN1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CCOC)OC1=O ZINC000846926283 595338603 /nfs/dbraw/zinc/33/86/03/595338603.db2.gz PDUGUUSHFJULEG-VFSICIBPSA-N 1 3 325.453 1.401 20 0 EDADHO c1cn(-c2ncccc2CNC2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000848517464 595401400 /nfs/dbraw/zinc/40/14/00/595401400.db2.gz DLJJKAVOJLLROH-QGZVFWFLSA-N 1 3 327.432 1.610 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)C1 ZINC000848714807 595434680 /nfs/dbraw/zinc/43/46/80/595434680.db2.gz IRKCHTLHSAZURF-NEPJUHHUSA-N 1 3 325.425 1.110 20 0 EDADHO COc1ccc(CNC(=[NH2+])NCCNc2ccncc2)cc1OC ZINC000849065150 595477162 /nfs/dbraw/zinc/47/71/62/595477162.db2.gz WXSMNSRADILOSO-UHFFFAOYSA-N 1 3 329.404 1.247 20 0 EDADHO Cn1nccc1CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849084977 595479387 /nfs/dbraw/zinc/47/93/87/595479387.db2.gz GDAZXEYHMFMWCY-UHFFFAOYSA-N 1 3 340.475 1.741 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NCc2ccc(OCCN3CCCC3)cc2)CCO1 ZINC000849095525 595481043 /nfs/dbraw/zinc/48/10/43/595481043.db2.gz BDYUKQDTOMRQPB-INIZCTEOSA-N 1 3 346.475 1.906 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482435 595547102 /nfs/dbraw/zinc/54/71/02/595547102.db2.gz BHEBAYOWHIDBLD-HZPDHXFCSA-N 1 3 335.496 1.159 20 0 EDADHO CCC1(N2CCOCC2)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000860028189 595548399 /nfs/dbraw/zinc/54/83/99/595548399.db2.gz NHOVNRXWTUBICU-QGZVFWFLSA-N 1 3 325.497 1.020 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541608 595560808 /nfs/dbraw/zinc/56/08/08/595560808.db2.gz PKQNZFMAKDHNIF-UAGQMJEPSA-N 1 3 335.496 1.302 20 0 EDADHO O[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccn1 ZINC000853098224 595663819 /nfs/dbraw/zinc/66/38/19/595663819.db2.gz LNBXAWLRRHRHTM-IBGZPJMESA-N 1 3 341.459 1.312 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000853247931 595719154 /nfs/dbraw/zinc/71/91/54/595719154.db2.gz GOVXKCZQUJTPKD-UHFFFAOYSA-N 1 3 347.385 1.509 20 0 EDADHO C[C@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)N1CCCCC1 ZINC000853466268 595759044 /nfs/dbraw/zinc/75/90/44/595759044.db2.gz XKLQGRRZJSVPIW-DLBZAZTESA-N 1 3 341.544 1.432 20 0 EDADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000866705926 596302223 /nfs/dbraw/zinc/30/22/23/596302223.db2.gz JOKWIYPIHXLTKV-GDBMZVCRSA-N 1 3 331.526 1.355 20 0 EDADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000866705926 596302227 /nfs/dbraw/zinc/30/22/27/596302227.db2.gz JOKWIYPIHXLTKV-GDBMZVCRSA-N 1 3 331.526 1.355 20 0 EDADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000866705926 596302231 /nfs/dbraw/zinc/30/22/31/596302231.db2.gz JOKWIYPIHXLTKV-GDBMZVCRSA-N 1 3 331.526 1.355 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CC[C@@H]2CCc3ccccc32)C1 ZINC000866712825 596305750 /nfs/dbraw/zinc/30/57/50/596305750.db2.gz YKCYLAFKWUQHBT-PBWTXFEYSA-N 1 3 341.455 1.973 20 0 EDADHO Cc1cccc(C)c1OCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714676 596306335 /nfs/dbraw/zinc/30/63/35/596306335.db2.gz VAPFQVHHAOVQDG-BBWFWOEESA-N 1 3 345.443 1.549 20 0 EDADHO Cc1ccccc1OCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714668 596306873 /nfs/dbraw/zinc/30/68/73/596306873.db2.gz UWJIEWLMWIKVTJ-UXLLHSPISA-N 1 3 331.416 1.241 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870922605 596406678 /nfs/dbraw/zinc/40/66/78/596406678.db2.gz JYCTZKZVJMIONU-QAQDUYKDSA-N 1 3 346.475 1.112 20 0 EDADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000869777190 596628136 /nfs/dbraw/zinc/62/81/36/596628136.db2.gz BFVPKANKOVHWNP-JYJNAYRXSA-N 1 3 346.427 1.252 20 0 EDADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000869777190 596628139 /nfs/dbraw/zinc/62/81/39/596628139.db2.gz BFVPKANKOVHWNP-JYJNAYRXSA-N 1 3 346.427 1.252 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000868215780 596728222 /nfs/dbraw/zinc/72/82/22/596728222.db2.gz BPWDFOJQEFZEIP-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000868215780 596728224 /nfs/dbraw/zinc/72/82/24/596728224.db2.gz BPWDFOJQEFZEIP-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000868284212 596764543 /nfs/dbraw/zinc/76/45/43/596764543.db2.gz RIRLCSIXISAZCQ-QGZVFWFLSA-N 1 3 340.512 1.517 20 0 EDADHO CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000872297350 596872225 /nfs/dbraw/zinc/87/22/25/596872225.db2.gz LPAXCKFOBSDMQK-QGZVFWFLSA-N 1 3 330.476 1.894 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000874432706 597076725 /nfs/dbraw/zinc/07/67/25/597076725.db2.gz PPCLZBQJDTWHLU-SQNIBIBYSA-N 1 3 328.460 1.797 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2cccc3ncccc23)C1 ZINC000873044079 597169157 /nfs/dbraw/zinc/16/91/57/597169157.db2.gz BINGKYQWLOCICP-INIZCTEOSA-N 1 3 326.444 1.912 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](CCCNCc2cccc3ncccc23)C1 ZINC000873044079 597169159 /nfs/dbraw/zinc/16/91/59/597169159.db2.gz BINGKYQWLOCICP-INIZCTEOSA-N 1 3 326.444 1.912 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](CCCNCc2cccc3ncccc23)C1 ZINC000873044079 597169160 /nfs/dbraw/zinc/16/91/60/597169160.db2.gz BINGKYQWLOCICP-INIZCTEOSA-N 1 3 326.444 1.912 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC000876380217 597187327 /nfs/dbraw/zinc/18/73/27/597187327.db2.gz DQZBGWPGISLMRV-UHFFFAOYSA-N 1 3 349.435 1.168 20 0 EDADHO COCCC(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873212525 597229878 /nfs/dbraw/zinc/22/98/78/597229878.db2.gz NKNUOWFRUSAWKE-UHFFFAOYSA-N 1 3 337.489 1.511 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000873308306 597252474 /nfs/dbraw/zinc/25/24/74/597252474.db2.gz IFPNFRNSFYKSAQ-MNOVXSKESA-N 1 3 348.373 1.046 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876738919 597315929 /nfs/dbraw/zinc/31/59/29/597315929.db2.gz AMKPCIBEYVKORM-INIZCTEOSA-N 1 3 341.459 1.173 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876738919 597315932 /nfs/dbraw/zinc/31/59/32/597315932.db2.gz AMKPCIBEYVKORM-INIZCTEOSA-N 1 3 341.459 1.173 20 0 EDADHO O=C([C@H](F)[C@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000876932248 597389375 /nfs/dbraw/zinc/38/93/75/597389375.db2.gz HZJDTXFFVGVHKO-WNRNVDISSA-N 1 3 331.435 1.667 20 0 EDADHO CN(C)C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000877053252 597422859 /nfs/dbraw/zinc/42/28/59/597422859.db2.gz IGHVXCWSBNSGGY-UONOGXRCSA-N 1 3 347.290 1.601 20 0 EDADHO C[NH+](C)CC1(CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CCCC1 ZINC000875492895 597452012 /nfs/dbraw/zinc/45/20/12/597452012.db2.gz VHSWIHDAKRGMIL-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877206417 597461928 /nfs/dbraw/zinc/46/19/28/597461928.db2.gz HWZKNEKYXSKHAX-MRXNPFEDSA-N 1 3 344.463 1.366 20 0 EDADHO N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343030 597496470 /nfs/dbraw/zinc/49/64/70/597496470.db2.gz HZFHSIPKKHWRNU-MJGOQNOKSA-N 1 3 348.450 1.868 20 0 EDADHO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000877389625 597507647 /nfs/dbraw/zinc/50/76/47/597507647.db2.gz FFNSBZZHPQTXMH-LMMKCTJWSA-N 1 3 328.460 1.694 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825677 597725367 /nfs/dbraw/zinc/72/53/67/597725367.db2.gz KQFQIMWAANVEHU-MGPQQGTHSA-N 1 3 329.485 1.580 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825677 597725370 /nfs/dbraw/zinc/72/53/70/597725370.db2.gz KQFQIMWAANVEHU-MGPQQGTHSA-N 1 3 329.485 1.580 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439549 597747510 /nfs/dbraw/zinc/74/75/10/597747510.db2.gz UPXYTYPOOBBJGG-YHUYYLMFSA-N 1 3 335.448 1.345 20 0 EDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](CF)C2)C1 ZINC000880235991 597879264 /nfs/dbraw/zinc/87/92/64/597879264.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 1 3 329.460 1.141 20 0 EDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](CF)C2)C1 ZINC000880235991 597879265 /nfs/dbraw/zinc/87/92/65/597879265.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 1 3 329.460 1.141 20 0 EDADHO O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001031856551 699988793 /nfs/dbraw/zinc/98/87/93/699988793.db2.gz CACVJYYEUFMFFH-URSIVYNOSA-N 1 3 333.476 1.088 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1cnn(C)c1 ZINC000994260056 696672844 /nfs/dbraw/zinc/67/28/44/696672844.db2.gz XKELOSPBVWIFER-RDJZCZTQSA-N 1 3 345.491 1.028 20 0 EDADHO Cc1cccnc1CN1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411458 696837408 /nfs/dbraw/zinc/83/74/08/696837408.db2.gz UNEBZRIBBAGSGJ-IAGOWNOFSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411458 696837411 /nfs/dbraw/zinc/83/74/11/696837411.db2.gz UNEBZRIBBAGSGJ-IAGOWNOFSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCC2)[C@H]1C ZINC000994411458 696837416 /nfs/dbraw/zinc/83/74/16/696837416.db2.gz UNEBZRIBBAGSGJ-IAGOWNOFSA-N 1 3 330.476 1.955 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940110296 700223676 /nfs/dbraw/zinc/22/36/76/700223676.db2.gz WBGXORIKQQBTTF-MRXNPFEDSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2nccn2C)CC1 ZINC000940110296 700223680 /nfs/dbraw/zinc/22/36/80/700223680.db2.gz WBGXORIKQQBTTF-MRXNPFEDSA-N 1 3 347.507 1.764 20 0 EDADHO COc1cccc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939054647 699115428 /nfs/dbraw/zinc/11/54/28/699115428.db2.gz MNBPPXBYMFJHDQ-RHSMWYFYSA-N 1 3 346.475 1.369 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534245 701573896 /nfs/dbraw/zinc/57/38/96/701573896.db2.gz QLOVMHTUJIIBOB-IRXDYDNUSA-N 1 3 336.524 1.201 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534245 701573897 /nfs/dbraw/zinc/57/38/97/701573897.db2.gz QLOVMHTUJIIBOB-IRXDYDNUSA-N 1 3 336.524 1.201 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939136632 699222999 /nfs/dbraw/zinc/22/29/99/699222999.db2.gz ALVCDPCFGMKZNI-RDJZCZTQSA-N 1 3 347.507 1.131 20 0 EDADHO COc1cc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)ccn1 ZINC000939543276 699684410 /nfs/dbraw/zinc/68/44/10/699684410.db2.gz BUTCSLDNUJBUME-ZBFHGGJFSA-N 1 3 344.459 1.123 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941676879 701615678 /nfs/dbraw/zinc/61/56/78/701615678.db2.gz GKRUPDYGPLJSET-HOTGVXAUSA-N 1 3 334.508 1.098 20 0 EDADHO O=C(CN1CCCC1)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941669249 701623339 /nfs/dbraw/zinc/62/33/39/701623339.db2.gz WTLIYFLZXYQZDT-UHFFFAOYSA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)Cc1ccoc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995064981 700485964 /nfs/dbraw/zinc/48/59/64/700485964.db2.gz JJYFDUDMVUCELK-GXTWGEPZSA-N 1 3 347.419 1.413 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327956 700505301 /nfs/dbraw/zinc/50/53/01/700505301.db2.gz AWRQUFBUBXREQW-CVEARBPZSA-N 1 3 347.507 1.571 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327956 700505303 /nfs/dbraw/zinc/50/53/03/700505303.db2.gz AWRQUFBUBXREQW-CVEARBPZSA-N 1 3 347.507 1.571 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328960 700507772 /nfs/dbraw/zinc/50/77/72/700507772.db2.gz OWBXTFBEPRHBLO-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328960 700507776 /nfs/dbraw/zinc/50/77/76/700507776.db2.gz OWBXTFBEPRHBLO-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO COc1ccc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000940354110 700537491 /nfs/dbraw/zinc/53/74/91/700537491.db2.gz WUQGOCCECCNWRI-UHFFFAOYSA-N 1 3 343.431 1.527 20 0 EDADHO C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000940461637 700664869 /nfs/dbraw/zinc/66/48/69/700664869.db2.gz GLXHPTUAZLTVBN-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO COc1ccc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000940461770 700665177 /nfs/dbraw/zinc/66/51/77/700665177.db2.gz JYDVSADWCGKBKR-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975771 /nfs/dbraw/zinc/97/57/71/700975771.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 1 3 335.492 1.476 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975772 /nfs/dbraw/zinc/97/57/72/700975772.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 1 3 335.492 1.476 20 0 EDADHO Cc1nccnc1CN1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214783 701401056 /nfs/dbraw/zinc/40/10/56/701401056.db2.gz CKLISDLEGHJCIU-KRWDZBQOSA-N 1 3 345.491 1.598 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443724 701535507 /nfs/dbraw/zinc/53/55/07/701535507.db2.gz RLUBXERAMHPXAP-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443724 701535508 /nfs/dbraw/zinc/53/55/08/701535508.db2.gz RLUBXERAMHPXAP-QGZVFWFLSA-N 1 3 336.524 1.489 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC[C@@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889536 702229689 /nfs/dbraw/zinc/22/96/89/702229689.db2.gz WABGZDHZGFQKHO-CVEARBPZSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)N(C)C ZINC000995949205 702297652 /nfs/dbraw/zinc/29/76/52/702297652.db2.gz LXTPXFCQBHXOMM-SJORKVTESA-N 1 3 349.523 1.612 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC000999210106 706662962 /nfs/dbraw/zinc/66/29/62/706662962.db2.gz TZHACWCQHUSBDM-FGTMMUONSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cnc(C)nc3)C2)CC[N@H+]1C ZINC000999210106 706662964 /nfs/dbraw/zinc/66/29/64/706662964.db2.gz TZHACWCQHUSBDM-FGTMMUONSA-N 1 3 345.491 1.596 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000996001574 702381127 /nfs/dbraw/zinc/38/11/27/702381127.db2.gz ZPKHHBYOHNEMGQ-INIZCTEOSA-N 1 3 345.491 1.375 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000996247925 702650975 /nfs/dbraw/zinc/65/09/75/702650975.db2.gz NTITYGYLFLBKMK-HZPDHXFCSA-N 1 3 335.496 1.333 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300458 702692321 /nfs/dbraw/zinc/69/23/21/702692321.db2.gz MPFDWBIWXDPIIU-RDJZCZTQSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)N(C)C ZINC000996313851 702702129 /nfs/dbraw/zinc/70/21/29/702702129.db2.gz GFADQNNRMFGCGH-HOTGVXAUSA-N 1 3 348.491 1.052 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996354946 702732732 /nfs/dbraw/zinc/73/27/32/702732732.db2.gz JZBFMNVNAIARCV-CVEARBPZSA-N 1 3 334.464 1.738 20 0 EDADHO Cc1nc([C@H](C)N[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n[nH]1 ZINC000996518228 702853745 /nfs/dbraw/zinc/85/37/45/702853745.db2.gz CXIXJSOGSOZSDK-JSGCOSHPSA-N 1 3 346.479 1.097 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522027 702857376 /nfs/dbraw/zinc/85/73/76/702857376.db2.gz XLJDTTQYEVXIQN-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522027 702857379 /nfs/dbraw/zinc/85/73/79/702857379.db2.gz XLJDTTQYEVXIQN-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000996667058 702963878 /nfs/dbraw/zinc/96/38/78/702963878.db2.gz SCEYZKWBTJSTBV-INIZCTEOSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000996667058 702963879 /nfs/dbraw/zinc/96/38/79/702963879.db2.gz SCEYZKWBTJSTBV-INIZCTEOSA-N 1 3 347.507 1.479 20 0 EDADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1cnccn1 ZINC000996664738 702967012 /nfs/dbraw/zinc/96/70/12/702967012.db2.gz IIYAODJMHNOCOU-CQSZACIVSA-N 1 3 331.464 1.603 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027828 703050174 /nfs/dbraw/zinc/05/01/74/703050174.db2.gz ZHIVNAVAUUUMKO-SJLPKXTDSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996766273 703057855 /nfs/dbraw/zinc/05/78/55/703057855.db2.gz ZQYBINVZKXHOQP-SFHVURJKSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996766273 703057858 /nfs/dbraw/zinc/05/78/58/703057858.db2.gz ZQYBINVZKXHOQP-SFHVURJKSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000996867938 703140291 /nfs/dbraw/zinc/14/02/91/703140291.db2.gz KXAJIPBDVFURBG-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996995747 703252530 /nfs/dbraw/zinc/25/25/30/703252530.db2.gz QCDLDKHTIGIWOE-CQSZACIVSA-N 1 3 334.439 1.786 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)o1 ZINC000997000351 703257117 /nfs/dbraw/zinc/25/71/17/703257117.db2.gz PNFQOFSVSFKRRQ-ZDUSSCGKSA-N 1 3 334.464 1.856 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006473 703263948 /nfs/dbraw/zinc/26/39/48/703263948.db2.gz MDLPFWRBOVOZAX-QFBILLFUSA-N 1 3 345.487 1.642 20 0 EDADHO Cc1cccnc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997009028 703267245 /nfs/dbraw/zinc/26/72/45/703267245.db2.gz XGSUCNJUTMLPEV-HNNXBMFYSA-N 1 3 330.476 1.812 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC000997009141 703269709 /nfs/dbraw/zinc/26/97/09/703269709.db2.gz YHGKIOZHKSNDBO-INIZCTEOSA-N 1 3 347.507 1.368 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090957 703328519 /nfs/dbraw/zinc/32/85/19/703328519.db2.gz CBAGZOMMSUTRNR-MSOLQXFVSA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)n1 ZINC000997090957 703328520 /nfs/dbraw/zinc/32/85/20/703328520.db2.gz CBAGZOMMSUTRNR-MSOLQXFVSA-N 1 3 345.491 1.518 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000997307035 703565513 /nfs/dbraw/zinc/56/55/13/703565513.db2.gz MADGSLHSNBBALP-UHFFFAOYSA-N 1 3 332.448 1.267 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033069851 704098531 /nfs/dbraw/zinc/09/85/31/704098531.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 1 3 347.507 1.368 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCc2ccnn2C)C1 ZINC001033069851 704098535 /nfs/dbraw/zinc/09/85/35/704098535.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 1 3 347.507 1.368 20 0 EDADHO CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079003 704130855 /nfs/dbraw/zinc/13/08/55/704130855.db2.gz YZBIIHIZWYKQJP-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079003 704130856 /nfs/dbraw/zinc/13/08/56/704130856.db2.gz YZBIIHIZWYKQJP-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@H](C)CN1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079003 704130857 /nfs/dbraw/zinc/13/08/57/704130857.db2.gz YZBIIHIZWYKQJP-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2c(C)noc2C)CC1)N(C)C ZINC000997857088 704769799 /nfs/dbraw/zinc/76/97/99/704769799.db2.gz VXMXFXHUBZWPMD-QGZVFWFLSA-N 1 3 336.480 1.960 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997861940 704772099 /nfs/dbraw/zinc/77/20/99/704772099.db2.gz WZRYIRQDLMEPAC-SUMWQHHRSA-N 1 3 348.491 1.960 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997861940 704772100 /nfs/dbraw/zinc/77/21/00/704772100.db2.gz WZRYIRQDLMEPAC-SUMWQHHRSA-N 1 3 348.491 1.960 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029622 704956915 /nfs/dbraw/zinc/95/69/15/704956915.db2.gz UYWXUWDUCISWCU-MAUKXSAKSA-N 1 3 333.476 1.835 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029622 704956916 /nfs/dbraw/zinc/95/69/16/704956916.db2.gz UYWXUWDUCISWCU-MAUKXSAKSA-N 1 3 333.476 1.835 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998076559 705296233 /nfs/dbraw/zinc/29/62/33/705296233.db2.gz ACDVQJHOLUUFIU-CXAGYDPISA-N 1 3 334.464 1.509 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000998076559 705296236 /nfs/dbraw/zinc/29/62/36/705296236.db2.gz ACDVQJHOLUUFIU-CXAGYDPISA-N 1 3 334.464 1.509 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000998082512 705310419 /nfs/dbraw/zinc/31/04/19/705310419.db2.gz QDSUWWWRTJODMB-DYVFJYSZSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)on1 ZINC000998082512 705310422 /nfs/dbraw/zinc/31/04/22/705310422.db2.gz QDSUWWWRTJODMB-DYVFJYSZSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780521 706221662 /nfs/dbraw/zinc/22/16/62/706221662.db2.gz NYDVDFHXLCOMEP-JCYILVPMSA-N 1 3 332.448 1.404 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999355257 706844673 /nfs/dbraw/zinc/84/46/73/706844673.db2.gz TZHLYWJCGVPNNM-QZTJIDSGSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999355257 706844674 /nfs/dbraw/zinc/84/46/74/706844674.db2.gz TZHLYWJCGVPNNM-QZTJIDSGSA-N 1 3 347.507 1.764 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1)C1CCC1 ZINC000999362444 706875928 /nfs/dbraw/zinc/87/59/28/706875928.db2.gz AUAXXVRVTIQHSV-HNNXBMFYSA-N 1 3 333.480 1.028 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cn1 ZINC000999366022 706879996 /nfs/dbraw/zinc/87/99/96/706879996.db2.gz SQQDYWSVDPEAHG-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC000999369609 706883537 /nfs/dbraw/zinc/88/35/37/706883537.db2.gz JOJGQYXUEUQFLE-GJZGRUSLSA-N 1 3 329.435 1.953 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)n[nH]1 ZINC000999399572 706894253 /nfs/dbraw/zinc/89/42/53/706894253.db2.gz ILYZLTPXHNYWRJ-CABCVRRESA-N 1 3 334.468 1.068 20 0 EDADHO Cc1nc(CN[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n[nH]1 ZINC000999399572 706894254 /nfs/dbraw/zinc/89/42/54/706894254.db2.gz ILYZLTPXHNYWRJ-CABCVRRESA-N 1 3 334.468 1.068 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ncn1 ZINC000999405724 706914746 /nfs/dbraw/zinc/91/47/46/706914746.db2.gz GUXQXCBFBQEUGJ-UQPPLGOBSA-N 1 3 331.464 1.348 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ncn1 ZINC000999405724 706914749 /nfs/dbraw/zinc/91/47/49/706914749.db2.gz GUXQXCBFBQEUGJ-UQPPLGOBSA-N 1 3 331.464 1.348 20 0 EDADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999837561 707408396 /nfs/dbraw/zinc/40/83/96/707408396.db2.gz PMFMTXBFOMIJJP-WLYUNCDWSA-N 1 3 336.505 1.791 20 0 EDADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999837561 707408397 /nfs/dbraw/zinc/40/83/97/707408397.db2.gz PMFMTXBFOMIJJP-WLYUNCDWSA-N 1 3 336.505 1.791 20 0 EDADHO COC[C@H](C)N1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297757 707434138 /nfs/dbraw/zinc/43/41/38/707434138.db2.gz SYLXKAZZAXCNFU-WMZOPIPTSA-N 1 3 347.503 1.972 20 0 EDADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033475013 707964801 /nfs/dbraw/zinc/96/48/01/707964801.db2.gz NTMSSZPQYDYBDZ-KRWDZBQOSA-N 1 3 337.508 1.820 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1 ZINC001032801262 708082609 /nfs/dbraw/zinc/08/26/09/708082609.db2.gz NFNZPAKNOOJMCL-BZSNNMDCSA-N 1 3 335.492 1.574 20 0 EDADHO Cc1nn(C)cc1CN1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001791679 708306041 /nfs/dbraw/zinc/30/60/41/708306041.db2.gz AFEZXKKFEOBJOZ-UHFFFAOYSA-N 1 3 347.507 1.399 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831890 708357563 /nfs/dbraw/zinc/35/75/63/708357563.db2.gz BFXZTJUHYBTEMO-LPHOPBHVSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831890 708357567 /nfs/dbraw/zinc/35/75/67/708357567.db2.gz BFXZTJUHYBTEMO-LPHOPBHVSA-N 1 3 344.503 1.916 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)c1 ZINC001033685028 708498209 /nfs/dbraw/zinc/49/82/09/708498209.db2.gz RLICTDVRPDGCDF-MJGOQNOKSA-N 1 3 345.487 1.931 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C[C@H]3CCOC3)C2)c1 ZINC001033685028 708498211 /nfs/dbraw/zinc/49/82/11/708498211.db2.gz RLICTDVRPDGCDF-MJGOQNOKSA-N 1 3 345.487 1.931 20 0 EDADHO COC(=O)COc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000922099008 709675449 /nfs/dbraw/zinc/67/54/49/709675449.db2.gz NDIZTSRCVIZFKP-UHFFFAOYSA-N 1 3 349.475 1.354 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCCN(CCOC)C2)C1 ZINC001034369766 709855887 /nfs/dbraw/zinc/85/58/87/709855887.db2.gz UZKXCUHCRVUFEI-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCCN(CCOC)C2)C1 ZINC001034369766 709855891 /nfs/dbraw/zinc/85/58/91/709855891.db2.gz UZKXCUHCRVUFEI-IRXDYDNUSA-N 1 3 325.497 1.726 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)C1 ZINC001034397290 709938083 /nfs/dbraw/zinc/93/80/83/709938083.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)C1 ZINC001034397290 709938084 /nfs/dbraw/zinc/93/80/84/709938084.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 1 3 343.487 1.552 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642160 710317888 /nfs/dbraw/zinc/31/78/88/710317888.db2.gz ADBQYMFQWIXNBB-JFIYKMOQSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001034644783 710321205 /nfs/dbraw/zinc/32/12/05/710321205.db2.gz NRMTYCAIJRYMNN-BZUAXINKSA-N 1 3 325.497 1.649 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034646150 710322295 /nfs/dbraw/zinc/32/22/95/710322295.db2.gz DDQXOBIPUUHNTM-BRSBDYLESA-N 1 3 337.508 1.913 20 0 EDADHO COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001003739394 710520000 /nfs/dbraw/zinc/52/00/00/710520000.db2.gz CQSRTSJFSWNJSY-DOTOQJQBSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736581 710924133 /nfs/dbraw/zinc/92/41/33/710924133.db2.gz XFCQBYUWNKPFIF-DJIMGWMZSA-N 1 3 333.480 1.421 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@H](C)O)CC1)N1CCCCCC1 ZINC001034749536 710956815 /nfs/dbraw/zinc/95/68/15/710956815.db2.gz LJFGBDFNZVARHZ-YVSFHVDLSA-N 1 3 325.497 1.649 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)C1 ZINC001034830775 711236817 /nfs/dbraw/zinc/23/68/17/711236817.db2.gz DIMSFUPTRAIETC-IBGZPJMESA-N 1 3 338.455 1.939 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NCc2ccc(CNCc3cccnc3)cc2)C1 ZINC001034830775 711236822 /nfs/dbraw/zinc/23/68/22/711236822.db2.gz DIMSFUPTRAIETC-IBGZPJMESA-N 1 3 338.455 1.939 20 0 EDADHO Cc1nn(C)cc1CNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034940393 711443949 /nfs/dbraw/zinc/44/39/49/711443949.db2.gz COKUVVCSOGQELS-MSOLQXFVSA-N 1 3 345.491 1.151 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869859 /nfs/dbraw/zinc/86/98/59/711869859.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 1 3 347.503 1.573 20 0 EDADHO CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869861 /nfs/dbraw/zinc/86/98/61/711869861.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 1 3 347.503 1.573 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033126423 711889603 /nfs/dbraw/zinc/88/96/03/711889603.db2.gz NBFIZOMGWHWGCY-MSOLQXFVSA-N 1 3 337.508 1.820 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033126423 711889604 /nfs/dbraw/zinc/88/96/04/711889604.db2.gz NBFIZOMGWHWGCY-MSOLQXFVSA-N 1 3 337.508 1.820 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)N(C)C ZINC001004538376 711944067 /nfs/dbraw/zinc/94/40/67/711944067.db2.gz CUCJIYTYASORBB-ZWKOTPCHSA-N 1 3 339.524 1.658 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)N(C)C ZINC001004538376 711944069 /nfs/dbraw/zinc/94/40/69/711944069.db2.gz CUCJIYTYASORBB-ZWKOTPCHSA-N 1 3 339.524 1.658 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC000354004003 282213619 /nfs/dbraw/zinc/21/36/19/282213619.db2.gz WMSZMZZVVKTSOB-BDXSIMOUSA-N 1 3 335.492 1.571 20 0 EDADHO Cc1csc(=O)n1CCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333839743 539654913 /nfs/dbraw/zinc/65/49/13/539654913.db2.gz KYSHJWUGMJLJAS-CABCVRRESA-N 1 3 325.478 1.437 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377536845 291049617 /nfs/dbraw/zinc/04/96/17/291049617.db2.gz XNQUNQFPUJJNCL-UIBIWLFHSA-N 1 3 345.443 1.028 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377536845 291049620 /nfs/dbraw/zinc/04/96/20/291049620.db2.gz XNQUNQFPUJJNCL-UIBIWLFHSA-N 1 3 345.443 1.028 20 0 EDADHO CCOCCO[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797149 138133261 /nfs/dbraw/zinc/13/32/61/138133261.db2.gz QSONQYYFWWONPH-OAHLLOKOSA-N 1 3 341.496 1.103 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074011133 138222623 /nfs/dbraw/zinc/22/26/23/138222623.db2.gz WDSSWHUKSDVJHT-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)CC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000563704667 306345667 /nfs/dbraw/zinc/34/56/67/306345667.db2.gz ANDCNJAJMKDARG-KRWDZBQOSA-N 1 3 327.513 1.170 20 0 EDADHO COCC[NH+]1CCC(NCc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187163803 236134434 /nfs/dbraw/zinc/13/44/34/236134434.db2.gz UAFDPVKKIHPGHG-UHFFFAOYSA-N 1 3 331.460 1.796 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000563874667 306350948 /nfs/dbraw/zinc/35/09/48/306350948.db2.gz YLDFNMOGLOJPCK-ZWKOTPCHSA-N 1 3 330.476 1.936 20 0 EDADHO CN(C)CCN(CCN(C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000564553298 306360434 /nfs/dbraw/zinc/36/04/34/306360434.db2.gz OYJAOYPWWVYZDX-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367031 /nfs/dbraw/zinc/36/70/31/306367031.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 1 3 341.540 1.701 20 0 EDADHO CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564847266 306367032 /nfs/dbraw/zinc/36/70/32/306367032.db2.gz LCWZNTMSPWAXSY-HCXYKTFWSA-N 1 3 341.540 1.701 20 0 EDADHO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000565351212 306382067 /nfs/dbraw/zinc/38/20/67/306382067.db2.gz XBRTVGPXYABFKS-KDOFPFPSSA-N 1 3 331.460 1.651 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000131140417 223208754 /nfs/dbraw/zinc/20/87/54/223208754.db2.gz CMHFJNCXZDDKIW-GOSISDBHSA-N 1 3 330.476 1.539 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000072597185 216279483 /nfs/dbraw/zinc/27/94/83/216279483.db2.gz VJJSGBUITZSEMM-UHFFFAOYSA-N 1 3 345.487 1.554 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073131305 216353771 /nfs/dbraw/zinc/35/37/71/216353771.db2.gz UIERXNRLGVOIJT-UHFFFAOYSA-N 1 3 349.475 1.468 20 0 EDADHO CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414488169 304118755 /nfs/dbraw/zinc/11/87/55/304118755.db2.gz TXSMCNHONWVSQX-UHFFFAOYSA-N 1 3 347.503 1.972 20 0 EDADHO COc1cc(C)nc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414489404 304119826 /nfs/dbraw/zinc/11/98/26/304119826.db2.gz VTVXRRHLHBADEO-UHFFFAOYSA-N 1 3 348.491 1.285 20 0 EDADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702414 304129978 /nfs/dbraw/zinc/12/99/78/304129978.db2.gz WXUZLFIWKKPHQI-BZUAXINKSA-N 1 3 339.480 1.108 20 0 EDADHO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706149 304130392 /nfs/dbraw/zinc/13/03/92/304130392.db2.gz KYONIAOVVPCKKY-RVKKMQEKSA-N 1 3 331.460 1.508 20 0 EDADHO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706149 304130393 /nfs/dbraw/zinc/13/03/93/304130393.db2.gz KYONIAOVVPCKKY-RVKKMQEKSA-N 1 3 331.460 1.508 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCCC1 ZINC000414737935 304135435 /nfs/dbraw/zinc/13/54/35/304135435.db2.gz OQEZDZICIYFLKT-QGZVFWFLSA-N 1 3 346.475 1.581 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414842965 304146842 /nfs/dbraw/zinc/14/68/42/304146842.db2.gz ZWNFQODNXPYAJP-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO COc1cc(CN2CC[C@H](N[C@@H](C)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077843 304158203 /nfs/dbraw/zinc/15/82/03/304158203.db2.gz FQPRNGKIZQWXAG-XIRDDKMYSA-N 1 3 333.476 1.866 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000415093787 304159305 /nfs/dbraw/zinc/15/93/05/304159305.db2.gz VYPUSQYYJVFHMP-HNNXBMFYSA-N 1 3 327.432 1.159 20 0 EDADHO [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000415115088 304160942 /nfs/dbraw/zinc/16/09/42/304160942.db2.gz TZSNVFFWDUXFPQ-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124134 304162084 /nfs/dbraw/zinc/16/20/84/304162084.db2.gz QKSJMGUTXHWAIV-KRWDZBQOSA-N 1 3 330.476 1.795 20 0 EDADHO Cc1nc2ccccn2c1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136428 304163100 /nfs/dbraw/zinc/16/31/00/304163100.db2.gz HJJDGYSVQNQEEQ-WBVHZDCISA-N 1 3 326.444 1.843 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156537 304167086 /nfs/dbraw/zinc/16/70/86/304167086.db2.gz ZUVVKKLJBBUJGX-IAGOWNOFSA-N 1 3 344.459 1.430 20 0 EDADHO COCCNCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237171611 139042904 /nfs/dbraw/zinc/04/29/04/139042904.db2.gz XZBSTTBNWSMJEW-AYHJJNSGSA-N 1 3 331.460 1.534 20 0 EDADHO COCCNCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237171611 139042905 /nfs/dbraw/zinc/04/29/05/139042905.db2.gz XZBSTTBNWSMJEW-AYHJJNSGSA-N 1 3 331.460 1.534 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000567382536 306449856 /nfs/dbraw/zinc/44/98/56/306449856.db2.gz JMWDYBLJPOGUQV-IAGOWNOFSA-N 1 3 331.464 1.508 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605173 139055375 /nfs/dbraw/zinc/05/53/75/139055375.db2.gz JRKNGZRJVYDUEU-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237665420 139057489 /nfs/dbraw/zinc/05/74/89/139057489.db2.gz MVDBUYIEIBTSCH-IYBDPMFKSA-N 1 3 325.497 1.772 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3C[NH3+])CC2)c1 ZINC000237718587 139058526 /nfs/dbraw/zinc/05/85/26/139058526.db2.gz KMADUVJPEXMIHY-SFHVURJKSA-N 1 3 330.476 1.457 20 0 EDADHO NC[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237799081 139060680 /nfs/dbraw/zinc/06/06/80/139060680.db2.gz WNLQBJVXOMISNM-IBGZPJMESA-N 1 3 345.487 1.832 20 0 EDADHO CC[NH+]1CCN(CCNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000111660843 220177828 /nfs/dbraw/zinc/17/78/28/220177828.db2.gz CGIOHSUCUPAGQH-LJQANCHMSA-N 1 3 344.503 1.405 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000237955338 139064965 /nfs/dbraw/zinc/06/49/65/139064965.db2.gz GTGIYOKHSSKOGQ-MRXNPFEDSA-N 1 3 330.432 1.203 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237954936 139064976 /nfs/dbraw/zinc/06/49/76/139064976.db2.gz XISITNRCYUTZBJ-UHFFFAOYSA-N 1 3 344.459 1.450 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H](N2CCCC2)C1 ZINC000362808963 296268573 /nfs/dbraw/zinc/26/85/73/296268573.db2.gz NADRUFBHTMLIBP-CVEARBPZSA-N 1 3 331.464 1.508 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000348323761 284690794 /nfs/dbraw/zinc/69/07/94/284690794.db2.gz WYMIVTDSVGSYOE-YESZJQIVSA-N 1 3 345.553 1.758 20 0 EDADHO CCOC[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](COCC)C3)COC2)C1 ZINC000248418505 139162935 /nfs/dbraw/zinc/16/29/35/139162935.db2.gz KJKHTWFPJCJBKE-QZTJIDSGSA-N 1 3 340.508 1.720 20 0 EDADHO CCOC[C@@H]1CCN(CC2(C[N@H+]3CC[C@@H](COCC)C3)COC2)C1 ZINC000248418505 139162936 /nfs/dbraw/zinc/16/29/36/139162936.db2.gz KJKHTWFPJCJBKE-QZTJIDSGSA-N 1 3 340.508 1.720 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415415383 304217467 /nfs/dbraw/zinc/21/74/67/304217467.db2.gz HYTQLUGJKKTDCA-AWEZNQCLSA-N 1 3 332.448 1.069 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000261604355 139210050 /nfs/dbraw/zinc/21/00/50/139210050.db2.gz ACZBOORPMUZDAY-IIDMSEBBSA-N 1 3 325.497 1.754 20 0 EDADHO CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000261751802 139223024 /nfs/dbraw/zinc/22/30/24/139223024.db2.gz HIXBPXJYYHVVOY-QGZVFWFLSA-N 1 3 344.503 1.937 20 0 EDADHO [NH3+]C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1 ZINC000261952531 139239721 /nfs/dbraw/zinc/23/97/21/139239721.db2.gz ZETAKMAQTQMBMX-UHFFFAOYSA-N 1 3 341.521 1.362 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000262064779 139247929 /nfs/dbraw/zinc/24/79/29/139247929.db2.gz OISDOGRMOXBDJB-DZGCQCFKSA-N 1 3 325.478 1.496 20 0 EDADHO COCC1(CNC(=O)Nc2ccccc2CCN(C)C)CC[NH2+]CC1 ZINC000415553288 251007891 /nfs/dbraw/zinc/00/78/91/251007891.db2.gz ALZSVVBRLXSWKB-UHFFFAOYSA-N 1 3 348.491 1.928 20 0 EDADHO CNCc1cccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000415945126 251036454 /nfs/dbraw/zinc/03/64/54/251036454.db2.gz QTMNBEBRNDUXHH-UHFFFAOYSA-N 1 3 333.480 1.554 20 0 EDADHO Cc1cccc(OCCN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262210598 139260363 /nfs/dbraw/zinc/26/03/63/139260363.db2.gz LOQRMDCREOLGRG-PKOBYXMFSA-N 1 3 345.487 1.954 20 0 EDADHO CS[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H]1N(C)C ZINC000415949295 251039457 /nfs/dbraw/zinc/03/94/57/251039457.db2.gz VUKCRERKJRADRL-HUUCEWRRSA-N 1 3 338.477 1.533 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1CN1CCN(CC)CC1 ZINC000416996845 251123444 /nfs/dbraw/zinc/12/34/44/251123444.db2.gz VHPMARWBLVHIDV-SFHVURJKSA-N 1 3 347.507 1.361 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000417518867 251182211 /nfs/dbraw/zinc/18/22/11/251182211.db2.gz TXXUXIWQKCQZBD-NJAFHUGGSA-N 1 3 348.491 1.685 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262379730 139274594 /nfs/dbraw/zinc/27/45/94/139274594.db2.gz WXZZWENIPFAOBV-UHFFFAOYSA-N 1 3 341.459 1.971 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000417591380 251199191 /nfs/dbraw/zinc/19/91/91/251199191.db2.gz IIRUVFPDTATIPS-INIZCTEOSA-N 1 3 332.448 1.322 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000417751093 251254632 /nfs/dbraw/zinc/25/46/32/251254632.db2.gz LBFXOAZZESKFHB-HZPDHXFCSA-N 1 3 327.517 1.077 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078427 251320944 /nfs/dbraw/zinc/32/09/44/251320944.db2.gz VVMVWRGSSCEZMS-RDJZCZTQSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112215 251326522 /nfs/dbraw/zinc/32/65/22/251326522.db2.gz IADUGTFBVKZCPC-OAHLLOKOSA-N 1 3 326.485 1.448 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111283 251326871 /nfs/dbraw/zinc/32/68/71/251326871.db2.gz GRLPPHNJZPWCMR-RDJZCZTQSA-N 1 3 340.512 1.694 20 0 EDADHO C[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112128 251327017 /nfs/dbraw/zinc/32/70/17/251327017.db2.gz HUYJUCGYOMSUBH-XHSDSOJGSA-N 1 3 326.485 1.114 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122822 251334813 /nfs/dbraw/zinc/33/48/13/251334813.db2.gz YITFDDUZAPPRFK-WBVHZDCISA-N 1 3 326.485 1.176 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418437182 251370111 /nfs/dbraw/zinc/37/01/11/251370111.db2.gz CQEVTLASJHLGGQ-MJGOQNOKSA-N 1 3 348.491 1.440 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418715056 251392965 /nfs/dbraw/zinc/39/29/65/251392965.db2.gz ZDHJMSBBZQXQMK-RLFYNMQTSA-N 1 3 334.464 1.001 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418727541 251399731 /nfs/dbraw/zinc/39/97/31/251399731.db2.gz MJODCJVMUGJYMD-SJLPKXTDSA-N 1 3 334.464 1.002 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418534588 251377715 /nfs/dbraw/zinc/37/77/15/251377715.db2.gz XLYUXYYRLOUIOG-LBPRGKRZSA-N 1 3 328.407 1.775 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418688289 251386924 /nfs/dbraw/zinc/38/69/24/251386924.db2.gz MYBWHLOHOYYUAI-BPQIPLTHSA-N 1 3 348.491 1.296 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653210 139293373 /nfs/dbraw/zinc/29/33/73/139293373.db2.gz SNNFXLOEGQXOBH-OAGGEKHMSA-N 1 3 344.459 1.450 20 0 EDADHO CCC[C@@H](N)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707251 139297930 /nfs/dbraw/zinc/29/79/30/139297930.db2.gz NFZAEFJQWPAADV-DLBZAZTESA-N 1 3 346.475 1.128 20 0 EDADHO CCC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707251 139297931 /nfs/dbraw/zinc/29/79/31/139297931.db2.gz NFZAEFJQWPAADV-DLBZAZTESA-N 1 3 346.475 1.128 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1CN(C)C ZINC000415594407 304235110 /nfs/dbraw/zinc/23/51/10/304235110.db2.gz KQYBLTPOCNVCPY-BHYGNILZSA-N 1 3 344.459 1.191 20 0 EDADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000422883608 252009561 /nfs/dbraw/zinc/00/95/61/252009561.db2.gz CNLJPSUNMGCJRC-APHBMKBZSA-N 1 3 338.448 1.597 20 0 EDADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)c(OC)c1 ZINC000422883608 252009565 /nfs/dbraw/zinc/00/95/65/252009565.db2.gz CNLJPSUNMGCJRC-APHBMKBZSA-N 1 3 338.448 1.597 20 0 EDADHO C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@H](N)c1ccccc1 ZINC000424035176 252121418 /nfs/dbraw/zinc/12/14/18/252121418.db2.gz DVGRDGWKAKCMED-BGTYHANMSA-N 1 3 343.471 1.550 20 0 EDADHO CC[NH+]1CCC(N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000360118255 285186180 /nfs/dbraw/zinc/18/61/80/285186180.db2.gz HPBYGLAMQGXBIC-UHFFFAOYSA-N 1 3 337.508 1.964 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000487524652 255031649 /nfs/dbraw/zinc/03/16/49/255031649.db2.gz XXAIFOJDMSHPSE-QUCCMNQESA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524652 255031650 /nfs/dbraw/zinc/03/16/50/255031650.db2.gz XXAIFOJDMSHPSE-QUCCMNQESA-N 1 3 344.503 1.897 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740397 255260167 /nfs/dbraw/zinc/26/01/67/255260167.db2.gz PGVLWTMRVMWRGS-GJZGRUSLSA-N 1 3 334.464 1.511 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415800898 304274437 /nfs/dbraw/zinc/27/44/37/304274437.db2.gz DVXRSWGIGBNCAM-ZBFHGGJFSA-N 1 3 346.475 1.629 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCn2ccnc21 ZINC000370020791 285280612 /nfs/dbraw/zinc/28/06/12/285280612.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 1 3 347.507 1.635 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCn2ccnc21 ZINC000370020791 285280613 /nfs/dbraw/zinc/28/06/13/285280613.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 1 3 347.507 1.635 20 0 EDADHO COC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000119299947 221288475 /nfs/dbraw/zinc/28/84/75/221288475.db2.gz XUNXVMGIZLBKQH-QGZVFWFLSA-N 1 3 338.496 1.269 20 0 EDADHO O=C(C[C@@H]1CNCCO1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000296036750 258012252 /nfs/dbraw/zinc/01/22/52/258012252.db2.gz ARFYJTGNZNZKAB-HZPDHXFCSA-N 1 3 349.500 1.597 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1CN(C)C ZINC000415870213 304283089 /nfs/dbraw/zinc/28/30/89/304283089.db2.gz OMTJGFFNCQGMLK-HZPDHXFCSA-N 1 3 344.459 1.063 20 0 EDADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc2c(c1)CNCC2 ZINC000415886405 304284569 /nfs/dbraw/zinc/28/45/69/304284569.db2.gz UVFIJFMMJCNDKV-GOSISDBHSA-N 1 3 346.475 1.691 20 0 EDADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccc2c(c1)CNCC2 ZINC000415886405 304284571 /nfs/dbraw/zinc/28/45/71/304284571.db2.gz UVFIJFMMJCNDKV-GOSISDBHSA-N 1 3 346.475 1.691 20 0 EDADHO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000153137273 533355773 /nfs/dbraw/zinc/35/57/73/533355773.db2.gz XFVIGPWZHRIUNM-OAHLLOKOSA-N 1 3 349.475 1.560 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333786886 141381597 /nfs/dbraw/zinc/38/15/97/141381597.db2.gz LUMIHRRVDJMQLH-GJZGRUSLSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](CC1CCOCC1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000345165247 143060086 /nfs/dbraw/zinc/06/00/86/143060086.db2.gz MJQGLMONYZISHE-INIZCTEOSA-N 1 3 339.524 1.829 20 0 EDADHO C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345682030 143120877 /nfs/dbraw/zinc/12/08/77/143120877.db2.gz AHOMEPNFNWKRJJ-CQSZACIVSA-N 1 3 329.391 1.268 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000347034253 143274310 /nfs/dbraw/zinc/27/43/10/143274310.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 1 3 332.492 1.338 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347043101 143275635 /nfs/dbraw/zinc/27/56/35/143275635.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347043101 143275636 /nfs/dbraw/zinc/27/56/36/143275636.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000347043732 143275719 /nfs/dbraw/zinc/27/57/19/143275719.db2.gz LTMXDLQRTOIRBI-LSDHHAIUSA-N 1 3 340.512 1.212 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N(C)C1 ZINC000347314419 143307240 /nfs/dbraw/zinc/30/72/40/143307240.db2.gz RCYZNEVNARIXJS-OAGGEKHMSA-N 1 3 342.528 1.713 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](OC)C[C@@H]1CN1CCCC1 ZINC000347983591 143387308 /nfs/dbraw/zinc/38/73/08/143387308.db2.gz BRSJBOVCRMQQBN-OAGGEKHMSA-N 1 3 325.497 1.865 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416842963 304350916 /nfs/dbraw/zinc/35/09/16/304350916.db2.gz OAGUCLWEAIFCMV-PKOBYXMFSA-N 1 3 330.476 1.554 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000416843584 304350919 /nfs/dbraw/zinc/35/09/19/304350919.db2.gz PEFBCZMQJXMZCV-CRAIPNDOSA-N 1 3 332.492 1.928 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416975739 304359438 /nfs/dbraw/zinc/35/94/38/304359438.db2.gz ZVUWVCMZKKKDMR-SJPCQFCGSA-N 1 3 346.475 1.709 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416977108 304359590 /nfs/dbraw/zinc/35/95/90/304359590.db2.gz SFYVCPUPPNZJKG-NVXWUHKLSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000416977167 304359882 /nfs/dbraw/zinc/35/98/82/304359882.db2.gz SRNJSNXURXUSIA-OAHLLOKOSA-N 1 3 334.464 1.426 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267487 150191855 /nfs/dbraw/zinc/19/18/55/150191855.db2.gz DISGRMZXPKREQB-HOTGVXAUSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)CN1 ZINC000417038062 304364286 /nfs/dbraw/zinc/36/42/86/304364286.db2.gz UJOKFCUYJFSDHH-HZPDHXFCSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)CN1 ZINC000417038062 304364287 /nfs/dbraw/zinc/36/42/87/304364287.db2.gz UJOKFCUYJFSDHH-HZPDHXFCSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000417040334 304364828 /nfs/dbraw/zinc/36/48/28/304364828.db2.gz KOQOWFFBSVDTSA-IYBDPMFKSA-N 1 3 338.496 1.128 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCOC3(CNC3)C2)C1 ZINC000417040334 304364830 /nfs/dbraw/zinc/36/48/30/304364830.db2.gz KOQOWFFBSVDTSA-IYBDPMFKSA-N 1 3 338.496 1.128 20 0 EDADHO CCCCN(C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357580859 151074091 /nfs/dbraw/zinc/07/40/91/151074091.db2.gz UHZDEINNSOECKM-UHFFFAOYSA-N 1 3 327.494 1.758 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358125600 151280277 /nfs/dbraw/zinc/28/02/77/151280277.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 1 3 340.512 1.610 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000358125600 151280279 /nfs/dbraw/zinc/28/02/79/151280279.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 1 3 340.512 1.610 20 0 EDADHO CN1CC[C@](O)(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000358260690 151320207 /nfs/dbraw/zinc/32/02/07/151320207.db2.gz VPYUMNZJXFBLNY-IBGZPJMESA-N 1 3 335.467 1.489 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000358288486 151328097 /nfs/dbraw/zinc/32/80/97/151328097.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000358288486 151328099 /nfs/dbraw/zinc/32/80/99/151328099.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501538 151397415 /nfs/dbraw/zinc/39/74/15/151397415.db2.gz AGUFFYDFCZHKNU-ZDUSSCGKSA-N 1 3 348.422 1.938 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360782326 152202819 /nfs/dbraw/zinc/20/28/19/152202819.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 1 3 341.544 1.386 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)CCCN1CCN(C)CC1 ZINC000360782326 152202823 /nfs/dbraw/zinc/20/28/23/152202823.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 1 3 341.544 1.386 20 0 EDADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000360958044 152263076 /nfs/dbraw/zinc/26/30/76/152263076.db2.gz OCWSCMSJUOVQEP-CVEARBPZSA-N 1 3 333.542 1.806 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250398 152345346 /nfs/dbraw/zinc/34/53/46/152345346.db2.gz JBNVDWWJKYZORV-OCCSQVGLSA-N 1 3 331.420 1.737 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000361250398 152345347 /nfs/dbraw/zinc/34/53/47/152345347.db2.gz JBNVDWWJKYZORV-OCCSQVGLSA-N 1 3 331.420 1.737 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000363731178 153041464 /nfs/dbraw/zinc/04/14/64/153041464.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 1 3 340.512 1.203 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(CC(C)(C)O)CC2)C1 ZINC000363731178 153041465 /nfs/dbraw/zinc/04/14/65/153041465.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 1 3 340.512 1.203 20 0 EDADHO O[C@H]1CN(Cc2ccccc2C[N@@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000364441408 153238769 /nfs/dbraw/zinc/23/87/69/153238769.db2.gz DXZQISCSQYHKIH-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1CN(Cc2ccccc2C[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000364441408 153238770 /nfs/dbraw/zinc/23/87/70/153238770.db2.gz DXZQISCSQYHKIH-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C1 ZINC000417198696 304383741 /nfs/dbraw/zinc/38/37/41/304383741.db2.gz RQLIYHLFQXZSKL-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO [NH3+][C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)C1CCOCC1 ZINC000367184189 154033379 /nfs/dbraw/zinc/03/33/79/154033379.db2.gz FQUXDUXNHMRZOA-MRXNPFEDSA-N 1 3 337.489 1.583 20 0 EDADHO COCCN1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417300073 304391051 /nfs/dbraw/zinc/39/10/51/304391051.db2.gz SVFDJSZUUSPCTI-UHFFFAOYSA-N 1 3 340.512 1.648 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1OCCN(C)C ZINC000417373432 304395191 /nfs/dbraw/zinc/39/51/91/304395191.db2.gz YBBXEFZNTUUJSV-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447704 155039391 /nfs/dbraw/zinc/03/93/91/155039391.db2.gz KZZATYYADDUJIZ-PMPSAXMXSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561893 155087594 /nfs/dbraw/zinc/08/75/94/155087594.db2.gz QCBLATYAFJEEBK-USXIJHARSA-N 1 3 331.464 1.506 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417447062 304396728 /nfs/dbraw/zinc/39/67/28/304396728.db2.gz OEYZYIBFJHGJAC-KRWDZBQOSA-N 1 3 336.480 1.687 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000371607203 156027553 /nfs/dbraw/zinc/02/75/53/156027553.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000371607203 156027555 /nfs/dbraw/zinc/02/75/55/156027555.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000374743857 157384349 /nfs/dbraw/zinc/38/43/49/157384349.db2.gz PAWJUCHALFJLPM-INIZCTEOSA-N 1 3 346.475 1.769 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccn1 ZINC000374743857 157384352 /nfs/dbraw/zinc/38/43/52/157384352.db2.gz PAWJUCHALFJLPM-INIZCTEOSA-N 1 3 346.475 1.769 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378116850 158082574 /nfs/dbraw/zinc/08/25/74/158082574.db2.gz CVRSBLGYCHMJAX-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000378116850 158082578 /nfs/dbraw/zinc/08/25/78/158082578.db2.gz CVRSBLGYCHMJAX-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H]1CCN(C(=O)NCc2ccnc(OCCN(C)C)c2)[C@H](C[NH3+])C1 ZINC000417952002 304437551 /nfs/dbraw/zinc/43/75/51/304437551.db2.gz NVIWQUXDENOEIJ-HOCLYGCPSA-N 1 3 349.479 1.291 20 0 EDADHO CC(C)([NH3+])CC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000372105097 162462607 /nfs/dbraw/zinc/46/26/07/162462607.db2.gz GPJAHYXPDMMAQH-QGZVFWFLSA-N 1 3 333.476 1.676 20 0 EDADHO C[C@@H](NC(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1=CCN(C)CC1 ZINC000376877058 287005451 /nfs/dbraw/zinc/00/54/51/287005451.db2.gz PEDLIMBJENTOPI-MRXNPFEDSA-N 1 3 345.491 1.749 20 0 EDADHO COCCNCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000417006099 292561900 /nfs/dbraw/zinc/56/19/00/292561900.db2.gz JLKPHZQHAPRJNM-INIZCTEOSA-N 1 3 328.501 1.278 20 0 EDADHO C[C@@H](Cc1ccc(O)cc1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077787637 287290435 /nfs/dbraw/zinc/29/04/35/287290435.db2.gz BQGAQSZSBNUWSG-HNNXBMFYSA-N 1 3 336.480 1.458 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000090552990 287331078 /nfs/dbraw/zinc/33/10/78/287331078.db2.gz MQUKJHWJZBFNTJ-UHFFFAOYSA-N 1 3 335.423 1.553 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418329637 304481193 /nfs/dbraw/zinc/48/11/93/304481193.db2.gz OUXHLUWRNURHHO-MSOLQXFVSA-N 1 3 345.491 1.592 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418333816 304481864 /nfs/dbraw/zinc/48/18/64/304481864.db2.gz VPMAVHXNQSKDEK-IXDOHACOSA-N 1 3 331.464 1.249 20 0 EDADHO CC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000665761552 452335109 /nfs/dbraw/zinc/33/51/09/452335109.db2.gz HPQBDERJEBYJFN-RDJZCZTQSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@@]1(C)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000665761552 452335117 /nfs/dbraw/zinc/33/51/17/452335117.db2.gz HPQBDERJEBYJFN-RDJZCZTQSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000275402134 268337566 /nfs/dbraw/zinc/33/75/66/268337566.db2.gz IYLFPXJRXIGYTN-INIZCTEOSA-N 1 3 344.459 1.036 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277195925 268526783 /nfs/dbraw/zinc/52/67/83/268526783.db2.gz MECWTRUQEXGKGG-OALUTQOASA-N 1 3 346.519 1.822 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189598 273076099 /nfs/dbraw/zinc/07/60/99/273076099.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189598 273076100 /nfs/dbraw/zinc/07/61/00/273076100.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000284591426 274255935 /nfs/dbraw/zinc/25/59/35/274255935.db2.gz MDXKKLSRARROKU-BHIYHBOVSA-N 1 3 345.487 1.544 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000284591426 274255938 /nfs/dbraw/zinc/25/59/38/274255938.db2.gz MDXKKLSRARROKU-BHIYHBOVSA-N 1 3 345.487 1.544 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637689 276361021 /nfs/dbraw/zinc/36/10/21/276361021.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637689 276361022 /nfs/dbraw/zinc/36/10/22/276361022.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396509 /nfs/dbraw/zinc/39/65/09/276396509.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 1 3 349.519 1.963 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396513 /nfs/dbraw/zinc/39/65/13/276396513.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 1 3 349.519 1.963 20 0 EDADHO CC(C)(CNC(=O)N[C@@H](C[NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417085888 277301063 /nfs/dbraw/zinc/30/10/63/277301063.db2.gz DGLSVFAYPFKRBH-KRWDZBQOSA-N 1 3 330.476 1.860 20 0 EDADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355255126 277388308 /nfs/dbraw/zinc/38/83/08/277388308.db2.gz PDIYMXWGSHZPAK-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)N1CCCCC1 ZINC000360888290 277721147 /nfs/dbraw/zinc/72/11/47/277721147.db2.gz ZNBBVOOLHJUAND-SFHVURJKSA-N 1 3 338.540 1.639 20 0 EDADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCCN2C2CCOCC2)CC1 ZINC000424045068 278351082 /nfs/dbraw/zinc/35/10/82/278351082.db2.gz STYMWPMLZFXEFO-ROUUACIJSA-N 1 3 349.519 1.866 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333136296 279104590 /nfs/dbraw/zinc/10/45/90/279104590.db2.gz CJNKSVJOLPCYIE-ABFRBSLYSA-N 1 3 338.496 1.146 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363367103 279127546 /nfs/dbraw/zinc/12/75/46/279127546.db2.gz BQTNRKJUPPPFCJ-PMPSAXMXSA-N 1 3 326.485 1.125 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000354863216 289106785 /nfs/dbraw/zinc/10/67/85/289106785.db2.gz SNOSLDGTAISLLQ-LJQANCHMSA-N 1 3 346.519 1.679 20 0 EDADHO CN(C)C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000418756056 289188970 /nfs/dbraw/zinc/18/89/70/289188970.db2.gz CLGHPEHXHVREHE-LSDHHAIUSA-N 1 3 340.855 1.230 20 0 EDADHO CN(C)[C@H]1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000291853955 289197852 /nfs/dbraw/zinc/19/78/52/289197852.db2.gz OIUVDXMQWCDPMU-INIZCTEOSA-N 1 3 349.479 1.258 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000418756053 289207873 /nfs/dbraw/zinc/20/78/73/289207873.db2.gz CLGHPEHXHVREHE-GJZGRUSLSA-N 1 3 340.855 1.230 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@@H](C)O1 ZINC000370595921 296993015 /nfs/dbraw/zinc/99/30/15/296993015.db2.gz AUWASVYPQLOVEN-IAGOWNOFSA-N 1 3 349.519 1.963 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC000348002958 293939135 /nfs/dbraw/zinc/93/91/35/293939135.db2.gz KRCCTVNBJYYMPM-KZNAEPCWSA-N 1 3 335.492 1.573 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CCN(C)CC1 ZINC000360694196 295577560 /nfs/dbraw/zinc/57/75/60/295577560.db2.gz MAARIYCMEBCIII-KGLIPLIRSA-N 1 3 328.526 1.405 20 0 EDADHO C[C@H](CNC(=O)CC1(N2CCOCC2)CCCC1)C[NH+]1CCCC1 ZINC000364217306 298685511 /nfs/dbraw/zinc/68/55/11/298685511.db2.gz LORRMADZLLCAAV-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418687718 300219442 /nfs/dbraw/zinc/21/94/42/300219442.db2.gz RYSKHTBACFFKAR-DZJNRPSUSA-N 1 3 330.476 1.724 20 0 EDADHO Cc1cccc2nc(CN(C)CCC[N@@H+](C)CCN(C)C)cc(=O)n12 ZINC000344059680 302070122 /nfs/dbraw/zinc/07/01/22/302070122.db2.gz LRCNROXAANLQDE-UHFFFAOYSA-N 1 3 345.491 1.318 20 0 EDADHO Cc1cccc2nc(CN(C)CCC[N@H+](C)CCN(C)C)cc(=O)n12 ZINC000344059680 302070125 /nfs/dbraw/zinc/07/01/25/302070125.db2.gz LRCNROXAANLQDE-UHFFFAOYSA-N 1 3 345.491 1.318 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000419652344 447321310 /nfs/dbraw/zinc/32/13/10/447321310.db2.gz PQDHIOGULJCHGZ-ZIAGYGMSSA-N 1 3 334.464 1.038 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000651194771 453346805 /nfs/dbraw/zinc/34/68/05/453346805.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 1 3 341.544 1.290 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000651194771 453346811 /nfs/dbraw/zinc/34/68/11/453346811.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 1 3 341.544 1.290 20 0 EDADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CNCCC1(F)F ZINC000417703248 303765522 /nfs/dbraw/zinc/76/55/22/303765522.db2.gz JWDBPEYEVXNKIT-AWEZNQCLSA-N 1 3 332.439 1.939 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423756320 304908931 /nfs/dbraw/zinc/90/89/31/304908931.db2.gz JLTSUDVGOSGGNY-KRWDZBQOSA-N 1 3 347.459 1.120 20 0 EDADHO N[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)C[C@H]1c1cccc(F)c1 ZINC000424006439 304924557 /nfs/dbraw/zinc/92/45/57/304924557.db2.gz DPEZBGXXHIXMKV-SJJHQCBESA-N 1 3 335.423 1.365 20 0 EDADHO NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000430623341 305059908 /nfs/dbraw/zinc/05/99/08/305059908.db2.gz MUKYRFLBYSHSRS-NSHDSACASA-N 1 3 338.839 1.438 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433458963 305109874 /nfs/dbraw/zinc/10/98/74/305109874.db2.gz VUKOPPGIDWRAKV-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO CC(C)N1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870542 305114258 /nfs/dbraw/zinc/11/42/58/305114258.db2.gz RCEZBTCEOOECQZ-RHSMWYFYSA-N 1 3 339.505 1.755 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000435241490 305137817 /nfs/dbraw/zinc/13/78/17/305137817.db2.gz VBDQMWTUJJDQBR-LJQANCHMSA-N 1 3 342.487 1.795 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000435385841 305139506 /nfs/dbraw/zinc/13/95/06/305139506.db2.gz RSRZCTNXTOLKRO-GOSISDBHSA-N 1 3 332.492 1.378 20 0 EDADHO C[NH2+]CCCN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148963 /nfs/dbraw/zinc/14/89/63/305148963.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 1 3 331.508 1.525 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440512374 305208962 /nfs/dbraw/zinc/20/89/62/305208962.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440512374 305208963 /nfs/dbraw/zinc/20/89/63/305208963.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 1 3 345.487 1.614 20 0 EDADHO O=C(CN1CCC[C@@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281447 305220089 /nfs/dbraw/zinc/22/00/89/305220089.db2.gz FIXQGPGPMUWDDV-HZPDHXFCSA-N 1 3 335.492 1.478 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285066 305228127 /nfs/dbraw/zinc/22/81/27/305228127.db2.gz PIAVFSSREMAUPD-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285066 305228128 /nfs/dbraw/zinc/22/81/28/305228128.db2.gz PIAVFSSREMAUPD-SJORKVTESA-N 1 3 340.512 1.469 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414911037 447353571 /nfs/dbraw/zinc/35/35/71/447353571.db2.gz SLTHUGFBMUCASL-AWEZNQCLSA-N 1 3 344.459 1.419 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414911037 447353577 /nfs/dbraw/zinc/35/35/77/447353577.db2.gz SLTHUGFBMUCASL-AWEZNQCLSA-N 1 3 344.459 1.419 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000495075403 305635216 /nfs/dbraw/zinc/63/52/16/305635216.db2.gz QSRZTYPATHRDAQ-KRWDZBQOSA-N 1 3 345.491 1.241 20 0 EDADHO COc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1O ZINC000515001426 305711990 /nfs/dbraw/zinc/71/19/90/305711990.db2.gz WGITXOFVGQOTPS-UHFFFAOYSA-N 1 3 349.475 1.287 20 0 EDADHO CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422120987 447359121 /nfs/dbraw/zinc/35/91/21/447359121.db2.gz QQQHYRSHJITONL-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO O=c1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccn12 ZINC000530238162 305935491 /nfs/dbraw/zinc/93/54/91/305935491.db2.gz KGHHLBYSFVBQHW-KRWDZBQOSA-N 1 3 342.443 1.285 20 0 EDADHO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955324 447367040 /nfs/dbraw/zinc/36/70/40/447367040.db2.gz YZMDTAHZSXXVKY-MDZRGWNJSA-N 1 3 349.519 1.961 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000541893931 306049104 /nfs/dbraw/zinc/04/91/04/306049104.db2.gz LVOIKLBKRPQALW-HNNXBMFYSA-N 1 3 338.496 1.171 20 0 EDADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccon1 ZINC000543475972 306064131 /nfs/dbraw/zinc/06/41/31/306064131.db2.gz SYZCZKRWOFICGN-ZDUSSCGKSA-N 1 3 335.452 1.593 20 0 EDADHO COc1ccc2c(c1)[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)CC2 ZINC000555309584 306201136 /nfs/dbraw/zinc/20/11/36/306201136.db2.gz LFVAJFGBLFSEBK-QGZVFWFLSA-N 1 3 333.476 1.677 20 0 EDADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232971 306226998 /nfs/dbraw/zinc/22/69/98/306226998.db2.gz MXTVFWZBXJMUHS-NYTXWWLZSA-N 1 3 349.504 1.133 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000414943268 447368097 /nfs/dbraw/zinc/36/80/97/447368097.db2.gz FFOSMKDSZQUMAV-HZPDHXFCSA-N 1 3 332.448 1.334 20 0 EDADHO C[NH2+]CCN(C)C(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000419732237 447380093 /nfs/dbraw/zinc/38/00/93/447380093.db2.gz SEJSCQXJYPYHAB-OAHLLOKOSA-N 1 3 346.475 1.006 20 0 EDADHO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)C1=O ZINC000378478559 447433564 /nfs/dbraw/zinc/43/35/64/447433564.db2.gz XFPWHUBSLKYKGC-FZKQIMNGSA-N 1 3 336.480 1.559 20 0 EDADHO COCCN(C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000098034473 441148420 /nfs/dbraw/zinc/14/84/20/441148420.db2.gz AVHJCNOZUBTURJ-BRWVUGGUSA-N 1 3 342.528 1.620 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000103211533 441177253 /nfs/dbraw/zinc/17/72/53/441177253.db2.gz CTIGKAPRAKEDSI-UHFFFAOYSA-N 1 3 329.391 1.853 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000103212323 441178326 /nfs/dbraw/zinc/17/83/26/441178326.db2.gz WOYHRRLQNDXDFU-UHFFFAOYSA-N 1 3 344.459 1.836 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080653184 441187209 /nfs/dbraw/zinc/18/72/09/441187209.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080653184 441187213 /nfs/dbraw/zinc/18/72/13/441187213.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 1 3 336.524 1.251 20 0 EDADHO CCN1CCN(CCCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105134998 441237074 /nfs/dbraw/zinc/23/70/74/441237074.db2.gz CAYFJEJUOWCPFE-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO Cc1[nH]c2ccccc2c1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000104533190 441197323 /nfs/dbraw/zinc/19/73/23/441197323.db2.gz IWXQIPACJCBSMP-UHFFFAOYSA-N 1 3 330.476 1.971 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000073444635 441318029 /nfs/dbraw/zinc/31/80/29/441318029.db2.gz FYXGZHCKMZFFLS-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074065052 441388465 /nfs/dbraw/zinc/38/84/65/441388465.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074065052 441388466 /nfs/dbraw/zinc/38/84/66/441388466.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)CSC(F)(F)F)CC2)CC1 ZINC000050798644 441389452 /nfs/dbraw/zinc/38/94/52/441389452.db2.gz WLRBQADZKQJWEL-UHFFFAOYSA-N 1 3 339.427 1.914 20 0 EDADHO CC(C)CO[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797208 441389469 /nfs/dbraw/zinc/38/94/69/441389469.db2.gz QAYUZVZCRILERL-HNNXBMFYSA-N 1 3 325.497 1.722 20 0 EDADHO Cc1cc(C)n([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000050797012 441389830 /nfs/dbraw/zinc/38/98/30/441389830.db2.gz QNCQPRYABMOSBY-INIZCTEOSA-N 1 3 347.507 1.736 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425806 441439692 /nfs/dbraw/zinc/43/96/92/441439692.db2.gz QHOSLFOXAAILBF-HZPDHXFCSA-N 1 3 342.528 1.715 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541119 441462083 /nfs/dbraw/zinc/46/20/83/441462083.db2.gz BIASYLBSYWYETI-MOPGFXCFSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541119 441462086 /nfs/dbraw/zinc/46/20/86/441462086.db2.gz BIASYLBSYWYETI-MOPGFXCFSA-N 1 3 344.503 1.943 20 0 EDADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000173617301 441805673 /nfs/dbraw/zinc/80/56/73/441805673.db2.gz OEWRVAOWTKTNTQ-CQSZACIVSA-N 1 3 338.496 1.996 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000173731554 441830965 /nfs/dbraw/zinc/83/09/65/441830965.db2.gz QMSXNMISQKOOGS-MRXNPFEDSA-N 1 3 346.475 1.487 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000173731554 441830969 /nfs/dbraw/zinc/83/09/69/441830969.db2.gz QMSXNMISQKOOGS-MRXNPFEDSA-N 1 3 346.475 1.487 20 0 EDADHO C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCCC1 ZINC000173812342 441844740 /nfs/dbraw/zinc/84/47/40/441844740.db2.gz IZFYNYMAGBJKPV-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO COCCCN(C)CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174291688 441910342 /nfs/dbraw/zinc/91/03/42/441910342.db2.gz GTKOKQZKHLRRSD-MRXNPFEDSA-N 1 3 326.485 1.082 20 0 EDADHO COC1(C(=O)N2CCCN(CC3CCCCC3)CC2)CC[NH2+]CC1 ZINC000165653237 442210357 /nfs/dbraw/zinc/21/03/57/442210357.db2.gz ODRAYKPJALHIEP-UHFFFAOYSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000167415415 442221010 /nfs/dbraw/zinc/22/10/10/442221010.db2.gz UFNXOCUIHXYPLA-IBGZPJMESA-N 1 3 331.460 1.259 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651366 442280337 /nfs/dbraw/zinc/28/03/37/442280337.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 1 3 345.491 1.193 20 0 EDADHO C[C@H]1C[C@H](NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000128651366 442280341 /nfs/dbraw/zinc/28/03/41/442280341.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 1 3 345.491 1.193 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000171195204 442325480 /nfs/dbraw/zinc/32/54/80/442325480.db2.gz LDBIJEUEISQPHQ-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO COc1cccc2c1CC[C@@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000154653179 442350005 /nfs/dbraw/zinc/35/00/05/442350005.db2.gz JTHCPLUXBULFNZ-KRWDZBQOSA-N 1 3 348.491 1.817 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCc2ccccc21 ZINC000154957736 442366864 /nfs/dbraw/zinc/36/68/64/442366864.db2.gz BPKRCMGUBHHEIL-QGZVFWFLSA-N 1 3 332.492 1.851 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000178874979 442511462 /nfs/dbraw/zinc/51/14/62/442511462.db2.gz AEMVRLTXDSNFSB-LJQANCHMSA-N 1 3 344.503 1.453 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000192940526 442699654 /nfs/dbraw/zinc/69/96/54/442699654.db2.gz CJDWZOZSFJTAFR-CQSZACIVSA-N 1 3 325.478 1.861 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056454 442706083 /nfs/dbraw/zinc/70/60/83/442706083.db2.gz SXZBAXGVBKPRGB-VQIMIIECSA-N 1 3 333.476 1.897 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N(C)CCCN2CCN(C)CC2)CC1 ZINC000182203991 442745140 /nfs/dbraw/zinc/74/51/40/442745140.db2.gz DDGOOQXQQKSOMW-UHFFFAOYSA-N 1 3 339.528 1.138 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182516080 442779483 /nfs/dbraw/zinc/77/94/83/442779483.db2.gz DKVUWGWGSLSOFI-UHFFFAOYSA-N 1 3 347.503 1.983 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523154 442808792 /nfs/dbraw/zinc/80/87/92/442808792.db2.gz IGWJEYZUALGGOD-MSOLQXFVSA-N 1 3 348.491 1.618 20 0 EDADHO COCCN1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000195138782 442988322 /nfs/dbraw/zinc/98/83/22/442988322.db2.gz ZWFMCCLVXXFBRN-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO C[C@@H]([NH2+]C1(CNC(=O)CNC2CC2)CCOCC1)c1ccccc1 ZINC000237401196 443170759 /nfs/dbraw/zinc/17/07/59/443170759.db2.gz BKGYBMDKFQUTIO-OAHLLOKOSA-N 1 3 331.460 1.755 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000268949880 443157239 /nfs/dbraw/zinc/15/72/39/443157239.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C)CCN1C ZINC000268949880 443157242 /nfs/dbraw/zinc/15/72/42/443157242.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CN(C)CCN1C ZINC000268949880 443157245 /nfs/dbraw/zinc/15/72/45/443157245.db2.gz VBLRGLLGWMOUSI-HOJAQTOUSA-N 1 3 330.520 1.732 20 0 EDADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268975835 443163222 /nfs/dbraw/zinc/16/32/22/443163222.db2.gz JEGUQQLOTXCLTP-AWEZNQCLSA-N 1 3 335.448 1.459 20 0 EDADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194013 319319141 /nfs/dbraw/zinc/31/91/41/319319141.db2.gz UHIIBYUHJBVXFL-RDGPPVDQSA-N 1 3 341.459 1.424 20 0 EDADHO O[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194013 319319143 /nfs/dbraw/zinc/31/91/43/319319143.db2.gz UHIIBYUHJBVXFL-RDGPPVDQSA-N 1 3 341.459 1.424 20 0 EDADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCSCC1 ZINC000414206253 319320023 /nfs/dbraw/zinc/32/00/23/319320023.db2.gz YBKQBHJJFKZMCY-MRXNPFEDSA-N 1 3 341.565 1.904 20 0 EDADHO CC[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccccc1C ZINC000415082322 319345716 /nfs/dbraw/zinc/34/57/16/319345716.db2.gz OEYWYCKJRIRUFM-DLBZAZTESA-N 1 3 333.476 1.939 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415686721 319363927 /nfs/dbraw/zinc/36/39/27/319363927.db2.gz IWMNZYXLZGWDQS-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418913651 319531715 /nfs/dbraw/zinc/53/17/15/319531715.db2.gz GSNGLORASYYYSN-DAYGRLMNSA-N 1 3 340.512 1.247 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309476 319763258 /nfs/dbraw/zinc/76/32/58/319763258.db2.gz LKWGSAGGMJGJJC-ZWKOTPCHSA-N 1 3 341.459 1.840 20 0 EDADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396673 319771258 /nfs/dbraw/zinc/77/12/58/319771258.db2.gz UCVBOTXXRQDYNH-XHDPSFHLSA-N 1 3 345.365 1.902 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCSC1 ZINC000440261606 320066835 /nfs/dbraw/zinc/06/68/35/320066835.db2.gz UIHIEJZICPFEQI-NVXWUHKLSA-N 1 3 325.522 1.947 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCSC1 ZINC000440261606 320066836 /nfs/dbraw/zinc/06/68/36/320066836.db2.gz UIHIEJZICPFEQI-NVXWUHKLSA-N 1 3 325.522 1.947 20 0 EDADHO CCN1C[C@@H](NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000449516151 320193468 /nfs/dbraw/zinc/19/34/68/320193468.db2.gz FAMUCHVKKICXHU-KRWDZBQOSA-N 1 3 344.503 1.927 20 0 EDADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccnc1 ZINC000531439265 320660648 /nfs/dbraw/zinc/66/06/48/320660648.db2.gz SMJLOHNHLZHIBK-GOSISDBHSA-N 1 3 349.523 1.956 20 0 EDADHO CN1CCC(CC(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000293501487 444035814 /nfs/dbraw/zinc/03/58/14/444035814.db2.gz SNWCFDIXBKJDSU-UHFFFAOYSA-N 1 3 348.491 1.760 20 0 EDADHO O=C(NCC1=CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000557113784 320999890 /nfs/dbraw/zinc/99/98/90/320999890.db2.gz VSNICGHBOKGEOK-UHFFFAOYSA-N 1 3 342.487 1.912 20 0 EDADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000562818992 321079060 /nfs/dbraw/zinc/07/90/60/321079060.db2.gz XEPBCNNDVLZBKS-FVQHAEBGSA-N 1 3 328.460 1.558 20 0 EDADHO C[C@@H](c1ccccc1)[C@@H](O)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000562993529 321086461 /nfs/dbraw/zinc/08/64/61/321086461.db2.gz IMXZPTQUVIWTOS-LPHOPBHVSA-N 1 3 347.503 1.683 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563212969 321100756 /nfs/dbraw/zinc/10/07/56/321100756.db2.gz HZDVVVAWQAYIGZ-KRWDZBQOSA-N 1 3 346.519 1.452 20 0 EDADHO CN(C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000564349070 321127496 /nfs/dbraw/zinc/12/74/96/321127496.db2.gz KBZOVWLXWLEVAY-UHFFFAOYSA-N 1 3 329.448 1.653 20 0 EDADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)Nc1cccc(Cl)c1 ZINC000569971553 321332756 /nfs/dbraw/zinc/33/27/56/321332756.db2.gz GHZUCKXXARYXHE-OAHLLOKOSA-N 1 3 325.840 1.715 20 0 EDADHO COc1cc(N[C@H]2CCCN(CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570909 321348957 /nfs/dbraw/zinc/34/89/57/321348957.db2.gz NXAFCUIJMUEQCJ-INIZCTEOSA-N 1 3 348.491 1.485 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000289838371 444209957 /nfs/dbraw/zinc/20/99/57/444209957.db2.gz AVHMEJKTMIPCKK-CHWSQXEVSA-N 1 3 339.461 1.282 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000297367693 444284444 /nfs/dbraw/zinc/28/44/44/444284444.db2.gz LBRPQLPDAYVDER-HNNXBMFYSA-N 1 3 340.497 1.004 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851135 444292680 /nfs/dbraw/zinc/29/26/80/444292680.db2.gz OLABSKSGTLRVBE-UYAOXDASSA-N 1 3 345.487 1.641 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000323320938 444342624 /nfs/dbraw/zinc/34/26/24/444342624.db2.gz TXQCZFGEUSXCMU-LDDOYCOJSA-N 1 3 325.497 1.611 20 0 EDADHO O=c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc(Cl)cn12 ZINC000323759718 444346021 /nfs/dbraw/zinc/34/60/21/444346021.db2.gz AAIKTRWEQBBLRG-BETUJISGSA-N 1 3 332.835 1.779 20 0 EDADHO CC(C)Oc1ccc2nccc(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2c1 ZINC000578668429 321813321 /nfs/dbraw/zinc/81/33/21/321813321.db2.gz BISHYFROYSMHSN-CJNGLKHVSA-N 1 3 340.427 1.770 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)c1ccccc1CC1CC[NH2+]CC1 ZINC000580172485 322017768 /nfs/dbraw/zinc/01/77/68/322017768.db2.gz UDHZYECLRVHJNC-INIZCTEOSA-N 1 3 337.414 1.956 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC[C@@H](C)O)CC2)CC1 ZINC000580228325 322026092 /nfs/dbraw/zinc/02/60/92/322026092.db2.gz ZORUMDKTYDOUNF-OAHLLOKOSA-N 1 3 325.497 1.412 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC[C@H](C)O)CC2)CC1 ZINC000580228324 322026243 /nfs/dbraw/zinc/02/62/43/322026243.db2.gz ZORUMDKTYDOUNF-HNNXBMFYSA-N 1 3 325.497 1.412 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCO1 ZINC000580539100 322063505 /nfs/dbraw/zinc/06/35/05/322063505.db2.gz IPGYSQJRSTVQGT-ROUUACIJSA-N 1 3 346.475 1.583 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H]3OC)CC2)CC1 ZINC000580724684 322088325 /nfs/dbraw/zinc/08/83/25/322088325.db2.gz HQCZUWQGKYJVBH-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000581306151 322161824 /nfs/dbraw/zinc/16/18/24/322161824.db2.gz SGBXBMLHFHAVML-SFHVURJKSA-N 1 3 349.519 1.659 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000581380229 322171347 /nfs/dbraw/zinc/17/13/47/322171347.db2.gz MEGYNPKGCISWRR-SJORKVTESA-N 1 3 339.505 1.874 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478099 322181826 /nfs/dbraw/zinc/18/18/26/322181826.db2.gz DRRTZMXTPCYCEB-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO COC[C@]1(CNC(=O)N2CCc3ccccc3[C@H]2CN)CCC[NH2+]1 ZINC000581487545 322183657 /nfs/dbraw/zinc/18/36/57/322183657.db2.gz USFLBMMMKZHTEV-SJLPKXTDSA-N 1 3 332.448 1.023 20 0 EDADHO COC(=O)[C@](C)(O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000343709103 444535217 /nfs/dbraw/zinc/53/52/17/444535217.db2.gz CCEAXPRAAJBMTC-GOSISDBHSA-N 1 3 335.448 1.544 20 0 EDADHO COC(=O)[C@](C)(O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000343709103 444535221 /nfs/dbraw/zinc/53/52/21/444535221.db2.gz CCEAXPRAAJBMTC-GOSISDBHSA-N 1 3 335.448 1.544 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000323 444624548 /nfs/dbraw/zinc/62/45/48/444624548.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000323 444624551 /nfs/dbraw/zinc/62/45/51/444624551.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 1 3 345.487 1.736 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)[C@H]2C1 ZINC000333306139 444655349 /nfs/dbraw/zinc/65/53/49/444655349.db2.gz KYCQTUXCSVDBFT-IFIJOSMWSA-N 1 3 329.448 1.456 20 0 EDADHO CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938359 444680720 /nfs/dbraw/zinc/68/07/20/444680720.db2.gz QFLAQANUAPEGDF-SQNIBIBYSA-N 1 3 336.524 1.344 20 0 EDADHO CC(C)N1CCC[C@H]([N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1=O ZINC000343938359 444680722 /nfs/dbraw/zinc/68/07/22/444680722.db2.gz QFLAQANUAPEGDF-SQNIBIBYSA-N 1 3 336.524 1.344 20 0 EDADHO CN1CC[C@@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623822 444686608 /nfs/dbraw/zinc/68/66/08/444686608.db2.gz ZYBOOPVOCPVTBF-KAPMFFAGSA-N 1 3 346.519 1.877 20 0 EDADHO CN(C)CCN(C)CCC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000344028204 444738076 /nfs/dbraw/zinc/73/80/76/444738076.db2.gz MIRDTBONLPJFHE-UHFFFAOYSA-N 1 3 335.492 1.816 20 0 EDADHO CN(C)CCN(C)CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000344028204 444738078 /nfs/dbraw/zinc/73/80/78/444738078.db2.gz MIRDTBONLPJFHE-UHFFFAOYSA-N 1 3 335.492 1.816 20 0 EDADHO C[C@@H](C(=O)N(C)C1CCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344033803 444741778 /nfs/dbraw/zinc/74/17/78/444741778.db2.gz QRSIPGNAYCNFMN-KRWDZBQOSA-N 1 3 340.556 1.981 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000344039052 444744441 /nfs/dbraw/zinc/74/44/41/444744441.db2.gz AVJRVTUSPUPULA-OKZBNKHCSA-N 1 3 347.459 1.026 20 0 EDADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000344045029 444747473 /nfs/dbraw/zinc/74/74/73/444747473.db2.gz XZPIARMXNASZQN-KSZLIROESA-N 1 3 340.556 1.695 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341274041 444757908 /nfs/dbraw/zinc/75/79/08/444757908.db2.gz LFCNAYXXPPXCLJ-QGZVFWFLSA-N 1 3 331.464 1.479 20 0 EDADHO O=C(NCCNc1ccncc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341274041 444757912 /nfs/dbraw/zinc/75/79/12/444757912.db2.gz LFCNAYXXPPXCLJ-QGZVFWFLSA-N 1 3 331.464 1.479 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342695795 444819686 /nfs/dbraw/zinc/81/96/86/444819686.db2.gz QADSAUXYWBTWDD-QLFBSQMISA-N 1 3 327.469 1.141 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342695795 444819688 /nfs/dbraw/zinc/81/96/88/444819688.db2.gz QADSAUXYWBTWDD-QLFBSQMISA-N 1 3 327.469 1.141 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000336878483 444825023 /nfs/dbraw/zinc/82/50/23/444825023.db2.gz FQAVWYNPXYKQHH-YKTARERQSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000336878483 444825027 /nfs/dbraw/zinc/82/50/27/444825027.db2.gz FQAVWYNPXYKQHH-YKTARERQSA-N 1 3 337.508 1.900 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000342762078 444853150 /nfs/dbraw/zinc/85/31/50/444853150.db2.gz XRSVHEOOCGXESH-OAHLLOKOSA-N 1 3 327.469 1.141 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047091 /nfs/dbraw/zinc/04/70/91/445047091.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCO1 ZINC000337357922 445047093 /nfs/dbraw/zinc/04/70/93/445047093.db2.gz CYMLIDUADAGXMT-NEWSRXKRSA-N 1 3 332.492 1.727 20 0 EDADHO COc1cc(C)c(C[C@@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399974 445063017 /nfs/dbraw/zinc/06/30/17/445063017.db2.gz QUFHOSBSIZOSBJ-NVXWUHKLSA-N 1 3 336.476 1.990 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000348363227 445267277 /nfs/dbraw/zinc/26/72/77/445267277.db2.gz DGPYCBCQKRQOAA-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000348108160 445271179 /nfs/dbraw/zinc/27/11/79/445271179.db2.gz JNVLPRWAZKZVQG-QBPKDAKJSA-N 1 3 338.496 1.364 20 0 EDADHO COc1cc(CNC(=O)[C@]2(C)CCC[NH2+]C2)ccc1OCCN(C)C ZINC000353511941 445635968 /nfs/dbraw/zinc/63/59/68/445635968.db2.gz WCOIJKYOQLADHE-LJQANCHMSA-N 1 3 349.475 1.642 20 0 EDADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576328 445663479 /nfs/dbraw/zinc/66/34/79/445663479.db2.gz FPBAIGUQXOEAIA-WBVHZDCISA-N 1 3 346.475 1.840 20 0 EDADHO CCCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576328 445663482 /nfs/dbraw/zinc/66/34/82/445663482.db2.gz FPBAIGUQXOEAIA-WBVHZDCISA-N 1 3 346.475 1.840 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705988 /nfs/dbraw/zinc/70/59/88/445705988.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 1 3 338.496 1.080 20 0 EDADHO COCCCN(C)CCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705993 /nfs/dbraw/zinc/70/59/93/445705993.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 1 3 338.496 1.080 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000363229473 445732433 /nfs/dbraw/zinc/73/24/33/445732433.db2.gz DWZCMVARUGWIHD-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000363229473 445732437 /nfs/dbraw/zinc/73/24/37/445732437.db2.gz DWZCMVARUGWIHD-KRWDZBQOSA-N 1 3 337.508 1.870 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356378800 445761111 /nfs/dbraw/zinc/76/11/11/445761111.db2.gz BKTFHWRDDGHMBX-HZPDHXFCSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356453056 445797823 /nfs/dbraw/zinc/79/78/23/445797823.db2.gz NUPADBURPOSMEW-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000356453056 445797825 /nfs/dbraw/zinc/79/78/25/445797825.db2.gz NUPADBURPOSMEW-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000363556823 445857269 /nfs/dbraw/zinc/85/72/69/445857269.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CCCOC)CC1 ZINC000363556823 445857273 /nfs/dbraw/zinc/85/72/73/445857273.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 1 3 328.501 1.471 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000361739722 445907916 /nfs/dbraw/zinc/90/79/16/445907916.db2.gz YCQZZGFIQODWRN-MSOLQXFVSA-N 1 3 342.487 1.795 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000372898882 445910094 /nfs/dbraw/zinc/91/00/94/445910094.db2.gz XANBZKPYNLOKGR-SQGPQFPESA-N 1 3 345.487 1.897 20 0 EDADHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000366108670 446017521 /nfs/dbraw/zinc/01/75/21/446017521.db2.gz MSYOKRZJAQLOBA-ZWKOTPCHSA-N 1 3 327.513 1.264 20 0 EDADHO CCCCOC[C@H](O)CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000366108670 446017526 /nfs/dbraw/zinc/01/75/26/446017526.db2.gz MSYOKRZJAQLOBA-ZWKOTPCHSA-N 1 3 327.513 1.264 20 0 EDADHO CCn1ccnc(N2CCC(NC3CC[NH+](C(C)C)CC3)CC2)c1=O ZINC000365107262 446030668 /nfs/dbraw/zinc/03/06/68/446030668.db2.gz GKTLRPQWOGHYIX-UHFFFAOYSA-N 1 3 347.507 1.694 20 0 EDADHO CN(CCO[C@H]1CCCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000373119435 446041502 /nfs/dbraw/zinc/04/15/02/446041502.db2.gz YQDRUCYJSGNWDF-ROUUACIJSA-N 1 3 325.497 1.630 20 0 EDADHO CN(CCO[C@H]1CCCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000373119435 446041506 /nfs/dbraw/zinc/04/15/06/446041506.db2.gz YQDRUCYJSGNWDF-ROUUACIJSA-N 1 3 325.497 1.630 20 0 EDADHO Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000356874461 446088310 /nfs/dbraw/zinc/08/83/10/446088310.db2.gz QGXNZCRGWPIHEK-RCCFBDPRSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000356874461 446088312 /nfs/dbraw/zinc/08/83/12/446088312.db2.gz QGXNZCRGWPIHEK-RCCFBDPRSA-N 1 3 325.460 1.858 20 0 EDADHO Cn1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000356874461 446088317 /nfs/dbraw/zinc/08/83/17/446088317.db2.gz QGXNZCRGWPIHEK-RCCFBDPRSA-N 1 3 325.460 1.858 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000359280169 446115489 /nfs/dbraw/zinc/11/54/89/446115489.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000359280169 446115491 /nfs/dbraw/zinc/11/54/91/446115491.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 1 3 340.512 1.070 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000359338536 446158828 /nfs/dbraw/zinc/15/88/28/446158828.db2.gz BXVMFYAYPRBEKL-RCCFBDPRSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000359338536 446158835 /nfs/dbraw/zinc/15/88/35/446158835.db2.gz BXVMFYAYPRBEKL-RCCFBDPRSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CCC([NH+]2CCC(CCNC(=O)C3(N)CCCC3)CC2)CC1 ZINC000366325275 446152156 /nfs/dbraw/zinc/15/21/56/446152156.db2.gz PFNOSNAOSDIXOS-UHFFFAOYSA-N 1 3 336.524 1.570 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@@H]4CCCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000370503526 446308650 /nfs/dbraw/zinc/30/86/50/446308650.db2.gz UQZHJMIDOGZWJD-ULQDDVLXSA-N 1 3 347.507 1.870 20 0 EDADHO CCc1nc(CN2C[C@@H]3CN(CC[C@@H]4CCCC[N@H+]4C)C[C@H]3C2)no1 ZINC000370503526 446308651 /nfs/dbraw/zinc/30/86/51/446308651.db2.gz UQZHJMIDOGZWJD-ULQDDVLXSA-N 1 3 347.507 1.870 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000365718418 446313949 /nfs/dbraw/zinc/31/39/49/446313949.db2.gz PQJUXGJJDKLEAR-INIZCTEOSA-N 1 3 337.439 1.518 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362348190 446328547 /nfs/dbraw/zinc/32/85/47/446328547.db2.gz FNQCJXSHMMXSER-GOEBONIOSA-N 1 3 328.526 1.407 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362348190 446328552 /nfs/dbraw/zinc/32/85/52/446328552.db2.gz FNQCJXSHMMXSER-GOEBONIOSA-N 1 3 328.526 1.407 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCc2nccn21 ZINC000365882918 446387104 /nfs/dbraw/zinc/38/71/04/446387104.db2.gz FMURFTVTJXOQMV-MRXNPFEDSA-N 1 3 333.480 1.245 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374880142 446431166 /nfs/dbraw/zinc/43/11/66/446431166.db2.gz KUHAGWCPPMNVDF-PMPSAXMXSA-N 1 3 337.464 1.483 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039675 446422513 /nfs/dbraw/zinc/42/25/13/446422513.db2.gz USCXWEAEFFLGDO-ROUUACIJSA-N 1 3 348.491 1.512 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN(C)CC1 ZINC000418202915 446455480 /nfs/dbraw/zinc/45/54/80/446455480.db2.gz URKAGIGNMBHGRK-GASCZTMLSA-N 1 3 340.537 1.455 20 0 EDADHO CC(C)Oc1ccc([C@H](CNC(=O)N(C)C2C[NH2+]C2)N(C)C)cc1 ZINC000418212191 446459928 /nfs/dbraw/zinc/45/99/28/446459928.db2.gz ULZQPDQTWGOZRM-KRWDZBQOSA-N 1 3 334.464 1.690 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420298432 446461332 /nfs/dbraw/zinc/46/13/32/446461332.db2.gz FHBVNGIISXEVBG-QYZOEREBSA-N 1 3 345.487 1.156 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420298432 446461335 /nfs/dbraw/zinc/46/13/35/446461335.db2.gz FHBVNGIISXEVBG-QYZOEREBSA-N 1 3 345.487 1.156 20 0 EDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420298432 446461338 /nfs/dbraw/zinc/46/13/38/446461338.db2.gz FHBVNGIISXEVBG-QYZOEREBSA-N 1 3 345.487 1.156 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309158 446472261 /nfs/dbraw/zinc/47/22/61/446472261.db2.gz OJTODYCAOGZXNM-BSDSXHPESA-N 1 3 330.476 1.075 20 0 EDADHO CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CCOC ZINC000420309753 446473395 /nfs/dbraw/zinc/47/33/95/446473395.db2.gz FEYFFRHEMWDEJT-ZWKOTPCHSA-N 1 3 335.492 1.780 20 0 EDADHO CC(C)(C)c1nc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000420309837 446474177 /nfs/dbraw/zinc/47/41/77/446474177.db2.gz FIZAAYNRORZGJI-HNNXBMFYSA-N 1 3 335.496 1.874 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000420312036 446475422 /nfs/dbraw/zinc/47/54/22/446475422.db2.gz HPYZLNNLXJJAMV-FUHWJXTLSA-N 1 3 347.503 1.923 20 0 EDADHO CN1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc2ccccc21 ZINC000420318341 446483369 /nfs/dbraw/zinc/48/33/69/446483369.db2.gz NYGYYZYTMGSMFT-ICSRJNTNSA-N 1 3 325.456 1.869 20 0 EDADHO CN1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)Cc2ccccc21 ZINC000420318341 446483374 /nfs/dbraw/zinc/48/33/74/446483374.db2.gz NYGYYZYTMGSMFT-ICSRJNTNSA-N 1 3 325.456 1.869 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418280673 446483630 /nfs/dbraw/zinc/48/36/30/446483630.db2.gz SGJJKYSFNTYLBQ-UHFFFAOYSA-N 1 3 347.507 1.055 20 0 EDADHO FC(F)(F)COCCCN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420322244 446487766 /nfs/dbraw/zinc/48/77/66/446487766.db2.gz SGMFOYYWFOJOSA-OAHLLOKOSA-N 1 3 337.430 1.963 20 0 EDADHO COCc1cccc(CNC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331607 446501352 /nfs/dbraw/zinc/50/13/52/446501352.db2.gz RAULGZJDUAUDLC-MOPGFXCFSA-N 1 3 345.487 1.771 20 0 EDADHO Cc1csc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343372 446515488 /nfs/dbraw/zinc/51/54/88/446515488.db2.gz QVMMYGWBFAFWHS-ZIAGYGMSSA-N 1 3 332.473 1.886 20 0 EDADHO CC[NH+](CC)CCCNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000376468296 446515602 /nfs/dbraw/zinc/51/56/02/446515602.db2.gz JWQRBWQUCSIGAE-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403589 446519255 /nfs/dbraw/zinc/51/92/55/446519255.db2.gz YPOCYBPFNJTGFI-SJORKVTESA-N 1 3 333.476 1.940 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433144335 446537041 /nfs/dbraw/zinc/53/70/41/446537041.db2.gz LYQCZSHCZKDKKY-SOLBZPMBSA-N 1 3 339.524 1.955 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000418434188 446542428 /nfs/dbraw/zinc/54/24/28/446542428.db2.gz DWUVAZPNZYSXPH-LSDHHAIUSA-N 1 3 326.485 1.255 20 0 EDADHO CN(C)[C@H](CNC(=O)CN[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379600 446557326 /nfs/dbraw/zinc/55/73/26/446557326.db2.gz XRONQGLLEXSQSS-RTBURBONSA-N 1 3 346.519 1.903 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418607027 446612987 /nfs/dbraw/zinc/61/29/87/446612987.db2.gz ZXHHTWSRYVRYJD-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO CN1CCN(C[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979706 446615702 /nfs/dbraw/zinc/61/57/02/446615702.db2.gz ZDSISXZVFVUWEN-KRWDZBQOSA-N 1 3 334.508 1.101 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465001 446577236 /nfs/dbraw/zinc/57/72/36/446577236.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCCCN2CCCO[C@H](C)C2)CC[N@H+]1C ZINC000433465001 446577243 /nfs/dbraw/zinc/57/72/43/446577243.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 1 3 340.512 1.611 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000418592075 446606485 /nfs/dbraw/zinc/60/64/85/446606485.db2.gz OHJKGQCCTAQFLV-WBVHZDCISA-N 1 3 333.480 1.543 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCN(C2CCC2)C1 ZINC000418658134 446637107 /nfs/dbraw/zinc/63/71/07/446637107.db2.gz JCIZLCFYHSJAPR-JCGIZDLHSA-N 1 3 334.508 1.890 20 0 EDADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670913 446642968 /nfs/dbraw/zinc/64/29/68/446642968.db2.gz LSYFVQZUCYYXJQ-INDMIFKZSA-N 1 3 342.487 1.758 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751840 446671602 /nfs/dbraw/zinc/67/16/02/446671602.db2.gz RZIUOLRBAKZKQX-CVEARBPZSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000371100301 446627559 /nfs/dbraw/zinc/62/75/59/446627559.db2.gz PECATTSODVIHGP-UHFFFAOYSA-N 1 3 325.497 1.870 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000371100301 446627563 /nfs/dbraw/zinc/62/75/63/446627563.db2.gz PECATTSODVIHGP-UHFFFAOYSA-N 1 3 325.497 1.870 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)NC[C@H]2C[NH2+]CCCO2)o1 ZINC000418795449 446707057 /nfs/dbraw/zinc/70/70/57/446707057.db2.gz RZIQGJDSMRVGBD-MRXNPFEDSA-N 1 3 338.452 1.040 20 0 EDADHO Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163522 446679595 /nfs/dbraw/zinc/67/95/95/446679595.db2.gz ASQFXUTWRDZRDS-KRWDZBQOSA-N 1 3 339.443 1.796 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000368332410 446791367 /nfs/dbraw/zinc/79/13/67/446791367.db2.gz NQERZROOVDHYRN-QGZVFWFLSA-N 1 3 341.540 1.512 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000424457606 446876297 /nfs/dbraw/zinc/87/62/97/446876297.db2.gz RTTYZTVIVRXFDP-DOTOQJQBSA-N 1 3 344.459 1.335 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000424457606 446876303 /nfs/dbraw/zinc/87/63/03/446876303.db2.gz RTTYZTVIVRXFDP-DOTOQJQBSA-N 1 3 344.459 1.335 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076987 446907309 /nfs/dbraw/zinc/90/73/09/446907309.db2.gz ILDRRWCWPYITCB-OAHLLOKOSA-N 1 3 338.496 1.145 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN(C2CCOCC2)C[C@H]1C ZINC000377082386 446909390 /nfs/dbraw/zinc/90/93/90/446909390.db2.gz NDEBVHBVUVCDHU-ZHALLVOQSA-N 1 3 336.524 1.645 20 0 EDADHO N=C(NO)[C@@H]1CCCCN1C/C=C/CN1CCCC[C@H]1C(=[NH2+])NO ZINC000368525538 446921997 /nfs/dbraw/zinc/92/19/97/446921997.db2.gz PGCWCIWTCXNDFT-BEVHLOIGSA-N 1 3 338.456 1.164 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000419157243 446973567 /nfs/dbraw/zinc/97/35/67/446973567.db2.gz WEMOINVPUCYBPW-RHSMWYFYSA-N 1 3 348.491 1.382 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@H]1C ZINC000442880341 446988597 /nfs/dbraw/zinc/98/85/97/446988597.db2.gz YKHXRFANNYGJBS-IXDOHACOSA-N 1 3 339.524 1.970 20 0 EDADHO COc1ccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443058085 446999712 /nfs/dbraw/zinc/99/97/12/446999712.db2.gz JCLFUHJHXAVQDX-AWEZNQCLSA-N 1 3 335.448 1.381 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058950 447000205 /nfs/dbraw/zinc/00/02/05/447000205.db2.gz OUEQMBMFGHUNQB-QAPCUYQASA-N 1 3 349.450 1.786 20 0 EDADHO C[NH+](C)CCOc1cnccc1CNC(=O)N1CCN2CCC1CC2 ZINC000377310937 447056808 /nfs/dbraw/zinc/05/68/08/447056808.db2.gz NFFWRIFDOHCOBY-UHFFFAOYSA-N 1 3 347.463 1.012 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000413199523 447064581 /nfs/dbraw/zinc/06/45/81/447064581.db2.gz RIUBVYVFZSLKKB-MRXNPFEDSA-N 1 3 334.464 1.520 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375759056 447027311 /nfs/dbraw/zinc/02/73/11/447027311.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 1 3 344.459 1.671 20 0 EDADHO CN(CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375759056 447027313 /nfs/dbraw/zinc/02/73/13/447027313.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 1 3 344.459 1.671 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCCN2C)ccc1C[NH+](C)C ZINC000421298022 447110996 /nfs/dbraw/zinc/11/09/96/447110996.db2.gz FPWOHNFLUJIBHD-QGZVFWFLSA-N 1 3 346.475 1.548 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444173165 447086983 /nfs/dbraw/zinc/08/69/83/447086983.db2.gz CACJVCWMTVYKDW-PKOBYXMFSA-N 1 3 329.444 1.581 20 0 EDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000375937109 447161349 /nfs/dbraw/zinc/16/13/49/447161349.db2.gz DMDSFAMSHPCJFS-RVKKMQEKSA-N 1 3 330.476 1.796 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375967454 447179453 /nfs/dbraw/zinc/17/94/53/447179453.db2.gz CEPHBEFNGRPJOH-KBXCAEBGSA-N 1 3 337.414 1.855 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455671710 447205192 /nfs/dbraw/zinc/20/51/92/447205192.db2.gz TXVYFSOCQWBLLB-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnn1CCN(C)C ZINC000455671710 447205200 /nfs/dbraw/zinc/20/52/00/447205200.db2.gz TXVYFSOCQWBLLB-GJZGRUSLSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000446053508 447221631 /nfs/dbraw/zinc/22/16/31/447221631.db2.gz PGXRWQQSWBBTQW-QGZVFWFLSA-N 1 3 346.475 1.186 20 0 EDADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000447995835 447300063 /nfs/dbraw/zinc/30/00/63/447300063.db2.gz AQNMDDUGGLTFBD-CQSZACIVSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)c1cccc(OCCN(C)C)c1 ZINC000421882970 447267076 /nfs/dbraw/zinc/26/70/76/447267076.db2.gz SHKPHIHSCAPNTG-HOCLYGCPSA-N 1 3 344.463 1.669 20 0 EDADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCCN(CCCO)C1 ZINC000458719767 447459549 /nfs/dbraw/zinc/45/95/49/447459549.db2.gz BAEOZMBHQYHAGM-GTPINHCMSA-N 1 3 338.496 1.149 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354119 447497801 /nfs/dbraw/zinc/49/78/01/447497801.db2.gz HMSCLQQSNJYVFE-GJZGRUSLSA-N 1 3 340.512 1.020 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CCCCN1CCO)C(C)C ZINC000457417094 447575820 /nfs/dbraw/zinc/57/58/20/447575820.db2.gz FMEHZYAGNOSLDN-MRXNPFEDSA-N 1 3 328.501 1.251 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427305194 447578289 /nfs/dbraw/zinc/57/82/89/447578289.db2.gz RBZHNJPARCEPKS-ZBFHGGJFSA-N 1 3 344.459 1.322 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)NC1CC[NH+](C2CCC2)CC1 ZINC000459117093 447581738 /nfs/dbraw/zinc/58/17/38/447581738.db2.gz VDGMFNBFYDRUAW-QGZVFWFLSA-N 1 3 338.496 1.149 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000450733782 447560654 /nfs/dbraw/zinc/56/06/54/447560654.db2.gz SCPCUTHOMHDUMH-DLBZAZTESA-N 1 3 347.503 1.682 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](C)[C@@H](C)CO)CC1 ZINC000450733782 447560660 /nfs/dbraw/zinc/56/06/60/447560660.db2.gz SCPCUTHOMHDUMH-DLBZAZTESA-N 1 3 347.503 1.682 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422636402 447682269 /nfs/dbraw/zinc/68/22/69/447682269.db2.gz NCRRRNLLYVIGJP-UHFFFAOYSA-N 1 3 340.512 1.022 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422713853 447725551 /nfs/dbraw/zinc/72/55/51/447725551.db2.gz KJGJSCFWHYFIQH-CEXWTWQISA-N 1 3 343.519 1.844 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422715828 447725844 /nfs/dbraw/zinc/72/58/44/447725844.db2.gz MTTNYHKFQZQWFS-ZWKOTPCHSA-N 1 3 346.523 1.486 20 0 EDADHO CC[C@H](NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422839852 447765293 /nfs/dbraw/zinc/76/52/93/447765293.db2.gz RORCLRDZMIGSOA-IRXDYDNUSA-N 1 3 338.540 1.733 20 0 EDADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422776376 447747468 /nfs/dbraw/zinc/74/74/68/447747468.db2.gz DJXHWRJCLJUUKS-INIZCTEOSA-N 1 3 331.464 1.727 20 0 EDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828947 447762869 /nfs/dbraw/zinc/76/28/69/447762869.db2.gz OZWIXKPHBXBSSV-CABCVRRESA-N 1 3 336.480 1.609 20 0 EDADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@]1(N2CCOCC2)CCSC1 ZINC000422900883 447771445 /nfs/dbraw/zinc/77/14/45/447771445.db2.gz KFPQILYJXWGWGJ-XSLAGTTESA-N 1 3 339.549 1.705 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022048 447792078 /nfs/dbraw/zinc/79/20/78/447792078.db2.gz GWPYTBWECDPLLD-VXGBXAGGSA-N 1 3 343.830 1.928 20 0 EDADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H]1CCCCN1 ZINC000423113946 447807757 /nfs/dbraw/zinc/80/77/57/447807757.db2.gz VALLVYCLUMXYHP-FVAVCCDCSA-N 1 3 336.524 1.580 20 0 EDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113946 447807758 /nfs/dbraw/zinc/80/77/58/447807758.db2.gz VALLVYCLUMXYHP-FVAVCCDCSA-N 1 3 336.524 1.580 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000487404765 447831916 /nfs/dbraw/zinc/83/19/16/447831916.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 1 3 345.487 1.280 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000487404765 447831918 /nfs/dbraw/zinc/83/19/18/447831918.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 1 3 345.487 1.280 20 0 EDADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000496680867 447847133 /nfs/dbraw/zinc/84/71/33/447847133.db2.gz IXFKLJUVCCEGMA-BMFZPTHFSA-N 1 3 341.496 1.677 20 0 EDADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496680867 447847134 /nfs/dbraw/zinc/84/71/34/447847134.db2.gz IXFKLJUVCCEGMA-BMFZPTHFSA-N 1 3 341.496 1.677 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000523320772 447878896 /nfs/dbraw/zinc/87/88/96/447878896.db2.gz YZNOLGYUPHAUKV-ROUUACIJSA-N 1 3 345.491 1.782 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523320772 447878900 /nfs/dbraw/zinc/87/89/00/447878900.db2.gz YZNOLGYUPHAUKV-ROUUACIJSA-N 1 3 345.491 1.782 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNCCCNC(=O)OC(C)(C)C)CC1 ZINC000497194879 447945919 /nfs/dbraw/zinc/94/59/19/447945919.db2.gz RPJBOKFQRJHIRN-OAHLLOKOSA-N 1 3 329.485 1.584 20 0 EDADHO O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000575991962 447946922 /nfs/dbraw/zinc/94/69/22/447946922.db2.gz JXMIDGMLIZCGDG-QZTJIDSGSA-N 1 3 334.508 1.336 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576000518 447947585 /nfs/dbraw/zinc/94/75/85/447947585.db2.gz CQFQIXUPBJREHN-UHFFFAOYSA-N 1 3 343.475 1.649 20 0 EDADHO CC[C@H](CCO)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553189618 447976765 /nfs/dbraw/zinc/97/67/65/447976765.db2.gz BEVQHHNWXSZUAR-MRXNPFEDSA-N 1 3 339.524 1.708 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)Nc2ccn(C3CCN(C)CC3)n2)CC1 ZINC000491459492 448033137 /nfs/dbraw/zinc/03/31/37/448033137.db2.gz RKXQYRWRTPZGLY-UHFFFAOYSA-N 1 3 348.495 2.144 20 0 EDADHO CC[NH+]1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531291385 448054814 /nfs/dbraw/zinc/05/48/14/448054814.db2.gz BPRMUCKPORHRPU-IBGZPJMESA-N 1 3 331.460 1.224 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000526041168 448085558 /nfs/dbraw/zinc/08/55/58/448085558.db2.gz WJPGDEUNZUZNED-HUUCEWRRSA-N 1 3 339.505 1.943 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000525952918 448065534 /nfs/dbraw/zinc/06/55/34/448065534.db2.gz ZXVMCSFHCGFUJN-LMWSTFAQSA-N 1 3 333.398 1.860 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000525952918 448065538 /nfs/dbraw/zinc/06/55/38/448065538.db2.gz ZXVMCSFHCGFUJN-LMWSTFAQSA-N 1 3 333.398 1.860 20 0 EDADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184416 448121521 /nfs/dbraw/zinc/12/15/21/448121521.db2.gz YFYSKNPDVKKYGC-ROUUACIJSA-N 1 3 346.475 1.329 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cn2)CC1 ZINC000571431420 448153909 /nfs/dbraw/zinc/15/39/09/448153909.db2.gz BZGAJQREUHAXIQ-CGTJXYLNSA-N 1 3 347.507 1.065 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000571897541 448231747 /nfs/dbraw/zinc/23/17/47/448231747.db2.gz PMUNCNXIECCYDM-MSOLQXFVSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441975 448260374 /nfs/dbraw/zinc/26/03/74/448260374.db2.gz SPQAEHUXKHPWRG-IXDOHACOSA-N 1 3 336.549 1.966 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441975 448260381 /nfs/dbraw/zinc/26/03/81/448260381.db2.gz SPQAEHUXKHPWRG-IXDOHACOSA-N 1 3 336.549 1.966 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532441975 448260385 /nfs/dbraw/zinc/26/03/85/448260385.db2.gz SPQAEHUXKHPWRG-IXDOHACOSA-N 1 3 336.549 1.966 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000515113779 448261071 /nfs/dbraw/zinc/26/10/71/448261071.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 1 3 347.503 1.860 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000515113779 448261077 /nfs/dbraw/zinc/26/10/77/448261077.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 1 3 347.503 1.860 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000515485791 448319573 /nfs/dbraw/zinc/31/95/73/448319573.db2.gz ADTYVIGOCXMOLY-QAPCUYQASA-N 1 3 330.476 1.761 20 0 EDADHO COC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604447 448288378 /nfs/dbraw/zinc/28/83/78/448288378.db2.gz GEQYLXLSCVCCGL-DNVCBOLYSA-N 1 3 346.475 1.349 20 0 EDADHO Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572368003 448359478 /nfs/dbraw/zinc/35/94/78/448359478.db2.gz QHOCDWRMYIWUGA-HNNXBMFYSA-N 1 3 339.447 1.503 20 0 EDADHO Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000572368003 448359483 /nfs/dbraw/zinc/35/94/83/448359483.db2.gz QHOCDWRMYIWUGA-HNNXBMFYSA-N 1 3 339.447 1.503 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831574 448395948 /nfs/dbraw/zinc/39/59/48/448395948.db2.gz CMVDDJMOAAPMOP-RYRKJORJSA-N 1 3 330.476 1.806 20 0 EDADHO CN(C)CCn1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1 ZINC000566438501 448470147 /nfs/dbraw/zinc/47/01/47/448470147.db2.gz PRYWSDBODVVKAU-UHFFFAOYSA-N 1 3 345.447 1.637 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000516617287 448448200 /nfs/dbraw/zinc/44/82/00/448448200.db2.gz BWZMPLQMTVVLDC-DLBZAZTESA-N 1 3 336.455 1.816 20 0 EDADHO C[C@H](CNC(=O)COC1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000572838489 448476036 /nfs/dbraw/zinc/47/60/36/448476036.db2.gz BEWWNEVENSLWPR-FAEJEUNOSA-N 1 3 333.476 1.910 20 0 EDADHO NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759459 448484189 /nfs/dbraw/zinc/48/41/89/448484189.db2.gz RFRCYZRKNCKKDG-YESZJQIVSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759459 448484190 /nfs/dbraw/zinc/48/41/90/448484190.db2.gz RFRCYZRKNCKKDG-YESZJQIVSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759459 448484193 /nfs/dbraw/zinc/48/41/93/448484193.db2.gz RFRCYZRKNCKKDG-YESZJQIVSA-N 1 3 344.459 1.462 20 0 EDADHO C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584398068 448509522 /nfs/dbraw/zinc/50/95/22/448509522.db2.gz RWGOEEVSFQYBSO-AWEZNQCLSA-N 1 3 344.459 1.261 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000578331569 448519183 /nfs/dbraw/zinc/51/91/83/448519183.db2.gz CBXOHFRJMDLQGU-QAPCUYQASA-N 1 3 345.491 1.948 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCN1Cc1ccccc1 ZINC000566904482 448581437 /nfs/dbraw/zinc/58/14/37/448581437.db2.gz BPFMPIGARHYNRI-XYVMCAHJSA-N 1 3 330.476 1.947 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000584616789 448584638 /nfs/dbraw/zinc/58/46/38/448584638.db2.gz LPYKAAKVVXEHBY-KSZLIROESA-N 1 3 330.476 1.219 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000567232887 448644977 /nfs/dbraw/zinc/64/49/77/448644977.db2.gz OPBXWYDYQCJWHB-GOSISDBHSA-N 1 3 332.492 1.385 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000567232887 448644979 /nfs/dbraw/zinc/64/49/79/448644979.db2.gz OPBXWYDYQCJWHB-GOSISDBHSA-N 1 3 332.492 1.385 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000579005159 448693907 /nfs/dbraw/zinc/69/39/07/448693907.db2.gz FYWBXQXKSHECEK-BZSNNMDCSA-N 1 3 331.460 1.301 20 0 EDADHO COCCC[NH+]1CCC(NC[C@H](O)COc2cccc(C)c2)CC1 ZINC000567378239 448680528 /nfs/dbraw/zinc/68/05/28/448680528.db2.gz UVEPFHXRUQCIAZ-SFHVURJKSA-N 1 3 336.476 1.825 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286057 448807539 /nfs/dbraw/zinc/80/75/39/448807539.db2.gz VYDIOCXQTKWQSV-IRXDYDNUSA-N 1 3 328.460 1.845 20 0 EDADHO C[NH+](C)CC1(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CCC1 ZINC000545283883 448784534 /nfs/dbraw/zinc/78/45/34/448784534.db2.gz XIABPOKMRJSXOV-KRWDZBQOSA-N 1 3 330.476 1.894 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)n2)CC1 ZINC000579449553 448795025 /nfs/dbraw/zinc/79/50/25/448795025.db2.gz GSGUFPQBEZYOEW-MRXNPFEDSA-N 1 3 348.495 2.179 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000579560069 448819909 /nfs/dbraw/zinc/81/99/09/448819909.db2.gz GMPLLTOXBRTIKJ-FUHWJXTLSA-N 1 3 332.448 1.424 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](CC[C@H]3CCNC3=O)CC2)C[C@H](C)O1 ZINC000568163649 448826451 /nfs/dbraw/zinc/82/64/51/448826451.db2.gz KNSJCJLTTPDADT-SOLBZPMBSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529763 448897912 /nfs/dbraw/zinc/89/79/12/448897912.db2.gz ZWKIFMGIGQJLMW-QGZVFWFLSA-N 1 3 336.524 1.395 20 0 EDADHO C/C=C/c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000574782257 448955611 /nfs/dbraw/zinc/95/56/11/448955611.db2.gz VCSYETOAVCXOTP-VOTSOKGWSA-N 1 3 346.475 1.610 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000574987414 449007002 /nfs/dbraw/zinc/00/70/02/449007002.db2.gz XVUZSQQZUCHEOO-RCCFBDPRSA-N 1 3 328.460 1.881 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000574987414 449007004 /nfs/dbraw/zinc/00/70/04/449007004.db2.gz XVUZSQQZUCHEOO-RCCFBDPRSA-N 1 3 328.460 1.881 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023493 449015773 /nfs/dbraw/zinc/01/57/73/449015773.db2.gz JSSCKCFRJHPGQR-UKRRQHHQSA-N 1 3 331.464 1.894 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956850 449077565 /nfs/dbraw/zinc/07/75/65/449077565.db2.gz ZZQBHNWZYIXIGD-DOTOQJQBSA-N 1 3 341.459 1.752 20 0 EDADHO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000597943352 449153543 /nfs/dbraw/zinc/15/35/43/449153543.db2.gz YZDSTXUBVWOHQE-ARFHVFGLSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000597943352 449153544 /nfs/dbraw/zinc/15/35/44/449153544.db2.gz YZDSTXUBVWOHQE-ARFHVFGLSA-N 1 3 341.496 1.354 20 0 EDADHO CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066445 449441808 /nfs/dbraw/zinc/44/18/08/449441808.db2.gz FREVQAPDQZWHQY-VQIMIIECSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066445 449441810 /nfs/dbraw/zinc/44/18/10/449441810.db2.gz FREVQAPDQZWHQY-VQIMIIECSA-N 1 3 337.508 1.556 20 0 EDADHO CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CCN(C)C1 ZINC000596603087 449569280 /nfs/dbraw/zinc/56/92/80/449569280.db2.gz UANBWMNWMMGIHF-AWEZNQCLSA-N 1 3 328.526 1.549 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000617507340 449654977 /nfs/dbraw/zinc/65/49/77/449654977.db2.gz SJBDDZDFSMTHSL-DOTOQJQBSA-N 1 3 332.492 1.890 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCc2cccnc21 ZINC000617507340 449654982 /nfs/dbraw/zinc/65/49/82/449654982.db2.gz SJBDDZDFSMTHSL-DOTOQJQBSA-N 1 3 332.492 1.890 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000617506925 449657110 /nfs/dbraw/zinc/65/71/10/449657110.db2.gz CKMJUUMKBBVNIL-AWEZNQCLSA-N 1 3 331.464 1.494 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000617506925 449657114 /nfs/dbraw/zinc/65/71/14/449657114.db2.gz CKMJUUMKBBVNIL-AWEZNQCLSA-N 1 3 331.464 1.494 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1COc2ccccc2O1 ZINC000617508232 449659927 /nfs/dbraw/zinc/65/99/27/449659927.db2.gz YVDCXVQQBFWFCM-HOTGVXAUSA-N 1 3 349.475 1.605 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1COc2ccccc2O1 ZINC000617508232 449659930 /nfs/dbraw/zinc/65/99/30/449659930.db2.gz YVDCXVQQBFWFCM-HOTGVXAUSA-N 1 3 349.475 1.605 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583912 449687235 /nfs/dbraw/zinc/68/72/35/449687235.db2.gz VODPADLNLAUMLX-UAGQMJEPSA-N 1 3 347.459 1.151 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583912 449687240 /nfs/dbraw/zinc/68/72/40/449687240.db2.gz VODPADLNLAUMLX-UAGQMJEPSA-N 1 3 347.459 1.151 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N(C)C ZINC000617700447 449744994 /nfs/dbraw/zinc/74/49/94/449744994.db2.gz DZPINNLOHRVTIO-QZTJIDSGSA-N 1 3 333.476 1.456 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N(C)C ZINC000617700447 449744999 /nfs/dbraw/zinc/74/49/99/449744999.db2.gz DZPINNLOHRVTIO-QZTJIDSGSA-N 1 3 333.476 1.456 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700781 449747795 /nfs/dbraw/zinc/74/77/95/449747795.db2.gz LDESQOWNSSJMEO-GPMSIDNRSA-N 1 3 345.487 1.742 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000617700781 449747800 /nfs/dbraw/zinc/74/78/00/449747800.db2.gz LDESQOWNSSJMEO-GPMSIDNRSA-N 1 3 345.487 1.742 20 0 EDADHO CN(C)C[C@H](NC(=O)NC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000601222867 449758241 /nfs/dbraw/zinc/75/82/41/449758241.db2.gz OUIFCQCACZAALP-KRWDZBQOSA-N 1 3 334.464 1.045 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000594949831 449817892 /nfs/dbraw/zinc/81/78/92/449817892.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000594949831 449817901 /nfs/dbraw/zinc/81/79/01/449817901.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000595007279 449839855 /nfs/dbraw/zinc/83/98/55/449839855.db2.gz LSQRKXWOMURNCR-HNNXBMFYSA-N 1 3 327.513 1.970 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612986019 449971167 /nfs/dbraw/zinc/97/11/67/449971167.db2.gz IINZPTSQYYTMLD-OAHLLOKOSA-N 1 3 336.505 1.963 20 0 EDADHO CN1CCC[C@H]1[C@@H]1COCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000615270186 450033812 /nfs/dbraw/zinc/03/38/12/450033812.db2.gz PCQPICVYHLXNEW-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC(C[NH+](C)C)C3)CC2)c1 ZINC000615509497 450119373 /nfs/dbraw/zinc/11/93/73/450119373.db2.gz NMXXBWBNWQRSNH-UHFFFAOYSA-N 1 3 344.503 1.527 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000625286575 450274769 /nfs/dbraw/zinc/27/47/69/450274769.db2.gz IPYIMIKPQAFPJC-HNNXBMFYSA-N 1 3 337.439 1.329 20 0 EDADHO CC(CN1C[C@@H]2CCC[C@]2(CO)C1)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014919 450554102 /nfs/dbraw/zinc/55/41/02/450554102.db2.gz ZPTFLCXLWXKDDW-VNTMZGSJSA-N 1 3 336.520 1.811 20 0 EDADHO CC(CN1C[C@@H]2CCC[C@]2(CO)C1)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014919 450554104 /nfs/dbraw/zinc/55/41/04/450554104.db2.gz ZPTFLCXLWXKDDW-VNTMZGSJSA-N 1 3 336.520 1.811 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCCN2C2CCCC2)CCO1 ZINC000620971385 450567409 /nfs/dbraw/zinc/56/74/09/450567409.db2.gz HYJRDNVHNWEGNS-QZTJIDSGSA-N 1 3 337.508 1.963 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000620970680 450567621 /nfs/dbraw/zinc/56/76/21/450567621.db2.gz VRCVNPUQRFUGQD-SFHVURJKSA-N 1 3 333.476 1.931 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000627292638 450629314 /nfs/dbraw/zinc/62/93/14/450629314.db2.gz ZRKFNKBZFKYDFU-UAGQMJEPSA-N 1 3 346.475 1.052 20 0 EDADHO CC(C)N1CCC(N(C)S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631712541 450728347 /nfs/dbraw/zinc/72/83/47/450728347.db2.gz PWWBENWPBUTZFY-UHFFFAOYSA-N 1 3 331.526 1.607 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C[C@@H](O)CN3CCCC3)C2)c1 ZINC000629565925 450739162 /nfs/dbraw/zinc/73/91/62/450739162.db2.gz QSNQKNKSLCFISP-NVXWUHKLSA-N 1 3 349.475 1.329 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621642529 450807862 /nfs/dbraw/zinc/80/78/62/450807862.db2.gz POTTVZTZDYDQAG-ZACQAIPSSA-N 1 3 325.497 1.772 20 0 EDADHO FC1(F)Oc2cccc(CCN3CC[C@@H](N4CC[NH2+]CC4)C3)c2O1 ZINC000631827734 450801107 /nfs/dbraw/zinc/80/11/07/450801107.db2.gz VKOQNZBWYBGWFE-CQSZACIVSA-N 1 3 339.386 1.530 20 0 EDADHO CN(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929731 /nfs/dbraw/zinc/92/97/31/450929731.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 1 3 345.487 1.470 20 0 EDADHO CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929737 /nfs/dbraw/zinc/92/97/37/450929737.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 1 3 345.487 1.470 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000626923358 451007553 /nfs/dbraw/zinc/00/75/53/451007553.db2.gz RDAUSQKCGYWMDA-YSIASYRMSA-N 1 3 342.487 1.902 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562085 451060703 /nfs/dbraw/zinc/06/07/03/451060703.db2.gz VVFWSHHCZVIVSA-QGZVFWFLSA-N 1 3 336.524 1.252 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000627038528 451095480 /nfs/dbraw/zinc/09/54/80/451095480.db2.gz JXFHQUUYBZCPSS-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO CO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000628051485 451105697 /nfs/dbraw/zinc/10/56/97/451105697.db2.gz HMCYWXBMCCVVGA-YOEHRIQHSA-N 1 3 339.455 1.901 20 0 EDADHO CO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000628051485 451105701 /nfs/dbraw/zinc/10/57/01/451105701.db2.gz HMCYWXBMCCVVGA-YOEHRIQHSA-N 1 3 339.455 1.901 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C23CCC[NH+](CCC2)C3)C[C@H](C)O1 ZINC000635657815 451142749 /nfs/dbraw/zinc/14/27/49/451142749.db2.gz FATHJJWEGCPVAS-CALCHBBNSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000627173322 451163433 /nfs/dbraw/zinc/16/34/33/451163433.db2.gz UNOUFAJNUWGLQG-HNNXBMFYSA-N 1 3 342.871 1.478 20 0 EDADHO C[NH+](C)CC1(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000635743557 451213481 /nfs/dbraw/zinc/21/34/81/451213481.db2.gz IPHRTFRYSYDJFH-UHFFFAOYSA-N 1 3 331.460 1.924 20 0 EDADHO C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632361347 451223957 /nfs/dbraw/zinc/22/39/57/451223957.db2.gz XMWPBHQYITYNGO-INIZCTEOSA-N 1 3 343.537 1.608 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086242 451252089 /nfs/dbraw/zinc/25/20/89/451252089.db2.gz QOKSMKKKFYFSDM-IEBWSBKVSA-N 1 3 346.519 1.682 20 0 EDADHO CC(C)CC[C@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089767 451255901 /nfs/dbraw/zinc/25/59/01/451255901.db2.gz CUOBTHZWUMXPPJ-KSZLIROESA-N 1 3 338.540 1.767 20 0 EDADHO CC(C)CC[C@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089767 451255905 /nfs/dbraw/zinc/25/59/05/451255905.db2.gz CUOBTHZWUMXPPJ-KSZLIROESA-N 1 3 338.540 1.767 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000638113894 451283136 /nfs/dbraw/zinc/28/31/36/451283136.db2.gz QOKLROWTQAWNGA-AWEZNQCLSA-N 1 3 332.448 1.449 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556935 451299339 /nfs/dbraw/zinc/29/93/39/451299339.db2.gz IWEBLJDNIOVSBG-ROUUACIJSA-N 1 3 346.475 1.189 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638144224 451317789 /nfs/dbraw/zinc/31/77/89/451317789.db2.gz BQOLEIFMQSJEKO-CHWSQXEVSA-N 1 3 345.447 1.113 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N3CC[C@@](C)(C[NH3+])C3)ccc2[nH]c1=O ZINC000638220467 451364569 /nfs/dbraw/zinc/36/45/69/451364569.db2.gz QJLAZMGDSAACKS-SFHVURJKSA-N 1 3 345.447 1.114 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000630809727 451414419 /nfs/dbraw/zinc/41/44/19/451414419.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 1 3 331.464 1.502 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CC[N@H+]1C ZINC000630809727 451414422 /nfs/dbraw/zinc/41/44/22/451414422.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 1 3 331.464 1.502 20 0 EDADHO CC(C)CC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638346792 451449412 /nfs/dbraw/zinc/44/94/12/451449412.db2.gz GRGSFTNCFCLZRO-SFHVURJKSA-N 1 3 346.519 1.860 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)[C@]12CCCO2 ZINC000638359019 451459250 /nfs/dbraw/zinc/45/92/50/451459250.db2.gz FDRNORNOBMPMOH-KZNAEPCWSA-N 1 3 325.497 1.330 20 0 EDADHO CCNC(=O)c1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638397758 451487825 /nfs/dbraw/zinc/48/78/25/451487825.db2.gz HCQBTEDFWZFURH-UHFFFAOYSA-N 1 3 333.476 1.761 20 0 EDADHO C[C@H](NC[C@@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710995 451489897 /nfs/dbraw/zinc/48/98/97/451489897.db2.gz HSNBPNUOEDSZMY-BQFCYCMXSA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H](NC[C@@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000634710995 451489900 /nfs/dbraw/zinc/48/99/00/451489900.db2.gz HSNBPNUOEDSZMY-BQFCYCMXSA-N 1 3 340.508 1.522 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000634710995 451489904 /nfs/dbraw/zinc/48/99/04/451489904.db2.gz HSNBPNUOEDSZMY-BQFCYCMXSA-N 1 3 340.508 1.522 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400633 451489968 /nfs/dbraw/zinc/48/99/68/451489968.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 1 3 346.519 1.682 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400633 451489972 /nfs/dbraw/zinc/48/99/72/451489972.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 1 3 346.519 1.682 20 0 EDADHO OC[C@H](Cc1ccccc1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721242 451501410 /nfs/dbraw/zinc/50/14/10/451501410.db2.gz VOZNJLHUXIZVKN-SFTDATJTSA-N 1 3 340.467 1.817 20 0 EDADHO OC[C@H](Cc1ccccc1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721242 451501414 /nfs/dbraw/zinc/50/14/14/451501414.db2.gz VOZNJLHUXIZVKN-SFTDATJTSA-N 1 3 340.467 1.817 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638429015 451510213 /nfs/dbraw/zinc/51/02/13/451510213.db2.gz AMDDQTGMTLDGTO-CQSZACIVSA-N 1 3 347.463 1.407 20 0 EDADHO CO[C@@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000638459904 451526226 /nfs/dbraw/zinc/52/62/26/451526226.db2.gz NNJYACXRDGDIRT-QAPCUYQASA-N 1 3 325.497 1.186 20 0 EDADHO CO[C@](C)(C[NH2+]CCCN1CCN(c2ccncc2)CC1)C1CC1 ZINC000638463470 451529687 /nfs/dbraw/zinc/52/96/87/451529687.db2.gz VOAPIQDTDPDVAF-LJQANCHMSA-N 1 3 332.492 1.998 20 0 EDADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526120 451558690 /nfs/dbraw/zinc/55/86/90/451558690.db2.gz DXLJXDSAIMEGTF-INIZCTEOSA-N 1 3 334.464 1.680 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CCN1C ZINC000631079356 451572678 /nfs/dbraw/zinc/57/26/78/451572678.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc(OCCN3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079356 451572681 /nfs/dbraw/zinc/57/26/81/451572681.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc(OCCN3CCOCC3)cc2)CC[N@H+]1C ZINC000631079356 451572686 /nfs/dbraw/zinc/57/26/86/451572686.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011756 451648642 /nfs/dbraw/zinc/64/86/42/451648642.db2.gz HBGQOHNFPZWPEW-UTJXIGIESA-N 1 3 340.489 1.536 20 0 EDADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011756 451648646 /nfs/dbraw/zinc/64/86/46/451648646.db2.gz HBGQOHNFPZWPEW-UTJXIGIESA-N 1 3 340.489 1.536 20 0 EDADHO NC[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000638844868 451708580 /nfs/dbraw/zinc/70/85/80/451708580.db2.gz BXRYZFCKAOHSKD-SFHVURJKSA-N 1 3 327.403 1.830 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845459 451708795 /nfs/dbraw/zinc/70/87/95/451708795.db2.gz QEAAVDLVEGOULR-SQGPQFPESA-N 1 3 343.471 1.481 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000638727138 451667560 /nfs/dbraw/zinc/66/75/60/451667560.db2.gz FKWPKXFJHJDDBP-CQSZACIVSA-N 1 3 345.434 1.335 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641215181 451784199 /nfs/dbraw/zinc/78/41/99/451784199.db2.gz ORMAFZWVYROSST-IAGOWNOFSA-N 1 3 329.448 1.238 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000644583801 451877210 /nfs/dbraw/zinc/87/72/10/451877210.db2.gz LVIKILNEECLMEF-KZNAEPCWSA-N 1 3 349.475 1.847 20 0 EDADHO CC1(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CNC1 ZINC000649287845 451960439 /nfs/dbraw/zinc/96/04/39/451960439.db2.gz CGZKQVSPZYVJKG-UHFFFAOYSA-N 1 3 331.460 1.188 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(N)CCN(C)C2)cc1 ZINC000649288268 451963173 /nfs/dbraw/zinc/96/31/73/451963173.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(N)CCN(C)C2)cc1 ZINC000649288268 451963178 /nfs/dbraw/zinc/96/31/78/451963178.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 1 3 344.503 1.710 20 0 EDADHO C[N@H+](CCCNC(=O)CN1CCCC[C@H](N)C1=O)C1CCCCC1 ZINC000649293706 451969250 /nfs/dbraw/zinc/96/92/50/451969250.db2.gz FQMOPQSUDOCDGG-INIZCTEOSA-N 1 3 338.496 1.097 20 0 EDADHO C[N@@H+](CCCNC(=O)CN1CCCC[C@H](N)C1=O)C1CCCCC1 ZINC000649293706 451969253 /nfs/dbraw/zinc/96/92/53/451969253.db2.gz FQMOPQSUDOCDGG-INIZCTEOSA-N 1 3 338.496 1.097 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305096 451981527 /nfs/dbraw/zinc/98/15/27/451981527.db2.gz CVMICXFENDASER-ICSRJNTNSA-N 1 3 345.487 1.783 20 0 EDADHO CN1CC[C@](N)(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000649305883 451983068 /nfs/dbraw/zinc/98/30/68/451983068.db2.gz JTLWWGVZXHCZNV-MRXNPFEDSA-N 1 3 340.855 1.252 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000649332323 452014800 /nfs/dbraw/zinc/01/48/00/452014800.db2.gz SDFKKCPISZHRIK-YOEHRIQHSA-N 1 3 344.459 1.449 20 0 EDADHO O[C@@H](COC[C@H]1CCCO1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682101 452021592 /nfs/dbraw/zinc/02/15/92/452021592.db2.gz KSCGGKVSOMKHRW-QZTJIDSGSA-N 1 3 335.448 1.150 20 0 EDADHO [NH3+][C@H]1CCC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000649365739 452043237 /nfs/dbraw/zinc/04/32/37/452043237.db2.gz VCHODBOIJQNAEJ-ROUUACIJSA-N 1 3 344.503 1.832 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649372562 452047688 /nfs/dbraw/zinc/04/76/88/452047688.db2.gz CLFPPHGCEJJHIX-INIZCTEOSA-N 1 3 335.492 1.812 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798483 452089105 /nfs/dbraw/zinc/08/91/05/452089105.db2.gz HPVJOZVVICYGKR-ZHALLVOQSA-N 1 3 333.476 1.953 20 0 EDADHO C[NH+]1CCC2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000639758871 452097781 /nfs/dbraw/zinc/09/77/81/452097781.db2.gz XYAHLUNWXDWQFV-UHFFFAOYSA-N 1 3 345.443 1.449 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000641773235 452244746 /nfs/dbraw/zinc/24/47/46/452244746.db2.gz XCAHFQDBJLLOMQ-KRWDZBQOSA-N 1 3 337.464 1.567 20 0 EDADHO Cc1nc(-c2ccccc2)oc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796621 452271191 /nfs/dbraw/zinc/27/11/91/452271191.db2.gz DTKXOVOUZLPBMO-MRXNPFEDSA-N 1 3 342.443 1.937 20 0 EDADHO CN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000638029950 452279880 /nfs/dbraw/zinc/27/98/80/452279880.db2.gz YEBHEVVKWGWEKG-UHFFFAOYSA-N 1 3 345.896 1.761 20 0 EDADHO CCN[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000638047980 452314156 /nfs/dbraw/zinc/31/41/56/452314156.db2.gz LMZRHSYLUYVURD-AWEZNQCLSA-N 1 3 334.464 1.695 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665757888 452326092 /nfs/dbraw/zinc/32/60/92/452326092.db2.gz ZECAQPQKZSBSOA-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C[C@@H](C)O1 ZINC000665757888 452326097 /nfs/dbraw/zinc/32/60/97/452326097.db2.gz ZECAQPQKZSBSOA-XHSDSOJGSA-N 1 3 328.501 1.467 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000655515406 452326207 /nfs/dbraw/zinc/32/62/07/452326207.db2.gz ZWIVLGFJKVZFGV-AWEZNQCLSA-N 1 3 344.381 1.448 20 0 EDADHO CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665758236 452329019 /nfs/dbraw/zinc/32/90/19/452329019.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 1 3 341.544 1.240 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC1CCN(CCOC)CC1 ZINC000652140120 452333851 /nfs/dbraw/zinc/33/38/51/452333851.db2.gz FCWQKLVELWUUCI-UHFFFAOYSA-N 1 3 334.464 1.316 20 0 EDADHO Cc1ccncc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762571 452339392 /nfs/dbraw/zinc/33/93/92/452339392.db2.gz IYOXUXXFNUJMHG-INIZCTEOSA-N 1 3 335.496 1.803 20 0 EDADHO Cc1ccncc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762571 452339399 /nfs/dbraw/zinc/33/93/99/452339399.db2.gz IYOXUXXFNUJMHG-INIZCTEOSA-N 1 3 335.496 1.803 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482057 452340331 /nfs/dbraw/zinc/34/03/31/452340331.db2.gz UGDRXVVHINIUDE-VDHUWJSZSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659482057 452340343 /nfs/dbraw/zinc/34/03/43/452340343.db2.gz UGDRXVVHINIUDE-VDHUWJSZSA-N 1 3 348.466 1.978 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481210 452341511 /nfs/dbraw/zinc/34/15/11/452341511.db2.gz GTDOWONPFFBHFL-WAZRQNRBSA-N 1 3 328.460 1.558 20 0 EDADHO [NH3+]C1(CC(=O)NCCN2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000638057879 452344254 /nfs/dbraw/zinc/34/42/54/452344254.db2.gz PKCLSFTXACAGPZ-UHFFFAOYSA-N 1 3 344.503 1.582 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CCN1CCCCC1 ZINC000665764083 452349720 /nfs/dbraw/zinc/34/97/20/452349720.db2.gz UCZLREZYYCYWPU-KRWDZBQOSA-N 1 3 341.544 1.386 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064250 452364458 /nfs/dbraw/zinc/36/44/58/452364458.db2.gz KPMVRDLMPSNFFU-LZLYRXPVSA-N 1 3 325.497 1.626 20 0 EDADHO CC1CCN(CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663629129 452367773 /nfs/dbraw/zinc/36/77/73/452367773.db2.gz JRTFXMSCURIHDD-QGZVFWFLSA-N 1 3 340.512 1.471 20 0 EDADHO CC[NH2+]CCCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659505208 452370948 /nfs/dbraw/zinc/37/09/48/452370948.db2.gz IPAJGFWEKJDLTM-UHFFFAOYSA-N 1 3 333.480 1.592 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652182984 452377026 /nfs/dbraw/zinc/37/70/26/452377026.db2.gz JTZQEYGYIXKHPB-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659538111 452397272 /nfs/dbraw/zinc/39/72/72/452397272.db2.gz VTCHOWRLBAFFOK-FHLIZLRMSA-N 1 3 346.475 1.050 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659565475 452420928 /nfs/dbraw/zinc/42/09/28/452420928.db2.gz IQHNGWUQIYFMRT-QGZVFWFLSA-N 1 3 331.464 1.284 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652234836 452424031 /nfs/dbraw/zinc/42/40/31/452424031.db2.gz LXDCPKPBUARYBC-INIZCTEOSA-N 1 3 334.464 1.726 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618062 452475434 /nfs/dbraw/zinc/47/54/34/452475434.db2.gz ZBWZBIBSPIBOGT-TVRKMHQQSA-N 1 3 328.460 1.654 20 0 EDADHO C[C@H](NCc1ccc2c(c1)C[NH2+]CC2)c1ccc(S(N)(=O)=O)cc1 ZINC000652341530 452512234 /nfs/dbraw/zinc/51/22/34/452512234.db2.gz WVRGSTKPFRVLTR-ZDUSSCGKSA-N 1 3 345.468 1.831 20 0 EDADHO CCNC(=O)c1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655691844 452512493 /nfs/dbraw/zinc/51/24/93/452512493.db2.gz XQRWVBJHVMHLSE-GOSISDBHSA-N 1 3 331.460 1.779 20 0 EDADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347263 452522309 /nfs/dbraw/zinc/52/23/09/452522309.db2.gz XFIZOLKFJLSLHY-LUKYLMHMSA-N 1 3 325.497 1.900 20 0 EDADHO CC(C)CCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346886 452523816 /nfs/dbraw/zinc/52/38/16/452523816.db2.gz LALHMWATXHRVNC-MWDXBVQZSA-N 1 3 325.497 1.756 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655708759 452527114 /nfs/dbraw/zinc/52/71/14/452527114.db2.gz OFLWAZAUZKIFBX-MJGOQNOKSA-N 1 3 338.540 1.103 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000657833582 452556053 /nfs/dbraw/zinc/55/60/53/452556053.db2.gz VKVKWJAHLSUHEI-SFHVURJKSA-N 1 3 327.513 1.434 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000655909811 452665500 /nfs/dbraw/zinc/66/55/00/452665500.db2.gz GNYXKSBTXHWYIM-QWHCGFSZSA-N 1 3 330.354 1.450 20 0 EDADHO C(N1CCN(C2CC2)CC1)C1(C[NH+]2CCN(C3CC3)CC2)CCC1 ZINC000647960934 452705734 /nfs/dbraw/zinc/70/57/34/452705734.db2.gz UXPZFQPKNPCUKW-UHFFFAOYSA-N 1 3 332.536 1.717 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661981528 452734209 /nfs/dbraw/zinc/73/42/09/452734209.db2.gz RQFMMGMRXKWWAA-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661985079 452739362 /nfs/dbraw/zinc/73/93/62/452739362.db2.gz OYMBPMQTDBIJQN-INIZCTEOSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)C1 ZINC000658148937 452757503 /nfs/dbraw/zinc/75/75/03/452757503.db2.gz PPDQUFVQAXXDIZ-NEWSRXKRSA-N 1 3 340.508 1.787 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659868 452774624 /nfs/dbraw/zinc/77/46/24/452774624.db2.gz MDUVPYAAMBLMKN-GASCZTMLSA-N 1 3 326.485 1.079 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(N(C)C)c(Cl)c1 ZINC000654732712 452852637 /nfs/dbraw/zinc/85/26/37/452852637.db2.gz FLJVDPNAUKCHMR-UHFFFAOYSA-N 1 3 341.887 1.366 20 0 EDADHO CC[C@H](OCC[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000650710761 452948429 /nfs/dbraw/zinc/94/84/29/452948429.db2.gz YYFSBUUEQJTZFP-WMZOPIPTSA-N 1 3 333.476 1.941 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315420 453034153 /nfs/dbraw/zinc/03/41/53/453034153.db2.gz FIFIHNASPHEJRN-RDJZCZTQSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315420 453034161 /nfs/dbraw/zinc/03/41/61/453034161.db2.gz FIFIHNASPHEJRN-RDJZCZTQSA-N 1 3 331.460 1.682 20 0 EDADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315420 453034169 /nfs/dbraw/zinc/03/41/69/453034169.db2.gz FIFIHNASPHEJRN-RDJZCZTQSA-N 1 3 331.460 1.682 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000662337897 453055631 /nfs/dbraw/zinc/05/56/31/453055631.db2.gz NMPQAPJGYMXWBG-QGZVFWFLSA-N 1 3 340.475 1.636 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000662337897 453055639 /nfs/dbraw/zinc/05/56/39/453055639.db2.gz NMPQAPJGYMXWBG-QGZVFWFLSA-N 1 3 340.475 1.636 20 0 EDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CCC1 ZINC000662339018 453057038 /nfs/dbraw/zinc/05/70/38/453057038.db2.gz ZLXHTYDYHQHUCS-AEFFLSMTSA-N 1 3 347.507 1.814 20 0 EDADHO CO[C@@H](C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1)C1CCC1 ZINC000662339018 453057045 /nfs/dbraw/zinc/05/70/45/453057045.db2.gz ZLXHTYDYHQHUCS-AEFFLSMTSA-N 1 3 347.507 1.814 20 0 EDADHO CN(CCN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139424 453069472 /nfs/dbraw/zinc/06/94/72/453069472.db2.gz VHOJHENOQOXKEB-RYQLBKOJSA-N 1 3 336.524 1.392 20 0 EDADHO CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000644153832 453085390 /nfs/dbraw/zinc/08/53/90/453085390.db2.gz VQZWCSYQWPSKHC-HZPDHXFCSA-N 1 3 337.414 1.964 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1 ZINC000660155194 453086073 /nfs/dbraw/zinc/08/60/73/453086073.db2.gz MAMJGWGWGCCADQ-WCIQWLHISA-N 1 3 336.568 1.922 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)C1 ZINC000660155194 453086078 /nfs/dbraw/zinc/08/60/78/453086078.db2.gz MAMJGWGWGCCADQ-WCIQWLHISA-N 1 3 336.568 1.922 20 0 EDADHO CC[C@@H]([NH2+]C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000662383723 453093070 /nfs/dbraw/zinc/09/30/70/453093070.db2.gz MQRPSSWURKWHGX-MSOLQXFVSA-N 1 3 332.492 1.479 20 0 EDADHO CC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CCO1 ZINC000648488492 453109553 /nfs/dbraw/zinc/10/95/53/453109553.db2.gz XPRHGQNUEIDTRM-QYZOEREBSA-N 1 3 347.503 1.823 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000664453198 453109555 /nfs/dbraw/zinc/10/95/55/453109555.db2.gz XKORHAXJNRUZGI-SFHVURJKSA-N 1 3 346.475 1.811 20 0 EDADHO CN(C)Cc1cccc(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000664453198 453109560 /nfs/dbraw/zinc/10/95/60/453109560.db2.gz XKORHAXJNRUZGI-SFHVURJKSA-N 1 3 346.475 1.811 20 0 EDADHO Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664524868 453164285 /nfs/dbraw/zinc/16/42/85/453164285.db2.gz SBPOHCHWWLAZOI-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO Cc1cnccc1CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664524868 453164290 /nfs/dbraw/zinc/16/42/90/453164290.db2.gz SBPOHCHWWLAZOI-INIZCTEOSA-N 1 3 335.496 1.504 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000666906763 453230313 /nfs/dbraw/zinc/23/03/13/453230313.db2.gz AIDFETAVAQQKQX-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN)c3)CC[C@H]21 ZINC000666906763 453230319 /nfs/dbraw/zinc/23/03/19/453230319.db2.gz AIDFETAVAQQKQX-GDBMZVCRSA-N 1 3 330.432 1.027 20 0 EDADHO CC(C)[NH2+]C1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC000666973292 453289282 /nfs/dbraw/zinc/28/92/82/453289282.db2.gz TZJIKMNAHHXKGX-KRWDZBQOSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653123019 453316087 /nfs/dbraw/zinc/31/60/87/453316087.db2.gz LMKNDCHEHLYFQB-INIZCTEOSA-N 1 3 345.487 1.649 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593680 453320700 /nfs/dbraw/zinc/32/07/00/453320700.db2.gz QAPVQYDXQIKJBX-DEXNDLTESA-N 1 3 337.508 1.756 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593680 453320705 /nfs/dbraw/zinc/32/07/05/453320705.db2.gz QAPVQYDXQIKJBX-DEXNDLTESA-N 1 3 337.508 1.756 20 0 EDADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000653149015 453335979 /nfs/dbraw/zinc/33/59/79/453335979.db2.gz SVWWTNOOCYNCLX-LJQANCHMSA-N 1 3 346.519 1.433 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NCC1CCN(Cc2ccncc2)CC1 ZINC000662637948 453352832 /nfs/dbraw/zinc/35/28/32/453352832.db2.gz NEYJCUUGITZFHB-KRWDZBQOSA-N 1 3 348.516 1.505 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000667067784 453384128 /nfs/dbraw/zinc/38/41/28/453384128.db2.gz NCNSKHJOBNIADB-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667078562 453391093 /nfs/dbraw/zinc/39/10/93/453391093.db2.gz XNKKYQNZUISSAR-PBHICJAKSA-N 1 3 342.443 1.171 20 0 EDADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000667078562 453391105 /nfs/dbraw/zinc/39/11/05/453391105.db2.gz XNKKYQNZUISSAR-PBHICJAKSA-N 1 3 342.443 1.171 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651256282 453401333 /nfs/dbraw/zinc/40/13/33/453401333.db2.gz DLMCQVVOZIPVSI-RCCFBDPRSA-N 1 3 340.475 1.785 20 0 EDADHO Cn1nnnc1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651256282 453401340 /nfs/dbraw/zinc/40/13/40/453401340.db2.gz DLMCQVVOZIPVSI-RCCFBDPRSA-N 1 3 340.475 1.785 20 0 EDADHO C[C@H]1C[C@H](N2CCCC2)CN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142994 453435597 /nfs/dbraw/zinc/43/55/97/453435597.db2.gz SKCWZIDCPPZKDQ-BBRMVZONSA-N 1 3 330.432 1.169 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156089 453445490 /nfs/dbraw/zinc/44/54/90/453445490.db2.gz UMWXRELWKSWRGT-QGZVFWFLSA-N 1 3 344.463 1.829 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662733458 453459290 /nfs/dbraw/zinc/45/92/90/453459290.db2.gz KMHXTEFNOBBNCC-GJZGRUSLSA-N 1 3 334.468 1.197 20 0 EDADHO Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C3CCN(C)CC3)C1)CC2 ZINC000651322061 453469665 /nfs/dbraw/zinc/46/96/65/453469665.db2.gz BJHVPXVEMOGNFL-JKSUJKDBSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CC[N@H+](C3CCN(C)CC3)C1)CC2 ZINC000651322061 453469669 /nfs/dbraw/zinc/46/96/69/453469669.db2.gz BJHVPXVEMOGNFL-JKSUJKDBSA-N 1 3 345.491 1.039 20 0 EDADHO Cc1ncc2n1C[C@@H](C(=O)N[C@@H]1CCN(C3CC[NH+](C)CC3)C1)CC2 ZINC000651322061 453469675 /nfs/dbraw/zinc/46/96/75/453469675.db2.gz BJHVPXVEMOGNFL-JKSUJKDBSA-N 1 3 345.491 1.039 20 0 EDADHO CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662754583 453491349 /nfs/dbraw/zinc/49/13/49/453491349.db2.gz RIPVFFPLJVZJPA-SFHVURJKSA-N 1 3 344.503 1.433 20 0 EDADHO NC1(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000662846730 453568577 /nfs/dbraw/zinc/56/85/77/453568577.db2.gz UIIQVYCWIIKWGA-GOSISDBHSA-N 1 3 327.472 1.721 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000667338872 453569237 /nfs/dbraw/zinc/56/92/37/453569237.db2.gz TZMGLIJDNLSCRV-SFHVURJKSA-N 1 3 334.508 1.988 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662857466 453573238 /nfs/dbraw/zinc/57/32/38/453573238.db2.gz BJSBADSOSWQRIZ-KSZLIROESA-N 1 3 331.460 1.258 20 0 EDADHO COC1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000662859169 453573407 /nfs/dbraw/zinc/57/34/07/453573407.db2.gz OATAVWWSUPTHDA-UHFFFAOYSA-N 1 3 346.475 1.178 20 0 EDADHO O=C(CCC1CC[NH2+]CC1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857628 453573770 /nfs/dbraw/zinc/57/37/70/453573770.db2.gz BPMAVSRZENKLLK-LJQANCHMSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000662861160 453576737 /nfs/dbraw/zinc/57/67/37/453576737.db2.gz XXYWUYOODRJBHT-OLMNPRSZSA-N 1 3 331.460 1.258 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878026 453584369 /nfs/dbraw/zinc/58/43/69/453584369.db2.gz KPNJGVLBESQAQI-DZGCQCFKSA-N 1 3 343.349 1.828 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038772 453593782 /nfs/dbraw/zinc/59/37/82/453593782.db2.gz CHLKLEFATKGMQV-IRXDYDNUSA-N 1 3 332.448 1.953 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)C1 ZINC000659038772 453593785 /nfs/dbraw/zinc/59/37/85/453593785.db2.gz CHLKLEFATKGMQV-IRXDYDNUSA-N 1 3 332.448 1.953 20 0 EDADHO CN(C(=O)c1conc1C(C)(C)N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899136 453594110 /nfs/dbraw/zinc/59/41/10/453594110.db2.gz BVWYSNHMRPJJMP-AWEZNQCLSA-N 1 3 349.479 1.109 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNC(=O)c1ccc(Br)cn1 ZINC000665236165 453618739 /nfs/dbraw/zinc/61/87/39/453618739.db2.gz IRKNOFHSNLBEAD-PWSUYJOCSA-N 1 3 341.253 1.291 20 0 EDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236165 453618743 /nfs/dbraw/zinc/61/87/43/453618743.db2.gz IRKNOFHSNLBEAD-PWSUYJOCSA-N 1 3 341.253 1.291 20 0 EDADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)C[C@H]2COCCN2)cc1 ZINC000665255577 453627362 /nfs/dbraw/zinc/62/73/62/453627362.db2.gz XBIXRJANDRVRLU-CBVHJVASSA-N 1 3 333.476 1.497 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@H]2COCCN2)cc1 ZINC000665255577 453627363 /nfs/dbraw/zinc/62/73/63/453627363.db2.gz XBIXRJANDRVRLU-CBVHJVASSA-N 1 3 333.476 1.497 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660885956 453632902 /nfs/dbraw/zinc/63/29/02/453632902.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 1 3 334.508 1.890 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660885956 453632905 /nfs/dbraw/zinc/63/29/05/453632905.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 1 3 334.508 1.890 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCN2C(C)(C)C)CC1 ZINC000665363871 453667740 /nfs/dbraw/zinc/66/77/40/453667740.db2.gz DNPFXIMCRHELQL-OAHLLOKOSA-N 1 3 340.512 1.394 20 0 EDADHO N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1C[NH2+]C1 ZINC000659304303 453707809 /nfs/dbraw/zinc/70/78/09/453707809.db2.gz ADPHHKCELIBPDV-IBGZPJMESA-N 1 3 339.439 1.471 20 0 EDADHO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCCN2CCN(C(C)C)CC2)C1 ZINC000661216426 453762275 /nfs/dbraw/zinc/76/22/75/453762275.db2.gz RKYCCIPYWSXJJS-OTWHNJEPSA-N 1 3 341.540 1.558 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661352426 453798014 /nfs/dbraw/zinc/79/80/14/453798014.db2.gz UWYFHKAPXCTRPM-KRWDZBQOSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661352426 453798016 /nfs/dbraw/zinc/79/80/16/453798016.db2.gz UWYFHKAPXCTRPM-KRWDZBQOSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000683378022 486700874 /nfs/dbraw/zinc/70/08/74/486700874.db2.gz DJLRFQOFZOSPLM-DLBZAZTESA-N 1 3 340.512 1.659 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000417969589 486819243 /nfs/dbraw/zinc/81/92/43/486819243.db2.gz OMYGZVQFMWEYKH-JKSUJKDBSA-N 1 3 331.464 1.867 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000676698075 486845376 /nfs/dbraw/zinc/84/53/76/486845376.db2.gz LJEWVAVTWXYBTP-OALUTQOASA-N 1 3 348.535 1.632 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000676698075 486845378 /nfs/dbraw/zinc/84/53/78/486845378.db2.gz LJEWVAVTWXYBTP-OALUTQOASA-N 1 3 348.535 1.632 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684174858 486969239 /nfs/dbraw/zinc/96/92/39/486969239.db2.gz MVCRDLVEUGENCD-LJQANCHMSA-N 1 3 349.475 1.156 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)ccn1 ZINC000667822601 486982225 /nfs/dbraw/zinc/98/22/25/486982225.db2.gz NZQWCQHWKNTTQP-PKOBYXMFSA-N 1 3 330.476 1.751 20 0 EDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000684387864 487046581 /nfs/dbraw/zinc/04/65/81/487046581.db2.gz LKMCQNBHCVUXKP-OTWHNJEPSA-N 1 3 347.503 1.823 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000681764571 487161827 /nfs/dbraw/zinc/16/18/27/487161827.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 1 3 331.460 1.034 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000681764571 487161831 /nfs/dbraw/zinc/16/18/31/487161831.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 1 3 331.460 1.034 20 0 EDADHO CNS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000679326356 487415015 /nfs/dbraw/zinc/41/50/15/487415015.db2.gz UZVFCTCTRSKFBZ-WBVHZDCISA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326356 487415017 /nfs/dbraw/zinc/41/50/17/487415017.db2.gz UZVFCTCTRSKFBZ-WBVHZDCISA-N 1 3 339.505 1.426 20 0 EDADHO CNS(=O)(=O)CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679326356 487415020 /nfs/dbraw/zinc/41/50/20/487415020.db2.gz UZVFCTCTRSKFBZ-WBVHZDCISA-N 1 3 339.505 1.426 20 0 EDADHO CN(CCC(=O)N1CCCN(C[C@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407331 487422544 /nfs/dbraw/zinc/42/25/44/487422544.db2.gz KISZDYOESLTDMF-GOSISDBHSA-N 1 3 346.475 1.621 20 0 EDADHO CCN1CCN(CCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000679406600 487422551 /nfs/dbraw/zinc/42/25/51/487422551.db2.gz REQVXHFZYNHYSG-UHFFFAOYSA-N 1 3 333.480 1.052 20 0 EDADHO CN(CCC(=O)N1CCN(c2ccncc2)CC1)c1cc[nH+]cc1 ZINC000679405829 487422960 /nfs/dbraw/zinc/42/29/60/487422960.db2.gz CCESATYVOMGCGN-UHFFFAOYSA-N 1 3 325.416 1.652 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000668335008 485595421 /nfs/dbraw/zinc/59/54/21/485595421.db2.gz NNWFAULLHGJIKI-CYBMUJFWSA-N 1 3 338.496 1.012 20 0 EDADHO [NH3+]C1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000669573883 485609417 /nfs/dbraw/zinc/60/94/17/485609417.db2.gz BYDMRZAXNIFOFR-UHFFFAOYSA-N 1 3 348.413 1.972 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388795 486024464 /nfs/dbraw/zinc/02/44/64/486024464.db2.gz QLHBNOZVFVVXAR-IAGOWNOFSA-N 1 3 340.512 1.376 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000669418937 486137854 /nfs/dbraw/zinc/13/78/54/486137854.db2.gz IZKCZQWFGMTOLE-XIRDDKMYSA-N 1 3 334.464 1.355 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819659 486227585 /nfs/dbraw/zinc/22/75/85/486227585.db2.gz PNZCXSHFLPPJAP-MRXNPFEDSA-N 1 3 341.455 1.994 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819659 486227594 /nfs/dbraw/zinc/22/75/94/486227594.db2.gz PNZCXSHFLPPJAP-MRXNPFEDSA-N 1 3 341.455 1.994 20 0 EDADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000668819659 486227602 /nfs/dbraw/zinc/22/76/02/486227602.db2.gz PNZCXSHFLPPJAP-MRXNPFEDSA-N 1 3 341.455 1.994 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819658 486227706 /nfs/dbraw/zinc/22/77/06/486227706.db2.gz PNZCXSHFLPPJAP-INIZCTEOSA-N 1 3 341.455 1.994 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000668819658 486227712 /nfs/dbraw/zinc/22/77/12/486227712.db2.gz PNZCXSHFLPPJAP-INIZCTEOSA-N 1 3 341.455 1.994 20 0 EDADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000668819658 486227717 /nfs/dbraw/zinc/22/77/17/486227717.db2.gz PNZCXSHFLPPJAP-INIZCTEOSA-N 1 3 341.455 1.994 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669508719 486291635 /nfs/dbraw/zinc/29/16/35/486291635.db2.gz KXAIUUMOMFTQKQ-INIZCTEOSA-N 1 3 325.412 1.308 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000684141275 491013643 /nfs/dbraw/zinc/01/36/43/491013643.db2.gz WQKKXORDMGYILO-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000684141275 491013644 /nfs/dbraw/zinc/01/36/44/491013644.db2.gz WQKKXORDMGYILO-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000154896658 533841082 /nfs/dbraw/zinc/84/10/82/533841082.db2.gz MXIWUBGMUMOJLD-ROUUACIJSA-N 1 3 348.535 1.914 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccn(C)n1 ZINC000339655914 535592014 /nfs/dbraw/zinc/59/20/14/535592014.db2.gz WEMKHQZTMXKUKF-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccn(C)n1 ZINC000339655914 535592019 /nfs/dbraw/zinc/59/20/19/535592019.db2.gz WEMKHQZTMXKUKF-KRWDZBQOSA-N 1 3 335.496 1.227 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000236917210 535604473 /nfs/dbraw/zinc/60/44/73/535604473.db2.gz YKDYRZUHHQLLSP-SFHVURJKSA-N 1 3 333.476 1.913 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](N)c2ccc(C)cc2)CC1 ZINC000262662118 535705669 /nfs/dbraw/zinc/70/56/69/535705669.db2.gz OAPOXHYUNDJAON-FUHWJXTLSA-N 1 3 332.492 1.385 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262016088 535917267 /nfs/dbraw/zinc/91/72/67/535917267.db2.gz VQGSISVQLFDGIH-SFHVURJKSA-N 1 3 346.519 1.749 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978137 579495921 /nfs/dbraw/zinc/49/59/21/579495921.db2.gz DDYOMHJRMUZXIR-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1ccc(N(C)C)cc1 ZINC000730546581 578651813 /nfs/dbraw/zinc/65/18/13/578651813.db2.gz FLZCZBIDLXSDLH-OALUTQOASA-N 1 3 346.519 1.808 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826382 578659917 /nfs/dbraw/zinc/65/99/17/578659917.db2.gz XAYQAQBLGKPEFN-IXDOHACOSA-N 1 3 336.480 1.119 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605161 580124570 /nfs/dbraw/zinc/12/45/70/580124570.db2.gz DYFPNGYEKHOPKS-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605161 580124571 /nfs/dbraw/zinc/12/45/71/580124571.db2.gz DYFPNGYEKHOPKS-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086490 580158675 /nfs/dbraw/zinc/15/86/75/580158675.db2.gz MAAWQSBDSKAQGE-GOEBONIOSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000766086490 580158676 /nfs/dbraw/zinc/15/86/76/580158676.db2.gz MAAWQSBDSKAQGE-GOEBONIOSA-N 1 3 334.468 1.393 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000786764986 580678359 /nfs/dbraw/zinc/67/83/59/580678359.db2.gz GBMSIGQYRDEICF-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000891865880 590661881 /nfs/dbraw/zinc/66/18/81/590661881.db2.gz XFGHUOCWJHOWJV-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726743 /nfs/dbraw/zinc/72/67/43/590726743.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726747 /nfs/dbraw/zinc/72/67/47/590726747.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)NC[C@@H]2CNCCO2)C1)C1CCCC1 ZINC000892184028 590852310 /nfs/dbraw/zinc/85/23/10/590852310.db2.gz NTCDNIQXNLZBBW-HYVNUMGLSA-N 1 3 338.496 1.304 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211137 590865835 /nfs/dbraw/zinc/86/58/35/590865835.db2.gz IBSLCLYUMDFKCK-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)CN(C)C)C1 ZINC000892211137 590865836 /nfs/dbraw/zinc/86/58/36/590865836.db2.gz IBSLCLYUMDFKCK-WMZOPIPTSA-N 1 3 332.492 1.800 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000892210521 590866824 /nfs/dbraw/zinc/86/68/24/590866824.db2.gz MYAQTKOZZHOOLS-OAHLLOKOSA-N 1 3 339.443 1.961 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892273126 590905690 /nfs/dbraw/zinc/90/56/90/590905690.db2.gz GUAPQBUWBORSGB-MRXNPFEDSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CCCN(c2nccc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000892424833 591022246 /nfs/dbraw/zinc/02/22/46/591022246.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CCN1CCCN(c2nccc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000892424833 591022251 /nfs/dbraw/zinc/02/22/51/591022251.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529921 591060118 /nfs/dbraw/zinc/06/01/18/591060118.db2.gz FVLPMTXCMRKSFK-SQNIBIBYSA-N 1 3 328.460 1.573 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891455841 591078054 /nfs/dbraw/zinc/07/80/54/591078054.db2.gz HRVOLEMVZHCTGO-IRXDYDNUSA-N 1 3 346.475 1.663 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCCC1 ZINC000891510385 591099387 /nfs/dbraw/zinc/09/93/87/591099387.db2.gz VTGQHACGEQYKNY-HZPDHXFCSA-N 1 3 338.496 1.101 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538413 591113151 /nfs/dbraw/zinc/11/31/51/591113151.db2.gz XXDZKCWNVZWWCH-GJZGRUSLSA-N 1 3 326.485 1.175 20 0 EDADHO CCN1CC[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872404 591124111 /nfs/dbraw/zinc/12/41/11/591124111.db2.gz KMGGMFLFBUBWKS-JEJOPICUSA-N 1 3 331.460 1.851 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)CN1C1CC1 ZINC000891662286 591174138 /nfs/dbraw/zinc/17/41/38/591174138.db2.gz XXJRUWNMIVJGCA-CZUORRHYSA-N 1 3 328.460 1.757 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000892852530 591204277 /nfs/dbraw/zinc/20/42/77/591204277.db2.gz AIWLNQNHTCVYJH-UHFFFAOYSA-N 1 3 336.480 1.896 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N(CCOC)CC2CCN(C)CC2)CC1 ZINC000892934146 591229873 /nfs/dbraw/zinc/22/98/73/591229873.db2.gz BMDCPKSWAWYGFO-UHFFFAOYSA-N 1 3 340.512 1.600 20 0 EDADHO COC(=O)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000894253539 591249133 /nfs/dbraw/zinc/24/91/33/591249133.db2.gz KYJNDANODFPBMF-UHFFFAOYSA-N 1 3 333.476 1.897 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)CCCO1 ZINC000894447891 591314194 /nfs/dbraw/zinc/31/41/94/591314194.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCCN(C)C2)CCCO1 ZINC000894447891 591314196 /nfs/dbraw/zinc/31/41/96/591314196.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(C)(C)O1 ZINC000898647118 591457154 /nfs/dbraw/zinc/45/71/54/591457154.db2.gz PVZYVQNTGSYQTC-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000896626053 591553270 /nfs/dbraw/zinc/55/32/70/591553270.db2.gz KYYHCPSQPMPBBB-UHFFFAOYSA-N 1 3 337.508 1.678 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC3CC([NH+](C)C)C3)ccc2[nH]c1=O ZINC000897667287 591615505 /nfs/dbraw/zinc/61/55/05/591615505.db2.gz NDZAYYNHQRVUHE-UHFFFAOYSA-N 1 3 345.447 1.126 20 0 EDADHO C[N@H+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000895282116 591699972 /nfs/dbraw/zinc/69/99/72/591699972.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 1 3 338.496 1.101 20 0 EDADHO C[N@@H+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)C1CC1 ZINC000895282116 591699975 /nfs/dbraw/zinc/69/99/75/591699975.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 1 3 338.496 1.101 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)N(C)C)cc1 ZINC000900012852 591862866 /nfs/dbraw/zinc/86/28/66/591862866.db2.gz DEULKTAANYWKEQ-QUCCMNQESA-N 1 3 347.503 1.815 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000900012852 591862870 /nfs/dbraw/zinc/86/28/70/591862870.db2.gz DEULKTAANYWKEQ-QUCCMNQESA-N 1 3 347.503 1.815 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)C[C@]2(O)CCCN(C)C2)([NH+](C)C)C1 ZINC000900319929 591989645 /nfs/dbraw/zinc/98/96/45/591989645.db2.gz AVZQJBTVJCKIIX-KBAYOESNSA-N 1 3 325.497 1.460 20 0 EDADHO [NH3+]CCCC[C@@H](NC[C@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390378 591989909 /nfs/dbraw/zinc/98/99/09/591989909.db2.gz LHDRQDJVFZCPDK-XJKSGUPXSA-N 1 3 339.390 1.377 20 0 EDADHO c1cc(N[C@@H]2CCCOC2)nc(NCCCCC[NH+]2CCNCC2)n1 ZINC000900357987 591994059 /nfs/dbraw/zinc/99/40/59/591994059.db2.gz GJMXYYKIVDCWEC-MRXNPFEDSA-N 1 3 348.495 1.555 20 0 EDADHO [NH3+]C1CCC(N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000902458111 591999997 /nfs/dbraw/zinc/99/99/97/591999997.db2.gz TUTFWCXROMCIII-MCIGGMRASA-N 1 3 339.237 1.567 20 0 EDADHO O=c1cc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503400 592003452 /nfs/dbraw/zinc/00/34/52/592003452.db2.gz XJGIANFZDNFRTD-XUWVNRHRSA-N 1 3 331.464 1.661 20 0 EDADHO N=C(NOCc1cncc(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807733 592063723 /nfs/dbraw/zinc/06/37/23/592063723.db2.gz OXDWUTXTRAZKKA-QWHCGFSZSA-N 1 3 344.337 1.962 20 0 EDADHO N=C(NOCc1cncc(C(F)(F)F)c1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807733 592063725 /nfs/dbraw/zinc/06/37/25/592063725.db2.gz OXDWUTXTRAZKKA-QWHCGFSZSA-N 1 3 344.337 1.962 20 0 EDADHO CCO[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000903018081 592097039 /nfs/dbraw/zinc/09/70/39/592097039.db2.gz WZJVZAXBQFSBNN-ROUUACIJSA-N 1 3 339.524 1.720 20 0 EDADHO C[C@@H](C(=O)NC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510342 592190660 /nfs/dbraw/zinc/19/06/60/592190660.db2.gz HIKSUXQTPVTARG-ZYSHUDEJSA-N 1 3 348.535 1.724 20 0 EDADHO C[C@@H](C(=O)NC1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510342 592190662 /nfs/dbraw/zinc/19/06/62/592190662.db2.gz HIKSUXQTPVTARG-ZYSHUDEJSA-N 1 3 348.535 1.724 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)C1 ZINC000903513068 592191778 /nfs/dbraw/zinc/19/17/78/592191778.db2.gz PNXWELOKQOVPND-RWQQGDIJSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)C1 ZINC000903513068 592191779 /nfs/dbraw/zinc/19/17/79/592191779.db2.gz PNXWELOKQOVPND-RWQQGDIJSA-N 1 3 348.535 1.392 20 0 EDADHO c1cc(N2CCNCC2)oc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000904371285 592240243 /nfs/dbraw/zinc/24/02/43/592240243.db2.gz LRLPSMMTXCVIDV-SFHVURJKSA-N 1 3 326.444 1.836 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906670296 592251832 /nfs/dbraw/zinc/25/18/32/592251832.db2.gz LAYJACMLNOZPAJ-INIZCTEOSA-N 1 3 346.475 1.810 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252828 /nfs/dbraw/zinc/25/28/28/592252828.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252832 /nfs/dbraw/zinc/25/28/32/592252832.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 1 3 336.524 1.345 20 0 EDADHO Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432621 592254954 /nfs/dbraw/zinc/25/49/54/592254954.db2.gz DFXOXZPDQOTBQH-GJZGRUSLSA-N 1 3 336.505 1.513 20 0 EDADHO Cc1csc(C[C@@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432621 592254958 /nfs/dbraw/zinc/25/49/58/592254958.db2.gz DFXOXZPDQOTBQH-GJZGRUSLSA-N 1 3 336.505 1.513 20 0 EDADHO CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000906679547 592260970 /nfs/dbraw/zinc/26/09/70/592260970.db2.gz ULEOIWVMLRYOTM-HNNXBMFYSA-N 1 3 346.475 1.808 20 0 EDADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730781 592287436 /nfs/dbraw/zinc/28/74/36/592287436.db2.gz ZEBZBHPRFCWTIJ-QUCCMNQESA-N 1 3 345.487 1.979 20 0 EDADHO COC(=O)CCN(C[C@H]1CCCO1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753781 592297117 /nfs/dbraw/zinc/29/71/17/592297117.db2.gz YDCNMFTUJWECBW-HZPDHXFCSA-N 1 3 340.464 1.189 20 0 EDADHO C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCCC[C@H]1CN1CCOCC1 ZINC000903735874 592298859 /nfs/dbraw/zinc/29/88/59/592298859.db2.gz DVKGXFMGZHHEPT-ROUUACIJSA-N 1 3 337.508 1.332 20 0 EDADHO C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740143 592301147 /nfs/dbraw/zinc/30/11/47/592301147.db2.gz SEFWTWSBMCAXFN-HOTGVXAUSA-N 1 3 345.491 1.562 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)ccc1CN(C)C ZINC000906737496 592302528 /nfs/dbraw/zinc/30/25/28/592302528.db2.gz CWWLJHJTAATHCA-QGZVFWFLSA-N 1 3 346.475 1.644 20 0 EDADHO [NH3+]CC1(c2ccccc2)CCN(C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000903793872 592316972 /nfs/dbraw/zinc/31/69/72/592316972.db2.gz WLIISPHVECLDDS-MRXNPFEDSA-N 1 3 336.501 1.804 20 0 EDADHO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780802 592320449 /nfs/dbraw/zinc/32/04/49/592320449.db2.gz LVMRXLNUTHNDDI-MLHJIOFPSA-N 1 3 337.508 1.508 20 0 EDADHO Cc1nc(CC2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903786482 592322015 /nfs/dbraw/zinc/32/20/15/592322015.db2.gz JSTZTQNDLSSCHP-INIZCTEOSA-N 1 3 334.464 1.791 20 0 EDADHO O=S1(=O)CCCN1CCN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000903789482 592323155 /nfs/dbraw/zinc/32/31/55/592323155.db2.gz YDNZARZMNTYKMK-HNNXBMFYSA-N 1 3 329.510 1.124 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891092 592352391 /nfs/dbraw/zinc/35/23/91/592352391.db2.gz JNZIGQRIRQPLAJ-IEBWSBKVSA-N 1 3 349.523 1.033 20 0 EDADHO CN(CCCN(C)C(=O)C1CN(C)CC[N@H+](C)C1)Cc1ccco1 ZINC000908182512 592363912 /nfs/dbraw/zinc/36/39/12/592363912.db2.gz KOMPVDHFRGOVEZ-UHFFFAOYSA-N 1 3 336.480 1.053 20 0 EDADHO CN(CCCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)Cc1ccco1 ZINC000908182512 592363917 /nfs/dbraw/zinc/36/39/17/592363917.db2.gz KOMPVDHFRGOVEZ-UHFFFAOYSA-N 1 3 336.480 1.053 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893251 592366706 /nfs/dbraw/zinc/36/67/06/592366706.db2.gz TVEZNVFTPWFANT-IAGOWNOFSA-N 1 3 347.507 1.180 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cnn1C ZINC000903898743 592368281 /nfs/dbraw/zinc/36/82/81/592368281.db2.gz OKKGYCGJVPAKGF-LESCRADOSA-N 1 3 330.480 1.626 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905034502 592372905 /nfs/dbraw/zinc/37/29/05/592372905.db2.gz KLPLPRTWLRDMBP-GOSISDBHSA-N 1 3 341.446 1.930 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913973 592376065 /nfs/dbraw/zinc/37/60/65/592376065.db2.gz QYDMDMPSDIUQIU-CVEARBPZSA-N 1 3 330.480 1.459 20 0 EDADHO COc1ccc(OCCNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903920674 592376725 /nfs/dbraw/zinc/37/67/25/592376725.db2.gz KTHPACOLZBRLJD-AWEZNQCLSA-N 1 3 331.420 1.380 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCc2ccc(F)c(CN(C)C)c2)cnn1C ZINC000903924251 592379835 /nfs/dbraw/zinc/37/98/35/592379835.db2.gz AMYRFEUOMDAYKY-INIZCTEOSA-N 1 3 347.482 1.836 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](O)[C@H](C3CCCC3)C2)cnn1C ZINC000903930283 592382789 /nfs/dbraw/zinc/38/27/89/592382789.db2.gz WGXWDSNSJMLKPL-AYOQOUSVSA-N 1 3 334.508 1.719 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cnn1C ZINC000903930283 592382795 /nfs/dbraw/zinc/38/27/95/592382795.db2.gz WGXWDSNSJMLKPL-AYOQOUSVSA-N 1 3 334.508 1.719 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cnn1C ZINC000903930283 592382799 /nfs/dbraw/zinc/38/27/99/592382799.db2.gz WGXWDSNSJMLKPL-AYOQOUSVSA-N 1 3 334.508 1.719 20 0 EDADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC000905023303 592383336 /nfs/dbraw/zinc/38/33/36/592383336.db2.gz FXCQLLCAOCWTGN-RTBURBONSA-N 1 3 334.460 1.274 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933138 592385184 /nfs/dbraw/zinc/38/51/84/592385184.db2.gz YWUAPSSJJYLLRP-HKUYNNGSSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933138 592385188 /nfs/dbraw/zinc/38/51/88/592385188.db2.gz YWUAPSSJJYLLRP-HKUYNNGSSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cnn1C ZINC000903933138 592385194 /nfs/dbraw/zinc/38/51/94/592385194.db2.gz YWUAPSSJJYLLRP-HKUYNNGSSA-N 1 3 349.523 1.033 20 0 EDADHO CCN1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502905 592546110 /nfs/dbraw/zinc/54/61/10/592546110.db2.gz LWWOQGYUOZKPMJ-OBVSXPTNSA-N 1 3 328.497 1.232 20 0 EDADHO Cc1nccc(N2CC[C@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000905645254 592603477 /nfs/dbraw/zinc/60/34/77/592603477.db2.gz QWAZFCVDLOHMLL-NSHDSACASA-N 1 3 337.225 1.654 20 0 EDADHO CCOC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc1 ZINC000905701960 592615646 /nfs/dbraw/zinc/61/56/46/592615646.db2.gz ANHVBLJSGUVOGG-CALCHBBNSA-N 1 3 344.459 1.663 20 0 EDADHO CCOC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc1 ZINC000905701960 592615650 /nfs/dbraw/zinc/61/56/50/592615650.db2.gz ANHVBLJSGUVOGG-CALCHBBNSA-N 1 3 344.459 1.663 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000907780365 592792023 /nfs/dbraw/zinc/79/20/23/592792023.db2.gz BPMLRXCJISWIDC-IBGZPJMESA-N 1 3 344.459 1.820 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC000911666665 592974217 /nfs/dbraw/zinc/97/42/17/592974217.db2.gz ZZOVMTKRQNOTEC-INIZCTEOSA-N 1 3 341.411 1.607 20 0 EDADHO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc2c1OCCNC2 ZINC000911666665 592974218 /nfs/dbraw/zinc/97/42/18/592974218.db2.gz ZZOVMTKRQNOTEC-INIZCTEOSA-N 1 3 341.411 1.607 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000911811197 593015486 /nfs/dbraw/zinc/01/54/86/593015486.db2.gz RHMCXMZFMIQGIE-ZTFGCOKTSA-N 1 3 329.444 1.818 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(OCCN(C)C)cc1 ZINC000911869665 593024607 /nfs/dbraw/zinc/02/46/07/593024607.db2.gz ZMGMOOJHIBEJOX-SDMNGIDPSA-N 1 3 331.460 1.851 20 0 EDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817902651 593647423 /nfs/dbraw/zinc/64/74/23/593647423.db2.gz WIKFUEVJGSSXBB-CMPLNLGQSA-N 1 3 343.415 1.408 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@](O)(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167229 593676712 /nfs/dbraw/zinc/67/67/12/593676712.db2.gz RPDVWFKBHKJLAQ-RLFYNMQTSA-N 1 3 339.480 1.290 20 0 EDADHO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000819003808 593733432 /nfs/dbraw/zinc/73/34/32/593733432.db2.gz HIXYZEXAUZOUFR-PBHICJAKSA-N 1 3 337.439 1.345 20 0 EDADHO Cc1ccc([C@H](O)CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000819043345 593735166 /nfs/dbraw/zinc/73/51/66/593735166.db2.gz SHBBMEKBJRBPQL-GOSISDBHSA-N 1 3 333.476 1.561 20 0 EDADHO CN(C)CCOc1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000819491360 593756724 /nfs/dbraw/zinc/75/67/24/593756724.db2.gz DZTITYYYODOXDT-OAHLLOKOSA-N 1 3 325.428 1.633 20 0 EDADHO CN(C)CCOc1ccc(NC[C@@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000819491360 593756725 /nfs/dbraw/zinc/75/67/25/593756725.db2.gz DZTITYYYODOXDT-OAHLLOKOSA-N 1 3 325.428 1.633 20 0 EDADHO C[NH+]1CCC(OCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000819973382 593780383 /nfs/dbraw/zinc/78/03/83/593780383.db2.gz HFMHBESOMJVXRX-KRWDZBQOSA-N 1 3 347.459 1.303 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000821501618 593847744 /nfs/dbraw/zinc/84/77/44/593847744.db2.gz ZVXQZKOJAHWWMB-CQSZACIVSA-N 1 3 336.484 1.687 20 0 EDADHO CN(C)CCn1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1 ZINC000821501618 593847746 /nfs/dbraw/zinc/84/77/46/593847746.db2.gz ZVXQZKOJAHWWMB-CQSZACIVSA-N 1 3 336.484 1.687 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000829792343 594265361 /nfs/dbraw/zinc/26/53/61/594265361.db2.gz WTMAQPBZNMYIFA-HNNXBMFYSA-N 1 3 332.448 1.230 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139309 594350089 /nfs/dbraw/zinc/35/00/89/594350089.db2.gz PNSBOJZKRDAEGA-WBVHZDCISA-N 1 3 344.459 1.450 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)CCO2 ZINC000826628873 594543157 /nfs/dbraw/zinc/54/31/57/594543157.db2.gz GPOAHFKSEXHTHX-CVEARBPZSA-N 1 3 338.496 1.365 20 0 EDADHO CCO[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831756400 594700007 /nfs/dbraw/zinc/70/00/07/594700007.db2.gz HSHAZKCYCCVUDX-RBUKOAKNSA-N 1 3 347.503 1.982 20 0 EDADHO CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831756400 594700008 /nfs/dbraw/zinc/70/00/08/594700008.db2.gz HSHAZKCYCCVUDX-RBUKOAKNSA-N 1 3 347.503 1.982 20 0 EDADHO CCO[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)CN(C)C ZINC000831757389 594700067 /nfs/dbraw/zinc/70/00/67/594700067.db2.gz PIVAAPJJVHTUGM-IBGZPJMESA-N 1 3 347.503 1.982 20 0 EDADHO CCc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000841009515 594838648 /nfs/dbraw/zinc/83/86/48/594838648.db2.gz MULCNNTZLAPDDT-GOSISDBHSA-N 1 3 344.503 1.568 20 0 EDADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327208 594885535 /nfs/dbraw/zinc/88/55/35/594885535.db2.gz FBDWZYXCRFTKPG-JKSUJKDBSA-N 1 3 346.431 1.153 20 0 EDADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327208 594885536 /nfs/dbraw/zinc/88/55/36/594885536.db2.gz FBDWZYXCRFTKPG-JKSUJKDBSA-N 1 3 346.431 1.153 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000841790561 594953501 /nfs/dbraw/zinc/95/35/01/594953501.db2.gz FZNKPXQALZBCLE-XKQJLSEDSA-N 1 3 332.448 1.369 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841791465 594953605 /nfs/dbraw/zinc/95/36/05/594953605.db2.gz XJRWMCDHQMJJRY-ZACQAIPSSA-N 1 3 336.480 1.023 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847525 594964846 /nfs/dbraw/zinc/96/48/46/594964846.db2.gz PWRKBJSOYDBFMJ-GFCCVEGCSA-N 1 3 331.416 1.674 20 0 EDADHO COCCS(=O)(=O)CCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386298 595096726 /nfs/dbraw/zinc/09/67/26/595096726.db2.gz FJRCSDPFAFXDCX-HOTGVXAUSA-N 1 3 332.510 1.149 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514031 595124556 /nfs/dbraw/zinc/12/45/56/595124556.db2.gz ZIRWWYKCGQKBHO-MJGOQNOKSA-N 1 3 328.460 1.648 20 0 EDADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000837766384 595190743 /nfs/dbraw/zinc/19/07/43/595190743.db2.gz DLRZTKBBWQPNJS-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000844171986 595291038 /nfs/dbraw/zinc/29/10/38/595291038.db2.gz SPVRNLKGWCNPCA-DKIMLUQUSA-N 1 3 335.492 1.667 20 0 EDADHO CC[NH2+]CC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000844185584 595295921 /nfs/dbraw/zinc/29/59/21/595295921.db2.gz MSUDSTDQLUHTQV-UHFFFAOYSA-N 1 3 339.867 1.909 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000846726224 595308381 /nfs/dbraw/zinc/30/83/81/595308381.db2.gz SSEQNIANCSEEJM-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000846726224 595308384 /nfs/dbraw/zinc/30/83/84/595308384.db2.gz SSEQNIANCSEEJM-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1c(C)cccc1C ZINC000849066385 595477058 /nfs/dbraw/zinc/47/70/58/595477058.db2.gz DPEMMTAOXIBPLX-IAGOWNOFSA-N 1 3 348.491 1.641 20 0 EDADHO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)NC1CCN(Cc2ccccc2)CC1 ZINC000849100023 595481587 /nfs/dbraw/zinc/48/15/87/595481587.db2.gz PQGGOBYNBSVTPZ-AEFFLSMTSA-N 1 3 330.476 1.926 20 0 EDADHO [NH2+]=C(NCc1ccc(OCCN2CCCC2)cc1)N1CCOCC1 ZINC000849100720 595481787 /nfs/dbraw/zinc/48/17/87/595481787.db2.gz VSBRPZATAFPMHL-UHFFFAOYSA-N 1 3 332.448 1.518 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4C[C@]4(CO)C3)CC2)CC1 ZINC000847851719 595492892 /nfs/dbraw/zinc/49/28/92/595492892.db2.gz XDPMCUVWDGJALJ-QFBILLFUSA-N 1 3 335.492 1.024 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824876 595561383 /nfs/dbraw/zinc/56/13/83/595561383.db2.gz HGJCNSUFJDQDSH-SJORKVTESA-N 1 3 331.460 1.695 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852854859 595577122 /nfs/dbraw/zinc/57/71/22/595577122.db2.gz RPLPDPKPOVBQOZ-NVXWUHKLSA-N 1 3 346.431 1.052 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852857828 595579044 /nfs/dbraw/zinc/57/90/44/595579044.db2.gz HIQVBYAANFARKR-WMLDXEAASA-N 1 3 344.459 1.638 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852857828 595579046 /nfs/dbraw/zinc/57/90/46/595579046.db2.gz HIQVBYAANFARKR-WMLDXEAASA-N 1 3 344.459 1.638 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587596 /nfs/dbraw/zinc/58/75/96/595587596.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587600 /nfs/dbraw/zinc/58/76/00/595587600.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 1 3 349.523 1.692 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NCC2(N(C)C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599664 595589115 /nfs/dbraw/zinc/58/91/15/595589115.db2.gz BCGOVSDDTGQWRA-IRXDYDNUSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NCC2(N(C)C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599664 595589117 /nfs/dbraw/zinc/58/91/17/595589117.db2.gz BCGOVSDDTGQWRA-IRXDYDNUSA-N 1 3 347.507 1.444 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603185 595590089 /nfs/dbraw/zinc/59/00/89/595590089.db2.gz CUBZPFYTPMTVLD-ZGUYJTEBSA-N 1 3 347.507 1.444 20 0 EDADHO CN(C)C[C@@H]1COC2(CCCC2)CN1C(=S)NCCC[NH+](C)C ZINC000853051916 595650047 /nfs/dbraw/zinc/65/00/47/595650047.db2.gz UTEWSWQLYSBYQS-OAHLLOKOSA-N 1 3 342.553 1.388 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853097794 595664291 /nfs/dbraw/zinc/66/42/91/595664291.db2.gz FKBWAHKFROHGPW-HXUWFJFHSA-N 1 3 340.471 1.652 20 0 EDADHO C[C@H](CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000853741447 595868695 /nfs/dbraw/zinc/86/86/95/595868695.db2.gz ICXGHNBULFZZRO-ZBFHGGJFSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cccc(F)n1 ZINC000853886286 595911718 /nfs/dbraw/zinc/91/17/18/595911718.db2.gz QOOPQJHHDCFRHY-ZDUSSCGKSA-N 1 3 325.432 1.292 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cccc(F)n1 ZINC000853886286 595911720 /nfs/dbraw/zinc/91/17/20/595911720.db2.gz QOOPQJHHDCFRHY-ZDUSSCGKSA-N 1 3 325.432 1.292 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032745 /nfs/dbraw/zinc/03/27/45/596032745.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 1 3 346.475 1.511 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032749 /nfs/dbraw/zinc/03/27/49/596032749.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 1 3 346.475 1.511 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856948243 596122643 /nfs/dbraw/zinc/12/26/43/596122643.db2.gz GWEPIHMBPMVVSN-LBPRGKRZSA-N 1 3 339.311 1.705 20 0 EDADHO CCCN1CCC([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000866523370 596241193 /nfs/dbraw/zinc/24/11/93/596241193.db2.gz NKLDYMOJINQXIP-UHFFFAOYSA-N 1 3 344.459 1.702 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCC2SCCS2)C1 ZINC000866711832 596305032 /nfs/dbraw/zinc/30/50/32/596305032.db2.gz OWHILTBQZFWNGP-SDDRHHMPSA-N 1 3 329.491 1.050 20 0 EDADHO [NH3+]CCc1ccc(CNS(=O)(=O)CCCN2CCCC2)cc1 ZINC000866738278 596316163 /nfs/dbraw/zinc/31/61/63/596316163.db2.gz PBCZBVJSYOFHEM-UHFFFAOYSA-N 1 3 325.478 1.093 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867810319 596562954 /nfs/dbraw/zinc/56/29/54/596562954.db2.gz YLYARSGUBZRPMP-RDJZCZTQSA-N 1 3 337.489 1.463 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1 ZINC000867810319 596562955 /nfs/dbraw/zinc/56/29/55/596562955.db2.gz YLYARSGUBZRPMP-RDJZCZTQSA-N 1 3 337.489 1.463 20 0 EDADHO CN1CCC(O)(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865474054 596585328 /nfs/dbraw/zinc/58/53/28/596585328.db2.gz VQWLCNDIYBURGX-UHFFFAOYSA-N 1 3 331.460 1.469 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCCc2ccncc2)CC1 ZINC000863549766 596614529 /nfs/dbraw/zinc/61/45/29/596614529.db2.gz QRPLPRMWQWGWOC-DLBZAZTESA-N 1 3 330.432 1.271 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(CCCCC(F)(F)F)CC1 ZINC000863547191 596614657 /nfs/dbraw/zinc/61/46/57/596614657.db2.gz KNGJNGPGRQIWMB-OLZOCXBDSA-N 1 3 335.370 1.976 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237255 596740322 /nfs/dbraw/zinc/74/03/22/596740322.db2.gz CILKGRKVWBAIPX-RRQGHBQHSA-N 1 3 344.459 1.240 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868254953 596749612 /nfs/dbraw/zinc/74/96/12/596749612.db2.gz KGHQUHKMCHUBDX-HRCADAONSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000868290725 596769995 /nfs/dbraw/zinc/76/99/95/596769995.db2.gz VMXDCOBWUJWIKY-UHFFFAOYSA-N 1 3 330.432 1.169 20 0 EDADHO O=C1N[C@@H]2CN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145444 596810498 /nfs/dbraw/zinc/81/04/98/596810498.db2.gz SOISBKZVHOOGSN-PFPDTZPXSA-N 1 3 348.491 1.164 20 0 EDADHO Cn1c(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156457 596815889 /nfs/dbraw/zinc/81/58/89/596815889.db2.gz JXVFCZKGTBLWTJ-WMLDXEAASA-N 1 3 348.491 1.204 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC000875676288 596943524 /nfs/dbraw/zinc/94/35/24/596943524.db2.gz FRBNPCWYWCQEGG-SLTAFYQDSA-N 1 3 326.485 1.004 20 0 EDADHO COc1ccc([C@@H](N[C@H]2CCN(CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235113 597234720 /nfs/dbraw/zinc/23/47/20/597234720.db2.gz JHOONSUBDXXTGS-YTQUADARSA-N 1 3 347.503 1.923 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240583 /nfs/dbraw/zinc/24/05/83/597240583.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240584 /nfs/dbraw/zinc/24/05/84/597240584.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 1 3 342.487 1.997 20 0 EDADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000873267028 597243047 /nfs/dbraw/zinc/24/30/47/597243047.db2.gz VOBZZSBJDMDMKM-VBSBHUPXSA-N 1 3 347.503 1.538 20 0 EDADHO C[C@H](CCCC[NH3+])NCc1c(I)cnn1C ZINC000873277875 597246354 /nfs/dbraw/zinc/24/63/54/597246354.db2.gz WOOUXOHNDJPEJX-SECBINFHSA-N 1 3 336.221 1.632 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000873329238 597258243 /nfs/dbraw/zinc/25/82/43/597258243.db2.gz ULAUCYPRTMGGTF-HNNXBMFYSA-N 1 3 348.495 1.879 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000875240826 597348533 /nfs/dbraw/zinc/34/85/33/597348533.db2.gz SKANMOYKBXEZSG-OAHLLOKOSA-N 1 3 340.512 1.469 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000876897142 597375890 /nfs/dbraw/zinc/37/58/90/597375890.db2.gz QBQYZMYKTPBQTB-KZNAEPCWSA-N 1 3 345.487 1.767 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875346949 597393569 /nfs/dbraw/zinc/39/35/69/597393569.db2.gz TZUORMDQUUHJCX-QLFBSQMISA-N 1 3 326.485 1.004 20 0 EDADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cc(C2CC[NH2+]CC2)no1 ZINC000877341190 597495784 /nfs/dbraw/zinc/49/57/84/597495784.db2.gz VIUAHYRYPVVPLT-INIZCTEOSA-N 1 3 340.427 1.586 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878311424 597594612 /nfs/dbraw/zinc/59/46/12/597594612.db2.gz KZVNHBYQJNZKMW-GOSISDBHSA-N 1 3 339.524 1.530 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878311424 597594613 /nfs/dbraw/zinc/59/46/13/597594613.db2.gz KZVNHBYQJNZKMW-GOSISDBHSA-N 1 3 339.524 1.530 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882979862 597605390 /nfs/dbraw/zinc/60/53/90/597605390.db2.gz PNRNEUNCLKIXSJ-AWEZNQCLSA-N 1 3 333.432 1.749 20 0 EDADHO CN1CC[NH+](C2CCN(C[C@H](O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000879594579 597649752 /nfs/dbraw/zinc/64/97/52/597649752.db2.gz MXTLBWZWHMCQBU-UXHICEINSA-N 1 3 347.503 1.183 20 0 EDADHO CN1CCN(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000879597146 597651396 /nfs/dbraw/zinc/65/13/96/597651396.db2.gz VYVLTVVXYABRII-UHFFFAOYSA-N 1 3 325.497 1.820 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427272 597743560 /nfs/dbraw/zinc/74/35/60/597743560.db2.gz MTGPJRZFCKGJIM-JKSUJKDBSA-N 1 3 339.480 1.034 20 0 EDADHO CCOC(=O)c1sc([C@@H]2CCN(CCOCC[NH3+])C2)nc1C ZINC000883448664 597750847 /nfs/dbraw/zinc/75/08/47/597750847.db2.gz MSGFNPVNMJRHIX-GFCCVEGCSA-N 1 3 327.450 1.393 20 0 EDADHO CC(C)(O)[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](C(C)(C)O)C3)COC2)C1 ZINC000880148056 597857578 /nfs/dbraw/zinc/85/75/78/597857578.db2.gz PXLSAPLZUWLYSS-HOTGVXAUSA-N 1 3 340.508 1.189 20 0 EDADHO CC(C)(O)[C@H]1CCN(CC2(C[N@H+]3CC[C@H](C(C)(C)O)C3)COC2)C1 ZINC000880148056 597857579 /nfs/dbraw/zinc/85/75/79/597857579.db2.gz PXLSAPLZUWLYSS-HOTGVXAUSA-N 1 3 340.508 1.189 20 0 EDADHO C[NH+](C)CCn1c2cc(NC(=O)[C@@H](N)CC3CC3)ccc2oc1=O ZINC000884206355 598028431 /nfs/dbraw/zinc/02/84/31/598028431.db2.gz SKDPQFXBDNTNLL-ZDUSSCGKSA-N 1 3 332.404 1.222 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914335520 695360319 /nfs/dbraw/zinc/36/03/19/695360319.db2.gz OIOKRHSMNAAHOO-RDJZCZTQSA-N 1 3 343.537 1.464 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992926704 695457690 /nfs/dbraw/zinc/45/76/90/695457690.db2.gz QFTKVMDEYLMCQC-UHOSZYNNSA-N 1 3 345.487 1.571 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000915154166 695753126 /nfs/dbraw/zinc/75/31/26/695753126.db2.gz UTNUXFFDPOUKJE-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000940008425 700110313 /nfs/dbraw/zinc/11/03/13/700110313.db2.gz MUYKOJYTGJJCNI-OAHLLOKOSA-N 1 3 347.463 1.050 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCO ZINC000994493477 696933746 /nfs/dbraw/zinc/93/37/46/696933746.db2.gz DGLXBBJBWXTVQR-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCO ZINC000994493477 696933748 /nfs/dbraw/zinc/93/37/48/696933748.db2.gz DGLXBBJBWXTVQR-YJBOKZPZSA-N 1 3 333.476 1.713 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031666874 697452094 /nfs/dbraw/zinc/45/20/94/697452094.db2.gz SUKHQJHFCUXBMC-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921331137 697558297 /nfs/dbraw/zinc/55/82/97/697558297.db2.gz XIZBNDXJCZLRGY-UAGQMJEPSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136686 699223016 /nfs/dbraw/zinc/22/30/16/699223016.db2.gz BOXMZCVYWSCPTI-CVEARBPZSA-N 1 3 333.480 1.052 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136687 699223209 /nfs/dbraw/zinc/22/32/09/699223209.db2.gz BOXMZCVYWSCPTI-HOTGVXAUSA-N 1 3 333.480 1.052 20 0 EDADHO C[C@H](C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+]1CCCCCC1 ZINC000941596056 701587579 /nfs/dbraw/zinc/58/75/79/701587579.db2.gz VBTVEJPTGVQCNK-QGZVFWFLSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1NCc1cncc(F)c1 ZINC000939257041 699434192 /nfs/dbraw/zinc/43/41/92/699434192.db2.gz IULPSMULOPDVPG-KDOFPFPSSA-N 1 3 348.466 1.889 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810403 699958703 /nfs/dbraw/zinc/95/87/03/699958703.db2.gz MXBOQMCSBIBJRG-MAUKXSAKSA-N 1 3 347.507 1.541 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940142253 700269729 /nfs/dbraw/zinc/26/97/29/700269729.db2.gz MKJUSJWGOIEORK-INIZCTEOSA-N 1 3 348.495 1.160 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940142253 700269734 /nfs/dbraw/zinc/26/97/34/700269734.db2.gz MKJUSJWGOIEORK-INIZCTEOSA-N 1 3 348.495 1.160 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC000940329144 700508012 /nfs/dbraw/zinc/50/80/12/700508012.db2.gz QAWKAXQVNWTTLZ-PBHICJAKSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1C ZINC000940329144 700508013 /nfs/dbraw/zinc/50/80/13/700508013.db2.gz QAWKAXQVNWTTLZ-PBHICJAKSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000940329881 700509659 /nfs/dbraw/zinc/50/96/59/700509659.db2.gz ZEFUMMKYZOGIBG-HNNXBMFYSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000940355818 700517492 /nfs/dbraw/zinc/51/74/92/700517492.db2.gz BKYRNYRCKBQQHI-UHFFFAOYSA-N 1 3 330.436 1.165 20 0 EDADHO CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)CN2CCCC2)CC1 ZINC000940461641 700664938 /nfs/dbraw/zinc/66/49/38/700664938.db2.gz GONAOJZVPPDJDM-QFBILLFUSA-N 1 3 335.492 1.480 20 0 EDADHO Cc1nccnc1CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626127 700788324 /nfs/dbraw/zinc/78/83/24/700788324.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 1 3 345.491 1.596 20 0 EDADHO Cc1nccnc1CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626127 700788325 /nfs/dbraw/zinc/78/83/25/700788325.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999167553 706594535 /nfs/dbraw/zinc/59/45/35/706594535.db2.gz ASVFCIKUBREZKJ-QZTJIDSGSA-N 1 3 342.487 1.812 20 0 EDADHO CN(C)c1ccncc1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001032133499 701884967 /nfs/dbraw/zinc/88/49/67/701884967.db2.gz GPEYDJVETRABFN-UHFFFAOYSA-N 1 3 345.472 1.508 20 0 EDADHO Cc1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000999188591 706630019 /nfs/dbraw/zinc/63/00/19/706630019.db2.gz BSMBMSHOMYSBRK-IJEWVQPXSA-N 1 3 336.505 1.872 20 0 EDADHO Cc1cc(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)sn1 ZINC000999188591 706630021 /nfs/dbraw/zinc/63/00/21/706630021.db2.gz BSMBMSHOMYSBRK-IJEWVQPXSA-N 1 3 336.505 1.872 20 0 EDADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978032 701984230 /nfs/dbraw/zinc/98/42/30/701984230.db2.gz MRBQABVFDWEVFI-KXBFYZLASA-N 1 3 329.488 1.995 20 0 EDADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978032 701984233 /nfs/dbraw/zinc/98/42/33/701984233.db2.gz MRBQABVFDWEVFI-KXBFYZLASA-N 1 3 329.488 1.995 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3CCOCC3)C2)c1 ZINC001032207233 702117454 /nfs/dbraw/zinc/11/74/54/702117454.db2.gz INRXTWICMQXJIH-UHFFFAOYSA-N 1 3 345.487 1.836 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)N(C)C ZINC000995945179 702290642 /nfs/dbraw/zinc/29/06/42/702290642.db2.gz DNCUKIDWSJTOBS-HZPDHXFCSA-N 1 3 348.491 1.757 20 0 EDADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)N(C)C ZINC000995953413 702317358 /nfs/dbraw/zinc/31/73/58/702317358.db2.gz VHBHQBQCBJEJQN-CVEARBPZSA-N 1 3 336.455 1.888 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300652 702692347 /nfs/dbraw/zinc/69/23/47/702692347.db2.gz NYSBMIFPPZNSJR-ZBFHGGJFSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000996559872 702878334 /nfs/dbraw/zinc/87/83/34/702878334.db2.gz GMDGZBAHPJWQLE-QGZVFWFLSA-N 1 3 332.448 1.405 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616438 702923296 /nfs/dbraw/zinc/92/32/96/702923296.db2.gz SBGGSBRPVIJGNN-DOTOQJQBSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1cccnc1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996616438 702923298 /nfs/dbraw/zinc/92/32/98/702923298.db2.gz SBGGSBRPVIJGNN-DOTOQJQBSA-N 1 3 330.476 1.668 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996689233 702986560 /nfs/dbraw/zinc/98/65/60/702986560.db2.gz KJCOXFOASRSAHK-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996689233 702986563 /nfs/dbraw/zinc/98/65/63/702986563.db2.gz KJCOXFOASRSAHK-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)N(C)C ZINC000996713261 703008211 /nfs/dbraw/zinc/00/82/11/703008211.db2.gz RORXJEMMQWRRKE-QZTJIDSGSA-N 1 3 333.476 1.641 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996979180 703234641 /nfs/dbraw/zinc/23/46/41/703234641.db2.gz RMTFOICPASMCIQ-GOSISDBHSA-N 1 3 348.491 1.757 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)n1 ZINC000997000640 703257532 /nfs/dbraw/zinc/25/75/32/703257532.db2.gz RVOCLVKNDVTOME-MRXNPFEDSA-N 1 3 347.507 1.565 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997004799 703261931 /nfs/dbraw/zinc/26/19/31/703261931.db2.gz GTQBHAHMVHXRCY-HNNXBMFYSA-N 1 3 330.476 1.812 20 0 EDADHO C[C@H]1CC[C@@H](CN2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053108 703402432 /nfs/dbraw/zinc/40/24/32/703402432.db2.gz ORFUKDBAMIAXIU-KXBFYZLASA-N 1 3 345.487 1.977 20 0 EDADHO CCCc1nc(C)c(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997296797 703555480 /nfs/dbraw/zinc/55/54/80/703555480.db2.gz BZAIFYDFAUDZFT-HNNXBMFYSA-N 1 3 348.491 1.968 20 0 EDADHO CCCc1nc(C)c(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997296797 703555481 /nfs/dbraw/zinc/55/54/81/703555481.db2.gz BZAIFYDFAUDZFT-HNNXBMFYSA-N 1 3 348.491 1.968 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997356673 703587644 /nfs/dbraw/zinc/58/76/44/703587644.db2.gz LEQMWAXUTSWCLY-INIZCTEOSA-N 1 3 345.487 1.979 20 0 EDADHO CC(C)(C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)N1CCCCC1 ZINC000946592619 704230492 /nfs/dbraw/zinc/23/04/92/704230492.db2.gz SXTCJQLGDRSYNN-CALCHBBNSA-N 1 3 337.508 1.414 20 0 EDADHO CC(C)(C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1)N1CCCCC1 ZINC000946592619 704230495 /nfs/dbraw/zinc/23/04/95/704230495.db2.gz SXTCJQLGDRSYNN-CALCHBBNSA-N 1 3 337.508 1.414 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999308069 706808749 /nfs/dbraw/zinc/80/87/49/706808749.db2.gz OUHDNVDPAMXYPT-ZWKOTPCHSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cn(C)nc2C)C1 ZINC000999308069 706808751 /nfs/dbraw/zinc/80/87/51/706808751.db2.gz OUHDNVDPAMXYPT-ZWKOTPCHSA-N 1 3 347.507 1.684 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311012 /nfs/dbraw/zinc/31/10/12/704311012.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 1 3 347.503 1.430 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311015 /nfs/dbraw/zinc/31/10/15/704311015.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 1 3 347.503 1.430 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(CNCc2nccs2)CC1 ZINC000997784255 704687848 /nfs/dbraw/zinc/68/78/48/704687848.db2.gz NPUMIIFYWFXDHY-INIZCTEOSA-N 1 3 348.516 1.813 20 0 EDADHO C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028226 704955111 /nfs/dbraw/zinc/95/51/11/704955111.db2.gz GCGQFMGRXDBTGW-CRAIPNDOSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028226 704955114 /nfs/dbraw/zinc/95/51/14/704955114.db2.gz GCGQFMGRXDBTGW-CRAIPNDOSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000998041019 705230339 /nfs/dbraw/zinc/23/03/39/705230339.db2.gz ZJJFTEULLVOFOM-GOSISDBHSA-N 1 3 349.523 1.643 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)N(C)C ZINC000998044833 705240273 /nfs/dbraw/zinc/24/02/73/705240273.db2.gz ANPWFHMOCNVNMU-IAGOWNOFSA-N 1 3 325.497 1.437 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550478 705987101 /nfs/dbraw/zinc/98/71/01/705987101.db2.gz MGGYNTRWSHQBQU-LEOMRAHMSA-N 1 3 349.450 1.491 20 0 EDADHO CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC(NCc2cnnn2C)C1 ZINC000998768936 706209055 /nfs/dbraw/zinc/20/90/55/706209055.db2.gz GBQVBEDNQDUSNX-UHFFFAOYSA-N 1 3 348.495 1.159 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3conc3C)C2)CC[N@@H+]1C ZINC000998794885 706241706 /nfs/dbraw/zinc/24/17/06/706241706.db2.gz RXHCBGRVYBTUHK-SJJHQCBESA-N 1 3 334.464 1.792 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3conc3C)C2)CC[N@H+]1C ZINC000998794885 706241708 /nfs/dbraw/zinc/24/17/08/706241708.db2.gz RXHCBGRVYBTUHK-SJJHQCBESA-N 1 3 334.464 1.792 20 0 EDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999364348 706878326 /nfs/dbraw/zinc/87/83/26/706878326.db2.gz MPOPJIVIPKSZIN-QGZVFWFLSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cccnc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999367136 706880795 /nfs/dbraw/zinc/88/07/95/706880795.db2.gz DSDXHRWZSBMFOC-AEFFLSMTSA-N 1 3 330.476 1.811 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000999401922 706909597 /nfs/dbraw/zinc/90/95/97/706909597.db2.gz AYPSDTCYIYZQAB-UQPPLGOBSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccnc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC000999401922 706909599 /nfs/dbraw/zinc/90/95/99/706909599.db2.gz AYPSDTCYIYZQAB-UQPPLGOBSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC000999405357 706914324 /nfs/dbraw/zinc/91/43/24/706914324.db2.gz GNXHALSCQMVSNY-JEYLPNPQSA-N 1 3 347.463 1.049 20 0 EDADHO COc1ccc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC000999405357 706914325 /nfs/dbraw/zinc/91/43/25/706914325.db2.gz GNXHALSCQMVSNY-JEYLPNPQSA-N 1 3 347.463 1.049 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406167 706915382 /nfs/dbraw/zinc/91/53/82/706915382.db2.gz LNDSAVHBRZGBPM-XGNXJENSSA-N 1 3 337.493 1.410 20 0 EDADHO Cc1nnsc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406167 706915385 /nfs/dbraw/zinc/91/53/85/706915385.db2.gz LNDSAVHBRZGBPM-XGNXJENSSA-N 1 3 337.493 1.410 20 0 EDADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407530 706917012 /nfs/dbraw/zinc/91/70/12/706917012.db2.gz WSVCSOXHEYPTAX-JEYLPNPQSA-N 1 3 347.463 1.049 20 0 EDADHO COc1nccc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407530 706917013 /nfs/dbraw/zinc/91/70/13/706917013.db2.gz WSVCSOXHEYPTAX-JEYLPNPQSA-N 1 3 347.463 1.049 20 0 EDADHO Cc1noc(C)c1CN[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999435221 706942570 /nfs/dbraw/zinc/94/25/70/706942570.db2.gz QZDMUPQRPVXTGR-RDJZCZTQSA-N 1 3 336.480 1.958 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999572327 707078325 /nfs/dbraw/zinc/07/83/25/707078325.db2.gz CQWUVMAJYGASPX-SJLPKXTDSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999572327 707078329 /nfs/dbraw/zinc/07/83/29/707078329.db2.gz CQWUVMAJYGASPX-SJLPKXTDSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999572922 707079277 /nfs/dbraw/zinc/07/92/77/707079277.db2.gz GGJXRKYRQFJDDC-ZWKOTPCHSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999572922 707079278 /nfs/dbraw/zinc/07/92/78/707079278.db2.gz GGJXRKYRQFJDDC-ZWKOTPCHSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122224 /nfs/dbraw/zinc/12/22/24/707122224.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 1 3 347.503 1.430 20 0 EDADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122227 /nfs/dbraw/zinc/12/22/27/707122227.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 1 3 347.503 1.430 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1)N(C)C ZINC000946784789 707315214 /nfs/dbraw/zinc/31/52/14/707315214.db2.gz UIYSJJBQRWQPEH-KSZLIROESA-N 1 3 347.507 1.394 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1)N(C)C ZINC000946784789 707315217 /nfs/dbraw/zinc/31/52/17/707315217.db2.gz UIYSJJBQRWQPEH-KSZLIROESA-N 1 3 347.507 1.394 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946800552 707451084 /nfs/dbraw/zinc/45/10/84/707451084.db2.gz DUXQIVCAFVPUHC-IYBDPMFKSA-N 1 3 342.447 1.019 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946800552 707451087 /nfs/dbraw/zinc/45/10/87/707451087.db2.gz DUXQIVCAFVPUHC-IYBDPMFKSA-N 1 3 342.447 1.019 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946808711 707507676 /nfs/dbraw/zinc/50/76/76/707507676.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 1 3 337.508 1.412 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946808711 707507679 /nfs/dbraw/zinc/50/76/79/707507679.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 1 3 337.508 1.412 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185113 708112433 /nfs/dbraw/zinc/11/24/33/708112433.db2.gz PWUIBYIYZHNYQZ-ZWKOTPCHSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001005406839 708936540 /nfs/dbraw/zinc/93/65/40/708936540.db2.gz HJAVRGAMVOUJTP-CRAIPNDOSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCOC3CCC3)CC2)CC[N@H+]1C ZINC001005406839 708936542 /nfs/dbraw/zinc/93/65/42/708936542.db2.gz HJAVRGAMVOUJTP-CRAIPNDOSA-N 1 3 337.508 1.819 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906362 709036397 /nfs/dbraw/zinc/03/63/97/709036397.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 1 3 349.519 1.819 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033906362 709036401 /nfs/dbraw/zinc/03/64/01/709036401.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 1 3 349.519 1.819 20 0 EDADHO O=C(N[C@H]1CCCCN(CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212972 709564244 /nfs/dbraw/zinc/56/42/44/709564244.db2.gz SMYIGDSWPKTRRQ-ZWKOTPCHSA-N 1 3 345.491 1.196 20 0 EDADHO COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340463 709803831 /nfs/dbraw/zinc/80/38/31/709803831.db2.gz NWVOJELLJAZGIQ-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034340463 709803837 /nfs/dbraw/zinc/80/38/37/709803837.db2.gz NWVOJELLJAZGIQ-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423030868 710170176 /nfs/dbraw/zinc/17/01/76/710170176.db2.gz KBBFZKUXBXFGAX-NVXWUHKLSA-N 1 3 347.503 1.995 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000423030868 710170178 /nfs/dbraw/zinc/17/01/78/710170178.db2.gz KBBFZKUXBXFGAX-NVXWUHKLSA-N 1 3 347.503 1.995 20 0 EDADHO CCn1cc(CC[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC001003627620 710457666 /nfs/dbraw/zinc/45/76/66/710457666.db2.gz HKYWAYXSUYEOSJ-MRXNPFEDSA-N 1 3 347.507 1.510 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034775720 711049433 /nfs/dbraw/zinc/04/94/33/711049433.db2.gz HHJIDQNMANIZCR-ULQDDVLXSA-N 1 3 347.507 1.762 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034775720 711049436 /nfs/dbraw/zinc/04/94/36/711049436.db2.gz HHJIDQNMANIZCR-ULQDDVLXSA-N 1 3 347.507 1.762 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034779131 711083380 /nfs/dbraw/zinc/08/33/80/711083380.db2.gz RBZYBDCAUPXXDO-BZUAXINKSA-N 1 3 333.480 1.279 20 0 EDADHO Cn1ccc(CN[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034779131 711083381 /nfs/dbraw/zinc/08/33/81/711083381.db2.gz RBZYBDCAUPXXDO-BZUAXINKSA-N 1 3 333.480 1.279 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001034786355 711090876 /nfs/dbraw/zinc/09/08/76/711090876.db2.gz NDTGXKHRGZAUHJ-QCEMKRCNSA-N 1 3 334.464 1.845 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034797394 711131524 /nfs/dbraw/zinc/13/15/24/711131524.db2.gz ZBORPXDNAALOMK-KPOQHDDYSA-N 1 3 347.507 1.810 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387802 711428077 /nfs/dbraw/zinc/42/80/77/711428077.db2.gz BAVGCSGFPHEBAJ-LGWLGOQQSA-N 1 3 342.434 1.927 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cn(C)nc1C(F)F)C2 ZINC000922387802 711428081 /nfs/dbraw/zinc/42/80/81/711428081.db2.gz BAVGCSGFPHEBAJ-LGWLGOQQSA-N 1 3 342.434 1.927 20 0 EDADHO COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)ccn1 ZINC001034957698 711429999 /nfs/dbraw/zinc/42/99/99/711429999.db2.gz FMCLYNFDIQGXRT-QGZVFWFLSA-N 1 3 346.475 1.655 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623779 711925395 /nfs/dbraw/zinc/92/53/95/711925395.db2.gz QTZMUTARBKUDGH-DZJNRPSUSA-N 1 3 337.508 1.532 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623779 711925397 /nfs/dbraw/zinc/92/53/97/711925397.db2.gz QTZMUTARBKUDGH-DZJNRPSUSA-N 1 3 337.508 1.532 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433343812 539558454 /nfs/dbraw/zinc/55/84/54/539558454.db2.gz PJCUJUHNYVVQFM-CVEARBPZSA-N 1 3 328.501 1.517 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108446 290823019 /nfs/dbraw/zinc/82/30/19/290823019.db2.gz RJMQYNXKTUTYOS-QFWMXSHPSA-N 1 3 336.402 1.699 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)NCC1CC[NH2+]CC1 ZINC000561204038 306284608 /nfs/dbraw/zinc/28/46/08/306284608.db2.gz CYGPDTXDLPARHV-UHFFFAOYSA-N 1 3 336.455 1.899 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333946228 539661891 /nfs/dbraw/zinc/66/18/91/539661891.db2.gz UKAGNBMGDSPSLP-GJZGRUSLSA-N 1 3 340.537 1.788 20 0 EDADHO CCN(CC)C[C@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000342980092 539769526 /nfs/dbraw/zinc/76/95/26/539769526.db2.gz WZJNMYUWVRWIOK-ZDUSSCGKSA-N 1 3 340.512 1.258 20 0 EDADHO CC[C@@H](C)[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114949612 138310868 /nfs/dbraw/zinc/31/08/68/138310868.db2.gz AMFSVOPBJYMTNW-RHSMWYFYSA-N 1 3 340.512 1.251 20 0 EDADHO CN(CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000563872280 306350846 /nfs/dbraw/zinc/35/08/46/306350846.db2.gz LCPJUGMDOUJQDI-INIZCTEOSA-N 1 3 346.475 1.525 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)c(F)c1 ZINC000565207404 306378352 /nfs/dbraw/zinc/37/83/52/306378352.db2.gz ILYHYTRGQKREPT-UHFFFAOYSA-N 1 3 333.411 1.898 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000565301711 306381274 /nfs/dbraw/zinc/38/12/74/306381274.db2.gz LIDAWQKVKMNGNP-UHFFFAOYSA-N 1 3 348.491 1.834 20 0 EDADHO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195176 304105419 /nfs/dbraw/zinc/10/54/19/304105419.db2.gz NUKIZCRRHCDYKH-QZTJIDSGSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@]1(C)CCCO1 ZINC000414195387 304105451 /nfs/dbraw/zinc/10/54/51/304105451.db2.gz OAMCOTOBZBXNKW-IRXDYDNUSA-N 1 3 325.497 1.330 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414484120 304118572 /nfs/dbraw/zinc/11/85/72/304118572.db2.gz NRMOBKQXJBXRIL-UHFFFAOYSA-N 1 3 349.523 1.659 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000414694176 304128508 /nfs/dbraw/zinc/12/85/08/304128508.db2.gz DDGYOUCAEVZZKL-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO COCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1 ZINC000414705916 304130345 /nfs/dbraw/zinc/13/03/45/304130345.db2.gz OAQKWDOINKBQAJ-IAGOWNOFSA-N 1 3 333.476 1.893 20 0 EDADHO COCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H](C)c1ccccc1 ZINC000414705916 304130347 /nfs/dbraw/zinc/13/03/47/304130347.db2.gz OAQKWDOINKBQAJ-IAGOWNOFSA-N 1 3 333.476 1.893 20 0 EDADHO COc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC000414710741 304131254 /nfs/dbraw/zinc/13/12/54/304131254.db2.gz SLZQVUCHLMXBPO-AWEZNQCLSA-N 1 3 335.448 1.333 20 0 EDADHO COc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC000414710741 304131256 /nfs/dbraw/zinc/13/12/56/304131256.db2.gz SLZQVUCHLMXBPO-AWEZNQCLSA-N 1 3 335.448 1.333 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712686 304131863 /nfs/dbraw/zinc/13/18/63/304131863.db2.gz NVWMXZVHTLOCOD-PKOBYXMFSA-N 1 3 345.487 1.457 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712686 304131864 /nfs/dbraw/zinc/13/18/64/304131864.db2.gz NVWMXZVHTLOCOD-PKOBYXMFSA-N 1 3 345.487 1.457 20 0 EDADHO COc1cc(CNCCCN2CC[NH2+]CC2)c(SC)cc1OC ZINC000414780165 304139846 /nfs/dbraw/zinc/13/98/46/304139846.db2.gz KTUNAKUOMXSIJY-UHFFFAOYSA-N 1 3 339.505 1.811 20 0 EDADHO COC(=O)c1ccc(Cl)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414782439 304140175 /nfs/dbraw/zinc/14/01/75/304140175.db2.gz OWHGOKACVPOQIC-UHFFFAOYSA-N 1 3 325.840 1.512 20 0 EDADHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415102770 304160154 /nfs/dbraw/zinc/16/01/54/304160154.db2.gz JSXXNADKXNCRFJ-OLZOCXBDSA-N 1 3 325.403 1.855 20 0 EDADHO CN1CCN(CCCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237203121 139044175 /nfs/dbraw/zinc/04/41/75/139044175.db2.gz GGTQEYBWUONFNA-RTBURBONSA-N 1 3 344.503 1.624 20 0 EDADHO COCC[NH2+]CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237309463 139047342 /nfs/dbraw/zinc/04/73/42/139047342.db2.gz ROMARKRREBVMCH-INIZCTEOSA-N 1 3 337.439 1.390 20 0 EDADHO C[C@H](C[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)N1CCN(C)CC1 ZINC000127461526 205101576 /nfs/dbraw/zinc/10/15/76/205101576.db2.gz AONPGJGXEBZBOH-MSOLQXFVSA-N 1 3 348.535 1.914 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000238056340 139067783 /nfs/dbraw/zinc/06/77/83/139067783.db2.gz AHFHMLWXQHACHF-IAGOWNOFSA-N 1 3 333.501 1.862 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866158 220214968 /nfs/dbraw/zinc/21/49/68/220214968.db2.gz QFLJQQARJCOYCK-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415239421 304177739 /nfs/dbraw/zinc/17/77/39/304177739.db2.gz OFMCPUBUMNKWEA-ZDUSSCGKSA-N 1 3 332.448 1.465 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415239421 304177741 /nfs/dbraw/zinc/17/77/41/304177741.db2.gz OFMCPUBUMNKWEA-ZDUSSCGKSA-N 1 3 332.448 1.465 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NCCN2CCCC2(C)C)cc1 ZINC000415294040 304187971 /nfs/dbraw/zinc/18/79/71/304187971.db2.gz KAPJSSVNBFZHPE-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000246426895 139107878 /nfs/dbraw/zinc/10/78/78/139107878.db2.gz MTGUQYHPDKSKKX-MUJYYYPQSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000333379198 296243455 /nfs/dbraw/zinc/24/34/55/296243455.db2.gz NKAARJLQLJCVEV-JYJNAYRXSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000247251194 139142392 /nfs/dbraw/zinc/14/23/92/139142392.db2.gz ZSUQGHCUYOFRKC-IXYNUQLISA-N 1 3 336.432 1.473 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000247251194 139142393 /nfs/dbraw/zinc/14/23/93/139142393.db2.gz ZSUQGHCUYOFRKC-IXYNUQLISA-N 1 3 336.432 1.473 20 0 EDADHO CCCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000415390929 304212091 /nfs/dbraw/zinc/21/20/91/304212091.db2.gz KVWBAFASOIQOPG-INIZCTEOSA-N 1 3 346.475 1.596 20 0 EDADHO [NH3+]CC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000261537767 139208649 /nfs/dbraw/zinc/20/86/49/139208649.db2.gz XARSUNFCDQIXPF-UHFFFAOYSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CN1Cc1ccccc1 ZINC000261613963 139211048 /nfs/dbraw/zinc/21/10/48/139211048.db2.gz BOCWOFGZJSXNKB-ZTFGCOKTSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000262109372 139251509 /nfs/dbraw/zinc/25/15/09/139251509.db2.gz FHEUTJKVSHMXLX-CVEARBPZSA-N 1 3 333.480 1.198 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000416833254 251112571 /nfs/dbraw/zinc/11/25/71/251112571.db2.gz CKRLBOFMPVPDOM-IAGOWNOFSA-N 1 3 334.464 1.221 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417754925 251256214 /nfs/dbraw/zinc/25/62/14/251256214.db2.gz QJSCRQTVFJUKGD-CVEARBPZSA-N 1 3 327.517 1.077 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2CCN[C@H](C)[C@@H]2C)CC1 ZINC000417811149 251278874 /nfs/dbraw/zinc/27/88/74/251278874.db2.gz OGXMIPDLODJFSF-CABCVRRESA-N 1 3 326.485 1.268 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CN1Cc1ccccc1 ZINC000417886785 251314559 /nfs/dbraw/zinc/31/45/59/251314559.db2.gz ZFPIYKMVNOGPFU-SNPRPXQTSA-N 1 3 340.418 1.931 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417992123 251319771 /nfs/dbraw/zinc/31/97/71/251319771.db2.gz LURFNMRSYBZANL-ZTFGCOKTSA-N 1 3 346.475 1.050 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418108470 251324874 /nfs/dbraw/zinc/32/48/74/251324874.db2.gz RMBSZDLMXGKUQT-WMZOPIPTSA-N 1 3 330.476 1.807 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000418109377 251325353 /nfs/dbraw/zinc/32/53/53/251325353.db2.gz CMYJGRMSIWUJRE-MRXNPFEDSA-N 1 3 338.496 1.543 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418160246 251349515 /nfs/dbraw/zinc/34/95/15/251349515.db2.gz DZTGSSAWUIXBHG-CQSZACIVSA-N 1 3 334.464 1.696 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000418165026 251351126 /nfs/dbraw/zinc/35/11/26/251351126.db2.gz IHDJUYPGOZRNKY-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CN(C)C)cc1 ZINC000418202090 251356650 /nfs/dbraw/zinc/35/66/50/251356650.db2.gz IMDBKZUTQUNBAB-XKQJLSEDSA-N 1 3 334.464 1.390 20 0 EDADHO C[NH+](C)CCOC1CCN(C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418406090 251365472 /nfs/dbraw/zinc/36/54/72/251365472.db2.gz BQWGOOIDLBUJQU-KRWDZBQOSA-N 1 3 334.464 1.439 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418688291 251386257 /nfs/dbraw/zinc/38/62/57/251386257.db2.gz MYBWHLOHOYYUAI-NJAFHUGGSA-N 1 3 348.491 1.296 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000262677968 139295535 /nfs/dbraw/zinc/29/55/35/139295535.db2.gz UXVBUOOKSISBKN-INIZCTEOSA-N 1 3 344.459 1.465 20 0 EDADHO Cc1cccc(N2CC[NH+](CCC(=O)N3CCN[C@H](C)[C@@H]3C)CC2)c1 ZINC000262835574 139306924 /nfs/dbraw/zinc/30/69/24/139306924.db2.gz WFNXOWGZKVISJO-MSOLQXFVSA-N 1 3 344.503 1.716 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262854026 139308271 /nfs/dbraw/zinc/30/82/71/139308271.db2.gz VRGGJPUIFBRGTQ-OWCLPIDISA-N 1 3 333.480 1.658 20 0 EDADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423043868 252027232 /nfs/dbraw/zinc/02/72/32/252027232.db2.gz AESIOSZDWNIGNL-IRXDYDNUSA-N 1 3 337.489 1.976 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051765 252125662 /nfs/dbraw/zinc/12/56/62/252125662.db2.gz KWYNDOMMDGONHD-UHFFFAOYSA-N 1 3 342.487 1.553 20 0 EDADHO CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000424154770 252146631 /nfs/dbraw/zinc/14/66/31/252146631.db2.gz LXLRPAWBRGQDSF-HIFRSBDPSA-N 1 3 331.464 1.196 20 0 EDADHO COC(=O)CC1CC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000424277981 252188476 /nfs/dbraw/zinc/18/84/76/252188476.db2.gz HNCOAJUKZJCKRY-IUPXNIOVSA-N 1 3 332.444 1.685 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415649531 304247570 /nfs/dbraw/zinc/24/75/70/304247570.db2.gz AKPBPWQNYYOFMT-PBHICJAKSA-N 1 3 346.475 1.724 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000570150857 306531381 /nfs/dbraw/zinc/53/13/81/306531381.db2.gz AFVFWQZMYJKFFC-HNNXBMFYSA-N 1 3 334.468 1.537 20 0 EDADHO CCN1CCCN(c2cc(N3CCC[N@H+](CC)CC3)ncn2)CC1 ZINC000157723293 285227180 /nfs/dbraw/zinc/22/71/80/285227180.db2.gz GBLLVMYFAMROHP-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CCN1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)ncn2)CC1 ZINC000157723293 285227182 /nfs/dbraw/zinc/22/71/82/285227182.db2.gz GBLLVMYFAMROHP-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000357763391 285246046 /nfs/dbraw/zinc/24/60/46/285246046.db2.gz RNNDHBOIIZBDJT-XHSDSOJGSA-N 1 3 342.553 1.795 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000357763391 285246049 /nfs/dbraw/zinc/24/60/49/285246049.db2.gz RNNDHBOIIZBDJT-XHSDSOJGSA-N 1 3 342.553 1.795 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493935518 255227249 /nfs/dbraw/zinc/22/72/49/255227249.db2.gz ILFYIDUNOHDVHY-IBGZPJMESA-N 1 3 347.503 1.360 20 0 EDADHO O=C(C[C@H]1CNCCO1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000296036747 258012113 /nfs/dbraw/zinc/01/21/13/258012113.db2.gz ARFYJTGNZNZKAB-HOTGVXAUSA-N 1 3 349.500 1.597 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000415928142 304285829 /nfs/dbraw/zinc/28/58/29/304285829.db2.gz FIKIGSGZTUJZRY-MRXNPFEDSA-N 1 3 334.464 1.764 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000270561029 140123878 /nfs/dbraw/zinc/12/38/78/140123878.db2.gz SXOXFTLNQKFXJY-DLBZAZTESA-N 1 3 346.475 1.188 20 0 EDADHO Cn1nnc2cc(CN3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc21 ZINC000333180535 141276823 /nfs/dbraw/zinc/27/68/23/141276823.db2.gz RULKLTNOBFEXMA-MAUKXSAKSA-N 1 3 329.448 1.687 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339619927 142097181 /nfs/dbraw/zinc/09/71/81/142097181.db2.gz JULXXDAJJQXCIM-OAHLLOKOSA-N 1 3 340.512 1.214 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000339619927 142097182 /nfs/dbraw/zinc/09/71/82/142097182.db2.gz JULXXDAJJQXCIM-OAHLLOKOSA-N 1 3 340.512 1.214 20 0 EDADHO CCN1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344307 143194214 /nfs/dbraw/zinc/19/42/14/143194214.db2.gz DASOVIVZNLCQRM-HZPDHXFCSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346933207 143263141 /nfs/dbraw/zinc/26/31/41/143263141.db2.gz DCIJJDIEHINBKE-IYBDPMFKSA-N 1 3 325.497 1.724 20 0 EDADHO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000347014864 143271554 /nfs/dbraw/zinc/27/15/54/143271554.db2.gz AFDATSAYTFTDRU-UHFFFAOYSA-N 1 3 347.793 1.805 20 0 EDADHO CCOCc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061099 143277556 /nfs/dbraw/zinc/27/75/56/143277556.db2.gz YLEKQRWANHTGEH-INIZCTEOSA-N 1 3 349.475 1.519 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cccc3c2OCCCO3)C1 ZINC000347183430 143292193 /nfs/dbraw/zinc/29/21/93/143292193.db2.gz XAJDEZKIQUFXSH-HNNXBMFYSA-N 1 3 333.432 1.135 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])N2CCCC2)c1 ZINC000416842806 304351108 /nfs/dbraw/zinc/35/11/08/304351108.db2.gz KCIQLQUPLCGNMK-RHSMWYFYSA-N 1 3 334.464 1.869 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000416842254 304350626 /nfs/dbraw/zinc/35/06/26/304350626.db2.gz MYZCQIFLTDSLPI-FGTMMUONSA-N 1 3 332.492 1.976 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000417030997 304363013 /nfs/dbraw/zinc/36/30/13/304363013.db2.gz PXPYWTDNWOEZLA-YJBOKZPZSA-N 1 3 330.476 1.861 20 0 EDADHO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000357926917 151199050 /nfs/dbraw/zinc/19/90/50/151199050.db2.gz KPIMINGKLWANIO-HBFSDRIKSA-N 1 3 343.471 1.224 20 0 EDADHO CN1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000358254776 151318323 /nfs/dbraw/zinc/31/83/23/151318323.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 1 3 329.488 1.838 20 0 EDADHO O=c1cc(CN2CCC3(C2)CC[NH2+]CC3)nc2ccc(Cl)cn12 ZINC000358498492 151396126 /nfs/dbraw/zinc/39/61/26/151396126.db2.gz CKRDOUGOCPMMPL-UHFFFAOYSA-N 1 3 332.835 1.923 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC2CC[NH+](C)CC2)CCSC1 ZINC000360756550 152189191 /nfs/dbraw/zinc/18/91/91/152189191.db2.gz VEMQGMSQBUYQPC-INIZCTEOSA-N 1 3 328.526 1.407 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417178417 304381164 /nfs/dbraw/zinc/38/11/64/304381164.db2.gz DPFACIKYLOZMDU-ZIAGYGMSSA-N 1 3 328.407 1.441 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417182791 304381589 /nfs/dbraw/zinc/38/15/89/304381589.db2.gz JKDXUIFQZJZHSF-QZTJIDSGSA-N 1 3 332.492 1.930 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004173 153120187 /nfs/dbraw/zinc/12/01/87/153120187.db2.gz RZDPZWPCILLWCQ-MDZRGWNJSA-N 1 3 337.508 1.948 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172462 286417046 /nfs/dbraw/zinc/41/70/46/286417046.db2.gz RLUAKMLOQGUYDL-HLIPFELVSA-N 1 3 347.503 1.808 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000371819081 156120807 /nfs/dbraw/zinc/12/08/07/156120807.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000371819081 156120809 /nfs/dbraw/zinc/12/08/09/156120809.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO C[C@@H]1CN(C[C@](C)(O)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372333711 156339028 /nfs/dbraw/zinc/33/90/28/156339028.db2.gz SAFDERRVNPQRPA-RLLQIKCJSA-N 1 3 331.504 1.852 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378203418 158107608 /nfs/dbraw/zinc/10/76/08/158107608.db2.gz QURZIYYAGPLXNO-IRXDYDNUSA-N 1 3 338.540 1.816 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204040 158107885 /nfs/dbraw/zinc/10/78/85/158107885.db2.gz KNDWCKAREVVARA-ZACQAIPSSA-N 1 3 325.497 1.901 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000378528706 158201250 /nfs/dbraw/zinc/20/12/50/158201250.db2.gz AMVNADBUEFSBCJ-KRWDZBQOSA-N 1 3 325.497 1.020 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCN1CCC(O)(CN2CCOCC2)CC1 ZINC000378528706 158201253 /nfs/dbraw/zinc/20/12/53/158201253.db2.gz AMVNADBUEFSBCJ-KRWDZBQOSA-N 1 3 325.497 1.020 20 0 EDADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000378528706 158201255 /nfs/dbraw/zinc/20/12/55/158201255.db2.gz AMVNADBUEFSBCJ-KRWDZBQOSA-N 1 3 325.497 1.020 20 0 EDADHO CCN(C[C@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186207 162038594 /nfs/dbraw/zinc/03/85/94/162038594.db2.gz JWPBRHUOXSNPRE-IRXDYDNUSA-N 1 3 347.503 1.858 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173044 /nfs/dbraw/zinc/17/30/44/162173044.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 1 3 344.459 1.286 20 0 EDADHO CNC(=O)NC(=O)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173046 /nfs/dbraw/zinc/17/30/46/162173046.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 1 3 344.459 1.286 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384571 /nfs/dbraw/zinc/38/45/71/162384571.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384573 /nfs/dbraw/zinc/38/45/73/162384573.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418175851 304459945 /nfs/dbraw/zinc/45/99/45/304459945.db2.gz WCQWUMLPUNUPDK-KBPBESRZSA-N 1 3 334.464 1.695 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344309 287353586 /nfs/dbraw/zinc/35/35/86/287353586.db2.gz XPGIHMNGNXRLDN-CABCVRRESA-N 1 3 333.480 1.349 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124358357 287397660 /nfs/dbraw/zinc/39/76/60/287397660.db2.gz YCQIQXQNCVBONP-UHFFFAOYSA-N 1 3 346.475 1.549 20 0 EDADHO C[C@@H](C1CC1)n1nccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133673179 287542803 /nfs/dbraw/zinc/54/28/03/287542803.db2.gz ADKLJGGKFNPMTH-AWEZNQCLSA-N 1 3 336.484 1.811 20 0 EDADHO C[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000237402182 273009772 /nfs/dbraw/zinc/00/97/72/273009772.db2.gz AULKMUFPLCKJLV-IEBWSBKVSA-N 1 3 344.503 1.785 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261749316 273017260 /nfs/dbraw/zinc/01/72/60/273017260.db2.gz LAUGCEXQPVODNL-PKOBYXMFSA-N 1 3 345.487 1.721 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)C1CCOCC1 ZINC000261749316 273017262 /nfs/dbraw/zinc/01/72/62/273017262.db2.gz LAUGCEXQPVODNL-PKOBYXMFSA-N 1 3 345.487 1.721 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000276688991 268462289 /nfs/dbraw/zinc/46/22/89/268462289.db2.gz UYLOQALSVBLKAL-DZOHQFGASA-N 1 3 331.460 1.221 20 0 EDADHO C[C@@H](Cn1cccn1)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000273977382 273063956 /nfs/dbraw/zinc/06/39/56/273063956.db2.gz HIFBCQHOBSXQHC-RDJZCZTQSA-N 1 3 329.448 1.280 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186724597 272946587 /nfs/dbraw/zinc/94/65/87/272946587.db2.gz DQKHTYMNIISSRE-HKUYNNGSSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000276137528 273151798 /nfs/dbraw/zinc/15/17/98/273151798.db2.gz YSHGBISRSKYUKQ-LLYBFZRZSA-N 1 3 336.505 1.850 20 0 EDADHO CC[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1)N(C)C ZINC000246240193 287733846 /nfs/dbraw/zinc/73/38/46/287733846.db2.gz XKSOQCVXJPMFIR-KLHDSHLOSA-N 1 3 340.512 1.210 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365085338 276123099 /nfs/dbraw/zinc/12/30/99/276123099.db2.gz DOCKERNMPQNDQF-IAGOWNOFSA-N 1 3 338.496 1.367 20 0 EDADHO CC[N@H+](CCNC(=O)NCc1ccccc1OCCN(C)C)C1CC1 ZINC000263752182 276127345 /nfs/dbraw/zinc/12/73/45/276127345.db2.gz QCMAVFJYNHSQFF-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@@H+](CCNC(=O)NCc1ccccc1OCCN(C)C)C1CC1 ZINC000263752182 276127346 /nfs/dbraw/zinc/12/73/46/276127346.db2.gz QCMAVFJYNHSQFF-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000362385233 276334447 /nfs/dbraw/zinc/33/44/47/276334447.db2.gz VADGQWLRQYESED-MRXNPFEDSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023942 278246645 /nfs/dbraw/zinc/24/66/45/278246645.db2.gz PSYVLJRVTKDJKQ-FUHWJXTLSA-N 1 3 347.507 1.354 20 0 EDADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418745008 278315380 /nfs/dbraw/zinc/31/53/80/278315380.db2.gz GAHDKZGJHXHVIE-ZDUSSCGKSA-N 1 3 332.439 1.747 20 0 EDADHO COC(=O)c1ccc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)nc1 ZINC000286631908 288050837 /nfs/dbraw/zinc/05/08/37/288050837.db2.gz ZJRZSVBIQWGSJN-AWEZNQCLSA-N 1 3 335.448 1.393 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCOCC1 ZINC000174151814 279328964 /nfs/dbraw/zinc/32/89/64/279328964.db2.gz WGLDPCXHRIYECP-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCOCC1 ZINC000174151814 279328965 /nfs/dbraw/zinc/32/89/65/279328965.db2.gz WGLDPCXHRIYECP-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358116078 279367401 /nfs/dbraw/zinc/36/74/01/279367401.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 1 3 327.517 1.040 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000358116078 279367404 /nfs/dbraw/zinc/36/74/04/279367404.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 1 3 327.517 1.040 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCC(=O)NC)CC1 ZINC000093718003 279374961 /nfs/dbraw/zinc/37/49/61/279374961.db2.gz XKKJNDJUJGHTIK-UHFFFAOYSA-N 1 3 332.492 1.787 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCC(=O)NC)CC1 ZINC000093718003 279374963 /nfs/dbraw/zinc/37/49/63/279374963.db2.gz XKKJNDJUJGHTIK-UHFFFAOYSA-N 1 3 332.492 1.787 20 0 EDADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344979 288215125 /nfs/dbraw/zinc/21/51/25/288215125.db2.gz GNNOGYAZYHQTEZ-AWEZNQCLSA-N 1 3 346.475 1.694 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000345073202 288217426 /nfs/dbraw/zinc/21/74/26/288217426.db2.gz MDXKKLSRARROKU-QRQLOZEOSA-N 1 3 345.487 1.544 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000345073202 288217428 /nfs/dbraw/zinc/21/74/28/288217428.db2.gz MDXKKLSRARROKU-QRQLOZEOSA-N 1 3 345.487 1.544 20 0 EDADHO COCC[N@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287491229 288249452 /nfs/dbraw/zinc/24/94/52/288249452.db2.gz XOKSLSUWQVWVMQ-INIZCTEOSA-N 1 3 340.443 1.306 20 0 EDADHO COCC[N@@H+](C)CCNC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000287491229 288249453 /nfs/dbraw/zinc/24/94/53/288249453.db2.gz XOKSLSUWQVWVMQ-INIZCTEOSA-N 1 3 340.443 1.306 20 0 EDADHO CCN(C)CCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000287586841 288271743 /nfs/dbraw/zinc/27/17/43/288271743.db2.gz VZABZCNDTWHYHN-UHFFFAOYSA-N 1 3 343.475 1.793 20 0 EDADHO COC1(CNCc2ccncc2OCCC[NH+](C)C)CCOCC1 ZINC000288486407 288497699 /nfs/dbraw/zinc/49/76/99/288497699.db2.gz GZRFOZDUZZWLQQ-UHFFFAOYSA-N 1 3 337.464 1.697 20 0 EDADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000291880324 289204436 /nfs/dbraw/zinc/20/44/36/289204436.db2.gz GYRUSHPNJVMHJM-GOSISDBHSA-N 1 3 343.475 1.653 20 0 EDADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnnn1Cc1ccccc1 ZINC000291880324 289204438 /nfs/dbraw/zinc/20/44/38/289204438.db2.gz GYRUSHPNJVMHJM-GOSISDBHSA-N 1 3 343.475 1.653 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050460 289248936 /nfs/dbraw/zinc/24/89/36/289248936.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292050460 289248938 /nfs/dbraw/zinc/24/89/38/289248938.db2.gz BMAIWJLYYNUODI-QUCCMNQESA-N 1 3 344.503 1.433 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000487524651 289356808 /nfs/dbraw/zinc/35/68/08/289356808.db2.gz XXAIFOJDMSHPSE-ICSRJNTNSA-N 1 3 344.503 1.897 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000487524651 289356814 /nfs/dbraw/zinc/35/68/14/289356814.db2.gz XXAIFOJDMSHPSE-ICSRJNTNSA-N 1 3 344.503 1.897 20 0 EDADHO CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664280791 452962719 /nfs/dbraw/zinc/96/27/19/452962719.db2.gz IOMKIVAOHTYPMJ-RLFYNMQTSA-N 1 3 342.528 1.761 20 0 EDADHO CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664280791 452962727 /nfs/dbraw/zinc/96/27/27/452962727.db2.gz IOMKIVAOHTYPMJ-RLFYNMQTSA-N 1 3 342.528 1.761 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000656285251 453012388 /nfs/dbraw/zinc/01/23/88/453012388.db2.gz VJLIDLRZEANEEC-HNNXBMFYSA-N 1 3 328.501 1.326 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000419641116 447313608 /nfs/dbraw/zinc/31/36/08/447313608.db2.gz FCFGZHWEKOEOJW-GOEBONIOSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000420476599 304763462 /nfs/dbraw/zinc/76/34/62/304763462.db2.gz IPAGQUYVNRTLSP-UKRRQHHQSA-N 1 3 325.478 1.354 20 0 EDADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293681549 303002845 /nfs/dbraw/zinc/00/28/45/303002845.db2.gz VPLWWZDMINZUGM-SFHVURJKSA-N 1 3 325.472 1.544 20 0 EDADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293681549 303002848 /nfs/dbraw/zinc/00/28/48/303002848.db2.gz VPLWWZDMINZUGM-SFHVURJKSA-N 1 3 325.472 1.544 20 0 EDADHO CCOC(=O)c1cc(CNCC2(O)CC[NH+](C(C)C)CC2)[nH]c1C ZINC000295759908 303262893 /nfs/dbraw/zinc/26/28/93/303262893.db2.gz QCAQBVYNCDWPGL-UHFFFAOYSA-N 1 3 337.464 1.825 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(F)F ZINC000417670560 303384490 /nfs/dbraw/zinc/38/44/90/303384490.db2.gz OWNBJFLKTTYUEX-LSDHHAIUSA-N 1 3 340.418 1.933 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000304221379 303749970 /nfs/dbraw/zinc/74/99/70/303749970.db2.gz IYDWFTZOMHLRMN-GOSISDBHSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506860 303859244 /nfs/dbraw/zinc/85/92/44/303859244.db2.gz KFVPCERAJBGILP-HUUCEWRRSA-N 1 3 341.496 1.678 20 0 EDADHO CCO[C@H]1C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793329 303915070 /nfs/dbraw/zinc/91/50/70/303915070.db2.gz INJZFGPHXXYZAL-SJORKVTESA-N 1 3 337.508 1.913 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccnc2OCC)CC[NH2+]CC1 ZINC000422965291 304881637 /nfs/dbraw/zinc/88/16/37/304881637.db2.gz OJUXDJDXXGRHSY-AWEZNQCLSA-N 1 3 335.448 1.891 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000423895785 304914222 /nfs/dbraw/zinc/91/42/22/304914222.db2.gz NJXNIYIMRKPXEY-SQNIBIBYSA-N 1 3 347.459 1.455 20 0 EDADHO C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCCCCC1 ZINC000424039386 304925990 /nfs/dbraw/zinc/92/59/90/304925990.db2.gz OCZMJMYWPQUARE-BBWFWOEESA-N 1 3 335.492 1.478 20 0 EDADHO COCCN1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428928928 305020121 /nfs/dbraw/zinc/02/01/21/305020121.db2.gz LSIXBKIDDQTDNT-UHFFFAOYSA-N 1 3 338.496 1.271 20 0 EDADHO CCC1(CC)[C@H]([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C[C@H]1OC ZINC000429288528 305027806 /nfs/dbraw/zinc/02/78/06/305027806.db2.gz WLQHXAVOVQJCJH-IAGOWNOFSA-N 1 3 337.508 1.913 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430707821 305062989 /nfs/dbraw/zinc/06/29/89/305062989.db2.gz HOMYMZKAAOJIHL-JKSUJKDBSA-N 1 3 325.497 1.772 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430707821 305062990 /nfs/dbraw/zinc/06/29/90/305062990.db2.gz HOMYMZKAAOJIHL-JKSUJKDBSA-N 1 3 325.497 1.772 20 0 EDADHO Cc1c(C(=O)NC[C@H](C)N2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742238 305063769 /nfs/dbraw/zinc/06/37/69/305063769.db2.gz KYJNZQYTQPOTBG-KGLIPLIRSA-N 1 3 348.495 1.504 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430746502 305064035 /nfs/dbraw/zinc/06/40/35/305064035.db2.gz HNQUOYJCFHTJGX-HNNXBMFYSA-N 1 3 331.460 1.523 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430746502 305064036 /nfs/dbraw/zinc/06/40/36/305064036.db2.gz HNQUOYJCFHTJGX-HNNXBMFYSA-N 1 3 331.460 1.523 20 0 EDADHO Cc1cccc(OCCCNC(=O)CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034800 305073436 /nfs/dbraw/zinc/07/34/36/305073436.db2.gz AALBLEQQDQXDLP-UHFFFAOYSA-N 1 3 345.487 1.956 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104717 /nfs/dbraw/zinc/10/47/17/305104717.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 1 3 349.523 1.993 20 0 EDADHO CCCN(C)CC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104718 /nfs/dbraw/zinc/10/47/18/305104718.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 1 3 349.523 1.993 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316715 305105521 /nfs/dbraw/zinc/10/55/21/305105521.db2.gz BCQMDTOFDPTSOZ-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433356623 305106278 /nfs/dbraw/zinc/10/62/78/305106278.db2.gz SRYSPDHGMRBPPL-IBGZPJMESA-N 1 3 346.519 1.775 20 0 EDADHO CN(C)C1(CNC(=O)C[C@@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC000434876416 305132168 /nfs/dbraw/zinc/13/21/68/305132168.db2.gz JSVXEKKTAVHHPL-MRXNPFEDSA-N 1 3 333.501 1.297 20 0 EDADHO CC(C)N(C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435569186 305142535 /nfs/dbraw/zinc/14/25/35/305142535.db2.gz JDDJEOZKYIBDEO-CQSZACIVSA-N 1 3 336.505 1.954 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440820646 305212994 /nfs/dbraw/zinc/21/29/94/305212994.db2.gz GRJNQOPJDTWQKM-LBPRGKRZSA-N 1 3 333.402 1.792 20 0 EDADHO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000441237229 305219365 /nfs/dbraw/zinc/21/93/65/305219365.db2.gz WGRMGYKJVQOHIH-KSZLIROESA-N 1 3 333.476 1.953 20 0 EDADHO COCCNC(=O)[C@@H]1CC[C@H](C)N(CCC[NH+]2CCCCC2)C1 ZINC000444588555 305251191 /nfs/dbraw/zinc/25/11/91/305251191.db2.gz DMGCJTZSGKNSEF-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449532713 305313098 /nfs/dbraw/zinc/31/30/98/305313098.db2.gz IYQQNYCRGULVOR-GASCZTMLSA-N 1 3 329.448 1.463 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000449532713 305313099 /nfs/dbraw/zinc/31/30/99/305313099.db2.gz IYQQNYCRGULVOR-GASCZTMLSA-N 1 3 329.448 1.463 20 0 EDADHO CC[C@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545954811 306088389 /nfs/dbraw/zinc/08/83/89/306088389.db2.gz SLNWTXPLSIWHCP-IRXDYDNUSA-N 1 3 327.513 1.924 20 0 EDADHO COC[C@@]1(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CCCN1 ZINC000414949818 447370393 /nfs/dbraw/zinc/37/03/93/447370393.db2.gz DHYDKMGYQWRBRE-KUHUBIRLSA-N 1 3 345.443 1.419 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707192 447387297 /nfs/dbraw/zinc/38/72/97/447387297.db2.gz CXOCQYWAIBNJNK-FUHWJXTLSA-N 1 3 349.450 1.532 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000458501820 447390903 /nfs/dbraw/zinc/39/09/03/447390903.db2.gz JIXWHZNKGBRXHL-HOCLYGCPSA-N 1 3 328.526 1.548 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000458501820 447390907 /nfs/dbraw/zinc/39/09/07/447390907.db2.gz JIXWHZNKGBRXHL-HOCLYGCPSA-N 1 3 328.526 1.548 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000108541088 441461554 /nfs/dbraw/zinc/46/15/54/441461554.db2.gz FJRRXXYXNOKPLU-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000108541088 441461556 /nfs/dbraw/zinc/46/15/56/441461556.db2.gz FJRRXXYXNOKPLU-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN(CCOC)CCOC)CC1 ZINC000158223157 441708480 /nfs/dbraw/zinc/70/84/80/441708480.db2.gz YWHLKOCOCXSNBS-UHFFFAOYSA-N 1 3 335.492 1.923 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+](CCOC)CCOC)CC1 ZINC000158223157 441708487 /nfs/dbraw/zinc/70/84/87/441708487.db2.gz YWHLKOCOCXSNBS-UHFFFAOYSA-N 1 3 335.492 1.923 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000173398481 441734164 /nfs/dbraw/zinc/73/41/64/441734164.db2.gz MFXCFSFQNCLRKQ-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000173398481 441734168 /nfs/dbraw/zinc/73/41/68/441734168.db2.gz MFXCFSFQNCLRKQ-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)NC1CCN(C2CC2)CC1 ZINC000068299174 441771233 /nfs/dbraw/zinc/77/12/33/441771233.db2.gz GGQXUBKMUJOMDV-GOSISDBHSA-N 1 3 334.508 1.290 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000079126337 442023643 /nfs/dbraw/zinc/02/36/43/442023643.db2.gz KFFIUOMNTBZWHT-IAGOWNOFSA-N 1 3 341.544 1.288 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126474652 442115335 /nfs/dbraw/zinc/11/53/35/442115335.db2.gz AZVCGGJHXRXMNN-YESZJQIVSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126474652 442115338 /nfs/dbraw/zinc/11/53/38/442115338.db2.gz AZVCGGJHXRXMNN-YESZJQIVSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126697411 442135928 /nfs/dbraw/zinc/13/59/28/442135928.db2.gz PIXGWKIDTCKYMO-PXNSSMCTSA-N 1 3 330.520 1.864 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)C2(OC)CC[NH2+]CC2)N(C)C)cc1 ZINC000163603320 442175265 /nfs/dbraw/zinc/17/52/65/442175265.db2.gz HHVMMNQHZJCSLW-QGZVFWFLSA-N 1 3 333.476 1.737 20 0 EDADHO CCCC[C@@H](N)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154550746 442345388 /nfs/dbraw/zinc/34/53/88/442345388.db2.gz NNBBTVTXMXPLEH-CYBMUJFWSA-N 1 3 334.420 1.612 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CCN1C ZINC000155152370 442378650 /nfs/dbraw/zinc/37/86/50/442378650.db2.gz JWVGTWQPTYQUQS-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@@H+]1C ZINC000155152370 442378652 /nfs/dbraw/zinc/37/86/52/442378652.db2.gz JWVGTWQPTYQUQS-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO C[C@H]1C[C@@H](NCc2cccc(OCCN3CCOCC3)c2)CC[N@H+]1C ZINC000155152370 442378654 /nfs/dbraw/zinc/37/86/54/442378654.db2.gz JWVGTWQPTYQUQS-HKUYNNGSSA-N 1 3 347.503 1.970 20 0 EDADHO COC(=O)[C@]1(C)CCN([C@@H](C)CC[N@@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425037 /nfs/dbraw/zinc/42/50/37/442425037.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 1 3 340.464 1.535 20 0 EDADHO COC(=O)[C@]1(C)CCN([C@@H](C)CC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425040 /nfs/dbraw/zinc/42/50/40/442425040.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 1 3 340.464 1.535 20 0 EDADHO O=C1[C@H](N2CCN(CC3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000178973014 442542357 /nfs/dbraw/zinc/54/23/57/442542357.db2.gz YKXFNBCSBKAULY-LJQANCHMSA-N 1 3 342.487 1.409 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000179853284 442512559 /nfs/dbraw/zinc/51/25/59/442512559.db2.gz KRWSBMMMZIXYGV-YJBOKZPZSA-N 1 3 333.476 1.628 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000187345101 442671229 /nfs/dbraw/zinc/67/12/29/442671229.db2.gz KCKUNUDKWVYTIJ-HNNXBMFYSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000188158711 442718547 /nfs/dbraw/zinc/71/85/47/442718547.db2.gz WWWDEWPBPOINOF-MJGOQNOKSA-N 1 3 333.476 1.422 20 0 EDADHO CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000188158711 442718548 /nfs/dbraw/zinc/71/85/48/442718548.db2.gz WWWDEWPBPOINOF-MJGOQNOKSA-N 1 3 333.476 1.422 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268002845 442813492 /nfs/dbraw/zinc/81/34/92/442813492.db2.gz NWNAYHAFIAXCFO-DLBZAZTESA-N 1 3 334.464 1.980 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268002845 442813493 /nfs/dbraw/zinc/81/34/93/442813493.db2.gz NWNAYHAFIAXCFO-DLBZAZTESA-N 1 3 334.464 1.980 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000247135905 442837296 /nfs/dbraw/zinc/83/72/96/442837296.db2.gz VWNCHKCPPCWXAK-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000247135905 442837298 /nfs/dbraw/zinc/83/72/98/442837298.db2.gz VWNCHKCPPCWXAK-KSZLIROESA-N 1 3 327.513 1.434 20 0 EDADHO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000183160471 442892213 /nfs/dbraw/zinc/89/22/13/442892213.db2.gz DBHOHKIBVSZREP-CQSZACIVSA-N 1 3 325.478 1.711 20 0 EDADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268905279 443142392 /nfs/dbraw/zinc/14/23/92/443142392.db2.gz LQAGSZIPAIWLDM-RKVPGOIHSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@@H](C)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268905279 443142395 /nfs/dbraw/zinc/14/23/95/443142395.db2.gz LQAGSZIPAIWLDM-RKVPGOIHSA-N 1 3 333.476 1.897 20 0 EDADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000268905279 443142396 /nfs/dbraw/zinc/14/23/96/443142396.db2.gz LQAGSZIPAIWLDM-RKVPGOIHSA-N 1 3 333.476 1.897 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@](C)(C[NH3+])C3CC3)CC2)c1 ZINC000237719847 443180870 /nfs/dbraw/zinc/18/08/70/443180870.db2.gz GRCCFVLIWHESHT-HXUWFJFHSA-N 1 3 344.503 1.751 20 0 EDADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262204852 443185478 /nfs/dbraw/zinc/18/54/78/443185478.db2.gz WSVDVLQCUSOPMT-WDSOQIARSA-N 1 3 346.519 1.855 20 0 EDADHO CCN1CCN([C@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236978181 443154939 /nfs/dbraw/zinc/15/49/39/443154939.db2.gz XHDIJVWZUPOHGF-CQSZACIVSA-N 1 3 330.480 1.392 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000304374041 318918309 /nfs/dbraw/zinc/91/83/09/318918309.db2.gz QLDXXEAZGQWGAV-GOSISDBHSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269250827 443251220 /nfs/dbraw/zinc/25/12/20/443251220.db2.gz GQOXVHMHLCISNP-NEWSRXKRSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000269250827 443251216 /nfs/dbraw/zinc/25/12/16/443251216.db2.gz GQOXVHMHLCISNP-NEWSRXKRSA-N 1 3 345.487 1.782 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000414664030 319338278 /nfs/dbraw/zinc/33/82/78/319338278.db2.gz SSEOFDDRYWSOKW-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414662871 319338531 /nfs/dbraw/zinc/33/85/31/319338531.db2.gz QQVDSLMXSWEWRX-AWEZNQCLSA-N 1 3 344.459 1.609 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414662871 319338532 /nfs/dbraw/zinc/33/85/32/319338532.db2.gz QQVDSLMXSWEWRX-AWEZNQCLSA-N 1 3 344.459 1.609 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673025 319339350 /nfs/dbraw/zinc/33/93/50/319339350.db2.gz BKUDBAIYFDBVJA-DLBZAZTESA-N 1 3 330.476 1.631 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678743 319340608 /nfs/dbraw/zinc/34/06/08/319340608.db2.gz QWYMJVOZYQCJOY-JKSUJKDBSA-N 1 3 349.450 1.737 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000414692318 319343159 /nfs/dbraw/zinc/34/31/59/319343159.db2.gz ATZDRCUZECQKGB-AWEZNQCLSA-N 1 3 332.448 1.193 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415871622 319380157 /nfs/dbraw/zinc/38/01/57/319380157.db2.gz QPSQSJQFEBNMKC-HNNXBMFYSA-N 1 3 332.448 1.253 20 0 EDADHO CN1CC[C@](O)(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415954546 319384413 /nfs/dbraw/zinc/38/44/13/319384413.db2.gz OHHWKPCRMFLBMN-AWEZNQCLSA-N 1 3 346.353 1.352 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000416828467 319464612 /nfs/dbraw/zinc/46/46/12/319464612.db2.gz SGJQRRGWVRARFK-KEYYUXOJSA-N 1 3 334.464 1.867 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416854713 319467695 /nfs/dbraw/zinc/46/76/95/319467695.db2.gz VEQWCGBENXQUJE-SQNIBIBYSA-N 1 3 332.492 1.976 20 0 EDADHO CN1CCN(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000282541212 443369285 /nfs/dbraw/zinc/36/92/85/443369285.db2.gz ZTIILPUJXVSUME-UHFFFAOYSA-N 1 3 331.508 1.797 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000422934910 319739402 /nfs/dbraw/zinc/73/94/02/319739402.db2.gz GRLQBEIFFPIWDJ-OUCADQQQSA-N 1 3 343.265 1.906 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631988 320352776 /nfs/dbraw/zinc/35/27/76/320352776.db2.gz ADABMHCYZCTEOV-SJLPKXTDSA-N 1 3 348.491 1.384 20 0 EDADHO COC[C@@H](C)OC[C@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709561 /nfs/dbraw/zinc/70/95/61/443709561.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 1 3 348.487 1.463 20 0 EDADHO COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709565 /nfs/dbraw/zinc/70/95/65/443709565.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 1 3 348.487 1.463 20 0 EDADHO CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C)C1CCOCC1 ZINC000537446560 320734703 /nfs/dbraw/zinc/73/47/03/320734703.db2.gz ZBOJXFJLDQVDRP-SJORKVTESA-N 1 3 327.513 1.874 20 0 EDADHO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000537488673 320735169 /nfs/dbraw/zinc/73/51/69/320735169.db2.gz YLCAKNOIUPENPJ-OTWHNJEPSA-N 1 3 347.503 1.680 20 0 EDADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000559580843 321015929 /nfs/dbraw/zinc/01/59/29/321015929.db2.gz BSDSBRGYBQBPDX-AWEZNQCLSA-N 1 3 335.448 1.471 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)OC[C@@H]3C)CC2)CC1 ZINC000561118078 321033628 /nfs/dbraw/zinc/03/36/28/321033628.db2.gz GWZJRXUPADUZNA-JKSUJKDBSA-N 1 3 337.508 1.819 20 0 EDADHO COC[C@]1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCC[NH2+]1 ZINC000562816223 321078390 /nfs/dbraw/zinc/07/83/90/321078390.db2.gz PKVHRURSULXKGY-GOSISDBHSA-N 1 3 338.496 1.415 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000566089384 321214252 /nfs/dbraw/zinc/21/42/52/321214252.db2.gz MDPLJKGJXFGIMF-RLLQIKCJSA-N 1 3 346.519 1.332 20 0 EDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000567041216 321239814 /nfs/dbraw/zinc/23/98/14/321239814.db2.gz ANXWNSLBEBWDIS-RDJZCZTQSA-N 1 3 338.540 1.591 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000567735694 321256365 /nfs/dbraw/zinc/25/63/65/321256365.db2.gz PWOYGQDUNZMGON-JKSUJKDBSA-N 1 3 348.491 1.127 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000569085953 321317621 /nfs/dbraw/zinc/31/76/21/321317621.db2.gz ZNTSRHLTDOEROO-SFHVURJKSA-N 1 3 345.491 1.067 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccccc1-n1ccnn1 ZINC000285969151 444165400 /nfs/dbraw/zinc/16/54/00/444165400.db2.gz GZZDSLDHPMLKFM-QGZVFWFLSA-N 1 3 342.491 1.946 20 0 EDADHO C[C@@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289532996 444166164 /nfs/dbraw/zinc/16/61/64/444166164.db2.gz QANHKAZBLZYSDO-XGXHKWSGSA-N 1 3 341.459 1.718 20 0 EDADHO C[C@H](Cc1cccc(O)c1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000574491298 321486346 /nfs/dbraw/zinc/48/63/46/321486346.db2.gz FOIKYEMDWGDUDT-OAHLLOKOSA-N 1 3 336.480 1.458 20 0 EDADHO Cc1cccc2c(N(C)C[C@H](O)CN3CCN(C)CC3)cc[nH+]c12 ZINC000302661086 444218459 /nfs/dbraw/zinc/21/84/59/444218459.db2.gz LRAPZNDQCVFYTI-INIZCTEOSA-N 1 3 328.460 1.588 20 0 EDADHO CO[C@@H](CN)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000290168641 444250519 /nfs/dbraw/zinc/25/05/19/444250519.db2.gz OOGJBNKKWDDNSE-KRWDZBQOSA-N 1 3 334.464 1.377 20 0 EDADHO O=S1(=O)CCCN1c1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000297700642 444320895 /nfs/dbraw/zinc/32/08/95/444320895.db2.gz QMEUMEINZKMMKI-UHFFFAOYSA-N 1 3 349.500 1.943 20 0 EDADHO CCn1nc(C)c(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976451 444288884 /nfs/dbraw/zinc/28/88/84/444288884.db2.gz WDLPGTROXDBYDO-WMZOPIPTSA-N 1 3 347.507 1.600 20 0 EDADHO CC(C)(C)N1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000580823981 322099939 /nfs/dbraw/zinc/09/99/39/322099939.db2.gz MBYFPAWOCFLVPW-UHFFFAOYSA-N 1 3 338.496 1.097 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000581478083 322182048 /nfs/dbraw/zinc/18/20/48/322182048.db2.gz CVYDIOSRPBMUEU-RHSMWYFYSA-N 1 3 330.476 1.383 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000581822655 322220823 /nfs/dbraw/zinc/22/08/23/322220823.db2.gz HVEKQUOJSJHECH-CABCVRRESA-N 1 3 336.480 1.595 20 0 EDADHO C[C@@H](NCC1([NH3+])CCC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000342142466 444530589 /nfs/dbraw/zinc/53/05/89/444530589.db2.gz QELIGFNQYLBXQA-MRXNPFEDSA-N 1 3 344.503 1.627 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000340941651 444588123 /nfs/dbraw/zinc/58/81/23/444588123.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 1 3 328.501 1.517 20 0 EDADHO COCCCN(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000340941651 444588126 /nfs/dbraw/zinc/58/81/26/444588126.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000340949134 444591314 /nfs/dbraw/zinc/59/13/14/444591314.db2.gz CRCAVIURFBNEHT-NVXWUHKLSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000340949134 444591318 /nfs/dbraw/zinc/59/13/18/444591318.db2.gz CRCAVIURFBNEHT-NVXWUHKLSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN[C@H](C)C2)CC1 ZINC000333441746 444672305 /nfs/dbraw/zinc/67/23/05/444672305.db2.gz WFLBGMHWCULLAJ-HUUCEWRRSA-N 1 3 331.464 1.610 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000343873926 444640069 /nfs/dbraw/zinc/64/00/69/444640069.db2.gz NEQUIBPFBHHXLE-MRXNPFEDSA-N 1 3 339.480 1.382 20 0 EDADHO CCN1C[C@H](C)[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000343987073 444710951 /nfs/dbraw/zinc/71/09/51/444710951.db2.gz SDFIJPYTYRHNCF-PKOBYXMFSA-N 1 3 331.508 1.524 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341120688 444684100 /nfs/dbraw/zinc/68/41/00/444684100.db2.gz KQPQENXAPBJWMU-LSDHHAIUSA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341120688 444684106 /nfs/dbraw/zinc/68/41/06/444684106.db2.gz KQPQENXAPBJWMU-LSDHHAIUSA-N 1 3 340.512 1.658 20 0 EDADHO COCC1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000333635644 444687411 /nfs/dbraw/zinc/68/74/11/444687411.db2.gz HHQHZLJZBBULAJ-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000337380144 445056575 /nfs/dbraw/zinc/05/65/75/445056575.db2.gz YEZPWPYLUVWSJV-ZWKOTPCHSA-N 1 3 327.513 1.528 20 0 EDADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000337380144 445056578 /nfs/dbraw/zinc/05/65/78/445056578.db2.gz YEZPWPYLUVWSJV-ZWKOTPCHSA-N 1 3 327.513 1.528 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CCOC)C2)CC1 ZINC000344536135 445042373 /nfs/dbraw/zinc/04/23/73/445042373.db2.gz UYJSPKONPOHFMY-LJQANCHMSA-N 1 3 346.519 1.639 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCN(CCOC)C2)CC1 ZINC000344536132 445042555 /nfs/dbraw/zinc/04/25/55/445042555.db2.gz UYJSPKONPOHFMY-IBGZPJMESA-N 1 3 346.519 1.639 20 0 EDADHO CCO[C@@H]1C[C@@](CO)([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000337476494 445097636 /nfs/dbraw/zinc/09/76/36/445097636.db2.gz SKLATODKRCOMAY-MJGOQNOKSA-N 1 3 341.540 1.558 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)NC(=O)Nc3ccccc3)C[C@@H]21 ZINC000342111834 445177534 /nfs/dbraw/zinc/17/75/34/445177534.db2.gz UOFDXDNBPNVEFY-CWRNSKLLSA-N 1 3 330.432 1.784 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C[C@H](C)O1 ZINC000343243953 445157212 /nfs/dbraw/zinc/15/72/12/445157212.db2.gz GNTBGYCVKSPCBK-APAFKAMOSA-N 1 3 339.524 1.623 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1 ZINC000348126519 445282745 /nfs/dbraw/zinc/28/27/45/445282745.db2.gz JQTIZFSRUPGIAC-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1C[C@H](OC)C[C@H]1CN1CCCC1 ZINC000348126519 445282747 /nfs/dbraw/zinc/28/27/47/445282747.db2.gz JQTIZFSRUPGIAC-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO Cn1cc(CCN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000348275963 445336028 /nfs/dbraw/zinc/33/60/28/445336028.db2.gz LXVJCBMSINSXRL-UHFFFAOYSA-N 1 3 349.523 1.379 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348684327 445347403 /nfs/dbraw/zinc/34/74/03/445347403.db2.gz PCGRTQDPWHAFBN-NEWSRXKRSA-N 1 3 335.492 1.884 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348684327 445347404 /nfs/dbraw/zinc/34/74/04/445347404.db2.gz PCGRTQDPWHAFBN-NEWSRXKRSA-N 1 3 335.492 1.884 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000359710505 445387117 /nfs/dbraw/zinc/38/71/17/445387117.db2.gz CEUQWSPHUAGVCJ-QFBILLFUSA-N 1 3 334.483 1.878 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000359710505 445387120 /nfs/dbraw/zinc/38/71/20/445387120.db2.gz CEUQWSPHUAGVCJ-QFBILLFUSA-N 1 3 334.483 1.878 20 0 EDADHO CCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351950600 445394576 /nfs/dbraw/zinc/39/45/76/445394576.db2.gz WOOAPGUPBNXWOF-MRXNPFEDSA-N 1 3 325.497 1.866 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@@H](N2CCCCC2)C1 ZINC000362794784 445553112 /nfs/dbraw/zinc/55/31/12/445553112.db2.gz NWNBLWJSCLSYST-HZPDHXFCSA-N 1 3 331.464 1.508 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941537 445538755 /nfs/dbraw/zinc/53/87/55/445538755.db2.gz LLDANAFRWFMKJB-QGZVFWFLSA-N 1 3 342.528 1.857 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)[C@@H](C)C1 ZINC000353434369 445600416 /nfs/dbraw/zinc/60/04/16/445600416.db2.gz DGWKGQLZQMQSLJ-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)CN(C)C)[C@@H](C)C1 ZINC000353434369 445600419 /nfs/dbraw/zinc/60/04/19/445600419.db2.gz DGWKGQLZQMQSLJ-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000356101444 445621944 /nfs/dbraw/zinc/62/19/44/445621944.db2.gz QZYUDXNTCAJFCK-INIZCTEOSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353659731 445695810 /nfs/dbraw/zinc/69/58/10/445695810.db2.gz BDUJQTFTLURUDE-DOTOQJQBSA-N 1 3 333.476 1.986 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCN(c2ccncc2OC)CC1)C(C)C ZINC000353686223 445706085 /nfs/dbraw/zinc/70/60/85/445706085.db2.gz FKPAMYIPBYTNNM-UHFFFAOYSA-N 1 3 349.479 1.652 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCN(c2ccncc2OC)CC1)C(C)C ZINC000353686223 445706088 /nfs/dbraw/zinc/70/60/88/445706088.db2.gz FKPAMYIPBYTNNM-UHFFFAOYSA-N 1 3 349.479 1.652 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293115 445722364 /nfs/dbraw/zinc/72/23/64/445722364.db2.gz HMUQGTXZRBACOF-HKUYNNGSSA-N 1 3 335.492 1.574 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3C3CCOCC3)C2)C1 ZINC000356293115 445722369 /nfs/dbraw/zinc/72/23/69/445722369.db2.gz HMUQGTXZRBACOF-HKUYNNGSSA-N 1 3 335.492 1.574 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358708694 445733104 /nfs/dbraw/zinc/73/31/04/445733104.db2.gz QRCZMHGBDNFCIX-DOTOQJQBSA-N 1 3 326.485 1.007 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358708694 445733116 /nfs/dbraw/zinc/73/31/16/445733116.db2.gz QRCZMHGBDNFCIX-DOTOQJQBSA-N 1 3 326.485 1.007 20 0 EDADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107509 445748380 /nfs/dbraw/zinc/74/83/80/445748380.db2.gz PYZXMBVVCORLOE-WBVHZDCISA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000353952036 445824823 /nfs/dbraw/zinc/82/48/23/445824823.db2.gz NIMJEOFBDVXAQI-INMHGKMJSA-N 1 3 340.537 1.692 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000363389260 445783532 /nfs/dbraw/zinc/78/35/32/445783532.db2.gz IMSARHJWNQPUNY-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COCC[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717834 445896077 /nfs/dbraw/zinc/89/60/77/445896077.db2.gz IZTDGSXXLRSOMJ-FQEVSTJZSA-N 1 3 345.487 1.567 20 0 EDADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000359206231 446036152 /nfs/dbraw/zinc/03/61/52/446036152.db2.gz HIEFFXHPGXYAJO-UHFFFAOYSA-N 1 3 348.466 1.772 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000583932762 326167995 /nfs/dbraw/zinc/16/79/95/326167995.db2.gz IKAWVBRRMWDYMR-YJBOKZPZSA-N 1 3 330.476 1.986 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2CN)C1 ZINC000583932762 326167997 /nfs/dbraw/zinc/16/79/97/326167997.db2.gz IKAWVBRRMWDYMR-YJBOKZPZSA-N 1 3 330.476 1.986 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373192728 446089326 /nfs/dbraw/zinc/08/93/26/446089326.db2.gz WANBEVVFQGANJD-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000373192728 446089332 /nfs/dbraw/zinc/08/93/32/446089332.db2.gz WANBEVVFQGANJD-GBESFXJTSA-N 1 3 344.503 1.895 20 0 EDADHO CC(C)[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccnc1 ZINC000359370622 446178295 /nfs/dbraw/zinc/17/82/95/446178295.db2.gz JSPMHTHDALRWOK-LJQANCHMSA-N 1 3 334.508 1.758 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369681452 446146234 /nfs/dbraw/zinc/14/62/34/446146234.db2.gz LYNKXHDZBXBDFK-OAHLLOKOSA-N 1 3 348.495 2.146 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339730 446157930 /nfs/dbraw/zinc/15/79/30/446157930.db2.gz MPGBRILSDBYBPQ-PVAVHDDUSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC1CCN(C)CC1 ZINC000365339730 446157934 /nfs/dbraw/zinc/15/79/34/446157934.db2.gz MPGBRILSDBYBPQ-PVAVHDDUSA-N 1 3 338.496 1.269 20 0 EDADHO C[NH+](C)CCn1nccc1NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000359493235 446257134 /nfs/dbraw/zinc/25/71/34/446257134.db2.gz LZXWLPITHJXUOZ-UHFFFAOYSA-N 1 3 349.479 1.418 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000365663945 446292808 /nfs/dbraw/zinc/29/28/08/446292808.db2.gz QFUYQCQJKDBNEQ-KBMXLJTQSA-N 1 3 329.448 1.889 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000365663945 446292812 /nfs/dbraw/zinc/29/28/12/446292812.db2.gz QFUYQCQJKDBNEQ-KBMXLJTQSA-N 1 3 329.448 1.889 20 0 EDADHO OC(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365712871 446311378 /nfs/dbraw/zinc/31/13/78/446311378.db2.gz PRTVSRQKOIABMI-WNRNVDISSA-N 1 3 338.492 1.064 20 0 EDADHO OC(CN1CC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365712871 446311379 /nfs/dbraw/zinc/31/13/79/446311379.db2.gz PRTVSRQKOIABMI-WNRNVDISSA-N 1 3 338.492 1.064 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000417365793 446349810 /nfs/dbraw/zinc/34/98/10/446349810.db2.gz MNNQJNDLEWFLRV-LSDHHAIUSA-N 1 3 336.505 1.963 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417368541 446350202 /nfs/dbraw/zinc/35/02/02/446350202.db2.gz RDPJMYKPUZNBLS-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417533465 446363086 /nfs/dbraw/zinc/36/30/86/446363086.db2.gz MSHOIHHKXZDOQH-KLHDSHLOSA-N 1 3 326.485 1.397 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H](N)c2ccccc2)CC1 ZINC000417546678 446364196 /nfs/dbraw/zinc/36/41/96/446364196.db2.gz MYELHGDUQMMXQZ-QGZVFWFLSA-N 1 3 348.491 1.875 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000417674352 446369480 /nfs/dbraw/zinc/36/94/80/446369480.db2.gz ZBWKMNZDZJQAEK-YVSFHVDLSA-N 1 3 340.512 1.515 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN[C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000417674352 446369484 /nfs/dbraw/zinc/36/94/84/446369484.db2.gz ZBWKMNZDZJQAEK-YVSFHVDLSA-N 1 3 340.512 1.515 20 0 EDADHO C[NH2+]CCNC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000417682401 446370757 /nfs/dbraw/zinc/37/07/57/446370757.db2.gz LFBUPRSINDFJLM-KRWDZBQOSA-N 1 3 332.492 1.978 20 0 EDADHO C[C@H](CCNC(=O)NC[C@H]1CNCCO1)[N@H+](C)Cc1ccccc1 ZINC000417814108 446374404 /nfs/dbraw/zinc/37/44/04/446374404.db2.gz MXZCCOATXATQDD-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO C[C@H](CCNC(=O)NC[C@H]1CNCCO1)[N@@H+](C)Cc1ccccc1 ZINC000417814108 446374405 /nfs/dbraw/zinc/37/44/05/446374405.db2.gz MXZCCOATXATQDD-NVXWUHKLSA-N 1 3 334.464 1.185 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417960188 446400816 /nfs/dbraw/zinc/40/08/16/446400816.db2.gz XFAALLZYACYORF-UHFFFAOYSA-N 1 3 337.468 1.339 20 0 EDADHO CS(=O)(=O)N(CCN1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000420266507 446439586 /nfs/dbraw/zinc/43/95/86/446439586.db2.gz DBQIXVYBPNXIOG-UHFFFAOYSA-N 1 3 325.478 1.119 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000418135214 446441220 /nfs/dbraw/zinc/44/12/20/446441220.db2.gz HRRZBRGOTPKYHK-ROUUACIJSA-N 1 3 346.475 1.185 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CNCCO1)C1CC1 ZINC000418135214 446441227 /nfs/dbraw/zinc/44/12/27/446441227.db2.gz HRRZBRGOTPKYHK-ROUUACIJSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)CCCO1 ZINC000418116598 446441356 /nfs/dbraw/zinc/44/13/56/446441356.db2.gz QOQOBYJNRJBYMV-RDJZCZTQSA-N 1 3 334.464 1.487 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H](N)c2ccccc2)CCCO1 ZINC000418116598 446441365 /nfs/dbraw/zinc/44/13/65/446441365.db2.gz QOQOBYJNRJBYMV-RDJZCZTQSA-N 1 3 334.464 1.487 20 0 EDADHO Cc1c([C@@H](C)NCCN2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423201032 446451856 /nfs/dbraw/zinc/45/18/56/446451856.db2.gz HARKMKKJDKCAKS-CQSZACIVSA-N 1 3 331.439 1.876 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)ccc1CN(C)C ZINC000411173084 446418439 /nfs/dbraw/zinc/41/84/39/446418439.db2.gz KYIOVXXIUGJBGH-UHFFFAOYSA-N 1 3 346.475 1.548 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418039673 446422241 /nfs/dbraw/zinc/42/22/41/446422241.db2.gz USCXWEAEFFLGDO-MSOLQXFVSA-N 1 3 348.491 1.512 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H](N(C)C)C2)ccc1C[NH+](C)C ZINC000411303350 446480752 /nfs/dbraw/zinc/48/07/52/446480752.db2.gz QSXPCCSYFSLWEN-RHSMWYFYSA-N 1 3 346.475 1.404 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1CN(C)C ZINC000411303350 446480755 /nfs/dbraw/zinc/48/07/55/446480755.db2.gz QSXPCCSYFSLWEN-RHSMWYFYSA-N 1 3 346.475 1.404 20 0 EDADHO CCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000420317144 446481184 /nfs/dbraw/zinc/48/11/84/446481184.db2.gz NIZUMFVRISNQML-OAHLLOKOSA-N 1 3 332.448 1.905 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000423262960 446468802 /nfs/dbraw/zinc/46/88/02/446468802.db2.gz ACLIDKTWBQTQEF-NTZNESFSSA-N 1 3 328.254 1.716 20 0 EDADHO C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H]1CN ZINC000423262960 446468809 /nfs/dbraw/zinc/46/88/09/446468809.db2.gz ACLIDKTWBQTQEF-NTZNESFSSA-N 1 3 328.254 1.716 20 0 EDADHO OCCN(CC[C@H]1CC[NH2+]C1)Cc1cnn(Cc2ccccc2)c1 ZINC000420306229 446469665 /nfs/dbraw/zinc/46/96/65/446469665.db2.gz AENIXYFMMNFNAW-QGZVFWFLSA-N 1 3 328.460 1.725 20 0 EDADHO COc1ccccc1CCCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420311555 446475398 /nfs/dbraw/zinc/47/53/98/446475398.db2.gz NOJPDVLKSRJCRP-QGZVFWFLSA-N 1 3 333.476 1.947 20 0 EDADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420312855 446478450 /nfs/dbraw/zinc/47/84/50/446478450.db2.gz XKPAFMORSNNWAH-INIZCTEOSA-N 1 3 348.466 1.772 20 0 EDADHO CCCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000420315406 446480508 /nfs/dbraw/zinc/48/05/08/446480508.db2.gz LTNLHGTUSKNGCQ-OALUTQOASA-N 1 3 347.503 1.546 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418282973 446482556 /nfs/dbraw/zinc/48/25/56/446482556.db2.gz ZGUVKHIZVXNCEJ-KRWDZBQOSA-N 1 3 333.480 1.687 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289760 446485655 /nfs/dbraw/zinc/48/56/55/446485655.db2.gz YPMABSBOFHPWQD-MRXNPFEDSA-N 1 3 340.512 1.430 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)CCCO1 ZINC000376428622 446491933 /nfs/dbraw/zinc/49/19/33/446491933.db2.gz PKIHCSMDJHAABQ-IRXDYDNUSA-N 1 3 336.480 1.143 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](N3CC=CC3)C2)CCCO1 ZINC000376428622 446491935 /nfs/dbraw/zinc/49/19/35/446491935.db2.gz PKIHCSMDJHAABQ-IRXDYDNUSA-N 1 3 336.480 1.143 20 0 EDADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326239 446493034 /nfs/dbraw/zinc/49/30/34/446493034.db2.gz JPWDWMALGYOOEP-JKSUJKDBSA-N 1 3 349.450 1.642 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000418311514 446494440 /nfs/dbraw/zinc/49/44/40/446494440.db2.gz FYMKBRYVHOPWLM-GOSISDBHSA-N 1 3 330.476 1.904 20 0 EDADHO COc1cccc(CNC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420341529 446513789 /nfs/dbraw/zinc/51/37/89/446513789.db2.gz OSLVNKHKKLIEPJ-IRXDYDNUSA-N 1 3 331.460 1.633 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418364767 446515447 /nfs/dbraw/zinc/51/54/47/446515447.db2.gz OGJJJOICXYQCAT-QGZVFWFLSA-N 1 3 339.528 1.173 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423357568 446498604 /nfs/dbraw/zinc/49/86/04/446498604.db2.gz IKQYGIYIZJDMDY-KFWWJZLASA-N 1 3 333.480 1.727 20 0 EDADHO COCC[NH2+]CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418499434 446566207 /nfs/dbraw/zinc/56/62/07/446566207.db2.gz OCEYGSMJIXDYTJ-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402197 446518037 /nfs/dbraw/zinc/51/80/37/446518037.db2.gz WNMUDSLPYRKGCW-CFVMTHIKSA-N 1 3 325.478 1.857 20 0 EDADHO c1cc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350570 446527333 /nfs/dbraw/zinc/52/73/33/446527333.db2.gz UANVIBRZTYHUPP-HNNXBMFYSA-N 1 3 333.432 1.164 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418400151 446529122 /nfs/dbraw/zinc/52/91/22/446529122.db2.gz FJOANSXTNSYMGK-WBVHZDCISA-N 1 3 333.480 1.672 20 0 EDADHO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](O)CN ZINC000420352778 446531375 /nfs/dbraw/zinc/53/13/75/446531375.db2.gz MTAWLDYRLJVHIL-INIZCTEOSA-N 1 3 327.428 1.934 20 0 EDADHO C[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](O)CN ZINC000420352778 446531386 /nfs/dbraw/zinc/53/13/86/446531386.db2.gz MTAWLDYRLJVHIL-INIZCTEOSA-N 1 3 327.428 1.934 20 0 EDADHO C[C@H](Cc1cnccn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453118838 446544711 /nfs/dbraw/zinc/54/47/11/446544711.db2.gz JAEPNBVEAOTNNL-APWZRJJASA-N 1 3 326.444 1.634 20 0 EDADHO C[C@H](Cc1cnccn1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453118838 446544715 /nfs/dbraw/zinc/54/47/15/446544715.db2.gz JAEPNBVEAOTNNL-APWZRJJASA-N 1 3 326.444 1.634 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000418460679 446552297 /nfs/dbraw/zinc/55/22/97/446552297.db2.gz KOPQQWPKBCRQQV-YOEHRIQHSA-N 1 3 334.464 1.352 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662637 446638372 /nfs/dbraw/zinc/63/83/72/446638372.db2.gz DREABFDMSJNMBQ-ULQDDVLXSA-N 1 3 339.528 1.077 20 0 EDADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418665165 446640041 /nfs/dbraw/zinc/64/00/41/446640041.db2.gz BXZMHGRYCKEAMI-LTFXXXRZSA-N 1 3 340.471 1.368 20 0 EDADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418757338 446677267 /nfs/dbraw/zinc/67/72/67/446677267.db2.gz YYLZAYMBLNYSKD-CQSZACIVSA-N 1 3 326.391 1.544 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764686 446693040 /nfs/dbraw/zinc/69/30/40/446693040.db2.gz XTOKNYIRRQDLDK-FQEVSTJZSA-N 1 3 344.503 1.014 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000371231376 446704878 /nfs/dbraw/zinc/70/48/78/446704878.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000371231376 446704884 /nfs/dbraw/zinc/70/48/84/446704884.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 1 3 336.524 1.347 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN(C2CCC2)C1 ZINC000418805695 446713071 /nfs/dbraw/zinc/71/30/71/446713071.db2.gz XYPMSBMVGCMHDC-LUKYLMHMSA-N 1 3 334.508 1.890 20 0 EDADHO C[C@H](NC(=O)CCOC1CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423882857 446739578 /nfs/dbraw/zinc/73/95/78/446739578.db2.gz XINCXCKDQLKARK-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H](NC(=O)CCOC1CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423882857 446739585 /nfs/dbraw/zinc/73/95/85/446739585.db2.gz XINCXCKDQLKARK-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO Cc1cccc(CN2CCC(NC(=O)C3(C[NH3+])CCOCC3)CC2)c1 ZINC000375346627 446739997 /nfs/dbraw/zinc/73/99/97/446739997.db2.gz BMTIUDXKYHRWMK-UHFFFAOYSA-N 1 3 345.487 1.831 20 0 EDADHO COCC[C@]1(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846366 446729973 /nfs/dbraw/zinc/72/99/73/446729973.db2.gz PBNHSZYVLOHDIW-VQIMIIECSA-N 1 3 333.476 1.639 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423752231 446681281 /nfs/dbraw/zinc/68/12/81/446681281.db2.gz VRANPVVDXQZKQS-MAUKXSAKSA-N 1 3 337.414 1.855 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390622 446766117 /nfs/dbraw/zinc/76/61/17/446766117.db2.gz HQJCXSUNNKGUIP-IRXDYDNUSA-N 1 3 343.537 1.102 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCN1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390622 446766121 /nfs/dbraw/zinc/76/61/21/446766121.db2.gz HQJCXSUNNKGUIP-IRXDYDNUSA-N 1 3 343.537 1.102 20 0 EDADHO C[C@@H](O)COC(=O)CCNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459392 446815260 /nfs/dbraw/zinc/81/52/60/446815260.db2.gz KFYHQTRDPYAWJF-SZVBFZGTSA-N 1 3 334.460 1.973 20 0 EDADHO C[C@@H](O)COC(=O)CCNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375459392 446815265 /nfs/dbraw/zinc/81/52/65/446815265.db2.gz KFYHQTRDPYAWJF-SZVBFZGTSA-N 1 3 334.460 1.973 20 0 EDADHO C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419018053 446869294 /nfs/dbraw/zinc/86/92/94/446869294.db2.gz BKVBXTYCBOSXLO-AWEZNQCLSA-N 1 3 340.512 1.056 20 0 EDADHO CCN(C(=O)CNCCOC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453921 446871146 /nfs/dbraw/zinc/87/11/46/446871146.db2.gz NJOVKQRLUOZKLQ-AEFFLSMTSA-N 1 3 333.476 1.906 20 0 EDADHO CCN(C(=O)CNCCOC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453921 446871154 /nfs/dbraw/zinc/87/11/54/446871154.db2.gz NJOVKQRLUOZKLQ-AEFFLSMTSA-N 1 3 333.476 1.906 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610685 446915293 /nfs/dbraw/zinc/91/52/93/446915293.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000442610685 446915299 /nfs/dbraw/zinc/91/52/99/446915299.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 1 3 339.528 1.137 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959731 /nfs/dbraw/zinc/95/97/31/446959731.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 1 3 338.496 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959738 /nfs/dbraw/zinc/95/97/38/446959738.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 1 3 338.496 1.080 20 0 EDADHO CCCCNC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420986090 446963303 /nfs/dbraw/zinc/96/33/03/446963303.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCCCNC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420986090 446963310 /nfs/dbraw/zinc/96/33/10/446963310.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419173349 446989863 /nfs/dbraw/zinc/98/98/63/446989863.db2.gz SKLXGSDFYSITQT-HOTGVXAUSA-N 1 3 338.496 1.016 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059136 447002255 /nfs/dbraw/zinc/00/22/55/447002255.db2.gz MCIAXKLYNWTZEH-HNNXBMFYSA-N 1 3 349.475 1.723 20 0 EDADHO NC1(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000372228309 447028840 /nfs/dbraw/zinc/02/88/40/447028840.db2.gz RQPBPUBHSIQCSF-MSOLQXFVSA-N 1 3 339.414 1.575 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)[C@H]2C1 ZINC000376041140 447228675 /nfs/dbraw/zinc/22/86/75/447228675.db2.gz FIUXXKIFNNZVOW-HOCLYGCPSA-N 1 3 346.479 1.708 20 0 EDADHO C[C@@H](CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1)[NH+](C)C ZINC000425590568 447239744 /nfs/dbraw/zinc/23/97/44/447239744.db2.gz RTYYJPXVDYQMMB-RYQLBKOJSA-N 1 3 330.476 1.852 20 0 EDADHO C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000369046771 447285774 /nfs/dbraw/zinc/28/57/74/447285774.db2.gz IMONEYQHDYFPDX-IAGOWNOFSA-N 1 3 338.496 1.223 20 0 EDADHO O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000458719768 447461488 /nfs/dbraw/zinc/46/14/88/447461488.db2.gz BAEOZMBHQYHAGM-KLAILNCOSA-N 1 3 338.496 1.149 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458724733 447462734 /nfs/dbraw/zinc/46/27/34/447462734.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458724733 447462740 /nfs/dbraw/zinc/46/27/40/447462740.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO COC[C@@]1(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488633 447479235 /nfs/dbraw/zinc/47/92/35/447479235.db2.gz LUHDKSUETPILQT-UYAOXDASSA-N 1 3 345.487 1.736 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](OC)C1CC1 ZINC000458845695 447488320 /nfs/dbraw/zinc/48/83/20/447488320.db2.gz DJFQLHPIPSCDPP-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H](OC)C1CC1 ZINC000458845695 447488324 /nfs/dbraw/zinc/48/83/24/447488324.db2.gz DJFQLHPIPSCDPP-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO CN(C(=O)C[C@@H]1CC[NH2+]C1)C1CCN(CCc2ccccn2)CC1 ZINC000427333465 447583469 /nfs/dbraw/zinc/58/34/69/447583469.db2.gz ZPPBHLWBBYAPDJ-INIZCTEOSA-N 1 3 330.476 1.547 20 0 EDADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000427347420 447584702 /nfs/dbraw/zinc/58/47/02/447584702.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 1 3 337.508 1.819 20 0 EDADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000427347420 447584708 /nfs/dbraw/zinc/58/47/08/447584708.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 1 3 337.508 1.819 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000457531923 447590354 /nfs/dbraw/zinc/59/03/54/447590354.db2.gz LXKUIJHNQQGXCY-SJLPKXTDSA-N 1 3 349.523 1.473 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000457531923 447590358 /nfs/dbraw/zinc/59/03/58/447590358.db2.gz LXKUIJHNQQGXCY-SJLPKXTDSA-N 1 3 349.523 1.473 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000416826514 447692493 /nfs/dbraw/zinc/69/24/93/447692493.db2.gz BUBKEWCVVMCZCP-GBESFXJTSA-N 1 3 344.503 1.847 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CNCCO1 ZINC000416889466 447703172 /nfs/dbraw/zinc/70/31/72/447703172.db2.gz KSJJRPMYMXJKHQ-KRWDZBQOSA-N 1 3 334.464 1.316 20 0 EDADHO C[C@H](C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)CN1CCN(C)CC1 ZINC000422716469 447726971 /nfs/dbraw/zinc/72/69/71/447726971.db2.gz NEXOSPLDLAKXNC-YZGWKJHDSA-N 1 3 330.520 1.953 20 0 EDADHO CC[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)N1CCc2ccccc2C1 ZINC000417004534 447729870 /nfs/dbraw/zinc/72/98/70/447729870.db2.gz CNPDEYIMPJFVMY-WBAXXEDZSA-N 1 3 330.476 1.954 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NCCNC(=O)c1ccc(Br)cc1 ZINC000422727050 447731041 /nfs/dbraw/zinc/73/10/41/447731041.db2.gz BJLWVSGIZFLBBE-WDEREUQCSA-N 1 3 328.254 1.894 20 0 EDADHO CCC[NH+]1CCC(NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000459684106 447739284 /nfs/dbraw/zinc/73/92/84/447739284.db2.gz DKLKKUQYEPOGLD-UHFFFAOYSA-N 1 3 325.497 1.332 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000458198877 447743018 /nfs/dbraw/zinc/74/30/18/447743018.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCC[N@@H+](CC)C(C)C)CC1 ZINC000458198877 447743022 /nfs/dbraw/zinc/74/30/22/447743022.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@H]1CN(C[C@@H](O)C[N@@H+]2CCN(C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000429375884 447745807 /nfs/dbraw/zinc/74/58/07/447745807.db2.gz IEKWCLGMTNVOQX-DFEOGRTESA-N 1 3 339.524 1.263 20 0 EDADHO C[C@H]1CN(C[C@@H](O)C[N@H+]2CCN(C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000429375884 447745811 /nfs/dbraw/zinc/74/58/11/447745811.db2.gz IEKWCLGMTNVOQX-DFEOGRTESA-N 1 3 339.524 1.263 20 0 EDADHO COCCCN(C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790787 447751435 /nfs/dbraw/zinc/75/14/35/447751435.db2.gz XYOFULPXMUCNER-IEBWSBKVSA-N 1 3 333.476 1.800 20 0 EDADHO CC(C)C[NH+]1CCC(NC[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496318976 447755690 /nfs/dbraw/zinc/75/56/90/447755690.db2.gz CGTVMMLNTUHDPF-SFHVURJKSA-N 1 3 343.512 1.972 20 0 EDADHO O=C(NCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813289 447756959 /nfs/dbraw/zinc/75/69/59/447756959.db2.gz ZHFOYNROOXAEGO-DNVCBOLYSA-N 1 3 341.411 1.855 20 0 EDADHO C[C@@H](NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422823280 447760962 /nfs/dbraw/zinc/76/09/62/447760962.db2.gz DBGILXNVTCAJJF-SJORKVTESA-N 1 3 332.496 1.109 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422823280 447760966 /nfs/dbraw/zinc/76/09/66/447760966.db2.gz DBGILXNVTCAJJF-SJORKVTESA-N 1 3 332.496 1.109 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCN1CCOCC1 ZINC000471875779 447815827 /nfs/dbraw/zinc/81/58/27/447815827.db2.gz XLCVJUMKPRHVFB-PMACEKPBSA-N 1 3 331.504 1.991 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000471875779 447815828 /nfs/dbraw/zinc/81/58/28/447815828.db2.gz XLCVJUMKPRHVFB-PMACEKPBSA-N 1 3 331.504 1.991 20 0 EDADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCN1CCOCC1 ZINC000471875779 447815830 /nfs/dbraw/zinc/81/58/30/447815830.db2.gz XLCVJUMKPRHVFB-PMACEKPBSA-N 1 3 331.504 1.991 20 0 EDADHO O=C(NCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960672 447781920 /nfs/dbraw/zinc/78/19/20/447781920.db2.gz XFKYALFEDQIHRN-KZNAEPCWSA-N 1 3 349.450 1.692 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000471656511 447808391 /nfs/dbraw/zinc/80/83/91/447808391.db2.gz CKNZHSXFWMRHCY-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2CN(C)C)CCCO1 ZINC000487645273 447835656 /nfs/dbraw/zinc/83/56/56/447835656.db2.gz WCACJUZSOXYFEZ-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2CN(C)C)CCCO1 ZINC000487645273 447835657 /nfs/dbraw/zinc/83/56/57/447835657.db2.gz WCACJUZSOXYFEZ-MRXNPFEDSA-N 1 3 333.476 1.979 20 0 EDADHO CC1CC[NH+](CCCNC[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700454 447851351 /nfs/dbraw/zinc/85/13/51/447851351.db2.gz QVWDFJWSGNNZBX-GOSISDBHSA-N 1 3 343.512 1.974 20 0 EDADHO CC1CCN(CCC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700454 447851353 /nfs/dbraw/zinc/85/13/53/447851353.db2.gz QVWDFJWSGNNZBX-GOSISDBHSA-N 1 3 343.512 1.974 20 0 EDADHO C[NH+]1CCC(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000523051178 447869511 /nfs/dbraw/zinc/86/95/11/447869511.db2.gz IEQUKINEDREQFL-SFHVURJKSA-N 1 3 330.476 1.752 20 0 EDADHO CC(NC(=O)N(C)C1CC([NH3+])C1)c1cccc(N2CCOC2=O)c1 ZINC000496798178 447921531 /nfs/dbraw/zinc/92/15/31/447921531.db2.gz JKTUCEZGZWLZSH-ZOODHJKOSA-N 1 3 332.404 1.835 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)cc1F ZINC000530880581 447976740 /nfs/dbraw/zinc/97/67/40/447976740.db2.gz LEWREFNIRKMADN-UHFFFAOYSA-N 1 3 329.391 1.295 20 0 EDADHO COc1cccc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525449556 447999323 /nfs/dbraw/zinc/99/93/23/447999323.db2.gz MOQARBBIEDJTSB-HNNXBMFYSA-N 1 3 336.480 1.891 20 0 EDADHO C[C@H](C[NH3+])CN[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289957 448043915 /nfs/dbraw/zinc/04/39/15/448043915.db2.gz QSOACUMONCCAJG-HLLBOEOZSA-N 1 3 335.448 1.597 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292725 448055160 /nfs/dbraw/zinc/05/51/60/448055160.db2.gz DLIBLRQDPXPCFK-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292725 448055163 /nfs/dbraw/zinc/05/51/63/448055163.db2.gz DLIBLRQDPXPCFK-MJGOQNOKSA-N 1 3 331.460 1.081 20 0 EDADHO O=C(CC[NH2+]C[C@@H](O)CN1CCCC1)Nc1ccc(Cl)cc1 ZINC000570451501 448017323 /nfs/dbraw/zinc/01/73/23/448017323.db2.gz NKMRLIIVULQNCL-OAHLLOKOSA-N 1 3 325.840 1.715 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000570836390 448072944 /nfs/dbraw/zinc/07/29/44/448072944.db2.gz GUOXWIYQLIUBAI-YJBOKZPZSA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836390 448072950 /nfs/dbraw/zinc/07/29/50/448072950.db2.gz GUOXWIYQLIUBAI-YJBOKZPZSA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836390 448072957 /nfs/dbraw/zinc/07/29/57/448072957.db2.gz GUOXWIYQLIUBAI-YJBOKZPZSA-N 1 3 347.459 1.459 20 0 EDADHO CCC[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CCN1CCOC ZINC000571051039 448100575 /nfs/dbraw/zinc/10/05/75/448100575.db2.gz WMNNXLQZNJMSCP-CABCVRRESA-N 1 3 349.479 1.060 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000531798465 448146759 /nfs/dbraw/zinc/14/67/59/448146759.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 1 3 341.544 1.099 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)CCN(C)C)C1 ZINC000531798465 448146762 /nfs/dbraw/zinc/14/67/62/448146762.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 1 3 341.544 1.099 20 0 EDADHO COC(=O)N1CC(NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000497084888 448186064 /nfs/dbraw/zinc/18/60/64/448186064.db2.gz RWVXWJVCSUGMHI-UHFFFAOYSA-N 1 3 345.447 1.216 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000577256983 448248111 /nfs/dbraw/zinc/24/81/11/448248111.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 1 3 347.503 1.860 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000577256983 448248121 /nfs/dbraw/zinc/24/81/21/448248121.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 1 3 347.503 1.860 20 0 EDADHO CC1CCN(CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000515058232 448251104 /nfs/dbraw/zinc/25/11/04/448251104.db2.gz OWHWTNYPZREKGW-GOSISDBHSA-N 1 3 330.476 1.986 20 0 EDADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCOCC1 ZINC000532499932 448266961 /nfs/dbraw/zinc/26/69/61/448266961.db2.gz HKPZTWIJTMADLC-GOSISDBHSA-N 1 3 327.513 1.171 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ncccc12 ZINC000532792280 448314355 /nfs/dbraw/zinc/31/43/55/448314355.db2.gz LXHRJIOTLAEWSC-UHFFFAOYSA-N 1 3 346.479 1.240 20 0 EDADHO C[C@H](CC[NH2+]C[C@H](O)CN1CCN(C)CC1)N(C)Cc1ccccc1 ZINC000515347380 448293109 /nfs/dbraw/zinc/29/31/09/448293109.db2.gz DPVRPUDDUPKKDK-QUCCMNQESA-N 1 3 348.535 1.095 20 0 EDADHO C[C@H](CCNC[C@H](O)CN1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000515347380 448293114 /nfs/dbraw/zinc/29/31/14/448293114.db2.gz DPVRPUDDUPKKDK-QUCCMNQESA-N 1 3 348.535 1.095 20 0 EDADHO C[C@H](CCNC[C@H](O)CN1CCN(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000515347380 448293117 /nfs/dbraw/zinc/29/31/17/448293117.db2.gz DPVRPUDDUPKKDK-QUCCMNQESA-N 1 3 348.535 1.095 20 0 EDADHO [NH3+]C[C@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000515382878 448304580 /nfs/dbraw/zinc/30/45/80/448304580.db2.gz DKNUPIHKKYTWLU-ROUUACIJSA-N 1 3 330.476 1.927 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000572410228 448372311 /nfs/dbraw/zinc/37/23/11/448372311.db2.gz SZNMYWXPNAXKKV-UHFFFAOYSA-N 1 3 330.476 1.779 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C3CCOCC3)CC2)cc1 ZINC000516185701 448393643 /nfs/dbraw/zinc/39/36/43/448393643.db2.gz KECKAGHDHGKVJD-KRWDZBQOSA-N 1 3 333.476 1.534 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000572649090 448431978 /nfs/dbraw/zinc/43/19/78/448431978.db2.gz ZXOPJFJOCALMAU-IYBDPMFKSA-N 1 3 346.475 1.013 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC[C@H](O)CN1CCN(C)CC1 ZINC000516862186 448484701 /nfs/dbraw/zinc/48/47/01/448484701.db2.gz NZFSKSPIXIVPTF-FQEVSTJZSA-N 1 3 348.535 1.225 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](O)CN1CCN(C)CC1 ZINC000516862186 448484702 /nfs/dbraw/zinc/48/47/02/448484702.db2.gz NZFSKSPIXIVPTF-FQEVSTJZSA-N 1 3 348.535 1.225 20 0 EDADHO CN1CCN(CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000516864786 448485726 /nfs/dbraw/zinc/48/57/26/448485726.db2.gz OQBZABPUHDWGJD-SFHVURJKSA-N 1 3 332.492 1.610 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999022 448519675 /nfs/dbraw/zinc/51/96/75/448519675.db2.gz ANPGMVVZXQLGJW-XWIAVFTESA-N 1 3 328.460 1.737 20 0 EDADHO CCc1[nH]nc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1C ZINC000566631507 448525913 /nfs/dbraw/zinc/52/59/13/448525913.db2.gz YWIMLABSUYPLGS-UHFFFAOYSA-N 1 3 347.507 2.415 20 0 EDADHO CC(C)COC[C@@H](O)C[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000567042780 448602766 /nfs/dbraw/zinc/60/27/66/448602766.db2.gz VZKWYNMMFBPBNH-SFHVURJKSA-N 1 3 327.513 1.168 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000567275548 448656556 /nfs/dbraw/zinc/65/65/56/448656556.db2.gz QELPKSWRCPWETQ-UHFFFAOYSA-N 1 3 346.460 1.043 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000578756764 448627585 /nfs/dbraw/zinc/62/75/85/448627585.db2.gz NBGRZWMICCSWII-DSLXNQLJSA-N 1 3 349.544 1.946 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529110122 448764048 /nfs/dbraw/zinc/76/40/48/448764048.db2.gz PHWRMMALCOECAW-HNNXBMFYSA-N 1 3 334.468 1.583 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529110122 448764052 /nfs/dbraw/zinc/76/40/52/448764052.db2.gz PHWRMMALCOECAW-HNNXBMFYSA-N 1 3 334.468 1.583 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000579260291 448756480 /nfs/dbraw/zinc/75/64/80/448756480.db2.gz KSCGHYSZYBDWRH-SJLPKXTDSA-N 1 3 332.492 1.800 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592391390 448820722 /nfs/dbraw/zinc/82/07/22/448820722.db2.gz OYEOISFYROQJKU-LMMKCTJWSA-N 1 3 341.540 1.509 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592391390 448820728 /nfs/dbraw/zinc/82/07/28/448820728.db2.gz OYEOISFYROQJKU-LMMKCTJWSA-N 1 3 341.540 1.509 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CC[NH2+]CC1 ZINC000519756242 448835814 /nfs/dbraw/zinc/83/58/14/448835814.db2.gz XTLGBLCFSCAOPU-SFHVURJKSA-N 1 3 345.491 1.830 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000546732775 448846799 /nfs/dbraw/zinc/84/67/99/448846799.db2.gz PWXPJPJKPKGNNI-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000546732775 448846803 /nfs/dbraw/zinc/84/68/03/448846803.db2.gz PWXPJPJKPKGNNI-IRXDYDNUSA-N 1 3 339.528 1.042 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@H](C)OC)CC2)CC1 ZINC000579729420 448867013 /nfs/dbraw/zinc/86/70/13/448867013.db2.gz LXQBOQSGYOTPAT-HNNXBMFYSA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC000589841224 449067641 /nfs/dbraw/zinc/06/76/41/449067641.db2.gz JIHXAECCYXHFPA-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO COC(=O)CCN1CCC[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895726 449239043 /nfs/dbraw/zinc/23/90/43/449239043.db2.gz TYIBKJMZECPTLJ-HZPDHXFCSA-N 1 3 337.464 1.005 20 0 EDADHO COC(=O)CCC[C@@H]1CCC[C@@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000600715419 449512974 /nfs/dbraw/zinc/51/29/74/449512974.db2.gz YBGLKDJFHXBRQB-ZMSDIMECSA-N 1 3 349.479 1.804 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)Oc1ccccc1 ZINC000607245052 449590039 /nfs/dbraw/zinc/59/00/39/449590039.db2.gz BEMGQVCFJFHMDQ-INIZCTEOSA-N 1 3 336.480 1.589 20 0 EDADHO C[C@@H]1CCCC(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)(N(C)C)C1 ZINC000602468060 449613447 /nfs/dbraw/zinc/61/34/47/449613447.db2.gz JCFCJEUIEJXVBY-KKAKJJSRSA-N 1 3 343.537 1.114 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000617505909 449651771 /nfs/dbraw/zinc/65/17/71/449651771.db2.gz VBENKROEGAKQPP-IRXDYDNUSA-N 1 3 326.529 1.639 20 0 EDADHO Cc1csc([C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n1 ZINC000617507691 449658162 /nfs/dbraw/zinc/65/81/62/449658162.db2.gz GALIFWJMHQRQMV-JSGCOSHPSA-N 1 3 326.510 1.943 20 0 EDADHO Cc1csc([C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n1 ZINC000617507691 449658169 /nfs/dbraw/zinc/65/81/69/449658169.db2.gz GALIFWJMHQRQMV-JSGCOSHPSA-N 1 3 326.510 1.943 20 0 EDADHO CCN1CCN(CCCC[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602512633 449641509 /nfs/dbraw/zinc/64/15/09/449641509.db2.gz WUNZUONEQYGWJK-UHFFFAOYSA-N 1 3 336.480 1.617 20 0 EDADHO Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C2 ZINC000617503572 449646234 /nfs/dbraw/zinc/64/62/34/449646234.db2.gz PAAWKQMKJCNHQL-DOTOQJQBSA-N 1 3 333.476 1.687 20 0 EDADHO Cc1cccc2c1O[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C2 ZINC000617503572 449646237 /nfs/dbraw/zinc/64/62/37/449646237.db2.gz PAAWKQMKJCNHQL-DOTOQJQBSA-N 1 3 333.476 1.687 20 0 EDADHO COC(=O)CC1CCC([NH2+]C2CCN(CCN(C)C)CC2)CC1 ZINC000599019901 449700494 /nfs/dbraw/zinc/70/04/94/449700494.db2.gz OQRYZCXYIUOVTA-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744836 /nfs/dbraw/zinc/74/48/36/449744836.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 1 3 345.487 1.744 20 0 EDADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744841 /nfs/dbraw/zinc/74/48/41/449744841.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 1 3 345.487 1.744 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000608709075 449917095 /nfs/dbraw/zinc/91/70/95/449917095.db2.gz KKUVOFSVFIEFMJ-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO COC(=O)CCN1CC[C@@H](N2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000595403137 450116523 /nfs/dbraw/zinc/11/65/23/450116523.db2.gz CIGKZORZDVDFCI-MRXNPFEDSA-N 1 3 339.480 1.204 20 0 EDADHO COC(=O)C[C@@]1(NCc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000613334417 450137257 /nfs/dbraw/zinc/13/72/57/450137257.db2.gz HAGIVVKDYGHQSC-SFHVURJKSA-N 1 3 336.432 1.439 20 0 EDADHO CN(C)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000603900208 450374309 /nfs/dbraw/zinc/37/43/09/450374309.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO CN(C)[C@H](C(=O)NCCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000603900208 450374313 /nfs/dbraw/zinc/37/43/13/450374313.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO CN(C)[C@H](C(=O)NCCC[N@@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603900208 450374316 /nfs/dbraw/zinc/37/43/16/450374316.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO CN(C)[C@H](C(=O)NCCC[N@H+]1CCCN(C)CC1)c1ccccc1 ZINC000603900208 450374320 /nfs/dbraw/zinc/37/43/20/450374320.db2.gz YILOVDMAROBOHF-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000620747139 450538201 /nfs/dbraw/zinc/53/82/01/450538201.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)[C@@H]1C ZINC000620747139 450538203 /nfs/dbraw/zinc/53/82/03/450538203.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000620747139 450538205 /nfs/dbraw/zinc/53/82/05/450538205.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO CC(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000620747139 450538206 /nfs/dbraw/zinc/53/82/06/450538206.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 1 3 340.512 1.115 20 0 EDADHO C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N1[C@H](C)CC[C@@H]1C ZINC000620967402 450566826 /nfs/dbraw/zinc/56/68/26/450566826.db2.gz SHBBSVUKBXGHFV-YYIAUSFCSA-N 1 3 325.497 1.817 20 0 EDADHO C[C@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984327 450660798 /nfs/dbraw/zinc/66/07/98/450660798.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 1 3 327.436 1.186 20 0 EDADHO C[C@H]1C[C@H](N(C)c2nc(N)nc(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000623984327 450660801 /nfs/dbraw/zinc/66/08/01/450660801.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 1 3 327.436 1.186 20 0 EDADHO CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000627380648 450691412 /nfs/dbraw/zinc/69/14/12/450691412.db2.gz VMJZVYYUTPCWTL-AWEZNQCLSA-N 1 3 334.464 1.039 20 0 EDADHO CCN(CCN)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397923 450703907 /nfs/dbraw/zinc/70/39/07/450703907.db2.gz ZBFFXXGEPGINPU-UHFFFAOYSA-N 1 3 338.496 1.099 20 0 EDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113471 450709766 /nfs/dbraw/zinc/70/97/66/450709766.db2.gz GQBGEANGMROGQL-KFWWJZLASA-N 1 3 329.452 1.023 20 0 EDADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113471 450709773 /nfs/dbraw/zinc/70/97/73/450709773.db2.gz GQBGEANGMROGQL-KFWWJZLASA-N 1 3 329.452 1.023 20 0 EDADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122510 450715807 /nfs/dbraw/zinc/71/58/07/450715807.db2.gz TWWSFVLTLILJAV-ZIAGYGMSSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H](NC1CN(c2ccncn2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000631746096 450747960 /nfs/dbraw/zinc/74/79/60/450747960.db2.gz BWKRVBKQDYRBAP-OAHLLOKOSA-N 1 3 341.459 1.956 20 0 EDADHO COc1ccc(CN2CC[C@@H]2CNC[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000629590875 450752742 /nfs/dbraw/zinc/75/27/42/450752742.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 1 3 333.476 1.314 20 0 EDADHO COc1ccc(CN2CC[C@@H]2CNC[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000629590875 450752745 /nfs/dbraw/zinc/75/27/45/450752745.db2.gz VFJCKOISQYOZKG-MSOLQXFVSA-N 1 3 333.476 1.314 20 0 EDADHO COC1(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCCC1 ZINC000629649473 450770164 /nfs/dbraw/zinc/77/01/64/450770164.db2.gz BYRSUMXXWIGTJZ-MRXNPFEDSA-N 1 3 347.507 1.958 20 0 EDADHO COC1(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)CCCC1 ZINC000629649473 450770167 /nfs/dbraw/zinc/77/01/67/450770167.db2.gz BYRSUMXXWIGTJZ-MRXNPFEDSA-N 1 3 347.507 1.958 20 0 EDADHO CN1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000635508185 451002948 /nfs/dbraw/zinc/00/29/48/451002948.db2.gz SQPDJOJMDCOYIW-AWEZNQCLSA-N 1 3 345.447 1.128 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000626934642 451017670 /nfs/dbraw/zinc/01/76/70/451017670.db2.gz KOQKBMXTGQYANY-QGZVFWFLSA-N 1 3 334.464 1.359 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626939932 451021525 /nfs/dbraw/zinc/02/15/25/451021525.db2.gz PNPXNATWBZUSTJ-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012906 451077585 /nfs/dbraw/zinc/07/75/85/451077585.db2.gz JOKNINHUBIBDAD-DOTOQJQBSA-N 1 3 346.475 1.314 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000627050825 451101592 /nfs/dbraw/zinc/10/15/92/451101592.db2.gz UXMCWDMMHGXLDA-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000633956591 451121800 /nfs/dbraw/zinc/12/18/00/451121800.db2.gz IDLJYDNFUOFDEM-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000633953873 451121820 /nfs/dbraw/zinc/12/18/20/451121820.db2.gz HWLTVUQISLSNTC-QGZVFWFLSA-N 1 3 334.508 1.243 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085322 451249658 /nfs/dbraw/zinc/24/96/58/451249658.db2.gz XUCOKAUJJRIILV-JTOWHCCKSA-N 1 3 325.497 1.626 20 0 EDADHO CO[C@@H]1CN[C@@](C)(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085322 451249661 /nfs/dbraw/zinc/24/96/61/451249661.db2.gz XUCOKAUJJRIILV-JTOWHCCKSA-N 1 3 325.497 1.626 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CCN1Cc1ccccc1 ZINC000638103480 451270813 /nfs/dbraw/zinc/27/08/13/451270813.db2.gz OTBSNQPJGLJTHA-YVWKXTFCSA-N 1 3 345.487 1.911 20 0 EDADHO CCO[C@@H]1C[C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C12CCOCC2 ZINC000630683095 451337743 /nfs/dbraw/zinc/33/77/43/451337743.db2.gz YUPCXKIKKBVJLI-IAGOWNOFSA-N 1 3 346.475 1.877 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000632463357 451313425 /nfs/dbraw/zinc/31/34/25/451313425.db2.gz KVCQVZLDHGZLJI-XWTMOSNGSA-N 1 3 336.524 1.392 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000632463357 451313432 /nfs/dbraw/zinc/31/34/32/451313432.db2.gz KVCQVZLDHGZLJI-XWTMOSNGSA-N 1 3 336.524 1.392 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000630748838 451382203 /nfs/dbraw/zinc/38/22/03/451382203.db2.gz XNUPVHPENDLYBR-UHFFFAOYSA-N 1 3 335.496 1.687 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630751595 451383167 /nfs/dbraw/zinc/38/31/67/451383167.db2.gz SOSHZEPMBBUFFI-HZPDHXFCSA-N 1 3 335.496 1.543 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)CCCN2CCCC2)C1 ZINC000632545180 451387574 /nfs/dbraw/zinc/38/75/74/451387574.db2.gz XUENOMDURCIPKC-HNNXBMFYSA-N 1 3 331.526 1.512 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)CCCN2CCCC2)C1 ZINC000632545180 451387579 /nfs/dbraw/zinc/38/75/79/451387579.db2.gz XUENOMDURCIPKC-HNNXBMFYSA-N 1 3 331.526 1.512 20 0 EDADHO CO[C@H](CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184627 451344380 /nfs/dbraw/zinc/34/43/80/451344380.db2.gz ZGEMSGFGURBNSP-BSDSXHPESA-N 1 3 326.481 1.612 20 0 EDADHO O=S(=O)(CCCN1CCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000632578770 451420591 /nfs/dbraw/zinc/42/05/91/451420591.db2.gz DHRNRWCUVANIRB-QGZVFWFLSA-N 1 3 343.537 1.514 20 0 EDADHO O=S(=O)(CCCN1CCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000632578770 451420597 /nfs/dbraw/zinc/42/05/97/451420597.db2.gz DHRNRWCUVANIRB-QGZVFWFLSA-N 1 3 343.537 1.514 20 0 EDADHO O[C@@]1(C[NH2+]CCCCN2CCOCC2)CCN(Cc2ccccc2)C1 ZINC000634642722 451436524 /nfs/dbraw/zinc/43/65/24/451436524.db2.gz PKTRYBTUHSFCRO-HXUWFJFHSA-N 1 3 347.503 1.325 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC(C)(C)C[NH+](C)C)ccc2[nH]c1=O ZINC000636012247 451437141 /nfs/dbraw/zinc/43/71/41/451437141.db2.gz HVBAJJLFDPHPQW-UHFFFAOYSA-N 1 3 347.463 1.374 20 0 EDADHO O[C@]1(C[NH2+]C[C@@H]2CCN(C3CC3)C2)CCN(Cc2ccccc2)C1 ZINC000634700874 451474688 /nfs/dbraw/zinc/47/46/88/451474688.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 1 3 329.488 1.697 20 0 EDADHO CN(C)CCOc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000638380794 451474929 /nfs/dbraw/zinc/47/49/29/451474929.db2.gz FAFVQRJYTTXVJM-UHFFFAOYSA-N 1 3 335.492 1.827 20 0 EDADHO Cn1ncnc1CNCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638381529 451475277 /nfs/dbraw/zinc/47/52/77/451475277.db2.gz MILDXDGKNDZBPG-UHFFFAOYSA-N 1 3 342.491 1.503 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000638400726 451489695 /nfs/dbraw/zinc/48/96/95/451489695.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000638400726 451489699 /nfs/dbraw/zinc/48/96/99/451489699.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 1 3 344.503 1.579 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000636920226 451608084 /nfs/dbraw/zinc/60/80/84/451608084.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 1 3 346.475 1.015 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCCN2CC[C@H](O)C2)C[N@H+]1Cc1ccccc1 ZINC000636920226 451608087 /nfs/dbraw/zinc/60/80/87/451608087.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 1 3 346.475 1.015 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636987430 451663853 /nfs/dbraw/zinc/66/38/53/451663853.db2.gz ALOWLCZENDMSCC-CQSZACIVSA-N 1 3 333.436 1.064 20 0 EDADHO CN1CCC(n2cc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000638977563 451744686 /nfs/dbraw/zinc/74/46/86/451744686.db2.gz MJBFHBDFMYADRC-GFCCVEGCSA-N 1 3 343.435 1.202 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004676 451751417 /nfs/dbraw/zinc/75/14/17/451751417.db2.gz IVRDTDJRVGIXOR-JLAWEPINSA-N 1 3 345.487 1.972 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCOC1 ZINC000637262735 451773620 /nfs/dbraw/zinc/77/36/20/451773620.db2.gz BWIMSCJXHKTCMQ-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCOC1 ZINC000637262735 451773622 /nfs/dbraw/zinc/77/36/22/451773622.db2.gz BWIMSCJXHKTCMQ-HOTGVXAUSA-N 1 3 328.501 1.374 20 0 EDADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313538 451821483 /nfs/dbraw/zinc/82/14/83/451821483.db2.gz XHPFQHNCQOQQGU-OAGGEKHMSA-N 1 3 327.513 1.309 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccnc1C ZINC000637428162 451849757 /nfs/dbraw/zinc/84/97/57/451849757.db2.gz AKYDVLCCIRSSAC-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccnc1C ZINC000637428162 451849760 /nfs/dbraw/zinc/84/97/60/451849760.db2.gz AKYDVLCCIRSSAC-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000642440140 451879558 /nfs/dbraw/zinc/87/95/58/451879558.db2.gz XCSJBHOFWIWIOK-PBHICJAKSA-N 1 3 346.475 1.313 20 0 EDADHO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646858228 451894285 /nfs/dbraw/zinc/89/42/85/451894285.db2.gz RWYMPFMQKMZNSZ-UHFFFAOYSA-N 1 3 347.463 1.614 20 0 EDADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)COC1(C)CNC1 ZINC000649280646 451952108 /nfs/dbraw/zinc/95/21/08/451952108.db2.gz BAMMLFBFPIJABE-UHFFFAOYSA-N 1 3 339.505 1.797 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(N)CCN(C)C2)cc1 ZINC000649284907 451957931 /nfs/dbraw/zinc/95/79/31/451957931.db2.gz LDTSTUHANLMUGU-GOSISDBHSA-N 1 3 334.464 1.379 20 0 EDADHO CC[NH+](CC)Cc1cccc(NC(=O)CN2CCCC[C@@H](N)C2=O)c1 ZINC000649295365 451971723 /nfs/dbraw/zinc/97/17/23/451971723.db2.gz DKLSKQXKXGOIBA-QGZVFWFLSA-N 1 3 346.475 1.807 20 0 EDADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327001 452006505 /nfs/dbraw/zinc/00/65/05/452006505.db2.gz NIUSDAJFGLERTC-HZPDHXFCSA-N 1 3 331.464 1.047 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000649327240 452007222 /nfs/dbraw/zinc/00/72/22/452007222.db2.gz SKWHWUPEHAXLDG-IMJJTQAJSA-N 1 3 331.464 1.576 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CNCCC2(F)F)[C@@H](C)C1 ZINC000649334408 452014783 /nfs/dbraw/zinc/01/47/83/452014783.db2.gz DKZZZQKLWKZOKG-KKUMJFAQSA-N 1 3 347.450 1.484 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CNCCC2(F)F)[C@@H](C)C1 ZINC000649334408 452014786 /nfs/dbraw/zinc/01/47/86/452014786.db2.gz DKZZZQKLWKZOKG-KKUMJFAQSA-N 1 3 347.450 1.484 20 0 EDADHO O[C@H](COC[C@H]1CCCO1)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682103 452020545 /nfs/dbraw/zinc/02/05/45/452020545.db2.gz KSCGGKVSOMKHRW-ZWKOTPCHSA-N 1 3 335.448 1.150 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cccs1 ZINC000649340984 452021522 /nfs/dbraw/zinc/02/15/22/452021522.db2.gz FHXHIPYPGWFRTK-YCPHGPKFSA-N 1 3 337.489 1.483 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000649360459 452039887 /nfs/dbraw/zinc/03/98/87/452039887.db2.gz YOCLJRHNHHMMET-IBGZPJMESA-N 1 3 331.460 1.843 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000649374308 452049345 /nfs/dbraw/zinc/04/93/45/452049345.db2.gz JNEFYLXQOVIKFG-DOTOQJQBSA-N 1 3 345.491 1.180 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418266 452079627 /nfs/dbraw/zinc/07/96/27/452079627.db2.gz RFNBRNUZZUCHIE-IKGGRYGDSA-N 1 3 345.491 1.627 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799980 452088475 /nfs/dbraw/zinc/08/84/75/452088475.db2.gz UNXQBDXXXFCBKU-PKOBYXMFSA-N 1 3 333.476 1.941 20 0 EDADHO C[NH+]1CCC2(CCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000639758584 452096276 /nfs/dbraw/zinc/09/62/76/452096276.db2.gz VLHPQKGBVPEJLK-UHFFFAOYSA-N 1 3 334.464 1.269 20 0 EDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455479 452232551 /nfs/dbraw/zinc/23/25/51/452232551.db2.gz JYGUAGDYDPFDPV-GUDVDZBRSA-N 1 3 338.540 1.293 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)c2conc2C(C)(C)N)CC1 ZINC000655450886 452245907 /nfs/dbraw/zinc/24/59/07/452245907.db2.gz FCRRUTYFNFQNNF-UHFFFAOYSA-N 1 3 338.452 1.488 20 0 EDADHO CCc1cccc(OC[C@@H](O)CNCCC[NH+]2CCC(O)CC2)c1 ZINC000647517896 452251151 /nfs/dbraw/zinc/25/11/51/452251151.db2.gz RZBYPPHSHLYGFP-SFHVURJKSA-N 1 3 336.476 1.425 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659432648 452280015 /nfs/dbraw/zinc/28/00/15/452280015.db2.gz HKLSQNBCKGLDPV-UHFFFAOYSA-N 1 3 332.448 1.260 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000665760309 452333563 /nfs/dbraw/zinc/33/35/63/452333563.db2.gz FVUPJYNYZMBHCZ-KLIQENQMSA-N 1 3 344.503 1.896 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000665760309 452333572 /nfs/dbraw/zinc/33/35/72/452333572.db2.gz FVUPJYNYZMBHCZ-KLIQENQMSA-N 1 3 344.503 1.896 20 0 EDADHO [NH3+]C[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCOC1 ZINC000638067624 452371399 /nfs/dbraw/zinc/37/13/99/452371399.db2.gz SGDXTMIIDQEEKX-IBGZPJMESA-N 1 3 347.459 1.337 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638069491 452372624 /nfs/dbraw/zinc/37/26/24/452372624.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 1 3 332.492 1.436 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638069491 452372627 /nfs/dbraw/zinc/37/26/27/452372627.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 1 3 332.492 1.436 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659513906 452378086 /nfs/dbraw/zinc/37/80/86/452378086.db2.gz MCMHCZUWNHYDDJ-AEFFLSMTSA-N 1 3 346.475 1.052 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000645473514 452443039 /nfs/dbraw/zinc/44/30/39/452443039.db2.gz RGWJNLINFLYVTC-IBGZPJMESA-N 1 3 345.487 1.798 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659613481 452471573 /nfs/dbraw/zinc/47/15/73/452471573.db2.gz HUMPQAVHTLOEKP-MNQCNDSGSA-N 1 3 332.448 1.349 20 0 EDADHO CN1CC=C(CNc2cnc(NCC3=CC[N@H+](C)CC3)cn2)CC1 ZINC000663777325 452508017 /nfs/dbraw/zinc/50/80/17/452508017.db2.gz XORMJMKWBWOKRT-UHFFFAOYSA-N 1 3 328.464 1.824 20 0 EDADHO CN1CC=C(CNc2cnc(NCC3=CC[N@@H+](C)CC3)cn2)CC1 ZINC000663777325 452508027 /nfs/dbraw/zinc/50/80/27/452508027.db2.gz XORMJMKWBWOKRT-UHFFFAOYSA-N 1 3 328.464 1.824 20 0 EDADHO CN(C)S(=O)(=O)c1ccccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788480 452523054 /nfs/dbraw/zinc/52/30/54/452523054.db2.gz KDSGOWGICWYCQK-CWRNSKLLSA-N 1 3 337.489 1.415 20 0 EDADHO C[C@H](C1CC1)N(C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347411 452524030 /nfs/dbraw/zinc/52/40/30/452524030.db2.gz AHTXTUBZFCVOGZ-XZKMEQPCSA-N 1 3 349.519 1.994 20 0 EDADHO CNC(=O)c1cccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349031 452524786 /nfs/dbraw/zinc/52/47/86/452524786.db2.gz ZISVIYNSKPCQPQ-BZSNNMDCSA-N 1 3 331.460 1.765 20 0 EDADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H]1CCN ZINC000652354119 452532756 /nfs/dbraw/zinc/53/27/56/452532756.db2.gz NLPCTGCFBLPUHP-BBRMVZONSA-N 1 3 332.448 1.563 20 0 EDADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H]1CCN ZINC000652354119 452532765 /nfs/dbraw/zinc/53/27/65/452532765.db2.gz NLPCTGCFBLPUHP-BBRMVZONSA-N 1 3 332.448 1.563 20 0 EDADHO C[C@H]1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354119 452532772 /nfs/dbraw/zinc/53/27/72/452532772.db2.gz NLPCTGCFBLPUHP-BBRMVZONSA-N 1 3 332.448 1.563 20 0 EDADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000647833928 452567679 /nfs/dbraw/zinc/56/76/79/452567679.db2.gz UNEWGEMQWJCSIA-IEBWSBKVSA-N 1 3 344.503 1.750 20 0 EDADHO CN(CCc1nc(-c2cccc(Cl)c2)no1)CCN1CC[NH2+]CC1 ZINC000647835540 452572731 /nfs/dbraw/zinc/57/27/31/452572731.db2.gz AMZGHVAEEMMJCC-UHFFFAOYSA-N 1 3 349.866 1.770 20 0 EDADHO CO[C@](C)(CO)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000655807640 452589933 /nfs/dbraw/zinc/58/99/33/452589933.db2.gz MCBSBNDMDISMCZ-IBGZPJMESA-N 1 3 335.492 1.704 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000652522606 452724193 /nfs/dbraw/zinc/72/41/93/452724193.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 1 3 347.503 1.718 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000652522606 452724201 /nfs/dbraw/zinc/72/42/01/452724201.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 1 3 347.503 1.718 20 0 EDADHO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138427 452745981 /nfs/dbraw/zinc/74/59/81/452745981.db2.gz NEBMKPLALFZGTB-ZWKOTPCHSA-N 1 3 329.448 1.413 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652674900 452823597 /nfs/dbraw/zinc/82/35/97/452823597.db2.gz IRLCWABNCOVKBR-QGZVFWFLSA-N 1 3 346.475 1.013 20 0 EDADHO C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000654774009 452906438 /nfs/dbraw/zinc/90/64/38/452906438.db2.gz RBMIQSZFXCWTTA-PBHICJAKSA-N 1 3 333.480 1.215 20 0 EDADHO C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000654774009 452906445 /nfs/dbraw/zinc/90/64/45/452906445.db2.gz RBMIQSZFXCWTTA-PBHICJAKSA-N 1 3 333.480 1.215 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000658424233 452949197 /nfs/dbraw/zinc/94/91/97/452949197.db2.gz ZUUHAPBIMWLQFA-HNNXBMFYSA-N 1 3 348.491 1.923 20 0 EDADHO O=C(NC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccsc1 ZINC000662254222 452982948 /nfs/dbraw/zinc/98/29/48/452982948.db2.gz OPVNCLHZYVZAIQ-OAHLLOKOSA-N 1 3 335.473 1.463 20 0 EDADHO O[C@@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CCN2C1 ZINC000656272947 453002412 /nfs/dbraw/zinc/00/24/12/453002412.db2.gz LBSIRPYCLODNIR-RBUKOAKNSA-N 1 3 345.487 1.412 20 0 EDADHO CO[C@H](CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280625 453004649 /nfs/dbraw/zinc/00/46/49/453004649.db2.gz GGXZAEUBZSOIRH-YESZJQIVSA-N 1 3 336.480 1.022 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000662281532 453006553 /nfs/dbraw/zinc/00/65/53/453006553.db2.gz NCAXOVAXGYRIEZ-LSDHHAIUSA-N 1 3 336.484 1.189 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCCC[C@@H]1C ZINC000666627444 453020547 /nfs/dbraw/zinc/02/05/47/453020547.db2.gz RSWQFGLOFKHJNB-UONOGXRCSA-N 1 3 332.448 1.463 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100957 453101649 /nfs/dbraw/zinc/10/16/49/453101649.db2.gz SLNISVMSCPDUQF-OAHLLOKOSA-N 1 3 335.492 1.620 20 0 EDADHO Cc1ccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)N2CCCC2)cc1 ZINC000662426303 453132665 /nfs/dbraw/zinc/13/26/65/453132665.db2.gz WWPXHMHHFXZSRM-KRWDZBQOSA-N 1 3 342.447 1.112 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000666770414 453133947 /nfs/dbraw/zinc/13/39/47/453133947.db2.gz ZHMJOQZNLGLGFR-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662450135 453158348 /nfs/dbraw/zinc/15/83/48/453158348.db2.gz HJYDHWAHVAPCAV-ZIAGYGMSSA-N 1 3 334.468 1.195 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000666831452 453175839 /nfs/dbraw/zinc/17/58/39/453175839.db2.gz XGXPUCTVTJHOJH-RHSMWYFYSA-N 1 3 332.448 1.843 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000646214763 453227505 /nfs/dbraw/zinc/22/75/05/453227505.db2.gz IZNKMLBCUKLETK-HUUCEWRRSA-N 1 3 336.480 1.894 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)C1 ZINC000662575845 453303808 /nfs/dbraw/zinc/30/38/08/453303808.db2.gz QVXNWFXDMATQRI-NZSAHSFTSA-N 1 3 343.471 1.966 20 0 EDADHO CN(C)C1(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120813 453310165 /nfs/dbraw/zinc/31/01/65/453310165.db2.gz BGBALOMMXKKULQ-ZWKOTPCHSA-N 1 3 327.472 1.732 20 0 EDADHO N[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])C[C@H]1c1ccccc1F ZINC000653164367 453356519 /nfs/dbraw/zinc/35/65/19/453356519.db2.gz FVEYYWWTPQGOBL-FUHWJXTLSA-N 1 3 327.403 1.894 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000662674211 453390168 /nfs/dbraw/zinc/39/01/68/453390168.db2.gz ZYGPSCOHEBTRMO-MSOLQXFVSA-N 1 3 331.460 1.174 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000651246759 453391989 /nfs/dbraw/zinc/39/19/89/453391989.db2.gz LFYASONBJOYEMW-QGZVFWFLSA-N 1 3 340.512 1.326 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223286 453411416 /nfs/dbraw/zinc/41/14/16/453411416.db2.gz HUOJOCHIVMNXTD-JOQOYGCGSA-N 1 3 335.423 1.433 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223287 453411491 /nfs/dbraw/zinc/41/14/91/453411491.db2.gz HUOJOCHIVMNXTD-SIIHOXLZSA-N 1 3 335.423 1.433 20 0 EDADHO COc1cccc([C@]2(C)CC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)c1 ZINC000656792125 453448047 /nfs/dbraw/zinc/44/80/47/453448047.db2.gz NTGUVADTFULWAH-OXQOHEQNSA-N 1 3 345.487 1.856 20 0 EDADHO COc1cccc([C@]2(C)CC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)c1 ZINC000656792125 453448049 /nfs/dbraw/zinc/44/80/49/453448049.db2.gz NTGUVADTFULWAH-OXQOHEQNSA-N 1 3 345.487 1.856 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757069 453493955 /nfs/dbraw/zinc/49/39/55/453493955.db2.gz KEUZHZRJAVAOQW-QZTJIDSGSA-N 1 3 346.475 1.126 20 0 EDADHO CN(C)C[C@@H]1CCCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662789236 453524127 /nfs/dbraw/zinc/52/41/27/453524127.db2.gz VJABIGPGEAYMJV-CABCVRRESA-N 1 3 334.468 1.149 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000662857355 453572594 /nfs/dbraw/zinc/57/25/94/453572594.db2.gz AIVYUTWCAGFWHD-KZNAEPCWSA-N 1 3 331.460 1.387 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662857583 453574031 /nfs/dbraw/zinc/57/40/31/453574031.db2.gz BKKQASGKVBEFGW-SJLPKXTDSA-N 1 3 331.460 1.259 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cnc3c(c2)CNCC3)CCO1 ZINC000659018317 453583028 /nfs/dbraw/zinc/58/30/28/453583028.db2.gz HLCCGVQSLBMNMQ-INIZCTEOSA-N 1 3 347.463 1.302 20 0 EDADHO CC(C)(N)c1nocc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662877718 453584482 /nfs/dbraw/zinc/58/44/82/453584482.db2.gz FVXFNCKQEVFIGK-CQSZACIVSA-N 1 3 330.388 1.782 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660826508 453590480 /nfs/dbraw/zinc/59/04/80/453590480.db2.gz AZKDCFXRQLJKAV-IRXDYDNUSA-N 1 3 340.512 1.515 20 0 EDADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659034555 453591404 /nfs/dbraw/zinc/59/14/04/453591404.db2.gz OGGLPFDYCZCKAH-RHSMWYFYSA-N 1 3 332.448 1.811 20 0 EDADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3CNCCO3)cc2)C1 ZINC000659034555 453591407 /nfs/dbraw/zinc/59/14/07/453591407.db2.gz OGGLPFDYCZCKAH-RHSMWYFYSA-N 1 3 332.448 1.811 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2NCc3ccccc32)CCO1 ZINC000662971681 453630913 /nfs/dbraw/zinc/63/09/13/453630913.db2.gz CZQUPOCUKJTVLQ-SJLPKXTDSA-N 1 3 331.460 1.790 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003280 453643883 /nfs/dbraw/zinc/64/38/83/453643883.db2.gz LGCBJXYZTHKSPP-MDZRGWNJSA-N 1 3 337.508 1.757 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003280 453643886 /nfs/dbraw/zinc/64/38/86/453643886.db2.gz LGCBJXYZTHKSPP-MDZRGWNJSA-N 1 3 337.508 1.757 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000657284644 453758527 /nfs/dbraw/zinc/75/85/27/453758527.db2.gz UDCATDHNOUTVMW-SFHVURJKSA-N 1 3 344.503 1.834 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661210366 453760402 /nfs/dbraw/zinc/76/04/02/453760402.db2.gz LQNLBSVTQAPKTN-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000661210366 453760406 /nfs/dbraw/zinc/76/04/06/453760406.db2.gz LQNLBSVTQAPKTN-NVXWUHKLSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C(=O)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000663358993 453777573 /nfs/dbraw/zinc/77/75/73/453777573.db2.gz BQPZEYIYYAFQPV-MRXNPFEDSA-N 1 3 346.475 1.217 20 0 EDADHO CN(C(=O)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000663358993 453777575 /nfs/dbraw/zinc/77/75/75/453777575.db2.gz BQPZEYIYYAFQPV-MRXNPFEDSA-N 1 3 346.475 1.217 20 0 EDADHO CN(C(=O)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000663358993 453777576 /nfs/dbraw/zinc/77/75/76/453777576.db2.gz BQPZEYIYYAFQPV-MRXNPFEDSA-N 1 3 346.475 1.217 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cc(C(F)(F)F)nn2C)CC1 ZINC000657399223 453781318 /nfs/dbraw/zinc/78/13/18/453781318.db2.gz QXJDKNUROCZHGH-UHFFFAOYSA-N 1 3 334.386 1.764 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000672699749 486769001 /nfs/dbraw/zinc/76/90/01/486769001.db2.gz FLLFCNXVAAFMAC-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000667507387 486814018 /nfs/dbraw/zinc/81/40/18/486814018.db2.gz QXRDBKLMYPOGBT-INIZCTEOSA-N 1 3 346.475 1.725 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@H](C)C1 ZINC000667799541 486970047 /nfs/dbraw/zinc/97/00/47/486970047.db2.gz XQMILADSTMMXEY-CXAGYDPISA-N 1 3 331.464 1.921 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)CNCC3)[C@H](C)C1 ZINC000667799541 486970051 /nfs/dbraw/zinc/97/00/51/486970051.db2.gz XQMILADSTMMXEY-CXAGYDPISA-N 1 3 331.464 1.921 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000681211915 486975024 /nfs/dbraw/zinc/97/50/24/486975024.db2.gz XFRHTYBAFPNBHT-RTBURBONSA-N 1 3 346.519 1.868 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812753 486978244 /nfs/dbraw/zinc/97/82/44/486978244.db2.gz VXFHUKWUIKRLLN-QGZVFWFLSA-N 1 3 348.491 1.507 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812753 486978248 /nfs/dbraw/zinc/97/82/48/486978248.db2.gz VXFHUKWUIKRLLN-QGZVFWFLSA-N 1 3 348.491 1.507 20 0 EDADHO CC(C)(CNC1CC[NH+](Cc2ccccc2)CC1)NS(C)(=O)=O ZINC000109040882 487265528 /nfs/dbraw/zinc/26/55/28/487265528.db2.gz FEUFUCKWSUEDNM-UHFFFAOYSA-N 1 3 339.505 1.568 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)CC1 ZINC000675874632 487455178 /nfs/dbraw/zinc/45/51/78/487455178.db2.gz PCWVFMLCKUFBGP-BBBYJDLNSA-N 1 3 349.441 1.981 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942716 485476209 /nfs/dbraw/zinc/47/62/09/485476209.db2.gz MFEZOEOXCQWOSF-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1)N(C)C ZINC000669583456 485632004 /nfs/dbraw/zinc/63/20/04/485632004.db2.gz DDJKFXNDWHZDCS-JZXOWHBKSA-N 1 3 348.491 1.664 20 0 EDADHO CC(C)Oc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])N(C)C)cc1 ZINC000669586763 485637568 /nfs/dbraw/zinc/63/75/68/485637568.db2.gz SXNMFPYTBCIWNR-FUTAKVPZSA-N 1 3 334.464 1.891 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CCN(CC)C1 ZINC000669145101 485733301 /nfs/dbraw/zinc/73/33/01/485733301.db2.gz IVNVZLDDKRPQFF-GJZGRUSLSA-N 1 3 340.512 1.022 20 0 EDADHO CN1CCC(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000668626585 485966554 /nfs/dbraw/zinc/96/65/54/485966554.db2.gz CDLAIHAZFADDCP-MAUKXSAKSA-N 1 3 348.466 1.912 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000669323279 485969577 /nfs/dbraw/zinc/96/95/77/485969577.db2.gz GXYVRZZTUANPQY-SZMVWBNQSA-N 1 3 346.475 1.581 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000669403295 486073530 /nfs/dbraw/zinc/07/35/30/486073530.db2.gz SODFCYZUYIDCNI-CGTJXYLNSA-N 1 3 348.466 1.912 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669426316 486147145 /nfs/dbraw/zinc/14/71/45/486147145.db2.gz HZVNJIQBAPFPHA-WBVHZDCISA-N 1 3 346.475 1.378 20 0 EDADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000669508991 486291699 /nfs/dbraw/zinc/29/16/99/486291699.db2.gz ZEQHMSFKCRETTI-HOTGVXAUSA-N 1 3 331.391 1.693 20 0 EDADHO COC1CCN(CCNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000080056175 491170112 /nfs/dbraw/zinc/17/01/12/491170112.db2.gz GNTWLTDHLVFKJY-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO COCC[NH2+]CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418497953 518061737 /nfs/dbraw/zinc/06/17/37/518061737.db2.gz KWZJLQHYIORRHG-UHFFFAOYSA-N 1 3 348.491 1.528 20 0 EDADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000236951811 535716657 /nfs/dbraw/zinc/71/66/57/535716657.db2.gz PJJVJMZWXYCUCZ-VQIMIIECSA-N 1 3 344.503 1.091 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247657095 536860429 /nfs/dbraw/zinc/86/04/29/536860429.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000247657095 536860432 /nfs/dbraw/zinc/86/04/32/536860432.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 1 3 340.512 1.517 20 0 EDADHO COc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000332060200 537103226 /nfs/dbraw/zinc/10/32/26/537103226.db2.gz PEJMSEUIKDTTKW-UHFFFAOYSA-N 1 3 346.475 1.308 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727081865 578517378 /nfs/dbraw/zinc/51/73/78/578517378.db2.gz ICFVPDWXARYQJQ-OAHLLOKOSA-N 1 3 344.569 1.491 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCN1CCCO[C@H](C)C1 ZINC000761550475 580059147 /nfs/dbraw/zinc/05/91/47/580059147.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 1 3 342.553 1.436 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=S)NCCCN1CCCO[C@H](C)C1 ZINC000761550475 580059148 /nfs/dbraw/zinc/05/91/48/580059148.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 1 3 342.553 1.436 20 0 EDADHO CCOC(=O)N1CC[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769935338 580248903 /nfs/dbraw/zinc/24/89/03/580248903.db2.gz NNQHTWPNFNJAJM-MRXNPFEDSA-N 1 3 335.448 1.947 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000782638864 580581546 /nfs/dbraw/zinc/58/15/46/580581546.db2.gz WQMGZLQAPXEBDT-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785417805 580643314 /nfs/dbraw/zinc/64/33/14/580643314.db2.gz MCOBOINNZHPOSM-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000787636950 580700354 /nfs/dbraw/zinc/70/03/54/580700354.db2.gz ZSPQFLBNJCYMDV-ULJNDFNZSA-N 1 3 343.471 1.660 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1 ZINC000787636950 580700355 /nfs/dbraw/zinc/70/03/55/580700355.db2.gz ZSPQFLBNJCYMDV-ULJNDFNZSA-N 1 3 343.471 1.660 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818802 590636023 /nfs/dbraw/zinc/63/60/23/590636023.db2.gz YKDYNLDMGKOEEK-SZMVWBNQSA-N 1 3 330.476 1.934 20 0 EDADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)N(C)C)cc1 ZINC000891922154 590689374 /nfs/dbraw/zinc/68/93/74/590689374.db2.gz GOPADTFYMMSIEX-DZKIICNBSA-N 1 3 334.489 1.767 20 0 EDADHO N[C@@H](CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000892031270 590759672 /nfs/dbraw/zinc/75/96/72/590759672.db2.gz UHINNTJXAKOOEX-ROUUACIJSA-N 1 3 326.444 1.946 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000892098094 590797938 /nfs/dbraw/zinc/79/79/38/590797938.db2.gz XFBYOPGGSQKCCN-HOCLYGCPSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CCN1c1ccncc1 ZINC000892158257 590830583 /nfs/dbraw/zinc/83/05/83/590830583.db2.gz GBHUKRJAGFIXAE-HZPDHXFCSA-N 1 3 331.464 1.834 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892163277 590833883 /nfs/dbraw/zinc/83/38/83/590833883.db2.gz LYXMYCBKRQZUKD-HZPDHXFCSA-N 1 3 331.464 1.834 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000893418588 590858435 /nfs/dbraw/zinc/85/84/35/590858435.db2.gz YVUAVDKHLNZJPE-NVXWUHKLSA-N 1 3 342.553 1.797 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342699 590970991 /nfs/dbraw/zinc/97/09/91/590970991.db2.gz MLTGIHDSSUVOOB-KBXCAEBGSA-N 1 3 330.476 1.814 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000892479591 591041661 /nfs/dbraw/zinc/04/16/61/591041661.db2.gz HPWJDPTYEILXEL-INIZCTEOSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000892479591 591041666 /nfs/dbraw/zinc/04/16/66/591041666.db2.gz HPWJDPTYEILXEL-INIZCTEOSA-N 1 3 348.491 1.911 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000891346561 591052339 /nfs/dbraw/zinc/05/23/39/591052339.db2.gz CRAQBOVGNJBTBQ-QGTPRVQTSA-N 1 3 330.476 1.860 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)[C@H]1OC ZINC000892576275 591079320 /nfs/dbraw/zinc/07/93/20/591079320.db2.gz AQBGLRDJUCHBFQ-XUVXKRRUSA-N 1 3 347.503 1.716 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000891517029 591103358 /nfs/dbraw/zinc/10/33/58/591103358.db2.gz JJPGDLKIEDNINX-QAQDUYKDSA-N 1 3 346.475 1.180 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538414 591112711 /nfs/dbraw/zinc/11/27/11/591112711.db2.gz XXDZKCWNVZWWCH-HUUCEWRRSA-N 1 3 326.485 1.175 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000893989047 591160770 /nfs/dbraw/zinc/16/07/70/591160770.db2.gz IDMBJQBXECSPSW-CALCHBBNSA-N 1 3 343.475 1.501 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@H]2C1 ZINC000893989047 591160775 /nfs/dbraw/zinc/16/07/75/591160775.db2.gz IDMBJQBXECSPSW-CALCHBBNSA-N 1 3 343.475 1.501 20 0 EDADHO CN(CCN1CCCCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755497 591163651 /nfs/dbraw/zinc/16/36/51/591163651.db2.gz INZVMCWEWNZQOG-MRXNPFEDSA-N 1 3 338.496 1.272 20 0 EDADHO [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000891648378 591167771 /nfs/dbraw/zinc/16/77/71/591167771.db2.gz UYSROLOJCBYZNH-CZIWCDLHSA-N 1 3 346.475 1.180 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000891670868 591177060 /nfs/dbraw/zinc/17/70/60/591177060.db2.gz UPRIJTFGGCQOJF-LPHOPBHVSA-N 1 3 344.503 1.978 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000891670868 591177061 /nfs/dbraw/zinc/17/70/61/591177061.db2.gz UPRIJTFGGCQOJF-LPHOPBHVSA-N 1 3 344.503 1.978 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccn1 ZINC000891727080 591200854 /nfs/dbraw/zinc/20/08/54/591200854.db2.gz NVVSZICNXDUVNG-JKSUJKDBSA-N 1 3 347.463 1.058 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891749693 591209586 /nfs/dbraw/zinc/20/95/86/591209586.db2.gz VFNZQWMWEIOPTA-MJGOQNOKSA-N 1 3 343.475 1.882 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000895665766 591245958 /nfs/dbraw/zinc/24/59/58/591245958.db2.gz GBGWQMXEVKPWPE-BHYGNILZSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000895665766 591245961 /nfs/dbraw/zinc/24/59/61/591245961.db2.gz GBGWQMXEVKPWPE-BHYGNILZSA-N 1 3 340.512 1.515 20 0 EDADHO CC(C)[N@H+](C)CC1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000895843385 591283258 /nfs/dbraw/zinc/28/32/58/591283258.db2.gz BZCFFTIFGKCJFJ-UHFFFAOYSA-N 1 3 337.508 1.676 20 0 EDADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C2CN(C3CCOCC3)C2)CC1 ZINC000895843385 591283260 /nfs/dbraw/zinc/28/32/60/591283260.db2.gz BZCFFTIFGKCJFJ-UHFFFAOYSA-N 1 3 337.508 1.676 20 0 EDADHO CC(=O)OC[C@@H](C)[NH2+]CCC1(O)CCN(Cc2ccccc2)CC1 ZINC000896019735 591325035 /nfs/dbraw/zinc/32/50/35/591325035.db2.gz SBSKIOIKTWBMSS-MRXNPFEDSA-N 1 3 334.460 1.945 20 0 EDADHO CC(=O)OC[C@H](C)[NH2+]CCC1(O)CCN(Cc2ccccc2)CC1 ZINC000896019732 591325099 /nfs/dbraw/zinc/32/50/99/591325099.db2.gz SBSKIOIKTWBMSS-INIZCTEOSA-N 1 3 334.460 1.945 20 0 EDADHO Cc1ccn2ncnc2c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000888208533 591448176 /nfs/dbraw/zinc/44/81/76/591448176.db2.gz VNUJIHUNTKOUEM-AWEZNQCLSA-N 1 3 347.467 1.431 20 0 EDADHO Cc1ccn2ncnc2c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000888208533 591448180 /nfs/dbraw/zinc/44/81/80/591448180.db2.gz VNUJIHUNTKOUEM-AWEZNQCLSA-N 1 3 347.467 1.431 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(C2CCOCC2)C1 ZINC000898782905 591525300 /nfs/dbraw/zinc/52/53/00/591525300.db2.gz MFPGZEGZBWAXDC-INIZCTEOSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CN(C2CCOCC2)C1 ZINC000898782905 591525305 /nfs/dbraw/zinc/52/53/05/591525305.db2.gz MFPGZEGZBWAXDC-INIZCTEOSA-N 1 3 335.492 1.620 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695947 591621130 /nfs/dbraw/zinc/62/11/30/591621130.db2.gz WJPUEKSZBYCMFT-KBXCAEBGSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695947 591621132 /nfs/dbraw/zinc/62/11/32/591621132.db2.gz WJPUEKSZBYCMFT-KBXCAEBGSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC000899046785 591656715 /nfs/dbraw/zinc/65/67/15/591656715.db2.gz DJNJRPYKLPLRDQ-LLVKDONJSA-N 1 3 335.839 1.991 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1 ZINC000899046785 591656717 /nfs/dbraw/zinc/65/67/17/591656717.db2.gz DJNJRPYKLPLRDQ-LLVKDONJSA-N 1 3 335.839 1.991 20 0 EDADHO CC(=O)c1cncc(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000899157683 591711602 /nfs/dbraw/zinc/71/16/02/591711602.db2.gz KQBOGWWCPNOLDT-IAGOWNOFSA-N 1 3 332.448 1.096 20 0 EDADHO C[NH2+][C@H](C)Cc1noc(CCc2ccc(OCCN(C)C)cc2)n1 ZINC000900010452 591866332 /nfs/dbraw/zinc/86/63/32/591866332.db2.gz ROUJEKGWIHDVJU-CQSZACIVSA-N 1 3 332.448 1.946 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000902351553 591985071 /nfs/dbraw/zinc/98/50/71/591985071.db2.gz ZPWFBUDSDDTQAC-KBPBESRZSA-N 1 3 336.432 1.523 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900339111 591988816 /nfs/dbraw/zinc/98/88/16/591988816.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900339111 591988817 /nfs/dbraw/zinc/98/88/17/591988817.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 1 3 325.497 1.460 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NCC2(N3CCOCC3)CCOCC2)C1 ZINC000902390109 591989921 /nfs/dbraw/zinc/98/99/21/591989921.db2.gz HDGYOTIGYJFBAI-MRXNPFEDSA-N 1 3 325.497 1.236 20 0 EDADHO CC1(C)CNCC[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C1 ZINC000902390109 591989922 /nfs/dbraw/zinc/98/99/22/591989922.db2.gz HDGYOTIGYJFBAI-MRXNPFEDSA-N 1 3 325.497 1.236 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900689022 592095000 /nfs/dbraw/zinc/09/50/00/592095000.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900689022 592095003 /nfs/dbraw/zinc/09/50/03/592095003.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 1 3 336.524 1.537 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000900725947 592105983 /nfs/dbraw/zinc/10/59/83/592105983.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 1 3 334.508 1.242 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000900725947 592105985 /nfs/dbraw/zinc/10/59/85/592105985.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@@H]2CCC[C@@H]21 ZINC000903181660 592131936 /nfs/dbraw/zinc/13/19/36/592131936.db2.gz UBXBYIQUSVEIDN-BZSNNMDCSA-N 1 3 343.471 1.870 20 0 EDADHO C[N@H+]1CC[C@H](NCCN2Cc3ccccc3OCC2=O)[C@@H]2CCC[C@@H]21 ZINC000903181660 592131938 /nfs/dbraw/zinc/13/19/38/592131938.db2.gz UBXBYIQUSVEIDN-BZSNNMDCSA-N 1 3 343.471 1.870 20 0 EDADHO CC[N@@H+]1CC[C@@H](NCCN2Cc3ccccc3OCC2=O)[C@@H](C)C1 ZINC000903182072 592132026 /nfs/dbraw/zinc/13/20/26/592132026.db2.gz MTRDTJLXZIESOX-DOTOQJQBSA-N 1 3 331.460 1.728 20 0 EDADHO CC[N@H+]1CC[C@@H](NCCN2Cc3ccccc3OCC2=O)[C@@H](C)C1 ZINC000903182072 592132028 /nfs/dbraw/zinc/13/20/28/592132028.db2.gz MTRDTJLXZIESOX-DOTOQJQBSA-N 1 3 331.460 1.728 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCC(C)(C)C1 ZINC000900828082 592139771 /nfs/dbraw/zinc/13/97/71/592139771.db2.gz LIXPSKZTXXXHFF-MRXNPFEDSA-N 1 3 325.497 1.628 20 0 EDADHO CC(C)(C)[NH+]1CCC(NCC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903374592 592163180 /nfs/dbraw/zinc/16/31/80/592163180.db2.gz LUXYQXPMHXCUTN-UHFFFAOYSA-N 1 3 326.481 1.887 20 0 EDADHO CC(C)[C@](C)(C[NH3+])NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903426042 592167748 /nfs/dbraw/zinc/16/77/48/592167748.db2.gz CBSPJBKHJIPZTH-SFHVURJKSA-N 1 3 333.432 1.262 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000900914824 592170659 /nfs/dbraw/zinc/17/06/59/592170659.db2.gz KVWSTLGKFAUPRW-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000900914824 592170663 /nfs/dbraw/zinc/17/06/63/592170663.db2.gz KVWSTLGKFAUPRW-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO CCOc1ccc(OCCNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496525 592187733 /nfs/dbraw/zinc/18/77/33/592187733.db2.gz QWFLWUQBSJACON-HZPDHXFCSA-N 1 3 349.475 1.497 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511051 592190700 /nfs/dbraw/zinc/19/07/00/592190700.db2.gz MUDVIHVTRYMLCG-OLMNPRSZSA-N 1 3 334.508 1.334 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511051 592190702 /nfs/dbraw/zinc/19/07/02/592190702.db2.gz MUDVIHVTRYMLCG-OLMNPRSZSA-N 1 3 334.508 1.334 20 0 EDADHO Cc1nc(CC2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)no1 ZINC000903565882 592212765 /nfs/dbraw/zinc/21/27/65/592212765.db2.gz FZBIZNHHQSYJFM-ROUUACIJSA-N 1 3 344.459 1.563 20 0 EDADHO O=S(=O)(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000903600333 592230400 /nfs/dbraw/zinc/23/04/00/592230400.db2.gz GTXIEGSULMTXAT-IXDOHACOSA-N 1 3 349.500 1.178 20 0 EDADHO O=S(=O)(N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CNC1 ZINC000903600333 592230401 /nfs/dbraw/zinc/23/04/01/592230401.db2.gz GTXIEGSULMTXAT-IXDOHACOSA-N 1 3 349.500 1.178 20 0 EDADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904392658 592243328 /nfs/dbraw/zinc/24/33/28/592243328.db2.gz WRAJWUZTJNODCG-OAHLLOKOSA-N 1 3 349.523 1.939 20 0 EDADHO CC[C@@H](C(=O)N[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000907973725 592243529 /nfs/dbraw/zinc/24/35/29/592243529.db2.gz NWMNUAIDNIGZGP-KKUMJFAQSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000907973725 592243532 /nfs/dbraw/zinc/24/35/32/592243532.db2.gz NWMNUAIDNIGZGP-KKUMJFAQSA-N 1 3 342.528 1.314 20 0 EDADHO Cn1c2ccc(CN3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2sc1=O ZINC000904393339 592244069 /nfs/dbraw/zinc/24/40/69/592244069.db2.gz QKUZRMHWTCMYSM-CQSZACIVSA-N 1 3 347.484 1.930 20 0 EDADHO CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906680278 592261870 /nfs/dbraw/zinc/26/18/70/592261870.db2.gz MSEPNWLHRYUQAD-UHFFFAOYSA-N 1 3 344.459 1.561 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904530829 592280175 /nfs/dbraw/zinc/28/01/75/592280175.db2.gz PIESUUVIICUCAQ-DYVFJYSZSA-N 1 3 332.452 1.495 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713264 592291634 /nfs/dbraw/zinc/29/16/34/592291634.db2.gz KVOBUIDIRXYLTN-LBPRGKRZSA-N 1 3 343.830 1.645 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000906728634 592296009 /nfs/dbraw/zinc/29/60/09/592296009.db2.gz MLNFRFQZMIIRPG-IXDOHACOSA-N 1 3 344.459 1.476 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2CN)CC1 ZINC000904652095 592304317 /nfs/dbraw/zinc/30/43/17/592304317.db2.gz MCXGDKNODWVATF-CQSZACIVSA-N 1 3 334.464 1.702 20 0 EDADHO CCOC(=O)[C@@H]1CNCC[C@@H]1N(CCC[NH2+]C)Cc1ccccc1 ZINC000903795303 592315745 /nfs/dbraw/zinc/31/57/45/592315745.db2.gz KCIFLYLEVPBHON-MSOLQXFVSA-N 1 3 333.476 1.639 20 0 EDADHO C(CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)OC1CCSCC1 ZINC000903775574 592317787 /nfs/dbraw/zinc/31/77/87/592317787.db2.gz MFUZWVIYYXUEBD-KRWDZBQOSA-N 1 3 328.522 1.989 20 0 EDADHO COc1cccc([C@@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903782196 592320905 /nfs/dbraw/zinc/32/09/05/592320905.db2.gz GTXXIWHIPFOWHI-OALUTQOASA-N 1 3 345.487 1.800 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CNCCOc2ccc(F)cc2F)cnn1C ZINC000903922610 592378022 /nfs/dbraw/zinc/37/80/22/592378022.db2.gz AOBPXYPIROXBLH-ZDUSSCGKSA-N 1 3 338.402 1.793 20 0 EDADHO COc1ccc2c(c1)OC[C@H](NCc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903926664 592381242 /nfs/dbraw/zinc/38/12/42/592381242.db2.gz NSIMYMSTVBAOGD-CABCVRRESA-N 1 3 343.431 1.305 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2C[C@H](O)C[C@H]2c2ccccc2)cnn1C ZINC000903929843 592382745 /nfs/dbraw/zinc/38/27/45/592382745.db2.gz MMMYAUUDOYTBOQ-LZQZEXGQSA-N 1 3 328.460 1.654 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)CCC3(O)CCC3)CC2)CC1 ZINC000905082034 592389705 /nfs/dbraw/zinc/38/97/05/592389705.db2.gz RPPYKZFZXKMIHR-GOSISDBHSA-N 1 3 339.524 1.191 20 0 EDADHO c1ccc(N2CCC(N[C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)nc1 ZINC000903972415 592397249 /nfs/dbraw/zinc/39/72/49/592397249.db2.gz IBMBWUHNZUSWPX-QGZVFWFLSA-N 1 3 330.476 1.799 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905073575 592403501 /nfs/dbraw/zinc/40/35/01/592403501.db2.gz DTCIXENIYXIGAE-FHWLQOOXSA-N 1 3 334.460 1.407 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000905073575 592403505 /nfs/dbraw/zinc/40/35/05/592403505.db2.gz DTCIXENIYXIGAE-FHWLQOOXSA-N 1 3 334.460 1.407 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905122152 592416879 /nfs/dbraw/zinc/41/68/79/592416879.db2.gz LJBAODLPHWPIJY-NSISKUIASA-N 1 3 348.487 1.704 20 0 EDADHO Cn1c2ccccc2nc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000905700709 592614572 /nfs/dbraw/zinc/61/45/72/592614572.db2.gz OZHNNZPXAFSVTK-IYBDPMFKSA-N 1 3 325.460 1.978 20 0 EDADHO Cn1c2ccccc2nc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000905700709 592614575 /nfs/dbraw/zinc/61/45/75/592614575.db2.gz OZHNNZPXAFSVTK-IYBDPMFKSA-N 1 3 325.460 1.978 20 0 EDADHO Cn1c2ccccc2nc1N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000905700709 592614577 /nfs/dbraw/zinc/61/45/77/592614577.db2.gz OZHNNZPXAFSVTK-IYBDPMFKSA-N 1 3 325.460 1.978 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789549 /nfs/dbraw/zinc/78/95/49/592789549.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789551 /nfs/dbraw/zinc/78/95/51/592789551.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911663532 592973220 /nfs/dbraw/zinc/97/32/20/592973220.db2.gz DUMYLSPCUFOXIG-CYBMUJFWSA-N 1 3 327.375 1.446 20 0 EDADHO CNC1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC1 ZINC000911744737 592995435 /nfs/dbraw/zinc/99/54/35/592995435.db2.gz LNDGTRYCWOZPGR-HNNXBMFYSA-N 1 3 331.416 1.676 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911765385 593000144 /nfs/dbraw/zinc/00/01/44/593000144.db2.gz TYTYELHHGXUUQM-LMMKCTJWSA-N 1 3 331.460 1.552 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000911766052 593000331 /nfs/dbraw/zinc/00/03/31/593000331.db2.gz FEYHQGGHMBYFIB-KRWDZBQOSA-N 1 3 333.476 1.675 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000911769478 593001411 /nfs/dbraw/zinc/00/14/11/593001411.db2.gz VCROOPTUZHMRLY-CTEOGUNLSA-N 1 3 331.460 1.756 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000912584942 593106405 /nfs/dbraw/zinc/10/64/05/593106405.db2.gz UZJBYXCUXBGTAH-QGZVFWFLSA-N 1 3 337.508 1.602 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000811953348 593487310 /nfs/dbraw/zinc/48/73/10/593487310.db2.gz ABSRFHKVFUCPQP-NVXWUHKLSA-N 1 3 340.512 1.658 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000811953348 593487311 /nfs/dbraw/zinc/48/73/11/593487311.db2.gz ABSRFHKVFUCPQP-NVXWUHKLSA-N 1 3 340.512 1.658 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052851 593735855 /nfs/dbraw/zinc/73/58/55/593735855.db2.gz FNDJRQUDEHLOCD-RDTXWAMCSA-N 1 3 339.430 1.756 20 0 EDADHO Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000820074971 593788617 /nfs/dbraw/zinc/78/86/17/593788617.db2.gz PYKFDSMLIOMJNN-DZGCQCFKSA-N 1 3 340.468 1.193 20 0 EDADHO Cc1ccc([C@H](O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000820074971 593788618 /nfs/dbraw/zinc/78/86/18/593788618.db2.gz PYKFDSMLIOMJNN-DZGCQCFKSA-N 1 3 340.468 1.193 20 0 EDADHO O=C(CN1CCCC1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821715570 593922480 /nfs/dbraw/zinc/92/24/80/593922480.db2.gz DHNJCLMANUXCLR-UHFFFAOYSA-N 1 3 345.487 1.916 20 0 EDADHO COc1cc(-c2noc(CC[C@@H](C)[NH3+])n2)ccc1OCCN(C)C ZINC000822925701 594122782 /nfs/dbraw/zinc/12/27/82/594122782.db2.gz IHVQDQWTCBYXGK-GFCCVEGCSA-N 1 3 334.420 1.965 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000825513402 594195369 /nfs/dbraw/zinc/19/53/69/594195369.db2.gz SRGMMNMTIVEXAH-MRXNPFEDSA-N 1 3 325.497 1.458 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1cnccn1 ZINC000825567586 594201453 /nfs/dbraw/zinc/20/14/53/594201453.db2.gz CFZPFASFYICRDO-VZVUQDNOSA-N 1 3 345.491 1.754 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1cnccn1 ZINC000825567586 594201455 /nfs/dbraw/zinc/20/14/55/594201455.db2.gz CFZPFASFYICRDO-VZVUQDNOSA-N 1 3 345.491 1.754 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000827621746 594245984 /nfs/dbraw/zinc/24/59/84/594245984.db2.gz ZASUJSKUMPXQSB-UHFFFAOYSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CC[C@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956265 594537261 /nfs/dbraw/zinc/53/72/61/594537261.db2.gz LFDBPAIRTLJMNQ-KBPBESRZSA-N 1 3 340.855 1.270 20 0 EDADHO COC[C@]1(C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)CC[NH2+]C1 ZINC000827250051 594656294 /nfs/dbraw/zinc/65/62/94/594656294.db2.gz NUEYOSHYHABPNV-IBGZPJMESA-N 1 3 346.475 1.393 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cn1 ZINC000832489638 594754115 /nfs/dbraw/zinc/75/41/15/594754115.db2.gz AAYNAISWXKWARJ-YYIAUSFCSA-N 1 3 333.480 1.054 20 0 EDADHO CN(C)[C@@]1(CNC(=O)Nc2cccc(OCC[NH3+])c2)CCSC1 ZINC000841288083 594881820 /nfs/dbraw/zinc/88/18/20/594881820.db2.gz NIIYGQIATOQMHE-MRXNPFEDSA-N 1 3 338.477 1.583 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841790280 594953452 /nfs/dbraw/zinc/95/34/52/594953452.db2.gz BNCFFYQQAKNNBS-IRXDYDNUSA-N 1 3 332.448 1.020 20 0 EDADHO [NH3+]CCN(CCO)C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000841819719 594958074 /nfs/dbraw/zinc/95/80/74/594958074.db2.gz DQKQRSKLIHZWEO-KRWDZBQOSA-N 1 3 334.464 1.176 20 0 EDADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847577 594964787 /nfs/dbraw/zinc/96/47/87/594964787.db2.gz TWMPQYPUAVSARI-SUMWQHHRSA-N 1 3 345.443 1.922 20 0 EDADHO [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000843266464 595057914 /nfs/dbraw/zinc/05/79/14/595057914.db2.gz MOKWVBLHBPCMDK-INIZCTEOSA-N 1 3 338.496 1.099 20 0 EDADHO CN(CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355386 595085422 /nfs/dbraw/zinc/08/54/22/595085422.db2.gz MORDCHULSNVJMA-DAWZGUTISA-N 1 3 349.450 1.927 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491018 595128858 /nfs/dbraw/zinc/12/88/58/595128858.db2.gz YLTQYZMNEMDOLU-MJGOQNOKSA-N 1 3 345.487 1.878 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000843495784 595130562 /nfs/dbraw/zinc/13/05/62/595130562.db2.gz VPOUNJKUECTJTD-SJLPKXTDSA-N 1 3 335.423 1.650 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC000843800805 595189509 /nfs/dbraw/zinc/18/95/09/595189509.db2.gz WRIPXUPYIYVSCV-CVEARBPZSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC000843800805 595189513 /nfs/dbraw/zinc/18/95/13/595189513.db2.gz WRIPXUPYIYVSCV-CVEARBPZSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)C1(CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000846264022 595190763 /nfs/dbraw/zinc/19/07/63/595190763.db2.gz MMUDQSQTYJYUQO-ZDUSSCGKSA-N 1 3 342.484 1.042 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170077 595290365 /nfs/dbraw/zinc/29/03/65/595290365.db2.gz GOTAWHPNZWSLAK-QAPCUYQASA-N 1 3 337.508 1.772 20 0 EDADHO C[NH+](C)CCOc1ccc(-c2noc(C[C@H]3CNCCO3)n2)cc1 ZINC000843177718 595299676 /nfs/dbraw/zinc/29/96/76/595299676.db2.gz FBKNLOOMRIHQDL-HNNXBMFYSA-N 1 3 332.404 1.208 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)OC3=O)CC2)CC1 ZINC000848073027 595315283 /nfs/dbraw/zinc/31/52/83/595315283.db2.gz IBMXXBOEKZQOAI-CZUORRHYSA-N 1 3 337.464 1.003 20 0 EDADHO O[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000848521363 595401798 /nfs/dbraw/zinc/40/17/98/595401798.db2.gz SDFFRMJJVASKFY-YOEHRIQHSA-N 1 3 326.387 1.841 20 0 EDADHO COCCOCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849067478 595477283 /nfs/dbraw/zinc/47/72/83/595477283.db2.gz HVUHNSCDIVKJMH-UHFFFAOYSA-N 1 3 334.464 1.428 20 0 EDADHO O=C1OCCN1CCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852762608 595532563 /nfs/dbraw/zinc/53/25/63/595532563.db2.gz QLTHSZJBAYISGI-UHFFFAOYSA-N 1 3 347.463 1.508 20 0 EDADHO O=C1OCCN1CCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852762608 595532565 /nfs/dbraw/zinc/53/25/65/595532565.db2.gz QLTHSZJBAYISGI-UHFFFAOYSA-N 1 3 347.463 1.508 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482436 595547005 /nfs/dbraw/zinc/54/70/05/595547005.db2.gz BHEBAYOWHIDBLD-JKSUJKDBSA-N 1 3 335.496 1.159 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[N@H+](C)C1CC1 ZINC000849514625 595555429 /nfs/dbraw/zinc/55/54/29/595555429.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 1 3 333.480 1.054 20 0 EDADHO C[C@H](CNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)[N@@H+](C)C1CC1 ZINC000849514625 595555431 /nfs/dbraw/zinc/55/54/31/595555431.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 1 3 333.480 1.054 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849539835 595559982 /nfs/dbraw/zinc/55/99/82/595559982.db2.gz YCIBLTCROUWEPV-KZNAEPCWSA-N 1 3 349.523 1.548 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852858042 595579932 /nfs/dbraw/zinc/57/99/32/595579932.db2.gz NSZOGIBURGSEAG-KRWDZBQOSA-N 1 3 344.459 1.638 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852858101 595579976 /nfs/dbraw/zinc/57/99/76/595579976.db2.gz PXLSVJPEVSFGGG-CZUORRHYSA-N 1 3 330.432 1.961 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852858101 595579979 /nfs/dbraw/zinc/57/99/79/595579979.db2.gz PXLSVJPEVSFGGG-CZUORRHYSA-N 1 3 330.432 1.961 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583475 595581363 /nfs/dbraw/zinc/58/13/63/595581363.db2.gz UFZRTUSNAHHILA-CVEARBPZSA-N 1 3 333.480 1.056 20 0 EDADHO COc1cccc([C@@H](O)C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)c1 ZINC000860144191 595594150 /nfs/dbraw/zinc/59/41/50/595594150.db2.gz WANYKXPIRNECAV-ICSRJNTNSA-N 1 3 348.487 1.897 20 0 EDADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852888411 595600324 /nfs/dbraw/zinc/60/03/24/595600324.db2.gz JVGCEZPALJZMFD-NVXWUHKLSA-N 1 3 346.431 1.052 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C/C1(C)CCOCC1 ZINC000855346153 595680757 /nfs/dbraw/zinc/68/07/57/595680757.db2.gz PLCNCLQDYXHCJZ-WAVCKPEOSA-N 1 3 325.497 1.748 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C/C1(C)CCOCC1 ZINC000855346153 595680759 /nfs/dbraw/zinc/68/07/59/595680759.db2.gz PLCNCLQDYXHCJZ-WAVCKPEOSA-N 1 3 325.497 1.748 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccnc(CO)c2)CC1 ZINC000858348396 595770834 /nfs/dbraw/zinc/77/08/34/595770834.db2.gz AFOYHEFJTNVCJU-UHFFFAOYSA-N 1 3 346.475 1.392 20 0 EDADHO CCOC(=O)NC1CCC([NH2+]CCN2CCN(C)C(C)(C)C2)CC1 ZINC000850466000 595839460 /nfs/dbraw/zinc/83/94/60/595839460.db2.gz BCSCZBMCHKJXGW-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@@H](Oc2ccnc(CN(C)CC)c2)C1)[NH+](C)C ZINC000856630500 596039793 /nfs/dbraw/zinc/03/97/93/596039793.db2.gz GGYVOGDZGIUADP-MSOLQXFVSA-N 1 3 348.491 1.853 20 0 EDADHO CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000852744746 596237382 /nfs/dbraw/zinc/23/73/82/596237382.db2.gz IKCMOBXMYDEXOZ-IAGOWNOFSA-N 1 3 337.508 1.916 20 0 EDADHO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000852744746 596237383 /nfs/dbraw/zinc/23/73/83/596237383.db2.gz IKCMOBXMYDEXOZ-IAGOWNOFSA-N 1 3 337.508 1.916 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570775 596254352 /nfs/dbraw/zinc/25/43/52/596254352.db2.gz QGEHACKFZGCFDW-HOCLYGCPSA-N 1 3 345.553 1.934 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000870882160 596388483 /nfs/dbraw/zinc/38/84/83/596388483.db2.gz KCJXGZDLIIKKQF-IYARVYRRSA-N 1 3 345.487 1.777 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868041494 596665725 /nfs/dbraw/zinc/66/57/25/596665725.db2.gz ZAFXFTJHHCHVHX-MSOLQXFVSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868041494 596665728 /nfs/dbraw/zinc/66/57/28/596665728.db2.gz ZAFXFTJHHCHVHX-MSOLQXFVSA-N 1 3 330.476 1.984 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865817917 596696199 /nfs/dbraw/zinc/69/61/99/596696199.db2.gz IYWPRKDJHDLSTE-HOTGVXAUSA-N 1 3 337.489 1.354 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865817917 596696201 /nfs/dbraw/zinc/69/62/01/596696201.db2.gz IYWPRKDJHDLSTE-HOTGVXAUSA-N 1 3 337.489 1.354 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@@H]2CCCCCC(=O)C2)C[C@H]1C[NH+](C)C ZINC000870018623 596710899 /nfs/dbraw/zinc/71/08/99/596710899.db2.gz UKPRVUBNXCNZID-BRWVUGGUSA-N 1 3 337.508 1.724 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868289320 596769335 /nfs/dbraw/zinc/76/93/35/596769335.db2.gz JJSFGQWJGUWBOB-UHFFFAOYSA-N 1 3 344.459 1.212 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccc(CN)c3)CC2)CC1 ZINC000868291346 596771109 /nfs/dbraw/zinc/77/11/09/596771109.db2.gz IMGLIPAIJFEOEU-UHFFFAOYSA-N 1 3 344.459 1.418 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCSC1 ZINC000868356518 596798772 /nfs/dbraw/zinc/79/87/72/596798772.db2.gz ZBSLBBQVCWLBKX-YCPHGPKFSA-N 1 3 326.510 1.159 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCSC1 ZINC000868356518 596798775 /nfs/dbraw/zinc/79/87/75/596798775.db2.gz ZBSLBBQVCWLBKX-YCPHGPKFSA-N 1 3 326.510 1.159 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC000868362510 596802586 /nfs/dbraw/zinc/80/25/86/596802586.db2.gz ZYXAVGJDHGTXHF-MRXNPFEDSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Cl)s1 ZINC000875712410 596956422 /nfs/dbraw/zinc/95/64/22/596956422.db2.gz DXGKTBOIUJFSFQ-NSHDSACASA-N 1 3 347.916 1.868 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncc(Cl)s1 ZINC000875712410 596956427 /nfs/dbraw/zinc/95/64/27/596956427.db2.gz DXGKTBOIUJFSFQ-NSHDSACASA-N 1 3 347.916 1.868 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000875712404 596956526 /nfs/dbraw/zinc/95/65/26/596956526.db2.gz DUBYXCBEVARELH-LSDHHAIUSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC(C)(C)CO1 ZINC000875712404 596956529 /nfs/dbraw/zinc/95/65/29/596956529.db2.gz DUBYXCBEVARELH-LSDHHAIUSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccnc(F)c1 ZINC000875714459 596958109 /nfs/dbraw/zinc/95/81/09/596958109.db2.gz UXWSVDSSZGHRSM-ZDUSSCGKSA-N 1 3 325.432 1.292 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccnc(F)c1 ZINC000875714459 596958110 /nfs/dbraw/zinc/95/81/10/596958110.db2.gz UXWSVDSSZGHRSM-ZDUSSCGKSA-N 1 3 325.432 1.292 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c2ncccc2c1 ZINC000874382535 597049999 /nfs/dbraw/zinc/04/99/99/597049999.db2.gz PNSWNIHGMBDHFU-UHFFFAOYSA-N 1 3 332.423 1.939 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000874432704 597076602 /nfs/dbraw/zinc/07/66/02/597076602.db2.gz PPCLZBQJDTWHLU-KURKYZTESA-N 1 3 328.460 1.797 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(N)cn1 ZINC000873209673 597229120 /nfs/dbraw/zinc/22/91/20/597229120.db2.gz RYHDXTPBTBNWPX-UHFFFAOYSA-N 1 3 346.523 1.687 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](N)c1ccccc1 ZINC000876523860 597230232 /nfs/dbraw/zinc/23/02/32/597230232.db2.gz GLTSKECSZCFXAD-JKSUJKDBSA-N 1 3 327.432 1.546 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873248298 597239611 /nfs/dbraw/zinc/23/96/11/597239611.db2.gz CTMJOKOIUYYQLC-AYIQCDPPSA-N 1 3 338.473 1.333 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)c2c(CN)cnn2C)c1 ZINC000876720906 597305107 /nfs/dbraw/zinc/30/51/07/597305107.db2.gz NPLHITGEHCPKRR-UHFFFAOYSA-N 1 3 329.448 1.651 20 0 EDADHO CCN(CC)[C@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccsc1 ZINC000876722545 597305775 /nfs/dbraw/zinc/30/57/75/597305775.db2.gz YAEKMTGEYMKVLS-CQSZACIVSA-N 1 3 335.477 1.753 20 0 EDADHO COC(=O)C1=C(C)O[C@H](CN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746335 597698087 /nfs/dbraw/zinc/69/80/87/597698087.db2.gz ATDGSOIOMPRIOY-INIZCTEOSA-N 1 3 331.416 1.830 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825675 597725255 /nfs/dbraw/zinc/72/52/55/597725255.db2.gz KQFQIMWAANVEHU-HZSPNIEDSA-N 1 3 329.485 1.580 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825675 597725256 /nfs/dbraw/zinc/72/52/56/597725256.db2.gz KQFQIMWAANVEHU-HZSPNIEDSA-N 1 3 329.485 1.580 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC[C@H](N)c2ccccc2OC)c1 ZINC000884010543 597967827 /nfs/dbraw/zinc/96/78/27/597967827.db2.gz FRZWIELBKSZQDK-KRWDZBQOSA-N 1 3 343.427 1.723 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1coc(-c2ccccn2)n1 ZINC000880664498 597990869 /nfs/dbraw/zinc/99/08/69/597990869.db2.gz SBYOVMCOHLKJGE-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1coc(-c2ccccn2)n1 ZINC000880664498 597990870 /nfs/dbraw/zinc/99/08/70/597990870.db2.gz SBYOVMCOHLKJGE-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO COCC[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884463784 598112522 /nfs/dbraw/zinc/11/25/22/598112522.db2.gz QXWWFGTUEOBMLB-SFHVURJKSA-N 1 3 333.476 1.769 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@H]21 ZINC000914258858 695312708 /nfs/dbraw/zinc/31/27/08/695312708.db2.gz GFNKUBAVVXMOLU-BBWFWOEESA-N 1 3 341.521 1.218 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC[C@H]21 ZINC000914258858 695312712 /nfs/dbraw/zinc/31/27/12/695312712.db2.gz GFNKUBAVVXMOLU-BBWFWOEESA-N 1 3 341.521 1.218 20 0 EDADHO Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 ZINC000992925117 695456760 /nfs/dbraw/zinc/45/67/60/695456760.db2.gz ZVWLNFXPMBSRFA-IXDOHACOSA-N 1 3 346.475 1.796 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCCN1CCCO ZINC000993800677 696377731 /nfs/dbraw/zinc/37/77/31/696377731.db2.gz AGFWXBCYLZACGI-APWZRJJASA-N 1 3 347.503 1.756 20 0 EDADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCOC1CCC1 ZINC000994250102 696642209 /nfs/dbraw/zinc/64/22/09/696642209.db2.gz IKRQGDJFSDWDSW-DOTOQJQBSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=S)NC1CCN(C)CC1 ZINC000920312175 697422083 /nfs/dbraw/zinc/42/20/83/697422083.db2.gz XBSMZAWNLGHFJH-RBSFLKMASA-N 1 3 326.554 1.911 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672794 697480759 /nfs/dbraw/zinc/48/07/59/697480759.db2.gz OZXTUAMCJVQUJQ-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031672794 697480761 /nfs/dbraw/zinc/48/07/61/697480761.db2.gz OZXTUAMCJVQUJQ-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940108220 700220636 /nfs/dbraw/zinc/22/06/36/700220636.db2.gz AZGIUDIURHQRPA-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940108220 700220640 /nfs/dbraw/zinc/22/06/40/700220640.db2.gz AZGIUDIURHQRPA-QGZVFWFLSA-N 1 3 347.507 1.764 20 0 EDADHO Cc1nc(C)c(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164522 701603426 /nfs/dbraw/zinc/60/34/26/701603426.db2.gz AKOACTMGBKVGFZ-HOTGVXAUSA-N 1 3 346.475 1.762 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941677414 701615918 /nfs/dbraw/zinc/61/59/18/701615918.db2.gz PYMRBTUBMHDVOH-UHFFFAOYSA-N 1 3 336.524 1.491 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)C1CC1 ZINC000940148678 700281734 /nfs/dbraw/zinc/28/17/34/700281734.db2.gz CMPKESKSSKFDMH-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cn1 ZINC000940149409 700282350 /nfs/dbraw/zinc/28/23/50/700282350.db2.gz LAGJSHSBWAAKHY-KRWDZBQOSA-N 1 3 345.491 1.596 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1)C1CC1 ZINC000940149660 700282653 /nfs/dbraw/zinc/28/26/53/700282653.db2.gz NNOGNKVDJJJHIF-HNNXBMFYSA-N 1 3 336.505 1.954 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000940149873 700283161 /nfs/dbraw/zinc/28/31/61/700283161.db2.gz PRDCDGUAFOZKPQ-KRWDZBQOSA-N 1 3 347.507 1.539 20 0 EDADHO CN(CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000940153954 700283576 /nfs/dbraw/zinc/28/35/76/700283576.db2.gz HWYWKWZOURCAEP-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296403 700468412 /nfs/dbraw/zinc/46/84/12/700468412.db2.gz JOHXCBHMUUIZGI-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940328030 700505761 /nfs/dbraw/zinc/50/57/61/700505761.db2.gz CQRMCIQWDHNTCC-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3nccs3)CC2)C1 ZINC000940328030 700505762 /nfs/dbraw/zinc/50/57/62/700505762.db2.gz CQRMCIQWDHNTCC-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940328566 700507110 /nfs/dbraw/zinc/50/71/10/700507110.db2.gz KSOHFLUNPDUGPO-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940328566 700507111 /nfs/dbraw/zinc/50/71/11/700507111.db2.gz KSOHFLUNPDUGPO-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940329514 700509047 /nfs/dbraw/zinc/50/90/47/700509047.db2.gz UXDFIODDABVONY-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO Cn1cncc1C[NH2+]C1(C)CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000940329710 700509501 /nfs/dbraw/zinc/50/95/01/700509501.db2.gz XSFFXIOANWGEBZ-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1cnc(CNC[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067656 700529737 /nfs/dbraw/zinc/52/97/37/700529737.db2.gz ADFUZGDWUMJMEO-WBVHZDCISA-N 1 3 345.491 1.501 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940461521 700664654 /nfs/dbraw/zinc/66/46/54/700664654.db2.gz FPGQDXSXLOPQAL-UHFFFAOYSA-N 1 3 334.464 1.858 20 0 EDADHO Cc1cc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)on1 ZINC000995082027 700700497 /nfs/dbraw/zinc/70/04/97/700700497.db2.gz XBIICOWYSOVILS-HOCLYGCPSA-N 1 3 334.464 1.699 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(C[C@@H](CC)OC)C2)C1 ZINC001031919223 701044440 /nfs/dbraw/zinc/04/44/40/701044440.db2.gz OZXWLAOEDYPHSK-DLBZAZTESA-N 1 3 325.497 1.581 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(C[C@@H](CC)OC)C2)C1 ZINC001031919223 701044442 /nfs/dbraw/zinc/04/44/42/701044442.db2.gz OZXWLAOEDYPHSK-DLBZAZTESA-N 1 3 325.497 1.581 20 0 EDADHO Cc1ncsc1CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168581 706596785 /nfs/dbraw/zinc/59/67/85/706596785.db2.gz GXECXHHAPQHVDU-HOTGVXAUSA-N 1 3 348.516 1.874 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344096 701480322 /nfs/dbraw/zinc/48/03/22/701480322.db2.gz CAAOMUGTEGTUDR-SFHVURJKSA-N 1 3 334.508 1.099 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431581 701538185 /nfs/dbraw/zinc/53/81/85/701538185.db2.gz PBLIGCIYJMOHIK-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431581 701538186 /nfs/dbraw/zinc/53/81/86/701538186.db2.gz PBLIGCIYJMOHIK-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO CC(C)CC[NH+]1CC(N2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000941438313 701540945 /nfs/dbraw/zinc/54/09/45/701540945.db2.gz PTANVGNRSVTHNS-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456911 701543281 /nfs/dbraw/zinc/54/32/81/701543281.db2.gz VSNARCMGWOYLCM-HKUYNNGSSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456911 701543282 /nfs/dbraw/zinc/54/32/82/701543282.db2.gz VSNARCMGWOYLCM-HKUYNNGSSA-N 1 3 348.535 1.488 20 0 EDADHO Cc1ccc(CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1C ZINC001032130291 701840700 /nfs/dbraw/zinc/84/07/00/701840700.db2.gz JLVZJRXMWCIHAF-UHFFFAOYSA-N 1 3 327.472 1.947 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2cncs2)C1 ZINC000999176547 706618586 /nfs/dbraw/zinc/61/85/86/706618586.db2.gz WTTHOESQMZYWSL-GDBMZVCRSA-N 1 3 334.489 1.566 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825936 702098879 /nfs/dbraw/zinc/09/88/79/702098879.db2.gz UNFNBFNCFKZGNA-IAGOWNOFSA-N 1 3 345.491 1.089 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995894797 702197463 /nfs/dbraw/zinc/19/74/63/702197463.db2.gz KWWAPQCHDHQZMQ-INIZCTEOSA-N 1 3 347.507 1.539 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293106 702685313 /nfs/dbraw/zinc/68/53/13/702685313.db2.gz BICJPBYRPGRSQG-JKSUJKDBSA-N 1 3 333.480 1.194 20 0 EDADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)N(C)C ZINC000996315053 702703278 /nfs/dbraw/zinc/70/32/78/702703278.db2.gz LXTPXFCQBHXOMM-DLBZAZTESA-N 1 3 349.523 1.612 20 0 EDADHO Cn1cc(CN[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996386495 702750218 /nfs/dbraw/zinc/75/02/18/702750218.db2.gz PFBYJKDZFIQWQM-KRWDZBQOSA-N 1 3 347.507 1.479 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518601 702854274 /nfs/dbraw/zinc/85/42/74/702854274.db2.gz LXLGVSYJCFZKAA-RDJZCZTQSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518601 702854277 /nfs/dbraw/zinc/85/42/77/702854277.db2.gz LXLGVSYJCFZKAA-RDJZCZTQSA-N 1 3 347.507 1.397 20 0 EDADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1cccnc1 ZINC000996520175 702856213 /nfs/dbraw/zinc/85/62/13/702856213.db2.gz NWOREAOLLCXKSS-INIZCTEOSA-N 1 3 328.460 1.504 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561502 702875613 /nfs/dbraw/zinc/87/56/13/702875613.db2.gz PTNFQPXFJLDLNR-WBMJQRKESA-N 1 3 346.479 1.097 20 0 EDADHO Cc1cccnc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996672599 702973783 /nfs/dbraw/zinc/97/37/83/702973783.db2.gz RTZVPAFZZBZNCA-UHFFFAOYSA-N 1 3 330.476 1.955 20 0 EDADHO O=C(N1CCC(NCc2cnns2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996725153 703019609 /nfs/dbraw/zinc/01/96/09/703019609.db2.gz FCXJYJBKTHJJRU-UHFFFAOYSA-N 1 3 349.504 1.495 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996853444 703132104 /nfs/dbraw/zinc/13/21/04/703132104.db2.gz DFKURUAIMRYRHP-WCQYABFASA-N 1 3 330.354 1.589 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC000996860409 703143871 /nfs/dbraw/zinc/14/38/71/703143871.db2.gz UUHMHRNYJPZDHR-SFHVURJKSA-N 1 3 346.475 1.938 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000997007234 703264375 /nfs/dbraw/zinc/26/43/75/703264375.db2.gz IZLDLJXOECGVJP-CXAGYDPISA-N 1 3 346.475 1.830 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000997007234 703264378 /nfs/dbraw/zinc/26/43/78/703264378.db2.gz IZLDLJXOECGVJP-CXAGYDPISA-N 1 3 346.475 1.830 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007320 703264744 /nfs/dbraw/zinc/26/47/44/703264744.db2.gz QCFDTBAIHRJERL-CYBMUJFWSA-N 1 3 329.435 1.954 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361615 703595615 /nfs/dbraw/zinc/59/56/15/703595615.db2.gz WZCRHAWTVGPKLF-HOTGVXAUSA-N 1 3 345.491 1.738 20 0 EDADHO C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC1 ZINC001032705933 706756472 /nfs/dbraw/zinc/75/64/72/706756472.db2.gz RQZUXSBPZCQOJU-IRXDYDNUSA-N 1 3 349.519 1.819 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040430324 703709244 /nfs/dbraw/zinc/70/92/44/703709244.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040430324 703709246 /nfs/dbraw/zinc/70/92/46/703709246.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 1 3 337.508 1.556 20 0 EDADHO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000997612744 703910269 /nfs/dbraw/zinc/91/02/69/703910269.db2.gz KPOKOYBPYPFVBP-QGZVFWFLSA-N 1 3 331.464 1.207 20 0 EDADHO CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079006 704130809 /nfs/dbraw/zinc/13/08/09/704130809.db2.gz YZBIIHIZWYKQJP-JKSUJKDBSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033079006 704130810 /nfs/dbraw/zinc/13/08/10/704130810.db2.gz YZBIIHIZWYKQJP-JKSUJKDBSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@@H](C)CN1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079006 704130811 /nfs/dbraw/zinc/13/08/11/704130811.db2.gz YZBIIHIZWYKQJP-JKSUJKDBSA-N 1 3 325.497 1.819 20 0 EDADHO C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)O1 ZINC000997830300 704749055 /nfs/dbraw/zinc/74/90/55/704749055.db2.gz HNLNCVYCFFLPIO-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)ncn1 ZINC000997830281 704749184 /nfs/dbraw/zinc/74/91/84/704749184.db2.gz HDXNEGCYNVXQHG-UHFFFAOYSA-N 1 3 345.491 1.598 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)ncn1 ZINC000997830681 704751016 /nfs/dbraw/zinc/75/10/16/704751016.db2.gz MACMRCXQDCREQV-SFHVURJKSA-N 1 3 345.491 1.453 20 0 EDADHO CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997831111 704751503 /nfs/dbraw/zinc/75/15/03/704751503.db2.gz QNTIKCDCGZAWLH-SFHVURJKSA-N 1 3 348.491 1.905 20 0 EDADHO C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028229 704954934 /nfs/dbraw/zinc/95/49/34/704954934.db2.gz GCGQFMGRXDBTGW-YJBOKZPZSA-N 1 3 333.476 1.571 20 0 EDADHO C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028229 704954938 /nfs/dbraw/zinc/95/49/38/704954938.db2.gz GCGQFMGRXDBTGW-YJBOKZPZSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000998044866 705240587 /nfs/dbraw/zinc/24/05/87/705240587.db2.gz AVBZJMACSUFEPQ-QGZVFWFLSA-N 1 3 336.480 1.897 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998217951 705540514 /nfs/dbraw/zinc/54/05/14/705540514.db2.gz UPCURUAQVLSGEW-INIZCTEOSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998217951 705540521 /nfs/dbraw/zinc/54/05/21/705540521.db2.gz UPCURUAQVLSGEW-INIZCTEOSA-N 1 3 334.464 1.653 20 0 EDADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1)N1CCCCC1 ZINC000999154363 706584633 /nfs/dbraw/zinc/58/46/33/706584633.db2.gz UQCYDRLUESBDJJ-IRXDYDNUSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999349454 706861628 /nfs/dbraw/zinc/86/16/28/706861628.db2.gz STIAMEOSKCYCGR-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000999398892 706893343 /nfs/dbraw/zinc/89/33/43/706893343.db2.gz AXZIASVLQOYULN-ODIFPOPNSA-N 1 3 346.475 1.654 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC000999398892 706893345 /nfs/dbraw/zinc/89/33/45/706893345.db2.gz AXZIASVLQOYULN-ODIFPOPNSA-N 1 3 346.475 1.654 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000999410379 706920205 /nfs/dbraw/zinc/92/02/05/706920205.db2.gz WKZDYYGJMDEJLE-OFLPRAFFSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999572916 707079301 /nfs/dbraw/zinc/07/93/01/707079301.db2.gz GGJXRKYRQFJDDC-QZTJIDSGSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnn(C)c2)C1 ZINC000999572916 707079302 /nfs/dbraw/zinc/07/93/02/707079302.db2.gz GGJXRKYRQFJDDC-QZTJIDSGSA-N 1 3 347.507 1.621 20 0 EDADHO Cn1nccc1CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999598551 707101276 /nfs/dbraw/zinc/10/12/76/707101276.db2.gz VNDAHHVRDLYFMX-HNNXBMFYSA-N 1 3 331.464 1.129 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2CC1)N(C)C ZINC000946784075 707281713 /nfs/dbraw/zinc/28/17/13/707281713.db2.gz AVDVDLOZTDFWOG-BBWFWOEESA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ocnc3C)C[C@H]2CC1)N(C)C ZINC000946784075 707281716 /nfs/dbraw/zinc/28/17/16/707281716.db2.gz AVDVDLOZTDFWOG-BBWFWOEESA-N 1 3 348.491 1.994 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCOC2)c1 ZINC001032799578 708078752 /nfs/dbraw/zinc/07/87/52/708078752.db2.gz DDKSSGPXAULRAF-NEWSRXKRSA-N 1 3 343.471 1.683 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCOC2)c1 ZINC001032799578 708078753 /nfs/dbraw/zinc/07/87/53/708078753.db2.gz DDKSSGPXAULRAF-NEWSRXKRSA-N 1 3 343.471 1.683 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185112 708112335 /nfs/dbraw/zinc/11/23/35/708112335.db2.gz PWUIBYIYZHNYQZ-ROUUACIJSA-N 1 3 337.508 1.963 20 0 EDADHO O=C(NCC1CCN(CCC(F)(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001002044111 708534816 /nfs/dbraw/zinc/53/48/16/708534816.db2.gz ZRUMGGJPIZWYSK-UHFFFAOYSA-N 1 3 333.398 1.863 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033904409 709032286 /nfs/dbraw/zinc/03/22/86/709032286.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 1 3 333.476 1.182 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033904409 709032290 /nfs/dbraw/zinc/03/22/90/709032290.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 1 3 333.476 1.182 20 0 EDADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCN(CCCO)C1 ZINC001033990877 709198109 /nfs/dbraw/zinc/19/81/09/709198109.db2.gz ZDNBXTNYNMKMAS-SFHVURJKSA-N 1 3 333.476 1.667 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001034039185 709271852 /nfs/dbraw/zinc/27/18/52/709271852.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 1 3 345.487 1.553 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CO)cc2)C1 ZINC001034039185 709271854 /nfs/dbraw/zinc/27/18/54/709271854.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 1 3 345.487 1.553 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790950 709398393 /nfs/dbraw/zinc/39/83/93/709398393.db2.gz CSWVKEANZLDPML-SJLPKXTDSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001002792007 709399831 /nfs/dbraw/zinc/39/98/31/709399831.db2.gz MCYYQXOOUBGYFP-QGZVFWFLSA-N 1 3 333.480 1.337 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001002792007 709399832 /nfs/dbraw/zinc/39/98/32/709399832.db2.gz MCYYQXOOUBGYFP-QGZVFWFLSA-N 1 3 333.480 1.337 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(CCn2cccn2)C1 ZINC001034204270 709526293 /nfs/dbraw/zinc/52/62/93/709526293.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(CCn2cccn2)C1 ZINC001034204270 709526296 /nfs/dbraw/zinc/52/62/96/709526296.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003011921 709783746 /nfs/dbraw/zinc/78/37/46/709783746.db2.gz UEJHANOZZPZAHF-QGZVFWFLSA-N 1 3 348.495 1.122 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003011921 709783749 /nfs/dbraw/zinc/78/37/49/709783749.db2.gz UEJHANOZZPZAHF-QGZVFWFLSA-N 1 3 348.495 1.122 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034397699 709938634 /nfs/dbraw/zinc/93/86/34/709938634.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 1 3 343.487 1.816 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034397699 709938636 /nfs/dbraw/zinc/93/86/36/709938636.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 1 3 343.487 1.816 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491393 710111737 /nfs/dbraw/zinc/11/17/37/710111737.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 1 3 347.507 1.275 20 0 EDADHO Cn1cc(CCN2CCCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491393 710111739 /nfs/dbraw/zinc/11/17/39/710111739.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 1 3 347.507 1.275 20 0 EDADHO O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003333202 710257367 /nfs/dbraw/zinc/25/73/67/710257367.db2.gz PSEQECQDKVOWPL-RMXPPQQLSA-N 1 3 333.476 1.230 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643512 710319682 /nfs/dbraw/zinc/31/96/82/710319682.db2.gz XJBCXSVKKGSFLJ-KZNAEPCWSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003627922 710457920 /nfs/dbraw/zinc/45/79/20/710457920.db2.gz JSFSCVXLPSXKTB-QGZVFWFLSA-N 1 3 345.487 1.988 20 0 EDADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628432 710458086 /nfs/dbraw/zinc/45/80/86/710458086.db2.gz PNINWGVKKJYLBU-OAHLLOKOSA-N 1 3 333.480 1.028 20 0 EDADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001003629034 710458833 /nfs/dbraw/zinc/45/88/33/710458833.db2.gz XBICJKKFMDQIAR-OAHLLOKOSA-N 1 3 333.480 1.028 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034659180 710588413 /nfs/dbraw/zinc/58/84/13/710588413.db2.gz OJDCVDYUKZEVIA-BQFCYCMXSA-N 1 3 347.507 1.812 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034659180 710588419 /nfs/dbraw/zinc/58/84/19/710588419.db2.gz OJDCVDYUKZEVIA-BQFCYCMXSA-N 1 3 347.507 1.812 20 0 EDADHO Cn1ccnc1CN[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034683837 710699646 /nfs/dbraw/zinc/69/96/46/710699646.db2.gz MOLFYGASUVOXLN-WKILWMFISA-N 1 3 345.491 1.566 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)C1 ZINC001034734581 710917039 /nfs/dbraw/zinc/91/70/39/710917039.db2.gz RSVXTYQHCGKVMW-BZUAXINKSA-N 1 3 333.480 1.279 20 0 EDADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034775132 711048618 /nfs/dbraw/zinc/04/86/18/711048618.db2.gz GKYGQOSGUHUBRQ-BZUAXINKSA-N 1 3 338.496 1.143 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3nnc[nH]3)CC2)CC1 ZINC000557664335 306232652 /nfs/dbraw/zinc/23/26/52/306232652.db2.gz RFGPFIAGGRKLKE-CYBMUJFWSA-N 1 3 334.468 1.178 20 0 EDADHO [NH3+][C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000333937267 539662122 /nfs/dbraw/zinc/66/21/22/539662122.db2.gz LKQSIUHTSWXHKG-AWEZNQCLSA-N 1 3 326.510 1.481 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)n(C2CCN(C)CC2)n1 ZINC000562751653 306307930 /nfs/dbraw/zinc/30/79/30/306307930.db2.gz KCHBRGVIQROVFU-DOMZBBRYSA-N 1 3 334.468 1.578 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686943 283069318 /nfs/dbraw/zinc/06/93/18/283069318.db2.gz QDVZYSNAKRMMMI-XDNAFOTISA-N 1 3 328.460 1.478 20 0 EDADHO CC1CCN(CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074011127 138222764 /nfs/dbraw/zinc/22/27/64/138222764.db2.gz LHLZDMHGBPBJAP-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539400 306338186 /nfs/dbraw/zinc/33/81/86/306338186.db2.gz QADKSVGXXDSBRN-AZUAARDMSA-N 1 3 348.510 1.968 20 0 EDADHO CN(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000077622388 138253586 /nfs/dbraw/zinc/25/35/86/138253586.db2.gz QDSSFBWYNMKZBV-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCCCCC1 ZINC000076306823 138247883 /nfs/dbraw/zinc/24/78/83/138247883.db2.gz BPTTWSKCBHNZJT-KRWDZBQOSA-N 1 3 325.497 1.772 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603660 138264611 /nfs/dbraw/zinc/26/46/11/138264611.db2.gz QLOJQPPXFWMPRD-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603660 138264612 /nfs/dbraw/zinc/26/46/12/138264612.db2.gz QLOJQPPXFWMPRD-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO COCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000101612091 138298279 /nfs/dbraw/zinc/29/82/79/138298279.db2.gz JMJZNFMHZHDGCI-AWEZNQCLSA-N 1 3 326.485 1.269 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563624945 306342619 /nfs/dbraw/zinc/34/26/19/306342619.db2.gz PCPPHLYAQXONSD-RCCFBDPRSA-N 1 3 328.460 1.504 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376597 /nfs/dbraw/zinc/37/65/97/306376597.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 1 3 343.475 1.964 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000565158085 306376598 /nfs/dbraw/zinc/37/65/98/306376598.db2.gz QNWMXCRUVUGKFZ-IRXDYDNUSA-N 1 3 343.475 1.964 20 0 EDADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000262256768 283581099 /nfs/dbraw/zinc/58/10/99/283581099.db2.gz FLJYUPZHIFEHEC-MAUKXSAKSA-N 1 3 345.487 1.777 20 0 EDADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067054 304099670 /nfs/dbraw/zinc/09/96/70/304099670.db2.gz HPJYMJXMUXTWCM-INIZCTEOSA-N 1 3 328.464 1.678 20 0 EDADHO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000565351213 306381985 /nfs/dbraw/zinc/38/19/85/306381985.db2.gz XBRTVGPXYABFKS-KSSFIOAISA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)NCCOCC[NH+](C)C ZINC000414139925 304102473 /nfs/dbraw/zinc/10/24/73/304102473.db2.gz QUHWMUYAQCLYPD-LBPRGKRZSA-N 1 3 346.269 1.167 20 0 EDADHO CCn1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cn1 ZINC000051235894 201125564 /nfs/dbraw/zinc/12/55/64/201125564.db2.gz CJDHOVKAWXWONA-UHFFFAOYSA-N 1 3 334.468 1.583 20 0 EDADHO O=C(CN1CCC([NH2+][C@@H]2CCCNCC2)CC1)Nc1ccccc1 ZINC000565821424 306392137 /nfs/dbraw/zinc/39/21/37/306392137.db2.gz GUQKRZJKRDMKKR-QGZVFWFLSA-N 1 3 330.476 1.821 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000414701682 304129771 /nfs/dbraw/zinc/12/97/71/304129771.db2.gz KNZWXVITVDMKRL-QLFBSQMISA-N 1 3 346.475 1.881 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 ZINC000414701701 304129953 /nfs/dbraw/zinc/12/99/53/304129953.db2.gz KOOVEBYSVMEATK-LSDHHAIUSA-N 1 3 346.475 1.724 20 0 EDADHO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414709667 304131352 /nfs/dbraw/zinc/13/13/52/304131352.db2.gz PCVVIYDIVKLKIY-LLVKDONJSA-N 1 3 329.366 1.733 20 0 EDADHO C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414709667 304131353 /nfs/dbraw/zinc/13/13/53/304131353.db2.gz PCVVIYDIVKLKIY-LLVKDONJSA-N 1 3 329.366 1.733 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714712 304131641 /nfs/dbraw/zinc/13/16/41/304131641.db2.gz XYTVQPNZFNGMGA-JKSUJKDBSA-N 1 3 339.505 1.593 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717739 304131936 /nfs/dbraw/zinc/13/19/36/304131936.db2.gz ZYCHRQDPBAGCLN-GOSISDBHSA-N 1 3 346.519 1.684 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000414729810 304133591 /nfs/dbraw/zinc/13/35/91/304133591.db2.gz DCSMJEQGWWIWRX-MRXNPFEDSA-N 1 3 348.491 1.827 20 0 EDADHO Fc1ccc(Br)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414785298 304140387 /nfs/dbraw/zinc/14/03/87/304140387.db2.gz UYNNFPWOATZROL-UHFFFAOYSA-N 1 3 330.245 1.973 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414844137 304146790 /nfs/dbraw/zinc/14/67/90/304146790.db2.gz PCZBHIIFMYTMBQ-ZDUSSCGKSA-N 1 3 348.422 1.010 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000567051482 306436334 /nfs/dbraw/zinc/43/63/34/306436334.db2.gz RMSRTMAVHYNXJJ-CQSZACIVSA-N 1 3 346.475 1.837 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105113749 204134551 /nfs/dbraw/zinc/13/45/51/204134551.db2.gz QAGYTDDHKRGIEK-KRWDZBQOSA-N 1 3 348.491 1.863 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236803605 139031913 /nfs/dbraw/zinc/03/19/13/139031913.db2.gz RUWVXNIJLMPPPX-HNNXBMFYSA-N 1 3 329.510 1.087 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237341003 139048574 /nfs/dbraw/zinc/04/85/74/139048574.db2.gz IBZFBMASTUQXFC-MJGOQNOKSA-N 1 3 344.503 1.927 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130488984 205242366 /nfs/dbraw/zinc/24/23/66/205242366.db2.gz YQWWJEOJRYOVIP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130488984 205242371 /nfs/dbraw/zinc/24/23/71/205242371.db2.gz YQWWJEOJRYOVIP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000130488984 205242373 /nfs/dbraw/zinc/24/23/73/205242373.db2.gz YQWWJEOJRYOVIP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194114 304173477 /nfs/dbraw/zinc/17/34/77/304173477.db2.gz KZTDDQIUWPDTDH-INIZCTEOSA-N 1 3 344.459 1.465 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567505145 306453893 /nfs/dbraw/zinc/45/38/93/306453893.db2.gz NPFZRNPHPBQOJO-OAHLLOKOSA-N 1 3 342.447 1.652 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000237606631 139055399 /nfs/dbraw/zinc/05/53/99/139055399.db2.gz ZZTOWLLPNWPMTB-CALCHBBNSA-N 1 3 336.524 1.665 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000237606631 139055400 /nfs/dbraw/zinc/05/54/00/139055400.db2.gz ZZTOWLLPNWPMTB-CALCHBBNSA-N 1 3 336.524 1.665 20 0 EDADHO C[N@@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111581680 220166340 /nfs/dbraw/zinc/16/63/40/220166340.db2.gz PNPZJYSKBHRDMF-IBGZPJMESA-N 1 3 344.503 1.799 20 0 EDADHO C[N@H+]1CCC[C@H]1CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000111581680 220166343 /nfs/dbraw/zinc/16/63/43/220166343.db2.gz PNPZJYSKBHRDMF-IBGZPJMESA-N 1 3 344.503 1.799 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415344373 304198969 /nfs/dbraw/zinc/19/89/69/304198969.db2.gz DJAIGENIFSOOCM-GDBMZVCRSA-N 1 3 346.475 1.499 20 0 EDADHO Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1CN(C)C ZINC000415417275 304218599 /nfs/dbraw/zinc/21/85/99/304218599.db2.gz VKZAHLKNBZDLKR-HNNXBMFYSA-N 1 3 346.475 1.501 20 0 EDADHO CN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261546571 139208830 /nfs/dbraw/zinc/20/88/30/139208830.db2.gz HASMAQPPSITWAE-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(F)cc3cccnc32)C1 ZINC000261628064 139212685 /nfs/dbraw/zinc/21/26/85/139212685.db2.gz HBFHNGFLQCMUMM-CQSZACIVSA-N 1 3 330.407 1.661 20 0 EDADHO C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000261644575 139213879 /nfs/dbraw/zinc/21/38/79/139213879.db2.gz GVEPHWMMBGDEAT-DZGCQCFKSA-N 1 3 325.478 1.415 20 0 EDADHO COc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645242 139214083 /nfs/dbraw/zinc/21/40/83/139214083.db2.gz IZOIHURTUKIRPM-WMZOPIPTSA-N 1 3 331.460 1.775 20 0 EDADHO COc1ccccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723691 139220642 /nfs/dbraw/zinc/22/06/42/139220642.db2.gz RADBFPPXDDTNQY-WBVHZDCISA-N 1 3 331.460 1.775 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261926246 139237579 /nfs/dbraw/zinc/23/75/79/139237579.db2.gz ZHAGNZKHCWPZKH-OLMNPRSZSA-N 1 3 331.460 1.835 20 0 EDADHO C[C@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262030019 139245107 /nfs/dbraw/zinc/24/51/07/139245107.db2.gz BMIMDXLRULOJKI-AWEZNQCLSA-N 1 3 349.450 1.641 20 0 EDADHO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000262100255 139250934 /nfs/dbraw/zinc/25/09/34/139250934.db2.gz SSZLDSXTHDERAG-WMLDXEAASA-N 1 3 339.505 1.934 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128268 139253316 /nfs/dbraw/zinc/25/33/16/139253316.db2.gz CVCMPDKVMKUNJS-HLIPFELVSA-N 1 3 349.519 1.996 20 0 EDADHO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CCC1 ZINC000415568706 304227228 /nfs/dbraw/zinc/22/72/28/304227228.db2.gz ZVONBPMHGZZJID-UHFFFAOYSA-N 1 3 344.459 1.609 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415506639 250977896 /nfs/dbraw/zinc/97/78/96/250977896.db2.gz SWPWGWZAJBBBQO-MRXNPFEDSA-N 1 3 331.464 1.654 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831298 251112548 /nfs/dbraw/zinc/11/25/48/251112548.db2.gz AVMCBPNDPASFIY-AEFFLSMTSA-N 1 3 328.460 1.797 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000417011953 251130496 /nfs/dbraw/zinc/13/04/96/251130496.db2.gz UOFFPTNLOMJJDF-KKUMJFAQSA-N 1 3 340.493 1.105 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222833 251147946 /nfs/dbraw/zinc/14/79/46/251147946.db2.gz QUMIUPZMUWKFMB-BGTYHANMSA-N 1 3 328.460 1.825 20 0 EDADHO C[C@H]1C[C@@H](C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC[NH2+]1 ZINC000262368545 139273700 /nfs/dbraw/zinc/27/37/00/139273700.db2.gz JRUCBJUBXQABKO-STQMWFEESA-N 1 3 346.431 1.483 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000176084766 207189538 /nfs/dbraw/zinc/18/95/38/207189538.db2.gz VFYDNTOCEISEFJ-UHFFFAOYSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000417847032 251295507 /nfs/dbraw/zinc/29/55/07/251295507.db2.gz UNVVJCFOBJBJTC-KBAYOESNSA-N 1 3 346.475 1.409 20 0 EDADHO CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)NC[C@@H]2C)CC1 ZINC000417803906 251277142 /nfs/dbraw/zinc/27/71/42/251277142.db2.gz GFGFEGLSEKPCNP-GJZGRUSLSA-N 1 3 326.485 1.268 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108181 251324422 /nfs/dbraw/zinc/32/44/22/251324422.db2.gz AOJGHPVTSQPPIS-HZPDHXFCSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000262516692 139283686 /nfs/dbraw/zinc/28/36/86/139283686.db2.gz GNRWCJARXLAPIL-IAGOWNOFSA-N 1 3 332.492 1.688 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112141 251327323 /nfs/dbraw/zinc/32/73/23/251327323.db2.gz HVMRKRMJEMJNEV-INIZCTEOSA-N 1 3 340.512 1.838 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114315 251329665 /nfs/dbraw/zinc/32/96/65/251329665.db2.gz LNXPNDJFZUMLSA-GOEBONIOSA-N 1 3 326.485 1.304 20 0 EDADHO CCn1nncc1CNCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000417864250 251304009 /nfs/dbraw/zinc/30/40/09/251304009.db2.gz GTIZIQYERVWTLU-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000418151502 251346331 /nfs/dbraw/zinc/34/63/31/251346331.db2.gz STIRIPHXUGYQDI-ZWKOTPCHSA-N 1 3 330.476 1.934 20 0 EDADHO [NH3+]C[C@H](NC(=O)N[C@H]1CCCN(CCCO)C1)C1CCCCC1 ZINC000418384467 251364097 /nfs/dbraw/zinc/36/40/97/251364097.db2.gz ONCILGNOFFXLNN-HOTGVXAUSA-N 1 3 326.485 1.040 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418722350 251396594 /nfs/dbraw/zinc/39/65/94/251396594.db2.gz MTSNDKIHRAGWCT-HZPDHXFCSA-N 1 3 339.528 1.219 20 0 EDADHO [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000418750649 251411515 /nfs/dbraw/zinc/41/15/15/251411515.db2.gz OWJAUFUXAIMBQN-CQSZACIVSA-N 1 3 326.391 1.197 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418534587 251378011 /nfs/dbraw/zinc/37/80/11/251378011.db2.gz XLYUXYYRLOUIOG-GFCCVEGCSA-N 1 3 328.407 1.775 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000418641331 251382781 /nfs/dbraw/zinc/38/27/81/251382781.db2.gz SAWZHPNUSAENAV-MPGHIAIKSA-N 1 3 330.476 1.938 20 0 EDADHO CC1CCC(N2CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC2)CC1 ZINC000418701033 251388770 /nfs/dbraw/zinc/38/87/70/251388770.db2.gz CKFBPXSKKBJXPU-JXQTWKCFSA-N 1 3 332.439 1.875 20 0 EDADHO CCC[C@H](N)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666737 139294765 /nfs/dbraw/zinc/29/47/65/139294765.db2.gz KRGBSIKRLHWDJN-ROUUACIJSA-N 1 3 333.476 1.676 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@@H]1NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422878082 252008950 /nfs/dbraw/zinc/00/89/50/252008950.db2.gz IWHJLBDIRZTPJW-LUKYLMHMSA-N 1 3 325.497 1.628 20 0 EDADHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791140 252075637 /nfs/dbraw/zinc/07/56/37/252075637.db2.gz GYDNUUWLQHMGBF-NXHRZFHOSA-N 1 3 332.492 1.981 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000423801327 252081628 /nfs/dbraw/zinc/08/16/28/252081628.db2.gz SUUOFCFXARXVEQ-KURKYZTESA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917170 139312668 /nfs/dbraw/zinc/31/26/68/139312668.db2.gz ZBFSCCYRPSHSCN-UKRRQHHQSA-N 1 3 332.448 1.450 20 0 EDADHO Cn1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161342 252149232 /nfs/dbraw/zinc/14/92/32/252149232.db2.gz VSHWLXUNHVKWMM-HOTGVXAUSA-N 1 3 345.491 1.588 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCNC(=O)CCCc1ccccc1 ZINC000424375510 252202553 /nfs/dbraw/zinc/20/25/53/252202553.db2.gz KGEVUAKMCNHJCD-SZMVWBNQSA-N 1 3 333.476 1.467 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)c1 ZINC000424471772 252242258 /nfs/dbraw/zinc/24/22/58/252242258.db2.gz TYGXMOLYAFEHCV-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826846 285035366 /nfs/dbraw/zinc/03/53/66/285035366.db2.gz VYHDVVBVXKRRPW-HOTGVXAUSA-N 1 3 328.501 1.373 20 0 EDADHO COCCN1CC[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422892914 285059929 /nfs/dbraw/zinc/05/99/29/285059929.db2.gz ZSUKGDADJBRZDD-KVSKMBFKSA-N 1 3 331.460 1.553 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N3CCN4CCC3CC4)CC2)CC1 ZINC000570056658 306529288 /nfs/dbraw/zinc/52/92/88/306529288.db2.gz VYSCGPYRWAEYLM-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354985841 285193586 /nfs/dbraw/zinc/19/35/86/285193586.db2.gz UBXYOEWHIHTCRG-FUHWJXTLSA-N 1 3 336.524 1.488 20 0 EDADHO CC[N@H+](CCNC(=O)NCc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000263746769 139357427 /nfs/dbraw/zinc/35/74/27/139357427.db2.gz PDQDJSVVPIMEDX-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@@H+](CCNC(=O)NCc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000263746769 139357428 /nfs/dbraw/zinc/35/74/28/139357428.db2.gz PDQDJSVVPIMEDX-UHFFFAOYSA-N 1 3 348.491 1.911 20 0 EDADHO CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CCN)cc2)CC1 ZINC000415878787 304283616 /nfs/dbraw/zinc/28/36/16/304283616.db2.gz NOTCRWNIQGEHFY-UHFFFAOYSA-N 1 3 332.448 1.274 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN(C2CCC2)C1 ZINC000416055415 304287652 /nfs/dbraw/zinc/28/76/52/304287652.db2.gz XHBJZTRRVMWCTM-WCQYABFASA-N 1 3 336.402 1.782 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)N[C@H]1CC[NH2+]C1 ZINC000333127169 141268356 /nfs/dbraw/zinc/26/83/56/141268356.db2.gz BFBZCZWKOZFSQB-AWEZNQCLSA-N 1 3 326.510 1.399 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471214 141322685 /nfs/dbraw/zinc/32/26/85/141322685.db2.gz ASXPRBMMAVBGKX-GOEBONIOSA-N 1 3 329.510 1.312 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@H]12 ZINC000333540802 141333870 /nfs/dbraw/zinc/33/38/70/141333870.db2.gz JFKABAICZAXOLX-BPQIPLTHSA-N 1 3 343.475 1.677 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333854094 141395174 /nfs/dbraw/zinc/39/51/74/141395174.db2.gz OEBICKNRAWJCQQ-SZMVWBNQSA-N 1 3 337.508 1.852 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339573067 142081193 /nfs/dbraw/zinc/08/11/93/142081193.db2.gz GHQMJZNUGGERND-UHFFFAOYSA-N 1 3 340.512 1.215 20 0 EDADHO COc1ccsc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645533 143225678 /nfs/dbraw/zinc/22/56/78/143225678.db2.gz DTURTFVXGUXEMQ-KBPBESRZSA-N 1 3 337.489 1.837 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@](C)(F)C3)CC2)CC1 ZINC000347013094 143271436 /nfs/dbraw/zinc/27/14/36/143271436.db2.gz MMRVPKGEUFIBNP-KRWDZBQOSA-N 1 3 326.460 1.689 20 0 EDADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347105774 143283270 /nfs/dbraw/zinc/28/32/70/143283270.db2.gz NHKCNTWZMVWUCL-OAHLLOKOSA-N 1 3 335.496 1.542 20 0 EDADHO CCCOc1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347120139 143284883 /nfs/dbraw/zinc/28/48/83/143284883.db2.gz VNVRUKALGMQAPR-INIZCTEOSA-N 1 3 349.475 1.771 20 0 EDADHO Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348080324 143398450 /nfs/dbraw/zinc/39/84/50/143398450.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 1 3 337.487 1.749 20 0 EDADHO Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCCN1C ZINC000348080324 143398451 /nfs/dbraw/zinc/39/84/51/143398451.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 1 3 337.487 1.749 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)[C@H](C[NH3+])C1 ZINC000573073457 306610422 /nfs/dbraw/zinc/61/04/22/306610422.db2.gz CORIHUZVMNFLNE-ZMSDIMECSA-N 1 3 332.448 1.021 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417550383 292168375 /nfs/dbraw/zinc/16/83/75/292168375.db2.gz VCVQVZOHWYJULA-CQSZACIVSA-N 1 3 328.501 1.693 20 0 EDADHO CCCCOC(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000369766809 155169588 /nfs/dbraw/zinc/16/95/88/155169588.db2.gz ODNWTTHPLTUGRT-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000369766809 155169590 /nfs/dbraw/zinc/16/95/90/155169590.db2.gz ODNWTTHPLTUGRT-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CCCCOC(=O)CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000369766809 155169592 /nfs/dbraw/zinc/16/95/92/155169592.db2.gz ODNWTTHPLTUGRT-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000369795968 155180448 /nfs/dbraw/zinc/18/04/48/155180448.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000369795968 155180451 /nfs/dbraw/zinc/18/04/51/155180451.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO COC[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846836 304351782 /nfs/dbraw/zinc/35/17/82/304351782.db2.gz UQDJZNNAWPFWCH-MJGOQNOKSA-N 1 3 346.475 1.329 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000356084041 286058072 /nfs/dbraw/zinc/05/80/72/286058072.db2.gz DFGDNNHKRZZGST-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)N(C)CCN(C)C)[C@@H](C)C1 ZINC000356084041 286058073 /nfs/dbraw/zinc/05/80/73/286058073.db2.gz DFGDNNHKRZZGST-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353474413 149420175 /nfs/dbraw/zinc/42/01/75/149420175.db2.gz WHJKGAZKBGJLSU-LBPRGKRZSA-N 1 3 325.375 1.225 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000416968246 304357147 /nfs/dbraw/zinc/35/71/47/304357147.db2.gz ACGLURXBYJVQLD-SFHVURJKSA-N 1 3 330.476 1.730 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000416973385 304358665 /nfs/dbraw/zinc/35/86/65/304358665.db2.gz INUDBLARIYEDHI-GOSISDBHSA-N 1 3 334.464 1.507 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000416973665 304358515 /nfs/dbraw/zinc/35/85/15/304358515.db2.gz JOCHSGQPUWOBLD-AEFFLSMTSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000416977166 304359686 /nfs/dbraw/zinc/35/96/86/304359686.db2.gz SRNJSNXURXUSIA-HNNXBMFYSA-N 1 3 334.464 1.426 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)CN1 ZINC000416979753 304360394 /nfs/dbraw/zinc/36/03/94/304360394.db2.gz XJWTTXLREPAHJX-CABCVRRESA-N 1 3 334.464 1.519 20 0 EDADHO C[C@H]1CN(C[C@@H](O)COc2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355029079 150082710 /nfs/dbraw/zinc/08/27/10/150082710.db2.gz ITNDMZGPYCMYGQ-PKOBYXMFSA-N 1 3 347.503 1.527 20 0 EDADHO C[C@H]1CN(C[C@@H](O)COc2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000355029079 150082711 /nfs/dbraw/zinc/08/27/11/150082711.db2.gz ITNDMZGPYCMYGQ-PKOBYXMFSA-N 1 3 347.503 1.527 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000357540178 151061495 /nfs/dbraw/zinc/06/14/95/151061495.db2.gz JTRORWBEJKSECM-JJRVBVJISA-N 1 3 338.452 1.075 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)c1ccco1 ZINC000357540178 151061500 /nfs/dbraw/zinc/06/15/00/151061500.db2.gz JTRORWBEJKSECM-JJRVBVJISA-N 1 3 338.452 1.075 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC[NH+](C)CC1 ZINC000357873522 151180034 /nfs/dbraw/zinc/18/00/34/151180034.db2.gz VAMMACGXDOZSPF-UKRRQHHQSA-N 1 3 340.537 1.596 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000360796818 152208574 /nfs/dbraw/zinc/20/85/74/152208574.db2.gz HXJCYAYIBOZYDW-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000360796818 152208577 /nfs/dbraw/zinc/20/85/77/152208577.db2.gz HXJCYAYIBOZYDW-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)[NH+]1CCCC1 ZINC000361288019 152354194 /nfs/dbraw/zinc/35/41/94/152354194.db2.gz NSKMWYQLUMDNQM-IKGGRYGDSA-N 1 3 338.496 1.269 20 0 EDADHO CN1CCC([NH+]2CCC(CCNCN3CCC(=O)CC3)CC2)CC1 ZINC000363926602 153098873 /nfs/dbraw/zinc/09/88/73/153098873.db2.gz JTWOFMWTVWSHFT-UHFFFAOYSA-N 1 3 336.524 1.395 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000364250332 153186008 /nfs/dbraw/zinc/18/60/08/153186008.db2.gz SXKYKWXKOZROCS-CSLAMCDYSA-N 1 3 337.508 1.842 20 0 EDADHO CCN(CC)CCC[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364352843 153214045 /nfs/dbraw/zinc/21/40/45/153214045.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 1 3 338.540 1.737 20 0 EDADHO CCN(CC)CCC[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364352843 153214048 /nfs/dbraw/zinc/21/40/48/153214048.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 1 3 338.540 1.737 20 0 EDADHO CC[NH+](CC)CCCN(C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364352843 153214049 /nfs/dbraw/zinc/21/40/49/153214049.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 1 3 338.540 1.737 20 0 EDADHO C[N@H+](C[C@H]1CC12CCN(C(=O)c1[nH]nc3c1CNCC3)CC2)C1CC1 ZINC000364738274 153320063 /nfs/dbraw/zinc/32/00/63/153320063.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 1 3 343.475 1.392 20 0 EDADHO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1[nH]nc3c1CNCC3)CC2)C1CC1 ZINC000364738274 153320065 /nfs/dbraw/zinc/32/00/65/153320065.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 1 3 343.475 1.392 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NC1CCN(Cc2cccs2)CC1 ZINC000364863237 153354710 /nfs/dbraw/zinc/35/47/10/153354710.db2.gz BENUVPXSGGJJRW-AWEZNQCLSA-N 1 3 339.530 1.924 20 0 EDADHO C[N@H+](C[C@H]1CC12CCN(C[C@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208005 154041919 /nfs/dbraw/zinc/04/19/19/154041919.db2.gz FWXKSINNJBQTGI-WBVHZDCISA-N 1 3 335.492 1.166 20 0 EDADHO C[N@@H+](C[C@H]1CC12CCN(C[C@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208005 154041922 /nfs/dbraw/zinc/04/19/22/154041922.db2.gz FWXKSINNJBQTGI-WBVHZDCISA-N 1 3 335.492 1.166 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[C@@H]2CSCCN2)cc1 ZINC000367595024 154192728 /nfs/dbraw/zinc/19/27/28/154192728.db2.gz UVOHQYYSYKYEKK-HYVNUMGLSA-N 1 3 349.500 1.352 20 0 EDADHO CN1CC[NH+](C[C@H]2CCCN(C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624525 154204129 /nfs/dbraw/zinc/20/41/29/154204129.db2.gz VXUOWNPLMWRGQT-VQIMIIECSA-N 1 3 335.467 1.819 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367654672 154216504 /nfs/dbraw/zinc/21/65/04/154216504.db2.gz AYZKMXXLLNLVRD-XYJFISCASA-N 1 3 338.540 1.780 20 0 EDADHO CC(C)[C@](C)(CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000367905553 154319351 /nfs/dbraw/zinc/31/93/51/154319351.db2.gz AGSHVGZQQVPCOS-SFHVURJKSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000417359307 304394941 /nfs/dbraw/zinc/39/49/41/304394941.db2.gz ILSSMXDAFWBQER-GDBMZVCRSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000377935114 158033321 /nfs/dbraw/zinc/03/33/21/158033321.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 1 3 337.508 1.722 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000377935114 158033323 /nfs/dbraw/zinc/03/33/23/158033323.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 1 3 337.508 1.722 20 0 EDADHO COCC[C@]1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[NH2+]C1 ZINC000378200343 158106233 /nfs/dbraw/zinc/10/62/33/158106233.db2.gz BLLDVHRKSWWPKE-FAFZWHIHSA-N 1 3 337.508 1.726 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000378206009 158109340 /nfs/dbraw/zinc/10/93/40/158109340.db2.gz OPKCMODLJNCIJD-HQSKLWIPSA-N 1 3 334.508 1.146 20 0 EDADHO CCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499819 162214932 /nfs/dbraw/zinc/21/49/32/162214932.db2.gz LWMFYBMNIHRZJC-INIZCTEOSA-N 1 3 339.505 1.901 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418185830 304461913 /nfs/dbraw/zinc/46/19/13/304461913.db2.gz BMBIHHLISBVPBO-HNNXBMFYSA-N 1 3 349.479 1.292 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000088727563 287319534 /nfs/dbraw/zinc/31/95/34/287319534.db2.gz AIOBVQQFWLEMKP-GOSISDBHSA-N 1 3 344.503 1.929 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418297930 304476514 /nfs/dbraw/zinc/47/65/14/304476514.db2.gz PDTGOGYGKGNCNV-HNNXBMFYSA-N 1 3 326.485 1.400 20 0 EDADHO Cc1ncsc1CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665757372 452324589 /nfs/dbraw/zinc/32/45/89/452324589.db2.gz HTILQOTXXGBWRL-ZDUSSCGKSA-N 1 3 341.525 1.865 20 0 EDADHO Cc1ncsc1CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665757372 452324601 /nfs/dbraw/zinc/32/46/01/452324601.db2.gz HTILQOTXXGBWRL-ZDUSSCGKSA-N 1 3 341.525 1.865 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000665757854 452327290 /nfs/dbraw/zinc/32/72/90/452327290.db2.gz YHPQTKJECQOVOH-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C[C@H]1CCCOC1 ZINC000665757854 452327296 /nfs/dbraw/zinc/32/72/96/452327296.db2.gz YHPQTKJECQOVOH-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418401098 304491906 /nfs/dbraw/zinc/49/19/06/304491906.db2.gz MZQRPKZEMBSLOX-MRXNPFEDSA-N 1 3 340.418 1.775 20 0 EDADHO Cc1cc(F)ccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130536770 287494525 /nfs/dbraw/zinc/49/45/25/287494525.db2.gz SYNPXURVTSHWPF-UHFFFAOYSA-N 1 3 338.427 1.024 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000237282545 273008745 /nfs/dbraw/zinc/00/87/45/273008745.db2.gz FLVJASFRWZSAND-QGZVFWFLSA-N 1 3 332.492 1.479 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268804854 273022233 /nfs/dbraw/zinc/02/22/33/273022233.db2.gz KMNDCSPZWLFRCO-QWFCFKBJSA-N 1 3 345.535 1.912 20 0 EDADHO C[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000274381107 268131983 /nfs/dbraw/zinc/13/19/83/268131983.db2.gz AXWMOBXQTAUOGR-IUODEOHRSA-N 1 3 329.366 1.904 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278984904 268761697 /nfs/dbraw/zinc/76/16/97/268761697.db2.gz KIDKXAREXMMVOR-ZDUSSCGKSA-N 1 3 343.431 1.679 20 0 EDADHO COC[C@H](CC1CCOCC1)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000657906546 452604402 /nfs/dbraw/zinc/60/44/02/452604402.db2.gz UIDXCQKALJAVDN-KRWDZBQOSA-N 1 3 328.497 1.643 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccncc1 ZINC000263644611 276370783 /nfs/dbraw/zinc/37/07/83/276370783.db2.gz BVCMIDPVERMWLY-GOSISDBHSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccncc1 ZINC000263644611 276370784 /nfs/dbraw/zinc/37/07/84/276370784.db2.gz BVCMIDPVERMWLY-GOSISDBHSA-N 1 3 332.492 1.889 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000341868306 277223221 /nfs/dbraw/zinc/22/32/21/277223221.db2.gz GWLPPIDLAXMXKL-DLBZAZTESA-N 1 3 325.497 1.724 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000359338529 277305377 /nfs/dbraw/zinc/30/53/77/277305377.db2.gz BXVMFYAYPRBEKL-FGTMMUONSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000359338529 277305378 /nfs/dbraw/zinc/30/53/78/277305378.db2.gz BXVMFYAYPRBEKL-FGTMMUONSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H](C(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260399 278136698 /nfs/dbraw/zinc/13/66/98/278136698.db2.gz VWPNKQDVZNMKNT-OAGGEKHMSA-N 1 3 337.508 1.580 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359552045 279142067 /nfs/dbraw/zinc/14/20/67/279142067.db2.gz BTNVVEKRGHDXTC-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000354556543 279277340 /nfs/dbraw/zinc/27/73/40/279277340.db2.gz SYEHGXFCQWMMJR-FVQBIDKESA-N 1 3 326.485 1.004 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353893 /nfs/dbraw/zinc/35/38/93/279353893.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353896 /nfs/dbraw/zinc/35/38/96/279353896.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000178873927 279363410 /nfs/dbraw/zinc/36/34/10/279363410.db2.gz BSMKHSFXOJJJJT-INIZCTEOSA-N 1 3 332.492 1.296 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000287478022 288246639 /nfs/dbraw/zinc/24/66/39/288246639.db2.gz JYYAABHCHSAGNU-NVXWUHKLSA-N 1 3 334.464 1.691 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000288553114 288512869 /nfs/dbraw/zinc/51/28/69/288512869.db2.gz VTNWKSJPXCQBFI-WBVHZDCISA-N 1 3 346.475 1.721 20 0 EDADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000290227261 288861872 /nfs/dbraw/zinc/86/18/72/288861872.db2.gz RKQVEAUDEAPTKV-RTBURBONSA-N 1 3 347.503 1.920 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418200478 289172351 /nfs/dbraw/zinc/17/23/51/289172351.db2.gz YOGULDWFKTWOSR-HNNXBMFYSA-N 1 3 335.452 1.045 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015498 293290115 /nfs/dbraw/zinc/29/01/15/293290115.db2.gz MOXNZSSVVNXAIK-HLLBOEOZSA-N 1 3 326.485 1.175 20 0 EDADHO COc1ccc(C[C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c(C)c1OC ZINC000353531016 295137535 /nfs/dbraw/zinc/13/75/35/295137535.db2.gz NUUZLHYTZNEBBM-CQSZACIVSA-N 1 3 336.476 1.990 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000423897686 295241598 /nfs/dbraw/zinc/24/15/98/295241598.db2.gz OVYAYTGPPBMVKU-YJBOKZPZSA-N 1 3 331.460 1.948 20 0 EDADHO C[C@H]([NH3+])C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000420291754 304743743 /nfs/dbraw/zinc/74/37/43/304743743.db2.gz KRMLGZQEHUNAIY-YJBOKZPZSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000294915841 303154742 /nfs/dbraw/zinc/15/47/42/303154742.db2.gz AMMIAJCIVTXDLX-GFCCVEGCSA-N 1 3 325.403 1.996 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458381199 447336433 /nfs/dbraw/zinc/33/64/33/447336433.db2.gz IEBRQAWQRLMJQN-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000458381199 447336438 /nfs/dbraw/zinc/33/64/38/447336438.db2.gz IEBRQAWQRLMJQN-UHFFFAOYSA-N 1 3 341.544 1.434 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414880665 447340115 /nfs/dbraw/zinc/34/01/15/447340115.db2.gz QXALTWAYSHPQFX-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000414880665 447340120 /nfs/dbraw/zinc/34/01/20/447340120.db2.gz QXALTWAYSHPQFX-UHFFFAOYSA-N 1 3 332.448 1.119 20 0 EDADHO C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000414889351 447345179 /nfs/dbraw/zinc/34/51/79/447345179.db2.gz SMKOQQDVIXERBN-CQSZACIVSA-N 1 3 342.390 1.746 20 0 EDADHO C[C@H](CCCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000423111388 304886914 /nfs/dbraw/zinc/88/69/14/304886914.db2.gz WLSXAFLBHRQRHG-LLVKDONJSA-N 1 3 335.420 1.350 20 0 EDADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NCCCN2CC[NH2+]CC2)cc1 ZINC000423194337 304889079 /nfs/dbraw/zinc/88/90/79/304889079.db2.gz XTYXQKYYHYURPK-MRXNPFEDSA-N 1 3 339.505 1.042 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000423741070 304907229 /nfs/dbraw/zinc/90/72/29/304907229.db2.gz XTQQWWFHXKMPIP-INIZCTEOSA-N 1 3 342.447 1.194 20 0 EDADHO Cc1c(C(=O)NCCN2[C@H](C)CCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878669 305066672 /nfs/dbraw/zinc/06/66/72/305066672.db2.gz KAYXGRGJKUEPNN-ZIAGYGMSSA-N 1 3 348.495 1.504 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015216 305072861 /nfs/dbraw/zinc/07/28/61/305072861.db2.gz SNALIUHFXQNBAL-QZTJIDSGSA-N 1 3 338.540 1.818 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000431030340 305073067 /nfs/dbraw/zinc/07/30/67/305073067.db2.gz LXNGUQNCMPSZIX-MDZRGWNJSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000433870544 305114220 /nfs/dbraw/zinc/11/42/20/305114220.db2.gz RCEZBTCEOOECQZ-YOEHRIQHSA-N 1 3 339.505 1.755 20 0 EDADHO C[C@H]1NCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000434670618 305126890 /nfs/dbraw/zinc/12/68/90/305126890.db2.gz DAVGENBAWMFMOE-MSOLQXFVSA-N 1 3 344.503 1.798 20 0 EDADHO Cn1c(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000436061740 305151820 /nfs/dbraw/zinc/15/18/20/305151820.db2.gz IDIUXWCZEACUMG-OAHLLOKOSA-N 1 3 343.475 1.435 20 0 EDADHO Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443066466 305234296 /nfs/dbraw/zinc/23/42/96/305234296.db2.gz FEHREAXWWYDJAY-QGZVFWFLSA-N 1 3 333.476 1.859 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CCN(CC3CCOCC3)CC2)CCC1 ZINC000446621126 305268064 /nfs/dbraw/zinc/26/80/64/305268064.db2.gz UZJGOCFAPYYZAT-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458407526 447349351 /nfs/dbraw/zinc/34/93/51/447349351.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458407526 447349356 /nfs/dbraw/zinc/34/93/56/447349356.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000451590928 305355408 /nfs/dbraw/zinc/35/54/08/305355408.db2.gz MGCHISVOPDPZMT-SJORKVTESA-N 1 3 325.497 1.724 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000452365048 305393107 /nfs/dbraw/zinc/39/31/07/305393107.db2.gz NCOSHXDTBWBGLD-LJQANCHMSA-N 1 3 345.487 1.859 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](C)N(C)C)CC1 ZINC000455434811 305441484 /nfs/dbraw/zinc/44/14/84/305441484.db2.gz QVXYTTRZUZYIDJ-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000459899127 305528285 /nfs/dbraw/zinc/52/82/85/305528285.db2.gz HJQWMXPHBLFYDG-UHFFFAOYSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CC[NH2+]C1CC1 ZINC000521370356 305788923 /nfs/dbraw/zinc/78/89/23/305788923.db2.gz QWXKUAXBHWBQHD-UHFFFAOYSA-N 1 3 325.403 1.997 20 0 EDADHO CC(C)N(C(=O)CN1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530238381 305935396 /nfs/dbraw/zinc/93/53/96/305935396.db2.gz MZJVUNKAYDXWEG-KRWDZBQOSA-N 1 3 325.497 1.722 20 0 EDADHO CN(CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)[C@H]1CCSC1 ZINC000534306270 306005486 /nfs/dbraw/zinc/00/54/86/306005486.db2.gz NJFRJIACUYKBTQ-AWEZNQCLSA-N 1 3 349.504 1.209 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000549100682 306144542 /nfs/dbraw/zinc/14/45/42/306144542.db2.gz FOOQLQQUGGZKNX-UHFFFAOYSA-N 1 3 345.394 1.640 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccn(C)c3=O)CC2)CC1 ZINC000553461151 306185175 /nfs/dbraw/zinc/18/51/75/306185175.db2.gz JMTBLTZCAZVBMJ-UHFFFAOYSA-N 1 3 346.475 1.520 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCCN1CCO)C(C)C ZINC000458496184 447388879 /nfs/dbraw/zinc/38/88/79/447388879.db2.gz JKUVCHDNGSXXOZ-QGZVFWFLSA-N 1 3 342.528 1.641 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC(C)(C)CCC[NH+](C)C)CCSC1 ZINC000458511817 447395761 /nfs/dbraw/zinc/39/57/61/447395761.db2.gz NUTPOHRZHSSKHV-INIZCTEOSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000415393793 447414084 /nfs/dbraw/zinc/41/40/84/447414084.db2.gz ZSSKSLFGBKAQGX-ZDUSSCGKSA-N 1 3 332.448 1.273 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458588808 447423559 /nfs/dbraw/zinc/42/35/59/447423559.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458588808 447423565 /nfs/dbraw/zinc/42/35/65/447423565.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CCN(C(=O)C(=O)NCCC[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000419828436 447436412 /nfs/dbraw/zinc/43/64/12/447436412.db2.gz CVWGSHXHVFWLIL-RDJZCZTQSA-N 1 3 346.475 1.135 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073643870 441338093 /nfs/dbraw/zinc/33/80/93/441338093.db2.gz MAWYNLYAHXQUSB-KRWDZBQOSA-N 1 3 332.492 1.655 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000090178787 441625304 /nfs/dbraw/zinc/62/53/04/441625304.db2.gz PEQYMGWOUWIKIT-NCOADZHNSA-N 1 3 337.508 1.865 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000090178787 441625306 /nfs/dbraw/zinc/62/53/06/441625306.db2.gz PEQYMGWOUWIKIT-NCOADZHNSA-N 1 3 337.508 1.865 20 0 EDADHO O[C@@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(Cc2ccccc2)C1 ZINC000090913782 441645467 /nfs/dbraw/zinc/64/54/67/441645467.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 1 3 329.488 1.838 20 0 EDADHO O[C@@H]1C[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(Cc2ccccc2)C1 ZINC000090913782 441645470 /nfs/dbraw/zinc/64/54/70/441645470.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 1 3 329.488 1.838 20 0 EDADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCOCC1 ZINC000092821079 441828874 /nfs/dbraw/zinc/82/88/74/441828874.db2.gz IGSLAYHZRAJKOD-UHFFFAOYSA-N 1 3 346.475 1.479 20 0 EDADHO CC[N@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116763315 441840602 /nfs/dbraw/zinc/84/06/02/441840602.db2.gz UETFFAQSXVEIFW-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO CC[N@@H+](C)CCNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000116763315 441840609 /nfs/dbraw/zinc/84/06/09/441840609.db2.gz UETFFAQSXVEIFW-UHFFFAOYSA-N 1 3 332.492 1.657 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119522762 441939466 /nfs/dbraw/zinc/93/94/66/441939466.db2.gz YJZGKVXLSMWDHB-CQSZACIVSA-N 1 3 328.501 1.373 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N1CCN(C)CC1 ZINC000174603919 441942396 /nfs/dbraw/zinc/94/23/96/441942396.db2.gz IBTVIJSANOGADQ-MSOLQXFVSA-N 1 3 338.540 1.639 20 0 EDADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000125193804 441995115 /nfs/dbraw/zinc/99/51/15/441995115.db2.gz GOSNHTXVEJMYDC-HNNXBMFYSA-N 1 3 337.508 1.724 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000164580199 442199555 /nfs/dbraw/zinc/19/95/55/442199555.db2.gz BFJUUTIECOSHLX-LJQANCHMSA-N 1 3 345.487 1.913 20 0 EDADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000167414997 442221207 /nfs/dbraw/zinc/22/12/07/442221207.db2.gz VCDOBYRKPFTMQR-MSOLQXFVSA-N 1 3 345.487 1.777 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153506374 442286591 /nfs/dbraw/zinc/28/65/91/442286591.db2.gz ZWZKJIXJFJCULD-INIZCTEOSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153506374 442286593 /nfs/dbraw/zinc/28/65/93/442286593.db2.gz ZWZKJIXJFJCULD-INIZCTEOSA-N 1 3 340.512 1.349 20 0 EDADHO CCC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000153033064 442257409 /nfs/dbraw/zinc/25/74/09/442257409.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CCC[N@H+]1CCCN(C(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000153033064 442257411 /nfs/dbraw/zinc/25/74/11/442257411.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000130521776 442348557 /nfs/dbraw/zinc/34/85/57/442348557.db2.gz OHRTXTJMZHGKMJ-UHFFFAOYSA-N 1 3 346.475 1.066 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171788638 442381367 /nfs/dbraw/zinc/38/13/67/442381367.db2.gz GAOBXYUCJKCOIK-UHFFFAOYSA-N 1 3 347.507 1.849 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)C[C@H]2CSCCN2)c1 ZINC000133440249 442418290 /nfs/dbraw/zinc/41/82/90/442418290.db2.gz IFYOXABZSAKVAJ-HNNXBMFYSA-N 1 3 337.489 1.338 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000178873935 442509877 /nfs/dbraw/zinc/50/98/77/442509877.db2.gz BSMKHSFXOJJJJT-MRXNPFEDSA-N 1 3 332.492 1.296 20 0 EDADHO C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@H](N)c1ccccc1 ZINC000179854532 442512608 /nfs/dbraw/zinc/51/26/08/442512608.db2.gz BREOGXJYGUKCHK-FCEWJHQRSA-N 1 3 347.503 1.874 20 0 EDADHO CN(C/C=C/CN(C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180696426 442648982 /nfs/dbraw/zinc/64/89/82/442648982.db2.gz MLMDDGTZEBPTAR-BQYQJAHWSA-N 1 3 336.480 1.002 20 0 EDADHO CN(C/C=C/C[N@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180696426 442648984 /nfs/dbraw/zinc/64/89/84/442648984.db2.gz MLMDDGTZEBPTAR-BQYQJAHWSA-N 1 3 336.480 1.002 20 0 EDADHO CN(C/C=C/C[N@@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180696426 442648986 /nfs/dbraw/zinc/64/89/86/442648986.db2.gz MLMDDGTZEBPTAR-BQYQJAHWSA-N 1 3 336.480 1.002 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ncn1 ZINC000246497486 442786724 /nfs/dbraw/zinc/78/67/24/442786724.db2.gz SKLVSHHZLSPFBK-CAOSSQGBSA-N 1 3 332.496 1.805 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncn1 ZINC000246497486 442786725 /nfs/dbraw/zinc/78/67/25/442786725.db2.gz SKLVSHHZLSPFBK-CAOSSQGBSA-N 1 3 332.496 1.805 20 0 EDADHO C[N@H+]1C[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000193651959 442764151 /nfs/dbraw/zinc/76/41/51/442764151.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 1 3 327.428 1.556 20 0 EDADHO C[N@@H+]1C[C@H]2CN(CCCCN3C(=O)c4ccccc4C3=O)C[C@H]2C1 ZINC000193651959 442764152 /nfs/dbraw/zinc/76/41/52/442764152.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 1 3 327.428 1.556 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000268104136 442849747 /nfs/dbraw/zinc/84/97/47/442849747.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2CCCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000268104136 442849750 /nfs/dbraw/zinc/84/97/50/442849750.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccccn1)C[NH+]1CCCC1 ZINC000171547053 318434488 /nfs/dbraw/zinc/43/44/88/318434488.db2.gz IOLKYECGEFFMGM-KRWDZBQOSA-N 1 3 347.507 1.887 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3CC[N@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528086 443041131 /nfs/dbraw/zinc/04/11/31/443041131.db2.gz FBDFCCQEZIOYSW-NVXWUHKLSA-N 1 3 347.507 1.552 20 0 EDADHO CCn1ccnc(N2CCC(N[C@@H]3CC[N@@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528086 443041135 /nfs/dbraw/zinc/04/11/35/443041135.db2.gz FBDFCCQEZIOYSW-NVXWUHKLSA-N 1 3 347.507 1.552 20 0 EDADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268975837 443163255 /nfs/dbraw/zinc/16/32/55/443163255.db2.gz JEGUQQLOTXCLTP-CQSZACIVSA-N 1 3 335.448 1.459 20 0 EDADHO NC1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758329 443168251 /nfs/dbraw/zinc/16/82/51/443168251.db2.gz FQWSZKXVVZGKFF-KRWDZBQOSA-N 1 3 331.460 1.175 20 0 EDADHO NC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000261758329 443168253 /nfs/dbraw/zinc/16/82/53/443168253.db2.gz FQWSZKXVVZGKFF-KRWDZBQOSA-N 1 3 331.460 1.175 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649105 443197180 /nfs/dbraw/zinc/19/71/80/443197180.db2.gz FDXGCKHRLFYMIZ-RTBURBONSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649105 443197183 /nfs/dbraw/zinc/19/71/83/443197183.db2.gz FDXGCKHRLFYMIZ-RTBURBONSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000266649105 443197186 /nfs/dbraw/zinc/19/71/86/443197186.db2.gz FDXGCKHRLFYMIZ-RTBURBONSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266649105 443197190 /nfs/dbraw/zinc/19/71/90/443197190.db2.gz FDXGCKHRLFYMIZ-RTBURBONSA-N 1 3 340.471 1.917 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854028 443214647 /nfs/dbraw/zinc/21/46/47/443214647.db2.gz VRGGJPUIFBRGTQ-PMPSAXMXSA-N 1 3 333.480 1.658 20 0 EDADHO CCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126161 /nfs/dbraw/zinc/12/61/61/319126161.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 1 3 331.504 1.753 20 0 EDADHO CCN(C)C[C@H](O)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126163 /nfs/dbraw/zinc/12/61/63/319126163.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 1 3 331.504 1.753 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679922 319341002 /nfs/dbraw/zinc/34/10/02/319341002.db2.gz MFAOJJZAORYSEP-IAGOWNOFSA-N 1 3 327.476 1.840 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000414693546 319343182 /nfs/dbraw/zinc/34/31/82/319343182.db2.gz CCPHFAHPAWQWHK-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000414692978 319343342 /nfs/dbraw/zinc/34/33/42/319343342.db2.gz BCNGSIHRVYSPAE-AWEZNQCLSA-N 1 3 332.448 1.193 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000415082175 319345748 /nfs/dbraw/zinc/34/57/48/319345748.db2.gz OBNCSSFXJKGEIO-UHFFFAOYSA-N 1 3 334.464 1.391 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269267406 443258812 /nfs/dbraw/zinc/25/88/12/443258812.db2.gz ZWWCAWQBXMOGDY-OAHLLOKOSA-N 1 3 337.489 1.455 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1 ZINC000415218528 319352963 /nfs/dbraw/zinc/35/29/63/319352963.db2.gz LSGARALDCSAVJF-RHSMWYFYSA-N 1 3 344.459 1.430 20 0 EDADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415375005 319362242 /nfs/dbraw/zinc/36/22/42/319362242.db2.gz JPJITKAVDOMJKN-QGZVFWFLSA-N 1 3 344.459 1.479 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415741215 319369165 /nfs/dbraw/zinc/36/91/65/319369165.db2.gz KMWFGSMKAAIDHK-AWEZNQCLSA-N 1 3 334.464 1.629 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])ccc1CN(C)C ZINC000415746463 319369534 /nfs/dbraw/zinc/36/95/34/319369534.db2.gz VCBXRRIYABCZNO-CQSZACIVSA-N 1 3 334.464 1.629 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)CNCC3)CCCO1 ZINC000415891496 319382011 /nfs/dbraw/zinc/38/20/11/319382011.db2.gz GPGYHRSFGRNWRX-OAHLLOKOSA-N 1 3 346.475 1.955 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)CNCC3)CCCO1 ZINC000415891496 319382013 /nfs/dbraw/zinc/38/20/13/319382013.db2.gz GPGYHRSFGRNWRX-OAHLLOKOSA-N 1 3 346.475 1.955 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000416852264 319466460 /nfs/dbraw/zinc/46/64/60/319466460.db2.gz SEXIPSRLSUXAAE-ROUUACIJSA-N 1 3 332.492 1.976 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC)c1 ZINC000416919921 319474560 /nfs/dbraw/zinc/47/45/60/319474560.db2.gz KIZVHZAKIZJEQH-XWTMOSNGSA-N 1 3 346.475 1.595 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418674270 319510207 /nfs/dbraw/zinc/51/02/07/319510207.db2.gz QCIUVVMTBMPORN-VIKVFOODSA-N 1 3 338.402 1.256 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267290570 443407403 /nfs/dbraw/zinc/40/74/03/443407403.db2.gz XQOZQCIGWMWXMY-DFQSSKMNSA-N 1 3 347.503 1.495 20 0 EDADHO C[C@@H](CNCCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCCC1 ZINC000278840340 443457990 /nfs/dbraw/zinc/45/79/90/443457990.db2.gz JUBZAGZTCQPHEW-HNNXBMFYSA-N 1 3 329.444 1.994 20 0 EDADHO C[C@@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)CN1CCCCC1 ZINC000278840340 443457994 /nfs/dbraw/zinc/45/79/94/443457994.db2.gz JUBZAGZTCQPHEW-HNNXBMFYSA-N 1 3 329.444 1.994 20 0 EDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCn1cc(Br)ccc1=O ZINC000423142689 319753272 /nfs/dbraw/zinc/75/32/72/319753272.db2.gz BEZIRVTUYZAXBV-WCQYABFASA-N 1 3 328.254 1.589 20 0 EDADHO COc1cc([C@@H](C)NCCN2CC[NH2+]CC2)ccc1OC(F)F ZINC000423199031 319755807 /nfs/dbraw/zinc/75/58/07/319755807.db2.gz AFQZHFIKYDZDNY-GFCCVEGCSA-N 1 3 329.391 1.852 20 0 EDADHO CN(C)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423771648 319814595 /nfs/dbraw/zinc/81/45/95/319814595.db2.gz JRXBXXUVVKSPKO-CABCVRRESA-N 1 3 325.840 1.437 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000272367298 443604764 /nfs/dbraw/zinc/60/47/64/443604764.db2.gz ZZKCVXIDANEXOQ-IRXDYDNUSA-N 1 3 330.476 1.394 20 0 EDADHO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCCN1C1CCCC1 ZINC000450242575 320216347 /nfs/dbraw/zinc/21/63/47/320216347.db2.gz LRYKSZLWTKLDCL-ZWKOTPCHSA-N 1 3 337.508 1.747 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CCCCN1CCO)C[NH+]1CCCC1 ZINC000458697801 320338690 /nfs/dbraw/zinc/33/86/90/320338690.db2.gz NAXRHCAQNZBOLI-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000497060730 320417095 /nfs/dbraw/zinc/41/70/95/320417095.db2.gz CNGGJIURMZVKQU-ZDUSSCGKSA-N 1 3 327.473 1.261 20 0 EDADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCCCO ZINC000276469567 443717565 /nfs/dbraw/zinc/71/75/65/443717565.db2.gz YRHUUDZPQDQUIG-KRWDZBQOSA-N 1 3 347.503 1.860 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000288173823 443793282 /nfs/dbraw/zinc/79/32/82/443793282.db2.gz PSAYAWYWUHWXRS-HHXXYDBFSA-N 1 3 348.491 1.261 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000531357670 320656855 /nfs/dbraw/zinc/65/68/55/320656855.db2.gz UAPNSZLQUGHLFY-QUCCMNQESA-N 1 3 329.488 1.842 20 0 EDADHO CCC[C@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC000285426459 443980185 /nfs/dbraw/zinc/98/01/85/443980185.db2.gz DXLXSTRWPMIFOT-HKUYNNGSSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCC(=O)NC(N)=O ZINC000299297859 444009697 /nfs/dbraw/zinc/00/96/97/444009697.db2.gz MSGFOOCWLZAAKO-ZIAGYGMSSA-N 1 3 332.448 1.318 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N2CCCC2)cc1 ZINC000557140040 321000328 /nfs/dbraw/zinc/00/03/28/321000328.db2.gz YWWBPFZBRWAGTB-XDNAFOTISA-N 1 3 328.460 1.649 20 0 EDADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000560870736 321029283 /nfs/dbraw/zinc/02/92/83/321029283.db2.gz NLVFYJIYFHHWNB-UXHICEINSA-N 1 3 346.519 1.021 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000561128814 321034063 /nfs/dbraw/zinc/03/40/63/321034063.db2.gz QUDSKKFSVGUAFJ-LJQANCHMSA-N 1 3 346.475 1.522 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562820881 321079462 /nfs/dbraw/zinc/07/94/62/321079462.db2.gz NGRMOEPNUZYZRX-IXDOHACOSA-N 1 3 345.491 1.543 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000564823882 321150353 /nfs/dbraw/zinc/15/03/53/321150353.db2.gz MYFXFKZXFJZLDK-YAJHFMINSA-N 1 3 347.503 1.749 20 0 EDADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825451 321150480 /nfs/dbraw/zinc/15/04/80/321150480.db2.gz IJGKEKCUYOTPLG-OLMMMNRUSA-N 1 3 329.444 1.747 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000565039352 321165503 /nfs/dbraw/zinc/16/55/03/321165503.db2.gz YNRWFAXDNCVLDI-UHFFFAOYSA-N 1 3 344.503 1.929 20 0 EDADHO Cc1noc(C2CCC(NCc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)n1 ZINC000566103566 321215005 /nfs/dbraw/zinc/21/50/05/321215005.db2.gz AHCYDKSODILSQV-UHFFFAOYSA-N 1 3 345.451 1.779 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000568189409 321279662 /nfs/dbraw/zinc/27/96/62/321279662.db2.gz HIOFEOXGFMHGOS-BBWFWOEESA-N 1 3 347.507 1.922 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000568189409 321279663 /nfs/dbraw/zinc/27/96/63/321279663.db2.gz HIOFEOXGFMHGOS-BBWFWOEESA-N 1 3 347.507 1.922 20 0 EDADHO CC[NH2+]CCCNC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000568288226 321285982 /nfs/dbraw/zinc/28/59/82/321285982.db2.gz XSFLHVVMJWCWRY-SFHVURJKSA-N 1 3 332.492 1.944 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568406673 321290528 /nfs/dbraw/zinc/29/05/28/321290528.db2.gz YFINZOVEQZCKIH-UHFFFAOYSA-N 1 3 331.460 1.971 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098448 321318578 /nfs/dbraw/zinc/31/85/78/321318578.db2.gz GEVZDDKWUREOIT-JLJPHGGASA-N 1 3 344.459 1.320 20 0 EDADHO C[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028715 321334668 /nfs/dbraw/zinc/33/46/68/321334668.db2.gz KSJUXYVTUWDXGV-HKUYNNGSSA-N 1 3 330.476 1.950 20 0 EDADHO COC[C@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]C1 ZINC000574392069 321482266 /nfs/dbraw/zinc/48/22/66/321482266.db2.gz AZKSUOJLZLHQAZ-SFHVURJKSA-N 1 3 332.448 1.040 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)CN2CCOCC2)c1 ZINC000574684659 321495489 /nfs/dbraw/zinc/49/54/89/321495489.db2.gz QMLBCKGMURXBSO-IBGZPJMESA-N 1 3 335.492 1.311 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000305192549 444264163 /nfs/dbraw/zinc/26/41/63/444264163.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 1 3 345.487 1.396 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000305192549 444264164 /nfs/dbraw/zinc/26/41/64/444264164.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 1 3 345.487 1.396 20 0 EDADHO CSc1cc2c(cc1CNCCOCC[NH+](C)C)OCCO2 ZINC000318485854 444319892 /nfs/dbraw/zinc/31/98/92/444319892.db2.gz WDMPJKKTHATLDZ-UHFFFAOYSA-N 1 3 326.462 1.848 20 0 EDADHO COc1cc2c(cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@H](C)C2 ZINC000326992445 444379737 /nfs/dbraw/zinc/37/97/37/444379737.db2.gz BHILWMGNQZVGNQ-KGLIPLIRSA-N 1 3 347.459 1.306 20 0 EDADHO C[C@@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)N(C)C1CC1 ZINC000580171964 322017479 /nfs/dbraw/zinc/01/74/79/322017479.db2.gz HQTRMUSRFYVTRW-CYFGEWFFSA-N 1 3 334.508 1.922 20 0 EDADHO COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000580462070 322055069 /nfs/dbraw/zinc/05/50/69/322055069.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 1 3 349.519 1.520 20 0 EDADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000580462070 322055071 /nfs/dbraw/zinc/05/50/71/322055071.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 1 3 349.519 1.520 20 0 EDADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)COc1ccccc1Cl ZINC000581131629 322140141 /nfs/dbraw/zinc/14/01/41/322140141.db2.gz NKODLFKNOFGHHL-OAHLLOKOSA-N 1 3 342.867 1.516 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000581321928 322164454 /nfs/dbraw/zinc/16/44/54/322164454.db2.gz CWKJCLCXSZKZCE-INIZCTEOSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@@H+]1C ZINC000340863928 444549423 /nfs/dbraw/zinc/54/94/23/444549423.db2.gz WICPUYUSFZRHAN-NXHRZFHOSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[N@H+]1C ZINC000340863928 444549427 /nfs/dbraw/zinc/54/94/27/444549427.db2.gz WICPUYUSFZRHAN-NXHRZFHOSA-N 1 3 332.492 1.941 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000340949118 444591687 /nfs/dbraw/zinc/59/16/87/444591687.db2.gz CRCAVIURFBNEHT-DOTOQJQBSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000340949118 444591691 /nfs/dbraw/zinc/59/16/91/444591691.db2.gz CRCAVIURFBNEHT-DOTOQJQBSA-N 1 3 348.491 1.909 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCCN2C)CC1 ZINC000341016590 444633935 /nfs/dbraw/zinc/63/39/35/444633935.db2.gz NRGGBJCXSGGSBJ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000343987071 444711401 /nfs/dbraw/zinc/71/14/01/444711401.db2.gz SDFIJPYTYRHNCF-MJGOQNOKSA-N 1 3 331.508 1.524 20 0 EDADHO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000341188717 444718326 /nfs/dbraw/zinc/71/83/26/444718326.db2.gz YCMUGFDGFXXRGE-SJLPKXTDSA-N 1 3 348.491 1.143 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@@H+]1C ZINC000341367913 444797997 /nfs/dbraw/zinc/79/79/97/444797997.db2.gz GGNYPFFDNDGQHU-GOEBONIOSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2ccncc2OCCN(C)C)CC[N@H+]1C ZINC000341367913 444798000 /nfs/dbraw/zinc/79/80/00/444798000.db2.gz GGNYPFFDNDGQHU-GOEBONIOSA-N 1 3 349.479 1.304 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1(C)C ZINC000344138532 444802033 /nfs/dbraw/zinc/80/20/33/444802033.db2.gz NQFFWWSDAKGLMS-IAGOWNOFSA-N 1 3 327.513 1.170 20 0 EDADHO CC(C)(C)c1ncc(C[NH2+]CCCCN2CCN(CCO)CC2)cn1 ZINC000342724253 444835802 /nfs/dbraw/zinc/83/58/02/444835802.db2.gz GGVFGDMOQURGND-UHFFFAOYSA-N 1 3 349.523 1.254 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943329 444956228 /nfs/dbraw/zinc/95/62/28/444956228.db2.gz PUBMOPHWSKVHRV-NVXWUHKLSA-N 1 3 345.491 1.806 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092610 445057939 /nfs/dbraw/zinc/05/79/39/445057939.db2.gz CXFXADJJPBOIJA-MSOLQXFVSA-N 1 3 336.524 1.249 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000337426937 445075742 /nfs/dbraw/zinc/07/57/42/445075742.db2.gz XEAFUMMBOUJESJ-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429554 445221447 /nfs/dbraw/zinc/22/14/47/445221447.db2.gz CDSAUPHTIBXJTO-HZPDHXFCSA-N 1 3 329.400 1.236 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)N(C)C1 ZINC000347083835 445231313 /nfs/dbraw/zinc/23/13/13/445231313.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)N(C)C1 ZINC000347083835 445231314 /nfs/dbraw/zinc/23/13/14/445231314.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 1 3 326.485 1.221 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)N(C)C1 ZINC000348434595 445289327 /nfs/dbraw/zinc/28/93/27/445289327.db2.gz JZQGWDAFKYYQGL-GQGLESIBSA-N 1 3 338.496 1.364 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000362389139 445356386 /nfs/dbraw/zinc/35/63/86/445356386.db2.gz MOBBVJXPMWOOFB-UHFFFAOYSA-N 1 3 344.503 1.602 20 0 EDADHO CCN1CCN(c2ccccc2CN2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050309 445396085 /nfs/dbraw/zinc/39/60/85/445396085.db2.gz MEQTYIQEEYULTC-HKUYNNGSSA-N 1 3 328.504 1.870 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000359728724 445396214 /nfs/dbraw/zinc/39/62/14/445396214.db2.gz QGXQDKSMHSBWFZ-HNNXBMFYSA-N 1 3 349.479 1.115 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000359728724 445396215 /nfs/dbraw/zinc/39/62/15/445396215.db2.gz QGXQDKSMHSBWFZ-HNNXBMFYSA-N 1 3 349.479 1.115 20 0 EDADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000349007013 445474139 /nfs/dbraw/zinc/47/41/39/445474139.db2.gz UVWMYSHRKTUZJO-QGZVFWFLSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCOC1CNC1 ZINC000349007013 445474141 /nfs/dbraw/zinc/47/41/41/445474141.db2.gz UVWMYSHRKTUZJO-QGZVFWFLSA-N 1 3 331.460 1.345 20 0 EDADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000354959135 445436421 /nfs/dbraw/zinc/43/64/21/445436421.db2.gz NSUAKHGPRDGZPM-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000354959135 445436424 /nfs/dbraw/zinc/43/64/24/445436424.db2.gz NSUAKHGPRDGZPM-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360981 445456893 /nfs/dbraw/zinc/45/68/93/445456893.db2.gz HJKKCTSQYYUDJI-QZTJIDSGSA-N 1 3 331.460 1.683 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nn(C)c1OC ZINC000349071426 445493861 /nfs/dbraw/zinc/49/38/61/445493861.db2.gz GHHHPBNGGWADAN-MRXNPFEDSA-N 1 3 337.512 1.585 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(C)nn(C)c1OC ZINC000349071426 445493865 /nfs/dbraw/zinc/49/38/65/445493865.db2.gz GHHHPBNGGWADAN-MRXNPFEDSA-N 1 3 337.512 1.585 20 0 EDADHO C[C@H]1C(=O)CC[C@@H]1CC(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000355994515 445562261 /nfs/dbraw/zinc/56/22/61/445562261.db2.gz XFMAERSBVRHBKW-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000360164625 445605582 /nfs/dbraw/zinc/60/55/82/445605582.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000360164625 445605585 /nfs/dbraw/zinc/60/55/85/445605585.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 1 3 340.512 1.071 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353492966 445627670 /nfs/dbraw/zinc/62/76/70/445627670.db2.gz QREOWDNUBNZUDN-GUDVDZBRSA-N 1 3 343.519 1.796 20 0 EDADHO CN1CCN(c2ncccc2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353492966 445627674 /nfs/dbraw/zinc/62/76/74/445627674.db2.gz QREOWDNUBNZUDN-GUDVDZBRSA-N 1 3 343.519 1.796 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2CN(C)C)CC1 ZINC000362873802 445591812 /nfs/dbraw/zinc/59/18/12/445591812.db2.gz JCGATFQZVLGTHV-MRXNPFEDSA-N 1 3 347.503 1.913 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357922781 445593887 /nfs/dbraw/zinc/59/38/87/445593887.db2.gz RIVBUODWTUKLFV-CVEARBPZSA-N 1 3 327.517 1.040 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357922781 445593892 /nfs/dbraw/zinc/59/38/92/445593892.db2.gz RIVBUODWTUKLFV-CVEARBPZSA-N 1 3 327.517 1.040 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC[NH+](C)CC1 ZINC000357943160 445595264 /nfs/dbraw/zinc/59/52/64/445595264.db2.gz SIBQNPXNYBCXPZ-ZIAGYGMSSA-N 1 3 328.526 1.596 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363091340 445674005 /nfs/dbraw/zinc/67/40/05/445674005.db2.gz CARUGISSQPQOSZ-HZPDHXFCSA-N 1 3 347.459 1.220 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000353699642 445714426 /nfs/dbraw/zinc/71/44/26/445714426.db2.gz FUVNVULDEXBZAC-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358698504 445725361 /nfs/dbraw/zinc/72/53/61/445725361.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 1 3 326.485 1.007 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358698504 445725364 /nfs/dbraw/zinc/72/53/64/445725364.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)C[N@@H+]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000363272448 445749966 /nfs/dbraw/zinc/74/99/66/445749966.db2.gz DLGPLHHAKXPVNI-UHFFFAOYSA-N 1 3 336.484 1.640 20 0 EDADHO CC(C)C[N@H+]1CCCN(C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000363272448 445749969 /nfs/dbraw/zinc/74/99/69/445749969.db2.gz DLGPLHHAKXPVNI-UHFFFAOYSA-N 1 3 336.484 1.640 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358826714 445796043 /nfs/dbraw/zinc/79/60/43/445796043.db2.gz MJZFVBZLAVLQQV-HNNXBMFYSA-N 1 3 342.528 1.125 20 0 EDADHO [NH2+]=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000363432168 445800761 /nfs/dbraw/zinc/80/07/61/445800761.db2.gz FYKURMZFNQXDGA-GDBMZVCRSA-N 1 3 332.448 1.471 20 0 EDADHO C[C@@H]1CN(CCN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000363538123 445850507 /nfs/dbraw/zinc/85/05/07/445850507.db2.gz MOALGXYELXTDPY-BRSBDYLESA-N 1 3 325.497 1.186 20 0 EDADHO C[C@@H]1CN(CCN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000363538123 445850513 /nfs/dbraw/zinc/85/05/13/445850513.db2.gz MOALGXYELXTDPY-BRSBDYLESA-N 1 3 325.497 1.186 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000365952864 445924313 /nfs/dbraw/zinc/92/43/13/445924313.db2.gz USJXGQCUQRLIRD-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000365952864 445924317 /nfs/dbraw/zinc/92/43/17/445924317.db2.gz USJXGQCUQRLIRD-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000583439616 326073484 /nfs/dbraw/zinc/07/34/84/326073484.db2.gz BUYHPOQHSBMUGU-JQHSSLGASA-N 1 3 330.476 1.879 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000583932526 326168102 /nfs/dbraw/zinc/16/81/02/326168102.db2.gz UDZAWFCOQFAZAJ-CQSZACIVSA-N 1 3 331.460 1.400 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(CC3CCC4(CC3)OCCO4)CC2)C1 ZINC000365177714 446067279 /nfs/dbraw/zinc/06/72/79/446067279.db2.gz LWKLFLUQEUQJQS-SFHVURJKSA-N 1 3 337.508 1.632 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(CC3CCC4(CC3)OCCO4)CC2)C1 ZINC000365177714 446067285 /nfs/dbraw/zinc/06/72/85/446067285.db2.gz LWKLFLUQEUQJQS-SFHVURJKSA-N 1 3 337.508 1.632 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)N1CCCCC1 ZINC000351484053 446083907 /nfs/dbraw/zinc/08/39/07/446083907.db2.gz CDYVSJKPRWAOLL-QGZVFWFLSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCO)CC1)N1CCCCC1 ZINC000351484053 446083909 /nfs/dbraw/zinc/08/39/09/446083909.db2.gz CDYVSJKPRWAOLL-QGZVFWFLSA-N 1 3 325.497 1.412 20 0 EDADHO C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N(C)C1CC1 ZINC000359283190 446118316 /nfs/dbraw/zinc/11/83/16/446118316.db2.gz GYNHQNNBMMFCDS-CQSZACIVSA-N 1 3 326.485 1.221 20 0 EDADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359351016 446168049 /nfs/dbraw/zinc/16/80/49/446168049.db2.gz MACDPHRSQVUSBR-DLBZAZTESA-N 1 3 330.476 1.695 20 0 EDADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359351024 446168061 /nfs/dbraw/zinc/16/80/61/446168061.db2.gz MACDPHRSQVUSBR-SJORKVTESA-N 1 3 330.476 1.695 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N(C)CCN1CCCC1)C(C)C ZINC000359392920 446195610 /nfs/dbraw/zinc/19/56/10/446195610.db2.gz QLIHJLIUBFTRSA-UHFFFAOYSA-N 1 3 340.512 1.166 20 0 EDADHO CN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)[C@H]1CCCN(C)C1 ZINC000365574928 446259112 /nfs/dbraw/zinc/25/91/12/446259112.db2.gz XQNGLLHDGCQISD-KRWDZBQOSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCN1CCN(Cc2ccccc2)CC1 ZINC000359524062 446275230 /nfs/dbraw/zinc/27/52/30/446275230.db2.gz NVMXYTRJLKJXMM-UYAOXDASSA-N 1 3 330.520 1.734 20 0 EDADHO CN(C)CC[N@H+](C)CCCNC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000365662375 446291524 /nfs/dbraw/zinc/29/15/24/446291524.db2.gz NSTJYHAOPXIUTO-UHFFFAOYSA-N 1 3 346.519 1.085 20 0 EDADHO CN(C)CC[N@@H+](C)CCCNC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000365662375 446291527 /nfs/dbraw/zinc/29/15/27/446291527.db2.gz NSTJYHAOPXIUTO-UHFFFAOYSA-N 1 3 346.519 1.085 20 0 EDADHO CN(CCCNC(=O)C1(N(C)C)Cc2ccccc2C1)CC[NH+](C)C ZINC000365662375 446291529 /nfs/dbraw/zinc/29/15/29/446291529.db2.gz NSTJYHAOPXIUTO-UHFFFAOYSA-N 1 3 346.519 1.085 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000417523411 446361479 /nfs/dbraw/zinc/36/14/79/446361479.db2.gz HXAZZEMPMPDOEL-CRAIPNDOSA-N 1 3 348.491 1.467 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H](C)N(C)C2CC2)ccc1C[NH+](C)C ZINC000411235953 446434904 /nfs/dbraw/zinc/43/49/04/446434904.db2.gz BIONIUPUCWOHOB-CQSZACIVSA-N 1 3 346.475 1.594 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423137421 446435934 /nfs/dbraw/zinc/43/59/34/446435934.db2.gz WNKLKTPBCBHNHN-HOTGVXAUSA-N 1 3 340.512 1.009 20 0 EDADHO COc1ccc(C[C@](C)(O)CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423141505 446438408 /nfs/dbraw/zinc/43/84/08/446438408.db2.gz QLYQQYVKASMMJK-OGWOLHLISA-N 1 3 336.476 1.975 20 0 EDADHO COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC ZINC000423141505 446438416 /nfs/dbraw/zinc/43/84/16/446438416.db2.gz QLYQQYVKASMMJK-OGWOLHLISA-N 1 3 336.476 1.975 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418107097 446440889 /nfs/dbraw/zinc/44/08/89/446440889.db2.gz OKMLGUNXTVBOCJ-WPMGSTCASA-N 1 3 336.402 1.827 20 0 EDADHO CCCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000420281369 446448592 /nfs/dbraw/zinc/44/85/92/446448592.db2.gz ANXCFMZAYBHHOV-ROUUACIJSA-N 1 3 332.492 1.479 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417996970 446411621 /nfs/dbraw/zinc/41/16/21/446411621.db2.gz REHFIOKVVKNNGB-ZTFGCOKTSA-N 1 3 346.475 1.050 20 0 EDADHO C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418002393 446412138 /nfs/dbraw/zinc/41/21/38/446412138.db2.gz XRJSQLXIMCSSRK-MAUKXSAKSA-N 1 3 348.491 1.570 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019768 446417312 /nfs/dbraw/zinc/41/73/12/446417312.db2.gz YHELSMFCLIQYHS-OWLYRPNTSA-N 1 3 328.460 1.368 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418191165 446453761 /nfs/dbraw/zinc/45/37/61/446453761.db2.gz KKYGMACMSOVUKI-DZJNRPSUSA-N 1 3 328.460 1.510 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418333032 446504096 /nfs/dbraw/zinc/50/40/96/446504096.db2.gz URCIFJHYGAWHIY-DLBZAZTESA-N 1 3 331.464 1.249 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418360936 446513381 /nfs/dbraw/zinc/51/33/81/446513381.db2.gz KPSMIRDWNNOQQX-DOTOQJQBSA-N 1 3 339.528 1.219 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343115 446515697 /nfs/dbraw/zinc/51/56/97/446515697.db2.gz RCLIZTFWIANHPN-XLMAVXFVSA-N 1 3 343.471 1.946 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423528455 446562815 /nfs/dbraw/zinc/56/28/15/446562815.db2.gz WOVCTNWXIQMIHQ-YSTOQKLRSA-N 1 3 328.504 1.675 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423528455 446562821 /nfs/dbraw/zinc/56/28/21/446562821.db2.gz WOVCTNWXIQMIHQ-YSTOQKLRSA-N 1 3 328.504 1.675 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418368563 446517046 /nfs/dbraw/zinc/51/70/46/446517046.db2.gz MVNYEDJAWVOWGS-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423400991 446518129 /nfs/dbraw/zinc/51/81/29/446518129.db2.gz VOELKTKBDBSLBS-OAHLLOKOSA-N 1 3 325.497 1.770 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000423403912 446520248 /nfs/dbraw/zinc/52/02/48/446520248.db2.gz XKKPRCOKIWXILU-QFBILLFUSA-N 1 3 344.503 1.935 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418394985 446527836 /nfs/dbraw/zinc/52/78/36/446527836.db2.gz YFKNFBDHPFOVNP-IAGOWNOFSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420354705 446533159 /nfs/dbraw/zinc/53/31/59/446533159.db2.gz BIHRFRBFTKDLDA-LFEHRJTNSA-N 1 3 332.492 1.382 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000418591696 446606543 /nfs/dbraw/zinc/60/65/43/446606543.db2.gz NQRPZOUAFAEUMX-NJAFHUGGSA-N 1 3 348.491 1.167 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423755080 446685941 /nfs/dbraw/zinc/68/59/41/446685941.db2.gz DBYQCHMJUQQIQR-MRXNPFEDSA-N 1 3 339.480 1.811 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767227 446694826 /nfs/dbraw/zinc/69/48/26/446694826.db2.gz ABCJWHSWKOJRFI-HJZRJOMTSA-N 1 3 345.487 1.910 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000418780788 446698679 /nfs/dbraw/zinc/69/86/79/446698679.db2.gz CGFVWOZECRSSQJ-RDJZCZTQSA-N 1 3 348.491 1.896 20 0 EDADHO CC[C@]1(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)CCC[NH2+]1 ZINC000423786885 446699177 /nfs/dbraw/zinc/69/91/77/446699177.db2.gz BRGSCWPGKOMMJV-PKOBYXMFSA-N 1 3 330.476 1.894 20 0 EDADHO COCCNCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894606 446748276 /nfs/dbraw/zinc/74/82/76/446748276.db2.gz DZAFLQVEJARILV-AEFFLSMTSA-N 1 3 333.476 1.639 20 0 EDADHO COCCNCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423894606 446748280 /nfs/dbraw/zinc/74/82/80/446748280.db2.gz DZAFLQVEJARILV-AEFFLSMTSA-N 1 3 333.476 1.639 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000437859211 446767659 /nfs/dbraw/zinc/76/76/59/446767659.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 1 3 334.508 1.290 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000437859211 446767662 /nfs/dbraw/zinc/76/76/62/446767662.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 1 3 334.508 1.290 20 0 EDADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000454283621 446833547 /nfs/dbraw/zinc/83/35/47/446833547.db2.gz ZWWCZCHNVWYESY-QGZVFWFLSA-N 1 3 334.464 1.717 20 0 EDADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000454283621 446833553 /nfs/dbraw/zinc/83/35/53/446833553.db2.gz ZWWCZCHNVWYESY-QGZVFWFLSA-N 1 3 334.464 1.717 20 0 EDADHO COC1(C(C)NC(=O)NCC2CC[N@H+](CC(C)C)C2)CCOCC1 ZINC000420815550 446839660 /nfs/dbraw/zinc/83/96/60/446839660.db2.gz QYYJCSYVCGWECY-HZPDHXFCSA-N 1 3 341.496 1.848 20 0 EDADHO COC1(C(C)NC(=O)NCC2CC[N@@H+](CC(C)C)C2)CCOCC1 ZINC000420815550 446839664 /nfs/dbraw/zinc/83/96/64/446839664.db2.gz QYYJCSYVCGWECY-HZPDHXFCSA-N 1 3 341.496 1.848 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000441936143 446883108 /nfs/dbraw/zinc/88/31/08/446883108.db2.gz WZHVXBWUXIOHFX-UHFFFAOYSA-N 1 3 346.475 1.282 20 0 EDADHO CCN1CCN(C[C@@H](C)CNc2cc(C(C)C)nc(N(C)C)n2)CC1 ZINC000443457833 447054249 /nfs/dbraw/zinc/05/42/49/447054249.db2.gz WVUGEYLLNXLJPJ-INIZCTEOSA-N 1 3 348.539 2.352 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNc2cc(C(C)C)nc(N(C)C)n2)CC1 ZINC000443457833 447054251 /nfs/dbraw/zinc/05/42/51/447054251.db2.gz WVUGEYLLNXLJPJ-INIZCTEOSA-N 1 3 348.539 2.352 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N(C)C)n1C ZINC000425375759 447131914 /nfs/dbraw/zinc/13/19/14/447131914.db2.gz DIEMOEXAAPTGIE-INIZCTEOSA-N 1 3 336.528 1.334 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(N(C)C)n1C ZINC000425375759 447131917 /nfs/dbraw/zinc/13/19/17/447131917.db2.gz DIEMOEXAAPTGIE-INIZCTEOSA-N 1 3 336.528 1.334 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000377564666 447208449 /nfs/dbraw/zinc/20/84/49/447208449.db2.gz PMBVOCLFMZVAOK-MRXNPFEDSA-N 1 3 339.480 1.382 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000377564666 447208453 /nfs/dbraw/zinc/20/84/53/447208453.db2.gz PMBVOCLFMZVAOK-MRXNPFEDSA-N 1 3 339.480 1.382 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000377588470 447227449 /nfs/dbraw/zinc/22/74/49/447227449.db2.gz SLAWHTPBRFJXGX-HNNXBMFYSA-N 1 3 325.453 1.180 20 0 EDADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231257 /nfs/dbraw/zinc/23/12/57/447231257.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO CCN1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231261 /nfs/dbraw/zinc/23/12/61/447231261.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO CC[C@H](C(=O)N[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000413771132 447239217 /nfs/dbraw/zinc/23/92/17/447239217.db2.gz NWMNUAIDNIGZGP-RBSFLKMASA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)N(C)C ZINC000413771132 447239220 /nfs/dbraw/zinc/23/92/20/447239220.db2.gz NWMNUAIDNIGZGP-RBSFLKMASA-N 1 3 342.528 1.314 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1CN(C)C ZINC000415452977 447449433 /nfs/dbraw/zinc/44/94/33/447449433.db2.gz UINQHSUWWWGDMR-CZUORRHYSA-N 1 3 332.448 1.191 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000379647498 447454423 /nfs/dbraw/zinc/45/44/23/447454423.db2.gz KIGSTHPHEBPZCS-MISYRCLQSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@H](NC[C@@H](O)CN2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000379647498 447454432 /nfs/dbraw/zinc/45/44/32/447454432.db2.gz KIGSTHPHEBPZCS-MISYRCLQSA-N 1 3 347.503 1.322 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820135 447483218 /nfs/dbraw/zinc/48/32/18/447483218.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458820135 447483219 /nfs/dbraw/zinc/48/32/19/447483219.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 1 3 328.501 1.253 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000389881785 447487602 /nfs/dbraw/zinc/48/76/02/447487602.db2.gz OQOQRKUBTXTOEF-SUMDDJOVSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940324 447506383 /nfs/dbraw/zinc/50/63/83/447506383.db2.gz QFTFPAGUOUXYCK-QUCCMNQESA-N 1 3 345.487 1.783 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000427271261 447571355 /nfs/dbraw/zinc/57/13/55/447571355.db2.gz COQUNUJWFOECNP-IBGZPJMESA-N 1 3 344.503 1.440 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)C[NH+]1CCCCC1 ZINC000457903872 447666925 /nfs/dbraw/zinc/66/69/25/447666925.db2.gz GAMGHLYOPULICM-SJORKVTESA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457929461 447675600 /nfs/dbraw/zinc/67/56/00/447675600.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000457929461 447675609 /nfs/dbraw/zinc/67/56/09/447675609.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 1 3 340.512 1.253 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000420222519 447676488 /nfs/dbraw/zinc/67/64/88/447676488.db2.gz XKGRFRDYEMWPQH-FUNVUKJBSA-N 1 3 333.484 1.655 20 0 EDADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634404 447680841 /nfs/dbraw/zinc/68/08/41/447680841.db2.gz JOKLVJDGTVIWLL-VNHYZAJKSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1CN ZINC000422634404 447680846 /nfs/dbraw/zinc/68/08/46/447680846.db2.gz JOKLVJDGTVIWLL-VNHYZAJKSA-N 1 3 332.448 1.419 20 0 EDADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1CN ZINC000422634404 447680847 /nfs/dbraw/zinc/68/08/47/447680847.db2.gz JOKLVJDGTVIWLL-VNHYZAJKSA-N 1 3 332.448 1.419 20 0 EDADHO COc1cc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2CN)cc(OC)c1 ZINC000422833077 447763770 /nfs/dbraw/zinc/76/37/70/447763770.db2.gz YEPAOGOIBJIJAN-FCEWJHQRSA-N 1 3 336.476 1.962 20 0 EDADHO CN(c1ccccc1CN1CCC[C@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713257 447749631 /nfs/dbraw/zinc/74/96/31/447749631.db2.gz KSSKTEQOFHWZMA-HXUWFJFHSA-N 1 3 347.503 1.536 20 0 EDADHO C[C@H](NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786615 447750136 /nfs/dbraw/zinc/75/01/36/447750136.db2.gz KWCIKHXHOWQXSN-RYUDHWBXSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1CNC1 ZINC000422786615 447750141 /nfs/dbraw/zinc/75/01/41/447750141.db2.gz KWCIKHXHOWQXSN-RYUDHWBXSA-N 1 3 332.366 1.934 20 0 EDADHO CCOC(=O)C1([C@H](C)NCc2cccc(C(N)=O)c2)CC[NH2+]CC1 ZINC000422800314 447753609 /nfs/dbraw/zinc/75/36/09/447753609.db2.gz BESUMIPVQKYDGV-ZDUSSCGKSA-N 1 3 333.432 1.197 20 0 EDADHO CN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820107 447758355 /nfs/dbraw/zinc/75/83/55/447758355.db2.gz OXSXZMHQTHVWDV-CEXWTWQISA-N 1 3 343.519 1.844 20 0 EDADHO C[C@H]([NH2+]C[C@H](N)C1CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396039 447763023 /nfs/dbraw/zinc/76/30/23/447763023.db2.gz HFPCKVKSASJIEO-WBAXXEDZSA-N 1 3 347.459 1.739 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422851406 447769919 /nfs/dbraw/zinc/76/99/19/447769919.db2.gz FMCQCBPCKMIAIB-WFGGJUAMSA-N 1 3 325.403 1.885 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564155 447779917 /nfs/dbraw/zinc/77/99/17/447779917.db2.gz AUFUUEZFZIFEPM-QGZVFWFLSA-N 1 3 347.507 1.426 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H](C[NH3+])C1 ZINC000430930405 447787876 /nfs/dbraw/zinc/78/78/76/447787876.db2.gz ALIWYTQAWUZGMA-SJLPKXTDSA-N 1 3 344.503 1.436 20 0 EDADHO CC(C)(C)[C@H](O)C[C@H](CO)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101772 447805433 /nfs/dbraw/zinc/80/54/33/447805433.db2.gz JHOHOQYWYRIQNO-CAUGKJMWSA-N 1 3 348.487 1.990 20 0 EDADHO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CCCCN1 ZINC000423113949 447807931 /nfs/dbraw/zinc/80/79/31/447807931.db2.gz VALLVYCLUMXYHP-PYWTVGQWSA-N 1 3 336.524 1.580 20 0 EDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113949 447807933 /nfs/dbraw/zinc/80/79/33/447807933.db2.gz VALLVYCLUMXYHP-PYWTVGQWSA-N 1 3 336.524 1.580 20 0 EDADHO C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000496661378 447843147 /nfs/dbraw/zinc/84/31/47/447843147.db2.gz LVHPMAPGUZYHMM-SUMWQHHRSA-N 1 3 327.469 1.502 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911538 /nfs/dbraw/zinc/91/15/38/447911538.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911542 /nfs/dbraw/zinc/91/15/42/447911542.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948963 /nfs/dbraw/zinc/94/89/63/447948963.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948966 /nfs/dbraw/zinc/94/89/66/447948966.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 1 3 345.487 1.327 20 0 EDADHO CC[C@H](N)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497179155 447928011 /nfs/dbraw/zinc/92/80/11/447928011.db2.gz PEELLHUHQIQKEC-XIRDDKMYSA-N 1 3 335.448 1.739 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000524436039 447930728 /nfs/dbraw/zinc/93/07/28/447930728.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 1 3 330.476 1.002 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000524436039 447930730 /nfs/dbraw/zinc/93/07/30/447930730.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 1 3 330.476 1.002 20 0 EDADHO CCNc1nc(NC2CC[NH+](CC3CC3)CC2)nc(NC(C)(C)C)n1 ZINC000553291607 447985191 /nfs/dbraw/zinc/98/51/91/447985191.db2.gz BQVNKBKEDPOOJO-UHFFFAOYSA-N 1 3 347.511 1.644 20 0 EDADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000497244499 448000243 /nfs/dbraw/zinc/00/02/43/448000243.db2.gz PKPJKVFYZLXKCN-LSDHHAIUSA-N 1 3 329.485 1.800 20 0 EDADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220272 448002659 /nfs/dbraw/zinc/00/26/59/448002659.db2.gz KRBLISKZMHDDAN-HIFRSBDPSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220272 448002663 /nfs/dbraw/zinc/00/26/63/448002663.db2.gz KRBLISKZMHDDAN-HIFRSBDPSA-N 1 3 334.416 1.229 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2c(c1)OCO2 ZINC000576220272 448002667 /nfs/dbraw/zinc/00/26/67/448002667.db2.gz KRBLISKZMHDDAN-HIFRSBDPSA-N 1 3 334.416 1.229 20 0 EDADHO CC(C)CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CCN(C)CC1 ZINC000570451846 448017535 /nfs/dbraw/zinc/01/75/35/448017535.db2.gz BFCCKINLTQJUTM-AWEZNQCLSA-N 1 3 333.480 1.679 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@H]3CCOC3)CC2)CC1 ZINC000576647014 448105458 /nfs/dbraw/zinc/10/54/58/448105458.db2.gz OLERRMWNSFCESJ-RDJZCZTQSA-N 1 3 337.508 1.724 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NCCCCN1CCN(C)CC1 ZINC000527084059 448155660 /nfs/dbraw/zinc/15/56/60/448155660.db2.gz YOVRRRVDXVKUJD-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000576688025 448114140 /nfs/dbraw/zinc/11/41/40/448114140.db2.gz MRJBRQPCFJPABC-MAUKXSAKSA-N 1 3 330.476 1.948 20 0 EDADHO CO[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000576706813 448121488 /nfs/dbraw/zinc/12/14/88/448121488.db2.gz ALCSUABLZJTVQP-FGTMMUONSA-N 1 3 346.475 1.258 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000492107689 448181920 /nfs/dbraw/zinc/18/19/20/448181920.db2.gz ILTKNANMLCGCKW-ARJAWSKDSA-N 1 3 349.450 1.903 20 0 EDADHO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272366 448303007 /nfs/dbraw/zinc/30/30/07/448303007.db2.gz CALRFIHJUPSFHZ-CVEARBPZSA-N 1 3 339.480 1.239 20 0 EDADHO CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272366 448303010 /nfs/dbraw/zinc/30/30/10/448303010.db2.gz CALRFIHJUPSFHZ-CVEARBPZSA-N 1 3 339.480 1.239 20 0 EDADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283709 448474893 /nfs/dbraw/zinc/47/48/93/448474893.db2.gz CKLGYMNCWRIMLG-GOSISDBHSA-N 1 3 343.475 1.930 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cnccn3)CC2)CC1 ZINC000566804775 448563852 /nfs/dbraw/zinc/56/38/52/448563852.db2.gz BHBCJUTXYQSICR-UHFFFAOYSA-N 1 3 345.491 1.332 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513017 448565517 /nfs/dbraw/zinc/56/55/17/448565517.db2.gz IBNNHRITDYSFAU-SJORKVTESA-N 1 3 335.496 1.709 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513017 448565525 /nfs/dbraw/zinc/56/55/25/448565525.db2.gz IBNNHRITDYSFAU-SJORKVTESA-N 1 3 335.496 1.709 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340120 448604466 /nfs/dbraw/zinc/60/44/66/448604466.db2.gz JHVBXWBHTUIRLK-LJQANCHMSA-N 1 3 342.487 1.865 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730490 448618868 /nfs/dbraw/zinc/61/88/68/448618868.db2.gz GKXJVLMILCABGT-HOTGVXAUSA-N 1 3 339.528 1.090 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000518045399 448641825 /nfs/dbraw/zinc/64/18/25/448641825.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000518045399 448641830 /nfs/dbraw/zinc/64/18/30/448641830.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723893 448646127 /nfs/dbraw/zinc/64/61/27/448646127.db2.gz ZHXAQULVNHZFPP-OAHLLOKOSA-N 1 3 334.420 1.011 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2CSCCN2)CC1 ZINC000518179380 448652001 /nfs/dbraw/zinc/65/20/01/448652001.db2.gz ZJWAYMVCMQMPNU-AWEZNQCLSA-N 1 3 329.510 1.041 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000584775858 448626553 /nfs/dbraw/zinc/62/65/53/448626553.db2.gz UVSDVGJOBLOISU-YRXWBPOGSA-N 1 3 341.540 1.557 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCC(C)CC2)c1 ZINC000584782885 448631457 /nfs/dbraw/zinc/63/14/57/448631457.db2.gz VDHQSGCGUFZQLM-MSOLQXFVSA-N 1 3 336.476 1.417 20 0 EDADHO [NH3+]CC1(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCOCC1 ZINC000529291263 448809240 /nfs/dbraw/zinc/80/92/40/448809240.db2.gz ORLWQLANIJLTNK-QGZVFWFLSA-N 1 3 346.475 1.458 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296971 448812311 /nfs/dbraw/zinc/81/23/11/448812311.db2.gz HAXVPCYKEASXFU-NVXWUHKLSA-N 1 3 346.475 1.629 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780190 /nfs/dbraw/zinc/78/01/90/448780190.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 1 3 327.513 1.263 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780193 /nfs/dbraw/zinc/78/01/93/448780193.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 1 3 327.513 1.263 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](N)C3CCC3)nc2)CC1 ZINC000519776368 448842281 /nfs/dbraw/zinc/84/22/81/448842281.db2.gz RTVRZOKKLFRWKF-QGZVFWFLSA-N 1 3 331.464 1.678 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNCCC(=O)Nc2cc(C)on2)c1 ZINC000568383988 448864845 /nfs/dbraw/zinc/86/48/45/448864845.db2.gz RFVSDJZTYKWMQG-UHFFFAOYSA-N 1 3 330.432 2.553 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNCCC(=O)Nc2cc(C)on2)c1 ZINC000568383988 448864851 /nfs/dbraw/zinc/86/48/51/448864851.db2.gz RFVSDJZTYKWMQG-UHFFFAOYSA-N 1 3 330.432 2.553 20 0 EDADHO c1cc2c(cc1CN1CCN(CC[C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000579839094 448893321 /nfs/dbraw/zinc/89/33/21/448893321.db2.gz KWWGXFVIGWATOL-KRWDZBQOSA-N 1 3 345.487 1.965 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000588981890 448956447 /nfs/dbraw/zinc/95/64/47/448956447.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000588981890 448956449 /nfs/dbraw/zinc/95/64/49/448956449.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@]1(CO)CCCN1Cc1cncc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075647 448956861 /nfs/dbraw/zinc/95/68/61/448956861.db2.gz XJPQILUUCVCZNR-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO C[C@@]1(CO)CCCN1Cc1cncc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075647 448956869 /nfs/dbraw/zinc/95/68/69/448956869.db2.gz XJPQILUUCVCZNR-OALUTQOASA-N 1 3 333.476 1.775 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074161 449005899 /nfs/dbraw/zinc/00/58/99/449005899.db2.gz DIJWTPFRTWQVQT-QZTJIDSGSA-N 1 3 330.476 1.697 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592959752 449083353 /nfs/dbraw/zinc/08/33/53/449083353.db2.gz PQMDMZSDEUAORY-BMFZPTHFSA-N 1 3 331.464 1.418 20 0 EDADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227632 449088423 /nfs/dbraw/zinc/08/84/23/449088423.db2.gz UJPOSJUHEXPYQS-NMLBUPMWSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227632 449088427 /nfs/dbraw/zinc/08/84/27/449088427.db2.gz UJPOSJUHEXPYQS-NMLBUPMWSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227632 449088435 /nfs/dbraw/zinc/08/84/35/449088435.db2.gz UJPOSJUHEXPYQS-NMLBUPMWSA-N 1 3 329.488 1.865 20 0 EDADHO C[C@H]1CCCN(CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730816 449165849 /nfs/dbraw/zinc/16/58/49/449165849.db2.gz HLLAMUXFXKZCQD-QWRGUYRKSA-N 1 3 338.374 1.214 20 0 EDADHO C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCN ZINC000593730816 449165853 /nfs/dbraw/zinc/16/58/53/449165853.db2.gz HLLAMUXFXKZCQD-QWRGUYRKSA-N 1 3 338.374 1.214 20 0 EDADHO C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CCN ZINC000593730816 449165859 /nfs/dbraw/zinc/16/58/59/449165859.db2.gz HLLAMUXFXKZCQD-QWRGUYRKSA-N 1 3 338.374 1.214 20 0 EDADHO CS[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1N1CCCC1 ZINC000602136798 449374747 /nfs/dbraw/zinc/37/47/47/449374747.db2.gz UKHKQMFFWKAOCW-JKSUJKDBSA-N 1 3 337.533 1.901 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000617507103 449655137 /nfs/dbraw/zinc/65/51/37/449655137.db2.gz IEULRAJIVBUXFR-AWEZNQCLSA-N 1 3 345.443 1.795 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2c(=O)o1 ZINC000617507103 449655143 /nfs/dbraw/zinc/65/51/43/449655143.db2.gz IEULRAJIVBUXFR-AWEZNQCLSA-N 1 3 345.443 1.795 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000594940606 449814703 /nfs/dbraw/zinc/81/47/03/449814703.db2.gz PBXXODBRYGAZHK-NIKGAXFTSA-N 1 3 346.471 1.931 20 0 EDADHO CCN(C#N)CCN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000602776700 449800481 /nfs/dbraw/zinc/80/04/81/449800481.db2.gz AGWIGPTUVSFMJW-UHFFFAOYSA-N 1 3 335.540 1.917 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)CC1 ZINC000614964640 449897372 /nfs/dbraw/zinc/89/73/72/449897372.db2.gz TXAGMKWPTVFAEV-UHFFFAOYSA-N 1 3 349.519 1.966 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692689 449911311 /nfs/dbraw/zinc/91/13/11/449911311.db2.gz MZURXUXAVJEQNU-DOTOQJQBSA-N 1 3 340.512 1.469 20 0 EDADHO CCN(CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063708 450566232 /nfs/dbraw/zinc/56/62/32/450566232.db2.gz MYFPGCGRKQQFAM-AWEZNQCLSA-N 1 3 332.448 1.510 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623709880 450569549 /nfs/dbraw/zinc/56/95/49/450569549.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000623709880 450569550 /nfs/dbraw/zinc/56/95/50/450569550.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@H]21 ZINC000624116968 450712931 /nfs/dbraw/zinc/71/29/31/450712931.db2.gz CNWKGAIERSXXSP-FXUDXRNXSA-N 1 3 341.463 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@H]21 ZINC000624116968 450712935 /nfs/dbraw/zinc/71/29/35/450712935.db2.gz CNWKGAIERSXXSP-FXUDXRNXSA-N 1 3 341.463 1.165 20 0 EDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525288 450726444 /nfs/dbraw/zinc/72/64/44/450726444.db2.gz XIHICKNEPMTERR-WQVCFCJDSA-N 1 3 335.415 1.437 20 0 EDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830082 450802256 /nfs/dbraw/zinc/80/22/56/450802256.db2.gz IXOVCWBMPFYEBU-XHSDSOJGSA-N 1 3 333.480 1.424 20 0 EDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000631830082 450802260 /nfs/dbraw/zinc/80/22/60/450802260.db2.gz IXOVCWBMPFYEBU-XHSDSOJGSA-N 1 3 333.480 1.424 20 0 EDADHO CN(CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000629955166 450914809 /nfs/dbraw/zinc/91/48/09/450914809.db2.gz YUWPNACSGIIAGD-UHFFFAOYSA-N 1 3 345.491 1.194 20 0 EDADHO C[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)N(C)Cc1ccccc1 ZINC000626974471 451044456 /nfs/dbraw/zinc/04/44/56/451044456.db2.gz GZPJEJBEXAFQDW-OAHLLOKOSA-N 1 3 334.464 1.314 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000626922890 451006137 /nfs/dbraw/zinc/00/61/37/451006137.db2.gz HTKBJPRVTOHYJB-NVXWUHKLSA-N 1 3 332.448 1.493 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627008681 451072542 /nfs/dbraw/zinc/07/25/42/451072542.db2.gz DXXBJQJLIRZXCS-OAHLLOKOSA-N 1 3 334.464 1.314 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000627038812 451095229 /nfs/dbraw/zinc/09/52/29/451095229.db2.gz OJGPCJSWWDIDAI-SJLPKXTDSA-N 1 3 348.491 1.527 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982875 451051199 /nfs/dbraw/zinc/05/11/99/451051199.db2.gz VHTAIHPXAMFIQQ-HZSPNIEDSA-N 1 3 348.413 1.639 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114605 451131645 /nfs/dbraw/zinc/13/16/45/451131645.db2.gz HRLRXILKBGQISN-BRWVUGGUSA-N 1 3 334.439 1.665 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116807 451132839 /nfs/dbraw/zinc/13/28/39/451132839.db2.gz NNHUEBLNBMSIGR-IRXDYDNUSA-N 1 3 338.496 1.271 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](O)C(F)F)CC2)CC1 ZINC000634004046 451147341 /nfs/dbraw/zinc/14/73/41/451147341.db2.gz SKCWKQKLEWVSSF-OAHLLOKOSA-N 1 3 347.450 1.315 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627153446 451150435 /nfs/dbraw/zinc/15/04/35/451150435.db2.gz YFBURKLVKHCMEI-UHFFFAOYSA-N 1 3 348.491 1.576 20 0 EDADHO C[NH+](C)CC1(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000635785271 451239005 /nfs/dbraw/zinc/23/90/05/451239005.db2.gz JWDUBFLVMGDFJW-QGZVFWFLSA-N 1 3 331.460 1.211 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098455 451263518 /nfs/dbraw/zinc/26/35/18/451263518.db2.gz GCEOMVCJQGUXPW-KRWDZBQOSA-N 1 3 331.460 1.102 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120744 451290488 /nfs/dbraw/zinc/29/04/88/451290488.db2.gz CCQRQUXESXHWAN-RBUKOAKNSA-N 1 3 344.503 1.390 20 0 EDADHO CO[C@@]1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOC1 ZINC000638151528 451324025 /nfs/dbraw/zinc/32/40/25/451324025.db2.gz FJVMLNNTFXTURP-GOSISDBHSA-N 1 3 325.497 1.282 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928380 451372422 /nfs/dbraw/zinc/37/24/22/451372422.db2.gz FMYOPRZFZZAXOB-QRFRQXIXSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928380 451372426 /nfs/dbraw/zinc/37/24/26/451372426.db2.gz FMYOPRZFZZAXOB-QRFRQXIXSA-N 1 3 345.487 1.591 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)ccc2[nH]c1=O ZINC000638271018 451390585 /nfs/dbraw/zinc/39/05/85/451390585.db2.gz PYZNDSRYPZRWCH-OAHLLOKOSA-N 1 3 345.447 1.174 20 0 EDADHO CO[C@]1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCOC1 ZINC000638272680 451391693 /nfs/dbraw/zinc/39/16/93/451391693.db2.gz AOARHHUDNJTFTM-IBGZPJMESA-N 1 3 334.460 1.538 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638274430 451393178 /nfs/dbraw/zinc/39/31/78/451393178.db2.gz FVYTYWDIMCOXCK-VQIMIIECSA-N 1 3 346.519 1.634 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638360103 451459398 /nfs/dbraw/zinc/45/93/98/451459398.db2.gz OLALLDPTDMZNBH-UHFFFAOYSA-N 1 3 328.407 1.361 20 0 EDADHO O[C@@]1(CNCCOC[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704710 451481088 /nfs/dbraw/zinc/48/10/88/451481088.db2.gz OJJCTLLACSYSNK-RTBURBONSA-N 1 3 334.460 1.266 20 0 EDADHO O[C@@]1(CNCCOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704710 451481090 /nfs/dbraw/zinc/48/10/90/451481090.db2.gz OJJCTLLACSYSNK-RTBURBONSA-N 1 3 334.460 1.266 20 0 EDADHO C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000634710609 451489298 /nfs/dbraw/zinc/48/92/98/451489298.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 1 3 329.488 1.863 20 0 EDADHO CC(C)COC[C@H](O)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634719360 451499402 /nfs/dbraw/zinc/49/94/02/451499402.db2.gz SLKAULOCRIFDNP-RTBURBONSA-N 1 3 336.476 1.247 20 0 EDADHO CC(C)COC[C@H](O)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634719360 451499408 /nfs/dbraw/zinc/49/94/08/451499408.db2.gz SLKAULOCRIFDNP-RTBURBONSA-N 1 3 336.476 1.247 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000636786354 451507143 /nfs/dbraw/zinc/50/71/43/451507143.db2.gz PSOGWXRVACXRJY-MSOLQXFVSA-N 1 3 346.475 1.017 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000636786354 451507145 /nfs/dbraw/zinc/50/71/45/451507145.db2.gz PSOGWXRVACXRJY-MSOLQXFVSA-N 1 3 346.475 1.017 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N1CCCc2cccc(CN)c21 ZINC000638543102 451569935 /nfs/dbraw/zinc/56/99/35/451569935.db2.gz QDMOOJOYJIKDCD-UHFFFAOYSA-N 1 3 349.475 1.409 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N1CCCc2cccc(CN)c21 ZINC000638543102 451569941 /nfs/dbraw/zinc/56/99/41/451569941.db2.gz QDMOOJOYJIKDCD-UHFFFAOYSA-N 1 3 349.475 1.409 20 0 EDADHO CN(CCCNCc1ccncc1Br)CC[NH+](C)C ZINC000631179474 451628302 /nfs/dbraw/zinc/62/83/02/451628302.db2.gz DIKMLQCRNCGEFX-UHFFFAOYSA-N 1 3 329.286 1.817 20 0 EDADHO O=C1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCN1 ZINC000638717652 451664821 /nfs/dbraw/zinc/66/48/21/451664821.db2.gz AHCRTSXAISGUDP-KRWDZBQOSA-N 1 3 331.460 1.402 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638727645 451668030 /nfs/dbraw/zinc/66/80/30/451668030.db2.gz HMDQWEMHFCQHJT-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCN1CC[C@@H](O)C1)[NH+](C)C ZINC000637138551 451738495 /nfs/dbraw/zinc/73/84/95/451738495.db2.gz QLGAKEUYQLRYTD-JFIYKMOQSA-N 1 3 348.491 1.352 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000638974526 451744309 /nfs/dbraw/zinc/74/43/09/451744309.db2.gz AABCDDRLRJCCBM-SPYBWZPUSA-N 1 3 337.508 1.852 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020393 451753070 /nfs/dbraw/zinc/75/30/70/451753070.db2.gz FGVSGLPAGGALLS-OTWHNJEPSA-N 1 3 342.487 1.894 20 0 EDADHO Cn1cc(CCC[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)cn1 ZINC000639307732 451817960 /nfs/dbraw/zinc/81/79/60/451817960.db2.gz GIHRVXNCXBVUHX-IBGZPJMESA-N 1 3 328.460 1.709 20 0 EDADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)COC1CCOCC1 ZINC000644613271 451895763 /nfs/dbraw/zinc/89/57/63/451895763.db2.gz RKYBOUATMHBBHG-GOSISDBHSA-N 1 3 349.475 1.444 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210876 451907125 /nfs/dbraw/zinc/90/71/25/451907125.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210876 451907130 /nfs/dbraw/zinc/90/71/30/451907130.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 1 3 347.507 1.320 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310521 451987861 /nfs/dbraw/zinc/98/78/61/451987861.db2.gz QCZFWSBEAGSGGU-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO Cc1c(C(=O)NCc2ccc3c(c2)CNC3)nnn1C1CC[NH2+]CC1 ZINC000646990442 451991159 /nfs/dbraw/zinc/99/11/59/451991159.db2.gz HKIGNACDJVTCCH-UHFFFAOYSA-N 1 3 340.431 1.044 20 0 EDADHO CN(CC1CC[NH+](C)CC1)C(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000637669603 452010559 /nfs/dbraw/zinc/01/05/59/452010559.db2.gz PCHDBUDUUHQNMG-UHFFFAOYSA-N 1 3 348.495 1.955 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CNCCC1(F)F ZINC000649333726 452015133 /nfs/dbraw/zinc/01/51/33/452015133.db2.gz SDWXTVVZWDODLW-AWEZNQCLSA-N 1 3 345.434 1.383 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000649356259 452039409 /nfs/dbraw/zinc/03/94/09/452039409.db2.gz HYKFDCYSZVIMRH-SOLBZPMBSA-N 1 3 330.476 1.893 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649377082 452049989 /nfs/dbraw/zinc/04/99/89/452049989.db2.gz KRRCVUYMLCETHP-QGZVFWFLSA-N 1 3 346.475 1.383 20 0 EDADHO C[C@H](NC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094134 452056296 /nfs/dbraw/zinc/05/62/96/452056296.db2.gz BXVDVCOWAGVQKH-ZDUSSCGKSA-N 1 3 345.491 1.723 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCN([C@H]3CCCN(C)C3)CC2)cc1 ZINC000649414519 452075808 /nfs/dbraw/zinc/07/58/08/452075808.db2.gz FAEVRBNNUOGRFO-MOPGFXCFSA-N 1 3 346.519 1.449 20 0 EDADHO C[C@H](NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCCC[NH2+]1 ZINC000643474915 452241108 /nfs/dbraw/zinc/24/11/08/452241108.db2.gz MZFVOEXFVICVHE-HRCADAONSA-N 1 3 343.479 1.461 20 0 EDADHO CCN(CC)CC[C@H](CO)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000641770380 452244598 /nfs/dbraw/zinc/24/45/98/452244598.db2.gz PJYVSHYBYLHDTO-LJQANCHMSA-N 1 3 334.508 1.728 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC1CCN(Cc2ccccn2)CC1 ZINC000641770380 452244602 /nfs/dbraw/zinc/24/46/02/452244602.db2.gz PJYVSHYBYLHDTO-LJQANCHMSA-N 1 3 334.508 1.728 20 0 EDADHO CC[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)N1CCc2ccccc2C1 ZINC000659433880 452278414 /nfs/dbraw/zinc/27/84/14/452278414.db2.gz GZXNYZOFABOSIN-VDUSKEEQSA-N 1 3 342.487 1.875 20 0 EDADHO CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CCN(C)C1 ZINC000645343904 452321962 /nfs/dbraw/zinc/32/19/62/452321962.db2.gz SCJSPQIELZOBJR-HOCLYGCPSA-N 1 3 328.526 1.549 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661515327 452322589 /nfs/dbraw/zinc/32/25/89/452322589.db2.gz RBMRLDBLEOTHEE-HOTGVXAUSA-N 1 3 338.496 1.412 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661515327 452322595 /nfs/dbraw/zinc/32/25/95/452322595.db2.gz RBMRLDBLEOTHEE-HOTGVXAUSA-N 1 3 338.496 1.412 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652136485 452331889 /nfs/dbraw/zinc/33/18/89/452331889.db2.gz QBWCQCVHYCSKMZ-NSHGMRRFSA-N 1 3 344.503 1.930 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cc(-c2cccnc2)n[nH]1 ZINC000657572684 452342091 /nfs/dbraw/zinc/34/20/91/452342091.db2.gz BPTXFMAEYWOKGD-HNNXBMFYSA-N 1 3 330.480 1.833 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CC1 ZINC000659483635 452344945 /nfs/dbraw/zinc/34/49/45/452344945.db2.gz CGLMDYGDROQSGE-KZNAEPCWSA-N 1 3 348.466 1.978 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)C1CC1 ZINC000659483635 452344956 /nfs/dbraw/zinc/34/49/56/452344956.db2.gz CGLMDYGDROQSGE-KZNAEPCWSA-N 1 3 348.466 1.978 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000638062989 452357821 /nfs/dbraw/zinc/35/78/21/452357821.db2.gz KWOSWTSCSKVRJC-AEFFLSMTSA-N 1 3 335.448 1.010 20 0 EDADHO [NH3+]C1(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)CCCCCC1 ZINC000659505047 452368530 /nfs/dbraw/zinc/36/85/30/452368530.db2.gz GHQIJIPEYBVSTE-INIZCTEOSA-N 1 3 338.496 1.591 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638066337 452371373 /nfs/dbraw/zinc/37/13/73/452371373.db2.gz GSFSODWNQRKFFO-GOSISDBHSA-N 1 3 332.492 1.246 20 0 EDADHO CC[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)N1CCc2ccccc2C1 ZINC000638069596 452373105 /nfs/dbraw/zinc/37/31/05/452373105.db2.gz RBSJDHCVKGGYCD-ICSRJNTNSA-N 1 3 345.487 1.695 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659517089 452379921 /nfs/dbraw/zinc/37/99/21/452379921.db2.gz NAVNWIXKIWQBPA-QGZVFWFLSA-N 1 3 333.480 1.576 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659537597 452396118 /nfs/dbraw/zinc/39/61/18/452396118.db2.gz SWMDMRZYEVBFNZ-CRAIPNDOSA-N 1 3 345.491 1.591 20 0 EDADHO [NH3+]CC1(CCNC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)CC1 ZINC000659559050 452414949 /nfs/dbraw/zinc/41/49/49/452414949.db2.gz IAIQWAKPEFQXKM-QGZVFWFLSA-N 1 3 346.475 1.181 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659608051 452464540 /nfs/dbraw/zinc/46/45/40/452464540.db2.gz JSXNIONZAGDHAN-GOSISDBHSA-N 1 3 346.475 1.410 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610945 452468393 /nfs/dbraw/zinc/46/83/93/452468393.db2.gz LXNHZHGNWSHPPG-QPIRBTGLSA-N 1 3 342.487 1.697 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652313515 452488772 /nfs/dbraw/zinc/48/87/72/452488772.db2.gz YTTSHPUGROJESM-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504694 /nfs/dbraw/zinc/50/46/94/452504694.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504704 /nfs/dbraw/zinc/50/47/04/452504704.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655686290 452508767 /nfs/dbraw/zinc/50/87/67/452508767.db2.gz CBNPUXVWLXBMNP-GOSISDBHSA-N 1 3 338.540 1.245 20 0 EDADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347264 452522507 /nfs/dbraw/zinc/52/25/07/452522507.db2.gz XFIZOLKFJLSLHY-MWDXBVQZSA-N 1 3 325.497 1.900 20 0 EDADHO C[C@@H]1C[C@H]1c1noc(CC2CCN(CCN3CC[NH2+]CC3)CC2)n1 ZINC000652353266 452529810 /nfs/dbraw/zinc/52/98/10/452529810.db2.gz YLQZCYMQCXFCKN-GDBMZVCRSA-N 1 3 333.480 1.353 20 0 EDADHO COc1ccc([C@@H](CCO)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723824 452537886 /nfs/dbraw/zinc/53/78/86/452537886.db2.gz QATRKTNHTJKABU-PKOBYXMFSA-N 1 3 334.460 1.962 20 0 EDADHO CC(C)CN(C(=O)CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361562 452542444 /nfs/dbraw/zinc/54/24/44/452542444.db2.gz KGQGEACELYOKCH-CGTJXYLNSA-N 1 3 337.508 1.994 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688600 452566115 /nfs/dbraw/zinc/56/61/15/452566115.db2.gz CFNBKYOUQADIAK-OAHLLOKOSA-N 1 3 338.496 1.145 20 0 EDADHO COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000657881727 452588620 /nfs/dbraw/zinc/58/86/20/452588620.db2.gz YROGIARKRZVAMX-QZTJIDSGSA-N 1 3 339.524 1.576 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](N2CCCC2)C1 ZINC000645634859 452638250 /nfs/dbraw/zinc/63/82/50/452638250.db2.gz FLNVNFUGOTYTJB-DLBZAZTESA-N 1 3 331.464 1.508 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655907214 452664472 /nfs/dbraw/zinc/66/44/72/452664472.db2.gz DMXOKGVCMQDMOD-IRXDYDNUSA-N 1 3 329.448 1.866 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655907214 452664477 /nfs/dbraw/zinc/66/44/77/452664477.db2.gz DMXOKGVCMQDMOD-IRXDYDNUSA-N 1 3 329.448 1.866 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921581 452683803 /nfs/dbraw/zinc/68/38/03/452683803.db2.gz PBEJDRLRGNOBIT-WXHSDQCUSA-N 1 3 334.386 1.534 20 0 EDADHO NC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(F)(F)F ZINC000655921581 452683810 /nfs/dbraw/zinc/68/38/10/452683810.db2.gz PBEJDRLRGNOBIT-WXHSDQCUSA-N 1 3 334.386 1.534 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000655936237 452706263 /nfs/dbraw/zinc/70/62/63/452706263.db2.gz BAVCBOGCTMIWAK-ZDUSSCGKSA-N 1 3 325.403 1.684 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655959622 452741328 /nfs/dbraw/zinc/74/13/28/452741328.db2.gz VAVPFJKTOGWCRY-SJORKVTESA-N 1 3 344.459 1.478 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655959575 452741511 /nfs/dbraw/zinc/74/15/11/452741511.db2.gz UUFRTINCQNIFEY-IAGOWNOFSA-N 1 3 344.459 1.478 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138424 452746412 /nfs/dbraw/zinc/74/64/12/452746412.db2.gz NEBMKPLALFZGTB-MSOLQXFVSA-N 1 3 329.448 1.413 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000652580833 452756152 /nfs/dbraw/zinc/75/61/52/452756152.db2.gz CRQQXVNWKPDYIT-UHFFFAOYSA-N 1 3 330.436 1.486 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000645845792 452845322 /nfs/dbraw/zinc/84/53/22/452845322.db2.gz DPMKYKWTKOFZGO-HNNXBMFYSA-N 1 3 344.459 1.594 20 0 EDADHO COCCCN1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000645884269 452877715 /nfs/dbraw/zinc/87/77/15/452877715.db2.gz ZRZUZHLRJKNCQG-QGZVFWFLSA-N 1 3 349.479 1.038 20 0 EDADHO O[C@@H]1CC[N@@H+](C2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885634 /nfs/dbraw/zinc/88/56/34/452885634.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 1 3 329.488 1.792 20 0 EDADHO O[C@@H]1CC[N@H+](C2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885636 /nfs/dbraw/zinc/88/56/36/452885636.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 1 3 329.488 1.792 20 0 EDADHO CN(C)CCC[N@H+](C)CCNc1ccccc1S(=O)(=O)N(C)C ZINC000664245423 452923825 /nfs/dbraw/zinc/92/38/25/452923825.db2.gz PYZPSJKPPRICFC-UHFFFAOYSA-N 1 3 342.509 1.232 20 0 EDADHO CN(C)CCC[N@@H+](C)CCNc1ccccc1S(=O)(=O)N(C)C ZINC000664245423 452923829 /nfs/dbraw/zinc/92/38/29/452923829.db2.gz PYZPSJKPPRICFC-UHFFFAOYSA-N 1 3 342.509 1.232 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000658424234 452949272 /nfs/dbraw/zinc/94/92/72/452949272.db2.gz ZUUHAPBIMWLQFA-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201749 452956144 /nfs/dbraw/zinc/95/61/44/452956144.db2.gz YHYCEFGZVWSDPC-GVLSGGHMSA-N 1 3 325.497 1.231 20 0 EDADHO O=C(Nc1ccccc1)C1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662248631 452973646 /nfs/dbraw/zinc/97/36/46/452973646.db2.gz IFLJIMZBWOXUAG-QGZVFWFLSA-N 1 3 329.444 1.858 20 0 EDADHO CC(C)OCCOC[C@H](O)CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662254943 452984039 /nfs/dbraw/zinc/98/40/39/452984039.db2.gz VFFVNLKYRDTNEL-GOSISDBHSA-N 1 3 336.476 1.567 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666633516 453026205 /nfs/dbraw/zinc/02/62/05/453026205.db2.gz HCTLJBHYQYELAC-HNNXBMFYSA-N 1 3 346.475 1.855 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CN)c1 ZINC000666633516 453026212 /nfs/dbraw/zinc/02/62/12/453026212.db2.gz HCTLJBHYQYELAC-HNNXBMFYSA-N 1 3 346.475 1.855 20 0 EDADHO CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664369354 453038723 /nfs/dbraw/zinc/03/87/23/453038723.db2.gz QVEZQVAVDBHZPJ-UHFFFAOYSA-N 1 3 349.479 1.232 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654976 453041239 /nfs/dbraw/zinc/04/12/39/453041239.db2.gz WCXMNRKKSQPHJK-RTBURBONSA-N 1 3 345.487 1.517 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120166 453046448 /nfs/dbraw/zinc/04/64/48/453046448.db2.gz DRJJLXCONKSUIE-JFIYKMOQSA-N 1 3 336.524 1.378 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662332495 453051878 /nfs/dbraw/zinc/05/18/78/453051878.db2.gz QIIZZGRQGUVZEI-UONOGXRCSA-N 1 3 346.397 1.227 20 0 EDADHO CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)CCO1 ZINC000648488490 453108458 /nfs/dbraw/zinc/10/84/58/453108458.db2.gz XPRHGQNUEIDTRM-OTWHNJEPSA-N 1 3 347.503 1.823 20 0 EDADHO CC[NH2+]CCNC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662408844 453120392 /nfs/dbraw/zinc/12/03/92/453120392.db2.gz BIGHEWONTBHOBX-IBGZPJMESA-N 1 3 341.455 1.861 20 0 EDADHO O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCCN(C2CCCC2)CC1 ZINC000662467938 453178308 /nfs/dbraw/zinc/17/83/08/453178308.db2.gz HUFRPQZEKVWHAJ-CQSZACIVSA-N 1 3 331.464 1.577 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1noc(C2CC2)n1 ZINC000664550923 453187134 /nfs/dbraw/zinc/18/71/34/453187134.db2.gz JUJKBDNGLGQBGG-LBPRGKRZSA-N 1 3 338.456 1.018 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1noc(C2CC2)n1 ZINC000664550923 453187141 /nfs/dbraw/zinc/18/71/41/453187141.db2.gz JUJKBDNGLGQBGG-LBPRGKRZSA-N 1 3 338.456 1.018 20 0 EDADHO CC(C)N1CCN(C2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214272 453226543 /nfs/dbraw/zinc/22/65/43/453226543.db2.gz QWXNFUWGZASYDU-HOTGVXAUSA-N 1 3 339.528 1.312 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Cn1ccc2ccc(F)cc21 ZINC000648770493 453247119 /nfs/dbraw/zinc/24/71/19/453247119.db2.gz KHAUOACNSBYWAV-UHFFFAOYSA-N 1 3 334.439 1.732 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CCF)CC2)CC1 ZINC000655167827 453285975 /nfs/dbraw/zinc/28/59/75/453285975.db2.gz VPZHSHPKAWDHLB-OAHLLOKOSA-N 1 3 329.460 1.019 20 0 EDADHO COc1cccc([C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N2CCCC2)c1 ZINC000653105939 453287858 /nfs/dbraw/zinc/28/78/58/453287858.db2.gz NUAHXPUQEAFGLC-ROUUACIJSA-N 1 3 348.491 1.227 20 0 EDADHO COc1cccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N2CCCC2)c1 ZINC000653105940 453288252 /nfs/dbraw/zinc/28/82/52/453288252.db2.gz NUAHXPUQEAFGLC-ZWKOTPCHSA-N 1 3 348.491 1.227 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784831 453391758 /nfs/dbraw/zinc/39/17/58/453391758.db2.gz SXRMQJUMIKYZPL-QGZVFWFLSA-N 1 3 346.475 1.596 20 0 EDADHO C[C@@H](NC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000644395517 453399470 /nfs/dbraw/zinc/39/94/70/453399470.db2.gz KDQRKKGLKNHZKT-XBVQOTNRSA-N 1 3 338.496 1.004 20 0 EDADHO CC(C)(CNC(=O)[C@H]1CCO[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662679872 453400190 /nfs/dbraw/zinc/40/01/90/453400190.db2.gz QQYKJRZKMQVQMY-IRXDYDNUSA-N 1 3 331.460 1.303 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662708402 453432783 /nfs/dbraw/zinc/43/27/83/453432783.db2.gz MVYBAAJSKNUOQJ-HNNXBMFYSA-N 1 3 348.447 1.125 20 0 EDADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662753994 453490102 /nfs/dbraw/zinc/49/01/02/453490102.db2.gz AIBBMGFVMBGACS-XHSDSOJGSA-N 1 3 346.479 1.292 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000667239342 453502239 /nfs/dbraw/zinc/50/22/39/453502239.db2.gz MGJOEAMNZAHNCW-RCCFBDPRSA-N 1 3 348.466 1.599 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](N)CC(F)F)cc1F ZINC000662871060 453582238 /nfs/dbraw/zinc/58/22/38/453582238.db2.gz RWWFWCJABZYQJD-DRZSPHRISA-N 1 3 345.365 1.379 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1 ZINC000659018392 453582851 /nfs/dbraw/zinc/58/28/51/453582851.db2.gz FWVLLGLIVUZROD-UHFFFAOYSA-N 1 3 349.479 1.280 20 0 EDADHO COC1(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000662871999 453582943 /nfs/dbraw/zinc/58/29/43/453582943.db2.gz HJARHTWXNHICLS-GOSISDBHSA-N 1 3 345.487 1.530 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659035053 453591109 /nfs/dbraw/zinc/59/11/09/453591109.db2.gz TXFMEADDQMPGLH-QGZVFWFLSA-N 1 3 332.448 1.907 20 0 EDADHO C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853216 453609702 /nfs/dbraw/zinc/60/97/02/453609702.db2.gz SBIYBTZEZNPAHL-WMLDXEAASA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886710 453632142 /nfs/dbraw/zinc/63/21/42/453632142.db2.gz HAUWYCGVDYBWJK-KSSFIOAISA-N 1 3 334.508 1.890 20 0 EDADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[n-]3)CC2)C1 ZINC000665291155 453637714 /nfs/dbraw/zinc/63/77/14/453637714.db2.gz VPKKEIZHCNGMRL-BBRMVZONSA-N 1 3 333.480 1.774 20 0 EDADHO C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291404 453638228 /nfs/dbraw/zinc/63/82/28/453638228.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 1 3 341.459 1.784 20 0 EDADHO C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[n-]2)CC[N@H+]1Cc1ccccc1 ZINC000665291404 453638231 /nfs/dbraw/zinc/63/82/31/453638231.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 1 3 341.459 1.784 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003277 453643839 /nfs/dbraw/zinc/64/38/39/453643839.db2.gz LGCBJXYZTHKSPP-FRQCXROJSA-N 1 3 337.508 1.757 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1(C)C ZINC000663003277 453643843 /nfs/dbraw/zinc/64/38/43/453643843.db2.gz LGCBJXYZTHKSPP-FRQCXROJSA-N 1 3 337.508 1.757 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)COC2(C)CNC2)cc1 ZINC000659353732 453726001 /nfs/dbraw/zinc/72/60/01/453726001.db2.gz SOMWRULXLUHVGJ-IRXDYDNUSA-N 1 3 347.459 1.026 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000665552699 453744819 /nfs/dbraw/zinc/74/48/19/453744819.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000665552699 453744822 /nfs/dbraw/zinc/74/48/22/453744822.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661206655 453758317 /nfs/dbraw/zinc/75/83/17/453758317.db2.gz UJGZQRDVDFMFLJ-ZBFHGGJFSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661206655 453758320 /nfs/dbraw/zinc/75/83/20/453758320.db2.gz UJGZQRDVDFMFLJ-ZBFHGGJFSA-N 1 3 326.485 1.268 20 0 EDADHO CC(C)CN1CCO[C@H](C[NH2+]Cc2ccnn2-c2ccncc2)C1 ZINC000657292412 453758498 /nfs/dbraw/zinc/75/84/98/453758498.db2.gz KBWAFJKSVXMTEM-GOSISDBHSA-N 1 3 329.448 1.714 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC([NH+](C)C)CC3)n2)CC1 ZINC000683814390 486825339 /nfs/dbraw/zinc/82/53/39/486825339.db2.gz KRBPRJGLXCELDP-UHFFFAOYSA-N 1 3 334.468 1.708 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000680914554 486891916 /nfs/dbraw/zinc/89/19/16/486891916.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000680914554 486891921 /nfs/dbraw/zinc/89/19/21/486891921.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO Cc1ccn([C@@H](C)CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000667641162 486894136 /nfs/dbraw/zinc/89/41/36/486894136.db2.gz JTUMRKKCIMSHIB-INIZCTEOSA-N 1 3 347.507 1.817 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000684130659 486955160 /nfs/dbraw/zinc/95/51/60/486955160.db2.gz UMKSSECNHKJHCQ-UHFFFAOYSA-N 1 3 347.463 1.380 20 0 EDADHO CN(CCCC[NH+](C)C)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000673841374 487130855 /nfs/dbraw/zinc/13/08/55/487130855.db2.gz UVOVBJQPCCEGMR-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000674329768 487238620 /nfs/dbraw/zinc/23/86/20/487238620.db2.gz NOMXMVPISPUGSB-MRXNPFEDSA-N 1 3 342.528 1.763 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669513903 485478095 /nfs/dbraw/zinc/47/80/95/485478095.db2.gz PMDIZJQHXWKLEQ-MRXNPFEDSA-N 1 3 326.485 1.317 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCO1 ZINC000669545915 485533882 /nfs/dbraw/zinc/53/38/82/485533882.db2.gz YIKPMJQTKYCSHB-ORQFMDKSSA-N 1 3 332.448 1.189 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCNCC1 ZINC000669420564 486140679 /nfs/dbraw/zinc/14/06/79/486140679.db2.gz QFPXXTGGAMBRGJ-GOSISDBHSA-N 1 3 330.476 1.904 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCNCC1 ZINC000669420564 486140684 /nfs/dbraw/zinc/14/06/84/486140684.db2.gz QFPXXTGGAMBRGJ-GOSISDBHSA-N 1 3 330.476 1.904 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117565 491171433 /nfs/dbraw/zinc/17/14/33/491171433.db2.gz LYZWLBSNCINZEA-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117565 491171437 /nfs/dbraw/zinc/17/14/37/491171437.db2.gz LYZWLBSNCINZEA-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccn1 ZINC000417942406 517904166 /nfs/dbraw/zinc/90/41/66/517904166.db2.gz BRSVZABHUYERIU-INIZCTEOSA-N 1 3 347.463 1.058 20 0 EDADHO CC(C)N(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000249040467 535002054 /nfs/dbraw/zinc/00/20/54/535002054.db2.gz GOSZMFWYXQDSCM-XJKSGUPXSA-N 1 3 325.403 1.867 20 0 EDADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCN(C)CC1 ZINC000298286804 535191488 /nfs/dbraw/zinc/19/14/88/535191488.db2.gz HBCYUEDFQLHKOH-HXUWFJFHSA-N 1 3 345.535 1.912 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNCc2ncc(CN(C)C)s2)CC1 ZINC000352812802 535708930 /nfs/dbraw/zinc/70/89/30/535708930.db2.gz IIXLOTIISIHXOL-HNNXBMFYSA-N 1 3 339.553 1.568 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343254829 535719008 /nfs/dbraw/zinc/71/90/08/535719008.db2.gz USWWILKQEVANQK-NCXUSEDFSA-N 1 3 338.540 1.007 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261987432 536018282 /nfs/dbraw/zinc/01/82/82/536018282.db2.gz DMAOYDIMUAONTN-XYPWUTKMSA-N 1 3 337.489 1.652 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)N(C)C1 ZINC000345966762 536779137 /nfs/dbraw/zinc/77/91/37/536779137.db2.gz BWEDFSHXOXDSAN-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO COc1cccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050801678 537102678 /nfs/dbraw/zinc/10/26/78/537102678.db2.gz NSIYUVNSABORBT-UHFFFAOYSA-N 1 3 345.487 1.913 20 0 EDADHO CC[NH+](CC)CCCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734265124 578805384 /nfs/dbraw/zinc/80/53/84/578805384.db2.gz MSFZTAQJLLKFLL-QGZVFWFLSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000749491665 579728522 /nfs/dbraw/zinc/72/85/22/579728522.db2.gz WWWOXTFNYOMNCC-PMPSAXMXSA-N 1 3 341.496 1.821 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000749491665 579728523 /nfs/dbraw/zinc/72/85/23/579728523.db2.gz WWWOXTFNYOMNCC-PMPSAXMXSA-N 1 3 341.496 1.821 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011845 579791205 /nfs/dbraw/zinc/79/12/05/579791205.db2.gz PLVCHSFVRWUEED-CVEARBPZSA-N 1 3 342.553 1.388 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011845 579791207 /nfs/dbraw/zinc/79/12/07/579791207.db2.gz PLVCHSFVRWUEED-CVEARBPZSA-N 1 3 342.553 1.388 20 0 EDADHO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000764073550 580112722 /nfs/dbraw/zinc/11/27/22/580112722.db2.gz KTZNGPYJZXUPBH-GOSISDBHSA-N 1 3 330.476 1.097 20 0 EDADHO CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCCN(C)C1 ZINC000891816124 590634035 /nfs/dbraw/zinc/63/40/35/590634035.db2.gz NVGXYRJLYUQNPS-QGZVFWFLSA-N 1 3 348.491 1.863 20 0 EDADHO C[C@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCN1Cc1ccccc1 ZINC000891819647 590637642 /nfs/dbraw/zinc/63/76/42/590637642.db2.gz HDVTZBAUNYRWNQ-JENIJYKNSA-N 1 3 328.460 1.797 20 0 EDADHO CN(CCCCCC[NH3+])C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000891881491 590668051 /nfs/dbraw/zinc/66/80/51/590668051.db2.gz XNDFMJFNNGLCHY-UHFFFAOYSA-N 1 3 327.517 1.173 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749869 /nfs/dbraw/zinc/74/98/69/590749869.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749874 /nfs/dbraw/zinc/74/98/74/590749874.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 1 3 342.487 1.854 20 0 EDADHO COCCNCCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892055940 590775849 /nfs/dbraw/zinc/77/58/49/590775849.db2.gz NOMFBRFZCROKQN-RDJZCZTQSA-N 1 3 340.512 1.552 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892082212 590789324 /nfs/dbraw/zinc/78/93/24/590789324.db2.gz XELKIJASOFFCSR-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CNC3)C[C@@H]1C(F)(F)F ZINC000892086017 590790239 /nfs/dbraw/zinc/79/02/39/590790239.db2.gz FYQGXFFHIFBOSZ-KGLIPLIRSA-N 1 3 342.365 1.568 20 0 EDADHO CC1(C)CC[C@H](CNC(=O)NC[C@@H]2NCCc3ccccc32)[NH2+]C1 ZINC000892118257 590809295 /nfs/dbraw/zinc/80/92/95/590809295.db2.gz DDYHKMVZSXXNDH-WBVHZDCISA-N 1 3 330.476 1.951 20 0 EDADHO Cc1cc(N)nc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000892293032 590919981 /nfs/dbraw/zinc/91/99/81/590919981.db2.gz LSIPQUANPHZZLU-UHFFFAOYSA-N 1 3 328.420 1.271 20 0 EDADHO CN1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000892323168 590945273 /nfs/dbraw/zinc/94/52/73/590945273.db2.gz CSWYDAIOPYKBKJ-UHFFFAOYSA-N 1 3 330.476 1.958 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CCN1C ZINC000892343936 590971883 /nfs/dbraw/zinc/97/18/83/590971883.db2.gz XJACEELBZKELBE-WMLDXEAASA-N 1 3 330.476 1.956 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389380 591006483 /nfs/dbraw/zinc/00/64/83/591006483.db2.gz MZXNPAZZDCBOGU-AWEZNQCLSA-N 1 3 326.485 1.175 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892480012 591042190 /nfs/dbraw/zinc/04/21/90/591042190.db2.gz XEQDETRICZWSCZ-CALCHBBNSA-N 1 3 346.475 1.330 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892480012 591042193 /nfs/dbraw/zinc/04/21/93/591042193.db2.gz XEQDETRICZWSCZ-CALCHBBNSA-N 1 3 346.475 1.330 20 0 EDADHO CC[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000891346567 591052635 /nfs/dbraw/zinc/05/26/35/591052635.db2.gz CRAQBOVGNJBTBQ-ZTFGCOKTSA-N 1 3 330.476 1.860 20 0 EDADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448569 591075554 /nfs/dbraw/zinc/07/55/54/591075554.db2.gz RBGPXBCXXXYICU-KSZLIROESA-N 1 3 328.460 1.797 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1 ZINC000891541395 591114574 /nfs/dbraw/zinc/11/45/74/591114574.db2.gz JUJYEMYJOUOUMF-CALCHBBNSA-N 1 3 346.475 1.698 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542794 591115122 /nfs/dbraw/zinc/11/51/22/591115122.db2.gz LLOTYDKDFAGHEY-KSZLIROESA-N 1 3 328.460 1.464 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542794 591115124 /nfs/dbraw/zinc/11/51/24/591115124.db2.gz LLOTYDKDFAGHEY-KSZLIROESA-N 1 3 328.460 1.464 20 0 EDADHO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891543050 591116337 /nfs/dbraw/zinc/11/63/37/591116337.db2.gz MODSMWWFFWPZSZ-KSZLIROESA-N 1 3 328.460 1.606 20 0 EDADHO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891543050 591116338 /nfs/dbraw/zinc/11/63/38/591116338.db2.gz MODSMWWFFWPZSZ-KSZLIROESA-N 1 3 328.460 1.606 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540180 591116755 /nfs/dbraw/zinc/11/67/55/591116755.db2.gz MEEGQRCWGFNOBZ-JHJVBQTASA-N 1 3 336.402 1.639 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891634622 591160105 /nfs/dbraw/zinc/16/01/05/591160105.db2.gz PGEHYTNUUHBKOR-IAGOWNOFSA-N 1 3 338.496 1.412 20 0 EDADHO CC(C)([NH3+])CCNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000891648760 591167069 /nfs/dbraw/zinc/16/70/69/591167069.db2.gz ZGJLMDYSDNCNBB-UHFFFAOYSA-N 1 3 348.491 1.570 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768900 591168130 /nfs/dbraw/zinc/16/81/30/591168130.db2.gz MDEHUDIPAQAZIX-HNNXBMFYSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CN1C1CC1 ZINC000891661537 591173365 /nfs/dbraw/zinc/17/33/65/591173365.db2.gz RSLLQBJSFPHFBB-YCPHGPKFSA-N 1 3 336.480 1.070 20 0 EDADHO CN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892797615 591181166 /nfs/dbraw/zinc/18/11/66/591181166.db2.gz QENAMQRNIJFMJT-KAKFPZCNSA-N 1 3 342.487 1.968 20 0 EDADHO CN(C(=O)NC[C@H]1Cc2ccccc2CN1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892797615 591181170 /nfs/dbraw/zinc/18/11/70/591181170.db2.gz QENAMQRNIJFMJT-KAKFPZCNSA-N 1 3 342.487 1.968 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)N1CCN(C)CC1 ZINC000891753103 591211439 /nfs/dbraw/zinc/21/14/39/591211439.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H]1C)N1CCN(C)CC1 ZINC000891753103 591211440 /nfs/dbraw/zinc/21/14/40/591211440.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 1 3 339.528 1.042 20 0 EDADHO COC(=O)c1sccc1CNCC1CC[NH+](CCN(C)C)CC1 ZINC000892938523 591230944 /nfs/dbraw/zinc/23/09/44/591230944.db2.gz PBWIDEBLBZZMOP-UHFFFAOYSA-N 1 3 339.505 1.898 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC12CCCC2 ZINC000895666678 591246517 /nfs/dbraw/zinc/24/65/17/591246517.db2.gz QMWVDXNJTSJDLI-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC12CCCC2 ZINC000895666678 591246519 /nfs/dbraw/zinc/24/65/19/591246519.db2.gz QMWVDXNJTSJDLI-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000894750941 591407379 /nfs/dbraw/zinc/40/73/79/591407379.db2.gz NTCAQVVEFHZZLI-DZJNRPSUSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000894750941 591407380 /nfs/dbraw/zinc/40/73/80/591407380.db2.gz NTCAQVVEFHZZLI-DZJNRPSUSA-N 1 3 330.476 1.881 20 0 EDADHO Cc1[nH]nc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1C ZINC000894763579 591413844 /nfs/dbraw/zinc/41/38/44/591413844.db2.gz MWFVRUXZAAJQJP-UHFFFAOYSA-N 1 3 347.507 1.841 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)NCCN2CCC(C)(C)C2)CCO1 ZINC000898588313 591418743 /nfs/dbraw/zinc/41/87/43/591418743.db2.gz FPLSKCYQVWMSDS-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000897454075 591459435 /nfs/dbraw/zinc/45/94/35/591459435.db2.gz ACTFOLQVVRSLTB-CRAIPNDOSA-N 1 3 348.491 1.939 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000897454075 591459439 /nfs/dbraw/zinc/45/94/39/591459439.db2.gz ACTFOLQVVRSLTB-CRAIPNDOSA-N 1 3 348.491 1.939 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459695 /nfs/dbraw/zinc/45/96/95/591459695.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459697 /nfs/dbraw/zinc/45/96/97/591459697.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 1 3 338.496 1.223 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725536 591636449 /nfs/dbraw/zinc/63/64/49/591636449.db2.gz VREWWGHJOMKCRC-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CO)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725536 591636452 /nfs/dbraw/zinc/63/64/52/591636452.db2.gz VREWWGHJOMKCRC-FHWLQOOXSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000900045115 591882053 /nfs/dbraw/zinc/88/20/53/591882053.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 1 3 345.487 1.568 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CCCN(Cc3ccccc3)CC2)C1 ZINC000900045115 591882056 /nfs/dbraw/zinc/88/20/56/591882056.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 1 3 345.487 1.568 20 0 EDADHO CCOC(=O)N1C[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@@H](CO)C1 ZINC000898355888 591887365 /nfs/dbraw/zinc/88/73/65/591887365.db2.gz FEDWIHYFWOKCOI-HIFRSBDPSA-N 1 3 327.469 1.288 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157791 591920162 /nfs/dbraw/zinc/92/01/62/591920162.db2.gz ITRRBDFKRVFDOG-HXUWFJFHSA-N 1 3 345.487 1.745 20 0 EDADHO C[NH+]1CCC2(CCN2C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000899910121 591979693 /nfs/dbraw/zinc/97/96/93/591979693.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 1 3 329.488 1.794 20 0 EDADHO CC(C)(C[NH2+][C@@H]1CCNCC(C)(C)C1)[C@@H]1COCC12OCCO2 ZINC000902390861 591990011 /nfs/dbraw/zinc/99/00/11/591990011.db2.gz PWKMQCQOIVBYBA-CABCVRRESA-N 1 3 326.481 1.770 20 0 EDADHO CCc1ccc(NC(=O)CONC(=N)[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000902811088 592068670 /nfs/dbraw/zinc/06/86/70/592068670.db2.gz JNFXBXGXYJYELS-JKSUJKDBSA-N 1 3 346.431 1.549 20 0 EDADHO CCc1ccc(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000902811088 592068673 /nfs/dbraw/zinc/06/86/73/592068673.db2.gz JNFXBXGXYJYELS-JKSUJKDBSA-N 1 3 346.431 1.549 20 0 EDADHO CCc1ccc(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000902811088 592068676 /nfs/dbraw/zinc/06/86/76/592068676.db2.gz JNFXBXGXYJYELS-JKSUJKDBSA-N 1 3 346.431 1.549 20 0 EDADHO CN(C(=O)C[C@]1(O)CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656620 592082983 /nfs/dbraw/zinc/08/29/83/592082983.db2.gz MHJZGHSERYSHSD-LJQANCHMSA-N 1 3 349.475 1.437 20 0 EDADHO CC[N@H+](CCNC(=O)CCCN1CCN(C(C)C)CC1)C(C)C ZINC000900701040 592098457 /nfs/dbraw/zinc/09/84/57/592098457.db2.gz UTEUSZCWSHDSBU-UHFFFAOYSA-N 1 3 326.529 1.639 20 0 EDADHO CC[N@@H+](CCNC(=O)CCCN1CCN(C(C)C)CC1)C(C)C ZINC000900701040 592098459 /nfs/dbraw/zinc/09/84/59/592098459.db2.gz UTEUSZCWSHDSBU-UHFFFAOYSA-N 1 3 326.529 1.639 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000903173274 592130215 /nfs/dbraw/zinc/13/02/15/592130215.db2.gz XYWTVGRTZINJNX-DQUFNHPKSA-N 1 3 333.476 1.560 20 0 EDADHO O=C1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000903173274 592130218 /nfs/dbraw/zinc/13/02/18/592130218.db2.gz XYWTVGRTZINJNX-DQUFNHPKSA-N 1 3 333.476 1.560 20 0 EDADHO COC(=O)c1ccccc1N(C)C(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499813 592179720 /nfs/dbraw/zinc/17/97/20/592179720.db2.gz PLSQMHBCNXRUDO-ZIAGYGMSSA-N 1 3 333.432 1.353 20 0 EDADHO Cc1cccc(N2CCN(C(=O)CN3C[C@@H](C)[C@H](CC[NH3+])C3)CC2)c1 ZINC000903496921 592188151 /nfs/dbraw/zinc/18/81/51/592188151.db2.gz KIWDZIFFELEHHU-QZTJIDSGSA-N 1 3 344.503 1.560 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496943 592188545 /nfs/dbraw/zinc/18/85/45/592188545.db2.gz KTJUXNNPYVDJKE-YLFCFFPRSA-N 1 3 325.497 1.615 20 0 EDADHO Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC000903525836 592198259 /nfs/dbraw/zinc/19/82/59/592198259.db2.gz RZUFYEUNQMNRLH-ZBFHGGJFSA-N 1 3 336.867 1.780 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103926 592246176 /nfs/dbraw/zinc/24/61/76/592246176.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000901103926 592246181 /nfs/dbraw/zinc/24/61/81/592246181.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 1 3 336.524 1.345 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904457731 592266100 /nfs/dbraw/zinc/26/61/00/592266100.db2.gz QONMQLAQMUAGKT-KDOFPFPSSA-N 1 3 346.479 1.885 20 0 EDADHO O=C(C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903719363 592281479 /nfs/dbraw/zinc/28/14/79/592281479.db2.gz YUUPYDKNLHUBMZ-KRWDZBQOSA-N 1 3 335.492 1.480 20 0 EDADHO Cc1ccccc1CN1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732965 592289388 /nfs/dbraw/zinc/28/93/88/592289388.db2.gz IMTGYOYYFFMJQC-VQTJNVASSA-N 1 3 329.488 1.881 20 0 EDADHO CCC[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903755415 592313664 /nfs/dbraw/zinc/31/36/64/592313664.db2.gz GTZVNZJGTYXGKY-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO CC(C)N1CCN(CCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260278 592315838 /nfs/dbraw/zinc/31/58/38/592315838.db2.gz YNRCQEAWIQXHPQ-QGZVFWFLSA-N 1 3 338.540 1.591 20 0 EDADHO C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1ccncc1 ZINC000903783148 592320986 /nfs/dbraw/zinc/32/09/86/592320986.db2.gz VCTUILZERVVMTI-SJLPKXTDSA-N 1 3 330.476 1.751 20 0 EDADHO COc1cccc([C@@H]2CNCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903783192 592321119 /nfs/dbraw/zinc/32/11/19/592321119.db2.gz WCZLIZYOFOMIDG-CEXWTWQISA-N 1 3 331.460 1.410 20 0 EDADHO COc1ccc([C@@H]2CNCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782687 592321470 /nfs/dbraw/zinc/32/14/70/592321470.db2.gz QPNVTKLVNSQSIA-OALUTQOASA-N 1 3 345.487 1.800 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202077 592379212 /nfs/dbraw/zinc/37/92/12/592379212.db2.gz IFEWPQOGSGVXLK-MSOLQXFVSA-N 1 3 331.460 1.081 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000908202077 592379218 /nfs/dbraw/zinc/37/92/18/592379218.db2.gz IFEWPQOGSGVXLK-MSOLQXFVSA-N 1 3 331.460 1.081 20 0 EDADHO CN(C)Cc1cc(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1F ZINC000903925978 592380249 /nfs/dbraw/zinc/38/02/49/592380249.db2.gz QJBCPXOUNVYMRX-MRXNPFEDSA-N 1 3 346.454 1.693 20 0 EDADHO Cc1c(C[C@H](CN)C[N@@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935896 592386253 /nfs/dbraw/zinc/38/62/53/592386253.db2.gz VOUUMXKCBMOGGR-MRXNPFEDSA-N 1 3 335.496 1.228 20 0 EDADHO Cc1c(C[C@H](CN)C[N@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935896 592386257 /nfs/dbraw/zinc/38/62/57/592386257.db2.gz VOUUMXKCBMOGGR-MRXNPFEDSA-N 1 3 335.496 1.228 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCCCCCNC(=O)CC2)cnn1C ZINC000903935896 592386261 /nfs/dbraw/zinc/38/62/61/592386261.db2.gz VOUUMXKCBMOGGR-MRXNPFEDSA-N 1 3 335.496 1.228 20 0 EDADHO C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903960125 592391577 /nfs/dbraw/zinc/39/15/77/592391577.db2.gz XVTGKVRCQGZAOP-HNNXBMFYSA-N 1 3 333.432 1.087 20 0 EDADHO C[N@@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903960125 592391581 /nfs/dbraw/zinc/39/15/81/592391581.db2.gz XVTGKVRCQGZAOP-HNNXBMFYSA-N 1 3 333.432 1.087 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947729 592394136 /nfs/dbraw/zinc/39/41/36/592394136.db2.gz GHVFJXOYZIABKA-AEFFLSMTSA-N 1 3 337.508 1.712 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947729 592394141 /nfs/dbraw/zinc/39/41/41/592394141.db2.gz GHVFJXOYZIABKA-AEFFLSMTSA-N 1 3 337.508 1.712 20 0 EDADHO COCCCn1nccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980535 592400942 /nfs/dbraw/zinc/40/09/42/592400942.db2.gz UKKGMYQIIJZKEG-KDURUIRLSA-N 1 3 347.507 1.320 20 0 EDADHO COCCCn1nccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980535 592400946 /nfs/dbraw/zinc/40/09/46/592400946.db2.gz UKKGMYQIIJZKEG-KDURUIRLSA-N 1 3 347.507 1.320 20 0 EDADHO COCCCn1nccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980535 592400949 /nfs/dbraw/zinc/40/09/49/592400949.db2.gz UKKGMYQIIJZKEG-KDURUIRLSA-N 1 3 347.507 1.320 20 0 EDADHO CN(C)CCOc1cc(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)ccn1 ZINC000904024262 592410186 /nfs/dbraw/zinc/41/01/86/592410186.db2.gz ZJBYWMSWHIHPRT-CYBMUJFWSA-N 1 3 331.420 1.566 20 0 EDADHO CN(C)CCOc1cc(-c2noc(C[C@H]3CC[N@@H+](C)C3)n2)ccn1 ZINC000904024262 592410189 /nfs/dbraw/zinc/41/01/89/592410189.db2.gz ZJBYWMSWHIHPRT-CYBMUJFWSA-N 1 3 331.420 1.566 20 0 EDADHO OCC1(C[C@H](O)CNC2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000905127070 592427189 /nfs/dbraw/zinc/42/71/89/592427189.db2.gz IMCKBKDCIXVUAM-AEFFLSMTSA-N 1 3 340.508 1.381 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905175098 592454507 /nfs/dbraw/zinc/45/45/07/592454507.db2.gz MQEQRZBUYJKMFP-GVDBMIGSSA-N 1 3 326.481 1.010 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000905353362 592504013 /nfs/dbraw/zinc/50/40/13/592504013.db2.gz GLZVWFXTCXRZQN-MRXNPFEDSA-N 1 3 337.489 1.701 20 0 EDADHO CN(C)CCCS(=O)(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000905361634 592508704 /nfs/dbraw/zinc/50/87/04/592508704.db2.gz IBTUDHAUEWEFPH-UHFFFAOYSA-N 1 3 329.510 1.011 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410223 592524195 /nfs/dbraw/zinc/52/41/95/592524195.db2.gz UJUROCPEHKBSDJ-DLBZAZTESA-N 1 3 326.481 1.276 20 0 EDADHO O[C@H](CNC[C@@H]1CC[N@H+]1C1CCCCCC1)C1(O)CCOCC1 ZINC000905410223 592524197 /nfs/dbraw/zinc/52/41/97/592524197.db2.gz UJUROCPEHKBSDJ-DLBZAZTESA-N 1 3 326.481 1.276 20 0 EDADHO CN(C)CCNC(=S)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000905543581 592557162 /nfs/dbraw/zinc/55/71/62/592557162.db2.gz BAWVISNMNJORQD-QGZVFWFLSA-N 1 3 347.532 1.819 20 0 EDADHO CN(C)CCNC(=S)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000905543581 592557164 /nfs/dbraw/zinc/55/71/64/592557164.db2.gz BAWVISNMNJORQD-QGZVFWFLSA-N 1 3 347.532 1.819 20 0 EDADHO CC[C@@](O)(CN(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934189 592688235 /nfs/dbraw/zinc/68/82/35/592688235.db2.gz RKQMKGBIIUEFKC-TZMCWYRMSA-N 1 3 326.403 1.714 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218254 592760632 /nfs/dbraw/zinc/76/06/32/592760632.db2.gz ILJGOAZHUJXMEG-OAHLLOKOSA-N 1 3 333.480 1.151 20 0 EDADHO N[C@H](CC(=O)NC[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000911755255 592998214 /nfs/dbraw/zinc/99/82/14/592998214.db2.gz QPCVKBARWNIPRB-UONOGXRCSA-N 1 3 340.265 1.577 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000911799614 593012489 /nfs/dbraw/zinc/01/24/89/593012489.db2.gz IZTZGXKVORNJKU-UHFFFAOYSA-N 1 3 333.476 1.947 20 0 EDADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000911940174 593040237 /nfs/dbraw/zinc/04/02/37/593040237.db2.gz ICDNGLSAIAZLDH-MRXNPFEDSA-N 1 3 337.508 1.556 20 0 EDADHO CN1CCC(N(CCO)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000911940174 593040238 /nfs/dbraw/zinc/04/02/38/593040238.db2.gz ICDNGLSAIAZLDH-MRXNPFEDSA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813323083 593525984 /nfs/dbraw/zinc/52/59/84/593525984.db2.gz LCTPKHAOEOJTTJ-ZDUSSCGKSA-N 1 3 344.459 1.987 20 0 EDADHO C[NH+](C)C1CCN(CCNC[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000819134777 593740728 /nfs/dbraw/zinc/74/07/28/593740728.db2.gz MZGWUNARLAWRSN-QGZVFWFLSA-N 1 3 327.419 1.614 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C3CC3)cc2)CC1 ZINC000819369235 593752265 /nfs/dbraw/zinc/75/22/65/593752265.db2.gz WKOPFKMXZKJMRN-GOSISDBHSA-N 1 3 331.460 1.244 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000822951263 594127324 /nfs/dbraw/zinc/12/73/24/594127324.db2.gz ONRMJOKYTLMUOM-HIFRSBDPSA-N 1 3 342.447 1.739 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841018547 594840410 /nfs/dbraw/zinc/84/04/10/594840410.db2.gz WGOORLKHNUROAI-MRXNPFEDSA-N 1 3 331.464 1.654 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000841096548 594850264 /nfs/dbraw/zinc/85/02/64/594850264.db2.gz ZSJATGCKQVXSTA-KXBFYZLASA-N 1 3 341.455 1.660 20 0 EDADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847376 594964831 /nfs/dbraw/zinc/96/48/31/594964831.db2.gz VTYINCNAPFMITG-WBMJQRKESA-N 1 3 331.416 1.674 20 0 EDADHO CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000842509630 595123191 /nfs/dbraw/zinc/12/31/91/595123191.db2.gz LHXHNZFBSHTLDL-MRXNPFEDSA-N 1 3 336.484 1.412 20 0 EDADHO CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000842509630 595123194 /nfs/dbraw/zinc/12/31/94/595123194.db2.gz LHXHNZFBSHTLDL-MRXNPFEDSA-N 1 3 336.484 1.412 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843486900 595126564 /nfs/dbraw/zinc/12/65/64/595126564.db2.gz KQXWYDPICFVGHI-QGZVFWFLSA-N 1 3 337.439 1.485 20 0 EDADHO CCc1ccc([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000844166057 595288992 /nfs/dbraw/zinc/28/89/92/595288992.db2.gz YGXHCOCOSLQMIQ-MSOLQXFVSA-N 1 3 333.476 1.737 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844171672 595290921 /nfs/dbraw/zinc/29/09/21/595290921.db2.gz PTTOMDPJMIUFJH-QGZVFWFLSA-N 1 3 335.448 1.012 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844176772 595293066 /nfs/dbraw/zinc/29/30/66/595293066.db2.gz UGMIYKXMWSYAQI-MRXNPFEDSA-N 1 3 335.448 1.012 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C2CCN(C3CC3)CC2)C1 ZINC000846698245 595303704 /nfs/dbraw/zinc/30/37/04/595303704.db2.gz CJPPZMDEONQWJB-NXHRZFHOSA-N 1 3 335.492 1.748 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc3nonc3c2)CC1 ZINC000846822234 595321601 /nfs/dbraw/zinc/32/16/01/595321601.db2.gz LGEPXFJXUAQUGO-UHFFFAOYSA-N 1 3 331.420 1.113 20 0 EDADHO CN(C)CC[C@H](N)c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000844912585 595412791 /nfs/dbraw/zinc/41/27/91/595412791.db2.gz OJVRGRUPUBKHJU-HNNXBMFYSA-N 1 3 333.436 1.629 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(F)c1 ZINC000849059806 595476661 /nfs/dbraw/zinc/47/66/61/595476661.db2.gz OQFNRUASVIORNX-LSDHHAIUSA-N 1 3 338.427 1.164 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068532 595477532 /nfs/dbraw/zinc/47/75/32/595477532.db2.gz NWFJUDRYZYHYSL-OAHLLOKOSA-N 1 3 334.464 1.845 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000849095155 595481055 /nfs/dbraw/zinc/48/10/55/595481055.db2.gz YNKGGKQOCYHVTK-OAHLLOKOSA-N 1 3 346.475 1.388 20 0 EDADHO COC[C@H](C)NC(=[NH2+])NCc1ccc(OCCN2CCCC2)cc1 ZINC000849100607 595481707 /nfs/dbraw/zinc/48/17/07/595481707.db2.gz MOSKNMIVDCMJRX-HNNXBMFYSA-N 1 3 334.464 1.810 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551524 /nfs/dbraw/zinc/55/15/24/595551524.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 1 3 345.491 1.198 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551526 /nfs/dbraw/zinc/55/15/26/595551526.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 1 3 345.491 1.198 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849541576 595560681 /nfs/dbraw/zinc/56/06/81/595560681.db2.gz PFQAHBOPPCVEIJ-OIISXLGYSA-N 1 3 335.496 1.302 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572601 595574881 /nfs/dbraw/zinc/57/48/81/595574881.db2.gz CFKOLTQIOKDGDR-SJORKVTESA-N 1 3 347.507 1.304 20 0 EDADHO CC1CC[NH+](Cc2ccc(NC(=O)C3=NO[C@H](CN)C3)cc2)CC1 ZINC000852858020 595580037 /nfs/dbraw/zinc/58/00/37/595580037.db2.gz MWPNHKRHXLTNCE-INIZCTEOSA-N 1 3 330.432 1.961 20 0 EDADHO CC(C)N1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596635 595587087 /nfs/dbraw/zinc/58/70/87/595587087.db2.gz AWOZNVIGSNLRPD-ROUUACIJSA-N 1 3 347.507 1.254 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852871954 595591353 /nfs/dbraw/zinc/59/13/53/595591353.db2.gz FZAFAXQOMWJTCN-IRXDYDNUSA-N 1 3 344.459 1.461 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852871954 595591356 /nfs/dbraw/zinc/59/13/56/595591356.db2.gz FZAFAXQOMWJTCN-IRXDYDNUSA-N 1 3 344.459 1.461 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857963925 595670011 /nfs/dbraw/zinc/67/00/11/595670011.db2.gz QFHVKZDEDAVFRB-GJZGRUSLSA-N 1 3 335.496 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC000857963925 595670013 /nfs/dbraw/zinc/67/00/13/595670013.db2.gz QFHVKZDEDAVFRB-GJZGRUSLSA-N 1 3 335.496 1.467 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000855346032 595680301 /nfs/dbraw/zinc/68/03/01/595680301.db2.gz MAYBRIKHLZORFM-HNNXBMFYSA-N 1 3 347.463 1.526 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cn2cccn2)o1 ZINC000855346032 595680304 /nfs/dbraw/zinc/68/03/04/595680304.db2.gz MAYBRIKHLZORFM-HNNXBMFYSA-N 1 3 347.463 1.526 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C2OCCO2)cc1 ZINC000855346292 595680481 /nfs/dbraw/zinc/68/04/81/595680481.db2.gz VMFOBSCVQZWCBH-HNNXBMFYSA-N 1 3 349.475 1.734 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C2OCCO2)cc1 ZINC000855346292 595680482 /nfs/dbraw/zinc/68/04/82/595680482.db2.gz VMFOBSCVQZWCBH-HNNXBMFYSA-N 1 3 349.475 1.734 20 0 EDADHO C[C@H](CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000853741444 595868368 /nfs/dbraw/zinc/86/83/68/595868368.db2.gz ICXGHNBULFZZRO-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CC[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934973 595976841 /nfs/dbraw/zinc/97/68/41/595976841.db2.gz QKCJPQOVYIDJJW-KRWDZBQOSA-N 1 3 339.524 1.878 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861554426 596028537 /nfs/dbraw/zinc/02/85/37/596028537.db2.gz QPBDFAYEOJXBSX-MRXNPFEDSA-N 1 3 347.507 1.313 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046460 /nfs/dbraw/zinc/04/64/60/596046460.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 1 3 341.496 1.680 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2 ZINC000852108303 596046462 /nfs/dbraw/zinc/04/64/62/596046462.db2.gz ZXBXWBSXMUPLNQ-MSOLQXFVSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)CC1(NC[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000852179811 596072417 /nfs/dbraw/zinc/07/24/17/596072417.db2.gz BEPARSVLTHIZPZ-HNNXBMFYSA-N 1 3 342.480 1.314 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000866714492 596306924 /nfs/dbraw/zinc/30/69/24/596306924.db2.gz PXFJLDPOVZKAJF-YESZJQIVSA-N 1 3 338.411 1.602 20 0 EDADHO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863555727 596617502 /nfs/dbraw/zinc/61/75/02/596617502.db2.gz WDWZCWQDOBFWIC-HUUCEWRRSA-N 1 3 329.485 1.678 20 0 EDADHO CN(C)CCOc1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1F ZINC000863559765 596618876 /nfs/dbraw/zinc/61/88/76/596618876.db2.gz UQFSCNYORLTFMT-HNNXBMFYSA-N 1 3 325.428 1.635 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865817916 596696316 /nfs/dbraw/zinc/69/63/16/596696316.db2.gz IYWPRKDJHDLSTE-CVEARBPZSA-N 1 3 337.489 1.354 20 0 EDADHO CNS(=O)(=O)c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000865817916 596696318 /nfs/dbraw/zinc/69/63/18/596696318.db2.gz IYWPRKDJHDLSTE-CVEARBPZSA-N 1 3 337.489 1.354 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868149082 596702752 /nfs/dbraw/zinc/70/27/52/596702752.db2.gz UAQMQGLSGOFAEL-SHTZXODSSA-N 1 3 331.464 1.687 20 0 EDADHO COCCN1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868187707 596715396 /nfs/dbraw/zinc/71/53/96/596715396.db2.gz OEFGGCRIHYOBNN-DLBZAZTESA-N 1 3 332.448 1.734 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(Cc2cccc(C3CC3)c2)C1 ZINC000872255309 596856593 /nfs/dbraw/zinc/85/65/93/596856593.db2.gz BBYLVLHSUDVGSH-FGTMMUONSA-N 1 3 327.428 1.931 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000876098240 597089224 /nfs/dbraw/zinc/08/92/24/597089224.db2.gz NLSPPECNRSOTLW-SJORKVTESA-N 1 3 340.512 1.326 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N1CCN(C)CC1 ZINC000874466204 597092507 /nfs/dbraw/zinc/09/25/07/597092507.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 1 3 326.529 1.353 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N1CCN(C)CC1 ZINC000874466204 597092512 /nfs/dbraw/zinc/09/25/12/597092512.db2.gz HHJYQCLOWYWPRI-MRXNPFEDSA-N 1 3 326.529 1.353 20 0 EDADHO CC(C)(C)n1cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cn1 ZINC000873219322 597231509 /nfs/dbraw/zinc/23/15/09/597231509.db2.gz XTBASYWMXVTXLF-UHFFFAOYSA-N 1 3 339.447 1.967 20 0 EDADHO NCc1cn(-c2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239322 /nfs/dbraw/zinc/23/93/22/597239322.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 1 3 326.448 1.442 20 0 EDADHO NCc1cn(-c2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239325 /nfs/dbraw/zinc/23/93/25/597239325.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 1 3 326.448 1.442 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240538 /nfs/dbraw/zinc/24/05/38/597240538.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240541 /nfs/dbraw/zinc/24/05/41/597240541.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 1 3 342.487 1.997 20 0 EDADHO C[C@H](NC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C(C)(C)C[NH+](C)C ZINC000875359883 597398487 /nfs/dbraw/zinc/39/84/87/597398487.db2.gz CLTGFGULBIGQDW-KBPBESRZSA-N 1 3 328.501 1.107 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC[C@H]1Cc2ccccc2CN1)c1ccc(F)cc1 ZINC000877344302 597496916 /nfs/dbraw/zinc/49/69/16/597496916.db2.gz WSNVLKKVSUGADA-QZTJIDSGSA-N 1 3 327.403 1.699 20 0 EDADHO NC[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000877360261 597500827 /nfs/dbraw/zinc/50/08/27/597500827.db2.gz LJIHXHCHLKMWQU-WXHSDQCUSA-N 1 3 333.329 1.464 20 0 EDADHO CN(C)CCn1cc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000877409171 597511281 /nfs/dbraw/zinc/51/12/81/597511281.db2.gz MYSPFUBTISWDKS-MRXNPFEDSA-N 1 3 333.480 1.487 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCn2cc(Br)cn2)CC1 ZINC000877518941 597529810 /nfs/dbraw/zinc/52/98/10/597529810.db2.gz NOSKMQYHNCFYSC-UHFFFAOYSA-N 1 3 345.285 1.471 20 0 EDADHO CN1CCN(C2CC[NH+](Cc3ccc4nccnc4c3)CC2)CC1 ZINC000877746883 597552920 /nfs/dbraw/zinc/55/29/20/597552920.db2.gz LNOCFNSNJRFJSV-UHFFFAOYSA-N 1 3 325.460 1.842 20 0 EDADHO C[NH+]1CCC(NC(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000878328018 597595815 /nfs/dbraw/zinc/59/58/15/597595815.db2.gz YHCBVCSXHWUXNF-AWEZNQCLSA-N 1 3 346.479 1.072 20 0 EDADHO Cn1nc2c(c1CNCCC[N@@H+]1CCCN(C)CC1)CSCC2 ZINC000882985186 597607013 /nfs/dbraw/zinc/60/70/13/597607013.db2.gz LIJVRTDZCZBUGN-UHFFFAOYSA-N 1 3 337.537 1.327 20 0 EDADHO Cn1nc2c(c1CNCCC[N@H+]1CCCN(C)CC1)CSCC2 ZINC000882985186 597607015 /nfs/dbraw/zinc/60/70/15/597607015.db2.gz LIJVRTDZCZBUGN-UHFFFAOYSA-N 1 3 337.537 1.327 20 0 EDADHO COC[C@H]1C[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000883249151 597694114 /nfs/dbraw/zinc/69/41/14/597694114.db2.gz VHEKOZMCXWPBBD-FZNQNYSPSA-N 1 3 338.496 1.269 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431913 597743992 /nfs/dbraw/zinc/74/39/92/597743992.db2.gz GKMQXJXARFUJCE-SJORKVTESA-N 1 3 349.479 1.350 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431913 597743996 /nfs/dbraw/zinc/74/39/96/597743996.db2.gz GKMQXJXARFUJCE-SJORKVTESA-N 1 3 349.479 1.350 20 0 EDADHO N[C@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000884022215 597970517 /nfs/dbraw/zinc/97/05/17/597970517.db2.gz AAWRSFMNRVPOLT-MRXNPFEDSA-N 1 3 331.416 1.661 20 0 EDADHO CO[C@@H](CN)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000884187888 598019286 /nfs/dbraw/zinc/01/92/86/598019286.db2.gz RVZSAJFAHOMWSE-RKVPGOIHSA-N 1 3 333.476 1.754 20 0 EDADHO CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1CCN(CCc2ccccn2)CC1 ZINC000884206584 598028352 /nfs/dbraw/zinc/02/83/52/598028352.db2.gz YPZLWFBTVOQYEQ-SFHVURJKSA-N 1 3 344.503 1.793 20 0 EDADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@@H]3C2)CC1 ZINC000992850162 695406819 /nfs/dbraw/zinc/40/68/19/695406819.db2.gz BMMQANWFCOKFJZ-GVDBMIGSSA-N 1 3 325.472 1.905 20 0 EDADHO C[C@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCCN1CCO ZINC000993628543 696291803 /nfs/dbraw/zinc/29/18/03/696291803.db2.gz HSCHUBDQZQRUGK-MAUKXSAKSA-N 1 3 333.476 1.366 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCO ZINC000994482942 696923319 /nfs/dbraw/zinc/92/33/19/696923319.db2.gz FUSDULCCQNPWCZ-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCO ZINC000994482942 696923321 /nfs/dbraw/zinc/92/33/21/696923321.db2.gz FUSDULCCQNPWCZ-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO CN1CCN(C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc2)CC1 ZINC000925475101 697373433 /nfs/dbraw/zinc/37/34/33/697373433.db2.gz FHMUHEYOYWRQNP-GBESFXJTSA-N 1 3 328.504 1.835 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1cncc(F)c1 ZINC000939543391 699684497 /nfs/dbraw/zinc/68/44/97/699684497.db2.gz CKCICVMNRPOGOZ-BBRMVZONSA-N 1 3 332.423 1.253 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1cnn(C)c1 ZINC000939809773 699958054 /nfs/dbraw/zinc/95/80/54/699958054.db2.gz JLGSFDVZHARVNR-NVXWUHKLSA-N 1 3 333.480 1.233 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCCN3C)CC2)nn1C ZINC000940178047 700311435 /nfs/dbraw/zinc/31/14/35/700311435.db2.gz AOOXJQMQUQTSCE-KRWDZBQOSA-N 1 3 347.507 1.684 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000940219404 700381198 /nfs/dbraw/zinc/38/11/98/700381198.db2.gz KDKJRIFNQLIPKO-GNZRSQJKSA-N 1 3 347.503 1.620 20 0 EDADHO Cn1cc(CNC[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000995055725 700423412 /nfs/dbraw/zinc/42/34/12/700423412.db2.gz PQQROMBQIQFIPL-GJZGRUSLSA-N 1 3 348.495 1.064 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000940328032 700505774 /nfs/dbraw/zinc/50/57/74/700505774.db2.gz CWBALBPNMIIGKR-HNNXBMFYSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329502 700509121 /nfs/dbraw/zinc/50/91/21/700509121.db2.gz UTYMLQLFZVOXJJ-SJORKVTESA-N 1 3 337.508 1.726 20 0 EDADHO COc1ncccc1C[NH2+]C1(C)CCN(C(=O)CN2CCCC2)CC1 ZINC000940462029 700665482 /nfs/dbraw/zinc/66/54/82/700665482.db2.gz XKAYEWMPFISOAI-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976921 /nfs/dbraw/zinc/97/69/21/700976921.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 1 3 349.519 1.722 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976922 /nfs/dbraw/zinc/97/69/22/700976922.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 1 3 349.519 1.722 20 0 EDADHO C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000941236823 701427583 /nfs/dbraw/zinc/42/75/83/701427583.db2.gz BCKBPWOSTSVPKC-QAPCUYQASA-N 1 3 347.503 1.959 20 0 EDADHO C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000941236823 701427584 /nfs/dbraw/zinc/42/75/84/701427584.db2.gz BCKBPWOSTSVPKC-QAPCUYQASA-N 1 3 347.503 1.959 20 0 EDADHO CC(C)(C(=O)N1CCN(C2CN(CC3CC3)C2)CC1)[NH+]1CCCCC1 ZINC000941411085 701527411 /nfs/dbraw/zinc/52/74/11/701527411.db2.gz VDPGCKIPLIUHIR-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412289 701527914 /nfs/dbraw/zinc/52/79/14/701527914.db2.gz CFOGHEWQHZSGKR-JFIYKMOQSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@@H](C)CN1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412289 701527916 /nfs/dbraw/zinc/52/79/16/701527916.db2.gz CFOGHEWQHZSGKR-JFIYKMOQSA-N 1 3 336.524 1.201 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941431829 701538263 /nfs/dbraw/zinc/53/82/63/701538263.db2.gz UTMOMSRYLWTUHZ-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941431829 701538264 /nfs/dbraw/zinc/53/82/64/701538264.db2.gz UTMOMSRYLWTUHZ-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944445913 702033685 /nfs/dbraw/zinc/03/36/85/702033685.db2.gz QORAILDYQNHFCK-YOEHRIQHSA-N 1 3 348.491 1.904 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1C ZINC000944445913 702033690 /nfs/dbraw/zinc/03/36/90/702033690.db2.gz QORAILDYQNHFCK-YOEHRIQHSA-N 1 3 348.491 1.904 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCc1ccccn1 ZINC000995823140 702093441 /nfs/dbraw/zinc/09/34/41/702093441.db2.gz LACIVEULNNFINW-QZTJIDSGSA-N 1 3 342.487 1.750 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CC1 ZINC000996072562 702484316 /nfs/dbraw/zinc/48/43/16/702484316.db2.gz QEZARLBCSBPTOD-BWRBCVJASA-N 1 3 333.476 1.086 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000996679041 702977749 /nfs/dbraw/zinc/97/77/49/702977749.db2.gz POZKRBSASKINLS-GOSISDBHSA-N 1 3 347.507 1.366 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)n1 ZINC000996681295 702979799 /nfs/dbraw/zinc/97/97/99/702979799.db2.gz YZNNHPBXXXRBJK-GOSISDBHSA-N 1 3 346.475 1.511 20 0 EDADHO C[C@H](NC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996688378 702985461 /nfs/dbraw/zinc/98/54/61/702985461.db2.gz IIQSGLJUMOUVAO-DOTOQJQBSA-N 1 3 345.491 1.993 20 0 EDADHO C[C@H](NC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000996688378 702985462 /nfs/dbraw/zinc/98/54/62/702985462.db2.gz IIQSGLJUMOUVAO-DOTOQJQBSA-N 1 3 345.491 1.993 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996689062 702986390 /nfs/dbraw/zinc/98/63/90/702986390.db2.gz RMTFOICPASMCIQ-SFHVURJKSA-N 1 3 348.491 1.757 20 0 EDADHO COc1cncc(CNC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996695448 702991980 /nfs/dbraw/zinc/99/19/80/702991980.db2.gz LERJPSVBBLGCJJ-KRWDZBQOSA-N 1 3 349.479 1.152 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)N(C)C ZINC000996713476 703008540 /nfs/dbraw/zinc/00/85/40/703008540.db2.gz VJFCIKIHKISJKL-DLBZAZTESA-N 1 3 325.497 1.866 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)C1 ZINC000996713445 703008654 /nfs/dbraw/zinc/00/86/54/703008654.db2.gz VCPKRTOLLOJUGG-BDVYOWHSSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001032027414 703049461 /nfs/dbraw/zinc/04/94/61/703049461.db2.gz RCCBABXMYPOXNU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H]2CCCCO2)C1 ZINC001032027414 703049464 /nfs/dbraw/zinc/04/94/64/703049464.db2.gz RCCBABXMYPOXNU-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996766270 703057588 /nfs/dbraw/zinc/05/75/88/703057588.db2.gz ZQYBINVZKXHOQP-GOSISDBHSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2ccn(C)n2)CC1 ZINC000996766270 703057590 /nfs/dbraw/zinc/05/75/90/703057590.db2.gz ZQYBINVZKXHOQP-GOSISDBHSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H](NC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1cnccn1 ZINC000996769419 703060591 /nfs/dbraw/zinc/06/05/91/703060591.db2.gz FXIQDFUMALARSL-HNNXBMFYSA-N 1 3 343.475 1.747 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)C1 ZINC000996996925 703260601 /nfs/dbraw/zinc/26/06/01/703260601.db2.gz BSIGXCICCPUBIF-OXQOHEQNSA-N 1 3 349.519 1.726 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005494 703262837 /nfs/dbraw/zinc/26/28/37/703262837.db2.gz DSXNARXWUBFCCO-RHSMWYFYSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005494 703262838 /nfs/dbraw/zinc/26/28/38/703262838.db2.gz DSXNARXWUBFCCO-RHSMWYFYSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005486 703262854 /nfs/dbraw/zinc/26/28/54/703262854.db2.gz DSXNARXWUBFCCO-PBHICJAKSA-N 1 3 333.480 1.181 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997005486 703262855 /nfs/dbraw/zinc/26/28/55/703262855.db2.gz DSXNARXWUBFCCO-PBHICJAKSA-N 1 3 333.480 1.181 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]CCc2csc(C)n2)CC1)N(C)C ZINC000997011246 703271372 /nfs/dbraw/zinc/27/13/72/703271372.db2.gz XIKGBRQMNZWYKF-INIZCTEOSA-N 1 3 338.521 1.915 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362665 703596694 /nfs/dbraw/zinc/59/66/94/703596694.db2.gz BAPDLZPFSBKLTJ-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997362665 703596695 /nfs/dbraw/zinc/59/66/95/703596695.db2.gz BAPDLZPFSBKLTJ-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032433092 703602228 /nfs/dbraw/zinc/60/22/28/703602228.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 1 3 335.492 1.573 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032433092 703602230 /nfs/dbraw/zinc/60/22/30/703602230.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 1 3 335.492 1.573 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)C1 ZINC000999288797 706783022 /nfs/dbraw/zinc/78/30/22/706783022.db2.gz ALVFDJPQPXBDNF-HJOIGYKYSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C2CC(NCc3ccnn3C)C2)C1 ZINC000999288797 706783024 /nfs/dbraw/zinc/78/30/24/706783024.db2.gz ALVFDJPQPXBDNF-HJOIGYKYSA-N 1 3 347.507 1.621 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999302923 706806393 /nfs/dbraw/zinc/80/63/93/706806393.db2.gz GSODRPCPZREKPV-DOTOQJQBSA-N 1 3 333.480 1.375 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cncn2C)C1 ZINC000999302923 706806395 /nfs/dbraw/zinc/80/63/95/706806395.db2.gz GSODRPCPZREKPV-DOTOQJQBSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1)C1CC1 ZINC001004455862 704449346 /nfs/dbraw/zinc/44/93/46/704449346.db2.gz BJSRGTKQSNNPQC-IRXDYDNUSA-N 1 3 325.472 1.999 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1)C1CC1 ZINC001004455862 704449347 /nfs/dbraw/zinc/44/93/47/704449347.db2.gz BJSRGTKQSNNPQC-IRXDYDNUSA-N 1 3 325.472 1.999 20 0 EDADHO C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)O1 ZINC000997822478 704742200 /nfs/dbraw/zinc/74/22/00/704742200.db2.gz FECRYGWPZOYYPB-DOTOQJQBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081207 705301470 /nfs/dbraw/zinc/30/14/70/705301470.db2.gz GVHIKNBLLQJNRJ-HNNXBMFYSA-N 1 3 348.466 1.891 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998080552 705305973 /nfs/dbraw/zinc/30/59/73/705305973.db2.gz DGGHEUSLJDZPML-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO CCn1ccc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998080552 705305976 /nfs/dbraw/zinc/30/59/76/705305976.db2.gz DGGHEUSLJDZPML-INIZCTEOSA-N 1 3 347.507 1.716 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998082989 705310808 /nfs/dbraw/zinc/31/08/08/705310808.db2.gz SINQYQVXJQLBGC-INIZCTEOSA-N 1 3 337.508 1.726 20 0 EDADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000083034748 705527300 /nfs/dbraw/zinc/52/73/00/705527300.db2.gz KOVFGAADYGGZNF-IIAWOOMASA-N 1 3 330.432 1.278 20 0 EDADHO Cc1ncsc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998269262 705643927 /nfs/dbraw/zinc/64/39/27/705643927.db2.gz LJOMORDPBBQZSP-UHFFFAOYSA-N 1 3 336.505 1.876 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2CC)C1 ZINC000998865004 706294775 /nfs/dbraw/zinc/29/47/75/706294775.db2.gz DSEULTUZUVDPFK-DQPZFDDXSA-N 1 3 348.495 1.251 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnnn2CC)C1 ZINC000998865004 706294777 /nfs/dbraw/zinc/29/47/77/706294777.db2.gz DSEULTUZUVDPFK-DQPZFDDXSA-N 1 3 348.495 1.251 20 0 EDADHO CCn1nnc(C)c1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999375963 706870149 /nfs/dbraw/zinc/87/01/49/706870149.db2.gz UABRAYYODGZVHF-WBVHZDCISA-N 1 3 348.495 1.027 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999367006 706880966 /nfs/dbraw/zinc/88/09/66/706880966.db2.gz DFAYJFSUOMOQCI-SJORKVTESA-N 1 3 333.480 1.149 20 0 EDADHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cn1 ZINC000999406125 706915674 /nfs/dbraw/zinc/91/56/74/706915674.db2.gz KKNDBBBPYLMAEV-OOHWJJMZSA-N 1 3 346.475 1.654 20 0 EDADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC000999600719 707102907 /nfs/dbraw/zinc/10/29/07/707102907.db2.gz DNQSESWOYIJPNN-AOCRQIFASA-N 1 3 337.508 1.724 20 0 EDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238997 /nfs/dbraw/zinc/23/89/97/707238997.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 1 3 337.508 1.534 20 0 EDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238998 /nfs/dbraw/zinc/23/89/98/707238998.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 1 3 337.508 1.534 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707599 707298847 /nfs/dbraw/zinc/29/88/47/707298847.db2.gz IIPFMIIFSALTCY-UHFFFAOYSA-N 1 3 332.448 1.466 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791277 707362466 /nfs/dbraw/zinc/36/24/66/707362466.db2.gz JYSNSGATRFWFEY-SJLPKXTDSA-N 1 3 345.491 1.375 20 0 EDADHO C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001004878079 707549899 /nfs/dbraw/zinc/54/98/99/707549899.db2.gz PLTKEKMJSHONFJ-YJBOKZPZSA-N 1 3 347.507 1.764 20 0 EDADHO C[C@H](NCc1cncn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932354 707695570 /nfs/dbraw/zinc/69/55/70/707695570.db2.gz ZGXQSPUDBQRMEN-YJBOKZPZSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001000194260 707831037 /nfs/dbraw/zinc/83/10/37/707831037.db2.gz VPWGWHFHCVMROO-CRAIPNDOSA-N 1 3 330.476 1.812 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001005183856 708134767 /nfs/dbraw/zinc/13/47/67/708134767.db2.gz KYBWVJWDPXYWHS-GOSISDBHSA-N 1 3 337.508 1.820 20 0 EDADHO COc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1C ZINC001033661865 708475534 /nfs/dbraw/zinc/47/55/34/708475534.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 1 3 345.487 1.988 20 0 EDADHO COc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1C ZINC001033661865 708475536 /nfs/dbraw/zinc/47/55/36/708475536.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 1 3 345.487 1.988 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000702811760 709856960 /nfs/dbraw/zinc/85/69/60/709856960.db2.gz HGPZJOJDXGUSIA-QXSJWSMHSA-N 1 3 339.480 1.431 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000702811760 709856966 /nfs/dbraw/zinc/85/69/66/709856966.db2.gz HGPZJOJDXGUSIA-QXSJWSMHSA-N 1 3 339.480 1.431 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034491370 710111780 /nfs/dbraw/zinc/11/17/80/710111780.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 1 3 333.480 1.196 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(CCn3cccn3)C2)C1 ZINC001034491370 710111782 /nfs/dbraw/zinc/11/17/82/710111782.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 1 3 333.480 1.196 20 0 EDADHO CC[C@H](C[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1)OC ZINC001003424976 710340164 /nfs/dbraw/zinc/34/01/64/710340164.db2.gz XTFHGFBOAPKLFR-MRXNPFEDSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccns2)CC1 ZINC001003636622 710456812 /nfs/dbraw/zinc/45/68/12/710456812.db2.gz WXVCTTXFFKOKRP-CZUORRHYSA-N 1 3 336.505 1.464 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCc2ccns2)CC1 ZINC001003636622 710456814 /nfs/dbraw/zinc/45/68/14/710456814.db2.gz WXVCTTXFFKOKRP-CZUORRHYSA-N 1 3 336.505 1.464 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633717 710461490 /nfs/dbraw/zinc/46/14/90/710461490.db2.gz HOWFFKKMJCQKSG-BBRMVZONSA-N 1 3 349.479 1.089 20 0 EDADHO Cc1noc(CCCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633717 710461492 /nfs/dbraw/zinc/46/14/92/710461492.db2.gz HOWFFKKMJCQKSG-BBRMVZONSA-N 1 3 349.479 1.089 20 0 EDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749236 710956564 /nfs/dbraw/zinc/95/65/64/710956564.db2.gz IVZSUBHINOEWGG-QBPKDAKJSA-N 1 3 325.497 1.647 20 0 EDADHO CCOC1CC(C[NH+]2CCC(NC(=O)Cc3nc[nH]c3C)CC2)C1 ZINC001004052371 711340399 /nfs/dbraw/zinc/34/03/99/711340399.db2.gz HLQTVJWLYOHSBN-UHFFFAOYSA-N 1 3 334.464 1.656 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034935957 711364453 /nfs/dbraw/zinc/36/44/53/711364453.db2.gz FHSWSDWOVOEDMF-IAGOWNOFSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cnn(C)c1 ZINC001034935957 711364455 /nfs/dbraw/zinc/36/44/55/711364455.db2.gz FHSWSDWOVOEDMF-IAGOWNOFSA-N 1 3 333.480 1.374 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001034955558 711423417 /nfs/dbraw/zinc/42/34/17/711423417.db2.gz KEBYARHFHLNZBZ-MSOLQXFVSA-N 1 3 347.507 1.684 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1cn(C)nc1C ZINC001034955558 711423421 /nfs/dbraw/zinc/42/34/21/711423421.db2.gz KEBYARHFHLNZBZ-MSOLQXFVSA-N 1 3 347.507 1.684 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034958852 711432750 /nfs/dbraw/zinc/43/27/50/711432750.db2.gz MNDBQNYQCLSDMC-FUHWJXTLSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1CNCc1ccnn1C ZINC001034958852 711432751 /nfs/dbraw/zinc/43/27/51/711432751.db2.gz MNDBQNYQCLSDMC-FUHWJXTLSA-N 1 3 347.507 1.764 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392119 711457485 /nfs/dbraw/zinc/45/74/85/711457485.db2.gz BMRGSDLTNJIKAM-PSBWJHGTSA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392119 711457487 /nfs/dbraw/zinc/45/74/87/711457487.db2.gz BMRGSDLTNJIKAM-PSBWJHGTSA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@@H]1C(C)C ZINC000922394577 711461121 /nfs/dbraw/zinc/46/11/21/711461121.db2.gz OQQOLMZIBAFOTL-LMCOJAPRSA-N 1 3 346.519 1.868 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@@H]1C(C)C ZINC000922394577 711461123 /nfs/dbraw/zinc/46/11/23/711461123.db2.gz OQQOLMZIBAFOTL-LMCOJAPRSA-N 1 3 346.519 1.868 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CCC1 ZINC000946623753 711924914 /nfs/dbraw/zinc/92/49/14/711924914.db2.gz PLNVWBDZTWXFFV-OKZBNKHCSA-N 1 3 349.519 1.678 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CCC1 ZINC000946623753 711924916 /nfs/dbraw/zinc/92/49/16/711924916.db2.gz PLNVWBDZTWXFFV-OKZBNKHCSA-N 1 3 349.519 1.678 20 0 EDADHO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000558722705 306245885 /nfs/dbraw/zinc/24/58/85/306245885.db2.gz OIKMTBQXGQSMGE-XHSDSOJGSA-N 1 3 343.537 1.511 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497914 282274268 /nfs/dbraw/zinc/27/42/68/282274268.db2.gz HWQWKGDWYOABPF-HOCLYGCPSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497914 282274269 /nfs/dbraw/zinc/27/42/69/282274269.db2.gz HWQWKGDWYOABPF-HOCLYGCPSA-N 1 3 328.526 1.455 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCCOC3)c2)C1 ZINC000248131807 539685815 /nfs/dbraw/zinc/68/58/15/539685815.db2.gz ONCKVISJMROTLF-MSOLQXFVSA-N 1 3 331.460 1.653 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCCOC3)c2)C1 ZINC000248131807 539685818 /nfs/dbraw/zinc/68/58/18/539685818.db2.gz ONCKVISJMROTLF-MSOLQXFVSA-N 1 3 331.460 1.653 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705432 /nfs/dbraw/zinc/70/54/32/539705432.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 1 3 338.540 1.785 20 0 EDADHO CCN1CCN(CCCCNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705434 /nfs/dbraw/zinc/70/54/34/539705434.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 1 3 338.540 1.785 20 0 EDADHO [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)c1ccc(F)cc1 ZINC000562808646 306309844 /nfs/dbraw/zinc/30/98/44/306309844.db2.gz JFJHXBGVZBYNEG-INIZCTEOSA-N 1 3 329.375 1.989 20 0 EDADHO C[C@@H](NC[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)C[NH+](C)C ZINC000562995444 306314958 /nfs/dbraw/zinc/31/49/58/306314958.db2.gz KHQNYVKLIWUGDW-ZIAGYGMSSA-N 1 3 347.459 1.209 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051959430 138137025 /nfs/dbraw/zinc/13/70/25/138137025.db2.gz YCVVNQUBIIYTIU-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCCCC2)CCN(C)CC1)C(C)(C)n1cncn1 ZINC000377806135 299282517 /nfs/dbraw/zinc/28/25/17/299282517.db2.gz BLVYEPWBUKJJCT-KRWDZBQOSA-N 1 3 348.539 1.942 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903929 535440560 /nfs/dbraw/zinc/44/05/60/535440560.db2.gz PFPHXVWSQNGCGY-RDTXWAMCSA-N 1 3 325.497 1.900 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654633 306362314 /nfs/dbraw/zinc/36/23/14/306362314.db2.gz HNETYDVCPWZFCK-IEBWSBKVSA-N 1 3 328.460 1.506 20 0 EDADHO CC(C)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)N1CCN(C)CC1 ZINC000564938641 306370546 /nfs/dbraw/zinc/37/05/46/306370546.db2.gz RMWBONOYNHWRCO-SFHVURJKSA-N 1 3 347.507 1.217 20 0 EDADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179263 304104689 /nfs/dbraw/zinc/10/46/89/304104689.db2.gz AFEFDOZGRXFUBJ-QGZVFWFLSA-N 1 3 347.507 1.184 20 0 EDADHO COC1(C[C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCC1 ZINC000414184505 304104943 /nfs/dbraw/zinc/10/49/43/304104943.db2.gz FVRVFTWCTPUMCY-QGZVFWFLSA-N 1 3 339.524 1.720 20 0 EDADHO O=C(NC[C@H]1CCCCN1CCO)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000565639447 306388340 /nfs/dbraw/zinc/38/83/40/306388340.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(NC[C@H]1CCCCN1CCO)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000565639447 306388341 /nfs/dbraw/zinc/38/83/41/306388341.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 1 3 337.508 1.604 20 0 EDADHO CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000414488477 304118842 /nfs/dbraw/zinc/11/88/42/304118842.db2.gz UIJAWWAMJDMROJ-IAGOWNOFSA-N 1 3 341.565 1.903 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CNCc3ccccc32)C[C@H]1c1ccccc1F ZINC000566209086 306403759 /nfs/dbraw/zinc/40/37/59/306403759.db2.gz OILLYCIUVLQOEV-ZIFCJYIRSA-N 1 3 339.414 1.966 20 0 EDADHO C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698409 304129431 /nfs/dbraw/zinc/12/94/31/304129431.db2.gz QTHNUSFVEBRZDS-IKGGRYGDSA-N 1 3 336.524 1.439 20 0 EDADHO COc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC000414710744 304131381 /nfs/dbraw/zinc/13/13/81/304131381.db2.gz SLZQVUCHLMXBPO-CQSZACIVSA-N 1 3 335.448 1.333 20 0 EDADHO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc(OC)c1 ZINC000414710744 304131383 /nfs/dbraw/zinc/13/13/83/304131383.db2.gz SLZQVUCHLMXBPO-CQSZACIVSA-N 1 3 335.448 1.333 20 0 EDADHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797338 304141726 /nfs/dbraw/zinc/14/17/26/304141726.db2.gz INKPMRODQQNYRJ-WCQYABFASA-N 1 3 341.839 1.430 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000414828761 304145720 /nfs/dbraw/zinc/14/57/20/304145720.db2.gz MPYGYLZZWCTSHG-ZIAGYGMSSA-N 1 3 333.432 1.780 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCNC2)c1 ZINC000414828761 304145721 /nfs/dbraw/zinc/14/57/21/304145721.db2.gz MPYGYLZZWCTSHG-ZIAGYGMSSA-N 1 3 333.432 1.780 20 0 EDADHO CCN1CCN(c2ccccc2CN[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000090 304149807 /nfs/dbraw/zinc/14/98/07/304149807.db2.gz LEKCEZFTHKNMKB-KRWDZBQOSA-N 1 3 338.446 1.915 20 0 EDADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415075077 304157861 /nfs/dbraw/zinc/15/78/61/304157861.db2.gz AZAMNZVXSOAKIT-ZMSDIMECSA-N 1 3 325.497 1.615 20 0 EDADHO CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1OC ZINC000415080830 304158098 /nfs/dbraw/zinc/15/80/98/304158098.db2.gz JUHGIBUJKVCHAI-HNNXBMFYSA-N 1 3 335.448 1.381 20 0 EDADHO CCN1CCN(c2ccccc2CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415100227 304160171 /nfs/dbraw/zinc/16/01/71/304160171.db2.gz ALZIDRQGJOAEGE-SFHVURJKSA-N 1 3 332.492 1.378 20 0 EDADHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415102769 304160200 /nfs/dbraw/zinc/16/02/00/304160200.db2.gz JSXXNADKXNCRFJ-CHWSQXEVSA-N 1 3 325.403 1.855 20 0 EDADHO Cc1cccc2ncc(CN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n21 ZINC000415132115 304162555 /nfs/dbraw/zinc/16/25/55/304162555.db2.gz AFNGQUNPMMMBSM-SJORKVTESA-N 1 3 326.444 1.843 20 0 EDADHO CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000236946455 139035920 /nfs/dbraw/zinc/03/59/20/139035920.db2.gz LVCDIUMYHFRQSO-IRXDYDNUSA-N 1 3 346.475 1.919 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000236994743 139037485 /nfs/dbraw/zinc/03/74/85/139037485.db2.gz MFMSFRCZIPJNMS-HOTGVXAUSA-N 1 3 330.476 1.651 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)NC[C@@H]3C)cc2)CC1 ZINC000236994743 139037486 /nfs/dbraw/zinc/03/74/86/139037486.db2.gz MFMSFRCZIPJNMS-HOTGVXAUSA-N 1 3 330.476 1.651 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000237196363 139043802 /nfs/dbraw/zinc/04/38/02/139043802.db2.gz XFRXVJFHNZQXLS-CJNGLKHVSA-N 1 3 325.478 1.483 20 0 EDADHO COCCNCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000237196363 139043803 /nfs/dbraw/zinc/04/38/03/139043803.db2.gz XFRXVJFHNZQXLS-CJNGLKHVSA-N 1 3 325.478 1.483 20 0 EDADHO O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@H](N2CCCCC2)C1 ZINC000567382538 306449939 /nfs/dbraw/zinc/44/99/39/306449939.db2.gz JMWDYBLJPOGUQV-SJORKVTESA-N 1 3 331.464 1.508 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237400251 139050173 /nfs/dbraw/zinc/05/01/73/139050173.db2.gz IHIQFAVBMVGODC-MDZRGWNJSA-N 1 3 337.508 1.866 20 0 EDADHO CC(=O)NC1CCC([NH2+]Cc2ccnc(OCCN(C)C)c2)CC1 ZINC000133681871 205375012 /nfs/dbraw/zinc/37/50/12/205375012.db2.gz JOHGCNJJAFCELN-UHFFFAOYSA-N 1 3 334.464 1.559 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000237607414 139055597 /nfs/dbraw/zinc/05/55/97/139055597.db2.gz KOYKBAWSIZVNSP-NUIAMIPMSA-N 1 3 337.508 1.913 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237870094 139062322 /nfs/dbraw/zinc/06/23/22/139062322.db2.gz KCDPQOBIOAOTJG-HKUYNNGSSA-N 1 3 344.503 1.832 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000238001898 139066158 /nfs/dbraw/zinc/06/61/58/139066158.db2.gz KCDPQOBIOAOTJG-IEBWSBKVSA-N 1 3 344.503 1.832 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)NCC2CCN(CCO)CC2)CC1 ZINC000111811526 220194529 /nfs/dbraw/zinc/19/45/29/220194529.db2.gz PFKPGNURQHFSDJ-UHFFFAOYSA-N 1 3 340.512 1.110 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000415246260 304178082 /nfs/dbraw/zinc/17/80/82/304178082.db2.gz RANJCZBIXLYKDW-LJQANCHMSA-N 1 3 344.459 1.289 20 0 EDADHO CN1CCN(CC2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567910433 306466228 /nfs/dbraw/zinc/46/62/28/306466228.db2.gz WRNCGAMFUSGLGN-MSOLQXFVSA-N 1 3 336.524 1.380 20 0 EDADHO CCN1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746351 139119885 /nfs/dbraw/zinc/11/98/85/139119885.db2.gz LDJUCYICVWACSH-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410889190 250395295 /nfs/dbraw/zinc/39/52/95/250395295.db2.gz YDCYCSBOQSRWTK-INIZCTEOSA-N 1 3 340.512 1.118 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000410889190 250395298 /nfs/dbraw/zinc/39/52/98/250395298.db2.gz YDCYCSBOQSRWTK-INIZCTEOSA-N 1 3 340.512 1.118 20 0 EDADHO C[C@H](NC(=O)C1(N)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544001 139208634 /nfs/dbraw/zinc/20/86/34/139208634.db2.gz DLGPPGRXLXABNL-RDJZCZTQSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@H](NC(=O)C1(N)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261544001 139208635 /nfs/dbraw/zinc/20/86/35/139208635.db2.gz DLGPPGRXLXABNL-RDJZCZTQSA-N 1 3 331.460 1.521 20 0 EDADHO COCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC[NH2+]CC1 ZINC000262324511 284802676 /nfs/dbraw/zinc/80/26/76/284802676.db2.gz DBPNUGLTKZJSGB-KRWDZBQOSA-N 1 3 333.476 1.730 20 0 EDADHO O=C(CC[C@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000261759843 139223621 /nfs/dbraw/zinc/22/36/21/139223621.db2.gz HWJPHWNGCGHOIL-HNNXBMFYSA-N 1 3 325.522 1.854 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(-c3ccccc3)no2)C1 ZINC000261786789 139226048 /nfs/dbraw/zinc/22/60/48/139226048.db2.gz YMCXOXPBDGXCSB-HNNXBMFYSA-N 1 3 328.416 1.629 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1CN(C)C ZINC000415460273 304223726 /nfs/dbraw/zinc/22/37/26/304223726.db2.gz YOUHMMGCACNUAG-CZUORRHYSA-N 1 3 332.448 1.239 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C1 ZINC000262064783 139247937 /nfs/dbraw/zinc/24/79/37/139247937.db2.gz OISDOGRMOXBDJB-HIFRSBDPSA-N 1 3 325.478 1.496 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416016642 251048267 /nfs/dbraw/zinc/04/82/67/251048267.db2.gz XDSOVLVIGLTJIF-LBPRGKRZSA-N 1 3 336.358 1.633 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245476 139263177 /nfs/dbraw/zinc/26/31/77/139263177.db2.gz PLQYHJUQIYSECI-QKLQHJQFSA-N 1 3 349.519 1.853 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000417318032 251157675 /nfs/dbraw/zinc/15/76/75/251157675.db2.gz XXBCHMRRLWQWMF-ARFHVFGLSA-N 1 3 326.485 1.255 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000417497139 251180658 /nfs/dbraw/zinc/18/06/58/251180658.db2.gz AJXMCFDMUAIGLE-MRXNPFEDSA-N 1 3 336.480 1.733 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000417495831 251179738 /nfs/dbraw/zinc/17/97/38/251179738.db2.gz VAXZAPVCLGDZDV-XDNAFOTISA-N 1 3 346.475 1.213 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC000417647079 251212258 /nfs/dbraw/zinc/21/22/58/251212258.db2.gz DYALWVGJSJHMJP-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000417719049 251240738 /nfs/dbraw/zinc/24/07/38/251240738.db2.gz WERDMSCPIYJCEP-NVXWUHKLSA-N 1 3 334.464 1.269 20 0 EDADHO C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)CN1CCN(C)CC1 ZINC000417753044 251255909 /nfs/dbraw/zinc/25/59/09/251255909.db2.gz NVIGWSJWKRWQIB-CVEARBPZSA-N 1 3 347.507 1.389 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417800534 251275571 /nfs/dbraw/zinc/27/55/71/251275571.db2.gz BYKFADHDDPUECG-ZBFHGGJFSA-N 1 3 326.485 1.316 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000417805631 251277273 /nfs/dbraw/zinc/27/72/73/251277273.db2.gz HVUVHDHLOABUCI-MRXNPFEDSA-N 1 3 328.501 1.548 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108182 251324310 /nfs/dbraw/zinc/32/43/10/251324310.db2.gz AOJGHPVTSQPPIS-JKSUJKDBSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@H]1CCN(C(=O)NCCCN2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000418112122 251327454 /nfs/dbraw/zinc/32/74/54/251327454.db2.gz HUYJUCGYOMSUBH-ARFHVFGLSA-N 1 3 326.485 1.114 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000417860713 251302238 /nfs/dbraw/zinc/30/22/38/251302238.db2.gz YYWPTBGNZKNFHY-KRWDZBQOSA-N 1 3 346.475 1.195 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000418162662 251350493 /nfs/dbraw/zinc/35/04/93/251350493.db2.gz GMACPRNRTQGFAJ-SFHVURJKSA-N 1 3 346.475 1.696 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418193015 251353033 /nfs/dbraw/zinc/35/30/33/251353033.db2.gz MXKCKXOFTSCJIT-GOEBONIOSA-N 1 3 349.479 1.339 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418382895 251364411 /nfs/dbraw/zinc/36/44/11/251364411.db2.gz IZJDSWJKZKKGDS-WMZOPIPTSA-N 1 3 347.507 1.933 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000418641330 251383014 /nfs/dbraw/zinc/38/30/14/251383014.db2.gz SAWZHPNUSAENAV-IIDMSEBBSA-N 1 3 330.476 1.938 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000262657723 139293741 /nfs/dbraw/zinc/29/37/41/139293741.db2.gz VGSKEHIADJIDEI-QGZVFWFLSA-N 1 3 332.492 1.424 20 0 EDADHO COc1cc(CN2CC[C@H]([NH2+][C@H]3CNCC[C@H]3C)C2)cc(OC)c1 ZINC000422860346 252001335 /nfs/dbraw/zinc/00/13/35/252001335.db2.gz IDBQAUYTYWJWPZ-ALKREAHSSA-N 1 3 333.476 1.866 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2c(C)nn(C)c2OC)CC[NH2+]CC1 ZINC000423056880 252029408 /nfs/dbraw/zinc/02/94/08/252029408.db2.gz YXGCVZWJTQMVKA-CYBMUJFWSA-N 1 3 338.452 1.148 20 0 EDADHO C[C@](CO)(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072288 252034685 /nfs/dbraw/zinc/03/46/85/252034685.db2.gz IXXKPBPMJGTDAH-VNTMZGSJSA-N 1 3 332.488 1.974 20 0 EDADHO COC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000423357085 252052033 /nfs/dbraw/zinc/05/20/33/252052033.db2.gz LLJYYXPZMZJLRM-ICSRJNTNSA-N 1 3 345.487 1.874 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423781335 252069959 /nfs/dbraw/zinc/06/99/59/252069959.db2.gz XGBFMXNLMILAAJ-CYBMUJFWSA-N 1 3 347.488 1.752 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990773 252021687 /nfs/dbraw/zinc/02/16/87/252021687.db2.gz NYRVRERDLCFERP-BBRMVZONSA-N 1 3 338.423 1.770 20 0 EDADHO CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)N(CC)CC ZINC000423993922 252111195 /nfs/dbraw/zinc/11/11/95/252111195.db2.gz BJZPROGSNPVNNR-BRWVUGGUSA-N 1 3 325.497 1.852 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180291 252154706 /nfs/dbraw/zinc/15/47/06/252154706.db2.gz NXCIITUZBPAEHA-SJORKVTESA-N 1 3 325.497 1.853 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471919 252243236 /nfs/dbraw/zinc/24/32/36/252243236.db2.gz DMIPICLIBWNVIW-QXCFHYIPSA-N 1 3 342.487 1.900 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)c1 ZINC000424472379 252244696 /nfs/dbraw/zinc/24/46/96/252244696.db2.gz UYHBSLLGUSERKQ-MRXNPFEDSA-N 1 3 346.475 1.629 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417568823 285032951 /nfs/dbraw/zinc/03/29/51/285032951.db2.gz PLQUKRUHIRPXJZ-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](OC)C(C)C ZINC000342253525 285244328 /nfs/dbraw/zinc/24/43/28/285244328.db2.gz UURFBZAKBFWQQR-IAGOWNOFSA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@H](OC)C(C)C ZINC000342253525 285244329 /nfs/dbraw/zinc/24/43/29/285244329.db2.gz UURFBZAKBFWQQR-IAGOWNOFSA-N 1 3 342.528 1.715 20 0 EDADHO CN(C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1CC([NH3+])C1 ZINC000415794268 304272472 /nfs/dbraw/zinc/27/24/72/304272472.db2.gz VNSBHCKABNTUDS-UHFFFAOYSA-N 1 3 344.459 1.559 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCOC ZINC000341054160 285278708 /nfs/dbraw/zinc/27/87/08/285278708.db2.gz NKKJIWKISQBULK-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCOC ZINC000341054160 285278709 /nfs/dbraw/zinc/27/87/09/285278709.db2.gz NKKJIWKISQBULK-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)C[C@H]1C[NH3+] ZINC000415842599 304280242 /nfs/dbraw/zinc/28/02/42/304280242.db2.gz HNSMMYIHSHRDJI-GDBMZVCRSA-N 1 3 346.475 1.173 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000570683657 306548644 /nfs/dbraw/zinc/54/86/44/306548644.db2.gz ACVFLAPQCVKNOU-KBAYOESNSA-N 1 3 335.492 1.523 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000571044062 306556477 /nfs/dbraw/zinc/55/64/77/306556477.db2.gz QVGCJRZXORCMBC-UHFFFAOYSA-N 1 3 335.448 1.012 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213586 304296353 /nfs/dbraw/zinc/29/63/53/304296353.db2.gz HTZZVJFDZOICOT-WMZOPIPTSA-N 1 3 333.476 1.595 20 0 EDADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@H](C)C1 ZINC000331475132 141035461 /nfs/dbraw/zinc/03/54/61/141035461.db2.gz CZGXOGVMABWMGU-PMPSAXMXSA-N 1 3 333.480 1.069 20 0 EDADHO COC(=O)c1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1C ZINC000331657198 141063132 /nfs/dbraw/zinc/06/31/32/141063132.db2.gz MHOBKUCJSUSTEP-WBVHZDCISA-N 1 3 335.448 1.279 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123068 141267692 /nfs/dbraw/zinc/26/76/92/141267692.db2.gz ASIMQTWSLJHAQG-VZEFYGNVSA-N 1 3 336.480 1.007 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000333379200 141308711 /nfs/dbraw/zinc/30/87/11/141308711.db2.gz NKAARJLQLJCVEV-XHSDSOJGSA-N 1 3 345.491 1.999 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CCN(Cc3cccs3)CC2)C[C@@H]1[NH3+] ZINC000333800647 141384133 /nfs/dbraw/zinc/38/41/33/141384133.db2.gz OAQLSGIGVKQEFV-BBRMVZONSA-N 1 3 336.505 1.949 20 0 EDADHO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340165735 142289407 /nfs/dbraw/zinc/28/94/07/142289407.db2.gz KQJGFHBTILRKSW-MRXNPFEDSA-N 1 3 339.505 1.889 20 0 EDADHO CC[C@@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[NH+](CC)CC ZINC000345429145 143090175 /nfs/dbraw/zinc/09/01/75/143090175.db2.gz JAGRIQMWAQDWJA-INIZCTEOSA-N 1 3 340.512 1.119 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345737947 143127345 /nfs/dbraw/zinc/12/73/45/143127345.db2.gz FPPOWQMHPQMNHB-HUUCEWRRSA-N 1 3 326.485 1.004 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCOC2CCC2)CC1 ZINC000347028204 143273463 /nfs/dbraw/zinc/27/34/63/143273463.db2.gz FXTLHOZAVLDINN-UHFFFAOYSA-N 1 3 339.524 1.972 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cnn(Cc3ccccc3)c2)C1 ZINC000347056452 143277283 /nfs/dbraw/zinc/27/72/83/143277283.db2.gz VIOTUIOBUSPYKN-GOSISDBHSA-N 1 3 341.459 1.218 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369791075 155179125 /nfs/dbraw/zinc/17/91/25/155179125.db2.gz PTRCBNHHXXRFCJ-UHFFFAOYSA-N 1 3 348.491 1.378 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000369791075 155179126 /nfs/dbraw/zinc/17/91/26/155179126.db2.gz PTRCBNHHXXRFCJ-UHFFFAOYSA-N 1 3 348.491 1.378 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCOCC2)C1 ZINC000248994853 286012653 /nfs/dbraw/zinc/01/26/53/286012653.db2.gz OQLVBBQTSORKGJ-SMVLHYPJSA-N 1 3 337.508 1.473 20 0 EDADHO CCOC1CC(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)(N2CCOCC2)C1 ZINC000248994853 286012655 /nfs/dbraw/zinc/01/26/55/286012655.db2.gz OQLVBBQTSORKGJ-SMVLHYPJSA-N 1 3 337.508 1.473 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842859 304351066 /nfs/dbraw/zinc/35/10/66/304351066.db2.gz NRTVYDBHRGLNRL-OKZBNKHCSA-N 1 3 346.475 1.409 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416843313 304351116 /nfs/dbraw/zinc/35/11/16/304351116.db2.gz OKUAVWLGDZNIKZ-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369915603 155230395 /nfs/dbraw/zinc/23/03/95/155230395.db2.gz HKMKDMCFYSYYJH-SFHVURJKSA-N 1 3 349.519 1.966 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000369919331 155232306 /nfs/dbraw/zinc/23/23/06/155232306.db2.gz KWHGTASESDYCJZ-PASDCYSWSA-N 1 3 337.508 1.613 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000369919331 155232308 /nfs/dbraw/zinc/23/23/08/155232308.db2.gz KWHGTASESDYCJZ-PASDCYSWSA-N 1 3 337.508 1.613 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416962516 304355850 /nfs/dbraw/zinc/35/58/50/304355850.db2.gz AKRUKCRWGRITKA-PBHICJAKSA-N 1 3 334.464 1.424 20 0 EDADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930176 155241295 /nfs/dbraw/zinc/24/12/95/155241295.db2.gz XBXGJPNFGLOULT-DLBZAZTESA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC1(N2CCOCC2)CCCC1 ZINC000369930176 155241296 /nfs/dbraw/zinc/24/12/96/155241296.db2.gz XBXGJPNFGLOULT-DLBZAZTESA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000416969700 304357539 /nfs/dbraw/zinc/35/75/39/304357539.db2.gz LDTNIMIIZPJBHP-CABCVRRESA-N 1 3 334.464 1.519 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973843 304358645 /nfs/dbraw/zinc/35/86/45/304358645.db2.gz VYDRJFCZCDEDJO-PBHICJAKSA-N 1 3 334.464 1.424 20 0 EDADHO [NH3+]C[C@@H]1CCCN1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416976435 304359449 /nfs/dbraw/zinc/35/94/49/304359449.db2.gz OCMZJBPPWUIHRL-SFHVURJKSA-N 1 3 330.476 1.826 20 0 EDADHO CCN1CC[C@@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC000355383031 150245737 /nfs/dbraw/zinc/24/57/37/150245737.db2.gz KJSZNLZFJZUPPR-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000573680908 306629550 /nfs/dbraw/zinc/62/95/50/306629550.db2.gz IDCQLQXJLFFAQV-BZSNNMDCSA-N 1 3 336.524 1.247 20 0 EDADHO CCN1CCC(NC(=O)N(CCOC)CC[NH+](CC)CC)CC1 ZINC000356114348 150515678 /nfs/dbraw/zinc/51/56/78/150515678.db2.gz GDAZTXOSYAVWOM-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH+](C)CC1 ZINC000357978135 151219845 /nfs/dbraw/zinc/21/98/45/151219845.db2.gz SFSCXOYVNOQVSI-CYBMUJFWSA-N 1 3 326.510 1.350 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000358286497 151326746 /nfs/dbraw/zinc/32/67/46/151326746.db2.gz BEGYIGWBYKWXDW-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000358286497 151326749 /nfs/dbraw/zinc/32/67/49/151326749.db2.gz BEGYIGWBYKWXDW-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC[C@H]1COc2ccccc2O1 ZINC000358505520 151398516 /nfs/dbraw/zinc/39/85/16/151398516.db2.gz IWMMTLGVJJMESL-HNNXBMFYSA-N 1 3 345.443 1.018 20 0 EDADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417121492 304374529 /nfs/dbraw/zinc/37/45/29/304374529.db2.gz WQEYDULHRGAKGD-UONOGXRCSA-N 1 3 326.510 1.479 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360657641 152142079 /nfs/dbraw/zinc/14/20/79/152142079.db2.gz OTVROXJSMLLSMZ-HLLBOEOZSA-N 1 3 342.553 1.986 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000360657641 152142081 /nfs/dbraw/zinc/14/20/81/152142081.db2.gz OTVROXJSMLLSMZ-HLLBOEOZSA-N 1 3 342.553 1.986 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000360694137 152155549 /nfs/dbraw/zinc/15/55/49/152155549.db2.gz LIYPXIPFMSSQLG-OAHLLOKOSA-N 1 3 342.553 1.797 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000360694137 152155551 /nfs/dbraw/zinc/15/55/51/152155551.db2.gz LIYPXIPFMSSQLG-OAHLLOKOSA-N 1 3 342.553 1.797 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)CC1 ZINC000574042751 306641316 /nfs/dbraw/zinc/64/13/16/306641316.db2.gz CBVMGNKVMKGTQZ-BEFAXECRSA-N 1 3 342.443 1.074 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000363689801 153030281 /nfs/dbraw/zinc/03/02/81/153030281.db2.gz VAGOFHKNPNVRKA-BBWFWOEESA-N 1 3 325.497 1.772 20 0 EDADHO CCN(CC)CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000367390522 154100781 /nfs/dbraw/zinc/10/07/81/154100781.db2.gz QIUNFRNTTVJLOT-UHFFFAOYSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]1 ZINC000417341260 304392635 /nfs/dbraw/zinc/39/26/35/304392635.db2.gz BHEXDPGZETYQMU-GOEBONIOSA-N 1 3 334.464 1.567 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NCCCNCc2cccnc2)CC1 ZINC000417397949 304396399 /nfs/dbraw/zinc/39/63/99/304396399.db2.gz XTAOGDNYPXKIGU-UHFFFAOYSA-N 1 3 347.507 1.983 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333670 157250024 /nfs/dbraw/zinc/25/00/24/157250024.db2.gz VUMFXSXLVXNODO-SFHVURJKSA-N 1 3 336.524 1.204 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585142 157336378 /nfs/dbraw/zinc/33/63/78/157336378.db2.gz NXEKBDBKBGXBHJ-OWYHZJEWSA-N 1 3 345.487 1.862 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585143 157336695 /nfs/dbraw/zinc/33/66/95/157336695.db2.gz NXEKBDBKBGXBHJ-YSHGAJCASA-N 1 3 345.487 1.862 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000417956715 304438141 /nfs/dbraw/zinc/43/81/41/304438141.db2.gz TYSBHKLGJRJKCY-HNNXBMFYSA-N 1 3 349.479 1.292 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000352223239 162059231 /nfs/dbraw/zinc/05/92/31/162059231.db2.gz RAIGTQLYMDGNBJ-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418068686 304454005 /nfs/dbraw/zinc/45/40/05/304454005.db2.gz OOKREOOGKPKZKT-JKSUJKDBSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1ccccc1-n1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000069703404 287252555 /nfs/dbraw/zinc/25/25/55/287252555.db2.gz INVCJGODBGOOGZ-UHFFFAOYSA-N 1 3 343.475 1.746 20 0 EDADHO Cc1cc(F)ccc1CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000088617614 287319607 /nfs/dbraw/zinc/31/96/07/287319607.db2.gz QUQQLYKNQBSSFB-UHFFFAOYSA-N 1 3 338.471 1.811 20 0 EDADHO CO[C@H]1CCC[C@H]1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122723576 222144634 /nfs/dbraw/zinc/14/46/34/222144634.db2.gz AKSBNKVCBYGDSC-SJORKVTESA-N 1 3 338.496 1.412 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123453282 222279618 /nfs/dbraw/zinc/27/96/18/222279618.db2.gz ANCWCKPAWGTFMP-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000237714150 273012175 /nfs/dbraw/zinc/01/21/75/273012175.db2.gz QLYMZFVRQGLNIU-XHSDSOJGSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CNC[C@@H]2CCCO2)C1 ZINC000237714150 273012177 /nfs/dbraw/zinc/01/21/77/273012177.db2.gz QLYMZFVRQGLNIU-XHSDSOJGSA-N 1 3 325.497 1.628 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN(CC)CCO)cc1 ZINC000274605040 268167707 /nfs/dbraw/zinc/16/77/07/268167707.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 1 3 335.492 1.963 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN(CC)CCO)cc1 ZINC000274605040 268167709 /nfs/dbraw/zinc/16/77/09/268167709.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 1 3 335.492 1.963 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189604 273076109 /nfs/dbraw/zinc/07/61/09/273076109.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189604 273076110 /nfs/dbraw/zinc/07/61/10/273076110.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 1 3 330.476 1.854 20 0 EDADHO Cc1oc(-c2ccco2)nc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213358 272918913 /nfs/dbraw/zinc/91/89/13/272918913.db2.gz XRNDQOLERUDZMG-UHFFFAOYSA-N 1 3 348.447 1.737 20 0 EDADHO CN(C)C1(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)Cc2ccccc2C1 ZINC000280802209 273400268 /nfs/dbraw/zinc/40/02/68/273400268.db2.gz KWDHRNFSPFCUJM-XLIONFOSSA-N 1 3 327.472 1.592 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000416999025 276385555 /nfs/dbraw/zinc/38/55/55/276385555.db2.gz XJFQVYHIDFDKCY-MRXNPFEDSA-N 1 3 347.507 1.361 20 0 EDADHO CC(C)(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000417835389 277122855 /nfs/dbraw/zinc/12/28/55/277122855.db2.gz VYWDTXCDSLUPMI-SJORKVTESA-N 1 3 330.476 1.219 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000414935611 277286683 /nfs/dbraw/zinc/28/66/83/277286683.db2.gz BBZQRGNMKKPLSI-XJKSGUPXSA-N 1 3 332.448 1.189 20 0 EDADHO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352676860 277354117 /nfs/dbraw/zinc/35/41/17/277354117.db2.gz URKQKGBSNNTQFK-PQYPPTLTSA-N 1 3 333.476 1.085 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660024 452775181 /nfs/dbraw/zinc/77/51/81/452775181.db2.gz OLHLSRWIFUBLRV-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000418078424 278230059 /nfs/dbraw/zinc/23/00/59/278230059.db2.gz VVMVWRGSSCEZMS-DOTOQJQBSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H](C[NH3+])NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417023880 278249424 /nfs/dbraw/zinc/24/94/24/278249424.db2.gz PMBPHOSLGIDDSH-RDJZCZTQSA-N 1 3 333.480 1.012 20 0 EDADHO CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000417835382 278267428 /nfs/dbraw/zinc/26/74/28/278267428.db2.gz VYWDTXCDSLUPMI-DLBZAZTESA-N 1 3 330.476 1.219 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nccs1 ZINC000337577004 279302092 /nfs/dbraw/zinc/30/20/92/279302092.db2.gz JQYXYWRRLQRFIQ-OAHLLOKOSA-N 1 3 338.521 1.950 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1nccs1 ZINC000337577004 279302094 /nfs/dbraw/zinc/30/20/94/279302094.db2.gz JQYXYWRRLQRFIQ-OAHLLOKOSA-N 1 3 338.521 1.950 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193156 279359071 /nfs/dbraw/zinc/35/90/71/279359071.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 1 3 337.508 1.556 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193156 279359073 /nfs/dbraw/zinc/35/90/73/279359073.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 1 3 337.508 1.556 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417819681 279667399 /nfs/dbraw/zinc/66/73/99/279667399.db2.gz XQTMUTIQDVQUCI-RDJZCZTQSA-N 1 3 340.512 1.693 20 0 EDADHO CCC[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)N(C)C ZINC000288724247 288552319 /nfs/dbraw/zinc/55/23/19/288552319.db2.gz MODPIQCBFVGJGT-MRXNPFEDSA-N 1 3 336.480 1.759 20 0 EDADHO CN(C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174573 289196005 /nfs/dbraw/zinc/19/60/05/289196005.db2.gz XHXGZYNRFBJAHG-YOEHRIQHSA-N 1 3 329.485 1.488 20 0 EDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496174573 289196008 /nfs/dbraw/zinc/19/60/08/289196008.db2.gz XHXGZYNRFBJAHG-YOEHRIQHSA-N 1 3 329.485 1.488 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)[C@@H]2C1 ZINC000353327373 289341507 /nfs/dbraw/zinc/34/15/07/289341507.db2.gz NQHAIDMJRFSARF-IIAWOOMASA-N 1 3 326.510 1.159 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000360737852 289398866 /nfs/dbraw/zinc/39/88/66/289398866.db2.gz NNMLNZQSMCMMGN-HOCLYGCPSA-N 1 3 328.526 1.407 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000360737852 289398869 /nfs/dbraw/zinc/39/88/69/289398869.db2.gz NNMLNZQSMCMMGN-HOCLYGCPSA-N 1 3 328.526 1.407 20 0 EDADHO C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000354556542 289517053 /nfs/dbraw/zinc/51/70/53/289517053.db2.gz SYEHGXFCQWMMJR-BMFZPTHFSA-N 1 3 326.485 1.004 20 0 EDADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344045025 290399960 /nfs/dbraw/zinc/39/99/60/290399960.db2.gz XZDDRONUELVXAK-ROUUACIJSA-N 1 3 340.556 1.839 20 0 EDADHO [NH3+]C[C@@H](CN1CCC[C@@H](C(=O)N2CCNCC2)C1)c1ccc(F)cc1 ZINC000424259598 295241953 /nfs/dbraw/zinc/24/19/53/295241953.db2.gz AMXUKQUTLQBTSZ-SJORKVTESA-N 1 3 348.466 1.012 20 0 EDADHO CC(C)(CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCC1 ZINC000419666196 304655375 /nfs/dbraw/zinc/65/53/75/304655375.db2.gz QAIAPIDEATZFKI-INIZCTEOSA-N 1 3 346.475 1.041 20 0 EDADHO C[C@H](CCNC(=O)C(=O)NC[C@@H](N)c1ccccc1)[NH+]1CCCCC1 ZINC000419702228 304666248 /nfs/dbraw/zinc/66/62/48/304666248.db2.gz ASMVZZLUHHHZKY-NVXWUHKLSA-N 1 3 346.475 1.183 20 0 EDADHO C[C@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1C[NH3+] ZINC000420476594 304763523 /nfs/dbraw/zinc/76/35/23/304763523.db2.gz IPAGQUYVNRTLSP-DZGCQCFKSA-N 1 3 325.478 1.354 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754231 447322380 /nfs/dbraw/zinc/32/23/80/447322380.db2.gz NQKMVOWARHEGMI-ZNMIVQPWSA-N 1 3 346.475 1.566 20 0 EDADHO CN(C)C/C=C/C(=O)NC(C)(C)CCCNC(=O)/C=C/C[NH+](C)C ZINC000294688263 303136288 /nfs/dbraw/zinc/13/62/88/303136288.db2.gz UJOZJDISKSHOPY-AMMQDNIMSA-N 1 3 338.496 1.013 20 0 EDADHO CN(C)C/C=C/C(=O)NCCCC(C)(C)NC(=O)/C=C/C[NH+](C)C ZINC000294688263 303136290 /nfs/dbraw/zinc/13/62/90/303136290.db2.gz UJOZJDISKSHOPY-AMMQDNIMSA-N 1 3 338.496 1.013 20 0 EDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431264 303858947 /nfs/dbraw/zinc/85/89/47/303858947.db2.gz JWPDEZNERQDNRB-CABCVRRESA-N 1 3 329.485 1.942 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022046 304883354 /nfs/dbraw/zinc/88/33/54/304883354.db2.gz GWPYTBWECDPLLD-NWDGAFQWSA-N 1 3 343.830 1.928 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC[C@@H]2CCCO2)[C@H](C)C1 ZINC000430702923 305062845 /nfs/dbraw/zinc/06/28/45/305062845.db2.gz DEXMIPLHERFDDO-IKGGRYGDSA-N 1 3 341.496 1.008 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC[C@@H]2CCCO2)[C@H](C)C1 ZINC000430702923 305062846 /nfs/dbraw/zinc/06/28/46/305062846.db2.gz DEXMIPLHERFDDO-IKGGRYGDSA-N 1 3 341.496 1.008 20 0 EDADHO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1CNCCO1 ZINC000431011682 305072770 /nfs/dbraw/zinc/07/27/70/305072770.db2.gz BSOWNSMQOFSTDV-ZDUSSCGKSA-N 1 3 339.402 1.488 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000431058011 305073948 /nfs/dbraw/zinc/07/39/48/305073948.db2.gz QLYMZFVRQGLNIU-OWCLPIDISA-N 1 3 325.497 1.628 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000431058011 305073949 /nfs/dbraw/zinc/07/39/49/305073949.db2.gz QLYMZFVRQGLNIU-OWCLPIDISA-N 1 3 325.497 1.628 20 0 EDADHO COC1(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062832 305074071 /nfs/dbraw/zinc/07/40/71/305074071.db2.gz UKANYIQTGALDCW-RDJZCZTQSA-N 1 3 331.460 1.707 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000433159801 305102229 /nfs/dbraw/zinc/10/22/29/305102229.db2.gz FVBCBEVVPBAYIV-SFHVURJKSA-N 1 3 333.476 1.490 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385518 305107371 /nfs/dbraw/zinc/10/73/71/305107371.db2.gz BHRQVDRLJLMXLK-HZPDHXFCSA-N 1 3 348.495 1.587 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCOCC(F)(F)F ZINC000436056500 305151614 /nfs/dbraw/zinc/15/16/14/305151614.db2.gz ZCCFLBDCZALCNR-LBPRGKRZSA-N 1 3 325.375 1.275 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440975813 305215543 /nfs/dbraw/zinc/21/55/43/305215543.db2.gz AVSZSEHAXCAGQF-MRXNPFEDSA-N 1 3 341.544 1.288 20 0 EDADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000444377670 305247751 /nfs/dbraw/zinc/24/77/51/305247751.db2.gz XKFDGHQFLQSDCT-HNNXBMFYSA-N 1 3 333.476 1.665 20 0 EDADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000444377670 305247752 /nfs/dbraw/zinc/24/77/52/305247752.db2.gz XKFDGHQFLQSDCT-HNNXBMFYSA-N 1 3 333.476 1.665 20 0 EDADHO Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1C(=O)NC[C@H](C)N(C)C ZINC000448679366 305301162 /nfs/dbraw/zinc/30/11/62/305301162.db2.gz CJDCMNJSFBXOHL-CABCVRRESA-N 1 3 348.491 1.355 20 0 EDADHO Cc1ccc(C(=O)NC[C@@H](C)N(C)C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000448679366 305301163 /nfs/dbraw/zinc/30/11/63/305301163.db2.gz CJDCMNJSFBXOHL-CABCVRRESA-N 1 3 348.491 1.355 20 0 EDADHO CCC[NH2+][C@H](C)C(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449116957 305307111 /nfs/dbraw/zinc/30/71/11/305307111.db2.gz RYKZFKZNJPBNCP-HRCADAONSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000452115046 305383715 /nfs/dbraw/zinc/38/37/15/305383715.db2.gz KQEBFSHRAFTDEB-RBUKOAKNSA-N 1 3 346.519 1.820 20 0 EDADHO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000452115046 305383716 /nfs/dbraw/zinc/38/37/16/305383716.db2.gz KQEBFSHRAFTDEB-RBUKOAKNSA-N 1 3 346.519 1.820 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000471657246 305538138 /nfs/dbraw/zinc/53/81/38/305538138.db2.gz GVMBRNUIKFSKEN-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000515223156 305717395 /nfs/dbraw/zinc/71/73/95/305717395.db2.gz IKSLDTRIMXSCIS-GJZGRUSLSA-N 1 3 347.463 1.310 20 0 EDADHO O=C(CC[NH2+]C1CC1)NCC1(N2CCSCC2)CCCCC1 ZINC000519834198 305776696 /nfs/dbraw/zinc/77/66/96/305776696.db2.gz SPDMKTAFKYTNIN-UHFFFAOYSA-N 1 3 325.522 1.996 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000524930308 305821099 /nfs/dbraw/zinc/82/10/99/305821099.db2.gz MWWFNLDIIBVNAO-SFHVURJKSA-N 1 3 332.492 1.679 20 0 EDADHO CCNC(=O)COc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414933047 447362864 /nfs/dbraw/zinc/36/28/64/447362864.db2.gz WLAIFGDIXJJPIL-CABCVRRESA-N 1 3 335.448 1.570 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000535834525 306017965 /nfs/dbraw/zinc/01/79/65/306017965.db2.gz GGENMPLERFKBGB-IAGOWNOFSA-N 1 3 327.513 1.706 20 0 EDADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000543027390 306060190 /nfs/dbraw/zinc/06/01/90/306060190.db2.gz RNVCSJKAILBFLN-ROUUACIJSA-N 1 3 330.476 1.704 20 0 EDADHO C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000545176063 306081145 /nfs/dbraw/zinc/08/11/45/306081145.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 1 3 346.475 1.017 20 0 EDADHO C[N@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000545176063 306081146 /nfs/dbraw/zinc/08/11/46/306081146.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 1 3 346.475 1.017 20 0 EDADHO CC[C@@H]1CCCC[C@@H]1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545954812 306088411 /nfs/dbraw/zinc/08/84/11/306088411.db2.gz SLNWTXPLSIWHCP-SJORKVTESA-N 1 3 327.513 1.924 20 0 EDADHO Cc1nccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000549902501 306149657 /nfs/dbraw/zinc/14/96/57/306149657.db2.gz XFRVWTZVUUVQNW-UHFFFAOYSA-N 1 3 345.491 1.392 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Cl)c(F)c1 ZINC000550327841 306152286 /nfs/dbraw/zinc/15/22/86/306152286.db2.gz JKQNEIGPEZOPHN-UHFFFAOYSA-N 1 3 345.846 1.810 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2cccc2)ccn1 ZINC000554579256 306195817 /nfs/dbraw/zinc/19/58/17/306195817.db2.gz IVRRDWKIOKVCHQ-UHFFFAOYSA-N 1 3 329.448 1.438 20 0 EDADHO CC(=O)Nc1ccccc1CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000555309571 306201203 /nfs/dbraw/zinc/20/12/03/306201203.db2.gz JTAJQFTXOIGQNE-UHFFFAOYSA-N 1 3 334.464 1.139 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214015 /nfs/dbraw/zinc/21/40/15/306214015.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 1 3 338.540 1.591 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214016 /nfs/dbraw/zinc/21/40/16/306214016.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 1 3 338.540 1.591 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@@H]1C1(O)CC1)c1ccccc1 ZINC000556780313 306217761 /nfs/dbraw/zinc/21/77/61/306217761.db2.gz XRXLQNRDPFPZRB-QZTJIDSGSA-N 1 3 345.487 1.785 20 0 EDADHO COc1cccc([C@H](CNC(=O)N2CCN[C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000557136074 306224856 /nfs/dbraw/zinc/22/48/56/306224856.db2.gz XWVRDAXLVZACNY-YJBOKZPZSA-N 1 3 346.475 1.835 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000414946843 447369713 /nfs/dbraw/zinc/36/97/13/447369713.db2.gz TYZINSHIPBUQQG-WMLDXEAASA-N 1 3 346.475 1.580 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458445449 447372772 /nfs/dbraw/zinc/37/27/72/447372772.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCN1CCCO ZINC000458445449 447372778 /nfs/dbraw/zinc/37/27/78/447372778.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CC[C@H](C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)N(CC)CC ZINC000662942493 453618050 /nfs/dbraw/zinc/61/80/50/453618050.db2.gz IKUMYNKPROWAIA-MRXNPFEDSA-N 1 3 340.512 1.214 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCCC2)cc1 ZINC000415111462 447389700 /nfs/dbraw/zinc/38/97/00/447389700.db2.gz CCUOLIAJBZGVQR-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238378 447404715 /nfs/dbraw/zinc/40/47/15/447404715.db2.gz OCUCSCKJZWBDJB-HNNXBMFYSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458541182 447405726 /nfs/dbraw/zinc/40/57/26/447405726.db2.gz RWZYUEMBBMJGCC-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458541182 447405732 /nfs/dbraw/zinc/40/57/32/447405732.db2.gz RWZYUEMBBMJGCC-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000415300948 447405788 /nfs/dbraw/zinc/40/57/88/447405788.db2.gz SFRHBEQKUOTCLL-OAHLLOKOSA-N 1 3 332.448 1.286 20 0 EDADHO Cc1cc(CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)no1 ZINC000665639450 453778647 /nfs/dbraw/zinc/77/86/47/453778647.db2.gz YWBOKSMBSRRKFU-ZDUSSCGKSA-N 1 3 325.457 1.396 20 0 EDADHO Cc1cc(CN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)no1 ZINC000665639450 453778651 /nfs/dbraw/zinc/77/86/51/453778651.db2.gz YWBOKSMBSRRKFU-ZDUSSCGKSA-N 1 3 325.457 1.396 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000422258824 447428041 /nfs/dbraw/zinc/42/80/41/447428041.db2.gz KOMBRIZNASFYSQ-UYSNPLJNSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000458632902 447432506 /nfs/dbraw/zinc/43/25/06/447432506.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458632902 447432508 /nfs/dbraw/zinc/43/25/08/447432508.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 1 3 334.508 1.985 20 0 EDADHO CCN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000419828435 447436202 /nfs/dbraw/zinc/43/62/02/447436202.db2.gz CVWGSHXHVFWLIL-NVXWUHKLSA-N 1 3 346.475 1.135 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000072996477 441284042 /nfs/dbraw/zinc/28/40/42/441284042.db2.gz OIMXMWLFUAJRBA-LJQANCHMSA-N 1 3 344.503 1.655 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000073427107 441316077 /nfs/dbraw/zinc/31/60/77/441316077.db2.gz VQSJKTNOSPZHSY-QGZVFWFLSA-N 1 3 325.497 1.676 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107283997 441407738 /nfs/dbraw/zinc/40/77/38/441407738.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107283997 441407740 /nfs/dbraw/zinc/40/77/40/441407740.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccn1C ZINC000074922851 441479075 /nfs/dbraw/zinc/47/90/75/441479075.db2.gz FDXYNOCZXUZMQY-QGZVFWFLSA-N 1 3 335.496 1.583 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccn1C ZINC000074922851 441479079 /nfs/dbraw/zinc/47/90/79/441479079.db2.gz FDXYNOCZXUZMQY-QGZVFWFLSA-N 1 3 335.496 1.583 20 0 EDADHO CN(Cc1cccnc1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000109360157 441497192 /nfs/dbraw/zinc/49/71/92/441497192.db2.gz DLJIHEUNLNIBCE-UHFFFAOYSA-N 1 3 345.491 1.782 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000074616569 441450782 /nfs/dbraw/zinc/45/07/82/441450782.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000074616569 441450784 /nfs/dbraw/zinc/45/07/84/441450784.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO CC[C@@H](O)[C@H]1CCCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459812 441658089 /nfs/dbraw/zinc/65/80/89/441658089.db2.gz CYICSDHCEMKJEV-IAGOWNOFSA-N 1 3 325.497 1.601 20 0 EDADHO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041717526 441669621 /nfs/dbraw/zinc/66/96/21/441669621.db2.gz RDJZPTXJTAILPZ-UHFFFAOYSA-N 1 3 334.464 1.533 20 0 EDADHO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041717526 441669626 /nfs/dbraw/zinc/66/96/26/441669626.db2.gz RDJZPTXJTAILPZ-UHFFFAOYSA-N 1 3 334.464 1.533 20 0 EDADHO CCN(C)[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000068515888 441811845 /nfs/dbraw/zinc/81/18/45/441811845.db2.gz AXFSRKNDUZSWOE-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000119868805 441967343 /nfs/dbraw/zinc/96/73/43/441967343.db2.gz UARCJULLVRQUCJ-LEOMRAHMSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cc(F)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1F ZINC000120264614 442037870 /nfs/dbraw/zinc/03/78/70/442037870.db2.gz NVELQUBWWOIWOP-UHFFFAOYSA-N 1 3 344.406 1.931 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144887 /nfs/dbraw/zinc/14/48/87/442144887.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 1 3 338.540 1.638 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144892 /nfs/dbraw/zinc/14/48/92/442144892.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 1 3 338.540 1.638 20 0 EDADHO CC[NH+](CC)CCNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176130437 442180365 /nfs/dbraw/zinc/18/03/65/442180365.db2.gz JBMFNWLOQQVCMA-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO CSCC[C@H](N)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000164609692 442200474 /nfs/dbraw/zinc/20/04/74/442200474.db2.gz BCJWPEOQPMODLF-HNNXBMFYSA-N 1 3 325.478 1.324 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253842 442219708 /nfs/dbraw/zinc/21/97/08/442219708.db2.gz SNLDPKKKMFFYLP-ROUUACIJSA-N 1 3 333.476 1.954 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCOCC2)[C@H](C)C1 ZINC000168289724 442223962 /nfs/dbraw/zinc/22/39/62/442223962.db2.gz VYQQRNWLSNULJU-MSOLQXFVSA-N 1 3 341.540 1.824 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000168749004 442224856 /nfs/dbraw/zinc/22/48/56/442224856.db2.gz CCWYOJWVFSOQOB-UHFFFAOYSA-N 1 3 346.475 1.839 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CNCCO1 ZINC000168708276 442224910 /nfs/dbraw/zinc/22/49/10/442224910.db2.gz DHFDSZSCTLXASJ-ZWKOTPCHSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CNCCO1 ZINC000168708276 442224911 /nfs/dbraw/zinc/22/49/11/442224911.db2.gz DHFDSZSCTLXASJ-ZWKOTPCHSA-N 1 3 331.460 1.345 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000129830259 442333153 /nfs/dbraw/zinc/33/31/53/442333153.db2.gz KTPIEASYPVALRQ-CQSZACIVSA-N 1 3 348.509 1.017 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000129830259 442333155 /nfs/dbraw/zinc/33/31/55/442333155.db2.gz KTPIEASYPVALRQ-CQSZACIVSA-N 1 3 348.509 1.017 20 0 EDADHO COc1cccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000130309411 442343032 /nfs/dbraw/zinc/34/30/32/442343032.db2.gz NSCLEMAAZNIGNV-CRAIPNDOSA-N 1 3 331.460 1.948 20 0 EDADHO CCc1cccc(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130564339 442349775 /nfs/dbraw/zinc/34/97/75/442349775.db2.gz ADLAXHMBOATORW-UHFFFAOYSA-N 1 3 348.491 1.448 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000154967451 442367346 /nfs/dbraw/zinc/36/73/46/442367346.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 1 3 340.512 1.349 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000154967451 442367347 /nfs/dbraw/zinc/36/73/47/442367347.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 1 3 340.512 1.349 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000154997219 442370174 /nfs/dbraw/zinc/37/01/74/442370174.db2.gz XCUGPLAWBKZYPM-SFHVURJKSA-N 1 3 344.503 1.916 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000154997219 442370179 /nfs/dbraw/zinc/37/01/79/442370179.db2.gz XCUGPLAWBKZYPM-SFHVURJKSA-N 1 3 344.503 1.916 20 0 EDADHO CNC(=O)NC(=O)CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178391229 442429421 /nfs/dbraw/zinc/42/94/21/442429421.db2.gz YQVFXLQRAXVGHV-OAHLLOKOSA-N 1 3 338.496 1.809 20 0 EDADHO CNC(=O)NC(=O)CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000178391229 442429424 /nfs/dbraw/zinc/42/94/24/442429424.db2.gz YQVFXLQRAXVGHV-OAHLLOKOSA-N 1 3 338.496 1.809 20 0 EDADHO CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(C(C)C)CC2)ncn1 ZINC000180630506 442637744 /nfs/dbraw/zinc/63/77/44/442637744.db2.gz ZYZIWPGWYQLXBL-MRXNPFEDSA-N 1 3 332.496 1.950 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CNC2CC[NH+](C(C)C)CC2)ncn1 ZINC000180630506 442637746 /nfs/dbraw/zinc/63/77/46/442637746.db2.gz ZYZIWPGWYQLXBL-MRXNPFEDSA-N 1 3 332.496 1.950 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000188202539 442723763 /nfs/dbraw/zinc/72/37/63/442723763.db2.gz AQGYYXFDCIZNGI-HDMKZQKVSA-N 1 3 325.497 1.613 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000188202539 442723764 /nfs/dbraw/zinc/72/37/64/442723764.db2.gz AQGYYXFDCIZNGI-HDMKZQKVSA-N 1 3 325.497 1.613 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000246672749 442800941 /nfs/dbraw/zinc/80/09/41/442800941.db2.gz GKNFLZXXIYLSJW-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000246672749 442800942 /nfs/dbraw/zinc/80/09/42/442800942.db2.gz GKNFLZXXIYLSJW-CABCVRRESA-N 1 3 336.484 1.687 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000265656702 442866374 /nfs/dbraw/zinc/86/63/74/442866374.db2.gz YTGUHVSLVKDOKG-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255446 442919705 /nfs/dbraw/zinc/91/97/05/442919705.db2.gz XXKMDSAFELVDOB-RHSMWYFYSA-N 1 3 331.460 1.840 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268258691 442921736 /nfs/dbraw/zinc/92/17/36/442921736.db2.gz IHPNQSRGKYQQBQ-WMLDXEAASA-N 1 3 346.475 1.404 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000249050631 442947143 /nfs/dbraw/zinc/94/71/43/442947143.db2.gz AQGYYXFDCIZNGI-IIDMSEBBSA-N 1 3 325.497 1.613 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1(C)C ZINC000249050631 442947147 /nfs/dbraw/zinc/94/71/47/442947147.db2.gz AQGYYXFDCIZNGI-IIDMSEBBSA-N 1 3 325.497 1.613 20 0 EDADHO CC[N@H+](C)CCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000194832190 442960435 /nfs/dbraw/zinc/96/04/35/442960435.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO CC[N@@H+](C)CCNC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000194832190 442960441 /nfs/dbraw/zinc/96/04/41/442960441.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 1 3 347.507 1.185 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(SC)CC1 ZINC000195131174 442987767 /nfs/dbraw/zinc/98/77/67/442987767.db2.gz KPLDHAFMZBHQGP-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(SC)CC1 ZINC000195131174 442987771 /nfs/dbraw/zinc/98/77/71/442987771.db2.gz KPLDHAFMZBHQGP-OAHLLOKOSA-N 1 3 342.553 1.940 20 0 EDADHO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(OCCN(C)C)cc1 ZINC000268750711 443097210 /nfs/dbraw/zinc/09/72/10/443097210.db2.gz JMHJFDJUBFUNEE-CQSZACIVSA-N 1 3 343.493 1.217 20 0 EDADHO CC(C)[C@@H](CNC(=O)CNC[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236726693 443145564 /nfs/dbraw/zinc/14/55/64/443145564.db2.gz JCBKWYXUWVTMBG-IAGOWNOFSA-N 1 3 325.497 1.628 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CCN1C ZINC000268807276 443115202 /nfs/dbraw/zinc/11/52/02/443115202.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 1 3 331.508 1.666 20 0 EDADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000268814118 443116323 /nfs/dbraw/zinc/11/63/23/443116323.db2.gz NAOCNIUHGISAQH-MRXNPFEDSA-N 1 3 342.491 1.986 20 0 EDADHO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000268931095 443150450 /nfs/dbraw/zinc/15/04/50/443150450.db2.gz QRQZFUGQCBQVGC-FUHWJXTLSA-N 1 3 335.492 1.998 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CNC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000236863593 443150779 /nfs/dbraw/zinc/15/07/79/443150779.db2.gz DEXMIPLHERFDDO-ULQDDVLXSA-N 1 3 341.496 1.008 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CNC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000236863593 443150783 /nfs/dbraw/zinc/15/07/83/443150783.db2.gz DEXMIPLHERFDDO-ULQDDVLXSA-N 1 3 341.496 1.008 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185680427 443238370 /nfs/dbraw/zinc/23/83/70/443238370.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 1 3 327.517 1.042 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185680427 443238373 /nfs/dbraw/zinc/23/83/73/443238373.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 1 3 327.517 1.042 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CNCCO1 ZINC000382684014 319124661 /nfs/dbraw/zinc/12/46/61/319124661.db2.gz DHFDSZSCTLXASJ-ROUUACIJSA-N 1 3 331.460 1.345 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CNCCO1 ZINC000382684014 319124664 /nfs/dbraw/zinc/12/46/64/319124664.db2.gz DHFDSZSCTLXASJ-ROUUACIJSA-N 1 3 331.460 1.345 20 0 EDADHO CN1CCC(O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397508736 319135356 /nfs/dbraw/zinc/13/53/56/319135356.db2.gz LGIPXHTVCYSPHA-UHFFFAOYSA-N 1 3 341.496 1.680 20 0 EDADHO NC(=O)[C@@]1(O)CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713326 319197962 /nfs/dbraw/zinc/19/79/62/319197962.db2.gz AASQWRSURXDVOK-LJQANCHMSA-N 1 3 331.460 1.485 20 0 EDADHO CC[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000412768261 319240524 /nfs/dbraw/zinc/24/05/24/319240524.db2.gz ACPKDMANQWBKPA-KRWDZBQOSA-N 1 3 333.476 1.470 20 0 EDADHO COC(=O)CCn1nc(C)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000415002974 319344801 /nfs/dbraw/zinc/34/48/01/319344801.db2.gz FGEZPIXFGFNFAW-DOTOQJQBSA-N 1 3 334.464 1.541 20 0 EDADHO COCCN1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185795409 443258718 /nfs/dbraw/zinc/25/87/18/443258718.db2.gz UUSHYYXSZSVLDD-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000415222713 319353483 /nfs/dbraw/zinc/35/34/83/319353483.db2.gz FOJYRILEJCLYON-ZBFHGGJFSA-N 1 3 344.459 1.430 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415889599 319382137 /nfs/dbraw/zinc/38/21/37/319382137.db2.gz BQPDNYVGLDNPIM-UHFFFAOYSA-N 1 3 334.464 1.812 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415999339 319388940 /nfs/dbraw/zinc/38/89/40/319388940.db2.gz VXKLMAFOSCCKRS-ZDUSSCGKSA-N 1 3 332.370 1.827 20 0 EDADHO C[C@H](CN1CCOCC1)[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246138874 443271803 /nfs/dbraw/zinc/27/18/03/443271803.db2.gz RWBMQHMXQMFASX-KURKYZTESA-N 1 3 339.524 1.528 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185813432 443262936 /nfs/dbraw/zinc/26/29/36/443262936.db2.gz YJCPWEJPHXENHB-IRXDYDNUSA-N 1 3 341.544 1.288 20 0 EDADHO C[C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000266958569 443303208 /nfs/dbraw/zinc/30/32/08/443303208.db2.gz ZFGJNZGXUNRFJH-IEBWSBKVSA-N 1 3 344.503 1.607 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1OCCN(C)C ZINC000417371161 319494997 /nfs/dbraw/zinc/49/49/97/319494997.db2.gz VFOUUPPICLFGTC-LSDHHAIUSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@@H]1C[NH3+] ZINC000422552715 319714449 /nfs/dbraw/zinc/71/44/49/319714449.db2.gz IFXVGXFOBCNPLP-YCPHGPKFSA-N 1 3 339.505 1.742 20 0 EDADHO COc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422947460 319740169 /nfs/dbraw/zinc/74/01/69/319740169.db2.gz QEBIPEPKNUCHAP-KSZLIROESA-N 1 3 331.460 1.935 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039974 319749104 /nfs/dbraw/zinc/74/91/04/319749104.db2.gz GKOJGFCWOGGZFR-ABAIWWIYSA-N 1 3 343.830 1.928 20 0 EDADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000423366539 319767500 /nfs/dbraw/zinc/76/75/00/319767500.db2.gz XTGPUNJCUYEVMT-BBRMVZONSA-N 1 3 332.448 1.903 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423421893 319773674 /nfs/dbraw/zinc/77/36/74/319773674.db2.gz BFFBSKZNOSMYPO-SFHVURJKSA-N 1 3 346.519 1.855 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000432509861 319954897 /nfs/dbraw/zinc/95/48/97/319954897.db2.gz OQFWSBCQUASVHZ-QAPCUYQASA-N 1 3 330.476 1.556 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000440225300 320065505 /nfs/dbraw/zinc/06/55/05/320065505.db2.gz IOVHFSWAKJYNCS-IRXDYDNUSA-N 1 3 340.512 1.346 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861346 320084292 /nfs/dbraw/zinc/08/42/92/320084292.db2.gz QNURMCWYODLRNU-GPANFISMSA-N 1 3 326.485 1.127 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000447442906 320141993 /nfs/dbraw/zinc/14/19/93/320141993.db2.gz SUHSFLPLCBFQHX-QZTJIDSGSA-N 1 3 347.503 1.939 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449361387 320184372 /nfs/dbraw/zinc/18/43/72/320184372.db2.gz JGJNNOGHFCDRPX-RDJZCZTQSA-N 1 3 325.497 1.900 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4C[C@H]3CS4)CC2)CC1 ZINC000458129051 320336696 /nfs/dbraw/zinc/33/66/96/320336696.db2.gz NZGHCHXWOCUKBS-HOTGVXAUSA-N 1 3 338.521 1.444 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2CCO)CC1 ZINC000458457509 320337028 /nfs/dbraw/zinc/33/70/28/320337028.db2.gz MPPUAMJZRULLQJ-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CSC1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCN(C)CC1 ZINC000458793420 320341674 /nfs/dbraw/zinc/34/16/74/320341674.db2.gz SLVBISXNCFJFSR-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CSC1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN(C)CC1 ZINC000458793420 320341675 /nfs/dbraw/zinc/34/16/75/320341675.db2.gz SLVBISXNCFJFSR-OAHLLOKOSA-N 1 3 342.553 1.845 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccncc1 ZINC000491348464 320369001 /nfs/dbraw/zinc/36/90/01/320369001.db2.gz FXIVFKZOXNTEPB-LKGOPFMKSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1ccncc1 ZINC000491348464 320369002 /nfs/dbraw/zinc/36/90/02/320369002.db2.gz FXIVFKZOXNTEPB-LKGOPFMKSA-N 1 3 330.476 1.969 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298591641 443809905 /nfs/dbraw/zinc/80/99/05/443809905.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000298591641 443809909 /nfs/dbraw/zinc/80/99/09/443809909.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCCN(C)C)c1 ZINC000288553112 443916590 /nfs/dbraw/zinc/91/65/90/443916590.db2.gz VTNWKSJPXCQBFI-RDJZCZTQSA-N 1 3 346.475 1.721 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000561128813 321034103 /nfs/dbraw/zinc/03/41/03/321034103.db2.gz QUDSKKFSVGUAFJ-IBGZPJMESA-N 1 3 346.475 1.522 20 0 EDADHO CCNC(=O)N1CC[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959346 321083677 /nfs/dbraw/zinc/08/36/77/321083677.db2.gz BESFYHNNDQNSJN-QOKNQOGYSA-N 1 3 344.459 1.636 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000563091523 321094607 /nfs/dbraw/zinc/09/46/07/321094607.db2.gz CCQZVTZNZXIBPF-SFHVURJKSA-N 1 3 348.491 1.613 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000565249478 321179658 /nfs/dbraw/zinc/17/96/58/321179658.db2.gz GNFIMNFLYQHXQA-HNNXBMFYSA-N 1 3 332.448 1.321 20 0 EDADHO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC000566088828 321214094 /nfs/dbraw/zinc/21/40/94/321214094.db2.gz SDQPBSCNUPYYJT-UONOGXRCSA-N 1 3 331.526 1.557 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C[C@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116713 321217303 /nfs/dbraw/zinc/21/73/03/321217303.db2.gz KKQKUOFHYNZFOI-SJLPKXTDSA-N 1 3 334.460 1.517 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000568288198 321286197 /nfs/dbraw/zinc/28/61/97/321286197.db2.gz XBUSLUJPFYPAGM-RTBURBONSA-N 1 3 344.503 1.944 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921509 321331761 /nfs/dbraw/zinc/33/17/61/321331761.db2.gz VSDGGEVRPRPDGQ-HOCLYGCPSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921509 321331763 /nfs/dbraw/zinc/33/17/63/321331763.db2.gz VSDGGEVRPRPDGQ-HOCLYGCPSA-N 1 3 329.444 1.982 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921509 321331765 /nfs/dbraw/zinc/33/17/65/321331765.db2.gz VSDGGEVRPRPDGQ-HOCLYGCPSA-N 1 3 329.444 1.982 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000571439312 321387000 /nfs/dbraw/zinc/38/70/00/321387000.db2.gz CYTRABLZEIQHHI-SFHVURJKSA-N 1 3 335.492 1.620 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(C(N)=O)c1 ZINC000289519559 444163575 /nfs/dbraw/zinc/16/35/75/444163575.db2.gz VIWZUOITVRLNKQ-SFHVURJKSA-N 1 3 332.492 1.633 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(C(N)=O)c1 ZINC000289519559 444163578 /nfs/dbraw/zinc/16/35/78/444163578.db2.gz VIWZUOITVRLNKQ-SFHVURJKSA-N 1 3 332.492 1.633 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)Cn1cccn1 ZINC000310816971 444293006 /nfs/dbraw/zinc/29/30/06/444293006.db2.gz JEQNRQAXAJGVHC-YSTOQKLRSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cn1cccn1 ZINC000310816971 444293009 /nfs/dbraw/zinc/29/30/09/444293009.db2.gz JEQNRQAXAJGVHC-YSTOQKLRSA-N 1 3 340.471 1.744 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cn1cccn1 ZINC000310816971 444293011 /nfs/dbraw/zinc/29/30/11/444293011.db2.gz JEQNRQAXAJGVHC-YSTOQKLRSA-N 1 3 340.471 1.744 20 0 EDADHO CN(C)C[C@H](NC(=O)Nc1ccnn1CC[NH+](C)C)c1ccccc1 ZINC000297517442 444295790 /nfs/dbraw/zinc/29/57/90/444295790.db2.gz VCQBQFSBXOQQPG-INIZCTEOSA-N 1 3 344.463 1.869 20 0 EDADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290589739 444298601 /nfs/dbraw/zinc/29/86/01/444298601.db2.gz OJPAQPSNOXRSHF-OALUTQOASA-N 1 3 327.472 1.967 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000323859982 444347626 /nfs/dbraw/zinc/34/76/26/444347626.db2.gz QZZRVTGUVBFXNH-ATNYBXOESA-N 1 3 325.497 1.611 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325933507 444371272 /nfs/dbraw/zinc/37/12/72/444371272.db2.gz YLEFIZCOJVXFNU-TXPKVOOTSA-N 1 3 337.508 1.900 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)N1CCc2ccccc2C1 ZINC000337794247 444411493 /nfs/dbraw/zinc/41/14/93/444411493.db2.gz DNYNIEIABAUMJA-QYZOEREBSA-N 1 3 345.487 1.692 20 0 EDADHO COCCN1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000580410391 322046650 /nfs/dbraw/zinc/04/66/50/322046650.db2.gz FTYWJKAAZQINBE-ZDUSSCGKSA-N 1 3 336.411 1.314 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000580708764 322084930 /nfs/dbraw/zinc/08/49/30/322084930.db2.gz XGBNMLZJDUBSDQ-PBHICJAKSA-N 1 3 331.460 1.975 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000580951435 322116532 /nfs/dbraw/zinc/11/65/32/322116532.db2.gz SCBYREQFTOKUKK-MOPGFXCFSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122541 /nfs/dbraw/zinc/12/25/41/322122541.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 1 3 345.491 1.106 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188234 322146830 /nfs/dbraw/zinc/14/68/30/322146830.db2.gz UNWJOWVVDCGBLC-GOSISDBHSA-N 1 3 330.476 1.890 20 0 EDADHO C[C@H]1CC2(CN1CC(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000581423861 322175381 /nfs/dbraw/zinc/17/53/81/322175381.db2.gz PSWUQCAZBXGZCR-INIZCTEOSA-N 1 3 331.460 1.646 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccc(OCCN(C)C)cc1 ZINC000581822658 322220745 /nfs/dbraw/zinc/22/07/45/322220745.db2.gz HVEKQUOJSJHECH-LSDHHAIUSA-N 1 3 336.480 1.595 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332312888 444509441 /nfs/dbraw/zinc/50/94/41/444509441.db2.gz TZXQWMHJPQTHDU-JOCBIADPSA-N 1 3 330.476 1.886 20 0 EDADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000332840821 444569882 /nfs/dbraw/zinc/56/98/82/444569882.db2.gz JDRZSHWXKNOEIA-HUUCEWRRSA-N 1 3 338.496 1.269 20 0 EDADHO COCCN1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000338303454 444620541 /nfs/dbraw/zinc/62/05/41/444620541.db2.gz GWDJUAOQLHHFKR-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO N[C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000333288709 444653819 /nfs/dbraw/zinc/65/38/19/444653819.db2.gz OAVJZSXMOCVJDI-HZPDHXFCSA-N 1 3 325.416 1.338 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)[C@H]2C1 ZINC000333306140 444655935 /nfs/dbraw/zinc/65/59/35/444655935.db2.gz KYCQTUXCSVDBFT-MRRJBJDNSA-N 1 3 329.448 1.456 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N2CCC(OCCN(C)C)CC2)CC1 ZINC000341214727 444733724 /nfs/dbraw/zinc/73/37/24/444733724.db2.gz PVXUTBZGIUKOEU-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333942912 444725078 /nfs/dbraw/zinc/72/50/78/444725078.db2.gz QKVZIBJTFRXNHM-GJZGRUSLSA-N 1 3 340.537 1.645 20 0 EDADHO CCN1CCC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000341407573 444814522 /nfs/dbraw/zinc/81/45/22/444814522.db2.gz MXEDBDZNURQUOG-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO COCCN(C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342764437 444854944 /nfs/dbraw/zinc/85/49/44/444854944.db2.gz HRGNUBNWCUAGFR-UHFFFAOYSA-N 1 3 333.476 1.537 20 0 EDADHO COCC[NH+]1CCC(N[C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000342801890 444873151 /nfs/dbraw/zinc/87/31/51/444873151.db2.gz ZZLJKPVPTFJZNM-LJQANCHMSA-N 1 3 335.492 1.998 20 0 EDADHO COCCN1CCC([NH2+][C@H](CN(C)C)c2ccc(OC)cc2)CC1 ZINC000342801890 444873153 /nfs/dbraw/zinc/87/31/53/444873153.db2.gz ZZLJKPVPTFJZNM-LJQANCHMSA-N 1 3 335.492 1.998 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906896 445065359 /nfs/dbraw/zinc/06/53/59/445065359.db2.gz YKYFRDQPYMFLPU-GJYPPUQNSA-N 1 3 345.487 1.977 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337560486 445137641 /nfs/dbraw/zinc/13/76/41/445137641.db2.gz SAOXZZKBLHKGFO-FUHWJXTLSA-N 1 3 345.491 1.782 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337560486 445137645 /nfs/dbraw/zinc/13/76/45/445137645.db2.gz SAOXZZKBLHKGFO-FUHWJXTLSA-N 1 3 345.491 1.782 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374851 445212135 /nfs/dbraw/zinc/21/21/35/445212135.db2.gz UTOVTVUYFIEHLL-MJGOQNOKSA-N 1 3 349.523 1.505 20 0 EDADHO Cc1nc2c(n1[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247251 /nfs/dbraw/zinc/24/72/51/445247251.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CCN(C[C@@H](O)C[N@H+](C)C3CC3)C1)CCCC2 ZINC000351626325 445247254 /nfs/dbraw/zinc/24/72/54/445247254.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626325 445247257 /nfs/dbraw/zinc/24/72/57/445247257.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 1 3 332.492 1.772 20 0 EDADHO Cc1nc2c(n1[C@H]1CC[N@H+](C[C@@H](O)CN(C)C3CC3)C1)CCCC2 ZINC000351626325 445247258 /nfs/dbraw/zinc/24/72/58/445247258.db2.gz FOTNAAGMPZIFBE-IRXDYDNUSA-N 1 3 332.492 1.772 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)N(C)C1 ZINC000347957702 445258291 /nfs/dbraw/zinc/25/82/91/445258291.db2.gz KOXXQMQUPVJPBY-HZPDHXFCSA-N 1 3 340.512 1.469 20 0 EDADHO c1ccc(CN2C[C@@H]3C[N@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259482 /nfs/dbraw/zinc/25/94/82/445259482.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 1 3 341.499 1.913 20 0 EDADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCN4C[C@H]5CC[C@@H](C4)O5)C[C@@H]3C2)cc1 ZINC000348332670 445259484 /nfs/dbraw/zinc/25/94/84/445259484.db2.gz VIBYNPDGXOLVIC-FXELSEDVSA-N 1 3 341.499 1.913 20 0 EDADHO C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348516167 445310684 /nfs/dbraw/zinc/31/06/84/445310684.db2.gz QANHKAZBLZYSDO-GDAAHCPNSA-N 1 3 341.459 1.718 20 0 EDADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640204 445276747 /nfs/dbraw/zinc/27/67/47/445276747.db2.gz LWPQPPSELSTQLA-MOPGFXCFSA-N 1 3 342.487 1.157 20 0 EDADHO CC[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(CC)CC ZINC000343670174 445293228 /nfs/dbraw/zinc/29/32/28/445293228.db2.gz DAKRVSREJUWBQU-DOTOQJQBSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1cccn2c(=O)cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)nc12 ZINC000357079099 445412774 /nfs/dbraw/zinc/41/27/74/445412774.db2.gz COMZIQLNYVZHPE-INIZCTEOSA-N 1 3 326.444 1.824 20 0 EDADHO CCc1nccn1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000362553948 445436130 /nfs/dbraw/zinc/43/61/30/445436130.db2.gz QXHCMAWPTLPPLP-KGLIPLIRSA-N 1 3 342.447 1.723 20 0 EDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000352052213 445459983 /nfs/dbraw/zinc/45/99/83/445459983.db2.gz IZCZMSFGLCWIAI-IRXDYDNUSA-N 1 3 326.529 1.543 20 0 EDADHO COC(=O)c1ccccc1OCCN(C)C1CC[NH+](CCO)CC1 ZINC000360005411 445523830 /nfs/dbraw/zinc/52/38/30/445523830.db2.gz SHGDRNUBIVNCQV-UHFFFAOYSA-N 1 3 336.432 1.241 20 0 EDADHO C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000355994516 445562239 /nfs/dbraw/zinc/56/22/39/445562239.db2.gz XFMAERSBVRHBKW-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)C[C@H](O)COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362932385 445615248 /nfs/dbraw/zinc/61/52/48/445615248.db2.gz WKIQJLWIHUDBSR-KRWDZBQOSA-N 1 3 349.475 1.658 20 0 EDADHO COC[C@@H](C)[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000360152687 445597420 /nfs/dbraw/zinc/59/74/20/445597420.db2.gz WQKPCVSBLSRWKK-CABCVRRESA-N 1 3 325.497 1.580 20 0 EDADHO NC(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000353538684 445648601 /nfs/dbraw/zinc/64/86/01/445648601.db2.gz XYMLQTJHDKEXHF-AWEZNQCLSA-N 1 3 329.366 1.699 20 0 EDADHO CCN1CCC(NC(=O)CN(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000356350656 445747564 /nfs/dbraw/zinc/74/75/64/445747564.db2.gz RDAVEOUNJVWUOM-UHFFFAOYSA-N 1 3 326.529 1.638 20 0 EDADHO CC(C)c1cc(NC2CCN(CC[NH+](C)C)CC2)nc(N(C)C)n1 ZINC000361162117 445750588 /nfs/dbraw/zinc/75/05/88/445750588.db2.gz QZWDRRJWPKDXJY-UHFFFAOYSA-N 1 3 334.512 2.104 20 0 EDADHO CC(C)c1cc(NC2CC[NH+](CCN(C)C)CC2)nc(N(C)C)n1 ZINC000361162117 445750593 /nfs/dbraw/zinc/75/05/93/445750593.db2.gz QZWDRRJWPKDXJY-UHFFFAOYSA-N 1 3 334.512 2.104 20 0 EDADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)CC2 ZINC000361174816 445752073 /nfs/dbraw/zinc/75/20/73/445752073.db2.gz GNQNCAYRXXEITL-QAPCUYQASA-N 1 3 331.460 1.860 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810960 445766859 /nfs/dbraw/zinc/76/68/59/445766859.db2.gz MLZZRCDWEQEFDL-WMZOPIPTSA-N 1 3 335.492 1.478 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825857 /nfs/dbraw/zinc/82/58/57/445825857.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 1 3 330.476 1.856 20 0 EDADHO CN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825860 /nfs/dbraw/zinc/82/58/60/445825860.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 1 3 330.476 1.856 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484992 445783073 /nfs/dbraw/zinc/78/30/73/445783073.db2.gz LQGCEHDRGPNGKF-KRWDZBQOSA-N 1 3 347.503 1.758 20 0 EDADHO C[C@@H](CN(C)CC1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000372942612 445934365 /nfs/dbraw/zinc/93/43/65/445934365.db2.gz CLYTXDQLYGUOQE-HNNXBMFYSA-N 1 3 339.505 1.911 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000582230674 325802913 /nfs/dbraw/zinc/80/29/13/325802913.db2.gz QRFGUXSOJJEPSS-RCCFBDPRSA-N 1 3 330.476 1.977 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@@H+]1C ZINC000359116658 445960273 /nfs/dbraw/zinc/96/02/73/445960273.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 1 3 345.487 1.252 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC[N@H+]1C ZINC000359116658 445960278 /nfs/dbraw/zinc/96/02/78/445960278.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 1 3 345.487 1.252 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000350980365 445963520 /nfs/dbraw/zinc/96/35/20/445963520.db2.gz HQPQPQMNKFWXDA-ARFHVFGLSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000350988425 445966382 /nfs/dbraw/zinc/96/63/82/445966382.db2.gz KKJBGJJMESJHGT-AWEZNQCLSA-N 1 3 328.526 1.597 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057243 445998508 /nfs/dbraw/zinc/99/85/08/445998508.db2.gz JXWAMCVYNHQQRO-PVAVHDDUSA-N 1 3 346.475 1.091 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057243 445998513 /nfs/dbraw/zinc/99/85/13/445998513.db2.gz JXWAMCVYNHQQRO-PVAVHDDUSA-N 1 3 346.475 1.091 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000583386371 326063494 /nfs/dbraw/zinc/06/34/94/326063494.db2.gz UDPYTIFCOZLIPD-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO c1ccc(N2CCC(NCc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)nc1 ZINC000583806984 326142756 /nfs/dbraw/zinc/14/27/56/326142756.db2.gz GNVXBVZWBZNSIS-UHFFFAOYSA-N 1 3 341.463 1.425 20 0 EDADHO c1ccc(N2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[n-]3)CC2)nc1 ZINC000583806984 326142759 /nfs/dbraw/zinc/14/27/59/326142759.db2.gz GNVXBVZWBZNSIS-UHFFFAOYSA-N 1 3 341.463 1.425 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866866 326155126 /nfs/dbraw/zinc/15/51/26/326155126.db2.gz KHDXZGNKSPJYJR-BDXSIMOUSA-N 1 3 341.540 1.557 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866866 326155130 /nfs/dbraw/zinc/15/51/30/326155130.db2.gz KHDXZGNKSPJYJR-BDXSIMOUSA-N 1 3 341.540 1.557 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584290028 326236349 /nfs/dbraw/zinc/23/63/49/326236349.db2.gz XQKWOLGQRSASMT-FDQIELQPSA-N 1 3 335.492 1.367 20 0 EDADHO C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H](N4CCCC4)C3)n2)CC1 ZINC000369619590 446136687 /nfs/dbraw/zinc/13/66/87/446136687.db2.gz BMDVXWKPHUELEH-INIZCTEOSA-N 1 3 346.479 1.852 20 0 EDADHO CC1CCN(C(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000370264937 446203142 /nfs/dbraw/zinc/20/31/42/446203142.db2.gz DRDPVNWDSOVQCH-GOSISDBHSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000365663944 446292902 /nfs/dbraw/zinc/29/29/02/446292902.db2.gz QFUYQCQJKDBNEQ-FVQBIDKESA-N 1 3 329.448 1.889 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000365663944 446292906 /nfs/dbraw/zinc/29/29/06/446292906.db2.gz QFUYQCQJKDBNEQ-FVQBIDKESA-N 1 3 329.448 1.889 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[N@H+](C)C3CCCC3)n2)CC1 ZINC000366801024 446357884 /nfs/dbraw/zinc/35/78/84/446357884.db2.gz VUQHOHOAPPDPBY-UHFFFAOYSA-N 1 3 348.495 2.146 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[N@@H+](C)C3CCCC3)n2)CC1 ZINC000366801024 446357889 /nfs/dbraw/zinc/35/78/89/446357889.db2.gz VUQHOHOAPPDPBY-UHFFFAOYSA-N 1 3 348.495 2.146 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417548460 446364111 /nfs/dbraw/zinc/36/41/11/446364111.db2.gz QTMMHFXIVPUKBX-UHFFFAOYSA-N 1 3 326.485 1.317 20 0 EDADHO O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CNCCC1(F)F ZINC000417703250 446370746 /nfs/dbraw/zinc/37/07/46/446370746.db2.gz JWDBPEYEVXNKIT-CQSZACIVSA-N 1 3 332.439 1.939 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417882728 446375550 /nfs/dbraw/zinc/37/55/50/446375550.db2.gz VJMYCTIJXGUYFG-COXVUDFISA-N 1 3 334.508 1.889 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417907421 446382028 /nfs/dbraw/zinc/38/20/28/446382028.db2.gz FAGOMEWWIQQWAS-KGLIPLIRSA-N 1 3 332.439 1.651 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000417907421 446382035 /nfs/dbraw/zinc/38/20/35/446382035.db2.gz FAGOMEWWIQQWAS-KGLIPLIRSA-N 1 3 332.439 1.651 20 0 EDADHO CCCN(C(=O)NCCN1CCN(C)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000418179935 446448253 /nfs/dbraw/zinc/44/82/53/446448253.db2.gz YBSYKCRJVIJANY-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000417964037 446401677 /nfs/dbraw/zinc/40/16/77/446401677.db2.gz FLVAWVVBSYDRGO-SFHVURJKSA-N 1 3 331.464 1.678 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)CN1 ZINC000417989372 446409273 /nfs/dbraw/zinc/40/92/73/446409273.db2.gz JKYXJRPYELBLLK-IIDMSEBBSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)CN1 ZINC000417989372 446409276 /nfs/dbraw/zinc/40/92/76/446409276.db2.gz JKYXJRPYELBLLK-IIDMSEBBSA-N 1 3 346.475 1.145 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418007765 446413672 /nfs/dbraw/zinc/41/36/72/446413672.db2.gz GOKUKAWGRNZHFH-CVYDXHPNSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418007765 446413675 /nfs/dbraw/zinc/41/36/75/446413675.db2.gz GOKUKAWGRNZHFH-CVYDXHPNSA-N 1 3 330.476 1.899 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCN1CC[NH2+]CC1)N(C)C ZINC000418186398 446452180 /nfs/dbraw/zinc/45/21/80/446452180.db2.gz RUWVMNQLEWFWLB-SJLPKXTDSA-N 1 3 347.507 1.191 20 0 EDADHO CSC1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CCN(C)CC1 ZINC000418203924 446457765 /nfs/dbraw/zinc/45/77/65/446457765.db2.gz WSTOHXZGGBPDGG-CQSZACIVSA-N 1 3 326.510 1.350 20 0 EDADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420306183 446470767 /nfs/dbraw/zinc/47/07/67/446470767.db2.gz AADSASACPGAKFO-KRWDZBQOSA-N 1 3 342.487 1.193 20 0 EDADHO CCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420311786 446475484 /nfs/dbraw/zinc/47/54/84/446475484.db2.gz ROKMFUAJJYSUAJ-QZTJIDSGSA-N 1 3 332.492 1.479 20 0 EDADHO Cc1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313841 446478685 /nfs/dbraw/zinc/47/86/85/446478685.db2.gz JKNOJDXRVSGQEJ-SJLPKXTDSA-N 1 3 330.476 1.779 20 0 EDADHO C[C@H]1CN(CCN(C)C2CC[NH+](CCc3ccncc3)CC2)CCO1 ZINC000367049452 446489636 /nfs/dbraw/zinc/48/96/36/446489636.db2.gz FXWOPOJFADGZJN-SFHVURJKSA-N 1 3 346.519 1.741 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327930 446495592 /nfs/dbraw/zinc/49/55/92/446495592.db2.gz LTLMCKQLAHTFHD-HOTGVXAUSA-N 1 3 349.450 1.642 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc(F)cc1 ZINC000420336401 446506427 /nfs/dbraw/zinc/50/64/27/446506427.db2.gz MHNNFSPFDISXGQ-GASCZTMLSA-N 1 3 335.423 1.252 20 0 EDADHO CCCCCCNC(=O)CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375005691 446509180 /nfs/dbraw/zinc/50/91/80/446509180.db2.gz SOFXNMFKPCDIGJ-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418353408 446510324 /nfs/dbraw/zinc/51/03/24/446510324.db2.gz NJMNSTMWOMVJES-DLBZAZTESA-N 1 3 334.464 1.488 20 0 EDADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339909 446511132 /nfs/dbraw/zinc/51/11/32/446511132.db2.gz ZIORPQLBISIWDW-MELADBBJSA-N 1 3 333.398 1.861 20 0 EDADHO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341814 446513300 /nfs/dbraw/zinc/51/33/00/446513300.db2.gz QHWGLYMAOPLERK-AEGPPILISA-N 1 3 330.432 1.044 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418361455 446515315 /nfs/dbraw/zinc/51/53/15/446515315.db2.gz KYBCWHLJSGIAFO-CGTJXYLNSA-N 1 3 348.491 1.024 20 0 EDADHO CN1CCNC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423528437 446563319 /nfs/dbraw/zinc/56/33/19/446563319.db2.gz WOVCTNWXIQMIHQ-HAGHYFMRSA-N 1 3 328.504 1.675 20 0 EDADHO CN1CCNC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423528437 446563325 /nfs/dbraw/zinc/56/33/25/446563325.db2.gz WOVCTNWXIQMIHQ-HAGHYFMRSA-N 1 3 328.504 1.675 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418493374 446565732 /nfs/dbraw/zinc/56/57/32/446565732.db2.gz WFMNDUQYDAYQSG-PKOBYXMFSA-N 1 3 344.459 1.451 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423404854 446519700 /nfs/dbraw/zinc/51/97/00/446519700.db2.gz ZJNFOCCFIQQEET-INMHGKMJSA-N 1 3 333.480 1.800 20 0 EDADHO C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000423407626 446521970 /nfs/dbraw/zinc/52/19/70/446521970.db2.gz MUSXMHDCZXTVAL-HNNXBMFYSA-N 1 3 344.463 1.267 20 0 EDADHO COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346891 446522169 /nfs/dbraw/zinc/52/21/69/446522169.db2.gz ZJVUGFAQCKLUNN-IAGOWNOFSA-N 1 3 345.487 1.975 20 0 EDADHO CC1(C)CCCN[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423417583 446525526 /nfs/dbraw/zinc/52/55/26/446525526.db2.gz GZZFUYSRTFODDD-INIZCTEOSA-N 1 3 337.508 1.916 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352825 446532158 /nfs/dbraw/zinc/53/21/58/446532158.db2.gz AYBXVOOBTFOWCA-IRXDYDNUSA-N 1 3 332.492 1.383 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428237 446533457 /nfs/dbraw/zinc/53/34/57/446533457.db2.gz OENAXCHGGMSSSN-HUUCEWRRSA-N 1 3 333.480 1.871 20 0 EDADHO Cc1cc(NC(=O)C(=O)N(C)CCN(C)C2CC2)ccc1C[NH+](C)C ZINC000411421111 446533740 /nfs/dbraw/zinc/53/37/40/446533740.db2.gz VIETVFFEZDFNNT-UHFFFAOYSA-N 1 3 346.475 1.548 20 0 EDADHO CCc1nccn1[C@@H]1CCCN(C(=O)CCCN2CCC([NH3+])CC2)C1 ZINC000433144048 446537066 /nfs/dbraw/zinc/53/70/66/446537066.db2.gz AYAPECNWMMJMGW-QGZVFWFLSA-N 1 3 347.507 1.812 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000418453352 446549351 /nfs/dbraw/zinc/54/93/51/446549351.db2.gz OZQQUWMLYDXLFH-IRXDYDNUSA-N 1 3 334.464 1.078 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338104 446556037 /nfs/dbraw/zinc/55/60/37/446556037.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433338104 446556041 /nfs/dbraw/zinc/55/60/41/446556041.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 1 3 328.501 1.518 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530111 446583721 /nfs/dbraw/zinc/58/37/21/446583721.db2.gz ALFJCGSJQRLECH-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1CCN(CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000420412038 446584811 /nfs/dbraw/zinc/58/48/11/446584811.db2.gz RZFHIORUYLXNBF-GOEBONIOSA-N 1 3 332.448 1.319 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000418552266 446590448 /nfs/dbraw/zinc/59/04/48/446590448.db2.gz BQSYFCDKWITSIQ-PBHICJAKSA-N 1 3 334.464 1.883 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418574896 446600810 /nfs/dbraw/zinc/60/08/10/446600810.db2.gz MOOBHSTVJCCZPU-MJGOQNOKSA-N 1 3 346.475 1.065 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418593584 446606511 /nfs/dbraw/zinc/60/65/11/446606511.db2.gz MHGJPICGZPYBMS-HZPDHXFCSA-N 1 3 326.485 1.256 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000418667639 446641385 /nfs/dbraw/zinc/64/13/85/446641385.db2.gz HKJPYZSTDNQTGC-QZTJIDSGSA-N 1 3 348.491 1.613 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@H]1CCCN1CC ZINC000418707280 446654872 /nfs/dbraw/zinc/65/48/72/446654872.db2.gz GGDYBSUOCLGJOS-DLBZAZTESA-N 1 3 333.480 1.815 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCn2cc(CO)nn2)CC1 ZINC000368083682 446631160 /nfs/dbraw/zinc/63/11/60/446631160.db2.gz OGXGWXPAMMRNAV-MAUKXSAKSA-N 1 3 335.496 1.793 20 0 EDADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083682 446631165 /nfs/dbraw/zinc/63/11/65/446631165.db2.gz OGXGWXPAMMRNAV-MAUKXSAKSA-N 1 3 335.496 1.793 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423768064 446694271 /nfs/dbraw/zinc/69/42/71/446694271.db2.gz ZRWPUAIPDVMIFG-OALUTQOASA-N 1 3 344.503 1.185 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000423768064 446694279 /nfs/dbraw/zinc/69/42/79/446694279.db2.gz ZRWPUAIPDVMIFG-OALUTQOASA-N 1 3 344.503 1.185 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000423752269 446681673 /nfs/dbraw/zinc/68/16/73/446681673.db2.gz VWZTYSIHBGGJFQ-OIJIEPSESA-N 1 3 337.508 1.756 20 0 EDADHO CCC(CC)(CNC(=O)C(=O)N(C)CCN)[NH2+][C@H](C)c1ccccc1 ZINC000418960982 446829744 /nfs/dbraw/zinc/82/97/44/446829744.db2.gz JLDCBKXFHNLPBQ-OAHLLOKOSA-N 1 3 348.491 1.429 20 0 EDADHO CS(=O)(=O)CCCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385923 446868370 /nfs/dbraw/zinc/86/83/70/446868370.db2.gz WYDLTJKVUJLFLC-NVXWUHKLSA-N 1 3 338.473 1.657 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)c1 ZINC000419028668 446873840 /nfs/dbraw/zinc/87/38/40/446873840.db2.gz RGFGFGLZPFHJRU-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2CN)c1 ZINC000419028668 446873842 /nfs/dbraw/zinc/87/38/42/446873842.db2.gz RGFGFGLZPFHJRU-KRWDZBQOSA-N 1 3 346.475 1.094 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CN1C1CC1 ZINC000371885229 446972436 /nfs/dbraw/zinc/97/24/36/446972436.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 1 3 332.492 1.737 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CN1C1CC1 ZINC000371885229 446972440 /nfs/dbraw/zinc/97/24/40/446972440.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 1 3 332.492 1.737 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)C1(C)C ZINC000372495837 447088608 /nfs/dbraw/zinc/08/86/08/447088608.db2.gz ISAGCNBVHAZOAW-GGXPGOJBSA-N 1 3 349.450 1.611 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCN2CCC(C)CC2)cc1 ZINC000419415996 447162074 /nfs/dbraw/zinc/16/20/74/447162074.db2.gz VPDFRLGTRAXHPL-OAHLLOKOSA-N 1 3 346.475 1.171 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415492017 447475915 /nfs/dbraw/zinc/47/59/15/447475915.db2.gz SWTDZCMDAXNFOS-INIZCTEOSA-N 1 3 348.491 1.827 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000415492896 447476923 /nfs/dbraw/zinc/47/69/23/447476923.db2.gz XRXFYJPCHAOWOE-INIZCTEOSA-N 1 3 332.448 1.417 20 0 EDADHO C[C@H]1CN(CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426809938 447503034 /nfs/dbraw/zinc/50/30/34/447503034.db2.gz GWFROYDWKSTOKA-HOTGVXAUSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@]1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924634 447506722 /nfs/dbraw/zinc/50/67/22/447506722.db2.gz IWOSQKKZRFTOPL-ICSRJNTNSA-N 1 3 345.487 1.926 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390906466 447507307 /nfs/dbraw/zinc/50/73/07/447507307.db2.gz SCWXMADHZYPSPH-CGTJXYLNSA-N 1 3 331.460 1.392 20 0 EDADHO CS[C@@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H]1N(C)C ZINC000416185827 447534295 /nfs/dbraw/zinc/53/42/95/447534295.db2.gz XILXFTRHEBUJRT-QZTJIDSGSA-N 1 3 347.528 1.939 20 0 EDADHO CS[C@@H]1CN(C(=O)CC[N@H+]2CCc3ccccc3C2)C[C@H]1N(C)C ZINC000416185827 447534301 /nfs/dbraw/zinc/53/43/01/447534301.db2.gz XILXFTRHEBUJRT-QZTJIDSGSA-N 1 3 347.528 1.939 20 0 EDADHO CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])N[C@H](C)c1ccccc1 ZINC000420020528 447550572 /nfs/dbraw/zinc/55/05/72/447550572.db2.gz FRBPKKOXYZYBTM-INMHGKMJSA-N 1 3 348.491 1.332 20 0 EDADHO [NH3+][C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055322 447561215 /nfs/dbraw/zinc/56/12/15/447561215.db2.gz XAQOFFYZWDXBJB-MSOLQXFVSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)C[C@@H]1C[NH3+] ZINC000416826976 447692736 /nfs/dbraw/zinc/69/27/36/447692736.db2.gz CIIABPCQKLLZLQ-NJAFHUGGSA-N 1 3 332.492 1.786 20 0 EDADHO O=C1O[C@]2(CN1CN1CC[C@H]([NH+]3CCCCC3)C1)CN1CCC2CC1 ZINC000495961387 447677987 /nfs/dbraw/zinc/67/79/87/447677987.db2.gz LBIMCCXCRAOKIW-HKUYNNGSSA-N 1 3 348.491 1.421 20 0 EDADHO COCCN1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000457989148 447690961 /nfs/dbraw/zinc/69/09/61/447690961.db2.gz RBMBZIVMKDENEG-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000457989148 447690966 /nfs/dbraw/zinc/69/09/66/447690966.db2.gz RBMBZIVMKDENEG-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@H]2N)s1 ZINC000422714140 447724922 /nfs/dbraw/zinc/72/49/22/447724922.db2.gz KRFTXADGVFFLGV-KGLIPLIRSA-N 1 3 345.534 1.791 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(CCCO)C2)CC1 ZINC000458142932 447726613 /nfs/dbraw/zinc/72/66/13/447726613.db2.gz BPYQIPHEYFQHIK-QGZVFWFLSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H](NCCCCN1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]1 ZINC000422720603 447727326 /nfs/dbraw/zinc/72/73/26/447727326.db2.gz SUKCFLMPBKBPGZ-IAGOWNOFSA-N 1 3 332.496 1.109 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCCN1CCOCC1 ZINC000422736145 447733154 /nfs/dbraw/zinc/73/31/54/447733154.db2.gz XMGCBPVQEGPUEL-MJGOQNOKSA-N 1 3 331.460 1.554 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786614 447750624 /nfs/dbraw/zinc/75/06/24/447750624.db2.gz KWCIKHXHOWQXSN-NWDGAFQWSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C1CNC1 ZINC000422786614 447750627 /nfs/dbraw/zinc/75/06/27/447750627.db2.gz KWCIKHXHOWQXSN-NWDGAFQWSA-N 1 3 332.366 1.934 20 0 EDADHO CCCNC(=O)CN1CCC([NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000422841633 447766326 /nfs/dbraw/zinc/76/63/26/447766326.db2.gz DIYHTDOMPIGNNA-ROUUACIJSA-N 1 3 330.476 1.711 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422841633 447766331 /nfs/dbraw/zinc/76/63/31/447766331.db2.gz DIYHTDOMPIGNNA-ROUUACIJSA-N 1 3 330.476 1.711 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH3+])C1 ZINC000430593894 447782584 /nfs/dbraw/zinc/78/25/84/447782584.db2.gz PTPDKPDDWWRWEB-DOTOQJQBSA-N 1 3 330.476 1.189 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000430791633 447785513 /nfs/dbraw/zinc/78/55/13/447785513.db2.gz NWXNUMDENKGXPA-QGZVFWFLSA-N 1 3 349.450 1.927 20 0 EDADHO CC(C)C(=O)NCCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016063 447791287 /nfs/dbraw/zinc/79/12/87/447791287.db2.gz SGEYZYQYXYRQQP-LPHOPBHVSA-N 1 3 331.460 1.994 20 0 EDADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccn1 ZINC000423023911 447793279 /nfs/dbraw/zinc/79/32/79/447793279.db2.gz KSURIBLKFPKTOR-RCCFBDPRSA-N 1 3 348.491 1.269 20 0 EDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2cccnn2)CC1 ZINC000423077148 447799774 /nfs/dbraw/zinc/79/97/74/447799774.db2.gz SQHNXXUMRACNQK-QAPCUYQASA-N 1 3 325.460 1.994 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423085148 447802172 /nfs/dbraw/zinc/80/21/72/447802172.db2.gz JSLCLJWARDEGBB-RCCFBDPRSA-N 1 3 331.460 1.392 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641280 447839117 /nfs/dbraw/zinc/83/91/17/447839117.db2.gz FHRYKYSZCJXGJA-MAUKXSAKSA-N 1 3 343.512 1.830 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641280 447839119 /nfs/dbraw/zinc/83/91/19/447839119.db2.gz FHRYKYSZCJXGJA-MAUKXSAKSA-N 1 3 343.512 1.830 20 0 EDADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641280 447839121 /nfs/dbraw/zinc/83/91/21/447839121.db2.gz FHRYKYSZCJXGJA-MAUKXSAKSA-N 1 3 343.512 1.830 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)NCCC[NH2+]C1CC1 ZINC000575752548 447890549 /nfs/dbraw/zinc/89/05/49/447890549.db2.gz NMEMCHSVDVOJFW-UHFFFAOYSA-N 1 3 344.503 1.847 20 0 EDADHO CC1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CC[NH2+]CC1 ZINC000569793989 447891205 /nfs/dbraw/zinc/89/12/05/447891205.db2.gz OVMMFOHHYZYPOM-UHFFFAOYSA-N 1 3 345.491 1.987 20 0 EDADHO COCCN1CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000575895836 447924890 /nfs/dbraw/zinc/92/48/90/447924890.db2.gz LPQJHCKUXBLKFF-AWEZNQCLSA-N 1 3 347.463 1.130 20 0 EDADHO C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641772 447931569 /nfs/dbraw/zinc/93/15/69/447931569.db2.gz IWFHWUNVTCTEHQ-MRXNPFEDSA-N 1 3 347.503 1.894 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3noc(C)n3)CC2)CC1 ZINC000553130181 447974993 /nfs/dbraw/zinc/97/49/93/447974993.db2.gz IOBPZFAIFKZWFA-UHFFFAOYSA-N 1 3 335.452 1.191 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530912920 447983574 /nfs/dbraw/zinc/98/35/74/447983574.db2.gz CDVZSNQADPAJKO-NSHGMRRFSA-N 1 3 345.487 1.612 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000576463021 448061786 /nfs/dbraw/zinc/06/17/86/448061786.db2.gz FBCUKMXCAABJTN-ONIAQPFYSA-N 1 3 348.491 1.294 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC000554621032 448044844 /nfs/dbraw/zinc/04/48/44/448044844.db2.gz SRXOGIRCAXVWMW-KRWDZBQOSA-N 1 3 335.448 1.460 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832402 448071922 /nfs/dbraw/zinc/07/19/22/448071922.db2.gz RHUBDAJPKOFEPF-OKYOBFRVSA-N 1 3 342.487 1.302 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832402 448071927 /nfs/dbraw/zinc/07/19/27/448071927.db2.gz RHUBDAJPKOFEPF-OKYOBFRVSA-N 1 3 342.487 1.302 20 0 EDADHO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000576519659 448074007 /nfs/dbraw/zinc/07/40/07/448074007.db2.gz FJDYSYBYQYWRMM-GASCZTMLSA-N 1 3 330.432 1.188 20 0 EDADHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531427309 448083030 /nfs/dbraw/zinc/08/30/30/448083030.db2.gz GCKCRGHEZHQZEQ-OAHLLOKOSA-N 1 3 348.495 1.922 20 0 EDADHO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CCN(C)CC2)C1 ZINC000531427309 448083035 /nfs/dbraw/zinc/08/30/35/448083035.db2.gz GCKCRGHEZHQZEQ-OAHLLOKOSA-N 1 3 348.495 1.922 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000576849241 448156020 /nfs/dbraw/zinc/15/60/20/448156020.db2.gz QGPCQWAOPRWAOI-JKSUJKDBSA-N 1 3 338.496 1.271 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000514932925 448227612 /nfs/dbraw/zinc/22/76/12/448227612.db2.gz NRLBUZVISCYQKH-KBXCAEBGSA-N 1 3 332.444 1.869 20 0 EDADHO C[C@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC000515483325 448319907 /nfs/dbraw/zinc/31/99/07/448319907.db2.gz NBBBNKLFNINFST-DOTOQJQBSA-N 1 3 338.540 1.591 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000582726711 448322608 /nfs/dbraw/zinc/32/26/08/448322608.db2.gz FJCQUYDWLNRIKB-FERZIJSQSA-N 1 3 344.459 1.369 20 0 EDADHO COC(=O)Cn1cc(CCN2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000533010682 448345067 /nfs/dbraw/zinc/34/50/67/448345067.db2.gz YQFZHONEJPZUDY-UHFFFAOYSA-N 1 3 337.468 1.046 20 0 EDADHO COC(=O)Cn1cc(CCN2CCC(C[N@@H+](C)C(C)C)CC2)nn1 ZINC000533010682 448345071 /nfs/dbraw/zinc/34/50/71/448345071.db2.gz YQFZHONEJPZUDY-UHFFFAOYSA-N 1 3 337.468 1.046 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000577642533 448349808 /nfs/dbraw/zinc/34/98/08/448349808.db2.gz KNXHINYQGHCILH-UHFFFAOYSA-N 1 3 346.475 1.583 20 0 EDADHO CN(C)Cc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000566171956 448404392 /nfs/dbraw/zinc/40/43/92/448404392.db2.gz KAWDJPHIMSWJDC-HNNXBMFYSA-N 1 3 328.420 1.517 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000516070448 448375303 /nfs/dbraw/zinc/37/53/03/448375303.db2.gz FBHKALKYTHIGAC-XYVMCAHJSA-N 1 3 330.476 1.796 20 0 EDADHO O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000572615234 448423815 /nfs/dbraw/zinc/42/38/15/448423815.db2.gz UXGFWJIKLOJHEU-IAGOWNOFSA-N 1 3 337.533 1.901 20 0 EDADHO O=C(C[C@H]1CSCCN1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000517098762 448538868 /nfs/dbraw/zinc/53/88/68/448538868.db2.gz MUQXZNJOQDGFDV-NSHDSACASA-N 1 3 326.491 1.644 20 0 EDADHO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CCOC1CNC1 ZINC000584715367 448605164 /nfs/dbraw/zinc/60/51/64/448605164.db2.gz JDQIHTGDPWRNRZ-MJGOQNOKSA-N 1 3 345.487 1.564 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267053 448585550 /nfs/dbraw/zinc/58/55/50/448585550.db2.gz YJGUYUHEMWSTQC-SJORKVTESA-N 1 3 332.496 1.238 20 0 EDADHO C[NH+](C)CC1(C(=O)NCCCN2CCC(O)CC2)CCCCC1 ZINC000573304340 448591921 /nfs/dbraw/zinc/59/19/21/448591921.db2.gz BXAWSGKFRODZAA-UHFFFAOYSA-N 1 3 325.497 1.462 20 0 EDADHO COC1CCN(C2(C[NH2+]C[C@H](O)CN(C)C3CC3)CCCC2)CC1 ZINC000573317338 448595834 /nfs/dbraw/zinc/59/58/34/448595834.db2.gz FPNZBTSTOFIUAQ-KRWDZBQOSA-N 1 3 339.524 1.455 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)[C@@H](C)OC)CC2)CC1 ZINC000573623228 448674639 /nfs/dbraw/zinc/67/46/39/448674639.db2.gz DRAUJKPAMUBGSI-HUUCEWRRSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCCNC1 ZINC000517918525 448628343 /nfs/dbraw/zinc/62/83/43/448628343.db2.gz VZWNWCALICVBJM-NVXWUHKLSA-N 1 3 345.487 1.864 20 0 EDADHO C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000517918525 448628345 /nfs/dbraw/zinc/62/83/45/448628345.db2.gz VZWNWCALICVBJM-NVXWUHKLSA-N 1 3 345.487 1.864 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463975 448699252 /nfs/dbraw/zinc/69/92/52/448699252.db2.gz AGNFKAVIHSFAQT-OAHLLOKOSA-N 1 3 332.448 1.192 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNCCC(=O)Nc2ccccc2)C1 ZINC000567463975 448699258 /nfs/dbraw/zinc/69/92/58/448699258.db2.gz AGNFKAVIHSFAQT-OAHLLOKOSA-N 1 3 332.448 1.192 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNCCC(=O)Nc2ccccc2)C1 ZINC000567463975 448699265 /nfs/dbraw/zinc/69/92/65/448699265.db2.gz AGNFKAVIHSFAQT-OAHLLOKOSA-N 1 3 332.448 1.192 20 0 EDADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000518778989 448710712 /nfs/dbraw/zinc/71/07/12/448710712.db2.gz XSQPGTCZEYUMGK-WMZOPIPTSA-N 1 3 328.497 1.597 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529286058 448807546 /nfs/dbraw/zinc/80/75/46/448807546.db2.gz VYDIOCXQTKWQSV-SJORKVTESA-N 1 3 328.460 1.845 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558576 448900715 /nfs/dbraw/zinc/90/07/15/448900715.db2.gz BYODQBCVPQUGBA-GDBMZVCRSA-N 1 3 339.480 1.251 20 0 EDADHO Cc1cc(NC(=O)NCC2(C)CC[NH2+]CC2)n(C2CCN(C)CC2)n1 ZINC000574620411 448916511 /nfs/dbraw/zinc/91/65/11/448916511.db2.gz IPPOSSZPCJMZAZ-UHFFFAOYSA-N 1 3 348.495 1.969 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000574859659 448971920 /nfs/dbraw/zinc/97/19/20/448971920.db2.gz RUHRWSYVAYDIAI-UHFFFAOYSA-N 1 3 334.464 1.234 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055395 /nfs/dbraw/zinc/05/53/95/449055395.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 1 3 327.472 1.987 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(N3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055398 /nfs/dbraw/zinc/05/53/98/449055398.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 1 3 327.472 1.987 20 0 EDADHO CCOC(=O)c1cccc(C[NH2+]CCCCN2CCN(C)CC2)n1 ZINC000600123034 449202854 /nfs/dbraw/zinc/20/28/54/449202854.db2.gz HMUZEALHFWUSOL-UHFFFAOYSA-N 1 3 334.464 1.376 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000590798580 449298361 /nfs/dbraw/zinc/29/83/61/449298361.db2.gz ZDRVLEXXMBIWNH-UHFFFAOYSA-N 1 3 336.436 1.050 20 0 EDADHO Cc1cccc(C(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000590817507 449306434 /nfs/dbraw/zinc/30/64/34/449306434.db2.gz JDFGIWGLOYCAPA-INIZCTEOSA-N 1 3 348.491 1.065 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000595956387 449280893 /nfs/dbraw/zinc/28/08/93/449280893.db2.gz PZUPQXIHACPRMK-UHFFFAOYSA-N 1 3 337.464 1.052 20 0 EDADHO COC(=O)CCNC(=O)CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000600711620 449511007 /nfs/dbraw/zinc/51/10/07/449511007.db2.gz SOZJULAKIKTAQC-HOTGVXAUSA-N 1 3 333.432 1.139 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc2nccnc21 ZINC000617505257 449652671 /nfs/dbraw/zinc/65/26/71/449652671.db2.gz ZHGSPAHQIKPVSJ-ZDUSSCGKSA-N 1 3 347.438 1.771 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(F)cc2nccnc21 ZINC000617505257 449652675 /nfs/dbraw/zinc/65/26/75/449652675.db2.gz ZHGSPAHQIKPVSJ-ZDUSSCGKSA-N 1 3 347.438 1.771 20 0 EDADHO CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617507245 449655043 /nfs/dbraw/zinc/65/50/43/449655043.db2.gz NWNHVWYHGGEXSC-AWEZNQCLSA-N 1 3 348.491 1.955 20 0 EDADHO CC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617507245 449655050 /nfs/dbraw/zinc/65/50/50/449655050.db2.gz NWNHVWYHGGEXSC-AWEZNQCLSA-N 1 3 348.491 1.955 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000617502101 449644675 /nfs/dbraw/zinc/64/46/75/449644675.db2.gz CBNHQGOASCVWNR-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(-c2ccccc2)cn1 ZINC000617502101 449644681 /nfs/dbraw/zinc/64/46/81/449644681.db2.gz CBNHQGOASCVWNR-INIZCTEOSA-N 1 3 343.475 1.874 20 0 EDADHO Cc1c(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1C ZINC000617502601 449645832 /nfs/dbraw/zinc/64/58/32/449645832.db2.gz VTGAEMHNLZMCIJ-NSHDSACASA-N 1 3 329.876 1.384 20 0 EDADHO Cc1c(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1C ZINC000617502601 449645837 /nfs/dbraw/zinc/64/58/37/449645837.db2.gz VTGAEMHNLZMCIJ-NSHDSACASA-N 1 3 329.876 1.384 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000594924567 449809020 /nfs/dbraw/zinc/80/90/20/449809020.db2.gz JJECSRYPEQHSMJ-RYQLBKOJSA-N 1 3 346.475 1.381 20 0 EDADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000595037904 449846980 /nfs/dbraw/zinc/84/69/80/449846980.db2.gz FGVMOQWXFUECRL-HNNXBMFYSA-N 1 3 327.513 1.970 20 0 EDADHO CN1CCN(CC2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC000615273929 450038997 /nfs/dbraw/zinc/03/89/97/450038997.db2.gz ZGVSKJZLPSEHKU-UHFFFAOYSA-N 1 3 336.524 1.204 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626076449 450569507 /nfs/dbraw/zinc/56/95/07/450569507.db2.gz NCFAWCUKGJANEQ-FDPIWHGQSA-N 1 3 327.472 1.931 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626076449 450569509 /nfs/dbraw/zinc/56/95/09/450569509.db2.gz NCFAWCUKGJANEQ-FDPIWHGQSA-N 1 3 327.472 1.931 20 0 EDADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633086309 450671113 /nfs/dbraw/zinc/67/11/13/450671113.db2.gz PCSCHSSXCQPXJM-OAHLLOKOSA-N 1 3 338.496 1.049 20 0 EDADHO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595358 450754957 /nfs/dbraw/zinc/75/49/57/450754957.db2.gz NFODTEXRWJJLFT-CQSZACIVSA-N 1 3 337.489 1.094 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890173 450851067 /nfs/dbraw/zinc/85/10/67/450851067.db2.gz NBSUPOZRKWJUEA-GUDVDZBRSA-N 1 3 344.503 1.479 20 0 EDADHO O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000631923249 450882086 /nfs/dbraw/zinc/88/20/86/450882086.db2.gz QLHFPRIUCGVXEO-INIZCTEOSA-N 1 3 329.510 1.362 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631993515 450949165 /nfs/dbraw/zinc/94/91/65/450949165.db2.gz SQYHLMJCTNXADB-WBVHZDCISA-N 1 3 337.489 1.511 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631993513 450949665 /nfs/dbraw/zinc/94/96/65/450949665.db2.gz SQYHLMJCTNXADB-NVXWUHKLSA-N 1 3 337.489 1.511 20 0 EDADHO CN(CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957753 /nfs/dbraw/zinc/95/77/53/450957753.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 1 3 331.460 1.354 20 0 EDADHO CN(CC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957760 /nfs/dbraw/zinc/95/77/60/450957760.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 1 3 331.460 1.354 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000626916374 451002443 /nfs/dbraw/zinc/00/24/43/451002443.db2.gz AOTPXSMHQNHMCR-GOSISDBHSA-N 1 3 348.491 1.701 20 0 EDADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000626954669 451032419 /nfs/dbraw/zinc/03/24/19/451032419.db2.gz ILZPPFIBKCFULQ-GOSISDBHSA-N 1 3 348.491 1.563 20 0 EDADHO CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122423 451052750 /nfs/dbraw/zinc/05/27/50/451052750.db2.gz UVLSDJATICFNFT-CVEARBPZSA-N 1 3 329.510 1.218 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570777 451068719 /nfs/dbraw/zinc/06/87/19/451068719.db2.gz LXKZRYKXFARWIX-QGZVFWFLSA-N 1 3 334.508 1.101 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000624946528 451074201 /nfs/dbraw/zinc/07/42/01/451074201.db2.gz XONVBVNTGYFFDH-GVDBMIGSSA-N 1 3 338.496 1.148 20 0 EDADHO [NH3+]CCCOCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000626979281 451048713 /nfs/dbraw/zinc/04/87/13/451048713.db2.gz VWIDGOQYSCGTAI-SFHVURJKSA-N 1 3 348.491 1.878 20 0 EDADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000627072053 451111052 /nfs/dbraw/zinc/11/10/52/451111052.db2.gz YDDQMXAJUFHOKZ-IRXDYDNUSA-N 1 3 334.464 1.176 20 0 EDADHO [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000638100274 451265476 /nfs/dbraw/zinc/26/54/76/451265476.db2.gz XTYCCABFFBVLKJ-QGZVFWFLSA-N 1 3 329.444 1.307 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124303 451293449 /nfs/dbraw/zinc/29/34/49/451293449.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 1 3 332.492 1.387 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000638124303 451293451 /nfs/dbraw/zinc/29/34/51/451293451.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 1 3 332.492 1.387 20 0 EDADHO CN1CCN(CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137391 451310982 /nfs/dbraw/zinc/31/09/82/451310982.db2.gz JSKUKARMWCNEEZ-RBUKOAKNSA-N 1 3 342.487 1.529 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000638195012 451350024 /nfs/dbraw/zinc/35/00/24/451350024.db2.gz AEKSKFZPCFBEFJ-SFHVURJKSA-N 1 3 325.412 1.485 20 0 EDADHO CN(CCCC[NH+]1CCCCC1)CCn1nc2ccccn2c1=O ZINC000640531244 451382868 /nfs/dbraw/zinc/38/28/68/451382868.db2.gz NFTWKBDWLXYQSX-UHFFFAOYSA-N 1 3 331.464 1.694 20 0 EDADHO CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636598743 451339420 /nfs/dbraw/zinc/33/94/20/451339420.db2.gz SGMSPZWVAUMNIN-OAHLLOKOSA-N 1 3 340.512 1.166 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346683 /nfs/dbraw/zinc/34/66/83/451346683.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 1 3 342.487 1.075 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346687 /nfs/dbraw/zinc/34/66/87/451346687.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 1 3 342.487 1.075 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CCN(C)C)c1 ZINC000630816950 451418502 /nfs/dbraw/zinc/41/85/02/451418502.db2.gz NRPMTMOJTOVQDP-OAGGEKHMSA-N 1 3 335.496 1.541 20 0 EDADHO C[C@](O)(C[C@@H](O)CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000634711240 451490779 /nfs/dbraw/zinc/49/07/79/451490779.db2.gz LRLFHDGWTBHDQV-ZCNNSNEGSA-N 1 3 348.487 1.255 20 0 EDADHO C[C@](O)(C[C@@H](O)CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000634711240 451490784 /nfs/dbraw/zinc/49/07/84/451490784.db2.gz LRLFHDGWTBHDQV-ZCNNSNEGSA-N 1 3 348.487 1.255 20 0 EDADHO C[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729536 451510471 /nfs/dbraw/zinc/51/04/71/451510471.db2.gz NZUGDTZPQPQHQA-BBRMVZONSA-N 1 3 340.489 1.238 20 0 EDADHO C[C@@H](CNC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000634729536 451510476 /nfs/dbraw/zinc/51/04/76/451510476.db2.gz NZUGDTZPQPQHQA-BBRMVZONSA-N 1 3 340.489 1.238 20 0 EDADHO COCCCN1CCC([NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638484173 451537254 /nfs/dbraw/zinc/53/72/54/451537254.db2.gz UQZNQOWHLCACLS-UHFFFAOYSA-N 1 3 327.513 1.312 20 0 EDADHO COCCc1ncc(CN[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000631070339 451568660 /nfs/dbraw/zinc/56/86/60/451568660.db2.gz UTRPRBAXICJGOM-CQSZACIVSA-N 1 3 338.521 1.590 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CNC3)CC[C@H]1C(F)(F)F ZINC000638561115 451577898 /nfs/dbraw/zinc/57/78/98/451577898.db2.gz GDIJAJKWNZNEKW-SMDDNHRTSA-N 1 3 327.350 1.889 20 0 EDADHO CN(C)C1(C[NH2+]C2CCN(CC(C)(C)O)CC2)Cc2ccccc2C1 ZINC000638668651 451642231 /nfs/dbraw/zinc/64/22/31/451642231.db2.gz OFLFOXTVAHTWIK-UHFFFAOYSA-N 1 3 345.531 1.911 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672528 451643203 /nfs/dbraw/zinc/64/32/03/451643203.db2.gz VFUNDQCDAMETTO-IDHHARJASA-N 1 3 345.443 1.640 20 0 EDADHO c1ccc(N2CCC(Nc3cc(N4CCNCC4)cc[nH+]3)CC2)nc1 ZINC000635009882 451648658 /nfs/dbraw/zinc/64/86/58/451648658.db2.gz OQJUURPKJHTGKM-UHFFFAOYSA-N 1 3 338.459 1.967 20 0 EDADHO CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(=O)NCCN(C)C ZINC000638818775 451700440 /nfs/dbraw/zinc/70/04/40/451700440.db2.gz SZPYHKCNMFQJAF-JYJNAYRXSA-N 1 3 340.512 1.116 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1CNC1 ZINC000638834740 451705741 /nfs/dbraw/zinc/70/57/41/451705741.db2.gz IAGJJZSRVOELKA-NVXWUHKLSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1CNC1 ZINC000638834740 451705745 /nfs/dbraw/zinc/70/57/45/451705745.db2.gz IAGJJZSRVOELKA-NVXWUHKLSA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1CCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)[C@H](C[NH3+])C1 ZINC000632962096 451671136 /nfs/dbraw/zinc/67/11/36/451671136.db2.gz XEGOOXWVEFXSQB-CJNGLKHVSA-N 1 3 334.468 1.741 20 0 EDADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000639308080 451818148 /nfs/dbraw/zinc/81/81/48/451818148.db2.gz LEBMMUZLGRXUOE-LZQZEXGQSA-N 1 3 345.487 1.790 20 0 EDADHO O=S1(=O)CCCN1CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000639358056 451843106 /nfs/dbraw/zinc/84/31/06/451843106.db2.gz FTOQUVIPGOZAAB-UHFFFAOYSA-N 1 3 338.477 1.066 20 0 EDADHO [NH3+][C@H](CCC(=O)Nc1nc(N2CCNCC2)n[nH]1)CC1CCCCC1 ZINC000646801469 451849382 /nfs/dbraw/zinc/84/93/82/451849382.db2.gz HUPSCWCFTTWBCW-CQSZACIVSA-N 1 3 349.483 1.231 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(N)CCN(C)C2)cc1 ZINC000649288271 451962181 /nfs/dbraw/zinc/96/21/81/451962181.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 1 3 344.503 1.710 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@]2(N)CCN(C)C2)cc1 ZINC000649288271 451962185 /nfs/dbraw/zinc/96/21/85/451962185.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 1 3 344.503 1.710 20 0 EDADHO CC1(OCC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[NH2+]C1 ZINC000649293654 451968973 /nfs/dbraw/zinc/96/89/73/451968973.db2.gz CHFGNXWEXLGMAE-KRWDZBQOSA-N 1 3 331.460 1.708 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000649313816 451991659 /nfs/dbraw/zinc/99/16/59/451991659.db2.gz YPQHQOFRNQLNGY-CWRNSKLLSA-N 1 3 344.459 1.320 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000642976688 452005038 /nfs/dbraw/zinc/00/50/38/452005038.db2.gz MTJKYYYIGNGFMK-RHSMWYFYSA-N 1 3 344.459 1.019 20 0 EDADHO CN1CCN(CCCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651676724 452007684 /nfs/dbraw/zinc/00/76/84/452007684.db2.gz KPOIQLXSTCCYOS-UHFFFAOYSA-N 1 3 328.464 1.385 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000649352619 452037554 /nfs/dbraw/zinc/03/75/54/452037554.db2.gz ADGSJYPDLQQNQC-SFHVURJKSA-N 1 3 344.503 1.301 20 0 EDADHO NC[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078560 452047128 /nfs/dbraw/zinc/04/71/28/452047128.db2.gz BBKFXMBJYONOCZ-GDBMZVCRSA-N 1 3 335.423 1.082 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649378636 452051526 /nfs/dbraw/zinc/05/15/26/452051526.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 1 3 336.524 1.523 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649378636 452051529 /nfs/dbraw/zinc/05/15/29/452051529.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 1 3 336.524 1.523 20 0 EDADHO OC[C@@H](c1ccc(Cl)cc1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000649413187 452076356 /nfs/dbraw/zinc/07/63/56/452076356.db2.gz ORXNAQLHCSUENT-QAPCUYQASA-N 1 3 337.895 1.991 20 0 EDADHO Cn1ccc(N2CCC[C@H](N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418268 452079984 /nfs/dbraw/zinc/07/99/84/452079984.db2.gz RFNBRNUZZUCHIE-ZACQAIPSSA-N 1 3 345.491 1.627 20 0 EDADHO CN1CCN(Cc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151446 452091157 /nfs/dbraw/zinc/09/11/57/452091157.db2.gz GGTWOYDDARZDSV-INIZCTEOSA-N 1 3 327.432 1.909 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637862193 452118862 /nfs/dbraw/zinc/11/88/62/452118862.db2.gz LTTGNFVAPHBOBS-AWEZNQCLSA-N 1 3 345.447 1.128 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462978 452234705 /nfs/dbraw/zinc/23/47/05/452234705.db2.gz VFVMNIAJDCYXLF-PCBIJLKTSA-N 1 3 325.403 1.885 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643488566 452257660 /nfs/dbraw/zinc/25/76/60/452257660.db2.gz LVAJCJUYVPRWBO-SIXWZSSISA-N 1 3 329.444 1.889 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)C[C@H]21 ZINC000641786321 452259807 /nfs/dbraw/zinc/25/98/07/452259807.db2.gz MALJFDMRGDWOTA-DDBAPUKQSA-N 1 3 328.460 1.642 20 0 EDADHO O=C(NC1CC1)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541268 452275527 /nfs/dbraw/zinc/27/55/27/452275527.db2.gz VPPUHSWRDXXCPQ-GOSISDBHSA-N 1 3 328.460 1.058 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443048 452291387 /nfs/dbraw/zinc/29/13/87/452291387.db2.gz WYLDUAFQLFQYLO-PSPFXIJKSA-N 1 3 328.460 1.955 20 0 EDADHO CCN1CCCN(c2cnc(N3CCC[N@H+](CC)CC3)cn2)CC1 ZINC000663578793 452301924 /nfs/dbraw/zinc/30/19/24/452301924.db2.gz MUQXWFCKTMRWKA-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CCN1CCCN(c2cnc(N3CCC[N@@H+](CC)CC3)cn2)CC1 ZINC000663578793 452301929 /nfs/dbraw/zinc/30/19/29/452301929.db2.gz MUQXWFCKTMRWKA-UHFFFAOYSA-N 1 3 332.496 1.541 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000665745617 452314597 /nfs/dbraw/zinc/31/45/97/452314597.db2.gz KCNHRIIOWACNFX-JONQDZQNSA-N 1 3 340.512 1.068 20 0 EDADHO CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000665745617 452314605 /nfs/dbraw/zinc/31/46/05/452314605.db2.gz KCNHRIIOWACNFX-JONQDZQNSA-N 1 3 340.512 1.068 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)N(C)C)cc1 ZINC000638048942 452317553 /nfs/dbraw/zinc/31/75/53/452317553.db2.gz ARXVZWBQZDAJIS-MJGOQNOKSA-N 1 3 333.476 1.723 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)N(C)C)cc1 ZINC000638050711 452323537 /nfs/dbraw/zinc/32/35/37/452323537.db2.gz RDLNYBWWWPVWCS-AOIWGVFYSA-N 1 3 333.476 1.735 20 0 EDADHO CCN(Cc1ccccn1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665760000 452332107 /nfs/dbraw/zinc/33/21/07/452332107.db2.gz WDUQTTNTUPQVGW-INIZCTEOSA-N 1 3 335.496 1.885 20 0 EDADHO CCN(Cc1ccccn1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665760000 452332116 /nfs/dbraw/zinc/33/21/16/452332116.db2.gz WDUQTTNTUPQVGW-INIZCTEOSA-N 1 3 335.496 1.885 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484190 452344226 /nfs/dbraw/zinc/34/42/26/452344226.db2.gz PJJHBFXAWSNTLS-KGXSXCIVSA-N 1 3 342.487 1.948 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000659485185 452346786 /nfs/dbraw/zinc/34/67/86/452346786.db2.gz KKWFJHTULVHYAZ-WBVHZDCISA-N 1 3 334.464 1.185 20 0 EDADHO CC[C@H]1CN(CC)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665763799 452349481 /nfs/dbraw/zinc/34/94/81/452349481.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 1 3 341.544 1.384 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC1(C)C ZINC000665764996 452352083 /nfs/dbraw/zinc/35/20/83/452352083.db2.gz XEJLITVYMRUYNG-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCOC1(C)C ZINC000665764996 452352090 /nfs/dbraw/zinc/35/20/90/452352090.db2.gz XEJLITVYMRUYNG-GJZGRUSLSA-N 1 3 328.501 1.373 20 0 EDADHO COc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596947 452366281 /nfs/dbraw/zinc/36/62/81/452366281.db2.gz PQTMSJUBYHBKPI-GOSISDBHSA-N 1 3 327.428 1.947 20 0 EDADHO COc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596947 452366290 /nfs/dbraw/zinc/36/62/90/452366290.db2.gz PQTMSJUBYHBKPI-GOSISDBHSA-N 1 3 327.428 1.947 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174515 452368492 /nfs/dbraw/zinc/36/84/92/452368492.db2.gz WOSZHNGYVNVYQD-XDNAFOTISA-N 1 3 346.475 1.437 20 0 EDADHO C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069448 452374362 /nfs/dbraw/zinc/37/43/62/452374362.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 1 3 332.492 1.294 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H](N)CN(C)Cc2ccccc2)C1 ZINC000638069448 452374368 /nfs/dbraw/zinc/37/43/68/452374368.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 1 3 332.492 1.294 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000659513908 452377162 /nfs/dbraw/zinc/37/71/62/452377162.db2.gz MCMHCZUWNHYDDJ-SJLPKXTDSA-N 1 3 346.475 1.052 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H](N)c2ccccc2)CCO1 ZINC000659520454 452382894 /nfs/dbraw/zinc/38/28/94/452382894.db2.gz QIDGVVMCUQEAEW-SJORKVTESA-N 1 3 334.464 1.439 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(COC)CCCCN2)c1 ZINC000638078658 452393219 /nfs/dbraw/zinc/39/32/19/452393219.db2.gz DYSJUZUAGLHHAS-IBGZPJMESA-N 1 3 333.476 1.913 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(COC)CCCCN2)c1 ZINC000638078658 452393229 /nfs/dbraw/zinc/39/32/29/452393229.db2.gz DYSJUZUAGLHHAS-IBGZPJMESA-N 1 3 333.476 1.913 20 0 EDADHO COC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCCCN1 ZINC000638077852 452393559 /nfs/dbraw/zinc/39/35/59/452393559.db2.gz BSPMPKUPKWAEBT-NXHRZFHOSA-N 1 3 325.497 1.772 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000654351216 452400467 /nfs/dbraw/zinc/40/04/67/452400467.db2.gz CWWFGCOPTWDUQZ-OKZBNKHCSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345521 452520651 /nfs/dbraw/zinc/52/06/51/452520651.db2.gz DFWJENRLFSVJKR-ADHGMGHFSA-N 1 3 337.508 1.709 20 0 EDADHO CCC(CC)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346917 452522936 /nfs/dbraw/zinc/52/29/36/452522936.db2.gz LJRYJSLRHVRYKW-JKQORVJESA-N 1 3 325.497 1.898 20 0 EDADHO C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000663849529 452576714 /nfs/dbraw/zinc/57/67/14/452576714.db2.gz SEXQVRGYQKOMNH-QGZVFWFLSA-N 1 3 341.544 1.290 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCc3c(nnn3C)C2)cc1 ZINC000655841337 452604164 /nfs/dbraw/zinc/60/41/64/452604164.db2.gz BJFANBRZFMQKIW-HNNXBMFYSA-N 1 3 329.448 1.403 20 0 EDADHO CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659714569 452605169 /nfs/dbraw/zinc/60/51/69/452605169.db2.gz XXJXDCNAZJFOSK-OAHLLOKOSA-N 1 3 338.496 1.014 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659726283 452621074 /nfs/dbraw/zinc/62/10/74/452621074.db2.gz CALFPECEYPMKFP-MRXNPFEDSA-N 1 3 346.475 1.011 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000652460613 452656475 /nfs/dbraw/zinc/65/64/75/452656475.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000652460613 452656482 /nfs/dbraw/zinc/65/64/82/452656482.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000655912839 452670335 /nfs/dbraw/zinc/67/03/35/452670335.db2.gz RBSWNTDCUUXYPT-CHWSQXEVSA-N 1 3 332.370 1.348 20 0 EDADHO c1cnc2nc(C3CCN(CCN4CC[NH2+]CC4)CC3)ccc2c1 ZINC000655946739 452720014 /nfs/dbraw/zinc/72/00/14/452720014.db2.gz MQIRSHVLQXQIKZ-UHFFFAOYSA-N 1 3 325.460 1.714 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655959190 452739599 /nfs/dbraw/zinc/73/95/99/452739599.db2.gz QQABMBLKQBMDAC-IAGOWNOFSA-N 1 3 344.459 1.525 20 0 EDADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CC[C@H](O)C3)cc2)CCOCC1 ZINC000658135801 452746732 /nfs/dbraw/zinc/74/67/32/452746732.db2.gz FGBMBDVVAXFEJS-LPHOPBHVSA-N 1 3 348.487 1.927 20 0 EDADHO COCc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ncn1 ZINC000666381004 452823842 /nfs/dbraw/zinc/82/38/42/452823842.db2.gz JWDLROAXVDMSFU-ZDUSSCGKSA-N 1 3 338.456 1.017 20 0 EDADHO COCc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncn1 ZINC000666381004 452823847 /nfs/dbraw/zinc/82/38/47/452823847.db2.gz JWDLROAXVDMSFU-ZDUSSCGKSA-N 1 3 338.456 1.017 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CCCc3nc(C)no3)CC2)CC1 ZINC000645929117 452903997 /nfs/dbraw/zinc/90/39/97/452903997.db2.gz SBOHVOGAMKXJQU-UHFFFAOYSA-N 1 3 335.496 1.803 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CCCc3nc(C)no3)CC2)CC1 ZINC000645929117 452904006 /nfs/dbraw/zinc/90/40/06/452904006.db2.gz SBOHVOGAMKXJQU-UHFFFAOYSA-N 1 3 335.496 1.803 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCCc3nc(C)no3)CC2)CC1 ZINC000645929117 452904015 /nfs/dbraw/zinc/90/40/15/452904015.db2.gz SBOHVOGAMKXJQU-UHFFFAOYSA-N 1 3 335.496 1.803 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C1 ZINC000646003178 452998841 /nfs/dbraw/zinc/99/88/41/452998841.db2.gz VNXWVSXGEQJFPR-SFHVURJKSA-N 1 3 328.460 1.142 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c(c3)CNC4)CC2)C1 ZINC000646003178 452998847 /nfs/dbraw/zinc/99/88/47/452998847.db2.gz VNXWVSXGEQJFPR-SFHVURJKSA-N 1 3 328.460 1.142 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664410633 453072993 /nfs/dbraw/zinc/07/29/93/453072993.db2.gz YBJURFWXJJCNRH-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO NCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000666815843 453163913 /nfs/dbraw/zinc/16/39/13/453163913.db2.gz JGHYMAXWVIPSQN-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[N@@H+]1C ZINC000648769595 453247264 /nfs/dbraw/zinc/24/72/64/453247264.db2.gz BPKGJDPJXUIHMN-CRAIPNDOSA-N 1 3 333.476 1.626 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)CC[N@H+]1C ZINC000648769595 453247271 /nfs/dbraw/zinc/24/72/71/453247271.db2.gz BPKGJDPJXUIHMN-CRAIPNDOSA-N 1 3 333.476 1.626 20 0 EDADHO COc1cccc([C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N2CCCC2)c1 ZINC000653105937 453287668 /nfs/dbraw/zinc/28/76/68/453287668.db2.gz NUAHXPUQEAFGLC-MSOLQXFVSA-N 1 3 348.491 1.227 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646290734 453291544 /nfs/dbraw/zinc/29/15/44/453291544.db2.gz DBMDBISVERPZMA-KRWDZBQOSA-N 1 3 328.460 1.804 20 0 EDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662567185 453294139 /nfs/dbraw/zinc/29/41/39/453294139.db2.gz IQXMRMRQAGXROT-DOXZYTNZSA-N 1 3 341.455 1.987 20 0 EDADHO CN(C(=O)[C@H](N)CC[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC000653117765 453306866 /nfs/dbraw/zinc/30/68/66/453306866.db2.gz VMJXYSITMIRAHN-GOSISDBHSA-N 1 3 332.492 1.388 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc4c(s3)CCNC4)C2)C1 ZINC000662583813 453310837 /nfs/dbraw/zinc/31/08/37/453310837.db2.gz WTDBTCYCAKZIIR-BPLDGKMQSA-N 1 3 349.500 1.752 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338148 453329539 /nfs/dbraw/zinc/32/95/39/453329539.db2.gz CBVDVGARPNIOPD-KSZLIROESA-N 1 3 328.460 1.504 20 0 EDADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc2c1CNC2 ZINC000662614615 453333493 /nfs/dbraw/zinc/33/34/93/453333493.db2.gz SOMSHLDACJIIFA-UHFFFAOYSA-N 1 3 343.471 1.911 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000655246304 453370246 /nfs/dbraw/zinc/37/02/46/453370246.db2.gz HABVIOWXLWCMKX-OKZBNKHCSA-N 1 3 330.476 1.750 20 0 EDADHO CCN(C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000664758951 453383223 /nfs/dbraw/zinc/38/32/23/453383223.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)[C@H]1CCN(CC)C1 ZINC000664758951 453383231 /nfs/dbraw/zinc/38/32/31/453383231.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662680397 453400870 /nfs/dbraw/zinc/40/08/70/453400870.db2.gz TVFQIUDKLQXAAC-SQNIBIBYSA-N 1 3 331.460 1.303 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(CN)c1 ZINC000667099624 453404658 /nfs/dbraw/zinc/40/46/58/453404658.db2.gz JNRJUECSRYLQPW-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662694316 453414405 /nfs/dbraw/zinc/41/44/05/453414405.db2.gz OXXQQFAVXWWXAV-LSDHHAIUSA-N 1 3 334.468 1.053 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694767 453416125 /nfs/dbraw/zinc/41/61/25/453416125.db2.gz CJJNRKRDEHRKTD-OWCLPIDISA-N 1 3 348.495 1.443 20 0 EDADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422196 /nfs/dbraw/zinc/42/21/96/453422196.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 1 3 345.487 1.810 20 0 EDADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422207 /nfs/dbraw/zinc/42/22/07/453422207.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 1 3 345.487 1.810 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000662742606 453469972 /nfs/dbraw/zinc/46/99/72/453469972.db2.gz FQHJDFYDZUCBQI-QGZVFWFLSA-N 1 3 346.475 1.183 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H]1c1cccs1 ZINC000662746965 453476071 /nfs/dbraw/zinc/47/60/71/453476071.db2.gz ZOGLBUYSGCOFTK-NYTXWWLZSA-N 1 3 337.489 1.611 20 0 EDADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000662747737 453476333 /nfs/dbraw/zinc/47/63/33/453476333.db2.gz DCEQUFNCQAEGJE-SFHVURJKSA-N 1 3 345.487 1.648 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655446910 453533791 /nfs/dbraw/zinc/53/37/91/453533791.db2.gz NBZAUJCLFPYRDV-AZUAARDMSA-N 1 3 345.487 1.675 20 0 EDADHO CCn1cc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000665055205 453557843 /nfs/dbraw/zinc/55/78/43/453557843.db2.gz ITQXWUXADASMOP-GJZGRUSLSA-N 1 3 338.500 1.535 20 0 EDADHO CCn1cc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000665055205 453557852 /nfs/dbraw/zinc/55/78/52/453557852.db2.gz ITQXWUXADASMOP-GJZGRUSLSA-N 1 3 338.500 1.535 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659033558 453590148 /nfs/dbraw/zinc/59/01/48/453590148.db2.gz JNWQSFVGDAJYQD-QGZVFWFLSA-N 1 3 341.415 1.398 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000660829455 453592538 /nfs/dbraw/zinc/59/25/38/453592538.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)CN2CCN(CC)CC2)C1 ZINC000660829455 453592541 /nfs/dbraw/zinc/59/25/41/453592541.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660841705 453600352 /nfs/dbraw/zinc/60/03/52/453600352.db2.gz QSHZABIJLZKMAJ-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000660841705 453600354 /nfs/dbraw/zinc/60/03/54/453600354.db2.gz QSHZABIJLZKMAJ-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660866584 453623225 /nfs/dbraw/zinc/62/32/25/453623225.db2.gz PFOOSGJOIWBQEC-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660866584 453623230 /nfs/dbraw/zinc/62/32/30/453623230.db2.gz PFOOSGJOIWBQEC-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659089987 453624833 /nfs/dbraw/zinc/62/48/33/453624833.db2.gz GSOSBMFJJLBKLF-AWEZNQCLSA-N 1 3 346.475 1.581 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659089987 453624837 /nfs/dbraw/zinc/62/48/37/453624837.db2.gz GSOSBMFJJLBKLF-AWEZNQCLSA-N 1 3 346.475 1.581 20 0 EDADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255578 453627142 /nfs/dbraw/zinc/62/71/42/453627142.db2.gz XBIXRJANDRVRLU-FXECBMLZSA-N 1 3 333.476 1.497 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255578 453627145 /nfs/dbraw/zinc/62/71/45/453627145.db2.gz XBIXRJANDRVRLU-FXECBMLZSA-N 1 3 333.476 1.497 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)cc1 ZINC000659096076 453629165 /nfs/dbraw/zinc/62/91/65/453629165.db2.gz KSGYGKXCQCGVSH-DOMZBBRYSA-N 1 3 332.448 1.634 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290937 453638042 /nfs/dbraw/zinc/63/80/42/453638042.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 1 3 341.459 1.641 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000665290937 453638045 /nfs/dbraw/zinc/63/80/45/453638045.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 1 3 341.459 1.641 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOc2ccccc2C1 ZINC000665639354 453778713 /nfs/dbraw/zinc/77/87/13/453778713.db2.gz VXBXDNLSJRYMDN-INIZCTEOSA-N 1 3 348.491 1.863 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOc2ccccc2C1 ZINC000665639354 453778716 /nfs/dbraw/zinc/77/87/16/453778716.db2.gz VXBXDNLSJRYMDN-INIZCTEOSA-N 1 3 348.491 1.863 20 0 EDADHO CCS(=O)(=O)N1CCC(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000680471101 486783826 /nfs/dbraw/zinc/78/38/26/486783826.db2.gz UWGHJOXMMFERLU-JKSUJKDBSA-N 1 3 329.510 1.265 20 0 EDADHO CCS(=O)(=O)N1CCC(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000680471101 486783834 /nfs/dbraw/zinc/78/38/34/486783834.db2.gz UWGHJOXMMFERLU-JKSUJKDBSA-N 1 3 329.510 1.265 20 0 EDADHO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000680471101 486783840 /nfs/dbraw/zinc/78/38/40/486783840.db2.gz UWGHJOXMMFERLU-JKSUJKDBSA-N 1 3 329.510 1.265 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699806 486846039 /nfs/dbraw/zinc/84/60/39/486846039.db2.gz FLSPQLYRNLVTPY-QZTJIDSGSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000676699806 486846042 /nfs/dbraw/zinc/84/60/42/486846042.db2.gz FLSPQLYRNLVTPY-QZTJIDSGSA-N 1 3 335.492 1.763 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000667753183 486949888 /nfs/dbraw/zinc/94/98/88/486949888.db2.gz CUFMMPJRNGZOGI-MRXNPFEDSA-N 1 3 346.475 1.547 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000681162127 486954911 /nfs/dbraw/zinc/95/49/11/486954911.db2.gz YOEORJFYFRCBNC-HZPDHXFCSA-N 1 3 339.528 1.042 20 0 EDADHO COCCc1ccc(OC[C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000667875655 487000889 /nfs/dbraw/zinc/00/08/89/487000889.db2.gz QOHGUISKNMHAKY-INIZCTEOSA-N 1 3 336.476 1.689 20 0 EDADHO CCN1CCC[C@H]1CNC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000673775901 487111206 /nfs/dbraw/zinc/11/12/06/487111206.db2.gz FIEXCFYVJXOJSK-IRXDYDNUSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669561170 485569238 /nfs/dbraw/zinc/56/92/38/485569238.db2.gz TUAIWADPNZWAHX-YSHGAJCASA-N 1 3 342.487 1.900 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570868 485592431 /nfs/dbraw/zinc/59/24/31/485592431.db2.gz CIHCTUPKYVHOQR-SJLPKXTDSA-N 1 3 338.496 1.272 20 0 EDADHO c1cc2n(n1)C[C@@H](C[NH2+]CC1CCN(Cc3ccncc3)CC1)CN2 ZINC000668512011 485828253 /nfs/dbraw/zinc/82/82/53/485828253.db2.gz IRWXYXVNGDQXQB-SFHVURJKSA-N 1 3 340.475 1.822 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000343775864 485936745 /nfs/dbraw/zinc/93/67/45/485936745.db2.gz FOYWSAHWSDTBLO-NXHRZFHOSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000237719374 485999187 /nfs/dbraw/zinc/99/91/87/485999187.db2.gz SLKWORFGHJZHHF-GOSISDBHSA-N 1 3 344.503 1.765 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000238025325 486024963 /nfs/dbraw/zinc/02/49/63/486024963.db2.gz VZFNLNDUSRKWHY-QGZVFWFLSA-N 1 3 330.476 1.457 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NCC[NH2+]C2CC2)N2CCCC2)c1 ZINC000668678503 486033162 /nfs/dbraw/zinc/03/31/62/486033162.db2.gz YYKXWWUUVDXMDT-GOSISDBHSA-N 1 3 346.475 1.883 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669405729 486077400 /nfs/dbraw/zinc/07/74/00/486077400.db2.gz XGTBPEWVSZMSJV-IDCNUPLLSA-N 1 3 346.475 1.580 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000669422681 486143221 /nfs/dbraw/zinc/14/32/21/486143221.db2.gz PQYYHIYPGVQLQX-IHWYPQMZSA-N 1 3 346.475 1.721 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000168511064 533893879 /nfs/dbraw/zinc/89/38/79/533893879.db2.gz UYLOQALSVBLKAL-BGTYHANMSA-N 1 3 331.460 1.221 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067393646 534952613 /nfs/dbraw/zinc/95/26/13/534952613.db2.gz BCCAZSUXBSMLRN-MRXNPFEDSA-N 1 3 346.475 1.535 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000067393646 534952617 /nfs/dbraw/zinc/95/26/17/534952617.db2.gz BCCAZSUXBSMLRN-MRXNPFEDSA-N 1 3 346.475 1.535 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128284 535043518 /nfs/dbraw/zinc/04/35/18/535043518.db2.gz CVCMPDKVMKUNJS-SQGPQFPESA-N 1 3 349.519 1.996 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000339616891 535065518 /nfs/dbraw/zinc/06/55/18/535065518.db2.gz SVQUZMUTJYUXJM-UHFFFAOYSA-N 1 3 340.512 1.164 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)N(C)C1 ZINC000347676088 536774364 /nfs/dbraw/zinc/77/43/64/536774364.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)N(C)C1 ZINC000347676088 536774367 /nfs/dbraw/zinc/77/43/67/536774367.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)N(C)C1 ZINC000345852267 536778224 /nfs/dbraw/zinc/77/82/24/536778224.db2.gz LFDKFVIYBPELEK-GJZGRUSLSA-N 1 3 326.485 1.221 20 0 EDADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729618649 578585002 /nfs/dbraw/zinc/58/50/02/578585002.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729618649 578585003 /nfs/dbraw/zinc/58/50/03/578585003.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CCN(C)C)Cc1ccccn1 ZINC000730437631 578648332 /nfs/dbraw/zinc/64/83/32/578648332.db2.gz ZFKVRUHXPDAOEP-QGZVFWFLSA-N 1 3 349.548 1.804 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=S)N(CCN(C)C)Cc1ccccn1 ZINC000730437631 578648333 /nfs/dbraw/zinc/64/83/33/578648333.db2.gz ZFKVRUHXPDAOEP-QGZVFWFLSA-N 1 3 349.548 1.804 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000734283128 578806557 /nfs/dbraw/zinc/80/65/57/578806557.db2.gz QGDSGTUDPCSNCZ-IRXDYDNUSA-N 1 3 338.496 1.365 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556744 579648890 /nfs/dbraw/zinc/64/88/90/579648890.db2.gz JBVOCQCJICZPAO-MRXNPFEDSA-N 1 3 336.484 1.831 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000747556744 579648892 /nfs/dbraw/zinc/64/88/92/579648892.db2.gz JBVOCQCJICZPAO-MRXNPFEDSA-N 1 3 336.484 1.831 20 0 EDADHO C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000749818091 579740960 /nfs/dbraw/zinc/74/09/60/579740960.db2.gz GJBMVISLWNRKHI-SJJHQCBESA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN(C)C ZINC000749829014 579741404 /nfs/dbraw/zinc/74/14/04/579741404.db2.gz KQWTVBGLINDFDT-WBVHZDCISA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCCN(C)C ZINC000749829014 579741406 /nfs/dbraw/zinc/74/14/06/579741406.db2.gz KQWTVBGLINDFDT-WBVHZDCISA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H](NC(=S)NCCN(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778533031 580467054 /nfs/dbraw/zinc/46/70/54/580467054.db2.gz XWAHQIFLSZXRQG-NVXWUHKLSA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H](NC(=S)NCCN(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778533031 580467055 /nfs/dbraw/zinc/46/70/55/580467055.db2.gz XWAHQIFLSZXRQG-NVXWUHKLSA-N 1 3 334.533 1.923 20 0 EDADHO COc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1F ZINC000784460000 580621336 /nfs/dbraw/zinc/62/13/36/580621336.db2.gz NGRKMVQNBPCZIP-UHFFFAOYSA-N 1 3 326.416 1.791 20 0 EDADHO C[C@@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCN1Cc1ccccc1 ZINC000891819648 590637549 /nfs/dbraw/zinc/63/75/49/590637549.db2.gz HDVTZBAUNYRWNQ-LNLFQRSKSA-N 1 3 328.460 1.797 20 0 EDADHO CCN1CCN(Cc2ccc(CNc3cc[nH+]cc3CO)cc2)CC1 ZINC000891837222 590646073 /nfs/dbraw/zinc/64/60/73/590646073.db2.gz CIXMFBAIMYAIPO-UHFFFAOYSA-N 1 3 340.471 1.745 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000892134720 590817042 /nfs/dbraw/zinc/81/70/42/590817042.db2.gz OLYZYXKKQOGGOE-OAHLLOKOSA-N 1 3 328.501 1.504 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892169000 590839962 /nfs/dbraw/zinc/83/99/62/590839962.db2.gz HUWMOFSEZYWBGR-KSZLIROESA-N 1 3 330.476 1.996 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262720 590894701 /nfs/dbraw/zinc/89/47/01/590894701.db2.gz VDUITJRYEZPALE-HFCFLWKCSA-N 1 3 328.460 1.621 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000892266136 590899279 /nfs/dbraw/zinc/89/92/79/590899279.db2.gz BNQDNRGOWIONPY-GOEBONIOSA-N 1 3 329.448 1.444 20 0 EDADHO C[NH2+]CCOCCNC(=O)N(CC(C)C)CC1CCN(C)CC1 ZINC000892281571 590910938 /nfs/dbraw/zinc/91/09/38/590910938.db2.gz ISZSULUKFRTFHK-UHFFFAOYSA-N 1 3 328.501 1.232 20 0 EDADHO O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[C@@H](N2CC=CC2)C1 ZINC000892343832 590971916 /nfs/dbraw/zinc/97/19/16/590971916.db2.gz SOSAHOSZDMASAW-QGZVFWFLSA-N 1 3 326.444 1.488 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892385048 591004353 /nfs/dbraw/zinc/00/43/53/591004353.db2.gz FTJQSOPYJYCGPK-HOTGVXAUSA-N 1 3 339.528 1.090 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC000892529765 591060328 /nfs/dbraw/zinc/06/03/28/591060328.db2.gz AJFKNEGJWHQBPE-ROUUACIJSA-N 1 3 330.476 1.963 20 0 EDADHO COC(=O)c1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)cc1C ZINC000892546015 591067982 /nfs/dbraw/zinc/06/79/82/591067982.db2.gz YTLBCEALGHUCJR-UHFFFAOYSA-N 1 3 333.476 1.897 20 0 EDADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448568 591075510 /nfs/dbraw/zinc/07/55/10/591075510.db2.gz RBGPXBCXXXYICU-BZSNNMDCSA-N 1 3 328.460 1.797 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891455246 591077519 /nfs/dbraw/zinc/07/75/19/591077519.db2.gz AMHMJAIUHTYROQ-UHFFFAOYSA-N 1 3 346.475 1.792 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891537409 591112076 /nfs/dbraw/zinc/11/20/76/591112076.db2.gz BXPXQECUZKNSSE-MSOLQXFVSA-N 1 3 330.476 1.875 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891537409 591112078 /nfs/dbraw/zinc/11/20/78/591112078.db2.gz BXPXQECUZKNSSE-MSOLQXFVSA-N 1 3 330.476 1.875 20 0 EDADHO [NH3+][C@H](CCNC(=O)N[C@@H]1CCN(CC2CC2)C1)Cc1ccccc1 ZINC000891576264 591132065 /nfs/dbraw/zinc/13/20/65/591132065.db2.gz KDQLCULXRLQCLI-QZTJIDSGSA-N 1 3 330.476 1.730 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576710 591133298 /nfs/dbraw/zinc/13/32/98/591133298.db2.gz NMGJJFXLAHWTQW-JKSUJKDBSA-N 1 3 338.496 1.319 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891634575 591159972 /nfs/dbraw/zinc/15/99/72/591159972.db2.gz OSZOMWIAJKUWJN-MRXNPFEDSA-N 1 3 340.512 1.789 20 0 EDADHO CN1CCN(CCCNc2cc[nH+]cc2CO)[C@@H](c2ccccc2)C1 ZINC000891762374 591215178 /nfs/dbraw/zinc/21/51/78/591215178.db2.gz NAUZTYRKCWZKIW-HXUWFJFHSA-N 1 3 340.471 1.787 20 0 EDADHO COC(=O)[C@H]1[C@@H](CNCc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190742 591222848 /nfs/dbraw/zinc/22/28/48/591222848.db2.gz WYHLFSMXVLAQKL-HUUCEWRRSA-N 1 3 342.386 1.771 20 0 EDADHO COc1ccc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000894472408 591319539 /nfs/dbraw/zinc/31/95/39/591319539.db2.gz LNJVPBHHSQRNMM-XYTVBORESA-N 1 3 334.460 1.767 20 0 EDADHO COc1ccc(C[C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000894472408 591319542 /nfs/dbraw/zinc/31/95/42/591319542.db2.gz LNJVPBHHSQRNMM-XYTVBORESA-N 1 3 334.460 1.767 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCN3C(C)(C)C)CC2)CC1 ZINC000896004863 591321501 /nfs/dbraw/zinc/32/15/01/591321501.db2.gz QZYLVHDQCLLKIT-KRWDZBQOSA-N 1 3 336.524 1.534 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897455831 591461905 /nfs/dbraw/zinc/46/19/05/591461905.db2.gz WEHNQNPRYJRUKZ-HNNXBMFYSA-N 1 3 347.463 1.264 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897455831 591461908 /nfs/dbraw/zinc/46/19/08/591461908.db2.gz WEHNQNPRYJRUKZ-HNNXBMFYSA-N 1 3 347.463 1.264 20 0 EDADHO C[C@H]1CCN(CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000897466112 591466672 /nfs/dbraw/zinc/46/66/72/591466672.db2.gz OCVAPRKYEMBJAR-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894905208 591468146 /nfs/dbraw/zinc/46/81/46/591468146.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000894905208 591468149 /nfs/dbraw/zinc/46/81/49/591468149.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 1 3 340.512 1.347 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCN2CCC[C@@H]2C)C1 ZINC000897482567 591488529 /nfs/dbraw/zinc/48/85/29/591488529.db2.gz BNKPNOQZVIKPEJ-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000897497866 591500686 /nfs/dbraw/zinc/50/06/86/591500686.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000897497866 591500689 /nfs/dbraw/zinc/50/06/89/591500689.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000896839073 591627982 /nfs/dbraw/zinc/62/79/82/591627982.db2.gz IZRCNBCLZQTEIH-CQSZACIVSA-N 1 3 337.430 1.838 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(C)(C)C)co1 ZINC000898247840 591835649 /nfs/dbraw/zinc/83/56/49/591835649.db2.gz PEPCWFJZEGGOQY-UHFFFAOYSA-N 1 3 339.484 1.607 20 0 EDADHO CC1(C)CNCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000902345679 591977108 /nfs/dbraw/zinc/97/71/08/591977108.db2.gz DPSOWIGAYBTWTR-CQSZACIVSA-N 1 3 329.510 1.311 20 0 EDADHO CN1CC[C@@](O)(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982584 /nfs/dbraw/zinc/98/25/84/591982584.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 1 3 327.419 1.791 20 0 EDADHO CNc1cc(N2CCC[C@H]2CN[C@@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358165 591986112 /nfs/dbraw/zinc/98/61/12/591986112.db2.gz BLIFBPURCHOGKV-CABCVRRESA-N 1 3 332.496 1.855 20 0 EDADHO CC(C)CCc1noc(CONC(=N)[C@H]2CN3CCC[C@H]3CO2)n1 ZINC000902810156 592068381 /nfs/dbraw/zinc/06/83/81/592068381.db2.gz MLYZVTQGMLKFCT-QWHCGFSZSA-N 1 3 337.424 1.520 20 0 EDADHO CC(C)CCc1noc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000902810156 592068383 /nfs/dbraw/zinc/06/83/83/592068383.db2.gz MLYZVTQGMLKFCT-QWHCGFSZSA-N 1 3 337.424 1.520 20 0 EDADHO CC(C)CCc1noc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000902810156 592068385 /nfs/dbraw/zinc/06/83/85/592068385.db2.gz MLYZVTQGMLKFCT-QWHCGFSZSA-N 1 3 337.424 1.520 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCc2c(F)cccc2F)C[C@H]1CC[NH3+] ZINC000903496974 592188170 /nfs/dbraw/zinc/18/81/70/592188170.db2.gz LOICNHWLGAGCHJ-CHWSQXEVSA-N 1 3 325.403 1.540 20 0 EDADHO CCC[C@H](C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509424 592190154 /nfs/dbraw/zinc/19/01/54/592190154.db2.gz IJRIHXMVTVLDKM-CIRFHOKZSA-N 1 3 336.524 1.580 20 0 EDADHO CCC[C@H](C)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509424 592190156 /nfs/dbraw/zinc/19/01/56/592190156.db2.gz IJRIHXMVTVLDKM-CIRFHOKZSA-N 1 3 336.524 1.580 20 0 EDADHO CCCN(CCC)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511734 592191291 /nfs/dbraw/zinc/19/12/91/592191291.db2.gz XLIFQDPPUIWUKB-HDICACEKSA-N 1 3 336.524 1.536 20 0 EDADHO CCCN(CCC)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511734 592191294 /nfs/dbraw/zinc/19/12/94/592191294.db2.gz XLIFQDPPUIWUKB-HDICACEKSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)(C)CC[C@H]([NH3+])CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000904383761 592247599 /nfs/dbraw/zinc/24/75/99/592247599.db2.gz DKFNRQNRYNQRIX-INIZCTEOSA-N 1 3 338.540 1.946 20 0 EDADHO COC(=O)CCC1(NCc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000904434883 592255629 /nfs/dbraw/zinc/25/56/29/592255629.db2.gz ZZWDDAOONGKTLX-HNNXBMFYSA-N 1 3 349.479 1.948 20 0 EDADHO CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1COc2ccccc2O1 ZINC000903717440 592280742 /nfs/dbraw/zinc/28/07/42/592280742.db2.gz AKJSZTOCAVAART-FRQCXROJSA-N 1 3 332.444 1.917 20 0 EDADHO Cc1nc(C[C@H]2CCCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903730296 592287121 /nfs/dbraw/zinc/28/71/21/592287121.db2.gz VGSPHHKHJABEPK-CVEARBPZSA-N 1 3 334.464 1.791 20 0 EDADHO CCc1ccc([C@@H]2CNCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747064 592293633 /nfs/dbraw/zinc/29/36/33/592293633.db2.gz OVHUFQILMKIRQJ-AABGKKOBSA-N 1 3 329.488 1.964 20 0 EDADHO CCCCNC(=O)C1(NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734245 592297826 /nfs/dbraw/zinc/29/78/26/592297826.db2.gz WLTOHYUZBYGMCG-SJLPKXTDSA-N 1 3 337.508 1.964 20 0 EDADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)N(C)C ZINC000901243199 592301820 /nfs/dbraw/zinc/30/18/20/592301820.db2.gz XWTZAHZZVQIBBQ-SQNIBIBYSA-N 1 3 333.476 1.326 20 0 EDADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)N(C)C ZINC000901243199 592301825 /nfs/dbraw/zinc/30/18/25/592301825.db2.gz XWTZAHZZVQIBBQ-SQNIBIBYSA-N 1 3 333.476 1.326 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901336109 592333565 /nfs/dbraw/zinc/33/35/65/592333565.db2.gz IBLAAJLEJAMYFC-LPHOPBHVSA-N 1 3 333.476 1.470 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901336109 592333568 /nfs/dbraw/zinc/33/35/68/592333568.db2.gz IBLAAJLEJAMYFC-LPHOPBHVSA-N 1 3 333.476 1.470 20 0 EDADHO CN1CCO[C@H](CN(Cc2cccc3c2CC[NH2+]C3)CC2CC2)C1 ZINC000903912288 592374820 /nfs/dbraw/zinc/37/48/20/592374820.db2.gz CRASHCBIUMMVOF-IBGZPJMESA-N 1 3 329.488 1.875 20 0 EDADHO CN1CCC([NH+]2CCC(NC[C@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078657 592388451 /nfs/dbraw/zinc/38/84/51/592388451.db2.gz AXEHEEKLXFAGEY-GOSISDBHSA-N 1 3 339.524 1.191 20 0 EDADHO CN1CCC(N2CCC([NH2+]C[C@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078657 592388455 /nfs/dbraw/zinc/38/84/55/592388455.db2.gz AXEHEEKLXFAGEY-GOSISDBHSA-N 1 3 339.524 1.191 20 0 EDADHO Cc1nc(CC2CCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)no1 ZINC000903988053 592406099 /nfs/dbraw/zinc/40/60/99/592406099.db2.gz MZVGVPJDKHFEJX-MRXNPFEDSA-N 1 3 346.479 1.492 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC[NH2+]1 ZINC000903988592 592407130 /nfs/dbraw/zinc/40/71/30/592407130.db2.gz SZDJQPLSCKJQCY-KBPBESRZSA-N 1 3 329.448 1.779 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000905111215 592412036 /nfs/dbraw/zinc/41/20/36/592412036.db2.gz URMYWEPQUWTTPF-SXLOBPIMSA-N 1 3 347.503 1.229 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(F)F ZINC000905365721 592516123 /nfs/dbraw/zinc/51/61/23/592516123.db2.gz DWTTZTXCHNMWJV-DOTOQJQBSA-N 1 3 328.403 1.749 20 0 EDADHO C[C@@](O)(CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)C(F)F ZINC000905365721 592516125 /nfs/dbraw/zinc/51/61/25/592516125.db2.gz DWTTZTXCHNMWJV-DOTOQJQBSA-N 1 3 328.403 1.749 20 0 EDADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905367172 592517235 /nfs/dbraw/zinc/51/72/35/592517235.db2.gz JFROFQKNAAZTOI-RTBURBONSA-N 1 3 348.487 1.399 20 0 EDADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)C1(O)CCCC1 ZINC000905367172 592517237 /nfs/dbraw/zinc/51/72/37/592517237.db2.gz JFROFQKNAAZTOI-RTBURBONSA-N 1 3 348.487 1.399 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@](C)(O)C(F)(F)F)C2)[C@H]1C(C)C ZINC000905503738 592546710 /nfs/dbraw/zinc/54/67/10/592546710.db2.gz UEJWLPJMRAJHEJ-ZSAUSMIDSA-N 1 3 338.414 1.759 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC[C@](C)(O)C(F)(F)F)C2)[C@H]1C(C)C ZINC000905503738 592546712 /nfs/dbraw/zinc/54/67/12/592546712.db2.gz UEJWLPJMRAJHEJ-ZSAUSMIDSA-N 1 3 338.414 1.759 20 0 EDADHO CN(C(=O)C1CN(C)CCN(C)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000907526430 592688309 /nfs/dbraw/zinc/68/83/09/592688309.db2.gz PDKHQZVZUDHNML-UHFFFAOYSA-N 1 3 338.540 1.593 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC000906384512 592814608 /nfs/dbraw/zinc/81/46/08/592814608.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 1 3 345.491 1.894 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)C1 ZINC000906384512 592814611 /nfs/dbraw/zinc/81/46/11/592814611.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 1 3 345.491 1.894 20 0 EDADHO CN1CCN(C)CC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000906610676 592863789 /nfs/dbraw/zinc/86/37/89/592863789.db2.gz HABMLGMQCGDJBF-UHFFFAOYSA-N 1 3 348.491 1.449 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000910859942 592897516 /nfs/dbraw/zinc/89/75/16/592897516.db2.gz GZTOZWOYEMUPCT-CALCHBBNSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000910859942 592897517 /nfs/dbraw/zinc/89/75/17/592897517.db2.gz GZTOZWOYEMUPCT-CALCHBBNSA-N 1 3 339.524 1.801 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000911706108 592991503 /nfs/dbraw/zinc/99/15/03/592991503.db2.gz CYZIFUWNRZNSOU-PYUISTEWSA-N 1 3 331.460 1.756 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)C1 ZINC000911736281 592992758 /nfs/dbraw/zinc/99/27/58/592992758.db2.gz KGGUZVZICYUYIF-VGMNTSGFSA-N 1 3 331.460 1.851 20 0 EDADHO CN1CCCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000911928551 593034759 /nfs/dbraw/zinc/03/47/59/593034759.db2.gz CAGRYNJCXIGFMW-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912297322 593084018 /nfs/dbraw/zinc/08/40/18/593084018.db2.gz OKTBCDRFCWFIKC-QGZVFWFLSA-N 1 3 338.540 1.782 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000912297322 593084019 /nfs/dbraw/zinc/08/40/19/593084019.db2.gz OKTBCDRFCWFIKC-QGZVFWFLSA-N 1 3 338.540 1.782 20 0 EDADHO CNC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000912304459 593085270 /nfs/dbraw/zinc/08/52/70/593085270.db2.gz PXOXXCOSRKTFNW-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CNC(=O)Nc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000912304459 593085271 /nfs/dbraw/zinc/08/52/71/593085271.db2.gz PXOXXCOSRKTFNW-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000806319479 593438707 /nfs/dbraw/zinc/43/87/07/593438707.db2.gz NYJANMOWIVDKHW-XYPWUTKMSA-N 1 3 334.468 1.534 20 0 EDADHO CN(C)CCn1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000806319479 593438708 /nfs/dbraw/zinc/43/87/08/593438708.db2.gz NYJANMOWIVDKHW-XYPWUTKMSA-N 1 3 334.468 1.534 20 0 EDADHO COc1ccc([C@H](O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)cc1 ZINC000812858052 593511101 /nfs/dbraw/zinc/51/11/01/593511101.db2.gz WSUMAKNDCARKIU-QUCCMNQESA-N 1 3 348.487 1.897 20 0 EDADHO C[C@H](CNC(=O)/C=C\c1ccc(OCCN(C)C)cc1)C[NH+](C)C ZINC000816833201 593552548 /nfs/dbraw/zinc/55/25/48/593552548.db2.gz ARAGLALTKMRDFJ-JXMNSVBMSA-N 1 3 333.476 1.954 20 0 EDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000817905477 593647346 /nfs/dbraw/zinc/64/73/46/593647346.db2.gz NXWQXIZAFJBOEB-NVXWUHKLSA-N 1 3 345.553 1.396 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040602 593735030 /nfs/dbraw/zinc/73/50/30/593735030.db2.gz ODUOCFUOFCULOE-MSOLQXFVSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC[C@H](O)C3CC3)c2)C1 ZINC000819040602 593735031 /nfs/dbraw/zinc/73/50/31/593735031.db2.gz ODUOCFUOFCULOE-MSOLQXFVSA-N 1 3 331.460 1.244 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC[C@H](O)C3CC3)c2)C1 ZINC000819040602 593735032 /nfs/dbraw/zinc/73/50/32/593735032.db2.gz ODUOCFUOFCULOE-MSOLQXFVSA-N 1 3 331.460 1.244 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(CN(C)C)c1 ZINC000820829853 593899376 /nfs/dbraw/zinc/89/93/76/593899376.db2.gz NBNSWIUEMVWESQ-HOCLYGCPSA-N 1 3 339.505 1.680 20 0 EDADHO CS(=O)(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820830658 593900219 /nfs/dbraw/zinc/90/02/19/593900219.db2.gz XWMPZODAKATRNR-WYQXTGKHSA-N 1 3 327.494 1.015 20 0 EDADHO CS(=O)(=O)N1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000820830658 593900221 /nfs/dbraw/zinc/90/02/21/593900221.db2.gz XWMPZODAKATRNR-WYQXTGKHSA-N 1 3 327.494 1.015 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN(C)C ZINC000831718680 594695817 /nfs/dbraw/zinc/69/58/17/594695817.db2.gz NIKHINGFGRPPSK-QZTJIDSGSA-N 1 3 333.476 1.591 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CN(C)C ZINC000831718680 594695818 /nfs/dbraw/zinc/69/58/18/594695818.db2.gz NIKHINGFGRPPSK-QZTJIDSGSA-N 1 3 333.476 1.591 20 0 EDADHO CCO[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CN(C)C ZINC000831745586 594698702 /nfs/dbraw/zinc/69/87/02/594698702.db2.gz TVBOTESRDIOWEK-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO CCO[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CN(C)C ZINC000831745586 594698703 /nfs/dbraw/zinc/69/87/03/594698703.db2.gz TVBOTESRDIOWEK-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=S)NC[C@H]3CCC[N@@H+]3CC)[C@H]2C1 ZINC000840755161 594815068 /nfs/dbraw/zinc/81/50/68/594815068.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 1 3 340.537 1.140 20 0 EDADHO CCN1CC[C@H]2OCCN(C(=S)NC[C@H]3CCC[N@H+]3CC)[C@H]2C1 ZINC000840755161 594815070 /nfs/dbraw/zinc/81/50/70/594815070.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 1 3 340.537 1.140 20 0 EDADHO CN(C)CCNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841270833 594879012 /nfs/dbraw/zinc/87/90/12/594879012.db2.gz CMDUMDXXBTXBNF-HNNXBMFYSA-N 1 3 334.420 1.279 20 0 EDADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327207 594885300 /nfs/dbraw/zinc/88/53/00/594885300.db2.gz FBDWZYXCRFTKPG-HZPDHXFCSA-N 1 3 346.431 1.153 20 0 EDADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)CNCCO2 ZINC000841327207 594885303 /nfs/dbraw/zinc/88/53/03/594885303.db2.gz FBDWZYXCRFTKPG-HZPDHXFCSA-N 1 3 346.431 1.153 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283753 594946920 /nfs/dbraw/zinc/94/69/20/594946920.db2.gz NHTKQYXZMHAVEF-IAGOWNOFSA-N 1 3 336.480 1.166 20 0 EDADHO C[C@@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000841896452 594976309 /nfs/dbraw/zinc/97/63/09/594976309.db2.gz MJOYCHKRIBMHKB-MJGOQNOKSA-N 1 3 330.476 1.889 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926114 594982989 /nfs/dbraw/zinc/98/29/89/594982989.db2.gz BRNPELPGYONLCG-UHFFFAOYSA-N 1 3 348.491 1.440 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263555 595057660 /nfs/dbraw/zinc/05/76/60/595057660.db2.gz YEAKREMPLSURLR-OAHLLOKOSA-N 1 3 340.512 1.248 20 0 EDADHO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843355402 595085229 /nfs/dbraw/zinc/08/52/29/595085229.db2.gz NDXRNZFYMWPWJN-OTBWCIGPSA-N 1 3 325.497 1.900 20 0 EDADHO CN1CCC(O)(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845937488 595100450 /nfs/dbraw/zinc/10/04/50/595100450.db2.gz BLYWHGMSCFNSKD-UHFFFAOYSA-N 1 3 341.496 1.726 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)CCCCCC[NH3+])cc1 ZINC000846219347 595176877 /nfs/dbraw/zinc/17/68/77/595176877.db2.gz PFSXHXHLPHWRJZ-UHFFFAOYSA-N 1 3 327.494 1.724 20 0 EDADHO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000843063427 595277572 /nfs/dbraw/zinc/27/75/72/595277572.db2.gz ZVFBXXNMJVHLSL-QGZVFWFLSA-N 1 3 334.464 1.128 20 0 EDADHO CON(C)C(=O)CCNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000843095155 595286563 /nfs/dbraw/zinc/28/65/63/595286563.db2.gz NCTBBRGMPGQOEH-KRWDZBQOSA-N 1 3 335.448 1.143 20 0 EDADHO CON(C)C(=O)CCNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000843095155 595286565 /nfs/dbraw/zinc/28/65/65/595286565.db2.gz NCTBBRGMPGQOEH-KRWDZBQOSA-N 1 3 335.448 1.143 20 0 EDADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000848024185 595305978 /nfs/dbraw/zinc/30/59/78/595305978.db2.gz FPJPBMNQVPTOCX-YOEHRIQHSA-N 1 3 331.476 1.408 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000846843161 595325482 /nfs/dbraw/zinc/32/54/82/595325482.db2.gz ZVFYSTRAINYOHT-KBXCAEBGSA-N 1 3 329.448 1.681 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc3nonc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000846843161 595325484 /nfs/dbraw/zinc/32/54/84/595325484.db2.gz ZVFYSTRAINYOHT-KBXCAEBGSA-N 1 3 329.448 1.681 20 0 EDADHO CCN1C[C@@H](CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000846857952 595328067 /nfs/dbraw/zinc/32/80/67/595328067.db2.gz AZPREWCDCTXRBZ-MRXNPFEDSA-N 1 3 338.496 1.177 20 0 EDADHO COC(=O)/C=C\c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000848910272 595466297 /nfs/dbraw/zinc/46/62/97/595466297.db2.gz HNQMTDZMHIBKRS-FPLPWBNLSA-N 1 3 349.475 1.924 20 0 EDADHO C[C@H]1OCC[C@@]1(O)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849105025 595482656 /nfs/dbraw/zinc/48/26/56/595482656.db2.gz MTBOMFPBNDOZTF-DNVCBOLYSA-N 1 3 346.475 1.305 20 0 EDADHO O=C1[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753448 595526898 /nfs/dbraw/zinc/52/68/98/595526898.db2.gz BEDGVIPMLKRUIC-WMZOPIPTSA-N 1 3 335.492 1.478 20 0 EDADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc21 ZINC000852797743 595548074 /nfs/dbraw/zinc/54/80/74/595548074.db2.gz AKIDEEHYAOTLCZ-OKZBNKHCSA-N 1 3 343.471 1.658 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000849525122 595558490 /nfs/dbraw/zinc/55/84/90/595558490.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 1 3 345.491 1.056 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cn1 ZINC000849525122 595558496 /nfs/dbraw/zinc/55/84/96/595558496.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 1 3 345.491 1.056 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000849555899 595566347 /nfs/dbraw/zinc/56/63/47/595566347.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 1 3 345.491 1.151 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000849555899 595566350 /nfs/dbraw/zinc/56/63/50/595566350.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 1 3 345.491 1.151 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567742 /nfs/dbraw/zinc/56/77/42/595567742.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 1 3 335.496 1.304 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567744 /nfs/dbraw/zinc/56/77/44/595567744.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 1 3 335.496 1.304 20 0 EDADHO NC[C@H]1CC(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)=NO1 ZINC000852895484 595603431 /nfs/dbraw/zinc/60/34/31/595603431.db2.gz CPPOOISFQNALNS-CQSZACIVSA-N 1 3 348.472 1.917 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000855345680 595680626 /nfs/dbraw/zinc/68/06/26/595680626.db2.gz GBCOQRCNSKIQMA-VIHMKRCTSA-N 1 3 347.459 1.817 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000855345680 595680630 /nfs/dbraw/zinc/68/06/30/595680630.db2.gz GBCOQRCNSKIQMA-VIHMKRCTSA-N 1 3 347.459 1.817 20 0 EDADHO N[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[C@H]1F ZINC000851657882 595871150 /nfs/dbraw/zinc/87/11/50/595871150.db2.gz PRHVRJWBMVEBOO-QDIHITRGSA-N 1 3 326.460 1.864 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000851666774 595875871 /nfs/dbraw/zinc/87/58/71/595875871.db2.gz IUJVUEVSTHZXMG-JSGCOSHPSA-N 1 3 330.423 1.690 20 0 EDADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CNCCC1(F)F ZINC000851666774 595875872 /nfs/dbraw/zinc/87/58/72/595875872.db2.gz IUJVUEVSTHZXMG-JSGCOSHPSA-N 1 3 330.423 1.690 20 0 EDADHO CC[N@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000852064842 596030367 /nfs/dbraw/zinc/03/03/67/596030367.db2.gz RXAHTIHSKOJIBK-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO CC[N@@H+](CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1)C(C)C ZINC000852064842 596030373 /nfs/dbraw/zinc/03/03/73/596030373.db2.gz RXAHTIHSKOJIBK-MRXNPFEDSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@H+](C)CC(=O)N1CC[C@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856635427 596041620 /nfs/dbraw/zinc/04/16/20/596041620.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 1 3 348.491 1.855 20 0 EDADHO CCC[N@@H+](C)CC(=O)N1CC[C@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856635427 596041623 /nfs/dbraw/zinc/04/16/23/596041623.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 1 3 348.491 1.855 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)CCN(C)C)C[NH2+]1 ZINC000861685560 596068105 /nfs/dbraw/zinc/06/81/05/596068105.db2.gz PMKLCJOPFLHFHP-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000854724784 596176101 /nfs/dbraw/zinc/17/61/01/596176101.db2.gz UUSYTVNHSDIBNI-YFHOEESVSA-N 1 3 331.460 1.660 20 0 EDADHO CSc1ccccc1CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711251 596305040 /nfs/dbraw/zinc/30/50/40/596305040.db2.gz GIBSQPVKZKVCGG-KFWWJZLASA-N 1 3 333.457 1.775 20 0 EDADHO Cc1ccccc1CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714480 596306962 /nfs/dbraw/zinc/30/69/62/596306962.db2.gz PSPOWQJGZDBAHU-KURKYZTESA-N 1 3 329.444 1.795 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000868163522 596706726 /nfs/dbraw/zinc/70/67/26/596706726.db2.gz LXXWCPVCGKXRIP-UHFFFAOYSA-N 1 3 345.491 1.650 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3cccn32)C[C@H]1C[NH+](C)C ZINC000870019542 596710777 /nfs/dbraw/zinc/71/07/77/596710777.db2.gz ZYIVNNIWGVDOGX-BFYDXBDKSA-N 1 3 346.475 1.204 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868190331 596716682 /nfs/dbraw/zinc/71/66/82/596716682.db2.gz JXWZSIXSMVUNOQ-SFHVURJKSA-N 1 3 346.479 1.757 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N(C)C1CC1 ZINC000868228567 596736002 /nfs/dbraw/zinc/73/60/02/596736002.db2.gz GDAOJQORWYTQOA-KNXALSJPSA-N 1 3 330.432 1.039 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868298018 596773615 /nfs/dbraw/zinc/77/36/15/596773615.db2.gz OASITQNILMWPES-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CC(C)(CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000872254696 596855867 /nfs/dbraw/zinc/85/58/67/596855867.db2.gz BSNYAMIYHPYZSK-ZACQAIPSSA-N 1 3 329.444 1.831 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875578140 596903737 /nfs/dbraw/zinc/90/37/37/596903737.db2.gz DGAPUQHDUHNXSD-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875578140 596903739 /nfs/dbraw/zinc/90/37/39/596903739.db2.gz DGAPUQHDUHNXSD-GJZGRUSLSA-N 1 3 326.485 1.005 20 0 EDADHO NCc1cn(-c2cccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nn1 ZINC000873215960 597230483 /nfs/dbraw/zinc/23/04/83/597230483.db2.gz HNTHNHVPODARKU-GUDVDZBRSA-N 1 3 340.475 1.736 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000873227515 597234007 /nfs/dbraw/zinc/23/40/07/597234007.db2.gz LCKDNFMEZBZGBH-PBHICJAKSA-N 1 3 335.423 1.476 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000873227515 597234010 /nfs/dbraw/zinc/23/40/10/597234010.db2.gz LCKDNFMEZBZGBH-PBHICJAKSA-N 1 3 335.423 1.476 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)[nH]n1 ZINC000873226803 597234126 /nfs/dbraw/zinc/23/41/26/597234126.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)[nH]n1 ZINC000873226803 597234128 /nfs/dbraw/zinc/23/41/28/597234128.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n[nH]1 ZINC000873226803 597234130 /nfs/dbraw/zinc/23/41/30/597234130.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 1 3 347.507 1.910 20 0 EDADHO CC(C)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n[nH]1 ZINC000873226803 597234131 /nfs/dbraw/zinc/23/41/31/597234131.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 1 3 347.507 1.910 20 0 EDADHO O[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296529 597249938 /nfs/dbraw/zinc/24/99/38/597249938.db2.gz HVEFTXAKVIELBE-XLAORIBOSA-N 1 3 338.879 1.990 20 0 EDADHO CN1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206795 597461569 /nfs/dbraw/zinc/46/15/69/597461569.db2.gz QGHTYEPYYNLOKT-AWEZNQCLSA-N 1 3 334.468 1.149 20 0 EDADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1)C1CCCC1 ZINC000877449727 597516854 /nfs/dbraw/zinc/51/68/54/597516854.db2.gz RFHJGPSOWWVDOC-KBAYOESNSA-N 1 3 337.508 1.901 20 0 EDADHO O=c1oc2ccc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2o1 ZINC000883049470 597631770 /nfs/dbraw/zinc/63/17/70/597631770.db2.gz NIJXHPGAGZEETN-LSDHHAIUSA-N 1 3 332.400 1.853 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415873 597739316 /nfs/dbraw/zinc/73/93/16/597739316.db2.gz HEXVPIUMXAHOGP-JKSUJKDBSA-N 1 3 336.480 1.166 20 0 EDADHO CC(C)(C)OC(=O)NCC[C@@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880475503 597940722 /nfs/dbraw/zinc/94/07/22/597940722.db2.gz VIHCAJHXBPSLEL-OAHLLOKOSA-N 1 3 341.496 1.822 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000889332521 597941350 /nfs/dbraw/zinc/94/13/50/597941350.db2.gz CVMACLTVNSKYFM-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000889332521 597941352 /nfs/dbraw/zinc/94/13/52/597941352.db2.gz CVMACLTVNSKYFM-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000884222011 598033862 /nfs/dbraw/zinc/03/38/62/598033862.db2.gz GATAMPQNQOTLOG-DOTOQJQBSA-N 1 3 349.475 1.366 20 0 EDADHO C[NH+](C)CC1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000914311624 695350182 /nfs/dbraw/zinc/35/01/82/695350182.db2.gz ZBRSHAWYDABOQY-INIZCTEOSA-N 1 3 329.510 1.076 20 0 EDADHO CC[C@@H](C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1)N(C)C ZINC000993829352 696397662 /nfs/dbraw/zinc/39/76/62/696397662.db2.gz JFPPDRYHTRVFKE-KRWDZBQOSA-N 1 3 346.475 1.029 20 0 EDADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CCCN1CCCO ZINC000994203095 696578222 /nfs/dbraw/zinc/57/82/22/696578222.db2.gz JPKUPLLZBBZVEV-YJBOKZPZSA-N 1 3 337.508 1.460 20 0 EDADHO CCCCN(C)C(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000917067582 696907027 /nfs/dbraw/zinc/90/70/27/696907027.db2.gz NSRVQPNKOPGHEY-KRWDZBQOSA-N 1 3 325.497 1.414 20 0 EDADHO CN1CCC[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C1 ZINC000919657234 697311618 /nfs/dbraw/zinc/31/16/18/697311618.db2.gz HRUFECWLGXNUGE-SFHVURJKSA-N 1 3 332.492 1.897 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000921331136 697558308 /nfs/dbraw/zinc/55/83/08/697558308.db2.gz XIZBNDXJCZLRGY-OIISXLGYSA-N 1 3 338.496 1.412 20 0 EDADHO Cc1ncsc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053559 699113672 /nfs/dbraw/zinc/11/36/72/699113672.db2.gz APPCBNLBFMFTMV-SWLSCSKDSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)s1 ZINC000939054378 699114702 /nfs/dbraw/zinc/11/47/02/699114702.db2.gz IPSBAZKKTMGKAV-BLLLJJGKSA-N 1 3 336.505 1.730 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603759 701593575 /nfs/dbraw/zinc/59/35/75/701593575.db2.gz NZMITYSBXXFTOV-PKOBYXMFSA-N 1 3 348.535 1.632 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603759 701593576 /nfs/dbraw/zinc/59/35/76/701593576.db2.gz NZMITYSBXXFTOV-PKOBYXMFSA-N 1 3 348.535 1.632 20 0 EDADHO C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cnn(C)c1 ZINC000939256865 699433844 /nfs/dbraw/zinc/43/38/44/699433844.db2.gz FTSNBPDRQNAVPX-RHSMWYFYSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397128 699546887 /nfs/dbraw/zinc/54/68/87/699546887.db2.gz LMWHFVMXLLQAFY-WBVHZDCISA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1NCc1ccccn1 ZINC000939424593 699574486 /nfs/dbraw/zinc/57/44/86/699574486.db2.gz YEGBMYZUHRZLQZ-YJBOKZPZSA-N 1 3 346.475 1.129 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677134 701615825 /nfs/dbraw/zinc/61/58/25/701615825.db2.gz LUZMKQMRZGOYQQ-IRXDYDNUSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1)N(C)C ZINC000940176792 700309735 /nfs/dbraw/zinc/30/97/35/700309735.db2.gz PBGFZPAYESQRIG-MRXNPFEDSA-N 1 3 333.480 1.596 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031874181 700332898 /nfs/dbraw/zinc/33/28/98/700332898.db2.gz KTGNFBMWRQZSBE-OAHLLOKOSA-N 1 3 333.476 1.487 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(NCc3ccn(C)n3)CC2)C1 ZINC000940327930 700505399 /nfs/dbraw/zinc/50/53/99/700505399.db2.gz AARHGECQBLOBFQ-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(NCc3ccn(C)n3)CC2)C1 ZINC000940327930 700505401 /nfs/dbraw/zinc/50/54/01/700505401.db2.gz AARHGECQBLOBFQ-HNNXBMFYSA-N 1 3 333.480 1.233 20 0 EDADHO O=C(N[C@H]1CC[C@H](CNCc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170185 701676492 /nfs/dbraw/zinc/67/64/92/701676492.db2.gz WJZDWPAZRDUCQO-STQMWFEESA-N 1 3 335.477 1.008 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CCC1 ZINC000995893729 702195232 /nfs/dbraw/zinc/19/52/32/702195232.db2.gz IYRFSXQOJGFLHZ-HNNXBMFYSA-N 1 3 333.480 1.231 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1)N1CCCC1 ZINC000996130245 702561863 /nfs/dbraw/zinc/56/18/63/702561863.db2.gz YWRWUWDOUUHOTP-MRXNPFEDSA-N 1 3 347.507 1.584 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246640 702650024 /nfs/dbraw/zinc/65/00/24/702650024.db2.gz JHRBBJBTASMOID-QGZVFWFLSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@H](NC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1cnccn1 ZINC000996560519 702878958 /nfs/dbraw/zinc/87/89/58/702878958.db2.gz IYZRGPVVXSYJIY-WMLDXEAASA-N 1 3 343.475 1.460 20 0 EDADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617316 702924232 /nfs/dbraw/zinc/92/42/32/702924232.db2.gz AIRKAXYVPPYBGC-MSOLQXFVSA-N 1 3 344.459 1.025 20 0 EDADHO Cn1cncc1CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669803 702971282 /nfs/dbraw/zinc/97/12/82/702971282.db2.gz IAKQUUSAFXLGNB-QGZVFWFLSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)s1 ZINC000996678857 702977474 /nfs/dbraw/zinc/97/74/74/702977474.db2.gz OHOPWRZJNSUKBW-MRXNPFEDSA-N 1 3 336.505 1.872 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(N[C@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996690908 702987168 /nfs/dbraw/zinc/98/71/68/702987168.db2.gz GEHVDUDLFFDHDI-HIFRSBDPSA-N 1 3 336.484 1.043 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CCc2scnc2C)CC1)N(C)C ZINC000996713264 703008145 /nfs/dbraw/zinc/00/81/45/703008145.db2.gz RQLFNKMRPALHCC-OAHLLOKOSA-N 1 3 338.521 1.915 20 0 EDADHO CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC000996722539 703017798 /nfs/dbraw/zinc/01/77/98/703017798.db2.gz IZHJPGLQCXOMSJ-KRWDZBQOSA-N 1 3 333.480 1.468 20 0 EDADHO COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996730528 703027163 /nfs/dbraw/zinc/02/71/63/703027163.db2.gz UKXCHFYOLCPZRM-KRWDZBQOSA-N 1 3 346.475 1.655 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000996995229 703252122 /nfs/dbraw/zinc/25/21/22/703252122.db2.gz MPBPWDXACNWGBU-OAHLLOKOSA-N 1 3 346.475 1.655 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)ncn1 ZINC000996997830 703254757 /nfs/dbraw/zinc/25/47/57/703254757.db2.gz HQDZJIOTTCEXHF-HNNXBMFYSA-N 1 3 331.464 1.350 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008509 703266320 /nfs/dbraw/zinc/26/63/20/703266320.db2.gz MXOZRZGREDDAJR-KSSFIOAISA-N 1 3 345.491 1.108 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008509 703266321 /nfs/dbraw/zinc/26/63/21/703266321.db2.gz MXOZRZGREDDAJR-KSSFIOAISA-N 1 3 345.491 1.108 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)n1 ZINC000997009351 703270004 /nfs/dbraw/zinc/27/00/04/703270004.db2.gz ZTCJGTAHLYSDGR-OAHLLOKOSA-N 1 3 346.475 1.513 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(OC)ccn2)CC1)N(C)C ZINC000997010292 703270607 /nfs/dbraw/zinc/27/06/07/703270607.db2.gz SIKUUOAICJHKJX-KRWDZBQOSA-N 1 3 334.464 1.511 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997011416 703271601 /nfs/dbraw/zinc/27/16/01/703271601.db2.gz VIYCXRRXQKCOJQ-LRDDRELGSA-N 1 3 334.464 1.570 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997011416 703271602 /nfs/dbraw/zinc/27/16/02/703271602.db2.gz VIYCXRRXQKCOJQ-LRDDRELGSA-N 1 3 334.464 1.570 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997184120 703466295 /nfs/dbraw/zinc/46/62/95/703466295.db2.gz MQTDBYCNQXJWOA-WBVHZDCISA-N 1 3 347.507 1.621 20 0 EDADHO C[C@@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229380 703505209 /nfs/dbraw/zinc/50/52/09/703505209.db2.gz VAPPKROVWUIGJJ-UZTJYVCTSA-N 1 3 347.503 1.476 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000997366607 703600584 /nfs/dbraw/zinc/60/05/84/703600584.db2.gz HJQHXXDVTLJBRP-SFHVURJKSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997605640 703903343 /nfs/dbraw/zinc/90/33/43/703903343.db2.gz GRVXAGODGLHCET-OAHLLOKOSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)sn1 ZINC000997613804 703913322 /nfs/dbraw/zinc/91/33/22/703913322.db2.gz PYHSGYWKNMMXAS-INIZCTEOSA-N 1 3 336.505 1.874 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(CCOC2CCC2)C1 ZINC001033080191 704145691 /nfs/dbraw/zinc/14/56/91/704145691.db2.gz FDVFXERSGMJNNJ-SJLPKXTDSA-N 1 3 335.492 1.430 20 0 EDADHO Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997830243 704748641 /nfs/dbraw/zinc/74/86/41/704748641.db2.gz FWOGZWXKFWWISO-SFHVURJKSA-N 1 3 345.491 1.453 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997831045 704751430 /nfs/dbraw/zinc/75/14/30/704751430.db2.gz PDGKOKRYWVILJO-GOSISDBHSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2cccnc2)CC1 ZINC000997836946 704754021 /nfs/dbraw/zinc/75/40/21/704754021.db2.gz ODAQHJCUUTWNGA-INIZCTEOSA-N 1 3 342.487 1.894 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(Cc2ccccn2)CC1 ZINC000997860916 704771682 /nfs/dbraw/zinc/77/16/82/704771682.db2.gz OCXCYTCEEVPJDS-DOTOQJQBSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccccn2)CC1 ZINC000997860916 704771685 /nfs/dbraw/zinc/77/16/85/704771685.db2.gz OCXCYTCEEVPJDS-DOTOQJQBSA-N 1 3 330.476 1.750 20 0 EDADHO CN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866811 704772191 /nfs/dbraw/zinc/77/21/91/704772191.db2.gz UZCNRHRXWFQVOK-OAHLLOKOSA-N 1 3 337.493 1.351 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000998082514 705310153 /nfs/dbraw/zinc/31/01/53/705310153.db2.gz QDSUWWWRTJODMB-GUYCJALGSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000998082514 705310157 /nfs/dbraw/zinc/31/01/57/705310157.db2.gz QDSUWWWRTJODMB-GUYCJALGSA-N 1 3 334.464 1.509 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998083136 705312003 /nfs/dbraw/zinc/31/20/03/705312003.db2.gz VNOASFTZZHNEHR-DOTOQJQBSA-N 1 3 347.507 1.429 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998083136 705312005 /nfs/dbraw/zinc/31/20/05/705312005.db2.gz VNOASFTZZHNEHR-DOTOQJQBSA-N 1 3 347.507 1.429 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000998085572 705316933 /nfs/dbraw/zinc/31/69/33/705316933.db2.gz HBLFAKCVMKKSFL-SJORKVTESA-N 1 3 325.497 1.724 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2cnccn2)CC1)N(C)C ZINC000998085674 705317268 /nfs/dbraw/zinc/31/72/68/705317268.db2.gz ICVRSKSOBIOQPO-PBHICJAKSA-N 1 3 333.480 1.706 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998221887 705547808 /nfs/dbraw/zinc/54/78/08/705547808.db2.gz JBLJSRGCCKLAEK-UHFFFAOYSA-N 1 3 332.448 1.407 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2ccc(F)cn2)C1 ZINC000999049178 706469507 /nfs/dbraw/zinc/46/95/07/706469507.db2.gz CTBUILHKMZWAOG-UHFFFAOYSA-N 1 3 346.450 1.928 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999144744 706558789 /nfs/dbraw/zinc/55/87/89/706558789.db2.gz NIWVFXNIMPMPOO-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccnn2C)C1 ZINC000999144744 706558791 /nfs/dbraw/zinc/55/87/91/706558791.db2.gz NIWVFXNIMPMPOO-WBVHZDCISA-N 1 3 333.480 1.374 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999154337 706584673 /nfs/dbraw/zinc/58/46/73/706584673.db2.gz UHWYXIFNHJYLNS-MRXNPFEDSA-N 1 3 347.507 1.765 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC000999344885 706856364 /nfs/dbraw/zinc/85/63/64/706856364.db2.gz VSIYVOYFGOTQDP-UHFFFAOYSA-N 1 3 331.464 1.206 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CCC1 ZINC000999349240 706861483 /nfs/dbraw/zinc/86/14/83/706861483.db2.gz RYSHKPAUISBKRN-ZWKOTPCHSA-N 1 3 345.487 1.785 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999350744 706863156 /nfs/dbraw/zinc/86/31/56/706863156.db2.gz AUYFNHOLBXUCSM-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999350744 706863158 /nfs/dbraw/zinc/86/31/58/706863158.db2.gz AUYFNHOLBXUCSM-IAGOWNOFSA-N 1 3 347.507 1.764 20 0 EDADHO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cn1 ZINC000999371024 706885114 /nfs/dbraw/zinc/88/51/14/706885114.db2.gz MPROKYNZFWAMON-WMZOPIPTSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999404713 706913713 /nfs/dbraw/zinc/91/37/13/706913713.db2.gz ZHSBVHWQXGPQQC-NNGSBXSVSA-N 1 3 330.476 1.811 20 0 EDADHO C[C@H](NC1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999509683 707007851 /nfs/dbraw/zinc/00/78/51/707007851.db2.gz QYESEEBUKUPXOF-OOHWJJMZSA-N 1 3 345.491 1.849 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1)N(C)C ZINC000999489723 707025894 /nfs/dbraw/zinc/02/58/94/707025894.db2.gz MEUXNWSUYWXWJF-IAGOWNOFSA-N 1 3 347.507 1.568 20 0 EDADHO Cn1nccc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791270 707362391 /nfs/dbraw/zinc/36/23/91/707362391.db2.gz JYSNSGATRFWFEY-AEFFLSMTSA-N 1 3 345.491 1.375 20 0 EDADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999837556 707408527 /nfs/dbraw/zinc/40/85/27/707408527.db2.gz PMFMTXBFOMIJJP-NFOMZHRRSA-N 1 3 336.505 1.791 20 0 EDADHO Cc1nsc(C)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999837556 707408531 /nfs/dbraw/zinc/40/85/31/707408531.db2.gz PMFMTXBFOMIJJP-NFOMZHRRSA-N 1 3 336.505 1.791 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)ccn1 ZINC000999832279 707462727 /nfs/dbraw/zinc/46/27/27/707462727.db2.gz BURPCDWZLTZEKW-UHFFFAOYSA-N 1 3 332.448 1.265 20 0 EDADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001033319409 707497909 /nfs/dbraw/zinc/49/79/09/707497909.db2.gz PUCKQPLMWABXHC-SJORKVTESA-N 1 3 337.508 1.963 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032731716 707734240 /nfs/dbraw/zinc/73/42/40/707734240.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 1 3 335.492 1.430 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)C1 ZINC001032731716 707734243 /nfs/dbraw/zinc/73/42/43/707734243.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 1 3 335.492 1.430 20 0 EDADHO COC[C@@H](C)N1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546854 708175953 /nfs/dbraw/zinc/17/59/53/708175953.db2.gz GZLMRBIMTALYNS-NVXWUHKLSA-N 1 3 325.497 1.674 20 0 EDADHO Cc1ccc(OCCN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033660025 708472391 /nfs/dbraw/zinc/47/23/91/708472391.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 1 3 345.487 1.858 20 0 EDADHO Cc1ccc(OCCN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033660025 708472393 /nfs/dbraw/zinc/47/23/93/708472393.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 1 3 345.487 1.858 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033904012 709030826 /nfs/dbraw/zinc/03/08/26/709030826.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033904012 709030829 /nfs/dbraw/zinc/03/08/29/709030829.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 1 3 347.503 1.573 20 0 EDADHO O=C(N[C@H]1CCCCN(CCO)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034361743 709876648 /nfs/dbraw/zinc/87/66/48/709876648.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(N[C@H]1CCCCN(CCO)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001034361743 709876652 /nfs/dbraw/zinc/87/66/52/709876652.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 1 3 337.508 1.747 20 0 EDADHO Cc1cc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001034648529 710325392 /nfs/dbraw/zinc/32/53/92/710325392.db2.gz KXBNZWHVEWNEKM-JFIYKMOQSA-N 1 3 346.475 1.842 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001003631179 710460434 /nfs/dbraw/zinc/46/04/34/710460434.db2.gz SIWAWLHGXAHEHK-VQIMIIECSA-N 1 3 345.487 1.844 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(CCOc2ccccc2)CC1 ZINC001003631179 710460435 /nfs/dbraw/zinc/46/04/35/710460435.db2.gz SIWAWLHGXAHEHK-VQIMIIECSA-N 1 3 345.487 1.844 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)C1 ZINC001034733853 710914397 /nfs/dbraw/zinc/91/43/97/710914397.db2.gz FEANYGPMDJXYMJ-SZMVWBNQSA-N 1 3 330.476 1.940 20 0 EDADHO CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792366 711119578 /nfs/dbraw/zinc/11/95/78/711119578.db2.gz HEYQXHQYMAFMQF-BRWVUGGUSA-N 1 3 347.507 1.933 20 0 EDADHO CC(C)n1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034792366 711119580 /nfs/dbraw/zinc/11/95/80/711119580.db2.gz HEYQXHQYMAFMQF-BRWVUGGUSA-N 1 3 347.507 1.933 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885268 711289593 /nfs/dbraw/zinc/28/95/93/711289593.db2.gz RTVYCJNHSDPZIB-PBHICJAKSA-N 1 3 343.431 1.398 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388047 711429616 /nfs/dbraw/zinc/42/96/16/711429616.db2.gz NTHQVAGPIRKPQF-JZGRTCEGSA-N 1 3 334.460 1.970 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388047 711429619 /nfs/dbraw/zinc/42/96/19/711429619.db2.gz NTHQVAGPIRKPQF-JZGRTCEGSA-N 1 3 334.460 1.970 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C(C)(C)C ZINC000458399914 282113416 /nfs/dbraw/zinc/11/34/16/282113416.db2.gz GIKGQEKVPXWVJK-JKSUJKDBSA-N 1 3 342.528 1.499 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000126940423 282129094 /nfs/dbraw/zinc/12/90/94/282129094.db2.gz WSQPHEYOGVQWAB-MJGOQNOKSA-N 1 3 348.491 1.263 20 0 EDADHO CN(CC(=O)N1CCCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116462 282342828 /nfs/dbraw/zinc/34/28/28/282342828.db2.gz CUVAWMFXVMFDST-GOSISDBHSA-N 1 3 336.524 1.489 20 0 EDADHO C[NH+](C)CCCN1C(=O)C[C@@H](N2CCCc3ccccc3CC2)C1=O ZINC000560074632 306260629 /nfs/dbraw/zinc/26/06/29/306260629.db2.gz GBFJZNHGBPVROQ-GOSISDBHSA-N 1 3 343.471 1.557 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000561193823 306284308 /nfs/dbraw/zinc/28/43/08/306284308.db2.gz KOCMEAYSXLRHRX-BPQIPLTHSA-N 1 3 346.475 1.185 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000561193823 306284309 /nfs/dbraw/zinc/28/43/09/306284309.db2.gz KOCMEAYSXLRHRX-BPQIPLTHSA-N 1 3 346.475 1.185 20 0 EDADHO O=C1NC(=O)C2(CCC([NH2+]C3CCN(C4CCCC4)CC3)CC2)N1 ZINC000561527618 306288916 /nfs/dbraw/zinc/28/89/16/306288916.db2.gz INPRJJLRNKQUSM-UHFFFAOYSA-N 1 3 334.464 1.504 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000342993909 539773024 /nfs/dbraw/zinc/77/30/24/539773024.db2.gz UIDKOQNVRYKJFM-OWCLPIDISA-N 1 3 340.512 1.070 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000562638089 306303998 /nfs/dbraw/zinc/30/39/98/306303998.db2.gz KKGFGMDHTOPNAL-UHFFFAOYSA-N 1 3 347.507 1.440 20 0 EDADHO CCCN(C(=O)NCC1(SC)CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000418197159 283002247 /nfs/dbraw/zinc/00/22/47/283002247.db2.gz IYXVFUFGOPKIBH-AWEZNQCLSA-N 1 3 328.526 1.597 20 0 EDADHO CC[C@H](C(=O)N[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413458289 304061268 /nfs/dbraw/zinc/06/12/68/304061268.db2.gz WBTASHNZNPXBHY-IIDMSEBBSA-N 1 3 342.528 1.314 20 0 EDADHO CC[C@H](C(=O)NC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C(C)C)N(C)C ZINC000413458289 304061269 /nfs/dbraw/zinc/06/12/69/304061269.db2.gz WBTASHNZNPXBHY-IIDMSEBBSA-N 1 3 342.528 1.314 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000564831005 306365898 /nfs/dbraw/zinc/36/58/98/306365898.db2.gz YQUCEUBQKOCESN-HOCLYGCPSA-N 1 3 342.447 1.195 20 0 EDADHO CN1CC[C@@](O)(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000564959646 306371416 /nfs/dbraw/zinc/37/14/16/306371416.db2.gz GORPDHCVFKWKHQ-UYAOXDASSA-N 1 3 329.488 1.840 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000414799706 304142103 /nfs/dbraw/zinc/14/21/03/304142103.db2.gz YPXSVHCXIRNURJ-HNNXBMFYSA-N 1 3 346.475 1.581 20 0 EDADHO CC(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414841599 304146935 /nfs/dbraw/zinc/14/69/35/304146935.db2.gz YIVMBUGONLUPEV-CRAIPNDOSA-N 1 3 332.492 1.597 20 0 EDADHO CC[C@H]([NH3+])CNC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414989308 304148147 /nfs/dbraw/zinc/14/81/47/304148147.db2.gz MYWYZYNUJVLQFI-ZDUSSCGKSA-N 1 3 341.477 1.175 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+][C@@H]2CCCCNC2)CC1 ZINC000415067043 304156638 /nfs/dbraw/zinc/15/66/38/304156638.db2.gz JXDIQSKIJGSUGQ-GDBMZVCRSA-N 1 3 339.480 1.298 20 0 EDADHO C[C@@]1(CNC2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000415089071 304158703 /nfs/dbraw/zinc/15/87/03/304158703.db2.gz XGGQHRIRWXKARC-LJQANCHMSA-N 1 3 330.476 1.679 20 0 EDADHO COc1ccc(C(=O)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000415106658 304160477 /nfs/dbraw/zinc/16/04/77/304160477.db2.gz OBZPILMSIDBINF-CVEARBPZSA-N 1 3 331.460 1.841 20 0 EDADHO CC(C)[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)N(C)C ZINC000106434864 204195112 /nfs/dbraw/zinc/19/51/12/204195112.db2.gz GEQIVFVQBGCQCJ-MRXNPFEDSA-N 1 3 348.447 1.681 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1 ZINC000237202664 139044149 /nfs/dbraw/zinc/04/41/49/139044149.db2.gz OOFVUJWXOMELSL-LJQANCHMSA-N 1 3 341.455 1.986 20 0 EDADHO CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269403 139046107 /nfs/dbraw/zinc/04/61/07/139046107.db2.gz IHXNPCPVLXGADL-MOPGFXCFSA-N 1 3 345.487 1.878 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000237719309 139058617 /nfs/dbraw/zinc/05/86/17/139058617.db2.gz GAMRBOZVEFVHRF-SFHVURJKSA-N 1 3 330.476 1.361 20 0 EDADHO O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000238088421 139068555 /nfs/dbraw/zinc/06/85/55/139068555.db2.gz AHFHMLWXQHACHF-IRXDYDNUSA-N 1 3 333.501 1.862 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000157994152 206167122 /nfs/dbraw/zinc/16/71/22/206167122.db2.gz INVNAFAVHMYBKX-WMZOPIPTSA-N 1 3 330.476 1.442 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247972058 139156470 /nfs/dbraw/zinc/15/64/70/139156470.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247972058 139156471 /nfs/dbraw/zinc/15/64/71/139156471.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247972058 139156472 /nfs/dbraw/zinc/15/64/72/139156472.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000247972058 139156473 /nfs/dbraw/zinc/15/64/73/139156473.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 1 3 348.487 1.989 20 0 EDADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H](CN)C3CC3)ccc21 ZINC000415447613 304220943 /nfs/dbraw/zinc/22/09/43/304220943.db2.gz HNNIFOQPBVJJEA-HZPDHXFCSA-N 1 3 330.432 1.028 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(F)cc3cccnc32)C1 ZINC000261628062 139212575 /nfs/dbraw/zinc/21/25/75/139212575.db2.gz HBFHNGFLQCMUMM-AWEZNQCLSA-N 1 3 330.407 1.661 20 0 EDADHO CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCNCC1 ZINC000261638092 139213389 /nfs/dbraw/zinc/21/33/89/139213389.db2.gz DQLWBOSBYWGBFD-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO CCC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CCNCC1 ZINC000261638092 139213390 /nfs/dbraw/zinc/21/33/90/139213390.db2.gz DQLWBOSBYWGBFD-UHFFFAOYSA-N 1 3 339.505 1.901 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(OC)c1 ZINC000261640701 139213656 /nfs/dbraw/zinc/21/36/56/139213656.db2.gz DKFCIDXGHOYXIP-SQNIBIBYSA-N 1 3 349.475 1.701 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261676590 139216636 /nfs/dbraw/zinc/21/66/36/139216636.db2.gz HQECONNBUBFANL-ZDUSSCGKSA-N 1 3 329.366 1.992 20 0 EDADHO CN(CCN1CCN(C[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899386 139235088 /nfs/dbraw/zinc/23/50/88/139235088.db2.gz VROSAVHTTKEOHR-HXUWFJFHSA-N 1 3 330.520 1.736 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991153 139242359 /nfs/dbraw/zinc/24/23/59/139242359.db2.gz SHZBYGNVQGNWCO-LBPRGKRZSA-N 1 3 333.461 1.425 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128279 139253246 /nfs/dbraw/zinc/25/32/46/139253246.db2.gz CVCMPDKVMKUNJS-QKLQHJQFSA-N 1 3 349.519 1.996 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415571569 304228067 /nfs/dbraw/zinc/22/80/67/304228067.db2.gz MSRWGAPRPZEAAN-GOEBONIOSA-N 1 3 346.475 1.663 20 0 EDADHO O=C(NC[C@H]1CCCN(CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297537 139267720 /nfs/dbraw/zinc/26/77/20/139267720.db2.gz WZAVURFDPYURML-NVXWUHKLSA-N 1 3 349.450 1.785 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NCC[C@H]1CCC[NH2+]1 ZINC000417014258 251133105 /nfs/dbraw/zinc/13/31/05/251133105.db2.gz CZAZCXPONKSADY-GOSISDBHSA-N 1 3 330.476 1.876 20 0 EDADHO CC[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417023645 251136453 /nfs/dbraw/zinc/13/64/53/251136453.db2.gz WBYKLGIGLZQZFN-ROUUACIJSA-N 1 3 330.476 1.860 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417437508 251172844 /nfs/dbraw/zinc/17/28/44/251172844.db2.gz HHEHBIVJLQHOFV-GOEBONIOSA-N 1 3 326.485 1.304 20 0 EDADHO C[NH2+]CCCNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417597996 251203991 /nfs/dbraw/zinc/20/39/91/251203991.db2.gz WNDZZKQDUJBAFS-UHFFFAOYSA-N 1 3 334.464 1.570 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417804925 251276965 /nfs/dbraw/zinc/27/69/65/251276965.db2.gz GWZXPINXFCWPBW-HUUCEWRRSA-N 1 3 326.485 1.255 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813893 251280551 /nfs/dbraw/zinc/28/05/51/251280551.db2.gz AMTBHWDDTPBSHW-YSHGAJCASA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCCO1 ZINC000418119453 251333036 /nfs/dbraw/zinc/33/30/36/251333036.db2.gz VAGKORWSUQSWPM-CVEARBPZSA-N 1 3 326.485 1.319 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418121360 251333584 /nfs/dbraw/zinc/33/35/84/251333584.db2.gz WQNZPSMCYRZNBZ-PMPSAXMXSA-N 1 3 326.485 1.399 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152970 251345850 /nfs/dbraw/zinc/34/58/50/251345850.db2.gz UKRMDKZBAIIVGY-ROUUACIJSA-N 1 3 346.475 1.266 20 0 EDADHO [NH3+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418159536 251348628 /nfs/dbraw/zinc/34/86/28/251348628.db2.gz RDQUNWZDFSKRHY-RBUKOAKNSA-N 1 3 338.455 1.913 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000262638670 139292200 /nfs/dbraw/zinc/29/22/00/139292200.db2.gz JETMZSKZINLCEO-DLBZAZTESA-N 1 3 331.460 1.957 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000262640713 139292388 /nfs/dbraw/zinc/29/23/88/139292388.db2.gz KFNXNFYKBRUPAG-QGZVFWFLSA-N 1 3 333.476 1.633 20 0 EDADHO CN(C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262841812 139307211 /nfs/dbraw/zinc/30/72/11/139307211.db2.gz RIDURLGQCQIULO-AEFFLSMTSA-N 1 3 341.459 1.840 20 0 EDADHO COc1cc(OC)c(CCN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000422883618 252009983 /nfs/dbraw/zinc/00/99/83/252009983.db2.gz CNLJPSUNMGCJRC-UHOFOFEASA-N 1 3 338.448 1.597 20 0 EDADHO COc1cc(OC)c(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)c(OC)c1 ZINC000422883618 252009986 /nfs/dbraw/zinc/00/99/86/252009986.db2.gz CNLJPSUNMGCJRC-UHOFOFEASA-N 1 3 338.448 1.597 20 0 EDADHO CN(C)CCOc1cccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897161 252015013 /nfs/dbraw/zinc/01/50/13/252015013.db2.gz JFNBAENDGCEGHG-XUVXKRRUSA-N 1 3 347.503 1.874 20 0 EDADHO O[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902657 252017016 /nfs/dbraw/zinc/01/70/16/252017016.db2.gz UXJHHJVNDTXOMY-XLNGHYISSA-N 1 3 348.443 1.665 20 0 EDADHO CCOC(=O)[C@H]1NCC[C@H]1NCC1CC[NH+](CCC(C)C)CC1 ZINC000422839160 251996714 /nfs/dbraw/zinc/99/67/14/251996714.db2.gz PQIHGAWIBOQDCN-SJORKVTESA-N 1 3 325.497 1.628 20 0 EDADHO CCS(=O)(=O)N(C)CCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422862304 252003266 /nfs/dbraw/zinc/00/32/66/252003266.db2.gz PUCPJJRFHGZQRK-GOEBONIOSA-N 1 3 327.494 1.206 20 0 EDADHO O=C(CCOC1C[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424218776 252167089 /nfs/dbraw/zinc/16/70/89/252167089.db2.gz WYEYTPYKGYWRHG-FUHWJXTLSA-N 1 3 329.444 1.098 20 0 EDADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769676 207394150 /nfs/dbraw/zinc/39/41/50/207394150.db2.gz QDWQTLYTWANQAJ-WBVHZDCISA-N 1 3 339.505 1.426 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000424466505 252240155 /nfs/dbraw/zinc/24/01/55/252240155.db2.gz LLVLAOYAODDMFZ-UHFFFAOYSA-N 1 3 346.475 1.630 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cccnc1 ZINC000263853666 139364775 /nfs/dbraw/zinc/36/47/75/139364775.db2.gz ZHJKKXYQICCLIV-QZEKMECESA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C/c1cccnc1 ZINC000263853666 139364776 /nfs/dbraw/zinc/36/47/76/139364776.db2.gz ZHJKKXYQICCLIV-QZEKMECESA-N 1 3 330.476 1.969 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccncc1OCCN(C)C ZINC000494673652 255257301 /nfs/dbraw/zinc/25/73/01/255257301.db2.gz RLVWBMZRWWOYCP-INIZCTEOSA-N 1 3 348.491 1.903 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccncc1OCCN(C)C ZINC000494673652 255257302 /nfs/dbraw/zinc/25/73/02/255257302.db2.gz RLVWBMZRWWOYCP-INIZCTEOSA-N 1 3 348.491 1.903 20 0 EDADHO CN(C[C@H](O)CN1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496231829 255367426 /nfs/dbraw/zinc/36/74/26/255367426.db2.gz ZXCYFLRECRSVQK-HNNXBMFYSA-N 1 3 329.485 1.488 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCOCC1 ZINC000345756215 285280372 /nfs/dbraw/zinc/28/03/72/285280372.db2.gz ABLLZALOAPGVIB-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCOCC1 ZINC000345756215 285280377 /nfs/dbraw/zinc/28/03/77/285280377.db2.gz ABLLZALOAPGVIB-IRXDYDNUSA-N 1 3 325.497 1.678 20 0 EDADHO CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000118100763 221116625 /nfs/dbraw/zinc/11/66/25/221116625.db2.gz JZEJYIPHBHOPEI-QGZVFWFLSA-N 1 3 346.475 1.186 20 0 EDADHO CCN1CCN(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000357107394 285314957 /nfs/dbraw/zinc/31/49/57/285314957.db2.gz FBCAPYHCFXQVOO-QZTJIDSGSA-N 1 3 338.540 1.498 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000570641656 306547368 /nfs/dbraw/zinc/54/73/68/306547368.db2.gz WJCZLLBZKFTCPG-SFHVURJKSA-N 1 3 344.503 1.428 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@H](C)CC[NH3+])c(C)c2)CC1 ZINC000414752842 285338463 /nfs/dbraw/zinc/33/84/63/285338463.db2.gz PLMRNUXBHZASTF-OAHLLOKOSA-N 1 3 333.480 1.996 20 0 EDADHO CN1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000271393866 140290025 /nfs/dbraw/zinc/29/00/25/140290025.db2.gz DAFXGPOBFOIFSU-UHFFFAOYSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000271815896 140355448 /nfs/dbraw/zinc/35/54/48/140355448.db2.gz MAIGSJOIRPLSDW-UHFFFAOYSA-N 1 3 334.464 1.803 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271815896 140355449 /nfs/dbraw/zinc/35/54/49/140355449.db2.gz MAIGSJOIRPLSDW-UHFFFAOYSA-N 1 3 334.464 1.803 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCN1C ZINC000333356094 141304769 /nfs/dbraw/zinc/30/47/69/141304769.db2.gz KICZKCHLAQRJMB-RANZSIQMSA-N 1 3 330.476 1.853 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(c4ccncc4)CC3)C[C@@H]12 ZINC000333540806 141333914 /nfs/dbraw/zinc/33/39/14/141333914.db2.gz JFKABAICZAXOLX-KBAYOESNSA-N 1 3 343.475 1.677 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333660426 141351862 /nfs/dbraw/zinc/35/18/62/141351862.db2.gz LMAANGNMDZYWFW-JSSFPYSZSA-N 1 3 348.466 1.911 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188150 142296594 /nfs/dbraw/zinc/29/65/94/142296594.db2.gz HEIWKSDKPZHLAN-GUYCJALGSA-N 1 3 337.489 1.643 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000346280559 143186489 /nfs/dbraw/zinc/18/64/89/143186489.db2.gz JJSLVVIGZXZAJS-IAGOWNOFSA-N 1 3 345.491 1.227 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000346575927 143218074 /nfs/dbraw/zinc/21/80/74/143218074.db2.gz VKUHJCNJGHYYFW-OKYOBFRVSA-N 1 3 339.524 1.576 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000346575927 143218075 /nfs/dbraw/zinc/21/80/75/143218075.db2.gz VKUHJCNJGHYYFW-OKYOBFRVSA-N 1 3 339.524 1.576 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)CC1 ZINC000355418736 292168382 /nfs/dbraw/zinc/16/83/82/292168382.db2.gz LGQAUOHFESZBQO-OAHLLOKOSA-N 1 3 340.512 1.611 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416845419 304351293 /nfs/dbraw/zinc/35/12/93/304351293.db2.gz RSAPHKYCVUMQFO-KZNAEPCWSA-N 1 3 328.460 1.512 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)[C@H]2C1 ZINC000353327374 149366178 /nfs/dbraw/zinc/36/61/78/149366178.db2.gz NQHAIDMJRFSARF-IJEWVQPXSA-N 1 3 326.510 1.159 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416973922 304358782 /nfs/dbraw/zinc/35/87/82/304358782.db2.gz KEVOWACEVQAZTD-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO C[C@H]1NCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000416976013 304359359 /nfs/dbraw/zinc/35/93/59/304359359.db2.gz PIEZTDMLIOUILQ-HUUCEWRRSA-N 1 3 334.464 1.519 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 ZINC000354861004 150000579 /nfs/dbraw/zinc/00/05/79/150000579.db2.gz FZVWXOFSYMZIGC-RDJZCZTQSA-N 1 3 337.487 1.795 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000416980118 304360591 /nfs/dbraw/zinc/36/05/91/304360591.db2.gz YDQDVCJGUNJSRQ-UHFFFAOYSA-N 1 3 334.464 1.568 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417038032 304364407 /nfs/dbraw/zinc/36/44/07/304364407.db2.gz UHWNQLVJEVQEAU-OALUTQOASA-N 1 3 342.487 1.686 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358132697 151283111 /nfs/dbraw/zinc/28/31/11/151283111.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000358132697 151283112 /nfs/dbraw/zinc/28/31/12/151283112.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 1 3 340.512 1.166 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000370075291 155314789 /nfs/dbraw/zinc/31/47/89/155314789.db2.gz PBCJEYLFIOQTCL-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO COCCCN(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000370075291 155314790 /nfs/dbraw/zinc/31/47/90/155314790.db2.gz PBCJEYLFIOQTCL-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO CSC1(CNC(=O)NCCNc2ccncc2)CC[NH+](C)CC1 ZINC000360696476 152157184 /nfs/dbraw/zinc/15/71/84/152157184.db2.gz RVEFZZKGAUWXQO-UHFFFAOYSA-N 1 3 337.493 1.042 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360964405 152265477 /nfs/dbraw/zinc/26/54/77/152265477.db2.gz RFFVJZSKJISODZ-ZDUSSCGKSA-N 1 3 329.439 1.721 20 0 EDADHO CN1CCN(C(=O)CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000361129595 152315331 /nfs/dbraw/zinc/31/53/31/152315331.db2.gz WHJIGODCJONSMB-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO CN1CCN(C(=O)CC[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000361129595 152315333 /nfs/dbraw/zinc/31/53/33/152315333.db2.gz WHJIGODCJONSMB-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164611 152324334 /nfs/dbraw/zinc/32/43/34/152324334.db2.gz RKEADWZAODFQFJ-MSOLQXFVSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164611 152324337 /nfs/dbraw/zinc/32/43/37/152324337.db2.gz RKEADWZAODFQFJ-MSOLQXFVSA-N 1 3 341.540 1.824 20 0 EDADHO C[NH2+]CCNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000417150663 304378144 /nfs/dbraw/zinc/37/81/44/304378144.db2.gz FWUJJHREHHVLCN-UHFFFAOYSA-N 1 3 347.507 1.103 20 0 EDADHO CN(C)CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000363857715 153076487 /nfs/dbraw/zinc/07/64/87/153076487.db2.gz ZZJWUSWKDKUNDW-FGTMMUONSA-N 1 3 330.476 1.758 20 0 EDADHO CN(C)CCNC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000363857715 153076490 /nfs/dbraw/zinc/07/64/90/153076490.db2.gz ZZJWUSWKDKUNDW-FGTMMUONSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863381 153078828 /nfs/dbraw/zinc/07/88/28/153078828.db2.gz UGJLQEIYZAFAKI-KXBFYZLASA-N 1 3 342.487 1.893 20 0 EDADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863381 153078833 /nfs/dbraw/zinc/07/88/33/153078833.db2.gz UGJLQEIYZAFAKI-KXBFYZLASA-N 1 3 342.487 1.893 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417197735 304383754 /nfs/dbraw/zinc/38/37/54/304383754.db2.gz QGICIBCJAUIIOR-HKUYNNGSSA-N 1 3 332.492 1.848 20 0 EDADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@]1(F)CCNC1 ZINC000364871176 153356926 /nfs/dbraw/zinc/35/69/26/153356926.db2.gz GPTNNWPBMOPFSB-WMLDXEAASA-N 1 3 335.379 1.236 20 0 EDADHO N[C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000367181067 154032265 /nfs/dbraw/zinc/03/22/65/154032265.db2.gz WRPGEBWUUITNQO-SFHVURJKSA-N 1 3 337.508 1.901 20 0 EDADHO CCCCOC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367623944 154204017 /nfs/dbraw/zinc/20/40/17/154204017.db2.gz SCURCJLFRINIDX-WBVHZDCISA-N 1 3 325.497 1.819 20 0 EDADHO COCCCN1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000369658433 155122323 /nfs/dbraw/zinc/12/23/23/155122323.db2.gz DGMRNAMPSIGEHH-ULQDDVLXSA-N 1 3 325.497 1.819 20 0 EDADHO COCCCN1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417439428 292348913 /nfs/dbraw/zinc/34/89/13/292348913.db2.gz LPNOIYUCCASQDL-SFHVURJKSA-N 1 3 338.496 1.272 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368696896 292349214 /nfs/dbraw/zinc/34/92/14/292349214.db2.gz OMPPVZUEBPBXBU-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368696896 292349216 /nfs/dbraw/zinc/34/92/16/292349216.db2.gz OMPPVZUEBPBXBU-SJORKVTESA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCOCC2)[C@H]1c1cccs1 ZINC000374591682 157339368 /nfs/dbraw/zinc/33/93/68/157339368.db2.gz HKUFPNRLHMDALM-BMFZPTHFSA-N 1 3 337.489 1.611 20 0 EDADHO C[N@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCOCC2)[C@H]1c1cccs1 ZINC000374591682 157339370 /nfs/dbraw/zinc/33/93/70/157339370.db2.gz HKUFPNRLHMDALM-BMFZPTHFSA-N 1 3 337.489 1.611 20 0 EDADHO COCC[C@@]1(C(=O)Nc2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000378200117 158106863 /nfs/dbraw/zinc/10/68/63/158106863.db2.gz CRNROFDKEAKWNU-SFHVURJKSA-N 1 3 335.448 1.582 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CC[C@@H](O)C3)CC2)CC1 ZINC000352252586 162074796 /nfs/dbraw/zinc/07/47/96/162074796.db2.gz FLCVBIGGVZEPJM-RHSMWYFYSA-N 1 3 338.496 1.005 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccon1 ZINC000352276800 162088796 /nfs/dbraw/zinc/08/87/96/162088796.db2.gz XGVYVUKRCMMPJL-GJZGRUSLSA-N 1 3 337.468 1.793 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccon1 ZINC000352276800 162088798 /nfs/dbraw/zinc/08/87/98/162088798.db2.gz XGVYVUKRCMMPJL-GJZGRUSLSA-N 1 3 337.468 1.793 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418170366 304458710 /nfs/dbraw/zinc/45/87/10/304458710.db2.gz OIYOILXYRZHKEV-HNNXBMFYSA-N 1 3 348.491 1.814 20 0 EDADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000072759266 287256900 /nfs/dbraw/zinc/25/69/00/287256900.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 1 3 346.475 1.920 20 0 EDADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000072759266 287256901 /nfs/dbraw/zinc/25/69/01/287256901.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 1 3 346.475 1.920 20 0 EDADHO CC(=O)Nc1cccc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000077762323 287289714 /nfs/dbraw/zinc/28/97/14/287289714.db2.gz HMPZNYSNDYCBHH-UHFFFAOYSA-N 1 3 349.479 1.280 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873080 287375454 /nfs/dbraw/zinc/37/54/54/287375454.db2.gz ASCYOFWKKCCVHA-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873080 287375455 /nfs/dbraw/zinc/37/54/55/287375455.db2.gz ASCYOFWKKCCVHA-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124279717 287396616 /nfs/dbraw/zinc/39/66/16/287396616.db2.gz NQGVZTJJKJIHFX-UHFFFAOYSA-N 1 3 332.448 1.241 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000123345313 222260787 /nfs/dbraw/zinc/26/07/87/222260787.db2.gz KLVKVYSAWGWKCN-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000123345313 222260791 /nfs/dbraw/zinc/26/07/91/222260791.db2.gz KLVKVYSAWGWKCN-INIZCTEOSA-N 1 3 340.512 1.374 20 0 EDADHO CCC[NH2+]CCNC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418464819 304498567 /nfs/dbraw/zinc/49/85/67/304498567.db2.gz BTYLJGGGTVOCLK-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000652345389 452519820 /nfs/dbraw/zinc/51/98/20/452519820.db2.gz AWVZDFIMMRHUIX-YESZJQIVSA-N 1 3 325.497 1.850 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275382256 268333429 /nfs/dbraw/zinc/33/34/29/268333429.db2.gz DPHQJKOPQRKUGJ-UHFFFAOYSA-N 1 3 348.491 1.577 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000275382256 268333430 /nfs/dbraw/zinc/33/34/30/268333430.db2.gz DPHQJKOPQRKUGJ-UHFFFAOYSA-N 1 3 348.491 1.577 20 0 EDADHO CC(C)N1CCN(CCC[NH2+][C@@]2(CO)CCc3ccccc32)CC1 ZINC000374300903 273532448 /nfs/dbraw/zinc/53/24/48/273532448.db2.gz ZBZVJELGZLWVFW-HXUWFJFHSA-N 1 3 331.504 1.826 20 0 EDADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000659860674 452742202 /nfs/dbraw/zinc/74/22/02/452742202.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 1 3 327.513 1.122 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000365085337 276123026 /nfs/dbraw/zinc/12/30/26/276123026.db2.gz DOCKERNMPQNDQF-DLBZAZTESA-N 1 3 338.496 1.367 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377637688 276158076 /nfs/dbraw/zinc/15/80/76/276158076.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377637688 276158077 /nfs/dbraw/zinc/15/80/77/276158077.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 1 3 336.524 1.488 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC000442880340 276287573 /nfs/dbraw/zinc/28/75/73/276287573.db2.gz YKHXRFANNYGJBS-GVDBMIGSSA-N 1 3 339.524 1.970 20 0 EDADHO CN1CCC[C@@H]2C[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068859 /nfs/dbraw/zinc/06/88/59/277068859.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 1 3 341.496 1.678 20 0 EDADHO CN1CCC[C@@H]2C[N@@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068861 /nfs/dbraw/zinc/06/88/61/277068861.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 1 3 341.496 1.678 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000369611376 277222957 /nfs/dbraw/zinc/22/29/57/277222957.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000369611376 277222958 /nfs/dbraw/zinc/22/29/58/277222958.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 1 3 340.512 1.471 20 0 EDADHO CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCOC1 ZINC000347281636 288064324 /nfs/dbraw/zinc/06/43/24/288064324.db2.gz YLCAKNOIUPENPJ-FHWLQOOXSA-N 1 3 347.503 1.680 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000362385232 279124405 /nfs/dbraw/zinc/12/44/05/279124405.db2.gz VADGQWLRQYESED-INIZCTEOSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000247040101 288107023 /nfs/dbraw/zinc/10/70/23/288107023.db2.gz MRUXGJOZTKQDLC-VQHPVUNQSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@]1(N2CCOCC2)CCSC1 ZINC000247040101 288107025 /nfs/dbraw/zinc/10/70/25/288107025.db2.gz MRUXGJOZTKQDLC-VQHPVUNQSA-N 1 3 327.538 1.513 20 0 EDADHO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333829551 279195550 /nfs/dbraw/zinc/19/55/50/279195550.db2.gz JECJQFQTHCHASS-KBMXLJTQSA-N 1 3 336.480 1.613 20 0 EDADHO C[C@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)N(C)C1CC1 ZINC000362812765 279330093 /nfs/dbraw/zinc/33/00/93/279330093.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H](CNC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)N(C)C1CC1 ZINC000362812765 279330095 /nfs/dbraw/zinc/33/00/95/279330095.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 1 3 338.496 1.100 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000360121666 279374795 /nfs/dbraw/zinc/37/47/95/279374795.db2.gz AHMYEJYWILRJSK-HOTGVXAUSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000360121666 279374797 /nfs/dbraw/zinc/37/47/97/279374797.db2.gz AHMYEJYWILRJSK-HOTGVXAUSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@H](C)O1 ZINC000373860607 288151922 /nfs/dbraw/zinc/15/19/22/288151922.db2.gz UGQLOSBUTMYCBS-YNVMFWSZSA-N 1 3 349.519 1.724 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287382474 288224725 /nfs/dbraw/zinc/22/47/25/288224725.db2.gz LMDDSKCALSVYCA-HNNXBMFYSA-N 1 3 341.887 1.411 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287382474 288224726 /nfs/dbraw/zinc/22/47/26/288224726.db2.gz LMDDSKCALSVYCA-HNNXBMFYSA-N 1 3 341.887 1.411 20 0 EDADHO COCC[N@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287491232 288249330 /nfs/dbraw/zinc/24/93/30/288249330.db2.gz XOKSLSUWQVWVMQ-MRXNPFEDSA-N 1 3 340.443 1.306 20 0 EDADHO COCC[N@@H+](C)CCNC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000287491232 288249333 /nfs/dbraw/zinc/24/93/33/288249333.db2.gz XOKSLSUWQVWVMQ-MRXNPFEDSA-N 1 3 340.443 1.306 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CNC(=O)C12CCCN1CCC2 ZINC000290613214 288925169 /nfs/dbraw/zinc/92/51/69/288925169.db2.gz KKQCPUCOUITLDA-UHFFFAOYSA-N 1 3 346.475 1.657 20 0 EDADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000119867379 289220235 /nfs/dbraw/zinc/22/02/35/289220235.db2.gz ZIQJDTRXALQSDB-IEBWSBKVSA-N 1 3 348.491 1.435 20 0 EDADHO CN1CCC(CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000292081630 289257006 /nfs/dbraw/zinc/25/70/06/289257006.db2.gz HUWXTEAZRWRGKV-KRWDZBQOSA-N 1 3 345.491 1.892 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303302 289277976 /nfs/dbraw/zinc/27/79/76/289277976.db2.gz CRZBAZOUQKOTIB-AEFFLSMTSA-N 1 3 332.492 1.466 20 0 EDADHO CN(C[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478519 289376129 /nfs/dbraw/zinc/37/61/29/289376129.db2.gz YDDZHRPVDNLBIL-QLFBSQMISA-N 1 3 329.485 1.677 20 0 EDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496478519 289376134 /nfs/dbraw/zinc/37/61/34/289376134.db2.gz YDDZHRPVDNLBIL-QLFBSQMISA-N 1 3 329.485 1.677 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000417822487 289399496 /nfs/dbraw/zinc/39/94/96/289399496.db2.gz IMWDLQJMMOHABI-INIZCTEOSA-N 1 3 326.510 1.209 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000419642160 304648318 /nfs/dbraw/zinc/64/83/18/304648318.db2.gz FNJQDBOOYBDERZ-KGLIPLIRSA-N 1 3 334.464 1.086 20 0 EDADHO CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN)C(C)C ZINC000419665477 304655180 /nfs/dbraw/zinc/65/51/80/304655180.db2.gz OPBCCVQVBOGKLR-HZPDHXFCSA-N 1 3 340.512 1.197 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419720787 304670925 /nfs/dbraw/zinc/67/09/25/304670925.db2.gz IVEOEEHRHVRNLM-GFCCVEGCSA-N 1 3 326.485 1.046 20 0 EDADHO O=C(CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420298529 304745600 /nfs/dbraw/zinc/74/56/00/304745600.db2.gz HOATXBLFNLYOCO-LJQANCHMSA-N 1 3 344.503 1.310 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)N(C)C1CC1 ZINC000414882150 447342298 /nfs/dbraw/zinc/34/22/98/447342298.db2.gz RRTYPHJATPIAQN-LLVKDONJSA-N 1 3 348.422 1.009 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117159 304887378 /nfs/dbraw/zinc/88/73/78/304887378.db2.gz UCHOTDXBVNUKRG-DZGCQCFKSA-N 1 3 334.464 1.709 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000423724348 304906042 /nfs/dbraw/zinc/90/60/42/304906042.db2.gz HVAOMTHLCILYOC-UHFFFAOYSA-N 1 3 346.519 1.780 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423752232 304908224 /nfs/dbraw/zinc/90/82/24/304908224.db2.gz VRANPVVDXQZKQS-QAPCUYQASA-N 1 3 337.414 1.855 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385363 305107144 /nfs/dbraw/zinc/10/71/44/305107144.db2.gz XWQRAPYSPPCXDK-QLFBSQMISA-N 1 3 334.468 1.195 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 ZINC000434662184 305126814 /nfs/dbraw/zinc/12/68/14/305126814.db2.gz BHDXOKNRVVTUMP-UHFFFAOYSA-N 1 3 336.524 1.345 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCc1ccc2c(c1)CCO2 ZINC000436051382 305151382 /nfs/dbraw/zinc/15/13/82/305151382.db2.gz AVVZWWDSWDLWJU-KRWDZBQOSA-N 1 3 331.460 1.484 20 0 EDADHO CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441307355 305220556 /nfs/dbraw/zinc/22/05/56/305220556.db2.gz VNMHKGFLUODYTJ-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCSC1 ZINC000449326792 305311444 /nfs/dbraw/zinc/31/14/44/305311444.db2.gz ZEUBMQMCJKYDID-QZTJIDSGSA-N 1 3 333.501 1.471 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414913008 447354693 /nfs/dbraw/zinc/35/46/93/447354693.db2.gz VMVFEWGYEAAUNA-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414913008 447354697 /nfs/dbraw/zinc/35/46/97/447354697.db2.gz VMVFEWGYEAAUNA-OAHLLOKOSA-N 1 3 346.475 1.535 20 0 EDADHO c1c(CNCC2(N3CCCC3)CCOCC2)onc1C1CC[NH2+]CC1 ZINC000425903495 447354840 /nfs/dbraw/zinc/35/48/40/447354840.db2.gz WBPMKWYMKCCISC-UHFFFAOYSA-N 1 3 348.491 1.876 20 0 EDADHO [NH3+]CCOCCN1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000530231555 305935230 /nfs/dbraw/zinc/93/52/30/305935230.db2.gz KFYAHHZSUPUHSV-UHFFFAOYSA-N 1 3 338.452 1.193 20 0 EDADHO CCc1noc2ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000530641883 305944545 /nfs/dbraw/zinc/94/45/45/305944545.db2.gz ZAVDHNLPCTWOJO-UHFFFAOYSA-N 1 3 333.436 1.351 20 0 EDADHO C[C@H](CCNC(=O)C(=O)N[C@@H](CN)C1CCCC1)[NH+]1CCCCC1 ZINC000419716975 447369983 /nfs/dbraw/zinc/36/99/83/447369983.db2.gz SSHBSSGRPSARER-ZBFHGGJFSA-N 1 3 338.496 1.001 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCN(C2CC2)C1 ZINC000458521331 447399683 /nfs/dbraw/zinc/39/96/83/447399683.db2.gz SSUWCSURXDIARR-YOEHRIQHSA-N 1 3 340.537 1.549 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415428053 447429639 /nfs/dbraw/zinc/42/96/39/447429639.db2.gz OBAQBKGAZBXKCX-RDJZCZTQSA-N 1 3 346.475 1.664 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccncc2)on1 ZINC000103212733 441177625 /nfs/dbraw/zinc/17/76/25/441177625.db2.gz WZTLXUBXGGAOBT-UHFFFAOYSA-N 1 3 331.420 1.302 20 0 EDADHO COc1cccc([C@H]2C[C@H]2C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000106773114 441368338 /nfs/dbraw/zinc/36/83/38/441368338.db2.gz NYBWAJYSWZNJAV-QZTJIDSGSA-N 1 3 333.476 1.751 20 0 EDADHO CCc1cnc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000074843038 441471747 /nfs/dbraw/zinc/47/17/47/441471747.db2.gz BDSICEOACVDZEH-UHFFFAOYSA-N 1 3 327.498 1.340 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000111832050 441541756 /nfs/dbraw/zinc/54/17/56/441541756.db2.gz BMMAWXUEZSTYCG-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000121763865 441775037 /nfs/dbraw/zinc/77/50/37/441775037.db2.gz NYYCINJURCENJF-HKUYNNGSSA-N 1 3 348.491 1.435 20 0 EDADHO CC(C)COC[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953070 441868686 /nfs/dbraw/zinc/86/86/86/441868686.db2.gz MSGIUXGPFOGRTB-KRWDZBQOSA-N 1 3 328.497 1.597 20 0 EDADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)(CO)CO ZINC000093502749 441888302 /nfs/dbraw/zinc/88/83/02/441888302.db2.gz CYARMKURQRMNLX-UHFFFAOYSA-N 1 3 349.519 1.640 20 0 EDADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1OC ZINC000119706029 441947162 /nfs/dbraw/zinc/94/71/62/441947162.db2.gz RVTRMXBZVNJBFS-UHFFFAOYSA-N 1 3 338.452 1.661 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174718691 441957196 /nfs/dbraw/zinc/95/71/96/441957196.db2.gz MIKOBOOOTMIAIN-QGZVFWFLSA-N 1 3 338.540 1.497 20 0 EDADHO COCCCN(C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175236268 442022653 /nfs/dbraw/zinc/02/26/53/442022653.db2.gz TWTFRRSSKOICAY-UHFFFAOYSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175608108 442092711 /nfs/dbraw/zinc/09/27/11/442092711.db2.gz HPDWFZAQVSJQPT-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO Cc1noc(C)c1[C@@H](C)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000151517976 442076451 /nfs/dbraw/zinc/07/64/51/442076451.db2.gz IRUKUJGELCUCHG-ZDUSSCGKSA-N 1 3 339.484 1.530 20 0 EDADHO CN1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968551 442159613 /nfs/dbraw/zinc/15/96/13/442159613.db2.gz FEELTYLXFXPDFQ-IBGZPJMESA-N 1 3 345.487 1.914 20 0 EDADHO CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000130619293 442351483 /nfs/dbraw/zinc/35/14/83/442351483.db2.gz GXSSPHAOCFWHQG-IAGOWNOFSA-N 1 3 345.491 1.180 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)Cc1ccccc1 ZINC000129320110 442311668 /nfs/dbraw/zinc/31/16/68/442311668.db2.gz YSHWQOYFEVRTBG-ZWKOTPCHSA-N 1 3 332.492 1.752 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171663043 442367524 /nfs/dbraw/zinc/36/75/24/442367524.db2.gz JKWWDYQDNSVLQT-KRWDZBQOSA-N 1 3 338.496 1.367 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1CN1CCC(O)CC1 ZINC000178832713 442498236 /nfs/dbraw/zinc/49/82/36/442498236.db2.gz RVEKOBKDPKJADA-QGZVFWFLSA-N 1 3 331.460 1.402 20 0 EDADHO COc1cc(OC)cc(N2CC[C@@H](N(C)CC3CC[NH2+]CC3)C2=O)c1 ZINC000178976496 442543166 /nfs/dbraw/zinc/54/31/66/442543166.db2.gz NKIKIXUOGKYMQI-GOSISDBHSA-N 1 3 347.459 1.741 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000186711368 442597800 /nfs/dbraw/zinc/59/78/00/442597800.db2.gz XTWNBXPCTHFXJO-LPHOPBHVSA-N 1 3 344.503 1.945 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231278 442619462 /nfs/dbraw/zinc/61/94/62/442619462.db2.gz BRJSNWLSTKNBLC-MSOLQXFVSA-N 1 3 333.476 1.734 20 0 EDADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N(C)C ZINC000192231278 442619465 /nfs/dbraw/zinc/61/94/65/442619465.db2.gz BRJSNWLSTKNBLC-MSOLQXFVSA-N 1 3 333.476 1.734 20 0 EDADHO COCCO[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192780202 442685702 /nfs/dbraw/zinc/68/57/02/442685702.db2.gz ZIZREXTWZOJGIF-SFHVURJKSA-N 1 3 327.513 1.530 20 0 EDADHO COCCO[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192780202 442685704 /nfs/dbraw/zinc/68/57/04/442685704.db2.gz ZIZREXTWZOJGIF-SFHVURJKSA-N 1 3 327.513 1.530 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2c1CNCC2)c1ccccc1 ZINC000188181605 442721064 /nfs/dbraw/zinc/72/10/64/442721064.db2.gz OMMIKSURQGTUPP-KRWDZBQOSA-N 1 3 341.459 1.868 20 0 EDADHO CN(C[C@@H]1CCCOC1)CC1(C[N@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157874 442740867 /nfs/dbraw/zinc/74/08/67/442740867.db2.gz XCILETWLKUDQDI-ROUUACIJSA-N 1 3 340.508 1.720 20 0 EDADHO CN(C[C@@H]1CCCOC1)CC1(C[N@@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157874 442740869 /nfs/dbraw/zinc/74/08/69/442740869.db2.gz XCILETWLKUDQDI-ROUUACIJSA-N 1 3 340.508 1.720 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ncn1 ZINC000246497507 442786763 /nfs/dbraw/zinc/78/67/63/442786763.db2.gz SKLVSHHZLSPFBK-QKPAOTATSA-N 1 3 332.496 1.805 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ncn1 ZINC000246497507 442786765 /nfs/dbraw/zinc/78/67/65/442786765.db2.gz SKLVSHHZLSPFBK-QKPAOTATSA-N 1 3 332.496 1.805 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182596745 442792599 /nfs/dbraw/zinc/79/25/99/442792599.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182596745 442792602 /nfs/dbraw/zinc/79/26/02/442792602.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO C[NH+](C)CCCOc1cccc(NC(=O)c2n[nH]c3c2CNCC3)c1 ZINC000188770252 442809117 /nfs/dbraw/zinc/80/91/17/442809117.db2.gz KNSZJOUFBLSSQX-UHFFFAOYSA-N 1 3 343.431 1.638 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247310207 442846888 /nfs/dbraw/zinc/84/68/88/442846888.db2.gz VIQPPEGQLJFUOC-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247310207 442846891 /nfs/dbraw/zinc/84/68/91/442846891.db2.gz VIQPPEGQLJFUOC-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255447 442919484 /nfs/dbraw/zinc/91/94/84/442919484.db2.gz XXKMDSAFELVDOB-WMLDXEAASA-N 1 3 331.460 1.840 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252348597 443022469 /nfs/dbraw/zinc/02/24/69/443022469.db2.gz CUPYJADLOFPAFK-QZTJIDSGSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000252348597 443022473 /nfs/dbraw/zinc/02/24/73/443022473.db2.gz CUPYJADLOFPAFK-QZTJIDSGSA-N 1 3 332.492 1.800 20 0 EDADHO CNS(=O)(=O)CC[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000190312088 443083821 /nfs/dbraw/zinc/08/38/21/443083821.db2.gz UCLWTBXNCKEUGF-UHFFFAOYSA-N 1 3 327.494 1.283 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CCN1Cc1ccccc1 ZINC000268869545 443132274 /nfs/dbraw/zinc/13/22/74/443132274.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000268869545 443132277 /nfs/dbraw/zinc/13/22/77/443132277.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2C)CC[N@H+]1Cc1ccccc1 ZINC000268869545 443132279 /nfs/dbraw/zinc/13/22/79/443132279.db2.gz GALUUZNKFFFOPF-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086054 443133909 /nfs/dbraw/zinc/13/39/09/443133909.db2.gz GNPVTTYKDVMCSJ-QGZVFWFLSA-N 1 3 339.528 1.188 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000236708755 443145642 /nfs/dbraw/zinc/14/56/42/443145642.db2.gz LBUIGHQJOOVDDE-KRWDZBQOSA-N 1 3 325.497 1.726 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000236708755 443145645 /nfs/dbraw/zinc/14/56/45/443145645.db2.gz LBUIGHQJOOVDDE-KRWDZBQOSA-N 1 3 325.497 1.726 20 0 EDADHO COCCNCC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262643126 443205867 /nfs/dbraw/zinc/20/58/67/443205867.db2.gz MBRMKRCGWMUDMF-MNZLEMJZSA-N 1 3 333.476 1.495 20 0 EDADHO COCCNCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262643126 443205871 /nfs/dbraw/zinc/20/58/71/443205871.db2.gz MBRMKRCGWMUDMF-MNZLEMJZSA-N 1 3 333.476 1.495 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000262945888 443218057 /nfs/dbraw/zinc/21/80/57/443218057.db2.gz UZOJCNGPCZVWGN-QZTJIDSGSA-N 1 3 333.476 1.940 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)[C@H]2CC[C@H](C)C2)CC1 ZINC000411645936 319191286 /nfs/dbraw/zinc/19/12/86/319191286.db2.gz LSRIYJRFHMIRSO-RDJZCZTQSA-N 1 3 325.497 1.458 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000411787239 319204191 /nfs/dbraw/zinc/20/41/91/319204191.db2.gz DNNPUPASBJHDKS-HZPDHXFCSA-N 1 3 325.497 1.769 20 0 EDADHO C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)N(C)C1CC1 ZINC000411989409 319219392 /nfs/dbraw/zinc/21/93/92/319219392.db2.gz WVWHQQMVLJTPQL-XJKSGUPXSA-N 1 3 325.522 1.803 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000269261956 443256320 /nfs/dbraw/zinc/25/63/20/443256320.db2.gz WNTGEHKTXRVIKP-RDJZCZTQSA-N 1 3 344.459 1.465 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000269261956 443256323 /nfs/dbraw/zinc/25/63/23/443256323.db2.gz WNTGEHKTXRVIKP-RDJZCZTQSA-N 1 3 344.459 1.465 20 0 EDADHO COC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414189394 319318564 /nfs/dbraw/zinc/31/85/64/319318564.db2.gz JRHWHVHIMOSROE-GOSISDBHSA-N 1 3 339.524 1.578 20 0 EDADHO CN1CCC(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)(N2CCOCC2)CC1 ZINC000414194131 319318961 /nfs/dbraw/zinc/31/89/61/319318961.db2.gz NJWRMRPQZPGNCK-MRXNPFEDSA-N 1 3 339.524 1.719 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000414661384 319337845 /nfs/dbraw/zinc/33/78/45/319337845.db2.gz PWSOEVNSUMSRLQ-UHFFFAOYSA-N 1 3 346.475 1.725 20 0 EDADHO C[C@H]1C[C@@H](CN2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690312 319342706 /nfs/dbraw/zinc/34/27/06/319342706.db2.gz NEDLWZBHLUDWLX-KBPBESRZSA-N 1 3 327.423 1.784 20 0 EDADHO CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415234294 319354785 /nfs/dbraw/zinc/35/47/85/319354785.db2.gz XUHQOHPOTFQNGX-UONOGXRCSA-N 1 3 334.464 1.881 20 0 EDADHO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415957004 319384774 /nfs/dbraw/zinc/38/47/74/319384774.db2.gz SNWMRGZMEUZRKY-UHFFFAOYSA-N 1 3 349.483 1.128 20 0 EDADHO Cc1cccc2nc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000420315408 319609501 /nfs/dbraw/zinc/60/95/01/319609501.db2.gz MCDUCZAAEMPLMY-MRXNPFEDSA-N 1 3 326.444 1.824 20 0 EDADHO c1cc2c(s1)CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422730696 319734213 /nfs/dbraw/zinc/73/42/13/319734213.db2.gz FGTVRNFXVIBBDT-IXDOHACOSA-N 1 3 335.517 1.853 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H]2C[C@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161287 319753717 /nfs/dbraw/zinc/75/37/17/319753717.db2.gz IPLGKYWCLBNHRZ-ZNMIVQPWSA-N 1 3 337.464 1.051 20 0 EDADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402198 319771597 /nfs/dbraw/zinc/77/15/97/319771597.db2.gz WNMUDSLPYRKGCW-NWANDNLSSA-N 1 3 325.478 1.857 20 0 EDADHO CC(C)[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)N1CCOCC1 ZINC000425904729 319875467 /nfs/dbraw/zinc/87/54/67/319875467.db2.gz ZWUPPGRCEUOCDV-SFHVURJKSA-N 1 3 336.480 1.588 20 0 EDADHO Cc1nccn1C[C@H]1CCCN1C(=O)CCCN1CCC([NH3+])CC1 ZINC000433139117 319971153 /nfs/dbraw/zinc/97/11/53/319971153.db2.gz VQVGCIFZIGUNRY-QGZVFWFLSA-N 1 3 333.480 1.386 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000447442905 320142074 /nfs/dbraw/zinc/14/20/74/320142074.db2.gz SUHSFLPLCBFQHX-MSOLQXFVSA-N 1 3 347.503 1.939 20 0 EDADHO N[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000449508905 320193301 /nfs/dbraw/zinc/19/33/01/320193301.db2.gz IERIBNMXVFBAEB-ZVDOUQERSA-N 1 3 335.451 1.871 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457628277 320331924 /nfs/dbraw/zinc/33/19/24/320331924.db2.gz ANBYURDRPMCWLP-UHFFFAOYSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000457724542 320333523 /nfs/dbraw/zinc/33/35/23/320333523.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)N[C@@H]1CCCN(CCCO)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000457724542 320333524 /nfs/dbraw/zinc/33/35/24/320333524.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@@H+]1CCCC[C@H]1C ZINC000457724560 320333651 /nfs/dbraw/zinc/33/36/51/320333651.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)[N@H+]1CCCC[C@H]1C ZINC000457724560 320333652 /nfs/dbraw/zinc/33/36/52/320333652.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CCN(C2CC2)C1 ZINC000458708555 320338890 /nfs/dbraw/zinc/33/88/90/320338890.db2.gz RIAWEAKUVNCCGV-HNNXBMFYSA-N 1 3 334.508 1.987 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+]2C[C@H](OC)[C@@H](OC)C2)CC1 ZINC000488543720 320358522 /nfs/dbraw/zinc/35/85/22/320358522.db2.gz KEXPRCPWGWBHMZ-OALUTQOASA-N 1 3 333.476 1.674 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000286307935 443687158 /nfs/dbraw/zinc/68/71/58/443687158.db2.gz XUHANEFJFONNNM-CQSZACIVSA-N 1 3 325.403 1.855 20 0 EDADHO CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298515843 443788733 /nfs/dbraw/zinc/78/87/33/443788733.db2.gz RFNVCWSENZCDOT-UHFFFAOYSA-N 1 3 340.493 1.312 20 0 EDADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N(C)C)c1)[NH+](C)C ZINC000298626684 443822133 /nfs/dbraw/zinc/82/21/33/443822133.db2.gz SEXKILVESNWXQM-OKILXGFUSA-N 1 3 334.464 1.046 20 0 EDADHO C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1)N(C)C ZINC000298626684 443822138 /nfs/dbraw/zinc/82/21/38/443822138.db2.gz SEXKILVESNWXQM-OKILXGFUSA-N 1 3 334.464 1.046 20 0 EDADHO Cc1cc(N2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)nc(C)n1 ZINC000561270492 321038567 /nfs/dbraw/zinc/03/85/67/321038567.db2.gz RDLWOAJFALWKRR-CYBMUJFWSA-N 1 3 331.464 1.520 20 0 EDADHO [NH3+]C[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc2ccccc2c1 ZINC000562817153 321078550 /nfs/dbraw/zinc/07/85/50/321078550.db2.gz UHWRCNYBDSJQMQ-QGZVFWFLSA-N 1 3 340.427 1.223 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000563883898 321114249 /nfs/dbraw/zinc/11/42/49/321114249.db2.gz YFERCDYGAIVFOO-RDTXWAMCSA-N 1 3 349.450 1.783 20 0 EDADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825452 321150552 /nfs/dbraw/zinc/15/05/52/321150552.db2.gz IJGKEKCUYOTPLG-PASDCYSWSA-N 1 3 329.444 1.747 20 0 EDADHO CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000566107553 321215834 /nfs/dbraw/zinc/21/58/34/321215834.db2.gz MZCHNVXVWNFQCA-QAPCUYQASA-N 1 3 349.475 1.706 20 0 EDADHO C[NH+](C)CCCCC(=O)NCc1ccccc1CN1CCC[C@@H]1CO ZINC000566907838 321236004 /nfs/dbraw/zinc/23/60/04/321236004.db2.gz UWNAODLOLQWPRI-LJQANCHMSA-N 1 3 347.503 1.991 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567983118 321271187 /nfs/dbraw/zinc/27/11/87/321271187.db2.gz OZCHNQVBQXHFSC-YLJYHZDGSA-N 1 3 344.503 1.060 20 0 EDADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](O)CC ZINC000568293900 321287076 /nfs/dbraw/zinc/28/70/76/321287076.db2.gz WYAAQYYDAVMQST-MSOLQXFVSA-N 1 3 339.524 1.848 20 0 EDADHO CCC[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568661067 321301220 /nfs/dbraw/zinc/30/12/20/321301220.db2.gz FDLLNBHEUFWZTG-QGZVFWFLSA-N 1 3 325.497 1.460 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccn3C)CC2)CC1 ZINC000569256905 321323358 /nfs/dbraw/zinc/32/33/58/321323358.db2.gz ODAHITSUFKSXEP-UHFFFAOYSA-N 1 3 332.492 1.838 20 0 EDADHO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000294639090 444131196 /nfs/dbraw/zinc/13/11/96/444131196.db2.gz LYRGMAZQKWWTEC-XBVQOTNRSA-N 1 3 346.427 1.204 20 0 EDADHO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000294639090 444131199 /nfs/dbraw/zinc/13/11/99/444131199.db2.gz LYRGMAZQKWWTEC-XBVQOTNRSA-N 1 3 346.427 1.204 20 0 EDADHO CC1CCN(CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000574503574 321486698 /nfs/dbraw/zinc/48/66/98/321486698.db2.gz LCJBWAQCSOPCKJ-ZWKOTPCHSA-N 1 3 330.476 1.773 20 0 EDADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000305144217 444260989 /nfs/dbraw/zinc/26/09/89/444260989.db2.gz XOOYFYLBRAUFLS-DLBZAZTESA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)N1CCCCCC1 ZINC000305144217 444260993 /nfs/dbraw/zinc/26/09/93/444260993.db2.gz XOOYFYLBRAUFLS-DLBZAZTESA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000305174193 444262762 /nfs/dbraw/zinc/26/27/62/444262762.db2.gz QLPCIHKBXRBSGD-KRWDZBQOSA-N 1 3 325.497 1.316 20 0 EDADHO C[C@@](O)(C[NH2+]C1CCN(C2CCCCC2)CC1)CN1CCOCC1 ZINC000305194826 444263953 /nfs/dbraw/zinc/26/39/53/444263953.db2.gz YYUMEBQXQNKVDA-LJQANCHMSA-N 1 3 339.524 1.456 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000297020167 444268682 /nfs/dbraw/zinc/26/86/82/444268682.db2.gz IBOQEEZKFOFPGG-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279480 /nfs/dbraw/zinc/27/94/80/444279480.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 1 3 331.504 1.942 20 0 EDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279482 /nfs/dbraw/zinc/27/94/82/444279482.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 1 3 331.504 1.942 20 0 EDADHO CC[N@H+]1CC[C@H](NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279484 /nfs/dbraw/zinc/27/94/84/444279484.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 1 3 331.504 1.942 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCNCc1cccnc1 ZINC000578191322 321735780 /nfs/dbraw/zinc/73/57/80/321735780.db2.gz AXYRZOITDHRYAK-GOSISDBHSA-N 1 3 348.491 1.471 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000297795214 444335608 /nfs/dbraw/zinc/33/56/08/444335608.db2.gz MZDJQKSZYTWWOL-QGZVFWFLSA-N 1 3 348.491 1.759 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237915 /nfs/dbraw/zinc/23/79/15/322237915.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 1 3 325.497 1.581 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237917 /nfs/dbraw/zinc/23/79/17/322237917.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 1 3 325.497 1.581 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343766624 444576356 /nfs/dbraw/zinc/57/63/56/444576356.db2.gz FZGVCSNWUGOKHJ-XYTVBORESA-N 1 3 349.519 1.818 20 0 EDADHO [NH3+]C[C@H]1CCCN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000333432146 444668179 /nfs/dbraw/zinc/66/81/79/444668179.db2.gz UTQWAUNYSPUAIA-OAHLLOKOSA-N 1 3 340.537 1.871 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830318 444701603 /nfs/dbraw/zinc/70/16/03/444701603.db2.gz MLJHDFFRGCDNIP-UXLLHSPISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000333830316 444701630 /nfs/dbraw/zinc/70/16/30/444701630.db2.gz MLJHDFFRGCDNIP-INMHGKMJSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CCCN(C)CC[NH+](C)C ZINC000344046915 444748141 /nfs/dbraw/zinc/74/81/41/444748141.db2.gz XZPIARMXNASZQN-KURKYZTESA-N 1 3 340.556 1.695 20 0 EDADHO CN(C[C@H](O)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796976 /nfs/dbraw/zinc/79/69/76/444796976.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 1 3 343.515 1.895 20 0 EDADHO CN(C[C@H](O)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793780 444796982 /nfs/dbraw/zinc/79/69/82/444796982.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 1 3 343.515 1.895 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764270 444854633 /nfs/dbraw/zinc/85/46/33/444854633.db2.gz HARMNIPRNBGTCE-HZSPNIEDSA-N 1 3 327.469 1.140 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764270 444854636 /nfs/dbraw/zinc/85/46/36/444854636.db2.gz HARMNIPRNBGTCE-HZSPNIEDSA-N 1 3 327.469 1.140 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCC(C)CC1)C[NH+]1CCCC1 ZINC000344544655 445048940 /nfs/dbraw/zinc/04/89/40/445048940.db2.gz RNUYMDXPRGWTNY-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO COC(=O)C1CCN(C(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000330718444 445110299 /nfs/dbraw/zinc/11/02/99/445110299.db2.gz ATNYTRIDNPJASF-CQSZACIVSA-N 1 3 339.480 1.060 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651423 445187580 /nfs/dbraw/zinc/18/75/80/445187580.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651423 445187583 /nfs/dbraw/zinc/18/75/83/445187583.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 1 3 326.485 1.127 20 0 EDADHO CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C1 ZINC000346182826 445207872 /nfs/dbraw/zinc/20/78/72/445207872.db2.gz DXXYGNJBGGBHPH-HRCADAONSA-N 1 3 326.485 1.221 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343363020 445210450 /nfs/dbraw/zinc/21/04/50/445210450.db2.gz GBUZQXQBMZFAGH-QAPCUYQASA-N 1 3 335.496 1.113 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000343604537 445260133 /nfs/dbraw/zinc/26/01/33/445260133.db2.gz KURXASUKARQATD-YLJYHZDGSA-N 1 3 330.520 1.864 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359732797 445397163 /nfs/dbraw/zinc/39/71/63/445397163.db2.gz KUJYOLIIUJDHIJ-MRXNPFEDSA-N 1 3 340.512 1.166 20 0 EDADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255125 445452064 /nfs/dbraw/zinc/45/20/64/445452064.db2.gz PDIYMXWGSHZPAK-CVEARBPZSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000356040467 445585600 /nfs/dbraw/zinc/58/56/00/445585600.db2.gz SRLLVHYXRHCUIR-QFBILLFUSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878419 445593095 /nfs/dbraw/zinc/59/30/95/445593095.db2.gz VWTFWVHTTHVRKU-KSSFIOAISA-N 1 3 331.460 1.780 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000362878419 445593098 /nfs/dbraw/zinc/59/30/98/445593098.db2.gz VWTFWVHTTHVRKU-KSSFIOAISA-N 1 3 331.460 1.780 20 0 EDADHO CCC[N@H+](C)CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665454 /nfs/dbraw/zinc/66/54/54/445665454.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO CCC[N@@H+](C)CC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665457 /nfs/dbraw/zinc/66/54/57/445665457.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 1 3 346.519 1.823 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCC1 ZINC000356284254 445717322 /nfs/dbraw/zinc/71/73/22/445717322.db2.gz SVZFUXHEQCYBAL-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCC1(O)CCC1 ZINC000356284254 445717324 /nfs/dbraw/zinc/71/73/24/445717324.db2.gz SVZFUXHEQCYBAL-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000358694326 445721426 /nfs/dbraw/zinc/72/14/26/445721426.db2.gz QCKFNMJXRWGNRD-IAGOWNOFSA-N 1 3 345.491 1.098 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000358697549 445724246 /nfs/dbraw/zinc/72/42/46/445724246.db2.gz WGXSCQVDKZBXNC-IBGZPJMESA-N 1 3 348.491 1.394 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358708699 445732965 /nfs/dbraw/zinc/73/29/65/445732965.db2.gz QRCZMHGBDNFCIX-RDJZCZTQSA-N 1 3 326.485 1.007 20 0 EDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358708699 445732967 /nfs/dbraw/zinc/73/29/67/445732967.db2.gz QRCZMHGBDNFCIX-RDJZCZTQSA-N 1 3 326.485 1.007 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863910 445817734 /nfs/dbraw/zinc/81/77/34/445817734.db2.gz WHHOOLYAWBWBSN-QGZVFWFLSA-N 1 3 336.455 1.012 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCSC1 ZINC000353944230 445821931 /nfs/dbraw/zinc/82/19/31/445821931.db2.gz QUASFJNKOKVEBV-MYSGWJLTSA-N 1 3 340.537 1.690 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCSC1 ZINC000353944230 445821935 /nfs/dbraw/zinc/82/19/35/445821935.db2.gz QUASFJNKOKVEBV-MYSGWJLTSA-N 1 3 340.537 1.690 20 0 EDADHO CC1(C)CC(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390711 445785001 /nfs/dbraw/zinc/78/50/01/445785001.db2.gz VNOMFKFEBSVVEK-GJZGRUSLSA-N 1 3 338.496 1.458 20 0 EDADHO C[C@@H]1C[C@@H](NCCNc2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000358828178 445796346 /nfs/dbraw/zinc/79/63/46/445796346.db2.gz SGYWYEZTUNKGNY-AEFFLSMTSA-N 1 3 325.460 2.531 20 0 EDADHO C[C@@H]1C[C@@H](NCCNc2cnccn2)CC[N@H+]1Cc1ccccc1 ZINC000358828178 445796350 /nfs/dbraw/zinc/79/63/50/445796350.db2.gz SGYWYEZTUNKGNY-AEFFLSMTSA-N 1 3 325.460 2.531 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356453052 445797689 /nfs/dbraw/zinc/79/76/89/445797689.db2.gz NUPADBURPOSMEW-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000356453052 445797695 /nfs/dbraw/zinc/79/76/95/445797695.db2.gz NUPADBURPOSMEW-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO [NH2+]=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000363432169 445800926 /nfs/dbraw/zinc/80/09/26/445800926.db2.gz FYKURMZFNQXDGA-GOEBONIOSA-N 1 3 332.448 1.471 20 0 EDADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000356707492 445954983 /nfs/dbraw/zinc/95/49/83/445954983.db2.gz YGWHLLOAMZHFPH-OAHLLOKOSA-N 1 3 333.476 1.473 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057238 445998566 /nfs/dbraw/zinc/99/85/66/445998566.db2.gz JXWAMCVYNHQQRO-HYVNUMGLSA-N 1 3 346.475 1.091 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CCC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000373057238 445998571 /nfs/dbraw/zinc/99/85/71/445998571.db2.gz JXWAMCVYNHQQRO-HYVNUMGLSA-N 1 3 346.475 1.091 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCCC[C@H]2Cn2ccnn2)CC1 ZINC000369184825 445977087 /nfs/dbraw/zinc/97/70/87/445977087.db2.gz SCNCFSGVVKYFJD-SFHVURJKSA-N 1 3 334.512 1.549 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCCC[C@H]2Cn2ccnn2)CC1 ZINC000369184825 445977095 /nfs/dbraw/zinc/97/70/95/445977095.db2.gz SCNCFSGVVKYFJD-SFHVURJKSA-N 1 3 334.512 1.549 20 0 EDADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000373083472 446016536 /nfs/dbraw/zinc/01/65/36/446016536.db2.gz HRQXZCDRGAGVOV-ROUUACIJSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000373083472 446016540 /nfs/dbraw/zinc/01/65/40/446016540.db2.gz HRQXZCDRGAGVOV-ROUUACIJSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000361886952 446040098 /nfs/dbraw/zinc/04/00/98/446040098.db2.gz BFAAHZUAOCAQAC-IZBJGVDFSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266791 446113513 /nfs/dbraw/zinc/11/35/13/446113513.db2.gz LSXYNBYNEXFVFN-LTIDMASMSA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266791 446113519 /nfs/dbraw/zinc/11/35/19/446113519.db2.gz LSXYNBYNEXFVFN-LTIDMASMSA-N 1 3 336.476 1.951 20 0 EDADHO C[C@@H]([NH2+]CCNc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000361980570 446124827 /nfs/dbraw/zinc/12/48/27/446124827.db2.gz LCDUQPBYQNKMMG-OAHLLOKOSA-N 1 3 329.448 2.180 20 0 EDADHO CC(C)[C@H](N)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366319944 446147662 /nfs/dbraw/zinc/14/76/62/446147662.db2.gz CXUBPMIXPKIULU-SFHVURJKSA-N 1 3 338.540 1.624 20 0 EDADHO CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCCN3)CC2)CC1 ZINC000366328444 446156010 /nfs/dbraw/zinc/15/60/10/446156010.db2.gz VHANNNSGZCOJQC-SFHVURJKSA-N 1 3 336.524 1.441 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)[C@H]1C ZINC000373395216 446198253 /nfs/dbraw/zinc/19/82/53/446198253.db2.gz PYYGLXADNMVYAZ-CUSZFKRNSA-N 1 3 337.508 1.722 20 0 EDADHO CSC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C[C@H](O)CSC)CC1 ZINC000373600597 446277668 /nfs/dbraw/zinc/27/76/68/446277668.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 1 3 336.567 1.221 20 0 EDADHO CSC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C[C@H](O)CSC)CC1 ZINC000373600597 446277671 /nfs/dbraw/zinc/27/76/71/446277671.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 1 3 336.567 1.221 20 0 EDADHO C[C@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000365661347 446291428 /nfs/dbraw/zinc/29/14/28/446291428.db2.gz QNYHVOCWJCQGPD-GOEBONIOSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000365661347 446291432 /nfs/dbraw/zinc/29/14/32/446291432.db2.gz QNYHVOCWJCQGPD-GOEBONIOSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302487 /nfs/dbraw/zinc/30/24/87/446302487.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302492 /nfs/dbraw/zinc/30/24/92/446302492.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCCC4(CC[NH+](C)CC4)C3)sc2n1 ZINC000374074572 446351054 /nfs/dbraw/zinc/35/10/54/446351054.db2.gz LTQAXWSVGAUCTD-UHFFFAOYSA-N 1 3 347.488 1.767 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417500519 446356097 /nfs/dbraw/zinc/35/60/97/446356097.db2.gz GKNCKUWFSJCYMT-RYQLBKOJSA-N 1 3 348.491 1.827 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417549577 446365339 /nfs/dbraw/zinc/36/53/39/446365339.db2.gz TZHREFHUPHTGDR-HUUCEWRRSA-N 1 3 340.512 1.645 20 0 EDADHO N[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000417910972 446383833 /nfs/dbraw/zinc/38/38/33/446383833.db2.gz LZGPTEOKLMIIPF-KZNAEPCWSA-N 1 3 346.475 1.363 20 0 EDADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099209 446440745 /nfs/dbraw/zinc/44/07/45/446440745.db2.gz BSQZJFIBNXZLQW-UYAOXDASSA-N 1 3 342.487 1.904 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000418108792 446440991 /nfs/dbraw/zinc/44/09/91/446440991.db2.gz SCLBORHQICUIMX-PKSQDBQZSA-N 1 3 336.402 1.828 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCCNCC1)C1CC1 ZINC000418133935 446442619 /nfs/dbraw/zinc/44/26/19/446442619.db2.gz GSGIMMXMXIMBSV-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCCNCC1)C1CC1 ZINC000418133935 446442626 /nfs/dbraw/zinc/44/26/26/446442626.db2.gz GSGIMMXMXIMBSV-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420271721 446442661 /nfs/dbraw/zinc/44/26/61/446442661.db2.gz KLUBYJBBSWYZDW-ZIAGYGMSSA-N 1 3 347.511 1.762 20 0 EDADHO CC[NH+](CC)CCSCC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000370787712 446443124 /nfs/dbraw/zinc/44/31/24/446443124.db2.gz NWLBSJIUQGZBCZ-MRXNPFEDSA-N 1 3 343.537 1.431 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CC1 ZINC000418019101 446417629 /nfs/dbraw/zinc/41/76/29/446417629.db2.gz WMAPZSCPJXJDJI-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO CCOC(=O)CCN1CCC2(CC[N@H+](CCC(=O)OCC)C2)CC1 ZINC000376363509 446455002 /nfs/dbraw/zinc/45/50/02/446455002.db2.gz AMFKQZDLXKOPEN-UHFFFAOYSA-N 1 3 340.464 1.681 20 0 EDADHO CCOC(=O)CCN1CCC2(CC[N@@H+](CCC(=O)OCC)C2)CC1 ZINC000376363509 446455009 /nfs/dbraw/zinc/45/50/09/446455009.db2.gz AMFKQZDLXKOPEN-UHFFFAOYSA-N 1 3 340.464 1.681 20 0 EDADHO CSC1(CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CCN(C)CC1 ZINC000418199381 446455631 /nfs/dbraw/zinc/45/56/31/446455631.db2.gz NTRBDEOKANWZNT-ZIAGYGMSSA-N 1 3 328.526 1.583 20 0 EDADHO CSc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418228690 446464632 /nfs/dbraw/zinc/46/46/32/446464632.db2.gz FLLRYVLMMZHXCB-UXLLHSPISA-N 1 3 348.516 1.872 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000420309257 446471798 /nfs/dbraw/zinc/47/17/98/446471798.db2.gz DTYCMXSXZXWQBI-NVXWUHKLSA-N 1 3 329.448 1.741 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000420309257 446471807 /nfs/dbraw/zinc/47/18/07/446471807.db2.gz DTYCMXSXZXWQBI-NVXWUHKLSA-N 1 3 329.448 1.741 20 0 EDADHO Cc1cccc2nc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000420315407 446480624 /nfs/dbraw/zinc/48/06/24/446480624.db2.gz MCDUCZAAEMPLMY-INIZCTEOSA-N 1 3 326.444 1.824 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309474 446483109 /nfs/dbraw/zinc/48/31/09/446483109.db2.gz LKWGSAGGMJGJJC-QZTJIDSGSA-N 1 3 341.459 1.840 20 0 EDADHO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000420328737 446496582 /nfs/dbraw/zinc/49/65/82/446496582.db2.gz FNKVHUAGXGEVKO-OAHLLOKOSA-N 1 3 337.464 1.006 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@@H]21 ZINC000418330033 446502522 /nfs/dbraw/zinc/50/25/22/446502522.db2.gz PGXAXLCDJMZHOR-MSOLQXFVSA-N 1 3 345.491 1.687 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCNCc3cccnc3)CC[C@@H]21 ZINC000418330033 446502532 /nfs/dbraw/zinc/50/25/32/446502532.db2.gz PGXAXLCDJMZHOR-MSOLQXFVSA-N 1 3 345.491 1.687 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CNCC[C@H]1c1ccc(F)c(F)c1 ZINC000423365498 446503306 /nfs/dbraw/zinc/50/33/06/446503306.db2.gz KFHYNADRTHBTTF-TXPWEPMLSA-N 1 3 339.430 1.767 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365498 446503312 /nfs/dbraw/zinc/50/33/12/446503312.db2.gz KFHYNADRTHBTTF-TXPWEPMLSA-N 1 3 339.430 1.767 20 0 EDADHO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)NC1CCN(C2CC2)CC1 ZINC000420336638 446505818 /nfs/dbraw/zinc/50/58/18/446505818.db2.gz MMOZNVUHOVHTDY-SFHVURJKSA-N 1 3 334.508 1.193 20 0 EDADHO C[NH2+]CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418338046 446507921 /nfs/dbraw/zinc/50/79/21/446507921.db2.gz YUOFNBCTVGGWRS-GASCZTMLSA-N 1 3 326.485 1.127 20 0 EDADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339911 446512390 /nfs/dbraw/zinc/51/23/90/446512390.db2.gz ZIORPQLBISIWDW-MGPQQGTHSA-N 1 3 333.398 1.861 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1cccs1 ZINC000420329685 446499717 /nfs/dbraw/zinc/49/97/17/446499717.db2.gz HCZOYPNVAYUNGA-BETUJISGSA-N 1 3 336.461 1.005 20 0 EDADHO C[C@@H](CN1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209508 446522082 /nfs/dbraw/zinc/52/20/82/446522082.db2.gz RDRFWIOQCPFAQI-LSDHHAIUSA-N 1 3 328.522 1.863 20 0 EDADHO C[C@@H](CN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209508 446522086 /nfs/dbraw/zinc/52/20/86/446522086.db2.gz RDRFWIOQCPFAQI-LSDHHAIUSA-N 1 3 328.522 1.863 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000423419724 446527222 /nfs/dbraw/zinc/52/72/22/446527222.db2.gz AMZFCSAAWCQTHQ-RDJZCZTQSA-N 1 3 325.497 1.724 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418403934 446532986 /nfs/dbraw/zinc/53/29/86/446532986.db2.gz IUBVGOJXDVVWGN-YQVWRLOYSA-N 1 3 346.475 1.050 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000418428621 446540508 /nfs/dbraw/zinc/54/05/08/446540508.db2.gz QKWXQSQZAXWUCQ-HZPDHXFCSA-N 1 3 339.528 1.170 20 0 EDADHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C2CCN(C)CC2)cc1 ZINC000375054422 446547772 /nfs/dbraw/zinc/54/77/72/446547772.db2.gz NLTMURCGPHJXOR-MSOLQXFVSA-N 1 3 331.460 1.599 20 0 EDADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000420380604 446556084 /nfs/dbraw/zinc/55/60/84/446556084.db2.gz YIPODXOHNXQHGK-IOASZLSFSA-N 1 3 326.462 1.445 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418613380 446615657 /nfs/dbraw/zinc/61/56/57/446615657.db2.gz JSFNWJHMPPBAAU-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451193 446574476 /nfs/dbraw/zinc/57/44/76/446574476.db2.gz BIUFZSMEDCUBOA-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418529280 446582238 /nfs/dbraw/zinc/58/22/38/446582238.db2.gz SZKOMIGUQIYCJT-AZUAARDMSA-N 1 3 342.487 1.904 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418541398 446586206 /nfs/dbraw/zinc/58/62/06/446586206.db2.gz QIHTYCWRMBMYKQ-WDYCEAGBSA-N 1 3 346.475 1.063 20 0 EDADHO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000418549010 446589735 /nfs/dbraw/zinc/58/97/35/446589735.db2.gz DGBULQKMFMQHHH-FUHWJXTLSA-N 1 3 328.460 1.916 20 0 EDADHO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c(c3)CNC4)CC[C@H]21 ZINC000418549010 446589740 /nfs/dbraw/zinc/58/97/40/446589740.db2.gz DGBULQKMFMQHHH-FUHWJXTLSA-N 1 3 328.460 1.916 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)C2)CC1 ZINC000367910905 446607890 /nfs/dbraw/zinc/60/78/90/446607890.db2.gz LZHZHIFTJLQFHI-IPYPFGDCSA-N 1 3 335.414 1.854 20 0 EDADHO COC(=O)c1cn(CC[NH2+]C2CCN(CC3CCCCC3)CC2)nn1 ZINC000375291567 446696861 /nfs/dbraw/zinc/69/68/61/446696861.db2.gz HCFQLJSEBNBNIN-UHFFFAOYSA-N 1 3 349.479 1.699 20 0 EDADHO Cc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420633011 446713188 /nfs/dbraw/zinc/71/31/88/446713188.db2.gz IOOYMYSRDLVKJB-HOTGVXAUSA-N 1 3 347.511 1.241 20 0 EDADHO Cc1nc(N(C)C[C@@H]2CCCN2C)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000420633011 446713196 /nfs/dbraw/zinc/71/31/96/446713196.db2.gz IOOYMYSRDLVKJB-HOTGVXAUSA-N 1 3 347.511 1.241 20 0 EDADHO CCCC[C@H](N)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424018492 446824871 /nfs/dbraw/zinc/82/48/71/446824871.db2.gz JFHOPHYQQCXBCD-KRWDZBQOSA-N 1 3 332.492 1.614 20 0 EDADHO CCC(CC)(CNC(=O)C(=O)NCCN)[NH2+][C@H](C)c1ccccc1 ZINC000418962634 446829964 /nfs/dbraw/zinc/82/99/64/446829964.db2.gz KZOBRMRMTBOSHZ-CQSZACIVSA-N 1 3 334.464 1.087 20 0 EDADHO CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375443312 446803055 /nfs/dbraw/zinc/80/30/55/446803055.db2.gz CHVCCMVXKSLBJA-IAGOWNOFSA-N 1 3 339.505 1.598 20 0 EDADHO CSC1(CNC(=O)N(C)C[C@@H]2CCCN2C)CC[NH+](C)CC1 ZINC000420853678 446857044 /nfs/dbraw/zinc/85/70/44/446857044.db2.gz YJBJFPFXCFWHTN-AWEZNQCLSA-N 1 3 328.526 1.549 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419100468 446923996 /nfs/dbraw/zinc/92/39/96/446923996.db2.gz BUXUKROWORKHMY-DJIMGWMZSA-N 1 3 346.475 1.009 20 0 EDADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443062252 447002115 /nfs/dbraw/zinc/00/21/15/447002115.db2.gz UBZBMDVNYOIAMH-MRXNPFEDSA-N 1 3 333.476 1.900 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000372103331 447003533 /nfs/dbraw/zinc/00/35/33/447003533.db2.gz SZOZJIUDZNLJBW-LJQANCHMSA-N 1 3 348.466 1.142 20 0 EDADHO CN(C[C@@](C)(O)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829848 447085557 /nfs/dbraw/zinc/08/55/57/447085557.db2.gz HTOBPVZIYBVDOP-VQTJNVASSA-N 1 3 331.504 1.994 20 0 EDADHO CN(C[C@@](C)(O)c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829848 447085563 /nfs/dbraw/zinc/08/55/63/447085563.db2.gz HTOBPVZIYBVDOP-VQTJNVASSA-N 1 3 331.504 1.994 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397059 447142250 /nfs/dbraw/zinc/14/22/50/447142250.db2.gz QUIKULUSAODWJQ-GOEBONIOSA-N 1 3 325.497 1.410 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375897806 447131261 /nfs/dbraw/zinc/13/12/61/447131261.db2.gz LSSWVGXANAOZBS-KSZLIROESA-N 1 3 331.460 1.887 20 0 EDADHO COc1cccc(C(=O)NCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375897806 447131267 /nfs/dbraw/zinc/13/12/67/447131267.db2.gz LSSWVGXANAOZBS-KSZLIROESA-N 1 3 331.460 1.887 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000372750857 447267101 /nfs/dbraw/zinc/26/71/01/447267101.db2.gz LEUOYAQKTBUFFE-SFHVURJKSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000369027087 447272469 /nfs/dbraw/zinc/27/24/69/447272469.db2.gz LAMKVBGMWYUAJH-HZPDHXFCSA-N 1 3 326.485 1.268 20 0 EDADHO [NH3+]CCc1nc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cs1 ZINC000379851460 447456085 /nfs/dbraw/zinc/45/60/85/447456085.db2.gz GZCSWBMDMQDFSZ-OAHLLOKOSA-N 1 3 344.484 1.896 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1CN(C)C ZINC000415530125 447498855 /nfs/dbraw/zinc/49/88/55/447498855.db2.gz UCEPNLMZWOIRMU-ZIAGYGMSSA-N 1 3 332.448 1.191 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000390896002 447505245 /nfs/dbraw/zinc/50/52/45/447505245.db2.gz KFSDPUFGPAKSTN-ZWKOTPCHSA-N 1 3 331.460 1.393 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](CN)C1CCCCC1 ZINC000419968823 447521396 /nfs/dbraw/zinc/52/13/96/447521396.db2.gz QTSXSTNBGLETSY-MRXNPFEDSA-N 1 3 340.512 1.201 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420027752 447553563 /nfs/dbraw/zinc/55/35/63/447553563.db2.gz LEURMDZVIZAPNI-ZOBUZTSGSA-N 1 3 346.475 1.134 20 0 EDADHO C[C@H]1CCCN(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000404271037 447597409 /nfs/dbraw/zinc/59/74/09/447597409.db2.gz KTGNDGPFCGLZPR-XJKSGUPXSA-N 1 3 341.477 1.162 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420112476 447608984 /nfs/dbraw/zinc/60/89/84/447608984.db2.gz DIIFUFJNSYVVIT-YOEHRIQHSA-N 1 3 346.475 1.264 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695042 447621710 /nfs/dbraw/zinc/62/17/10/447621710.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695042 447621717 /nfs/dbraw/zinc/62/17/17/447621717.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 1 3 340.512 1.253 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000416838388 447694352 /nfs/dbraw/zinc/69/43/52/447694352.db2.gz JBZSMFIJJNYHMK-ZWKOTPCHSA-N 1 3 348.491 1.529 20 0 EDADHO COCC1(CNC(=O)NCC(C)(C)N2CCCCC2)CC[NH2+]CC1 ZINC000416836815 447694628 /nfs/dbraw/zinc/69/46/28/447694628.db2.gz WADICAHQOROZDI-UHFFFAOYSA-N 1 3 340.512 1.566 20 0 EDADHO CO[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)[C@H](C[NH3+])C1 ZINC000416853052 447696380 /nfs/dbraw/zinc/69/63/80/447696380.db2.gz TWRPNOVMVHIZAM-OKZBNKHCSA-N 1 3 348.491 1.307 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000416851947 447696938 /nfs/dbraw/zinc/69/69/38/447696938.db2.gz LXJRGLPBQSHAMP-PBHICJAKSA-N 1 3 334.464 1.739 20 0 EDADHO CON1CCC(N(C)CCC[N@H+](C)C2CCN(OC)CC2)CC1 ZINC000459575046 447710443 /nfs/dbraw/zinc/71/04/43/447710443.db2.gz CQCDCQWLWMVDCS-UHFFFAOYSA-N 1 3 328.501 1.292 20 0 EDADHO CON1CCC(N(C)CCC[N@@H+](C)C2CCN(OC)CC2)CC1 ZINC000459575046 447710448 /nfs/dbraw/zinc/71/04/48/447710448.db2.gz CQCDCQWLWMVDCS-UHFFFAOYSA-N 1 3 328.501 1.292 20 0 EDADHO C[C@@H](NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422718692 447728064 /nfs/dbraw/zinc/72/80/64/447728064.db2.gz XISOHPBGDVWDHL-GDBMZVCRSA-N 1 3 331.460 1.474 20 0 EDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404342 447767842 /nfs/dbraw/zinc/76/78/42/447767842.db2.gz UQKYTNLMJNADIL-CPUCHLNUSA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404342 447767845 /nfs/dbraw/zinc/76/78/45/447767845.db2.gz UQKYTNLMJNADIL-CPUCHLNUSA-N 1 3 329.485 1.725 20 0 EDADHO C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1CNC1 ZINC000422884498 447770762 /nfs/dbraw/zinc/77/07/62/447770762.db2.gz XDTULMPOTXEDSV-NSHDSACASA-N 1 3 340.265 1.767 20 0 EDADHO C[C@H](NCCCNC(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884498 447770765 /nfs/dbraw/zinc/77/07/65/447770765.db2.gz XDTULMPOTXEDSV-NSHDSACASA-N 1 3 340.265 1.767 20 0 EDADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccn1 ZINC000423023910 447793192 /nfs/dbraw/zinc/79/31/92/447793192.db2.gz KSURIBLKFPKTOR-KZNAEPCWSA-N 1 3 348.491 1.269 20 0 EDADHO C[C@@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[N@H+](C)Cc1ccccc1 ZINC000569676592 447863396 /nfs/dbraw/zinc/86/33/96/447863396.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 1 3 347.507 1.181 20 0 EDADHO C[C@@H](CCNC(=O)N1CCN(C)C[C@H]1CN)[N@@H+](C)Cc1ccccc1 ZINC000569676592 447863402 /nfs/dbraw/zinc/86/34/02/447863402.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 1 3 347.507 1.181 20 0 EDADHO CC(C)N1CCC(O)(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496621468 447834854 /nfs/dbraw/zinc/83/48/54/447834854.db2.gz GLFGFLQILIZFAE-UHFFFAOYSA-N 1 3 341.496 1.867 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000487685527 447835825 /nfs/dbraw/zinc/83/58/25/447835825.db2.gz IIXYMRAETPHRIS-QAPCUYQASA-N 1 3 333.476 1.783 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000487685527 447835826 /nfs/dbraw/zinc/83/58/26/447835826.db2.gz IIXYMRAETPHRIS-QAPCUYQASA-N 1 3 333.476 1.783 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911610 /nfs/dbraw/zinc/91/16/10/447911610.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 1 3 331.460 1.345 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911614 /nfs/dbraw/zinc/91/16/14/447911614.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 1 3 331.460 1.345 20 0 EDADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815011 447964336 /nfs/dbraw/zinc/96/43/36/447964336.db2.gz GMZPEGXIUYAWNO-UYAOXDASSA-N 1 3 343.471 1.320 20 0 EDADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530815011 447964339 /nfs/dbraw/zinc/96/43/39/447964339.db2.gz GMZPEGXIUYAWNO-UYAOXDASSA-N 1 3 343.471 1.320 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530587718 447922383 /nfs/dbraw/zinc/92/23/83/447922383.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 1 3 345.487 1.424 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530587718 447922390 /nfs/dbraw/zinc/92/23/90/447922390.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 1 3 345.487 1.424 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569989418 447931613 /nfs/dbraw/zinc/93/16/13/447931613.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 1 3 344.503 1.388 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569989418 447931616 /nfs/dbraw/zinc/93/16/16/447931616.db2.gz YTVAKLJFDVEEMD-MSOLQXFVSA-N 1 3 344.503 1.388 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCOC1CCCCC1 ZINC000525417855 447999343 /nfs/dbraw/zinc/99/93/43/447999343.db2.gz BTOWYWPEAAFJGW-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000576211663 447999568 /nfs/dbraw/zinc/99/95/68/447999568.db2.gz UGEONEBNXUUMEB-NJAFHUGGSA-N 1 3 345.491 1.025 20 0 EDADHO C[C@@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289633 448044008 /nfs/dbraw/zinc/04/40/08/448044008.db2.gz OPQSLABNMYYWBH-MAUKXSAKSA-N 1 3 343.512 1.974 20 0 EDADHO C[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CN1CCCCC1 ZINC000497289633 448044013 /nfs/dbraw/zinc/04/40/13/448044013.db2.gz OPQSLABNMYYWBH-MAUKXSAKSA-N 1 3 343.512 1.974 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000576451153 448058177 /nfs/dbraw/zinc/05/81/77/448058177.db2.gz OJZULJWCDSIVGZ-MXSMSXNCSA-N 1 3 330.476 1.804 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576457275 448059565 /nfs/dbraw/zinc/05/95/65/448059565.db2.gz CRQHKDHOBKTMPN-ZACQAIPSSA-N 1 3 327.513 1.311 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000570836381 448073171 /nfs/dbraw/zinc/07/31/71/448073171.db2.gz GUOXWIYQLIUBAI-CRAIPNDOSA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836381 448073175 /nfs/dbraw/zinc/07/31/75/448073175.db2.gz GUOXWIYQLIUBAI-CRAIPNDOSA-N 1 3 347.459 1.459 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000570836381 448073178 /nfs/dbraw/zinc/07/31/78/448073178.db2.gz GUOXWIYQLIUBAI-CRAIPNDOSA-N 1 3 347.459 1.459 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000512441898 448158200 /nfs/dbraw/zinc/15/82/00/448158200.db2.gz SPJMXHYSOMXFEI-XIRDDKMYSA-N 1 3 333.480 1.666 20 0 EDADHO C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1 ZINC000514860933 448216104 /nfs/dbraw/zinc/21/61/04/448216104.db2.gz QKXBPYVWEZISHV-CQSZACIVSA-N 1 3 346.475 1.379 20 0 EDADHO C[C@@H](CN1CCOCC1)N(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851343 448358949 /nfs/dbraw/zinc/35/89/49/448358949.db2.gz DPEOKMOAALULSY-IBGZPJMESA-N 1 3 346.519 1.115 20 0 EDADHO CN1CC[C@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380274 /nfs/dbraw/zinc/38/02/74/448380274.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380277 /nfs/dbraw/zinc/38/02/77/448380277.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 1 3 343.515 1.868 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H](O)CN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380283 /nfs/dbraw/zinc/38/02/83/448380283.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 1 3 343.515 1.868 20 0 EDADHO O=C(NC[C@@H]1CCCN(Cc2cccc3c2NCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000566230583 448422111 /nfs/dbraw/zinc/42/21/11/448422111.db2.gz CFISGVOHXGZCNZ-YJBOKZPZSA-N 1 3 342.487 1.735 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957012 448504815 /nfs/dbraw/zinc/50/48/15/448504815.db2.gz WGTKTNDDCBSHRI-QFBILLFUSA-N 1 3 346.519 1.670 20 0 EDADHO Cc1csc([C@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000517330447 448572091 /nfs/dbraw/zinc/57/20/91/448572091.db2.gz AOEHCYUDLXUCTB-CABCVRRESA-N 1 3 336.505 1.828 20 0 EDADHO Cc1csc([C@H]2CCC[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000517330447 448572099 /nfs/dbraw/zinc/57/20/99/448572099.db2.gz AOEHCYUDLXUCTB-CABCVRRESA-N 1 3 336.505 1.828 20 0 EDADHO COc1ccccc1CCNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573083204 448538217 /nfs/dbraw/zinc/53/82/17/448538217.db2.gz PMDVJRAZNFQUHH-MRXNPFEDSA-N 1 3 345.487 1.818 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720845 448687154 /nfs/dbraw/zinc/68/71/54/448687154.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000541720845 448687158 /nfs/dbraw/zinc/68/71/58/448687158.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 1 3 345.487 1.472 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000567494278 448703497 /nfs/dbraw/zinc/70/34/97/448703497.db2.gz XHKSIVZYERYMDJ-HKUYNNGSSA-N 1 3 348.487 1.825 20 0 EDADHO C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000573805631 448718125 /nfs/dbraw/zinc/71/81/25/448718125.db2.gz HHRRVPTXWBPWEY-OAHLLOKOSA-N 1 3 330.476 1.687 20 0 EDADHO CN(C)CCn1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000573979157 448761612 /nfs/dbraw/zinc/76/16/12/448761612.db2.gz IJCRRQZTNWXDFY-UHFFFAOYSA-N 1 3 345.447 1.637 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000579149761 448728516 /nfs/dbraw/zinc/72/85/16/448728516.db2.gz KROYFCWYVYYLKY-NVXWUHKLSA-N 1 3 325.497 1.602 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CN2CCC1CC2 ZINC000520372330 448889178 /nfs/dbraw/zinc/88/91/78/448889178.db2.gz KKFNPKFWUOMVBR-RTBURBONSA-N 1 3 342.487 1.846 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@@H]1CN2CCC1CC2 ZINC000520372330 448889182 /nfs/dbraw/zinc/88/91/82/448889182.db2.gz KKFNPKFWUOMVBR-RTBURBONSA-N 1 3 342.487 1.846 20 0 EDADHO Fc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000529539119 448893427 /nfs/dbraw/zinc/89/34/27/448893427.db2.gz SPWLWAULFANFRJ-UHFFFAOYSA-N 1 3 329.423 1.918 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(COC)CC1 ZINC000582183036 449032071 /nfs/dbraw/zinc/03/20/71/449032071.db2.gz YOZAVPWZMBZHNJ-INIZCTEOSA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC1(COC)CC1 ZINC000582183036 449032075 /nfs/dbraw/zinc/03/20/75/449032075.db2.gz YOZAVPWZMBZHNJ-INIZCTEOSA-N 1 3 325.497 1.678 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)N(C)CCO2 ZINC000617507169 449656390 /nfs/dbraw/zinc/65/63/90/449656390.db2.gz LDMHQDWEGWYGRV-HNNXBMFYSA-N 1 3 348.491 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(c1)N(C)CCO2 ZINC000617507169 449656393 /nfs/dbraw/zinc/65/63/93/449656393.db2.gz LDMHQDWEGWYGRV-HNNXBMFYSA-N 1 3 348.491 1.517 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2nsnc2c1 ZINC000617506534 449656975 /nfs/dbraw/zinc/65/69/75/449656975.db2.gz RNQRXPIHCUBQAW-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2nsnc2c1 ZINC000617506534 449656979 /nfs/dbraw/zinc/65/69/79/449656979.db2.gz RNQRXPIHCUBQAW-LBPRGKRZSA-N 1 3 335.477 1.693 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602542352 449663819 /nfs/dbraw/zinc/66/38/19/449663819.db2.gz VQRFQEZNSLHBTQ-CQSZACIVSA-N 1 3 336.480 1.473 20 0 EDADHO COc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1F ZINC000617503418 449645855 /nfs/dbraw/zinc/64/58/55/449645855.db2.gz IECZFPJDUATNDZ-AWEZNQCLSA-N 1 3 339.455 1.765 20 0 EDADHO COc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1F ZINC000617503418 449645857 /nfs/dbraw/zinc/64/58/57/449645857.db2.gz IECZFPJDUATNDZ-AWEZNQCLSA-N 1 3 339.455 1.765 20 0 EDADHO CCOC(=O)[C@@]1(CNC2CC[NH+](CC(C)(C)O)CC2)CCCOC1 ZINC000602743294 449779247 /nfs/dbraw/zinc/77/92/47/449779247.db2.gz DRTQQTRUBDXRJG-GOSISDBHSA-N 1 3 342.480 1.171 20 0 EDADHO N[C@H]1CCCCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324066 449831890 /nfs/dbraw/zinc/83/18/90/449831890.db2.gz GVXXIUKQZOJSIC-INIZCTEOSA-N 1 3 332.448 1.606 20 0 EDADHO N[C@H]1CCCCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000601324066 449831892 /nfs/dbraw/zinc/83/18/92/449831892.db2.gz GVXXIUKQZOJSIC-INIZCTEOSA-N 1 3 332.448 1.606 20 0 EDADHO O=C(NC1CCN(CCO)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000601330756 449839549 /nfs/dbraw/zinc/83/95/49/449839549.db2.gz ZWNMUXGTZJARML-UHFFFAOYSA-N 1 3 338.496 1.103 20 0 EDADHO COC(=O)c1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000597187607 449862609 /nfs/dbraw/zinc/86/26/09/449862609.db2.gz RNXGNBVOJKUOIU-QGZVFWFLSA-N 1 3 343.427 1.658 20 0 EDADHO COC(=O)c1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000597187607 449862617 /nfs/dbraw/zinc/86/26/17/449862617.db2.gz RNXGNBVOJKUOIU-QGZVFWFLSA-N 1 3 343.427 1.658 20 0 EDADHO C[C@]1(NC(=O)NCC2(N3CCSCC3)CCCCC2)CC[NH2+]C1 ZINC000612879849 449923464 /nfs/dbraw/zinc/92/34/64/449923464.db2.gz DXESLOCWTRZPPS-INIZCTEOSA-N 1 3 340.537 1.789 20 0 EDADHO C[C@]1(NC(=O)NCc2ccc(OCCN3CCCC3)cc2)CC[NH2+]C1 ZINC000612879965 449923918 /nfs/dbraw/zinc/92/39/18/449923918.db2.gz HIOLFCIAESXNPO-IBGZPJMESA-N 1 3 346.475 1.712 20 0 EDADHO Cc1ccc(CO[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000625286686 450274685 /nfs/dbraw/zinc/27/46/85/450274685.db2.gz KBDIHJRVKOFXGZ-KRWDZBQOSA-N 1 3 335.492 1.852 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555758 450241474 /nfs/dbraw/zinc/24/14/74/450241474.db2.gz FURDSFKEYFRPNA-OAHLLOKOSA-N 1 3 340.537 1.741 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314514 /nfs/dbraw/zinc/31/45/14/450314514.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 1 3 331.460 1.169 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314525 /nfs/dbraw/zinc/31/45/25/450314525.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 1 3 331.460 1.169 20 0 EDADHO CCC[NH+]1CCC(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000603815493 450354256 /nfs/dbraw/zinc/35/42/56/450354256.db2.gz YGJFDDWDGRXJAB-FQEVSTJZSA-N 1 3 345.487 1.614 20 0 EDADHO CC1(C)CCC[C@](CO)([NH2+]CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000625835967 450518507 /nfs/dbraw/zinc/51/85/07/450518507.db2.gz OTYIIYYIWAIJJB-IBGZPJMESA-N 1 3 337.508 1.650 20 0 EDADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000625854966 450522157 /nfs/dbraw/zinc/52/21/57/450522157.db2.gz UKHJIWLKDAIFGS-MRXNPFEDSA-N 1 3 334.489 1.761 20 0 EDADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C)[C@H]1C ZINC000620747005 450538154 /nfs/dbraw/zinc/53/81/54/450538154.db2.gz KFBBTOCRNMNBPU-HZPDHXFCSA-N 1 3 340.512 1.118 20 0 EDADHO CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)N1 ZINC000620904501 450557899 /nfs/dbraw/zinc/55/78/99/450557899.db2.gz OPNXLVHOOSRCDI-RYQLBKOJSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C[C@H](C)N1 ZINC000620904501 450557901 /nfs/dbraw/zinc/55/79/01/450557901.db2.gz OPNXLVHOOSRCDI-RYQLBKOJSA-N 1 3 330.476 1.893 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633011870 450608971 /nfs/dbraw/zinc/60/89/71/450608971.db2.gz DOBWDIXWYFWBJE-MRXNPFEDSA-N 1 3 346.475 1.459 20 0 EDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@H]21 ZINC000624116969 450712641 /nfs/dbraw/zinc/71/26/41/450712641.db2.gz CNWKGAIERSXXSP-LVQVYYBASA-N 1 3 341.463 1.165 20 0 EDADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@H]21 ZINC000624116969 450712648 /nfs/dbraw/zinc/71/26/48/450712648.db2.gz CNWKGAIERSXXSP-LVQVYYBASA-N 1 3 341.463 1.165 20 0 EDADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)NCC1([NH3+])CCOCC1 ZINC000629522107 450724631 /nfs/dbraw/zinc/72/46/31/450724631.db2.gz XSWNMPXUKWWJIJ-CYBMUJFWSA-N 1 3 331.416 1.159 20 0 EDADHO COC[C@@H](CCC[NH3+])NCc1cc(Br)cnc1OC ZINC000629524642 450724972 /nfs/dbraw/zinc/72/49/72/450724972.db2.gz RVVDLTVKJMKTPA-GFCCVEGCSA-N 1 3 332.242 1.696 20 0 EDADHO COc1cccc(N2CC[C@@H](CNC[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629558346 450734499 /nfs/dbraw/zinc/73/44/99/450734499.db2.gz GDGHOVXDFLGMRD-FUHWJXTLSA-N 1 3 333.476 1.568 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000621505373 450749450 /nfs/dbraw/zinc/74/94/50/450749450.db2.gz YZMGQFACBIZZMO-LJQANCHMSA-N 1 3 346.519 1.814 20 0 EDADHO FC(F)C(F)(F)COCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591832 450753278 /nfs/dbraw/zinc/75/32/78/450753278.db2.gz PFDQVVUVUSDQNZ-ZDUSSCGKSA-N 1 3 342.377 1.994 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940371 450897352 /nfs/dbraw/zinc/89/73/52/450897352.db2.gz UVCRBWFZXKUWSV-DLBZAZTESA-N 1 3 343.537 1.514 20 0 EDADHO C[C@@H]1CC2(CN1S(=O)(=O)CCCN1CCCC1)CC[NH2+]CC2 ZINC000631946650 450904785 /nfs/dbraw/zinc/90/47/85/450904785.db2.gz GNKGYYMFQYFHRO-OAHLLOKOSA-N 1 3 329.510 1.266 20 0 EDADHO C[C@](O)(C[C@H](O)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979090 /nfs/dbraw/zinc/97/90/90/450979090.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 1 3 344.499 1.962 20 0 EDADHO C[C@](O)(C[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000630045204 450979094 /nfs/dbraw/zinc/97/90/94/450979094.db2.gz ZLLUSEJVUQPWKL-YHELAOLJSA-N 1 3 344.499 1.962 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000626953727 451031260 /nfs/dbraw/zinc/03/12/60/451031260.db2.gz CXPFKFKRIBALFR-SFHVURJKSA-N 1 3 348.491 1.658 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635664846 451150128 /nfs/dbraw/zinc/15/01/28/451150128.db2.gz DXNPSCVKXLAXIC-GOSISDBHSA-N 1 3 337.508 1.963 20 0 EDADHO CN(CC(=O)NCc1ccnc(OCC[NH+](C)C)c1)CC(C)(C)C ZINC000635747418 451215965 /nfs/dbraw/zinc/21/59/65/451215965.db2.gz TTZWHMAMBDCNNM-UHFFFAOYSA-N 1 3 336.480 1.616 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000638085596 451249845 /nfs/dbraw/zinc/24/98/45/451249845.db2.gz RTUHUGLZRFMRNV-MAUKXSAKSA-N 1 3 335.448 1.010 20 0 EDADHO C[C@H]1CN(CCOC2CCOCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000625276003 451253914 /nfs/dbraw/zinc/25/39/14/451253914.db2.gz JYQAWZJOUMFUIR-WMZOPIPTSA-N 1 3 325.497 1.140 20 0 EDADHO c1c(CCN2CC[NH2+]CC2)nnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000630592678 451267811 /nfs/dbraw/zinc/26/78/11/451267811.db2.gz VFZBHGOGFBNZJX-LJQANCHMSA-N 1 3 340.475 1.173 20 0 EDADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)CN2CCNCC2)c1 ZINC000638130927 451302333 /nfs/dbraw/zinc/30/23/33/451302333.db2.gz BOHOIRCLLFBJMG-UHFFFAOYSA-N 1 3 346.519 1.830 20 0 EDADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CN2CCNCC2)c1 ZINC000638130927 451302339 /nfs/dbraw/zinc/30/23/39/451302339.db2.gz BOHOIRCLLFBJMG-UHFFFAOYSA-N 1 3 346.519 1.830 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638133328 451305877 /nfs/dbraw/zinc/30/58/77/451305877.db2.gz KPKXMGPFMWDSFJ-MRXNPFEDSA-N 1 3 346.475 1.251 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CN3CCNCC3)cc2)C1 ZINC000638133328 451305880 /nfs/dbraw/zinc/30/58/80/451305880.db2.gz KPKXMGPFMWDSFJ-MRXNPFEDSA-N 1 3 346.475 1.251 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142489 451316109 /nfs/dbraw/zinc/31/61/09/451316109.db2.gz CHWNXTOEOIRNRK-CEXWTWQISA-N 1 3 344.503 1.436 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000638273401 451391631 /nfs/dbraw/zinc/39/16/31/451391631.db2.gz IXZMYYSIRAKMAH-AZUAARDMSA-N 1 3 348.487 1.784 20 0 EDADHO COc1cccc(C[C@@H](N)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000638277261 451396996 /nfs/dbraw/zinc/39/69/96/451396996.db2.gz SRWDMJQJQGOSQH-QZTJIDSGSA-N 1 3 349.475 1.134 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630807090 451412577 /nfs/dbraw/zinc/41/25/77/451412577.db2.gz DAGHSNLZNDILQB-IYBDPMFKSA-N 1 3 349.523 1.931 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630807090 451412583 /nfs/dbraw/zinc/41/25/83/451412583.db2.gz DAGHSNLZNDILQB-IYBDPMFKSA-N 1 3 349.523 1.931 20 0 EDADHO C[C@@H](CN1CCCC1=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634642278 451434892 /nfs/dbraw/zinc/43/48/92/451434892.db2.gz HMQFMQGBLXQKHK-LPHOPBHVSA-N 1 3 331.460 1.224 20 0 EDADHO C[C@@H](CN1CCCC1=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634642278 451434896 /nfs/dbraw/zinc/43/48/96/451434896.db2.gz HMQFMQGBLXQKHK-LPHOPBHVSA-N 1 3 331.460 1.224 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638328490 451436770 /nfs/dbraw/zinc/43/67/70/451436770.db2.gz JMBRZNVXWLXZPB-CEXWTWQISA-N 1 3 344.503 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350254 451451365 /nfs/dbraw/zinc/45/13/65/451451365.db2.gz FEDWESUFMHXIOM-QZTJIDSGSA-N 1 3 338.455 1.362 20 0 EDADHO C[C@@H]1CC[C@H](CN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688399 451465236 /nfs/dbraw/zinc/46/52/36/451465236.db2.gz RCJVUINFONMDBP-BZUAXINKSA-N 1 3 333.480 1.566 20 0 EDADHO OCc1ccc(C[NH2+]CCCN2CCN(c3ccncc3)CC2)cc1 ZINC000638462917 451528140 /nfs/dbraw/zinc/52/81/40/451528140.db2.gz PMZQDSXIWYUKOD-UHFFFAOYSA-N 1 3 340.471 1.876 20 0 EDADHO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000634768795 451536662 /nfs/dbraw/zinc/53/66/62/451536662.db2.gz YXKRIUTTXKSRAR-SCTDSRPQSA-N 1 3 328.460 1.552 20 0 EDADHO CN(C(=O)C[NH2+]C1CCN(CC(C)(C)O)CC1)C1CCCCC1 ZINC000638721841 451665419 /nfs/dbraw/zinc/66/54/19/451665419.db2.gz NYWZHDXNQXHEQH-UHFFFAOYSA-N 1 3 325.497 1.602 20 0 EDADHO FC(F)(F)c1ccn(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000635014322 451649153 /nfs/dbraw/zinc/64/91/53/451649153.db2.gz PRCUOARMKLTXOZ-RWMBFGLXSA-N 1 3 332.370 1.649 20 0 EDADHO FC(F)(F)c1ccn(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000635014323 451650349 /nfs/dbraw/zinc/65/03/49/451650349.db2.gz PRCUOARMKLTXOZ-YNEHKIRRSA-N 1 3 332.370 1.649 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000632978080 451675554 /nfs/dbraw/zinc/67/55/54/451675554.db2.gz BJFDFXUKLZJBPQ-ZIAGYGMSSA-N 1 3 348.413 1.795 20 0 EDADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCCC1(F)F ZINC000638803816 451695526 /nfs/dbraw/zinc/69/55/26/451695526.db2.gz PJRAHJFQXIPNOJ-HOTGVXAUSA-N 1 3 337.414 1.870 20 0 EDADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCCC1(F)F ZINC000638803816 451695530 /nfs/dbraw/zinc/69/55/30/451695530.db2.gz PJRAHJFQXIPNOJ-HOTGVXAUSA-N 1 3 337.414 1.870 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845456 451708771 /nfs/dbraw/zinc/70/87/71/451708771.db2.gz QEAAVDLVEGOULR-MBOZVWFJSA-N 1 3 343.471 1.481 20 0 EDADHO CO[C@](C)(C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CC1 ZINC000638872630 451715589 /nfs/dbraw/zinc/71/55/89/451715589.db2.gz JTSDKKDWYBXKLD-LJQANCHMSA-N 1 3 333.476 1.883 20 0 EDADHO CCO[C@@H]1C[C@@H](NCc2ccnc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000638902506 451726515 /nfs/dbraw/zinc/72/65/15/451726515.db2.gz OTPIXBIZEYKTEJ-ZHALLVOQSA-N 1 3 349.475 1.838 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000641041345 451739726 /nfs/dbraw/zinc/73/97/26/451739726.db2.gz BAIBTKWBOINNKE-DOTOQJQBSA-N 1 3 334.464 1.739 20 0 EDADHO COCC1(C2CC2)CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000637266389 451775118 /nfs/dbraw/zinc/77/51/18/451775118.db2.gz WJHIXFYEZJBXOB-HNNXBMFYSA-N 1 3 340.512 1.326 20 0 EDADHO COCC1(C2CC2)CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000637266389 451775120 /nfs/dbraw/zinc/77/51/20/451775120.db2.gz WJHIXFYEZJBXOB-HNNXBMFYSA-N 1 3 340.512 1.326 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000644562127 451863473 /nfs/dbraw/zinc/86/34/73/451863473.db2.gz XGGLXZDYUXYZIQ-ICSRJNTNSA-N 1 3 347.503 1.322 20 0 EDADHO CC(C)[NH+](CCCNC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581370 451873510 /nfs/dbraw/zinc/87/35/10/451873510.db2.gz GHOCPGRSLGZRTQ-KZNAEPCWSA-N 1 3 329.529 1.555 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000644583800 451877003 /nfs/dbraw/zinc/87/70/03/451877003.db2.gz LVIKILNEECLMEF-FGTMMUONSA-N 1 3 349.475 1.847 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)CC1 ZINC000644677949 451935172 /nfs/dbraw/zinc/93/51/72/451935172.db2.gz PQJAJQAMYBRCIP-HXUWFJFHSA-N 1 3 348.535 1.095 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CCCC[C@H](N)C1=O)CC(C)C ZINC000649285378 451959203 /nfs/dbraw/zinc/95/92/03/451959203.db2.gz UIFQJHDSFFYUQY-CVEARBPZSA-N 1 3 340.512 1.199 20 0 EDADHO COc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1OCCN(C)C ZINC000649301970 451978245 /nfs/dbraw/zinc/97/82/45/451978245.db2.gz CVRTUGPVSUJTDV-CVEARBPZSA-N 1 3 349.475 1.627 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000637666193 452008410 /nfs/dbraw/zinc/00/84/10/452008410.db2.gz XXMVDIFYIJBOPV-RHSMWYFYSA-N 1 3 346.479 1.708 20 0 EDADHO COC[C@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342871 452023085 /nfs/dbraw/zinc/02/30/85/452023085.db2.gz VBMBLQULWDJXMU-HKUYNNGSSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000643067084 452030268 /nfs/dbraw/zinc/03/02/68/452030268.db2.gz XQXGEPMSDXVXDB-KBAYOESNSA-N 1 3 330.476 1.089 20 0 EDADHO CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCN(CCn2cccn2)CC1 ZINC000649352519 452035140 /nfs/dbraw/zinc/03/51/40/452035140.db2.gz TUDCEDLRLMEQNY-WBVHZDCISA-N 1 3 333.480 1.181 20 0 EDADHO C[C@@H](CNC(=O)[C@H](N)c1cccc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000649351412 452035975 /nfs/dbraw/zinc/03/59/75/452035975.db2.gz VMKFAEOLIKIDOD-XJKSGUPXSA-N 1 3 338.883 1.340 20 0 EDADHO CN(C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)nc1 ZINC000649374027 452049028 /nfs/dbraw/zinc/04/90/28/452049028.db2.gz DPZKZFJRKHDDQH-IAGOWNOFSA-N 1 3 345.491 1.167 20 0 EDADHO Cn1cc(N2CC[C@H](N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417946 452080264 /nfs/dbraw/zinc/08/02/64/452080264.db2.gz PUHOCXZZQPJQMD-VYDXJSESSA-N 1 3 331.464 1.237 20 0 EDADHO C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCN1 ZINC000637839565 452110105 /nfs/dbraw/zinc/11/01/05/452110105.db2.gz DVPUNDCBADNHRY-MRXNPFEDSA-N 1 3 330.476 1.190 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649561774 452144833 /nfs/dbraw/zinc/14/48/33/452144833.db2.gz IXVHSNGPJJAGAE-SFHVURJKSA-N 1 3 346.519 1.843 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649561774 452144837 /nfs/dbraw/zinc/14/48/37/452144837.db2.gz IXVHSNGPJJAGAE-SFHVURJKSA-N 1 3 346.519 1.843 20 0 EDADHO C[C@H](CNC(=O)N1CCOC2(CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000645190094 452203174 /nfs/dbraw/zinc/20/31/74/452203174.db2.gz UCSGYQKKYVDLSH-MRXNPFEDSA-N 1 3 338.496 1.225 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000654012957 452203461 /nfs/dbraw/zinc/20/34/61/452203461.db2.gz MERRYZOTGROLSK-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CCN(C)C1 ZINC000645249524 452235288 /nfs/dbraw/zinc/23/52/88/452235288.db2.gz CZNDVRXUBDOHGK-KRWDZBQOSA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000649782156 452248984 /nfs/dbraw/zinc/24/89/84/452248984.db2.gz XDMQZBVRFDBODB-KDURUIRLSA-N 1 3 333.476 1.580 20 0 EDADHO CCCN1CCC([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641785865 452257415 /nfs/dbraw/zinc/25/74/15/452257415.db2.gz GDPOMURBNLRPLA-LJQANCHMSA-N 1 3 338.540 1.247 20 0 EDADHO CCC[NH+]1CCC(N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641785865 452257425 /nfs/dbraw/zinc/25/74/25/452257425.db2.gz GDPOMURBNLRPLA-LJQANCHMSA-N 1 3 338.540 1.247 20 0 EDADHO NC(=O)c1cccc(CNCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534507 452320275 /nfs/dbraw/zinc/32/02/75/452320275.db2.gz AAYYSQZMZMKMNB-UHFFFAOYSA-N 1 3 331.460 1.766 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)CN1Cc1ccccc1 ZINC000659468487 452325398 /nfs/dbraw/zinc/32/53/98/452325398.db2.gz BFTXNCTYYCYLKH-BBPFYFEFSA-N 1 3 328.460 1.701 20 0 EDADHO COc1cccc([C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)N2CCCC2)c1 ZINC000638052126 452328442 /nfs/dbraw/zinc/32/84/42/452328442.db2.gz XPHJWJDAZDJCQY-WMZOPIPTSA-N 1 3 329.444 1.996 20 0 EDADHO COCCN1CCC(NC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652140075 452333311 /nfs/dbraw/zinc/33/33/11/452333311.db2.gz CHBZOHIVELMCME-UHFFFAOYSA-N 1 3 338.427 1.194 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144689 452338532 /nfs/dbraw/zinc/33/85/32/452338532.db2.gz OONVPBPTHKJWLY-UXLLHSPISA-N 1 3 338.496 1.399 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000638054822 452339428 /nfs/dbraw/zinc/33/94/28/452339428.db2.gz FKQCIMGOFFNUEW-SFHVURJKSA-N 1 3 348.491 1.100 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000665764125 452350189 /nfs/dbraw/zinc/35/01/89/452350189.db2.gz VOPHKUSZDNKACC-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCC[C@H](CO)C1 ZINC000665764125 452350195 /nfs/dbraw/zinc/35/01/95/452350195.db2.gz VOPHKUSZDNKACC-HRCADAONSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183101 452379312 /nfs/dbraw/zinc/37/93/12/452379312.db2.gz OLZBCFWVVKYSOD-BQFCYCMXSA-N 1 3 338.496 1.258 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000638073178 452384410 /nfs/dbraw/zinc/38/44/10/452384410.db2.gz CGMUKCWIQAGZIW-OALUTQOASA-N 1 3 344.503 1.533 20 0 EDADHO COC[C@]1(C(=O)N2CCCN(Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473516 452442776 /nfs/dbraw/zinc/44/27/76/452442776.db2.gz RHJAEOXTEDQGLJ-FQEVSTJZSA-N 1 3 345.487 1.655 20 0 EDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659609149 452465970 /nfs/dbraw/zinc/46/59/70/452465970.db2.gz TUCWKQRNLQADSQ-JKSUJKDBSA-N 1 3 326.485 1.255 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCCN1CCCO ZINC000652291161 452475348 /nfs/dbraw/zinc/47/53/48/452475348.db2.gz HLUYHMGFFFGVIY-QGZVFWFLSA-N 1 3 334.464 1.052 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340981 452513679 /nfs/dbraw/zinc/51/36/79/452513679.db2.gz RNZXWFVEGGWSQE-AWEZNQCLSA-N 1 3 337.489 1.688 20 0 EDADHO CNC(=O)c1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363168 452545822 /nfs/dbraw/zinc/54/58/22/452545822.db2.gz ZMZPFFKFASPBSX-KSZLIROESA-N 1 3 331.460 1.907 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000654492061 452564528 /nfs/dbraw/zinc/56/45/28/452564528.db2.gz AXZCGQCJQUNMNF-UHFFFAOYSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000647833930 452567530 /nfs/dbraw/zinc/56/75/30/452567530.db2.gz UNEWGEMQWJCSIA-PKOBYXMFSA-N 1 3 344.503 1.750 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nccn1C(F)F ZINC000663922759 452648489 /nfs/dbraw/zinc/64/84/89/452648489.db2.gz QBMUHWNXFWIXSG-LBPRGKRZSA-N 1 3 346.426 1.349 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nccn1C(F)F ZINC000663922759 452648497 /nfs/dbraw/zinc/64/84/97/452648497.db2.gz QBMUHWNXFWIXSG-LBPRGKRZSA-N 1 3 346.426 1.349 20 0 EDADHO CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655920104 452681634 /nfs/dbraw/zinc/68/16/34/452681634.db2.gz HMNPRVWJTIRTHS-KBPBESRZSA-N 1 3 344.381 1.792 20 0 EDADHO Cc1cc(=O)n2nc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976159 452720593 /nfs/dbraw/zinc/72/05/93/452720593.db2.gz KZXMXZOFZBZTPD-ZIAGYGMSSA-N 1 3 347.488 1.671 20 0 EDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000659860674 452742185 /nfs/dbraw/zinc/74/21/85/452742185.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 1 3 327.513 1.122 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(CCN2CCOCC2)CC1 ZINC000659860674 452742192 /nfs/dbraw/zinc/74/21/92/452742192.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 1 3 327.513 1.122 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000652624251 452781253 /nfs/dbraw/zinc/78/12/53/452781253.db2.gz DUTJYLZMRLXLOZ-UHFFFAOYSA-N 1 3 346.475 1.365 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000652624251 452781262 /nfs/dbraw/zinc/78/12/62/452781262.db2.gz DUTJYLZMRLXLOZ-UHFFFAOYSA-N 1 3 346.475 1.365 20 0 EDADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167945 452878991 /nfs/dbraw/zinc/87/89/91/452878991.db2.gz JUCUUANELNCDTQ-MJGOQNOKSA-N 1 3 339.483 1.958 20 0 EDADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167945 452879000 /nfs/dbraw/zinc/87/90/00/452879000.db2.gz JUCUUANELNCDTQ-MJGOQNOKSA-N 1 3 339.483 1.958 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645977518 452962534 /nfs/dbraw/zinc/96/25/34/452962534.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000645977518 452962545 /nfs/dbraw/zinc/96/25/45/452962545.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 1 3 330.476 1.280 20 0 EDADHO Cc1ccccc1[C@H](N)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000645977518 452962555 /nfs/dbraw/zinc/96/25/55/452962555.db2.gz DYIIJYYJQQVOED-YJBOKZPZSA-N 1 3 330.476 1.280 20 0 EDADHO c1ccn2c(c1)nnc2[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260172 452990051 /nfs/dbraw/zinc/99/00/51/452990051.db2.gz GVYDSEPYTAQKLE-HUUCEWRRSA-N 1 3 327.432 1.430 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)N1CCCC[C@@H]1C ZINC000666627442 453019443 /nfs/dbraw/zinc/01/94/43/453019443.db2.gz RSWQFGLOFKHJNB-KBPBESRZSA-N 1 3 332.448 1.463 20 0 EDADHO CCOCCCNC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297995 453020612 /nfs/dbraw/zinc/02/06/12/453020612.db2.gz SVQNWLGKKNBSBG-WBVHZDCISA-N 1 3 325.497 1.629 20 0 EDADHO [NH3+][C@@H]1CCc2ccccc2N(CC(=O)NC2CCN(C3CC3)CC2)C1 ZINC000662303999 453025100 /nfs/dbraw/zinc/02/51/00/453025100.db2.gz ZQZMEWAOKWWFGM-MRXNPFEDSA-N 1 3 342.487 1.510 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000660141070 453072199 /nfs/dbraw/zinc/07/21/99/453072199.db2.gz QZLYLSRHFMXROV-CGTJXYLNSA-N 1 3 325.497 1.138 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H]1CCOC1 ZINC000660141070 453072202 /nfs/dbraw/zinc/07/22/02/453072202.db2.gz QZLYLSRHFMXROV-CGTJXYLNSA-N 1 3 325.497 1.138 20 0 EDADHO C[C@@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664421876 453083138 /nfs/dbraw/zinc/08/31/38/453083138.db2.gz QPUYWOPAFXQPBW-HRCADAONSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664421876 453083145 /nfs/dbraw/zinc/08/31/45/453083145.db2.gz QPUYWOPAFXQPBW-HRCADAONSA-N 1 3 328.501 1.373 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000644154770 453086967 /nfs/dbraw/zinc/08/69/67/453086967.db2.gz UZZFSPHUWVDRAE-SJORKVTESA-N 1 3 331.460 1.392 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644155047 453087542 /nfs/dbraw/zinc/08/75/42/453087542.db2.gz SGHRJPPAYUMITO-OAHLLOKOSA-N 1 3 325.403 1.853 20 0 EDADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000660156845 453088598 /nfs/dbraw/zinc/08/85/98/453088598.db2.gz SCZJMAIVEAJXSA-HVMFNXBNSA-N 1 3 348.535 1.392 20 0 EDADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC000660156845 453088601 /nfs/dbraw/zinc/08/86/01/453088601.db2.gz SCZJMAIVEAJXSA-HVMFNXBNSA-N 1 3 348.535 1.392 20 0 EDADHO CC(C)[NH2+]CC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000662387443 453096859 /nfs/dbraw/zinc/09/68/59/453096859.db2.gz IDCWTINBWBZPNY-UHFFFAOYSA-N 1 3 332.448 1.320 20 0 EDADHO CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CCN(C)C1 ZINC000664473498 453125559 /nfs/dbraw/zinc/12/55/59/453125559.db2.gz RZGPPGGJSNFVKH-BRWVUGGUSA-N 1 3 338.496 1.100 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(CC)CCOC3)CC2)CC1 ZINC000655025088 453147332 /nfs/dbraw/zinc/14/73/32/453147332.db2.gz JOAZMFYLTVTCRH-LJQANCHMSA-N 1 3 337.508 1.868 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C2CCCCC2)C1 ZINC000655027928 453150685 /nfs/dbraw/zinc/15/06/85/453150685.db2.gz GZIRMCKZIHCNHF-CEXWTWQISA-N 1 3 349.519 1.961 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4c(s3)CCNC4)C2)CC1 ZINC000662458247 453166314 /nfs/dbraw/zinc/16/63/14/453166314.db2.gz RWYBHDJWESRCRL-CQSZACIVSA-N 1 3 348.516 1.292 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000646183689 453194331 /nfs/dbraw/zinc/19/43/31/453194331.db2.gz MHCBEYJOGDPMIK-XYJFISCASA-N 1 3 328.460 1.881 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000646183689 453194338 /nfs/dbraw/zinc/19/43/38/453194338.db2.gz MHCBEYJOGDPMIK-XYJFISCASA-N 1 3 328.460 1.881 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121466 453313720 /nfs/dbraw/zinc/31/37/20/453313720.db2.gz WANYHWRRQZGAPS-KBAYOESNSA-N 1 3 332.492 1.292 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653158756 453350793 /nfs/dbraw/zinc/35/07/93/453350793.db2.gz KQLKFPRZBNWDIY-MSOLQXFVSA-N 1 3 348.491 1.227 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+]1C ZINC000648880168 453355279 /nfs/dbraw/zinc/35/52/79/453355279.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 1 3 345.487 1.734 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+]1C ZINC000648880168 453355290 /nfs/dbraw/zinc/35/52/90/453355290.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 1 3 345.487 1.734 20 0 EDADHO O=C(CCOC1C[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409988 453372404 /nfs/dbraw/zinc/37/24/04/453372404.db2.gz IXNHKSCOVHJFTC-GOSISDBHSA-N 1 3 331.460 1.708 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000658780595 453388329 /nfs/dbraw/zinc/38/83/29/453388329.db2.gz ZHKBDPQCBOXUGX-MRXNPFEDSA-N 1 3 346.475 1.596 20 0 EDADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000662674216 453390721 /nfs/dbraw/zinc/39/07/21/453390721.db2.gz ZYGPSCOHEBTRMO-ZWKOTPCHSA-N 1 3 331.460 1.174 20 0 EDADHO C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CNCCO2)cc1 ZINC000667082916 453393693 /nfs/dbraw/zinc/39/36/93/453393693.db2.gz CZDARZDEOUPUAJ-INIZCTEOSA-N 1 3 336.436 1.127 20 0 EDADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662699627 453420289 /nfs/dbraw/zinc/42/02/89/453420289.db2.gz CYEQYOBOSKOUCX-IRXDYDNUSA-N 1 3 348.535 1.678 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000662726199 453452600 /nfs/dbraw/zinc/45/26/00/453452600.db2.gz FRHOUVHHRBDMGO-OWYHZJEWSA-N 1 3 345.487 1.862 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000662733691 453458552 /nfs/dbraw/zinc/45/85/52/453458552.db2.gz VJYQYOLTYAMIFP-GJZGRUSLSA-N 1 3 341.521 1.218 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662755957 453492543 /nfs/dbraw/zinc/49/25/43/453492543.db2.gz DTRCGDOPQJVNOT-UHFFFAOYSA-N 1 3 330.476 1.322 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500137 /nfs/dbraw/zinc/50/01/37/453500137.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 1 3 343.471 1.793 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663122 453500141 /nfs/dbraw/zinc/50/01/41/453500141.db2.gz NIRLVDLLNQITIS-FQEVSTJZSA-N 1 3 343.471 1.793 20 0 EDADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662788013 453522720 /nfs/dbraw/zinc/52/27/20/453522720.db2.gz FVTHEFGPYQPBPB-RTBURBONSA-N 1 3 345.487 1.517 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000655449461 453536475 /nfs/dbraw/zinc/53/64/75/453536475.db2.gz HIAJHHRZULLCRA-UHFFFAOYSA-N 1 3 330.476 1.192 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662830102 453555639 /nfs/dbraw/zinc/55/56/39/453555639.db2.gz JLGPKYOJSGRSIY-ILXRZTDVSA-N 1 3 349.500 1.895 20 0 EDADHO C[C@H]1CC[NH2+][C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000662858291 453573520 /nfs/dbraw/zinc/57/35/20/453573520.db2.gz GFFKOUGCILOJKB-YJBOKZPZSA-N 1 3 330.476 1.798 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859479 453574108 /nfs/dbraw/zinc/57/41/08/453574108.db2.gz NGRLHIINHJBHHD-OTWHNJEPSA-N 1 3 343.471 1.400 20 0 EDADHO C[C@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000660828407 453591940 /nfs/dbraw/zinc/59/19/40/453591940.db2.gz CBWJLYLFHDETSJ-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000659096364 453629408 /nfs/dbraw/zinc/62/94/08/453629408.db2.gz PGPDRRPIIBLEKZ-INIZCTEOSA-N 1 3 346.475 1.724 20 0 EDADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270646 453631379 /nfs/dbraw/zinc/63/13/79/453631379.db2.gz LDMFHFSUWPNAGH-SJORKVTESA-N 1 3 337.533 1.804 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659100506 453633464 /nfs/dbraw/zinc/63/34/64/453633464.db2.gz BDJPPEQYFGLORT-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661091044 453711304 /nfs/dbraw/zinc/71/13/04/453711304.db2.gz DVXWIPDJPVAEKK-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661091044 453711308 /nfs/dbraw/zinc/71/13/08/453711308.db2.gz DVXWIPDJPVAEKK-FQEVSTJZSA-N 1 3 333.520 1.938 20 0 EDADHO CCOC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665638768 453778386 /nfs/dbraw/zinc/77/83/86/453778386.db2.gz BGPZBONEEIADJE-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CCOC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665638768 453778390 /nfs/dbraw/zinc/77/83/90/453778390.db2.gz BGPZBONEEIADJE-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO c1c([C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509980 453812903 /nfs/dbraw/zinc/81/29/03/453812903.db2.gz DIZQVRRIQJWPGF-GJZGRUSLSA-N 1 3 335.521 1.752 20 0 EDADHO c1c([C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509980 453812905 /nfs/dbraw/zinc/81/29/05/453812905.db2.gz DIZQVRRIQJWPGF-GJZGRUSLSA-N 1 3 335.521 1.752 20 0 EDADHO c1c([C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509984 453813088 /nfs/dbraw/zinc/81/30/88/453813088.db2.gz DIZQVRRIQJWPGF-HUUCEWRRSA-N 1 3 335.521 1.752 20 0 EDADHO c1c([C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CCNCC1 ZINC000663509984 453813090 /nfs/dbraw/zinc/81/30/90/453813090.db2.gz DIZQVRRIQJWPGF-HUUCEWRRSA-N 1 3 335.521 1.752 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)Nc2cccc3c2CCNC3)n1 ZINC000667746347 486946196 /nfs/dbraw/zinc/94/61/96/486946196.db2.gz KUZKRIUFJVNNES-UHFFFAOYSA-N 1 3 328.420 1.734 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cnc4c(c3)CNCC4)C2)CC1 ZINC000667800742 486971867 /nfs/dbraw/zinc/97/18/67/486971867.db2.gz NAXXUYYAPPQSJW-HNNXBMFYSA-N 1 3 343.475 1.923 20 0 EDADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219119 486977073 /nfs/dbraw/zinc/97/70/73/486977073.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 1 3 349.523 1.033 20 0 EDADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219119 486977076 /nfs/dbraw/zinc/97/70/76/486977076.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 1 3 349.523 1.033 20 0 EDADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004255 /nfs/dbraw/zinc/00/42/55/487004255.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004260 /nfs/dbraw/zinc/00/42/60/487004260.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 1 3 342.487 1.854 20 0 EDADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)ccn1 ZINC000677811701 487173141 /nfs/dbraw/zinc/17/31/41/487173141.db2.gz MVPGVCMRNFUBHA-OAHLLOKOSA-N 1 3 330.436 1.050 20 0 EDADHO Cc1nn2c(CNCCC[N@H+]3CCCN(C)CC3)c(C)nc2s1 ZINC000678012815 487227901 /nfs/dbraw/zinc/22/79/01/487227901.db2.gz SKBJPGVVDLJFRR-UHFFFAOYSA-N 1 3 336.509 1.525 20 0 EDADHO Cc1nn2c(CNCCC[N@@H+]3CCCN(C)CC3)c(C)nc2s1 ZINC000678012815 487227904 /nfs/dbraw/zinc/22/79/04/487227904.db2.gz SKBJPGVVDLJFRR-UHFFFAOYSA-N 1 3 336.509 1.525 20 0 EDADHO CN(C)c1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457603 487277988 /nfs/dbraw/zinc/27/79/88/487277988.db2.gz GIYNDZQBBHSDQA-OAHLLOKOSA-N 1 3 337.537 1.809 20 0 EDADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(OC)n1 ZINC000682228135 487325870 /nfs/dbraw/zinc/32/58/70/487325870.db2.gz PWOGYVGWCYDLDU-UHFFFAOYSA-N 1 3 339.440 1.056 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000672900348 485492101 /nfs/dbraw/zinc/49/21/01/485492101.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000672900348 485492109 /nfs/dbraw/zinc/49/21/09/485492109.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000669550945 485544250 /nfs/dbraw/zinc/54/42/50/485544250.db2.gz QHYDKWJWNKNCNI-MRXNPFEDSA-N 1 3 331.464 1.739 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CCCCC1 ZINC000671078886 485757347 /nfs/dbraw/zinc/75/73/47/485757347.db2.gz ZKVRJXWPVQGUOG-UHFFFAOYSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CCO1 ZINC000669323277 485970221 /nfs/dbraw/zinc/97/02/21/485970221.db2.gz GXYVRZZTUANPQY-JQHSSLGASA-N 1 3 346.475 1.581 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000669420290 486138996 /nfs/dbraw/zinc/13/89/96/486138996.db2.gz IANVRNRIEUDHBJ-MSOLQXFVSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000669420290 486139005 /nfs/dbraw/zinc/13/90/05/486139005.db2.gz IANVRNRIEUDHBJ-MSOLQXFVSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000669420292 486140007 /nfs/dbraw/zinc/14/00/07/486140007.db2.gz IANVRNRIEUDHBJ-ROUUACIJSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CNCCO1 ZINC000669420292 486140017 /nfs/dbraw/zinc/14/00/17/486140017.db2.gz IANVRNRIEUDHBJ-ROUUACIJSA-N 1 3 346.475 1.186 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000670503668 486598872 /nfs/dbraw/zinc/59/88/72/486598872.db2.gz PNUONLZHYDYBIJ-INIZCTEOSA-N 1 3 340.512 1.212 20 0 EDADHO CCC(=O)N1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000089144843 491196343 /nfs/dbraw/zinc/19/63/43/491196343.db2.gz QZNQZPUPGPXBIT-HOTGVXAUSA-N 1 3 325.497 1.866 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000080072832 491170582 /nfs/dbraw/zinc/17/05/82/491170582.db2.gz UTOXGCGORPDCOP-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000080072832 491170587 /nfs/dbraw/zinc/17/05/87/491170587.db2.gz UTOXGCGORPDCOP-CVEARBPZSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000353113454 534905292 /nfs/dbraw/zinc/90/52/92/534905292.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000353113454 534905296 /nfs/dbraw/zinc/90/52/96/534905296.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262691713 535059615 /nfs/dbraw/zinc/05/96/15/535059615.db2.gz ARWZEFJLJBLUAD-ZBFHGGJFSA-N 1 3 332.448 1.306 20 0 EDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262691713 535059621 /nfs/dbraw/zinc/05/96/21/535059621.db2.gz ARWZEFJLJBLUAD-ZBFHGGJFSA-N 1 3 332.448 1.306 20 0 EDADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262660922 535316469 /nfs/dbraw/zinc/31/64/69/535316469.db2.gz GASPXOYBBAUQND-RBUKOAKNSA-N 1 3 347.503 1.922 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)NCCN(C)C ZINC000270622632 535555589 /nfs/dbraw/zinc/55/55/89/535555589.db2.gz DLEHZBCXLRWKPC-UHFFFAOYSA-N 1 3 336.480 1.768 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699905 535675140 /nfs/dbraw/zinc/67/51/40/535675140.db2.gz OODGJJUZPLTWQX-MJGOQNOKSA-N 1 3 333.476 1.812 20 0 EDADHO CCN1CCN(CCCCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875414 535689259 /nfs/dbraw/zinc/68/92/59/535689259.db2.gz SLMMRGCCOFNJGG-MSOLQXFVSA-N 1 3 338.540 1.546 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236951652 535714287 /nfs/dbraw/zinc/71/42/87/535714287.db2.gz YYKXOCXBBTVWST-OWSLCNJRSA-N 1 3 336.524 1.297 20 0 EDADHO CC[C@]1(C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000248751289 535878432 /nfs/dbraw/zinc/87/84/32/535878432.db2.gz UCIMCUOZQRNJQB-TXPKVOOTSA-N 1 3 337.508 1.866 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717677 535954872 /nfs/dbraw/zinc/95/48/72/535954872.db2.gz WPBDAJAWCMYTJA-LXZKKBNFSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717677 535954878 /nfs/dbraw/zinc/95/48/78/535954878.db2.gz WPBDAJAWCMYTJA-LXZKKBNFSA-N 1 3 346.475 1.696 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262349138 536017543 /nfs/dbraw/zinc/01/75/43/536017543.db2.gz UGUVZDBGQRMIKQ-UHFFFAOYSA-N 1 3 337.489 1.512 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079490598 536784099 /nfs/dbraw/zinc/78/40/99/536784099.db2.gz FTLMXABLNLPWDH-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000079490598 536784104 /nfs/dbraw/zinc/78/41/04/536784104.db2.gz FTLMXABLNLPWDH-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(N(C)C)cc1 ZINC000729434346 578575225 /nfs/dbraw/zinc/57/52/25/578575225.db2.gz BMPGMHNOVIYNJG-UHFFFAOYSA-N 1 3 334.508 1.637 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccccn2)n1 ZINC000729436655 578575383 /nfs/dbraw/zinc/57/53/83/578575383.db2.gz XVPOWOTXXVRYDU-UHFFFAOYSA-N 1 3 347.488 1.771 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@@H+]1CCCC[C@H]1C ZINC000729496851 578577683 /nfs/dbraw/zinc/57/76/83/578577683.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[N@H+]1CCCC[C@H]1C ZINC000729496851 578577685 /nfs/dbraw/zinc/57/76/85/578577685.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 1 3 338.496 1.412 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618161 578584791 /nfs/dbraw/zinc/58/47/91/578584791.db2.gz HKISIHGUYPRNNN-IXDOHACOSA-N 1 3 336.480 1.119 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734275680 578804310 /nfs/dbraw/zinc/80/43/10/578804310.db2.gz AZJCVMGQTTWGEF-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734275680 578804311 /nfs/dbraw/zinc/80/43/11/578804311.db2.gz AZJCVMGQTTWGEF-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824511 579564451 /nfs/dbraw/zinc/56/44/51/579564451.db2.gz JNEOCOFLXZZTGE-PVAVHDDUSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000745824511 579564452 /nfs/dbraw/zinc/56/44/52/579564452.db2.gz JNEOCOFLXZZTGE-PVAVHDDUSA-N 1 3 338.496 1.412 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000750735170 579778957 /nfs/dbraw/zinc/77/89/57/579778957.db2.gz VHZXHXKWVBMHGX-XZVRFQMRSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000750735170 579778958 /nfs/dbraw/zinc/77/89/58/579778958.db2.gz VHZXHXKWVBMHGX-XZVRFQMRSA-N 1 3 333.480 1.308 20 0 EDADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762789443 580083343 /nfs/dbraw/zinc/08/33/43/580083343.db2.gz VOVONMZNWBHRQA-IAQYHMDHSA-N 1 3 326.828 1.108 20 0 EDADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762789443 580083344 /nfs/dbraw/zinc/08/33/44/580083344.db2.gz VOVONMZNWBHRQA-IAQYHMDHSA-N 1 3 326.828 1.108 20 0 EDADHO CC1(C)CCC[N@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000770524389 580263592 /nfs/dbraw/zinc/26/35/92/580263592.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 1 3 338.496 1.271 20 0 EDADHO CC1(C)CCC[N@@H+](CCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000770524389 580263593 /nfs/dbraw/zinc/26/35/93/580263593.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCC=CO3)CC2)CC1 ZINC000780363397 580519989 /nfs/dbraw/zinc/51/99/89/580519989.db2.gz PZNNAAJLXOIWEF-KRWDZBQOSA-N 1 3 336.480 1.537 20 0 EDADHO CN1CCC(NC(=S)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000786086087 580660786 /nfs/dbraw/zinc/66/07/86/580660786.db2.gz OQDKBZNWQIASAY-UHFFFAOYSA-N 1 3 334.533 1.849 20 0 EDADHO CN1CCN(CCCC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795900053 580940685 /nfs/dbraw/zinc/94/06/85/580940685.db2.gz QWFXRAGFAMZESO-UHFFFAOYSA-N 1 3 325.497 1.537 20 0 EDADHO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000801577871 581080489 /nfs/dbraw/zinc/08/04/89/581080489.db2.gz SAYMBCSOPARPOD-YJBOKZPZSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000801577871 581080490 /nfs/dbraw/zinc/08/04/90/581080490.db2.gz SAYMBCSOPARPOD-YJBOKZPZSA-N 1 3 341.496 1.680 20 0 EDADHO CSC1(CNC(=O)N2C3CCC2(C[NH3+])CC3)CCN(C)CC1 ZINC000891905416 590681515 /nfs/dbraw/zinc/68/15/15/590681515.db2.gz HQDYJJLABSQWLV-UHFFFAOYSA-N 1 3 326.510 1.479 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccncc2CO)CC1 ZINC000891951774 590703437 /nfs/dbraw/zinc/70/34/37/590703437.db2.gz CHWOEENVJGEDFL-UHFFFAOYSA-N 1 3 348.491 1.494 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170617 590841114 /nfs/dbraw/zinc/84/11/14/590841114.db2.gz VCVBGOLOHBMHHF-MSOLQXFVSA-N 1 3 346.475 1.247 20 0 EDADHO CC1(C)CC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)[NH2+]C1 ZINC000892393323 591008666 /nfs/dbraw/zinc/00/86/66/591008666.db2.gz NJSWOFZXJGCSAV-OAHLLOKOSA-N 1 3 331.464 1.691 20 0 EDADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399964 591011413 /nfs/dbraw/zinc/01/14/13/591011413.db2.gz MDPUTFROMYFUOH-ZWKOTPCHSA-N 1 3 332.492 1.930 20 0 EDADHO CCN(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000892529987 591060616 /nfs/dbraw/zinc/06/06/16/591060616.db2.gz HBJXEZFOOLZUGA-ROUUACIJSA-N 1 3 330.476 1.963 20 0 EDADHO C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000892585307 591082257 /nfs/dbraw/zinc/08/22/57/591082257.db2.gz VBBCAVZTHATFOA-NXOAAHMSSA-N 1 3 343.475 1.832 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000891518379 591104620 /nfs/dbraw/zinc/10/46/20/591104620.db2.gz PWWLOXBXHHEQIH-PBHICJAKSA-N 1 3 346.475 1.274 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544535 591118408 /nfs/dbraw/zinc/11/84/08/591118408.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000891544535 591118411 /nfs/dbraw/zinc/11/84/11/591118411.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 1 3 330.476 1.902 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000893988863 591161263 /nfs/dbraw/zinc/16/12/63/591161263.db2.gz CZRSTLQILUHNHG-AEFFLSMTSA-N 1 3 343.475 1.644 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)CN1C1CC1 ZINC000891662285 591174265 /nfs/dbraw/zinc/17/42/65/591174265.db2.gz XXJRUWNMIVJGCA-CJNGLKHVSA-N 1 3 328.460 1.757 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CCN(C)CC1 ZINC000894077994 591188249 /nfs/dbraw/zinc/18/82/49/591188249.db2.gz YKXCMLOIBIRURW-KBXCAEBGSA-N 1 3 343.475 1.726 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC[C@H]1N1CCN(C)CC1 ZINC000894077994 591188251 /nfs/dbraw/zinc/18/82/51/591188251.db2.gz YKXCMLOIBIRURW-KBXCAEBGSA-N 1 3 343.475 1.726 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000892809246 591189012 /nfs/dbraw/zinc/18/90/12/591189012.db2.gz UMGSOWQFXYGEOF-RTBURBONSA-N 1 3 342.487 1.971 20 0 EDADHO CN1CCN(CCCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894173060 591216711 /nfs/dbraw/zinc/21/67/11/591216711.db2.gz GKQGMPGPPHNZAV-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N2CCC(N3CCN(C)CC3)CC2)CC1 ZINC000892934814 591229916 /nfs/dbraw/zinc/22/99/16/591229916.db2.gz KNCAAPAYEDHGBJ-UHFFFAOYSA-N 1 3 337.512 1.022 20 0 EDADHO COC(=O)[C@@H]1[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000894332735 591281467 /nfs/dbraw/zinc/28/14/67/591281467.db2.gz QNZZTPVEANNPCE-XQLPTFJDSA-N 1 3 346.418 1.398 20 0 EDADHO C[C@H]1CCN(CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000894346174 591285418 /nfs/dbraw/zinc/28/54/18/591285418.db2.gz QYVAAQMIPYIHTP-INIZCTEOSA-N 1 3 332.492 1.932 20 0 EDADHO CN1CCC(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC000894470228 591320971 /nfs/dbraw/zinc/32/09/71/591320971.db2.gz GGBIOTROOZEGGR-UHFFFAOYSA-N 1 3 332.448 1.366 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2oc(=O)oc2c1 ZINC000894765541 591414500 /nfs/dbraw/zinc/41/45/00/591414500.db2.gz JLKYXSVKCZROFW-UHFFFAOYSA-N 1 3 333.432 1.844 20 0 EDADHO C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)N(C)Cc1ccccc1 ZINC000896291973 591417125 /nfs/dbraw/zinc/41/71/25/591417125.db2.gz MVXRLOUHBHIWPK-MRXNPFEDSA-N 1 3 345.487 1.734 20 0 EDADHO CSC1(CNC(=O)NCCN2CCC(C)(C)C2)CC[NH+](C)CC1 ZINC000894950711 591497090 /nfs/dbraw/zinc/49/70/90/591497090.db2.gz AOJJOHRKAWFEPS-UHFFFAOYSA-N 1 3 342.553 1.845 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517542 591517510 /nfs/dbraw/zinc/51/75/10/591517510.db2.gz AZQVVCVPVHBFTE-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704712 /nfs/dbraw/zinc/70/47/12/591704712.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 1 3 345.487 1.642 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704717 /nfs/dbraw/zinc/70/47/17/591704717.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 1 3 345.487 1.642 20 0 EDADHO C[C@@H](CC[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)N(C)C ZINC000895429248 591753551 /nfs/dbraw/zinc/75/35/51/591753551.db2.gz LTTANAYZQCDXCO-HNNXBMFYSA-N 1 3 342.528 1.905 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000900159424 591920654 /nfs/dbraw/zinc/92/06/54/591920654.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 1 3 345.487 1.398 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000900159424 591920658 /nfs/dbraw/zinc/92/06/58/591920658.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 1 3 345.487 1.398 20 0 EDADHO CC[NH+](CC)CCOc1cccc(N2C(=O)N[C@@H](CN(C)C)C2=O)c1 ZINC000900281976 591970041 /nfs/dbraw/zinc/97/00/41/591970041.db2.gz LHKRHWFUCUJNKT-INIZCTEOSA-N 1 3 348.447 1.394 20 0 EDADHO C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1(N)CC1 ZINC000902375361 591982879 /nfs/dbraw/zinc/98/28/79/591982879.db2.gz VGFGDXAOFYHLFJ-LLVKDONJSA-N 1 3 327.425 1.335 20 0 EDADHO [NH3+]CCCC[C@@H](NCCN1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000902399586 591990717 /nfs/dbraw/zinc/99/07/17/591990717.db2.gz UTGWIGAIKDHVEY-WMLDXEAASA-N 1 3 327.419 1.791 20 0 EDADHO N=C(NOCc1noc(-c2cccs2)n1)[C@H]1CN2CCC[C@H]2CO1 ZINC000902810361 592068409 /nfs/dbraw/zinc/06/84/09/592068409.db2.gz QKZJGMMXGRSOOP-WDEREUQCSA-N 1 3 349.416 1.660 20 0 EDADHO N=C(NOCc1noc(-c2cccs2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902810361 592068411 /nfs/dbraw/zinc/06/84/11/592068411.db2.gz QKZJGMMXGRSOOP-WDEREUQCSA-N 1 3 349.416 1.660 20 0 EDADHO N=C(NOCc1noc(-c2cccs2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902810361 592068414 /nfs/dbraw/zinc/06/84/14/592068414.db2.gz QKZJGMMXGRSOOP-WDEREUQCSA-N 1 3 349.416 1.660 20 0 EDADHO N=C(NOCc1cnn(-c2ccccc2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809865 592068568 /nfs/dbraw/zinc/06/85/68/592068568.db2.gz KWWJMTLDLULQJT-JKSUJKDBSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCc1cnn(-c2ccccc2)n1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902809865 592068571 /nfs/dbraw/zinc/06/85/71/592068571.db2.gz KWWJMTLDLULQJT-JKSUJKDBSA-N 1 3 342.403 1.129 20 0 EDADHO [NH3+][C@@H]1CC[C@H](CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000903437150 592170049 /nfs/dbraw/zinc/17/00/49/592170049.db2.gz GDMANMQNZHDJLR-YQVWRLOYSA-N 1 3 342.487 1.537 20 0 EDADHO C[C@H]1CCN(CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000903459657 592171818 /nfs/dbraw/zinc/17/18/18/592171818.db2.gz WDLLCAFLVOCNJC-LSDHHAIUSA-N 1 3 345.443 1.216 20 0 EDADHO CC1(C)[C@H](NCCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000903482441 592177039 /nfs/dbraw/zinc/17/70/39/592177039.db2.gz HWQXJFIULDXHIF-LSDHHAIUSA-N 1 3 331.416 1.015 20 0 EDADHO CC1(C)[C@H]([NH2+]CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1N ZINC000903482441 592177040 /nfs/dbraw/zinc/17/70/40/592177040.db2.gz HWQXJFIULDXHIF-LSDHHAIUSA-N 1 3 331.416 1.015 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000903495076 592186806 /nfs/dbraw/zinc/18/68/06/592186806.db2.gz UCBNYNYUHOBWML-HXNLIRTISA-N 1 3 336.354 1.309 20 0 EDADHO C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495884 592187699 /nfs/dbraw/zinc/18/76/99/592187699.db2.gz AZWZDHIURABJKN-HZSPNIEDSA-N 1 3 330.432 1.277 20 0 EDADHO COc1c(C)cnc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1C ZINC000903525104 592197972 /nfs/dbraw/zinc/19/79/72/592197972.db2.gz OQMUWVSNQPNYJM-QAPCUYQASA-N 1 3 346.475 1.443 20 0 EDADHO Cc1cc(C)c(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(C)n1 ZINC000903526757 592198687 /nfs/dbraw/zinc/19/86/87/592198687.db2.gz LWIROJNCTIFEBY-MJGOQNOKSA-N 1 3 330.476 1.743 20 0 EDADHO Brc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCO2 ZINC000903565019 592212261 /nfs/dbraw/zinc/21/22/61/592212261.db2.gz CJKKRWJMTUAGGK-CQSZACIVSA-N 1 3 340.265 1.768 20 0 EDADHO C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000903548531 592213783 /nfs/dbraw/zinc/21/37/83/592213783.db2.gz ADWQRSDIVPXPCR-UKRRQHHQSA-N 1 3 325.478 1.272 20 0 EDADHO CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341887 592234422 /nfs/dbraw/zinc/23/44/22/592234422.db2.gz YTQUDGXLRKNMGZ-PHIMTYICSA-N 1 3 343.415 1.012 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906650427 592234967 /nfs/dbraw/zinc/23/49/67/592234967.db2.gz HSGPBXOTWPZJOJ-UHFFFAOYSA-N 1 3 346.475 1.619 20 0 EDADHO CC(C)(C)CC[C@@H](N)C[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000904379849 592246540 /nfs/dbraw/zinc/24/65/40/592246540.db2.gz DKFKTKYZVKJHCM-KGLIPLIRSA-N 1 3 331.468 1.446 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904411967 592251655 /nfs/dbraw/zinc/25/16/55/592251655.db2.gz QTPFAHKAWQFLAF-CZUORRHYSA-N 1 3 336.480 1.868 20 0 EDADHO COC(=O)CCC1(NCc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000904434884 592255971 /nfs/dbraw/zinc/25/59/71/592255971.db2.gz ZZWDDAOONGKTLX-OAHLLOKOSA-N 1 3 349.479 1.948 20 0 EDADHO COC(=O)CCC1([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)CCCCC1 ZINC000904433437 592256031 /nfs/dbraw/zinc/25/60/31/592256031.db2.gz NOJCQZVDHLOEIF-HNNXBMFYSA-N 1 3 339.480 1.429 20 0 EDADHO CN1CCN(c2ncc(CN3CCC(C(C)(C)C[NH3+])CC3)cn2)CC1 ZINC000904443443 592262036 /nfs/dbraw/zinc/26/20/36/592262036.db2.gz KKEQXXVBLMFTIG-UHFFFAOYSA-N 1 3 346.523 1.425 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CC[C@H](Cc3nccs3)C2)cnn1C ZINC000904469900 592267620 /nfs/dbraw/zinc/26/76/20/592267620.db2.gz QYPOPDYZPVXWLI-CABCVRRESA-N 1 3 333.505 1.867 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)C[C@]2(C)C1 ZINC000904514396 592276025 /nfs/dbraw/zinc/27/60/25/592276025.db2.gz OBRHSCZCSHWLHF-KDOFPFPSSA-N 1 3 330.432 1.584 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3)CNCCO4)C[C@]2(C)C1 ZINC000904514396 592276029 /nfs/dbraw/zinc/27/60/29/592276029.db2.gz OBRHSCZCSHWLHF-KDOFPFPSSA-N 1 3 330.432 1.584 20 0 EDADHO CC(C)[C@H](C)NC(=O)C1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727080 592285815 /nfs/dbraw/zinc/28/58/15/592285815.db2.gz PVTYLFPZULPNAZ-KVSKMBFKSA-N 1 3 337.508 1.628 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1CN(C)C ZINC000906737495 592302303 /nfs/dbraw/zinc/30/23/03/592302303.db2.gz CWWLJHJTAATHCA-KRWDZBQOSA-N 1 3 346.475 1.644 20 0 EDADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763228 592308024 /nfs/dbraw/zinc/30/80/24/592308024.db2.gz IWMPJGGTMCJOKV-SWLSCSKDSA-N 1 3 349.397 1.146 20 0 EDADHO NCc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000904662224 592308329 /nfs/dbraw/zinc/30/83/29/592308329.db2.gz YJKOXEGZZCEXLW-AWEZNQCLSA-N 1 3 332.448 1.768 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000901277293 592310197 /nfs/dbraw/zinc/31/01/97/592310197.db2.gz VTUGJVNENBHRGF-UHFFFAOYSA-N 1 3 335.496 1.639 20 0 EDADHO O=S1(=O)CCCN1CCN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000903789483 592322672 /nfs/dbraw/zinc/32/26/72/592322672.db2.gz YDNZARZMNTYKMK-OAHLLOKOSA-N 1 3 329.510 1.124 20 0 EDADHO C[C@@H](C(=O)N1CCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898545 592369070 /nfs/dbraw/zinc/36/90/70/592369070.db2.gz PBHJPGACDIOGTC-OOKSDGMUSA-N 1 3 334.508 1.146 20 0 EDADHO CC(C)([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000903959783 592391060 /nfs/dbraw/zinc/39/10/60/592391060.db2.gz OGGFIHLVKRXQJV-GFCCVEGCSA-N 1 3 325.403 1.987 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)oc1C ZINC000903980073 592400254 /nfs/dbraw/zinc/40/02/54/592400254.db2.gz GADZWPOFDVQPSC-IYBDPMFKSA-N 1 3 347.459 1.775 20 0 EDADHO COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)oc1C ZINC000903980073 592400258 /nfs/dbraw/zinc/40/02/58/592400258.db2.gz GADZWPOFDVQPSC-IYBDPMFKSA-N 1 3 347.459 1.775 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905110244 592411119 /nfs/dbraw/zinc/41/11/19/592411119.db2.gz LHLGAQBWOUDKNE-QGZVFWFLSA-N 1 3 327.513 1.050 20 0 EDADHO C[C@H](CCNC[C@H](O)C[C@@]1(O)CCOC1)[N@H+](C)Cc1ccccc1 ZINC000905147777 592438328 /nfs/dbraw/zinc/43/83/28/592438328.db2.gz RRBCXPSUNSLNAT-QRQLOZEOSA-N 1 3 336.476 1.389 20 0 EDADHO C[C@H](CCNC[C@H](O)C[C@@]1(O)CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000905147777 592438332 /nfs/dbraw/zinc/43/83/32/592438332.db2.gz RRBCXPSUNSLNAT-QRQLOZEOSA-N 1 3 336.476 1.389 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000904295394 592470813 /nfs/dbraw/zinc/47/08/13/592470813.db2.gz OQTKQJMJWPWBSH-SFHVURJKSA-N 1 3 332.448 1.987 20 0 EDADHO CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000905349823 592502480 /nfs/dbraw/zinc/50/24/80/592502480.db2.gz PURQXVFAKCOYPI-MRXNPFEDSA-N 1 3 339.505 1.901 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333289 592508945 /nfs/dbraw/zinc/50/89/45/592508945.db2.gz AOYYFFPRZBZVIV-GASCZTMLSA-N 1 3 345.553 1.662 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334302 592508951 /nfs/dbraw/zinc/50/89/51/592508951.db2.gz QIUOUIOYGTZIRO-HUUCEWRRSA-N 1 3 331.526 1.273 20 0 EDADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333296 592509037 /nfs/dbraw/zinc/50/90/37/592509037.db2.gz AOYYFFPRZBZVIV-HUUCEWRRSA-N 1 3 345.553 1.662 20 0 EDADHO C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)n2C)CCCN1C ZINC000908567662 592542197 /nfs/dbraw/zinc/54/21/97/592542197.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 1 3 332.496 1.401 20 0 EDADHO C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)n2C)CCCN1C ZINC000908567662 592542199 /nfs/dbraw/zinc/54/21/99/592542199.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 1 3 332.496 1.401 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501869 592545922 /nfs/dbraw/zinc/54/59/22/592545922.db2.gz HSACCUZRVJSCSJ-ZSXDVEMLSA-N 1 3 336.451 1.928 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905624465 592589497 /nfs/dbraw/zinc/58/94/97/592589497.db2.gz NVZRHIMUFAUVMD-ARFHVFGLSA-N 1 3 341.496 1.726 20 0 EDADHO CC(C)COc1cncc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000905702373 592615343 /nfs/dbraw/zinc/61/53/43/592615343.db2.gz FPUZWVRUQXGXBZ-CALCHBBNSA-N 1 3 345.491 1.916 20 0 EDADHO CC(C)COc1cncc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000905702373 592615345 /nfs/dbraw/zinc/61/53/45/592615345.db2.gz FPUZWVRUQXGXBZ-CALCHBBNSA-N 1 3 345.491 1.916 20 0 EDADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218836 592760308 /nfs/dbraw/zinc/76/03/08/592760308.db2.gz OEFLGSUESWOKTK-CVEARBPZSA-N 1 3 331.464 1.047 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000907782831 592793224 /nfs/dbraw/zinc/79/32/24/592793224.db2.gz MEAITROVNVGZCR-UHFFFAOYSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])N1CCC[C@H](C)C1 ZINC000906645014 592865807 /nfs/dbraw/zinc/86/58/07/592865807.db2.gz IJJVGQHBXXRIIX-UONOGXRCSA-N 1 3 332.448 1.320 20 0 EDADHO N[C@@H](CC(=O)NC[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)cc1F ZINC000911713956 592986332 /nfs/dbraw/zinc/98/63/32/592986332.db2.gz MYGZARDJJFWIFB-VXGBXAGGSA-N 1 3 329.366 1.622 20 0 EDADHO C[NH2+]C1CCN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)CC1 ZINC000911787821 593008661 /nfs/dbraw/zinc/00/86/61/593008661.db2.gz VUPKUYYQIRWFLX-RMKNXTFCSA-N 1 3 331.460 1.851 20 0 EDADHO CCC(CC)(C[NH3+])NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911799400 593012335 /nfs/dbraw/zinc/01/23/35/593012335.db2.gz HIZAECCJYCCJMK-LLVKDONJSA-N 1 3 331.382 1.998 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911804093 593013476 /nfs/dbraw/zinc/01/34/76/593013476.db2.gz ZQUMDCFGUUCCIP-LFIXQJEJSA-N 1 3 331.460 1.884 20 0 EDADHO C[C@]1(C2CC2)NC(=O)N(c2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2)C1=O ZINC000817929516 593649869 /nfs/dbraw/zinc/64/98/69/593649869.db2.gz PLBVDBUBUUIPTE-JTDSTZFVSA-N 1 3 342.443 1.881 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]CCC(=O)N(C)OC)CC1 ZINC000818958633 593730355 /nfs/dbraw/zinc/73/03/55/593730355.db2.gz SNBYHRCJJRKOIR-UHFFFAOYSA-N 1 3 348.491 1.324 20 0 EDADHO Cc1cc(F)ccc1[C@H](O)C[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000819003811 593733487 /nfs/dbraw/zinc/73/34/87/593733487.db2.gz HIXYZEXAUZOUFR-WMLDXEAASA-N 1 3 337.439 1.345 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1(C)C ZINC000819288058 593748709 /nfs/dbraw/zinc/74/87/09/593748709.db2.gz UHQZCOLUKKFTJH-MRXNPFEDSA-N 1 3 325.884 1.989 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101691 /nfs/dbraw/zinc/10/16/91/594101691.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 1 3 345.487 1.742 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101692 /nfs/dbraw/zinc/10/16/92/594101692.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 1 3 345.487 1.742 20 0 EDADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000831177740 594575703 /nfs/dbraw/zinc/57/57/03/594575703.db2.gz BEHDMBHNJMJOON-LJQANCHMSA-N 1 3 338.455 1.956 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000841018635 594840449 /nfs/dbraw/zinc/84/04/49/594840449.db2.gz YZEBFHVXAJFRQB-QGZVFWFLSA-N 1 3 347.463 1.020 20 0 EDADHO CN(C)CCNC(=O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841270834 594879039 /nfs/dbraw/zinc/87/90/39/594879039.db2.gz CMDUMDXXBTXBNF-OAHLLOKOSA-N 1 3 334.420 1.279 20 0 EDADHO O=C(NCC[NH2+]C1CCCCCC1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000841791017 594953446 /nfs/dbraw/zinc/95/34/46/594953446.db2.gz LRNQGFNDGAXGQU-DLBZAZTESA-N 1 3 338.496 1.461 20 0 EDADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000841845951 594964040 /nfs/dbraw/zinc/96/40/40/594964040.db2.gz CJVPAFHYEDKSSB-KBRIMQKVSA-N 1 3 345.443 1.922 20 0 EDADHO NC[C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1 ZINC000843457947 595117680 /nfs/dbraw/zinc/11/76/80/595117680.db2.gz XMEYMDNPNCEZIS-MRXNPFEDSA-N 1 3 331.395 1.628 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844169211 595289863 /nfs/dbraw/zinc/28/98/63/595289863.db2.gz RTIHIXSZGLJJHL-LJQANCHMSA-N 1 3 345.487 1.798 20 0 EDADHO C[C@H](CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170075 595290214 /nfs/dbraw/zinc/29/02/14/595290214.db2.gz GOTAWHPNZWSLAK-CRAIPNDOSA-N 1 3 337.508 1.772 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901478 595410439 /nfs/dbraw/zinc/41/04/39/595410439.db2.gz FSGDSGRDHJAFEJ-KZNAEPCWSA-N 1 3 341.459 1.986 20 0 EDADHO CN(C)CCOc1cc(-c2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)ccn1 ZINC000844912480 595412550 /nfs/dbraw/zinc/41/25/50/595412550.db2.gz HPHPQKKOAJJPBQ-GXTWGEPZSA-N 1 3 331.420 1.742 20 0 EDADHO COC[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849079001 595479017 /nfs/dbraw/zinc/47/90/17/595479017.db2.gz KLBCUMSKEAZAJV-QGZVFWFLSA-N 1 3 334.464 1.426 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088363 595479696 /nfs/dbraw/zinc/47/96/96/595479696.db2.gz GTMVFIOMPNXKGQ-LLVKDONJSA-N 1 3 344.506 1.250 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486800 595547699 /nfs/dbraw/zinc/54/76/99/595547699.db2.gz JAKVYKLJGBDUTC-QZTJIDSGSA-N 1 3 347.507 1.448 20 0 EDADHO CC(C)[NH+](CCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849485445 595548250 /nfs/dbraw/zinc/54/82/50/595548250.db2.gz WVMYIKRJLGOYFC-ROUUACIJSA-N 1 3 349.523 1.690 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557262 /nfs/dbraw/zinc/55/72/62/595557262.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 1 3 335.496 1.302 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557265 /nfs/dbraw/zinc/55/72/65/595557265.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 1 3 335.496 1.302 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541268 595560557 /nfs/dbraw/zinc/56/05/57/595560557.db2.gz MOKMLDZACWLBKN-NXHRZFHOSA-N 1 3 349.523 1.690 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572598 595574831 /nfs/dbraw/zinc/57/48/31/595574831.db2.gz CFKOLTQIOKDGDR-IRXDYDNUSA-N 1 3 347.507 1.304 20 0 EDADHO C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000852872514 595591335 /nfs/dbraw/zinc/59/13/35/595591335.db2.gz OUPZPJGRHSIILU-GDBMZVCRSA-N 1 3 330.432 1.213 20 0 EDADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597326 /nfs/dbraw/zinc/59/73/26/595597326.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 1 3 333.480 1.056 20 0 EDADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597330 /nfs/dbraw/zinc/59/73/30/595597330.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 1 3 333.480 1.056 20 0 EDADHO O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000852887125 595599589 /nfs/dbraw/zinc/59/95/89/595599589.db2.gz GCGXSLYLSHMNPT-LJQANCHMSA-N 1 3 343.471 1.704 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)NC2CC2)cc1F ZINC000852906643 595609224 /nfs/dbraw/zinc/60/92/24/595609224.db2.gz MRTZZEMYYUCQMX-PJODQICGSA-N 1 3 335.423 1.537 20 0 EDADHO C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CCCCC1 ZINC000853466131 595759076 /nfs/dbraw/zinc/75/90/76/595759076.db2.gz SUIBTULIINXPJC-INIZCTEOSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1noc2ccccc12 ZINC000854229086 596009024 /nfs/dbraw/zinc/00/90/24/596009024.db2.gz XXSUVYOASCLGFM-AWEZNQCLSA-N 1 3 347.463 1.899 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1noc2ccccc12 ZINC000854229086 596009027 /nfs/dbraw/zinc/00/90/27/596009027.db2.gz XXSUVYOASCLGFM-AWEZNQCLSA-N 1 3 347.463 1.899 20 0 EDADHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606862 596032203 /nfs/dbraw/zinc/03/22/03/596032203.db2.gz PNSWUWXIOPANBA-YJBOKZPZSA-N 1 3 346.475 1.654 20 0 EDADHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856606862 596032206 /nfs/dbraw/zinc/03/22/06/596032206.db2.gz PNSWUWXIOPANBA-YJBOKZPZSA-N 1 3 346.475 1.654 20 0 EDADHO CC[C@H](C(=O)N1CC[C@@H](Oc2ccnc(CN(C)CC)c2)C1)[NH+](C)C ZINC000856630502 596040231 /nfs/dbraw/zinc/04/02/31/596040231.db2.gz GGYVOGDZGIUADP-QZTJIDSGSA-N 1 3 348.491 1.853 20 0 EDADHO Cc1[nH]c(C(=O)N(CCCN(C)C)CCC[NH+](C)C)c(C)c1C=O ZINC000859352009 596060393 /nfs/dbraw/zinc/06/03/93/596060393.db2.gz LYDUJXSHINTOCJ-UHFFFAOYSA-N 1 3 336.480 1.790 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000861702424 596073374 /nfs/dbraw/zinc/07/33/74/596073374.db2.gz NVKQWTTUUAJBMB-KVSKMBFKSA-N 1 3 346.475 1.015 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccccc1 ZINC000866723540 596310345 /nfs/dbraw/zinc/31/03/45/596310345.db2.gz FJGHOUUVNIQIRQ-OKZBNKHCSA-N 1 3 330.476 1.232 20 0 EDADHO CN(C)CCCS(=O)(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000866767259 596331854 /nfs/dbraw/zinc/33/18/54/596331854.db2.gz NYVNXCNRMOXOED-UHFFFAOYSA-N 1 3 343.493 1.345 20 0 EDADHO CCN(CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868230208 596736694 /nfs/dbraw/zinc/73/66/94/596736694.db2.gz VUXNLQYZGGPABF-JKSUJKDBSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)C1(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC1 ZINC000868235182 596739468 /nfs/dbraw/zinc/73/94/68/596739468.db2.gz OWHOMTWFYOMWFZ-LSDHHAIUSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)C(=O)c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000866041049 596770089 /nfs/dbraw/zinc/77/00/89/596770089.db2.gz MMJPWVJBDATHES-HUUCEWRRSA-N 1 3 335.423 1.206 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868305598 596780114 /nfs/dbraw/zinc/78/01/14/596780114.db2.gz BYHVQLHUVWZSHF-ACHSLPGTSA-N 1 3 344.459 1.334 20 0 EDADHO COC(=O)CCNC(=O)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157026 596815894 /nfs/dbraw/zinc/81/58/94/596815894.db2.gz MZSUDBFNBIXRFL-HOCLYGCPSA-N 1 3 339.480 1.285 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000872256210 596856435 /nfs/dbraw/zinc/85/64/35/596856435.db2.gz QTGUJAIRPPFPQM-JSSFPYSZSA-N 1 3 343.427 1.420 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875609297 596917931 /nfs/dbraw/zinc/91/79/31/596917931.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 1 3 328.501 1.251 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875609297 596917933 /nfs/dbraw/zinc/91/79/33/596917933.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 1 3 328.501 1.251 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccccc1 ZINC000874431978 597075728 /nfs/dbraw/zinc/07/57/28/597075728.db2.gz DYBJAYRSWUUUOZ-RCCFBDPRSA-N 1 3 330.476 1.695 20 0 EDADHO [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000874432837 597076712 /nfs/dbraw/zinc/07/67/12/597076712.db2.gz RTSPWIKTOFYUPB-LRYGQEGESA-N 1 3 328.460 1.926 20 0 EDADHO CC(C)[C@@H](C[NH3+])CN1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000873212322 597229769 /nfs/dbraw/zinc/22/97/69/597229769.db2.gz IYUVUJOEAMXBGY-KRWDZBQOSA-N 1 3 347.507 1.724 20 0 EDADHO CC(=O)Nc1cccc2c1C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873217943 597231164 /nfs/dbraw/zinc/23/11/64/597231164.db2.gz VKMNUJUAQYBYCJ-OAHLLOKOSA-N 1 3 344.459 1.200 20 0 EDADHO CC(=O)Nc1cccc2c1C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000873217943 597231166 /nfs/dbraw/zinc/23/11/66/597231166.db2.gz VKMNUJUAQYBYCJ-OAHLLOKOSA-N 1 3 344.459 1.200 20 0 EDADHO COC[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C1CCOCC1 ZINC000873245401 597238166 /nfs/dbraw/zinc/23/81/66/597238166.db2.gz ZWAYXSSZHVHECU-GOSISDBHSA-N 1 3 345.447 1.257 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876777815 597336868 /nfs/dbraw/zinc/33/68/68/597336868.db2.gz UEZOCGQYAUYQLM-CRAIPNDOSA-N 1 3 349.450 1.207 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841012 597355698 /nfs/dbraw/zinc/35/56/98/597355698.db2.gz IQZZHLKGIBGQRQ-HKUYNNGSSA-N 1 3 330.476 1.048 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000875296190 597373680 /nfs/dbraw/zinc/37/36/80/597373680.db2.gz UHURYLMQFQCQQQ-INIZCTEOSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876942551 597391787 /nfs/dbraw/zinc/39/17/87/597391787.db2.gz ZFGGEATXQNXGCJ-HNNXBMFYSA-N 1 3 347.507 1.996 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876942551 597391790 /nfs/dbraw/zinc/39/17/90/597391790.db2.gz ZFGGEATXQNXGCJ-HNNXBMFYSA-N 1 3 347.507 1.996 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877342417 597496190 /nfs/dbraw/zinc/49/61/90/597496190.db2.gz BLLNXLUHKDVTRU-HXUWFJFHSA-N 1 3 335.451 1.819 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1(C)C ZINC000877361472 597501182 /nfs/dbraw/zinc/50/11/82/597501182.db2.gz UOOVRNLISOXAGX-OXIWPEFWSA-N 1 3 337.386 1.115 20 0 EDADHO COCCN(Cc1ccc2oc(=O)n(C)c2c1)CC1CC[NH+](C)CC1 ZINC000877664193 597546036 /nfs/dbraw/zinc/54/60/36/597546036.db2.gz MONPAYAOSVDJBF-UHFFFAOYSA-N 1 3 347.459 1.922 20 0 EDADHO C[NH+](C)C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@H]1C[NH+](C)C ZINC000877669805 597546594 /nfs/dbraw/zinc/54/65/94/597546594.db2.gz AATZKQHHZXLKGK-CHWSQXEVSA-N 1 3 327.419 1.842 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415871 597739319 /nfs/dbraw/zinc/73/93/19/597739319.db2.gz HEXVPIUMXAHOGP-HOTGVXAUSA-N 1 3 336.480 1.166 20 0 EDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883441955 597748587 /nfs/dbraw/zinc/74/85/87/597748587.db2.gz BDJMZUTYUJGIDJ-IRXDYDNUSA-N 1 3 346.475 1.567 20 0 EDADHO CCOC(=O)c1sc([C@H]2CCN(CCOCC[NH3+])C2)nc1C ZINC000883448665 597750767 /nfs/dbraw/zinc/75/07/67/597750767.db2.gz MSGFNPVNMJRHIX-LBPRGKRZSA-N 1 3 327.450 1.393 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[C@H]3OC)CC2)CC1 ZINC000889331122 597936510 /nfs/dbraw/zinc/93/65/10/597936510.db2.gz ITDCCXJCDVRMLP-QZTJIDSGSA-N 1 3 337.508 1.819 20 0 EDADHO COCC[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223725 598035329 /nfs/dbraw/zinc/03/53/29/598035329.db2.gz XRBRJHIFCBMZHR-ATLSCFEFSA-N 1 3 333.476 1.623 20 0 EDADHO COCC[C@@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223725 598035333 /nfs/dbraw/zinc/03/53/33/598035333.db2.gz XRBRJHIFCBMZHR-ATLSCFEFSA-N 1 3 333.476 1.623 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000884414648 598097866 /nfs/dbraw/zinc/09/78/66/598097866.db2.gz YEAJJUUXDCYOTB-KRWDZBQOSA-N 1 3 347.459 1.268 20 0 EDADHO CC(C)(CNS(=O)(=O)C[C@@]12CCN(C1)CCC2)C[NH+]1CCCC1 ZINC000914429192 695403494 /nfs/dbraw/zinc/40/34/94/695403494.db2.gz LPHMLODBYFXQNK-KRWDZBQOSA-N 1 3 343.537 1.514 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211250 696583504 /nfs/dbraw/zinc/58/35/04/696583504.db2.gz YHHAQYKGRAHSSH-MAUKXSAKSA-N 1 3 337.508 1.724 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489176 696931273 /nfs/dbraw/zinc/93/12/73/696931273.db2.gz TXFSSSZCJNMVNY-CRAIPNDOSA-N 1 3 333.476 1.977 20 0 EDADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C[C@H]1CCOC1)CC2)N(C)C ZINC001040853657 697384925 /nfs/dbraw/zinc/38/49/25/697384925.db2.gz VZGYVFPRJGRPQH-SJORKVTESA-N 1 3 337.508 1.678 20 0 EDADHO O=C(CC1CC[NH+](C[C@@H](O)CN2CCCC2)CC1)NC1CCCC1 ZINC000920210988 697408232 /nfs/dbraw/zinc/40/82/32/697408232.db2.gz XOEUVSDQBNTOCJ-SFHVURJKSA-N 1 3 337.508 1.604 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1)OC ZINC001032094326 698590735 /nfs/dbraw/zinc/59/07/35/698590735.db2.gz HGKBCOSIGDZHDF-QGZVFWFLSA-N 1 3 325.497 1.580 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129774 699227249 /nfs/dbraw/zinc/22/72/49/699227249.db2.gz ZHARRKBPPGBUTB-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC000939394102 699544421 /nfs/dbraw/zinc/54/44/21/699544421.db2.gz AOZRTWKQQRFOGO-QAPCUYQASA-N 1 3 347.507 1.397 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939394507 699544801 /nfs/dbraw/zinc/54/48/01/699544801.db2.gz CALBXQDQZKXUNH-WBVHZDCISA-N 1 3 333.480 1.089 20 0 EDADHO Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000940149665 700282843 /nfs/dbraw/zinc/28/28/43/700282843.db2.gz NSLZWCNZSPHXFR-INIZCTEOSA-N 1 3 334.464 1.794 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)nc2)CC1)N(C)C ZINC000940176801 700309714 /nfs/dbraw/zinc/30/97/14/700309714.db2.gz PNZVZPUXCHRARI-MRXNPFEDSA-N 1 3 348.491 1.901 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054502 700416771 /nfs/dbraw/zinc/41/67/71/700416771.db2.gz MCCQDIXDIGZVJW-CVEARBPZSA-N 1 3 347.507 1.669 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC000940329248 700508381 /nfs/dbraw/zinc/50/83/81/700508381.db2.gz SHVHIKMWEXCJNM-ZIAGYGMSSA-N 1 3 336.505 1.812 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(C)(NCc2nccs2)CC1 ZINC000940329248 700508382 /nfs/dbraw/zinc/50/83/82/700508382.db2.gz SHVHIKMWEXCJNM-ZIAGYGMSSA-N 1 3 336.505 1.812 20 0 EDADHO Cn1ccc(CNC2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000940366423 700548058 /nfs/dbraw/zinc/54/80/58/700548058.db2.gz XRROXTVEFATQAB-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1nc(CNC2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000940457604 700661200 /nfs/dbraw/zinc/66/12/00/700661200.db2.gz MOWLJGYCINSGCC-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1nc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000940457604 700661201 /nfs/dbraw/zinc/66/12/01/700661201.db2.gz MOWLJGYCINSGCC-AWEZNQCLSA-N 1 3 336.505 1.874 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457482 700661216 /nfs/dbraw/zinc/66/12/16/700661216.db2.gz HTAOWHYHBRWFSP-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457482 700661217 /nfs/dbraw/zinc/66/12/17/700661217.db2.gz HTAOWHYHBRWFSP-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO Cc1oncc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625698 700787777 /nfs/dbraw/zinc/78/77/77/700787777.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1oncc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940625698 700787778 /nfs/dbraw/zinc/78/77/78/700787778.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1oncc1CN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221543 701412026 /nfs/dbraw/zinc/41/20/26/701412026.db2.gz WVMINWBPNLSYNA-MRXNPFEDSA-N 1 3 334.464 1.796 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236900 701427422 /nfs/dbraw/zinc/42/74/22/701427422.db2.gz CNVZHJFUZMMEMH-MAUKXSAKSA-N 1 3 347.503 1.959 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236900 701427423 /nfs/dbraw/zinc/42/74/23/701427423.db2.gz CNVZHJFUZMMEMH-MAUKXSAKSA-N 1 3 347.503 1.959 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408845 701521288 /nfs/dbraw/zinc/52/12/88/701521288.db2.gz WRGAKGYVQLRRBI-QZTJIDSGSA-N 1 3 348.535 1.489 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408845 701521289 /nfs/dbraw/zinc/52/12/89/701521289.db2.gz WRGAKGYVQLRRBI-QZTJIDSGSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824857 702095857 /nfs/dbraw/zinc/09/58/57/702095857.db2.gz LLKKFHAEQHWGLU-BMFZPTHFSA-N 1 3 333.480 1.087 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995824857 702095863 /nfs/dbraw/zinc/09/58/63/702095863.db2.gz LLKKFHAEQHWGLU-BMFZPTHFSA-N 1 3 333.480 1.087 20 0 EDADHO Cc1ncc(CN[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895617 702199124 /nfs/dbraw/zinc/19/91/24/702199124.db2.gz LWSLJDUIULBUSL-IAGOWNOFSA-N 1 3 345.491 1.452 20 0 EDADHO Cn1cncc1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996249781 702652149 /nfs/dbraw/zinc/65/21/49/702652149.db2.gz RBKAZVZYUGWKCJ-INIZCTEOSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302610 702694857 /nfs/dbraw/zinc/69/48/57/702694857.db2.gz XWQSVXVFUSTJJE-RDJZCZTQSA-N 1 3 337.508 1.581 20 0 EDADHO Cc1nc(CC[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cs1 ZINC000996353911 702731952 /nfs/dbraw/zinc/73/19/52/702731952.db2.gz FENZXZGKRXRBQS-HNNXBMFYSA-N 1 3 347.488 1.786 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC000996477784 702809720 /nfs/dbraw/zinc/80/97/20/702809720.db2.gz OSKVNNLTAZNAGK-YJBOKZPZSA-N 1 3 345.491 1.375 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)n1 ZINC000996477784 702809723 /nfs/dbraw/zinc/80/97/23/702809723.db2.gz OSKVNNLTAZNAGK-YJBOKZPZSA-N 1 3 345.491 1.375 20 0 EDADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000996618344 702924739 /nfs/dbraw/zinc/92/47/39/702924739.db2.gz FLFWVMOXAMRKJI-MSOLQXFVSA-N 1 3 349.519 1.866 20 0 EDADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000996618358 702925133 /nfs/dbraw/zinc/92/51/33/702925133.db2.gz FLFWVMOXAMRKJI-ZWKOTPCHSA-N 1 3 349.519 1.866 20 0 EDADHO Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996674355 702969625 /nfs/dbraw/zinc/96/96/25/702969625.db2.gz CASPDFPMUZJKPI-HNNXBMFYSA-N 1 3 337.493 1.267 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)cn1 ZINC000996720737 703014359 /nfs/dbraw/zinc/01/43/59/703014359.db2.gz FHKFLOHAQIQAFQ-YJBOKZPZSA-N 1 3 345.491 1.911 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)on1 ZINC000996867454 703140363 /nfs/dbraw/zinc/14/03/63/703140363.db2.gz IQGLTOPTNSNZIF-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922137 703193074 /nfs/dbraw/zinc/19/30/74/703193074.db2.gz MRFIZSQKZDLNHJ-HOTGVXAUSA-N 1 3 347.507 1.714 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922137 703193076 /nfs/dbraw/zinc/19/30/76/703193076.db2.gz MRFIZSQKZDLNHJ-HOTGVXAUSA-N 1 3 347.507 1.714 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000996997739 703254641 /nfs/dbraw/zinc/25/46/41/703254641.db2.gz GFDCBIQMDOMCBH-HZPDHXFCSA-N 1 3 345.491 1.911 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1C ZINC000997007064 703264386 /nfs/dbraw/zinc/26/43/86/703264386.db2.gz OHFRPPCQYAWZAT-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)nn1C ZINC000997007064 703264388 /nfs/dbraw/zinc/26/43/88/703264388.db2.gz OHFRPPCQYAWZAT-UHFFFAOYSA-N 1 3 347.507 1.541 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)C1 ZINC000997298342 703556326 /nfs/dbraw/zinc/55/63/26/703556326.db2.gz IOZWCFPGMPRDRL-CQSZACIVSA-N 1 3 336.867 1.767 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3ccncc3Cl)CC2)C1 ZINC000997298342 703556328 /nfs/dbraw/zinc/55/63/28/703556328.db2.gz IOZWCFPGMPRDRL-CQSZACIVSA-N 1 3 336.867 1.767 20 0 EDADHO Cc1ncsc1CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307026 703565410 /nfs/dbraw/zinc/56/54/10/703565410.db2.gz LPPPLTFXBLEIOZ-UHFFFAOYSA-N 1 3 336.505 1.670 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(NCc2cnns2)CC1 ZINC000997359207 703589802 /nfs/dbraw/zinc/58/98/02/703589802.db2.gz GTZYCFUBUHFFQH-BETUJISGSA-N 1 3 337.493 1.492 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(NCc2cnns2)CC1 ZINC000997359207 703589803 /nfs/dbraw/zinc/58/98/03/703589803.db2.gz GTZYCFUBUHFFQH-BETUJISGSA-N 1 3 337.493 1.492 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000997364422 703597756 /nfs/dbraw/zinc/59/77/56/703597756.db2.gz MUOGBOCCTOPYFP-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997366596 703600435 /nfs/dbraw/zinc/60/04/35/703600435.db2.gz HGTDZAXKTVXCMX-QGZVFWFLSA-N 1 3 333.480 1.338 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082678 704139876 /nfs/dbraw/zinc/13/98/76/704139876.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO COCCN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082678 704139878 /nfs/dbraw/zinc/13/98/78/704139878.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 1 3 337.508 1.820 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H]2CNC(=O)C2)CC1 ZINC000922782169 704335446 /nfs/dbraw/zinc/33/54/46/704335446.db2.gz XHQHVAZXSAAHRT-KRWDZBQOSA-N 1 3 344.503 1.834 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1)N(C)C ZINC001004463554 704451420 /nfs/dbraw/zinc/45/14/20/704451420.db2.gz LRMGNFGFCJBVQC-IRXDYDNUSA-N 1 3 325.497 1.268 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1)N(C)C ZINC001004463554 704451421 /nfs/dbraw/zinc/45/14/21/704451421.db2.gz LRMGNFGFCJBVQC-IRXDYDNUSA-N 1 3 325.497 1.268 20 0 EDADHO C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)O1 ZINC000997822480 704742136 /nfs/dbraw/zinc/74/21/36/704742136.db2.gz FECRYGWPZOYYPB-NVXWUHKLSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)CCC1 ZINC000997824769 704744452 /nfs/dbraw/zinc/74/44/52/704744452.db2.gz VGJSJSGCCYNPQV-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnc(C)nc2)CC1)N(C)C ZINC000997855584 704764202 /nfs/dbraw/zinc/76/42/02/704764202.db2.gz NROHVYCDIIQFBB-QGZVFWFLSA-N 1 3 333.480 1.453 20 0 EDADHO CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000997864374 704771018 /nfs/dbraw/zinc/77/10/18/704771018.db2.gz GHFQNQDOUXSEBZ-KRWDZBQOSA-N 1 3 347.507 1.716 20 0 EDADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCN(Cc2ccccn2)CC1 ZINC000997860920 704771841 /nfs/dbraw/zinc/77/18/41/704771841.db2.gz OCXCYTCEEVPJDS-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(Cc2ccccn2)CC1 ZINC000997860920 704771842 /nfs/dbraw/zinc/77/18/42/704771842.db2.gz OCXCYTCEEVPJDS-RDJZCZTQSA-N 1 3 330.476 1.750 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950261 705076923 /nfs/dbraw/zinc/07/69/23/705076923.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 1 3 347.507 1.680 20 0 EDADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000997950261 705076927 /nfs/dbraw/zinc/07/69/27/705076927.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 1 3 347.507 1.680 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998077306 705297809 /nfs/dbraw/zinc/29/78/09/705297809.db2.gz DGBZJGQBEQFHGD-XJKSGUPXSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1ncoc1CNCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998077306 705297811 /nfs/dbraw/zinc/29/78/11/705297811.db2.gz DGBZJGQBEQFHGD-XJKSGUPXSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1nocc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998081574 705302423 /nfs/dbraw/zinc/30/24/23/705302423.db2.gz JVGFVBLSWUYWOY-AWEZNQCLSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268463 705644346 /nfs/dbraw/zinc/64/43/46/705644346.db2.gz GHKNXEGHMHLWKO-UHFFFAOYSA-N 1 3 330.476 1.814 20 0 EDADHO Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998548291 705983244 /nfs/dbraw/zinc/98/32/44/705983244.db2.gz FZURRRJSXPXLFX-YMAMQOFZSA-N 1 3 336.505 1.667 20 0 EDADHO CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000998548926 705984693 /nfs/dbraw/zinc/98/46/93/705984693.db2.gz IQAZQRWMKJRWOD-JCYILVPMSA-N 1 3 346.475 1.654 20 0 EDADHO CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998550754 705987573 /nfs/dbraw/zinc/98/75/73/705987573.db2.gz PFNUQXDPVYAWKE-XUJLQICISA-N 1 3 334.464 1.719 20 0 EDADHO Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC000998996300 706413832 /nfs/dbraw/zinc/41/38/32/706413832.db2.gz ZAOVBZUPONHZBJ-HTWSVDAQSA-N 1 3 330.476 1.953 20 0 EDADHO Cc1nocc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518149 706550899 /nfs/dbraw/zinc/55/08/99/706550899.db2.gz OQERZOIVNGLGGD-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1nocc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518149 706550903 /nfs/dbraw/zinc/55/09/03/706550903.db2.gz OQERZOIVNGLGGD-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999374821 706869264 /nfs/dbraw/zinc/86/92/64/706869264.db2.gz SCBSYZQKSWEZNM-MSOLQXFVSA-N 1 3 330.476 1.811 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376384 706870870 /nfs/dbraw/zinc/87/08/70/706870870.db2.gz WBEBXYROGXAZIP-IRXDYDNUSA-N 1 3 331.464 1.206 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999406624 706916184 /nfs/dbraw/zinc/91/61/84/706916184.db2.gz OQFZEWALANXXGB-MNNVXMFVSA-N 1 3 345.487 1.742 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409134 706918883 /nfs/dbraw/zinc/91/88/83/706918883.db2.gz ORVMEQOJOHKLOP-LRVUVFPRSA-N 1 3 329.435 1.953 20 0 EDADHO Cc1ncc(CNC2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000999509267 707006633 /nfs/dbraw/zinc/00/66/33/707006633.db2.gz PGCQBHDGYQHNSF-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1)N(C)C ZINC000999490034 707026136 /nfs/dbraw/zinc/02/61/36/707026136.db2.gz NTEOQACANXEWQZ-LSDHHAIUSA-N 1 3 341.887 1.457 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279712 707348054 /nfs/dbraw/zinc/34/80/54/707348054.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 1 3 347.503 1.573 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033279712 707348058 /nfs/dbraw/zinc/34/80/58/707348058.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 1 3 347.503 1.573 20 0 EDADHO COc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999836929 707472990 /nfs/dbraw/zinc/47/29/90/707472990.db2.gz MFENHZAXACZPGM-PNESKVBLSA-N 1 3 338.477 1.182 20 0 EDADHO COc1cc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)sn1 ZINC000999836929 707472994 /nfs/dbraw/zinc/47/29/94/707472994.db2.gz MFENHZAXACZPGM-PNESKVBLSA-N 1 3 338.477 1.182 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC001000113059 707704484 /nfs/dbraw/zinc/70/44/84/707704484.db2.gz PBJKDQDSMUCSSF-ZWKOTPCHSA-N 1 3 339.524 1.970 20 0 EDADHO Cc1oncc1CN[C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982080 707860957 /nfs/dbraw/zinc/86/09/57/707860957.db2.gz OSSZDNIJGPCJLL-PBHICJAKSA-N 1 3 346.475 1.938 20 0 EDADHO CC(C)[NH+]1CCC(C2(NC(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213933 707876264 /nfs/dbraw/zinc/87/62/64/707876264.db2.gz KXUDXEVFBYLFSV-URSIVYNOSA-N 1 3 347.503 1.619 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033686570 708500971 /nfs/dbraw/zinc/50/09/71/708500971.db2.gz QXAFCMCEVJVKRA-SJLPKXTDSA-N 1 3 345.487 1.931 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033686570 708500975 /nfs/dbraw/zinc/50/09/75/708500975.db2.gz QXAFCMCEVJVKRA-SJLPKXTDSA-N 1 3 345.487 1.931 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033833124 708857325 /nfs/dbraw/zinc/85/73/25/708857325.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CCc2ccnn2C)C1 ZINC001033833124 708857328 /nfs/dbraw/zinc/85/73/28/708857328.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 1 3 347.507 1.226 20 0 EDADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(CCCO)C1 ZINC001034007146 709249156 /nfs/dbraw/zinc/24/91/56/709249156.db2.gz JBEYNXZKWYONQL-QGZVFWFLSA-N 1 3 325.497 1.412 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001034046271 709299535 /nfs/dbraw/zinc/29/95/35/709299535.db2.gz RFGCVLULTBCDAY-SFHVURJKSA-N 1 3 333.476 1.667 20 0 EDADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001034046271 709299538 /nfs/dbraw/zinc/29/95/38/709299538.db2.gz RFGCVLULTBCDAY-SFHVURJKSA-N 1 3 333.476 1.667 20 0 EDADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282435 /nfs/dbraw/zinc/28/24/35/710282435.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 1 3 349.450 1.534 20 0 EDADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282439 /nfs/dbraw/zinc/28/24/39/710282439.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 1 3 349.450 1.534 20 0 EDADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282442 /nfs/dbraw/zinc/28/24/42/710282442.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 1 3 349.450 1.534 20 0 EDADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032839776 710282443 /nfs/dbraw/zinc/28/24/43/710282443.db2.gz ZNHWJMRLRYCYDU-FGTMMUONSA-N 1 3 349.450 1.534 20 0 EDADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734069 710915416 /nfs/dbraw/zinc/91/54/16/710915416.db2.gz JDBLXNSFSQDAIT-XMTFNYHQSA-N 1 3 337.508 1.772 20 0 EDADHO Cc1cnc(CN[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001034778801 711082736 /nfs/dbraw/zinc/08/27/36/711082736.db2.gz ZUXZIONTSRAQEV-WKILWMFISA-N 1 3 343.475 1.398 20 0 EDADHO Cc1nc(C)c(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034793349 711123014 /nfs/dbraw/zinc/12/30/14/711123014.db2.gz XUPLENAEHGZVDU-JYJNAYRXSA-N 1 3 334.464 1.760 20 0 EDADHO Cc1nc(C)c(CN[C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034793349 711123016 /nfs/dbraw/zinc/12/30/16/711123016.db2.gz XUPLENAEHGZVDU-JYJNAYRXSA-N 1 3 334.464 1.760 20 0 EDADHO Cc1nc(C)c(CN2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003981112 711163539 /nfs/dbraw/zinc/16/35/39/711163539.db2.gz ZIIWLLBZKAAGHS-UHFFFAOYSA-N 1 3 348.516 1.936 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC001034959600 711434751 /nfs/dbraw/zinc/43/47/51/711434751.db2.gz DWBNGHHUPTYWEU-RTBURBONSA-N 1 3 345.487 1.600 20 0 EDADHO CN(C)c1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004142082 711542113 /nfs/dbraw/zinc/54/21/13/711542113.db2.gz HCDMZJIQDMKDQQ-QGZVFWFLSA-N 1 3 344.503 1.785 20 0 EDADHO CN(C)c1cccc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004142082 711542116 /nfs/dbraw/zinc/54/21/16/711542116.db2.gz HCDMZJIQDMKDQQ-QGZVFWFLSA-N 1 3 344.503 1.785 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001004617512 712077425 /nfs/dbraw/zinc/07/74/25/712077425.db2.gz QVGJEVCHTXEVAQ-PKOBYXMFSA-N 1 3 349.519 1.822 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2C[C@@H]2CCOC2)CC1 ZINC001004617512 712077427 /nfs/dbraw/zinc/07/74/27/712077427.db2.gz QVGJEVCHTXEVAQ-PKOBYXMFSA-N 1 3 349.519 1.822 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccn1 ZINC000359900936 282109712 /nfs/dbraw/zinc/10/97/12/282109712.db2.gz QVBJIFNAQCRAQZ-SJORKVTESA-N 1 3 346.475 1.721 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)ccn1 ZINC000359900936 282109713 /nfs/dbraw/zinc/10/97/13/282109713.db2.gz QVBJIFNAQCRAQZ-SJORKVTESA-N 1 3 346.475 1.721 20 0 EDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CCN(C2CC2)CC1 ZINC000365136264 282212742 /nfs/dbraw/zinc/21/27/42/282212742.db2.gz JYDCMJNGLMLASY-KURKYZTESA-N 1 3 335.492 1.571 20 0 EDADHO COCCC1(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649306849 451983005 /nfs/dbraw/zinc/98/30/05/451983005.db2.gz TVUCZLRZHGBDNT-CVEARBPZSA-N 1 3 325.497 1.629 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000560315373 306264108 /nfs/dbraw/zinc/26/41/08/306264108.db2.gz SKPWKGPKCQJNNT-OAHLLOKOSA-N 1 3 340.512 1.166 20 0 EDADHO CNC(=O)COc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000560556982 306274417 /nfs/dbraw/zinc/27/44/17/306274417.db2.gz HXKPAMDHFIJRSX-UHFFFAOYSA-N 1 3 331.460 1.775 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000342765988 291048339 /nfs/dbraw/zinc/04/83/39/291048339.db2.gz RJDAGEDPYCWDGV-PMPSAXMXSA-N 1 3 339.480 1.380 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000342765988 291048342 /nfs/dbraw/zinc/04/83/42/291048342.db2.gz RJDAGEDPYCWDGV-PMPSAXMXSA-N 1 3 339.480 1.380 20 0 EDADHO c1cnc(N2CCN(CCCN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114529 540075647 /nfs/dbraw/zinc/07/56/47/540075647.db2.gz DMAYSUGEVZDANV-QZTJIDSGSA-N 1 3 344.507 1.205 20 0 EDADHO c1cnc(N2CCN(CCCN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166114529 540075649 /nfs/dbraw/zinc/07/56/49/540075649.db2.gz DMAYSUGEVZDANV-QZTJIDSGSA-N 1 3 344.507 1.205 20 0 EDADHO COC(=O)CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000050032203 138130593 /nfs/dbraw/zinc/13/05/93/138130593.db2.gz MJMCVHUVPGWNEM-UHFFFAOYSA-N 1 3 339.480 1.251 20 0 EDADHO O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000090231562 138278242 /nfs/dbraw/zinc/27/82/42/138278242.db2.gz XDOYAXAPARLVOT-CABCVRRESA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090231562 138278243 /nfs/dbraw/zinc/27/82/43/138278243.db2.gz XDOYAXAPARLVOT-CABCVRRESA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090231562 138278244 /nfs/dbraw/zinc/27/82/44/138278244.db2.gz XDOYAXAPARLVOT-CABCVRRESA-N 1 3 327.494 1.159 20 0 EDADHO O=c1c2ccccc2ncn1CCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563668487 306344425 /nfs/dbraw/zinc/34/44/25/306344425.db2.gz ACDQHDCDBLVGST-KRWDZBQOSA-N 1 3 326.444 1.861 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000249073324 535440539 /nfs/dbraw/zinc/44/05/39/535440539.db2.gz MDXAETDLYGOOCG-IIDMSEBBSA-N 1 3 325.497 1.756 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1(C)C ZINC000249073324 535440544 /nfs/dbraw/zinc/44/05/44/535440544.db2.gz MDXAETDLYGOOCG-IIDMSEBBSA-N 1 3 325.497 1.756 20 0 EDADHO N[C@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020277 306396863 /nfs/dbraw/zinc/39/68/63/306396863.db2.gz KTONQMUSIDLDQX-ZWKOTPCHSA-N 1 3 344.503 1.975 20 0 EDADHO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000566059371 306397174 /nfs/dbraw/zinc/39/71/74/306397174.db2.gz UYWPRHYWZIHZKM-CVEARBPZSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414478658 304117813 /nfs/dbraw/zinc/11/78/13/304117813.db2.gz FOZXFCCXVPGLKX-KRWDZBQOSA-N 1 3 347.503 1.709 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000414701698 304129937 /nfs/dbraw/zinc/12/99/37/304129937.db2.gz KOOVEBYSVMEATK-GJZGRUSLSA-N 1 3 346.475 1.724 20 0 EDADHO C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707549 304130877 /nfs/dbraw/zinc/13/08/77/304130877.db2.gz PUMMRTQLGWZUDW-CYBMUJFWSA-N 1 3 330.432 1.219 20 0 EDADHO COc1cccc(C(=O)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734365 304134595 /nfs/dbraw/zinc/13/45/95/304134595.db2.gz KVQKVZDEWGOQPS-CVEARBPZSA-N 1 3 331.460 1.841 20 0 EDADHO Cc1ccc(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cn1 ZINC000414739028 304135240 /nfs/dbraw/zinc/13/52/40/304135240.db2.gz IRBNTUIJSMAEOX-MRXNPFEDSA-N 1 3 330.476 1.767 20 0 EDADHO COCCC(=O)N1CCC(N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415078565 304158215 /nfs/dbraw/zinc/15/82/15/304158215.db2.gz IWTCPWPWLVRJEG-RDJZCZTQSA-N 1 3 325.497 1.914 20 0 EDADHO C[NH+]1CCC(CNCc2ccc(F)cc2F)(N2CCOCC2)CC1 ZINC000567220394 306442505 /nfs/dbraw/zinc/44/25/05/306442505.db2.gz OHUAAKLNDHFPAK-UHFFFAOYSA-N 1 3 339.430 1.851 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC23CCN(C)CC3)cc1 ZINC000415148175 304165200 /nfs/dbraw/zinc/16/52/00/304165200.db2.gz KNTHHKAEOQOWFT-CQSZACIVSA-N 1 3 344.459 1.732 20 0 EDADHO COc1ccc(CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000195519178 139019510 /nfs/dbraw/zinc/01/95/10/139019510.db2.gz AGMHDCJHMUHSOY-UHFFFAOYSA-N 1 3 333.476 1.628 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C[NH3+])CC(C)C)CC2)c1 ZINC000236621553 139027170 /nfs/dbraw/zinc/02/71/70/139027170.db2.gz DPAOBIXSZXOLCK-SFHVURJKSA-N 1 3 346.519 1.997 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)N1CCC(C)CC1 ZINC000236647921 139027504 /nfs/dbraw/zinc/02/75/04/139027504.db2.gz GJZJTPCNDDVCIO-AWEZNQCLSA-N 1 3 334.468 1.053 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000415158882 304167647 /nfs/dbraw/zinc/16/76/47/304167647.db2.gz ZYOCTTSKCXMECJ-UHFFFAOYSA-N 1 3 344.459 1.431 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237399971 139050146 /nfs/dbraw/zinc/05/01/46/139050146.db2.gz GIEQSCLPEKMWRW-MDZRGWNJSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237665444 139057442 /nfs/dbraw/zinc/05/74/42/139057442.db2.gz MVDBUYIEIBTSCH-HOTGVXAUSA-N 1 3 325.497 1.772 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000111806045 220194590 /nfs/dbraw/zinc/19/45/90/220194590.db2.gz RJHQTWMGFYUSIL-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NC1CCN(CCc2ccncc2)CC1 ZINC000238134408 139069554 /nfs/dbraw/zinc/06/95/54/139069554.db2.gz ARIXTIFIEUNRAQ-UHFFFAOYSA-N 1 3 330.476 1.594 20 0 EDADHO CN1CCN(CC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567910435 306466336 /nfs/dbraw/zinc/46/63/36/306466336.db2.gz WRNCGAMFUSGLGN-ROUUACIJSA-N 1 3 336.524 1.380 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248649151 139170186 /nfs/dbraw/zinc/17/01/86/139170186.db2.gz UINYPSWUTZETKQ-WDSOQIARSA-N 1 3 342.487 1.638 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000415433290 304219301 /nfs/dbraw/zinc/21/93/01/304219301.db2.gz AKPWIFPOWDELDF-RHSMWYFYSA-N 1 3 346.475 1.663 20 0 EDADHO CCCOc1ccc(OCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636529 139213289 /nfs/dbraw/zinc/21/32/89/139213289.db2.gz HYRWYGIVSUQLCW-KRWDZBQOSA-N 1 3 333.476 1.834 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)N2CCCC2)cc1 ZINC000261680590 139217021 /nfs/dbraw/zinc/21/70/21/139217021.db2.gz GVVYTMOMDNGOHP-SQNIBIBYSA-N 1 3 331.460 1.754 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664019 139215471 /nfs/dbraw/zinc/21/54/71/139215471.db2.gz KYINZRWRMPTMOT-CYBMUJFWSA-N 1 3 345.365 1.872 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664021 139215502 /nfs/dbraw/zinc/21/55/02/139215502.db2.gz KYINZRWRMPTMOT-ZDUSSCGKSA-N 1 3 345.365 1.872 20 0 EDADHO Cc1nn(C)c(C)c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261781242 139225592 /nfs/dbraw/zinc/22/55/92/139225592.db2.gz XXHHCYJDYACABJ-WBVHZDCISA-N 1 3 333.480 1.117 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867646 139232654 /nfs/dbraw/zinc/23/26/54/139232654.db2.gz QGLITEJLAWVVMH-GOSISDBHSA-N 1 3 344.503 1.440 20 0 EDADHO O=C(CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NCCc1ccccc1 ZINC000261964455 139240304 /nfs/dbraw/zinc/24/03/04/139240304.db2.gz PXUSCWKMWAYFDK-KZNAEPCWSA-N 1 3 331.460 1.092 20 0 EDADHO CC(C)CN(CCN(C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415967487 251039712 /nfs/dbraw/zinc/03/97/12/251039712.db2.gz WRKIZGWIUAJMDS-OAHLLOKOSA-N 1 3 333.480 1.949 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416029527 251048944 /nfs/dbraw/zinc/04/89/44/251048944.db2.gz OUXQGSCDRYXCDF-HNNXBMFYSA-N 1 3 349.479 1.042 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994987 251044610 /nfs/dbraw/zinc/04/46/10/251044610.db2.gz MKVFTZUPBZEJKF-KBPBESRZSA-N 1 3 346.397 1.738 20 0 EDADHO CN(CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416877879 251115349 /nfs/dbraw/zinc/11/53/49/251115349.db2.gz VEYAYHURQGMPHB-KRWDZBQOSA-N 1 3 334.464 1.186 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417024776 251139469 /nfs/dbraw/zinc/13/94/69/251139469.db2.gz MPIXDIISIMHBOF-JKSUJKDBSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000417024776 251139472 /nfs/dbraw/zinc/13/94/72/251139472.db2.gz MPIXDIISIMHBOF-JKSUJKDBSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)N1CCC(C)CC1 ZINC000417314302 251156667 /nfs/dbraw/zinc/15/66/67/251156667.db2.gz QVZHPHZYFXDPEB-QGZVFWFLSA-N 1 3 347.507 1.981 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417551173 251186563 /nfs/dbraw/zinc/18/65/63/251186563.db2.gz YQQFHPXDJPBZDB-UHFFFAOYSA-N 1 3 338.496 1.485 20 0 EDADHO COCCCN1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417443261 251175711 /nfs/dbraw/zinc/17/57/11/251175711.db2.gz XULMRRVHJDMFIG-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417568825 251190576 /nfs/dbraw/zinc/19/05/76/251190576.db2.gz PLQUKRUHIRPXJZ-QGZVFWFLSA-N 1 3 334.464 1.268 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417573020 251192452 /nfs/dbraw/zinc/19/24/52/251192452.db2.gz WHPBOKSKGZBPLG-MSOLQXFVSA-N 1 3 348.491 1.877 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000417647080 251212628 /nfs/dbraw/zinc/21/26/28/251212628.db2.gz DYALWVGJSJHMJP-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@@H](N)c1ccccc1 ZINC000262450622 139279967 /nfs/dbraw/zinc/27/99/67/139279967.db2.gz WGSHPCUMEOGMFB-SUMWQHHRSA-N 1 3 340.427 1.650 20 0 EDADHO COC[C@@]1(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000417831477 251288729 /nfs/dbraw/zinc/28/87/29/251288729.db2.gz SLINJEUDPIYWPZ-CQSZACIVSA-N 1 3 331.338 1.729 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000417836224 251292211 /nfs/dbraw/zinc/29/22/11/251292211.db2.gz UUERAPPLCFNRKF-CXAGYDPISA-N 1 3 336.505 1.943 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000417847677 251294996 /nfs/dbraw/zinc/29/49/96/251294996.db2.gz KGFKBUSRNCCIFJ-HNNXBMFYSA-N 1 3 348.491 1.298 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417800049 251274610 /nfs/dbraw/zinc/27/46/10/251274610.db2.gz BVIAFACVPPTHES-QGZVFWFLSA-N 1 3 342.528 1.891 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417803340 251276213 /nfs/dbraw/zinc/27/62/13/251276213.db2.gz FLSRYDVEXJOWJO-QGZVFWFLSA-N 1 3 340.512 1.693 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417820376 251282437 /nfs/dbraw/zinc/28/24/37/251282437.db2.gz YALRGJMZLTUOOJ-MRXNPFEDSA-N 1 3 340.512 1.707 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992545 251319248 /nfs/dbraw/zinc/31/92/48/251319248.db2.gz WPUINTXULXFZOK-KRWDZBQOSA-N 1 3 347.507 1.101 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426819 251368211 /nfs/dbraw/zinc/36/82/11/251368211.db2.gz KIXKNTFCZPYWSP-WBVHZDCISA-N 1 3 333.480 1.012 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000418156081 251347229 /nfs/dbraw/zinc/34/72/29/251347229.db2.gz ACRXJQLVAOXARN-MRXNPFEDSA-N 1 3 346.475 1.792 20 0 EDADHO CSC1(CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CCN(C)CC1 ZINC000418196738 251354647 /nfs/dbraw/zinc/35/46/47/251354647.db2.gz IEXHXGSCRMVOJA-UONOGXRCSA-N 1 3 328.526 1.440 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)CC1 ZINC000418321835 251360033 /nfs/dbraw/zinc/36/00/33/251360033.db2.gz CRTJNKBEBUAFPC-QGZVFWFLSA-N 1 3 333.480 1.687 20 0 EDADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000418709836 251392152 /nfs/dbraw/zinc/39/21/52/251392152.db2.gz VEFVPZIPYBZOHY-NWDGAFQWSA-N 1 3 328.407 1.774 20 0 EDADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418678078 251383619 /nfs/dbraw/zinc/38/36/19/251383619.db2.gz VSNUTLBVQPRVJT-PIIMJCKOSA-N 1 3 328.460 1.510 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262629310 139291196 /nfs/dbraw/zinc/29/11/96/139291196.db2.gz DBOATRPQFGGDJS-MOPGFXCFSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262719700 139298859 /nfs/dbraw/zinc/29/88/59/139298859.db2.gz FKFZVGIPXAMLFM-AWEZNQCLSA-N 1 3 332.448 1.578 20 0 EDADHO CCN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422881951 252010617 /nfs/dbraw/zinc/01/06/17/252010617.db2.gz RIYGPDMCAUBYSH-SJLPKXTDSA-N 1 3 331.508 1.701 20 0 EDADHO CN(C)C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423780783 252070798 /nfs/dbraw/zinc/07/07/98/252070798.db2.gz WTIILWJLJHLZAB-MRXNPFEDSA-N 1 3 339.867 1.828 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1(C)C ZINC000424020881 252116056 /nfs/dbraw/zinc/11/60/56/252116056.db2.gz ADMJRKXUZLYFMG-YBKUAAOGSA-N 1 3 349.450 1.611 20 0 EDADHO COc1ccccc1CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300565 252192584 /nfs/dbraw/zinc/19/25/84/252192584.db2.gz WTSOYHSYXCZBRB-HNNXBMFYSA-N 1 3 331.460 1.775 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000424466059 252237464 /nfs/dbraw/zinc/23/74/64/252237464.db2.gz SRMJQTVJYXKASX-IAGOWNOFSA-N 1 3 331.464 1.867 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000424439699 252231416 /nfs/dbraw/zinc/23/14/16/252231416.db2.gz OSODKHXUXPTFPK-HIFRSBDPSA-N 1 3 346.475 1.629 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424470113 252242954 /nfs/dbraw/zinc/24/29/54/252242954.db2.gz AUMPKTLDCAORAF-YTQUADARSA-N 1 3 342.487 1.902 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000137460841 285010603 /nfs/dbraw/zinc/01/06/03/285010603.db2.gz PKSIBYDXMRVMRO-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000137460841 285010605 /nfs/dbraw/zinc/01/06/05/285010605.db2.gz PKSIBYDXMRVMRO-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246953426 285193526 /nfs/dbraw/zinc/19/35/26/285193526.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246953426 285193528 /nfs/dbraw/zinc/19/35/28/285193528.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 1 3 336.524 1.489 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H](C)OC ZINC000341089045 285244336 /nfs/dbraw/zinc/24/43/36/285244336.db2.gz QXUGVXMJCRHANK-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@H](C)OC ZINC000341089045 285244337 /nfs/dbraw/zinc/24/43/37/285244337.db2.gz QXUGVXMJCRHANK-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000487179064 255027713 /nfs/dbraw/zinc/02/77/13/255027713.db2.gz CQDFHWMKDJPVFV-QAPCUYQASA-N 1 3 330.476 1.965 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000487179064 255027714 /nfs/dbraw/zinc/02/77/14/255027714.db2.gz CQDFHWMKDJPVFV-QAPCUYQASA-N 1 3 330.476 1.965 20 0 EDADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)CS1 ZINC000488421672 255043396 /nfs/dbraw/zinc/04/33/96/255043396.db2.gz TUSUUMAQSXMYFX-IAGOWNOFSA-N 1 3 343.581 1.886 20 0 EDADHO O=C1O[C@@]2(CN1CN1CC[C@H](C[NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000496007083 255340595 /nfs/dbraw/zinc/34/05/95/255340595.db2.gz ACKVXMKJJNJPJK-VQIMIIECSA-N 1 3 348.491 1.278 20 0 EDADHO C[C@@H](NCC[C@H](C)[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382805 255389890 /nfs/dbraw/zinc/38/98/90/255389890.db2.gz VLDOHNRXQLKWSY-UXLLHSPISA-N 1 3 335.448 1.739 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CCCCNC3=O)CC2)C[C@@H](C)O1 ZINC000119361638 221303455 /nfs/dbraw/zinc/30/34/55/221303455.db2.gz LFYJTTGMTVNMEH-JFIYKMOQSA-N 1 3 337.508 1.866 20 0 EDADHO O=C(C[C@H]1CNCCO1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000296036752 258012282 /nfs/dbraw/zinc/01/22/82/258012282.db2.gz ARFYJTGNZNZKAB-JKSUJKDBSA-N 1 3 349.500 1.597 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)N(C)C1 ZINC000416240404 304299545 /nfs/dbraw/zinc/29/95/45/304299545.db2.gz JKVUEHRMUKTADT-BZSNNMDCSA-N 1 3 333.476 1.857 20 0 EDADHO CCn1nccc1/C=C/C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000269931573 140020375 /nfs/dbraw/zinc/02/03/75/140020375.db2.gz AXDCVLIUYHKLMW-QZEKMECESA-N 1 3 347.507 1.791 20 0 EDADHO CCn1nccc1/C=C/C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000269931573 140020378 /nfs/dbraw/zinc/02/03/78/140020378.db2.gz AXDCVLIUYHKLMW-QZEKMECESA-N 1 3 347.507 1.791 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCN1C ZINC000333356090 141304718 /nfs/dbraw/zinc/30/47/18/141304718.db2.gz KICZKCHLAQRJMB-HPBDAGMYSA-N 1 3 330.476 1.853 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000345736980 143127176 /nfs/dbraw/zinc/12/71/76/143127176.db2.gz FPPOWQMHPQMNHB-CABCVRRESA-N 1 3 326.485 1.004 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(CCn2ccnc2C)CC1 ZINC000346370599 143197614 /nfs/dbraw/zinc/19/76/14/143197614.db2.gz PPRZKKZYTYJYAB-UHFFFAOYSA-N 1 3 349.523 1.752 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000346382463 143199224 /nfs/dbraw/zinc/19/92/24/143199224.db2.gz VLDRXSDGQSFXKH-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000346382463 143199225 /nfs/dbraw/zinc/19/92/25/143199225.db2.gz VLDRXSDGQSFXKH-ROUUACIJSA-N 1 3 344.503 1.798 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117929 143284498 /nfs/dbraw/zinc/28/44/98/143284498.db2.gz XMPOOZJRMFTLGD-HNNXBMFYSA-N 1 3 345.422 1.298 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C3CNC3)CC2)cc1 ZINC000572832601 306600051 /nfs/dbraw/zinc/60/00/51/306600051.db2.gz MZQAUQQRPLOBTK-CQSZACIVSA-N 1 3 337.489 1.346 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000572881000 306602656 /nfs/dbraw/zinc/60/26/56/306602656.db2.gz XAPSBTPWLIZRNM-ZNMIVQPWSA-N 1 3 348.491 1.474 20 0 EDADHO C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000416843253 304350856 /nfs/dbraw/zinc/35/08/56/304350856.db2.gz OPEPYLKJPVDMOJ-SZMVWBNQSA-N 1 3 332.492 1.847 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000416843810 304350988 /nfs/dbraw/zinc/35/09/88/304350988.db2.gz PIKBUWNRNRGVEF-KSZLIROESA-N 1 3 330.476 1.410 20 0 EDADHO CCN(CC)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416848425 304351808 /nfs/dbraw/zinc/35/18/08/304351808.db2.gz WPXLSGKEZYVVDI-GOSISDBHSA-N 1 3 347.507 1.274 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418764731 286093466 /nfs/dbraw/zinc/09/34/66/286093466.db2.gz JLQAFNJYQQKLRD-IKGGRYGDSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCCN(C)C)cc2)CC[NH2+]1 ZINC000416974638 304358877 /nfs/dbraw/zinc/35/88/77/304358877.db2.gz XPCGFIXTLLUHEM-GDBMZVCRSA-N 1 3 334.464 1.567 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417034002 304363802 /nfs/dbraw/zinc/36/38/02/304363802.db2.gz RPFYFPZKOKPCMR-OALUTQOASA-N 1 3 342.487 1.828 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823055 151162920 /nfs/dbraw/zinc/16/29/20/151162920.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 1 3 341.544 1.432 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000357823055 151162922 /nfs/dbraw/zinc/16/29/22/151162922.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 1 3 341.544 1.432 20 0 EDADHO CC(=O)N1CCC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000358039299 151243673 /nfs/dbraw/zinc/24/36/73/151243673.db2.gz ADAHGWBZASCLLA-UHFFFAOYSA-N 1 3 346.475 1.079 20 0 EDADHO CC[NH+](CC)[C@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000358291614 151327958 /nfs/dbraw/zinc/32/79/58/151327958.db2.gz TZMORXJTWQBUJB-HNNXBMFYSA-N 1 3 342.553 1.940 20 0 EDADHO C[NH2+]C[C@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000417112576 304373245 /nfs/dbraw/zinc/37/32/45/304373245.db2.gz MKPYCEWHOWHBTO-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO Cc1nc2c(cnn2C)c(N2CCN(CCC3CC[NH2+]CC3)CC2)n1 ZINC000359211970 151636763 /nfs/dbraw/zinc/63/67/63/151636763.db2.gz NFFGYKGIMRWBSH-UHFFFAOYSA-N 1 3 343.479 1.183 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000360739040 152178477 /nfs/dbraw/zinc/17/84/77/152178477.db2.gz QZDJCJGUWYYIEE-WBVHZDCISA-N 1 3 340.537 1.694 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCSC1 ZINC000360745764 152182150 /nfs/dbraw/zinc/18/21/50/152182150.db2.gz NDJDNXYILYIISI-NVXWUHKLSA-N 1 3 342.553 1.940 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCSC1 ZINC000360745764 152182151 /nfs/dbraw/zinc/18/21/51/152182151.db2.gz NDJDNXYILYIISI-NVXWUHKLSA-N 1 3 342.553 1.940 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417149425 304377953 /nfs/dbraw/zinc/37/79/53/304377953.db2.gz ILHFVDAUJDRMHA-QGZVFWFLSA-N 1 3 347.507 1.496 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184906 152328459 /nfs/dbraw/zinc/32/84/59/152328459.db2.gz ZOADWPLQRCHOOY-GOEBONIOSA-N 1 3 331.460 1.955 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863375 153079045 /nfs/dbraw/zinc/07/90/45/153079045.db2.gz UGJLQEIYZAFAKI-BEFAXECRSA-N 1 3 342.487 1.893 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000363863375 153079048 /nfs/dbraw/zinc/07/90/48/153079048.db2.gz UGJLQEIYZAFAKI-BEFAXECRSA-N 1 3 342.487 1.893 20 0 EDADHO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)/C=C/C[NH+](C)C ZINC000364717696 153311405 /nfs/dbraw/zinc/31/14/05/153311405.db2.gz QYVREUMXJLTQOT-AWOXUWAMSA-N 1 3 333.480 1.379 20 0 EDADHO COC[C@H](C)[NH2+]CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000367212004 154043309 /nfs/dbraw/zinc/04/33/09/154043309.db2.gz GWPMCBDNTHPTIF-KRWDZBQOSA-N 1 3 333.476 1.654 20 0 EDADHO CN1CCC(NC(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000367222173 154046837 /nfs/dbraw/zinc/04/68/37/154046837.db2.gz ZIJNYKFQJSEMDP-OAHLLOKOSA-N 1 3 334.508 1.987 20 0 EDADHO CN1CCC(NC(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000367222173 154046840 /nfs/dbraw/zinc/04/68/40/154046840.db2.gz ZIJNYKFQJSEMDP-OAHLLOKOSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2OCCN(C)C)CC1 ZINC000417356249 304394424 /nfs/dbraw/zinc/39/44/24/304394424.db2.gz FDAAKTOFRJDGEO-OAHLLOKOSA-N 1 3 348.491 1.896 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000074616377 292335453 /nfs/dbraw/zinc/33/54/53/292335453.db2.gz PJCYQOIOSZWBPT-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000417529680 304403715 /nfs/dbraw/zinc/40/37/15/304403715.db2.gz RCVUNHLDURRAGZ-UHFFFAOYSA-N 1 3 348.491 1.739 20 0 EDADHO [NH3+]C1(C(=O)NC2CCN(CCc3ccncc3)CC2)CCCCC1 ZINC000374483506 157305132 /nfs/dbraw/zinc/30/51/32/157305132.db2.gz SLJOBQUSYYQARM-UHFFFAOYSA-N 1 3 330.476 1.866 20 0 EDADHO COCC[C@@]1(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC[NH2+]C1 ZINC000378200345 158106701 /nfs/dbraw/zinc/10/67/01/158106701.db2.gz BLLDVHRKSWWPKE-TVPLGVNVSA-N 1 3 337.508 1.726 20 0 EDADHO CC(C)CCN1C(=O)C[C@H](N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000378283759 158129281 /nfs/dbraw/zinc/12/92/81/158129281.db2.gz OROZMOZGXNLKKT-SJORKVTESA-N 1 3 335.492 1.824 20 0 EDADHO CCOC(=O)COCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000352365867 162143413 /nfs/dbraw/zinc/14/34/13/162143413.db2.gz XZXHWMVZFXXHKS-ROUUACIJSA-N 1 3 332.444 1.630 20 0 EDADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488336 162208343 /nfs/dbraw/zinc/20/83/43/162208343.db2.gz OXUMGHAYXQSQKG-KRWDZBQOSA-N 1 3 345.491 1.324 20 0 EDADHO CCC(CC)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269083 287319912 /nfs/dbraw/zinc/31/99/12/287319912.db2.gz NUNMHZDANZHMEV-OAHLLOKOSA-N 1 3 326.529 1.638 20 0 EDADHO CCc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000122052795 222004259 /nfs/dbraw/zinc/00/42/59/222004259.db2.gz RXVLZBUMPCGFRA-UHFFFAOYSA-N 1 3 348.495 1.663 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000665762781 452338980 /nfs/dbraw/zinc/33/89/80/452338980.db2.gz PQFVGIBJFIKLJV-WCQYABFASA-N 1 3 338.418 1.899 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000665762781 452338990 /nfs/dbraw/zinc/33/89/90/452338990.db2.gz PQFVGIBJFIKLJV-WCQYABFASA-N 1 3 338.418 1.899 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)CNCCO1)c1ccsc1 ZINC000638065886 452366940 /nfs/dbraw/zinc/36/69/40/452366940.db2.gz ZAHPDEPUXWNGDV-HOCLYGCPSA-N 1 3 325.478 1.626 20 0 EDADHO C[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000237616930 273011273 /nfs/dbraw/zinc/01/12/73/273011273.db2.gz AULKMUFPLCKJLV-PKOBYXMFSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)c1nccn1CCC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365694463 276067949 /nfs/dbraw/zinc/06/79/49/276067949.db2.gz CBBYBPDRBNFEFG-MRXNPFEDSA-N 1 3 347.507 1.681 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C1CCN(C[C@H]2CCCO2)CC1 ZINC000349784489 276096740 /nfs/dbraw/zinc/09/67/40/276096740.db2.gz PZDGANHXHJFJSE-QGZVFWFLSA-N 1 3 325.497 1.726 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000364850239 277611714 /nfs/dbraw/zinc/61/17/14/277611714.db2.gz KCAAMCFLNBLXJU-YRXWBPOGSA-N 1 3 348.535 1.534 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237605005 288156289 /nfs/dbraw/zinc/15/62/89/288156289.db2.gz HSPLCFHGTIPXGK-IYBDPMFKSA-N 1 3 337.508 1.996 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@@H](N)C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692030 279848162 /nfs/dbraw/zinc/84/81/62/279848162.db2.gz HPXYPMWVTIFJSM-SJORKVTESA-N 1 3 325.497 1.613 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1(C)C ZINC000188225717 279887021 /nfs/dbraw/zinc/88/70/21/279887021.db2.gz AUFZCSSZAJXTTR-FCEWJHQRSA-N 1 3 337.508 1.996 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287349480 288216002 /nfs/dbraw/zinc/21/60/02/288216002.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287349480 288216003 /nfs/dbraw/zinc/21/60/03/288216003.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000345708530 288217505 /nfs/dbraw/zinc/21/75/05/288217505.db2.gz JHKIJTVFVITYIU-VHDGCEQUSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000345708530 288217507 /nfs/dbraw/zinc/21/75/07/288217507.db2.gz JHKIJTVFVITYIU-VHDGCEQUSA-N 1 3 325.403 1.996 20 0 EDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287561160 288265861 /nfs/dbraw/zinc/26/58/61/288265861.db2.gz GEWVVGZGIYJVJO-MRXNPFEDSA-N 1 3 342.491 1.944 20 0 EDADHO CN(CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000266861130 282035299 /nfs/dbraw/zinc/03/52/99/282035299.db2.gz SDIMYZDTAQHJJN-UHFFFAOYSA-N 1 3 330.476 1.479 20 0 EDADHO C[C@H](NCc1ccncc1OCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000290050030 288828893 /nfs/dbraw/zinc/82/88/93/288828893.db2.gz BYZJUCSDRDNUQP-HNNXBMFYSA-N 1 3 346.479 1.917 20 0 EDADHO CN(C)C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789034 289060492 /nfs/dbraw/zinc/06/04/92/289060492.db2.gz SWJWYGKQYNCHCX-VAMGGRTRSA-N 1 3 343.515 1.832 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000173922365 289179605 /nfs/dbraw/zinc/17/96/05/289179605.db2.gz KAKGAKBCSVLJRD-CQSZACIVSA-N 1 3 338.500 1.933 20 0 EDADHO CN(C)[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000173935060 289186229 /nfs/dbraw/zinc/18/62/29/289186229.db2.gz QZIATXSAZNMQRF-MRXNPFEDSA-N 1 3 344.463 1.869 20 0 EDADHO CN(C)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829324 289357371 /nfs/dbraw/zinc/35/73/71/289357371.db2.gz FSLQJKOFUWFDSM-MSOLQXFVSA-N 1 3 332.492 1.848 20 0 EDADHO CC1(C)C[NH2+][C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000645974350 452961070 /nfs/dbraw/zinc/96/10/70/452961070.db2.gz SKQDTJIOFRBSSC-AWEZNQCLSA-N 1 3 325.522 1.852 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343876982 297011690 /nfs/dbraw/zinc/01/16/90/297011690.db2.gz WQQSEFCLCCANKM-BRWVUGGUSA-N 1 3 327.513 1.120 20 0 EDADHO COc1cccc([C@@H](CNC(=O)C[C@@H](C[NH3+])OC)N2CCCC2)c1 ZINC000262768468 295314372 /nfs/dbraw/zinc/31/43/72/295314372.db2.gz HWQCCRNCRJJHLP-DLBZAZTESA-N 1 3 335.448 1.312 20 0 EDADHO C[C@@H]1C[C@H](C)N(CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000422633364 297367260 /nfs/dbraw/zinc/36/72/60/297367260.db2.gz HZTPBDVZMWBVSF-UKBAYJJMSA-N 1 3 346.519 1.711 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)C1 ZINC000418630035 304521358 /nfs/dbraw/zinc/52/13/58/304521358.db2.gz DSUTZVQTIFKIGD-SJLPKXTDSA-N 1 3 330.476 1.999 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843762 304540128 /nfs/dbraw/zinc/54/01/28/304540128.db2.gz SLTKNQDYZZGJQH-HUUCEWRRSA-N 1 3 338.496 1.095 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418910286 304549315 /nfs/dbraw/zinc/54/93/15/304549315.db2.gz BHCVMMVESLEWKU-DAYGRLMNSA-N 1 3 340.512 1.103 20 0 EDADHO O[C@@H](COc1ccccc1)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420308615 304747505 /nfs/dbraw/zinc/74/75/05/304747505.db2.gz CWIICJNIJGRIGG-ZWKOTPCHSA-N 1 3 333.476 1.044 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1cccs1 ZINC000656541116 453263738 /nfs/dbraw/zinc/26/37/38/453263738.db2.gz XFNQLCHDUJJTLZ-AWEZNQCLSA-N 1 3 326.510 1.862 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1cccs1 ZINC000656541116 453263747 /nfs/dbraw/zinc/26/37/47/453263747.db2.gz XFNQLCHDUJJTLZ-AWEZNQCLSA-N 1 3 326.510 1.862 20 0 EDADHO CC(C)N1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000294937916 303155279 /nfs/dbraw/zinc/15/52/79/303155279.db2.gz HUYQZFSFFPTYIH-HXUWFJFHSA-N 1 3 331.504 1.868 20 0 EDADHO CC(C)[NH+]1CCC(NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000294937916 303155280 /nfs/dbraw/zinc/15/52/80/303155280.db2.gz HUYQZFSFFPTYIH-HXUWFJFHSA-N 1 3 331.504 1.868 20 0 EDADHO CNC(=O)C[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000298703845 303547093 /nfs/dbraw/zinc/54/70/93/303547093.db2.gz QVVPLCABDRQNMX-QGZVFWFLSA-N 1 3 332.492 1.703 20 0 EDADHO c1ccc(COc2ccccc2CNCCN2CC[NH2+]CC2)nc1 ZINC000414865775 447334505 /nfs/dbraw/zinc/33/45/05/447334505.db2.gz MBCSATAFLBKTDT-UHFFFAOYSA-N 1 3 326.444 1.655 20 0 EDADHO CC(C)(C[NH3+])C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000430703120 305062866 /nfs/dbraw/zinc/06/28/66/305062866.db2.gz DHSFILPEBUTYMF-UHFFFAOYSA-N 1 3 332.448 1.436 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000430779137 305064818 /nfs/dbraw/zinc/06/48/18/305064818.db2.gz YXSHCRHJAVBRCG-UHFFFAOYSA-N 1 3 347.463 1.826 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1CNC1 ZINC000430804218 305064961 /nfs/dbraw/zinc/06/49/61/305064961.db2.gz CIZSTPPJTYNBLM-QWHZDKJVSA-N 1 3 331.460 1.248 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1CNC1 ZINC000430804218 305064962 /nfs/dbraw/zinc/06/49/62/305064962.db2.gz CIZSTPPJTYNBLM-QWHZDKJVSA-N 1 3 331.460 1.248 20 0 EDADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935419 305069336 /nfs/dbraw/zinc/06/93/36/305069336.db2.gz SUXPTBCYDXPLGV-CQSZACIVSA-N 1 3 330.432 1.423 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380838 305106942 /nfs/dbraw/zinc/10/69/42/305106942.db2.gz FVABQYDWELBZSF-FZKCQIBNSA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385178 305107156 /nfs/dbraw/zinc/10/71/56/305107156.db2.gz XWQRAPYSPPCXDK-KFWWJZLASA-N 1 3 334.468 1.195 20 0 EDADHO [NH3+]C[C@H](NC(=O)CNC[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668625 305126930 /nfs/dbraw/zinc/12/69/30/305126930.db2.gz BMVCIHGQQOWECZ-ROUUACIJSA-N 1 3 327.428 1.724 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@@H+]1C ZINC000442135132 305225836 /nfs/dbraw/zinc/22/58/36/305225836.db2.gz TWDMXMUNJISYJP-CZUORRHYSA-N 1 3 332.448 1.286 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[N@H+]1C ZINC000442135132 305225837 /nfs/dbraw/zinc/22/58/37/305225837.db2.gz TWDMXMUNJISYJP-CZUORRHYSA-N 1 3 332.448 1.286 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000449331501 305311664 /nfs/dbraw/zinc/31/16/64/305311664.db2.gz ZFRHOYAISKLMHK-WCXIOVBPSA-N 1 3 325.497 1.900 20 0 EDADHO CC1(C)COC[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000451808238 305370406 /nfs/dbraw/zinc/37/04/06/305370406.db2.gz IWWFVZBYHOLONR-SFHVURJKSA-N 1 3 345.487 1.913 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCN(C)CC1 ZINC000517719997 305755463 /nfs/dbraw/zinc/75/54/63/305755463.db2.gz QTWOVJIERARHHJ-IHRRRGAJSA-N 1 3 326.510 1.193 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCCN1CC(C)C ZINC000419705471 447361768 /nfs/dbraw/zinc/36/17/68/447361768.db2.gz ZTQVYEMNFREITR-JKSUJKDBSA-N 1 3 340.512 1.103 20 0 EDADHO CC(C)C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000538644128 306031138 /nfs/dbraw/zinc/03/11/38/306031138.db2.gz RPHSFZWKRZOMCI-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000548832280 306139550 /nfs/dbraw/zinc/13/95/50/306139550.db2.gz XZEDCVCTUNFICM-AWEZNQCLSA-N 1 3 332.448 1.736 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCCC(=O)NC(N)=O)cc1 ZINC000548832280 306139551 /nfs/dbraw/zinc/13/95/51/306139551.db2.gz XZEDCVCTUNFICM-AWEZNQCLSA-N 1 3 332.448 1.736 20 0 EDADHO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000554855074 306198852 /nfs/dbraw/zinc/19/88/52/306198852.db2.gz JEZDJFSRESMHEW-UHFFFAOYSA-N 1 3 346.475 1.535 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000557099815 306223872 /nfs/dbraw/zinc/22/38/72/306223872.db2.gz FGVPAUBQYDLKPN-CRAIPNDOSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422146295 447372554 /nfs/dbraw/zinc/37/25/54/447372554.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000422146295 447372565 /nfs/dbraw/zinc/37/25/65/447372565.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 1 3 330.476 1.997 20 0 EDADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000419735364 447381895 /nfs/dbraw/zinc/38/18/95/447381895.db2.gz QAXGUQOYIYTJNI-QGZVFWFLSA-N 1 3 348.491 1.384 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)n1 ZINC000415222534 447400754 /nfs/dbraw/zinc/40/07/54/447400754.db2.gz WUMRISKPEQFOMK-UHFFFAOYSA-N 1 3 344.463 1.828 20 0 EDADHO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)C1=O ZINC000378478566 447433552 /nfs/dbraw/zinc/43/35/52/447433552.db2.gz XFPWHUBSLKYKGC-UGSOOPFHSA-N 1 3 336.480 1.559 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000046382205 441105126 /nfs/dbraw/zinc/10/51/26/441105126.db2.gz UONXQTSEKIZEJS-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105112006 441234974 /nfs/dbraw/zinc/23/49/74/441234974.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105112006 441234979 /nfs/dbraw/zinc/23/49/79/441234979.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000378527258 447439376 /nfs/dbraw/zinc/43/93/76/447439376.db2.gz ULZBOVPUJXLQRY-HUUCEWRRSA-N 1 3 325.497 1.865 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000073377943 441313580 /nfs/dbraw/zinc/31/35/80/441313580.db2.gz CSJIVVBXDBOGCM-UHFFFAOYSA-N 1 3 344.503 1.753 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000074098034 441391934 /nfs/dbraw/zinc/39/19/34/441391934.db2.gz CMTXCRGSHAPGLF-SJORKVTESA-N 1 3 338.496 1.271 20 0 EDADHO CO[C@@]1(C)C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000074943055 441481964 /nfs/dbraw/zinc/48/19/64/441481964.db2.gz CGHDVNYNOAJCGI-YOEHRIQHSA-N 1 3 328.501 1.325 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000158541779 441744972 /nfs/dbraw/zinc/74/49/72/441744972.db2.gz VDFFCQUWNPUPRL-SFHVURJKSA-N 1 3 332.492 1.433 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091848469 441747588 /nfs/dbraw/zinc/74/75/88/441747588.db2.gz CDZOYYMQVSIJAV-IAGOWNOFSA-N 1 3 339.528 1.138 20 0 EDADHO CC1CCN(C[C@H](O)C[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000158993906 441778665 /nfs/dbraw/zinc/77/86/65/441778665.db2.gz BUTIHEONLTVFFP-HXUWFJFHSA-N 1 3 346.519 1.728 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC2CCN(Cc3cccnc3)CC2)CC1 ZINC000158993906 441778670 /nfs/dbraw/zinc/77/86/70/441778670.db2.gz BUTIHEONLTVFFP-HXUWFJFHSA-N 1 3 346.519 1.728 20 0 EDADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N(C)C1CC1 ZINC000077593415 441811282 /nfs/dbraw/zinc/81/12/82/441811282.db2.gz YARFJHHFMXRIPA-CABCVRRESA-N 1 3 338.496 1.269 20 0 EDADHO CCc1nc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000077826579 441871348 /nfs/dbraw/zinc/87/13/48/441871348.db2.gz YRHPEOIWVNORKX-ZDUSSCGKSA-N 1 3 341.525 1.901 20 0 EDADHO CC(=O)NCCc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000092740559 441823887 /nfs/dbraw/zinc/82/38/87/441823887.db2.gz UNVTYPUHXWRIQC-MRXNPFEDSA-N 1 3 347.503 1.863 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)N(C)C)cc1 ZINC000123916762 441903365 /nfs/dbraw/zinc/90/33/65/441903365.db2.gz APGAQCJKBRQJKZ-WMZOPIPTSA-N 1 3 336.480 1.210 20 0 EDADHO CC1CCN(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175606613 442093165 /nfs/dbraw/zinc/09/31/65/442093165.db2.gz FXRPVIXEQKBBAC-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NO[C@H]3CCCCO3)CC2)CC1 ZINC000162659834 442112324 /nfs/dbraw/zinc/11/23/24/442112324.db2.gz GBXIUSRTRRUKSR-INIZCTEOSA-N 1 3 340.468 1.302 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013316 442401859 /nfs/dbraw/zinc/40/18/59/442401859.db2.gz BNZIWUCAYPEUBS-DLBZAZTESA-N 1 3 346.475 1.676 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000178874887 442510161 /nfs/dbraw/zinc/51/01/61/442510161.db2.gz KSNCKTHTGPJBER-LJQANCHMSA-N 1 3 344.503 1.453 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178873909 442510362 /nfs/dbraw/zinc/51/03/62/442510362.db2.gz ADFOEZVYSOMOCE-IBGZPJMESA-N 1 3 344.503 1.582 20 0 EDADHO COc1cc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000178982358 442543601 /nfs/dbraw/zinc/54/36/01/442543601.db2.gz NIIZCVSOQSKDAF-UHFFFAOYSA-N 1 3 333.476 1.821 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@]1(F)CC[NH2+]C1 ZINC000178879225 442512243 /nfs/dbraw/zinc/51/22/43/442512243.db2.gz GJBCLSUXJUIVNP-IBGZPJMESA-N 1 3 346.450 1.859 20 0 EDADHO Cn1c2ccc(CNCCN3CCC([NH+](C)C)CC3)cc2sc1=O ZINC000192685343 442677083 /nfs/dbraw/zinc/67/70/83/442677083.db2.gz MQFIDRMAXFBLFO-UHFFFAOYSA-N 1 3 348.516 1.716 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052918 442705788 /nfs/dbraw/zinc/70/57/88/442705788.db2.gz SCYXFZQKZAIIDR-MAUKXSAKSA-N 1 3 325.497 1.756 20 0 EDADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000182167522 442741857 /nfs/dbraw/zinc/74/18/57/442741857.db2.gz LMJGNIKASNQTDP-RHSMWYFYSA-N 1 3 333.480 1.165 20 0 EDADHO CN(CC1CCOCC1)CC1(C[N@H+](C)CC2CCOCC2)COC1 ZINC000182394567 442763337 /nfs/dbraw/zinc/76/33/37/442763337.db2.gz HVIVXHHSIMXAJX-UHFFFAOYSA-N 1 3 340.508 1.720 20 0 EDADHO CN(CC1CCOCC1)CC1(C[N@@H+](C)CC2CCOCC2)COC1 ZINC000182394567 442763339 /nfs/dbraw/zinc/76/33/39/442763339.db2.gz HVIVXHHSIMXAJX-UHFFFAOYSA-N 1 3 340.508 1.720 20 0 EDADHO CC[NH+]1CCN(CCCNC(=O)[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000265437394 442772518 /nfs/dbraw/zinc/77/25/18/442772518.db2.gz XPTRZGYTRJMVLU-SFHVURJKSA-N 1 3 346.519 1.651 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000265604899 442842694 /nfs/dbraw/zinc/84/26/94/442842694.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000265604899 442842698 /nfs/dbraw/zinc/84/26/98/442842698.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 1 3 348.491 1.527 20 0 EDADHO CCN(CC)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189006951 442859942 /nfs/dbraw/zinc/85/99/42/442859942.db2.gz GVNONDMOQZNLCT-CJNGLKHVSA-N 1 3 325.403 1.868 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000268255445 442919944 /nfs/dbraw/zinc/91/99/44/442919944.db2.gz XXKMDSAFELVDOB-PBHICJAKSA-N 1 3 331.460 1.840 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341442 443087274 /nfs/dbraw/zinc/08/72/74/443087274.db2.gz FRRFGAYDZCXXHU-VQIMIIECSA-N 1 3 345.487 1.601 20 0 EDADHO CC(C)(C)OC(=O)N1CCC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000236724587 443145311 /nfs/dbraw/zinc/14/53/11/443145311.db2.gz OFTIDTVOLFRCHV-CVEARBPZSA-N 1 3 341.496 1.680 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261767097 443169040 /nfs/dbraw/zinc/16/90/40/443169040.db2.gz FNOHOKVWEDUGPA-BFYDXBDKSA-N 1 3 325.497 1.615 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261767111 443169185 /nfs/dbraw/zinc/16/91/85/443169185.db2.gz FNOHOKVWEDUGPA-INMHGKMJSA-N 1 3 325.497 1.615 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000236992298 443154931 /nfs/dbraw/zinc/15/49/31/443154931.db2.gz IGBDZJJILZLKQF-UHFFFAOYSA-N 1 3 330.476 1.639 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663088 443242946 /nfs/dbraw/zinc/24/29/46/443242946.db2.gz DJOCBPLOAOVPIZ-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663088 443242949 /nfs/dbraw/zinc/24/29/49/443242949.db2.gz DJOCBPLOAOVPIZ-SJORKVTESA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000397343532 319134308 /nfs/dbraw/zinc/13/43/08/319134308.db2.gz WWVHTROXBLLFPI-MCIONIFRSA-N 1 3 341.477 1.018 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000266812828 443252524 /nfs/dbraw/zinc/25/25/24/443252524.db2.gz HYSQIDSZHBPRSA-LJQANCHMSA-N 1 3 342.487 1.505 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000266812828 443252530 /nfs/dbraw/zinc/25/25/30/443252530.db2.gz HYSQIDSZHBPRSA-LJQANCHMSA-N 1 3 342.487 1.505 20 0 EDADHO CC[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000412768262 319240460 /nfs/dbraw/zinc/24/04/60/319240460.db2.gz ACPKDMANQWBKPA-QGZVFWFLSA-N 1 3 333.476 1.470 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000414777485 319343864 /nfs/dbraw/zinc/34/38/64/319343864.db2.gz DFOYMSYGYQULAO-HNNXBMFYSA-N 1 3 346.475 1.581 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000415082993 319345790 /nfs/dbraw/zinc/34/57/90/319345790.db2.gz MOHCUABLJDSSLU-ZDUSSCGKSA-N 1 3 340.265 1.736 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415217660 319352482 /nfs/dbraw/zinc/35/24/82/319352482.db2.gz UIJDMGJJMMAHEU-BBRMVZONSA-N 1 3 332.448 1.635 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000415222700 319353518 /nfs/dbraw/zinc/35/35/18/319353518.db2.gz FOJYRILEJCLYON-HOCLYGCPSA-N 1 3 344.459 1.430 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415852999 319377992 /nfs/dbraw/zinc/37/79/92/319377992.db2.gz SFCLDTWJJICXTP-CJNGLKHVSA-N 1 3 346.475 1.438 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F ZINC000415996184 319388367 /nfs/dbraw/zinc/38/83/67/319388367.db2.gz OMPVPDUECBEMEB-UONOGXRCSA-N 1 3 344.381 1.840 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000417328066 319491643 /nfs/dbraw/zinc/49/16/43/319491643.db2.gz HXRAUHRGOJHZJH-HNNXBMFYSA-N 1 3 348.491 1.896 20 0 EDADHO CN(c1ccccc1CNCC1(CO)COC1)C1CC[NH+](C)CC1 ZINC000269525961 443337159 /nfs/dbraw/zinc/33/71/59/443337159.db2.gz ZDWZJQCIKGZVJE-UHFFFAOYSA-N 1 3 333.476 1.316 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000264759632 443411454 /nfs/dbraw/zinc/41/14/54/443411454.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 1 3 336.480 1.384 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000264759632 443411460 /nfs/dbraw/zinc/41/14/60/443411460.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 1 3 336.480 1.384 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278984900 443481437 /nfs/dbraw/zinc/48/14/37/443481437.db2.gz KIDKXAREXMMVOR-CYBMUJFWSA-N 1 3 343.431 1.679 20 0 EDADHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3cnnn3C)CC2)c1 ZINC000267534441 443487937 /nfs/dbraw/zinc/48/79/37/443487937.db2.gz UWZUUMNJRKLQSW-UHFFFAOYSA-N 1 3 342.491 1.816 20 0 EDADHO C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](C)N1CCOCC1 ZINC000422733081 319734656 /nfs/dbraw/zinc/73/46/56/319734656.db2.gz ARYDAJSSJUFSNA-YTXYEVPYSA-N 1 3 345.487 1.941 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944243 319739660 /nfs/dbraw/zinc/73/96/60/319739660.db2.gz ZQIJBHZSCOWCIS-HOCLYGCPSA-N 1 3 325.478 1.380 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458457510 320336985 /nfs/dbraw/zinc/33/69/85/320336985.db2.gz MPPUAMJZRULLQJ-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO CSC1(CNC(=O)NC(C)(C)C[NH+]2CCCC2)CCN(C)CC1 ZINC000458797383 320341808 /nfs/dbraw/zinc/34/18/08/320341808.db2.gz XUZIVUVPHKVYJF-UHFFFAOYSA-N 1 3 342.553 1.987 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000500189011 320425489 /nfs/dbraw/zinc/42/54/89/320425489.db2.gz SYEHGXFCQWMMJR-BPUTZDHNSA-N 1 3 326.485 1.004 20 0 EDADHO C[C@@H](C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)[C@H](C)[NH3+] ZINC000277103840 443913374 /nfs/dbraw/zinc/91/33/74/443913374.db2.gz UGHAKOADSFHCKS-KGLIPLIRSA-N 1 3 337.439 1.768 20 0 EDADHO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000548189868 320866856 /nfs/dbraw/zinc/86/68/56/320866856.db2.gz JLWMEWLIUQDHIS-DLBZAZTESA-N 1 3 342.528 1.715 20 0 EDADHO CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000277531937 444002843 /nfs/dbraw/zinc/00/28/43/444002843.db2.gz SPXQDPIGRPTAJR-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO CCNc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(NC(C)(C)C)n1 ZINC000557554756 321005622 /nfs/dbraw/zinc/00/56/22/321005622.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 1 3 335.500 1.500 20 0 EDADHO CCNc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(NC(C)(C)C)n1 ZINC000557554756 321005623 /nfs/dbraw/zinc/00/56/23/321005623.db2.gz BTCJSOJIVKQWET-CYBMUJFWSA-N 1 3 335.500 1.500 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[NH2+]Cc2cccnc2)C1(C)C ZINC000563106138 321096523 /nfs/dbraw/zinc/09/65/23/321096523.db2.gz XPMJXBSTGATKKA-CRAIPNDOSA-N 1 3 334.464 1.210 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000564733152 321144022 /nfs/dbraw/zinc/14/40/22/321144022.db2.gz UVYLTXFVEJMTTD-SJLPKXTDSA-N 1 3 346.519 1.855 20 0 EDADHO CN(C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000564889472 321155093 /nfs/dbraw/zinc/15/50/93/321155093.db2.gz CQQJUVPXZBPWKE-LXPRWKDFSA-N 1 3 333.476 1.562 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000564954815 321160007 /nfs/dbraw/zinc/16/00/07/321160007.db2.gz WDGPJABYSRISAR-ORPJZTTNSA-N 1 3 327.472 1.826 20 0 EDADHO Cn1c2ccccc2nc1CCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566304265 321226012 /nfs/dbraw/zinc/22/60/12/321226012.db2.gz XFAVOCCSVUHKMF-BEFAXECRSA-N 1 3 328.460 1.944 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000567475348 321242961 /nfs/dbraw/zinc/24/29/61/321242961.db2.gz HNNSZVKJYCXKJE-AEFFLSMTSA-N 1 3 333.476 1.392 20 0 EDADHO C[C@H](C[C@H]1COCCN1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000567648348 321250422 /nfs/dbraw/zinc/25/04/22/321250422.db2.gz ACXAULAJYXAUKA-CVEARBPZSA-N 1 3 347.507 1.791 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567804669 321258754 /nfs/dbraw/zinc/25/87/54/321258754.db2.gz SMNKBFPDDZGWCK-ICSRJNTNSA-N 1 3 345.487 1.127 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083120 321317403 /nfs/dbraw/zinc/31/74/03/321317403.db2.gz KMBRKRCCJONWCN-AWEZNQCLSA-N 1 3 344.459 1.119 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000569098449 321318710 /nfs/dbraw/zinc/31/87/10/321318710.db2.gz GEVZDDKWUREOIT-LXZKKBNFSA-N 1 3 344.459 1.320 20 0 EDADHO CCOc1ncc(C)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000569192731 321321028 /nfs/dbraw/zinc/32/10/28/321321028.db2.gz BDHLNQQJBRQRHP-UHFFFAOYSA-N 1 3 337.468 1.746 20 0 EDADHO CS[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@@H]1N(C)C ZINC000571267105 321381180 /nfs/dbraw/zinc/38/11/80/321381180.db2.gz WRBWXQWWAYHVRH-HOTGVXAUSA-N 1 3 334.489 1.842 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000289554346 444170709 /nfs/dbraw/zinc/17/07/09/444170709.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 1 3 331.504 1.942 20 0 EDADHO Cc1cc(N(C)C[C@@H](O)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302682004 444219550 /nfs/dbraw/zinc/21/95/50/444219550.db2.gz SFOZMHXHKHASBS-MRXNPFEDSA-N 1 3 328.460 1.588 20 0 EDADHO C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc(OCCN(C)C)c1 ZINC000289735961 444197043 /nfs/dbraw/zinc/19/70/43/444197043.db2.gz KITIRZJUWPRJNF-OAHLLOKOSA-N 1 3 347.463 1.452 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)C[C@H](C)O1 ZINC000303981628 444238994 /nfs/dbraw/zinc/23/89/94/444238994.db2.gz FXPJCZGJECONSH-RDGPPVDQSA-N 1 3 339.524 1.407 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)C[C@H](C)O1 ZINC000303981628 444238996 /nfs/dbraw/zinc/23/89/96/444238996.db2.gz FXPJCZGJECONSH-RDGPPVDQSA-N 1 3 339.524 1.407 20 0 EDADHO CN(CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280990 /nfs/dbraw/zinc/28/09/90/444280990.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 1 3 348.491 1.264 20 0 EDADHO CN(CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280993 /nfs/dbraw/zinc/28/09/93/444280993.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 1 3 348.491 1.264 20 0 EDADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426396 444291605 /nfs/dbraw/zinc/29/16/05/444291605.db2.gz PDONYXNHBNXGQC-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H](NC(=O)COC1(C)CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426396 444291608 /nfs/dbraw/zinc/29/16/08/444291608.db2.gz PDONYXNHBNXGQC-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000340262443 444374498 /nfs/dbraw/zinc/37/44/98/444374498.db2.gz DBHCEGRSUQEBMS-INIZCTEOSA-N 1 3 340.512 1.167 20 0 EDADHO CCCC[N@H+](C)CC1CCN(CCCNS(=O)(=O)CC)CC1 ZINC000337959312 444472003 /nfs/dbraw/zinc/47/20/03/444472003.db2.gz JIJNAJBIFJVADU-UHFFFAOYSA-N 1 3 333.542 1.760 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(CCCNS(=O)(=O)CC)CC1 ZINC000337959312 444472006 /nfs/dbraw/zinc/47/20/06/444472006.db2.gz JIJNAJBIFJVADU-UHFFFAOYSA-N 1 3 333.542 1.760 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000338048502 444499233 /nfs/dbraw/zinc/49/92/33/444499233.db2.gz FIFMWBMJMLYOCY-IEBWSBKVSA-N 1 3 338.540 1.641 20 0 EDADHO CN1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1cccs1 ZINC000580052506 322002047 /nfs/dbraw/zinc/00/20/47/322002047.db2.gz IVABGFPQUAYTIN-XYTFPVCRSA-N 1 3 334.489 1.648 20 0 EDADHO C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C3CC3)[C@H]3CNCCO3)nc2)C1 ZINC000580062658 322003315 /nfs/dbraw/zinc/00/33/15/322003315.db2.gz PAVVHWDVURWGFC-LMMKCTJWSA-N 1 3 345.491 1.401 20 0 EDADHO CC1(C)CN(Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725329 322088459 /nfs/dbraw/zinc/08/84/59/322088459.db2.gz ARNYBBBWWDSULR-IRXDYDNUSA-N 1 3 330.476 1.948 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000581202452 322149386 /nfs/dbraw/zinc/14/93/86/322149386.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 1 3 348.535 1.049 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN(C)CCN1CCN(Cc2ccccc2)CC1 ZINC000581202452 322149387 /nfs/dbraw/zinc/14/93/87/322149387.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 1 3 348.535 1.049 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnccc3CO)CC2)CC1 ZINC000581616812 322200396 /nfs/dbraw/zinc/20/03/96/322200396.db2.gz YUCZYTUBEKKJBP-UHFFFAOYSA-N 1 3 346.475 1.709 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000343695809 444526356 /nfs/dbraw/zinc/52/63/56/444526356.db2.gz QRSNVDXPFJYYAC-MRXNPFEDSA-N 1 3 340.512 1.215 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604147 /nfs/dbraw/zinc/60/41/47/444604147.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO CCN1CCN(CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604151 /nfs/dbraw/zinc/60/41/51/444604151.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 1 3 339.528 1.186 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341098233 444672915 /nfs/dbraw/zinc/67/29/15/444672915.db2.gz YRJCNDQZOJVUFS-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341098233 444672917 /nfs/dbraw/zinc/67/29/17/444672917.db2.gz YRJCNDQZOJVUFS-HOTGVXAUSA-N 1 3 328.501 1.469 20 0 EDADHO COC[C@@H](NCc1ccncc1OCC[NH+](C)C)C1CCOCC1 ZINC000343991510 444714158 /nfs/dbraw/zinc/71/41/58/444714158.db2.gz QLIPGGKRZHVFGE-QGZVFWFLSA-N 1 3 337.464 1.553 20 0 EDADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344028019 444738038 /nfs/dbraw/zinc/73/80/38/444738038.db2.gz LPRKJXATLRGDKC-ZWKOTPCHSA-N 1 3 340.556 1.981 20 0 EDADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344028018 444738184 /nfs/dbraw/zinc/73/81/84/444738184.db2.gz LPRKJXATLRGDKC-ROUUACIJSA-N 1 3 340.556 1.981 20 0 EDADHO C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344032315 444739884 /nfs/dbraw/zinc/73/98/84/444739884.db2.gz PUUJZAPHOLVOGQ-DLBZAZTESA-N 1 3 326.529 1.497 20 0 EDADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022903 444734185 /nfs/dbraw/zinc/73/41/85/444734185.db2.gz PJRIEQYFBWRZFB-GDBMZVCRSA-N 1 3 349.475 1.942 20 0 EDADHO C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)CN(C)C ZINC000336868784 444812340 /nfs/dbraw/zinc/81/23/40/444812340.db2.gz ZEZQQDWRNYNGCV-KGLIPLIRSA-N 1 3 327.494 1.785 20 0 EDADHO COc1cnccc1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338913437 444928978 /nfs/dbraw/zinc/92/89/78/444928978.db2.gz ICTDROAAIGWECL-UHFFFAOYSA-N 1 3 344.459 1.613 20 0 EDADHO COc1cc(C)c(C[C@@H](C)NC[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399978 445062878 /nfs/dbraw/zinc/06/28/78/445062878.db2.gz QUFHOSBSIZOSBJ-WBVHZDCISA-N 1 3 336.476 1.990 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105369 445070022 /nfs/dbraw/zinc/07/00/22/445070022.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105369 445070026 /nfs/dbraw/zinc/07/00/26/445070026.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 1 3 345.487 1.591 20 0 EDADHO COc1ccc(F)c(C[NH2+]CCCCN2CCN(CCO)CC2)c1 ZINC000339255264 445118280 /nfs/dbraw/zinc/11/82/80/445118280.db2.gz AKYMTODHLHBVLY-UHFFFAOYSA-N 1 3 339.455 1.314 20 0 EDADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084274 445205813 /nfs/dbraw/zinc/20/58/13/445205813.db2.gz CMHPFSJESFSQOO-GOEBONIOSA-N 1 3 347.459 1.696 20 0 EDADHO COCCN1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964289 445228960 /nfs/dbraw/zinc/22/89/60/445228960.db2.gz NJNHMZFKRJJRKE-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085552 445231386 /nfs/dbraw/zinc/23/13/86/445231386.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000347085552 445231387 /nfs/dbraw/zinc/23/13/87/445231387.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 1 3 337.508 1.555 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354588033 445305345 /nfs/dbraw/zinc/30/53/45/445305345.db2.gz UTYNYMXDXMCNJC-GVDBMIGSSA-N 1 3 325.497 1.581 20 0 EDADHO CCN(CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123224 445280779 /nfs/dbraw/zinc/28/07/79/445280779.db2.gz DGFFEJVZELZVPV-SJORKVTESA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000351822910 445333787 /nfs/dbraw/zinc/33/37/87/445333787.db2.gz PNBBRCSFXKCHOF-MSOLQXFVSA-N 1 3 344.503 1.785 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359738708 445400709 /nfs/dbraw/zinc/40/07/09/445400709.db2.gz JLKZVBXIRSQERD-UHFFFAOYSA-N 1 3 349.479 1.258 20 0 EDADHO C[C@@H]1C(=O)CC[C@H]1CC(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000355994513 445562580 /nfs/dbraw/zinc/56/25/80/445562580.db2.gz XFMAERSBVRHBKW-HOTGVXAUSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358014800 445600018 /nfs/dbraw/zinc/60/00/18/445600018.db2.gz DDHAIZYEYZMSIY-ULQDDVLXSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358014800 445600020 /nfs/dbraw/zinc/60/00/20/445600020.db2.gz DDHAIZYEYZMSIY-ULQDDVLXSA-N 1 3 325.497 1.724 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000356085297 445611317 /nfs/dbraw/zinc/61/13/17/445611317.db2.gz FCGUDSXQNSDCAV-MRXNPFEDSA-N 1 3 349.523 1.973 20 0 EDADHO C[NH+]1CCC(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000356126041 445635747 /nfs/dbraw/zinc/63/57/47/445635747.db2.gz RQFPVHYHKSKOJL-GOSISDBHSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660467 445637798 /nfs/dbraw/zinc/63/77/98/445637798.db2.gz BZBLLKIPJVKATB-QZTJIDSGSA-N 1 3 348.491 1.179 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000360248758 445655740 /nfs/dbraw/zinc/65/57/40/445655740.db2.gz JNQZLBARQZPSDE-DZKIICNBSA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCSC1 ZINC000360248758 445655743 /nfs/dbraw/zinc/65/57/43/445655743.db2.gz JNQZLBARQZPSDE-DZKIICNBSA-N 1 3 326.510 1.350 20 0 EDADHO CC(C)[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353659732 445696233 /nfs/dbraw/zinc/69/62/33/445696233.db2.gz BDUJQTFTLURUDE-NVXWUHKLSA-N 1 3 333.476 1.986 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCC(O)CC2)[C@@H](C)C1 ZINC000360338147 445699958 /nfs/dbraw/zinc/69/99/58/445699958.db2.gz PBMJJRMFBIXOON-PKOBYXMFSA-N 1 3 341.540 1.560 20 0 EDADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000349903793 445717002 /nfs/dbraw/zinc/71/70/02/445717002.db2.gz BJYOJNMSMMXHMK-BZSNNMDCSA-N 1 3 327.513 1.120 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000358738581 445751913 /nfs/dbraw/zinc/75/19/13/445751913.db2.gz BMLXDHYLXKDDPS-QGZVFWFLSA-N 1 3 342.553 1.845 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356610630 445884207 /nfs/dbraw/zinc/88/42/07/445884207.db2.gz UNUQLGKZWPILJN-ROUUACIJSA-N 1 3 338.540 1.593 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356610630 445884210 /nfs/dbraw/zinc/88/42/10/445884210.db2.gz UNUQLGKZWPILJN-ROUUACIJSA-N 1 3 338.540 1.593 20 0 EDADHO CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363556641 445857541 /nfs/dbraw/zinc/85/75/41/445857541.db2.gz CFJUNOSNIUCRCD-GOSISDBHSA-N 1 3 330.476 1.894 20 0 EDADHO CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363556641 445857544 /nfs/dbraw/zinc/85/75/44/445857544.db2.gz CFJUNOSNIUCRCD-GOSISDBHSA-N 1 3 330.476 1.894 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000356591141 445875373 /nfs/dbraw/zinc/87/53/73/445875373.db2.gz CMIYADKIGZGQLJ-GOSISDBHSA-N 1 3 338.540 1.737 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000356591141 445875378 /nfs/dbraw/zinc/87/53/78/445875378.db2.gz CMIYADKIGZGQLJ-GOSISDBHSA-N 1 3 338.540 1.737 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000350732658 445891511 /nfs/dbraw/zinc/89/15/11/445891511.db2.gz QSZROMQFLMLQPC-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000373039183 445989237 /nfs/dbraw/zinc/98/92/37/445989237.db2.gz ZUUAUOUQNVELEK-MRXNPFEDSA-N 1 3 335.492 1.432 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CC)C2)[C@H](C)C1 ZINC000361943170 446092461 /nfs/dbraw/zinc/09/24/61/446092461.db2.gz AZVCGGJHXRXMNN-ZACQAIPSSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CC)C2)[C@H](C)C1 ZINC000361943170 446092467 /nfs/dbraw/zinc/09/24/67/446092467.db2.gz AZVCGGJHXRXMNN-ZACQAIPSSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)[C@H]1CCCOC1 ZINC000356904461 446110622 /nfs/dbraw/zinc/11/06/22/446110622.db2.gz TZUKRZJFXAHRNW-WDSOQIARSA-N 1 3 347.503 1.680 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C1CCSCC1 ZINC000354346069 446129642 /nfs/dbraw/zinc/12/96/42/446129642.db2.gz FPPSADQQFOYEQA-MRXNPFEDSA-N 1 3 329.554 1.498 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544464 446145577 /nfs/dbraw/zinc/14/55/77/446145577.db2.gz UXOWHKKGANSCLM-HOCLYGCPSA-N 1 3 346.475 1.100 20 0 EDADHO COCCC(C)(C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000370369676 446250813 /nfs/dbraw/zinc/25/08/13/446250813.db2.gz JTXXGTYFYDLEQI-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1N1CCN(C)CC1 ZINC000365633824 446281671 /nfs/dbraw/zinc/28/16/71/446281671.db2.gz JCMKSGHSRXAYPA-SJORKVTESA-N 1 3 334.508 1.099 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000370592759 446347442 /nfs/dbraw/zinc/34/74/42/446347442.db2.gz IWUCDYUFRBMIQT-MSOLQXFVSA-N 1 3 330.476 1.927 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417370772 446350449 /nfs/dbraw/zinc/35/04/49/446350449.db2.gz UKHYSXWAOQFIQL-UHFFFAOYSA-N 1 3 334.464 1.568 20 0 EDADHO COCCN(C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417441705 446351776 /nfs/dbraw/zinc/35/17/76/446351776.db2.gz QRRMUROKUWJJIG-UHFFFAOYSA-N 1 3 338.496 1.017 20 0 EDADHO C[NH+]1CCC2(CCCN(CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000374178526 446356723 /nfs/dbraw/zinc/35/67/23/446356723.db2.gz PNKUGVZBBBFLED-UHFFFAOYSA-N 1 3 348.491 1.659 20 0 EDADHO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370897 /nfs/dbraw/zinc/37/08/97/446370897.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 1 3 339.524 1.576 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417897796 446379877 /nfs/dbraw/zinc/37/98/77/446379877.db2.gz XAHTXWBGTMPEKV-SFHVURJKSA-N 1 3 347.507 1.838 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCCNCc2cccnc2)C1 ZINC000417897796 446379882 /nfs/dbraw/zinc/37/98/82/446379882.db2.gz XAHTXWBGTMPEKV-SFHVURJKSA-N 1 3 347.507 1.838 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365877385 446384416 /nfs/dbraw/zinc/38/44/16/446384416.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000365877385 446384422 /nfs/dbraw/zinc/38/44/22/446384422.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)[C@H]1CCCCN1 ZINC000423170125 446446770 /nfs/dbraw/zinc/44/67/70/446446770.db2.gz LASIUYDVQGHAIN-IAGOWNOFSA-N 1 3 325.497 1.378 20 0 EDADHO C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C1=CCN(C)CC1 ZINC000417989899 446408603 /nfs/dbraw/zinc/40/86/03/446408603.db2.gz JZTVYBJMKUKHLG-OAHLLOKOSA-N 1 3 331.464 1.511 20 0 EDADHO CN(CC(=O)NCC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374847785 446416291 /nfs/dbraw/zinc/41/62/91/446416291.db2.gz SSWBTIUJOLLXMD-UHFFFAOYSA-N 1 3 344.381 1.908 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418037738 446422041 /nfs/dbraw/zinc/42/20/41/446422041.db2.gz REJVWSDCFZDXJK-SQNIBIBYSA-N 1 3 348.491 1.117 20 0 EDADHO CSC1(CNC(=O)N[C@H](C[NH3+])C2CCCC2)CCN(C)CC1 ZINC000418202979 446455985 /nfs/dbraw/zinc/45/59/85/446455985.db2.gz UUSWGVKHEDLSSQ-CQSZACIVSA-N 1 3 328.526 1.631 20 0 EDADHO C[NH+](C)CC1(NC(=O)c2cnn(CCN3CCCCC3)c2)CCC1 ZINC000367006236 446458726 /nfs/dbraw/zinc/45/87/26/446458726.db2.gz ZWWGGIUXECWPSE-UHFFFAOYSA-N 1 3 333.480 1.583 20 0 EDADHO CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418227920 446464670 /nfs/dbraw/zinc/46/46/70/446464670.db2.gz DDKYEKVNFCRLER-KCXAZCMYSA-N 1 3 336.505 2.000 20 0 EDADHO CCCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000420311086 446473854 /nfs/dbraw/zinc/47/38/54/446473854.db2.gz GSNJZSHMSYAJFM-IBGZPJMESA-N 1 3 346.519 1.870 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000420314994 446479539 /nfs/dbraw/zinc/47/95/39/446479539.db2.gz RIVLMVXLADQDKO-MSOLQXFVSA-N 1 3 332.492 1.479 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)ccc1OCCN(C)C ZINC000423337015 446494661 /nfs/dbraw/zinc/49/46/61/446494661.db2.gz HAVSSCYXHLSKAV-GDBMZVCRSA-N 1 3 349.475 1.640 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNCC[C@@H]1c1ccc(F)c(F)c1 ZINC000423365495 446503635 /nfs/dbraw/zinc/50/36/35/446503635.db2.gz KFHYNADRTHBTTF-SCFUHWHPSA-N 1 3 339.430 1.767 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423365495 446503641 /nfs/dbraw/zinc/50/36/41/446503641.db2.gz KFHYNADRTHBTTF-SCFUHWHPSA-N 1 3 339.430 1.767 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCN1CCCO)C1CCCCC1 ZINC000418343109 446509233 /nfs/dbraw/zinc/50/92/33/446509233.db2.gz AMFFWACIHXYKPL-CVEARBPZSA-N 1 3 326.485 1.040 20 0 EDADHO COc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341108 446511844 /nfs/dbraw/zinc/51/18/44/446511844.db2.gz NQTDSNSJRNGGFS-QZTJIDSGSA-N 1 3 345.487 1.975 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360938 446513538 /nfs/dbraw/zinc/51/35/38/446513538.db2.gz KPSMIRDWNNOQQX-RDJZCZTQSA-N 1 3 339.528 1.219 20 0 EDADHO C[C@H](C[NH3+])CNC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000418480049 446559449 /nfs/dbraw/zinc/55/94/49/446559449.db2.gz CASDMOAJPVOOAH-QGZVFWFLSA-N 1 3 332.492 1.931 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418486076 446561824 /nfs/dbraw/zinc/56/18/24/446561824.db2.gz INRGSQXVSVLBGP-MAUKXSAKSA-N 1 3 330.476 1.887 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418420960 446538455 /nfs/dbraw/zinc/53/84/55/446538455.db2.gz ZUFVSDVINXHUII-SJORKVTESA-N 1 3 339.528 1.173 20 0 EDADHO COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC2 ZINC000420362425 446542140 /nfs/dbraw/zinc/54/21/40/446542140.db2.gz OEUUGKSXCRIXNT-ULQDDVLXSA-N 1 3 332.444 1.192 20 0 EDADHO COC(=O)[C@@H]1CC12CCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420362425 446542145 /nfs/dbraw/zinc/54/21/45/446542145.db2.gz OEUUGKSXCRIXNT-ULQDDVLXSA-N 1 3 332.444 1.192 20 0 EDADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000453198622 446550204 /nfs/dbraw/zinc/55/02/04/446550204.db2.gz QCSFBKUYMPVZLJ-BEFAXECRSA-N 1 3 326.444 1.764 20 0 EDADHO Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000423480351 446551767 /nfs/dbraw/zinc/55/17/67/446551767.db2.gz VUCVCDDZTDQGQA-BTHPGYMESA-N 1 3 347.478 1.875 20 0 EDADHO O=C1N[C@H]2CN(CCCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420406589 446580591 /nfs/dbraw/zinc/58/05/91/446580591.db2.gz RBEVEHBKTQPYFG-RBUKOAKNSA-N 1 3 342.487 1.839 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532429 446583509 /nfs/dbraw/zinc/58/35/09/446583509.db2.gz SVDVJZFUBXBUPF-KFWWJZLASA-N 1 3 326.485 1.255 20 0 EDADHO CN(C)CCN(C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453688793 446600486 /nfs/dbraw/zinc/60/04/86/446600486.db2.gz FQEBBELKRUUGQZ-MRXNPFEDSA-N 1 3 332.448 1.194 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000418589204 446604998 /nfs/dbraw/zinc/60/49/98/446604998.db2.gz INSHPDFHSJPCTC-PBHICJAKSA-N 1 3 336.455 1.897 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000418661074 446638989 /nfs/dbraw/zinc/63/89/89/446638989.db2.gz ZVHGZDMXFTVZDJ-BFYDXBDKSA-N 1 3 334.464 1.397 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000368103214 446643009 /nfs/dbraw/zinc/64/30/09/446643009.db2.gz UAQSBSOEDUBAHB-CVEARBPZSA-N 1 3 339.480 1.012 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCN(C2CC2)C1 ZINC000418683159 446647148 /nfs/dbraw/zinc/64/71/48/446647148.db2.gz JBPUOJVYUZNSGD-AYOQOUSVSA-N 1 3 342.487 1.868 20 0 EDADHO CN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000418692080 446650933 /nfs/dbraw/zinc/65/09/33/446650933.db2.gz ZSQBXWKGMJPSLA-FGTMMUONSA-N 1 3 328.460 1.620 20 0 EDADHO C[C@@H](CCC[NH3+])NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418694885 446651687 /nfs/dbraw/zinc/65/16/87/446651687.db2.gz WPPCNDCXWFVAAI-HRCADAONSA-N 1 3 340.512 1.645 20 0 EDADHO C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418702717 446655320 /nfs/dbraw/zinc/65/53/20/446655320.db2.gz HHRNIYCAXZNDAC-LVQVYYBASA-N 1 3 340.512 1.643 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418737679 446660318 /nfs/dbraw/zinc/66/03/18/446660318.db2.gz YKZPPQVZEAUIGA-JYJNAYRXSA-N 1 3 326.485 1.256 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCCN1CCCOCC1 ZINC000368042754 446621415 /nfs/dbraw/zinc/62/14/15/446621415.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 1 3 325.497 1.188 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCCN1CCCOCC1 ZINC000368042754 446621422 /nfs/dbraw/zinc/62/14/22/446621422.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 1 3 325.497 1.188 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH3+])[C@H]3C)CC2)c1 ZINC000423646314 446623779 /nfs/dbraw/zinc/62/37/79/446623779.db2.gz LSUYEDUHKDERPB-SJLPKXTDSA-N 1 3 330.476 1.455 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000418774730 446693136 /nfs/dbraw/zinc/69/31/36/446693136.db2.gz VVTXTTJFZIEXFN-ZIAGYGMSSA-N 1 3 348.438 1.126 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284596 446865795 /nfs/dbraw/zinc/86/57/95/446865795.db2.gz DHEAFWZWNVTYJS-BRWVUGGUSA-N 1 3 335.492 1.620 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000419018009 446869669 /nfs/dbraw/zinc/86/96/69/446869669.db2.gz BICLFGVWELMAPM-HUUCEWRRSA-N 1 3 340.512 1.103 20 0 EDADHO N=C(NO)[C@H]1CCCCN1C/C=C/CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000368525540 446922017 /nfs/dbraw/zinc/92/20/17/446922017.db2.gz PGCWCIWTCXNDFT-QAMKJQMISA-N 1 3 338.456 1.164 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959988 /nfs/dbraw/zinc/95/99/88/446959988.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 1 3 338.496 1.080 20 0 EDADHO COCCN(C)CCCNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959993 /nfs/dbraw/zinc/95/99/93/446959993.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 1 3 338.496 1.080 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419175405 446990611 /nfs/dbraw/zinc/99/06/11/446990611.db2.gz XHXZBSWHPCTPEU-HNNXBMFYSA-N 1 3 340.512 1.201 20 0 EDADHO CN(CCN)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419278952 447052039 /nfs/dbraw/zinc/05/20/39/447052039.db2.gz BSHJQLWXZBIOIM-UHFFFAOYSA-N 1 3 346.475 1.096 20 0 EDADHO CC[NH+]1CCC(N2CCCN(Cc3cnc4cnccn34)CC2)CC1 ZINC000421383668 447145362 /nfs/dbraw/zinc/14/53/62/447145362.db2.gz ZXPAZXKTACIJLN-UHFFFAOYSA-N 1 3 342.491 1.721 20 0 EDADHO C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000455422489 447126202 /nfs/dbraw/zinc/12/62/02/447126202.db2.gz ADKSGEWDPNBYQU-NUEKZKHPSA-N 1 3 326.485 1.004 20 0 EDADHO CN1CCN(C[C@@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983706 447190874 /nfs/dbraw/zinc/19/08/74/447190874.db2.gz FNNBIAIYIUEWQW-MRXNPFEDSA-N 1 3 326.444 1.687 20 0 EDADHO C[NH+]1CCC(CNc2ccnc3ccccc32)(N2CCOCC2)CC1 ZINC000413480349 447195065 /nfs/dbraw/zinc/19/50/65/447195065.db2.gz LPAXXVOEZWGVGY-UHFFFAOYSA-N 1 3 340.471 1.865 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000377555553 447201550 /nfs/dbraw/zinc/20/15/50/447201550.db2.gz VBAHEVLCNMDSAH-UYSNPLJNSA-N 1 3 339.480 1.426 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419478378 447210908 /nfs/dbraw/zinc/21/09/08/447210908.db2.gz JJRLPJZKHCUVEY-HOTGVXAUSA-N 1 3 340.512 1.247 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000419478378 447210914 /nfs/dbraw/zinc/21/09/14/447210914.db2.gz JJRLPJZKHCUVEY-HOTGVXAUSA-N 1 3 340.512 1.247 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390894615 447504010 /nfs/dbraw/zinc/50/40/10/447504010.db2.gz MXAJWBVIQLVONS-OALUTQOASA-N 1 3 345.487 1.926 20 0 EDADHO CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])N[C@H](C)c1ccccc1 ZINC000420020535 447549986 /nfs/dbraw/zinc/54/99/86/447549986.db2.gz FRBPKKOXYZYBTM-ZMSDIMECSA-N 1 3 348.491 1.332 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104269 447557042 /nfs/dbraw/zinc/55/70/42/447557042.db2.gz AZMFDAIWHKFNCB-LPHOPBHVSA-N 1 3 345.487 1.782 20 0 EDADHO O=C(NCc1ccccc1CN1CCCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000416906097 447703793 /nfs/dbraw/zinc/70/37/93/447703793.db2.gz RYMRKJJLXBKGRA-MSOLQXFVSA-N 1 3 346.475 1.052 20 0 EDADHO C[C@H](NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422831884 447763781 /nfs/dbraw/zinc/76/37/81/447763781.db2.gz KCEILVDUHRLTCR-AZUAARDMSA-N 1 3 330.520 1.924 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422722710 447729034 /nfs/dbraw/zinc/72/90/34/447729034.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 1 3 331.504 1.908 20 0 EDADHO CC(C)[C@@H]([NH3+])CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000429186342 447734061 /nfs/dbraw/zinc/73/40/61/447734061.db2.gz WYMIVUIUJROXQK-SFHVURJKSA-N 1 3 332.492 1.688 20 0 EDADHO C[C@@H](CNC[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496229742 447745959 /nfs/dbraw/zinc/74/59/59/447745959.db2.gz SJENWJGWULAIIM-JKSUJKDBSA-N 1 3 343.512 1.926 20 0 EDADHO C[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CN1CCCCC1 ZINC000496229742 447745961 /nfs/dbraw/zinc/74/59/61/447745961.db2.gz SJENWJGWULAIIM-JKSUJKDBSA-N 1 3 343.512 1.926 20 0 EDADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000496291737 447753333 /nfs/dbraw/zinc/75/33/33/447753333.db2.gz GYMQFFBPBFREPX-ZNMIVQPWSA-N 1 3 329.485 1.677 20 0 EDADHO CN(C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811649 /nfs/dbraw/zinc/81/16/49/447811649.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 1 3 341.496 1.632 20 0 EDADHO CN(C[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811651 /nfs/dbraw/zinc/81/16/51/447811651.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 1 3 341.496 1.632 20 0 EDADHO CC(C)[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCN(C)CC1 ZINC000422963380 447782553 /nfs/dbraw/zinc/78/25/53/447782553.db2.gz IICBTSWWPWNULF-IHPCNDPISA-N 1 3 332.536 1.807 20 0 EDADHO CC(C)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCN(C)CC1 ZINC000422963380 447782557 /nfs/dbraw/zinc/78/25/57/447782557.db2.gz IICBTSWWPWNULF-IHPCNDPISA-N 1 3 332.536 1.807 20 0 EDADHO CCN1CCO[C@@H](CN[C@@H](CCC[NH3+])COC)[C@@H]1c1ccccc1 ZINC000423106102 447806114 /nfs/dbraw/zinc/80/61/14/447806114.db2.gz OGYVGPOVNQWJQU-FHWLQOOXSA-N 1 3 335.492 1.792 20 0 EDADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000497108796 447861165 /nfs/dbraw/zinc/86/11/65/447861165.db2.gz QEJHTYGNSUDTGO-DZGCQCFKSA-N 1 3 327.469 1.454 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](F)[C@@H](F)C3)CC2)CC1 ZINC000569707671 447873187 /nfs/dbraw/zinc/87/31/87/447873187.db2.gz IUNUHFCKDUVAHS-IYBDPMFKSA-N 1 3 329.435 1.701 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000575801816 447901192 /nfs/dbraw/zinc/90/11/92/447901192.db2.gz NCVHACPVKBICOY-OKZBNKHCSA-N 1 3 330.476 1.927 20 0 EDADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569989419 447931003 /nfs/dbraw/zinc/93/10/03/447931003.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 1 3 344.503 1.388 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569989419 447931006 /nfs/dbraw/zinc/93/10/06/447931006.db2.gz YTVAKLJFDVEEMD-QZTJIDSGSA-N 1 3 344.503 1.388 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000531059425 448011656 /nfs/dbraw/zinc/01/16/56/448011656.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(C)C1 ZINC000531059425 448011657 /nfs/dbraw/zinc/01/16/57/448011657.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 1 3 331.460 1.176 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000531061752 448011857 /nfs/dbraw/zinc/01/18/57/448011857.db2.gz ZKVSIQFNZBPGLF-FQEVSTJZSA-N 1 3 345.487 1.424 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CCSC1 ZINC000525837452 448037258 /nfs/dbraw/zinc/03/72/58/448037258.db2.gz MPZYOWVQOGBLMJ-INIZCTEOSA-N 1 3 328.526 1.549 20 0 EDADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292727 448054245 /nfs/dbraw/zinc/05/42/45/448054245.db2.gz DLIBLRQDPXPCFK-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531292727 448054250 /nfs/dbraw/zinc/05/42/50/448054250.db2.gz DLIBLRQDPXPCFK-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO CNC(=O)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721752 448054652 /nfs/dbraw/zinc/05/46/52/448054652.db2.gz CGDVIKPVXPEBDG-YCPHGPKFSA-N 1 3 337.439 1.456 20 0 EDADHO CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Cc1ccc(OC)c(F)c1 ZINC000570721752 448054660 /nfs/dbraw/zinc/05/46/60/448054660.db2.gz CGDVIKPVXPEBDG-YCPHGPKFSA-N 1 3 337.439 1.456 20 0 EDADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](c1ccccc1)N(C)C ZINC000570823932 448069820 /nfs/dbraw/zinc/06/98/20/448069820.db2.gz NZAMKSPOWHTWDG-MAUKXSAKSA-N 1 3 343.475 1.866 20 0 EDADHO CC(C)[C@H]1C[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000576921488 448169379 /nfs/dbraw/zinc/16/93/79/448169379.db2.gz AKQMZFKFYDEGTH-DLBZAZTESA-N 1 3 342.528 1.572 20 0 EDADHO C[NH+](C)CCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CC1 ZINC000571831459 448213017 /nfs/dbraw/zinc/21/30/17/448213017.db2.gz OSEPPLQMCJKXQN-KRWDZBQOSA-N 1 3 330.476 1.846 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCN(C4CC4)CC3)CC2)CC1 ZINC000577132265 448216914 /nfs/dbraw/zinc/21/69/14/448216914.db2.gz ICKVCOZIDDMXCK-UHFFFAOYSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000532230840 448218916 /nfs/dbraw/zinc/21/89/16/448218916.db2.gz IMTBNLAHINXRDJ-SJLPKXTDSA-N 1 3 332.492 1.338 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CN1C1CC1 ZINC000515504725 448324013 /nfs/dbraw/zinc/32/40/13/448324013.db2.gz DELDBAUTSSNORH-FRFSOERESA-N 1 3 337.533 1.945 20 0 EDADHO Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000591281835 448305201 /nfs/dbraw/zinc/30/52/01/448305201.db2.gz OATHNBYKDOGKQZ-MRXNPFEDSA-N 1 3 334.464 1.683 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000572388591 448366150 /nfs/dbraw/zinc/36/61/50/448366150.db2.gz KISSGZKACLFRCQ-MRXNPFEDSA-N 1 3 340.512 1.167 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CSC)CC1 ZINC000572631473 448428366 /nfs/dbraw/zinc/42/83/66/448428366.db2.gz UCUVDZYJLKPMTI-SFHVURJKSA-N 1 3 337.533 1.638 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@]3(C)CCOC3)CC2)CC1 ZINC000578337010 448522366 /nfs/dbraw/zinc/52/23/66/448522366.db2.gz WPAAQHVMFYSHTK-LJQANCHMSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225556 448556756 /nfs/dbraw/zinc/55/67/56/448556756.db2.gz NTDUHIUQADEAMV-MXSMSXNCSA-N 1 3 330.476 1.804 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000567111003 448615880 /nfs/dbraw/zinc/61/58/80/448615880.db2.gz DMFLOQIXDMHUIU-ZWKOTPCHSA-N 1 3 336.476 1.417 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000566981178 448596178 /nfs/dbraw/zinc/59/61/78/448596178.db2.gz ZYWNRHHXUSVSAG-HUUCEWRRSA-N 1 3 326.485 1.175 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CNCCO2)C1 ZINC000566981178 448596184 /nfs/dbraw/zinc/59/61/84/448596184.db2.gz ZYWNRHHXUSVSAG-HUUCEWRRSA-N 1 3 326.485 1.175 20 0 EDADHO CCNc1nc(NCC2CC[NH+](CC)CC2)nc(NC(C)(C)C)n1 ZINC000517602688 448599005 /nfs/dbraw/zinc/59/90/05/448599005.db2.gz LSOHIHPJKKZEEB-UHFFFAOYSA-N 1 3 335.500 1.501 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000573474373 448638049 /nfs/dbraw/zinc/63/80/49/448638049.db2.gz SMEOAHRHVBHOHM-SJLPKXTDSA-N 1 3 330.476 1.572 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662540 /nfs/dbraw/zinc/66/25/40/448662540.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 1 3 327.472 1.919 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662543 /nfs/dbraw/zinc/66/25/43/448662543.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 1 3 327.472 1.919 20 0 EDADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(CCOC)cc2)CC1 ZINC000567345635 448670519 /nfs/dbraw/zinc/67/05/19/448670519.db2.gz OGHCFQRYMWWDIW-SFHVURJKSA-N 1 3 336.476 1.689 20 0 EDADHO COC[C@]1(CNC(=O)NC[C@H]2N(C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786131 448710915 /nfs/dbraw/zinc/71/09/15/448710915.db2.gz AMRQRWLCJUVBSA-RHSMWYFYSA-N 1 3 326.485 1.175 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N2CCCC2)c1 ZINC000573785401 448710941 /nfs/dbraw/zinc/71/09/41/448710941.db2.gz VEXMXOFJURCLKK-XDNAFOTISA-N 1 3 344.459 1.349 20 0 EDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@H]1CN)c1ccccc1 ZINC000519635123 448807024 /nfs/dbraw/zinc/80/70/24/448807024.db2.gz UZEHVBGJQYSIHD-DOTOQJQBSA-N 1 3 347.507 1.400 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000579463907 448798980 /nfs/dbraw/zinc/79/89/80/448798980.db2.gz QXHMECZLLVTKNZ-JJIJKTDDSA-N 1 3 325.497 1.061 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1 ZINC000579463907 448798985 /nfs/dbraw/zinc/79/89/85/448798985.db2.gz QXHMECZLLVTKNZ-JJIJKTDDSA-N 1 3 325.497 1.061 20 0 EDADHO C[C@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N(C)C1CC1 ZINC000529309863 448816978 /nfs/dbraw/zinc/81/69/78/448816978.db2.gz YQZWDGPIFDWZAD-RHSMWYFYSA-N 1 3 338.496 1.269 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NCCN3CC=CCC3)CC2)CC1 ZINC000574291280 448838812 /nfs/dbraw/zinc/83/88/12/448838812.db2.gz DBXYWSAMYQKNSI-UHFFFAOYSA-N 1 3 348.535 1.561 20 0 EDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254772 448847596 /nfs/dbraw/zinc/84/75/96/448847596.db2.gz NHCGMTPLCMBLKN-HOCLYGCPSA-N 1 3 337.420 1.656 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](CO)C(C)C)CC2)CC1 ZINC000579728666 448867350 /nfs/dbraw/zinc/86/73/50/448867350.db2.gz BMUROQQKEABUIN-QGZVFWFLSA-N 1 3 339.524 1.563 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558639 448900771 /nfs/dbraw/zinc/90/07/71/448900771.db2.gz KWMIWUQAXHIRSM-LSDHHAIUSA-N 1 3 325.453 1.005 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC(F)(F)C1 ZINC000529604966 448904764 /nfs/dbraw/zinc/90/47/64/448904764.db2.gz IAGHQVOJKKEQDG-AWEZNQCLSA-N 1 3 331.451 1.806 20 0 EDADHO C/C=C\c1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000574782256 448955645 /nfs/dbraw/zinc/95/56/45/448955645.db2.gz VCSYETOAVCXOTP-SREVYHEPSA-N 1 3 346.475 1.610 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956851 449077686 /nfs/dbraw/zinc/07/76/86/449077686.db2.gz ZZQBHNWZYIXIGD-NVXWUHKLSA-N 1 3 341.459 1.752 20 0 EDADHO Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000522006498 449040081 /nfs/dbraw/zinc/04/00/81/449040081.db2.gz PJDRNMPBJIJOHX-AOIWGVFYSA-N 1 3 328.460 1.530 20 0 EDADHO Cn1nccc1[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000522006498 449040087 /nfs/dbraw/zinc/04/00/87/449040087.db2.gz PJDRNMPBJIJOHX-AOIWGVFYSA-N 1 3 328.460 1.530 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CN1Cc1ccccc1 ZINC000569578062 449047772 /nfs/dbraw/zinc/04/77/72/449047772.db2.gz GZSCRUKNFPJQOA-PVAVHDDUSA-N 1 3 332.448 1.019 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604654798 449269322 /nfs/dbraw/zinc/26/93/22/449269322.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000604654798 449269331 /nfs/dbraw/zinc/26/93/31/449269331.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3COC(C)(C)C3)CC2)CC1 ZINC000617046233 449443631 /nfs/dbraw/zinc/44/36/31/449443631.db2.gz GOAJLGOSSDVRTC-INIZCTEOSA-N 1 3 337.508 1.866 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685248 449504193 /nfs/dbraw/zinc/50/41/93/449504193.db2.gz FIQKSCMUNKEMEE-HOCLYGCPSA-N 1 3 326.485 1.127 20 0 EDADHO CCc1ccc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000607245581 449589128 /nfs/dbraw/zinc/58/91/28/449589128.db2.gz GFLBMYAZEZLWAQ-UHFFFAOYSA-N 1 3 334.508 1.926 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000617504856 449650728 /nfs/dbraw/zinc/65/07/28/449650728.db2.gz NAMCSCZSFOQQGN-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(-c2ccncc2)on1 ZINC000617504856 449650733 /nfs/dbraw/zinc/65/07/33/449650733.db2.gz NAMCSCZSFOQQGN-AWEZNQCLSA-N 1 3 345.447 1.738 20 0 EDADHO CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000617506554 449657228 /nfs/dbraw/zinc/65/72/28/449657228.db2.gz RZHOOKCXDZOEFH-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000617506554 449657230 /nfs/dbraw/zinc/65/72/30/449657230.db2.gz RZHOOKCXDZOEFH-YESZJQIVSA-N 1 3 327.513 1.970 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000612489438 449738332 /nfs/dbraw/zinc/73/83/32/449738332.db2.gz SUOUOLVVGKKJAQ-INIZCTEOSA-N 1 3 340.512 1.071 20 0 EDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000594940607 449814593 /nfs/dbraw/zinc/81/45/93/449814593.db2.gz PBXXODBRYGAZHK-ZOCIIQOWSA-N 1 3 346.471 1.931 20 0 EDADHO C[C@H](CSCCF)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000595052908 449850908 /nfs/dbraw/zinc/85/09/08/449850908.db2.gz SMFONZCUDHQEFO-OAHLLOKOSA-N 1 3 333.517 1.464 20 0 EDADHO COc1cccc([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)N2CCCC2)c1 ZINC000612862936 449915650 /nfs/dbraw/zinc/91/56/50/449915650.db2.gz RQCCCDVXFUEKGF-IEBWSBKVSA-N 1 3 346.475 1.883 20 0 EDADHO O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000612964250 449960240 /nfs/dbraw/zinc/96/02/40/449960240.db2.gz OWUROKVPZAADSY-SJORKVTESA-N 1 3 328.460 1.702 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965107 449960289 /nfs/dbraw/zinc/96/02/89/449960289.db2.gz XGYOQHSJZOHHHE-KRWDZBQOSA-N 1 3 330.476 1.902 20 0 EDADHO COC(=O)CN(C)C(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000595509721 450196071 /nfs/dbraw/zinc/19/60/71/450196071.db2.gz IESFOUNOWDJCOH-UHFFFAOYSA-N 1 3 347.459 1.262 20 0 EDADHO CN(C)CCOc1cccc(NC(=O)NCC2([NH3+])CCOCC2)c1 ZINC000625847159 450520469 /nfs/dbraw/zinc/52/04/69/450520469.db2.gz NKZJHOJMXVWVCX-UHFFFAOYSA-N 1 3 336.436 1.256 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621648418 450812308 /nfs/dbraw/zinc/81/23/08/450812308.db2.gz VUAANIZJGJTWCZ-HNNXBMFYSA-N 1 3 325.497 1.772 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635312710 450835634 /nfs/dbraw/zinc/83/56/34/450835634.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635312710 450835637 /nfs/dbraw/zinc/83/56/37/450835637.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 1 3 344.503 1.392 20 0 EDADHO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000624339526 450800078 /nfs/dbraw/zinc/80/00/78/450800078.db2.gz PYFJFHYTSAVVFI-PXNSSMCTSA-N 1 3 331.504 1.738 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCN2CC[C@H](O)C2)CC1 ZINC000624339526 450800081 /nfs/dbraw/zinc/80/00/81/450800081.db2.gz PYFJFHYTSAVVFI-PXNSSMCTSA-N 1 3 331.504 1.738 20 0 EDADHO NC(=O)c1cc(F)ccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000621778650 450864047 /nfs/dbraw/zinc/86/40/47/450864047.db2.gz SSVGRQAIAYQSRL-UHFFFAOYSA-N 1 3 348.466 1.826 20 0 EDADHO CN(C)CCCS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000631952535 450911515 /nfs/dbraw/zinc/91/15/15/450911515.db2.gz LJUJPSZPPDAAQE-CVEARBPZSA-N 1 3 343.468 1.224 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947210 451026335 /nfs/dbraw/zinc/02/63/35/451026335.db2.gz OSXUIZFPRITYHV-DOTOQJQBSA-N 1 3 334.464 1.439 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000626984776 451052267 /nfs/dbraw/zinc/05/22/67/451052267.db2.gz KSYIWOIPCHNYQG-QGZVFWFLSA-N 1 3 342.487 1.669 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3C)ccc2[nH]c1=O ZINC000635559840 451057348 /nfs/dbraw/zinc/05/73/48/451057348.db2.gz WAXCFUWJRAISDV-AWEZNQCLSA-N 1 3 345.447 1.128 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@@H]3CCC[N@H+]3C)ccc2[nH]c1=O ZINC000635559840 451057354 /nfs/dbraw/zinc/05/73/54/451057354.db2.gz WAXCFUWJRAISDV-AWEZNQCLSA-N 1 3 345.447 1.128 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000627157957 451154390 /nfs/dbraw/zinc/15/43/90/451154390.db2.gz FRBNLMFVAXSTTD-FGTMMUONSA-N 1 3 346.475 1.193 20 0 EDADHO O=C([C@H]1CCN1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000635694843 451176721 /nfs/dbraw/zinc/17/67/21/451176721.db2.gz OFTLBUKXRWYKMC-QZTJIDSGSA-N 1 3 335.492 1.717 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212706 /nfs/dbraw/zinc/21/27/06/451212706.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 1 3 345.487 1.327 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212710 /nfs/dbraw/zinc/21/27/10/451212710.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 1 3 345.487 1.327 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000635784114 451238264 /nfs/dbraw/zinc/23/82/64/451238264.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC000635784114 451238267 /nfs/dbraw/zinc/23/82/67/451238267.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 1 3 345.487 1.601 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000638083715 451247354 /nfs/dbraw/zinc/24/73/54/451247354.db2.gz BREDWIFNCXIBRP-GOSISDBHSA-N 1 3 330.476 1.153 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120741 451290527 /nfs/dbraw/zinc/29/05/27/451290527.db2.gz CCQRQUXESXHWAN-OALUTQOASA-N 1 3 344.503 1.390 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@]2(C)CNCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131533 451303216 /nfs/dbraw/zinc/30/32/16/451303216.db2.gz RHRQRWQKHPOONT-VQIMIIECSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@]2(C)CNCCO2)CC[N@H+]1Cc1ccccc1 ZINC000638131533 451303221 /nfs/dbraw/zinc/30/32/21/451303221.db2.gz RHRQRWQKHPOONT-VQIMIIECSA-N 1 3 331.460 1.488 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253116 451383008 /nfs/dbraw/zinc/38/30/08/451383008.db2.gz YUQHMTMSRGWVGI-CVEARBPZSA-N 1 3 333.480 1.297 20 0 EDADHO C[C@@H]1CN(C(C)(C)CNC2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000638319991 451430738 /nfs/dbraw/zinc/43/07/38/451430738.db2.gz VSAAGLANEZWNRS-IYBDPMFKSA-N 1 3 341.540 1.699 20 0 EDADHO O[C@@H](CNCc1ccc(C[NH+]2CCCC2)cc1)CC1(O)CCOCC1 ZINC000634639706 451431012 /nfs/dbraw/zinc/43/10/12/451431012.db2.gz NXTVKMFJTYVSEA-LJQANCHMSA-N 1 3 348.487 1.665 20 0 EDADHO [NH3+]C[C@@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367459 451464756 /nfs/dbraw/zinc/46/47/56/451464756.db2.gz OSHIZHWFOVRCEV-NSHGMRRFSA-N 1 3 343.471 1.475 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367796 451466661 /nfs/dbraw/zinc/46/66/61/451466661.db2.gz HLTFAFNTDLQNKK-SJORKVTESA-N 1 3 330.476 1.237 20 0 EDADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)CC1(O)CCOCC1 ZINC000634709098 451487379 /nfs/dbraw/zinc/48/73/79/451487379.db2.gz DEASXDMTCIVACC-SFHVURJKSA-N 1 3 349.475 1.180 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638400728 451490026 /nfs/dbraw/zinc/49/00/26/451490026.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638400728 451490031 /nfs/dbraw/zinc/49/00/31/451490031.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 1 3 344.503 1.579 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638402415 451490532 /nfs/dbraw/zinc/49/05/32/451490532.db2.gz MAVUATNSDXSSDW-LJQANCHMSA-N 1 3 333.520 1.984 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638402415 451490535 /nfs/dbraw/zinc/49/05/35/451490535.db2.gz MAVUATNSDXSSDW-LJQANCHMSA-N 1 3 333.520 1.984 20 0 EDADHO OCCCN1CCC[C@@H]1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634721246 451501019 /nfs/dbraw/zinc/50/10/19/451501019.db2.gz VRRKVPONFGJLKR-UXHICEINSA-N 1 3 347.503 1.060 20 0 EDADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000638458470 451525808 /nfs/dbraw/zinc/52/58/08/451525808.db2.gz DOERNFQMGNELFC-DOTOQJQBSA-N 1 3 336.524 1.582 20 0 EDADHO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000638505840 451550374 /nfs/dbraw/zinc/55/03/74/451550374.db2.gz OTQGSCBQQPWMHR-SJORKVTESA-N 1 3 328.460 1.694 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631064284 451562980 /nfs/dbraw/zinc/56/29/80/451562980.db2.gz QPJDFYYNVNJXQO-INIZCTEOSA-N 1 3 333.524 1.662 20 0 EDADHO COc1cc(C[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)ccn1 ZINC000638587164 451591681 /nfs/dbraw/zinc/59/16/81/451591681.db2.gz BCVJHANYHDWODS-WBVHZDCISA-N 1 3 332.492 1.779 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC3(C[NH3+])CCOCC3)cc2)CC1 ZINC000638635082 451623740 /nfs/dbraw/zinc/62/37/40/451623740.db2.gz ZKFFUFPIHHJFKO-UHFFFAOYSA-N 1 3 346.475 1.066 20 0 EDADHO Nc1ccc(-c2cccc(CNCCCN3CC[NH2+]CC3)n2)cc1 ZINC000634994793 451641544 /nfs/dbraw/zinc/64/15/44/451641544.db2.gz MTTRZZCKVBRPQT-UHFFFAOYSA-N 1 3 325.460 1.716 20 0 EDADHO C[C@H](CC(=O)Nc1cc(N2CCNCC2)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000638987686 451747742 /nfs/dbraw/zinc/74/77/42/451747742.db2.gz WIYKVOUZDPZRDC-HUUCEWRRSA-N 1 3 331.464 1.456 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641173934 451769313 /nfs/dbraw/zinc/76/93/13/451769313.db2.gz HCAVMXBWUQBBTF-IAGOWNOFSA-N 1 3 328.460 1.821 20 0 EDADHO CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000637265472 451774253 /nfs/dbraw/zinc/77/42/53/451774253.db2.gz QOOGRNVFGXOSMT-DOTOQJQBSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@@]1(O)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000637265472 451774255 /nfs/dbraw/zinc/77/42/55/451774255.db2.gz QOOGRNVFGXOSMT-DOTOQJQBSA-N 1 3 328.501 1.205 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000639345272 451838296 /nfs/dbraw/zinc/83/82/96/451838296.db2.gz GBWBRXWLHWNHQM-ZDUSSCGKSA-N 1 3 334.386 1.811 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)Cc2ccccc2)CC1 ZINC000644556808 451858179 /nfs/dbraw/zinc/85/81/79/451858179.db2.gz FPZUZBPTVWNIJC-SFHVURJKSA-N 1 3 333.476 1.122 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000637558255 451943507 /nfs/dbraw/zinc/94/35/07/451943507.db2.gz YLCBQJMJWACXSA-YESZJQIVSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000637558255 451943513 /nfs/dbraw/zinc/94/35/13/451943513.db2.gz YLCBQJMJWACXSA-YESZJQIVSA-N 1 3 340.512 1.469 20 0 EDADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(N)CCN(C)C2)CC1 ZINC000649288406 451962219 /nfs/dbraw/zinc/96/22/19/451962219.db2.gz OGJFNRKTFICJRF-FQEVSTJZSA-N 1 3 344.503 1.568 20 0 EDADHO COC[C@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000649288002 451963446 /nfs/dbraw/zinc/96/34/46/451963446.db2.gz YRZJPHWLYMWCQA-FQEVSTJZSA-N 1 3 345.487 1.578 20 0 EDADHO COC[C@]1(C(=O)NCc2cccc(OCCN(C)C)c2)CCC[NH2+]1 ZINC000649288791 451964453 /nfs/dbraw/zinc/96/44/53/451964453.db2.gz KARFJTSJOAXHJN-SFHVURJKSA-N 1 3 335.448 1.012 20 0 EDADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649293761 451969268 /nfs/dbraw/zinc/96/92/68/451969268.db2.gz IJHSEKJTUBBWGJ-MSOLQXFVSA-N 1 3 331.460 1.566 20 0 EDADHO COC[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000649295910 451971808 /nfs/dbraw/zinc/97/18/08/451971808.db2.gz FZJWDDSTXRDOKN-LJQANCHMSA-N 1 3 347.459 1.350 20 0 EDADHO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000649299465 451976440 /nfs/dbraw/zinc/97/64/40/451976440.db2.gz XPWMCNHOQKRRJR-CABCVRRESA-N 1 3 325.522 1.839 20 0 EDADHO Cc1ccc([C@H](CNC(=O)CN2CCCC[C@H](N)C2=O)[NH+](C)C)cc1 ZINC000649302951 451980168 /nfs/dbraw/zinc/98/01/68/451980168.db2.gz IQDOFNJNEYBRFB-IRXDYDNUSA-N 1 3 346.475 1.054 20 0 EDADHO COCCC1(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC[NH2+]CC1 ZINC000649309910 451987864 /nfs/dbraw/zinc/98/78/64/451987864.db2.gz JWOSSRSOBIGYQU-MRXNPFEDSA-N 1 3 325.497 1.629 20 0 EDADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@]3(N)CCN(C)C3)c2)CC1 ZINC000649310812 451988071 /nfs/dbraw/zinc/98/80/71/451988071.db2.gz DNAMVSMIHNAKCU-FQEVSTJZSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649323653 452003327 /nfs/dbraw/zinc/00/33/27/452003327.db2.gz MFOHWDXONRZZAJ-HNAYVOBHSA-N 1 3 330.476 1.361 20 0 EDADHO [NH3+]C1(CC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1 ZINC000649332226 452012653 /nfs/dbraw/zinc/01/26/53/452012653.db2.gz HXAUBTKQMZWZTD-UHFFFAOYSA-N 1 3 344.459 1.722 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000637712900 452037199 /nfs/dbraw/zinc/03/71/99/452037199.db2.gz SGBSSNIZPDRYQH-DLBZAZTESA-N 1 3 340.512 1.469 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799979 452088504 /nfs/dbraw/zinc/08/85/04/452088504.db2.gz UNXQBDXXXFCBKU-MJGOQNOKSA-N 1 3 333.476 1.941 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104648 452154161 /nfs/dbraw/zinc/15/41/61/452154161.db2.gz QSNRVVOKDBIXRS-INJPQVFBSA-N 1 3 335.492 1.510 20 0 EDADHO COc1cc(F)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1OC ZINC000651953096 452188666 /nfs/dbraw/zinc/18/86/66/452188666.db2.gz QQGPUTWFABYZOS-UHFFFAOYSA-N 1 3 339.455 1.960 20 0 EDADHO COc1cc(F)c(CNCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000651953096 452188672 /nfs/dbraw/zinc/18/86/72/452188672.db2.gz QQGPUTWFABYZOS-UHFFFAOYSA-N 1 3 339.455 1.960 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000645172728 452193082 /nfs/dbraw/zinc/19/30/82/452193082.db2.gz NEZNHMXMUGVOMW-JKSUJKDBSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000645172728 452193087 /nfs/dbraw/zinc/19/30/87/452193087.db2.gz NEZNHMXMUGVOMW-JKSUJKDBSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000645172727 452193180 /nfs/dbraw/zinc/19/31/80/452193180.db2.gz NEZNHMXMUGVOMW-HZPDHXFCSA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000645172727 452193185 /nfs/dbraw/zinc/19/31/85/452193185.db2.gz NEZNHMXMUGVOMW-HZPDHXFCSA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655470097 452263753 /nfs/dbraw/zinc/26/37/53/452263753.db2.gz JSNQEDDVGWWJEQ-HKUYNNGSSA-N 1 3 328.460 1.804 20 0 EDADHO [NH3+]C[C@H]1CN(Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545429 452275409 /nfs/dbraw/zinc/27/54/09/452275409.db2.gz FWOWVMMEHVNZGK-INIZCTEOSA-N 1 3 327.432 1.455 20 0 EDADHO NS(=O)(=O)c1ccc2c(c1)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536881 452301114 /nfs/dbraw/zinc/30/11/14/452301114.db2.gz XKWMHOBNZFRWRI-JKSUJKDBSA-N 1 3 335.473 1.443 20 0 EDADHO COc1ccc([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000638049787 452319187 /nfs/dbraw/zinc/31/91/87/452319187.db2.gz NRGDNIXWJHTTKM-FUHWJXTLSA-N 1 3 329.444 1.996 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000665763965 452348380 /nfs/dbraw/zinc/34/83/80/452348380.db2.gz QEJOGPVHNBAOIA-ZFWWWQNUSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@]1(C)CC1(F)F ZINC000665763965 452348392 /nfs/dbraw/zinc/34/83/92/452348392.db2.gz QEJOGPVHNBAOIA-ZFWWWQNUSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CCN1Cc1ccccc1 ZINC000659492770 452355513 /nfs/dbraw/zinc/35/55/13/452355513.db2.gz KFFINTJGTQGTSH-JGWYNZBZSA-N 1 3 328.460 1.701 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638062524 452358393 /nfs/dbraw/zinc/35/83/93/452358393.db2.gz FURGWJUTIRMSCF-FHLIZLRMSA-N 1 3 331.460 1.793 20 0 EDADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638062524 452358399 /nfs/dbraw/zinc/35/83/99/452358399.db2.gz FURGWJUTIRMSCF-FHLIZLRMSA-N 1 3 331.460 1.793 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000638070537 452377286 /nfs/dbraw/zinc/37/72/86/452377286.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 1 3 346.519 1.825 20 0 EDADHO C[C@H](CNC(=O)[C@H](N)CN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000638070537 452377289 /nfs/dbraw/zinc/37/72/89/452377289.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 1 3 346.519 1.825 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535856 452396515 /nfs/dbraw/zinc/39/65/15/452396515.db2.gz LGJGJSCBZQILNH-ZWKOTPCHSA-N 1 3 346.475 1.195 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645506909 452474154 /nfs/dbraw/zinc/47/41/54/452474154.db2.gz FTDWINJYWDGQFV-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645506909 452474166 /nfs/dbraw/zinc/47/41/66/452474166.db2.gz FTDWINJYWDGQFV-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCCN1CCO ZINC000655680960 452505600 /nfs/dbraw/zinc/50/56/00/452505600.db2.gz QSVPRIAZUOAZDW-JKSUJKDBSA-N 1 3 326.485 1.007 20 0 EDADHO CN1CCC2(CC1)CN(C(=O)NC1CCC([NH+](C)C)CC1)CCO2 ZINC000645554854 452523002 /nfs/dbraw/zinc/52/30/02/452523002.db2.gz ARXFPMSWWXQLPV-UHFFFAOYSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)CN(C(=O)CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361565 452542543 /nfs/dbraw/zinc/54/25/43/452542543.db2.gz KGQGEACELYOKCH-NXHRZFHOSA-N 1 3 337.508 1.994 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000659705988 452596599 /nfs/dbraw/zinc/59/65/99/452596599.db2.gz BHLWSEBNEYCRBD-HUUCEWRRSA-N 1 3 346.475 1.052 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000652486673 452680761 /nfs/dbraw/zinc/68/07/61/452680761.db2.gz SWYWPIHOAGSXQS-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000652486673 452680768 /nfs/dbraw/zinc/68/07/68/452680768.db2.gz SWYWPIHOAGSXQS-MRXNPFEDSA-N 1 3 340.512 1.022 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930961 452699862 /nfs/dbraw/zinc/69/98/62/452699862.db2.gz WBEQKSCCEMRHNU-STQMWFEESA-N 1 3 348.369 1.487 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000666238981 452708050 /nfs/dbraw/zinc/70/80/50/452708050.db2.gz LTURDRIOSJEGAD-UHFFFAOYSA-N 1 3 348.495 1.688 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658139078 452746079 /nfs/dbraw/zinc/74/60/79/452746079.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 1 3 329.488 1.826 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000655967591 452748178 /nfs/dbraw/zinc/74/81/78/452748178.db2.gz YFUZYJJEVXDRJM-QGZVFWFLSA-N 1 3 326.485 1.271 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770633 /nfs/dbraw/zinc/77/06/33/452770633.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 1 3 338.496 1.101 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770641 /nfs/dbraw/zinc/77/06/41/452770641.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 1 3 338.496 1.101 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078215 452772785 /nfs/dbraw/zinc/77/27/85/452772785.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167946 452878440 /nfs/dbraw/zinc/87/84/40/452878440.db2.gz JUCUUANELNCDTQ-PKOBYXMFSA-N 1 3 339.483 1.958 20 0 EDADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167946 452878452 /nfs/dbraw/zinc/87/84/52/452878452.db2.gz JUCUUANELNCDTQ-PKOBYXMFSA-N 1 3 339.483 1.958 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968811 /nfs/dbraw/zinc/96/88/11/452968811.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 1 3 343.471 1.440 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968816 /nfs/dbraw/zinc/96/88/16/452968816.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 1 3 343.471 1.440 20 0 EDADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650764714 452980224 /nfs/dbraw/zinc/98/02/24/452980224.db2.gz JXVXPMBEHWUSDG-YLFCFFPRSA-N 1 3 331.460 1.509 20 0 EDADHO CO[C@H](CN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280623 453004323 /nfs/dbraw/zinc/00/43/23/453004323.db2.gz GGXZAEUBZSOIRH-IXDOHACOSA-N 1 3 336.480 1.022 20 0 EDADHO CC[C@H](CC(F)F)CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280931 453005109 /nfs/dbraw/zinc/00/51/09/453005109.db2.gz IEUMPMYXNXYMAH-BPLDGKMQSA-N 1 3 344.450 1.888 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CN1C1CC1 ZINC000664367868 453037742 /nfs/dbraw/zinc/03/77/42/453037742.db2.gz MUXCXTDSYQDHHO-BFYDXBDKSA-N 1 3 338.496 1.364 20 0 EDADHO [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654972 453041334 /nfs/dbraw/zinc/04/13/34/453041334.db2.gz WCXMNRKKSQPHJK-OALUTQOASA-N 1 3 345.487 1.517 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000666701990 453079232 /nfs/dbraw/zinc/07/92/32/453079232.db2.gz WJIXYOYPVZYRGG-RHSMWYFYSA-N 1 3 335.423 1.476 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000666701990 453079239 /nfs/dbraw/zinc/07/92/39/453079239.db2.gz WJIXYOYPVZYRGG-RHSMWYFYSA-N 1 3 335.423 1.476 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165789 453095712 /nfs/dbraw/zinc/09/57/12/453095712.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165789 453095723 /nfs/dbraw/zinc/09/57/23/453095723.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)N1CCN(C)CC1 ZINC000646108898 453112917 /nfs/dbraw/zinc/11/29/17/453112917.db2.gz ZZGMYXTYMKDPIA-SJLPKXTDSA-N 1 3 338.540 1.400 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000666759494 453123595 /nfs/dbraw/zinc/12/35/95/453123595.db2.gz GCYBTQFFFNHUAL-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662463316 453172873 /nfs/dbraw/zinc/17/28/73/453172873.db2.gz YDRCICNTKKZWDY-PKOBYXMFSA-N 1 3 342.487 1.459 20 0 EDADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)C1 ZINC000662463316 453172880 /nfs/dbraw/zinc/17/28/80/453172880.db2.gz YDRCICNTKKZWDY-PKOBYXMFSA-N 1 3 342.487 1.459 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000648643940 453179147 /nfs/dbraw/zinc/17/91/47/453179147.db2.gz WBPKSPQNWDQFIB-GOSISDBHSA-N 1 3 335.492 1.563 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000648643943 453179245 /nfs/dbraw/zinc/17/92/45/453179245.db2.gz WBPKSPQNWDQFIB-SFHVURJKSA-N 1 3 335.492 1.563 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000664621959 453256907 /nfs/dbraw/zinc/25/69/07/453256907.db2.gz NTNFAQMIGBKQEF-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCCO1 ZINC000664621959 453256913 /nfs/dbraw/zinc/25/69/13/453256913.db2.gz NTNFAQMIGBKQEF-HOTGVXAUSA-N 1 3 328.501 1.517 20 0 EDADHO CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000653110067 453296276 /nfs/dbraw/zinc/29/62/76/453296276.db2.gz WUHRXTWPULNCGO-QZTJIDSGSA-N 1 3 332.492 1.219 20 0 EDADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000667041712 453357573 /nfs/dbraw/zinc/35/75/73/453357573.db2.gz LCQRFFJFCVHSRV-HKUYNNGSSA-N 1 3 341.459 1.986 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000667045979 453361467 /nfs/dbraw/zinc/36/14/67/453361467.db2.gz KSFIIKBJMUAFQO-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658401 453371132 /nfs/dbraw/zinc/37/11/32/453371132.db2.gz FEHMEAJXMCMBHJ-GGPKGHCWSA-N 1 3 327.472 1.761 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000662661166 453375302 /nfs/dbraw/zinc/37/53/02/453375302.db2.gz LSJNVTZAJRYWOI-SFHVURJKSA-N 1 3 345.487 1.530 20 0 EDADHO CN1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@H](CN)C1 ZINC000667083145 453394632 /nfs/dbraw/zinc/39/46/32/453394632.db2.gz NPNXDCKAZDUROR-MRXNPFEDSA-N 1 3 349.479 1.124 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nscc1Br ZINC000651263945 453406981 /nfs/dbraw/zinc/40/69/81/453406981.db2.gz VFKVIENFHKFTJK-UHFFFAOYSA-N 1 3 349.298 1.471 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000664799293 453411311 /nfs/dbraw/zinc/41/13/11/453411311.db2.gz PLKYYEHQPAYUDG-KBPBESRZSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCC(F)(F)C1 ZINC000664799293 453411316 /nfs/dbraw/zinc/41/13/16/453411316.db2.gz PLKYYEHQPAYUDG-KBPBESRZSA-N 1 3 334.455 1.993 20 0 EDADHO CCc1ccnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000664806109 453417502 /nfs/dbraw/zinc/41/75/02/453417502.db2.gz BPLOIYDZGVPQCF-HNNXBMFYSA-N 1 3 335.496 1.715 20 0 EDADHO CCc1ccnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000664806109 453417505 /nfs/dbraw/zinc/41/75/05/453417505.db2.gz BPLOIYDZGVPQCF-HNNXBMFYSA-N 1 3 335.496 1.715 20 0 EDADHO [NH3+]C[C@H](C(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709518 453432657 /nfs/dbraw/zinc/43/26/57/453432657.db2.gz SLXRCDLAQUQZOL-SJORKVTESA-N 1 3 335.423 1.238 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662733461 453459658 /nfs/dbraw/zinc/45/96/58/453459658.db2.gz KMHXTEFNOBBNCC-LSDHHAIUSA-N 1 3 334.468 1.197 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662756053 453492305 /nfs/dbraw/zinc/49/23/05/453492305.db2.gz HGEJLNHBTTTZOS-HNNXBMFYSA-N 1 3 330.476 1.088 20 0 EDADHO CC(C)N1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662786518 453521086 /nfs/dbraw/zinc/52/10/86/453521086.db2.gz VIKAZZZUZTYVBY-OAHLLOKOSA-N 1 3 334.468 1.195 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)n1 ZINC000667332713 453565381 /nfs/dbraw/zinc/56/53/81/453565381.db2.gz JYRLHLDYDNEJNE-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)n1 ZINC000667332713 453565384 /nfs/dbraw/zinc/56/53/84/453565384.db2.gz JYRLHLDYDNEJNE-HNNXBMFYSA-N 1 3 349.479 1.970 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000662860514 453574880 /nfs/dbraw/zinc/57/48/80/453574880.db2.gz SCQHQRIIYCHPIE-MSOLQXFVSA-N 1 3 331.460 1.259 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662859805 453574895 /nfs/dbraw/zinc/57/48/95/453574895.db2.gz OTVLUWSVSMTHOR-ZWKOTPCHSA-N 1 3 331.460 1.402 20 0 EDADHO O=C(NCc1ccc(CN2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860516 453575208 /nfs/dbraw/zinc/57/52/08/453575208.db2.gz SCQHQRIIYCHPIE-ROUUACIJSA-N 1 3 331.460 1.259 20 0 EDADHO [NH3+]CCc1nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cs1 ZINC000662885960 453587812 /nfs/dbraw/zinc/58/78/12/453587812.db2.gz XTUHVFZXSCTCJX-CQSZACIVSA-N 1 3 332.429 1.558 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899814 453594042 /nfs/dbraw/zinc/59/40/42/453594042.db2.gz HDXOLMGCNSZIAR-IEBWSBKVSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899814 453594045 /nfs/dbraw/zinc/59/40/45/453594045.db2.gz HDXOLMGCNSZIAR-IEBWSBKVSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccccc1[C@@H](N)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899814 453594046 /nfs/dbraw/zinc/59/40/46/453594046.db2.gz HDXOLMGCNSZIAR-IEBWSBKVSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901315 453595348 /nfs/dbraw/zinc/59/53/48/453595348.db2.gz VKHMYHAKDYELDF-RBUKOAKNSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901315 453595349 /nfs/dbraw/zinc/59/53/49/453595349.db2.gz VKHMYHAKDYELDF-RBUKOAKNSA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@@H](N)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662901315 453595353 /nfs/dbraw/zinc/59/53/53/453595353.db2.gz VKHMYHAKDYELDF-RBUKOAKNSA-N 1 3 344.503 1.622 20 0 EDADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255579 453626645 /nfs/dbraw/zinc/62/66/45/453626645.db2.gz XBIXRJANDRVRLU-JZGRTCEGSA-N 1 3 333.476 1.497 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@@H]2COCCN2)cc1 ZINC000665255579 453626650 /nfs/dbraw/zinc/62/66/50/453626650.db2.gz XBIXRJANDRVRLU-JZGRTCEGSA-N 1 3 333.476 1.497 20 0 EDADHO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3c(s2)CCNC3)CCO1 ZINC000662973141 453631061 /nfs/dbraw/zinc/63/10/61/453631061.db2.gz OKKZVQDKZHPSML-CQSZACIVSA-N 1 3 337.489 1.577 20 0 EDADHO CC(C)NCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000659288105 453703209 /nfs/dbraw/zinc/70/32/09/453703209.db2.gz AAUTXJXJBCKPEV-UHFFFAOYSA-N 1 3 346.475 1.363 20 0 EDADHO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCCN2CCN(C(C)C)CC2)C1 ZINC000661216434 453762635 /nfs/dbraw/zinc/76/26/35/453762635.db2.gz RKYCCIPYWSXJJS-QRVBRYPASA-N 1 3 341.540 1.558 20 0 EDADHO c1nc2n(c1CNCc1cccc(CN3CCOCC3)c1)CCC2 ZINC000657315215 453764447 /nfs/dbraw/zinc/76/44/47/453764447.db2.gz OGUUHRZSZWGKPI-UHFFFAOYSA-N 1 3 326.444 1.951 20 0 EDADHO CN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000663444633 453800983 /nfs/dbraw/zinc/80/09/83/453800983.db2.gz CQVJJRIEQVJYCM-SFHVURJKSA-N 1 3 346.475 1.147 20 0 EDADHO CN1CCC(NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000663444633 453800985 /nfs/dbraw/zinc/80/09/85/453800985.db2.gz CQVJJRIEQVJYCM-SFHVURJKSA-N 1 3 346.475 1.147 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(OC)cc2OC)CC1 ZINC000663501848 453811500 /nfs/dbraw/zinc/81/15/00/453811500.db2.gz BGECJJOOZHVVDJ-UHFFFAOYSA-N 1 3 349.475 1.784 20 0 EDADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOC2(CNC2)C1 ZINC000663512946 453813664 /nfs/dbraw/zinc/81/36/64/453813664.db2.gz LDDOKCOZKNTUJH-UHFFFAOYSA-N 1 3 331.460 1.335 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233075 486726228 /nfs/dbraw/zinc/72/62/28/486726228.db2.gz FDIPUSNDMUTJNA-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233075 486726229 /nfs/dbraw/zinc/72/62/29/486726229.db2.gz FDIPUSNDMUTJNA-OAHLLOKOSA-N 1 3 349.479 1.970 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000672740147 486786385 /nfs/dbraw/zinc/78/63/85/486786385.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 1 3 337.508 1.964 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000672740147 486786388 /nfs/dbraw/zinc/78/63/88/486786388.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 1 3 337.508 1.964 20 0 EDADHO COC1CCN(CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000667963328 487036719 /nfs/dbraw/zinc/03/67/19/487036719.db2.gz LVJKIBFTNULMDM-GOSISDBHSA-N 1 3 333.476 1.906 20 0 EDADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)cc1 ZINC000677944675 487208290 /nfs/dbraw/zinc/20/82/90/487208290.db2.gz SKFJXHBPYXEVAP-SFHVURJKSA-N 1 3 346.475 1.346 20 0 EDADHO COCC(=O)NC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678183380 487262661 /nfs/dbraw/zinc/26/26/61/487262661.db2.gz MAHLIPLDMNSUDP-UHFFFAOYSA-N 1 3 349.475 1.354 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C ZINC000674745698 487308063 /nfs/dbraw/zinc/30/80/63/487308063.db2.gz WWKSDCBXXVQUHA-ZBFHGGJFSA-N 1 3 336.484 1.781 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C ZINC000674745698 487308067 /nfs/dbraw/zinc/30/80/67/487308067.db2.gz WWKSDCBXXVQUHA-ZBFHGGJFSA-N 1 3 336.484 1.781 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505773 487322479 /nfs/dbraw/zinc/32/24/79/487322479.db2.gz CMJUWAKCXMQTCV-MRXNPFEDSA-N 1 3 331.464 1.691 20 0 EDADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675575030 487424749 /nfs/dbraw/zinc/42/47/49/487424749.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO CN(C(=O)N[C@@H]1CCCN(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675575030 487424752 /nfs/dbraw/zinc/42/47/52/487424752.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 1 3 330.476 1.997 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669556092 485558635 /nfs/dbraw/zinc/55/86/35/485558635.db2.gz FHVXRHSRQYOLJL-MSOLQXFVSA-N 1 3 346.475 1.195 20 0 EDADHO O=C(NC[C@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573734 485605526 /nfs/dbraw/zinc/60/55/26/485605526.db2.gz CHSIWPFSBGATFR-QZTJIDSGSA-N 1 3 330.476 1.950 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000673770740 485722434 /nfs/dbraw/zinc/72/24/34/485722434.db2.gz DNWIRFLHTWPFPA-JKSUJKDBSA-N 1 3 326.485 1.223 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669312789 485959552 /nfs/dbraw/zinc/95/95/52/485959552.db2.gz UZURHOJCECMJBU-GOSISDBHSA-N 1 3 330.476 1.876 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405730 486077511 /nfs/dbraw/zinc/07/75/11/486077511.db2.gz XGTBPEWVSZMSJV-LAQRGFTBSA-N 1 3 346.475 1.580 20 0 EDADHO O=C(NC[C@H]1CNCCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420293 486140146 /nfs/dbraw/zinc/14/01/46/486140146.db2.gz IANVRNRIEUDHBJ-ZWKOTPCHSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NC[C@H]1CNCCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000669420293 486140155 /nfs/dbraw/zinc/14/01/55/486140155.db2.gz IANVRNRIEUDHBJ-ZWKOTPCHSA-N 1 3 346.475 1.186 20 0 EDADHO O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420548 486141019 /nfs/dbraw/zinc/14/10/19/486141019.db2.gz PFSUKFUCZAPCLC-KRWDZBQOSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669426360 486148290 /nfs/dbraw/zinc/14/82/90/486148290.db2.gz XBRCZZBQHFRIAS-UHFFFAOYSA-N 1 3 334.464 1.650 20 0 EDADHO CCOc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc1C ZINC000668141109 486175824 /nfs/dbraw/zinc/17/58/24/486175824.db2.gz VUOAVLLTOZHAAD-UHFFFAOYSA-N 1 3 337.468 1.746 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669469594 486221090 /nfs/dbraw/zinc/22/10/90/486221090.db2.gz ZTNVQBGWMCDMBX-ZBFHGGJFSA-N 1 3 338.496 1.269 20 0 EDADHO COC1CCN(CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000080056753 491170614 /nfs/dbraw/zinc/17/06/14/491170614.db2.gz GOIGWXFDPLTMTD-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000168750209 534326170 /nfs/dbraw/zinc/32/61/70/534326170.db2.gz CNGWRNJXXXHWHS-HNNXBMFYSA-N 1 3 330.432 1.060 20 0 EDADHO CC(C)(C)OC1CC([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000352784187 534964934 /nfs/dbraw/zinc/96/49/34/534964934.db2.gz RLTNIJYKBXAART-UHFFFAOYSA-N 1 3 327.513 1.312 20 0 EDADHO CC(C)[C@H](CNC(=O)C(=O)N(C)CCN(C)C)[NH+]1CCCCCC1 ZINC000339989561 534993250 /nfs/dbraw/zinc/99/32/50/534993250.db2.gz NNIJPYMSRCUHAC-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000346870564 535264062 /nfs/dbraw/zinc/26/40/62/535264062.db2.gz WVIHBTVPCYIULO-IRXDYDNUSA-N 1 3 340.512 1.611 20 0 EDADHO CC(C)OCCCNC(=O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346814047 535325692 /nfs/dbraw/zinc/32/56/92/535325692.db2.gz BJRCWJXFVZDZTQ-INIZCTEOSA-N 1 3 325.497 1.629 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236860674 535745015 /nfs/dbraw/zinc/74/50/15/535745015.db2.gz VXWYMNKBGZSDQG-JWTNVVGKSA-N 1 3 342.487 1.841 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717679 535849608 /nfs/dbraw/zinc/84/96/08/535849608.db2.gz WPBDAJAWCMYTJA-YSVLISHTSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717679 535849615 /nfs/dbraw/zinc/84/96/15/535849615.db2.gz WPBDAJAWCMYTJA-YSVLISHTSA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717676 535850231 /nfs/dbraw/zinc/85/02/31/535850231.db2.gz WPBDAJAWCMYTJA-JLJPHGGASA-N 1 3 346.475 1.696 20 0 EDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717676 535850233 /nfs/dbraw/zinc/85/02/33/535850233.db2.gz WPBDAJAWCMYTJA-JLJPHGGASA-N 1 3 346.475 1.696 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000236991038 535933814 /nfs/dbraw/zinc/93/38/14/535933814.db2.gz UTFGMWXCRGIZRJ-KRWDZBQOSA-N 1 3 332.404 1.094 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270530036 536334454 /nfs/dbraw/zinc/33/44/54/536334454.db2.gz AZMBOOIWYSPBDJ-RBUKOAKNSA-N 1 3 345.487 1.327 20 0 EDADHO CCN1CCN([C@H](C)CNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727075855 578515780 /nfs/dbraw/zinc/51/57/80/578515780.db2.gz NDNGRLDAAJGWPA-OAHLLOKOSA-N 1 3 343.585 1.064 20 0 EDADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729618651 578585009 /nfs/dbraw/zinc/58/50/09/578585009.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000729618651 578585010 /nfs/dbraw/zinc/58/50/10/578585010.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 1 3 338.496 1.365 20 0 EDADHO COC1CC[NH+](C2(CNC(=S)NCCN(C)C)CCCC2)CC1 ZINC000730737908 578656619 /nfs/dbraw/zinc/65/66/19/578656619.db2.gz SZBRIWACCQRMPS-UHFFFAOYSA-N 1 3 342.553 1.436 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760481833 580031749 /nfs/dbraw/zinc/03/17/49/580031749.db2.gz FRODXKJDSBUVQM-UHFFFAOYSA-N 1 3 349.548 1.662 20 0 EDADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155960 580050029 /nfs/dbraw/zinc/05/00/29/580050029.db2.gz NBUAULKCCJXWFE-ZDUSSCGKSA-N 1 3 331.551 1.667 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCC(F)(F)F ZINC000751011825 579791283 /nfs/dbraw/zinc/79/12/83/579791283.db2.gz OZWMQWCTTXSTRA-LBPRGKRZSA-N 1 3 340.459 1.771 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCC(F)(F)F ZINC000751011825 579791285 /nfs/dbraw/zinc/79/12/85/579791285.db2.gz OZWMQWCTTXSTRA-LBPRGKRZSA-N 1 3 340.459 1.771 20 0 EDADHO Cn1c(Cl)nc(Cl)c1CNCCCN1CCC[N@H+](C)CC1 ZINC000752262484 579843602 /nfs/dbraw/zinc/84/36/02/579843602.db2.gz QQWRBZALEWLVPC-UHFFFAOYSA-N 1 3 334.295 1.844 20 0 EDADHO Cn1c(Cl)nc(Cl)c1CNCCCN1CCC[N@@H+](C)CC1 ZINC000752262484 579843603 /nfs/dbraw/zinc/84/36/03/579843603.db2.gz QQWRBZALEWLVPC-UHFFFAOYSA-N 1 3 334.295 1.844 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc(Br)c1 ZINC000758222602 579977382 /nfs/dbraw/zinc/97/73/82/579977382.db2.gz KPMGHMSWGIHECA-UHFFFAOYSA-N 1 3 343.269 1.410 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000766124388 580159710 /nfs/dbraw/zinc/15/97/10/580159710.db2.gz XBZGPTOUHYPMOY-OAHLLOKOSA-N 1 3 331.460 1.921 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCC(=O)C2CC2)CC1 ZINC000767395655 580188378 /nfs/dbraw/zinc/18/83/78/580188378.db2.gz HELZKLDRUOAXMT-UHFFFAOYSA-N 1 3 337.508 1.772 20 0 EDADHO CCN(CCO)CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769514680 580238899 /nfs/dbraw/zinc/23/88/99/580238899.db2.gz ATXBISYIGCPUCD-UHFFFAOYSA-N 1 3 340.512 1.397 20 0 EDADHO CC(C)(CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290967 580766139 /nfs/dbraw/zinc/76/61/39/580766139.db2.gz RJPMLMMVNITIPM-HOTGVXAUSA-N 1 3 338.496 1.271 20 0 EDADHO [NH3+][C@H](CCNC(=O)N[C@H]1CNCCC1(F)F)Cc1ccccc1 ZINC000892157513 590829248 /nfs/dbraw/zinc/82/92/48/590829248.db2.gz UDIDWIKRACVMBQ-KGLIPLIRSA-N 1 3 326.391 1.243 20 0 EDADHO CN(C)CCOC1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892494321 591048742 /nfs/dbraw/zinc/04/87/42/591048742.db2.gz BPKKUCDFDNEILX-OAHLLOKOSA-N 1 3 340.512 1.517 20 0 EDADHO C[NH+]1CCC(CN2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000891489160 591091490 /nfs/dbraw/zinc/09/14/90/591091490.db2.gz GUDWZPLZEBBWNX-UHFFFAOYSA-N 1 3 345.487 1.917 20 0 EDADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892611676 591095455 /nfs/dbraw/zinc/09/54/55/591095455.db2.gz ZFNOOECLLDMBIC-GDBMZVCRSA-N 1 3 340.489 1.540 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000891535533 591111335 /nfs/dbraw/zinc/11/13/35/591111335.db2.gz UFTZPJIVZVGLLK-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000891535533 591111341 /nfs/dbraw/zinc/11/13/41/591111341.db2.gz UFTZPJIVZVGLLK-FUHWJXTLSA-N 1 3 332.492 1.943 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538124 591113206 /nfs/dbraw/zinc/11/32/06/591113206.db2.gz QFKFTJPKXTWEGS-AEFFLSMTSA-N 1 3 338.496 1.272 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576707 591133236 /nfs/dbraw/zinc/13/32/36/591133236.db2.gz NMGJJFXLAHWTQW-CVEARBPZSA-N 1 3 338.496 1.319 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755189 591163368 /nfs/dbraw/zinc/16/33/68/591163368.db2.gz FZIIEEKIODJWSB-CVEARBPZSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CN1C1CC1 ZINC000891658959 591172053 /nfs/dbraw/zinc/17/20/53/591172053.db2.gz BXRYEWCSQDWTFA-BLFANLJRSA-N 1 3 334.386 1.390 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000891728351 591201138 /nfs/dbraw/zinc/20/11/38/591201138.db2.gz XFMLNDDKMNELGC-INIZCTEOSA-N 1 3 349.479 1.435 20 0 EDADHO COC(=O)[C@H]1[C@H](CNCc2cccc(OCC[NH+](C)C)c2)C1(F)F ZINC000894189862 591220359 /nfs/dbraw/zinc/22/03/59/591220359.db2.gz FSQXBNHAYPMEBF-LSDHHAIUSA-N 1 3 342.386 1.771 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000895666852 591247284 /nfs/dbraw/zinc/24/72/84/591247284.db2.gz SOKVMBNGCIZFSE-UXLLHSPISA-N 1 3 342.553 1.653 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H]2CSC[C@]2(C)C1 ZINC000895666852 591247286 /nfs/dbraw/zinc/24/72/86/591247286.db2.gz SOKVMBNGCIZFSE-UXLLHSPISA-N 1 3 342.553 1.653 20 0 EDADHO Cn1cc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c(C2CC2)n1 ZINC000894458721 591317015 /nfs/dbraw/zinc/31/70/15/591317015.db2.gz YCEXPNKBAPPFLM-UHFFFAOYSA-N 1 3 331.508 1.757 20 0 EDADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454957 591317163 /nfs/dbraw/zinc/31/71/63/591317163.db2.gz CQNAORGGLZFKQS-CABCVRRESA-N 1 3 331.526 1.366 20 0 EDADHO COc1nccc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000894459261 591317664 /nfs/dbraw/zinc/31/76/64/591317664.db2.gz GGXWQABUXNLHDC-MRXNPFEDSA-N 1 3 336.455 1.830 20 0 EDADHO COCCN(C)CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729612084 591560039 /nfs/dbraw/zinc/56/00/39/591560039.db2.gz USAMNBGHNFJKHF-UHFFFAOYSA-N 1 3 336.480 1.468 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560291 /nfs/dbraw/zinc/56/02/91/591560291.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NCC[N@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560293 /nfs/dbraw/zinc/56/02/93/591560293.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897101559 591740181 /nfs/dbraw/zinc/74/01/81/591740181.db2.gz ONVKCKIADFVGMA-MRXNPFEDSA-N 1 3 337.508 1.581 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2CN(C3CCOCC3)C2)C1 ZINC000897101559 591740182 /nfs/dbraw/zinc/74/01/82/591740182.db2.gz ONVKCKIADFVGMA-MRXNPFEDSA-N 1 3 337.508 1.581 20 0 EDADHO C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)N1CCCCCC1 ZINC000898118648 591788084 /nfs/dbraw/zinc/78/80/84/591788084.db2.gz QUWZLOODCBVYMO-MRXNPFEDSA-N 1 3 337.508 1.604 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900191880 591935134 /nfs/dbraw/zinc/93/51/34/591935134.db2.gz JEWPPHGSKXLFSX-UHFFFAOYSA-N 1 3 332.448 1.989 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC000900191880 591935135 /nfs/dbraw/zinc/93/51/35/591935135.db2.gz JEWPPHGSKXLFSX-UHFFFAOYSA-N 1 3 332.448 1.989 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900229968 591957385 /nfs/dbraw/zinc/95/73/85/591957385.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 1 3 347.503 1.990 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000900229968 591957387 /nfs/dbraw/zinc/95/73/87/591957387.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 1 3 347.503 1.990 20 0 EDADHO CC[NH+](CC)CCOc1cccc(N2C(=O)N[C@H](CN(C)C)C2=O)c1 ZINC000900281977 591970277 /nfs/dbraw/zinc/97/02/77/591970277.db2.gz LHKRHWFUCUJNKT-MRXNPFEDSA-N 1 3 348.447 1.394 20 0 EDADHO CC1(C)CNCC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000902337722 591980685 /nfs/dbraw/zinc/98/06/85/591980685.db2.gz SAESZTBUTIUSFS-QGZVFWFLSA-N 1 3 346.523 1.357 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000902337722 591980686 /nfs/dbraw/zinc/98/06/86/591980686.db2.gz SAESZTBUTIUSFS-QGZVFWFLSA-N 1 3 346.523 1.357 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400233 591990875 /nfs/dbraw/zinc/99/08/75/591990875.db2.gz YXOKHBQWCLSERR-ZWKOTPCHSA-N 1 3 332.492 1.650 20 0 EDADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnn1CCN(C)C ZINC000900354170 591993305 /nfs/dbraw/zinc/99/33/05/591993305.db2.gz UXXIPUPRAJCPDI-OAGGEKHMSA-N 1 3 335.496 1.541 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900429338 592016095 /nfs/dbraw/zinc/01/60/95/592016095.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 1 3 337.508 1.697 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900429338 592016096 /nfs/dbraw/zinc/01/60/96/592016096.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 1 3 337.508 1.697 20 0 EDADHO CN(C)CCn1nccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000900455868 592022982 /nfs/dbraw/zinc/02/29/82/592022982.db2.gz FLHJUGMRFCZXSH-UHFFFAOYSA-N 1 3 345.447 1.637 20 0 EDADHO CN(C)CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900660897 592083898 /nfs/dbraw/zinc/08/38/98/592083898.db2.gz XOOWGXGJMDHLJS-GOSISDBHSA-N 1 3 325.497 1.556 20 0 EDADHO CN(C)CCN(C(=O)C[C@]1(O)CCC[N@@H+](C)C1)C1CCCCC1 ZINC000900660897 592083901 /nfs/dbraw/zinc/08/39/01/592083901.db2.gz XOOWGXGJMDHLJS-GOSISDBHSA-N 1 3 325.497 1.556 20 0 EDADHO CC1CCC(N2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)CC1 ZINC000900732355 592112064 /nfs/dbraw/zinc/11/20/64/592112064.db2.gz RZWLLUPVKFDVPF-UHFFFAOYSA-N 1 3 347.507 1.781 20 0 EDADHO C[NH+](C)CC[C@@H](NC1CCN([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000903377660 592163695 /nfs/dbraw/zinc/16/36/95/592163695.db2.gz MYCKEEKNVFXSJG-RTBURBONSA-N 1 3 332.492 1.917 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cc1c[nH]cn1 ZINC000900972863 592182190 /nfs/dbraw/zinc/18/21/90/592182190.db2.gz CLKFSHNYWLRVRQ-UHFFFAOYSA-N 1 3 347.507 1.607 20 0 EDADHO CO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903508904 592189430 /nfs/dbraw/zinc/18/94/30/592189430.db2.gz ZFFHNBXCBMWKKY-YUELXQCFSA-N 1 3 335.452 1.178 20 0 EDADHO CO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903508904 592189431 /nfs/dbraw/zinc/18/94/31/592189431.db2.gz ZFFHNBXCBMWKKY-YUELXQCFSA-N 1 3 335.452 1.178 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000900978936 592191490 /nfs/dbraw/zinc/19/14/90/592191490.db2.gz MFDZTPAOAKEBMT-TVPLGVNVSA-N 1 3 337.508 1.747 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)N(C)C1CC1 ZINC000906649774 592233756 /nfs/dbraw/zinc/23/37/56/592233756.db2.gz GZQKJBPABGWTEX-GFCCVEGCSA-N 1 3 332.448 1.418 20 0 EDADHO CN1CCN(C)CC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000906656496 592238447 /nfs/dbraw/zinc/23/84/47/592238447.db2.gz PUYBQIOFWFAUOE-UHFFFAOYSA-N 1 3 348.491 1.449 20 0 EDADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665558 592247817 /nfs/dbraw/zinc/24/78/17/592247817.db2.gz ZECRFUQGLGDOII-CZUORRHYSA-N 1 3 346.475 1.618 20 0 EDADHO Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432616 592254478 /nfs/dbraw/zinc/25/44/78/592254478.db2.gz DFXOXZPDQOTBQH-CABCVRRESA-N 1 3 336.505 1.513 20 0 EDADHO Cc1csc(C[C@H]2CC[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C2)n1 ZINC000904432616 592254481 /nfs/dbraw/zinc/25/44/81/592254481.db2.gz DFXOXZPDQOTBQH-CABCVRRESA-N 1 3 336.505 1.513 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000906675418 592256558 /nfs/dbraw/zinc/25/65/58/592256558.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 1 3 338.540 1.642 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCCCCN2CCN(CC)CC2)C1 ZINC000906675418 592256562 /nfs/dbraw/zinc/25/65/62/592256562.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 1 3 338.540 1.642 20 0 EDADHO [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c1 ZINC000904501417 592272514 /nfs/dbraw/zinc/27/25/14/592272514.db2.gz YVKMEBVGASPCQV-SJORKVTESA-N 1 3 348.447 1.087 20 0 EDADHO NC(=O)c1ccc(CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725457 592284713 /nfs/dbraw/zinc/28/47/13/592284713.db2.gz ZVVDJUPHOUVNSX-HKUYNNGSSA-N 1 3 329.444 1.519 20 0 EDADHO Cc1ccc(N(C)C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739154 592300052 /nfs/dbraw/zinc/30/00/52/592300052.db2.gz DDESWLBGJUSAKK-HKUYNNGSSA-N 1 3 345.491 1.454 20 0 EDADHO CN1CCC([NH+]2CCC(NC(=O)Nc3ccccc3CN)CC2)CC1 ZINC000904645160 592302754 /nfs/dbraw/zinc/30/27/54/592302754.db2.gz TUXBCPCHDSXHOL-UHFFFAOYSA-N 1 3 345.491 1.825 20 0 EDADHO Cc1nc(CN(C)[C@H]2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741690 592303383 /nfs/dbraw/zinc/30/33/83/592303383.db2.gz RLYIZXSELULUJT-HOTGVXAUSA-N 1 3 349.479 1.043 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(c3ccnn3C)CC2)cnn1C ZINC000903888817 592351045 /nfs/dbraw/zinc/35/10/45/592351045.db2.gz LKXYDBGXJSNNLW-HNNXBMFYSA-N 1 3 330.480 1.459 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNc2ccc3c(c2)CNCCO3)cnn1C ZINC000903919670 592377542 /nfs/dbraw/zinc/37/75/42/592377542.db2.gz PLCBSIJHGGSMMG-CQSZACIVSA-N 1 3 329.448 1.440 20 0 EDADHO O=C1[C@H](NCc2cccc3c2CC[NH2+]C3)CCCN1CC(F)(F)F ZINC000903926425 592381233 /nfs/dbraw/zinc/38/12/33/592381233.db2.gz RZBVCPYPUSGNDN-OAHLLOKOSA-N 1 3 341.377 1.975 20 0 EDADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1(O)CCOCC1 ZINC000905098168 592422170 /nfs/dbraw/zinc/42/21/70/592422170.db2.gz PXTRJYRHQCYEIH-RBUKOAKNSA-N 1 3 348.487 1.043 20 0 EDADHO O[C@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905143597 592435899 /nfs/dbraw/zinc/43/58/99/592435899.db2.gz CMUXPJHOOCHMDP-GOSISDBHSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1(O)CCC1 ZINC000905143597 592435901 /nfs/dbraw/zinc/43/59/01/592435901.db2.gz CMUXPJHOOCHMDP-GOSISDBHSA-N 1 3 334.460 1.009 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240903 592485070 /nfs/dbraw/zinc/48/50/70/592485070.db2.gz BHWIREOFHGCGCK-ROUUACIJSA-N 1 3 334.460 1.001 20 0 EDADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240903 592485072 /nfs/dbraw/zinc/48/50/72/592485072.db2.gz BHWIREOFHGCGCK-ROUUACIJSA-N 1 3 334.460 1.001 20 0 EDADHO C[N@H+](C[C@H](O)CNCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588760 592583572 /nfs/dbraw/zinc/58/35/72/592583572.db2.gz YOQCTJUNZACSQV-CYBMUJFWSA-N 1 3 343.269 1.179 20 0 EDADHO C[N@@H+](C[C@H](O)CNCC1(n2cc(Br)cn2)CC1)C1CC1 ZINC000905588760 592583574 /nfs/dbraw/zinc/58/35/74/592583574.db2.gz YOQCTJUNZACSQV-CYBMUJFWSA-N 1 3 343.269 1.179 20 0 EDADHO Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc2ccccc12 ZINC000905701457 592614890 /nfs/dbraw/zinc/61/48/90/592614890.db2.gz ZYJJUAQGMYGGJQ-GASCZTMLSA-N 1 3 338.459 1.617 20 0 EDADHO Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc2ccccc12 ZINC000905701457 592614892 /nfs/dbraw/zinc/61/48/92/592614892.db2.gz ZYJJUAQGMYGGJQ-GASCZTMLSA-N 1 3 338.459 1.617 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456713 592664830 /nfs/dbraw/zinc/66/48/30/592664830.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000907456713 592664834 /nfs/dbraw/zinc/66/48/34/592664834.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 1 3 336.524 1.536 20 0 EDADHO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906644523 592865537 /nfs/dbraw/zinc/86/55/37/592865537.db2.gz DQJLBIZYMZXZLH-UHFFFAOYSA-N 1 3 332.448 1.463 20 0 EDADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645900 592865878 /nfs/dbraw/zinc/86/58/78/592865878.db2.gz MSWXVJWZVNQFAG-QLFBSQMISA-N 1 3 346.475 1.566 20 0 EDADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1CN ZINC000906645900 592865879 /nfs/dbraw/zinc/86/58/79/592865879.db2.gz MSWXVJWZVNQFAG-QLFBSQMISA-N 1 3 346.475 1.566 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000911579676 592953787 /nfs/dbraw/zinc/95/37/87/592953787.db2.gz PBANYHKHPXWWEU-DLBZAZTESA-N 1 3 338.540 1.638 20 0 EDADHO CCCN(C(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2)[C@H]1CC[NH2+]C1 ZINC000911769397 593001317 /nfs/dbraw/zinc/00/13/17/593001317.db2.gz VPCOGOYEUWCIDP-LSDHHAIUSA-N 1 3 330.432 1.113 20 0 EDADHO C[C@](C[NH3+])(NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C1CC1 ZINC000911801275 593012841 /nfs/dbraw/zinc/01/28/41/593012841.db2.gz AWLYUUKKTXNAHY-BDJLRTHQSA-N 1 3 329.366 1.607 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)CCO1 ZINC000911885610 593030773 /nfs/dbraw/zinc/03/07/73/593030773.db2.gz YHPGJYKGGIXCJB-BJSLICBWSA-N 1 3 347.459 1.215 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462840 593096765 /nfs/dbraw/zinc/09/67/65/593096765.db2.gz BMVCJKHEQKLISZ-SFHVURJKSA-N 1 3 327.472 1.858 20 0 EDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841097323 593107643 /nfs/dbraw/zinc/10/76/43/593107643.db2.gz KNSXFFSXBPZHTC-YPMHNXCESA-N 1 3 339.452 1.371 20 0 EDADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H](O)C2CC2)CC1 ZINC000838895862 593235810 /nfs/dbraw/zinc/23/58/10/593235810.db2.gz VGCXQSQSYXNGGA-SFHVURJKSA-N 1 3 333.476 1.520 20 0 EDADHO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000813330449 593527408 /nfs/dbraw/zinc/52/74/08/593527408.db2.gz XZXANUYVIVYWSZ-MAUKXSAKSA-N 1 3 345.487 1.790 20 0 EDADHO CC[NH+]1CCC(N2CCCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000817657461 593620368 /nfs/dbraw/zinc/62/03/68/593620368.db2.gz ZLBLNXNXFKXCSA-UHFFFAOYSA-N 1 3 336.524 1.489 20 0 EDADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1cccc(F)c1-c1nnn[n-]1 ZINC000821584773 593869811 /nfs/dbraw/zinc/86/98/11/593869811.db2.gz RVJNZFRCCUBARZ-UHFFFAOYSA-N 1 3 349.458 1.716 20 0 EDADHO C[NH+](C)CCCN(CCC[NH+](C)C)c1cccc(F)c1-c1nn[n-]n1 ZINC000821584773 593869813 /nfs/dbraw/zinc/86/98/13/593869813.db2.gz RVJNZFRCCUBARZ-UHFFFAOYSA-N 1 3 349.458 1.716 20 0 EDADHO C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000820829319 593899315 /nfs/dbraw/zinc/89/93/15/593899315.db2.gz HXBZYUNGDNODNL-WMLDXEAASA-N 1 3 339.505 1.823 20 0 EDADHO COC(=O)[C@H]1[C@@H](CN2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869554 593911210 /nfs/dbraw/zinc/91/12/10/593911210.db2.gz WZHSHCSVEQQBCV-HUUCEWRRSA-N 1 3 346.418 1.618 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189631 593986359 /nfs/dbraw/zinc/98/63/59/593986359.db2.gz QQAKKFFCVBKTTO-QGZVFWFLSA-N 1 3 344.463 1.799 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821189631 593986361 /nfs/dbraw/zinc/98/63/61/593986361.db2.gz QQAKKFFCVBKTTO-QGZVFWFLSA-N 1 3 344.463 1.799 20 0 EDADHO CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO2 ZINC000824401194 594003223 /nfs/dbraw/zinc/00/32/23/594003223.db2.gz KLUUOHQGYVEYQL-SZMVWBNQSA-N 1 3 341.496 1.308 20 0 EDADHO CO[C@]12CCC[C@@]1(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO2 ZINC000824401194 594003224 /nfs/dbraw/zinc/00/32/24/594003224.db2.gz KLUUOHQGYVEYQL-SZMVWBNQSA-N 1 3 341.496 1.308 20 0 EDADHO Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000824400443 594003231 /nfs/dbraw/zinc/00/32/31/594003231.db2.gz ADLLVQUGPGRJIH-AWEZNQCLSA-N 1 3 331.464 1.873 20 0 EDADHO Cc1ccc2n[nH]cc2c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000824400443 594003232 /nfs/dbraw/zinc/00/32/32/594003232.db2.gz ADLLVQUGPGRJIH-AWEZNQCLSA-N 1 3 331.464 1.873 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000824451088 594015180 /nfs/dbraw/zinc/01/51/80/594015180.db2.gz GYTCSBAWOPNIEM-KRWDZBQOSA-N 1 3 347.459 1.901 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000824826512 594080806 /nfs/dbraw/zinc/08/08/06/594080806.db2.gz KABXEEJOOYZCNE-LZLYRXPVSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]12CCO[C@@H]1CCCC2 ZINC000824826512 594080807 /nfs/dbraw/zinc/08/08/07/594080807.db2.gz KABXEEJOOYZCNE-LZLYRXPVSA-N 1 3 325.497 1.724 20 0 EDADHO CCCCC[C@H](O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000822891643 594118271 /nfs/dbraw/zinc/11/82/71/594118271.db2.gz ANUVUTFOLUTWGA-KRWDZBQOSA-N 1 3 325.497 1.602 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)CCCCC[NH3+])cc2)C1 ZINC000828138608 594349483 /nfs/dbraw/zinc/34/94/83/594349483.db2.gz CGRRHWYDBKQSCL-MRXNPFEDSA-N 1 3 346.475 1.842 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000841020530 594840705 /nfs/dbraw/zinc/84/07/05/594840705.db2.gz SOLWBDLSUYYLKE-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000836283822 594947185 /nfs/dbraw/zinc/94/71/85/594947185.db2.gz OJIVTPYOHIPPQD-SJORKVTESA-N 1 3 338.496 1.415 20 0 EDADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847194 594964366 /nfs/dbraw/zinc/96/43/66/594964366.db2.gz SMHYWJJDYXAODU-STQMWFEESA-N 1 3 341.358 1.516 20 0 EDADHO C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN(Cc2ccccc2)C1 ZINC000841899679 594977568 /nfs/dbraw/zinc/97/75/68/594977568.db2.gz XRUNDHCDFUJPSG-WSTZPKSXSA-N 1 3 342.487 1.902 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842007226 595000805 /nfs/dbraw/zinc/00/08/05/595000805.db2.gz WZKYHYSFUDEUHQ-MELADBBJSA-N 1 3 330.423 1.405 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843267126 595058024 /nfs/dbraw/zinc/05/80/24/595058024.db2.gz UYXIOCITMYPCPE-HUUCEWRRSA-N 1 3 326.485 1.001 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000844166060 595288947 /nfs/dbraw/zinc/28/89/47/595288947.db2.gz YGXHCOCOSLQMIQ-ZWKOTPCHSA-N 1 3 333.476 1.737 20 0 EDADHO COC1(C(=O)N(C)c2ccc(OCCN(C)C)cc2)CC[NH2+]CC1 ZINC000844183015 595295000 /nfs/dbraw/zinc/29/50/00/595295000.db2.gz SRCPWUBTLPOOTK-UHFFFAOYSA-N 1 3 335.448 1.358 20 0 EDADHO NC(=O)COc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000844910375 595412237 /nfs/dbraw/zinc/41/22/37/595412237.db2.gz GUPMVHLSFGDXRG-JQHSSLGASA-N 1 3 347.459 1.412 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064289 595476994 /nfs/dbraw/zinc/47/69/94/595476994.db2.gz MBVVMTCFCHFVJJ-QGZVFWFLSA-N 1 3 326.448 1.971 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081844 595479514 /nfs/dbraw/zinc/47/95/14/595479514.db2.gz FDLRZESLKLENRN-OAHLLOKOSA-N 1 3 329.448 1.071 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000849093604 595480205 /nfs/dbraw/zinc/48/02/05/595480205.db2.gz BLJZMXXRRUEKNN-SJLPKXTDSA-N 1 3 346.475 1.523 20 0 EDADHO C[C@H]1CN(C(=[NH2+])NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000849093605 595480388 /nfs/dbraw/zinc/48/03/88/595480388.db2.gz BLJZMXXRRUEKNN-WMZOPIPTSA-N 1 3 346.475 1.523 20 0 EDADHO [NH2+]=C(NCCc1ccccc1)NCC(=O)NCCN1CCCCCC1 ZINC000849103266 595482109 /nfs/dbraw/zinc/48/21/09/595482109.db2.gz JPAOOUWOHUQUFD-UHFFFAOYSA-N 1 3 345.491 1.335 20 0 EDADHO COc1cccc(NC(=[NH2+])NCC(=O)NCCN2CCCCCC2)c1 ZINC000849103031 595482276 /nfs/dbraw/zinc/48/22/76/595482276.db2.gz BSKVYHTURMKSLM-UHFFFAOYSA-N 1 3 347.463 1.624 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000845508267 595509401 /nfs/dbraw/zinc/50/94/01/595509401.db2.gz TWNVKFPBNBJMSL-KGLIPLIRSA-N 1 3 342.484 1.042 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559058 /nfs/dbraw/zinc/55/90/58/595559058.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 1 3 347.507 1.444 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559061 /nfs/dbraw/zinc/55/90/61/595559061.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 1 3 347.507 1.444 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585486 /nfs/dbraw/zinc/58/54/86/595585486.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 1 3 349.523 1.692 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585489 /nfs/dbraw/zinc/58/54/89/595585489.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 1 3 349.523 1.692 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603182 595589969 /nfs/dbraw/zinc/58/99/69/595589969.db2.gz CUBZPFYTPMTVLD-FOIPXRHGSA-N 1 3 347.507 1.444 20 0 EDADHO NC[C@@H]1CC(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)=NO1 ZINC000852879221 595595175 /nfs/dbraw/zinc/59/51/75/595595175.db2.gz SMIXBKILGKEMRN-SOLBZPMBSA-N 1 3 344.459 1.289 20 0 EDADHO NC[C@@H]1CC(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)=NO1 ZINC000852879219 595595203 /nfs/dbraw/zinc/59/52/03/595595203.db2.gz SMIXBKILGKEMRN-BQFCYCMXSA-N 1 3 344.459 1.289 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000851661834 595872895 /nfs/dbraw/zinc/87/28/95/595872895.db2.gz PHIUUUFGMIHQDJ-SFHVURJKSA-N 1 3 346.475 1.240 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936897 /nfs/dbraw/zinc/93/68/97/595936897.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 1 3 341.471 1.257 20 0 EDADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936899 /nfs/dbraw/zinc/93/68/99/595936899.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 1 3 341.471 1.257 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC000857180246 596177802 /nfs/dbraw/zinc/17/78/02/596177802.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 1 3 331.460 1.292 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC000857180246 596177804 /nfs/dbraw/zinc/17/78/04/596177804.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 1 3 331.460 1.292 20 0 EDADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569809 596254496 /nfs/dbraw/zinc/25/44/96/596254496.db2.gz DXISMPMZPCHHLC-GOEBONIOSA-N 1 3 345.553 1.934 20 0 EDADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569809 596254500 /nfs/dbraw/zinc/25/45/00/596254500.db2.gz DXISMPMZPCHHLC-GOEBONIOSA-N 1 3 345.553 1.934 20 0 EDADHO CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000868020414 596657797 /nfs/dbraw/zinc/65/77/97/596657797.db2.gz CGEOYOHJSAXGNN-ZDUSSCGKSA-N 1 3 342.484 1.042 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000868130713 596696408 /nfs/dbraw/zinc/69/64/08/596696408.db2.gz RKCRBXHOAUCAPQ-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000868130713 596696411 /nfs/dbraw/zinc/69/64/11/596696411.db2.gz RKCRBXHOAUCAPQ-QZTJIDSGSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)Cc1ccccc1 ZINC000868130714 596696443 /nfs/dbraw/zinc/69/64/43/596696443.db2.gz RKCRBXHOAUCAPQ-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO CN(CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)Cc1ccccc1 ZINC000868130714 596696446 /nfs/dbraw/zinc/69/64/46/596696446.db2.gz RKCRBXHOAUCAPQ-ROUUACIJSA-N 1 3 330.476 1.854 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)c1 ZINC000868166879 596708131 /nfs/dbraw/zinc/70/81/31/596708131.db2.gz BSAIMZRVXSUTRG-UHFFFAOYSA-N 1 3 345.491 1.697 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2coc3ccccc23)C1 ZINC000872254689 596855485 /nfs/dbraw/zinc/85/54/85/596855485.db2.gz BQBMPSAHPYNTGJ-JLJPHGGASA-N 1 3 327.384 1.800 20 0 EDADHO CN1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)(c2ccccc2)CC1 ZINC000872310613 596877138 /nfs/dbraw/zinc/87/71/38/596877138.db2.gz GKDYEPBWNHYYPB-UWVAXJGDSA-N 1 3 327.472 1.894 20 0 EDADHO C[N@H+](CCCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935221 /nfs/dbraw/zinc/93/52/21/596935221.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 1 3 326.485 1.005 20 0 EDADHO C[N@@H+](CCCCNC(=O)N[C@H]1CCN(CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935223 /nfs/dbraw/zinc/93/52/23/596935223.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 1 3 326.485 1.005 20 0 EDADHO COC(=O)[C@@H]1CC(=O)N(CN(CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743623 597055561 /nfs/dbraw/zinc/05/55/61/597055561.db2.gz GKRAARJYVYSOBB-MRXNPFEDSA-N 1 3 339.480 1.265 20 0 EDADHO C[C@@H]([NH2+]Cc1cccc(-n2cc(CN)nn2)c1)C(C)(C)n1cncn1 ZINC000873242780 597237094 /nfs/dbraw/zinc/23/70/94/597237094.db2.gz DPOKRAJOENSNAK-CYBMUJFWSA-N 1 3 340.435 1.231 20 0 EDADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)cc1 ZINC000876719277 597303263 /nfs/dbraw/zinc/30/32/63/597303263.db2.gz HHYAZUJDRQWTDC-YJBOKZPZSA-N 1 3 332.492 1.566 20 0 EDADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CN(C)C)cc1 ZINC000876719277 597303265 /nfs/dbraw/zinc/30/32/65/597303265.db2.gz HHYAZUJDRQWTDC-YJBOKZPZSA-N 1 3 332.492 1.566 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000876737300 597313953 /nfs/dbraw/zinc/31/39/53/597313953.db2.gz RDEBQGXZEUKRPQ-UHFFFAOYSA-N 1 3 327.432 1.769 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000876759658 597325877 /nfs/dbraw/zinc/32/58/77/597325877.db2.gz PRBJZZKFZXRNQK-NJAFHUGGSA-N 1 3 332.492 1.387 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000876759658 597325881 /nfs/dbraw/zinc/32/58/81/597325881.db2.gz PRBJZZKFZXRNQK-NJAFHUGGSA-N 1 3 332.492 1.387 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CN(C)C ZINC000876776763 597336663 /nfs/dbraw/zinc/33/66/63/597336663.db2.gz QKYDUWGGSOZNMU-ROUUACIJSA-N 1 3 332.492 1.246 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CN(C)C ZINC000876776763 597336664 /nfs/dbraw/zinc/33/66/64/597336664.db2.gz QKYDUWGGSOZNMU-ROUUACIJSA-N 1 3 332.492 1.246 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875369822 597402985 /nfs/dbraw/zinc/40/29/85/597402985.db2.gz OUFFSPJIEVWQIS-CVEARBPZSA-N 1 3 340.512 1.109 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1 ZINC000875369822 597402986 /nfs/dbraw/zinc/40/29/86/597402986.db2.gz OUFFSPJIEVWQIS-CVEARBPZSA-N 1 3 340.512 1.109 20 0 EDADHO NC1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)Cc2ccccc2C1 ZINC000877372053 597503815 /nfs/dbraw/zinc/50/38/15/597503815.db2.gz YKMZHZXWZLAEBT-OLZOCXBDSA-N 1 3 327.350 1.078 20 0 EDADHO C[NH+]1CCC2(CCCN(Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000877495377 597525368 /nfs/dbraw/zinc/52/53/68/597525368.db2.gz AQKLCLSLGJVVNB-UHFFFAOYSA-N 1 3 337.489 1.642 20 0 EDADHO CC(=O)Nc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877747450 597552851 /nfs/dbraw/zinc/55/28/51/597552851.db2.gz LVVRLLFKTPNMPF-UHFFFAOYSA-N 1 3 330.476 1.857 20 0 EDADHO O[C@]1(CN2CCC(C3OCCO3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000878036830 597571197 /nfs/dbraw/zinc/57/11/97/597571197.db2.gz DYZCEWUGBGDLIG-FQEVSTJZSA-N 1 3 346.471 1.708 20 0 EDADHO O[C@]1(CN2CCC(C3OCCO3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000878036830 597571198 /nfs/dbraw/zinc/57/11/98/597571198.db2.gz DYZCEWUGBGDLIG-FQEVSTJZSA-N 1 3 346.471 1.708 20 0 EDADHO CCC[C@H](C)[C@H]1CCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780845 597624925 /nfs/dbraw/zinc/62/49/25/597624925.db2.gz XUZJWKRPYKYILR-LSDHHAIUSA-N 1 3 336.480 1.861 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C)CC(F)(F)C1 ZINC000883770131 597895230 /nfs/dbraw/zinc/89/52/30/597895230.db2.gz KSEAVVQHBGZMME-ZDUSSCGKSA-N 1 3 334.455 1.993 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C)CC(F)(F)C1 ZINC000883770131 597895232 /nfs/dbraw/zinc/89/52/32/597895232.db2.gz KSEAVVQHBGZMME-ZDUSSCGKSA-N 1 3 334.455 1.993 20 0 EDADHO N[C@H](CC1CC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000884220213 598033309 /nfs/dbraw/zinc/03/33/09/598033309.db2.gz JWBXBGRYOFKPLW-GOSISDBHSA-N 1 3 331.460 1.905 20 0 EDADHO N[C@@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000884346541 598076612 /nfs/dbraw/zinc/07/66/12/598076612.db2.gz OWFCFBZMNKZPRE-INIZCTEOSA-N 1 3 345.491 1.710 20 0 EDADHO C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nn1 ZINC000881278507 598115886 /nfs/dbraw/zinc/11/58/86/598115886.db2.gz WVWFSGXOAJPYNW-DZKIICNBSA-N 1 3 342.447 1.250 20 0 EDADHO C[NH+](C)CCCCC(=O)NCC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001060463486 695241642 /nfs/dbraw/zinc/24/16/42/695241642.db2.gz WMXLFCSMIWEABJ-OAHLLOKOSA-N 1 3 349.479 1.039 20 0 EDADHO COCCN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211260 696583932 /nfs/dbraw/zinc/58/39/32/696583932.db2.gz YHHAQYKGRAHSSH-YJBOKZPZSA-N 1 3 337.508 1.724 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636730 697308591 /nfs/dbraw/zinc/30/85/91/697308591.db2.gz YRPGVKAELRXCHG-IAGOWNOFSA-N 1 3 349.479 1.094 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000940117473 700249968 /nfs/dbraw/zinc/24/99/68/700249968.db2.gz SUBJECPXKPGMOO-NVXWUHKLSA-N 1 3 347.507 1.714 20 0 EDADHO CCn1ccc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC000940117473 700249970 /nfs/dbraw/zinc/24/99/70/700249970.db2.gz SUBJECPXKPGMOO-NVXWUHKLSA-N 1 3 347.507 1.714 20 0 EDADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941502597 701561727 /nfs/dbraw/zinc/56/17/27/701561727.db2.gz SRWAOKKSIXJANB-LJQANCHMSA-N 1 3 346.519 1.099 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136630 699223104 /nfs/dbraw/zinc/22/31/04/699223104.db2.gz ALVCDPCFGMKZNI-DOTOQJQBSA-N 1 3 347.507 1.131 20 0 EDADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1cccc(Cl)n1 ZINC000939543657 699684996 /nfs/dbraw/zinc/68/49/96/699684996.db2.gz FQIMOBWCPGWHKU-UKRRQHHQSA-N 1 3 348.878 1.767 20 0 EDADHO Cc1cc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)sn1 ZINC000939552266 699701951 /nfs/dbraw/zinc/70/19/51/699701951.db2.gz WRDUIRBMBIICSQ-WFASDCNBSA-N 1 3 334.489 1.484 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)CCC1 ZINC000940150251 700260926 /nfs/dbraw/zinc/26/09/26/700260926.db2.gz SWDKDOXERMYDAU-UHFFFAOYSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)CCC1 ZINC000940148876 700281764 /nfs/dbraw/zinc/28/17/64/700281764.db2.gz DWXOQHUSQKVDJZ-MRXNPFEDSA-N 1 3 337.508 1.868 20 0 EDADHO CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000940219405 700381175 /nfs/dbraw/zinc/38/11/75/700381175.db2.gz KDKJRIFNQLIPKO-OHTSDLOESA-N 1 3 347.503 1.620 20 0 EDADHO Cc1cnc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000940461763 700664852 /nfs/dbraw/zinc/66/48/52/700664852.db2.gz JPYZDKNTFWFZPL-UHFFFAOYSA-N 1 3 331.464 1.352 20 0 EDADHO Cc1nn(C)cc1CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169190 706597613 /nfs/dbraw/zinc/59/76/13/706597613.db2.gz JCVPYGLEJVUGRB-ROUUACIJSA-N 1 3 345.491 1.151 20 0 EDADHO Cc1ccc(CN2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c(C)c1 ZINC001032129932 701830602 /nfs/dbraw/zinc/83/06/02/701830602.db2.gz BGGGJLXWXNUOKZ-UHFFFAOYSA-N 1 3 327.472 1.947 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980591 702139338 /nfs/dbraw/zinc/13/93/38/702139338.db2.gz WERAXJFASQJAJP-LPHOPBHVSA-N 1 3 329.488 1.783 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980591 702139339 /nfs/dbraw/zinc/13/93/39/702139339.db2.gz WERAXJFASQJAJP-LPHOPBHVSA-N 1 3 329.488 1.783 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)C1CC1 ZINC000995895778 702199466 /nfs/dbraw/zinc/19/94/66/702199466.db2.gz MKHSKFMBXYPUFQ-HOTGVXAUSA-N 1 3 333.480 1.087 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1)C1CCC1 ZINC000995918637 702237949 /nfs/dbraw/zinc/23/79/49/702237949.db2.gz OKPMXCKPRDSMIF-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)C1CCC1 ZINC000995916087 702276564 /nfs/dbraw/zinc/27/65/64/702276564.db2.gz IFYUWQOSHSZDSD-MRXNPFEDSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC[N@@H+]1C ZINC000999208178 706661701 /nfs/dbraw/zinc/66/17/01/706661701.db2.gz MCZIRYIXNMKTNX-BHYGNILZSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)CC[N@H+]1C ZINC000999208178 706661703 /nfs/dbraw/zinc/66/17/03/706661703.db2.gz MCZIRYIXNMKTNX-BHYGNILZSA-N 1 3 333.480 1.231 20 0 EDADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996074688 702464385 /nfs/dbraw/zinc/46/43/85/702464385.db2.gz WRIMJSLMFPNJNA-BWRBCVJASA-N 1 3 335.492 1.332 20 0 EDADHO CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1(C)C ZINC000996074701 702464447 /nfs/dbraw/zinc/46/44/47/702464447.db2.gz WRIMJSLMFPNJNA-YJTLQXIOSA-N 1 3 335.492 1.332 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293006 702685473 /nfs/dbraw/zinc/68/54/73/702685473.db2.gz AEFCBTRPPDQPIA-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996563013 702876903 /nfs/dbraw/zinc/87/69/03/702876903.db2.gz ZIQYXFUENVPXFT-QGZVFWFLSA-N 1 3 332.448 1.405 20 0 EDADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617446 702924558 /nfs/dbraw/zinc/92/45/58/702924558.db2.gz AWFCSCQLYMXXGB-IAGOWNOFSA-N 1 3 349.500 1.692 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)o1 ZINC000996681213 702979870 /nfs/dbraw/zinc/97/98/70/702979870.db2.gz XZUZDLFJTLYMNN-KRWDZBQOSA-N 1 3 334.464 1.712 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996698072 702996507 /nfs/dbraw/zinc/99/65/07/702996507.db2.gz SQNOQNGWIQZDES-KRWDZBQOSA-N 1 3 335.496 1.570 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)N(C)C ZINC000996713309 703008104 /nfs/dbraw/zinc/00/81/04/703008104.db2.gz TUEWTYQXOHHZQE-QGZVFWFLSA-N 1 3 334.464 1.973 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997006365 703263570 /nfs/dbraw/zinc/26/35/70/703263570.db2.gz LMFSYLJANGNUGC-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997006365 703263571 /nfs/dbraw/zinc/26/35/71/703263571.db2.gz LMFSYLJANGNUGC-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC1 ZINC000997116044 703370552 /nfs/dbraw/zinc/37/05/52/703370552.db2.gz SHAREUHVBSRDHA-UHFFFAOYSA-N 1 3 336.505 1.956 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181982 703466963 /nfs/dbraw/zinc/46/69/63/703466963.db2.gz FJNQQZIEUTZNGF-OCCSQVGLSA-N 1 3 334.468 1.097 20 0 EDADHO Cc1nnc([C@@H](C)NC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997181982 703466965 /nfs/dbraw/zinc/46/69/65/703466965.db2.gz FJNQQZIEUTZNGF-OCCSQVGLSA-N 1 3 334.468 1.097 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997359265 703589822 /nfs/dbraw/zinc/58/98/22/703589822.db2.gz HJPURBCNCJRCDO-OKILXGFUSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997359265 703589823 /nfs/dbraw/zinc/58/98/23/703589823.db2.gz HJPURBCNCJRCDO-OKILXGFUSA-N 1 3 334.464 1.936 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367146 703601430 /nfs/dbraw/zinc/60/14/30/703601430.db2.gz VPNBSQXWJLWTGD-QGZVFWFLSA-N 1 3 334.464 1.938 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032493546 703778932 /nfs/dbraw/zinc/77/89/32/703778932.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 1 3 349.519 1.819 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1 ZINC001032493546 703778934 /nfs/dbraw/zinc/77/89/34/703778934.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 1 3 349.519 1.819 20 0 EDADHO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032530243 704034959 /nfs/dbraw/zinc/03/49/59/704034959.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 1 3 333.476 1.181 20 0 EDADHO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001032530243 704034961 /nfs/dbraw/zinc/03/49/61/704034961.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 1 3 333.476 1.181 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnc(C)cn2)CC1)N(C)C ZINC000997854253 704766399 /nfs/dbraw/zinc/76/63/99/704766399.db2.gz AQBDEEYXXGYJJH-QGZVFWFLSA-N 1 3 333.480 1.453 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000997955960 705085417 /nfs/dbraw/zinc/08/54/17/705085417.db2.gz KEYFYUJUASXWJB-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998081638 705303162 /nfs/dbraw/zinc/30/31/62/705303162.db2.gz KXOVAYVNJAYXNC-OAHLLOKOSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998083090 705311713 /nfs/dbraw/zinc/31/17/13/705311713.db2.gz UQTDKWVIVGGBDA-CQSZACIVSA-N 1 3 336.505 1.813 20 0 EDADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNCc3nccs3)CC2)C1 ZINC000998083090 705311717 /nfs/dbraw/zinc/31/17/17/705311717.db2.gz UQTDKWVIVGGBDA-CQSZACIVSA-N 1 3 336.505 1.813 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998218310 705541100 /nfs/dbraw/zinc/54/11/00/705541100.db2.gz ZUNYPIJQRCMBDP-MRXNPFEDSA-N 1 3 333.480 1.090 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998218310 705541106 /nfs/dbraw/zinc/54/11/06/705541106.db2.gz ZUNYPIJQRCMBDP-MRXNPFEDSA-N 1 3 333.480 1.090 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cn1 ZINC000999346307 706858207 /nfs/dbraw/zinc/85/82/07/706858207.db2.gz CZGLOXOXOGBWCV-MRXNPFEDSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376511 706870812 /nfs/dbraw/zinc/87/08/12/706870812.db2.gz WGSWNOGHTAKNOS-HOCLYGCPSA-N 1 3 336.505 1.606 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cn1 ZINC000999372609 706887405 /nfs/dbraw/zinc/88/74/05/706887405.db2.gz CVIHXBXQVNSRLN-MRXNPFEDSA-N 1 3 331.464 1.350 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399520 706894137 /nfs/dbraw/zinc/89/41/37/706894137.db2.gz HVUAGAAFVOBBRY-HOTGVXAUSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399520 706894140 /nfs/dbraw/zinc/89/41/40/706894140.db2.gz HVUAGAAFVOBBRY-HOTGVXAUSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1nccc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999403683 706912725 /nfs/dbraw/zinc/91/27/25/706912725.db2.gz XRRUFSMSOXIOTF-HOTGVXAUSA-N 1 3 333.480 1.375 20 0 EDADHO Cn1nccc1CN[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403683 706912727 /nfs/dbraw/zinc/91/27/27/706912727.db2.gz XRRUFSMSOXIOTF-HOTGVXAUSA-N 1 3 333.480 1.375 20 0 EDADHO Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999405735 706914643 /nfs/dbraw/zinc/91/46/43/706914643.db2.gz GXJRJDOMDZJMQL-ZLPCBKJTSA-N 1 3 330.476 1.953 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406847 706916129 /nfs/dbraw/zinc/91/61/29/706916129.db2.gz SNRINFJFRSVWMU-JEYLPNPQSA-N 1 3 331.464 1.348 20 0 EDADHO Cc1nccnc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999406847 706916132 /nfs/dbraw/zinc/91/61/32/706916132.db2.gz SNRINFJFRSVWMU-JEYLPNPQSA-N 1 3 331.464 1.348 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000999475419 706984008 /nfs/dbraw/zinc/98/40/08/706984008.db2.gz ZADYEXFEHDYMAF-BDVYOWHSSA-N 1 3 346.406 1.404 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488995 707025046 /nfs/dbraw/zinc/02/50/46/707025046.db2.gz IERBPHIMPUGKKW-INIZCTEOSA-N 1 3 345.491 1.377 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999573386 707079667 /nfs/dbraw/zinc/07/96/67/707079667.db2.gz IOBFPVVHALHUIR-SJLPKXTDSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999573386 707079668 /nfs/dbraw/zinc/07/96/68/707079668.db2.gz IOBFPVVHALHUIR-SJLPKXTDSA-N 1 3 347.507 1.621 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244829 /nfs/dbraw/zinc/24/48/29/707244829.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 1 3 349.519 1.535 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244833 /nfs/dbraw/zinc/24/48/33/707244833.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 1 3 349.519 1.535 20 0 EDADHO CCCc1nc(C)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999838289 707409801 /nfs/dbraw/zinc/40/98/01/707409801.db2.gz VTKCIBVRJBOZOY-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO CCCc1nc(C)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000999838289 707409804 /nfs/dbraw/zinc/40/98/04/707409804.db2.gz VTKCIBVRJBOZOY-QQFBHYJXSA-N 1 3 348.491 1.966 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCOCC2)C1 ZINC001032731268 707732303 /nfs/dbraw/zinc/73/23/03/707732303.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 1 3 349.519 1.820 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCOCC2)C1 ZINC001032731268 707732309 /nfs/dbraw/zinc/73/23/09/707732309.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 1 3 349.519 1.820 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001033225021 707849393 /nfs/dbraw/zinc/84/93/93/707849393.db2.gz CBTACCCAGWIRDX-IAGOWNOFSA-N 1 3 349.519 1.963 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121872 708635912 /nfs/dbraw/zinc/63/59/12/708635912.db2.gz WFOLYZHTKNVNTP-QGZVFWFLSA-N 1 3 330.476 1.670 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121872 708635914 /nfs/dbraw/zinc/63/59/14/708635914.db2.gz WFOLYZHTKNVNTP-QGZVFWFLSA-N 1 3 330.476 1.670 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033905087 709033539 /nfs/dbraw/zinc/03/35/39/709033539.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 1 3 339.455 1.132 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033905087 709033543 /nfs/dbraw/zinc/03/35/43/709033543.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 1 3 339.455 1.132 20 0 EDADHO COCCNCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702125735 709336767 /nfs/dbraw/zinc/33/67/67/709336767.db2.gz XGPIRQDDZHRTJV-PKOBYXMFSA-N 1 3 331.460 1.203 20 0 EDADHO COCCNCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702125735 709336768 /nfs/dbraw/zinc/33/67/68/709336768.db2.gz XGPIRQDDZHRTJV-PKOBYXMFSA-N 1 3 331.460 1.203 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793174 709401036 /nfs/dbraw/zinc/40/10/36/709401036.db2.gz WJPFGICBCXPEDC-GOSISDBHSA-N 1 3 347.507 1.416 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(CCn2cccn2)C1 ZINC001034204274 709526070 /nfs/dbraw/zinc/52/60/70/709526070.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(CCn2cccn2)C1 ZINC001034204274 709526072 /nfs/dbraw/zinc/52/60/72/709526072.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 1 3 347.507 1.727 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(CCn2cccn2)C1 ZINC001034239050 709620781 /nfs/dbraw/zinc/62/07/81/709620781.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 1 3 347.507 1.728 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(CCn2cccn2)C1 ZINC001034239050 709620783 /nfs/dbraw/zinc/62/07/83/709620783.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 1 3 347.507 1.728 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003011147 709783026 /nfs/dbraw/zinc/78/30/26/709783026.db2.gz MOKCYYMXCYXVJN-GOSISDBHSA-N 1 3 347.507 1.727 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003011147 709783028 /nfs/dbraw/zinc/78/30/28/709783028.db2.gz MOKCYYMXCYXVJN-GOSISDBHSA-N 1 3 347.507 1.727 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001034654568 710329708 /nfs/dbraw/zinc/32/97/08/710329708.db2.gz YJOYGFPCDYBSEV-BRSBDYLESA-N 1 3 335.492 1.667 20 0 EDADHO CC(C)N1CCO[C@@H](C(=O)NC2CC[NH+](C/C=C\Cl)CC2)C1 ZINC001003482711 710377362 /nfs/dbraw/zinc/37/73/62/710377362.db2.gz DCOKVCVBRXPRFF-OMVNSRBRSA-N 1 3 329.872 1.429 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658809 710587441 /nfs/dbraw/zinc/58/74/41/710587441.db2.gz HUWPJSXTSFQGOS-BFYDXBDKSA-N 1 3 348.495 1.207 20 0 EDADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1)C(N)=O ZINC001034703514 710812910 /nfs/dbraw/zinc/81/29/10/710812910.db2.gz ADBZXLOUPYWYOC-KKUMJFAQSA-N 1 3 338.496 1.142 20 0 EDADHO Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001034703969 710813964 /nfs/dbraw/zinc/81/39/64/710813964.db2.gz GYWNBHHJEGPQKR-WKILWMFISA-N 1 3 347.507 1.812 20 0 EDADHO Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC001034734040 710915678 /nfs/dbraw/zinc/91/56/78/710915678.db2.gz HVGDTBUDDJUHCK-WBAXXEDZSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034735700 710922156 /nfs/dbraw/zinc/92/21/56/710922156.db2.gz MFBOTVQFHDKBEL-BPUTZDHNSA-N 1 3 334.464 1.984 20 0 EDADHO C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001034749537 710956997 /nfs/dbraw/zinc/95/69/97/710956997.db2.gz LJFGBDFNZVARHZ-YYIAUSFCSA-N 1 3 325.497 1.649 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034776052 711050944 /nfs/dbraw/zinc/05/09/44/711050944.db2.gz OLKANISOCWTVGO-UKMLZYKCSA-N 1 3 348.495 1.533 20 0 EDADHO Cc1nnc([C@H](C)N[C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001034776052 711050948 /nfs/dbraw/zinc/05/09/48/711050948.db2.gz OLKANISOCWTVGO-UKMLZYKCSA-N 1 3 348.495 1.533 20 0 EDADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cn1 ZINC001034957155 711428443 /nfs/dbraw/zinc/42/84/43/711428443.db2.gz KIIZSNHFTKRRLP-MRXNPFEDSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001034958133 711431043 /nfs/dbraw/zinc/43/10/43/711431043.db2.gz AYVCFRSYPATTJP-QZTJIDSGSA-N 1 3 330.476 1.811 20 0 EDADHO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392117 711457239 /nfs/dbraw/zinc/45/72/39/711457239.db2.gz BMRGSDLTNJIKAM-FPAYPSAMSA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392117 711457242 /nfs/dbraw/zinc/45/72/42/711457242.db2.gz BMRGSDLTNJIKAM-FPAYPSAMSA-N 1 3 343.475 1.689 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@H]1C(C)C ZINC000922392738 711458238 /nfs/dbraw/zinc/45/82/38/711458238.db2.gz GVJPFPJUUBRXCX-YWTNHNAXSA-N 1 3 349.523 1.446 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cnc(N(C)C)n3C)C2)[C@H]1C(C)C ZINC000922392738 711458239 /nfs/dbraw/zinc/45/82/39/711458239.db2.gz GVJPFPJUUBRXCX-YWTNHNAXSA-N 1 3 349.523 1.446 20 0 EDADHO COCc1ccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004143037 711542980 /nfs/dbraw/zinc/54/29/80/711542980.db2.gz KZUQSEGTZFTVDF-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO COCc1ccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004143037 711542984 /nfs/dbraw/zinc/54/29/84/711542984.db2.gz KZUQSEGTZFTVDF-SFHVURJKSA-N 1 3 345.487 1.865 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004150385 711565751 /nfs/dbraw/zinc/56/57/51/711565751.db2.gz SAJVCOWFQJACFS-MRXNPFEDSA-N 1 3 333.480 1.032 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004150385 711565753 /nfs/dbraw/zinc/56/57/53/711565753.db2.gz SAJVCOWFQJACFS-MRXNPFEDSA-N 1 3 333.480 1.032 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)C1 ZINC001004547159 711957631 /nfs/dbraw/zinc/95/76/31/711957631.db2.gz MDEWEQAGGOCATC-SJLPKXTDSA-N 1 3 337.508 1.414 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)C1 ZINC001004547159 711957634 /nfs/dbraw/zinc/95/76/34/711957634.db2.gz MDEWEQAGGOCATC-SJLPKXTDSA-N 1 3 337.508 1.414 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1CCN(C)C ZINC000445767825 539461687 /nfs/dbraw/zinc/46/16/87/539461687.db2.gz UFYKZALCVHOLCM-HNNXBMFYSA-N 1 3 348.491 1.576 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333888836 539657999 /nfs/dbraw/zinc/65/79/99/539657999.db2.gz XTEYXYKCJSFKNY-YJBOKZPZSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333921214 539661068 /nfs/dbraw/zinc/66/10/68/539661068.db2.gz QKVTXTYYMVKGQA-UHFFFAOYSA-N 1 3 334.508 1.924 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000562808745 306309860 /nfs/dbraw/zinc/30/98/60/306309860.db2.gz QAWFBESCYBAJHN-HZPDHXFCSA-N 1 3 331.464 1.725 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)nn1 ZINC000562839094 306311125 /nfs/dbraw/zinc/31/11/25/306311125.db2.gz YZZLYJJUTOYLBI-INIZCTEOSA-N 1 3 346.410 1.542 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)nn1 ZINC000562839094 306311126 /nfs/dbraw/zinc/31/11/26/306311126.db2.gz YZZLYJJUTOYLBI-INIZCTEOSA-N 1 3 346.410 1.542 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000562949525 306313434 /nfs/dbraw/zinc/31/34/34/306313434.db2.gz HRWJPDSZTWMGGU-MJGOQNOKSA-N 1 3 331.460 1.176 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000562949525 306313435 /nfs/dbraw/zinc/31/34/35/306313435.db2.gz HRWJPDSZTWMGGU-MJGOQNOKSA-N 1 3 331.460 1.176 20 0 EDADHO CC(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)S(C)(=O)=O ZINC000562980066 306314577 /nfs/dbraw/zinc/31/45/77/306314577.db2.gz IDXFIEOCVYJOKD-OSAQELSMSA-N 1 3 342.436 1.068 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000563559514 306338894 /nfs/dbraw/zinc/33/88/94/306338894.db2.gz ROJKEPPMSRIIIZ-FGTMMUONSA-N 1 3 330.476 1.936 20 0 EDADHO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028777 138277384 /nfs/dbraw/zinc/27/73/84/138277384.db2.gz VTKUADBPMRYECT-CRAIPNDOSA-N 1 3 331.460 1.779 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1CN ZINC000418942754 283210321 /nfs/dbraw/zinc/21/03/21/283210321.db2.gz XUPMVVMMGZMZHX-HZPDHXFCSA-N 1 3 340.512 1.201 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111867889 138308964 /nfs/dbraw/zinc/30/89/64/138308964.db2.gz JYUVOGZXWNGNIZ-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209343 306357136 /nfs/dbraw/zinc/35/71/36/306357136.db2.gz NRTQLBMDXICSEU-IDHHARJASA-N 1 3 345.443 1.640 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000564850926 306367449 /nfs/dbraw/zinc/36/74/49/306367449.db2.gz ZEKUGCTWGQLNTD-JTDSTZFVSA-N 1 3 339.524 1.453 20 0 EDADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)C[C@H](C)O1 ZINC000564850926 306367450 /nfs/dbraw/zinc/36/74/50/306367450.db2.gz ZEKUGCTWGQLNTD-JTDSTZFVSA-N 1 3 339.524 1.453 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000359900933 201115995 /nfs/dbraw/zinc/11/59/95/201115995.db2.gz QVBJIFNAQCRAQZ-DLBZAZTESA-N 1 3 346.475 1.721 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)ccn1 ZINC000359900933 201115997 /nfs/dbraw/zinc/11/59/97/201115997.db2.gz QVBJIFNAQCRAQZ-DLBZAZTESA-N 1 3 346.475 1.721 20 0 EDADHO CCn1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414195118 304105346 /nfs/dbraw/zinc/10/53/46/304105346.db2.gz NQSRLCSAVKNQAF-INIZCTEOSA-N 1 3 335.496 1.350 20 0 EDADHO C[NH+]1CCC(CNCc2cc(F)ccc2F)(N2CCOCC2)CC1 ZINC000414486114 304118943 /nfs/dbraw/zinc/11/89/43/304118943.db2.gz QOELLDLHBSHMOW-UHFFFAOYSA-N 1 3 339.430 1.851 20 0 EDADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000566179034 306402052 /nfs/dbraw/zinc/40/20/52/306402052.db2.gz MFCCTTVVCUTVFH-SJLPKXTDSA-N 1 3 331.460 1.082 20 0 EDADHO COc1ccc(CNCCCN2CC[NH2+]CC2)c(Cl)c1OC ZINC000414778698 304139690 /nfs/dbraw/zinc/13/96/90/304139690.db2.gz IJCQTOLGNFCAJP-UHFFFAOYSA-N 1 3 327.856 1.742 20 0 EDADHO CN(C[C@H](O)Cn1cccn1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109840 203338784 /nfs/dbraw/zinc/33/87/84/203338784.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 1 3 328.460 1.698 20 0 EDADHO CN(C[C@H](O)Cn1cccn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109840 203338786 /nfs/dbraw/zinc/33/87/86/203338786.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 1 3 328.460 1.698 20 0 EDADHO COCCOc1ccccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133167 304162434 /nfs/dbraw/zinc/16/24/34/304162434.db2.gz BWGAYBVFTFMBKZ-MSOLQXFVSA-N 1 3 346.471 1.912 20 0 EDADHO CCOc1ccccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519162 139019415 /nfs/dbraw/zinc/01/94/15/139019415.db2.gz WGCMWXAMOGXFLX-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO CCC[C@H]([NH3+])C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000236851952 139033495 /nfs/dbraw/zinc/03/34/95/139033495.db2.gz LYQFSQUIQNRTRQ-ZWKOTPCHSA-N 1 3 332.492 1.609 20 0 EDADHO COCCOCCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133317924 205363503 /nfs/dbraw/zinc/36/35/03/205363503.db2.gz IEHDCXSIMJMYAG-UHFFFAOYSA-N 1 3 335.492 1.970 20 0 EDADHO C[C@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000237551193 139053887 /nfs/dbraw/zinc/05/38/87/139053887.db2.gz XHTRDPVADDNSIM-FQEVSTJZSA-N 1 3 344.503 1.705 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237602491 139055437 /nfs/dbraw/zinc/05/54/37/139055437.db2.gz CJHYMDLFRRHHLA-IYBDPMFKSA-N 1 3 337.508 1.996 20 0 EDADHO O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000237904771 139063435 /nfs/dbraw/zinc/06/34/35/139063435.db2.gz MSRBLCRTMKBDHV-SFHVURJKSA-N 1 3 328.460 1.909 20 0 EDADHO O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000238040102 139067349 /nfs/dbraw/zinc/06/73/49/139067349.db2.gz KSNCKTHTGPJBER-IBGZPJMESA-N 1 3 344.503 1.453 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000154047099 205904425 /nfs/dbraw/zinc/90/44/25/205904425.db2.gz WUNHQBQFYRZESA-UHFFFAOYSA-N 1 3 347.503 1.963 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000158251801 206181870 /nfs/dbraw/zinc/18/18/70/206181870.db2.gz ICWMKQJSOGHLSE-FQEVSTJZSA-N 1 3 346.519 1.997 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000158566359 206197726 /nfs/dbraw/zinc/19/77/26/206197726.db2.gz RPYSYCYTBHVVJH-KRWDZBQOSA-N 1 3 330.476 1.780 20 0 EDADHO CN1CCN(CC2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000567910434 306466256 /nfs/dbraw/zinc/46/62/56/306466256.db2.gz WRNCGAMFUSGLGN-QZTJIDSGSA-N 1 3 336.524 1.380 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171194887 206671629 /nfs/dbraw/zinc/67/16/29/206671629.db2.gz KMXLWUOXGWUJRF-INIZCTEOSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855767 139177909 /nfs/dbraw/zinc/17/79/09/139177909.db2.gz PGUPJLIPTGEWFL-HHXXYDBFSA-N 1 3 348.491 1.119 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000249410450 139192876 /nfs/dbraw/zinc/19/28/76/139192876.db2.gz FAILNAPYPNXBGM-KURKYZTESA-N 1 3 339.524 1.972 20 0 EDADHO [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCOCC1 ZINC000261629599 139212725 /nfs/dbraw/zinc/21/27/25/139212725.db2.gz HDGMHWBGRPJEOE-KRWDZBQOSA-N 1 3 331.460 1.695 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000261868831 139232858 /nfs/dbraw/zinc/23/28/58/139232858.db2.gz XPWMCNHOQKRRJR-HUUCEWRRSA-N 1 3 325.522 1.839 20 0 EDADHO O=C(CC[N@@H+]1CCCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000261977060 139241220 /nfs/dbraw/zinc/24/12/20/139241220.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 1 3 330.476 1.016 20 0 EDADHO O=C(CC[N@H+]1CCCN(Cc2ccccc2)CC1)N1CCNCC1 ZINC000261977060 139241221 /nfs/dbraw/zinc/24/12/21/139241221.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 1 3 330.476 1.016 20 0 EDADHO O=C(CCN1CCC[N@H+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000261977060 139241222 /nfs/dbraw/zinc/24/12/22/139241222.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 1 3 330.476 1.016 20 0 EDADHO O=C(CCN1CCC[N@@H+](Cc2ccccc2)CC1)N1CCNCC1 ZINC000261977060 139241223 /nfs/dbraw/zinc/24/12/23/139241223.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 1 3 330.476 1.016 20 0 EDADHO [NH3+][C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)C1CCOCC1 ZINC000262043863 139246252 /nfs/dbraw/zinc/24/62/52/139246252.db2.gz QLUSLUKTKHLDNS-SFHVURJKSA-N 1 3 347.459 1.336 20 0 EDADHO Cc1nc2ccc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038200 139245700 /nfs/dbraw/zinc/24/57/00/139245700.db2.gz XYHCSBGBNIDLEC-AWEZNQCLSA-N 1 3 332.473 1.892 20 0 EDADHO Cc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000262160327 139256235 /nfs/dbraw/zinc/25/62/35/139256235.db2.gz SOIVJFFFWGDLMM-GOSISDBHSA-N 1 3 339.487 1.875 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)F ZINC000416791055 251110971 /nfs/dbraw/zinc/11/09/71/251110971.db2.gz ICWBPUWZKFJZJZ-OAHLLOKOSA-N 1 3 340.418 1.933 20 0 EDADHO CN(CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000416880033 251117332 /nfs/dbraw/zinc/11/73/32/251117332.db2.gz XRECGVRLFDIGGI-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262313305 139269154 /nfs/dbraw/zinc/26/91/54/139269154.db2.gz QESYKELNNFYZME-UHFFFAOYSA-N 1 3 333.432 1.150 20 0 EDADHO CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCc2ccccc2C1 ZINC000417087954 251141848 /nfs/dbraw/zinc/14/18/48/251141848.db2.gz IUTVYOFNZRFMMC-AEFFLSMTSA-N 1 3 342.487 1.827 20 0 EDADHO CC(C)([NH3+])CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417589830 251200115 /nfs/dbraw/zinc/20/01/15/251200115.db2.gz WFKLVUFNLYTOIA-UHFFFAOYSA-N 1 3 340.512 1.837 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562376 251188968 /nfs/dbraw/zinc/18/89/68/251188968.db2.gz FTMBSQYFQOSLPP-OAHLLOKOSA-N 1 3 326.485 1.448 20 0 EDADHO C[C@@H](NC(=O)NCC1(N2CCSCC2)CCCCC1)[C@H](C)[NH3+] ZINC000417622564 251208477 /nfs/dbraw/zinc/20/84/77/251208477.db2.gz HKVFBAFNECJZHN-UONOGXRCSA-N 1 3 328.526 1.773 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417802326 251277004 /nfs/dbraw/zinc/27/70/04/251277004.db2.gz DRWKAUHKBBJGJN-CVEARBPZSA-N 1 3 340.512 1.563 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417812157 251281408 /nfs/dbraw/zinc/28/14/08/251281408.db2.gz PHCYCDYFIPDJRA-HNNXBMFYSA-N 1 3 328.501 1.693 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418121357 251333337 /nfs/dbraw/zinc/33/33/37/251333337.db2.gz WQNZPSMCYRZNBZ-OWCLPIDISA-N 1 3 326.485 1.399 20 0 EDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000262524850 139284154 /nfs/dbraw/zinc/28/41/54/139284154.db2.gz KGTPTQWICHJBAD-YDHLFZDLSA-N 1 3 332.448 1.306 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418426815 251368400 /nfs/dbraw/zinc/36/84/00/251368400.db2.gz KIXKNTFCZPYWSP-NVXWUHKLSA-N 1 3 333.480 1.012 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262651738 139293191 /nfs/dbraw/zinc/29/31/91/139293191.db2.gz RMGVCELXJJDLHC-GDBMZVCRSA-N 1 3 346.475 1.696 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262651738 139293192 /nfs/dbraw/zinc/29/31/92/139293192.db2.gz RMGVCELXJJDLHC-GDBMZVCRSA-N 1 3 346.475 1.696 20 0 EDADHO COC[C@H](CCC[NH3+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000422874849 252008957 /nfs/dbraw/zinc/00/89/57/252008957.db2.gz DKGAMTSPPVTJDY-ZOBUZTSGSA-N 1 3 336.480 1.539 20 0 EDADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423043867 252027646 /nfs/dbraw/zinc/02/76/46/252027646.db2.gz AESIOSZDWNIGNL-IAGOWNOFSA-N 1 3 337.489 1.976 20 0 EDADHO CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2CN)(N2CCOCC2)C1 ZINC000423073634 252034969 /nfs/dbraw/zinc/03/49/69/252034969.db2.gz JKSZWLFVBNOPRK-PBHCIXSXSA-N 1 3 325.497 1.363 20 0 EDADHO CCOC1CC(CN[C@@H]2CCCC[C@H]2C[NH3+])(N2CCOCC2)C1 ZINC000423073634 252034972 /nfs/dbraw/zinc/03/49/72/252034972.db2.gz JKSZWLFVBNOPRK-PBHCIXSXSA-N 1 3 325.497 1.363 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC[NH2+]C1 ZINC000423357084 252052623 /nfs/dbraw/zinc/05/26/23/252052623.db2.gz LLJYYXPZMZJLRM-AZUAARDMSA-N 1 3 345.487 1.874 20 0 EDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422907051 252018895 /nfs/dbraw/zinc/01/88/95/252018895.db2.gz ASZSGYABRYGRDO-SJORKVTESA-N 1 3 332.492 1.831 20 0 EDADHO NC[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015350 252114351 /nfs/dbraw/zinc/11/43/51/252114351.db2.gz ZEHPLYPLHGINMS-OKZBNKHCSA-N 1 3 327.403 1.821 20 0 EDADHO O=C(CNC[C@@H]1CCCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423785747 252073206 /nfs/dbraw/zinc/07/32/06/252073206.db2.gz ABSMWQCWRDHZCF-SFHVURJKSA-N 1 3 337.508 1.870 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000262937850 139314018 /nfs/dbraw/zinc/31/40/18/139314018.db2.gz UGCJTLPLFPUULW-AWEZNQCLSA-N 1 3 329.510 1.218 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262940228 139314097 /nfs/dbraw/zinc/31/40/97/139314097.db2.gz ULTICFGPZABXGJ-SJORKVTESA-N 1 3 330.476 1.455 20 0 EDADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475018 252245070 /nfs/dbraw/zinc/24/50/70/252245070.db2.gz YJIOLVHKANDVIV-IAGOWNOFSA-N 1 3 344.459 1.477 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843315 285034415 /nfs/dbraw/zinc/03/44/15/285034415.db2.gz WOKGLBHEWRMREQ-IRXDYDNUSA-N 1 3 340.512 1.517 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(O)c1 ZINC000263708577 139354496 /nfs/dbraw/zinc/35/44/96/139354496.db2.gz QBOMDMOYDSMVGW-QGZVFWFLSA-N 1 3 333.476 1.809 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cccc(O)c1 ZINC000263708577 139354497 /nfs/dbraw/zinc/35/44/97/139354497.db2.gz QBOMDMOYDSMVGW-QGZVFWFLSA-N 1 3 333.476 1.809 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3CC(F)(F)C3)CC2)CC1 ZINC000488507346 255044556 /nfs/dbraw/zinc/04/45/56/255044556.db2.gz XDAANGWTTRPFHU-UHFFFAOYSA-N 1 3 344.450 1.890 20 0 EDADHO CC(C)(C)OC(=O)N1CC2(CC(NC[C@@H](O)C[NH+]3CCCC3)C2)C1 ZINC000495980609 255336693 /nfs/dbraw/zinc/33/66/93/255336693.db2.gz JNMYQZPEGREVAF-OAHLLOKOSA-N 1 3 339.480 1.432 20 0 EDADHO CCC[NH+]1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000119678985 221374448 /nfs/dbraw/zinc/37/44/48/221374448.db2.gz VYDDKFRMMPSMIJ-UHFFFAOYSA-N 1 3 325.478 1.341 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000367927657 285358144 /nfs/dbraw/zinc/35/81/44/285358144.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 1 3 336.398 1.875 20 0 EDADHO O[C@H](COCC(F)(F)F)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000367927657 285358145 /nfs/dbraw/zinc/35/81/45/285358145.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 1 3 336.398 1.875 20 0 EDADHO C[C@H](NC(=O)NCC1(N(C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000571184064 306560322 /nfs/dbraw/zinc/56/03/22/306560322.db2.gz YRFNDXDWHBYLHP-MAUKXSAKSA-N 1 3 344.503 1.773 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000571400923 306564367 /nfs/dbraw/zinc/56/43/67/306564367.db2.gz FSOLJRAURIQKDT-SWLSCSKDSA-N 1 3 325.403 1.853 20 0 EDADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000271452511 140297762 /nfs/dbraw/zinc/29/77/62/140297762.db2.gz UZYMPZPTEWDXCK-VQTJNVASSA-N 1 3 329.488 1.915 20 0 EDADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000271452511 140297763 /nfs/dbraw/zinc/29/77/63/140297763.db2.gz UZYMPZPTEWDXCK-VQTJNVASSA-N 1 3 329.488 1.915 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000333186064 141277925 /nfs/dbraw/zinc/27/79/25/141277925.db2.gz SXMAJMKQUGWTKD-ROUUACIJSA-N 1 3 343.475 1.995 20 0 EDADHO C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701016 141361275 /nfs/dbraw/zinc/36/12/75/141361275.db2.gz QUYTXKNXMLGDET-OAGGEKHMSA-N 1 3 338.496 1.269 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000345594067 143109678 /nfs/dbraw/zinc/10/96/78/143109678.db2.gz LUFSJXKFCZWADS-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000345594067 143109679 /nfs/dbraw/zinc/10/96/79/143109679.db2.gz LUFSJXKFCZWADS-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H](C)O1 ZINC000345695878 143122507 /nfs/dbraw/zinc/12/25/07/143122507.db2.gz QGJNJXHISDJMOO-DFGXFYAUSA-N 1 3 325.497 1.900 20 0 EDADHO [NH3+][C@H]1CCC[C@H](C(=O)NCCCN2CCN(c3ccncc3)CC2)C1 ZINC000346280561 143186507 /nfs/dbraw/zinc/18/65/07/143186507.db2.gz JJSLVVIGZXZAJS-IRXDYDNUSA-N 1 3 345.491 1.227 20 0 EDADHO C[NH2+]CCC1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000346686605 143231864 /nfs/dbraw/zinc/23/18/64/143231864.db2.gz ROYYXLVGUVPUGB-UHFFFAOYSA-N 1 3 332.496 1.050 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)N(C)C1 ZINC000346700961 143234290 /nfs/dbraw/zinc/23/42/90/143234290.db2.gz JBFNEWMVTSBBTC-HZPDHXFCSA-N 1 3 325.497 1.676 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccccc2OCC2CC2)C1 ZINC000347019994 143272333 /nfs/dbraw/zinc/27/23/33/143272333.db2.gz MOZIATHDTPKFEN-KRWDZBQOSA-N 1 3 331.460 1.762 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)N1CCN(CC2CCOCC2)CC1 ZINC000347244705 143299544 /nfs/dbraw/zinc/29/95/44/143299544.db2.gz ZOCBSOUWRCMAQK-UHFFFAOYSA-N 1 3 338.496 1.226 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 ZINC000416844788 304351460 /nfs/dbraw/zinc/35/14/60/304351460.db2.gz QMCJQBBJLSGSET-ZIAGYGMSSA-N 1 3 338.477 1.254 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846837 304351621 /nfs/dbraw/zinc/35/16/21/304351621.db2.gz UQDJZNNAWPFWCH-PKOBYXMFSA-N 1 3 346.475 1.329 20 0 EDADHO CCCN(CCN1CCCC1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352884970 149202537 /nfs/dbraw/zinc/20/25/37/149202537.db2.gz CFEATOFZWIKGER-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000416971243 304357834 /nfs/dbraw/zinc/35/78/34/304357834.db2.gz PFAUURBUFYOMIB-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000416978053 304359691 /nfs/dbraw/zinc/35/96/91/304359691.db2.gz QQJWUTXJZPUSCL-GOSISDBHSA-N 1 3 330.476 1.996 20 0 EDADHO C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355510578 150298257 /nfs/dbraw/zinc/29/82/57/150298257.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355510578 150298260 /nfs/dbraw/zinc/29/82/60/150298260.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)NCC[NH3+])CC2)c1 ZINC000417055416 304367212 /nfs/dbraw/zinc/36/72/12/304367212.db2.gz XDAYIFCIFGEBIO-UHFFFAOYSA-N 1 3 333.480 1.155 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1OCCN(C)C ZINC000261643610 286221735 /nfs/dbraw/zinc/22/17/35/286221735.db2.gz CVRTUGPVSUJTDV-HZPDHXFCSA-N 1 3 349.475 1.627 20 0 EDADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CCOC1 ZINC000358048774 151247702 /nfs/dbraw/zinc/24/77/02/151247702.db2.gz QJCZHRVXOIBEGK-MSOLQXFVSA-N 1 3 333.476 1.883 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000417112583 304373119 /nfs/dbraw/zinc/37/31/19/304373119.db2.gz MKPYCEWHOWHBTO-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000360694136 152155739 /nfs/dbraw/zinc/15/57/39/152155739.db2.gz LIYPXIPFMSSQLG-HNNXBMFYSA-N 1 3 342.553 1.797 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000360694136 152155740 /nfs/dbraw/zinc/15/57/40/152155740.db2.gz LIYPXIPFMSSQLG-HNNXBMFYSA-N 1 3 342.553 1.797 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@@H+]1C ZINC000360743694 152180575 /nfs/dbraw/zinc/18/05/75/152180575.db2.gz FYCHPTGPIJPVSQ-YCPHGPKFSA-N 1 3 328.526 1.548 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(N(C)C)CCSC2)CC[N@H+]1C ZINC000360743694 152180577 /nfs/dbraw/zinc/18/05/77/152180577.db2.gz FYCHPTGPIJPVSQ-YCPHGPKFSA-N 1 3 328.526 1.548 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000360796819 152208934 /nfs/dbraw/zinc/20/89/34/152208934.db2.gz HXJCYAYIBOZYDW-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000360796819 152208937 /nfs/dbraw/zinc/20/89/37/152208937.db2.gz HXJCYAYIBOZYDW-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000361108372 152308054 /nfs/dbraw/zinc/30/80/54/152308054.db2.gz CCCFCCMRWHJGME-SJORKVTESA-N 1 3 335.492 1.998 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182206 152328038 /nfs/dbraw/zinc/32/80/38/152328038.db2.gz XCCYSCMQKREGEI-GFCCVEGCSA-N 1 3 330.423 1.882 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417154004 304378413 /nfs/dbraw/zinc/37/84/13/304378413.db2.gz PSDXGJKOAXKZBI-QGZVFWFLSA-N 1 3 347.507 1.625 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819948 153066133 /nfs/dbraw/zinc/06/61/33/153066133.db2.gz KFPZBSHSWMIZFC-IPMKNSEASA-N 1 3 344.503 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819948 153066134 /nfs/dbraw/zinc/06/61/34/153066134.db2.gz KFPZBSHSWMIZFC-IPMKNSEASA-N 1 3 344.503 1.432 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000364160129 153159267 /nfs/dbraw/zinc/15/92/67/153159267.db2.gz IXWBORNAHLTGIY-QGZVFWFLSA-N 1 3 330.476 1.700 20 0 EDADHO COc1ccnc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1OC ZINC000364537148 153262436 /nfs/dbraw/zinc/26/24/36/153262436.db2.gz NZKYROAAPRPDHG-MRXNPFEDSA-N 1 3 348.491 1.699 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226278 304385942 /nfs/dbraw/zinc/38/59/42/304385942.db2.gz ZKMRBOCVQZLGNK-NRSFXHEJSA-N 1 3 328.460 1.683 20 0 EDADHO CO[C@H]1CCN(C(=O)NCCN(C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234162 304386761 /nfs/dbraw/zinc/38/67/61/304386761.db2.gz UMHRIRFMQRCYJF-SJORKVTESA-N 1 3 334.464 1.266 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417357200 304394421 /nfs/dbraw/zinc/39/44/21/304394421.db2.gz GHPBDJSNUBVLJD-INIZCTEOSA-N 1 3 348.491 1.768 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(C2CCOCC2)CC1 ZINC000369529633 155074323 /nfs/dbraw/zinc/07/43/23/155074323.db2.gz DHPYOQDQWKYFKQ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000574861121 306658046 /nfs/dbraw/zinc/65/80/46/306658046.db2.gz NJIXCBMRQSEQGE-IRXDYDNUSA-N 1 3 334.464 1.275 20 0 EDADHO C[C@H](CN1CCN(C)CC1)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000372064570 156229571 /nfs/dbraw/zinc/22/95/71/156229571.db2.gz GEHLPPGFJPKSRX-NCXUSEDFSA-N 1 3 338.540 1.101 20 0 EDADHO COCCCN1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000364218612 292351204 /nfs/dbraw/zinc/35/12/04/292351204.db2.gz HWGDUFOIOKFJMG-UHFFFAOYSA-N 1 3 325.497 1.857 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373877979 157045388 /nfs/dbraw/zinc/04/53/88/157045388.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373877979 157045392 /nfs/dbraw/zinc/04/53/92/157045392.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO COCCCNC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299357 157232603 /nfs/dbraw/zinc/23/26/03/157232603.db2.gz YBMZYPXBAOXDKB-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO COCCCNC(=O)[C@@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374299357 157232607 /nfs/dbraw/zinc/23/26/07/157232607.db2.gz YBMZYPXBAOXDKB-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1CCN(CCCN2CCc3ccccc3[C@@H]2C(N)=O)CC1 ZINC000374320897 157242462 /nfs/dbraw/zinc/24/24/62/157242462.db2.gz NRYUHJOTBPNITR-LJQANCHMSA-N 1 3 344.503 1.487 20 0 EDADHO COc1ccc([C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH2+]C3)CCCN2C)cc1 ZINC000374462607 157299271 /nfs/dbraw/zinc/29/92/71/157299271.db2.gz ZGJMTWZBGVFZBT-SOLBZPMBSA-N 1 3 331.460 1.804 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123578 158085380 /nfs/dbraw/zinc/08/53/80/158085380.db2.gz ZLVZADDVLKMCIW-SJLPKXTDSA-N 1 3 347.507 1.828 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000378123578 158085382 /nfs/dbraw/zinc/08/53/82/158085382.db2.gz ZLVZADDVLKMCIW-SJLPKXTDSA-N 1 3 347.507 1.828 20 0 EDADHO CSCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000378209448 158109771 /nfs/dbraw/zinc/10/97/71/158109771.db2.gz ZADCADOJPSFHJT-APIJFGDWSA-N 1 3 329.510 1.072 20 0 EDADHO CSCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000378209448 158109772 /nfs/dbraw/zinc/10/97/72/158109772.db2.gz ZADCADOJPSFHJT-APIJFGDWSA-N 1 3 329.510 1.072 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000378322078 158140044 /nfs/dbraw/zinc/14/00/44/158140044.db2.gz ZWIIVTNYXKESQM-MWDXBVQZSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)N(C)C ZINC000378322078 158140048 /nfs/dbraw/zinc/14/00/48/158140048.db2.gz ZWIIVTNYXKESQM-MWDXBVQZSA-N 1 3 325.497 1.722 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@H](OC)CN2C)CC1 ZINC000347519656 161785334 /nfs/dbraw/zinc/78/53/34/161785334.db2.gz QSUKPVIDAKBSQX-CVEARBPZSA-N 1 3 326.485 1.221 20 0 EDADHO Cc1cccc(NC(=O)CN2CCN(CC3CC[NH2+]CC3)CC2)c1C ZINC000178977949 292564895 /nfs/dbraw/zinc/56/48/95/292564895.db2.gz VQUYKLIZHCEANO-UHFFFAOYSA-N 1 3 344.503 1.859 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418386741 304489083 /nfs/dbraw/zinc/48/90/83/304489083.db2.gz LUSZFZBMWJFDLA-ZDUSSCGKSA-N 1 3 342.434 1.894 20 0 EDADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCN1CCCC1(C)C ZINC000496818034 277198700 /nfs/dbraw/zinc/19/87/00/277198700.db2.gz HOBOVXUWCYXOAP-UHFFFAOYSA-N 1 3 327.473 1.499 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000349645579 277221026 /nfs/dbraw/zinc/22/10/26/277221026.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000349645579 277221029 /nfs/dbraw/zinc/22/10/29/277221029.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 1 3 340.512 1.659 20 0 EDADHO C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000246204238 277273421 /nfs/dbraw/zinc/27/34/21/277273421.db2.gz FFGVONJAYNCHDP-AEFFLSMTSA-N 1 3 332.492 1.337 20 0 EDADHO CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCN1 ZINC000333370214 278301231 /nfs/dbraw/zinc/30/12/31/278301231.db2.gz MIGSWNZDYIRZDJ-HOTGVXAUSA-N 1 3 338.496 1.148 20 0 EDADHO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCN1CCCCCC1 ZINC000496526601 278430100 /nfs/dbraw/zinc/43/01/00/278430100.db2.gz DETPAWPFBVORPG-UHFFFAOYSA-N 1 3 327.473 1.501 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H](C)O1 ZINC000367627973 278746931 /nfs/dbraw/zinc/74/69/31/278746931.db2.gz HBCHCMCVYKVQPV-VXIBKDFQSA-N 1 3 337.508 1.772 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000362969404 288090001 /nfs/dbraw/zinc/09/00/01/288090001.db2.gz LYCUIQTUQCYASY-CJNGLKHVSA-N 1 3 332.448 1.691 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000362969404 288090003 /nfs/dbraw/zinc/09/00/03/288090003.db2.gz LYCUIQTUQCYASY-CJNGLKHVSA-N 1 3 332.448 1.691 20 0 EDADHO CCN1CCN(C(=O)[C@@H](C)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000343579609 279092661 /nfs/dbraw/zinc/09/26/61/279092661.db2.gz LZKRVZQDNBUPQZ-QGZVFWFLSA-N 1 3 338.540 1.593 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333769649 279190666 /nfs/dbraw/zinc/19/06/66/279190666.db2.gz FDMDSRDSRWPUFO-KBAYOESNSA-N 1 3 337.508 1.996 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCC(OC)CC1 ZINC000349384250 279329107 /nfs/dbraw/zinc/32/91/07/279329107.db2.gz WGAHSKXCVPKEOI-INIZCTEOSA-N 1 3 340.512 1.565 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCC(OC)CC1 ZINC000349384250 279329109 /nfs/dbraw/zinc/32/91/09/279329109.db2.gz WGAHSKXCVPKEOI-INIZCTEOSA-N 1 3 340.512 1.565 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123506 288163044 /nfs/dbraw/zinc/16/30/44/288163044.db2.gz ZCSWUGHBULKXAW-PMPSAXMXSA-N 1 3 326.485 1.304 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083380 288205405 /nfs/dbraw/zinc/20/54/05/288205405.db2.gz GWLBRFGRCRQFRM-KBAYOESNSA-N 1 3 337.508 1.772 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105798 280246043 /nfs/dbraw/zinc/24/60/43/280246043.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105798 280246046 /nfs/dbraw/zinc/24/60/46/280246046.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 1 3 339.528 1.040 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C2CCN(C)CC2)[C@@H](C)C1 ZINC000357606154 282007883 /nfs/dbraw/zinc/00/78/83/282007883.db2.gz LHPCJWVSJSWFLJ-HOTGVXAUSA-N 1 3 338.540 1.780 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000375202401 282070872 /nfs/dbraw/zinc/07/08/72/282070872.db2.gz QKRCENQLPQQPIS-CVEARBPZSA-N 1 3 338.496 1.271 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250234 /nfs/dbraw/zinc/25/02/34/289250234.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 1 3 327.472 1.989 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250238 /nfs/dbraw/zinc/25/02/38/289250238.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 1 3 327.472 1.989 20 0 EDADHO CN(C[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478522 289380247 /nfs/dbraw/zinc/38/02/47/289380247.db2.gz YDDZHRPVDNLBIL-SOUVJXGZSA-N 1 3 329.485 1.677 20 0 EDADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496478522 289380249 /nfs/dbraw/zinc/38/02/49/289380249.db2.gz YDDZHRPVDNLBIL-SOUVJXGZSA-N 1 3 329.485 1.677 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000418512486 304506399 /nfs/dbraw/zinc/50/63/99/304506399.db2.gz FPUIEDQAAANYOE-INIZCTEOSA-N 1 3 334.464 1.378 20 0 EDADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377032476 297263116 /nfs/dbraw/zinc/26/31/16/297263116.db2.gz RBKXUFWLKSNGPT-GUDVDZBRSA-N 1 3 335.540 1.172 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)CN1CCCCCC1 ZINC000419117547 304566456 /nfs/dbraw/zinc/56/64/56/304566456.db2.gz HLXWIYLUWVTGNF-CVEARBPZSA-N 1 3 340.512 1.199 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639157 447311070 /nfs/dbraw/zinc/31/10/70/447311070.db2.gz CDGSLKCRDNPOHW-GOEBONIOSA-N 1 3 346.475 1.100 20 0 EDADHO O=C1[C@@H](N2CCN(CC[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000420295026 304744545 /nfs/dbraw/zinc/74/45/45/304744545.db2.gz BUZABHWKGRTLNI-MJGOQNOKSA-N 1 3 342.487 1.409 20 0 EDADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372855765 447319121 /nfs/dbraw/zinc/31/91/21/447319121.db2.gz ILJSAISYENPRGJ-GOSISDBHSA-N 1 3 348.466 1.106 20 0 EDADHO CCN1CCN(c2ccccc2CN2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000414766641 447324685 /nfs/dbraw/zinc/32/46/85/447324685.db2.gz IBSGILWAIUTUSY-LJQANCHMSA-N 1 3 334.483 1.962 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293663948 303000240 /nfs/dbraw/zinc/00/02/40/303000240.db2.gz PTQWDOJXJHKEMF-HNNXBMFYSA-N 1 3 346.475 1.381 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000448521340 447327084 /nfs/dbraw/zinc/32/70/84/447327084.db2.gz OCVOHDCGPJRZFO-HLLBOEOZSA-N 1 3 342.553 1.795 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2(N(C)C)CCSC2)[C@H](C)C1 ZINC000448521340 447327090 /nfs/dbraw/zinc/32/70/90/447327090.db2.gz OCVOHDCGPJRZFO-HLLBOEOZSA-N 1 3 342.553 1.795 20 0 EDADHO CCOc1cccc(CNCCN2CC[NH2+]CC2)c1OC(F)F ZINC000414866571 447334254 /nfs/dbraw/zinc/33/42/54/447334254.db2.gz NEQKKMVTQRYWRL-UHFFFAOYSA-N 1 3 329.391 1.682 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422917225 304880274 /nfs/dbraw/zinc/88/02/74/304880274.db2.gz FQISWUFAHZSPOV-DZGCQCFKSA-N 1 3 325.840 1.789 20 0 EDADHO Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](N1CCOCC1)C(F)(F)F ZINC000423114408 304887184 /nfs/dbraw/zinc/88/71/84/304887184.db2.gz VOSXKMUJBLBEOC-XHDPSFHLSA-N 1 3 346.397 1.762 20 0 EDADHO C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC(C[NH3+])CC1 ZINC000430605315 305058447 /nfs/dbraw/zinc/05/84/47/305058447.db2.gz QNYYYXLTSSZJQM-AWEZNQCLSA-N 1 3 328.460 1.886 20 0 EDADHO CN(CCCOc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431030162 305073080 /nfs/dbraw/zinc/07/30/80/305073080.db2.gz JWVOIPHLRZQOAR-UHFFFAOYSA-N 1 3 345.487 1.989 20 0 EDADHO COc1ccccc1CNC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431037731 305073367 /nfs/dbraw/zinc/07/33/67/305073367.db2.gz PKLDXJCBUKARLQ-HNNXBMFYSA-N 1 3 331.460 1.775 20 0 EDADHO CC1CCN(CCNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433289393 305105060 /nfs/dbraw/zinc/10/50/60/305105060.db2.gz PNESRXDCTZDUTH-KRWDZBQOSA-N 1 3 340.512 1.518 20 0 EDADHO CC1CCN(CCNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433289393 305105061 /nfs/dbraw/zinc/10/50/61/305105061.db2.gz PNESRXDCTZDUTH-KRWDZBQOSA-N 1 3 340.512 1.518 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338602 305106098 /nfs/dbraw/zinc/10/60/98/305106098.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000433338602 305106099 /nfs/dbraw/zinc/10/60/99/305106099.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 1 3 328.501 1.517 20 0 EDADHO C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C ZINC000433387914 305107560 /nfs/dbraw/zinc/10/75/60/305107560.db2.gz SHNHSHZXGDTRDD-BZUAXINKSA-N 1 3 333.480 1.800 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413853 305108512 /nfs/dbraw/zinc/10/85/12/305108512.db2.gz VHAYUXADLPCSEO-ARFHVFGLSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CN1C1CC1 ZINC000433413853 305108513 /nfs/dbraw/zinc/10/85/13/305108513.db2.gz VHAYUXADLPCSEO-ARFHVFGLSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433862641 305114106 /nfs/dbraw/zinc/11/41/06/305114106.db2.gz MRBMAAMEULBYQZ-WMLDXEAASA-N 1 3 339.505 1.709 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2)CC1 ZINC000434697873 305128048 /nfs/dbraw/zinc/12/80/48/305128048.db2.gz BMMFPGADVVSOFA-HOTGVXAUSA-N 1 3 330.476 1.651 20 0 EDADHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000434697873 305128049 /nfs/dbraw/zinc/12/80/49/305128049.db2.gz BMMFPGADVVSOFA-HOTGVXAUSA-N 1 3 330.476 1.651 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436310960 305155774 /nfs/dbraw/zinc/15/57/74/305155774.db2.gz YEEGAJJWSHWMIV-CRAIPNDOSA-N 1 3 337.533 1.854 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549618 305187076 /nfs/dbraw/zinc/18/70/76/305187076.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CN1CCN(C)CC1 ZINC000438549618 305187077 /nfs/dbraw/zinc/18/70/77/305187077.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 1 3 336.524 1.393 20 0 EDADHO CN1CCN(CCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1(C)C ZINC000440980978 305215572 /nfs/dbraw/zinc/21/55/72/305215572.db2.gz NMFAUSNBWAHYNZ-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443686421 305240940 /nfs/dbraw/zinc/24/09/40/305240940.db2.gz XBHHFQYYJMVCPW-YYIAUSFCSA-N 1 3 325.497 1.865 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000443686421 305240941 /nfs/dbraw/zinc/24/09/41/305240941.db2.gz XBHHFQYYJMVCPW-YYIAUSFCSA-N 1 3 325.497 1.865 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000414897884 447349212 /nfs/dbraw/zinc/34/92/12/447349212.db2.gz ADDVQXWJPDGIRL-UHFFFAOYSA-N 1 3 348.491 1.970 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621198 305268119 /nfs/dbraw/zinc/26/81/19/305268119.db2.gz VUAWVUKXZHBNIE-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@H]1C[C@@H](CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663818 305673798 /nfs/dbraw/zinc/67/37/98/305673798.db2.gz PWUFWVHUNLUUMA-KBPBESRZSA-N 1 3 327.469 1.336 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000516469822 305737307 /nfs/dbraw/zinc/73/73/07/305737307.db2.gz UFCQKCOJLAPRCQ-QAPCUYQASA-N 1 3 342.443 1.706 20 0 EDADHO CN(C)C1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000519118936 305766636 /nfs/dbraw/zinc/76/66/36/305766636.db2.gz QROMPVXTFQGUTM-HNNXBMFYSA-N 1 3 330.476 1.384 20 0 EDADHO CN1CCC(CCO)(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548392314 306126541 /nfs/dbraw/zinc/12/65/41/306126541.db2.gz XNCZGKIISFJASX-UHFFFAOYSA-N 1 3 325.497 1.604 20 0 EDADHO CN1CCC(CCO)(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548392314 306126542 /nfs/dbraw/zinc/12/65/42/306126542.db2.gz XNCZGKIISFJASX-UHFFFAOYSA-N 1 3 325.497 1.604 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000414949392 447370866 /nfs/dbraw/zinc/37/08/66/447370866.db2.gz ZHRGXNPLZQODQX-WMLDXEAASA-N 1 3 346.475 1.580 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000414951759 447371278 /nfs/dbraw/zinc/37/12/78/447371278.db2.gz QBTHOXZNQYVSPU-GDBMZVCRSA-N 1 3 330.432 1.217 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccc(Br)cn1 ZINC000665237074 453618376 /nfs/dbraw/zinc/61/83/76/453618376.db2.gz ZMTUXUYDKVTAFT-ZJUUUORDSA-N 1 3 329.242 1.289 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497912 447389905 /nfs/dbraw/zinc/38/99/05/447389905.db2.gz HWQWKGDWYOABPF-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCSC1 ZINC000458497912 447389913 /nfs/dbraw/zinc/38/99/13/447389913.db2.gz HWQWKGDWYOABPF-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415113307 447390506 /nfs/dbraw/zinc/39/05/06/447390506.db2.gz DYFPPIODYUWFDD-CQSZACIVSA-N 1 3 332.448 1.465 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665364666 453668020 /nfs/dbraw/zinc/66/80/20/453668020.db2.gz VDAQOXBUTWAVRN-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665364666 453668025 /nfs/dbraw/zinc/66/80/25/453668025.db2.gz VDAQOXBUTWAVRN-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415425651 447426803 /nfs/dbraw/zinc/42/68/03/447426803.db2.gz LLTQGXGDIYOFTR-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO C[NH+](C)CC1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCCC1 ZINC000458646203 447438105 /nfs/dbraw/zinc/43/81/05/447438105.db2.gz GIOGKVIBOWENHR-MRXNPFEDSA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H](CCNC(=O)N[C@H]1CCCN(CCCO)C1)[NH+]1CCCCC1 ZINC000458648630 447437821 /nfs/dbraw/zinc/43/78/21/447437821.db2.gz MFVJQZYDYUOKLM-IRXDYDNUSA-N 1 3 340.512 1.397 20 0 EDADHO CN(CCNC(=O)C1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000081156105 441236498 /nfs/dbraw/zinc/23/64/98/441236498.db2.gz KIVAKKZUHQCZJU-UHFFFAOYSA-N 1 3 347.503 1.718 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105193090 441242023 /nfs/dbraw/zinc/24/20/23/441242023.db2.gz BVXNMJOECCTCBD-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105193090 441242027 /nfs/dbraw/zinc/24/20/27/441242027.db2.gz BVXNMJOECCTCBD-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)CC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000063732530 441348232 /nfs/dbraw/zinc/34/82/32/441348232.db2.gz MEWGWRRERIMBCP-IBGZPJMESA-N 1 3 346.519 1.823 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000074229092 441411274 /nfs/dbraw/zinc/41/12/74/441411274.db2.gz GLPKWPCRZJZIFS-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000074229092 441411278 /nfs/dbraw/zinc/41/12/78/441411278.db2.gz GLPKWPCRZJZIFS-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436749 /nfs/dbraw/zinc/43/67/49/441436749.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 1 3 338.496 1.101 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436753 /nfs/dbraw/zinc/43/67/53/441436753.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 1 3 338.496 1.101 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000074616374 441450146 /nfs/dbraw/zinc/45/01/46/441450146.db2.gz PJCYQOIOSZWBPT-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000136919806 441732002 /nfs/dbraw/zinc/73/20/02/441732002.db2.gz JBUMWNGKTPAUNJ-UHFFFAOYSA-N 1 3 348.491 1.872 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068080433 441723740 /nfs/dbraw/zinc/72/37/40/441723740.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 1 3 347.503 1.983 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068080433 441723745 /nfs/dbraw/zinc/72/37/45/441723745.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 1 3 347.503 1.983 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000115810212 441779824 /nfs/dbraw/zinc/77/98/24/441779824.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000115810212 441779832 /nfs/dbraw/zinc/77/98/32/441779832.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000077788409 441861134 /nfs/dbraw/zinc/86/11/34/441861134.db2.gz OCNIZFHCVBZHHV-QGZVFWFLSA-N 1 3 336.455 1.948 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1Cc2ccccc2C1 ZINC000077799277 441861832 /nfs/dbraw/zinc/86/18/32/441861832.db2.gz COKGUWZBOVJJOL-UHFFFAOYSA-N 1 3 347.507 1.137 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(c2ccncc2)CC1)C[NH+]1CCCC1 ZINC000123037764 441874120 /nfs/dbraw/zinc/87/41/20/441874120.db2.gz HJSXABYHZZAYOU-INIZCTEOSA-N 1 3 331.464 1.645 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000126029964 442070827 /nfs/dbraw/zinc/07/08/27/442070827.db2.gz DRQHXBLRQKYNOL-HOCLYGCPSA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474400 442095820 /nfs/dbraw/zinc/09/58/20/442095820.db2.gz IBBCTULQGRNQQG-IJEWVQPXSA-N 1 3 325.478 1.283 20 0 EDADHO COc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673069 442114011 /nfs/dbraw/zinc/11/40/11/442114011.db2.gz GXADAECTLOWBNX-UMVBOHGHSA-N 1 3 335.448 1.378 20 0 EDADHO COc1cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)ccc1OCC(N)=O ZINC000162673190 442114145 /nfs/dbraw/zinc/11/41/45/442114145.db2.gz GXADAECTLOWBNX-VNHYZAJKSA-N 1 3 335.448 1.378 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000162792445 442122895 /nfs/dbraw/zinc/12/28/95/442122895.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000162792445 442122899 /nfs/dbraw/zinc/12/28/99/442122899.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000162792445 442122903 /nfs/dbraw/zinc/12/29/03/442122903.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000162792445 442122906 /nfs/dbraw/zinc/12/29/06/442122906.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000162797531 442124011 /nfs/dbraw/zinc/12/40/11/442124011.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000162797531 442124015 /nfs/dbraw/zinc/12/40/15/442124015.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000162797531 442124016 /nfs/dbraw/zinc/12/40/16/442124016.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1 ZINC000162797531 442124020 /nfs/dbraw/zinc/12/40/20/442124020.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 1 3 348.487 1.989 20 0 EDADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000168093173 442222899 /nfs/dbraw/zinc/22/28/99/442222899.db2.gz LBKJVJYCGAOTNB-OALUTQOASA-N 1 3 345.487 1.690 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000127848045 442229135 /nfs/dbraw/zinc/22/91/35/442229135.db2.gz MDZUZAQAEHHACS-UHFFFAOYSA-N 1 3 348.491 1.971 20 0 EDADHO C[C@H](C(=O)NC1CCCCC1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377317 442334307 /nfs/dbraw/zinc/33/43/07/442334307.db2.gz YYMZXAONROKJFI-MRXNPFEDSA-N 1 3 338.540 1.782 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000186265496 442499361 /nfs/dbraw/zinc/49/93/61/442499361.db2.gz FDEMRJPTKVHOLW-UHFFFAOYSA-N 1 3 328.460 1.478 20 0 EDADHO C[NH2+]C[C@H](C)C(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178857108 442504622 /nfs/dbraw/zinc/50/46/22/442504622.db2.gz IUJAUQZYDNAKAG-HRCADAONSA-N 1 3 325.497 1.580 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186590238 442567402 /nfs/dbraw/zinc/56/74/02/442567402.db2.gz NTQJFJNGRBZYJK-SJORKVTESA-N 1 3 348.516 1.647 20 0 EDADHO CN1CCN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn2)CC1 ZINC000192645066 442672028 /nfs/dbraw/zinc/67/20/28/442672028.db2.gz IEVJXXKENOWLCM-AYHJJNSGSA-N 1 3 329.492 1.548 20 0 EDADHO CN1CCN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn2)CC1 ZINC000192645066 442672029 /nfs/dbraw/zinc/67/20/29/442672029.db2.gz IEVJXXKENOWLCM-AYHJJNSGSA-N 1 3 329.492 1.548 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000193317958 442732290 /nfs/dbraw/zinc/73/22/90/442732290.db2.gz XGWMNBUUWKGKNW-YOEHRIQHSA-N 1 3 346.475 1.919 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000268132535 442862651 /nfs/dbraw/zinc/86/26/51/442862651.db2.gz DRQWRNXUTNMNMX-QAPCUYQASA-N 1 3 344.503 1.677 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183220383 442906093 /nfs/dbraw/zinc/90/60/93/442906093.db2.gz XPDZAESIKVAPOH-MRXNPFEDSA-N 1 3 348.491 1.826 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccnc(OCCN(C)C)c2)C1 ZINC000183220383 442906097 /nfs/dbraw/zinc/90/60/97/442906097.db2.gz XPDZAESIKVAPOH-MRXNPFEDSA-N 1 3 348.491 1.826 20 0 EDADHO C[C@@H]1CC(O)C[C@@H](C)N1CCOCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248748976 442923920 /nfs/dbraw/zinc/92/39/20/442923920.db2.gz GBDOCMFXDRYICI-KLHDSHLOSA-N 1 3 328.497 1.470 20 0 EDADHO CN(C)CCN(C)CCC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000623087957 450398572 /nfs/dbraw/zinc/39/85/72/450398572.db2.gz QLKYARAUNVNTBI-UHFFFAOYSA-N 1 3 330.480 1.455 20 0 EDADHO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N(C)C ZINC000268758172 443099533 /nfs/dbraw/zinc/09/95/33/443099533.db2.gz ZAXSZIDLLFMGQM-SFHVURJKSA-N 1 3 333.476 1.600 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000268770349 443103537 /nfs/dbraw/zinc/10/35/37/443103537.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000268770349 443103540 /nfs/dbraw/zinc/10/35/40/443103540.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000268770349 443103544 /nfs/dbraw/zinc/10/35/44/443103544.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 1 3 331.504 1.724 20 0 EDADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245483265 443231368 /nfs/dbraw/zinc/23/13/68/443231368.db2.gz FBKOXPGFIFVWSJ-ZWKOTPCHSA-N 1 3 332.492 1.907 20 0 EDADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@@H](N2CC=CC2)C1 ZINC000245483265 443231370 /nfs/dbraw/zinc/23/13/70/443231370.db2.gz FBKOXPGFIFVWSJ-ZWKOTPCHSA-N 1 3 332.492 1.907 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)nc1 ZINC000266683315 443207195 /nfs/dbraw/zinc/20/71/95/443207195.db2.gz ROWVPSJAFIJOKR-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)nc1 ZINC000266683315 443207197 /nfs/dbraw/zinc/20/71/97/443207197.db2.gz ROWVPSJAFIJOKR-SFHVURJKSA-N 1 3 347.507 1.948 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000382719093 319124707 /nfs/dbraw/zinc/12/47/07/319124707.db2.gz JVUFSVXDGGLGIV-NXHRZFHOSA-N 1 3 331.460 1.616 20 0 EDADHO C[NH+](C)[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000266815491 443254061 /nfs/dbraw/zinc/25/40/61/443254061.db2.gz INMSKQYFURQNNO-GOSISDBHSA-N 1 3 330.476 1.361 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414190593 319318657 /nfs/dbraw/zinc/31/86/57/319318657.db2.gz KQFJYRQQIZUNAR-IAGOWNOFSA-N 1 3 339.524 1.576 20 0 EDADHO CN1CCC(C[NH2+][C@H]2CCC[C@@H]2CCF)(N2CCOCC2)CC1 ZINC000414202703 319319080 /nfs/dbraw/zinc/31/90/80/319319080.db2.gz UNFVLMSBUBMISW-SJORKVTESA-N 1 3 327.488 1.901 20 0 EDADHO O=C(C[C@H]1CNCCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269267405 443258513 /nfs/dbraw/zinc/25/85/13/443258513.db2.gz ZWWCAWQBXMOGDY-HNNXBMFYSA-N 1 3 337.489 1.455 20 0 EDADHO COC(=O)c1cc(CN(C)C[C@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684764 319342381 /nfs/dbraw/zinc/34/23/81/319342381.db2.gz WPEQVEXDQNKZIC-CYBMUJFWSA-N 1 3 337.420 1.004 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415236393 319355076 /nfs/dbraw/zinc/35/50/76/319355076.db2.gz FMBFRQMINUVZCE-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415236393 319355077 /nfs/dbraw/zinc/35/50/77/319355077.db2.gz FMBFRQMINUVZCE-CQSZACIVSA-N 1 3 346.475 1.507 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415749518 319369728 /nfs/dbraw/zinc/36/97/28/319369728.db2.gz RDDJAKKUXBXKFD-HOTGVXAUSA-N 1 3 344.459 1.063 20 0 EDADHO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000269283530 443266160 /nfs/dbraw/zinc/26/61/60/443266160.db2.gz GXSSPHAOCFWHQG-IRXDYDNUSA-N 1 3 345.491 1.180 20 0 EDADHO CN(C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000416839102 319465934 /nfs/dbraw/zinc/46/59/34/319465934.db2.gz JJSXJFYNYTYUEJ-OKYOBFRVSA-N 1 3 344.503 1.928 20 0 EDADHO C[C@@H](NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000422739116 319736008 /nfs/dbraw/zinc/73/60/08/319736008.db2.gz KNVOZKYQLKMQPO-DGCLKSJQSA-N 1 3 340.265 1.767 20 0 EDADHO O=C1CCN(CNCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000273096574 443538111 /nfs/dbraw/zinc/53/81/11/443538111.db2.gz OXMSJHMPKWYDFK-FQEVSTJZSA-N 1 3 345.487 1.644 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264963973 443493618 /nfs/dbraw/zinc/49/36/18/443493618.db2.gz ATQWZCMHBCHGRW-GOSISDBHSA-N 1 3 330.476 1.641 20 0 EDADHO C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000265414914 443634722 /nfs/dbraw/zinc/63/47/22/443634722.db2.gz ICBFEEPJDADKJZ-ROUUACIJSA-N 1 3 346.475 1.233 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000449715885 320201752 /nfs/dbraw/zinc/20/17/52/320201752.db2.gz BXCDAFPMYJEUHT-ZWKOTPCHSA-N 1 3 344.503 1.751 20 0 EDADHO CC(C)[C@H](CNC(=O)NCCOCCN(C)C)[NH+]1CCC(C)CC1 ZINC000471647584 320353119 /nfs/dbraw/zinc/35/31/19/320353119.db2.gz QIDHYABNRJPBJA-KRWDZBQOSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361455 /nfs/dbraw/zinc/36/14/55/320361455.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 1 3 334.508 1.983 20 0 EDADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361456 /nfs/dbraw/zinc/36/14/56/320361456.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 1 3 334.508 1.983 20 0 EDADHO CNC(=O)c1ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527376205 320508244 /nfs/dbraw/zinc/50/82/44/320508244.db2.gz DGKSXNYRRJXJPM-UHFFFAOYSA-N 1 3 349.479 1.312 20 0 EDADHO COc1cc(CN2CCC[C@@H]2CO)cc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000292658436 443810411 /nfs/dbraw/zinc/81/04/11/443810411.db2.gz PQRDHFNPULIVKL-QZTJIDSGSA-N 1 3 334.460 1.609 20 0 EDADHO COc1cc(CN2CCC[C@@H]2CO)cc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000292658436 443810413 /nfs/dbraw/zinc/81/04/13/443810413.db2.gz PQRDHFNPULIVKL-QZTJIDSGSA-N 1 3 334.460 1.609 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000299402280 444037913 /nfs/dbraw/zinc/03/79/13/444037913.db2.gz CLPNBIKFTCOWRD-UHFFFAOYSA-N 1 3 336.480 1.768 20 0 EDADHO C[NH+](C)CCn1nccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000562476458 321059596 /nfs/dbraw/zinc/05/95/96/321059596.db2.gz NARNEKKBCGXYNI-UHFFFAOYSA-N 1 3 334.468 1.537 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000562674416 321068671 /nfs/dbraw/zinc/06/86/71/321068671.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000562674416 321068673 /nfs/dbraw/zinc/06/86/73/321068673.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 1 3 340.512 1.253 20 0 EDADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000566089634 321214256 /nfs/dbraw/zinc/21/42/56/321214256.db2.gz AHRQVLMWEISEEZ-GYTBAZASSA-N 1 3 325.522 1.838 20 0 EDADHO CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000566107552 321215786 /nfs/dbraw/zinc/21/57/86/321215786.db2.gz MZCHNVXVWNFQCA-MAUKXSAKSA-N 1 3 349.475 1.706 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000567735693 321256325 /nfs/dbraw/zinc/25/63/25/321256325.db2.gz PWOYGQDUNZMGON-HZPDHXFCSA-N 1 3 348.491 1.127 20 0 EDADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000570665465 321352981 /nfs/dbraw/zinc/35/29/81/321352981.db2.gz KNKYXLULRRTODW-ROUUACIJSA-N 1 3 345.491 1.026 20 0 EDADHO COC[C@]1(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCC[NH2+]1 ZINC000570942803 321365701 /nfs/dbraw/zinc/36/57/01/321365701.db2.gz HQFCXZWSTCLXST-LISAXSMJSA-N 1 3 338.496 1.127 20 0 EDADHO CN(CCCN(C)[C@@H]1CCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000289457158 444150030 /nfs/dbraw/zinc/15/00/30/444150030.db2.gz PTCSKCXYSUKTEP-GOSISDBHSA-N 1 3 332.492 1.607 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460453 444150170 /nfs/dbraw/zinc/15/01/70/444150170.db2.gz OJJFLSAUTRXAAB-MRXNPFEDSA-N 1 3 336.480 1.649 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460453 444150174 /nfs/dbraw/zinc/15/01/74/444150174.db2.gz OJJFLSAUTRXAAB-MRXNPFEDSA-N 1 3 336.480 1.649 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(C[C@H](C)O)C2CCCCC2)CC1 ZINC000303973437 444238080 /nfs/dbraw/zinc/23/80/80/444238080.db2.gz GWLAFWFDCKLKJN-HNNXBMFYSA-N 1 3 325.497 1.602 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@H](O)C(C)(C)C)CC2)CC1 ZINC000304134730 444242660 /nfs/dbraw/zinc/24/26/60/444242660.db2.gz ROSZMJSOJBXLAT-INIZCTEOSA-N 1 3 340.512 1.251 20 0 EDADHO CCn1nc(C)c(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976450 444288657 /nfs/dbraw/zinc/28/86/57/444288657.db2.gz WDLPGTROXDBYDO-SJLPKXTDSA-N 1 3 347.507 1.600 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000580887291 322107760 /nfs/dbraw/zinc/10/77/60/322107760.db2.gz LNSPZFFAQOIJTN-ARFHVFGLSA-N 1 3 348.491 1.751 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123066 444640360 /nfs/dbraw/zinc/64/03/60/444640360.db2.gz ASIMQTWSLJHAQG-DXEWXGHRSA-N 1 3 336.480 1.007 20 0 EDADHO COCCN1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000341473934 444850254 /nfs/dbraw/zinc/85/02/54/444850254.db2.gz STEIZAPJDINDTA-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341561403 444895459 /nfs/dbraw/zinc/89/54/59/444895459.db2.gz SLBRTEIUMZMBPK-HZPDHXFCSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000330716346 445109126 /nfs/dbraw/zinc/10/91/26/445109126.db2.gz UFNIRRMLFUCLJE-CQSZACIVSA-N 1 3 336.484 1.639 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC(C)C ZINC000342047482 445142871 /nfs/dbraw/zinc/14/28/71/445142871.db2.gz WWEXFKDGBIJSLK-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000342047482 445142874 /nfs/dbraw/zinc/14/28/74/445142874.db2.gz WWEXFKDGBIJSLK-MRXNPFEDSA-N 1 3 340.512 1.023 20 0 EDADHO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000342050424 445145302 /nfs/dbraw/zinc/14/53/02/445145302.db2.gz QXQLQEVULZVZBD-GOSISDBHSA-N 1 3 338.540 1.783 20 0 EDADHO CCNC(=O)C[C@H]1CCCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000342050424 445145305 /nfs/dbraw/zinc/14/53/05/445145305.db2.gz QXQLQEVULZVZBD-GOSISDBHSA-N 1 3 338.540 1.783 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000343347809 445206825 /nfs/dbraw/zinc/20/68/25/445206825.db2.gz SBOFYBRWZNMASX-UHFFFAOYSA-N 1 3 342.487 1.820 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3=CC[N@@H+](C)CC3)cc2)CC1 ZINC000343347809 445206826 /nfs/dbraw/zinc/20/68/26/445206826.db2.gz SBOFYBRWZNMASX-UHFFFAOYSA-N 1 3 342.487 1.820 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429555 445221372 /nfs/dbraw/zinc/22/13/72/445221372.db2.gz CDSAUPHTIBXJTO-JKSUJKDBSA-N 1 3 329.400 1.236 20 0 EDADHO CCN1CCC[C@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000351768498 445314503 /nfs/dbraw/zinc/31/45/03/445314503.db2.gz WMTBYAAMQIEMKF-DLBZAZTESA-N 1 3 340.512 1.613 20 0 EDADHO O=C(CCOC1C[NH2+]C1)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000349011502 445475935 /nfs/dbraw/zinc/47/59/35/445475935.db2.gz YMUSLJDDLNVDFY-UHFFFAOYSA-N 1 3 347.459 1.208 20 0 EDADHO CC[NH+](CC)CCCC1CCN(CCN2CCCS2(=O)=O)CC1 ZINC000359841849 445455821 /nfs/dbraw/zinc/45/58/21/445455821.db2.gz GONFBHMGHDSHOZ-UHFFFAOYSA-N 1 3 345.553 1.856 20 0 EDADHO COC[C@@]1(CNC(=O)c2oc3ccccc3c2CN(C)C)CCC[NH2+]1 ZINC000357267504 445517003 /nfs/dbraw/zinc/51/70/03/445517003.db2.gz FNJVUBBNBJHQIC-IBGZPJMESA-N 1 3 345.443 1.993 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000359914590 445486174 /nfs/dbraw/zinc/48/61/74/445486174.db2.gz UWSNKRNDAHCWMS-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000359914590 445486180 /nfs/dbraw/zinc/48/61/80/445486180.db2.gz UWSNKRNDAHCWMS-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481905 445622847 /nfs/dbraw/zinc/62/28/47/445622847.db2.gz LAWZAVPYVFATON-KBPBESRZSA-N 1 3 329.366 1.857 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(N)C(F)(F)F ZINC000353481905 445622850 /nfs/dbraw/zinc/62/28/50/445622850.db2.gz LAWZAVPYVFATON-KBPBESRZSA-N 1 3 329.366 1.857 20 0 EDADHO CC[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353555239 445654266 /nfs/dbraw/zinc/65/42/66/445654266.db2.gz ZHGKEXMXDSGAQP-HOTGVXAUSA-N 1 3 326.481 1.791 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)NCc3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000353699641 445714464 /nfs/dbraw/zinc/71/44/64/445714464.db2.gz FUVNVULDEXBZAC-MSOLQXFVSA-N 1 3 330.476 1.984 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904118 445716639 /nfs/dbraw/zinc/71/66/39/445716639.db2.gz PDWDLNLSOXEGHG-IRXDYDNUSA-N 1 3 338.496 1.367 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000349955645 445733239 /nfs/dbraw/zinc/73/32/39/445733239.db2.gz ZMXREZOAGOAIOR-BRWVUGGUSA-N 1 3 340.512 1.659 20 0 EDADHO CCN1CCN(c2ccccc2C[NH+]2CCC(O)(COC)CC2)CC1 ZINC000353885170 445797478 /nfs/dbraw/zinc/79/74/78/445797478.db2.gz ZINDBADOVQFRDQ-UHFFFAOYSA-N 1 3 347.503 1.802 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356452918 445797614 /nfs/dbraw/zinc/79/76/14/445797614.db2.gz BLMPKMIKYXTYPK-KRWDZBQOSA-N 1 3 348.491 1.903 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356452918 445797619 /nfs/dbraw/zinc/79/76/19/445797619.db2.gz BLMPKMIKYXTYPK-KRWDZBQOSA-N 1 3 348.491 1.903 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC000350686259 445879917 /nfs/dbraw/zinc/87/99/17/445879917.db2.gz VPSCWWXYAARZIA-INIZCTEOSA-N 1 3 325.497 1.602 20 0 EDADHO CCN(CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC1 ZINC000361768183 445927875 /nfs/dbraw/zinc/92/78/75/445927875.db2.gz CXWMSFRHGDTQGY-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369198704 445988073 /nfs/dbraw/zinc/98/80/73/445988073.db2.gz YXEUOFVJFJTAOJ-QZTJIDSGSA-N 1 3 345.491 1.639 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000365994840 445950709 /nfs/dbraw/zinc/95/07/09/445950709.db2.gz FRKSPTDHUPOPFU-MAUKXSAKSA-N 1 3 342.503 1.341 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000365994840 445950711 /nfs/dbraw/zinc/95/07/11/445950711.db2.gz FRKSPTDHUPOPFU-MAUKXSAKSA-N 1 3 342.503 1.341 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000365994840 445950714 /nfs/dbraw/zinc/95/07/14/445950714.db2.gz FRKSPTDHUPOPFU-MAUKXSAKSA-N 1 3 342.503 1.341 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000359224469 446055159 /nfs/dbraw/zinc/05/51/59/446055159.db2.gz ILIBOZWUBXGQQA-INIZCTEOSA-N 1 3 346.475 1.663 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COC2CCOCC2)c1 ZINC000583807467 326143481 /nfs/dbraw/zinc/14/34/81/326143481.db2.gz MXGCIHBHGKVDGJ-GOSISDBHSA-N 1 3 336.476 1.784 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COC2CCOCC2)c1 ZINC000583807467 326143484 /nfs/dbraw/zinc/14/34/84/326143484.db2.gz MXGCIHBHGKVDGJ-GOSISDBHSA-N 1 3 336.476 1.784 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000583932760 326168255 /nfs/dbraw/zinc/16/82/55/326168255.db2.gz IKAWVBRRMWDYMR-MAUKXSAKSA-N 1 3 330.476 1.986 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2CN)C1 ZINC000583932760 326168259 /nfs/dbraw/zinc/16/82/59/326168259.db2.gz IKAWVBRRMWDYMR-MAUKXSAKSA-N 1 3 330.476 1.986 20 0 EDADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359242228 446073850 /nfs/dbraw/zinc/07/38/50/446073850.db2.gz VMQNNNHCFFSURQ-KRWDZBQOSA-N 1 3 330.476 1.997 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359359498 446172542 /nfs/dbraw/zinc/17/25/42/446172542.db2.gz KSQMCTKKHCEVNO-INIZCTEOSA-N 1 3 346.475 1.663 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359363600 446174987 /nfs/dbraw/zinc/17/49/87/446174987.db2.gz RUEDCTHJXYFYDZ-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000359363600 446174990 /nfs/dbraw/zinc/17/49/90/446174990.db2.gz RUEDCTHJXYFYDZ-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359319188 446146905 /nfs/dbraw/zinc/14/69/05/446146905.db2.gz PWNMZEKNYLJJLS-OAHLLOKOSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359319188 446146907 /nfs/dbraw/zinc/14/69/07/446146907.db2.gz PWNMZEKNYLJJLS-OAHLLOKOSA-N 1 3 338.496 1.223 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000359396213 446198150 /nfs/dbraw/zinc/19/81/50/446198150.db2.gz XWOAZMIXYGVAQV-MRXNPFEDSA-N 1 3 340.512 1.212 20 0 EDADHO COCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362151050 446237774 /nfs/dbraw/zinc/23/77/74/446237774.db2.gz RKHVSVIEVLAUEC-QAPCUYQASA-N 1 3 337.508 1.866 20 0 EDADHO CN(CCC[NH+]1CCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000374100302 446352992 /nfs/dbraw/zinc/35/29/92/446352992.db2.gz SGKUTVUVUJFGSD-UHFFFAOYSA-N 1 3 337.508 1.966 20 0 EDADHO COCC1(CNC(=O)NCCN2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000417531961 446363164 /nfs/dbraw/zinc/36/31/64/446363164.db2.gz KDCAZFJXTWMQCT-HOTGVXAUSA-N 1 3 340.512 1.565 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417580814 446365086 /nfs/dbraw/zinc/36/50/86/446365086.db2.gz GICLJQRFEQJFQI-OAHLLOKOSA-N 1 3 340.512 1.707 20 0 EDADHO CCCN(C(=O)NC[C@H](C)CN1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759237 446371774 /nfs/dbraw/zinc/37/17/74/446371774.db2.gz WBPXORNFHOCVAI-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CN1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000417936830 446391241 /nfs/dbraw/zinc/39/12/41/446391241.db2.gz HUUHDMMOOSQIOU-FGTMMUONSA-N 1 3 328.460 1.968 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)ccn1 ZINC000417947979 446395985 /nfs/dbraw/zinc/39/59/85/446395985.db2.gz IMDNIJGOGLAFBZ-SFHVURJKSA-N 1 3 349.479 1.211 20 0 EDADHO C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H](C)[NH3+] ZINC000418077396 446434289 /nfs/dbraw/zinc/43/42/89/446434289.db2.gz STOKOINEXUEOHL-UXLLHSPISA-N 1 3 334.464 1.312 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H](N)c2ccccc2)CCCO1 ZINC000418116594 446442250 /nfs/dbraw/zinc/44/22/50/446442250.db2.gz QOQOBYJNRJBYMV-DOTOQJQBSA-N 1 3 334.464 1.487 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H](N)c2ccccc2)CCCO1 ZINC000418116594 446442254 /nfs/dbraw/zinc/44/22/54/446442254.db2.gz QOQOBYJNRJBYMV-DOTOQJQBSA-N 1 3 334.464 1.487 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1)N(C)C ZINC000418183185 446449137 /nfs/dbraw/zinc/44/91/37/446449137.db2.gz NUTQGURRJGRKCO-RYRKJORJSA-N 1 3 348.491 1.745 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CCN1Cc1ccccc1 ZINC000418184992 446451030 /nfs/dbraw/zinc/45/10/30/446451030.db2.gz AHISLZUMSNSPND-BPLDGKMQSA-N 1 3 340.418 1.931 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370723719 446404158 /nfs/dbraw/zinc/40/41/58/446404158.db2.gz XNKYJKRCYKCYIL-QZTJIDSGSA-N 1 3 349.519 1.964 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000370723719 446404162 /nfs/dbraw/zinc/40/41/62/446404162.db2.gz XNKYJKRCYKCYIL-QZTJIDSGSA-N 1 3 349.519 1.964 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418011925 446415295 /nfs/dbraw/zinc/41/52/95/446415295.db2.gz LIFXDAYVSLDVJB-HHXXYDBFSA-N 1 3 330.476 1.887 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418191166 446454340 /nfs/dbraw/zinc/45/43/40/446454340.db2.gz KKYGMACMSOVUKI-NRSFXHEJSA-N 1 3 328.460 1.510 20 0 EDADHO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N(C)C ZINC000418257525 446475344 /nfs/dbraw/zinc/47/53/44/446475344.db2.gz NCPIKTOAFLXDKC-GHJWDPDVSA-N 1 3 340.418 1.660 20 0 EDADHO C[NH2+]CCCNC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000418274748 446480117 /nfs/dbraw/zinc/48/01/17/446480117.db2.gz BMCJHUFFBWTKRH-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315349 446480459 /nfs/dbraw/zinc/48/04/59/446480459.db2.gz LXDGQIMFMMPGRM-ROUUACIJSA-N 1 3 332.492 1.609 20 0 EDADHO C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423334016 446493246 /nfs/dbraw/zinc/49/32/46/446493246.db2.gz QGRNUTFDGAZOGW-ILXRZTDVSA-N 1 3 333.480 1.727 20 0 EDADHO COc1cc(CN2C[C@H](O)C[C@@H]2C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772975 446502608 /nfs/dbraw/zinc/50/26/08/446502608.db2.gz YTOQFOHZAWGWJX-LBTBCDHLSA-N 1 3 334.460 1.605 20 0 EDADHO COc1cc(CN2C[C@H](O)C[C@@H]2C)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772975 446502623 /nfs/dbraw/zinc/50/26/23/446502623.db2.gz YTOQFOHZAWGWJX-LBTBCDHLSA-N 1 3 334.460 1.605 20 0 EDADHO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336409 446506038 /nfs/dbraw/zinc/50/60/38/446506038.db2.gz MIDJIYDZPCNVQE-KFWWJZLASA-N 1 3 347.459 1.962 20 0 EDADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000423388641 446513416 /nfs/dbraw/zinc/51/34/16/446513416.db2.gz UIOMNGCNCFJCAW-MAUKXSAKSA-N 1 3 333.476 1.674 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418364766 446514671 /nfs/dbraw/zinc/51/46/71/446514671.db2.gz OGJJJOICXYQCAT-KRWDZBQOSA-N 1 3 339.528 1.173 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000411482934 446563542 /nfs/dbraw/zinc/56/35/42/446563542.db2.gz BEAPLNCMFFDLBT-QGZVFWFLSA-N 1 3 325.497 1.508 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492174 446563633 /nfs/dbraw/zinc/56/36/33/446563633.db2.gz PECUETOKIGNVPL-NVXWUHKLSA-N 1 3 333.480 1.672 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCCN1CCO)C1CCCCC1 ZINC000418377701 446520953 /nfs/dbraw/zinc/52/09/53/446520953.db2.gz JFOAWEMBQDJGGC-JKSUJKDBSA-N 1 3 326.485 1.040 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000418399489 446529917 /nfs/dbraw/zinc/52/99/17/446529917.db2.gz LENMJXFUNUDEBL-KRWDZBQOSA-N 1 3 334.464 1.506 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418415573 446535863 /nfs/dbraw/zinc/53/58/63/446535863.db2.gz NWEYKSCWYIEABU-HKUYNNGSSA-N 1 3 348.491 1.296 20 0 EDADHO O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CCC2CC[NH2+]CC2)C1 ZINC000420363232 446542685 /nfs/dbraw/zinc/54/26/85/446542685.db2.gz BMFNEDNNWOVNOW-QGZVFWFLSA-N 1 3 343.537 1.703 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H](C)[NH3+] ZINC000423452976 446543828 /nfs/dbraw/zinc/54/38/28/446543828.db2.gz ZTMUYCDDQJEWTI-KXBFYZLASA-N 1 3 347.503 1.879 20 0 EDADHO COc1ccc([C@@H](CN)C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)cc1 ZINC000420365084 446544541 /nfs/dbraw/zinc/54/45/41/446544541.db2.gz RUFPPSWNEZXTBI-KDOFPFPSSA-N 1 3 333.476 1.974 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000418447228 446545128 /nfs/dbraw/zinc/54/51/28/446545128.db2.gz QEIDYBRQBCOBIG-RDJZCZTQSA-N 1 3 336.480 1.971 20 0 EDADHO Cc1ccc(CCN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405975 446580476 /nfs/dbraw/zinc/58/04/76/446580476.db2.gz QFRBQHOJRBAGMD-OALUTQOASA-N 1 3 342.487 1.758 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102438 446581129 /nfs/dbraw/zinc/58/11/29/446581129.db2.gz TWSLCTGYDSFINM-SFHVURJKSA-N 1 3 342.487 1.990 20 0 EDADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418619910 446618842 /nfs/dbraw/zinc/61/88/42/446618842.db2.gz CNDRVNWBIFUENA-QGZVFWFLSA-N 1 3 348.491 1.564 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418555383 446591902 /nfs/dbraw/zinc/59/19/02/446591902.db2.gz DOPYDYYDGXUUAX-JQFCIGGWSA-N 1 3 334.464 1.595 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418563266 446595431 /nfs/dbraw/zinc/59/54/31/446595431.db2.gz SEBPWUVFRPTFIY-KRWDZBQOSA-N 1 3 347.507 1.183 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225432 446654430 /nfs/dbraw/zinc/65/44/30/446654430.db2.gz CQUXEHNTXTXSTE-QZTJIDSGSA-N 1 3 328.460 1.921 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH3+])[C@H]3C)CC2)c1 ZINC000423646312 446623491 /nfs/dbraw/zinc/62/34/91/446623491.db2.gz LSUYEDUHKDERPB-AEFFLSMTSA-N 1 3 330.476 1.455 20 0 EDADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418634666 446625137 /nfs/dbraw/zinc/62/51/37/446625137.db2.gz JMAWVEOQMHEECD-KRWDZBQOSA-N 1 3 330.476 1.999 20 0 EDADHO COCC1(CNC(=O)N2CCN(C3CCCC3)CC2)CC[NH2+]CC1 ZINC000418640131 446627792 /nfs/dbraw/zinc/62/77/92/446627792.db2.gz NXDRVVUXNGZXCE-UHFFFAOYSA-N 1 3 338.496 1.272 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000423757971 446687027 /nfs/dbraw/zinc/68/70/27/446687027.db2.gz NFXSIDFNYCAQII-RBUKOAKNSA-N 1 3 344.503 1.357 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000423757971 446687036 /nfs/dbraw/zinc/68/70/36/446687036.db2.gz NFXSIDFNYCAQII-RBUKOAKNSA-N 1 3 344.503 1.357 20 0 EDADHO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000371303671 446760111 /nfs/dbraw/zinc/76/01/11/446760111.db2.gz PRSFVOMYMLNISU-MRXNPFEDSA-N 1 3 336.505 1.028 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1(C)C ZINC000424004524 446818873 /nfs/dbraw/zinc/81/88/73/446818873.db2.gz BFMMVTBAZGJQBQ-RCJHGTSTSA-N 1 3 349.450 1.611 20 0 EDADHO CN1CCN(c2ncc(CN3CCCC34CC[NH+](C)CC4)cn2)CC1 ZINC000375511471 446862310 /nfs/dbraw/zinc/86/23/10/446862310.db2.gz OVXZSUOHOJBAAO-UHFFFAOYSA-N 1 3 344.507 1.289 20 0 EDADHO COCCCN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420921586 446889196 /nfs/dbraw/zinc/88/91/96/446889196.db2.gz VBRYDMZPJUVXGC-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CN ZINC000419135826 446946203 /nfs/dbraw/zinc/94/62/03/446946203.db2.gz NTBALSNFRRRTSF-ILXRZTDVSA-N 1 3 340.512 1.055 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059598 447001098 /nfs/dbraw/zinc/00/10/98/447001098.db2.gz NEVUYIPMICXZEQ-CQSZACIVSA-N 1 3 339.867 1.896 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377536842 447188607 /nfs/dbraw/zinc/18/86/07/447188607.db2.gz XNQUNQFPUJJNCL-DFGXFYAUSA-N 1 3 345.443 1.028 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377536842 447188612 /nfs/dbraw/zinc/18/86/12/447188612.db2.gz XNQUNQFPUJJNCL-DFGXFYAUSA-N 1 3 345.443 1.028 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)Nc2ccnn2CCN(C)C)CC1 ZINC000455661264 447200835 /nfs/dbraw/zinc/20/08/35/447200835.db2.gz UCJHBNQIIKNZAP-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CO[C@H](CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247376 447451271 /nfs/dbraw/zinc/45/12/71/447451271.db2.gz ZIJRXBPZPMXNRK-YTQUADARSA-N 1 3 345.487 1.954 20 0 EDADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354117 447497530 /nfs/dbraw/zinc/49/75/30/447497530.db2.gz HMSCLQQSNJYVFE-CABCVRRESA-N 1 3 340.512 1.020 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@H](O)CN1CCCCC1)C1CC1 ZINC000459135935 447591250 /nfs/dbraw/zinc/59/12/50/447591250.db2.gz BCHKWQWDOCXSQE-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@H](O)CN1CCCCC1)C1CC1 ZINC000459135935 447591255 /nfs/dbraw/zinc/59/12/55/447591255.db2.gz BCHKWQWDOCXSQE-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420119382 447614116 /nfs/dbraw/zinc/61/41/16/447614116.db2.gz IZJWFZMXKHXFFQ-JKSUJKDBSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000422712848 447723668 /nfs/dbraw/zinc/72/36/68/447723668.db2.gz OPOMDVUBLAKMHU-YLJYHZDGSA-N 1 3 346.519 1.291 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000429138196 447729827 /nfs/dbraw/zinc/72/98/27/447729827.db2.gz DXLDCZVOGABIJO-YJBOKZPZSA-N 1 3 330.476 1.638 20 0 EDADHO COc1ccc(OC)c(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422765232 447744311 /nfs/dbraw/zinc/74/43/11/447744311.db2.gz QQRCDQOJGQJRRM-KZNAEPCWSA-N 1 3 334.460 1.993 20 0 EDADHO CN(C)C(=O)COc1ccccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459730484 447754324 /nfs/dbraw/zinc/75/43/24/447754324.db2.gz KGJFDQFCCYBOIX-INIZCTEOSA-N 1 3 333.476 1.975 20 0 EDADHO CN(C)C(=O)COc1ccccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730484 447754326 /nfs/dbraw/zinc/75/43/26/447754326.db2.gz KGJFDQFCCYBOIX-INIZCTEOSA-N 1 3 333.476 1.975 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458333252 447771156 /nfs/dbraw/zinc/77/11/56/447771156.db2.gz AVXVKGOYTNQAOD-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458333252 447771159 /nfs/dbraw/zinc/77/11/59/447771159.db2.gz AVXVKGOYTNQAOD-IXDOHACOSA-N 1 3 340.512 1.395 20 0 EDADHO CC(C)(C[NH3+])C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000430783230 447784837 /nfs/dbraw/zinc/78/48/37/447784837.db2.gz LTMSDKPCOZVJKT-UHFFFAOYSA-N 1 3 337.439 1.770 20 0 EDADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977988 447786348 /nfs/dbraw/zinc/78/63/48/447786348.db2.gz YEVPFNRQINQEBG-SZVBFZGTSA-N 1 3 332.444 1.619 20 0 EDADHO OC[C@H]1CN(Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787092 /nfs/dbraw/zinc/78/70/92/447787092.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 1 3 329.488 1.742 20 0 EDADHO Cc1cc(S(=O)(=O)NCCN[C@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000422996219 447788754 /nfs/dbraw/zinc/78/87/54/447788754.db2.gz LJKAWSOEWNOIGL-KGLIPLIRSA-N 1 3 345.534 1.750 20 0 EDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423053506 447798765 /nfs/dbraw/zinc/79/87/65/447798765.db2.gz SQXGGTACIMBISJ-NVXWUHKLSA-N 1 3 337.489 1.834 20 0 EDADHO CC[C@H](NC1CCN(S(=O)(=O)C(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423077282 447799935 /nfs/dbraw/zinc/79/99/35/447799935.db2.gz SUIFVXPVDZVMED-JKSUJKDBSA-N 1 3 331.526 1.699 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000471645901 447806795 /nfs/dbraw/zinc/80/67/95/447806795.db2.gz JOFJQJISNGQPFX-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113840 447807870 /nfs/dbraw/zinc/80/78/70/447807870.db2.gz ZIERQVOJCRXBMU-DZGCQCFKSA-N 1 3 334.464 1.782 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747637 447877612 /nfs/dbraw/zinc/87/76/12/447877612.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 1 3 341.496 1.773 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496747637 447877618 /nfs/dbraw/zinc/87/76/18/447877618.db2.gz FSSNGJZVYRZSFC-MRXNPFEDSA-N 1 3 341.496 1.773 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)CC1 ZINC000552363161 447947927 /nfs/dbraw/zinc/94/79/27/447947927.db2.gz FBIKQIVGTGVPBR-UHFFFAOYSA-N 1 3 346.519 1.782 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000576220231 448002028 /nfs/dbraw/zinc/00/20/28/448002028.db2.gz HRUXSWSHYIZMAC-QGZVFWFLSA-N 1 3 348.443 1.429 20 0 EDADHO COC(=O)c1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000576220230 448002275 /nfs/dbraw/zinc/00/22/75/448002275.db2.gz HRUXSWSHYIZMAC-KRWDZBQOSA-N 1 3 348.443 1.429 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531056127 448009913 /nfs/dbraw/zinc/00/99/13/448009913.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 1 3 333.476 1.472 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000531056127 448009919 /nfs/dbraw/zinc/00/99/19/448009919.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 1 3 333.476 1.472 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290986 448021495 /nfs/dbraw/zinc/02/14/95/448021495.db2.gz VXNZUFZRSGRKML-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576290986 448021499 /nfs/dbraw/zinc/02/14/99/448021499.db2.gz VXNZUFZRSGRKML-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000531357524 448069637 /nfs/dbraw/zinc/06/96/37/448069637.db2.gz RSLHSIOIQZWIPP-UHFFFAOYSA-N 1 3 349.475 1.342 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)CN1Cc1ccccc1 ZINC000571625458 448181728 /nfs/dbraw/zinc/18/17/28/448181728.db2.gz CSOJQAIPNJHKDI-BPQIPLTHSA-N 1 3 346.475 1.327 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000515029497 448243327 /nfs/dbraw/zinc/24/33/27/448243327.db2.gz SHAOSARWCVLADS-CVEARBPZSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000515029497 448243330 /nfs/dbraw/zinc/24/33/30/448243330.db2.gz SHAOSARWCVLADS-CVEARBPZSA-N 1 3 338.496 1.223 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000562763019 448268573 /nfs/dbraw/zinc/26/85/73/448268573.db2.gz GQVQAKQJMCWJKN-AWEZNQCLSA-N 1 3 334.468 1.661 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C1 ZINC000516024269 448370180 /nfs/dbraw/zinc/37/01/80/448370180.db2.gz NQJXQWTXBGVXCB-YJBOKZPZSA-N 1 3 344.503 1.854 20 0 EDADHO CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000527952790 448396384 /nfs/dbraw/zinc/39/63/84/448396384.db2.gz URSWHBUGNUPZHT-IBGZPJMESA-N 1 3 337.508 1.066 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000566179487 448405573 /nfs/dbraw/zinc/40/55/73/448405573.db2.gz OZEVBUQASULZQV-ZWKOTPCHSA-N 1 3 347.503 1.922 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC2CCN(CCN(C)C)CC2)CC1 ZINC000516586225 448445120 /nfs/dbraw/zinc/44/51/20/448445120.db2.gz OHJFBPQVKIBNIW-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)C[C@H]1COc2ccccc2O1 ZINC000566895556 448578986 /nfs/dbraw/zinc/57/89/86/448578986.db2.gz PWENIDYIYQDJPD-HNNXBMFYSA-N 1 3 335.448 1.168 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000566676098 448535777 /nfs/dbraw/zinc/53/57/77/448535777.db2.gz RVUOZEKDHKHADT-LPHOPBHVSA-N 1 3 344.503 1.438 20 0 EDADHO O=C(NC[C@H]1CNCCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573305694 448591544 /nfs/dbraw/zinc/59/15/44/448591544.db2.gz LHAIKWCAZLOJMA-GOSISDBHSA-N 1 3 346.475 1.825 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907945 448653738 /nfs/dbraw/zinc/65/37/38/448653738.db2.gz MRZSCSJQHPNEGS-SOLBZPMBSA-N 1 3 337.508 1.819 20 0 EDADHO CC(C)[NH2+]CCC(=O)Nc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000567264951 448654076 /nfs/dbraw/zinc/65/40/76/448654076.db2.gz UMUIPCOTTFPCDX-INIZCTEOSA-N 1 3 346.475 1.711 20 0 EDADHO CN1CC[NH+](CCCCNC(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000573687438 448690927 /nfs/dbraw/zinc/69/09/27/448690927.db2.gz HVUQIPGOCLOYKA-GOSISDBHSA-N 1 3 330.476 1.017 20 0 EDADHO [NH3+]C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502348 448704875 /nfs/dbraw/zinc/70/48/75/448704875.db2.gz ICVUBNABMSWKDZ-MRXNPFEDSA-N 1 3 342.443 1.966 20 0 EDADHO NC(=O)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830839 448726124 /nfs/dbraw/zinc/72/61/24/448726124.db2.gz LFDRAPXYHGTXSF-KXBFYZLASA-N 1 3 329.444 1.878 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000567754488 448752666 /nfs/dbraw/zinc/75/26/66/448752666.db2.gz YQWRCGYGPYEVEF-QRQLOZEOSA-N 1 3 344.503 1.943 20 0 EDADHO [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCCNCc3cccnc3)c21 ZINC000592458562 448846689 /nfs/dbraw/zinc/84/66/89/448846689.db2.gz MLEYDJGBSDTKAN-OAHLLOKOSA-N 1 3 342.447 1.024 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000520227300 448873499 /nfs/dbraw/zinc/87/34/99/448873499.db2.gz PRGCKPMEDJFWJB-UHFFFAOYSA-N 1 3 329.448 1.595 20 0 EDADHO CN(C)C(=O)CCN1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000520227300 448873502 /nfs/dbraw/zinc/87/35/02/448873502.db2.gz PRGCKPMEDJFWJB-UHFFFAOYSA-N 1 3 329.448 1.595 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000568372664 448863537 /nfs/dbraw/zinc/86/35/37/448863537.db2.gz GMPMNIOUHLEZIG-JQHSSLGASA-N 1 3 346.475 1.409 20 0 EDADHO CN(CCC(=O)NC(C)(C)CCN1CCN(C)CC1)c1cc[nH+]cc1 ZINC000547785105 448927997 /nfs/dbraw/zinc/92/79/97/448927997.db2.gz GKSZTXOAARBYSV-UHFFFAOYSA-N 1 3 347.507 1.440 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC[C@H](O)[C@H]4C3)CC2)CC1 ZINC000574701988 448937266 /nfs/dbraw/zinc/93/72/66/448937266.db2.gz PXWIFAXECISPRM-WDSOQIARSA-N 1 3 349.519 1.412 20 0 EDADHO CC(C)(C)[C@@H](CO)NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520957149 448941137 /nfs/dbraw/zinc/94/11/37/448941137.db2.gz WBUOSBIZUBYIIY-GOSISDBHSA-N 1 3 347.503 1.895 20 0 EDADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739587 448944085 /nfs/dbraw/zinc/94/40/85/448944085.db2.gz RIMUENLBHMBIMK-QGZVFWFLSA-N 1 3 337.431 1.964 20 0 EDADHO NCc1cn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739587 448944092 /nfs/dbraw/zinc/94/40/92/448944092.db2.gz RIMUENLBHMBIMK-QGZVFWFLSA-N 1 3 337.431 1.964 20 0 EDADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739587 448944096 /nfs/dbraw/zinc/94/40/96/448944096.db2.gz RIMUENLBHMBIMK-QGZVFWFLSA-N 1 3 337.431 1.964 20 0 EDADHO CC(C)[C@H](CNC(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCC(C)CC1 ZINC000574741346 448944446 /nfs/dbraw/zinc/94/44/46/448944446.db2.gz XBUUUOSSOZYPSV-IRXDYDNUSA-N 1 3 339.528 1.027 20 0 EDADHO CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000530220005 449084107 /nfs/dbraw/zinc/08/41/07/449084107.db2.gz AXAOJYLSXPCOOA-MSOLQXFVSA-N 1 3 347.438 1.771 20 0 EDADHO CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000530220005 449084110 /nfs/dbraw/zinc/08/41/10/449084110.db2.gz AXAOJYLSXPCOOA-MSOLQXFVSA-N 1 3 347.438 1.771 20 0 EDADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000597941542 449151528 /nfs/dbraw/zinc/15/15/28/449151528.db2.gz BOTWQJSJPMGHEK-LBPRGKRZSA-N 1 3 341.477 1.537 20 0 EDADHO COC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000597941542 449151530 /nfs/dbraw/zinc/15/15/30/449151530.db2.gz BOTWQJSJPMGHEK-LBPRGKRZSA-N 1 3 341.477 1.537 20 0 EDADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737654 449172475 /nfs/dbraw/zinc/17/24/75/449172475.db2.gz SFONIYYUCJLISL-UXLLHSPISA-N 1 3 333.432 1.587 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000595904506 449244977 /nfs/dbraw/zinc/24/49/77/449244977.db2.gz DWEVDHSLLCJZKT-NVXWUHKLSA-N 1 3 346.475 1.852 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000593913708 449282360 /nfs/dbraw/zinc/28/23/60/449282360.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 1 3 346.475 1.131 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000593913708 449282367 /nfs/dbraw/zinc/28/23/67/449282367.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 1 3 346.475 1.131 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000617504291 449649886 /nfs/dbraw/zinc/64/98/86/449649886.db2.gz OLJCPWPFGWTGGB-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2ccccc2[nH]c1=O ZINC000617504291 449649892 /nfs/dbraw/zinc/64/98/92/449649892.db2.gz OLJCPWPFGWTGGB-AWEZNQCLSA-N 1 3 344.459 1.942 20 0 EDADHO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)sc2nccn12 ZINC000617506148 449653428 /nfs/dbraw/zinc/65/34/28/449653428.db2.gz BWIRYMKPJKHPBK-LBPRGKRZSA-N 1 3 337.493 1.706 20 0 EDADHO Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)sc2nccn12 ZINC000617506148 449653435 /nfs/dbraw/zinc/65/34/35/449653435.db2.gz BWIRYMKPJKHPBK-LBPRGKRZSA-N 1 3 337.493 1.706 20 0 EDADHO COC(=O)c1csc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000602551454 449669069 /nfs/dbraw/zinc/66/90/69/449669069.db2.gz NOLZGGSCJNKPOO-CQSZACIVSA-N 1 3 326.462 1.861 20 0 EDADHO COC(=O)c1csc(CNCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000602551454 449669071 /nfs/dbraw/zinc/66/90/71/449669071.db2.gz NOLZGGSCJNKPOO-CQSZACIVSA-N 1 3 326.462 1.861 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1CCOc2ccc(CN)cc21 ZINC000602575122 449683206 /nfs/dbraw/zinc/68/32/06/449683206.db2.gz BPWBTHPXKLUGLW-UHFFFAOYSA-N 1 3 337.489 1.946 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OCCCO2 ZINC000617502456 449644018 /nfs/dbraw/zinc/64/40/18/449644018.db2.gz POPUSVQNCJLCTD-HNNXBMFYSA-N 1 3 349.475 1.850 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1OCCCO2 ZINC000617502456 449644022 /nfs/dbraw/zinc/64/40/22/449644022.db2.gz POPUSVQNCJLCTD-HNNXBMFYSA-N 1 3 349.475 1.850 20 0 EDADHO Cc1cnc2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)ccn12 ZINC000617502108 449644755 /nfs/dbraw/zinc/64/47/55/449644755.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1cnc2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)ccn12 ZINC000617502108 449644761 /nfs/dbraw/zinc/64/47/61/449644761.db2.gz CLCOJOKCJKRJGY-AWEZNQCLSA-N 1 3 331.464 1.645 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000617504164 449646329 /nfs/dbraw/zinc/64/63/29/449646329.db2.gz INNGZKGKSCHIJX-HDMKZQKVSA-N 1 3 349.475 1.603 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000617504164 449646332 /nfs/dbraw/zinc/64/63/32/449646332.db2.gz INNGZKGKSCHIJX-HDMKZQKVSA-N 1 3 349.475 1.603 20 0 EDADHO Cc1ccn2cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nc2c1 ZINC000617503910 449647609 /nfs/dbraw/zinc/64/76/09/449647609.db2.gz AFZNIJBGFHKSAB-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1ccn2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc2c1 ZINC000617503910 449647610 /nfs/dbraw/zinc/64/76/10/449647610.db2.gz AFZNIJBGFHKSAB-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601328652 449836379 /nfs/dbraw/zinc/83/63/79/449836379.db2.gz WRTIITQMRDDOKT-JKSUJKDBSA-N 1 3 326.485 1.269 20 0 EDADHO COC(=O)c1ccc(CNCC2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000597178387 449855869 /nfs/dbraw/zinc/85/58/69/449855869.db2.gz RTNNHTKCMTVSJX-UHFFFAOYSA-N 1 3 335.448 1.782 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612966177 449961998 /nfs/dbraw/zinc/96/19/98/449961998.db2.gz NQMVBVGVSMHHOS-IAGOWNOFSA-N 1 3 330.476 1.601 20 0 EDADHO CN(CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000615268339 450031954 /nfs/dbraw/zinc/03/19/54/450031954.db2.gz GWPINAJLHOQSCN-IRXDYDNUSA-N 1 3 332.448 1.230 20 0 EDADHO CN(CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C)c1ccncc1 ZINC000615268339 450031956 /nfs/dbraw/zinc/03/19/56/450031956.db2.gz GWPINAJLHOQSCN-IRXDYDNUSA-N 1 3 332.448 1.230 20 0 EDADHO COC(=O)CCN1CC[C@@H](N(C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122372 450082808 /nfs/dbraw/zinc/08/28/08/450082808.db2.gz VUHTUXOEPSDGRM-MRXNPFEDSA-N 1 3 339.480 1.348 20 0 EDADHO CN1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)C1 ZINC000618560756 450244408 /nfs/dbraw/zinc/24/44/08/450244408.db2.gz MLXHGNYZMMCGRH-KRWDZBQOSA-N 1 3 336.455 1.993 20 0 EDADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)N(C)C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000620748044 450538638 /nfs/dbraw/zinc/53/86/38/450538638.db2.gz WYUOZJPZNASEOV-FPCVCCKLSA-N 1 3 340.512 1.115 20 0 EDADHO CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](C)[C@H]1C)N(C)C ZINC000620748044 450538640 /nfs/dbraw/zinc/53/86/40/450538640.db2.gz WYUOZJPZNASEOV-FPCVCCKLSA-N 1 3 340.512 1.115 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106014 450581560 /nfs/dbraw/zinc/58/15/60/450581560.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 1 3 336.524 1.252 20 0 EDADHO CCN1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000621106014 450581563 /nfs/dbraw/zinc/58/15/63/450581563.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 1 3 336.524 1.252 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccccc1 ZINC000626140189 450581593 /nfs/dbraw/zinc/58/15/93/450581593.db2.gz RCNOJCDJYXVZHF-DODZYUBVSA-N 1 3 331.460 1.251 20 0 EDADHO Nc1nc(N)nc(NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000623909235 450632469 /nfs/dbraw/zinc/63/24/69/450632469.db2.gz MGSCIBRVEWIOBC-UHFFFAOYSA-N 1 3 327.436 1.107 20 0 EDADHO CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000627380649 450691738 /nfs/dbraw/zinc/69/17/38/450691738.db2.gz VMJZVYYUTPCWTL-CQSZACIVSA-N 1 3 334.464 1.039 20 0 EDADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113470 450710436 /nfs/dbraw/zinc/71/04/36/450710436.db2.gz GQBGEANGMROGQL-ILXRZTDVSA-N 1 3 329.452 1.023 20 0 EDADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113470 450710440 /nfs/dbraw/zinc/71/04/40/450710440.db2.gz GQBGEANGMROGQL-ILXRZTDVSA-N 1 3 329.452 1.023 20 0 EDADHO c1nnc2ccc(N3CC[C@H](N[C@@H]4CCC[C@@H]4[C@H]4CCC[NH2+]4)C3)nn12 ZINC000629523957 450724441 /nfs/dbraw/zinc/72/44/41/450724441.db2.gz OPDHXBRDXHBSON-ZJIFWQFVSA-N 1 3 341.463 1.213 20 0 EDADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCOCC2)cc1 ZINC000629524759 450725193 /nfs/dbraw/zinc/72/51/93/450725193.db2.gz OOJBKIHWHRXEET-KRWDZBQOSA-N 1 3 345.447 1.516 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CC[N@@H+]1C ZINC000631782039 450771399 /nfs/dbraw/zinc/77/13/99/450771399.db2.gz AGILOFCUKXMQDZ-OKZBNKHCSA-N 1 3 337.508 1.820 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](OCCN3CCCCC3)C2)CC[N@H+]1C ZINC000631782039 450771402 /nfs/dbraw/zinc/77/14/02/450771402.db2.gz AGILOFCUKXMQDZ-OKZBNKHCSA-N 1 3 337.508 1.820 20 0 EDADHO c1ncn(-c2ccccc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000629672819 450777068 /nfs/dbraw/zinc/77/70/68/450777068.db2.gz SYXNNWHGUPMMNN-GOSISDBHSA-N 1 3 341.459 1.858 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC000621656027 450817433 /nfs/dbraw/zinc/81/74/33/450817433.db2.gz FPYRJUXTIMEWHT-GFCCVEGCSA-N 1 3 328.420 1.649 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000631835042 450804760 /nfs/dbraw/zinc/80/47/60/450804760.db2.gz LDESYMUOOGBDNQ-QZTJIDSGSA-N 1 3 332.492 1.609 20 0 EDADHO CCn1nccc1CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000621775101 450862693 /nfs/dbraw/zinc/86/26/93/450862693.db2.gz GEOGQOITCFAJLJ-WBVHZDCISA-N 1 3 333.480 1.026 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000626919209 451003407 /nfs/dbraw/zinc/00/34/07/451003407.db2.gz DANGQUJRRWGPPT-WBVHZDCISA-N 1 3 332.448 1.493 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCC2(N3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939763 451021218 /nfs/dbraw/zinc/02/12/18/451021218.db2.gz NFZKFNXBQQJBNZ-GJZGRUSLSA-N 1 3 340.537 1.788 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000635527335 451024604 /nfs/dbraw/zinc/02/46/04/451024604.db2.gz HCFDPQLTGRUCDY-FGTMMUONSA-N 1 3 330.476 1.998 20 0 EDADHO COCCCN1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626965619 451038613 /nfs/dbraw/zinc/03/86/13/451038613.db2.gz JSTYXKYTRDIGMW-HDICACEKSA-N 1 3 338.496 1.128 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626971333 451042456 /nfs/dbraw/zinc/04/24/56/451042456.db2.gz FCWJFHZRXILKRC-KGLIPLIRSA-N 1 3 326.485 1.316 20 0 EDADHO CN(CCc1ccccc1)CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000635560407 451057183 /nfs/dbraw/zinc/05/71/83/451057183.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 1 3 346.519 1.305 20 0 EDADHO CN(CCc1ccccc1)CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000635560407 451057188 /nfs/dbraw/zinc/05/71/88/451057188.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 1 3 346.519 1.305 20 0 EDADHO CN(CCc1ccccc1)CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000635560407 451057191 /nfs/dbraw/zinc/05/71/91/451057191.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 1 3 346.519 1.305 20 0 EDADHO CN(CCc1ccccc1)CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000635560407 451057196 /nfs/dbraw/zinc/05/71/96/451057196.db2.gz YLCIMADDWRESDV-UHFFFAOYSA-N 1 3 346.519 1.305 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CCC[N@@H+]3C)ccc2[nH]c1=O ZINC000635559841 451057530 /nfs/dbraw/zinc/05/75/30/451057530.db2.gz WAXCFUWJRAISDV-CQSZACIVSA-N 1 3 345.447 1.128 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NC[C@H]3CCC[N@H+]3C)ccc2[nH]c1=O ZINC000635559841 451057535 /nfs/dbraw/zinc/05/75/35/451057535.db2.gz WAXCFUWJRAISDV-CQSZACIVSA-N 1 3 345.447 1.128 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635559822 451058350 /nfs/dbraw/zinc/05/83/50/451058350.db2.gz WAGZTQTVYIEOBU-CYBMUJFWSA-N 1 3 347.463 1.374 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000627033365 451091684 /nfs/dbraw/zinc/09/16/84/451091684.db2.gz HYOALZAMQOFZDH-DOTOQJQBSA-N 1 3 336.480 1.521 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1(C[NH3+])CCOCC1)N(C)C ZINC000627033784 451092988 /nfs/dbraw/zinc/09/29/88/451092988.db2.gz TYKOYVPZMGUCJY-RDJZCZTQSA-N 1 3 348.491 1.793 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627151598 451150030 /nfs/dbraw/zinc/15/00/30/451150030.db2.gz IMIVZWBOYHMAKM-UHFFFAOYSA-N 1 3 340.493 1.329 20 0 EDADHO CCN(C(=O)NCCOCC[NH2+]C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000627174847 451165080 /nfs/dbraw/zinc/16/50/80/451165080.db2.gz TWDGEJIJTCICNP-GOSISDBHSA-N 1 3 348.491 1.528 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCOCCC[NH3+] ZINC000627214622 451191069 /nfs/dbraw/zinc/19/10/69/451191069.db2.gz TYLKVCJOLVOAPT-QGZVFWFLSA-N 1 3 348.491 1.658 20 0 EDADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(CO)CCOC1 ZINC000628366610 451229161 /nfs/dbraw/zinc/22/91/61/451229161.db2.gz URAQVWLBQOMUQW-IBGZPJMESA-N 1 3 334.460 1.744 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)NC3CCN(C4CC4)CC3)cn2)CC1 ZINC000636516364 451257667 /nfs/dbraw/zinc/25/76/67/451257667.db2.gz ADXJLQKOIMPRBG-UHFFFAOYSA-N 1 3 346.479 1.898 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)CCC3C[NH2+]C3)ccc2oc1=O ZINC000638091742 451257764 /nfs/dbraw/zinc/25/77/64/451257764.db2.gz XSINVDCZGXQMOG-UHFFFAOYSA-N 1 3 332.404 1.094 20 0 EDADHO COC[C@]1(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127339 451298345 /nfs/dbraw/zinc/29/83/45/451298345.db2.gz CNXIKYBOQZYNKY-HQRMLTQVSA-N 1 3 345.487 1.924 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596288 451336192 /nfs/dbraw/zinc/33/61/92/451336192.db2.gz LPPUDXHZJOCBQH-IRXDYDNUSA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596288 451336194 /nfs/dbraw/zinc/33/61/94/451336194.db2.gz LPPUDXHZJOCBQH-IRXDYDNUSA-N 1 3 346.479 1.898 20 0 EDADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638135370 451308724 /nfs/dbraw/zinc/30/87/24/451308724.db2.gz TXUQSNHHYZPZRP-OKZBNKHCSA-N 1 3 331.460 1.473 20 0 EDADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638135370 451308727 /nfs/dbraw/zinc/30/87/27/451308727.db2.gz TXUQSNHHYZPZRP-OKZBNKHCSA-N 1 3 331.460 1.473 20 0 EDADHO CN1CCN(CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137387 451310843 /nfs/dbraw/zinc/31/08/43/451310843.db2.gz JSKUKARMWCNEEZ-MOPGFXCFSA-N 1 3 342.487 1.529 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000640451223 451325066 /nfs/dbraw/zinc/32/50/66/451325066.db2.gz LREGJKSKKAFNIG-GJZGRUSLSA-N 1 3 338.496 1.399 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928378 451372350 /nfs/dbraw/zinc/37/23/50/451372350.db2.gz FMYOPRZFZZAXOB-HQRMLTQVSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928378 451372355 /nfs/dbraw/zinc/37/23/55/451372355.db2.gz FMYOPRZFZZAXOB-HQRMLTQVSA-N 1 3 345.487 1.591 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000638277857 451396431 /nfs/dbraw/zinc/39/64/31/451396431.db2.gz WKLXWDWKDJLHHX-ROUUACIJSA-N 1 3 332.492 1.388 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749185 451396787 /nfs/dbraw/zinc/39/67/87/451396787.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749185 451396792 /nfs/dbraw/zinc/39/67/92/451396792.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 1 3 345.487 1.472 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000638400625 451489472 /nfs/dbraw/zinc/48/94/72/451489472.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000638400625 451489474 /nfs/dbraw/zinc/48/94/74/451489474.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 1 3 344.503 1.579 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]34CCC[C@H]3OCC4)CC2)CC1 ZINC000630863336 451445624 /nfs/dbraw/zinc/44/56/24/451445624.db2.gz SVWUIRBIOIYLLD-MJGOQNOKSA-N 1 3 335.492 1.620 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](CC)N(C)C)cc1 ZINC000638411932 451498212 /nfs/dbraw/zinc/49/82/12/451498212.db2.gz GMESORVTEOMGEJ-BZSNNMDCSA-N 1 3 333.476 1.987 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638490293 451541813 /nfs/dbraw/zinc/54/18/13/451541813.db2.gz UQWRURJQAXPKBA-MSOLQXFVSA-N 1 3 330.476 1.750 20 0 EDADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000638490293 451541821 /nfs/dbraw/zinc/54/18/21/451541821.db2.gz UQWRURJQAXPKBA-MSOLQXFVSA-N 1 3 330.476 1.750 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000638524781 451557071 /nfs/dbraw/zinc/55/70/71/451557071.db2.gz RSOJSJAFZAJMLW-UHFFFAOYSA-N 1 3 340.427 1.689 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCCN(C)C)cc1 ZINC000638526123 451558496 /nfs/dbraw/zinc/55/84/96/451558496.db2.gz FFFACYIRBKEIGQ-CVEARBPZSA-N 1 3 332.448 1.305 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2CNC3)CC[C@@H]1C(F)(F)F ZINC000638561113 451577888 /nfs/dbraw/zinc/57/78/88/451577888.db2.gz GDIJAJKWNZNEKW-RISCZKNCSA-N 1 3 327.350 1.889 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccnc(N2CCSCC2)c1 ZINC000635010866 451648059 /nfs/dbraw/zinc/64/80/59/451648059.db2.gz WKZXXSWCVGVGAP-CWRNSKLLSA-N 1 3 336.505 1.477 20 0 EDADHO CN1CCC(n2cc(NC(=O)C34CCC[NH+](CCC3)C4)cn2)CC1 ZINC000636314292 451674959 /nfs/dbraw/zinc/67/49/59/451674959.db2.gz LWJPZRLZWUIRKR-UHFFFAOYSA-N 1 3 331.464 1.964 20 0 EDADHO O=C(CN1CC[NH2+]CC1)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638851664 451710315 /nfs/dbraw/zinc/71/03/15/451710315.db2.gz ORUJWDHLUAXXQQ-IBGZPJMESA-N 1 3 344.503 1.453 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)NCCN3CCCCC3)cn2)CC1 ZINC000636502094 451739272 /nfs/dbraw/zinc/73/92/72/451739272.db2.gz ZKBMLIUELZEOTN-UHFFFAOYSA-N 1 3 334.468 1.757 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000641042149 451739844 /nfs/dbraw/zinc/73/98/44/451739844.db2.gz GUMCHOGFGJULOL-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000639043610 451756587 /nfs/dbraw/zinc/75/65/87/451756587.db2.gz VBZAADLJKYQOKR-QAQDUYKDSA-N 1 3 330.476 1.828 20 0 EDADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@]12CCCO2 ZINC000639058834 451759589 /nfs/dbraw/zinc/75/95/89/451759589.db2.gz GKNCDPLIDYHMJT-JFIYKMOQSA-N 1 3 326.481 1.538 20 0 EDADHO CCCN1CC[C@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637283423 451779927 /nfs/dbraw/zinc/77/99/27/451779927.db2.gz QUXAAYTUIXICGP-AWEZNQCLSA-N 1 3 334.468 1.756 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NC[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000639235441 451796620 /nfs/dbraw/zinc/79/66/20/451796620.db2.gz IXYLDYYHWNCYBU-KRWDZBQOSA-N 1 3 343.475 1.762 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642015730 451805760 /nfs/dbraw/zinc/80/57/60/451805760.db2.gz XIDBVYZMZQTLIZ-KRWDZBQOSA-N 1 3 338.496 1.272 20 0 EDADHO Cc1cc(NC(=O)CCNCc2cccc(OCC[NH+](C)C)c2)no1 ZINC000644543777 451851877 /nfs/dbraw/zinc/85/18/77/451851877.db2.gz VZBMWJNXEIZKRZ-UHFFFAOYSA-N 1 3 346.431 2.042 20 0 EDADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CCc2cnccn2)CC1 ZINC000639500280 451905794 /nfs/dbraw/zinc/90/57/94/451905794.db2.gz MQVAWKAEYURSKA-UHFFFAOYSA-N 1 3 347.507 1.435 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000637518641 451921283 /nfs/dbraw/zinc/92/12/83/451921283.db2.gz JSNHLCNDXGUGIH-XKQJLSEDSA-N 1 3 334.464 1.567 20 0 EDADHO C[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916772 451934143 /nfs/dbraw/zinc/93/41/43/451934143.db2.gz QGBIVKCCYYYPEC-PKOBYXMFSA-N 1 3 342.487 1.361 20 0 EDADHO C[N@H+]1C[C@@H]2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916772 451934152 /nfs/dbraw/zinc/93/41/52/451934152.db2.gz QGBIVKCCYYYPEC-PKOBYXMFSA-N 1 3 342.487 1.361 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000644734462 451961700 /nfs/dbraw/zinc/96/17/00/451961700.db2.gz PYVYYJIFONXPAH-OKZBNKHCSA-N 1 3 330.476 1.041 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@@H+](C)C[C@H]21)c1ccccc1 ZINC000644734462 451961705 /nfs/dbraw/zinc/96/17/05/451961705.db2.gz PYVYYJIFONXPAH-OKZBNKHCSA-N 1 3 330.476 1.041 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)COC2(C)CNC2)cc1Cl ZINC000649305967 451983702 /nfs/dbraw/zinc/98/37/02/451983702.db2.gz QWNFFZKKPATDLZ-UHFFFAOYSA-N 1 3 341.839 1.597 20 0 EDADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC[C@@H]1[NH3+] ZINC000647009927 452003267 /nfs/dbraw/zinc/00/32/67/452003267.db2.gz KUIBGPLGDCELAH-SQNIBIBYSA-N 1 3 330.476 1.879 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)cn2)CC1 ZINC000637669566 452010419 /nfs/dbraw/zinc/01/04/19/452010419.db2.gz NUUQDURVMIAUMP-QGZVFWFLSA-N 1 3 344.463 1.628 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)COC2(C)CNC2)CC[N@@H+]1Cc1ccccc1 ZINC000649330076 452011759 /nfs/dbraw/zinc/01/17/59/452011759.db2.gz UXWGQPLXQAMQMG-WMZOPIPTSA-N 1 3 345.487 1.876 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)COC2(C)CNC2)CC[N@H+]1Cc1ccccc1 ZINC000649330076 452011765 /nfs/dbraw/zinc/01/17/65/452011765.db2.gz UXWGQPLXQAMQMG-WMZOPIPTSA-N 1 3 345.487 1.876 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000647083856 452050930 /nfs/dbraw/zinc/05/09/30/452050930.db2.gz YYBPBJJKTCXAEW-UONOGXRCSA-N 1 3 344.381 1.690 20 0 EDADHO Cn1cc(N2CC[C@H](N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417944 452079411 /nfs/dbraw/zinc/07/94/11/452079411.db2.gz PUHOCXZZQPJQMD-INMHGKMJSA-N 1 3 331.464 1.237 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799978 452088934 /nfs/dbraw/zinc/08/89/34/452088934.db2.gz UNXQBDXXXFCBKU-IEBWSBKVSA-N 1 3 333.476 1.941 20 0 EDADHO CN(C)CCn1c2cc(C(=O)N3CCC(C[NH3+])CC3)ccc2[nH]c1=O ZINC000637804139 452090174 /nfs/dbraw/zinc/09/01/74/452090174.db2.gz MYQPXQSCLVKVPZ-UHFFFAOYSA-N 1 3 345.447 1.114 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)CN(C)Cc2ccccc2)cc1 ZINC000637861033 452119551 /nfs/dbraw/zinc/11/95/51/452119551.db2.gz QXQVTQCAUPTJFP-DNVCBOLYSA-N 1 3 340.471 1.782 20 0 EDADHO Cc1ccc(-c2nn(C)cc2CN2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000647488940 452233092 /nfs/dbraw/zinc/23/30/92/452233092.db2.gz CGDAFYBEKNQZLV-CQSZACIVSA-N 1 3 345.447 1.275 20 0 EDADHO O=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCNCC1 ZINC000643500402 452270577 /nfs/dbraw/zinc/27/05/77/452270577.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 1 3 342.487 1.203 20 0 EDADHO O=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCNCC1 ZINC000643500402 452270584 /nfs/dbraw/zinc/27/05/84/452270584.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 1 3 342.487 1.203 20 0 EDADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@@H]1N ZINC000641803523 452280998 /nfs/dbraw/zinc/28/09/98/452280998.db2.gz GJDKODRRQMXLTB-JKSUJKDBSA-N 1 3 344.459 1.857 20 0 EDADHO CC(C)(CNC(=O)N1CC2CC1(C[NH3+])C2)N1CCc2ccccc2C1 ZINC000659437602 452283778 /nfs/dbraw/zinc/28/37/78/452283778.db2.gz DZBRAIWIKMXEDE-UHFFFAOYSA-N 1 3 342.487 1.956 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000659438908 452286842 /nfs/dbraw/zinc/28/68/42/452286842.db2.gz DMNKQPDQTGDVEJ-QGZVFWFLSA-N 1 3 347.507 1.496 20 0 EDADHO COC[C@]1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812422 452292627 /nfs/dbraw/zinc/29/26/27/452292627.db2.gz HFBVOHPZMALKCJ-QGZVFWFLSA-N 1 3 326.485 1.271 20 0 EDADHO CN(CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000659454693 452306087 /nfs/dbraw/zinc/30/60/87/452306087.db2.gz MRVLZRYNDWYQCJ-IAGOWNOFSA-N 1 3 334.439 1.665 20 0 EDADHO N[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659477523 452337731 /nfs/dbraw/zinc/33/77/31/452337731.db2.gz JVNMZFFMICWJNA-HZPDHXFCSA-N 1 3 335.427 1.379 20 0 EDADHO [NH3+]C[C@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCCOC1 ZINC000638067625 452369748 /nfs/dbraw/zinc/36/97/48/452369748.db2.gz SGDXTMIIDQEEKX-LJQANCHMSA-N 1 3 347.459 1.337 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630133 452369859 /nfs/dbraw/zinc/36/98/59/452369859.db2.gz NAMQATVRHZKNOY-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCCCN1 ZINC000638066199 452370690 /nfs/dbraw/zinc/37/06/90/452370690.db2.gz FOWUONGOZYCMGQ-WMZOPIPTSA-N 1 3 325.497 1.773 20 0 EDADHO COC[C@]1(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CCCCN1 ZINC000638066199 452370698 /nfs/dbraw/zinc/37/06/98/452370698.db2.gz FOWUONGOZYCMGQ-WMZOPIPTSA-N 1 3 325.497 1.773 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659518763 452383005 /nfs/dbraw/zinc/38/30/05/452383005.db2.gz ZWASAYDYVFNJRC-SJORKVTESA-N 1 3 338.496 1.447 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567444 452423992 /nfs/dbraw/zinc/42/39/92/452423992.db2.gz UXNIULMIEWLRKQ-CRAIPNDOSA-N 1 3 345.491 1.672 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652236647 452424254 /nfs/dbraw/zinc/42/42/54/452424254.db2.gz UWBQPYJPNNUVOF-UHFFFAOYSA-N 1 3 348.491 1.897 20 0 EDADHO C[C@H]1NCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@@H]1C ZINC000659582168 452438357 /nfs/dbraw/zinc/43/83/57/452438357.db2.gz QFIFDXFTHFBKDB-BQGCOEIASA-N 1 3 334.439 1.663 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659610944 452467927 /nfs/dbraw/zinc/46/79/27/452467927.db2.gz LXNHZHGNWSHPPG-FDYSRKEFSA-N 1 3 342.487 1.697 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618061 452475138 /nfs/dbraw/zinc/47/51/38/452475138.db2.gz ZBWZBIBSPIBOGT-HFCFLWKCSA-N 1 3 328.460 1.654 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654437015 452495530 /nfs/dbraw/zinc/49/55/30/452495530.db2.gz AXCUVIYOCSEFOC-ZACQAIPSSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654437015 452495540 /nfs/dbraw/zinc/49/55/40/452495540.db2.gz AXCUVIYOCSEFOC-ZACQAIPSSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347331 452523006 /nfs/dbraw/zinc/52/30/06/452523006.db2.gz YWNMAXJFOBYNOO-QUSNUVHPSA-N 1 3 325.497 1.898 20 0 EDADHO COCCCN1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655707747 452525972 /nfs/dbraw/zinc/52/59/72/452525972.db2.gz CAORRWJLTNOYNW-GOSISDBHSA-N 1 3 325.497 1.330 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661785304 452577407 /nfs/dbraw/zinc/57/74/07/452577407.db2.gz NBSJAFOKDSDNLN-SJLPKXTDSA-N 1 3 347.507 1.321 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCO)CCc1ccccc1 ZINC000647885832 452625598 /nfs/dbraw/zinc/62/55/98/452625598.db2.gz VQCPLGGUKIQBMB-PMACEKPBSA-N 1 3 328.456 1.454 20 0 EDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCO)CCc1ccccc1 ZINC000647885832 452625602 /nfs/dbraw/zinc/62/56/02/452625602.db2.gz VQCPLGGUKIQBMB-PMACEKPBSA-N 1 3 328.456 1.454 20 0 EDADHO CO[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000666190221 452671082 /nfs/dbraw/zinc/67/10/82/452671082.db2.gz HNYLBURYPJWXLL-SJORKVTESA-N 1 3 325.497 1.330 20 0 EDADHO CC[NH+](CC)CCOC1CCN(CCNC(=O)NC(C)C)CC1 ZINC000645810877 452810465 /nfs/dbraw/zinc/81/04/65/452810465.db2.gz DENBZUWFNDAGBJ-UHFFFAOYSA-N 1 3 328.501 1.517 20 0 EDADHO COCCC1(C(=O)Nc2ccc3c(c2)CNCCO3)CC[NH2+]CC1 ZINC000648139383 452851783 /nfs/dbraw/zinc/85/17/83/452851783.db2.gz DYGABJKDXBZXFV-UHFFFAOYSA-N 1 3 333.432 1.513 20 0 EDADHO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664183602 452853904 /nfs/dbraw/zinc/85/39/04/452853904.db2.gz SPWKODQKRNKBEM-UONOGXRCSA-N 1 3 338.500 1.361 20 0 EDADHO Cc1nn(C)cc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664183602 452853913 /nfs/dbraw/zinc/85/39/13/452853913.db2.gz SPWKODQKRNKBEM-UONOGXRCSA-N 1 3 338.500 1.361 20 0 EDADHO C[C@H](CC(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000646003204 452998928 /nfs/dbraw/zinc/99/89/28/452998928.db2.gz WJSGUVJUOSJLQW-SQNIBIBYSA-N 1 3 336.524 1.251 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)C1 ZINC000646003207 452999057 /nfs/dbraw/zinc/99/90/57/452999057.db2.gz WKGZBEHFARKPDT-MJGOQNOKSA-N 1 3 342.487 1.112 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)C1 ZINC000646003207 452999065 /nfs/dbraw/zinc/99/90/65/452999065.db2.gz WKGZBEHFARKPDT-MJGOQNOKSA-N 1 3 342.487 1.112 20 0 EDADHO O=c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294271 453015774 /nfs/dbraw/zinc/01/57/74/453015774.db2.gz JZGISBRKYCUYLO-CQSZACIVSA-N 1 3 332.473 1.968 20 0 EDADHO CCN1CCC(NC(=O)CN2C[C@H]([NH3+])CCc3ccccc32)CC1 ZINC000662301385 453022950 /nfs/dbraw/zinc/02/29/50/453022950.db2.gz FGYWLYHPFKXYNH-MRXNPFEDSA-N 1 3 330.476 1.367 20 0 EDADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666650270 453037738 /nfs/dbraw/zinc/03/77/38/453037738.db2.gz BMKXMHOTFLPVEP-FUHWJXTLSA-N 1 3 344.503 1.914 20 0 EDADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000666650270 453037745 /nfs/dbraw/zinc/03/77/45/453037745.db2.gz BMKXMHOTFLPVEP-FUHWJXTLSA-N 1 3 344.503 1.914 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478127 453128630 /nfs/dbraw/zinc/12/86/30/453128630.db2.gz ILRHFJGHIUPNCY-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000664478127 453128635 /nfs/dbraw/zinc/12/86/35/453128635.db2.gz ILRHFJGHIUPNCY-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000664532013 453169601 /nfs/dbraw/zinc/16/96/01/453169601.db2.gz NKPYSWVOOPAQRL-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H]1CCCO1 ZINC000664532013 453169608 /nfs/dbraw/zinc/16/96/08/453169608.db2.gz NKPYSWVOOPAQRL-HRCADAONSA-N 1 3 328.501 1.515 20 0 EDADHO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(OCCN(C)C)c2)CCO1 ZINC000666831399 453175521 /nfs/dbraw/zinc/17/55/21/453175521.db2.gz CIQQQUKVIBPONC-XJKSGUPXSA-N 1 3 336.436 1.207 20 0 EDADHO CN(CC[NH+]1CCCCC1)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000652989729 453179621 /nfs/dbraw/zinc/17/96/21/453179621.db2.gz RSGGYYDNRDEVQN-UHFFFAOYSA-N 1 3 337.508 1.966 20 0 EDADHO COC1CCN(CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000646180995 453193132 /nfs/dbraw/zinc/19/31/32/453193132.db2.gz OPIAQYSMUKIKHY-QGZVFWFLSA-N 1 3 333.476 1.940 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC[N@@H+]1C ZINC000648758426 453239513 /nfs/dbraw/zinc/23/95/13/453239513.db2.gz UIBUVIGECGXNPC-VQIMIIECSA-N 1 3 344.503 1.887 20 0 EDADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(CCc3ccccn3)CC2)CC[N@H+]1C ZINC000648758426 453239520 /nfs/dbraw/zinc/23/95/20/453239520.db2.gz UIBUVIGECGXNPC-VQIMIIECSA-N 1 3 344.503 1.887 20 0 EDADHO CCCN1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924583 453251573 /nfs/dbraw/zinc/25/15/73/453251573.db2.gz IKIDYVVJDSLLDO-OAHLLOKOSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000648813057 453295254 /nfs/dbraw/zinc/29/52/54/453295254.db2.gz OQSUMLLYSWYTTH-RDTXWAMCSA-N 1 3 331.460 1.922 20 0 EDADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[N@H+]1C ZINC000648813057 453295260 /nfs/dbraw/zinc/29/52/60/453295260.db2.gz OQSUMLLYSWYTTH-RDTXWAMCSA-N 1 3 331.460 1.922 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000651196509 453352646 /nfs/dbraw/zinc/35/26/46/453352646.db2.gz DMKIXIDHLWYEPS-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000651196509 453352651 /nfs/dbraw/zinc/35/26/51/453352651.db2.gz DMKIXIDHLWYEPS-UHFFFAOYSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@@H+]1C ZINC000648880167 453355614 /nfs/dbraw/zinc/35/56/14/453355614.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 1 3 345.487 1.734 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC[N@H+]1C ZINC000648880167 453355621 /nfs/dbraw/zinc/35/56/21/453355621.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 1 3 345.487 1.734 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658403 453370578 /nfs/dbraw/zinc/37/05/78/453370578.db2.gz FEHMEAJXMCMBHJ-HBFSDRIKSA-N 1 3 327.472 1.761 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000662658215 453371294 /nfs/dbraw/zinc/37/12/94/453371294.db2.gz CFSIYYHNHXKZJY-ROUUACIJSA-N 1 3 331.460 1.140 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CNCCO2)C1 ZINC000662658215 453371299 /nfs/dbraw/zinc/37/12/99/453371299.db2.gz CFSIYYHNHXKZJY-ROUUACIJSA-N 1 3 331.460 1.140 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662708404 453432340 /nfs/dbraw/zinc/43/23/40/453432340.db2.gz MVYBAAJSKNUOQJ-OAHLLOKOSA-N 1 3 348.447 1.125 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492250 /nfs/dbraw/zinc/49/22/50/453492250.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 1 3 348.443 1.573 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000660657893 453492259 /nfs/dbraw/zinc/49/22/59/453492259.db2.gz BUJBXZZXFIVVBF-BEFAXECRSA-N 1 3 348.443 1.573 20 0 EDADHO CCc1nc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)o1 ZINC000664951712 453512869 /nfs/dbraw/zinc/51/28/69/453512869.db2.gz CQQZAKOGAOGHJY-ZDUSSCGKSA-N 1 3 339.484 1.617 20 0 EDADHO CCc1nc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)o1 ZINC000664951712 453512871 /nfs/dbraw/zinc/51/28/71/453512871.db2.gz CQQZAKOGAOGHJY-ZDUSSCGKSA-N 1 3 339.484 1.617 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662786426 453521003 /nfs/dbraw/zinc/52/10/03/453521003.db2.gz WLZHSAUVWMXONN-MSOLQXFVSA-N 1 3 329.444 1.301 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 ZINC000659022647 453585327 /nfs/dbraw/zinc/58/53/27/453585327.db2.gz NZHHKCCUZSQZDK-KRWDZBQOSA-N 1 3 332.448 1.781 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662886974 453588754 /nfs/dbraw/zinc/58/87/54/453588754.db2.gz QNWWRCQONOENCR-HOTGVXAUSA-N 1 3 348.495 1.443 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659034351 453589910 /nfs/dbraw/zinc/58/99/10/453589910.db2.gz LYAWKQCTTGGVJH-QZTJIDSGSA-N 1 3 344.459 1.953 20 0 EDADHO O=C(Nc1ccc([C@H]2CNCCO2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034351 453589914 /nfs/dbraw/zinc/58/99/14/453589914.db2.gz LYAWKQCTTGGVJH-QZTJIDSGSA-N 1 3 344.459 1.953 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660841633 453600636 /nfs/dbraw/zinc/60/06/36/453600636.db2.gz QSHZABIJLZKMAJ-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660841633 453600644 /nfs/dbraw/zinc/60/06/44/453600644.db2.gz QSHZABIJLZKMAJ-NVXWUHKLSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC(CCNC(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000660842303 453601745 /nfs/dbraw/zinc/60/17/45/453601745.db2.gz NAOPHTAFPUODOU-QGZVFWFLSA-N 1 3 338.496 1.271 20 0 EDADHO COCCc1ccc(OC[C@H](O)CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000665232839 453617686 /nfs/dbraw/zinc/61/76/86/453617686.db2.gz VOUUSVHVBYVPJR-SUMDDJOVSA-N 1 3 336.476 1.593 20 0 EDADHO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000665255580 453626708 /nfs/dbraw/zinc/62/67/08/453626708.db2.gz XBIXRJANDRVRLU-XIVBQZFQSA-N 1 3 333.476 1.497 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@H]2COCCN2)cc1 ZINC000665255580 453626711 /nfs/dbraw/zinc/62/67/11/453626711.db2.gz XBIXRJANDRVRLU-XIVBQZFQSA-N 1 3 333.476 1.497 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661201184 453755923 /nfs/dbraw/zinc/75/59/23/453755923.db2.gz ZSSGPASBVARJAQ-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661201184 453755925 /nfs/dbraw/zinc/75/59/25/453755925.db2.gz ZSSGPASBVARJAQ-WBVHZDCISA-N 1 3 340.512 1.659 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc(OC)ccc2OC)CC1 ZINC000663503228 453811357 /nfs/dbraw/zinc/81/13/57/453811357.db2.gz LRYPCIBRFDUENN-UHFFFAOYSA-N 1 3 349.475 1.784 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN(CCO)CC(C)(C)C)c1ccccc1 ZINC000681209635 486974133 /nfs/dbraw/zinc/97/41/33/486974133.db2.gz YDCNSBHBTZPQBS-KRWDZBQOSA-N 1 3 335.492 1.746 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)s1 ZINC000667811370 486976295 /nfs/dbraw/zinc/97/62/95/486976295.db2.gz KSMXCAHDFZKPNH-CQSZACIVSA-N 1 3 339.509 1.264 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1nnc(C)s1 ZINC000667811370 486976300 /nfs/dbraw/zinc/97/63/00/486976300.db2.gz KSMXCAHDFZKPNH-CQSZACIVSA-N 1 3 339.509 1.264 20 0 EDADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219123 486977433 /nfs/dbraw/zinc/97/74/33/486977433.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 1 3 349.523 1.033 20 0 EDADHO CN(C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681219123 486977435 /nfs/dbraw/zinc/97/74/35/486977435.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 1 3 349.523 1.033 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](C)N(C)C)cc2)CC1 ZINC000674245637 487222743 /nfs/dbraw/zinc/22/27/43/487222743.db2.gz SPVRLLQSWQTCBL-INIZCTEOSA-N 1 3 332.492 1.390 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000669570918 485592557 /nfs/dbraw/zinc/59/25/57/485592557.db2.gz OYEKTCVWKOLQKJ-YYIAUSFCSA-N 1 3 338.496 1.256 20 0 EDADHO C[C@H]([NH3+])CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000669397206 486054555 /nfs/dbraw/zinc/05/45/55/486054555.db2.gz FDPPPRUQUNJITE-KRWDZBQOSA-N 1 3 347.507 1.231 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669462419 486215504 /nfs/dbraw/zinc/21/55/04/486215504.db2.gz UDPPTWCNKXZCJW-KRWDZBQOSA-N 1 3 348.491 1.611 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(OC)c1 ZINC000668899942 486321498 /nfs/dbraw/zinc/32/14/98/486321498.db2.gz QXQCUFZUMHRTAD-LXXRFIIISA-N 1 3 334.464 1.892 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CN1C1CC1 ZINC000127606714 491016724 /nfs/dbraw/zinc/01/67/24/491016724.db2.gz JBVFJURHNPATQT-CABCVRRESA-N 1 3 329.448 1.538 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461842 /nfs/dbraw/zinc/46/18/42/536461842.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 1 3 334.508 1.987 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461844 /nfs/dbraw/zinc/46/18/44/536461844.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)OCCCNC(=O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346814049 535325759 /nfs/dbraw/zinc/32/57/59/535325759.db2.gz BJRCWJXFVZDZTQ-MRXNPFEDSA-N 1 3 325.497 1.629 20 0 EDADHO CC[NH+](CC)CCOc1ccc(NC(=O)C2(N)CCOCC2)cc1 ZINC000261947382 535554543 /nfs/dbraw/zinc/55/45/43/535554543.db2.gz YNXADFIUYGHWCW-UHFFFAOYSA-N 1 3 335.448 1.854 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cccnc1 ZINC000263853664 535593455 /nfs/dbraw/zinc/59/34/55/535593455.db2.gz ZHJKKXYQICCLIV-BBVFFXRHSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1cccnc1 ZINC000263853664 535593459 /nfs/dbraw/zinc/59/34/59/535593459.db2.gz ZHJKKXYQICCLIV-BBVFFXRHSA-N 1 3 330.476 1.969 20 0 EDADHO CCN1CC[NH+](CCCCNC(=O)[C@H](N)c2ccc(C)cc2)CC1 ZINC000262662804 535692392 /nfs/dbraw/zinc/69/23/92/535692392.db2.gz OIFAAZPUTKAMTI-GOSISDBHSA-N 1 3 332.492 1.529 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261698759 535819779 /nfs/dbraw/zinc/81/97/79/535819779.db2.gz HXNHRPKIWLZLIR-ZBFHGGJFSA-N 1 3 325.497 1.757 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](N)C2CCOCC2)C1 ZINC000261698759 535819780 /nfs/dbraw/zinc/81/97/80/535819780.db2.gz HXNHRPKIWLZLIR-ZBFHGGJFSA-N 1 3 325.497 1.757 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261977785 535916212 /nfs/dbraw/zinc/91/62/12/535916212.db2.gz IWGCPMONRWUCGV-HXUWFJFHSA-N 1 3 346.519 1.749 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262118726 536019239 /nfs/dbraw/zinc/01/92/39/536019239.db2.gz VLKZZGBCHZVXEY-UAGQMJEPSA-N 1 3 337.489 1.496 20 0 EDADHO CN(C)Cc1cnc(CNCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057390 /nfs/dbraw/zinc/05/73/90/536057390.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 1 3 326.510 1.531 20 0 EDADHO CN(C)Cc1cnc(CNCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057394 /nfs/dbraw/zinc/05/73/94/536057394.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 1 3 326.510 1.531 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000347327346 536779018 /nfs/dbraw/zinc/77/90/18/536779018.db2.gz MUIXWZNRAMHMOI-IRXDYDNUSA-N 1 3 342.528 1.856 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000247657099 536859616 /nfs/dbraw/zinc/85/96/16/536859616.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000247657099 536859625 /nfs/dbraw/zinc/85/96/25/536859625.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000252442435 536860782 /nfs/dbraw/zinc/86/07/82/536860782.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000252442435 536860789 /nfs/dbraw/zinc/86/07/89/536860789.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 1 3 340.512 1.517 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CCO)C3CC3)CC2)CC1 ZINC000741406560 579415492 /nfs/dbraw/zinc/41/54/92/579415492.db2.gz JTRFLHQHGOHKGG-QGZVFWFLSA-N 1 3 338.496 1.005 20 0 EDADHO CC[C@H](C)[C@@H]1CCCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056726 578478042 /nfs/dbraw/zinc/47/80/42/578478042.db2.gz QAOSMSPWFRXGJI-GJZGRUSLSA-N 1 3 336.480 1.861 20 0 EDADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000733165262 578745530 /nfs/dbraw/zinc/74/55/30/578745530.db2.gz AKEVUKFOWXRXKB-ROUUACIJSA-N 1 3 332.492 1.996 20 0 EDADHO CC(C)C[C@H](O)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000747990189 579666141 /nfs/dbraw/zinc/66/61/41/579666141.db2.gz CZBVLIBLNLOYHK-KRWDZBQOSA-N 1 3 340.512 1.251 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220351 580458996 /nfs/dbraw/zinc/45/89/96/580458996.db2.gz DVHZFYFDMBNBDB-HOTGVXAUSA-N 1 3 340.464 1.655 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000758456562 579982886 /nfs/dbraw/zinc/98/28/86/579982886.db2.gz TUIREELXNSWGIR-DJIMGWMZSA-N 1 3 338.496 1.221 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766054 580244498 /nfs/dbraw/zinc/24/44/98/580244498.db2.gz IVQZNTOUBPJJLW-OAHLLOKOSA-N 1 3 343.585 1.064 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816431 580321213 /nfs/dbraw/zinc/32/12/13/580321213.db2.gz GOWQIBCEVVPPFI-PBHICJAKSA-N 1 3 336.549 1.904 20 0 EDADHO CN1CCC(NC(=S)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000772816431 580321214 /nfs/dbraw/zinc/32/12/14/580321214.db2.gz GOWQIBCEVVPPFI-PBHICJAKSA-N 1 3 336.549 1.904 20 0 EDADHO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(C)C3=O)CC[N@@H+]2C)cc1 ZINC000774100009 580353969 /nfs/dbraw/zinc/35/39/69/580353969.db2.gz ONFJUFLDRVWWJG-USXIJHARSA-N 1 3 346.427 1.710 20 0 EDADHO COc1ccc([C@@H]2[C@H](COC(=O)C3CCN(C)C3=O)CC[N@H+]2C)cc1 ZINC000774100009 580353970 /nfs/dbraw/zinc/35/39/70/580353970.db2.gz ONFJUFLDRVWWJG-USXIJHARSA-N 1 3 346.427 1.710 20 0 EDADHO COCCOC[C@@H](C)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000893067394 590645987 /nfs/dbraw/zinc/64/59/87/590645987.db2.gz DOLDTDXYXMQPNK-QGZVFWFLSA-N 1 3 327.513 1.578 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000891855345 590656122 /nfs/dbraw/zinc/65/61/22/590656122.db2.gz JYVRHMLBZYJWIM-KSZLIROESA-N 1 3 346.475 1.314 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000890896326 590837891 /nfs/dbraw/zinc/83/78/91/590837891.db2.gz ASFYWHOQSCJNIV-BZSNNMDCSA-N 1 3 349.523 1.548 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000892234981 590879602 /nfs/dbraw/zinc/87/96/02/590879602.db2.gz BNHRAMRDCXZWGV-AAVRWANBSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1ccncc1 ZINC000892274870 590906439 /nfs/dbraw/zinc/90/64/39/590906439.db2.gz QZHZRPVFFVKXFU-GOEBONIOSA-N 1 3 329.448 1.586 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292435 590918973 /nfs/dbraw/zinc/91/89/73/590918973.db2.gz RJGQNWXONDOYGO-KRWDZBQOSA-N 1 3 334.464 1.234 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000892294478 590920043 /nfs/dbraw/zinc/92/00/43/590920043.db2.gz ZAUAVMUYSGTCRL-GDBMZVCRSA-N 1 3 326.485 1.127 20 0 EDADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891350817 591055742 /nfs/dbraw/zinc/05/57/42/591055742.db2.gz VOYDGEOOJKPGIN-KSZLIROESA-N 1 3 328.460 1.969 20 0 EDADHO [NH3+][C@H]1C[C@@H](CNC(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000891460588 591079769 /nfs/dbraw/zinc/07/97/69/591079769.db2.gz QUNNFIHEDFBFFW-GASCZTMLSA-N 1 3 336.505 1.997 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476496 591085091 /nfs/dbraw/zinc/08/50/91/591085091.db2.gz RIFLYUQFLBYQTD-JENIJYKNSA-N 1 3 330.476 1.882 20 0 EDADHO CN(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476496 591085095 /nfs/dbraw/zinc/08/50/95/591085095.db2.gz RIFLYUQFLBYQTD-JENIJYKNSA-N 1 3 330.476 1.882 20 0 EDADHO CCN(C(=O)NCC(C)(C)N1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000891529223 591108205 /nfs/dbraw/zinc/10/82/05/591108205.db2.gz QCULTVKKZKGLBX-CQSZACIVSA-N 1 3 326.485 1.269 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538101 591113233 /nfs/dbraw/zinc/11/32/33/591113233.db2.gz JVTDYUVUGBAJNE-HNNXBMFYSA-N 1 3 326.485 1.319 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891578862 591133694 /nfs/dbraw/zinc/13/36/94/591133694.db2.gz BIZWIILACGGFTG-MRXNPFEDSA-N 1 3 340.512 1.709 20 0 EDADHO CN(C(=O)NCCCCN1CCN(C)CC1)C1(C[NH3+])CCCCC1 ZINC000891580603 591135774 /nfs/dbraw/zinc/13/57/74/591135774.db2.gz YOWSCTGJZBBALK-UHFFFAOYSA-N 1 3 339.528 1.317 20 0 EDADHO CN1C[C@@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988865 591161233 /nfs/dbraw/zinc/16/12/33/591161233.db2.gz CZRSTLQILUHNHG-FUHWJXTLSA-N 1 3 343.475 1.644 20 0 EDADHO COC(=O)[C@@H]1[C@@H](CNCc2cccc(OCC[NH+](C)C)c2)C1(F)F ZINC000894189857 591220369 /nfs/dbraw/zinc/22/03/69/591220369.db2.gz FSQXBNHAYPMEBF-CABCVRRESA-N 1 3 342.386 1.771 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000895850342 591287441 /nfs/dbraw/zinc/28/74/41/591287441.db2.gz HNEPVRJSDOIOGD-INIZCTEOSA-N 1 3 340.512 1.469 20 0 EDADHO Cc1nc(CNCC2(N3CCOCC3)CC[NH+](C)CC2)sc1C ZINC000894893623 591461382 /nfs/dbraw/zinc/46/13/82/591461382.db2.gz GCGJOLORACWZGE-UHFFFAOYSA-N 1 3 338.521 1.646 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894905217 591467586 /nfs/dbraw/zinc/46/75/86/591467586.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 1 3 340.512 1.347 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000894905217 591467589 /nfs/dbraw/zinc/46/75/89/591467589.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 1 3 340.512 1.347 20 0 EDADHO OC1(C2(C[NH2+]C3CCN(c4ccncc4)CC3)CC2)CCOCC1 ZINC000896628109 591557649 /nfs/dbraw/zinc/55/76/49/591557649.db2.gz MKWHHERBULZNAK-UHFFFAOYSA-N 1 3 331.460 1.962 20 0 EDADHO Cc1nc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc2c(=O)[nH]1 ZINC000896682101 591572830 /nfs/dbraw/zinc/57/28/30/591572830.db2.gz QSMUPZRHIGMLNH-UHFFFAOYSA-N 1 3 345.447 1.209 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000900198208 591938381 /nfs/dbraw/zinc/93/83/81/591938381.db2.gz ULFLXQVSMRRZRC-SJLPKXTDSA-N 1 3 325.497 1.460 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948353 /nfs/dbraw/zinc/94/83/53/591948353.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 1 3 338.540 1.782 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948355 /nfs/dbraw/zinc/94/83/55/591948355.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 1 3 338.540 1.782 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996638 /nfs/dbraw/zinc/99/66/38/591996638.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 1 3 338.540 1.639 20 0 EDADHO CC(C)N1CCN(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996640 /nfs/dbraw/zinc/99/66/40/591996640.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 1 3 338.540 1.639 20 0 EDADHO CN1CCC(N2CCC([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782914 592062277 /nfs/dbraw/zinc/06/22/77/592062277.db2.gz SHPOXMZZEJLTOH-WKWVNEEDSA-N 1 3 333.520 1.948 20 0 EDADHO CCO[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000903018080 592097220 /nfs/dbraw/zinc/09/72/20/592097220.db2.gz WZJVZAXBQFSBNN-QZTJIDSGSA-N 1 3 339.524 1.720 20 0 EDADHO CC(C)OCCCNC(=O)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431601 592168454 /nfs/dbraw/zinc/16/84/54/592168454.db2.gz RBYIDWMBQANGTF-WBVHZDCISA-N 1 3 325.497 1.485 20 0 EDADHO COC(=O)c1coc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903506790 592180694 /nfs/dbraw/zinc/18/06/94/592180694.db2.gz ZMCWEDGNIGAGPZ-YUELXQCFSA-N 1 3 348.447 1.423 20 0 EDADHO COC(=O)c1coc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903506790 592180696 /nfs/dbraw/zinc/18/06/96/592180696.db2.gz ZMCWEDGNIGAGPZ-YUELXQCFSA-N 1 3 348.447 1.423 20 0 EDADHO C[C@@H]1CN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@H]1CC[NH3+] ZINC000903496061 592187713 /nfs/dbraw/zinc/18/77/13/592187713.db2.gz DHKJQIHBCWXQER-HUUCEWRRSA-N 1 3 344.459 1.669 20 0 EDADHO C[C@@]1(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)COC(=O)N1 ZINC000903564040 592211803 /nfs/dbraw/zinc/21/18/03/592211803.db2.gz OESNUVNRILXFDT-LNLFQRSKSA-N 1 3 347.459 1.128 20 0 EDADHO C[C@@H]1CN(S(=O)(=O)c2ccc(CN(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903558606 592219024 /nfs/dbraw/zinc/21/90/24/592219024.db2.gz OLLHFYBEWLPIQI-UKRRQHHQSA-N 1 3 325.478 1.354 20 0 EDADHO CC1(C)C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1N ZINC000903558996 592219660 /nfs/dbraw/zinc/21/96/60/592219660.db2.gz XSYVBYCHAWNSEY-KRWDZBQOSA-N 1 3 348.466 1.534 20 0 EDADHO CC1(C)C[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1N ZINC000903558996 592219661 /nfs/dbraw/zinc/21/96/61/592219661.db2.gz XSYVBYCHAWNSEY-KRWDZBQOSA-N 1 3 348.466 1.534 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906649988 592235003 /nfs/dbraw/zinc/23/50/03/592235003.db2.gz IFCMWDNVGSTPKX-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906649988 592235006 /nfs/dbraw/zinc/23/50/06/592235006.db2.gz IFCMWDNVGSTPKX-CQSZACIVSA-N 1 3 332.448 1.320 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000901153497 592264310 /nfs/dbraw/zinc/26/43/10/592264310.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000901153497 592264313 /nfs/dbraw/zinc/26/43/13/592264313.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 1 3 325.497 1.317 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000901156849 592265089 /nfs/dbraw/zinc/26/50/89/592265089.db2.gz IEFJOSSTMVKVHD-DOTOQJQBSA-N 1 3 345.491 1.534 20 0 EDADHO CN(C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000901156849 592265091 /nfs/dbraw/zinc/26/50/91/592265091.db2.gz IEFJOSSTMVKVHD-DOTOQJQBSA-N 1 3 345.491 1.534 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3CN)C2)CC1 ZINC000906658838 592268822 /nfs/dbraw/zinc/26/88/22/592268822.db2.gz RZDZRXGIXDOAQQ-MRXNPFEDSA-N 1 3 344.459 1.274 20 0 EDADHO CCCNC(=O)C1(NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCCC1 ZINC000903733095 592281838 /nfs/dbraw/zinc/28/18/38/592281838.db2.gz JPUGOJGBHFGZAW-MRXNPFEDSA-N 1 3 337.508 1.964 20 0 EDADHO CC1CCN(C(=O)C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722244 592283460 /nfs/dbraw/zinc/28/34/60/592283460.db2.gz JKBNRDGFBXOJSR-ICSRJNTNSA-N 1 3 349.519 1.726 20 0 EDADHO O=C(NCC(F)(F)F)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723604 592284242 /nfs/dbraw/zinc/28/42/42/592284242.db2.gz WWGFWXKOSKCNHE-DZGCQCFKSA-N 1 3 349.397 1.146 20 0 EDADHO O=C(NC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726539 592285155 /nfs/dbraw/zinc/28/51/55/592285155.db2.gz MQOQKVRWARSWIS-WMZOPIPTSA-N 1 3 349.500 1.711 20 0 EDADHO O=C(NC1CCCCC1)C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727673 592286298 /nfs/dbraw/zinc/28/62/98/592286298.db2.gz WWLUSLSMOOTQAC-QUCCMNQESA-N 1 3 349.519 1.916 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753144 592296686 /nfs/dbraw/zinc/29/66/86/592296686.db2.gz RSQPCIWPPWAZKJ-BBWFWOEESA-N 1 3 325.497 1.186 20 0 EDADHO C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCN(CC2CCOCC2)CC1 ZINC000903740389 592303657 /nfs/dbraw/zinc/30/36/57/592303657.db2.gz VINUOACZLDABOL-SFHVURJKSA-N 1 3 337.508 1.189 20 0 EDADHO CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903763227 592307620 /nfs/dbraw/zinc/30/76/20/592307620.db2.gz IWMPJGGTMCJOKV-IUODEOHRSA-N 1 3 349.397 1.146 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095488 592313121 /nfs/dbraw/zinc/31/31/21/592313121.db2.gz WTHGKBCOINLIND-IEBWSBKVSA-N 1 3 349.475 1.261 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000908095488 592313125 /nfs/dbraw/zinc/31/31/25/592313125.db2.gz WTHGKBCOINLIND-IEBWSBKVSA-N 1 3 349.475 1.261 20 0 EDADHO COc1ccccc1N1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829591 592335002 /nfs/dbraw/zinc/33/50/02/592335002.db2.gz IBNWTSADIOXECZ-XLIONFOSSA-N 1 3 345.487 1.976 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879582 592360248 /nfs/dbraw/zinc/36/02/48/592360248.db2.gz DWNBVVQOXYPXEL-MVCQKVDPSA-N 1 3 348.535 1.536 20 0 EDADHO CCOc1ccccc1CCNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923385 592378542 /nfs/dbraw/zinc/37/85/42/592378542.db2.gz SMJISPQQMRQRRM-INIZCTEOSA-N 1 3 329.448 1.934 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN2CCN(c3ccncc3)[C@@H](C)C2)cnn1C ZINC000903937994 592387821 /nfs/dbraw/zinc/38/78/21/592387821.db2.gz XEFVALILSMJUSB-DOTOQJQBSA-N 1 3 342.491 1.452 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC[C@@H](O)CC2(O)CCCC2)cc1 ZINC000905086244 592391489 /nfs/dbraw/zinc/39/14/89/592391489.db2.gz CEIBFKZGHLHZOS-KRWDZBQOSA-N 1 3 336.476 1.773 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978207 592399180 /nfs/dbraw/zinc/39/91/80/592399180.db2.gz AAWMYOCQNZBFKP-AAEUAGOBSA-N 1 3 337.361 1.550 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978207 592399183 /nfs/dbraw/zinc/39/91/83/592399183.db2.gz AAWMYOCQNZBFKP-AAEUAGOBSA-N 1 3 337.361 1.550 20 0 EDADHO C[NH+](C)CCCOc1ccc(CNC[C@H](O)C2(O)CCCC2)cc1 ZINC000905096413 592421122 /nfs/dbraw/zinc/42/11/22/592421122.db2.gz IXPQLPGPQZLABG-SFHVURJKSA-N 1 3 336.476 1.773 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229304 592458667 /nfs/dbraw/zinc/45/86/67/592458667.db2.gz AMFGSLYVRYADGC-IAGOWNOFSA-N 1 3 328.497 1.523 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229304 592458672 /nfs/dbraw/zinc/45/86/72/592458672.db2.gz AMFGSLYVRYADGC-IAGOWNOFSA-N 1 3 328.497 1.523 20 0 EDADHO CN1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC12CCCCC2 ZINC000908571969 592544276 /nfs/dbraw/zinc/54/42/76/592544276.db2.gz PGYJDYBNPILHQB-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000905586700 592582841 /nfs/dbraw/zinc/58/28/41/592582841.db2.gz OAEXSZFWBIEQOK-YHUYYLMFSA-N 1 3 339.480 1.146 20 0 EDADHO O=c1[nH]c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)nc2ccccc21 ZINC000905699725 592613725 /nfs/dbraw/zinc/61/37/25/592613725.db2.gz CDPZWINCHZFZFX-GASCZTMLSA-N 1 3 339.443 1.740 20 0 EDADHO O=c1[nH]c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)nc2ccccc21 ZINC000905699725 592613726 /nfs/dbraw/zinc/61/37/26/592613726.db2.gz CDPZWINCHZFZFX-GASCZTMLSA-N 1 3 339.443 1.740 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905907696 592676779 /nfs/dbraw/zinc/67/67/79/592676779.db2.gz MTBCFOYREXHQSX-OALUTQOASA-N 1 3 335.492 1.088 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)C12CC[NH+](CC1)C2 ZINC000907739958 592766836 /nfs/dbraw/zinc/76/68/36/592766836.db2.gz XNOYJMCGFRDBSD-SFHVURJKSA-N 1 3 343.471 1.490 20 0 EDADHO CN(C)[C@H]1CCOc2c(NC(=O)C3CN(C)CC[N@H+](C)C3)cccc21 ZINC000907843199 592823832 /nfs/dbraw/zinc/82/38/32/592823832.db2.gz DGBFHRQJVPIMDJ-KRWDZBQOSA-N 1 3 346.475 1.504 20 0 EDADHO CN(C)[C@H]1CCOc2c(NC(=O)C3CN(C)CC[N@@H+](C)C3)cccc21 ZINC000907843199 592823835 /nfs/dbraw/zinc/82/38/35/592823835.db2.gz DGBFHRQJVPIMDJ-KRWDZBQOSA-N 1 3 346.475 1.504 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2CN)([NH+](C)C)C1 ZINC000906645909 592865900 /nfs/dbraw/zinc/86/59/00/592865900.db2.gz NBBXZAZANVLKBC-AUUYWEPGSA-N 1 3 346.475 1.711 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000910869565 592898491 /nfs/dbraw/zinc/89/84/91/592898491.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 1 3 337.508 1.555 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000910869565 592898492 /nfs/dbraw/zinc/89/84/92/592898492.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 1 3 337.508 1.555 20 0 EDADHO CC[NH2+]CCNC(=O)C[C@@H](N)Cc1ccc(Br)cc1 ZINC000911751310 592997527 /nfs/dbraw/zinc/99/75/27/592997527.db2.gz WDNILXMPMOEMSU-ZDUSSCGKSA-N 1 3 328.254 1.435 20 0 EDADHO CN(CC(C)(C)C[NH3+])C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911868653 593024560 /nfs/dbraw/zinc/02/45/60/593024560.db2.gz RKTMNQULKWBFAQ-LLVKDONJSA-N 1 3 331.382 1.807 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000817897148 593646658 /nfs/dbraw/zinc/64/66/58/593646658.db2.gz GHQTXVKFOJNPOD-GUDVDZBRSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H](NCCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817944415 593650913 /nfs/dbraw/zinc/65/09/13/593650913.db2.gz BJTIOSQFDJTDBJ-JTQLQIEISA-N 1 3 331.233 1.539 20 0 EDADHO C[NH+](C)CCOCCNC[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819211271 593744411 /nfs/dbraw/zinc/74/44/11/593744411.db2.gz YCJCAFIZTSNNPC-CQSZACIVSA-N 1 3 349.244 1.789 20 0 EDADHO COC[C@]1(c2nc(-c3ccccc3OCCN(C)C)no2)CC[NH2+]C1 ZINC000822807891 594103724 /nfs/dbraw/zinc/10/37/24/594103724.db2.gz JWXRLOOXGLWRRA-SFHVURJKSA-N 1 3 346.431 1.555 20 0 EDADHO c1ccc(C[N@@H+]2CCC[C@H](c3nc(N4CCNCC4)no3)C2)cc1 ZINC000823315526 594184656 /nfs/dbraw/zinc/18/46/56/594184656.db2.gz MYODNGIJQOGKPD-INIZCTEOSA-N 1 3 327.432 1.859 20 0 EDADHO c1ccc(C[N@H+]2CCC[C@H](c3nc(N4CCNCC4)no3)C2)cc1 ZINC000823315526 594184657 /nfs/dbraw/zinc/18/46/57/594184657.db2.gz MYODNGIJQOGKPD-INIZCTEOSA-N 1 3 327.432 1.859 20 0 EDADHO Cc1c(C(=O)NC[C@H](C)N2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000827473947 594675483 /nfs/dbraw/zinc/67/54/83/594675483.db2.gz MFJMNZDJNGPSQE-ZDUSSCGKSA-N 1 3 334.468 1.115 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000841017982 594839974 /nfs/dbraw/zinc/83/99/74/594839974.db2.gz NAKDTYIHEHZANY-QGZVFWFLSA-N 1 3 331.464 1.687 20 0 EDADHO CN1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](CN)C1 ZINC000841850055 594965132 /nfs/dbraw/zinc/96/51/32/594965132.db2.gz WAGKWPGVGZDRQN-KRWDZBQOSA-N 1 3 339.528 1.317 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000841851493 594965266 /nfs/dbraw/zinc/96/52/66/594965266.db2.gz LLICTCNIXKXEKO-SCTDSRPQSA-N 1 3 333.451 1.887 20 0 EDADHO CN(CCOc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843354684 595084989 /nfs/dbraw/zinc/08/49/89/595084989.db2.gz BZSHYACRZPACII-UHFFFAOYSA-N 1 3 326.462 1.671 20 0 EDADHO CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000844174240 595291976 /nfs/dbraw/zinc/29/19/76/595291976.db2.gz SCOWGBCBKYPABD-MOPGFXCFSA-N 1 3 345.487 1.878 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000843124809 595293118 /nfs/dbraw/zinc/29/31/18/595293118.db2.gz HIFAXNUKCYTKPZ-AEFFLSMTSA-N 1 3 327.432 1.596 20 0 EDADHO CC[NH2+]CC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000844192341 595298436 /nfs/dbraw/zinc/29/84/36/595298436.db2.gz MCSYUMZNGBFHBQ-UHFFFAOYSA-N 1 3 332.492 1.310 20 0 EDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708891 595305055 /nfs/dbraw/zinc/30/50/55/595305055.db2.gz XLGUHUMVWXOFIU-HOTGVXAUSA-N 1 3 346.475 1.663 20 0 EDADHO CN(CC(=O)NCCN1CCc2ccccc21)C1CCC([NH3+])CC1 ZINC000844220711 595306197 /nfs/dbraw/zinc/30/61/97/595306197.db2.gz KLDPZHWYZUMKDX-UHFFFAOYSA-N 1 3 330.476 1.367 20 0 EDADHO Cc1cccc(NC(=[NH2+])NCC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000849116242 595484583 /nfs/dbraw/zinc/48/45/83/595484583.db2.gz KEHDRTDXHRDDDU-UHFFFAOYSA-N 1 3 345.491 1.728 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549549 /nfs/dbraw/zinc/54/95/49/595549549.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 1 3 333.480 1.056 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549553 /nfs/dbraw/zinc/54/95/53/595549553.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 1 3 333.480 1.056 20 0 EDADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495933 595550347 /nfs/dbraw/zinc/55/03/47/595550347.db2.gz GXQHVZKTDQSJOE-PVAVHDDUSA-N 1 3 335.496 1.300 20 0 EDADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](C)N(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495933 595550349 /nfs/dbraw/zinc/55/03/49/595550349.db2.gz GXQHVZKTDQSJOE-PVAVHDDUSA-N 1 3 335.496 1.300 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495275 595550372 /nfs/dbraw/zinc/55/03/72/595550372.db2.gz BSMHRRBWTMQHBS-ROUUACIJSA-N 1 3 347.507 1.448 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000849600118 595588879 /nfs/dbraw/zinc/58/88/79/595588879.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 1 3 347.507 1.304 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000849600118 595588881 /nfs/dbraw/zinc/58/88/81/595588881.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 1 3 347.507 1.304 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941177 /nfs/dbraw/zinc/94/11/77/595941177.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941178 /nfs/dbraw/zinc/94/11/78/595941178.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 1 3 349.523 1.692 20 0 EDADHO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000861573546 596033387 /nfs/dbraw/zinc/03/33/87/596033387.db2.gz IUFJGMNJEXARHS-CQSZACIVSA-N 1 3 334.464 1.132 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045790 /nfs/dbraw/zinc/04/57/90/596045790.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 1 3 337.489 1.294 20 0 EDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045795 /nfs/dbraw/zinc/04/57/95/596045795.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 1 3 337.489 1.294 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000861630623 596051323 /nfs/dbraw/zinc/05/13/23/596051323.db2.gz UFMUEDFDPWQQMS-IBGZPJMESA-N 1 3 348.491 1.515 20 0 EDADHO C[N@@H+]1CCC[C@H]1CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852174828 596070978 /nfs/dbraw/zinc/07/09/78/596070978.db2.gz MVOBIUGKBMXOFM-HNNXBMFYSA-N 1 3 341.496 1.822 20 0 EDADHO C[N@H+]1CCC[C@H]1CCNC1(CO)CCN(C(=O)OC(C)(C)C)CC1 ZINC000852174828 596070982 /nfs/dbraw/zinc/07/09/82/596070982.db2.gz MVOBIUGKBMXOFM-HNNXBMFYSA-N 1 3 341.496 1.822 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861745369 596086340 /nfs/dbraw/zinc/08/63/40/596086340.db2.gz JQRCTXIJGXKCEE-NVXWUHKLSA-N 1 3 348.491 1.065 20 0 EDADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745368 596086370 /nfs/dbraw/zinc/08/63/70/596086370.db2.gz JQRCTXIJGXKCEE-DOTOQJQBSA-N 1 3 348.491 1.065 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@H](C)[NH3+])c(C)c2)CC1 ZINC000859621422 596148718 /nfs/dbraw/zinc/14/87/18/596148718.db2.gz LGRFIRWEBXFSSK-HNNXBMFYSA-N 1 3 333.480 1.948 20 0 EDADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569810 596254433 /nfs/dbraw/zinc/25/44/33/596254433.db2.gz DXISMPMZPCHHLC-HOCLYGCPSA-N 1 3 345.553 1.934 20 0 EDADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569810 596254436 /nfs/dbraw/zinc/25/44/36/596254436.db2.gz DXISMPMZPCHHLC-HOCLYGCPSA-N 1 3 345.553 1.934 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000863549807 596614422 /nfs/dbraw/zinc/61/44/22/596614422.db2.gz RRSKVDDHUODVSM-RBUKOAKNSA-N 1 3 341.455 1.932 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000869777262 596628003 /nfs/dbraw/zinc/62/80/03/596628003.db2.gz LHGMKBZUGDCBFN-SFHVURJKSA-N 1 3 345.487 1.857 20 0 EDADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000867987272 596645599 /nfs/dbraw/zinc/64/55/99/596645599.db2.gz JBBDDCFXENKPDI-MLGOLLRUSA-N 1 3 340.431 1.641 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158701 596817115 /nfs/dbraw/zinc/81/71/15/596817115.db2.gz XENRFIYVLODVGT-JFIYKMOQSA-N 1 3 337.508 1.853 20 0 EDADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000874365654 597037978 /nfs/dbraw/zinc/03/79/78/597037978.db2.gz RUXLTZKAPREFGW-IAGOWNOFSA-N 1 3 344.459 1.382 20 0 EDADHO [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1(F)F ZINC000876708795 597297002 /nfs/dbraw/zinc/29/70/02/597297002.db2.gz AWHGNPBDVAUUSI-NTZNESFSSA-N 1 3 329.416 1.841 20 0 EDADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)CN1CCCCC1 ZINC000876724236 597306802 /nfs/dbraw/zinc/30/68/02/597306802.db2.gz QVGLYACKNQOJNP-CVEARBPZSA-N 1 3 333.480 1.720 20 0 EDADHO Cc1ccc([C@H](CNC(=O)c2c(C[NH3+])cnn2C)N2CCCC2)cc1 ZINC000876740585 597316975 /nfs/dbraw/zinc/31/69/75/597316975.db2.gz JHRXJNJWRBBBFY-KRWDZBQOSA-N 1 3 341.459 1.754 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742281 597317653 /nfs/dbraw/zinc/31/76/53/597317653.db2.gz XARRDXQPSCGFSG-CABCVRRESA-N 1 3 333.480 1.605 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c(CN)cnn2C)C1 ZINC000876742281 597317657 /nfs/dbraw/zinc/31/76/57/597317657.db2.gz XARRDXQPSCGFSG-CABCVRRESA-N 1 3 333.480 1.605 20 0 EDADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876744471 597318041 /nfs/dbraw/zinc/31/80/41/597318041.db2.gz VDRDCFKJXJXCOM-HNNXBMFYSA-N 1 3 336.505 1.371 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782023 597339015 /nfs/dbraw/zinc/33/90/15/597339015.db2.gz LQYYKVMAOCSOIQ-UHFFFAOYSA-N 1 3 342.447 1.273 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782023 597339017 /nfs/dbraw/zinc/33/90/17/597339017.db2.gz LQYYKVMAOCSOIQ-UHFFFAOYSA-N 1 3 342.447 1.273 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000879558332 597631656 /nfs/dbraw/zinc/63/16/56/597631656.db2.gz IRGAMDZJPJMSDX-HUUCEWRRSA-N 1 3 325.522 1.660 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000879590776 597647710 /nfs/dbraw/zinc/64/77/10/597647710.db2.gz DNWGFFFMDQBFMX-LJQANCHMSA-N 1 3 347.503 1.447 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@H](COC)C3)CC2)CC1 ZINC000882095256 597867013 /nfs/dbraw/zinc/86/70/13/597867013.db2.gz DMUYRQLAKPWXSG-WOVMCDHWSA-N 1 3 337.508 1.724 20 0 EDADHO C[NH2+]CCOc1ccccc1C(=O)Nc1cnc2c(c1)CNCC2 ZINC000884243607 598040844 /nfs/dbraw/zinc/04/08/44/598040844.db2.gz LNQDPGGYPQKQCU-UHFFFAOYSA-N 1 3 326.400 1.578 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914076093 695071474 /nfs/dbraw/zinc/07/14/74/695071474.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914076093 695071477 /nfs/dbraw/zinc/07/14/77/695071477.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 1 3 338.496 1.413 20 0 EDADHO Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCCC3)C[C@@H]21 ZINC000992925118 695456926 /nfs/dbraw/zinc/45/69/26/695456926.db2.gz ZVWLNFXPMBSRFA-YESZJQIVSA-N 1 3 346.475 1.796 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000915136302 695748456 /nfs/dbraw/zinc/74/84/56/695748456.db2.gz OXSFWKQLZUVBOC-DOTOQJQBSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCN2C2CCOCC2)C1 ZINC000915136302 695748457 /nfs/dbraw/zinc/74/84/57/695748457.db2.gz OXSFWKQLZUVBOC-DOTOQJQBSA-N 1 3 338.496 1.269 20 0 EDADHO Cc1noc(C)c1CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054417 699114819 /nfs/dbraw/zinc/11/48/19/699114819.db2.gz JDQTXZXBHPKZJM-YVEFUNNKSA-N 1 3 334.464 1.570 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[N@@H+]4CCC[C@H]4C)CC3)C2)C1 ZINC000941566722 701585359 /nfs/dbraw/zinc/58/53/59/701585359.db2.gz KYTAEQPDXVBXOM-LXPRWKDFSA-N 1 3 348.535 1.345 20 0 EDADHO CC1CC(CN2CC(N3CCN(C(=O)C[N@H+]4CCC[C@H]4C)CC3)C2)C1 ZINC000941566722 701585360 /nfs/dbraw/zinc/58/53/60/701585360.db2.gz KYTAEQPDXVBXOM-LXPRWKDFSA-N 1 3 348.535 1.345 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1ccnc(Cl)c1 ZINC000939543297 699684478 /nfs/dbraw/zinc/68/44/78/699684478.db2.gz CFRUTCPPTKHODC-DZGCQCFKSA-N 1 3 348.878 1.767 20 0 EDADHO Cc1ncoc1CNC[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012117 699953276 /nfs/dbraw/zinc/95/32/76/699953276.db2.gz DSERHOXAJMJWFW-HZPDHXFCSA-N 1 3 346.475 1.986 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCCN3C)CC2)nn1C ZINC000940178048 700311307 /nfs/dbraw/zinc/31/13/07/700311307.db2.gz AOOXJQMQUQTSCE-QGZVFWFLSA-N 1 3 347.507 1.684 20 0 EDADHO CC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000940219666 700381151 /nfs/dbraw/zinc/38/11/51/700381151.db2.gz UFMNTZGFEDOKQY-KOHRHEQBSA-N 1 3 333.476 1.230 20 0 EDADHO CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000940353061 700536945 /nfs/dbraw/zinc/53/69/45/700536945.db2.gz HHTUEAXQXNAACE-OAHLLOKOSA-N 1 3 334.464 1.738 20 0 EDADHO Cn1cc(CNC2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)nn1 ZINC000940366429 700548105 /nfs/dbraw/zinc/54/81/05/700548105.db2.gz XWOOWGRWDBKEOD-UHFFFAOYSA-N 1 3 348.495 1.018 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940426266 700620066 /nfs/dbraw/zinc/62/00/66/700620066.db2.gz MJBBWVBYURJAHZ-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2CCC(C)(NCc3cnns3)CC2)C1 ZINC000940426266 700620067 /nfs/dbraw/zinc/62/00/67/700620067.db2.gz MJBBWVBYURJAHZ-CYBMUJFWSA-N 1 3 337.493 1.351 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426273 700620107 /nfs/dbraw/zinc/62/01/07/700620107.db2.gz MQFGSBNERPQYPU-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426273 700620108 /nfs/dbraw/zinc/62/01/08/700620108.db2.gz MQFGSBNERPQYPU-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncoc1CNC[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076010 700641500 /nfs/dbraw/zinc/64/15/00/700641500.db2.gz BTSHGRFCLRGWFX-GOEBONIOSA-N 1 3 334.464 1.699 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074340 701101535 /nfs/dbraw/zinc/10/15/35/701101535.db2.gz BQSVSRQIONGABI-IAGOWNOFSA-N 1 3 339.524 1.850 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C)N1CCCCCC1 ZINC000941074340 701101536 /nfs/dbraw/zinc/10/15/36/701101536.db2.gz BQSVSRQIONGABI-IAGOWNOFSA-N 1 3 339.524 1.850 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)N1CCCCCC1 ZINC000941076741 701104318 /nfs/dbraw/zinc/10/43/18/701104318.db2.gz ZTMVGORBBARDRZ-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C)N1CCCCCC1 ZINC000941076741 701104319 /nfs/dbraw/zinc/10/43/19/701104319.db2.gz ZTMVGORBBARDRZ-JKSUJKDBSA-N 1 3 325.497 1.460 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170819 706600150 /nfs/dbraw/zinc/60/01/50/706600150.db2.gz SRNLBXLRBJKGIX-DOTOQJQBSA-N 1 3 348.516 1.874 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](NCc2cncc(F)c2)C1 ZINC000999171297 706601544 /nfs/dbraw/zinc/60/15/44/706601544.db2.gz VZURBNNYJPYRAY-QZTJIDSGSA-N 1 3 346.450 1.643 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941431826 701538234 /nfs/dbraw/zinc/53/82/34/701538234.db2.gz UTMOMSRYLWTUHZ-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941431826 701538235 /nfs/dbraw/zinc/53/82/35/701538235.db2.gz UTMOMSRYLWTUHZ-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO Cc1cc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000999174394 706605929 /nfs/dbraw/zinc/60/59/29/706605929.db2.gz OSKRFKHMSFXVJM-NVXWUHKLSA-N 1 3 348.516 1.874 20 0 EDADHO CCc1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978030 701984469 /nfs/dbraw/zinc/98/44/69/701984469.db2.gz MRBQABVFDWEVFI-DNVCBOLYSA-N 1 3 329.488 1.995 20 0 EDADHO CCc1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978030 701984475 /nfs/dbraw/zinc/98/44/75/701984475.db2.gz MRBQABVFDWEVFI-DNVCBOLYSA-N 1 3 329.488 1.995 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802762 702046861 /nfs/dbraw/zinc/04/68/61/702046861.db2.gz OHLFZUIPBFHTPA-IRXDYDNUSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2cncn2C)C(C)(C)C1 ZINC000995802762 702046867 /nfs/dbraw/zinc/04/68/67/702046867.db2.gz OHLFZUIPBFHTPA-IRXDYDNUSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791893 702086486 /nfs/dbraw/zinc/08/64/86/702086486.db2.gz FAPDERNDGNALEW-IAGOWNOFSA-N 1 3 347.507 1.620 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1 ZINC000995791893 702086495 /nfs/dbraw/zinc/08/64/95/702086495.db2.gz FAPDERNDGNALEW-IAGOWNOFSA-N 1 3 347.507 1.620 20 0 EDADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1NCc1cncs1 ZINC000995822288 702091635 /nfs/dbraw/zinc/09/16/35/702091635.db2.gz JZNMEXQAJZFDKO-CVEARBPZSA-N 1 3 348.516 1.812 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)c1 ZINC001032206491 702149000 /nfs/dbraw/zinc/14/90/00/702149000.db2.gz BYQLLVLCRLXMJU-MRXNPFEDSA-N 1 3 345.487 1.836 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032206687 702155995 /nfs/dbraw/zinc/15/59/95/702155995.db2.gz HROJSVGEXCZKRI-INIZCTEOSA-N 1 3 345.487 1.836 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]C[C@@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888861 702228436 /nfs/dbraw/zinc/22/84/36/702228436.db2.gz SDYZZNPYIWLXCI-HOTGVXAUSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302685 702694779 /nfs/dbraw/zinc/69/47/79/702694779.db2.gz YSVQHJLAZCOQSE-RDJZCZTQSA-N 1 3 347.507 1.131 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)on1 ZINC000996462906 702790511 /nfs/dbraw/zinc/79/05/11/702790511.db2.gz CMMCINRIHINPPZ-QGZVFWFLSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)on1 ZINC000996462906 702790513 /nfs/dbraw/zinc/79/05/13/702790513.db2.gz CMMCINRIHINPPZ-QGZVFWFLSA-N 1 3 334.464 1.936 20 0 EDADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC(NCc2cnns2)CC1 ZINC000996501573 702840628 /nfs/dbraw/zinc/84/06/28/702840628.db2.gz LIFSZCXOKZIBAQ-HIFRSBDPSA-N 1 3 349.504 1.493 20 0 EDADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC(NCc2cnns2)CC1 ZINC000996501573 702840630 /nfs/dbraw/zinc/84/06/30/702840630.db2.gz LIFSZCXOKZIBAQ-HIFRSBDPSA-N 1 3 349.504 1.493 20 0 EDADHO COc1ccc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614258 702919819 /nfs/dbraw/zinc/91/98/19/702919819.db2.gz MQQNTMZKGVOUNY-CVEARBPZSA-N 1 3 346.475 1.369 20 0 EDADHO COc1ccc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996614258 702919821 /nfs/dbraw/zinc/91/98/21/702919821.db2.gz MQQNTMZKGVOUNY-CVEARBPZSA-N 1 3 346.475 1.369 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)sn1 ZINC000996618541 702925098 /nfs/dbraw/zinc/92/50/98/702925098.db2.gz XPNZNMFHGXSLKC-DZGCQCFKSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)sn1 ZINC000996618541 702925100 /nfs/dbraw/zinc/92/51/00/702925100.db2.gz XPNZNMFHGXSLKC-DZGCQCFKSA-N 1 3 336.505 1.730 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000996678454 702977345 /nfs/dbraw/zinc/97/73/45/702977345.db2.gz NTWZSKKSDKUVQU-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(NCc2cnns2)CC1 ZINC000996686941 702984324 /nfs/dbraw/zinc/98/43/24/702984324.db2.gz DLGMTZPLWFKAFE-AWEZNQCLSA-N 1 3 337.493 1.493 20 0 EDADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC(NCc2cnns2)CC1 ZINC000996686941 702984327 /nfs/dbraw/zinc/98/43/27/702984327.db2.gz DLGMTZPLWFKAFE-AWEZNQCLSA-N 1 3 337.493 1.493 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996686565 702993243 /nfs/dbraw/zinc/99/32/43/702993243.db2.gz DCHRZAPHWWFGOU-KRWDZBQOSA-N 1 3 336.480 1.904 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)N(C)C ZINC000996963553 703232027 /nfs/dbraw/zinc/23/20/27/703232027.db2.gz DYRBLHSXRTYMQU-LJQANCHMSA-N 1 3 347.503 1.846 20 0 EDADHO COc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)n1 ZINC000996994708 703251509 /nfs/dbraw/zinc/25/15/09/703251509.db2.gz ISBYBNABDDNLEE-HNNXBMFYSA-N 1 3 346.475 1.655 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)C1 ZINC000996996918 703260475 /nfs/dbraw/zinc/26/04/75/703260475.db2.gz BSIGXCICCPUBIF-JXFKEZNVSA-N 1 3 349.519 1.726 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC000997004482 703261536 /nfs/dbraw/zinc/26/15/36/703261536.db2.gz DIZBZAFHDIVNMB-GDBMZVCRSA-N 1 3 345.491 1.768 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997006948 703264166 /nfs/dbraw/zinc/26/41/66/703264166.db2.gz HUFAORIGXRSDFJ-SUMWQHHRSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997006948 703264169 /nfs/dbraw/zinc/26/41/69/703264169.db2.gz HUFAORIGXRSDFJ-SUMWQHHRSA-N 1 3 331.464 1.063 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cnc(OC)nc2C)CC1)N(C)C ZINC000997009134 703269760 /nfs/dbraw/zinc/26/97/60/703269760.db2.gz HWDOGQGEEQHQHX-INIZCTEOSA-N 1 3 349.479 1.214 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)C1 ZINC000997016417 703275124 /nfs/dbraw/zinc/27/51/24/703275124.db2.gz VCPKRTOLLOJUGG-PREGVCBESA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H](C(=O)N1CCC(NCc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC000997074230 703316938 /nfs/dbraw/zinc/31/69/38/703316938.db2.gz UPGVJUHDYIDYPB-INIZCTEOSA-N 1 3 347.507 1.765 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCOCC2)CC[N@@H+]1C ZINC001032411816 703448978 /nfs/dbraw/zinc/44/89/78/703448978.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 1 3 349.519 1.819 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCOCC2)CC[N@H+]1C ZINC001032411816 703448979 /nfs/dbraw/zinc/44/89/79/703448979.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 1 3 349.519 1.819 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359192 703589873 /nfs/dbraw/zinc/58/98/73/703589873.db2.gz GNMZUYJPAZCDQG-OKILXGFUSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359192 703589874 /nfs/dbraw/zinc/58/98/74/703589874.db2.gz GNMZUYJPAZCDQG-OKILXGFUSA-N 1 3 334.464 1.936 20 0 EDADHO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC000997367569 703601747 /nfs/dbraw/zinc/60/17/47/703601747.db2.gz KOQUGDHIVITMBO-KRWDZBQOSA-N 1 3 348.495 1.253 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997368146 703604892 /nfs/dbraw/zinc/60/48/92/703604892.db2.gz QBADABYHIKVFAO-UHFFFAOYSA-N 1 3 347.507 1.860 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000997611779 703911999 /nfs/dbraw/zinc/91/19/99/703911999.db2.gz HIGFFZDPXVXGBL-MAUKXSAKSA-N 1 3 345.491 1.768 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)N(C)C ZINC000998085425 705317102 /nfs/dbraw/zinc/31/71/02/705317102.db2.gz FYTJAXGAXNJXLY-KRWDZBQOSA-N 1 3 325.497 1.581 20 0 EDADHO Cc1ccncc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998115833 705370248 /nfs/dbraw/zinc/37/02/48/705370248.db2.gz QNYZXVIJXIEGMN-UHFFFAOYSA-N 1 3 327.432 1.684 20 0 EDADHO Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000998270642 705649268 /nfs/dbraw/zinc/64/92/68/705649268.db2.gz WYXUXBTXCRJJCB-MRXNPFEDSA-N 1 3 345.491 1.770 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548356 705984100 /nfs/dbraw/zinc/98/41/00/705984100.db2.gz GZXKFGDPOCTUNY-ABHNRTSZSA-N 1 3 331.460 1.352 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000998780553 706221343 /nfs/dbraw/zinc/22/13/43/706221343.db2.gz PDCHFWQZMLTHKM-VMWRSERWSA-N 1 3 343.475 1.206 20 0 EDADHO Cc1oncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517186 706520466 /nfs/dbraw/zinc/52/04/66/706520466.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO Cc1oncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517186 706520469 /nfs/dbraw/zinc/52/04/69/706520469.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 1 3 346.475 1.748 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CC(C)(C)CO3)C2)CCC1 ZINC000999355191 706844369 /nfs/dbraw/zinc/84/43/69/706844369.db2.gz SVFPXQYQKRKBHT-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999349204 706861356 /nfs/dbraw/zinc/86/13/56/706861356.db2.gz ROJPLQVCYIQRMC-SJORKVTESA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCc3cncn3C)C2)C1 ZINC000999349204 706861358 /nfs/dbraw/zinc/86/13/58/706861358.db2.gz ROJPLQVCYIQRMC-SJORKVTESA-N 1 3 347.507 1.479 20 0 EDADHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cn1 ZINC000999371018 706885153 /nfs/dbraw/zinc/88/51/53/706885153.db2.gz MPROKYNZFWAMON-AEFFLSMTSA-N 1 3 346.475 1.511 20 0 EDADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398873 706893317 /nfs/dbraw/zinc/89/33/17/706893317.db2.gz ASZMNZMTXGZBPH-UQPPLGOBSA-N 1 3 333.480 1.026 20 0 EDADHO CCn1nncc1C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC000999596956 707099990 /nfs/dbraw/zinc/09/99/90/707099990.db2.gz BYFHJGGNTTUMPM-UHFFFAOYSA-N 1 3 348.495 1.109 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235869 /nfs/dbraw/zinc/23/58/69/707235869.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 1 3 337.508 1.534 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235871 /nfs/dbraw/zinc/23/58/71/707235871.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 1 3 337.508 1.534 20 0 EDADHO C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800355 707451212 /nfs/dbraw/zinc/45/12/12/707451212.db2.gz AMPOMBWQSBIWHJ-LISAXSMJSA-N 1 3 346.475 1.690 20 0 EDADHO C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH]cn4)CC[C@@H]3C2)O1 ZINC000946800355 707451216 /nfs/dbraw/zinc/45/12/16/707451216.db2.gz AMPOMBWQSBIWHJ-LISAXSMJSA-N 1 3 346.475 1.690 20 0 EDADHO COc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC000999834136 707466882 /nfs/dbraw/zinc/46/68/82/707466882.db2.gz SKXFVFQYSQAHLV-UHFFFAOYSA-N 1 3 331.460 1.870 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876844 707525002 /nfs/dbraw/zinc/52/50/02/707525002.db2.gz UMBKPJKFMJFNMD-DQPZFDDXSA-N 1 3 333.480 1.374 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001000185151 707823899 /nfs/dbraw/zinc/82/38/99/707823899.db2.gz PLQWTWVSCMWYLY-WBVHZDCISA-N 1 3 346.475 1.655 20 0 EDADHO COc1cccc(CN[C@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001000185151 707823903 /nfs/dbraw/zinc/82/39/03/707823903.db2.gz PLQWTWVSCMWYLY-WBVHZDCISA-N 1 3 346.475 1.655 20 0 EDADHO COC(=O)[C@H](C)Oc1ccccc1CNCC1(O)CC[NH+](C)CC1 ZINC000921768814 708007683 /nfs/dbraw/zinc/00/76/83/708007683.db2.gz CBSHOJKHHJINEX-AWEZNQCLSA-N 1 3 336.432 1.173 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001001008414 708082218 /nfs/dbraw/zinc/08/22/18/708082218.db2.gz PVDCRHJENMDALH-ZWKOTPCHSA-N 1 3 347.507 1.418 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CC[C@@H]1CCCO1 ZINC001032802326 708086177 /nfs/dbraw/zinc/08/61/77/708086177.db2.gz UYEPCJVAVJWVHX-BZSNNMDCSA-N 1 3 335.492 1.717 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001033583649 708308067 /nfs/dbraw/zinc/30/80/67/708308067.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 1 3 347.507 1.374 20 0 EDADHO Cc1cc(C)n(CCN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001033583649 708308070 /nfs/dbraw/zinc/30/80/70/708308070.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 1 3 347.507 1.374 20 0 EDADHO CN(C(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423895 708941718 /nfs/dbraw/zinc/94/17/18/708941718.db2.gz GOZTUYFMTICTPY-QZTJIDSGSA-N 1 3 335.492 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037726 709270148 /nfs/dbraw/zinc/27/01/48/709270148.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 1 3 347.507 1.320 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCc2cnn(CC)c2)C1 ZINC001034037726 709270151 /nfs/dbraw/zinc/27/01/51/709270151.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 1 3 347.507 1.320 20 0 EDADHO O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001002875755 709483006 /nfs/dbraw/zinc/48/30/06/709483006.db2.gz QOIVQTGVNPXEOD-RTBURBONSA-N 1 3 347.503 1.931 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002953838 709654133 /nfs/dbraw/zinc/65/41/33/709654133.db2.gz DHYFQDYRDKXCGU-SJLPKXTDSA-N 1 3 337.508 1.868 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCCN(CCOC)C2)C1 ZINC001034369768 709855857 /nfs/dbraw/zinc/85/58/57/709855857.db2.gz UZKXCUHCRVUFEI-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCCN(CCOC)C2)C1 ZINC001034369768 709855861 /nfs/dbraw/zinc/85/58/61/709855861.db2.gz UZKXCUHCRVUFEI-SJORKVTESA-N 1 3 325.497 1.726 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)c1 ZINC001034536504 710208516 /nfs/dbraw/zinc/20/85/16/710208516.db2.gz GEMKQEOIWWFNEC-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CCCO)C2)c1 ZINC001034536504 710208521 /nfs/dbraw/zinc/20/85/21/710208521.db2.gz GEMKQEOIWWFNEC-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003546873 710413640 /nfs/dbraw/zinc/41/36/40/710413640.db2.gz DOXJNCKPGKMBKA-UHFFFAOYSA-N 1 3 347.507 1.368 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628667 710458708 /nfs/dbraw/zinc/45/87/08/710458708.db2.gz SNWIOTMJFUJEQE-KDOFPFPSSA-N 1 3 343.487 1.814 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632686 710461396 /nfs/dbraw/zinc/46/13/96/710461396.db2.gz BRDGZLNXJUFFAV-DNVCBOLYSA-N 1 3 345.487 1.974 20 0 EDADHO COc1ccc(CN2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632686 710461398 /nfs/dbraw/zinc/46/13/98/710461398.db2.gz BRDGZLNXJUFFAV-DNVCBOLYSA-N 1 3 345.487 1.974 20 0 EDADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736582 710924005 /nfs/dbraw/zinc/92/40/05/710924005.db2.gz XFCQBYUWNKPFIF-XIRDDKMYSA-N 1 3 333.480 1.421 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001034786356 711091067 /nfs/dbraw/zinc/09/10/67/711091067.db2.gz NDTGXKHRGZAUHJ-TUUVXOQKSA-N 1 3 334.464 1.845 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001004052385 711340124 /nfs/dbraw/zinc/34/01/24/711340124.db2.gz HSFZRUFDTHFRHD-UKRRQHHQSA-N 1 3 334.464 1.656 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743165 711367746 /nfs/dbraw/zinc/36/77/46/711367746.db2.gz XPMPSAXEHXEXIR-RMXPPQQLSA-N 1 3 333.476 1.182 20 0 EDADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cnccn1 ZINC001034957173 711428438 /nfs/dbraw/zinc/42/84/38/711428438.db2.gz LJFJVCQGJDRWSN-HUUCEWRRSA-N 1 3 331.464 1.603 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)CC[N@@H+]1C ZINC001034941752 711446641 /nfs/dbraw/zinc/44/66/41/711446641.db2.gz WIKHZWQMRAPTMW-HYVNUMGLSA-N 1 3 333.480 1.231 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2cncn2C)CC[N@H+]1C ZINC001034941752 711446642 /nfs/dbraw/zinc/44/66/42/711446642.db2.gz WIKHZWQMRAPTMW-HYVNUMGLSA-N 1 3 333.480 1.231 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922395018 711461204 /nfs/dbraw/zinc/46/12/04/711461204.db2.gz PWZNKLDEYUALOF-RWQQGDIJSA-N 1 3 332.492 1.998 20 0 EDADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922395018 711461207 /nfs/dbraw/zinc/46/12/07/711461207.db2.gz PWZNKLDEYUALOF-RWQQGDIJSA-N 1 3 332.492 1.998 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001004150010 711564721 /nfs/dbraw/zinc/56/47/21/711564721.db2.gz QOBIWIWPLNCMSY-INIZCTEOSA-N 1 3 331.460 1.598 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(CCOc3ccccc3)CC2)C1 ZINC001004150010 711564722 /nfs/dbraw/zinc/56/47/22/711564722.db2.gz QOBIWIWPLNCMSY-INIZCTEOSA-N 1 3 331.460 1.598 20 0 EDADHO Cc1ccc(OCCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004151366 711569121 /nfs/dbraw/zinc/56/91/21/711569121.db2.gz XSPZGKMPEHOUNF-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1ccc(OCCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004151366 711569123 /nfs/dbraw/zinc/56/91/23/711569123.db2.gz XSPZGKMPEHOUNF-QGZVFWFLSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623355 711922847 /nfs/dbraw/zinc/92/28/47/711922847.db2.gz IWPYRLJTAQEXGW-BGTYHANMSA-N 1 3 337.508 1.532 20 0 EDADHO CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623355 711922848 /nfs/dbraw/zinc/92/28/48/711922848.db2.gz IWPYRLJTAQEXGW-BGTYHANMSA-N 1 3 337.508 1.532 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@H]2CC1)N(C)C ZINC000946643018 712129945 /nfs/dbraw/zinc/12/99/45/712129945.db2.gz ZAUQEDCZIHXDJT-SOLBZPMBSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2CC1)N(C)C ZINC000946643018 712129946 /nfs/dbraw/zinc/12/99/46/712129946.db2.gz ZAUQEDCZIHXDJT-SOLBZPMBSA-N 1 3 348.491 1.994 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433412021 305108447 /nfs/dbraw/zinc/10/84/47/305108447.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000433412021 305108448 /nfs/dbraw/zinc/10/84/48/305108448.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CN(CC(=O)N1CCCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367116463 282342798 /nfs/dbraw/zinc/34/27/98/282342798.db2.gz CUVAWMFXVMFDST-SFHVURJKSA-N 1 3 336.524 1.489 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)C(C)C)CC2)CC1 ZINC000561298979 306286543 /nfs/dbraw/zinc/28/65/43/306286543.db2.gz CMRVKVRJRJYSSF-QGZVFWFLSA-N 1 3 325.497 1.316 20 0 EDADHO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000347329548 539863937 /nfs/dbraw/zinc/86/39/37/539863937.db2.gz YKSRHZQUZRDISJ-ZBRFXRBCSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000347329548 539863942 /nfs/dbraw/zinc/86/39/42/539863942.db2.gz YKSRHZQUZRDISJ-ZBRFXRBCSA-N 1 3 325.497 1.015 20 0 EDADHO CSC1(CNC(=O)NCc2ccc(C[NH3+])cc2)CCN(C)CC1 ZINC000563090277 306318452 /nfs/dbraw/zinc/31/84/52/306318452.db2.gz FPBULLUYJUOQJY-UHFFFAOYSA-N 1 3 336.505 1.772 20 0 EDADHO CN(C)CCOCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401901135 303860349 /nfs/dbraw/zinc/86/03/49/303860349.db2.gz OMZQFPANWGPNHA-KRWDZBQOSA-N 1 3 335.448 1.565 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000180976616 540122750 /nfs/dbraw/zinc/12/27/50/540122750.db2.gz SIMHPBKBLVJMBT-SFHVURJKSA-N 1 3 331.460 1.781 20 0 EDADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000563381821 306330999 /nfs/dbraw/zinc/33/09/99/306330999.db2.gz VQXUXFSYNGAUMP-MRXNPFEDSA-N 1 3 339.480 1.251 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686942 283148646 /nfs/dbraw/zinc/14/86/46/283148646.db2.gz QDVZYSNAKRMMMI-WNRNVDISSA-N 1 3 328.460 1.478 20 0 EDADHO NC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCCCC1 ZINC000563528876 306337305 /nfs/dbraw/zinc/33/73/05/306337305.db2.gz LQVNFHHJWNTDKH-UHFFFAOYSA-N 1 3 346.475 1.571 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000343020551 283210420 /nfs/dbraw/zinc/21/04/20/283210420.db2.gz QUFNQHRSVLKFFL-JKSUJKDBSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000564224463 306357744 /nfs/dbraw/zinc/35/77/44/306357744.db2.gz VKTOQMSIBLSUKB-HOTGVXAUSA-N 1 3 335.496 1.543 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163149 306377008 /nfs/dbraw/zinc/37/70/08/306377008.db2.gz JQWCKBJBIZCOGF-MOPGFXCFSA-N 1 3 341.540 1.369 20 0 EDADHO CSc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N(C)C)cc1 ZINC000565645890 306388724 /nfs/dbraw/zinc/38/87/24/306388724.db2.gz YENGHFUSCWBOIG-QXSJWSMHSA-N 1 3 334.489 1.528 20 0 EDADHO Cc1nn(-c2cccc(F)c2)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000414356564 304111109 /nfs/dbraw/zinc/11/11/09/304111109.db2.gz FFGYWXYDMOVAKD-UHFFFAOYSA-N 1 3 332.423 1.866 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCCC2)cc1 ZINC000414709130 304130984 /nfs/dbraw/zinc/13/09/84/304130984.db2.gz RAQLMZDMQVIWOE-CQSZACIVSA-N 1 3 332.448 1.335 20 0 EDADHO [NH3+]CCCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414741743 304135774 /nfs/dbraw/zinc/13/57/74/304135774.db2.gz HRZXBDOGZXYKJN-NSHDSACASA-N 1 3 341.253 1.843 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC(NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000414788166 304140717 /nfs/dbraw/zinc/14/07/17/304140717.db2.gz CYCXFHIHTKVLAJ-KRWDZBQOSA-N 1 3 339.505 1.721 20 0 EDADHO CC(C)CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414997264 304149094 /nfs/dbraw/zinc/14/90/94/304149094.db2.gz PNDHDAPEMMLFOW-RHSMWYFYSA-N 1 3 346.475 1.881 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000073621946 203270991 /nfs/dbraw/zinc/27/09/91/203270991.db2.gz YNRCWTMMWMXQSE-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000073621946 203270994 /nfs/dbraw/zinc/27/09/94/203270994.db2.gz YNRCWTMMWMXQSE-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CCOc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN)C2)ccc1OC ZINC000415076747 304157708 /nfs/dbraw/zinc/15/77/08/304157708.db2.gz BCEVAODDUUDBTJ-OAHLLOKOSA-N 1 3 335.448 1.381 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000415143218 304163873 /nfs/dbraw/zinc/16/38/73/304163873.db2.gz SGQPVAONKSQUAV-HOCLYGCPSA-N 1 3 334.439 1.191 20 0 EDADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000237065298 139039635 /nfs/dbraw/zinc/03/96/35/139039635.db2.gz XPXFEOSYLBWCRM-PKOBYXMFSA-N 1 3 346.519 1.684 20 0 EDADHO CN(C)CCN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237114703 139041015 /nfs/dbraw/zinc/04/10/15/139041015.db2.gz RSZPAKASNARHAS-UHFFFAOYSA-N 1 3 342.447 1.411 20 0 EDADHO Cc1ccc(NC(=O)CNC[C@H]2CCCO2)c(OCC[NH+](C)C)c1 ZINC000237183014 139043132 /nfs/dbraw/zinc/04/31/32/139043132.db2.gz XLIGXWINQBOHAZ-OAHLLOKOSA-N 1 3 335.448 1.643 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000130519405 205243177 /nfs/dbraw/zinc/24/31/77/205243177.db2.gz YTPJLCHPBRFVPH-QGZVFWFLSA-N 1 3 345.491 1.891 20 0 EDADHO C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)N1CCC(C)CC1 ZINC000111843322 220205075 /nfs/dbraw/zinc/20/50/75/220205075.db2.gz SJJKGNHVWKSKCB-INIZCTEOSA-N 1 3 340.512 1.110 20 0 EDADHO O[C@H](C[NH2+]CC1(CN2CCOCC2)CCCCC1)CN1CCCC1 ZINC000238123204 139069220 /nfs/dbraw/zinc/06/92/20/139069220.db2.gz CZTPZEWLFQAZKA-GOSISDBHSA-N 1 3 339.524 1.315 20 0 EDADHO O[C@H](CNCC1(CN2CCOCC2)CCCCC1)C[NH+]1CCCC1 ZINC000238123204 139069221 /nfs/dbraw/zinc/06/92/21/139069221.db2.gz CZTPZEWLFQAZKA-GOSISDBHSA-N 1 3 339.524 1.315 20 0 EDADHO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000156762109 206097457 /nfs/dbraw/zinc/09/74/57/206097457.db2.gz ARPBSOMJGGEADU-SJORKVTESA-N 1 3 335.492 1.998 20 0 EDADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)[C@@H](C)C1 ZINC000247071390 139134187 /nfs/dbraw/zinc/13/41/87/139134187.db2.gz QDWQTLYTWANQAJ-RDJZCZTQSA-N 1 3 339.505 1.426 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)CC1 ZINC000568512797 306483403 /nfs/dbraw/zinc/48/34/03/306483403.db2.gz LKRPJYVKOYDOQK-HKUYNNGSSA-N 1 3 336.524 1.380 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C(=O)CNC1=O ZINC000248397834 139161790 /nfs/dbraw/zinc/16/17/90/139161790.db2.gz MLJRKYMULWWLEF-HWWDLCQESA-N 1 3 344.459 1.284 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCN1C(=O)CNC1=O ZINC000248397834 139161791 /nfs/dbraw/zinc/16/17/91/139161791.db2.gz MLJRKYMULWWLEF-HWWDLCQESA-N 1 3 344.459 1.284 20 0 EDADHO CCCOc1ccc(OCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636532 139213378 /nfs/dbraw/zinc/21/33/78/139213378.db2.gz HYRWYGIVSUQLCW-QGZVFWFLSA-N 1 3 333.476 1.834 20 0 EDADHO NC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261654627 139214874 /nfs/dbraw/zinc/21/48/74/139214874.db2.gz ASPITMBCIXEIQK-UHFFFAOYSA-N 1 3 331.460 1.523 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261874669 139233172 /nfs/dbraw/zinc/23/31/72/139233172.db2.gz SQKYALOUSZXSGA-RBUKOAKNSA-N 1 3 344.503 1.568 20 0 EDADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000261880088 139233639 /nfs/dbraw/zinc/23/36/39/139233639.db2.gz PCNYZYYSQQGFDP-UHFFFAOYSA-N 1 3 331.460 1.797 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000415504300 304225240 /nfs/dbraw/zinc/22/52/40/304225240.db2.gz XNTROAHAVSLHFZ-MRXNPFEDSA-N 1 3 332.448 1.206 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262067633 139248193 /nfs/dbraw/zinc/24/81/93/139248193.db2.gz BKXDMCSSSSEDIK-SFHVURJKSA-N 1 3 326.448 1.055 20 0 EDADHO Cn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000262127913 139253326 /nfs/dbraw/zinc/25/33/26/139253326.db2.gz NHISLXBKAFRXNY-OAHLLOKOSA-N 1 3 331.489 1.628 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831300 251111450 /nfs/dbraw/zinc/11/14/50/251111450.db2.gz AVMCBPNDPASFIY-SJLPKXTDSA-N 1 3 328.460 1.797 20 0 EDADHO CN(CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873025 251114622 /nfs/dbraw/zinc/11/46/22/251114622.db2.gz MXSBDUDPFGDVAM-LJQANCHMSA-N 1 3 330.476 1.904 20 0 EDADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]12 ZINC000417021063 251136171 /nfs/dbraw/zinc/13/61/71/251136171.db2.gz JTODVOZJMJCJRO-GUDVDZBRSA-N 1 3 342.487 1.814 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)N(C)C)cc1 ZINC000417317099 251156175 /nfs/dbraw/zinc/15/61/75/251156175.db2.gz VNYCGIMCMKYYNZ-IEBWSBKVSA-N 1 3 330.476 1.993 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNCCOC)C1 ZINC000417585615 251198793 /nfs/dbraw/zinc/19/87/93/251198793.db2.gz PPKREXOEBJWTPN-HNNXBMFYSA-N 1 3 328.501 1.422 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCNCCOC)C1 ZINC000417585615 251198795 /nfs/dbraw/zinc/19/87/95/251198795.db2.gz PPKREXOEBJWTPN-HNNXBMFYSA-N 1 3 328.501 1.422 20 0 EDADHO C[NH2+]CCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417632791 251210823 /nfs/dbraw/zinc/21/08/23/251210823.db2.gz XEFCCEKHIPSYEW-UHFFFAOYSA-N 1 3 328.526 1.647 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736441 251248226 /nfs/dbraw/zinc/24/82/26/251248226.db2.gz MPQKVDZMKICNLT-QAPCUYQASA-N 1 3 344.503 1.902 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753074 251256748 /nfs/dbraw/zinc/25/67/48/251256748.db2.gz NXFZEMCVYNMXKI-IAGOWNOFSA-N 1 3 341.544 1.275 20 0 EDADHO COC[C@@]1(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826164 251286397 /nfs/dbraw/zinc/28/63/97/251286397.db2.gz MLWTXIFMQPUWBH-PKOBYXMFSA-N 1 3 327.428 1.582 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417803425 251276345 /nfs/dbraw/zinc/27/63/45/251276345.db2.gz FPDFJWIYNMIHIH-GOEBONIOSA-N 1 3 326.485 1.173 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000417814615 251280788 /nfs/dbraw/zinc/28/07/88/251280788.db2.gz RYIADMFACBHAPF-HNNXBMFYSA-N 1 3 340.512 1.645 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418108467 251325050 /nfs/dbraw/zinc/32/50/50/251325050.db2.gz RMBSZDLMXGKUQT-AEFFLSMTSA-N 1 3 330.476 1.807 20 0 EDADHO CCn1nncc1CNCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000417861619 251302563 /nfs/dbraw/zinc/30/25/63/251302563.db2.gz ALADOKZPGSCCSL-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418708911 251391665 /nfs/dbraw/zinc/39/16/65/251391665.db2.gz JWNAWMSROJWNKE-CQSZACIVSA-N 1 3 346.397 1.881 20 0 EDADHO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000262638674 139292138 /nfs/dbraw/zinc/29/21/38/139292138.db2.gz JETMZSKZINLCEO-IRXDYDNUSA-N 1 3 331.460 1.957 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000262778071 139302907 /nfs/dbraw/zinc/30/29/07/139302907.db2.gz LCJWNNJWLUDTSO-ZDUSSCGKSA-N 1 3 347.463 1.968 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000262856078 139308326 /nfs/dbraw/zinc/30/83/26/139308326.db2.gz KQXQLDLJQBNBFS-JCYILVPMSA-N 1 3 325.497 1.709 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008149 /nfs/dbraw/zinc/00/81/49/252008149.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 1 3 336.524 1.439 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899176 252016550 /nfs/dbraw/zinc/01/65/50/252016550.db2.gz GWVDKUFHYBKXJB-OFQRWUPVSA-N 1 3 333.432 1.028 20 0 EDADHO c1ccc(C[C@@H](NCCCN2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423174670 252042436 /nfs/dbraw/zinc/04/24/36/252042436.db2.gz BUCZJIQPCDQFNG-LJQANCHMSA-N 1 3 325.460 1.645 20 0 EDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423174667 252042603 /nfs/dbraw/zinc/04/26/03/252042603.db2.gz BTRNIYJWKUPSEZ-AWEZNQCLSA-N 1 3 348.882 1.867 20 0 EDADHO C[C@H](NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423180965 252044494 /nfs/dbraw/zinc/04/44/94/252044494.db2.gz LAFMKPUABNFQDR-HNAYVOBHSA-N 1 3 344.503 1.614 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320362 252045396 /nfs/dbraw/zinc/04/53/96/252045396.db2.gz GDBWLNYMBZRYNO-WBVHZDCISA-N 1 3 339.505 1.873 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423357751 252052964 /nfs/dbraw/zinc/05/29/64/252052964.db2.gz ANZCJFMTBCJPHA-WBVHZDCISA-N 1 3 344.459 1.450 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423357751 252052967 /nfs/dbraw/zinc/05/29/67/252052967.db2.gz ANZCJFMTBCJPHA-WBVHZDCISA-N 1 3 344.459 1.450 20 0 EDADHO CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)CCN)CC1)CC(C)C ZINC000423513030 252057656 /nfs/dbraw/zinc/05/76/56/252057656.db2.gz BXUWOTWVLVWVSE-UHFFFAOYSA-N 1 3 340.512 1.010 20 0 EDADHO CC[N@@H+](CCC1CCN(C(=O)C(=O)N(C)CCN)CC1)CC(C)C ZINC000423513030 252057659 /nfs/dbraw/zinc/05/76/59/252057659.db2.gz BXUWOTWVLVWVSE-UHFFFAOYSA-N 1 3 340.512 1.010 20 0 EDADHO CN(C)CCNC(=O)c1cccc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906276 252018590 /nfs/dbraw/zinc/01/85/90/252018590.db2.gz JLCGCTCVUUZKCD-QZTJIDSGSA-N 1 3 332.492 1.728 20 0 EDADHO O=C(COC1CNC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423840314 252088854 /nfs/dbraw/zinc/08/88/54/252088854.db2.gz DTOKLKRGPMQBDZ-UHFFFAOYSA-N 1 3 343.471 1.490 20 0 EDADHO O=C(COC1CNC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423840314 252088858 /nfs/dbraw/zinc/08/88/58/252088858.db2.gz DTOKLKRGPMQBDZ-UHFFFAOYSA-N 1 3 343.471 1.490 20 0 EDADHO CCN(Cc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026419 252119064 /nfs/dbraw/zinc/11/90/64/252119064.db2.gz UOPKFYIFIOAQKA-SFHVURJKSA-N 1 3 331.460 1.861 20 0 EDADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000423791197 252075413 /nfs/dbraw/zinc/07/54/13/252075413.db2.gz HCYJEZCMFVDBGX-QYZOEREBSA-N 1 3 344.503 1.996 20 0 EDADHO CN(Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795942 252079733 /nfs/dbraw/zinc/07/97/33/252079733.db2.gz KYZNPJWSXXPWDW-MJGOQNOKSA-N 1 3 330.476 1.752 20 0 EDADHO COC(=O)CC1CC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000424272427 252187551 /nfs/dbraw/zinc/18/75/51/252187551.db2.gz UFNLKYKLQIYDCM-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424476984 252247032 /nfs/dbraw/zinc/24/70/32/252247032.db2.gz KUFIEGNUNJRTNR-QXCFHYIPSA-N 1 3 342.487 1.900 20 0 EDADHO CNS(=O)(=O)Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000643454568 452230938 /nfs/dbraw/zinc/23/09/38/452230938.db2.gz IJSHWPXYRNFKGS-CVEARBPZSA-N 1 3 325.478 1.343 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccncc1 ZINC000263644614 285276358 /nfs/dbraw/zinc/27/63/58/285276358.db2.gz BVCMIDPVERMWLY-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccncc1 ZINC000263644614 285276359 /nfs/dbraw/zinc/27/63/59/285276359.db2.gz BVCMIDPVERMWLY-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757187 285279661 /nfs/dbraw/zinc/27/96/61/285279661.db2.gz MHNXJFMMRWZZQH-HOTGVXAUSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757187 285279663 /nfs/dbraw/zinc/27/96/63/285279663.db2.gz MHNXJFMMRWZZQH-HOTGVXAUSA-N 1 3 335.496 1.398 20 0 EDADHO COC(=O)c1cn(C2CC[NH+](CCCN3CCCCC3)CC2)nn1 ZINC000119496872 221334788 /nfs/dbraw/zinc/33/47/88/221334788.db2.gz FBCRZDYLMCBHQF-UHFFFAOYSA-N 1 3 335.452 1.578 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1CN(C)C ZINC000415870216 304283174 /nfs/dbraw/zinc/28/31/74/304283174.db2.gz OMTJGFFNCQGMLK-JKSUJKDBSA-N 1 3 344.459 1.063 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000415910983 304284853 /nfs/dbraw/zinc/28/48/53/304284853.db2.gz CSWZIODKZOWHHH-MRXNPFEDSA-N 1 3 347.507 1.944 20 0 EDADHO O=C(NC[C@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCCC1 ZINC000333142018 141271021 /nfs/dbraw/zinc/27/10/21/141271021.db2.gz DEFIPQXPHGMFAU-HNNXBMFYSA-N 1 3 340.537 1.647 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCN(CC2CCCCC2)CC1 ZINC000333850410 141394256 /nfs/dbraw/zinc/39/42/56/141394256.db2.gz PYVQKHXFJHINDM-QGZVFWFLSA-N 1 3 338.496 1.272 20 0 EDADHO CCN(CC)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000339582064 142083062 /nfs/dbraw/zinc/08/30/62/142083062.db2.gz NNYTYAIRUGTJIM-QAPCUYQASA-N 1 3 340.512 1.071 20 0 EDADHO CN1CCC(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC1 ZINC000344949786 143029961 /nfs/dbraw/zinc/02/99/61/143029961.db2.gz OJYZJBCIJKETSH-UHFFFAOYSA-N 1 3 332.448 1.857 20 0 EDADHO CCN1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916414 143146764 /nfs/dbraw/zinc/14/67/64/143146764.db2.gz IYYYPQOBDRTOCN-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1 ZINC000346619474 143222806 /nfs/dbraw/zinc/22/28/06/143222806.db2.gz JLCRAMLDWFTKRS-QGZVFWFLSA-N 1 3 333.476 1.940 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COc1ccccc1 ZINC000346619474 143222807 /nfs/dbraw/zinc/22/28/07/143222807.db2.gz JLCRAMLDWFTKRS-QGZVFWFLSA-N 1 3 333.476 1.940 20 0 EDADHO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347069104 143278665 /nfs/dbraw/zinc/27/86/65/143278665.db2.gz OBIWWUUBGICMAZ-CYBMUJFWSA-N 1 3 345.422 1.503 20 0 EDADHO C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000347089419 143281249 /nfs/dbraw/zinc/28/12/49/143281249.db2.gz KWWTXEQHARJJGI-QFBILLFUSA-N 1 3 345.487 1.810 20 0 EDADHO C[C@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000347089419 143281250 /nfs/dbraw/zinc/28/12/50/143281250.db2.gz KWWTXEQHARJJGI-QFBILLFUSA-N 1 3 345.487 1.810 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000347327347 143309038 /nfs/dbraw/zinc/30/90/38/143309038.db2.gz MUIXWZNRAMHMOI-SJORKVTESA-N 1 3 342.528 1.856 20 0 EDADHO CN(C)CC[NH+]1CCC(CNCc2ncc(CN(C)C)s2)CC1 ZINC000352757980 149151468 /nfs/dbraw/zinc/15/14/68/149151468.db2.gz WXUKFQMWMUGRGK-UHFFFAOYSA-N 1 3 339.553 1.568 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000353113453 149291908 /nfs/dbraw/zinc/29/19/08/149291908.db2.gz QNWDSPYNNREHKC-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCN1CCOC ZINC000353113453 149291911 /nfs/dbraw/zinc/29/19/11/149291911.db2.gz QNWDSPYNNREHKC-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000416964263 304356424 /nfs/dbraw/zinc/35/64/24/304356424.db2.gz CGEIWHOSUCJXLT-CQSZACIVSA-N 1 3 344.406 1.409 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000416971133 304357753 /nfs/dbraw/zinc/35/77/53/304357753.db2.gz OWTSDABSPTVNFH-SFHVURJKSA-N 1 3 348.491 1.944 20 0 EDADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000416974002 304358746 /nfs/dbraw/zinc/35/87/46/304358746.db2.gz KOLPRLLFBYYHHM-GOSISDBHSA-N 1 3 330.476 1.996 20 0 EDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353674005 286151166 /nfs/dbraw/zinc/15/11/66/286151166.db2.gz QUMLLGIECLKZNE-DLBZAZTESA-N 1 3 325.497 1.773 20 0 EDADHO C[C@@H](NC(=O)NCc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000416981292 304360834 /nfs/dbraw/zinc/36/08/34/304360834.db2.gz ZWBBUUKLUZUWTH-NVXWUHKLSA-N 1 3 348.491 1.814 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000355485601 150288396 /nfs/dbraw/zinc/28/83/96/150288396.db2.gz ZAGZSKJMOXBRAU-INIZCTEOSA-N 1 3 348.491 1.863 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)NCC[C@@H](C)[NH3+])cc2)CC1 ZINC000416986103 304361895 /nfs/dbraw/zinc/36/18/95/304361895.db2.gz ISUZWVWJBIFVPV-MRXNPFEDSA-N 1 3 347.507 1.361 20 0 EDADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417040303 304364918 /nfs/dbraw/zinc/36/49/18/304364918.db2.gz KKGBYBNPMKJQRV-ZIAGYGMSSA-N 1 3 332.439 1.795 20 0 EDADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000417040303 304364920 /nfs/dbraw/zinc/36/49/20/304364920.db2.gz KKGBYBNPMKJQRV-ZIAGYGMSSA-N 1 3 332.439 1.795 20 0 EDADHO CC[N@@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141503 151286315 /nfs/dbraw/zinc/28/63/15/151286315.db2.gz PNTMUNNVQWKPNV-FUHWJXTLSA-N 1 3 336.524 1.251 20 0 EDADHO CC[N@H+]1CC[C@@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141503 151286316 /nfs/dbraw/zinc/28/63/16/151286316.db2.gz PNTMUNNVQWKPNV-FUHWJXTLSA-N 1 3 336.524 1.251 20 0 EDADHO COc1cnccc1N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000358271130 151322427 /nfs/dbraw/zinc/32/24/27/151322427.db2.gz DWTRGHQUTJEUTO-SFHVURJKSA-N 1 3 344.459 1.613 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670659 152146336 /nfs/dbraw/zinc/14/63/36/152146336.db2.gz YLMAOGXBNQYCLE-RHSMWYFYSA-N 1 3 340.537 1.740 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCSC1 ZINC000360670659 152146338 /nfs/dbraw/zinc/14/63/38/152146338.db2.gz YLMAOGXBNQYCLE-RHSMWYFYSA-N 1 3 340.537 1.740 20 0 EDADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CN2CCN1CCC2 ZINC000361215085 152337284 /nfs/dbraw/zinc/33/72/84/152337284.db2.gz MHNVVCHTRXMELM-LJQANCHMSA-N 1 3 342.487 1.289 20 0 EDADHO c1ccc(C[NH+]2C[C@H]3CN(CCN4CCCOCC4)C[C@@H]3C2)cc1 ZINC000361397926 152381177 /nfs/dbraw/zinc/38/11/77/152381177.db2.gz ZHCDOBNMJSQQAB-WOJBJXKFSA-N 1 3 329.488 1.773 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417158446 304379013 /nfs/dbraw/zinc/37/90/13/304379013.db2.gz WEQOKSRPEOVCAY-KRWDZBQOSA-N 1 3 347.507 1.483 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000364122848 153150886 /nfs/dbraw/zinc/15/08/86/153150886.db2.gz NTHLIPMZBWDSBE-WFXMFSGNSA-N 1 3 337.508 1.852 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000364122848 153150889 /nfs/dbraw/zinc/15/08/89/153150889.db2.gz NTHLIPMZBWDSBE-WFXMFSGNSA-N 1 3 337.508 1.852 20 0 EDADHO CC[C@H](C(=O)N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000364676267 153300924 /nfs/dbraw/zinc/30/09/24/153300924.db2.gz VPFSJKHCFSFAIQ-USXIJHARSA-N 1 3 335.496 1.602 20 0 EDADHO C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)CN(C)C)C[C@@H]1C[NH3+] ZINC000417199184 304383745 /nfs/dbraw/zinc/38/37/45/304383745.db2.gz SRVADBJHLRFGAA-BPQIPLTHSA-N 1 3 332.492 1.786 20 0 EDADHO O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@]1(F)CCNC1 ZINC000364871177 153356509 /nfs/dbraw/zinc/35/65/09/153356509.db2.gz GPTNNWPBMOPFSB-YOEHRIQHSA-N 1 3 335.379 1.236 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000367403187 154107118 /nfs/dbraw/zinc/10/71/18/154107118.db2.gz VVDXCSWIFUXCGG-CABCVRRESA-N 1 3 325.453 1.134 20 0 EDADHO COCCCNC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367906507 154321114 /nfs/dbraw/zinc/32/11/14/154321114.db2.gz RGVODXBVJCSCIK-UHFFFAOYSA-N 1 3 334.464 1.383 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326563 304392343 /nfs/dbraw/zinc/39/23/43/304392343.db2.gz KIXIOTJAQLDPFC-HOTGVXAUSA-N 1 3 340.512 1.646 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000417340110 304392449 /nfs/dbraw/zinc/39/24/49/304392449.db2.gz AAXWKRYSSKNAEU-BBWFWOEESA-N 1 3 346.475 1.506 20 0 EDADHO COC(=O)c1ccc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000372368066 156355786 /nfs/dbraw/zinc/35/57/86/156355786.db2.gz IGGVSMXQJFKOMN-HNNXBMFYSA-N 1 3 335.448 1.667 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374629069 157349348 /nfs/dbraw/zinc/34/93/48/157349348.db2.gz HSGNDGMMFSELKB-UAGQMJEPSA-N 1 3 331.460 1.826 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)[C@@H](C[NH3+])C1 ZINC000418181219 304460591 /nfs/dbraw/zinc/46/05/91/304460591.db2.gz LATYDPLQCOYLBM-DDBAPUKQSA-N 1 3 348.491 1.826 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079733289 287302523 /nfs/dbraw/zinc/30/25/23/287302523.db2.gz NSJAXYHNDWBLQP-QZTJIDSGSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079733289 287302525 /nfs/dbraw/zinc/30/25/25/287302525.db2.gz NSJAXYHNDWBLQP-QZTJIDSGSA-N 1 3 344.503 1.943 20 0 EDADHO CC[NH2+]CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418328138 304480809 /nfs/dbraw/zinc/48/08/09/304480809.db2.gz RPXJXXKGQRUDPF-GJZGRUSLSA-N 1 3 326.485 1.127 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000121402408 287370794 /nfs/dbraw/zinc/37/07/94/287370794.db2.gz OVAXWNYBISLDGC-UHFFFAOYSA-N 1 3 348.422 1.233 20 0 EDADHO CNS(=O)(=O)CCCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122118420 222018936 /nfs/dbraw/zinc/01/89/36/222018936.db2.gz AFCKUVSKOQNSIM-UHFFFAOYSA-N 1 3 331.526 1.514 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000131643892 287514210 /nfs/dbraw/zinc/51/42/10/287514210.db2.gz ZDXBBOLWADNCSZ-UHFFFAOYSA-N 1 3 336.412 1.433 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418455684 304497310 /nfs/dbraw/zinc/49/73/10/304497310.db2.gz HBDJLOSQYILTGN-KBPBESRZSA-N 1 3 333.436 1.049 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237065889 273007459 /nfs/dbraw/zinc/00/74/59/273007459.db2.gz DSMIDMWBLXQMRJ-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO [NH3+]C[C@@H]1CCCCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237822749 273013199 /nfs/dbraw/zinc/01/31/99/273013199.db2.gz VWLRKTTUPDNQTK-IBGZPJMESA-N 1 3 344.503 1.929 20 0 EDADHO NC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000238020870 273013710 /nfs/dbraw/zinc/01/37/10/273013710.db2.gz IRXFATYWLJQXCM-GOSISDBHSA-N 1 3 345.487 1.880 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275828795 268375651 /nfs/dbraw/zinc/37/56/51/268375651.db2.gz LHLZSTCUVWNMDD-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO CC(C)N1CCC[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000177843701 272942221 /nfs/dbraw/zinc/94/22/21/272942221.db2.gz HCQMFUKILAZQRS-SFHVURJKSA-N 1 3 337.508 1.963 20 0 EDADHO Cc1nn2c(C[NH2+]CCCN3CCCO[C@@H](C)C3)c(C)nc2s1 ZINC000278034930 273241930 /nfs/dbraw/zinc/24/19/30/273241930.db2.gz XFAJQXGEFMFDLI-LBPRGKRZSA-N 1 3 337.493 1.998 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000283624638 273907885 /nfs/dbraw/zinc/90/78/85/273907885.db2.gz XRJQVUKQOXOBLW-QGZVFWFLSA-N 1 3 348.491 1.206 20 0 EDADHO CC(C)[C@H](C(=O)N[C@H](C)CCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407862 276013502 /nfs/dbraw/zinc/01/35/02/276013502.db2.gz KTTGFVAYQFNHCT-QZTJIDSGSA-N 1 3 338.540 1.639 20 0 EDADHO C[NH2+]CCCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000262659834 277266587 /nfs/dbraw/zinc/26/65/87/277266587.db2.gz WUAWGAIFKZYCRV-SFHVURJKSA-N 1 3 332.492 1.481 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000337655947 277398387 /nfs/dbraw/zinc/39/83/87/277398387.db2.gz NDVLNYOYCICHNE-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000337655947 277398388 /nfs/dbraw/zinc/39/83/88/277398388.db2.gz NDVLNYOYCICHNE-RDJZCZTQSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600965 278344609 /nfs/dbraw/zinc/34/46/09/278344609.db2.gz QUPNLXVJOWRPCH-MRXNPFEDSA-N 1 3 343.479 1.341 20 0 EDADHO CCN(Cc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026418 279234755 /nfs/dbraw/zinc/23/47/55/279234755.db2.gz UOPKFYIFIOAQKA-GOSISDBHSA-N 1 3 331.460 1.861 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000287478785 288246874 /nfs/dbraw/zinc/24/68/74/288246874.db2.gz WSQKQDNCHZTKCK-NVXWUHKLSA-N 1 3 336.480 1.555 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728980 282036379 /nfs/dbraw/zinc/03/63/79/282036379.db2.gz BNBQMMFAJMCLGL-ZWKOTPCHSA-N 1 3 344.503 1.902 20 0 EDADHO CN(C)CCN(C)c1cc(N(C)CC[NH+](C)C)c2ccncc2n1 ZINC000288567225 288516102 /nfs/dbraw/zinc/51/61/02/288516102.db2.gz WQHXZCPMIBJWCD-UHFFFAOYSA-N 1 3 330.480 1.625 20 0 EDADHO C[NH+](C)CCOCCNCc1ccc(I)cc1 ZINC000234256351 289170313 /nfs/dbraw/zinc/17/03/13/289170313.db2.gz TWYOGCXABCHLBN-UHFFFAOYSA-N 1 3 348.228 1.959 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105169855 289186958 /nfs/dbraw/zinc/18/69/58/289186958.db2.gz CTECREHHKZTVAT-MSOLQXFVSA-N 1 3 332.492 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105169977 289206827 /nfs/dbraw/zinc/20/68/27/289206827.db2.gz VOPZZQUCXNXHKQ-SFHVURJKSA-N 1 3 332.492 1.800 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000354851089 294238394 /nfs/dbraw/zinc/23/83/94/294238394.db2.gz IKUQQVJYQDGUMI-VSZNYVQBSA-N 1 3 335.471 1.549 20 0 EDADHO Cn1cc(CN2C[C@H](F)C[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000354851089 294238398 /nfs/dbraw/zinc/23/83/98/294238398.db2.gz IKUQQVJYQDGUMI-VSZNYVQBSA-N 1 3 335.471 1.549 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993483 295240546 /nfs/dbraw/zinc/24/05/46/295240546.db2.gz QHENGELJIBARHF-MSOLQXFVSA-N 1 3 331.460 1.756 20 0 EDADHO Cc1ccc(CN(CCN(C)C)C(=O)NCCC2=CC[NH2+]CC2)o1 ZINC000418602618 304517660 /nfs/dbraw/zinc/51/76/60/304517660.db2.gz NHIRBYGSWREZAZ-UHFFFAOYSA-N 1 3 334.464 1.971 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3F)[C@H](N)C2)CC1 ZINC000420393311 304754979 /nfs/dbraw/zinc/75/49/79/304754979.db2.gz XKTIMRMOMKVCIV-FUHWJXTLSA-N 1 3 348.466 1.153 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000419657608 447325373 /nfs/dbraw/zinc/32/53/73/447325373.db2.gz WQFWDSZFIRETCE-ZBFHGGJFSA-N 1 3 346.475 1.182 20 0 EDADHO CC(C)[NH2+]CCC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000166553536 302938572 /nfs/dbraw/zinc/93/85/72/302938572.db2.gz BRGXMIZJNRCDQM-UHFFFAOYSA-N 1 3 332.492 1.935 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H](C)C[NH+](C)C)CC2)c1 ZINC000293601117 302991023 /nfs/dbraw/zinc/99/10/23/302991023.db2.gz ASYVOFKFGAUKHM-GOSISDBHSA-N 1 3 346.519 1.821 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293833136 303026073 /nfs/dbraw/zinc/02/60/73/303026073.db2.gz GSOIXYNZYOOSLQ-UHFFFAOYSA-N 1 3 346.475 1.475 20 0 EDADHO CC[C@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCOCC1 ZINC000294286870 303086951 /nfs/dbraw/zinc/08/69/51/303086951.db2.gz TVZDKZKRSBEZPI-KRWDZBQOSA-N 1 3 332.448 1.277 20 0 EDADHO COc1cc(CNCCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414860343 447331480 /nfs/dbraw/zinc/33/14/80/447331480.db2.gz CMHJRQOLWPMRPT-UHFFFAOYSA-N 1 3 347.381 1.631 20 0 EDADHO C[C@H](NC[C@@H](O)COc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000422940027 304880713 /nfs/dbraw/zinc/88/07/13/304880713.db2.gz MXBVZFLCJSSFQT-RWMBFGLXSA-N 1 3 343.265 1.776 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985541 304882159 /nfs/dbraw/zinc/88/21/59/304882159.db2.gz FFFLQKOMOLIPMT-XJKSGUPXSA-N 1 3 338.423 1.770 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423739470 304907083 /nfs/dbraw/zinc/90/70/83/304907083.db2.gz FVGMULQQYYRKDL-MTCSXPRVSA-N 1 3 337.508 1.709 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423752355 304908398 /nfs/dbraw/zinc/90/83/98/304908398.db2.gz CBXOXNCITDMRFY-KRWDZBQOSA-N 1 3 347.459 1.468 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[C@H]([NH3+])C2)CC1 ZINC000430638339 305060870 /nfs/dbraw/zinc/06/08/70/305060870.db2.gz FKLDSCIFEKGPNY-SFHVURJKSA-N 1 3 330.476 1.062 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430707820 305063064 /nfs/dbraw/zinc/06/30/64/305063064.db2.gz HOMYMZKAAOJIHL-HZPDHXFCSA-N 1 3 325.497 1.772 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC[C@H]2CCCO2)C1 ZINC000430707820 305063065 /nfs/dbraw/zinc/06/30/65/305063065.db2.gz HOMYMZKAAOJIHL-HZPDHXFCSA-N 1 3 325.497 1.772 20 0 EDADHO COCC[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000430771115 305064587 /nfs/dbraw/zinc/06/45/87/305064587.db2.gz BGNULFIIJCFPAO-AZUAARDMSA-N 1 3 345.487 1.783 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000430773075 305064643 /nfs/dbraw/zinc/06/46/43/305064643.db2.gz PYAUOYFXZVRCFH-YESZJQIVSA-N 1 3 325.497 1.772 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COC2CNC2)CC1 ZINC000430900349 305067320 /nfs/dbraw/zinc/06/73/20/305067320.db2.gz NGMMBLWLLGKQNA-UHFFFAOYSA-N 1 3 331.460 1.345 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)COC2CNC2)CC1 ZINC000430900349 305067321 /nfs/dbraw/zinc/06/73/21/305067321.db2.gz NGMMBLWLLGKQNA-UHFFFAOYSA-N 1 3 331.460 1.345 20 0 EDADHO CC(C)(C[NH3+])C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000431011373 305072783 /nfs/dbraw/zinc/07/27/83/305072783.db2.gz UOYMFRIKYZDAGN-UHFFFAOYSA-N 1 3 332.492 1.295 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC(=O)N2)CC1 ZINC000433188324 305102590 /nfs/dbraw/zinc/10/25/90/305102590.db2.gz QGALBOHCOCQEGX-SFHVURJKSA-N 1 3 344.503 1.977 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388135 305107445 /nfs/dbraw/zinc/10/74/45/305107445.db2.gz LQFIWGNWVUTOEW-HZPDHXFCSA-N 1 3 342.528 1.763 20 0 EDADHO CC(C)N(C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435569184 305142648 /nfs/dbraw/zinc/14/26/48/305142648.db2.gz JDDJEOZKYIBDEO-AWEZNQCLSA-N 1 3 336.505 1.954 20 0 EDADHO COC(=O)CC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CC1 ZINC000440492500 305207839 /nfs/dbraw/zinc/20/78/39/305207839.db2.gz UGPKHBVATBHVSR-UHFFFAOYSA-N 1 3 337.508 1.679 20 0 EDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)[C@@H]1C ZINC000441335858 305221233 /nfs/dbraw/zinc/22/12/33/305221233.db2.gz RCQFHHKTESUYKL-PMPSAXMXSA-N 1 3 325.497 1.580 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444265420 305244990 /nfs/dbraw/zinc/24/49/90/305244990.db2.gz FJHFITKBLKXMSX-QUCCMNQESA-N 1 3 342.487 1.050 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCSC1 ZINC000446289746 305262708 /nfs/dbraw/zinc/26/27/08/305262708.db2.gz SOEMNJGGKXWGKU-OSRSDYAFSA-N 1 3 341.521 1.072 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000414913518 447355339 /nfs/dbraw/zinc/35/53/39/447355339.db2.gz WDBVAEAGCSUVFN-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(CNC)c2)C1 ZINC000414913518 447355345 /nfs/dbraw/zinc/35/53/45/447355345.db2.gz WDBVAEAGCSUVFN-OAHLLOKOSA-N 1 3 332.448 1.145 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000519829902 305776257 /nfs/dbraw/zinc/77/62/57/305776257.db2.gz VITAEBAKXISOCV-UONOGXRCSA-N 1 3 334.464 1.709 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000419705523 447362054 /nfs/dbraw/zinc/36/20/54/447362054.db2.gz ZWHPGBWCUPQLNS-CVEARBPZSA-N 1 3 340.512 1.247 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000377796792 447360810 /nfs/dbraw/zinc/36/08/10/447360810.db2.gz UUKZZKLBUYPKDG-WMZOPIPTSA-N 1 3 344.503 1.935 20 0 EDADHO C[C@H]1C[C@@H](C(=O)NC2CCN(CCc3ccncc3)CC2)CC[N@H+]1C ZINC000377796792 447360815 /nfs/dbraw/zinc/36/08/15/447360815.db2.gz UUKZZKLBUYPKDG-WMZOPIPTSA-N 1 3 344.503 1.935 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ncccc1Br ZINC000530486775 305941516 /nfs/dbraw/zinc/94/15/16/305941516.db2.gz XWLIXOJNYYFWNG-UHFFFAOYSA-N 1 3 343.269 1.410 20 0 EDADHO CCN1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553810 306022235 /nfs/dbraw/zinc/02/22/35/306022235.db2.gz JXFYSBFIQQZAOM-SJORKVTESA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896825 306049433 /nfs/dbraw/zinc/04/94/33/306049433.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 1 3 343.471 1.390 20 0 EDADHO C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000541896825 306049434 /nfs/dbraw/zinc/04/94/34/306049434.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 1 3 343.471 1.390 20 0 EDADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000414947698 447369228 /nfs/dbraw/zinc/36/92/28/447369228.db2.gz LBXJBFDPDNPHFD-WBVHZDCISA-N 1 3 344.459 1.260 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC[C@H]2CCC[NH2+]C2)n1 ZINC000415112654 447390451 /nfs/dbraw/zinc/39/04/51/447390451.db2.gz VSBRKUCPOCAOFT-KKUMJFAQSA-N 1 3 336.459 1.049 20 0 EDADHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]2CCCNC2)n1 ZINC000415112654 447390453 /nfs/dbraw/zinc/39/04/53/447390453.db2.gz VSBRKUCPOCAOFT-KKUMJFAQSA-N 1 3 336.459 1.049 20 0 EDADHO CC(C)[N@H+]1C[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000378123580 447402336 /nfs/dbraw/zinc/40/23/36/447402336.db2.gz ZLVZADDVLKMCIW-WMZOPIPTSA-N 1 3 347.507 1.828 20 0 EDADHO CC(C)[N@@H+]1C[C@H](NC(=O)c2cnn(CCN3CCCCC3)c2)[C@@H](C)C1 ZINC000378123580 447402341 /nfs/dbraw/zinc/40/23/41/447402341.db2.gz ZLVZADDVLKMCIW-WMZOPIPTSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538496 447404617 /nfs/dbraw/zinc/40/46/17/447404617.db2.gz AABBWWFAQTTWOA-DSLXNQLJSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CN1Cc1ccccc1 ZINC000458538496 447404623 /nfs/dbraw/zinc/40/46/23/447404623.db2.gz AABBWWFAQTTWOA-DSLXNQLJSA-N 1 3 342.487 1.995 20 0 EDADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)N1CCC[C@@H](C)C1 ZINC000419806240 447425117 /nfs/dbraw/zinc/42/51/17/447425117.db2.gz RCZDFCAKKYGEKU-HUUCEWRRSA-N 1 3 338.496 1.001 20 0 EDADHO CCC[C@@H](O)[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811126 447427583 /nfs/dbraw/zinc/42/75/83/447427583.db2.gz HGBWMYIGRFVFKL-UYAOXDASSA-N 1 3 349.519 1.829 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000494453418 447437914 /nfs/dbraw/zinc/43/79/14/447437914.db2.gz KYGXDTDNUAQACC-OTWHNJEPSA-N 1 3 341.540 1.824 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000494453418 447437920 /nfs/dbraw/zinc/43/79/20/447437920.db2.gz KYGXDTDNUAQACC-OTWHNJEPSA-N 1 3 341.540 1.824 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105801 441235003 /nfs/dbraw/zinc/23/50/03/441235003.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N1CCN(C)CC1 ZINC000105105801 441235009 /nfs/dbraw/zinc/23/50/09/441235009.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 1 3 339.528 1.040 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000112436537 441548135 /nfs/dbraw/zinc/54/81/35/441548135.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000112436537 441548139 /nfs/dbraw/zinc/54/81/39/441548139.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 1 3 341.544 1.290 20 0 EDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CCOC)CC1 ZINC000113604595 441618023 /nfs/dbraw/zinc/61/80/23/441618023.db2.gz ATMOXBXXCSESGI-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(CCOC)CC1 ZINC000113604595 441618027 /nfs/dbraw/zinc/61/80/27/441618027.db2.gz ATMOXBXXCSESGI-KRWDZBQOSA-N 1 3 340.512 1.661 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC2CCN(CCOC)CC2)CC1 ZINC000173398946 441734959 /nfs/dbraw/zinc/73/49/59/441734959.db2.gz CYJZIJJXFQMLLM-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068127265 441739150 /nfs/dbraw/zinc/73/91/50/441739150.db2.gz WUKKXDVDFGEVIQ-IAGOWNOFSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000068127265 441739157 /nfs/dbraw/zinc/73/91/57/441739157.db2.gz WUKKXDVDFGEVIQ-IAGOWNOFSA-N 1 3 331.460 1.984 20 0 EDADHO COc1cc(F)cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000091922444 441752867 /nfs/dbraw/zinc/75/28/67/441752867.db2.gz SYHOGWJOYYBMMO-UHFFFAOYSA-N 1 3 340.443 1.469 20 0 EDADHO CCN1CCN(CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277481 441768288 /nfs/dbraw/zinc/76/82/88/441768288.db2.gz UIHOLANFPWRUEW-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000173617287 441805032 /nfs/dbraw/zinc/80/50/32/441805032.db2.gz OEWRVAOWTKTNTQ-AWEZNQCLSA-N 1 3 338.496 1.996 20 0 EDADHO C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N(C)C1CC1 ZINC000077593417 441811224 /nfs/dbraw/zinc/81/12/24/441811224.db2.gz YARFJHHFMXRIPA-HUUCEWRRSA-N 1 3 338.496 1.269 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000122172116 441837943 /nfs/dbraw/zinc/83/79/43/441837943.db2.gz AYVCQFCDPRCHHL-UHFFFAOYSA-N 1 3 334.464 1.391 20 0 EDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159900 442184373 /nfs/dbraw/zinc/18/43/73/442184373.db2.gz IBHHMRJLLXQRQL-GJZGRUSLSA-N 1 3 339.505 1.929 20 0 EDADHO COc1cccc(COC[C@@H](O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177058776 442291062 /nfs/dbraw/zinc/29/10/62/442291062.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 1 3 336.476 1.987 20 0 EDADHO COc1cccc(COC[C@@H](O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177058776 442291066 /nfs/dbraw/zinc/29/10/66/442291066.db2.gz AWIUYUNJLWNMMH-NXHRZFHOSA-N 1 3 336.476 1.987 20 0 EDADHO CCN1CCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130645331 442352683 /nfs/dbraw/zinc/35/26/83/442352683.db2.gz MYVLLSJVOGNNLQ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)[C@@H](C)N1Cc2cccc(NC(=O)C(=O)NCC[NH+](C)C)c2C1 ZINC000172301413 442439187 /nfs/dbraw/zinc/43/91/87/442439187.db2.gz CDBYEADKQNLFHP-CQSZACIVSA-N 1 3 346.475 1.663 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000178992354 442546778 /nfs/dbraw/zinc/54/67/78/442546778.db2.gz WUZNPMISVRHKSD-MRXNPFEDSA-N 1 3 330.476 1.510 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000179853911 442512052 /nfs/dbraw/zinc/51/20/52/442512052.db2.gz DFMXFLUSADOOCX-MAUKXSAKSA-N 1 3 333.476 1.108 20 0 EDADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000186724635 442601417 /nfs/dbraw/zinc/60/14/17/442601417.db2.gz DQKHTYMNIISSRE-PKOBYXMFSA-N 1 3 344.503 1.703 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179062148 442563513 /nfs/dbraw/zinc/56/35/13/442563513.db2.gz SWNAJTMSUHREQJ-GOSISDBHSA-N 1 3 330.476 1.409 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000173279094 442639716 /nfs/dbraw/zinc/63/97/16/442639716.db2.gz DVPWEVYSCGPWTK-UHFFFAOYSA-N 1 3 332.492 1.642 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000193690024 442767343 /nfs/dbraw/zinc/76/73/43/442767343.db2.gz KYSCZHHLEIFQJH-QGZVFWFLSA-N 1 3 346.475 1.208 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)C[C@H]1[NH+](C)C ZINC000268244500 442915728 /nfs/dbraw/zinc/91/57/28/442915728.db2.gz RTDTYJAJEGHJNS-BPQIPLTHSA-N 1 3 332.492 1.751 20 0 EDADHO CC[C@@H]1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCO1 ZINC000183530965 442938189 /nfs/dbraw/zinc/93/81/89/442938189.db2.gz VZWOHGNPJVZFSE-MAUKXSAKSA-N 1 3 337.508 1.866 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000237203089 443163437 /nfs/dbraw/zinc/16/34/37/443163437.db2.gz HDCZNDHRXDXDLB-QUCCMNQESA-N 1 3 344.503 1.481 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573313 443221314 /nfs/dbraw/zinc/22/13/14/443221314.db2.gz XETFUODNONVKAP-QGZVFWFLSA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000269109470 443200785 /nfs/dbraw/zinc/20/07/85/443200785.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000269109470 443200788 /nfs/dbraw/zinc/20/07/88/443200788.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 1 3 330.476 1.998 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000185473107 443204687 /nfs/dbraw/zinc/20/46/87/443204687.db2.gz DBTLKEKPVQSADS-INIZCTEOSA-N 1 3 339.528 1.184 20 0 EDADHO O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1CN1CCCCC1 ZINC000262853049 443214975 /nfs/dbraw/zinc/21/49/75/443214975.db2.gz VOIQJFKKWAIZQC-SJORKVTESA-N 1 3 345.491 1.898 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397590106 319135793 /nfs/dbraw/zinc/13/57/93/319135793.db2.gz LVZJNQMPAOSOIU-HKUYNNGSSA-N 1 3 347.503 1.370 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)CC1 ZINC000411769237 319202211 /nfs/dbraw/zinc/20/22/11/319202211.db2.gz IMPRSCMGDOJLPN-KRWDZBQOSA-N 1 3 325.497 1.364 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000414693086 319343452 /nfs/dbraw/zinc/34/34/52/319343452.db2.gz BSUGQOASYKUWTJ-UONOGXRCSA-N 1 3 332.448 1.635 20 0 EDADHO COCCOc1cccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415130070 319347295 /nfs/dbraw/zinc/34/72/95/319347295.db2.gz QEFUJDIDGYQLQF-KRWDZBQOSA-N 1 3 345.447 1.599 20 0 EDADHO C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415229256 319354185 /nfs/dbraw/zinc/35/41/85/319354185.db2.gz LUMPARXKDKVOKG-XJKSGUPXSA-N 1 3 330.432 1.169 20 0 EDADHO C[NH+](C)CCOc1ccc(CCN[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000264369406 443265809 /nfs/dbraw/zinc/26/58/09/443265809.db2.gz LFRGSOMZHVVKIZ-LJQANCHMSA-N 1 3 341.455 1.986 20 0 EDADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416833697 319465399 /nfs/dbraw/zinc/46/53/99/319465399.db2.gz CSQUWZQGAXPHDY-ZNMIVQPWSA-N 1 3 334.489 1.746 20 0 EDADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)N(C)C)cc1 ZINC000416838387 319465908 /nfs/dbraw/zinc/46/59/08/319465908.db2.gz JBZSMFIJJNYHMK-ROUUACIJSA-N 1 3 348.491 1.529 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000416851889 319466760 /nfs/dbraw/zinc/46/67/60/319466760.db2.gz RWVGDEULTAHEDJ-SFHVURJKSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000423762558 319812216 /nfs/dbraw/zinc/81/22/16/319812216.db2.gz SRUCRCMZWHNDQH-DLBZAZTESA-N 1 3 332.492 1.998 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000267764393 443570060 /nfs/dbraw/zinc/57/00/60/443570060.db2.gz KIKPRKWHGKVFPA-QGZVFWFLSA-N 1 3 344.459 1.036 20 0 EDADHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458858229 320343449 /nfs/dbraw/zinc/34/34/49/320343449.db2.gz TVSGWMOZFSKLRF-IAGOWNOFSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000488157980 320357617 /nfs/dbraw/zinc/35/76/17/320357617.db2.gz FXEBUPUGQXVELS-HDMKZQKVSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NC2CCN(C3CC3)CC2)C[C@@H](C)C1 ZINC000488157980 320357618 /nfs/dbraw/zinc/35/76/18/320357618.db2.gz FXEBUPUGQXVELS-HDMKZQKVSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@H]1C[NH+](CCCCNC(=O)c2conc2C(C)(C)N)C[C@H](C)O1 ZINC000516783980 320441412 /nfs/dbraw/zinc/44/14/12/320441412.db2.gz HJZDXBPPGHIGNH-STQMWFEESA-N 1 3 338.452 1.488 20 0 EDADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290972815 443723971 /nfs/dbraw/zinc/72/39/71/443723971.db2.gz XPUVZJIAQMTGJO-JKSUJKDBSA-N 1 3 329.448 1.815 20 0 EDADHO CN(CCCN(C)CC(=O)N(C)Cc1cccs1)CC[NH+](C)C ZINC000298343266 443750411 /nfs/dbraw/zinc/75/04/11/443750411.db2.gz BLNVAUJFGNXHBU-UHFFFAOYSA-N 1 3 340.537 1.522 20 0 EDADHO CNC(=O)C[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000298714182 443846547 /nfs/dbraw/zinc/84/65/47/443846547.db2.gz WJCGFYXPGPRSQD-SFHVURJKSA-N 1 3 346.519 1.699 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccn2)s1 ZINC000530881365 320642282 /nfs/dbraw/zinc/64/22/82/320642282.db2.gz ZFLGWNNOUSNWGA-UHFFFAOYSA-N 1 3 347.488 1.771 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000530895396 320642538 /nfs/dbraw/zinc/64/25/38/320642538.db2.gz IEJWMLOQQLECLB-HOCLYGCPSA-N 1 3 326.510 1.303 20 0 EDADHO Cc1nccn1CC[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000285255549 443914270 /nfs/dbraw/zinc/91/42/70/443914270.db2.gz AXBSCBYZHYTTQD-UHFFFAOYSA-N 1 3 341.503 1.941 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccn1 ZINC000277379720 443971283 /nfs/dbraw/zinc/97/12/83/443971283.db2.gz WELSOADYCLHDHW-MRXNPFEDSA-N 1 3 334.464 1.578 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032030 /nfs/dbraw/zinc/03/20/30/444032030.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 1 3 332.492 1.556 20 0 EDADHO C[C@@H]1CN(CCN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000281885415 444032032 /nfs/dbraw/zinc/03/20/32/444032032.db2.gz ANEXMWPTRWFXNR-IEBWSBKVSA-N 1 3 332.492 1.556 20 0 EDADHO CCN(CC)CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000299535967 444072187 /nfs/dbraw/zinc/07/21/87/444072187.db2.gz HVKHRWPQDUKUBM-UHFFFAOYSA-N 1 3 333.480 1.052 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000293590773 444063025 /nfs/dbraw/zinc/06/30/25/444063025.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 1 3 348.487 1.643 20 0 EDADHO COCCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC000293590773 444063029 /nfs/dbraw/zinc/06/30/29/444063029.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 1 3 348.487 1.643 20 0 EDADHO COc1c(O)cccc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000563370181 321106259 /nfs/dbraw/zinc/10/62/59/321106259.db2.gz STGXTANVRDTXAF-UHFFFAOYSA-N 1 3 349.475 1.287 20 0 EDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824069 321150166 /nfs/dbraw/zinc/15/01/66/321150166.db2.gz SUSTWGKRGNYOJX-IAGOWNOFSA-N 1 3 345.491 1.370 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)CC1 ZINC000566190322 321221865 /nfs/dbraw/zinc/22/18/65/321221865.db2.gz PLDZYWIPMZGCLK-IAGOWNOFSA-N 1 3 334.508 1.003 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CCOC3)CC2)CC1 ZINC000566441882 321231103 /nfs/dbraw/zinc/23/11/03/321231103.db2.gz LNAJXSBIINHZSB-MRXNPFEDSA-N 1 3 337.508 1.678 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H]3CO)CC2)CC1 ZINC000568205264 321280955 /nfs/dbraw/zinc/28/09/55/321280955.db2.gz IYWOGRHLFFQNEO-QAPCUYQASA-N 1 3 337.508 1.412 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288197 321286126 /nfs/dbraw/zinc/28/61/26/321286126.db2.gz XBUSLUJPFYPAGM-RBUKOAKNSA-N 1 3 344.503 1.944 20 0 EDADHO CC[NH2+]CCCNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000570563767 321347656 /nfs/dbraw/zinc/34/76/56/321347656.db2.gz ZBIIFLXYJLFPOX-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708586 321354926 /nfs/dbraw/zinc/35/49/26/321354926.db2.gz BOGZAYCRLVZVGS-KSZLIROESA-N 1 3 339.524 1.611 20 0 EDADHO COc1nccc(CNCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000571273075 321382214 /nfs/dbraw/zinc/38/22/14/321382214.db2.gz QDWJJXXTZYYKIF-UHFFFAOYSA-N 1 3 333.480 1.525 20 0 EDADHO COc1nccc(CNCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000571273075 321382215 /nfs/dbraw/zinc/38/22/15/321382215.db2.gz QDWJJXXTZYYKIF-UHFFFAOYSA-N 1 3 333.480 1.525 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)c3cnn(C)c3)CC2)CC1 ZINC000571548015 321391151 /nfs/dbraw/zinc/39/11/51/321391151.db2.gz GHOIGBDVSGMDQZ-HNNXBMFYSA-N 1 3 347.507 1.794 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153699 444108201 /nfs/dbraw/zinc/10/82/01/444108201.db2.gz OPRBNUUGZLNWGB-QGZVFWFLSA-N 1 3 348.491 1.031 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153699 444108204 /nfs/dbraw/zinc/10/82/04/444108204.db2.gz OPRBNUUGZLNWGB-QGZVFWFLSA-N 1 3 348.491 1.031 20 0 EDADHO O=S(=O)(NC1CCN(CC[C@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000572138633 321417592 /nfs/dbraw/zinc/41/75/92/321417592.db2.gz GFHCMWWMVIJOBO-CYBMUJFWSA-N 1 3 343.518 1.490 20 0 EDADHO CO[C@](C)([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000572223113 321421231 /nfs/dbraw/zinc/42/12/31/321421231.db2.gz DCBNZEFURRKQEL-WMLDXEAASA-N 1 3 328.501 1.325 20 0 EDADHO CN(C)CCN(C)CCC[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000289420159 444138359 /nfs/dbraw/zinc/13/83/59/444138359.db2.gz MPSIEYWYWIYTTE-LJQANCHMSA-N 1 3 337.508 1.379 20 0 EDADHO CN(C)CCN(C)CCC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000289420159 444138363 /nfs/dbraw/zinc/13/83/63/444138363.db2.gz MPSIEYWYWIYTTE-LJQANCHMSA-N 1 3 337.508 1.379 20 0 EDADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1cccnc1 ZINC000289464622 444151684 /nfs/dbraw/zinc/15/16/84/444151684.db2.gz OTXFRHKYXBGIKH-UHFFFAOYSA-N 1 3 342.491 1.930 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C[NH3+])OC)c1cccc(OC)c1 ZINC000278238094 444121602 /nfs/dbraw/zinc/12/16/02/444121602.db2.gz KXAXSGFATOZLEW-DLBZAZTESA-N 1 3 337.464 1.558 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000289924925 444220008 /nfs/dbraw/zinc/22/00/08/444220008.db2.gz NYLMQMCJMUCFLC-INIZCTEOSA-N 1 3 348.447 1.048 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000289924925 444220009 /nfs/dbraw/zinc/22/00/09/444220009.db2.gz NYLMQMCJMUCFLC-INIZCTEOSA-N 1 3 348.447 1.048 20 0 EDADHO C[C@H](NC(=O)NC[C@H](O)CN1CCC(C)CC1)C(C)(C)C[NH+](C)C ZINC000304893329 444254162 /nfs/dbraw/zinc/25/41/62/444254162.db2.gz ROLBMHNLKHBEHP-HOTGVXAUSA-N 1 3 342.528 1.355 20 0 EDADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000305144220 444260789 /nfs/dbraw/zinc/26/07/89/444260789.db2.gz XOOYFYLBRAUFLS-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)N1CCCCCC1 ZINC000305144220 444260790 /nfs/dbraw/zinc/26/07/90/444260790.db2.gz XOOYFYLBRAUFLS-SJORKVTESA-N 1 3 325.497 1.604 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000290067652 444237825 /nfs/dbraw/zinc/23/78/25/444237825.db2.gz VWOJVOGEVCVEBR-UKRRQHHQSA-N 1 3 335.448 1.513 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000290067643 444238024 /nfs/dbraw/zinc/23/80/24/444238024.db2.gz VWOJVOGEVCVEBR-DZGCQCFKSA-N 1 3 335.448 1.513 20 0 EDADHO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759467 444319962 /nfs/dbraw/zinc/31/99/62/444319962.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 1 3 334.508 1.507 20 0 EDADHO C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759467 444319963 /nfs/dbraw/zinc/31/99/63/444319963.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 1 3 334.508 1.507 20 0 EDADHO C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000290759467 444319965 /nfs/dbraw/zinc/31/99/65/444319965.db2.gz ZOIYNCQQGPNSJV-KRWDZBQOSA-N 1 3 334.508 1.507 20 0 EDADHO C[C@H](NC(=O)COC1(C)CNC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426395 444291783 /nfs/dbraw/zinc/29/17/83/444291783.db2.gz PDONYXNHBNXGQC-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H](NC(=O)COC1(C)CNC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310426395 444291786 /nfs/dbraw/zinc/29/17/86/444291786.db2.gz PDONYXNHBNXGQC-DOTOQJQBSA-N 1 3 331.460 1.392 20 0 EDADHO CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1CCN(C)CC1 ZINC000327069107 444380258 /nfs/dbraw/zinc/38/02/58/444380258.db2.gz KUASLJDWUFOLMP-RBUKOAKNSA-N 1 3 344.503 1.262 20 0 EDADHO CC(C)(C(=O)NC[C@H](c1ccccc1)N1CCCC1)N1CC[NH2+]CC1 ZINC000327224088 444380940 /nfs/dbraw/zinc/38/09/40/444380940.db2.gz QMRCQLPJQICFSL-GOSISDBHSA-N 1 3 344.503 1.624 20 0 EDADHO CN(C)CCn1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000579975910 321994860 /nfs/dbraw/zinc/99/48/60/321994860.db2.gz BASLMKPCJGKWCJ-UHFFFAOYSA-N 1 3 333.480 1.582 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132432 322139976 /nfs/dbraw/zinc/13/99/76/322139976.db2.gz IOFWCICKXQTDCQ-QUCCMNQESA-N 1 3 344.503 1.481 20 0 EDADHO [NH3+][C@H](C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CCC1 ZINC000581188062 322146941 /nfs/dbraw/zinc/14/69/41/322146941.db2.gz NLTDRVWNQZBYIF-IBGZPJMESA-N 1 3 344.503 1.438 20 0 EDADHO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000581304661 322161244 /nfs/dbraw/zinc/16/12/44/322161244.db2.gz WINVWPIWROPICU-KBPBESRZSA-N 1 3 343.518 1.490 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN(C)CC1 ZINC000332304914 444509659 /nfs/dbraw/zinc/50/96/59/444509659.db2.gz LPSRFCOODCPOJD-ZNMIVQPWSA-N 1 3 340.537 1.583 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)cc1C ZINC000338085802 444512100 /nfs/dbraw/zinc/51/21/00/444512100.db2.gz CTTPTEVQOOEYLM-QGZVFWFLSA-N 1 3 335.496 1.374 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1nc(C)cc1C ZINC000338085802 444512102 /nfs/dbraw/zinc/51/21/02/444512102.db2.gz CTTPTEVQOOEYLM-QGZVFWFLSA-N 1 3 335.496 1.374 20 0 EDADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)C[C@H]1CCCO1)C(C)C ZINC000340881983 444556511 /nfs/dbraw/zinc/55/65/11/444556511.db2.gz CNOBCYGUTRLZRJ-QGZVFWFLSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765730 444575108 /nfs/dbraw/zinc/57/51/08/444575108.db2.gz IUPGFDBPJMXSHL-NLYLCNNHSA-N 1 3 335.492 1.284 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000341000322 444624036 /nfs/dbraw/zinc/62/40/36/444624036.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000341000322 444624040 /nfs/dbraw/zinc/62/40/40/444624040.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 1 3 345.487 1.736 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894621 444651660 /nfs/dbraw/zinc/65/16/60/444651660.db2.gz VEGKGVVATJPCFD-JKSUJKDBSA-N 1 3 339.480 1.252 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000341056893 444656032 /nfs/dbraw/zinc/65/60/32/444656032.db2.gz SISJSKUNSCAHNS-HNNXBMFYSA-N 1 3 332.492 1.725 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCCS3)CC2)CC1 ZINC000341057740 444657321 /nfs/dbraw/zinc/65/73/21/444657321.db2.gz DFWDMNAQOCGGBY-MRXNPFEDSA-N 1 3 325.522 1.947 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343876985 444640494 /nfs/dbraw/zinc/64/04/94/444640494.db2.gz WQQSEFCLCCANKM-ZACQAIPSSA-N 1 3 327.513 1.120 20 0 EDADHO CCN1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)[C@@H](C)C1 ZINC000343987067 444711385 /nfs/dbraw/zinc/71/13/85/444711385.db2.gz SDFIJPYTYRHNCF-HKUYNNGSSA-N 1 3 331.508 1.524 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425609 444686536 /nfs/dbraw/zinc/68/65/36/444686536.db2.gz PHSFEJUFKSNMBM-KXBFYZLASA-N 1 3 345.487 1.457 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000342425609 444686539 /nfs/dbraw/zinc/68/65/39/444686539.db2.gz PHSFEJUFKSNMBM-KXBFYZLASA-N 1 3 345.487 1.457 20 0 EDADHO C[C@H](C(=O)NC1CCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344034561 444741812 /nfs/dbraw/zinc/74/18/12/444741812.db2.gz HCECFJPCNCKVBE-MRXNPFEDSA-N 1 3 326.529 1.639 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000344039050 444744860 /nfs/dbraw/zinc/74/48/60/444744860.db2.gz AVJRVTUSPUPULA-BZSNNMDCSA-N 1 3 347.459 1.026 20 0 EDADHO C[C@H](CNC(=O)CCCN1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000341289092 444763561 /nfs/dbraw/zinc/76/35/61/444763561.db2.gz OQLKIYWXSUMTMH-GOSISDBHSA-N 1 3 346.519 1.903 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000344074625 444767497 /nfs/dbraw/zinc/76/74/97/444767497.db2.gz ZXJJJTZCWJZASP-IBGZPJMESA-N 1 3 344.503 1.899 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342693714 444818631 /nfs/dbraw/zinc/81/86/31/444818631.db2.gz MSBOJHKRMGJOJK-QGZVFWFLSA-N 1 3 347.459 1.569 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(C(N)=O)c1 ZINC000344117690 444790330 /nfs/dbraw/zinc/79/03/30/444790330.db2.gz BSYLYQDVACQIQT-UHFFFAOYSA-N 1 3 332.492 1.635 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(C(N)=O)c1 ZINC000344117690 444790334 /nfs/dbraw/zinc/79/03/34/444790334.db2.gz BSYLYQDVACQIQT-UHFFFAOYSA-N 1 3 332.492 1.635 20 0 EDADHO CCN1C[C@H](C)[C@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000344204916 444838568 /nfs/dbraw/zinc/83/85/68/444838568.db2.gz BHLAQWRVHRKRBE-ZWKOTPCHSA-N 1 3 346.523 1.309 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338834898 444879077 /nfs/dbraw/zinc/87/90/77/444879077.db2.gz PKXYGRHINUDABG-OAHLLOKOSA-N 1 3 337.508 1.412 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000337320529 445031751 /nfs/dbraw/zinc/03/17/51/445031751.db2.gz PEYLTSWAINDHOK-BZSNNMDCSA-N 1 3 327.513 1.434 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000337320529 445031755 /nfs/dbraw/zinc/03/17/55/445031755.db2.gz PEYLTSWAINDHOK-BZSNNMDCSA-N 1 3 327.513 1.434 20 0 EDADHO NC(=O)C[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1CC(N)=O ZINC000339137993 445052072 /nfs/dbraw/zinc/05/20/72/445052072.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 1 3 336.480 1.002 20 0 EDADHO NC(=O)C[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1CC(N)=O ZINC000339137993 445052075 /nfs/dbraw/zinc/05/20/75/445052075.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 1 3 336.480 1.002 20 0 EDADHO NC(=O)C[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052082 /nfs/dbraw/zinc/05/20/82/445052082.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 1 3 336.480 1.002 20 0 EDADHO NC(=O)C[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052085 /nfs/dbraw/zinc/05/20/85/445052085.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 1 3 336.480 1.002 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000343087958 445052713 /nfs/dbraw/zinc/05/27/13/445052713.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 1 3 331.460 1.067 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000343087958 445052717 /nfs/dbraw/zinc/05/27/17/445052717.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 1 3 331.460 1.067 20 0 EDADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)CC(N)=O)CC2)c1 ZINC000341886659 445053119 /nfs/dbraw/zinc/05/31/19/445053119.db2.gz CAGCPLBWWYGDTN-QGZVFWFLSA-N 1 3 332.492 1.751 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385049 445058073 /nfs/dbraw/zinc/05/80/73/445058073.db2.gz FKATYOBOPJKNLB-SZVBFZGTSA-N 1 3 348.491 1.434 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000341906899 445064633 /nfs/dbraw/zinc/06/46/33/445064633.db2.gz YKYFRDQPYMFLPU-GPMSIDNRSA-N 1 3 345.487 1.977 20 0 EDADHO CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000343177389 445118261 /nfs/dbraw/zinc/11/82/61/445118261.db2.gz KCFBQWAGEKAOJC-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO CCN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000343251234 445161957 /nfs/dbraw/zinc/16/19/57/445161957.db2.gz MDHCTNAXKAOSIL-OTWHNJEPSA-N 1 3 338.540 1.151 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000343220412 445146487 /nfs/dbraw/zinc/14/64/87/445146487.db2.gz SDRNCIDOKMXYMK-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO CCN(CC)CC(=O)N1[C@H](C)CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000337593602 445156461 /nfs/dbraw/zinc/15/64/61/445156461.db2.gz JGQPJOARQAYUJB-HZPDHXFCSA-N 1 3 340.512 1.118 20 0 EDADHO CCN(CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC000337593602 445156464 /nfs/dbraw/zinc/15/64/64/445156464.db2.gz JGQPJOARQAYUJB-HZPDHXFCSA-N 1 3 340.512 1.118 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193154 445233858 /nfs/dbraw/zinc/23/38/58/445233858.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193154 445233859 /nfs/dbraw/zinc/23/38/59/445233859.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000351625805 445246866 /nfs/dbraw/zinc/24/68/66/445246866.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000351625805 445246867 /nfs/dbraw/zinc/24/68/67/445246867.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246871 /nfs/dbraw/zinc/24/68/71/445246871.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 1 3 349.523 1.190 20 0 EDADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246872 /nfs/dbraw/zinc/24/68/72/445246872.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 1 3 349.523 1.190 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362520454 445421637 /nfs/dbraw/zinc/42/16/37/445421637.db2.gz QADCCTQBHHMEIK-UHFFFAOYSA-N 1 3 339.480 1.110 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000359721016 445392084 /nfs/dbraw/zinc/39/20/84/445392084.db2.gz IMKUSBBLJQABCN-OAHLLOKOSA-N 1 3 349.479 1.115 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000352073619 445473509 /nfs/dbraw/zinc/47/35/09/445473509.db2.gz HTBOWDSBQISTOP-OAHLLOKOSA-N 1 3 326.485 1.294 20 0 EDADHO CC[C@@H](CNC(=O)CCOC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000349007918 445473791 /nfs/dbraw/zinc/47/37/91/445473791.db2.gz VQXKONSHFGKIER-KRWDZBQOSA-N 1 3 331.460 1.318 20 0 EDADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000354959133 445436303 /nfs/dbraw/zinc/43/63/03/445436303.db2.gz NSUAKHGPRDGZPM-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H](CNC(=O)NCC1(O)CCN(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000354959133 445436307 /nfs/dbraw/zinc/43/63/07/445436307.db2.gz NSUAKHGPRDGZPM-CABCVRRESA-N 1 3 326.485 1.005 20 0 EDADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000349061990 445492315 /nfs/dbraw/zinc/49/23/15/445492315.db2.gz ZOOVWQWTQHSDNR-SFHVURJKSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000349075017 445494975 /nfs/dbraw/zinc/49/49/75/445494975.db2.gz NVMXUGNQDKPHQM-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000349075017 445494978 /nfs/dbraw/zinc/49/49/78/445494978.db2.gz NVMXUGNQDKPHQM-UHFFFAOYSA-N 1 3 342.491 1.725 20 0 EDADHO C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000358531468 445636919 /nfs/dbraw/zinc/63/69/19/445636919.db2.gz SPJMXHYSOMXFEI-OIISXLGYSA-N 1 3 333.480 1.666 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000357972052 445597090 /nfs/dbraw/zinc/59/70/90/445597090.db2.gz HTBYFDWVXJUIPB-UHFFFAOYSA-N 1 3 340.512 1.167 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000356238049 445692193 /nfs/dbraw/zinc/69/21/93/445692193.db2.gz SDQVBMILLZFBAA-KRWDZBQOSA-N 1 3 342.528 1.717 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000349833343 445692912 /nfs/dbraw/zinc/69/29/12/445692912.db2.gz KXAJIOPALLZQJT-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358678498 445711254 /nfs/dbraw/zinc/71/12/54/445711254.db2.gz GVIBWGFWXDEPEM-IBGZPJMESA-N 1 3 348.491 1.394 20 0 EDADHO Cn1cnc2c1CCN(CCCCC[N@@H+]1CCc3c(ncn3C)C1)C2 ZINC000363507574 445836783 /nfs/dbraw/zinc/83/67/83/445836783.db2.gz YIQVYJLHPGUUIZ-UHFFFAOYSA-N 1 3 342.491 1.740 20 0 EDADHO Cn1cnc2c1CCN(CCCCC[N@H+]1CCc3c(ncn3C)C1)C2 ZINC000363507574 445836786 /nfs/dbraw/zinc/83/67/86/445836786.db2.gz YIQVYJLHPGUUIZ-UHFFFAOYSA-N 1 3 342.491 1.740 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350627009 445862297 /nfs/dbraw/zinc/86/22/97/445862297.db2.gz PSPCRAUVWRDUMD-HNNXBMFYSA-N 1 3 340.512 1.022 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000350749796 445896510 /nfs/dbraw/zinc/89/65/10/445896510.db2.gz VZWPZFIFVNTVCL-OAHLLOKOSA-N 1 3 328.501 1.469 20 0 EDADHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000369198705 445988561 /nfs/dbraw/zinc/98/85/61/445988561.db2.gz YXEUOFVJFJTAOJ-ROUUACIJSA-N 1 3 345.491 1.639 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021730 /nfs/dbraw/zinc/02/17/30/446021730.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 1 3 336.524 1.534 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)CC(=O)NC2CCN(C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021733 /nfs/dbraw/zinc/02/17/33/446021733.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 1 3 336.524 1.534 20 0 EDADHO CN(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369275337 446041489 /nfs/dbraw/zinc/04/14/89/446041489.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 1 3 344.503 1.574 20 0 EDADHO CN(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000369275337 446041493 /nfs/dbraw/zinc/04/14/93/446041493.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 1 3 344.503 1.574 20 0 EDADHO CN(C)[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000369275337 446041495 /nfs/dbraw/zinc/04/14/95/446041495.db2.gz ALLXSBPJJBESCE-HKUYNNGSSA-N 1 3 344.503 1.574 20 0 EDADHO COc1cc(C)c(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000359221440 446051457 /nfs/dbraw/zinc/05/14/57/446051457.db2.gz GQMNJUZPRDUCNR-UHFFFAOYSA-N 1 3 348.491 1.597 20 0 EDADHO COC[C@@]1(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)CCC[NH2+]1 ZINC000583945667 326171885 /nfs/dbraw/zinc/17/18/85/326171885.db2.gz CHGQDLFTULQSJB-RDJZCZTQSA-N 1 3 326.485 1.175 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)C1 ZINC000359257054 446092499 /nfs/dbraw/zinc/09/24/99/446092499.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)[C@H](C)CC)C1 ZINC000359257054 446092504 /nfs/dbraw/zinc/09/25/04/446092504.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564588 446162550 /nfs/dbraw/zinc/16/25/50/446162550.db2.gz SVPLBUKYORFVKB-GDBMZVCRSA-N 1 3 337.489 1.605 20 0 EDADHO CC(C)[C@@H](C(=O)N[C@H](C)CCN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407861 446184347 /nfs/dbraw/zinc/18/43/47/446184347.db2.gz KTTGFVAYQFNHCT-MSOLQXFVSA-N 1 3 338.540 1.639 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359423515 446215589 /nfs/dbraw/zinc/21/55/89/446215589.db2.gz LMPQVNJDXBFWBV-ROUUACIJSA-N 1 3 342.487 1.267 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000365557269 446254040 /nfs/dbraw/zinc/25/40/40/446254040.db2.gz NTKRYDXYKZETAT-GFCCVEGCSA-N 1 3 328.420 1.649 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564101 446255976 /nfs/dbraw/zinc/25/59/76/446255976.db2.gz DUPXOGHKCWAOMJ-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1(N2CCOCC2)CCCC1 ZINC000365564101 446255981 /nfs/dbraw/zinc/25/59/81/446255981.db2.gz DUPXOGHKCWAOMJ-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000366563716 446263470 /nfs/dbraw/zinc/26/34/70/446263470.db2.gz FCVPMGXSBBWIKC-IEBWSBKVSA-N 1 3 342.487 1.653 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302828 /nfs/dbraw/zinc/30/28/28/446302828.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302833 /nfs/dbraw/zinc/30/28/33/446302833.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 1 3 338.496 1.413 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000365713121 446311471 /nfs/dbraw/zinc/31/14/71/446311471.db2.gz QPGWTHAFRWRPCW-UKPHBRMFSA-N 1 3 339.867 1.813 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C)cc1 ZINC000417311178 446343238 /nfs/dbraw/zinc/34/32/38/446343238.db2.gz LLFNMMIQYJIJCB-UONOGXRCSA-N 1 3 328.407 1.879 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515934 446359094 /nfs/dbraw/zinc/35/90/94/446359094.db2.gz MGOIDYVLVIIWRP-RDJZCZTQSA-N 1 3 336.480 1.685 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633894 446365464 /nfs/dbraw/zinc/36/54/64/446365464.db2.gz JFPGGONDVUIIJS-KCYZZUKISA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633894 446365467 /nfs/dbraw/zinc/36/54/67/446365467.db2.gz JFPGGONDVUIIJS-KCYZZUKISA-N 1 3 330.476 1.683 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374880137 446431629 /nfs/dbraw/zinc/43/16/29/446431629.db2.gz KUHAGWCPPMNVDF-BZUAXINKSA-N 1 3 337.464 1.483 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000418188393 446452488 /nfs/dbraw/zinc/45/24/88/446452488.db2.gz UGDBOQJGAGIQKL-UHFFFAOYSA-N 1 3 334.464 1.696 20 0 EDADHO c1c2c(nn1-c1ccccc1)CCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423205379 446453391 /nfs/dbraw/zinc/45/33/91/446453391.db2.gz PLPGKLNHIDERJU-SFHVURJKSA-N 1 3 325.460 1.745 20 0 EDADHO O=C(NCCC[NH2+]C1CC1)NCC1CCN(c2ccncc2)CC1 ZINC000417961167 446401952 /nfs/dbraw/zinc/40/19/52/446401952.db2.gz AUHNZFGMBVOIMF-UHFFFAOYSA-N 1 3 331.464 1.739 20 0 EDADHO CC(CCN1CCCC[C@@H]1C(N)=O)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000411150993 446410895 /nfs/dbraw/zinc/41/08/95/446410895.db2.gz AHQKZFVEJKIQJQ-HZPDHXFCSA-N 1 3 338.496 1.082 20 0 EDADHO CC(CCN1CCCC[C@@H]1C(N)=O)CC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000411150993 446410897 /nfs/dbraw/zinc/41/08/97/446410897.db2.gz AHQKZFVEJKIQJQ-HZPDHXFCSA-N 1 3 338.496 1.082 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418190876 446453519 /nfs/dbraw/zinc/45/35/19/446453519.db2.gz KAGJUROGHLKRLV-HOCLYGCPSA-N 1 3 349.479 1.339 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCCO[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000432545416 446482848 /nfs/dbraw/zinc/48/28/48/446482848.db2.gz ILEFWZUAFPSOSA-NXOAAHMSSA-N 1 3 325.497 1.865 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418289688 446485956 /nfs/dbraw/zinc/48/59/56/446485956.db2.gz YIJNWASNCRQJLM-MRXNPFEDSA-N 1 3 340.512 1.790 20 0 EDADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339510 446509298 /nfs/dbraw/zinc/50/92/98/446509298.db2.gz LXHJTXJQHCMGNR-HOTGVXAUSA-N 1 3 345.443 1.353 20 0 EDADHO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000420328735 446497913 /nfs/dbraw/zinc/49/79/13/446497913.db2.gz FNKVHUAGXGEVKO-HNNXBMFYSA-N 1 3 337.464 1.006 20 0 EDADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331506 446500284 /nfs/dbraw/zinc/50/02/84/446500284.db2.gz CBUCBLWURDVLEV-RYRKJORJSA-N 1 3 343.471 1.948 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000418477617 446558471 /nfs/dbraw/zinc/55/84/71/446558471.db2.gz YHDMUGUPQRDUQW-HUUCEWRRSA-N 1 3 326.485 1.399 20 0 EDADHO NC[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000418501415 446568484 /nfs/dbraw/zinc/56/84/84/446568484.db2.gz QUNTWEBXHUAYEI-MSOLQXFVSA-N 1 3 342.443 1.599 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C1CCCCC1 ZINC000418377698 446520593 /nfs/dbraw/zinc/52/05/93/446520593.db2.gz JFOAWEMBQDJGGC-CVEARBPZSA-N 1 3 326.485 1.040 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414742 446530330 /nfs/dbraw/zinc/53/03/30/446530330.db2.gz BYDJDRPXHZIYTD-SFHVURJKSA-N 1 3 348.466 1.500 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418497506 446567022 /nfs/dbraw/zinc/56/70/22/446567022.db2.gz KKBJIICKKFATGG-PKOBYXMFSA-N 1 3 346.475 1.002 20 0 EDADHO C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)CN ZINC000420352033 446531829 /nfs/dbraw/zinc/53/18/29/446531829.db2.gz LPFDAKSAWTTYOS-LBPRGKRZSA-N 1 3 330.226 1.029 20 0 EDADHO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)CN ZINC000420352033 446531831 /nfs/dbraw/zinc/53/18/31/446531831.db2.gz LPFDAKSAWTTYOS-LBPRGKRZSA-N 1 3 330.226 1.029 20 0 EDADHO C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)CN1Cc1ccccc1 ZINC000423434987 446536164 /nfs/dbraw/zinc/53/61/64/446536164.db2.gz KZIUAIJSNHUNLW-HOCLYGCPSA-N 1 3 342.447 1.020 20 0 EDADHO CC(C)(C)[C@H](CN)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000420358417 446537761 /nfs/dbraw/zinc/53/77/61/446537761.db2.gz ISGUTVDXTSWROJ-KRWDZBQOSA-N 1 3 332.492 1.294 20 0 EDADHO CC(C)(C)[C@@H](CN)[NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000420358419 446538436 /nfs/dbraw/zinc/53/84/36/446538436.db2.gz ISGUTVDXTSWROJ-QGZVFWFLSA-N 1 3 332.492 1.294 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418430578 446539996 /nfs/dbraw/zinc/53/99/96/446539996.db2.gz PHPIXMPLJAQHJA-QGZVFWFLSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420362884 446542245 /nfs/dbraw/zinc/54/22/45/446542245.db2.gz ZQLSLNHOOOGCDS-BXWFABGCSA-N 1 3 344.503 1.577 20 0 EDADHO CC(C)[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H](C)[NH3+] ZINC000423452972 446544034 /nfs/dbraw/zinc/54/40/34/446544034.db2.gz ZTMUYCDDQJEWTI-BEFAXECRSA-N 1 3 347.503 1.879 20 0 EDADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(OCCN(C)C)CC2)cc1 ZINC000418466370 446555473 /nfs/dbraw/zinc/55/54/73/446555473.db2.gz REFUTKWLBZZCTG-HNNXBMFYSA-N 1 3 348.491 1.959 20 0 EDADHO CC(C)N(C(=O)CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000420380904 446556203 /nfs/dbraw/zinc/55/62/03/446556203.db2.gz OPGRPVLVVVXYFX-AEFFLSMTSA-N 1 3 325.497 1.850 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433342444 446556096 /nfs/dbraw/zinc/55/60/96/446556096.db2.gz WIEHMIUZLPINFG-UHFFFAOYSA-N 1 3 347.463 1.149 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334857 446556489 /nfs/dbraw/zinc/55/64/89/446556489.db2.gz NAJLZOHOJFGDNZ-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418607029 446612998 /nfs/dbraw/zinc/61/29/98/446612998.db2.gz ZXHHTWSRYVRYJD-WMLDXEAASA-N 1 3 336.455 1.897 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418511030 446573739 /nfs/dbraw/zinc/57/37/39/446573739.db2.gz DBHLIGLTOBNVTR-ZDUSSCGKSA-N 1 3 340.418 1.648 20 0 EDADHO CN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418530974 446583915 /nfs/dbraw/zinc/58/39/15/446583915.db2.gz VVMLDURHFWNCLU-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000418563267 446595196 /nfs/dbraw/zinc/59/51/96/446595196.db2.gz SEBPWUVFRPTFIY-QGZVFWFLSA-N 1 3 347.507 1.183 20 0 EDADHO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCN1C ZINC000433871485 446603527 /nfs/dbraw/zinc/60/35/27/446603527.db2.gz WVLWWZNDLOBUBG-HOCLYGCPSA-N 1 3 339.505 1.851 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418699951 446652943 /nfs/dbraw/zinc/65/29/43/446652943.db2.gz OFDNCYXSDGGWMH-ZMSDIMECSA-N 1 3 333.480 1.813 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418699949 446653279 /nfs/dbraw/zinc/65/32/79/446653279.db2.gz OFDNCYXSDGGWMH-YQQAZPJKSA-N 1 3 333.480 1.813 20 0 EDADHO C[C@@H]1CCCN(C(=O)CN2CCC(C)(C[NH+]3CCOCC3)CC2)C1 ZINC000371090620 446623335 /nfs/dbraw/zinc/62/33/35/446623335.db2.gz VQVVAJLTVNTDTR-QGZVFWFLSA-N 1 3 337.508 1.679 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000453913887 446706715 /nfs/dbraw/zinc/70/67/15/446706715.db2.gz HCCTYWJFVKXPBK-DOTOQJQBSA-N 1 3 344.459 1.158 20 0 EDADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274170 446734329 /nfs/dbraw/zinc/73/43/29/446734329.db2.gz CTSAKUBCVLXFLM-IBGZPJMESA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000423751409 446682314 /nfs/dbraw/zinc/68/23/14/446682314.db2.gz FIMKGQOLTQCFSC-QGZVFWFLSA-N 1 3 344.459 1.393 20 0 EDADHO O[C@H]1CN(Cc2ccc(C[N@@H+]3C[C@H](O)C4(CC4)C3)cc2)CC12CC2 ZINC000368411817 446845796 /nfs/dbraw/zinc/84/57/96/446845796.db2.gz PHMQHFPEHFXEKH-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@H]1CN(Cc2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)cc2)CC12CC2 ZINC000368411817 446845804 /nfs/dbraw/zinc/84/58/04/446845804.db2.gz PHMQHFPEHFXEKH-ROUUACIJSA-N 1 3 328.456 1.600 20 0 EDADHO Cn1nnnc1N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000371436956 446854852 /nfs/dbraw/zinc/85/48/52/446854852.db2.gz CWBDFECRUSKIPN-UHFFFAOYSA-N 1 3 347.511 1.566 20 0 EDADHO Cn1nnnc1N1CCC(NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000371436956 446854856 /nfs/dbraw/zinc/85/48/56/446854856.db2.gz CWBDFECRUSKIPN-UHFFFAOYSA-N 1 3 347.511 1.566 20 0 EDADHO COCCNCC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375511236 446861825 /nfs/dbraw/zinc/86/18/25/446861825.db2.gz FQRJUXKBOZLJPO-QZTJIDSGSA-N 1 3 333.476 1.421 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000424439891 446870946 /nfs/dbraw/zinc/87/09/46/446870946.db2.gz SVFDPSIYSDQPKF-HNNXBMFYSA-N 1 3 333.480 1.459 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CN)CC(C)C ZINC000419127777 446939766 /nfs/dbraw/zinc/93/97/66/446939766.db2.gz SLHZMCLSKBTEBT-HOTGVXAUSA-N 1 3 340.512 1.199 20 0 EDADHO CCCN(C)CC(=O)NC[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC000442820562 446979714 /nfs/dbraw/zinc/97/97/14/446979714.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)NC[C@@]1(C)CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000442820562 446979719 /nfs/dbraw/zinc/97/97/19/446979719.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC000442820562 446979728 /nfs/dbraw/zinc/97/97/28/446979728.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO CCCN(C)CC(=O)N1CC[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC000442820562 446979735 /nfs/dbraw/zinc/97/97/35/446979735.db2.gz BVQSXWPRUODWDS-GOSISDBHSA-N 1 3 340.512 1.025 20 0 EDADHO C[C@@H](C(=O)N1CCCN(CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494785 447089266 /nfs/dbraw/zinc/08/92/66/447089266.db2.gz KKBLBMVESCGIOE-INIZCTEOSA-N 1 3 325.497 1.556 20 0 EDADHO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375895431 447128812 /nfs/dbraw/zinc/12/88/12/447128812.db2.gz MLPFEJQVKFNFIK-KZNAEPCWSA-N 1 3 331.460 1.774 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375977110 447186734 /nfs/dbraw/zinc/18/67/34/447186734.db2.gz RIMCKEZAFPOZAE-AZUAARDMSA-N 1 3 343.471 1.259 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419584477 447281209 /nfs/dbraw/zinc/28/12/09/447281209.db2.gz KVCIZWJSMHKVCT-WMLDXEAASA-N 1 3 346.475 1.313 20 0 EDADHO C[N@H+](CCN1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000450352107 447464917 /nfs/dbraw/zinc/46/49/17/447464917.db2.gz XERUHKMMTAMEEH-UHFFFAOYSA-N 1 3 344.503 1.358 20 0 EDADHO C[N@@H+](CCN1CCN(C(=O)CN2CCCC2)CC1)Cc1ccccc1 ZINC000450352107 447464922 /nfs/dbraw/zinc/46/49/22/447464922.db2.gz XERUHKMMTAMEEH-UHFFFAOYSA-N 1 3 344.503 1.358 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426675112 447490097 /nfs/dbraw/zinc/49/00/97/447490097.db2.gz PHHIWOBBENUWNG-SFHVURJKSA-N 1 3 337.508 1.963 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C ZINC000419920163 447490985 /nfs/dbraw/zinc/49/09/85/447490985.db2.gz WMLQBOGBFJBHBX-HYVNUMGLSA-N 1 3 346.475 1.134 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](N)c2ccccc2)C[C@H]1C ZINC000419920163 447490992 /nfs/dbraw/zinc/49/09/92/447490992.db2.gz WMLQBOGBFJBHBX-HYVNUMGLSA-N 1 3 346.475 1.134 20 0 EDADHO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415522878 447494451 /nfs/dbraw/zinc/49/44/51/447494451.db2.gz WUACLTWVJIHKAZ-UHFFFAOYSA-N 1 3 346.475 1.727 20 0 EDADHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000390942802 447506201 /nfs/dbraw/zinc/50/62/01/447506201.db2.gz QZMHMQRYWUEERZ-MSOLQXFVSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000420122913 447616353 /nfs/dbraw/zinc/61/63/53/447616353.db2.gz LGKWIQDSHKWHSP-XYPHTWIQSA-N 1 3 344.459 1.018 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457997489 447692686 /nfs/dbraw/zinc/69/26/86/447692686.db2.gz ZJFZVUVCRVDROE-INIZCTEOSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457997489 447692691 /nfs/dbraw/zinc/69/26/91/447692691.db2.gz ZJFZVUVCRVDROE-INIZCTEOSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H](CNC(=O)NC[C@H]1CCCN1CCCO)[NH+]1CCC(C)CC1 ZINC000458053527 447710236 /nfs/dbraw/zinc/71/02/36/447710236.db2.gz SKWPIPIURSKFCZ-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](NC[C@H](O)Cn1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715214 447749969 /nfs/dbraw/zinc/74/99/69/447749969.db2.gz PAIBXXXOIIZIGK-SZMVWBNQSA-N 1 3 329.448 1.139 20 0 EDADHO C[C@H](NC[C@H](O)Cn1ccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459715214 447749970 /nfs/dbraw/zinc/74/99/70/447749970.db2.gz PAIBXXXOIIZIGK-SZMVWBNQSA-N 1 3 329.448 1.139 20 0 EDADHO CN(C)C(=O)[C@@H]1CCCN1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875021 447770781 /nfs/dbraw/zinc/77/07/81/447770781.db2.gz BHLOAUGWCIDKTM-SQNIBIBYSA-N 1 3 330.476 1.664 20 0 EDADHO C[C@@H](NC[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422985776 447787399 /nfs/dbraw/zinc/78/73/99/447787399.db2.gz AGSCNXPFUKPLPM-DGCLKSJQSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1CNC1 ZINC000422985776 447787405 /nfs/dbraw/zinc/78/74/05/447787405.db2.gz AGSCNXPFUKPLPM-DGCLKSJQSA-N 1 3 332.366 1.934 20 0 EDADHO C[NH+](C)CCOCCNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000471654022 447807159 /nfs/dbraw/zinc/80/71/59/447807159.db2.gz QCGIXWISYCEXDY-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO C[N@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671623 447845145 /nfs/dbraw/zinc/84/51/45/447845145.db2.gz IGHHHGMHZJSKDD-CQSZACIVSA-N 1 3 327.469 1.479 20 0 EDADHO C[N@@H+](C[C@H](O)CNCC1(NC(=O)OC(C)(C)C)CCC1)C1CC1 ZINC000496671623 447845146 /nfs/dbraw/zinc/84/51/46/447845146.db2.gz IGHHHGMHZJSKDD-CQSZACIVSA-N 1 3 327.469 1.479 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccnc1 ZINC000523484314 447888970 /nfs/dbraw/zinc/88/89/70/447888970.db2.gz AUBTWUVVOFORKA-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccnc1 ZINC000523484314 447888975 /nfs/dbraw/zinc/88/89/75/447888975.db2.gz AUBTWUVVOFORKA-SFHVURJKSA-N 1 3 332.492 1.889 20 0 EDADHO Cc1ccc([C@@H]2C[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000575799547 447899417 /nfs/dbraw/zinc/89/94/17/447899417.db2.gz LIOMOWHKUYPCHS-ZWKOTPCHSA-N 1 3 332.492 1.986 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000524930307 447960965 /nfs/dbraw/zinc/96/09/65/447960965.db2.gz MWWFNLDIIBVNAO-GOSISDBHSA-N 1 3 332.492 1.679 20 0 EDADHO CN1CCN(CCCNC(=O)C2(C)C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000569924226 447919633 /nfs/dbraw/zinc/91/96/33/447919633.db2.gz TZZGZEYVACPHKC-QGZVFWFLSA-N 1 3 330.476 1.091 20 0 EDADHO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000491385287 448009720 /nfs/dbraw/zinc/00/97/20/448009720.db2.gz FXFOBDJXDQUZKO-CQSZACIVSA-N 1 3 334.468 1.613 20 0 EDADHO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CCN(C)CC3)n2)C1 ZINC000491385287 448009725 /nfs/dbraw/zinc/00/97/25/448009725.db2.gz FXFOBDJXDQUZKO-CQSZACIVSA-N 1 3 334.468 1.613 20 0 EDADHO CN(Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000570914868 448084255 /nfs/dbraw/zinc/08/42/55/448084255.db2.gz ZMPQSDWREQWRJP-NCXUSEDFSA-N 1 3 333.476 1.772 20 0 EDADHO CN(Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000570914868 448084259 /nfs/dbraw/zinc/08/42/59/448084259.db2.gz ZMPQSDWREQWRJP-NCXUSEDFSA-N 1 3 333.476 1.772 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/CN(C)C)cc1 ZINC000491872608 448140112 /nfs/dbraw/zinc/14/01/12/448140112.db2.gz RQSQMEOUYMVFPR-BQYQJAHWSA-N 1 3 346.475 1.815 20 0 EDADHO C[C@@H]1C[C@H](NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@@H+]1C ZINC000532494168 448264653 /nfs/dbraw/zinc/26/46/53/448264653.db2.gz VQHRBKYQSCYKNI-DWQUBVKVSA-N 1 3 330.432 1.314 20 0 EDADHO C[C@@H]1C[C@H](NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@H+]1C ZINC000532494168 448264659 /nfs/dbraw/zinc/26/46/59/448264659.db2.gz VQHRBKYQSCYKNI-DWQUBVKVSA-N 1 3 330.432 1.314 20 0 EDADHO CCCc1cc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n[nH]1 ZINC000565430609 448367813 /nfs/dbraw/zinc/36/78/13/448367813.db2.gz DXNTYHGMIMWNAB-UHFFFAOYSA-N 1 3 347.507 2.497 20 0 EDADHO CCOC1CC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)(N2CCOCC2)C1 ZINC000577839753 448398790 /nfs/dbraw/zinc/39/87/90/448398790.db2.gz SGWSVLJEOVZHOW-GLKKMWKASA-N 1 3 345.487 1.991 20 0 EDADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000578064653 448452513 /nfs/dbraw/zinc/45/25/13/448452513.db2.gz OQVYOPMXWLCUGB-SFHVURJKSA-N 1 3 335.492 1.350 20 0 EDADHO CCOC(=O)C1CCC(O)(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000591749047 448480715 /nfs/dbraw/zinc/48/07/15/448480715.db2.gz CIZNKKNMBHXFAV-BNQMIIOLSA-N 1 3 326.481 1.933 20 0 EDADHO CCOC(=O)C1CCC(O)(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000591749047 448480718 /nfs/dbraw/zinc/48/07/18/448480718.db2.gz CIZNKKNMBHXFAV-BNQMIIOLSA-N 1 3 326.481 1.933 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1ccnc1 ZINC000578513014 448565610 /nfs/dbraw/zinc/56/56/10/448565610.db2.gz IBNNHRITDYSFAU-DLBZAZTESA-N 1 3 335.496 1.709 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)n1ccnc1 ZINC000578513014 448565615 /nfs/dbraw/zinc/56/56/15/448565615.db2.gz IBNNHRITDYSFAU-DLBZAZTESA-N 1 3 335.496 1.709 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000584464559 448535783 /nfs/dbraw/zinc/53/57/83/448535783.db2.gz YJECSHVDEABFGU-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000584464559 448535788 /nfs/dbraw/zinc/53/57/88/448535788.db2.gz YJECSHVDEABFGU-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000584464559 448535793 /nfs/dbraw/zinc/53/57/93/448535793.db2.gz YJECSHVDEABFGU-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)c1csc(CC[NH3+])n1 ZINC000584471117 448540397 /nfs/dbraw/zinc/54/03/97/448540397.db2.gz XKINBEILHGYLKX-UHFFFAOYSA-N 1 3 333.461 1.243 20 0 EDADHO CN(C)[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000584479484 448542719 /nfs/dbraw/zinc/54/27/19/448542719.db2.gz XMUNDPHVFXWGQN-ROUUACIJSA-N 1 3 345.487 1.422 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000584730526 448613428 /nfs/dbraw/zinc/61/34/28/448613428.db2.gz RETDZZBNFRXCTH-UHFFFAOYSA-N 1 3 333.480 1.196 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340119 448604045 /nfs/dbraw/zinc/60/40/45/448604045.db2.gz JHVBXWBHTUIRLK-IBGZPJMESA-N 1 3 342.487 1.865 20 0 EDADHO CCc1cccnc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000573594037 448666828 /nfs/dbraw/zinc/66/68/28/448666828.db2.gz LBTTWQVWWBDWHB-NRXGSXMXSA-N 1 3 330.476 1.941 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000584778766 448629038 /nfs/dbraw/zinc/62/90/38/448629038.db2.gz XZOBBFKKSVSQSG-ZQIUZPCESA-N 1 3 334.464 1.178 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([C@@H](C)O)C3)CC2)CC1 ZINC000518741536 448703836 /nfs/dbraw/zinc/70/38/36/448703836.db2.gz ARUYGYBDEBEZIL-WBVHZDCISA-N 1 3 337.508 1.412 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1NCCc2ccccc21 ZINC000567571526 448715587 /nfs/dbraw/zinc/71/55/87/448715587.db2.gz LPYZUNMUMCIGJG-RDTXWAMCSA-N 1 3 328.460 1.657 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NC[C@H]1NCCc2ccccc21 ZINC000567571526 448715591 /nfs/dbraw/zinc/71/55/91/448715591.db2.gz LPYZUNMUMCIGJG-RDTXWAMCSA-N 1 3 328.460 1.657 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCn3cccn3)CC2)CC1 ZINC000574051139 448781323 /nfs/dbraw/zinc/78/13/23/448781323.db2.gz GCUGBPIZVORHHY-UHFFFAOYSA-N 1 3 347.507 1.538 20 0 EDADHO COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000519816261 448850074 /nfs/dbraw/zinc/85/00/74/448850074.db2.gz CPVLRWCMSBHPEI-AEFFLSMTSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816261 448850079 /nfs/dbraw/zinc/85/00/79/448850079.db2.gz CPVLRWCMSBHPEI-AEFFLSMTSA-N 1 3 334.460 1.647 20 0 EDADHO COc1ccc(COC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000519816261 448850086 /nfs/dbraw/zinc/85/00/86/448850086.db2.gz CPVLRWCMSBHPEI-AEFFLSMTSA-N 1 3 334.460 1.647 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(N)CCC2)c1 ZINC000520588061 448914732 /nfs/dbraw/zinc/91/47/32/448914732.db2.gz DONJVBAJEJHXKS-UHFFFAOYSA-N 1 3 332.448 1.578 20 0 EDADHO COc1cc2c(cc1CN(C)CCCN(C)CC[NH+](C)C)OCO2 ZINC000574677861 448930942 /nfs/dbraw/zinc/93/09/42/448930942.db2.gz LSHKTLXJUUFXAA-UHFFFAOYSA-N 1 3 337.464 1.739 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887626 /nfs/dbraw/zinc/88/76/26/448887626.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 1 3 343.471 1.178 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887631 /nfs/dbraw/zinc/88/76/31/448887631.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 1 3 343.471 1.178 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NCC1CC[NH2+]CC1 ZINC000575051323 449022559 /nfs/dbraw/zinc/02/25/59/449022559.db2.gz ZPDVVSHBERVJFZ-UHFFFAOYSA-N 1 3 330.476 1.734 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000522138132 449055099 /nfs/dbraw/zinc/05/50/99/449055099.db2.gz CEGBFXRUHOVGDP-INIZCTEOSA-N 1 3 344.459 1.402 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000522138132 449055102 /nfs/dbraw/zinc/05/51/02/449055102.db2.gz CEGBFXRUHOVGDP-INIZCTEOSA-N 1 3 344.459 1.402 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592960423 449084766 /nfs/dbraw/zinc/08/47/66/449084766.db2.gz ZXENJIWQGWQMKC-LSDHHAIUSA-N 1 3 333.480 1.714 20 0 EDADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(C)o1 ZINC000597942249 449152192 /nfs/dbraw/zinc/15/21/92/449152192.db2.gz JHISODOCYNXEAU-LBPRGKRZSA-N 1 3 339.436 1.376 20 0 EDADHO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(C)o1 ZINC000597942249 449152196 /nfs/dbraw/zinc/15/21/96/449152196.db2.gz JHISODOCYNXEAU-LBPRGKRZSA-N 1 3 339.436 1.376 20 0 EDADHO CC[C@@H](C)[C@H](NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909685 449247292 /nfs/dbraw/zinc/24/72/92/449247292.db2.gz MQNCFNDTNRIAFE-ANQUJSFKSA-N 1 3 341.496 1.530 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000590860010 449323960 /nfs/dbraw/zinc/32/39/60/449323960.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 1 3 344.503 1.944 20 0 EDADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000590860010 449323967 /nfs/dbraw/zinc/32/39/67/449323967.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 1 3 344.503 1.944 20 0 EDADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425579 449380786 /nfs/dbraw/zinc/38/07/86/449380786.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 1 3 343.471 1.224 20 0 EDADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000605425579 449380790 /nfs/dbraw/zinc/38/07/90/449380790.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 1 3 343.471 1.224 20 0 EDADHO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CCC2 ZINC000594502065 449558757 /nfs/dbraw/zinc/55/87/57/449558757.db2.gz CKVCUCBAYDWBSV-AEFFLSMTSA-N 1 3 332.444 1.897 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1OCCc2ccccc21 ZINC000607244677 449589867 /nfs/dbraw/zinc/58/98/67/449589867.db2.gz UQYBGOFHURRWCQ-GOSISDBHSA-N 1 3 348.491 1.435 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CSc2ccccc21 ZINC000607247511 449591215 /nfs/dbraw/zinc/59/12/15/449591215.db2.gz SCNLEBXIIBNNPN-OAHLLOKOSA-N 1 3 336.505 1.968 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000617505883 449653197 /nfs/dbraw/zinc/65/31/97/449653197.db2.gz UFGQBIIUOTZIRO-IKGGRYGDSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000617505883 449653201 /nfs/dbraw/zinc/65/32/01/449653201.db2.gz UFGQBIIUOTZIRO-IKGGRYGDSA-N 1 3 327.513 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cc2ccccc2n1 ZINC000617505497 449653353 /nfs/dbraw/zinc/65/33/53/449653353.db2.gz FIPMFWIAJNLPTA-HNNXBMFYSA-N 1 3 331.464 1.425 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cc2ccccc2n1 ZINC000617505497 449653356 /nfs/dbraw/zinc/65/33/56/449653356.db2.gz FIPMFWIAJNLPTA-HNNXBMFYSA-N 1 3 331.464 1.425 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)Sc1ccccn1 ZINC000617505585 449653523 /nfs/dbraw/zinc/65/35/23/449653523.db2.gz IWKAOCMGTPQFQC-GJZGRUSLSA-N 1 3 338.521 1.950 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)Sc1ccccn1 ZINC000617505585 449653529 /nfs/dbraw/zinc/65/35/29/449653529.db2.gz IWKAOCMGTPQFQC-GJZGRUSLSA-N 1 3 338.521 1.950 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000617507263 449656465 /nfs/dbraw/zinc/65/64/65/449656465.db2.gz OTVLBPABKVKPMW-HNNXBMFYSA-N 1 3 349.475 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCc1cccc2c1OCO2 ZINC000617507263 449656470 /nfs/dbraw/zinc/65/64/70/449656470.db2.gz OTVLBPABKVKPMW-HNNXBMFYSA-N 1 3 349.475 1.736 20 0 EDADHO CCn1nc(C)c(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C ZINC000617508084 449657876 /nfs/dbraw/zinc/65/78/76/449657876.db2.gz UIVAADVIKGQURD-AWEZNQCLSA-N 1 3 337.512 1.451 20 0 EDADHO CCn1nc(C)c(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C ZINC000617508084 449657883 /nfs/dbraw/zinc/65/78/83/449657883.db2.gz UIVAADVIKGQURD-AWEZNQCLSA-N 1 3 337.512 1.451 20 0 EDADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602538279 449660754 /nfs/dbraw/zinc/66/07/54/449660754.db2.gz BWFLWNKZZLTYML-CQSZACIVSA-N 1 3 339.505 1.898 20 0 EDADHO Cc1nn(C)c2ncc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc12 ZINC000617503980 449648060 /nfs/dbraw/zinc/64/80/60/449648060.db2.gz CYURVTYPLMHPCN-ZDUSSCGKSA-N 1 3 346.479 1.279 20 0 EDADHO Cc1nn(C)c2ncc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc12 ZINC000617503980 449648062 /nfs/dbraw/zinc/64/80/62/449648062.db2.gz CYURVTYPLMHPCN-ZDUSSCGKSA-N 1 3 346.479 1.279 20 0 EDADHO CN1CCC(C[NH2+]C[C@H]2CNc3ccnn3C2)(N2CCCCC2)CC1 ZINC000608064926 449741137 /nfs/dbraw/zinc/74/11/37/449741137.db2.gz JMMQAOOKFNOHFF-KRWDZBQOSA-N 1 3 346.523 1.465 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612977841 449968488 /nfs/dbraw/zinc/96/84/88/449968488.db2.gz SMOPYDNVVYDIHA-MRXNPFEDSA-N 1 3 338.496 1.317 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCOC3CCOCC3)CC2)CC1 ZINC000625325633 450291478 /nfs/dbraw/zinc/29/14/78/450291478.db2.gz JLPJXMCHDNHUNY-UHFFFAOYSA-N 1 3 339.524 1.532 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000620623294 450522051 /nfs/dbraw/zinc/52/20/51/450522051.db2.gz OOPRVUMYCWGOKV-UHFFFAOYSA-N 1 3 336.480 1.872 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccnc(OCCN(C)C)c1 ZINC000620623294 450522053 /nfs/dbraw/zinc/52/20/53/450522053.db2.gz OOPRVUMYCWGOKV-UHFFFAOYSA-N 1 3 336.480 1.872 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623572071 450545202 /nfs/dbraw/zinc/54/52/02/450545202.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623572071 450545204 /nfs/dbraw/zinc/54/52/04/450545204.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627257525 450586616 /nfs/dbraw/zinc/58/66/16/450586616.db2.gz ISVYEMPMKNVQRI-IAGOWNOFSA-N 1 3 325.497 1.556 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000633042268 450640875 /nfs/dbraw/zinc/64/08/75/450640875.db2.gz CLAAKKSULKAOEG-UHFFFAOYSA-N 1 3 344.459 1.561 20 0 EDADHO NC1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCOCC1 ZINC000629387783 450642919 /nfs/dbraw/zinc/64/29/19/450642919.db2.gz NDHFXDDFHHYFDF-UHFFFAOYSA-N 1 3 344.415 1.445 20 0 EDADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cc1ncn[nH]1 ZINC000631657822 450700544 /nfs/dbraw/zinc/70/05/44/450700544.db2.gz HGHJBKIYIYZPTE-UHFFFAOYSA-N 1 3 348.495 1.002 20 0 EDADHO O[C@@H](CNC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558650 450735244 /nfs/dbraw/zinc/73/52/44/450735244.db2.gz LIKBIMIPSMMFSG-HOCLYGCPSA-N 1 3 339.430 1.837 20 0 EDADHO COc1ccc(C[C@H](C)CNC[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000629575411 450743835 /nfs/dbraw/zinc/74/38/35/450743835.db2.gz OYTRRXRSTPKCKQ-DOTOQJQBSA-N 1 3 336.476 1.929 20 0 EDADHO C[N@H+](C[C@@H](O)CNCCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608256 450761465 /nfs/dbraw/zinc/76/14/65/450761465.db2.gz RTXVBBGPNFBLIE-ZDUSSCGKSA-N 1 3 328.359 1.595 20 0 EDADHO C[N@@H+](C[C@@H](O)CNCCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608256 450761466 /nfs/dbraw/zinc/76/14/66/450761466.db2.gz RTXVBBGPNFBLIE-ZDUSSCGKSA-N 1 3 328.359 1.595 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000635278337 450808523 /nfs/dbraw/zinc/80/85/23/450808523.db2.gz JWXDKLOLRVBOIS-OAHLLOKOSA-N 1 3 325.522 1.806 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000635278337 450808527 /nfs/dbraw/zinc/80/85/27/450808527.db2.gz JWXDKLOLRVBOIS-OAHLLOKOSA-N 1 3 325.522 1.806 20 0 EDADHO Cn1c2cc(CN3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828849 450801164 /nfs/dbraw/zinc/80/11/64/450801164.db2.gz AATZKNQIHPMYNQ-RLFYNMQTSA-N 1 3 345.443 1.850 20 0 EDADHO O=C1N[C@@H]2CN(C[C@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828294 450801181 /nfs/dbraw/zinc/80/11/81/450801181.db2.gz LCVNEZXYMOHIPQ-CFVMTHIKSA-N 1 3 342.434 1.642 20 0 EDADHO CN(CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000630019056 450957598 /nfs/dbraw/zinc/95/75/98/450957598.db2.gz QHXYFWWCFBRKML-UHFFFAOYSA-N 1 3 330.476 1.894 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626945182 451024606 /nfs/dbraw/zinc/02/46/06/451024606.db2.gz RFCOCZHZNMAIDJ-IRXDYDNUSA-N 1 3 330.476 1.743 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)CC1 ZINC000635542183 451038675 /nfs/dbraw/zinc/03/86/75/451038675.db2.gz AOBGIVQWMHYEET-LJQANCHMSA-N 1 3 348.535 1.489 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635559008 451055786 /nfs/dbraw/zinc/05/57/86/451055786.db2.gz OUVBGYAUBIEPKN-SFHVURJKSA-N 1 3 336.524 1.393 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000627031797 451090607 /nfs/dbraw/zinc/09/06/07/451090607.db2.gz IKUROODHYBHNGP-KBXCAEBGSA-N 1 3 346.475 1.709 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627071008 451111102 /nfs/dbraw/zinc/11/11/02/451111102.db2.gz IXYJDPHSMDIEHI-INIZCTEOSA-N 1 3 334.464 1.617 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635745053 451214626 /nfs/dbraw/zinc/21/46/26/451214626.db2.gz TYBWKOJXCRWYCM-INIZCTEOSA-N 1 3 331.460 1.924 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000635745053 451214628 /nfs/dbraw/zinc/21/46/28/451214628.db2.gz TYBWKOJXCRWYCM-INIZCTEOSA-N 1 3 331.460 1.924 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089765 451256349 /nfs/dbraw/zinc/25/63/49/451256349.db2.gz CUOBTHZWUMXPPJ-FGTMMUONSA-N 1 3 338.540 1.767 20 0 EDADHO CC(C)CC[C@@H](N)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089765 451256352 /nfs/dbraw/zinc/25/63/52/451256352.db2.gz CUOBTHZWUMXPPJ-FGTMMUONSA-N 1 3 338.540 1.767 20 0 EDADHO O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000634261220 451256353 /nfs/dbraw/zinc/25/63/53/451256353.db2.gz ZBYYJLBZFKDRPR-HKUYNNGSSA-N 1 3 346.475 1.065 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C3=CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000638091491 451256957 /nfs/dbraw/zinc/25/69/57/451256957.db2.gz WFMKLUQMQIHVBR-GFCCVEGCSA-N 1 3 330.388 1.142 20 0 EDADHO [NH3+]Cc1cnn(Cc2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)c1 ZINC000630591091 451266827 /nfs/dbraw/zinc/26/68/27/451266827.db2.gz CTQAMRTWUSCPGS-GOSISDBHSA-N 1 3 337.431 1.429 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000638120512 451287726 /nfs/dbraw/zinc/28/77/26/451287726.db2.gz FCCRNFUBHIREAX-LPHOPBHVSA-N 1 3 344.459 1.908 20 0 EDADHO [NH3+][C@H]1CC=C(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000638122106 451291515 /nfs/dbraw/zinc/29/15/15/451291515.db2.gz LJLWMLXQRBODOH-INIZCTEOSA-N 1 3 347.434 1.833 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638152829 451323957 /nfs/dbraw/zinc/32/39/57/451323957.db2.gz RWQCOCYYSASNPN-GOSISDBHSA-N 1 3 332.492 1.294 20 0 EDADHO C[N@@H+]1CCCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749186 451397102 /nfs/dbraw/zinc/39/71/02/451397102.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 1 3 345.487 1.472 20 0 EDADHO C[N@H+]1CCCC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000628749186 451397110 /nfs/dbraw/zinc/39/71/10/451397110.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630807089 451413077 /nfs/dbraw/zinc/41/30/77/451413077.db2.gz DAGHSNLZNDILQB-HZPDHXFCSA-N 1 3 349.523 1.931 20 0 EDADHO CC(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)N1CCOCC1 ZINC000638322362 451431894 /nfs/dbraw/zinc/43/18/94/451431894.db2.gz ZBTVWRAKNBYMBF-KRWDZBQOSA-N 1 3 327.513 1.168 20 0 EDADHO CCN1CCN(CCCC[NH2+]C2CCN(CC(C)(C)O)CC2)CC1 ZINC000638361223 451460089 /nfs/dbraw/zinc/46/00/89/451460089.db2.gz ZPSMQMNZECGTJP-UHFFFAOYSA-N 1 3 340.556 1.229 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638374153 451470268 /nfs/dbraw/zinc/47/02/68/451470268.db2.gz XFNMIXYXBZPDLC-FQEVSTJZSA-N 1 3 335.451 1.960 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379769 451475389 /nfs/dbraw/zinc/47/53/89/451475389.db2.gz MZGUOMPAEPIHFC-TVRKMHQQSA-N 1 3 330.476 1.176 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cn1 ZINC000630912285 451480047 /nfs/dbraw/zinc/48/00/47/451480047.db2.gz HPEGOBZMZNEOFL-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388968 451480951 /nfs/dbraw/zinc/48/09/51/451480951.db2.gz KSJNYBTZRHUYBV-GOSISDBHSA-N 1 3 344.434 1.360 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000638400632 451488995 /nfs/dbraw/zinc/48/89/95/451488995.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 1 3 346.519 1.682 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000638400632 451489000 /nfs/dbraw/zinc/48/90/00/451489000.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 1 3 346.519 1.682 20 0 EDADHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539346 451566846 /nfs/dbraw/zinc/56/68/46/451566846.db2.gz OCDAHQWRFQOYSA-INIZCTEOSA-N 1 3 349.450 1.662 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3C[C@@H](O)C3)CC2)CC1 ZINC000629256466 451619704 /nfs/dbraw/zinc/61/97/04/451619704.db2.gz YVDYPNCQGLBLHU-RHNCMZPLSA-N 1 3 337.508 1.412 20 0 EDADHO COc1ccccc1CC(=O)N1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000634995771 451641987 /nfs/dbraw/zinc/64/19/87/451641987.db2.gz OKIGGBLGHMOQLY-UHFFFAOYSA-N 1 3 343.471 1.570 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@@H](C)O1 ZINC000632978444 451675141 /nfs/dbraw/zinc/67/51/41/451675141.db2.gz GEDJUSLBTXLHHR-CPUCHLNUSA-N 1 3 338.496 1.410 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800635 451694651 /nfs/dbraw/zinc/69/46/51/451694651.db2.gz OBJCKFHJBAWNHR-AZUAARDMSA-N 1 3 345.487 1.783 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCN1 ZINC000638800635 451694656 /nfs/dbraw/zinc/69/46/56/451694656.db2.gz OBJCKFHJBAWNHR-AZUAARDMSA-N 1 3 345.487 1.783 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000638837057 451706171 /nfs/dbraw/zinc/70/61/71/451706171.db2.gz XMDBEVOMUWSAGJ-NEWSRXKRSA-N 1 3 345.487 1.639 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNC[C@@H]1CCCO1 ZINC000638837057 451706173 /nfs/dbraw/zinc/70/61/73/451706173.db2.gz XMDBEVOMUWSAGJ-NEWSRXKRSA-N 1 3 345.487 1.639 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@H](CC[NH3+])C3)cn2)CC1 ZINC000632961496 451670313 /nfs/dbraw/zinc/67/03/13/451670313.db2.gz RVCVGBYUUFEKPG-CQSZACIVSA-N 1 3 334.468 1.743 20 0 EDADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccco1 ZINC000637139397 451738562 /nfs/dbraw/zinc/73/85/62/451738562.db2.gz JYQAULOTGBSQBQ-ILXRZTDVSA-N 1 3 338.452 1.075 20 0 EDADHO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCN1CC[C@H](O)C1)c1ccco1 ZINC000637139400 451739267 /nfs/dbraw/zinc/73/92/67/451739267.db2.gz JYQAULOTGBSQBQ-QLFBSQMISA-N 1 3 338.452 1.075 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)CCc2ccccc2)C1 ZINC000644539337 451851091 /nfs/dbraw/zinc/85/10/91/451851091.db2.gz CBAWUHZLNBQQBX-QZTJIDSGSA-N 1 3 333.476 1.157 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)CCc2ccccc2)C1 ZINC000644539337 451851095 /nfs/dbraw/zinc/85/10/95/451851095.db2.gz CBAWUHZLNBQQBX-QZTJIDSGSA-N 1 3 333.476 1.157 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1cccc(OC)c1 ZINC000649282842 451956098 /nfs/dbraw/zinc/95/60/98/451956098.db2.gz LJOJPSUXUOYTRU-SJLPKXTDSA-N 1 3 349.475 1.430 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CCN(C)C2)C1 ZINC000649288428 451963390 /nfs/dbraw/zinc/96/33/90/451963390.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 1 3 344.503 1.568 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CCN(C)C2)C1 ZINC000649288428 451963394 /nfs/dbraw/zinc/96/33/94/451963394.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 1 3 344.503 1.568 20 0 EDADHO CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649300805 451978110 /nfs/dbraw/zinc/97/81/10/451978110.db2.gz PGMCOBWWCSLPSP-QZTJIDSGSA-N 1 3 331.460 1.345 20 0 EDADHO COc1cc(CNC(=O)[C@]2(C)CCC[NH2+]2)ccc1OCCN(C)C ZINC000649302107 451978211 /nfs/dbraw/zinc/97/82/11/451978211.db2.gz WZAVVYWHODFFIN-SFHVURJKSA-N 1 3 335.448 1.394 20 0 EDADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649305320 451981430 /nfs/dbraw/zinc/98/14/30/451981430.db2.gz MMJUIJBWQZSVFS-MSOLQXFVSA-N 1 3 331.460 1.393 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000649306190 451983431 /nfs/dbraw/zinc/98/34/31/451983431.db2.gz FIQBWIRLABFFOP-HNNXBMFYSA-N 1 3 325.403 1.999 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000649306190 451983437 /nfs/dbraw/zinc/98/34/37/451983437.db2.gz FIQBWIRLABFFOP-HNNXBMFYSA-N 1 3 325.403 1.999 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cnn1C ZINC000649318907 451998049 /nfs/dbraw/zinc/99/80/49/451998049.db2.gz URCCNVQWFIKPOA-ZZCKCESHSA-N 1 3 347.507 1.411 20 0 EDADHO Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326543 452007332 /nfs/dbraw/zinc/00/73/32/452007332.db2.gz BJHXVSSOXRVBAD-UAGQMJEPSA-N 1 3 345.491 1.586 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649378638 452051730 /nfs/dbraw/zinc/05/17/30/452051730.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 1 3 336.524 1.523 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649378638 452051733 /nfs/dbraw/zinc/05/17/33/452051733.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 1 3 336.524 1.523 20 0 EDADHO c1ccc(N2CCN(C[C@@H]3CCCN(C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076841 /nfs/dbraw/zinc/07/68/41/452076841.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 1 3 343.519 1.525 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856233 452115839 /nfs/dbraw/zinc/11/58/39/452115839.db2.gz JLRJRMHWAMMHQC-LJQANCHMSA-N 1 3 344.503 1.436 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000654013269 452203947 /nfs/dbraw/zinc/20/39/47/452203947.db2.gz YRHBLBFENLCOHE-HZPDHXFCSA-N 1 3 334.468 1.583 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N2CCOC3(CCN(C)CC3)C2)CC1 ZINC000645241591 452231161 /nfs/dbraw/zinc/23/11/61/452231161.db2.gz NUBXHHTVCIWLNF-UHFFFAOYSA-N 1 3 338.496 1.225 20 0 EDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455478 452232533 /nfs/dbraw/zinc/23/25/33/452232533.db2.gz JYGUAGDYDPFDPV-CEXWTWQISA-N 1 3 338.540 1.293 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccccn2)cc1 ZINC000647492662 452235625 /nfs/dbraw/zinc/23/56/25/452235625.db2.gz RDAGXDCFFSHKLC-UHFFFAOYSA-N 1 3 340.471 1.998 20 0 EDADHO CN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659424208 452265868 /nfs/dbraw/zinc/26/58/68/452265868.db2.gz AEDPKMUPYVJBCZ-IAGOWNOFSA-N 1 3 334.439 1.665 20 0 EDADHO Cc1ccc(-c2nn(C)cc2CN2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541256 452275228 /nfs/dbraw/zinc/27/52/28/452275228.db2.gz UZUTUJWESAMAIP-INIZCTEOSA-N 1 3 329.448 1.468 20 0 EDADHO C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CCO ZINC000661497402 452296904 /nfs/dbraw/zinc/29/69/04/452296904.db2.gz IVVUNPCOZOPKOR-QRQLOZEOSA-N 1 3 347.503 1.888 20 0 EDADHO CCN1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652119535 452315402 /nfs/dbraw/zinc/31/54/02/452315402.db2.gz JOTLTKPBLISMFP-UXLLHSPISA-N 1 3 338.496 1.399 20 0 EDADHO COC[C@@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCCCN1 ZINC000638053251 452331543 /nfs/dbraw/zinc/33/15/43/452331543.db2.gz IXSCOSPLNRFPET-LJQANCHMSA-N 1 3 333.476 1.783 20 0 EDADHO COC[C@@]1(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CCCCN1 ZINC000638053251 452331556 /nfs/dbraw/zinc/33/15/56/452331556.db2.gz IXSCOSPLNRFPET-LJQANCHMSA-N 1 3 333.476 1.783 20 0 EDADHO CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665764106 452347494 /nfs/dbraw/zinc/34/74/94/452347494.db2.gz VAWJUKXXLQVWDK-JKSUJKDBSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)O[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665764106 452347499 /nfs/dbraw/zinc/34/74/99/452347499.db2.gz VAWJUKXXLQVWDK-JKSUJKDBSA-N 1 3 328.501 1.467 20 0 EDADHO CC[C@@H](C)N1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665763975 452348036 /nfs/dbraw/zinc/34/80/36/452348036.db2.gz QMBNOYIMOUDROH-DLBZAZTESA-N 1 3 341.544 1.384 20 0 EDADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659492706 452355846 /nfs/dbraw/zinc/35/58/46/452355846.db2.gz QKCZYELPFDKVHY-DGAVXFQQSA-N 1 3 326.416 1.790 20 0 EDADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000638064384 452364628 /nfs/dbraw/zinc/36/46/28/452364628.db2.gz SXISYFZXBLBPIP-AZUAARDMSA-N 1 3 345.487 1.577 20 0 EDADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3N)cc2)C1 ZINC000638064714 452364838 /nfs/dbraw/zinc/36/48/38/452364838.db2.gz VYYFKSPJGDWBRF-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3N)cc2)C1 ZINC000638064714 452364845 /nfs/dbraw/zinc/36/48/45/452364845.db2.gz VYYFKSPJGDWBRF-JCGIZDLHSA-N 1 3 331.460 1.651 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000638066156 452369920 /nfs/dbraw/zinc/36/99/20/452369920.db2.gz DMFOQRMPGCBRPD-MJGOQNOKSA-N 1 3 347.459 1.349 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183102 452378709 /nfs/dbraw/zinc/37/87/09/452378709.db2.gz OLZBCFWVVKYSOD-RYRKJORJSA-N 1 3 338.496 1.258 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663640406 452382830 /nfs/dbraw/zinc/38/28/30/452382830.db2.gz DTHFGYVDNTWWEK-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659523857 452387545 /nfs/dbraw/zinc/38/75/45/452387545.db2.gz XUDJBUPQNJCMFW-ROUUACIJSA-N 1 3 348.491 1.426 20 0 EDADHO O=C(CN1CCNCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638079327 452395339 /nfs/dbraw/zinc/39/53/39/452395339.db2.gz SDIOCRFLYGMYNI-UHFFFAOYSA-N 1 3 330.476 1.559 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000645452129 452419065 /nfs/dbraw/zinc/41/90/65/452419065.db2.gz HDQNYJYZOVYFOK-PKOBYXMFSA-N 1 3 344.503 1.309 20 0 EDADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576942 452431966 /nfs/dbraw/zinc/43/19/66/452431966.db2.gz GYUQBLXYQIQJNG-QZTJIDSGSA-N 1 3 330.476 1.868 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000654404699 452456228 /nfs/dbraw/zinc/45/62/28/452456228.db2.gz WNYAYOFRTFSNSB-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000659621407 452478619 /nfs/dbraw/zinc/47/86/19/452478619.db2.gz DMYQRIFUNHEBEV-ZACQAIPSSA-N 1 3 339.528 1.027 20 0 EDADHO COc1cc(NC(=O)CCN(C)CCC[NH3+])c(OC)cc1Cl ZINC000647848461 452582559 /nfs/dbraw/zinc/58/25/59/452582559.db2.gz SEPNGLXATZAKLZ-UHFFFAOYSA-N 1 3 329.828 1.966 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1nccs1 ZINC000663877142 452600728 /nfs/dbraw/zinc/60/07/28/452600728.db2.gz SHTJGNKHKYHIRR-ZDUSSCGKSA-N 1 3 327.498 1.257 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1nccs1 ZINC000663877142 452600734 /nfs/dbraw/zinc/60/07/34/452600734.db2.gz SHTJGNKHKYHIRR-ZDUSSCGKSA-N 1 3 327.498 1.257 20 0 EDADHO c1ccc(-c2noc(C3CCN(CCN4CC[NH2+]CC4)CC3)n2)cc1 ZINC000647884395 452623374 /nfs/dbraw/zinc/62/33/74/452623374.db2.gz KZMGKQWQOLAQDA-UHFFFAOYSA-N 1 3 341.459 1.821 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000652612609 452771579 /nfs/dbraw/zinc/77/15/79/452771579.db2.gz XDDIQVUFDNIEAH-HUUCEWRRSA-N 1 3 334.468 1.298 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CCN1C ZINC000658342509 452854597 /nfs/dbraw/zinc/85/45/97/452854597.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658342509 452854610 /nfs/dbraw/zinc/85/46/10/452854610.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC[N@H+]1C ZINC000658342509 452854621 /nfs/dbraw/zinc/85/46/21/452854621.db2.gz NUHYOLQFCKBJJG-YZGWKJHDSA-N 1 3 330.520 1.875 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654734988 452860599 /nfs/dbraw/zinc/86/05/99/452860599.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734988 452860608 /nfs/dbraw/zinc/86/06/08/452860608.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 1 3 338.496 1.149 20 0 EDADHO CC(C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198817 452955333 /nfs/dbraw/zinc/95/53/33/452955333.db2.gz ZNPAEUYINJWGAE-CPUCHLNUSA-N 1 3 348.495 1.067 20 0 EDADHO NCc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000666604652 453003574 /nfs/dbraw/zinc/00/35/74/453003574.db2.gz SUHVCMCDEHIQAP-UHFFFAOYSA-N 1 3 332.448 1.466 20 0 EDADHO c1ccc([C@H](CN2CCOCC2)NC[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662282791 453008175 /nfs/dbraw/zinc/00/81/75/453008175.db2.gz QTONWDPWRZVCKK-MSOLQXFVSA-N 1 3 331.460 1.171 20 0 EDADHO CC(C)CCOCCNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298183 453020852 /nfs/dbraw/zinc/02/08/52/453020852.db2.gz UTWWZMWQLIPSBM-GOSISDBHSA-N 1 3 339.524 1.877 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CN1C1CC1 ZINC000664367869 453038076 /nfs/dbraw/zinc/03/80/76/453038076.db2.gz MUXCXTDSYQDHHO-HLLBOEOZSA-N 1 3 338.496 1.364 20 0 EDADHO Cc1ncc(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338944 453057293 /nfs/dbraw/zinc/05/72/93/453057293.db2.gz XMNDQTFCAMVRBR-AWEZNQCLSA-N 1 3 346.504 1.964 20 0 EDADHO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664421880 453082294 /nfs/dbraw/zinc/08/22/94/453082294.db2.gz QPUYWOPAFXQPBW-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@H](C[C@@H]1CCOC1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664421880 453082300 /nfs/dbraw/zinc/08/23/00/453082300.db2.gz QPUYWOPAFXQPBW-PMPSAXMXSA-N 1 3 328.501 1.373 20 0 EDADHO CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000644153830 453085511 /nfs/dbraw/zinc/08/55/11/453085511.db2.gz VQZWCSYQWPSKHC-CVEARBPZSA-N 1 3 337.414 1.964 20 0 EDADHO COCCN(C)CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662382434 453093396 /nfs/dbraw/zinc/09/33/96/453093396.db2.gz LDZSOJSOVPHHOS-KRWDZBQOSA-N 1 3 333.476 1.763 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658540261 453096968 /nfs/dbraw/zinc/09/69/68/453096968.db2.gz STSAOZGXZDZPDH-UHFFFAOYSA-N 1 3 332.448 1.015 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CO)CC3CC3)CC2)CC1 ZINC000654978946 453098105 /nfs/dbraw/zinc/09/81/05/453098105.db2.gz FRPSBDGWVWDUCZ-QGZVFWFLSA-N 1 3 337.508 1.460 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000646100178 453101231 /nfs/dbraw/zinc/10/12/31/453101231.db2.gz PAXNWQURYUODTQ-MRXNPFEDSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662406241 453118463 /nfs/dbraw/zinc/11/84/63/453118463.db2.gz DPWDFFXKQFCVGC-QLFBSQMISA-N 1 3 348.495 1.299 20 0 EDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000666770768 453135346 /nfs/dbraw/zinc/13/53/46/453135346.db2.gz VRNPMZBGNSRDJJ-MLGOLLRUSA-N 1 3 330.432 1.245 20 0 EDADHO O=C(NC1CCN([C@H]2CCOC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000660281697 453170888 /nfs/dbraw/zinc/17/08/88/453170888.db2.gz YWKDCFLLVUGJRY-KRWDZBQOSA-N 1 3 336.480 1.166 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666889033 453215706 /nfs/dbraw/zinc/21/57/06/453215706.db2.gz KATYWXHZKPBHDJ-UHFFFAOYSA-N 1 3 344.415 1.267 20 0 EDADHO CC[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000653110069 453294872 /nfs/dbraw/zinc/29/48/72/453294872.db2.gz WUHRXTWPULNCGO-ZWKOTPCHSA-N 1 3 332.492 1.219 20 0 EDADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cn[n-]c1[C@H]1CC[NH2+]C1 ZINC000662571897 453297987 /nfs/dbraw/zinc/29/79/87/453297987.db2.gz SDELBIHERDYWJS-NSHDSACASA-N 1 3 346.460 1.662 20 0 EDADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653114520 453300568 /nfs/dbraw/zinc/30/05/68/453300568.db2.gz LLNABGIIUSACAC-HNNXBMFYSA-N 1 3 333.480 1.410 20 0 EDADHO CN(C)[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000653123406 453314736 /nfs/dbraw/zinc/31/47/36/453314736.db2.gz XMUAMXVUGYREFS-GJZGRUSLSA-N 1 3 326.872 1.338 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125340 453319496 /nfs/dbraw/zinc/31/94/96/453319496.db2.gz WPZMYNQEQCCYFX-KRWDZBQOSA-N 1 3 330.476 1.040 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1C ZINC000648842517 453322893 /nfs/dbraw/zinc/32/28/93/453322893.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 1 3 345.487 1.326 20 0 EDADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC[N@H+]1C ZINC000648842517 453322900 /nfs/dbraw/zinc/32/29/00/453322900.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 1 3 345.487 1.326 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379937 /nfs/dbraw/zinc/37/99/37/453379937.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCCN2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379943 /nfs/dbraw/zinc/37/99/43/453379943.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 1 3 326.485 1.271 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000667095358 453401818 /nfs/dbraw/zinc/40/18/18/453401818.db2.gz FALJEAPBPVZGQU-INIZCTEOSA-N 1 3 332.448 1.334 20 0 EDADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660570208 453408887 /nfs/dbraw/zinc/40/88/87/453408887.db2.gz GADZZALDUPMLSW-IKGGRYGDSA-N 1 3 336.480 1.166 20 0 EDADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660570208 453408896 /nfs/dbraw/zinc/40/88/96/453408896.db2.gz GADZZALDUPMLSW-IKGGRYGDSA-N 1 3 336.480 1.166 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000662690490 453410646 /nfs/dbraw/zinc/41/06/46/453410646.db2.gz ABKDQXWSTJMUFI-SQNIBIBYSA-N 1 3 331.460 1.379 20 0 EDADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)N)no1 ZINC000662691457 453412901 /nfs/dbraw/zinc/41/29/01/453412901.db2.gz RRBNOTSVEFCIRA-AWEZNQCLSA-N 1 3 330.432 1.771 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662736383 453462860 /nfs/dbraw/zinc/46/28/60/453462860.db2.gz SIIJQQJMELQOAE-HOTGVXAUSA-N 1 3 348.495 1.587 20 0 EDADHO CCN1CCN(CCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662757838 453495529 /nfs/dbraw/zinc/49/55/29/453495529.db2.gz OENXOJOIJHUKPL-UHFFFAOYSA-N 1 3 330.476 1.090 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655446911 453534178 /nfs/dbraw/zinc/53/41/78/453534178.db2.gz NBZAUJCLFPYRDV-ICSRJNTNSA-N 1 3 345.487 1.675 20 0 EDADHO CN(CCN1CCCCC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662833308 453559986 /nfs/dbraw/zinc/55/99/86/453559986.db2.gz NIKZJMVDTLFWFH-HNNXBMFYSA-N 1 3 334.468 1.151 20 0 EDADHO C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000658993045 453571365 /nfs/dbraw/zinc/57/13/65/453571365.db2.gz QSYWCHXRRUWMMD-HZPDHXFCSA-N 1 3 338.427 1.920 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000658995923 453572202 /nfs/dbraw/zinc/57/22/02/453572202.db2.gz CAZVXELAKUDHDJ-MRXNPFEDSA-N 1 3 348.495 1.688 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000660822797 453587528 /nfs/dbraw/zinc/58/75/28/453587528.db2.gz AFMAGBXFVFHYBW-NVXWUHKLSA-N 1 3 342.553 1.843 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)CCN2CCN(c3ccccc3)CC2)CC[C@H]1F ZINC000662944876 453619361 /nfs/dbraw/zinc/61/93/61/453619361.db2.gz VYWHZOLEDLZLPS-IAGOWNOFSA-N 1 3 334.439 1.096 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036117 453689029 /nfs/dbraw/zinc/68/90/29/453689029.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661036117 453689031 /nfs/dbraw/zinc/68/90/31/453689031.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 1 3 339.528 1.184 20 0 EDADHO c1cnc(N[C@@H]2CCN(C3CC3)C2)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663424953 453794551 /nfs/dbraw/zinc/79/45/51/453794551.db2.gz KOOLBHHTLLBRPR-ZIAGYGMSSA-N 1 3 328.464 1.774 20 0 EDADHO c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663424953 453794553 /nfs/dbraw/zinc/79/45/53/453794553.db2.gz KOOLBHHTLLBRPR-ZIAGYGMSSA-N 1 3 328.464 1.774 20 0 EDADHO c1cnc(N[C@@H]2CC[N@H+](C3CC3)C2)c(N[C@@H]2CCN(C3CC3)C2)n1 ZINC000663424953 453794554 /nfs/dbraw/zinc/79/45/54/453794554.db2.gz KOOLBHHTLLBRPR-ZIAGYGMSSA-N 1 3 328.464 1.774 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431002365 486900715 /nfs/dbraw/zinc/90/07/15/486900715.db2.gz BUTLJLRQMKHZSY-MSOLQXFVSA-N 1 3 330.476 1.178 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000431016603 486902422 /nfs/dbraw/zinc/90/24/22/486902422.db2.gz WBUFRIDPWGKMPP-MOPGFXCFSA-N 1 3 344.503 1.568 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)Nc2cnc3c(c2)CNCC3)CCSC1 ZINC000667799387 486970205 /nfs/dbraw/zinc/97/02/05/486970205.db2.gz UTMBZSRMCWGRLO-MRXNPFEDSA-N 1 3 335.477 1.286 20 0 EDADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000321944527 487024527 /nfs/dbraw/zinc/02/45/27/487024527.db2.gz VRIKHICVSNXRLE-IRXDYDNUSA-N 1 3 326.529 1.386 20 0 EDADHO C[C@H](NC(=O)CC1(N2CCOCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000673671156 487085954 /nfs/dbraw/zinc/08/59/54/487085954.db2.gz VDPGHANWECIIJW-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC000673992381 487179037 /nfs/dbraw/zinc/17/90/37/487179037.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992381 487179041 /nfs/dbraw/zinc/17/90/41/487179041.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC000673992381 487179042 /nfs/dbraw/zinc/17/90/42/487179042.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 1 3 340.512 1.068 20 0 EDADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000673992381 487179046 /nfs/dbraw/zinc/17/90/46/487179046.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 1 3 340.512 1.068 20 0 EDADHO C[C@H]1CCNC(=O)[C@H]1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044888 487220633 /nfs/dbraw/zinc/22/06/33/487220633.db2.gz RVZMCIPDWLKINU-YJBOKZPZSA-N 1 3 331.460 1.775 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114104 487379410 /nfs/dbraw/zinc/37/94/10/487379410.db2.gz FSADUQOQLUXFFY-RHSMWYFYSA-N 1 3 329.448 1.396 20 0 EDADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCN(C)S(C)(=O)=O)CC1 ZINC000675746696 487440982 /nfs/dbraw/zinc/44/09/82/487440982.db2.gz MQQFSBURIVHISQ-RDJZCZTQSA-N 1 3 345.553 1.901 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OC(F)(F)O2 ZINC000668302772 485581109 /nfs/dbraw/zinc/58/11/09/485581109.db2.gz PCXVKHLYXOSVJN-UHFFFAOYSA-N 1 3 343.374 1.574 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669132508 485720677 /nfs/dbraw/zinc/72/06/77/485720677.db2.gz SICSCBBTRJRXSN-INIZCTEOSA-N 1 3 334.464 1.568 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000669139210 485728793 /nfs/dbraw/zinc/72/87/93/485728793.db2.gz KXWYEZDFHQGNDZ-IBGZPJMESA-N 1 3 346.475 1.522 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000669420303 486139149 /nfs/dbraw/zinc/13/91/49/486139149.db2.gz IPQHHGMATCYARH-ZWKOTPCHSA-N 1 3 330.476 1.902 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000669420471 486140519 /nfs/dbraw/zinc/14/05/19/486140519.db2.gz MSBZZMUUCDXOFU-QZTJIDSGSA-N 1 3 330.476 1.889 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CCN1Cc1ccccc1 ZINC000379666812 486636844 /nfs/dbraw/zinc/63/68/44/486636844.db2.gz XQVSIWXMWABAGT-GDBMZVCRSA-N 1 3 342.447 1.020 20 0 EDADHO CN(C)CCOc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccn1 ZINC000136741209 491232282 /nfs/dbraw/zinc/23/22/82/491232282.db2.gz PVUQKRTVDYTVBV-UHFFFAOYSA-N 1 3 346.435 1.032 20 0 EDADHO C[NH+](C)C1CCN(CCNCc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657386297 491003667 /nfs/dbraw/zinc/00/36/67/491003667.db2.gz DISWYRSITQXVGZ-FQEVSTJZSA-N 1 3 347.503 1.970 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000683377299 491012782 /nfs/dbraw/zinc/01/27/82/491012782.db2.gz ZKSXXBALSSKWQF-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO COC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000080000322 491170158 /nfs/dbraw/zinc/17/01/58/491170158.db2.gz XJUPZDCDQXNEEJ-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO COC1CCN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000080000322 491170161 /nfs/dbraw/zinc/17/01/61/491170161.db2.gz XJUPZDCDQXNEEJ-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000080099229 491170567 /nfs/dbraw/zinc/17/05/67/491170567.db2.gz YDJYBCTVLUSBIL-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000080099229 491170572 /nfs/dbraw/zinc/17/05/72/491170572.db2.gz YDJYBCTVLUSBIL-HZPDHXFCSA-N 1 3 340.512 1.517 20 0 EDADHO COC1CCN(CCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000080055924 491170678 /nfs/dbraw/zinc/17/06/78/491170678.db2.gz YBUQNHNZEGCXHG-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1 ZINC000188711742 521802579 /nfs/dbraw/zinc/80/25/79/521802579.db2.gz MZQXRZVICPDNKQ-UHFFFAOYSA-N 1 3 329.404 1.248 20 0 EDADHO CCc1ccc([C@H](CNC(=O)c2[nH]nc3c2CNCC3)[NH+](C)C)cc1 ZINC000188693434 524049134 /nfs/dbraw/zinc/04/91/34/524049134.db2.gz FENGEMNFPKPRMI-KRWDZBQOSA-N 1 3 341.459 1.651 20 0 EDADHO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]nc2c1CNCC2 ZINC000188722647 526993673 /nfs/dbraw/zinc/99/36/73/526993673.db2.gz BCJNYSYACQCGPT-QGZVFWFLSA-N 1 3 339.443 1.622 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173943651 528458888 /nfs/dbraw/zinc/45/88/88/528458888.db2.gz KWAATLRKUSDCKC-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3C[C@H]3C(F)F)CC2)CC1 ZINC000344728237 536339789 /nfs/dbraw/zinc/33/97/89/536339789.db2.gz WJDUKGOXBVUZGD-KGLIPLIRSA-N 1 3 330.423 1.498 20 0 EDADHO CO[C@@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339545340 536594348 /nfs/dbraw/zinc/59/43/48/536594348.db2.gz JWNXUTBKBYLENK-QZTJIDSGSA-N 1 3 337.508 1.866 20 0 EDADHO COc1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227824 536750246 /nfs/dbraw/zinc/75/02/46/536750246.db2.gz WLXMHTMIOSBQNN-MRXNPFEDSA-N 1 3 349.475 1.769 20 0 EDADHO CN(C)C1(CNC(=S)NCCC[NH+](C)C)Cc2ccccc2C1 ZINC000741484649 579419403 /nfs/dbraw/zinc/41/94/03/579419403.db2.gz QVBRMKMNEJDIND-UHFFFAOYSA-N 1 3 334.533 1.501 20 0 EDADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732677807 578723066 /nfs/dbraw/zinc/72/30/66/578723066.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 1 3 336.480 1.118 20 0 EDADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000732677807 578723067 /nfs/dbraw/zinc/72/30/67/578723067.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 1 3 336.480 1.118 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000782911346 580587973 /nfs/dbraw/zinc/58/79/73/580587973.db2.gz YGEJTAWQPAJJBX-IYBDPMFKSA-N 1 3 341.455 1.994 20 0 EDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786828678 580680490 /nfs/dbraw/zinc/68/04/90/580680490.db2.gz HZTHJDQEMXHDQR-CQSZACIVSA-N 1 3 332.448 1.324 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856006 590657032 /nfs/dbraw/zinc/65/70/32/590657032.db2.gz NPDQDYSDQVAQNY-HNNXBMFYSA-N 1 3 326.485 1.448 20 0 EDADHO CCN(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000891865881 590662171 /nfs/dbraw/zinc/66/21/71/590662171.db2.gz XFGHUOCWJHOWJV-QZTJIDSGSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892087690 590791898 /nfs/dbraw/zinc/79/18/98/590791898.db2.gz HUYHBCLMWDRXKA-JKSUJKDBSA-N 1 3 326.485 1.256 20 0 EDADHO C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CNCCC3(F)F)CC2)CC1 ZINC000892157490 590829513 /nfs/dbraw/zinc/82/95/13/590829513.db2.gz STMLGWYTQDQWLI-CYBMUJFWSA-N 1 3 330.423 1.501 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000892283487 590913433 /nfs/dbraw/zinc/91/34/33/590913433.db2.gz PQCROXYEPXWXOL-QGZVFWFLSA-N 1 3 334.464 1.105 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CCN1C ZINC000892343935 590972137 /nfs/dbraw/zinc/97/21/37/590972137.db2.gz XJACEELBZKELBE-RHSMWYFYSA-N 1 3 330.476 1.956 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892414719 591018569 /nfs/dbraw/zinc/01/85/69/591018569.db2.gz PSHBFIWAKZZGRX-SJORKVTESA-N 1 3 348.491 1.091 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446661 591031452 /nfs/dbraw/zinc/03/14/52/591031452.db2.gz MXLWTQOJEHAUGT-WKILWMFISA-N 1 3 333.480 1.672 20 0 EDADHO CN1CCN(CCCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563631 591074605 /nfs/dbraw/zinc/07/46/05/591074605.db2.gz SWEZMWGNWZXGID-HZPDHXFCSA-N 1 3 329.460 1.237 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891493219 591094208 /nfs/dbraw/zinc/09/42/08/591094208.db2.gz OKPYWAGRRKUJPH-SHTZXODSSA-N 1 3 326.485 1.304 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000891547103 591117707 /nfs/dbraw/zinc/11/77/07/591117707.db2.gz XSKITPVMOZWVHX-GJZGRUSLSA-N 1 3 340.537 1.869 20 0 EDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000891547102 591118038 /nfs/dbraw/zinc/11/80/38/591118038.db2.gz XSKITPVMOZWVHX-CABCVRRESA-N 1 3 340.537 1.869 20 0 EDADHO CN1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[C@@H]1c1ccccc1 ZINC000893873941 591124532 /nfs/dbraw/zinc/12/45/32/591124532.db2.gz DUDGFTNCEKUTML-MHORFTMASA-N 1 3 328.460 1.777 20 0 EDADHO CN(C)C1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000891597368 591142521 /nfs/dbraw/zinc/14/25/21/591142521.db2.gz NSZYWWWIRLLSQU-MSOLQXFVSA-N 1 3 342.487 1.622 20 0 EDADHO CN1CCC[C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597408 591142581 /nfs/dbraw/zinc/14/25/81/591142581.db2.gz OSLKJMUFBRZLFA-ORIJERBGSA-N 1 3 334.489 1.887 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000891639433 591163031 /nfs/dbraw/zinc/16/30/31/591163031.db2.gz RFTYRYRUJMLCBK-BBRMVZONSA-N 1 3 328.526 1.501 20 0 EDADHO C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1Cc1ccccc1 ZINC000891655490 591170941 /nfs/dbraw/zinc/17/09/41/591170941.db2.gz MSNFQGLSNKYEGA-RANZSIQMSA-N 1 3 328.460 1.795 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CN1C1CC1 ZINC000891658961 591172343 /nfs/dbraw/zinc/17/23/43/591172343.db2.gz BXRYEWCSQDWTFA-HNCHTBHHSA-N 1 3 334.386 1.390 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000892808407 591187083 /nfs/dbraw/zinc/18/70/83/591187083.db2.gz BAMRRXSXCDDRRM-MOPGFXCFSA-N 1 3 342.487 1.971 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891749694 591209610 /nfs/dbraw/zinc/20/96/10/591209610.db2.gz VFNZQWMWEIOPTA-PKOBYXMFSA-N 1 3 343.475 1.882 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H]2CCCN2CCOC)C1 ZINC000892943108 591232554 /nfs/dbraw/zinc/23/25/54/591232554.db2.gz DHWIUIMOSJQIPX-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)C2)CC1 ZINC000892948226 591235388 /nfs/dbraw/zinc/23/53/88/591235388.db2.gz OKLVXDIJRAAGKS-USXIJHARSA-N 1 3 341.471 1.378 20 0 EDADHO C[C@@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000895666103 591246836 /nfs/dbraw/zinc/24/68/36/591246836.db2.gz KFTPMRMIPNUDNA-HOTGVXAUSA-N 1 3 335.496 1.584 20 0 EDADHO C[C@@H](Cc1cccnc1)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000895666103 591246837 /nfs/dbraw/zinc/24/68/37/591246837.db2.gz KFTPMRMIPNUDNA-HOTGVXAUSA-N 1 3 335.496 1.584 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692385 591250643 /nfs/dbraw/zinc/25/06/43/591250643.db2.gz QPIPFKJCIMWLRY-SJORKVTESA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@H+](CC1CCN(C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692385 591250645 /nfs/dbraw/zinc/25/06/45/591250645.db2.gz QPIPFKJCIMWLRY-SJORKVTESA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@@H+](CC1CCN(C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692385 591250647 /nfs/dbraw/zinc/25/06/47/591250647.db2.gz QPIPFKJCIMWLRY-SJORKVTESA-N 1 3 344.471 1.910 20 0 EDADHO CN1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c2ccncc2n1 ZINC000895768496 591269000 /nfs/dbraw/zinc/26/90/00/591269000.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 1 3 326.448 1.862 20 0 EDADHO CN1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c2ccncc2n1 ZINC000895768496 591269001 /nfs/dbraw/zinc/26/90/01/591269001.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 1 3 326.448 1.862 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)N(C)C)cc1 ZINC000895934782 591308019 /nfs/dbraw/zinc/30/80/19/591308019.db2.gz FOJATASDEWEELP-LJQANCHMSA-N 1 3 345.487 1.825 20 0 EDADHO CN1CC[NH+](CC2CCN(Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000894765775 591414434 /nfs/dbraw/zinc/41/44/34/591414434.db2.gz MZSCNUGOGNSDGS-UHFFFAOYSA-N 1 3 343.475 1.728 20 0 EDADHO CCCSC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000894896279 591463363 /nfs/dbraw/zinc/46/33/63/591463363.db2.gz UIABQBKCNOZVPX-MRXNPFEDSA-N 1 3 329.554 1.904 20 0 EDADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cnc[nH]3)cc2)CC1 ZINC000895011426 591522405 /nfs/dbraw/zinc/52/24/05/591522405.db2.gz HNTZRFPMBPQVOM-UHFFFAOYSA-N 1 3 327.432 1.397 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000899201359 591727632 /nfs/dbraw/zinc/72/76/32/591727632.db2.gz UASMFNGMFBLPPO-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1 ZINC000898333309 591875068 /nfs/dbraw/zinc/87/50/68/591875068.db2.gz RAZBXIZYRYJDKS-UHFFFAOYSA-N 1 3 346.431 1.069 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000900273223 591976021 /nfs/dbraw/zinc/97/60/21/591976021.db2.gz VCJYXERRVNRZBG-GOSISDBHSA-N 1 3 338.540 1.641 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900299783 591979899 /nfs/dbraw/zinc/97/98/99/591979899.db2.gz JWCDWFJJVSGMJE-IEBWSBKVSA-N 1 3 333.476 1.122 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900299783 591979901 /nfs/dbraw/zinc/97/99/01/591979901.db2.gz JWCDWFJJVSGMJE-IEBWSBKVSA-N 1 3 333.476 1.122 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NCc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000902350863 591984944 /nfs/dbraw/zinc/98/49/44/591984944.db2.gz BYNKDOPOFNBSTC-HNNXBMFYSA-N 1 3 325.478 1.926 20 0 EDADHO N=C(NOCc1ncnn1-c1ccccc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806380 592062951 /nfs/dbraw/zinc/06/29/51/592062951.db2.gz RNLSSRCPIKUZOQ-LSDHHAIUSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCc1ncnn1-c1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806380 592062955 /nfs/dbraw/zinc/06/29/55/592062955.db2.gz RNLSSRCPIKUZOQ-LSDHHAIUSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCC(=O)Nc1cccc(F)c1)[C@H]1CN2CCC[C@H]2CO1 ZINC000902811176 592068366 /nfs/dbraw/zinc/06/83/66/592068366.db2.gz MLPSHICEBNCUGW-UONOGXRCSA-N 1 3 336.367 1.126 20 0 EDADHO N=C(NOCC(=O)Nc1cccc(F)c1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811176 592068367 /nfs/dbraw/zinc/06/83/67/592068367.db2.gz MLPSHICEBNCUGW-UONOGXRCSA-N 1 3 336.367 1.126 20 0 EDADHO N=C(NOCC(=O)Nc1cccc(F)c1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902811176 592068369 /nfs/dbraw/zinc/06/83/69/592068369.db2.gz MLPSHICEBNCUGW-UONOGXRCSA-N 1 3 336.367 1.126 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000900708283 592100709 /nfs/dbraw/zinc/10/07/09/592100709.db2.gz IDQDGNZOEMABPK-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000900708283 592100710 /nfs/dbraw/zinc/10/07/10/592100710.db2.gz IDQDGNZOEMABPK-MSOLQXFVSA-N 1 3 336.524 1.488 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000900730241 592110831 /nfs/dbraw/zinc/11/08/31/592110831.db2.gz DAMSJKBUUTWSKV-SFHVURJKSA-N 1 3 338.540 1.783 20 0 EDADHO CC(C)[C@@H]1CN(C)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900788093 592123720 /nfs/dbraw/zinc/12/37/20/592123720.db2.gz UMTOGIUNLOKRKC-SFHVURJKSA-N 1 3 338.540 1.591 20 0 EDADHO c1cc(CCN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)sn1 ZINC000903464233 592172473 /nfs/dbraw/zinc/17/24/73/592172473.db2.gz DZTKPXONPKANRM-AWEZNQCLSA-N 1 3 346.504 1.698 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511147 592191035 /nfs/dbraw/zinc/19/10/35/592191035.db2.gz QKTJDZZHZQYESE-NXHRZFHOSA-N 1 3 334.508 1.288 20 0 EDADHO C[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511147 592191036 /nfs/dbraw/zinc/19/10/36/592191036.db2.gz QKTJDZZHZQYESE-NXHRZFHOSA-N 1 3 334.508 1.288 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024255 592202557 /nfs/dbraw/zinc/20/25/57/592202557.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 1 3 338.540 1.638 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000901024255 592202558 /nfs/dbraw/zinc/20/25/58/592202558.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 1 3 338.540 1.638 20 0 EDADHO [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)CCCN2CCCC2)CCC1 ZINC000903547938 592205231 /nfs/dbraw/zinc/20/52/31/592205231.db2.gz YAKRSPXQRBGMLR-MRXNPFEDSA-N 1 3 343.537 1.786 20 0 EDADHO CC(C)(C)CC[C@@H]([NH3+])CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000904362202 592238163 /nfs/dbraw/zinc/23/81/63/592238163.db2.gz IJRBRAWGDZMELW-CYBMUJFWSA-N 1 3 331.526 1.686 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n(C2CCN(C)CC2)n1 ZINC000904367033 592238817 /nfs/dbraw/zinc/23/88/17/592238817.db2.gz UPVAXPLEAIRYQE-NWANDNLSSA-N 1 3 332.452 1.473 20 0 EDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1CN ZINC000906658115 592240224 /nfs/dbraw/zinc/24/02/24/592240224.db2.gz VMUHPFOEJQNTOL-OAHLLOKOSA-N 1 3 332.448 1.417 20 0 EDADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1CN ZINC000906658115 592240227 /nfs/dbraw/zinc/24/02/27/592240227.db2.gz VMUHPFOEJQNTOL-OAHLLOKOSA-N 1 3 332.448 1.417 20 0 EDADHO [NH3+][C@@H]1CN(Cc2ccc(N3CCNCC3)o2)C[C@H]1c1ccccc1F ZINC000904373801 592241428 /nfs/dbraw/zinc/24/14/28/592241428.db2.gz WPEFBXQLYKKDRL-FUHWJXTLSA-N 1 3 344.434 1.755 20 0 EDADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664592 592246803 /nfs/dbraw/zinc/24/68/03/592246803.db2.gz MFGDCUISEGFXES-XJKSGUPXSA-N 1 3 344.459 1.514 20 0 EDADHO CC[C@@H](C(=O)NC[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)N(C)C ZINC000907979068 592247266 /nfs/dbraw/zinc/24/72/66/592247266.db2.gz DEGJDKILPHLISC-RLFYNMQTSA-N 1 3 340.512 1.022 20 0 EDADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906669025 592250725 /nfs/dbraw/zinc/25/07/25/592250725.db2.gz DXFZBYVVNALZIY-UKRRQHHQSA-N 1 3 330.432 1.169 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC3(C4CC[NH2+]CC4)CC3)n2)CC1 ZINC000904457426 592265598 /nfs/dbraw/zinc/26/55/98/592265598.db2.gz OEECUORLCRNABG-UHFFFAOYSA-N 1 3 346.479 1.804 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000901173241 592275943 /nfs/dbraw/zinc/27/59/43/592275943.db2.gz GLUXXVYCFJUOTR-UHFFFAOYSA-N 1 3 338.540 1.639 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904535365 592280809 /nfs/dbraw/zinc/28/08/09/592280809.db2.gz IQUJIDOVUYGVLI-KSSFIOAISA-N 1 3 346.479 1.885 20 0 EDADHO c1ccc(CN2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733244 592281508 /nfs/dbraw/zinc/28/15/08/592281508.db2.gz LIOMNSJMYSLXLC-WOJBJXKFSA-N 1 3 329.488 1.963 20 0 EDADHO O=C1C[C@H](c2ccccc2)N(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723326 592284184 /nfs/dbraw/zinc/28/41/84/592284184.db2.gz VGOJZQQKTTYQBA-YQVWRLOYSA-N 1 3 329.444 1.318 20 0 EDADHO CCN(Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730779 592286963 /nfs/dbraw/zinc/28/69/63/592286963.db2.gz ZEBZBHPRFCWTIJ-AZUAARDMSA-N 1 3 345.487 1.979 20 0 EDADHO c1nnc([C@@H]2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751341 592295558 /nfs/dbraw/zinc/29/55/58/592295558.db2.gz CZQSQYOBARNZPQ-UWWQBHOKSA-N 1 3 331.464 1.561 20 0 EDADHO CCOCCN1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739677 592301561 /nfs/dbraw/zinc/30/15/61/592301561.db2.gz NXQJYBATGSVRMB-MSOLQXFVSA-N 1 3 339.524 1.578 20 0 EDADHO C[C@@H]1CC2(CN1CCS(=O)(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000903763796 592308932 /nfs/dbraw/zinc/30/89/32/592308932.db2.gz NBJGVZUPKFKFDT-OAHLLOKOSA-N 1 3 337.489 1.892 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903803698 592327770 /nfs/dbraw/zinc/32/77/70/592327770.db2.gz ZVOSYFRCGXHSAV-NSHGMRRFSA-N 1 3 344.503 1.609 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)C1 ZINC000908115092 592328499 /nfs/dbraw/zinc/32/84/99/592328499.db2.gz KLOIHQFTZDMZQK-BZSNNMDCSA-N 1 3 337.508 1.820 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](OC)C[C@H]2CN2CCCC2)C1 ZINC000908115092 592328502 /nfs/dbraw/zinc/32/85/02/592328502.db2.gz KLOIHQFTZDMZQK-BZSNNMDCSA-N 1 3 337.508 1.820 20 0 EDADHO CCCC(=O)NC[C@H]1CCCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888578 592351657 /nfs/dbraw/zinc/35/16/57/592351657.db2.gz GLYRZQOIXRYYLC-IAGOWNOFSA-N 1 3 349.523 1.474 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886039 592364016 /nfs/dbraw/zinc/36/40/16/592364016.db2.gz QUKPHSBVLVCDMT-DLBZAZTESA-N 1 3 347.507 1.084 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000908201318 592378320 /nfs/dbraw/zinc/37/83/20/592378320.db2.gz DTPOASNCCJJASI-OALUTQOASA-N 1 3 345.487 1.439 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H](C(=O)NC(C)C)C2)cnn1C ZINC000903932984 592384657 /nfs/dbraw/zinc/38/46/57/592384657.db2.gz JEEHXSAUDATWIS-HOTGVXAUSA-N 1 3 335.496 1.083 20 0 EDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1OCCc2sccc21 ZINC000903947560 592394702 /nfs/dbraw/zinc/39/47/02/592394702.db2.gz AWQOFSJWHYOSJD-UKRRQHHQSA-N 1 3 337.489 1.491 20 0 EDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C[C@H]1OCCc2sccc21 ZINC000903947560 592394707 /nfs/dbraw/zinc/39/47/07/592394707.db2.gz AWQOFSJWHYOSJD-UKRRQHHQSA-N 1 3 337.489 1.491 20 0 EDADHO c1nc2ccccn2c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980552 592400068 /nfs/dbraw/zinc/40/00/68/592400068.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 1 3 325.460 1.735 20 0 EDADHO c1nc2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980552 592400071 /nfs/dbraw/zinc/40/00/71/592400071.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 1 3 325.460 1.735 20 0 EDADHO c1nc2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980552 592400075 /nfs/dbraw/zinc/40/00/75/592400075.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 1 3 325.460 1.735 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000905111214 592411838 /nfs/dbraw/zinc/41/18/38/592411838.db2.gz URMYWEPQUWTTPF-IHPCNDPISA-N 1 3 347.503 1.229 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908364422 592466342 /nfs/dbraw/zinc/46/63/42/592466342.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000908364422 592466345 /nfs/dbraw/zinc/46/63/45/592466345.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905330674 592507896 /nfs/dbraw/zinc/50/78/96/592507896.db2.gz WBFNNFCIBZMXQC-KRWDZBQOSA-N 1 3 339.505 1.729 20 0 EDADHO CN1CCN(C)CC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000908491770 592508150 /nfs/dbraw/zinc/50/81/50/592508150.db2.gz SYNRKXBBHIKEFH-UHFFFAOYSA-N 1 3 336.524 1.251 20 0 EDADHO CN1CCN(C)CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000907195998 592542500 /nfs/dbraw/zinc/54/25/00/592542500.db2.gz JLPRLVOEOHHPKZ-UHFFFAOYSA-N 1 3 344.503 1.757 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496379 592553687 /nfs/dbraw/zinc/55/36/87/592553687.db2.gz SCZFICBYKOLDTC-HSFUPAIVSA-N 1 3 340.508 1.112 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690494 592605783 /nfs/dbraw/zinc/60/57/83/592605783.db2.gz PYZBIIUIGPDPKV-UMVBOHGHSA-N 1 3 327.469 1.334 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)C1CC1 ZINC000905690494 592605787 /nfs/dbraw/zinc/60/57/87/592605787.db2.gz PYZBIIUIGPDPKV-UMVBOHGHSA-N 1 3 327.469 1.334 20 0 EDADHO C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000907446814 592659913 /nfs/dbraw/zinc/65/99/13/592659913.db2.gz KUKOXFJHQAMZQT-IPELMVKDSA-N 1 3 333.476 1.641 20 0 EDADHO C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000907446814 592659917 /nfs/dbraw/zinc/65/99/17/592659917.db2.gz KUKOXFJHQAMZQT-IPELMVKDSA-N 1 3 333.476 1.641 20 0 EDADHO CCN1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000910266391 592813771 /nfs/dbraw/zinc/81/37/71/592813771.db2.gz MNLFHAVIJGIMAH-MRXNPFEDSA-N 1 3 325.497 1.678 20 0 EDADHO N[C@@H](Cc1cc[nH]n1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911636463 592961587 /nfs/dbraw/zinc/96/15/87/592961587.db2.gz PXKARIWPRVOHTN-KRWDZBQOSA-N 1 3 327.432 1.014 20 0 EDADHO N[C@@H](Cc1cc[nH]n1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000911636463 592961590 /nfs/dbraw/zinc/96/15/90/592961590.db2.gz PXKARIWPRVOHTN-KRWDZBQOSA-N 1 3 327.432 1.014 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000911671939 592975499 /nfs/dbraw/zinc/97/54/99/592975499.db2.gz FPNZRPPBXSLIHM-YVMONPNESA-N 1 3 331.460 1.756 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)CC[C@@H](N)C(=O)N2 ZINC000911682848 592981197 /nfs/dbraw/zinc/98/11/97/592981197.db2.gz PYDLNGZYNIUPAH-OAHLLOKOSA-N 1 3 338.411 1.870 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000911692781 592983262 /nfs/dbraw/zinc/98/32/62/592983262.db2.gz WYNPDFMYCMWNNP-TWGQIWQCSA-N 1 3 331.460 1.851 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000911707639 592992024 /nfs/dbraw/zinc/99/20/24/592992024.db2.gz OSRWXRVOIAIYQK-JEZWAEDTSA-N 1 3 331.460 1.838 20 0 EDADHO N[C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000911755254 592998383 /nfs/dbraw/zinc/99/83/83/592998383.db2.gz QPCVKBARWNIPRB-KBPBESRZSA-N 1 3 340.265 1.577 20 0 EDADHO CCCN(C(=O)c1ccc2c(c1)CC[C@H](N)C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911769394 593001367 /nfs/dbraw/zinc/00/13/67/593001367.db2.gz VPCOGOYEUWCIDP-CABCVRRESA-N 1 3 330.432 1.113 20 0 EDADHO N[C@@H](CC(=O)NCC[C@H]1CC[NH2+]C1)Cc1cc(F)c(F)cc1F ZINC000911774393 593002586 /nfs/dbraw/zinc/00/25/86/593002586.db2.gz HNIXBMNCALFYDC-ZYHUDNBSSA-N 1 3 329.366 1.480 20 0 EDADHO C[C@@H]1CN(C(=O)/C=C\c2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000911819672 593016434 /nfs/dbraw/zinc/01/64/34/593016434.db2.gz QBCGLBAKUJFIMJ-YANQBMCKSA-N 1 3 331.460 1.836 20 0 EDADHO C=COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000839527814 593316297 /nfs/dbraw/zinc/31/62/97/593316297.db2.gz OCJZPRGDMOBGHD-UHFFFAOYSA-N 1 3 348.447 1.099 20 0 EDADHO CN(C)C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000806592782 593458769 /nfs/dbraw/zinc/45/87/69/593458769.db2.gz DISJHMGFUDXQKX-MRXNPFEDSA-N 1 3 338.496 1.987 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000818637833 593709716 /nfs/dbraw/zinc/70/97/16/593709716.db2.gz KLIGRYWPVGVQGK-AWEZNQCLSA-N 1 3 332.448 1.383 20 0 EDADHO O[C@@H](C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000818964919 593730842 /nfs/dbraw/zinc/73/08/42/593730842.db2.gz LGGJYOZRKXRBPS-FQEVSTJZSA-N 1 3 331.504 1.945 20 0 EDADHO COCCOC[C@H](O)C[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000818983015 593732274 /nfs/dbraw/zinc/73/22/74/593732274.db2.gz AQVDBCKAPCNAFG-GOSISDBHSA-N 1 3 328.497 1.645 20 0 EDADHO C[NH+](C)CCOc1cc(CNC[C@H](O)c2cccc(F)c2)ccn1 ZINC000819195958 593743883 /nfs/dbraw/zinc/74/38/83/593743883.db2.gz NFTHJRSAOFRHNK-KRWDZBQOSA-N 1 3 333.407 1.984 20 0 EDADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C[C@H](O)C3CC3)cc2)CC1 ZINC000819369236 593752231 /nfs/dbraw/zinc/75/22/31/593752231.db2.gz WKOPFKMXZKJMRN-SFHVURJKSA-N 1 3 331.460 1.244 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819387540 593753048 /nfs/dbraw/zinc/75/30/48/593753048.db2.gz AIWHYBCWQKDDBR-QGZVFWFLSA-N 1 3 327.419 1.614 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncccn1 ZINC000822987083 594132250 /nfs/dbraw/zinc/13/22/50/594132250.db2.gz LPTGBXVHZWEUQY-HNNXBMFYSA-N 1 3 334.468 1.034 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ncccn1 ZINC000822987083 594132251 /nfs/dbraw/zinc/13/22/51/594132251.db2.gz LPTGBXVHZWEUQY-HNNXBMFYSA-N 1 3 334.468 1.034 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000823420601 594200114 /nfs/dbraw/zinc/20/01/14/594200114.db2.gz QUCOMJBCIDHIOK-ZDUSSCGKSA-N 1 3 348.447 1.751 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000823420601 594200115 /nfs/dbraw/zinc/20/01/15/594200115.db2.gz QUCOMJBCIDHIOK-ZDUSSCGKSA-N 1 3 348.447 1.751 20 0 EDADHO Cc1cccc(C(=O)C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000827892507 594298834 /nfs/dbraw/zinc/29/88/34/594298834.db2.gz LWMVWCJLSRDLLG-IAGOWNOFSA-N 1 3 331.460 1.376 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841018656 594840140 /nfs/dbraw/zinc/84/01/40/594840140.db2.gz ZUNDENREVFTLOG-UHFFFAOYSA-N 1 3 331.464 1.656 20 0 EDADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841790453 594953410 /nfs/dbraw/zinc/95/34/10/594953410.db2.gz WPEPKFOCMUCGIM-IRXDYDNUSA-N 1 3 338.496 1.400 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C(C)(C)C[NH3+])n3)cn2)CC1 ZINC000843204443 595034047 /nfs/dbraw/zinc/03/40/47/595034047.db2.gz ANPSDXNWWKSUNT-UHFFFAOYSA-N 1 3 330.436 1.510 20 0 EDADHO C[NH+]1CCC2(CC1)CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CCO2 ZINC000844095427 595270958 /nfs/dbraw/zinc/27/09/58/595270958.db2.gz WJDUIBBPOWPFQL-GOSISDBHSA-N 1 3 341.471 1.522 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170664 595290295 /nfs/dbraw/zinc/29/02/95/595290295.db2.gz LBNSOIMAHRNNQI-QZTJIDSGSA-N 1 3 331.460 1.316 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CCOC3=O)CC2)CC1 ZINC000848104510 595319059 /nfs/dbraw/zinc/31/90/59/595319059.db2.gz RELDLUZXHJDRCC-SFHVURJKSA-N 1 3 337.464 1.005 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901482 595410599 /nfs/dbraw/zinc/41/05/99/595410599.db2.gz FSGDSGRDHJAFEJ-RCCFBDPRSA-N 1 3 341.459 1.986 20 0 EDADHO COC(=O)/C=C/c1ccc(CNCCN2CCC([NH+](C)C)CC2)o1 ZINC000848900310 595464756 /nfs/dbraw/zinc/46/47/56/595464756.db2.gz DETCRYCMARLEHZ-VOTSOKGWSA-N 1 3 335.448 1.581 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(Cl)n1C ZINC000848911721 595466755 /nfs/dbraw/zinc/46/67/55/595466755.db2.gz XOMZDKYZPQLOGZ-CQSZACIVSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(Cl)n1C ZINC000848911721 595466756 /nfs/dbraw/zinc/46/67/56/595466756.db2.gz XOMZDKYZPQLOGZ-CQSZACIVSA-N 1 3 327.904 1.921 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018782 595474927 /nfs/dbraw/zinc/47/49/27/595474927.db2.gz ADUCXAFVXCFWSW-AWEZNQCLSA-N 1 3 339.484 1.452 20 0 EDADHO COc1ccc(CCNC(=[NH2+])NCCN2CC[C@@H](C)C2)cc1OC ZINC000849096786 595481160 /nfs/dbraw/zinc/48/11/60/595481160.db2.gz VMPVWIDCYRFJDF-CQSZACIVSA-N 1 3 334.464 1.702 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=[NH2+])NC2CCC2)CC1 ZINC000849110944 595483611 /nfs/dbraw/zinc/48/36/11/595483611.db2.gz PNTLKNAOWGOMMH-UHFFFAOYSA-N 1 3 329.492 1.991 20 0 EDADHO [NH2+]=C(NCC1(O)CCN(Cc2ccccc2)CC1)N1CCSCC1 ZINC000849117705 595484954 /nfs/dbraw/zinc/48/49/54/595484954.db2.gz RAKHPMDQIUGYTN-UHFFFAOYSA-N 1 3 348.516 1.587 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118058 595484970 /nfs/dbraw/zinc/48/49/70/595484970.db2.gz IFVIXKYIAZWIRY-AWEZNQCLSA-N 1 3 326.485 1.152 20 0 EDADHO CN(C)CCNC(=S)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849291844 595502507 /nfs/dbraw/zinc/50/25/07/595502507.db2.gz JJSNDONPWVFNLB-QGZVFWFLSA-N 1 3 334.533 1.671 20 0 EDADHO CN(C)CCNC(=S)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000849291844 595502508 /nfs/dbraw/zinc/50/25/08/595502508.db2.gz JJSNDONPWVFNLB-QGZVFWFLSA-N 1 3 334.533 1.671 20 0 EDADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592907 /nfs/dbraw/zinc/59/29/07/595592907.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 1 3 333.480 1.008 20 0 EDADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592908 /nfs/dbraw/zinc/59/29/08/595592908.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 1 3 333.480 1.008 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000855346293 595680545 /nfs/dbraw/zinc/68/05/45/595680545.db2.gz VMRMOVCNISPNDQ-LPHOPBHVSA-N 1 3 335.492 1.672 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@](C)(O)c1ccccc1 ZINC000855346293 595680547 /nfs/dbraw/zinc/68/05/47/595680547.db2.gz VMRMOVCNISPNDQ-LPHOPBHVSA-N 1 3 335.492 1.672 20 0 EDADHO [NH3+]C[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000851670685 595878508 /nfs/dbraw/zinc/87/85/08/595878508.db2.gz XETRBLFNLBSUMV-GOSISDBHSA-N 1 3 345.491 1.674 20 0 EDADHO CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000856411548 595982273 /nfs/dbraw/zinc/98/22/73/595982273.db2.gz WJVLZMFPLLPVAP-SFHVURJKSA-N 1 3 349.519 1.963 20 0 EDADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861718911 596079697 /nfs/dbraw/zinc/07/96/97/596079697.db2.gz SPPIYNYCXPOYKE-MSOLQXFVSA-N 1 3 345.487 1.327 20 0 EDADHO CN(C)C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000861718911 596079701 /nfs/dbraw/zinc/07/97/01/596079701.db2.gz SPPIYNYCXPOYKE-MSOLQXFVSA-N 1 3 345.487 1.327 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(CC[C@H]2CC2(Cl)Cl)C1 ZINC000866711053 596303802 /nfs/dbraw/zinc/30/38/02/596303802.db2.gz AOLPVBPBSSQVDT-YFKTTZPYSA-N 1 3 334.247 1.437 20 0 EDADHO C[C@H]1C[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1C ZINC000123391361 596396853 /nfs/dbraw/zinc/39/68/53/596396853.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 1 3 325.478 1.291 20 0 EDADHO C[C@H]1C[C@@H](N(C)CCc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1C ZINC000123391361 596396854 /nfs/dbraw/zinc/39/68/54/596396854.db2.gz VTXCOHDTDGVTJT-ZFWWWQNUSA-N 1 3 325.478 1.291 20 0 EDADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000870975766 596423263 /nfs/dbraw/zinc/42/32/63/596423263.db2.gz BBERFJLJWIDBJK-AKHDSKFASA-N 1 3 342.487 1.940 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N3C4CCC3(C[NH3+])CC4)n2)CC1 ZINC000868155272 596704577 /nfs/dbraw/zinc/70/45/77/596704577.db2.gz LVIMUEJUQAXRFD-UHFFFAOYSA-N 1 3 332.452 1.637 20 0 EDADHO CC(C)(O)CN1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868175322 596711349 /nfs/dbraw/zinc/71/13/49/596711349.db2.gz AEPUVWDFMJDOFH-HRCADAONSA-N 1 3 332.448 1.468 20 0 EDADHO C[NH2+]C1(CNC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CCC1 ZINC000863921469 596716920 /nfs/dbraw/zinc/71/69/20/596716920.db2.gz HUQMBWWXMMMXOY-SJORKVTESA-N 1 3 347.507 1.492 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000876144453 597110647 /nfs/dbraw/zinc/11/06/47/597110647.db2.gz DPWXCYWAAFZCRY-MRXNPFEDSA-N 1 3 340.512 1.328 20 0 EDADHO COC(=O)C1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873215468 597230322 /nfs/dbraw/zinc/23/03/22/597230322.db2.gz AYKVFEXVJNCECC-UHFFFAOYSA-N 1 3 343.431 1.547 20 0 EDADHO CCC[NH+]1CCC(NCc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873218332 597231134 /nfs/dbraw/zinc/23/11/34/597231134.db2.gz CZLOJJDPSHKMDG-UHFFFAOYSA-N 1 3 328.464 1.690 20 0 EDADHO CCCN1CCC([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)CC1 ZINC000873218332 597231136 /nfs/dbraw/zinc/23/11/36/597231136.db2.gz CZLOJJDPSHKMDG-UHFFFAOYSA-N 1 3 328.464 1.690 20 0 EDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228485 597234137 /nfs/dbraw/zinc/23/41/37/597234137.db2.gz FHASRNCRVGBSCS-AGIUHOORSA-N 1 3 337.386 1.225 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228485 597234139 /nfs/dbraw/zinc/23/41/39/597234139.db2.gz FHASRNCRVGBSCS-AGIUHOORSA-N 1 3 337.386 1.225 20 0 EDADHO NCc1cn(-c2cccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)nn1 ZINC000873244385 597237734 /nfs/dbraw/zinc/23/77/34/597237734.db2.gz RMTSKYNMRZXFGI-RBUKOAKNSA-N 1 3 334.427 1.960 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736359 597313815 /nfs/dbraw/zinc/31/38/15/597313815.db2.gz JXZQUKMGHGGLHJ-XJKSGUPXSA-N 1 3 327.432 1.444 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875887 597365655 /nfs/dbraw/zinc/36/56/55/597365655.db2.gz DIBPSXGWHHWEEV-QZTJIDSGSA-N 1 3 335.467 1.957 20 0 EDADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2ccc(F)cc2)CC1 ZINC000876965048 597400292 /nfs/dbraw/zinc/40/02/92/597400292.db2.gz ZRSFIVGTIUWSDA-UHFFFAOYSA-N 1 3 337.439 1.380 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)COC1(C)C[NH2+]C1 ZINC000877031536 597417308 /nfs/dbraw/zinc/41/73/08/597417308.db2.gz XGFNKSXFEQLSQK-NVXWUHKLSA-N 1 3 329.444 1.508 20 0 EDADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC000877207384 597462619 /nfs/dbraw/zinc/46/26/19/597462619.db2.gz UVPPRXGMEJOFBV-ZIAGYGMSSA-N 1 3 342.447 1.215 20 0 EDADHO c1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987079 597608863 /nfs/dbraw/zinc/60/88/63/597608863.db2.gz RVOBLXDKCCPFIZ-KRWDZBQOSA-N 1 3 330.476 1.589 20 0 EDADHO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000879590775 597647287 /nfs/dbraw/zinc/64/72/87/597647287.db2.gz DNWGFFFMDQBFMX-IBGZPJMESA-N 1 3 347.503 1.447 20 0 EDADHO O=C1N[C@@H]2CN(C[C@H]3CCC4(CCC4)O3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000883433788 597745107 /nfs/dbraw/zinc/74/51/07/597745107.db2.gz YXDXLYMVTIMTIL-ZACQAIPSSA-N 1 3 348.491 1.308 20 0 EDADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000884220328 598033420 /nfs/dbraw/zinc/03/34/20/598033420.db2.gz OMJHDHFFPFQQME-KRWDZBQOSA-N 1 3 344.459 1.578 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000914069730 695065245 /nfs/dbraw/zinc/06/52/45/695065245.db2.gz ZITFCMQGYFRFIA-GOEBONIOSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1)N1CCCCC1 ZINC000992690994 695207962 /nfs/dbraw/zinc/20/79/62/695207962.db2.gz MSRHSUWZMMEJBE-GVDBMIGSSA-N 1 3 337.508 1.460 20 0 EDADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992850180 695407040 /nfs/dbraw/zinc/40/70/40/695407040.db2.gz BMMQANWFCOKFJZ-YESZJQIVSA-N 1 3 325.472 1.905 20 0 EDADHO O=C(N1C[C@@H]2CCC[C@@H](NCc3ccon3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000992853185 695408814 /nfs/dbraw/zinc/40/88/14/695408814.db2.gz DXDRADMJUKAJOW-USXIJHARSA-N 1 3 344.459 1.487 20 0 EDADHO C[C@@H]1CN(C(=O)c2ccnn2CCN(C)C)CCN1c1cc[nH+]cc1 ZINC000915260678 695775064 /nfs/dbraw/zinc/77/50/64/695775064.db2.gz BNNKYQPWGVGXOP-OAHLLOKOSA-N 1 3 342.447 1.191 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCCN1CCCO ZINC000993619190 696262357 /nfs/dbraw/zinc/26/23/57/696262357.db2.gz FSOPYIJTXXLTBI-VQIMIIECSA-N 1 3 347.503 1.756 20 0 EDADHO CC1CCN(C(=O)C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)CC1 ZINC000917067960 696907664 /nfs/dbraw/zinc/90/76/64/696907664.db2.gz FWBUEKYASGQXAW-GOSISDBHSA-N 1 3 337.508 1.414 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)N1CCCCC1 ZINC000918465554 697169436 /nfs/dbraw/zinc/16/94/36/697169436.db2.gz PLCCTIPOSJODOA-OAHLLOKOSA-N 1 3 346.475 1.677 20 0 EDADHO CC(C)c1nc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n[nH]1 ZINC000939054998 699115927 /nfs/dbraw/zinc/11/59/27/699115927.db2.gz RYCMZTXCHNWQQR-DZGCQCFKSA-N 1 3 348.495 1.206 20 0 EDADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1cncc(F)c1 ZINC000939055498 699116700 /nfs/dbraw/zinc/11/67/00/699116700.db2.gz ZMURZYDGPGBBQT-CXAGYDPISA-N 1 3 334.439 1.499 20 0 EDADHO CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000941566492 701585320 /nfs/dbraw/zinc/58/53/20/701585320.db2.gz FBWUJDJMTRCROV-IAGOWNOFSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1ccccn1 ZINC000939810354 699958667 /nfs/dbraw/zinc/95/86/67/699958667.db2.gz LVYGIBCRTAIPAH-AEFFLSMTSA-N 1 3 330.476 1.894 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1)N(C)C ZINC000940164682 700299502 /nfs/dbraw/zinc/29/95/02/700299502.db2.gz UPYQTYQYPDGZOY-INIZCTEOSA-N 1 3 335.496 1.477 20 0 EDADHO CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(CC)n2)CC1)N(C)C ZINC000940177141 700309936 /nfs/dbraw/zinc/30/99/36/700309936.db2.gz WTSQLPODDGGENJ-MRXNPFEDSA-N 1 3 335.496 1.714 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC000940296786 700469191 /nfs/dbraw/zinc/46/91/91/700469191.db2.gz WUQUJYGWUXVSPA-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940328429 700506722 /nfs/dbraw/zinc/50/67/22/700506722.db2.gz JZECIOOUIKKEKH-MRXNPFEDSA-N 1 3 347.507 1.858 20 0 EDADHO CCn1ccnc1CNC1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940328429 700506723 /nfs/dbraw/zinc/50/67/23/700506723.db2.gz JZECIOOUIKKEKH-MRXNPFEDSA-N 1 3 347.507 1.858 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328962 700507988 /nfs/dbraw/zinc/50/79/88/700507988.db2.gz OWBXTFBEPRHBLO-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC(C)(NCc2ccn(C)n2)CC1 ZINC000940328962 700507989 /nfs/dbraw/zinc/50/79/89/700507989.db2.gz OWBXTFBEPRHBLO-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1)N(C)C ZINC000940335130 700515441 /nfs/dbraw/zinc/51/54/41/700515441.db2.gz UOZSEIQRXDESMP-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000940365658 700546840 /nfs/dbraw/zinc/54/68/40/700546840.db2.gz KHWZQWZCUHLWBC-UHFFFAOYSA-N 1 3 347.507 1.623 20 0 EDADHO COc1cc(CNC[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995167699 701651805 /nfs/dbraw/zinc/65/18/05/701651805.db2.gz KMXFCUWPKYGJNX-KBPBESRZSA-N 1 3 348.447 1.154 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940472535 700657825 /nfs/dbraw/zinc/65/78/25/700657825.db2.gz BWDFVKCTGRBVKY-MRXNPFEDSA-N 1 3 348.495 1.160 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C)(NCc2cn(C)nn2)CC1 ZINC000940472535 700657826 /nfs/dbraw/zinc/65/78/26/700657826.db2.gz BWDFVKCTGRBVKY-MRXNPFEDSA-N 1 3 348.495 1.160 20 0 EDADHO Cn1ccc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081418 700711321 /nfs/dbraw/zinc/71/13/21/700711321.db2.gz UZRWMIKRAWYBAS-HOCLYGCPSA-N 1 3 333.480 1.136 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)C1 ZINC000941026466 701065743 /nfs/dbraw/zinc/06/57/43/701065743.db2.gz KMQATNIZSNINQU-KBXCAEBGSA-N 1 3 343.487 1.408 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@@H+](CCO)CC2(C)C)C1 ZINC000941026466 701065746 /nfs/dbraw/zinc/06/57/46/701065746.db2.gz KMQATNIZSNINQU-KBXCAEBGSA-N 1 3 343.487 1.408 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941075473 701102861 /nfs/dbraw/zinc/10/28/61/701102861.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941075473 701102862 /nfs/dbraw/zinc/10/28/62/701102862.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1ncc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999173619 706604749 /nfs/dbraw/zinc/60/47/49/706604749.db2.gz KLKSGUFWGSGQFC-ZWKOTPCHSA-N 1 3 343.475 1.207 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2cncs2)C1 ZINC000999176557 706618470 /nfs/dbraw/zinc/61/84/70/706618470.db2.gz WTTHOESQMZYWSL-GOEBONIOSA-N 1 3 334.489 1.566 20 0 EDADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999189265 706631404 /nfs/dbraw/zinc/63/14/04/706631404.db2.gz JRABYMZFOJWDQE-RBSFLKMASA-N 1 3 348.495 1.349 20 0 EDADHO CC(C)c1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n[nH]1 ZINC000999189265 706631407 /nfs/dbraw/zinc/63/14/07/706631407.db2.gz JRABYMZFOJWDQE-RBSFLKMASA-N 1 3 348.495 1.349 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995824266 702094644 /nfs/dbraw/zinc/09/46/44/702094644.db2.gz HPIXUSRVXFVEIA-BBWFWOEESA-N 1 3 347.507 1.477 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cncn3C)C(C)(C)C2)CC[N@H+]1C ZINC000995824266 702094652 /nfs/dbraw/zinc/09/46/52/702094652.db2.gz HPIXUSRVXFVEIA-BBWFWOEESA-N 1 3 347.507 1.477 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1NCCF ZINC000995891182 702233579 /nfs/dbraw/zinc/23/35/79/702233579.db2.gz CPNFTUQTHLVDMX-CVEARBPZSA-N 1 3 341.471 1.426 20 0 EDADHO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1NCCF ZINC000995891182 702233584 /nfs/dbraw/zinc/23/35/84/702233584.db2.gz CPNFTUQTHLVDMX-CVEARBPZSA-N 1 3 341.471 1.426 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000995921791 702244159 /nfs/dbraw/zinc/24/41/59/702244159.db2.gz CCNHZAVLJPPKTO-CVEARBPZSA-N 1 3 335.496 1.333 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)N(C)C ZINC000995946837 702294381 /nfs/dbraw/zinc/29/43/81/702294381.db2.gz HPXFJDXSKJRRPP-HZPDHXFCSA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(C[C@H]3CCCCO3)C2)CC1 ZINC001015929925 702319854 /nfs/dbraw/zinc/31/98/54/702319854.db2.gz FMXWCJUVWCZDNP-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996300544 702692351 /nfs/dbraw/zinc/69/23/51/702692351.db2.gz NPEXQXKIJNHHFU-YOEHRIQHSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)nn1C ZINC000996464471 702791863 /nfs/dbraw/zinc/79/18/63/702791863.db2.gz MYDKTZURWYYXBP-GOSISDBHSA-N 1 3 347.507 1.682 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)nn1C ZINC000996464471 702791864 /nfs/dbraw/zinc/79/18/64/702791864.db2.gz MYDKTZURWYYXBP-GOSISDBHSA-N 1 3 347.507 1.682 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]CCc2ccns2)CC1)C1CCC1 ZINC000996673795 702969152 /nfs/dbraw/zinc/96/91/52/702969152.db2.gz XJLYHWCFGUJCIA-UHFFFAOYSA-N 1 3 336.505 1.751 20 0 EDADHO CN(CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672920 702973975 /nfs/dbraw/zinc/97/39/75/702973975.db2.gz QGFAYUPNQHRVCQ-KXBFYZLASA-N 1 3 335.492 1.478 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996676751 702975766 /nfs/dbraw/zinc/97/57/66/702975766.db2.gz HZWOJDYHACKDNA-SFHVURJKSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996921432 703192408 /nfs/dbraw/zinc/19/24/08/703192408.db2.gz JQRBZPCMBJQXMS-ZFWWWQNUSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1ncc(CNC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996921432 703192410 /nfs/dbraw/zinc/19/24/10/703192410.db2.gz JQRBZPCMBJQXMS-ZFWWWQNUSA-N 1 3 334.464 1.794 20 0 EDADHO COc1cncc(CNC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996964571 703232883 /nfs/dbraw/zinc/23/28/83/703232883.db2.gz LERJPSVBBLGCJJ-QGZVFWFLSA-N 1 3 349.479 1.152 20 0 EDADHO COc1ncccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996993232 703249807 /nfs/dbraw/zinc/24/98/07/703249807.db2.gz BWNPNNLQBKNPDC-HNNXBMFYSA-N 1 3 346.475 1.655 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996993803 703250524 /nfs/dbraw/zinc/25/05/24/703250524.db2.gz FPWYHZATDJVXSH-HNNXBMFYSA-N 1 3 333.480 1.468 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996993803 703250526 /nfs/dbraw/zinc/25/05/26/703250526.db2.gz FPWYHZATDJVXSH-HNNXBMFYSA-N 1 3 333.480 1.468 20 0 EDADHO Cc1noc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000996995741 703252376 /nfs/dbraw/zinc/25/23/76/703252376.db2.gz QBUXAIDKWPXAAI-CYBMUJFWSA-N 1 3 334.464 1.714 20 0 EDADHO CCc1nocc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996996308 703259812 /nfs/dbraw/zinc/25/98/12/703259812.db2.gz XUUUJXVLNOHONO-CQSZACIVSA-N 1 3 334.464 1.802 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)CC1 ZINC000997115561 703369460 /nfs/dbraw/zinc/36/94/60/703369460.db2.gz NUDJGSDEXTWGHN-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366833 703600854 /nfs/dbraw/zinc/60/08/54/703600854.db2.gz NHXUZNZVPKKHGA-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368152 703604909 /nfs/dbraw/zinc/60/49/09/703604909.db2.gz QFDCDZZWHDZLDE-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997420965 703670492 /nfs/dbraw/zinc/67/04/92/703670492.db2.gz LDNFXCNITWJJCU-RHSMWYFYSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1nn(C)cc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997420965 703670493 /nfs/dbraw/zinc/67/04/93/703670493.db2.gz LDNFXCNITWJJCU-RHSMWYFYSA-N 1 3 347.507 1.397 20 0 EDADHO CCOC1CC(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000997611461 703911289 /nfs/dbraw/zinc/91/12/89/703911289.db2.gz FSZHOFKEKYCADK-ABHNRTSZSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310794 /nfs/dbraw/zinc/31/07/94/704310794.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 1 3 335.492 1.428 20 0 EDADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310795 /nfs/dbraw/zinc/31/07/95/704310795.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 1 3 335.492 1.428 20 0 EDADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)CCC1 ZINC001004459396 704453004 /nfs/dbraw/zinc/45/30/04/704453004.db2.gz UGEIJEHHQKDNEL-QGZVFWFLSA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CCCO)CC2)CCC1 ZINC001004459396 704453005 /nfs/dbraw/zinc/45/30/05/704453005.db2.gz UGEIJEHHQKDNEL-QGZVFWFLSA-N 1 3 337.508 1.556 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC000997784432 704688085 /nfs/dbraw/zinc/68/80/85/704688085.db2.gz FMNYQWUGXKDRSJ-CRAIPNDOSA-N 1 3 347.507 1.397 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)nn1C ZINC000997784432 704688088 /nfs/dbraw/zinc/68/80/88/704688088.db2.gz FMNYQWUGXKDRSJ-CRAIPNDOSA-N 1 3 347.507 1.397 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000997832043 704750538 /nfs/dbraw/zinc/75/05/38/704750538.db2.gz XUBRADQEIBJLBJ-GOSISDBHSA-N 1 3 330.476 1.750 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1)N(C)C ZINC000997856151 704764481 /nfs/dbraw/zinc/76/44/81/704764481.db2.gz QZRVPPDIGJUYJA-GOSISDBHSA-N 1 3 347.507 1.498 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)N(C)C ZINC000997857209 704769812 /nfs/dbraw/zinc/76/98/12/704769812.db2.gz YGYNFAUTLDKEHO-QGZVFWFLSA-N 1 3 336.455 1.889 20 0 EDADHO CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000997864377 704770769 /nfs/dbraw/zinc/77/07/69/704770769.db2.gz GHFQNQDOUXSEBZ-QGZVFWFLSA-N 1 3 347.507 1.716 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084099 705314549 /nfs/dbraw/zinc/31/45/49/705314549.db2.gz ZOCRSUWKQSHQBT-HUUCEWRRSA-N 1 3 348.495 1.189 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084099 705314552 /nfs/dbraw/zinc/31/45/52/705314552.db2.gz ZOCRSUWKQSHQBT-HUUCEWRRSA-N 1 3 348.495 1.189 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998265408 705632255 /nfs/dbraw/zinc/63/22/55/705632255.db2.gz MGPQYRFNNOAMNK-GDBMZVCRSA-N 1 3 331.464 1.318 20 0 EDADHO C[C@@H](NCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1cnccn1 ZINC000998265408 705632259 /nfs/dbraw/zinc/63/22/59/705632259.db2.gz MGPQYRFNNOAMNK-GDBMZVCRSA-N 1 3 331.464 1.318 20 0 EDADHO CCc1nc(C)c(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267709 705638830 /nfs/dbraw/zinc/63/88/30/705638830.db2.gz ZDPXMPVWMYTANB-MRXNPFEDSA-N 1 3 348.491 1.825 20 0 EDADHO CCc1nc(C)c(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998267709 705638832 /nfs/dbraw/zinc/63/88/32/705638832.db2.gz ZDPXMPVWMYTANB-MRXNPFEDSA-N 1 3 348.491 1.825 20 0 EDADHO CCOC1CC(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000998267927 705639413 /nfs/dbraw/zinc/63/94/13/705639413.db2.gz ALDQQAQWLWQITO-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998723971 706155692 /nfs/dbraw/zinc/15/56/92/706155692.db2.gz SXUNJMSRCNTVIQ-GDBMZVCRSA-N 1 3 336.505 1.935 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998790788 706237706 /nfs/dbraw/zinc/23/77/06/706237706.db2.gz FXRKPDMSUSQORD-TWRYWWQQSA-N 1 3 334.464 1.711 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998790788 706237708 /nfs/dbraw/zinc/23/77/08/706237708.db2.gz FXRKPDMSUSQORD-TWRYWWQQSA-N 1 3 334.464 1.711 20 0 EDADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998995738 706413405 /nfs/dbraw/zinc/41/34/05/706413405.db2.gz UJQQZEWSEHOYHS-OFLPRAFFSA-N 1 3 334.439 1.784 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999145543 706558945 /nfs/dbraw/zinc/55/89/45/706558945.db2.gz SJDCBIAESQEIPQ-IRXDYDNUSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnn(C)c2)C1 ZINC000999145543 706558950 /nfs/dbraw/zinc/55/89/50/706558950.db2.gz SJDCBIAESQEIPQ-IRXDYDNUSA-N 1 3 333.480 1.374 20 0 EDADHO CC[C@H](F)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518219 706579774 /nfs/dbraw/zinc/57/97/74/706579774.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 1 3 325.472 1.999 20 0 EDADHO CC[C@H](F)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518219 706579775 /nfs/dbraw/zinc/57/97/75/706579775.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 1 3 325.472 1.999 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)n1 ZINC000999348263 706860368 /nfs/dbraw/zinc/86/03/68/706860368.db2.gz MYBVYNMAFBSCPQ-QGZVFWFLSA-N 1 3 347.507 1.565 20 0 EDADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CCC1 ZINC000999350510 706863257 /nfs/dbraw/zinc/86/32/57/706863257.db2.gz XZWGZTKXTIOJPW-MRXNPFEDSA-N 1 3 333.480 1.028 20 0 EDADHO COc1ncccc1CN[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372942 706867626 /nfs/dbraw/zinc/86/76/26/706867626.db2.gz PNHDRIBSILFELZ-SJORKVTESA-N 1 3 346.475 1.511 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](NCc2ccc(F)cn2)C1)C1CC1 ZINC000999369948 706883741 /nfs/dbraw/zinc/88/37/41/706883741.db2.gz KSSJMTUIGSXGCY-DLBZAZTESA-N 1 3 334.439 1.642 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999402691 706910993 /nfs/dbraw/zinc/91/09/93/706910993.db2.gz JAWFLMBNAPHSSE-ODIFPOPNSA-N 1 3 346.475 1.511 20 0 EDADHO COc1ncccc1CNC1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999402691 706910995 /nfs/dbraw/zinc/91/09/95/706910995.db2.gz JAWFLMBNAPHSSE-ODIFPOPNSA-N 1 3 346.475 1.511 20 0 EDADHO C[C@H](N[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558144 707055766 /nfs/dbraw/zinc/05/57/66/707055766.db2.gz SXGCKEJCDQTZTA-KBPBESRZSA-N 1 3 338.496 1.094 20 0 EDADHO C[C@H](N[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558144 707055768 /nfs/dbraw/zinc/05/57/68/707055768.db2.gz SXGCKEJCDQTZTA-KBPBESRZSA-N 1 3 338.496 1.094 20 0 EDADHO CCc1nc(C)c(CNC2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999710216 707304669 /nfs/dbraw/zinc/30/46/69/707304669.db2.gz UCFWWZDNUYHJSR-UHFFFAOYSA-N 1 3 346.475 1.720 20 0 EDADHO Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834848 707467888 /nfs/dbraw/zinc/46/78/88/707467888.db2.gz YDMDYSGNHSGSFL-UHFFFAOYSA-N 1 3 347.507 1.947 20 0 EDADHO CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1)OC ZINC001033317579 707504488 /nfs/dbraw/zinc/50/44/88/707504488.db2.gz BMTPLYZBQFCNJW-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCC2)C1)OC ZINC001033317579 707504492 /nfs/dbraw/zinc/50/44/92/707504492.db2.gz BMTPLYZBQFCNJW-HZPDHXFCSA-N 1 3 325.497 1.819 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033320989 707517931 /nfs/dbraw/zinc/51/79/31/707517931.db2.gz YXZCWGHMWQOVTF-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001033320989 707517935 /nfs/dbraw/zinc/51/79/35/707517935.db2.gz YXZCWGHMWQOVTF-DLBZAZTESA-N 1 3 337.508 1.820 20 0 EDADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)N(C)C ZINC001000113055 707703860 /nfs/dbraw/zinc/70/38/60/707703860.db2.gz PBJKDQDSMUCSSF-QZTJIDSGSA-N 1 3 339.524 1.970 20 0 EDADHO COC[C@@H](C)N1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422819 707837253 /nfs/dbraw/zinc/83/72/53/707837253.db2.gz LHTMSBRQQGUECY-VQIMIIECSA-N 1 3 347.503 1.972 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)C1 ZINC001000197562 707838304 /nfs/dbraw/zinc/83/83/04/707838304.db2.gz IKYCJIKICXTCJV-SJORKVTESA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423996 707840204 /nfs/dbraw/zinc/84/02/04/707840204.db2.gz WHAIMIJWQXRALX-CRAIPNDOSA-N 1 3 333.476 1.318 20 0 EDADHO CC1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cncs3)C2)CC1 ZINC001000546231 708049500 /nfs/dbraw/zinc/04/95/00/708049500.db2.gz NPADGCGTINYORB-OAHLLOKOSA-N 1 3 336.505 1.956 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185111 708112487 /nfs/dbraw/zinc/11/24/87/708112487.db2.gz PWUIBYIYZHNYQZ-QZTJIDSGSA-N 1 3 337.508 1.963 20 0 EDADHO CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001005182038 708127512 /nfs/dbraw/zinc/12/75/12/708127512.db2.gz CDCADVAPVGAJDF-VMWRSERWSA-N 1 3 337.508 1.819 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001033592526 708291100 /nfs/dbraw/zinc/29/11/00/708291100.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 1 3 345.487 1.940 20 0 EDADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOc2ccccc2)C1 ZINC001033592526 708291101 /nfs/dbraw/zinc/29/11/01/708291101.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 1 3 345.487 1.940 20 0 EDADHO COCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538901 710212068 /nfs/dbraw/zinc/21/20/68/710212068.db2.gz VUEQNTVIMAPROF-GOSISDBHSA-N 1 3 333.476 1.979 20 0 EDADHO COCC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034538901 710212069 /nfs/dbraw/zinc/21/20/69/710212069.db2.gz VUEQNTVIMAPROF-GOSISDBHSA-N 1 3 333.476 1.979 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034647882 710323793 /nfs/dbraw/zinc/32/37/93/710323793.db2.gz AFDTZJNAMMOKBR-JFIYKMOQSA-N 1 3 346.475 1.842 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001034654526 710329248 /nfs/dbraw/zinc/32/92/48/710329248.db2.gz YGWWQSIXCNMYHS-TVFCKZIOSA-N 1 3 335.492 1.667 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@@H+]1C ZINC001034716660 710859233 /nfs/dbraw/zinc/85/92/33/710859233.db2.gz PDIAJLWTFNOWBQ-QAETUUGQSA-N 1 3 347.507 1.667 20 0 EDADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H](NCc3nccn3C)CC2)CC[N@H+]1C ZINC001034716660 710859237 /nfs/dbraw/zinc/85/92/37/710859237.db2.gz PDIAJLWTFNOWBQ-QAETUUGQSA-N 1 3 347.507 1.667 20 0 EDADHO Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cn1 ZINC001034734800 710917790 /nfs/dbraw/zinc/91/77/90/710917790.db2.gz ZHLNIJKVSKVQGV-DJIMGWMZSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034735701 710922110 /nfs/dbraw/zinc/92/21/10/710922110.db2.gz MFBOTVQFHDKBEL-FVQBIDKESA-N 1 3 334.464 1.984 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034737028 710948395 /nfs/dbraw/zinc/94/83/95/710948395.db2.gz GUVAMHSCRSMOFG-YFHUEUNASA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccc(CN[C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001034737028 710948397 /nfs/dbraw/zinc/94/83/97/710948397.db2.gz GUVAMHSCRSMOFG-YFHUEUNASA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034778644 711081978 /nfs/dbraw/zinc/08/19/78/711081978.db2.gz KWPLYVKAVRIBHR-BRWVUGGUSA-N 1 3 347.507 1.762 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034778644 711081983 /nfs/dbraw/zinc/08/19/83/711081983.db2.gz KWPLYVKAVRIBHR-BRWVUGGUSA-N 1 3 347.507 1.762 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391990 711456999 /nfs/dbraw/zinc/45/69/99/711456999.db2.gz IXWKPMBGFNZDKC-FTEYMNFISA-N 1 3 345.487 1.745 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391990 711457000 /nfs/dbraw/zinc/45/70/00/711457000.db2.gz IXWKPMBGFNZDKC-FTEYMNFISA-N 1 3 345.487 1.745 20 0 EDADHO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394579 711461033 /nfs/dbraw/zinc/46/10/33/711461033.db2.gz OQQOLMZIBAFOTL-VBSBHUPXSA-N 1 3 346.519 1.868 20 0 EDADHO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NCc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394579 711461035 /nfs/dbraw/zinc/46/10/35/711461035.db2.gz OQQOLMZIBAFOTL-VBSBHUPXSA-N 1 3 346.519 1.868 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946633094 712054186 /nfs/dbraw/zinc/05/41/86/712054186.db2.gz HXDMHHDZUNVSGQ-NXOAAHMSSA-N 1 3 325.497 1.124 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]2CC1)N(C)C ZINC000946633094 712054189 /nfs/dbraw/zinc/05/41/89/712054189.db2.gz HXDMHHDZUNVSGQ-NXOAAHMSSA-N 1 3 325.497 1.124 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004617509 712077527 /nfs/dbraw/zinc/07/75/27/712077527.db2.gz QVGJEVCHTXEVAQ-IEBWSBKVSA-N 1 3 349.519 1.822 20 0 EDADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2C[C@H]2CCOC2)CC1 ZINC001004617509 712077529 /nfs/dbraw/zinc/07/75/29/712077529.db2.gz QVGJEVCHTXEVAQ-IEBWSBKVSA-N 1 3 349.519 1.822 20 0 EDADHO COCc1cnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000558456705 306238258 /nfs/dbraw/zinc/23/82/58/306238258.db2.gz RVSBSCRDWZUIHH-UHFFFAOYSA-N 1 3 329.470 1.247 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000558556727 306239749 /nfs/dbraw/zinc/23/97/49/306239749.db2.gz QPGVVIIITDQSDG-UHFFFAOYSA-N 1 3 338.399 1.727 20 0 EDADHO C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273731 282171267 /nfs/dbraw/zinc/17/12/67/282171267.db2.gz LSEJJMAAUPRLII-SJORKVTESA-N 1 3 346.475 1.135 20 0 EDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000339068458 539699886 /nfs/dbraw/zinc/69/98/86/539699886.db2.gz QJFNFWLLWYLVQT-ZACQAIPSSA-N 1 3 325.522 1.411 20 0 EDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000339068458 539699889 /nfs/dbraw/zinc/69/98/89/539699889.db2.gz QJFNFWLLWYLVQT-ZACQAIPSSA-N 1 3 325.522 1.411 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000351615005 539917036 /nfs/dbraw/zinc/91/70/36/539917036.db2.gz KCZCQFMBAISJGM-CVEARBPZSA-N 1 3 327.517 1.042 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000156109215 539937517 /nfs/dbraw/zinc/93/75/17/539937517.db2.gz DLNAPHBAKIZTPS-INIZCTEOSA-N 1 3 348.495 1.784 20 0 EDADHO C[C@@H](NC[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)C[NH+](C)C ZINC000562995438 306315100 /nfs/dbraw/zinc/31/51/00/306315100.db2.gz KHQNYVKLIWUGDW-KGLIPLIRSA-N 1 3 347.459 1.209 20 0 EDADHO C[C@H](NC(=O)C(=O)Nc1cccc2c1CCNC2)C(C)(C)C[NH+](C)C ZINC000563452424 306334247 /nfs/dbraw/zinc/33/42/47/306334247.db2.gz NGOUTTBVPAHPHJ-ZDUSSCGKSA-N 1 3 346.475 1.363 20 0 EDADHO C[NH+]1CCC(CNC(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000089209619 138273519 /nfs/dbraw/zinc/27/35/19/138273519.db2.gz JLXCESSMIVSAQO-UHFFFAOYSA-N 1 3 345.491 1.939 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106546292 138303168 /nfs/dbraw/zinc/30/31/68/138303168.db2.gz BDKVDJOSJQKSFK-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000106546292 138303169 /nfs/dbraw/zinc/30/31/69/138303169.db2.gz BDKVDJOSJQKSFK-INIZCTEOSA-N 1 3 338.496 1.413 20 0 EDADHO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C1CC1)N1CCCC1 ZINC000124262566 138325381 /nfs/dbraw/zinc/32/53/81/138325381.db2.gz ISBAAFPKLBYUMG-YJBOKZPZSA-N 1 3 335.492 1.478 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215771 283352812 /nfs/dbraw/zinc/35/28/12/283352812.db2.gz SRINJEVUTJTMKT-RHSMWYFYSA-N 1 3 329.485 1.584 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215771 283352817 /nfs/dbraw/zinc/35/28/17/283352817.db2.gz SRINJEVUTJTMKT-RHSMWYFYSA-N 1 3 329.485 1.584 20 0 EDADHO CCCN1CC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215771 283352824 /nfs/dbraw/zinc/35/28/24/283352824.db2.gz SRINJEVUTJTMKT-RHSMWYFYSA-N 1 3 329.485 1.584 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209344 306357031 /nfs/dbraw/zinc/35/70/31/306357031.db2.gz NRTQLBMDXICSEU-OGWOLHLISA-N 1 3 345.443 1.640 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000173923562 237269527 /nfs/dbraw/zinc/26/95/27/237269527.db2.gz AQFFEHIMPOCDEW-OAHLLOKOSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000173923562 237269542 /nfs/dbraw/zinc/26/95/42/237269542.db2.gz AQFFEHIMPOCDEW-OAHLLOKOSA-N 1 3 336.484 1.783 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947676 306371013 /nfs/dbraw/zinc/37/10/13/306371013.db2.gz WNAGDZXLNZDNJA-MDZRGWNJSA-N 1 3 346.475 1.210 20 0 EDADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(CO)c1 ZINC000414198431 304105786 /nfs/dbraw/zinc/10/57/86/304105786.db2.gz QLNRMZWPALMSAT-KRWDZBQOSA-N 1 3 347.503 1.626 20 0 EDADHO CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000298533090 201354129 /nfs/dbraw/zinc/35/41/29/201354129.db2.gz SIDFNEFMKMCWII-OAHLLOKOSA-N 1 3 338.477 1.064 20 0 EDADHO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414702415 304129732 /nfs/dbraw/zinc/12/97/32/304129732.db2.gz WXUZLFIWKKPHQI-HRCADAONSA-N 1 3 339.480 1.108 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000414701331 304130044 /nfs/dbraw/zinc/13/00/44/304130044.db2.gz GVTGLJGEYXILPC-OALUTQOASA-N 1 3 345.487 1.517 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000414701331 304130045 /nfs/dbraw/zinc/13/00/45/304130045.db2.gz GVTGLJGEYXILPC-OALUTQOASA-N 1 3 345.487 1.517 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CNC2)C[NH+]1CCCCC1 ZINC000414747959 304136627 /nfs/dbraw/zinc/13/66/27/304136627.db2.gz VRMNOARUBLAZIO-AWEZNQCLSA-N 1 3 344.459 1.467 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H](C)[NH2+]C)c(C)c2)CC1 ZINC000414747124 304136661 /nfs/dbraw/zinc/13/66/61/304136661.db2.gz GTHJCFUNAMVZLJ-HNNXBMFYSA-N 1 3 333.480 1.866 20 0 EDADHO COc1sc(CNCCCN2CC[NH2+]CC2)cc1Br ZINC000414786196 304140453 /nfs/dbraw/zinc/14/04/53/304140453.db2.gz XBGCPURMGLNIPA-UHFFFAOYSA-N 1 3 348.310 1.904 20 0 EDADHO CCNC(=O)COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414791287 304141332 /nfs/dbraw/zinc/14/13/32/304141332.db2.gz BDVUIXDYAYRDJN-HUUCEWRRSA-N 1 3 335.448 1.427 20 0 EDADHO CNC[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414847518 304147599 /nfs/dbraw/zinc/14/75/99/304147599.db2.gz VXLVZIVEIYSDQZ-OAHLLOKOSA-N 1 3 339.505 1.593 20 0 EDADHO C[NH2+]C[C@@H](C)CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414847518 304147600 /nfs/dbraw/zinc/14/76/00/304147600.db2.gz VXLVZIVEIYSDQZ-OAHLLOKOSA-N 1 3 339.505 1.593 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194830067 139000982 /nfs/dbraw/zinc/00/09/82/139000982.db2.gz UTRRQUBVLQXCHA-AWEZNQCLSA-N 1 3 332.473 1.547 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236955114 139036376 /nfs/dbraw/zinc/03/63/76/139036376.db2.gz SRJAHRIDGPOMCN-SFHVURJKSA-N 1 3 330.476 1.192 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000567378030 306449746 /nfs/dbraw/zinc/44/97/46/306449746.db2.gz NDZJSFKZJNZAOH-IBGZPJMESA-N 1 3 335.492 1.180 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130488563 205241399 /nfs/dbraw/zinc/24/13/99/205241399.db2.gz YQWWJEOJRYOVIP-RYRKJORJSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCN(C)CC2)nc1 ZINC000130488563 205241404 /nfs/dbraw/zinc/24/14/04/205241404.db2.gz YQWWJEOJRYOVIP-RYRKJORJSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000130488563 205241408 /nfs/dbraw/zinc/24/14/08/205241408.db2.gz YQWWJEOJRYOVIP-RYRKJORJSA-N 1 3 331.508 1.652 20 0 EDADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251794 304179295 /nfs/dbraw/zinc/17/92/95/304179295.db2.gz AFIWAQNRYOHFOK-QGZVFWFLSA-N 1 3 344.459 1.212 20 0 EDADHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746368 139119923 /nfs/dbraw/zinc/11/99/23/139119923.db2.gz LDJUCYICVWACSH-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247969987 139156425 /nfs/dbraw/zinc/15/64/25/139156425.db2.gz IWZGTVVVADOEAQ-QRQLOZEOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247969987 139156426 /nfs/dbraw/zinc/15/64/26/139156426.db2.gz IWZGTVVVADOEAQ-QRQLOZEOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247969987 139156427 /nfs/dbraw/zinc/15/64/27/139156427.db2.gz IWZGTVVVADOEAQ-QRQLOZEOSA-N 1 3 348.487 1.989 20 0 EDADHO COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247969987 139156428 /nfs/dbraw/zinc/15/64/28/139156428.db2.gz IWZGTVVVADOEAQ-QRQLOZEOSA-N 1 3 348.487 1.989 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1CN(C)C ZINC000415454966 304222439 /nfs/dbraw/zinc/22/24/39/304222439.db2.gz VPVUOPNTXNOEQL-GDBMZVCRSA-N 1 3 346.475 1.581 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CCOCC2)cc1 ZINC000261933179 139238264 /nfs/dbraw/zinc/23/82/64/139238264.db2.gz WMQVHGMYOACGFF-UHFFFAOYSA-N 1 3 349.475 1.531 20 0 EDADHO N[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000261957612 139239904 /nfs/dbraw/zinc/23/99/04/139239904.db2.gz KRUZLOMXEAGYNE-CYBMUJFWSA-N 1 3 331.338 1.857 20 0 EDADHO Cc1nc2ccc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038203 139245668 /nfs/dbraw/zinc/24/56/68/139245668.db2.gz XYHCSBGBNIDLEC-CQSZACIVSA-N 1 3 332.473 1.892 20 0 EDADHO Cc1cccc(OCCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000262210575 139260197 /nfs/dbraw/zinc/26/01/97/139260197.db2.gz LOQRMDCREOLGRG-HKUYNNGSSA-N 1 3 345.487 1.954 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015043 251047704 /nfs/dbraw/zinc/04/77/04/251047704.db2.gz VWDJGKGSVDGGKP-MWLCHTKSSA-N 1 3 328.404 1.003 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N[C@H]1CCCC[NH2+]C1 ZINC000417017008 251133880 /nfs/dbraw/zinc/13/38/80/251133880.db2.gz GNABJWRNLNTMMB-SFHVURJKSA-N 1 3 330.476 1.876 20 0 EDADHO CC[C@@H](CNC(=O)N1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000417020701 251136749 /nfs/dbraw/zinc/13/67/49/251136749.db2.gz SLHDTYRMFIDQFL-ROUUACIJSA-N 1 3 330.476 1.956 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417590146 251199563 /nfs/dbraw/zinc/19/95/63/251199563.db2.gz HFUMYUXHDFEJBC-HNNXBMFYSA-N 1 3 334.464 1.698 20 0 EDADHO O=C(NCc1ccc(OCCN2CCCC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000417595880 251202022 /nfs/dbraw/zinc/20/20/22/251202022.db2.gz OTNDAXTUZOCMSU-QGZVFWFLSA-N 1 3 346.475 1.712 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCN1Cc1ccccc1 ZINC000262453669 139280061 /nfs/dbraw/zinc/28/00/61/139280061.db2.gz UYLOQALSVBLKAL-NRSFXHEJSA-N 1 3 331.460 1.221 20 0 EDADHO CN(C)C1(CNC(=O)N(C)C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000417744462 251252243 /nfs/dbraw/zinc/25/22/43/251252243.db2.gz YOBKDWPHZBKAJL-UHFFFAOYSA-N 1 3 330.476 1.479 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000417837997 251292554 /nfs/dbraw/zinc/29/25/54/251292554.db2.gz VNJGNWMVLPNBOX-QGZVFWFLSA-N 1 3 336.505 1.594 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000417847031 251295257 /nfs/dbraw/zinc/29/52/57/251295257.db2.gz UNVVJCFOBJBJTC-BPQIPLTHSA-N 1 3 346.475 1.409 20 0 EDADHO CN(C)C(=O)c1ccccc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000417791856 251270607 /nfs/dbraw/zinc/27/06/07/251270607.db2.gz JVDOTFVDIYBVSV-UHFFFAOYSA-N 1 3 333.476 1.931 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417818634 251282902 /nfs/dbraw/zinc/28/29/02/251282902.db2.gz WZYMVSOPNPZIKD-UHFFFAOYSA-N 1 3 338.496 1.485 20 0 EDADHO C[C@H](NC(=O)NCCCN1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115405 251329023 /nfs/dbraw/zinc/32/90/23/251329023.db2.gz OFOQONDFKLNOIA-PMPSAXMXSA-N 1 3 326.485 1.175 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000418156079 251347857 /nfs/dbraw/zinc/34/78/57/251347857.db2.gz ACRXJQLVAOXARN-INIZCTEOSA-N 1 3 346.475 1.792 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000418688290 251385764 /nfs/dbraw/zinc/38/57/64/251385764.db2.gz MYBWHLOHOYYUAI-KBAYOESNSA-N 1 3 348.491 1.296 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262631384 139291609 /nfs/dbraw/zinc/29/16/09/139291609.db2.gz FGTHCPBZCKDQFV-SOLBZPMBSA-N 1 3 332.492 1.465 20 0 EDADHO [NH3+]C1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CCCCC1 ZINC000262660764 139294091 /nfs/dbraw/zinc/29/40/91/139294091.db2.gz XTVJFYXUSMBNBV-UHFFFAOYSA-N 1 3 345.487 1.921 20 0 EDADHO [NH3+]CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000262670968 139295178 /nfs/dbraw/zinc/29/51/78/139295178.db2.gz QXPQTDYYYDESIB-UHFFFAOYSA-N 1 3 338.455 1.902 20 0 EDADHO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000262676983 139295609 /nfs/dbraw/zinc/29/56/09/139295609.db2.gz STFCVYUDRQLQQJ-HZPDHXFCSA-N 1 3 344.459 1.578 20 0 EDADHO C[C@@H]([NH3+])CCC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000262705020 139297546 /nfs/dbraw/zinc/29/75/46/139297546.db2.gz BKKVIGKGGYEYPU-QGZVFWFLSA-N 1 3 332.492 1.438 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000262885629 139310531 /nfs/dbraw/zinc/31/05/31/139310531.db2.gz WKHBVRZQWDQFRP-SFHVURJKSA-N 1 3 346.519 1.828 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422897751 252015790 /nfs/dbraw/zinc/01/57/90/252015790.db2.gz COPHPJXGWARLMB-DLBZAZTESA-N 1 3 339.505 1.731 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899177 252016711 /nfs/dbraw/zinc/01/67/11/252016711.db2.gz GWVDKUFHYBKXJB-SQWLQELKSA-N 1 3 333.432 1.028 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150718 252038059 /nfs/dbraw/zinc/03/80/59/252038059.db2.gz BZRBATNATOVOIB-WDEREUQCSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1CNC1 ZINC000423150718 252038062 /nfs/dbraw/zinc/03/80/62/252038062.db2.gz BZRBATNATOVOIB-WDEREUQCSA-N 1 3 345.256 1.937 20 0 EDADHO COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)c1 ZINC000422908646 252018947 /nfs/dbraw/zinc/01/89/47/252018947.db2.gz YXBONBSXNQPBAR-OHDICMOHSA-N 1 3 333.476 1.863 20 0 EDADHO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2C)cc1 ZINC000422905754 252018983 /nfs/dbraw/zinc/01/89/83/252018983.db2.gz SQQSZQXIAXPJSS-WMLDXEAASA-N 1 3 339.505 1.602 20 0 EDADHO [NH3+][C@H]1CCc2nc(NC(=O)c3cn[n-]c3[C@H]3CCC[NH2+]C3)sc2C1 ZINC000424179374 252154384 /nfs/dbraw/zinc/15/43/84/252154384.db2.gz SVKXPJTYAJVSLG-UWVGGRQHSA-N 1 3 346.460 1.402 20 0 EDADHO CN(C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127060 252132131 /nfs/dbraw/zinc/13/21/31/252132131.db2.gz AAADTGWLMZFOJV-DOTOQJQBSA-N 1 3 342.447 1.235 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000424337424 252198186 /nfs/dbraw/zinc/19/81/86/252198186.db2.gz RRPXBGXYZXBORA-HZPDHXFCSA-N 1 3 336.505 1.252 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000424463566 252237774 /nfs/dbraw/zinc/23/77/74/252237774.db2.gz HPYOZTVEKDHMMJ-ZDUSSCGKSA-N 1 3 330.432 1.159 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482676 252249257 /nfs/dbraw/zinc/24/92/57/252249257.db2.gz VALMOXHBKPKUIE-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000458377717 285020144 /nfs/dbraw/zinc/02/01/44/285020144.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458377717 285020148 /nfs/dbraw/zinc/02/01/48/285020148.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 1 3 326.485 1.221 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000111811524 285023882 /nfs/dbraw/zinc/02/38/82/285023882.db2.gz XTMUJEWMTBLJSH-QGZVFWFLSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000347048708 285055307 /nfs/dbraw/zinc/05/53/07/285055307.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000347048708 285055308 /nfs/dbraw/zinc/05/53/08/285055308.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1CN(C)C ZINC000415675325 304254087 /nfs/dbraw/zinc/25/40/87/304254087.db2.gz LQBGYZIHMVCIMR-BBRMVZONSA-N 1 3 332.448 1.252 20 0 EDADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000570273841 306534908 /nfs/dbraw/zinc/53/49/08/306534908.db2.gz TUIQZARBZNLVQK-CVEARBPZSA-N 1 3 331.464 1.727 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000415759960 304266993 /nfs/dbraw/zinc/26/69/93/304266993.db2.gz RNBNNUQGLMASQL-IYBDPMFKSA-N 1 3 344.459 1.145 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000570394318 306540332 /nfs/dbraw/zinc/54/03/32/306540332.db2.gz AHLKYMNXEBSXOD-GXTWGEPZSA-N 1 3 325.403 1.853 20 0 EDADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000495040250 255266630 /nfs/dbraw/zinc/26/66/30/255266630.db2.gz DYCDKXIKKWDPOD-INIZCTEOSA-N 1 3 346.475 1.125 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756217 285279672 /nfs/dbraw/zinc/27/96/72/285279672.db2.gz ABLLZALOAPGVIB-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756217 285279673 /nfs/dbraw/zinc/27/96/73/285279673.db2.gz ABLLZALOAPGVIB-SJORKVTESA-N 1 3 325.497 1.678 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415828649 304278521 /nfs/dbraw/zinc/27/85/21/304278521.db2.gz DCDZPHJLTQLBAG-YOEHRIQHSA-N 1 3 346.475 1.711 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756146 285318711 /nfs/dbraw/zinc/31/87/11/285318711.db2.gz RWUDOMBWFBZPRO-DOTOQJQBSA-N 1 3 339.528 1.077 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415828646 304278561 /nfs/dbraw/zinc/27/85/61/304278561.db2.gz DCDZPHJLTQLBAG-PBHICJAKSA-N 1 3 346.475 1.711 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1CN(C)C ZINC000415864231 304282287 /nfs/dbraw/zinc/28/22/87/304282287.db2.gz HTIJFVJDYDSOIT-INIZCTEOSA-N 1 3 332.448 1.253 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000415915547 304285262 /nfs/dbraw/zinc/28/52/62/304285262.db2.gz FUXZCNBGUKDPME-OAHLLOKOSA-N 1 3 333.480 1.411 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCCN(CCCO)C1 ZINC000416239995 304299357 /nfs/dbraw/zinc/29/93/57/304299357.db2.gz MIXJSYGNWSFJRV-IBGZPJMESA-N 1 3 345.487 1.398 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)N[C@H]1CCCN(CCCO)C1 ZINC000416239995 304299359 /nfs/dbraw/zinc/29/93/59/304299359.db2.gz MIXJSYGNWSFJRV-IBGZPJMESA-N 1 3 345.487 1.398 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C[C@H]2[C@H](C)O)CC1 ZINC000331277659 141002392 /nfs/dbraw/zinc/00/23/92/141002392.db2.gz GHTMAPQLRTXKTQ-VYDXJSESSA-N 1 3 325.497 1.457 20 0 EDADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333358949 141305239 /nfs/dbraw/zinc/30/52/39/141305239.db2.gz CONWGXADUCGCLD-BBWFWOEESA-N 1 3 338.496 1.100 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333466934 141321941 /nfs/dbraw/zinc/32/19/41/141321941.db2.gz ACACAXNPXMQJFX-WRNCNIFXSA-N 1 3 342.487 1.886 20 0 EDADHO CO[C@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000339545338 142072685 /nfs/dbraw/zinc/07/26/85/142072685.db2.gz JWNXUTBKBYLENK-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000345172449 143060885 /nfs/dbraw/zinc/06/08/85/143060885.db2.gz XMBMNLYMVRECPO-QGZVFWFLSA-N 1 3 341.544 1.243 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000346163212 143173944 /nfs/dbraw/zinc/17/39/44/143173944.db2.gz LHWQVTTXLKIUNX-AEFFLSMTSA-N 1 3 333.476 1.449 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCCN(C)C ZINC000346163212 143173945 /nfs/dbraw/zinc/17/39/45/143173945.db2.gz LHWQVTTXLKIUNX-AEFFLSMTSA-N 1 3 333.476 1.449 20 0 EDADHO Cc1nn(-c2ccncc2)cc1CN(C)C1CC[NH+](CCO)CC1 ZINC000346208873 143179187 /nfs/dbraw/zinc/17/91/87/143179187.db2.gz NUFVEWUKVMGXPK-UHFFFAOYSA-N 1 3 329.448 1.464 20 0 EDADHO CN1CCC(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000346907728 143259251 /nfs/dbraw/zinc/25/92/51/143259251.db2.gz YZSXVFIJASBNQL-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO COC1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000347470539 143325612 /nfs/dbraw/zinc/32/56/12/143325612.db2.gz QBCYSVQHFFNGJK-UHFFFAOYSA-N 1 3 331.460 1.779 20 0 EDADHO COC1(C[NH2+]CC2(N3CCCCC3)CCN(C)CC2)CCOCC1 ZINC000372993204 292121261 /nfs/dbraw/zinc/12/12/61/292121261.db2.gz OPBOWQUHVJAIKP-UHFFFAOYSA-N 1 3 339.524 1.722 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000353210793 149325991 /nfs/dbraw/zinc/32/59/91/149325991.db2.gz ZLPFERYCYFGZAY-OAHLLOKOSA-N 1 3 331.526 1.416 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416970174 304357224 /nfs/dbraw/zinc/35/72/24/304357224.db2.gz MWFSPVAYRWXOJB-UHFFFAOYSA-N 1 3 336.480 1.944 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(CCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000416972837 304358344 /nfs/dbraw/zinc/35/83/44/304358344.db2.gz ISZBPNIJVXLRAS-QAPCUYQASA-N 1 3 330.476 1.682 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000416977473 304359757 /nfs/dbraw/zinc/35/97/57/304359757.db2.gz TVOJHRFZUGUVMZ-QGZVFWFLSA-N 1 3 348.491 1.958 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416980062 304360301 /nfs/dbraw/zinc/36/03/01/304360301.db2.gz AZPHHRWKXGCWGZ-UHFFFAOYSA-N 1 3 348.491 1.912 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417033793 304363641 /nfs/dbraw/zinc/36/36/41/304363641.db2.gz FRMRQAFBVGGUFM-XHSDSOJGSA-N 1 3 326.485 1.032 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CNCCO2)C1 ZINC000417033793 304363642 /nfs/dbraw/zinc/36/36/42/304363642.db2.gz FRMRQAFBVGGUFM-XHSDSOJGSA-N 1 3 326.485 1.032 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)NCC[C@H]1CC[NH2+]C1 ZINC000417039042 304364722 /nfs/dbraw/zinc/36/47/22/304364722.db2.gz URSGDKPJRHCKDX-MRXNPFEDSA-N 1 3 330.476 1.734 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)N(C)CC[NH3+])CC2)c1 ZINC000417047681 304366562 /nfs/dbraw/zinc/36/65/62/304366562.db2.gz DMKONRIGXUICPI-UHFFFAOYSA-N 1 3 347.507 1.497 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000370023675 155287368 /nfs/dbraw/zinc/28/73/68/155287368.db2.gz ZFOQERMYBSCDLH-KRWDZBQOSA-N 1 3 330.476 1.457 20 0 EDADHO CCCC[N@H+](C)CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000357699620 151119875 /nfs/dbraw/zinc/11/98/75/151119875.db2.gz TZJJTEHYEZGDEA-UHFFFAOYSA-N 1 3 336.480 1.028 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000357699620 151119876 /nfs/dbraw/zinc/11/98/76/151119876.db2.gz TZJJTEHYEZGDEA-UHFFFAOYSA-N 1 3 336.480 1.028 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000358287309 151326090 /nfs/dbraw/zinc/32/60/90/151326090.db2.gz BXFBFRBAAUDOFV-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000358287309 151326093 /nfs/dbraw/zinc/32/60/93/151326093.db2.gz BXFBFRBAAUDOFV-IAGOWNOFSA-N 1 3 340.512 1.253 20 0 EDADHO CC[C@H](C(=O)N1CCN(c2ccncc2OC)CC1)[NH+](CC)CC ZINC000358287286 151326420 /nfs/dbraw/zinc/32/64/20/151326420.db2.gz HUVUKAAKULKHHP-OAHLLOKOSA-N 1 3 334.464 1.859 20 0 EDADHO COc1ccccc1CN(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358497251 151394795 /nfs/dbraw/zinc/39/47/95/151394795.db2.gz ATKHCUUMROSSGC-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000417112578 304373152 /nfs/dbraw/zinc/37/31/52/304373152.db2.gz MKPYCEWHOWHBTO-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCSC1 ZINC000360377368 152011788 /nfs/dbraw/zinc/01/17/88/152011788.db2.gz LGHFEPSXADQASV-QGZVFWFLSA-N 1 3 342.553 1.987 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)C2CC2)[C@H](C)C1 ZINC000360855897 152230790 /nfs/dbraw/zinc/23/07/90/152230790.db2.gz FVUYXIJSRUUDLK-NVXWUHKLSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)C2CC2)[C@H](C)C1 ZINC000360855897 152230791 /nfs/dbraw/zinc/23/07/91/152230791.db2.gz FVUYXIJSRUUDLK-NVXWUHKLSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCOCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361676529 152464169 /nfs/dbraw/zinc/46/41/69/152464169.db2.gz ZSYYMBOPDCWQEL-UHFFFAOYSA-N 1 3 347.503 1.983 20 0 EDADHO Cn1nccc1CN1CCC2(CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC000364080177 153140413 /nfs/dbraw/zinc/14/04/13/153140413.db2.gz DUFPWLHKCIGAPK-UHFFFAOYSA-N 1 3 328.464 1.642 20 0 EDADHO Cn1nccc1CN1CCC2(CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC000364080177 153140418 /nfs/dbraw/zinc/14/04/18/153140418.db2.gz DUFPWLHKCIGAPK-UHFFFAOYSA-N 1 3 328.464 1.642 20 0 EDADHO C[N@H+](C[C@@H]1CC12CCN(C[C@@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208002 154041930 /nfs/dbraw/zinc/04/19/30/154041930.db2.gz FWXKSINNJBQTGI-DOTOQJQBSA-N 1 3 335.492 1.166 20 0 EDADHO C[N@@H+](C[C@@H]1CC12CCN(C[C@@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208002 154041932 /nfs/dbraw/zinc/04/19/32/154041932.db2.gz FWXKSINNJBQTGI-DOTOQJQBSA-N 1 3 335.492 1.166 20 0 EDADHO CCS(=O)(=O)NCCN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884769 154311683 /nfs/dbraw/zinc/31/16/83/154311683.db2.gz IFQLJABMSXUCCE-UHFFFAOYSA-N 1 3 340.493 1.169 20 0 EDADHO CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000368064997 154393698 /nfs/dbraw/zinc/39/36/98/154393698.db2.gz UIMOVDAUWJTMIU-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968665 156188516 /nfs/dbraw/zinc/18/85/16/156188516.db2.gz ZYURJAOIIDBPLQ-YJBOKZPZSA-N 1 3 334.508 1.987 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417535187 304404350 /nfs/dbraw/zinc/40/43/50/304404350.db2.gz BMPNZSWYLNCYMF-LSDHHAIUSA-N 1 3 340.512 1.693 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295079 157230649 /nfs/dbraw/zinc/23/06/49/157230649.db2.gz IXGACCWFYMZDBS-UONOGXRCSA-N 1 3 348.491 1.559 20 0 EDADHO C[C@@H](C(=O)NC(=O)NC1CC1)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374295079 157230653 /nfs/dbraw/zinc/23/06/53/157230653.db2.gz IXGACCWFYMZDBS-UONOGXRCSA-N 1 3 348.491 1.559 20 0 EDADHO CCC[C@@](C)([NH3+])C(=O)NCC1(N2CCN(C)CC2)CCCCCC1 ZINC000378204436 158109082 /nfs/dbraw/zinc/10/90/82/158109082.db2.gz WAFYNPOXDAQRKK-GOSISDBHSA-N 1 3 338.540 1.961 20 0 EDADHO C[C@H]1CN(CCC(=O)Nc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378309823 158135641 /nfs/dbraw/zinc/13/56/41/158135641.db2.gz BXUPDVFQPUUJFK-HKUYNNGSSA-N 1 3 344.503 1.973 20 0 EDADHO N[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000417910974 304430074 /nfs/dbraw/zinc/43/00/74/304430074.db2.gz LZGPTEOKLMIIPF-SQNIBIBYSA-N 1 3 346.475 1.363 20 0 EDADHO CCN(C[C@@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186208 162038140 /nfs/dbraw/zinc/03/81/40/162038140.db2.gz JWPBRHUOXSNPRE-SJORKVTESA-N 1 3 347.503 1.858 20 0 EDADHO CN(C)CCN1CCC(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352442185 162183294 /nfs/dbraw/zinc/18/32/94/162183294.db2.gz LRPMPDKCRAHYAS-DLBZAZTESA-N 1 3 345.553 1.205 20 0 EDADHO C[C@@H](NCCCS(=O)(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347949157 287026287 /nfs/dbraw/zinc/02/62/87/287026287.db2.gz GZFITQYEQQWDFT-CABCVRRESA-N 1 3 331.526 1.511 20 0 EDADHO C[C@@H](NCCCS(=O)(=O)N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347949157 287026291 /nfs/dbraw/zinc/02/62/91/287026291.db2.gz GZFITQYEQQWDFT-CABCVRRESA-N 1 3 331.526 1.511 20 0 EDADHO C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000347949157 287026294 /nfs/dbraw/zinc/02/62/94/287026294.db2.gz GZFITQYEQQWDFT-CABCVRRESA-N 1 3 331.526 1.511 20 0 EDADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000179853717 287085636 /nfs/dbraw/zinc/08/56/36/287085636.db2.gz ISVHQKRNOIUARZ-CRAIPNDOSA-N 1 3 333.476 1.280 20 0 EDADHO C[NH2+][C@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000418177442 304459748 /nfs/dbraw/zinc/45/97/48/304459748.db2.gz XPXBAALKZWVQTI-CQSZACIVSA-N 1 3 334.464 1.567 20 0 EDADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccncc1OCCN(C)C ZINC000418189007 304462109 /nfs/dbraw/zinc/46/21/09/304462109.db2.gz HADLYSBJORBVDI-HNNXBMFYSA-N 1 3 337.468 1.195 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccncc1OCCN(C)C ZINC000418191639 304462767 /nfs/dbraw/zinc/46/27/67/304462767.db2.gz LCBDCWJGYIAUOI-GOEBONIOSA-N 1 3 349.479 1.433 20 0 EDADHO CSc1ccc([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000418228689 304467315 /nfs/dbraw/zinc/46/73/15/304467315.db2.gz FLLRYVLMMZHXCB-HLLBOEOZSA-N 1 3 348.516 1.872 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000120481315 287361560 /nfs/dbraw/zinc/36/15/60/287361560.db2.gz IJJATBHQVXANAE-RDJZCZTQSA-N 1 3 340.512 1.469 20 0 EDADHO C[NH2+]CCNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418338053 304482795 /nfs/dbraw/zinc/48/27/95/304482795.db2.gz YUOFNBCTVGGWRS-HUUCEWRRSA-N 1 3 326.485 1.127 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOCC2(CC2)C1 ZINC000665760253 452332057 /nfs/dbraw/zinc/33/20/57/452332057.db2.gz DHLFZYJTVCPGKZ-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOCC2(CC2)C1 ZINC000665760253 452332070 /nfs/dbraw/zinc/33/20/70/452332070.db2.gz DHLFZYJTVCPGKZ-HNNXBMFYSA-N 1 3 326.485 1.080 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000665763608 452344157 /nfs/dbraw/zinc/34/41/57/452344157.db2.gz GWGHJAGMNJIHOP-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000665763608 452344166 /nfs/dbraw/zinc/34/41/66/452344166.db2.gz GWGHJAGMNJIHOP-XHSDSOJGSA-N 1 3 326.485 1.079 20 0 EDADHO COC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665763774 452347659 /nfs/dbraw/zinc/34/76/59/452347659.db2.gz LIDNCLJEGSCHCR-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO COC[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665763774 452347684 /nfs/dbraw/zinc/34/76/84/452347684.db2.gz LIDNCLJEGSCHCR-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CN(C)CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CCCC1 ZINC000154849240 287650925 /nfs/dbraw/zinc/65/09/25/287650925.db2.gz ASQYAXHOFVGCDE-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO COC(=O)[C@](C)(O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505784 277142586 /nfs/dbraw/zinc/14/25/86/277142586.db2.gz YUCLMAIYZNONMU-RVKKMQEKSA-N 1 3 342.480 1.122 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417942505 277166191 /nfs/dbraw/zinc/16/61/91/277166191.db2.gz OBUYEHAVOMVPMC-XSLAGTTESA-N 1 3 328.460 1.683 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000262945887 277279128 /nfs/dbraw/zinc/27/91/28/277279128.db2.gz UZOJCNGPCZVWGN-MSOLQXFVSA-N 1 3 333.476 1.940 20 0 EDADHO CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000417835387 278267463 /nfs/dbraw/zinc/26/74/63/278267463.db2.gz VYWDTXCDSLUPMI-IRXDYDNUSA-N 1 3 330.476 1.219 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200263 278434597 /nfs/dbraw/zinc/43/45/97/278434597.db2.gz HVXFGPDIASYDBJ-FRQCXROJSA-N 1 3 337.508 1.901 20 0 EDADHO CCN(CC)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351519340 279162116 /nfs/dbraw/zinc/16/21/16/279162116.db2.gz FJWSEHFJZHVQCL-DLBZAZTESA-N 1 3 346.475 1.054 20 0 EDADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000417026101 279396726 /nfs/dbraw/zinc/39/67/26/279396726.db2.gz RWYWOHDEPCFDFP-FUHWJXTLSA-N 1 3 347.507 1.402 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)CN(C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192726 /nfs/dbraw/zinc/19/27/26/288192726.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 1 3 325.497 1.015 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)CN(C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192727 /nfs/dbraw/zinc/19/27/27/288192727.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 1 3 325.497 1.015 20 0 EDADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H](N)CCC(=O)OC ZINC000288874323 288585084 /nfs/dbraw/zinc/58/50/84/288585084.db2.gz YVYSJNSEJHYEKT-KRWDZBQOSA-N 1 3 349.475 1.638 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292046477 289247551 /nfs/dbraw/zinc/24/75/51/289247551.db2.gz IQXCXUHVUHWYQV-QGZVFWFLSA-N 1 3 346.475 1.126 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015041 289400585 /nfs/dbraw/zinc/40/05/85/289400585.db2.gz VWDJGKGSVDGGKP-KOLCDFICSA-N 1 3 328.404 1.003 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000137211894 296993245 /nfs/dbraw/zinc/99/32/45/296993245.db2.gz CFBGXGLQHAYTGQ-NUJGCVRESA-N 1 3 349.519 1.724 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000262856079 293520901 /nfs/dbraw/zinc/52/09/01/293520901.db2.gz KQXQLDLJQBNBFS-OFLPRAFFSA-N 1 3 325.497 1.709 20 0 EDADHO CCN(C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1)CC(F)(F)F ZINC000662262560 452992902 /nfs/dbraw/zinc/99/29/02/452992902.db2.gz HLBVWFCTQAVJRS-KBPBESRZSA-N 1 3 335.414 1.714 20 0 EDADHO CCN(C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1)CC(F)(F)F ZINC000662262560 452992911 /nfs/dbraw/zinc/99/29/11/452992911.db2.gz HLBVWFCTQAVJRS-KBPBESRZSA-N 1 3 335.414 1.714 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000418552269 304512283 /nfs/dbraw/zinc/51/22/83/304512283.db2.gz BQSYFCDKWITSIQ-YOEHRIQHSA-N 1 3 334.464 1.883 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000419643744 304649006 /nfs/dbraw/zinc/64/90/06/304649006.db2.gz NOPASXDHAJVFCZ-UHFFFAOYSA-N 1 3 346.475 1.142 20 0 EDADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420364137 304752437 /nfs/dbraw/zinc/75/24/37/304752437.db2.gz IHYJZZFICCZVKT-JTDSTZFVSA-N 1 3 344.503 1.435 20 0 EDADHO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1CCCCCC1 ZINC000304304839 303752538 /nfs/dbraw/zinc/75/25/38/303752538.db2.gz IXJOBAMADKEKJX-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO C[C@H](C[NH3+])CNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414878192 447340259 /nfs/dbraw/zinc/34/02/59/447340259.db2.gz OBNRFASURXJXKG-CYBMUJFWSA-N 1 3 330.432 1.933 20 0 EDADHO CC[C@@H]1CN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087061 304885293 /nfs/dbraw/zinc/88/52/93/304885293.db2.gz NEVDFYZAQVVYDS-POAQFYNOSA-N 1 3 345.487 1.943 20 0 EDADHO C[C@@H](CCC[NH3+])[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000423111333 304886882 /nfs/dbraw/zinc/88/68/82/304886882.db2.gz IVOUIIXQMDHCPG-JTQLQIEISA-N 1 3 337.848 1.474 20 0 EDADHO [NH3+]C[C@@H]1CCCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000428617099 305012952 /nfs/dbraw/zinc/01/29/52/305012952.db2.gz INRMHGLYJGHSIW-SFHVURJKSA-N 1 3 344.503 1.786 20 0 EDADHO C[NH2+]CCCC(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000430877779 305066642 /nfs/dbraw/zinc/06/66/42/305066642.db2.gz KARFQDSGNNDFED-HNNXBMFYSA-N 1 3 332.448 1.322 20 0 EDADHO COc1ccccc1CN(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431037054 305073349 /nfs/dbraw/zinc/07/33/49/305073349.db2.gz ZMAKMTFBIJZWJL-UHFFFAOYSA-N 1 3 331.460 1.729 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104667 /nfs/dbraw/zinc/10/46/67/305104667.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104668 /nfs/dbraw/zinc/10/46/68/305104668.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 1 3 338.496 1.413 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000433381940 305107003 /nfs/dbraw/zinc/10/70/03/305107003.db2.gz MICFBIOLLCXLMZ-HNNXBMFYSA-N 1 3 328.420 1.517 20 0 EDADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CCN(C2CC2)C1 ZINC000452170798 305385712 /nfs/dbraw/zinc/38/57/12/305385712.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 1 3 335.492 1.573 20 0 EDADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CCN(C2CC2)C1 ZINC000452170798 305385713 /nfs/dbraw/zinc/38/57/13/305385713.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 1 3 335.492 1.573 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCO1 ZINC000516856141 305742727 /nfs/dbraw/zinc/74/27/27/305742727.db2.gz NGOVBVCBBHKUTG-QZTJIDSGSA-N 1 3 346.475 1.583 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2ccc(F)cc2c1 ZINC000534064813 306003349 /nfs/dbraw/zinc/00/33/49/306003349.db2.gz DQUAEMZSHQUMSP-UHFFFAOYSA-N 1 3 332.423 1.939 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OCC(F)F)n1 ZINC000534087240 306003589 /nfs/dbraw/zinc/00/35/89/306003589.db2.gz FFKNQVOGJZMWFN-UHFFFAOYSA-N 1 3 344.406 1.291 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCCNc2ccncc2)CC1 ZINC000535264135 306012321 /nfs/dbraw/zinc/01/23/21/306012321.db2.gz IWMZTXFAYSKGHT-UHFFFAOYSA-N 1 3 339.443 1.652 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000536353667 306020194 /nfs/dbraw/zinc/02/01/94/306020194.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 1 3 346.475 1.015 20 0 EDADHO C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000536353667 306020195 /nfs/dbraw/zinc/02/01/95/306020195.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 1 3 346.475 1.015 20 0 EDADHO C[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539044352 306034097 /nfs/dbraw/zinc/03/40/97/306034097.db2.gz KXBXUWPMTRKDPX-UONOGXRCSA-N 1 3 328.478 1.711 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135836 306224951 /nfs/dbraw/zinc/22/49/51/306224951.db2.gz SVUXCCGKBKTFGC-NCXUSEDFSA-N 1 3 342.487 1.948 20 0 EDADHO COCC1(CNCc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000414981279 447383830 /nfs/dbraw/zinc/38/38/30/447383830.db2.gz WXMUACDJIYZMME-UHFFFAOYSA-N 1 3 328.254 1.950 20 0 EDADHO CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](CN)CC(C)C)cc1 ZINC000415426440 447427709 /nfs/dbraw/zinc/42/77/09/447427709.db2.gz LTOAUUJRMQXKMT-KRWDZBQOSA-N 1 3 348.491 1.957 20 0 EDADHO O=C(NC1CCN(C2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045410529 440982646 /nfs/dbraw/zinc/98/26/46/440982646.db2.gz MFACKIPPQATMCI-UHFFFAOYSA-N 1 3 329.448 1.540 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000105082506 441230855 /nfs/dbraw/zinc/23/08/55/441230855.db2.gz KEAAAEAPYMEDKQ-ROUUACIJSA-N 1 3 332.492 1.895 20 0 EDADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCOCC1 ZINC000080734871 441193044 /nfs/dbraw/zinc/19/30/44/441193044.db2.gz LFHJEEHBOXJTOB-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000105186074 441241079 /nfs/dbraw/zinc/24/10/79/441241079.db2.gz UVZLCPBEAXMYPY-IXDOHACOSA-N 1 3 342.528 1.572 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000105186074 441241083 /nfs/dbraw/zinc/24/10/83/441241083.db2.gz UVZLCPBEAXMYPY-IXDOHACOSA-N 1 3 342.528 1.572 20 0 EDADHO C[NH+](C)C(C)(C)CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000072812460 441261722 /nfs/dbraw/zinc/26/17/22/441261722.db2.gz VOYZVLZDPATYIF-UHFFFAOYSA-N 1 3 332.492 1.655 20 0 EDADHO Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c(CN(C)C)c1 ZINC000074677780 441455943 /nfs/dbraw/zinc/45/59/43/441455943.db2.gz RCYDGPGUIGIQKR-INIZCTEOSA-N 1 3 346.475 1.405 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836307 441557868 /nfs/dbraw/zinc/55/78/68/441557868.db2.gz UZBQXWPTAMTABB-KRWDZBQOSA-N 1 3 336.524 1.395 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536793 441783584 /nfs/dbraw/zinc/78/35/84/441783584.db2.gz PGINQVMBRGAYAE-OAHLLOKOSA-N 1 3 349.479 1.265 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536793 441783590 /nfs/dbraw/zinc/78/35/90/441783590.db2.gz PGINQVMBRGAYAE-OAHLLOKOSA-N 1 3 349.479 1.265 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000077829815 441873468 /nfs/dbraw/zinc/87/34/68/441873468.db2.gz VARGYEABMXKNFH-UHFFFAOYSA-N 1 3 348.491 1.299 20 0 EDADHO CN(c1ccccc1CN(CCO)CCCO)C1CC[NH+](C)CC1 ZINC000093324024 441877124 /nfs/dbraw/zinc/87/71/24/441877124.db2.gz NATGBFSANGWFBC-UHFFFAOYSA-N 1 3 335.492 1.394 20 0 EDADHO C[NH+]1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000174022312 441879805 /nfs/dbraw/zinc/87/98/05/441879805.db2.gz YAHVZYBQBSAJFU-UHFFFAOYSA-N 1 3 330.476 1.409 20 0 EDADHO Cc1cnc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000079082229 442018437 /nfs/dbraw/zinc/01/84/37/442018437.db2.gz WWAMFNUCPNSKBV-CYBMUJFWSA-N 1 3 327.498 1.647 20 0 EDADHO CN(C)CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079208802 442029280 /nfs/dbraw/zinc/02/92/80/442029280.db2.gz OTWNYYVFVNIUPZ-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CSc1nsc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000120250162 442036009 /nfs/dbraw/zinc/03/60/09/442036009.db2.gz RWVBIZOBURGXPT-UHFFFAOYSA-N 1 3 332.499 1.217 20 0 EDADHO Cc1cccc(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000163822570 442183896 /nfs/dbraw/zinc/18/38/96/442183896.db2.gz AEZWDYPTLYZEIH-UHFFFAOYSA-N 1 3 334.464 1.194 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000166616340 442217698 /nfs/dbraw/zinc/21/76/98/442217698.db2.gz CJWHGQDKWPUUCM-GFCCVEGCSA-N 1 3 332.404 1.094 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153506495 442286661 /nfs/dbraw/zinc/28/66/61/442286661.db2.gz ZWZKJIXJFJCULD-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000153506495 442286663 /nfs/dbraw/zinc/28/66/63/442286663.db2.gz ZWZKJIXJFJCULD-MRXNPFEDSA-N 1 3 340.512 1.349 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000128268868 442256864 /nfs/dbraw/zinc/25/68/64/442256864.db2.gz OJJPTQQDCQFRFT-UHFFFAOYSA-N 1 3 336.446 1.630 20 0 EDADHO CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000130619495 442351469 /nfs/dbraw/zinc/35/14/69/442351469.db2.gz GXSSPHAOCFWHQG-DLBZAZTESA-N 1 3 345.491 1.180 20 0 EDADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000154932554 442365810 /nfs/dbraw/zinc/36/58/10/442365810.db2.gz HOMXSTQJRRNEAI-CVEARBPZSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@@H](CNC(=O)c1ccnc(OCCN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000154932554 442365813 /nfs/dbraw/zinc/36/58/13/442365813.db2.gz HOMXSTQJRRNEAI-CVEARBPZSA-N 1 3 348.491 1.872 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192003407 442562046 /nfs/dbraw/zinc/56/20/46/442562046.db2.gz SUOWNQZEWDRLLO-HNAYVOBHSA-N 1 3 345.487 1.965 20 0 EDADHO C[N@H+](CCCS(N)(=O)=O)CCC1CCN(c2ccncc2)CC1 ZINC000179393627 442639988 /nfs/dbraw/zinc/63/99/88/442639988.db2.gz DCQBEUKXTPRWKA-UHFFFAOYSA-N 1 3 340.493 1.299 20 0 EDADHO C[N@@H+](CCCS(N)(=O)=O)CCC1CCN(c2ccncc2)CC1 ZINC000179393627 442639991 /nfs/dbraw/zinc/63/99/91/442639991.db2.gz DCQBEUKXTPRWKA-UHFFFAOYSA-N 1 3 340.493 1.299 20 0 EDADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000193591296 442757521 /nfs/dbraw/zinc/75/75/21/442757521.db2.gz ICRUQNUNVTWKHN-AEFFLSMTSA-N 1 3 330.476 1.455 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783252 /nfs/dbraw/zinc/78/32/52/442783252.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783256 /nfs/dbraw/zinc/78/32/56/442783256.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 1 3 328.501 1.326 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@H](F)CN3)cc2)CC1 ZINC000188796178 442815264 /nfs/dbraw/zinc/81/52/64/442815264.db2.gz KDKHOAHKPMGHGG-DOTOQJQBSA-N 1 3 334.439 1.463 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188998828 442857999 /nfs/dbraw/zinc/85/79/99/442857999.db2.gz GOSZMFWYXQDSCM-CJNGLKHVSA-N 1 3 325.403 1.867 20 0 EDADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148202 442870688 /nfs/dbraw/zinc/87/06/88/442870688.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCN(C)Cc1ccccc1 ZINC000268148202 442870694 /nfs/dbraw/zinc/87/06/94/442870694.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 1 3 330.476 1.900 20 0 EDADHO COC[C@H]([NH2+]Cc1ccnc(OCCN(C)C)c1)C1CCOCC1 ZINC000188286320 318559192 /nfs/dbraw/zinc/55/91/92/318559192.db2.gz LRMPOIAGVABNKK-KRWDZBQOSA-N 1 3 337.464 1.553 20 0 EDADHO COCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000195137243 442988573 /nfs/dbraw/zinc/98/85/73/442988573.db2.gz KAYIFCUCSOTXLH-GOSISDBHSA-N 1 3 348.491 1.699 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000252348598 443022349 /nfs/dbraw/zinc/02/23/49/443022349.db2.gz CUPYJADLOFPAFK-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000252348598 443022353 /nfs/dbraw/zinc/02/23/53/443022353.db2.gz CUPYJADLOFPAFK-ZWKOTPCHSA-N 1 3 332.492 1.800 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCN3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000185028542 443121507 /nfs/dbraw/zinc/12/15/07/443121507.db2.gz DOYIFIUMSHGQJM-QXAKKESOSA-N 1 3 342.487 1.394 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185329048 443183643 /nfs/dbraw/zinc/18/36/43/443183643.db2.gz TZVHNTROSLGHNO-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185329048 443183644 /nfs/dbraw/zinc/18/36/44/443183644.db2.gz TZVHNTROSLGHNO-MRXNPFEDSA-N 1 3 341.544 1.432 20 0 EDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237986495 443191098 /nfs/dbraw/zinc/19/10/98/443191098.db2.gz POILFJIVWNZDJY-HKUYNNGSSA-N 1 3 344.503 1.832 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)CNC[C@H]1CCCO1)Cc1ccccc1 ZINC000269223676 443238354 /nfs/dbraw/zinc/23/83/54/443238354.db2.gz BGULYBYSPCZDPU-RTBURBONSA-N 1 3 347.503 1.824 20 0 EDADHO C[C@H](C[C@H]1COCCN1)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000397590109 319136086 /nfs/dbraw/zinc/13/60/86/319136086.db2.gz LVZJNQMPAOSOIU-MJGOQNOKSA-N 1 3 347.503 1.370 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000411783168 319203475 /nfs/dbraw/zinc/20/34/75/319203475.db2.gz FKLMSGXPQYILFV-FUHWJXTLSA-N 1 3 327.513 1.466 20 0 EDADHO CC[N@H+]1CC[C@@H](NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000413859745 319294339 /nfs/dbraw/zinc/29/43/39/319294339.db2.gz NKVQVGOTPYDJJZ-NVXWUHKLSA-N 1 3 334.464 1.691 20 0 EDADHO Cc1cncc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414194108 319319181 /nfs/dbraw/zinc/31/91/81/319319181.db2.gz NGDLOGXFSMSCKT-QGZVFWFLSA-N 1 3 332.492 1.837 20 0 EDADHO CC[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)Oc1ccccc1C ZINC000415082328 319345690 /nfs/dbraw/zinc/34/56/90/319345690.db2.gz OEYWYCKJRIRUFM-IRXDYDNUSA-N 1 3 333.476 1.939 20 0 EDADHO CCCCN(C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415234293 319354768 /nfs/dbraw/zinc/35/47/68/319354768.db2.gz XUHQOHPOTFQNGX-KBPBESRZSA-N 1 3 334.464 1.881 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185813472 443262970 /nfs/dbraw/zinc/26/29/70/443262970.db2.gz YJCPWEJPHXENHB-SJORKVTESA-N 1 3 341.544 1.288 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000266853810 443267913 /nfs/dbraw/zinc/26/79/13/443267913.db2.gz RZWUSDZYWQKLCM-LJQANCHMSA-N 1 3 344.503 1.670 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000416827903 319464571 /nfs/dbraw/zinc/46/45/71/319464571.db2.gz DGWPCZXZUABRIP-QZTJIDSGSA-N 1 3 332.492 1.991 20 0 EDADHO CC(C)N(C)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267232093 443386627 /nfs/dbraw/zinc/38/66/27/443386627.db2.gz PNVRFKVSTKDBAX-UHFFFAOYSA-N 1 3 333.476 1.600 20 0 EDADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419126008 319558867 /nfs/dbraw/zinc/55/88/67/319558867.db2.gz VDWMSWIECHUSDV-DOTOQJQBSA-N 1 3 346.475 1.183 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267290571 443407012 /nfs/dbraw/zinc/40/70/12/443407012.db2.gz XQOZQCIGWMWXMY-IHPCNDPISA-N 1 3 347.503 1.495 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946517 319739933 /nfs/dbraw/zinc/73/99/33/319739933.db2.gz OZPSBVUSWWIWGN-UKRRQHHQSA-N 1 3 343.493 1.341 20 0 EDADHO CC(C)C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)NCCN(C)C ZINC000423023861 319746978 /nfs/dbraw/zinc/74/69/78/319746978.db2.gz IHGLXEPAOQXVIW-KURKYZTESA-N 1 3 332.492 1.813 20 0 EDADHO CC[NH+](CC)CCOCCN(CCC(=O)NC)Cc1ccccc1 ZINC000273098788 443538527 /nfs/dbraw/zinc/53/85/27/443538527.db2.gz VEJWWVAOPRJQQX-UHFFFAOYSA-N 1 3 335.492 1.983 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861348 320084331 /nfs/dbraw/zinc/08/43/31/320084331.db2.gz QNURMCWYODLRNU-UYSNPLJNSA-N 1 3 326.485 1.127 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000441345408 320093725 /nfs/dbraw/zinc/09/37/25/320093725.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 1 3 336.524 1.536 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000441345408 320093726 /nfs/dbraw/zinc/09/37/26/320093726.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 1 3 336.524 1.536 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC(=O)N(CC)C2)CC1 ZINC000449516504 320193334 /nfs/dbraw/zinc/19/33/34/320193334.db2.gz GMZXXPLLGOHPHK-GOSISDBHSA-N 1 3 344.503 1.929 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000452157853 320245055 /nfs/dbraw/zinc/24/50/55/320245055.db2.gz YKEMKPBZIPPVJB-MJGOQNOKSA-N 1 3 337.508 1.724 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000458127148 320336514 /nfs/dbraw/zinc/33/65/14/320336514.db2.gz IBRYGBCMSCYFAK-QGZVFWFLSA-N 1 3 340.512 1.254 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCCOCCN(C)C)[NH+]1CCC(C)CC1 ZINC000471647585 320353221 /nfs/dbraw/zinc/35/32/21/320353221.db2.gz QIDHYABNRJPBJA-QGZVFWFLSA-N 1 3 342.528 1.620 20 0 EDADHO CN1CC[C@@]2(CC[N@H+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785889 /nfs/dbraw/zinc/78/58/89/443785889.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 1 3 336.461 1.203 20 0 EDADHO CN1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C2)C1 ZINC000292245411 443785893 /nfs/dbraw/zinc/78/58/93/443785893.db2.gz XETUPJWQLJVAMX-MRXNPFEDSA-N 1 3 336.461 1.203 20 0 EDADHO CN1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000299466309 444053616 /nfs/dbraw/zinc/05/36/16/444053616.db2.gz ZMQSIFNFXZMGNM-UHFFFAOYSA-N 1 3 334.464 1.474 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556860242 320995369 /nfs/dbraw/zinc/99/53/69/320995369.db2.gz ZCYWCSHGZAOLSP-OAHLLOKOSA-N 1 3 346.475 1.696 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000562674417 321068840 /nfs/dbraw/zinc/06/88/40/321068840.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000562674417 321068841 /nfs/dbraw/zinc/06/88/41/321068841.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 1 3 340.512 1.253 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000563075827 321094000 /nfs/dbraw/zinc/09/40/00/321094000.db2.gz ULJKEZMYAYQQSC-BRWVUGGUSA-N 1 3 325.497 1.493 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCc2ccc(C[NH3+])cc2)CCCO1 ZINC000563091804 321094866 /nfs/dbraw/zinc/09/48/66/321094866.db2.gz FFUVJSJOVDMABZ-HNNXBMFYSA-N 1 3 334.464 1.445 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000565038722 321165498 /nfs/dbraw/zinc/16/54/98/321165498.db2.gz VMGNIZRKMLLMLP-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCOC2CNC2)CC1 ZINC000565038722 321165499 /nfs/dbraw/zinc/16/54/99/321165499.db2.gz VMGNIZRKMLLMLP-INIZCTEOSA-N 1 3 337.508 1.868 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000565881658 321204893 /nfs/dbraw/zinc/20/48/93/321204893.db2.gz SJYQIARPDIRVEE-SFHVURJKSA-N 1 3 345.491 1.067 20 0 EDADHO CN1CCN(CCCNC(=O)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000566165426 321220571 /nfs/dbraw/zinc/22/05/71/321220571.db2.gz PCQGZAUXBLTGKV-SFHVURJKSA-N 1 3 332.492 1.610 20 0 EDADHO O[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Cc1ccccc1C(F)(F)F ZINC000570569929 321348535 /nfs/dbraw/zinc/34/85/35/321348535.db2.gz HJZMZHDFVWFIFH-HUUCEWRRSA-N 1 3 346.393 1.655 20 0 EDADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCOC2(CNC2)C1 ZINC000570617757 321350223 /nfs/dbraw/zinc/35/02/23/321350223.db2.gz UEGJHOMRZCQNJN-UHFFFAOYSA-N 1 3 344.459 1.166 20 0 EDADHO C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289532986 444165858 /nfs/dbraw/zinc/16/58/58/444165858.db2.gz QANHKAZBLZYSDO-WZGPROSRSA-N 1 3 341.459 1.718 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778908 444202150 /nfs/dbraw/zinc/20/21/50/444202150.db2.gz IYHTVTSEMPHCQZ-SJORKVTESA-N 1 3 347.459 1.247 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289778908 444202151 /nfs/dbraw/zinc/20/21/51/444202151.db2.gz IYHTVTSEMPHCQZ-SJORKVTESA-N 1 3 347.459 1.247 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000303985077 444238859 /nfs/dbraw/zinc/23/88/59/444238859.db2.gz HZMPURPUEZEUJF-SJORKVTESA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759470 444320005 /nfs/dbraw/zinc/32/00/05/444320005.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 1 3 334.508 1.507 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N(C)Cc1ccccc1 ZINC000290759470 444320007 /nfs/dbraw/zinc/32/00/07/444320007.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 1 3 334.508 1.507 20 0 EDADHO C[C@H](C(=O)NCCCN(C)CC[NH+](C)C)N(C)Cc1ccccc1 ZINC000290759470 444320009 /nfs/dbraw/zinc/32/00/09/444320009.db2.gz ZOIYNCQQGPNSJV-QGZVFWFLSA-N 1 3 334.508 1.507 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)CC1 ZINC000331027885 444365116 /nfs/dbraw/zinc/36/51/16/444365116.db2.gz WJBNNGPJOORIDL-OAGGEKHMSA-N 1 3 325.497 1.599 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000580307622 322034193 /nfs/dbraw/zinc/03/41/93/322034193.db2.gz YKXCDTSPUOMFSR-HUUCEWRRSA-N 1 3 340.512 1.070 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000580540129 322063586 /nfs/dbraw/zinc/06/35/86/322063586.db2.gz JNPSXRFDTQHBLN-INIZCTEOSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000581321929 322164547 /nfs/dbraw/zinc/16/45/47/322164547.db2.gz CWKJCLCXSZKZCE-MRXNPFEDSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765731 444575489 /nfs/dbraw/zinc/57/54/89/444575489.db2.gz IUPGFDBPJMXSHL-QIPOYEBXSA-N 1 3 335.492 1.284 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000342158180 444540030 /nfs/dbraw/zinc/54/00/30/444540030.db2.gz GZOHABVHAVLKSR-QGZVFWFLSA-N 1 3 330.476 1.827 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000341214343 444733015 /nfs/dbraw/zinc/73/30/15/444733015.db2.gz YSCBBYRKFKZJNY-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000341214343 444733017 /nfs/dbraw/zinc/73/30/17/444733017.db2.gz YSCBBYRKFKZJNY-PMPSAXMXSA-N 1 3 326.485 1.221 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000341134425 444690684 /nfs/dbraw/zinc/69/06/84/444690684.db2.gz UKLOBUHWMNQTCW-SJLPKXTDSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000341134425 444690688 /nfs/dbraw/zinc/69/06/88/444690688.db2.gz UKLOBUHWMNQTCW-SJLPKXTDSA-N 1 3 340.512 1.471 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCC2 ZINC000344138478 444802483 /nfs/dbraw/zinc/80/24/83/444802483.db2.gz NJPJCWFAIACFDA-ZWKOTPCHSA-N 1 3 339.524 1.314 20 0 EDADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000341432404 444827192 /nfs/dbraw/zinc/82/71/92/444827192.db2.gz LGVOLMHCDZIJTG-OAHLLOKOSA-N 1 3 342.528 1.905 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)c2cccc(CN3CCCC3)c2)n1 ZINC000338746765 444834343 /nfs/dbraw/zinc/83/43/43/444834343.db2.gz RAEXILWGHUDRIC-UHFFFAOYSA-N 1 3 341.459 2.293 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342766559 444855881 /nfs/dbraw/zinc/85/58/81/444855881.db2.gz VYSJULDYSBWYQO-GDBMZVCRSA-N 1 3 344.459 1.322 20 0 EDADHO C[C@@H]1CN(C[C@H](O)Cc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339060508 445013465 /nfs/dbraw/zinc/01/34/65/445013465.db2.gz ZJVYDJARBKOGKI-AHRSYUTCSA-N 1 3 349.494 1.687 20 0 EDADHO COc1cc(C)c(C[C@H](C)NC[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399973 445062960 /nfs/dbraw/zinc/06/29/60/445062960.db2.gz QUFHOSBSIZOSBJ-DOTOQJQBSA-N 1 3 336.476 1.990 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H](O)CN2CCCCC2)CCCCC1 ZINC000337347687 445041840 /nfs/dbraw/zinc/04/18/40/445041840.db2.gz XXVSRJXPDMZWJD-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046293 /nfs/dbraw/zinc/04/62/93/445046293.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 1 3 332.492 1.727 20 0 EDADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@@H+](C)[C@@H]2c2cccnc2)CCO1 ZINC000337357921 445046297 /nfs/dbraw/zinc/04/62/97/445046297.db2.gz CYMLIDUADAGXMT-BHIYHBOVSA-N 1 3 332.492 1.727 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138276 /nfs/dbraw/zinc/13/82/76/445138276.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 1 3 344.459 1.532 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138279 /nfs/dbraw/zinc/13/82/79/445138279.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 1 3 344.459 1.532 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000339223557 445098559 /nfs/dbraw/zinc/09/85/59/445098559.db2.gz BVHCEURSFVNIQO-HOTGVXAUSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339223557 445098562 /nfs/dbraw/zinc/09/85/62/445098562.db2.gz BVHCEURSFVNIQO-HOTGVXAUSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085554 445231298 /nfs/dbraw/zinc/23/12/98/445231298.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H]1[C@@H](N(C)CCO)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000347085554 445231300 /nfs/dbraw/zinc/23/13/00/445231300.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 1 3 337.508 1.555 20 0 EDADHO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CCN(CC)CC3)nc2)C1 ZINC000343564086 445244840 /nfs/dbraw/zinc/24/48/40/445244840.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3C[N@H+](CC)C[C@H]3C)cn2)CC1 ZINC000343564086 445244841 /nfs/dbraw/zinc/24/48/41/445244841.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CCN1CCN(c2ccc(CN[C@H]3C[N@@H+](CC)C[C@H]3C)cn2)CC1 ZINC000343564086 445244842 /nfs/dbraw/zinc/24/48/42/445244842.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 1 3 331.508 1.653 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000348324469 445256908 /nfs/dbraw/zinc/25/69/08/445256908.db2.gz XTSGQFRVXNOTKD-BZSNNMDCSA-N 1 3 327.513 1.170 20 0 EDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348324469 445256912 /nfs/dbraw/zinc/25/69/12/445256912.db2.gz XTSGQFRVXNOTKD-BZSNNMDCSA-N 1 3 327.513 1.170 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000348131113 445285417 /nfs/dbraw/zinc/28/54/17/445285417.db2.gz ZVIJPBQNVBTCDA-ARFHVFGLSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000351854823 445344279 /nfs/dbraw/zinc/34/42/79/445344279.db2.gz RSXGWRGGCQEJBD-GHMZBOCLSA-N 1 3 338.839 1.437 20 0 EDADHO C[C@H](C(=O)NCc1ccc(CN2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000357254788 445510302 /nfs/dbraw/zinc/51/03/02/445510302.db2.gz ZJMFVRIWNPBPLM-AWEZNQCLSA-N 1 3 331.460 1.115 20 0 EDADHO CN(C[C@@H](O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496052 /nfs/dbraw/zinc/49/60/52/445496052.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 1 3 332.492 1.854 20 0 EDADHO CN(C[C@@H](O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)C1CC1 ZINC000352106436 445496059 /nfs/dbraw/zinc/49/60/59/445496059.db2.gz WDNPWWQRZYXRCL-MAUKXSAKSA-N 1 3 332.492 1.854 20 0 EDADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000353027660 445572249 /nfs/dbraw/zinc/57/22/49/445572249.db2.gz JIJSPEYJDDSIAS-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCC2(SC)CCN(C)CC2)C1 ZINC000353027660 445572255 /nfs/dbraw/zinc/57/22/55/445572255.db2.gz JIJSPEYJDDSIAS-HNNXBMFYSA-N 1 3 342.553 1.845 20 0 EDADHO CC[NH+](CC)CC1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358527385 445634634 /nfs/dbraw/zinc/63/46/34/445634634.db2.gz MSOMFLGLJACMKB-LNLFQRSKSA-N 1 3 341.540 1.510 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000349914568 445719864 /nfs/dbraw/zinc/71/98/64/445719864.db2.gz TVMHSEVHKJLVSO-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO COC1(C[C@@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)CCC1 ZINC000353667308 445699782 /nfs/dbraw/zinc/69/97/82/445699782.db2.gz CHWPERITFPAOJA-MRXNPFEDSA-N 1 3 325.497 1.916 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000356191556 445669016 /nfs/dbraw/zinc/66/90/16/445669016.db2.gz RSPKHTBTIZGDAY-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000356191556 445669020 /nfs/dbraw/zinc/66/90/20/445669020.db2.gz RSPKHTBTIZGDAY-INIZCTEOSA-N 1 3 342.528 1.717 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363081946 445670026 /nfs/dbraw/zinc/67/00/26/445670026.db2.gz VHLGRZDORSCPMY-DLBZAZTESA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363081946 445670031 /nfs/dbraw/zinc/67/00/31/445670031.db2.gz VHLGRZDORSCPMY-DLBZAZTESA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363081949 445670235 /nfs/dbraw/zinc/67/02/35/445670235.db2.gz VHLGRZDORSCPMY-SJORKVTESA-N 1 3 335.492 1.765 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363081949 445670237 /nfs/dbraw/zinc/67/02/37/445670237.db2.gz VHLGRZDORSCPMY-SJORKVTESA-N 1 3 335.492 1.765 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000358727388 445745551 /nfs/dbraw/zinc/74/55/51/445745551.db2.gz RFZDZGKULXSVNG-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CC(C)C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)C(=O)NCCN(C)C ZINC000361456357 445768476 /nfs/dbraw/zinc/76/84/76/445768476.db2.gz JQDZMDRQAFYBFO-OAHLLOKOSA-N 1 3 348.482 1.398 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000364850233 445963371 /nfs/dbraw/zinc/96/33/71/445963371.db2.gz KAEZNLLGZQSUMN-SFHVURJKSA-N 1 3 330.476 1.386 20 0 EDADHO CC[NH2+]CCCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000582835225 325938140 /nfs/dbraw/zinc/93/81/40/325938140.db2.gz ZPVVVHUOCGAIGI-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CC(C)N1CCO[C@H](CN2CCN(CCC3CC[NH2+]CC3)CC2)C1 ZINC000359214963 446044344 /nfs/dbraw/zinc/04/43/44/446044344.db2.gz HYZXDIHIDVDAOC-LJQANCHMSA-N 1 3 338.540 1.103 20 0 EDADHO CCCCOC[C@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000365310996 446139209 /nfs/dbraw/zinc/13/92/09/446139209.db2.gz VWGGFAGJNNWLNI-LJQANCHMSA-N 1 3 341.540 1.654 20 0 EDADHO CCN1CCc2c(cccc2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000366359230 446172356 /nfs/dbraw/zinc/17/23/56/446172356.db2.gz CVJYWDYZZDFTFD-CQSZACIVSA-N 1 3 346.475 1.460 20 0 EDADHO OCCOC1(C[NH2+]C2CCN(C3CCCC3)CC2)CCOCC1 ZINC000370180404 446188826 /nfs/dbraw/zinc/18/88/26/446188826.db2.gz CHEFEAPBJSOERJ-UHFFFAOYSA-N 1 3 326.481 1.541 20 0 EDADHO OCCOC1(CNC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000370180404 446188832 /nfs/dbraw/zinc/18/88/32/446188832.db2.gz CHEFEAPBJSOERJ-UHFFFAOYSA-N 1 3 326.481 1.541 20 0 EDADHO C[NH2+]CC1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)CC1 ZINC000366329236 446156371 /nfs/dbraw/zinc/15/63/71/446156371.db2.gz XVVTZHYCEIXMIN-UHFFFAOYSA-N 1 3 333.480 1.441 20 0 EDADHO CN1CCN(C(=O)CCN2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288072 446215377 /nfs/dbraw/zinc/21/53/77/446215377.db2.gz LKDWSYSDUFFNIF-GOSISDBHSA-N 1 3 336.524 1.348 20 0 EDADHO CN(c1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCN(C)CC1 ZINC000359463221 446238641 /nfs/dbraw/zinc/23/86/41/446238641.db2.gz ZAEHIWJBYADHQA-ROUUACIJSA-N 1 3 328.504 1.868 20 0 EDADHO CCN(CCO)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000370344390 446238760 /nfs/dbraw/zinc/23/87/60/446238760.db2.gz XBHRLZYRYASLCE-UHFFFAOYSA-N 1 3 334.464 1.037 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](CO)C(C)C)CC1 ZINC000362182991 446250880 /nfs/dbraw/zinc/25/08/80/446250880.db2.gz RJCRZKJVHBBLSW-IBGZPJMESA-N 1 3 347.503 1.682 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](CO)C(C)C)CC1 ZINC000362182992 446250938 /nfs/dbraw/zinc/25/09/38/446250938.db2.gz RJCRZKJVHBBLSW-LJQANCHMSA-N 1 3 347.503 1.682 20 0 EDADHO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365553424 446251636 /nfs/dbraw/zinc/25/16/36/446251636.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 1 3 338.496 1.269 20 0 EDADHO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000365553424 446251641 /nfs/dbraw/zinc/25/16/41/446251641.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 1 3 338.496 1.269 20 0 EDADHO CC1CCC([NH+]2CCC(NC(=O)[C@@H](N)C3CCOCC3)CC2)CC1 ZINC000370582402 446342439 /nfs/dbraw/zinc/34/24/39/446342439.db2.gz FBEXQNRMLKXHKE-UYJHFMRCSA-N 1 3 337.508 1.900 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000417955390 446398837 /nfs/dbraw/zinc/39/88/37/446398837.db2.gz RNTBFECMOYUZTN-GOEBONIOSA-N 1 3 349.479 1.433 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(CCCOC)CC1 ZINC000365808891 446350623 /nfs/dbraw/zinc/35/06/23/446350623.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 1 3 342.528 1.861 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(CCCOC)CC1 ZINC000365808891 446350627 /nfs/dbraw/zinc/35/06/27/446350627.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 1 3 342.528 1.861 20 0 EDADHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770627 446428136 /nfs/dbraw/zinc/42/81/36/446428136.db2.gz DRIRCCFCGUJNJE-SEPJDSBXSA-N 1 3 349.519 1.913 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420253444 446433909 /nfs/dbraw/zinc/43/39/09/446433909.db2.gz AXBRTKVCVXOSLP-BETUJISGSA-N 1 3 333.484 1.372 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989594 446409309 /nfs/dbraw/zinc/40/93/09/446409309.db2.gz TYONWTKGYRRYST-RDJZCZTQSA-N 1 3 334.464 1.185 20 0 EDADHO COCC[NH2+]CCNC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000418046004 446423850 /nfs/dbraw/zinc/42/38/50/446423850.db2.gz PSEQNGQZZUQNCB-LJQANCHMSA-N 1 3 348.491 1.576 20 0 EDADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420298528 446462380 /nfs/dbraw/zinc/46/23/80/446462380.db2.gz HOATXBLFNLYOCO-IBGZPJMESA-N 1 3 344.503 1.310 20 0 EDADHO C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCCC[C@H]1C ZINC000423325994 446488931 /nfs/dbraw/zinc/48/89/31/446488931.db2.gz KINFLYGLNXPIAX-HLLBOEOZSA-N 1 3 333.480 1.800 20 0 EDADHO CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1C[C@H](C)O ZINC000420325940 446493689 /nfs/dbraw/zinc/49/36/89/446493689.db2.gz WWJUOBGZSWSYRD-RYQLBKOJSA-N 1 3 335.492 1.515 20 0 EDADHO O=C(NCCCNCc1cccnc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418333815 446503375 /nfs/dbraw/zinc/50/33/75/446503375.db2.gz VPMAVHXNQSKDEK-GVDBMIGSSA-N 1 3 331.464 1.249 20 0 EDADHO O=C(NCC1C[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418480959 446559528 /nfs/dbraw/zinc/55/95/28/446559528.db2.gz CCAWHOZSRPLGBA-ROUUACIJSA-N 1 3 328.460 1.369 20 0 EDADHO C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)N(C)Cc1ccccc1 ZINC000423407627 446522346 /nfs/dbraw/zinc/52/23/46/446522346.db2.gz MUSXMHDCZXTVAL-OAHLLOKOSA-N 1 3 344.463 1.267 20 0 EDADHO O=C(N[C@@H]1CC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000418387228 446524044 /nfs/dbraw/zinc/52/40/44/446524044.db2.gz QWFBANVAHXCUMZ-OKZBNKHCSA-N 1 3 328.460 1.512 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419743 446526063 /nfs/dbraw/zinc/52/60/63/446526063.db2.gz JATDAHQIANVIAK-DLBZAZTESA-N 1 3 333.480 1.802 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398164 446528095 /nfs/dbraw/zinc/52/80/95/446528095.db2.gz KGNYVQYGBPHZOD-ZWKOTPCHSA-N 1 3 345.491 1.815 20 0 EDADHO C[C@H](C(=O)N(C)c1ccccc1)N(C)CCC[NH+]1CCN(C)CC1 ZINC000411426934 446536504 /nfs/dbraw/zinc/53/65/04/446536504.db2.gz NRNFGFKEPILCCE-QGZVFWFLSA-N 1 3 332.492 1.607 20 0 EDADHO COC(=O)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357979 446538681 /nfs/dbraw/zinc/53/86/81/446538681.db2.gz IJXPECDPUCXDPA-JKSUJKDBSA-N 1 3 331.460 1.983 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC(Cn3cncn3)CC2)cc1 ZINC000420363630 446543415 /nfs/dbraw/zinc/54/34/15/446543415.db2.gz BRAMINIBQCATDG-QGZVFWFLSA-N 1 3 329.448 1.741 20 0 EDADHO COc1ccc([C@H](CN)C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000420363630 446543418 /nfs/dbraw/zinc/54/34/18/446543418.db2.gz BRAMINIBQCATDG-QGZVFWFLSA-N 1 3 329.448 1.741 20 0 EDADHO c1nn(-c2ccccc2)cc1CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420366929 446546699 /nfs/dbraw/zinc/54/66/99/446546699.db2.gz VGTZEJORIWTBOV-SFHVURJKSA-N 1 3 339.487 1.990 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000420370580 446547770 /nfs/dbraw/zinc/54/77/70/446547770.db2.gz JPZKRHYOJMLUPI-JZXOWHBKSA-N 1 3 331.460 1.728 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423472244 446550319 /nfs/dbraw/zinc/55/03/19/446550319.db2.gz NBTHQZXEYWETGO-OYSPMZIOSA-N 1 3 335.467 1.875 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601117 446610196 /nfs/dbraw/zinc/61/01/96/446610196.db2.gz LKOJVHXIMVLAIG-SZVBFZGTSA-N 1 3 346.475 1.063 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000423637247 446620163 /nfs/dbraw/zinc/62/01/63/446620163.db2.gz BZIXWRRXXMQVDI-YJBOKZPZSA-N 1 3 330.476 1.779 20 0 EDADHO C[NH2+][C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000418615064 446617522 /nfs/dbraw/zinc/61/75/22/446617522.db2.gz FMNQLVYHJCJFCQ-LBPRGKRZSA-N 1 3 328.407 1.646 20 0 EDADHO C[NH2+]CCCN(C)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000420394319 446568838 /nfs/dbraw/zinc/56/88/38/446568838.db2.gz ZQPDGSIMUGIBGL-QGZVFWFLSA-N 1 3 346.519 1.697 20 0 EDADHO Cc1ccc(CCN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405982 446580389 /nfs/dbraw/zinc/58/03/89/446580389.db2.gz QFRBQHOJRBAGMD-RTBURBONSA-N 1 3 342.487 1.758 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1CN(C)C ZINC000411543141 446594169 /nfs/dbraw/zinc/59/41/69/446594169.db2.gz KDLMMKNOTGABTC-OAHLLOKOSA-N 1 3 348.491 1.840 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1CN(C)C ZINC000411543141 446594174 /nfs/dbraw/zinc/59/41/74/446594174.db2.gz KDLMMKNOTGABTC-OAHLLOKOSA-N 1 3 348.491 1.840 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686941 446648993 /nfs/dbraw/zinc/64/89/93/446648993.db2.gz QDVZYSNAKRMMMI-FJIDUMEYSA-N 1 3 328.460 1.478 20 0 EDADHO C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418695331 446651328 /nfs/dbraw/zinc/65/13/28/446651328.db2.gz JIQFWYIKWQQBQQ-APIJFGDWSA-N 1 3 326.485 1.253 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(C[NH3+])CCOCC1 ZINC000423739729 446671107 /nfs/dbraw/zinc/67/11/07/446671107.db2.gz HUFKRDDCOQVAKB-UHFFFAOYSA-N 1 3 333.476 1.852 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000418814528 446720488 /nfs/dbraw/zinc/72/04/88/446720488.db2.gz JTFSARZNHNSTPO-BEFAXECRSA-N 1 3 346.475 1.011 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271665 446730758 /nfs/dbraw/zinc/73/07/58/446730758.db2.gz UEIQMEXIRCKNSB-APWZRJJASA-N 1 3 333.476 1.639 20 0 EDADHO CN(C)C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000423751919 446682520 /nfs/dbraw/zinc/68/25/20/446682520.db2.gz ACKWKWPEYJEQSN-HOTGVXAUSA-N 1 3 339.867 1.828 20 0 EDADHO CCN1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418882907 446771754 /nfs/dbraw/zinc/77/17/54/446771754.db2.gz ZSGUDJCHEMLDAL-UHFFFAOYSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CC[NH2+]CC2 ZINC000424284601 446865337 /nfs/dbraw/zinc/86/53/37/446865337.db2.gz DHEAFWZWNVTYJS-IXDOHACOSA-N 1 3 335.492 1.620 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCC1)C(C)(C)C ZINC000419131222 446940405 /nfs/dbraw/zinc/94/04/05/446940405.db2.gz GLBUJQJFVCYVSY-CABCVRRESA-N 1 3 340.512 1.103 20 0 EDADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420977354 446949115 /nfs/dbraw/zinc/94/91/15/446949115.db2.gz HVBMZNLQLMEFHL-IAGOWNOFSA-N 1 3 338.540 1.782 20 0 EDADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420977354 446949123 /nfs/dbraw/zinc/94/91/23/446949123.db2.gz HVBMZNLQLMEFHL-IAGOWNOFSA-N 1 3 338.540 1.782 20 0 EDADHO CCOC(=O)CCCN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420978150 446952280 /nfs/dbraw/zinc/95/22/80/446952280.db2.gz IZRDUQWBVOPTKJ-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CCOC(=O)CCCN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420978150 446952287 /nfs/dbraw/zinc/95/22/87/446952287.db2.gz IZRDUQWBVOPTKJ-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CCOC(=O)CCCN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420978150 446952294 /nfs/dbraw/zinc/95/22/94/446952294.db2.gz IZRDUQWBVOPTKJ-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+]C1(C2CC2)CCOCC1)c1ccccc1 ZINC000375700887 446986833 /nfs/dbraw/zinc/98/68/33/446986833.db2.gz KGRCEAWJNXCGAJ-GOSISDBHSA-N 1 3 345.487 1.954 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000443062342 447002409 /nfs/dbraw/zinc/00/24/09/447002409.db2.gz ULWDUGJNUPAQML-ZWKOTPCHSA-N 1 3 344.503 1.690 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000419191355 447002860 /nfs/dbraw/zinc/00/28/60/447002860.db2.gz OAGCPVQJRFYSRZ-HUUCEWRRSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@H](CN)NC(=O)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000419191355 447002865 /nfs/dbraw/zinc/00/28/65/447002865.db2.gz OAGCPVQJRFYSRZ-HUUCEWRRSA-N 1 3 346.475 1.141 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213469 /nfs/dbraw/zinc/21/34/69/447213469.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CCN1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213477 /nfs/dbraw/zinc/21/34/77/447213477.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213484 /nfs/dbraw/zinc/21/34/84/447213484.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 1 3 336.520 1.951 20 0 EDADHO C[C@H](CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213489 /nfs/dbraw/zinc/21/34/89/447213489.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 1 3 336.520 1.951 20 0 EDADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000369028372 447274295 /nfs/dbraw/zinc/27/42/95/447274295.db2.gz QATMHYODUKGBQP-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419871481 447462962 /nfs/dbraw/zinc/46/29/62/447462962.db2.gz LACAXWYMNJFCEX-UHFFFAOYSA-N 1 3 340.512 1.199 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458813566 447481777 /nfs/dbraw/zinc/48/17/77/447481777.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458813566 447481785 /nfs/dbraw/zinc/48/17/85/447481785.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 1 3 328.501 1.253 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OCC)C2)[C@H](C)C1 ZINC000495382545 447500070 /nfs/dbraw/zinc/50/00/70/447500070.db2.gz QIJQEKYIAVMNNI-IKGGRYGDSA-N 1 3 341.496 1.944 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OCC)C2)[C@H](C)C1 ZINC000495382545 447500073 /nfs/dbraw/zinc/50/00/73/447500073.db2.gz QIJQEKYIAVMNNI-IKGGRYGDSA-N 1 3 341.496 1.944 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390847578 447502878 /nfs/dbraw/zinc/50/28/78/447502878.db2.gz BYWFXUOHJVZWBV-QZTJIDSGSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503028 447573874 /nfs/dbraw/zinc/57/38/74/447573874.db2.gz JAWMQYLFHNJYJP-GJZGRUSLSA-N 1 3 341.496 1.821 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292983 447576103 /nfs/dbraw/zinc/57/61/03/447576103.db2.gz WMNBXRAUELOXJP-HKUYNNGSSA-N 1 3 344.503 1.481 20 0 EDADHO C[C@@H](CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)[NH+](C)C ZINC000459049969 447553171 /nfs/dbraw/zinc/55/31/71/447553171.db2.gz ZVHNHXOWBHLIOG-QFBILLFUSA-N 1 3 348.491 1.215 20 0 EDADHO CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000420027749 447553535 /nfs/dbraw/zinc/55/35/35/447553535.db2.gz LEURMDZVIZAPNI-UXLLHSPISA-N 1 3 346.475 1.134 20 0 EDADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420126670 447619411 /nfs/dbraw/zinc/61/94/11/447619411.db2.gz NZNJXWNMBINFNX-WMLDXEAASA-N 1 3 346.475 1.265 20 0 EDADHO CN(C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000416855246 447697500 /nfs/dbraw/zinc/69/75/00/447697500.db2.gz VVERUVADJMNCSO-OKZBNKHCSA-N 1 3 330.476 1.553 20 0 EDADHO COC1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000408379511 447654876 /nfs/dbraw/zinc/65/48/76/447654876.db2.gz LJIWIVPGHSQKEW-SJORKVTESA-N 1 3 326.481 1.540 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(CC(=O)NC(C)(C)C)CC1)c1cnccc1N ZINC000422833354 447763754 /nfs/dbraw/zinc/76/37/54/447763754.db2.gz GNRYUNKWUHJFGE-CQSZACIVSA-N 1 3 347.507 1.771 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417013847 447730187 /nfs/dbraw/zinc/73/01/87/447730187.db2.gz CWZSKRRAUBBLPK-HZPDHXFCSA-N 1 3 338.496 1.258 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2ccc(N(C)C)nc2)CC[NH2+]CC1 ZINC000422836983 447764461 /nfs/dbraw/zinc/76/44/61/447764461.db2.gz SKZRPFZIZYLIEJ-CQSZACIVSA-N 1 3 334.464 1.559 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCN2CCCO)CC1 ZINC000458166939 447733494 /nfs/dbraw/zinc/73/34/94/447733494.db2.gz QTMWTHAQRRZOHK-KRWDZBQOSA-N 1 3 340.512 1.397 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417090341 447734746 /nfs/dbraw/zinc/73/47/46/447734746.db2.gz VWXPIQGFQPKVIS-HNNXBMFYSA-N 1 3 332.492 1.978 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422746955 447737487 /nfs/dbraw/zinc/73/74/87/447737487.db2.gz XRTOGHDYFGBSLK-UXHICEINSA-N 1 3 347.503 1.526 20 0 EDADHO O=C1CCCN1CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756889 447740834 /nfs/dbraw/zinc/74/08/34/447740834.db2.gz CPLQHYUDIAUMSZ-APWZRJJASA-N 1 3 329.444 1.844 20 0 EDADHO Cc1cc(NC(=O)[C@H]2CN3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225413 447749845 /nfs/dbraw/zinc/74/98/45/447749845.db2.gz YLFFUGLITAAWLG-QGZVFWFLSA-N 1 3 346.475 1.264 20 0 EDADHO C[C@@H](NC[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786613 447750654 /nfs/dbraw/zinc/75/06/54/447750654.db2.gz KWCIKHXHOWQXSN-NEPJUHHUSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1CNC1 ZINC000422786613 447750655 /nfs/dbraw/zinc/75/06/55/447750655.db2.gz KWCIKHXHOWQXSN-NEPJUHHUSA-N 1 3 332.366 1.934 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000422792195 447751643 /nfs/dbraw/zinc/75/16/43/447751643.db2.gz QXSAGPJINUDPNU-QZTJIDSGSA-N 1 3 338.540 1.293 20 0 EDADHO CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422824686 447760715 /nfs/dbraw/zinc/76/07/15/447760715.db2.gz HVZURPCKWBTDLX-ROUUACIJSA-N 1 3 346.523 1.499 20 0 EDADHO CC[C@H](NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824686 447760718 /nfs/dbraw/zinc/76/07/18/447760718.db2.gz HVZURPCKWBTDLX-ROUUACIJSA-N 1 3 346.523 1.499 20 0 EDADHO CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422824684 447761027 /nfs/dbraw/zinc/76/10/27/447761027.db2.gz HVZURPCKWBTDLX-MSOLQXFVSA-N 1 3 346.523 1.499 20 0 EDADHO CC[C@@H](NCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422824684 447761032 /nfs/dbraw/zinc/76/10/32/447761032.db2.gz HVZURPCKWBTDLX-MSOLQXFVSA-N 1 3 346.523 1.499 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927333 447774606 /nfs/dbraw/zinc/77/46/06/447774606.db2.gz GBYJBDSHEQEFGS-WHOFXGATSA-N 1 3 340.851 1.996 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927333 447774609 /nfs/dbraw/zinc/77/46/09/447774609.db2.gz GBYJBDSHEQEFGS-WHOFXGATSA-N 1 3 340.851 1.996 20 0 EDADHO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422986460 447787565 /nfs/dbraw/zinc/78/75/65/447787565.db2.gz GXCVAIPUUUXWPH-IAGOWNOFSA-N 1 3 332.448 1.181 20 0 EDADHO [NH3+]CC1CCC([NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000423112547 447807815 /nfs/dbraw/zinc/80/78/15/447807815.db2.gz XPUNIQNUJGEJQZ-UHFFFAOYSA-N 1 3 347.431 1.350 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000471667140 447809246 /nfs/dbraw/zinc/80/92/46/447809246.db2.gz YUBXNECUOGYUPK-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)CCOCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000471667140 447809249 /nfs/dbraw/zinc/80/92/49/447809249.db2.gz YUBXNECUOGYUPK-UHFFFAOYSA-N 1 3 326.485 1.225 20 0 EDADHO CC(C)(C)OC(=O)NC[C@](C)(O)CNCCC[NH+]1CCCCC1 ZINC000496607890 447832108 /nfs/dbraw/zinc/83/21/08/447832108.db2.gz MOJPLJNVDNLDGI-QGZVFWFLSA-N 1 3 329.485 1.728 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccnc1 ZINC000523484313 447889431 /nfs/dbraw/zinc/88/94/31/447889431.db2.gz AUBTWUVVOFORKA-GOSISDBHSA-N 1 3 332.492 1.889 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccnc1 ZINC000523484313 447889434 /nfs/dbraw/zinc/88/94/34/447889434.db2.gz AUBTWUVVOFORKA-GOSISDBHSA-N 1 3 332.492 1.889 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000530805321 447961164 /nfs/dbraw/zinc/96/11/64/447961164.db2.gz DOFYRTLXGACKPT-IBGZPJMESA-N 1 3 331.460 1.226 20 0 EDADHO C[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C(=O)NCCN1CCCCC1 ZINC000575921431 447927959 /nfs/dbraw/zinc/92/79/59/447927959.db2.gz ZUILBUIMXHSCJH-OWCLPIDISA-N 1 3 338.496 1.001 20 0 EDADHO C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530641771 447932563 /nfs/dbraw/zinc/93/25/63/447932563.db2.gz IWFHWUNVTCTEHQ-INIZCTEOSA-N 1 3 347.503 1.894 20 0 EDADHO CCc1nc(CCNC(=O)N(CCN(C)C)CC[NH+](C)C)cs1 ZINC000524627975 447937613 /nfs/dbraw/zinc/93/76/13/447937613.db2.gz LPPKYQZZABOBGK-UHFFFAOYSA-N 1 3 341.525 1.383 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000525306323 447993176 /nfs/dbraw/zinc/99/31/76/447993176.db2.gz JZLKNVBOVKDSFE-BZUAXINKSA-N 1 3 340.512 1.325 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1ccnn1C ZINC000491433049 448027438 /nfs/dbraw/zinc/02/74/38/448027438.db2.gz CIIVBFKVMPSDKO-JJEJIETFSA-N 1 3 333.480 1.308 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1ccnn1C ZINC000491433049 448027441 /nfs/dbraw/zinc/02/74/41/448027441.db2.gz CIIVBFKVMPSDKO-JJEJIETFSA-N 1 3 333.480 1.308 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804202 448027739 /nfs/dbraw/zinc/02/77/39/448027739.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804202 448027745 /nfs/dbraw/zinc/02/77/45/448027745.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804199 448028894 /nfs/dbraw/zinc/02/88/94/448028894.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804199 448028899 /nfs/dbraw/zinc/02/88/99/448028899.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 1 3 330.476 1.752 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531292563 448054438 /nfs/dbraw/zinc/05/44/38/448054438.db2.gz UFPTYBXXAOLABG-LPHOPBHVSA-N 1 3 333.476 1.470 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531292563 448054444 /nfs/dbraw/zinc/05/44/44/448054444.db2.gz UFPTYBXXAOLABG-LPHOPBHVSA-N 1 3 333.476 1.470 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940956 448055930 /nfs/dbraw/zinc/05/59/30/448055930.db2.gz FMNJXEASNATYHN-GDBMZVCRSA-N 1 3 341.496 1.821 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000496940956 448055937 /nfs/dbraw/zinc/05/59/37/448055937.db2.gz FMNJXEASNATYHN-GDBMZVCRSA-N 1 3 341.496 1.821 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000576592727 448093799 /nfs/dbraw/zinc/09/37/99/448093799.db2.gz WUBWWZHVFYKGHC-GOSISDBHSA-N 1 3 330.476 1.905 20 0 EDADHO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(OCCN(C)C)cc1 ZINC000531704015 448130355 /nfs/dbraw/zinc/13/03/55/448130355.db2.gz QIRXAQLMTZFCOB-IRXDYDNUSA-N 1 3 335.492 1.998 20 0 EDADHO CC(C)N1CCC([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000531709226 448130834 /nfs/dbraw/zinc/13/08/34/448130834.db2.gz HDJAEERQIWIKDL-LJQANCHMSA-N 1 3 344.459 1.704 20 0 EDADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000532230841 448218369 /nfs/dbraw/zinc/21/83/69/448218369.db2.gz IMTBNLAHINXRDJ-WMZOPIPTSA-N 1 3 332.492 1.338 20 0 EDADHO CCN(C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000515497294 448322812 /nfs/dbraw/zinc/32/28/12/448322812.db2.gz WEAJYZLZJLWFRO-QZTJIDSGSA-N 1 3 336.476 1.419 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392036 448286073 /nfs/dbraw/zinc/28/60/73/448286073.db2.gz IBXXIUSTMOJFLB-WMZOPIPTSA-N 1 3 346.475 1.365 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603429 448338380 /nfs/dbraw/zinc/33/83/80/448338380.db2.gz CLTULZXYAHRZSW-MOPGFXCFSA-N 1 3 348.487 1.655 20 0 EDADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603429 448338383 /nfs/dbraw/zinc/33/83/83/448338383.db2.gz CLTULZXYAHRZSW-MOPGFXCFSA-N 1 3 348.487 1.655 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791490 448341949 /nfs/dbraw/zinc/34/19/49/448341949.db2.gz YZYIRCOSWVFYTG-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000591459412 448372166 /nfs/dbraw/zinc/37/21/66/448372166.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000591459412 448372170 /nfs/dbraw/zinc/37/21/70/448372170.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 1 3 333.476 1.764 20 0 EDADHO Cc1c(C(=O)N(C)[C@H](C)C2CCN(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000566193914 448411382 /nfs/dbraw/zinc/41/13/82/448411382.db2.gz OYUKYUSMTUOBDS-CYBMUJFWSA-N 1 3 348.495 1.313 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000516070445 448375807 /nfs/dbraw/zinc/37/58/07/448375807.db2.gz FBHKALKYTHIGAC-AHCXZYCDSA-N 1 3 330.476 1.796 20 0 EDADHO c1cc2c(cc1CN1CCN(CCC3CC[NH2+]CC3)CC1)OCCO2 ZINC000572606382 448420813 /nfs/dbraw/zinc/42/08/13/448420813.db2.gz PSIJAWUYSGFTOC-UHFFFAOYSA-N 1 3 345.487 1.965 20 0 EDADHO N[C@H]1CCC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963552 448428012 /nfs/dbraw/zinc/42/80/12/448428012.db2.gz DWPRPYMQEISLNY-QWHCGFSZSA-N 1 3 345.896 1.868 20 0 EDADHO C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000578122739 448465781 /nfs/dbraw/zinc/46/57/81/448465781.db2.gz JSZGETMOILDYBJ-HKUYNNGSSA-N 1 3 348.491 1.113 20 0 EDADHO O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349707 448525344 /nfs/dbraw/zinc/52/53/44/448525344.db2.gz NDAVPLPFORQABU-KXBFYZLASA-N 1 3 342.443 1.183 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278508 448586711 /nfs/dbraw/zinc/58/67/11/448586711.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278508 448586713 /nfs/dbraw/zinc/58/67/13/448586713.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000517556735 448591445 /nfs/dbraw/zinc/59/14/45/448591445.db2.gz SYBKBKTWMWRKOV-SFHVURJKSA-N 1 3 332.492 1.614 20 0 EDADHO Cc1cc(N2CCN(C)CC2)ccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000517556735 448591451 /nfs/dbraw/zinc/59/14/51/448591451.db2.gz SYBKBKTWMWRKOV-SFHVURJKSA-N 1 3 332.492 1.614 20 0 EDADHO CC[NH+]1CCC(N2CCCN(CCNC(=O)NC(C)C)CC2)CC1 ZINC000573320685 448598291 /nfs/dbraw/zinc/59/82/91/448598291.db2.gz FQUVAFCQGIMRRR-UHFFFAOYSA-N 1 3 339.528 1.186 20 0 EDADHO CN(C)C[C@@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573336314 448602444 /nfs/dbraw/zinc/60/24/44/448602444.db2.gz LWTCYQOKJIAEAN-HOTGVXAUSA-N 1 3 325.522 1.757 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)C1(n2cccn2)CC[NH2+]CC1 ZINC000573803878 448717678 /nfs/dbraw/zinc/71/76/78/448717678.db2.gz FLVNEUDHHMQGHZ-UHFFFAOYSA-N 1 3 341.415 1.083 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H](O)COC(C)C)cc2)CC1 ZINC000567677486 448733432 /nfs/dbraw/zinc/73/34/32/448733432.db2.gz YPRPEFQEMITWKQ-HXUWFJFHSA-N 1 3 349.519 1.700 20 0 EDADHO Cc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c(CN(C)C)c1 ZINC000579469190 448801323 /nfs/dbraw/zinc/80/13/23/448801323.db2.gz SRMXTBDBTWTGIX-HNNXBMFYSA-N 1 3 342.447 1.652 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000519705841 448824889 /nfs/dbraw/zinc/82/48/89/448824889.db2.gz MMWLRBGDIMXEMH-HRCADAONSA-N 1 3 339.480 1.251 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000579664892 448844204 /nfs/dbraw/zinc/84/42/04/448844204.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 1 3 333.476 1.468 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000579664892 448844207 /nfs/dbraw/zinc/84/42/07/448844207.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 1 3 333.476 1.468 20 0 EDADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C(C)(C)O ZINC000574415216 448870648 /nfs/dbraw/zinc/87/06/48/448870648.db2.gz VSITYEBZBFRVNQ-QGZVFWFLSA-N 1 3 339.524 1.848 20 0 EDADHO CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568738780 448913559 /nfs/dbraw/zinc/91/35/59/448913559.db2.gz TUBZFEVRTBEANP-ROUUACIJSA-N 1 3 346.475 1.281 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CN1C1CC1 ZINC000568856246 448927310 /nfs/dbraw/zinc/92/73/10/448927310.db2.gz PDVAOSMKFUVGEE-ILXRZTDVSA-N 1 3 336.480 1.009 20 0 EDADHO C[C@H]1C[C@H](NCC(=O)N2CCNCC2)CC[N@@H+]1Cc1ccccc1 ZINC000521225627 448965445 /nfs/dbraw/zinc/96/54/45/448965445.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 1 3 330.476 1.061 20 0 EDADHO C[C@H]1C[C@H](NCC(=O)N2CCNCC2)CC[N@H+]1Cc1ccccc1 ZINC000521225627 448965450 /nfs/dbraw/zinc/96/54/50/448965450.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 1 3 330.476 1.061 20 0 EDADHO C[C@H]1C[C@H]([NH2+]CC(=O)N2CCNCC2)CCN1Cc1ccccc1 ZINC000521225627 448965453 /nfs/dbraw/zinc/96/54/53/448965453.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 1 3 330.476 1.061 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cncnc3)CC2)CC1 ZINC000529931585 449007875 /nfs/dbraw/zinc/00/78/75/449007875.db2.gz JHCKEDHSJJMISL-UHFFFAOYSA-N 1 3 345.491 1.332 20 0 EDADHO CCSc1nccnc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597943054 449152497 /nfs/dbraw/zinc/15/24/97/449152497.db2.gz SYKQIGQMQJDOON-ZDUSSCGKSA-N 1 3 339.509 1.590 20 0 EDADHO CCSc1nccnc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597943054 449152501 /nfs/dbraw/zinc/15/25/01/449152501.db2.gz SYKQIGQMQJDOON-ZDUSSCGKSA-N 1 3 339.509 1.590 20 0 EDADHO C[C@H](CN1CCC(C)CC1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000595974104 449292748 /nfs/dbraw/zinc/29/27/48/449292748.db2.gz WPBFOTNVWRAOPK-CABCVRRESA-N 1 3 333.480 1.569 20 0 EDADHO CN1CCC[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000590859561 449322896 /nfs/dbraw/zinc/32/28/96/449322896.db2.gz KHJHIRADQRSPQC-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](N)CCC(=O)OC)CC1 ZINC000602586753 449688750 /nfs/dbraw/zinc/68/87/50/449688750.db2.gz UNYAEEANPCCKSZ-AWEZNQCLSA-N 1 3 325.453 1.134 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(CCO)CC1 ZINC000601248861 449772699 /nfs/dbraw/zinc/77/26/99/449772699.db2.gz WBTREKWNHWAMBT-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(CCO)CC1 ZINC000601248861 449772705 /nfs/dbraw/zinc/77/27/05/449772705.db2.gz WBTREKWNHWAMBT-MRXNPFEDSA-N 1 3 340.512 1.397 20 0 EDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000594924565 449808990 /nfs/dbraw/zinc/80/89/90/449808990.db2.gz JJECSRYPEQHSMJ-KBAYOESNSA-N 1 3 346.475 1.381 20 0 EDADHO COCCN1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601281774 449795261 /nfs/dbraw/zinc/79/52/61/449795261.db2.gz GGVDJURMADYDNR-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597076965 449800207 /nfs/dbraw/zinc/80/02/07/449800207.db2.gz XGSWITDAQLPXIL-UHFFFAOYSA-N 1 3 337.439 1.730 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000608648277 449895997 /nfs/dbraw/zinc/89/59/97/449895997.db2.gz QVJBSIPLAMMXAS-QGZVFWFLSA-N 1 3 330.476 1.479 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000608704939 449915141 /nfs/dbraw/zinc/91/51/41/449915141.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 1 3 342.528 1.717 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000608704939 449915145 /nfs/dbraw/zinc/91/51/45/449915145.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 1 3 342.528 1.717 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985667 449971399 /nfs/dbraw/zinc/97/13/99/449971399.db2.gz MFJSPFZWAIGTJQ-HOCLYGCPSA-N 1 3 336.480 1.023 20 0 EDADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000615617235 450168845 /nfs/dbraw/zinc/16/88/45/450168845.db2.gz VQGGANTXBDCAGO-IBGZPJMESA-N 1 3 349.519 1.966 20 0 EDADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1(N3CCOCC3)CCCC1)C2 ZINC000615617235 450168848 /nfs/dbraw/zinc/16/88/48/450168848.db2.gz VQGGANTXBDCAGO-IBGZPJMESA-N 1 3 349.519 1.966 20 0 EDADHO CCN(CCO)CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581241 450234781 /nfs/dbraw/zinc/23/47/81/450234781.db2.gz ASBICEIXDDOANE-GOSISDBHSA-N 1 3 333.476 1.296 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCN1 ZINC000621153671 450601886 /nfs/dbraw/zinc/60/18/86/450601886.db2.gz XFEXWDQOYPJPDD-HKUYNNGSSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCN1 ZINC000621153671 450601891 /nfs/dbraw/zinc/60/18/91/450601891.db2.gz XFEXWDQOYPJPDD-HKUYNNGSSA-N 1 3 331.460 1.080 20 0 EDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629532030 450726209 /nfs/dbraw/zinc/72/62/09/450726209.db2.gz JBAWNHIZRXWLKL-OCCSQVGLSA-N 1 3 343.830 1.928 20 0 EDADHO O[C@@H](CNc1cccc(CN2CCC(O)CC2)c1)C[NH+]1CCCC1 ZINC000629582889 450748730 /nfs/dbraw/zinc/74/87/30/450748730.db2.gz YNZJJYPRMMELPW-IBGZPJMESA-N 1 3 333.476 1.512 20 0 EDADHO CNS(=O)(=O)C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000629595003 450755354 /nfs/dbraw/zinc/75/53/54/450755354.db2.gz HZACPZHTBWIVPU-OAHLLOKOSA-N 1 3 337.489 1.094 20 0 EDADHO [NH3+]CCC[C@@H](NS(=O)(=O)CCCN1CCCC1)c1ccccc1 ZINC000631942725 450900329 /nfs/dbraw/zinc/90/03/29/450900329.db2.gz FWNCKQKKDSOCLL-QGZVFWFLSA-N 1 3 339.505 1.872 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000631943077 450900344 /nfs/dbraw/zinc/90/03/44/450900344.db2.gz MMLYSKJBHIVXBF-CVEARBPZSA-N 1 3 329.510 1.266 20 0 EDADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965011 450923536 /nfs/dbraw/zinc/92/35/36/450923536.db2.gz QTQOVQDEKBVGAY-IRXDYDNUSA-N 1 3 345.553 1.854 20 0 EDADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965011 450923540 /nfs/dbraw/zinc/92/35/40/450923540.db2.gz QTQOVQDEKBVGAY-IRXDYDNUSA-N 1 3 345.553 1.854 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000626931142 451013529 /nfs/dbraw/zinc/01/35/29/451013529.db2.gz UCNTUOQGRWUSIC-UHFFFAOYSA-N 1 3 348.491 1.310 20 0 EDADHO CC[C@H](CNC(=O)NCCOCCC[NH3+])N1CCc2ccccc2C1 ZINC000626934752 451017438 /nfs/dbraw/zinc/01/74/38/451017438.db2.gz MZIVESGUHSFIQG-GOSISDBHSA-N 1 3 348.491 1.488 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)CN1Cc1ccccc1 ZINC000626999073 451064486 /nfs/dbraw/zinc/06/44/86/451064486.db2.gz WFGMJIILLDHFNS-WBVHZDCISA-N 1 3 346.475 1.457 20 0 EDADHO CCO[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000624937514 451070987 /nfs/dbraw/zinc/07/09/87/451070987.db2.gz YEUJNDMHVUISBM-KRWDZBQOSA-N 1 3 325.497 1.722 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629837 451118990 /nfs/dbraw/zinc/11/89/90/451118990.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 1 3 331.460 1.081 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000635629837 451118997 /nfs/dbraw/zinc/11/89/97/451118997.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 1 3 331.460 1.081 20 0 EDADHO C[NH+](C)CCn1c2cc(C(=O)N3CCNC(C)(C)C3)ccc2[nH]c1=O ZINC000635646234 451133570 /nfs/dbraw/zinc/13/35/70/451133570.db2.gz VBRINZCNPGESFD-UHFFFAOYSA-N 1 3 345.447 1.128 20 0 EDADHO CC[NH2+][C@H](C)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000638098702 451263973 /nfs/dbraw/zinc/26/39/73/451263973.db2.gz DJENTDAZZIVPNX-QGZVFWFLSA-N 1 3 332.492 1.261 20 0 EDADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843484 451292352 /nfs/dbraw/zinc/29/23/52/451292352.db2.gz ULKQUDCARBGPPA-HXUWFJFHSA-N 1 3 345.487 1.424 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CN1Cc1ccccc1 ZINC000638129261 451300387 /nfs/dbraw/zinc/30/03/87/451300387.db2.gz XZUAVLTZCLBDEK-SZVBFZGTSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638176810 451338282 /nfs/dbraw/zinc/33/82/82/451338282.db2.gz FYQMDOGIMGFAEO-IUODEOHRSA-N 1 3 345.447 1.031 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCC1C[NH2+]C1 ZINC000638274745 451392993 /nfs/dbraw/zinc/39/29/93/451392993.db2.gz GRPPKCJRCIWIHL-UHFFFAOYSA-N 1 3 325.403 1.855 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638285403 451402810 /nfs/dbraw/zinc/40/28/10/451402810.db2.gz KLOSXQXXOUZQBR-ROUUACIJSA-N 1 3 332.492 1.388 20 0 EDADHO COC[C@@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCCN1 ZINC000638297384 451411791 /nfs/dbraw/zinc/41/17/91/451411791.db2.gz DGOQWCHQPBNYIG-GOSISDBHSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)CN2CCNCC2)C[N@@H+]1Cc1ccccc1 ZINC000638310261 451424055 /nfs/dbraw/zinc/42/40/55/451424055.db2.gz QCNCZEZCCJADJZ-MJGOQNOKSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)CN2CCNCC2)C[N@H+]1Cc1ccccc1 ZINC000638310261 451424063 /nfs/dbraw/zinc/42/40/63/451424063.db2.gz QCNCZEZCCJADJZ-MJGOQNOKSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@](O)(C[C@H](O)CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711237 451490979 /nfs/dbraw/zinc/49/09/79/451490979.db2.gz LRLFHDGWTBHDQV-AABGKKOBSA-N 1 3 348.487 1.255 20 0 EDADHO C[C@](O)(C[C@H](O)CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711237 451490983 /nfs/dbraw/zinc/49/09/83/451490983.db2.gz LRLFHDGWTBHDQV-AABGKKOBSA-N 1 3 348.487 1.255 20 0 EDADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000638338102 451441446 /nfs/dbraw/zinc/44/14/46/451441446.db2.gz RABVWUPHMIGAKO-GUDVDZBRSA-N 1 3 345.487 1.639 20 0 EDADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000638338102 451441448 /nfs/dbraw/zinc/44/14/48/451441448.db2.gz RABVWUPHMIGAKO-GUDVDZBRSA-N 1 3 345.487 1.639 20 0 EDADHO CC1(C)C[NH2+]CC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000634761408 451532100 /nfs/dbraw/zinc/53/21/00/451532100.db2.gz ASEDJPGRFSWZRT-INIZCTEOSA-N 1 3 337.508 1.916 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2c1NC(=O)CO2 ZINC000636161776 451556238 /nfs/dbraw/zinc/55/62/38/451556238.db2.gz PPNZTZOTRIXVLJ-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2c1NC(=O)CO2 ZINC000636161776 451556242 /nfs/dbraw/zinc/55/62/42/451556242.db2.gz PPNZTZOTRIXVLJ-ZDUSSCGKSA-N 1 3 348.447 1.019 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638546199 451571023 /nfs/dbraw/zinc/57/10/23/451571023.db2.gz CITSPSRFCSEGDE-MCIONIFRSA-N 1 3 329.366 1.542 20 0 EDADHO FC(F)(F)CN1CCC(Nc2cc(N3CCNCC3)cc[nH+]2)CC1 ZINC000635008808 451648382 /nfs/dbraw/zinc/64/83/82/451648382.db2.gz KTANYFPLLQLHLJ-UHFFFAOYSA-N 1 3 343.397 1.930 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)n2)CC1 ZINC000632940600 451661612 /nfs/dbraw/zinc/66/16/12/451661612.db2.gz PHDGPYNZYMSEFG-OKILXGFUSA-N 1 3 334.468 1.789 20 0 EDADHO COC1CCN(CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000638978354 451744885 /nfs/dbraw/zinc/74/48/85/451744885.db2.gz ZPPOFIWHFCBDPR-CQSZACIVSA-N 1 3 334.464 1.616 20 0 EDADHO [NH3+]CCCCc1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228765 451790817 /nfs/dbraw/zinc/79/08/17/451790817.db2.gz DAOWWFAEIZANJN-GOSISDBHSA-N 1 3 329.448 1.197 20 0 EDADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)[C@H]1n1cccn1 ZINC000639212129 451792845 /nfs/dbraw/zinc/79/28/45/451792845.db2.gz BJHLJJFQGKNZJY-BRWVUGGUSA-N 1 3 336.480 1.427 20 0 EDADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639553537 451941306 /nfs/dbraw/zinc/94/13/06/451941306.db2.gz GQGGFQSSVAZPEB-KRWDZBQOSA-N 1 3 332.496 1.256 20 0 EDADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CNCCC2(F)F)cc1 ZINC000649288747 451963962 /nfs/dbraw/zinc/96/39/62/451963962.db2.gz FCKMFBXTXPDAMN-OAHLLOKOSA-N 1 3 341.402 1.488 20 0 EDADHO CC(C)([NH3+])CCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000649295906 451971940 /nfs/dbraw/zinc/97/19/40/451971940.db2.gz FSGFTSGOYCIXHG-UHFFFAOYSA-N 1 3 346.475 1.840 20 0 EDADHO CC1(OCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CNC1 ZINC000649310565 451987656 /nfs/dbraw/zinc/98/76/56/451987656.db2.gz URRNKPNGYDIDLF-QGZVFWFLSA-N 1 3 331.460 1.046 20 0 EDADHO CC1(OCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CNC1 ZINC000649310565 451987664 /nfs/dbraw/zinc/98/76/64/451987664.db2.gz URRNKPNGYDIDLF-QGZVFWFLSA-N 1 3 331.460 1.046 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1Cc1ccccc1 ZINC000649329685 452010462 /nfs/dbraw/zinc/01/04/62/452010462.db2.gz BRUDYMXBLSBOLW-GPFWEFOESA-N 1 3 327.472 1.963 20 0 EDADHO COC[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000649335479 452016320 /nfs/dbraw/zinc/01/63/20/452016320.db2.gz FIBNWAIDXAKQHS-IEBWSBKVSA-N 1 3 331.460 1.536 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686959 452022565 /nfs/dbraw/zinc/02/25/65/452022565.db2.gz QRETUBUVZDXXIR-IBGZPJMESA-N 1 3 348.535 1.632 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686959 452022572 /nfs/dbraw/zinc/02/25/72/452022572.db2.gz QRETUBUVZDXXIR-IBGZPJMESA-N 1 3 348.535 1.632 20 0 EDADHO CCN1CCN(CCC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363800 452043316 /nfs/dbraw/zinc/04/33/16/452043316.db2.gz ODXZUBQYRRJUOS-MSOLQXFVSA-N 1 3 336.524 1.252 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CNCCOC2)CC1 ZINC000649378550 452052818 /nfs/dbraw/zinc/05/28/18/452052818.db2.gz IVDZSPTXAQEDSU-AEFFLSMTSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CNCCOC2)CC1 ZINC000649378550 452052824 /nfs/dbraw/zinc/05/28/24/452052824.db2.gz IVDZSPTXAQEDSU-AEFFLSMTSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cc(N2CCN(CCCC3CC[NH2+]CC3)CC2)n2ncnc2n1 ZINC000649412035 452075405 /nfs/dbraw/zinc/07/54/05/452075405.db2.gz FENVXTYVYVITRG-UHFFFAOYSA-N 1 3 343.479 1.335 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@](O)(CN(C)C)C2)c1 ZINC000639763934 452104789 /nfs/dbraw/zinc/10/47/89/452104789.db2.gz DXRAKZGGAQSENW-MJGOQNOKSA-N 1 3 336.476 1.432 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(CN(C)C)C2)c1 ZINC000639763934 452104795 /nfs/dbraw/zinc/10/47/95/452104795.db2.gz DXRAKZGGAQSENW-MJGOQNOKSA-N 1 3 336.476 1.432 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643294350 452120258 /nfs/dbraw/zinc/12/02/58/452120258.db2.gz OUOCGOKLROZWEI-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643294350 452120265 /nfs/dbraw/zinc/12/02/65/452120265.db2.gz OUOCGOKLROZWEI-OAHLLOKOSA-N 1 3 328.501 1.517 20 0 EDADHO CC(C)N(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](O)CO ZINC000643296424 452121783 /nfs/dbraw/zinc/12/17/83/452121783.db2.gz VOYZLZXBGASGMV-GOSISDBHSA-N 1 3 336.476 1.725 20 0 EDADHO C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cn1 ZINC000654013267 452203982 /nfs/dbraw/zinc/20/39/82/452203982.db2.gz YRHBLBFENLCOHE-CVEARBPZSA-N 1 3 334.468 1.583 20 0 EDADHO O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCN(c2ccncc2)CC1 ZINC000645222315 452219198 /nfs/dbraw/zinc/21/91/98/452219198.db2.gz XBPHWYKRSFNWHC-KRWDZBQOSA-N 1 3 340.431 1.165 20 0 EDADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000647492604 452235544 /nfs/dbraw/zinc/23/55/44/452235544.db2.gz MPVOGACLJOFYGF-UHFFFAOYSA-N 1 3 334.855 1.258 20 0 EDADHO COc1ccccc1CC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000647550784 452276411 /nfs/dbraw/zinc/27/64/11/452276411.db2.gz GPUSKJYZKXJXGN-QAPCUYQASA-N 1 3 345.487 1.816 20 0 EDADHO N[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[C@H]1F ZINC000659433452 452279372 /nfs/dbraw/zinc/27/93/72/452279372.db2.gz JAQUZGCDKFNWSK-IAGOWNOFSA-N 1 3 334.439 1.863 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638049161 452318493 /nfs/dbraw/zinc/31/84/93/452318493.db2.gz IYLMZIQDUHVMJF-QGZVFWFLSA-N 1 3 332.492 1.436 20 0 EDADHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(F)(F)F ZINC000655513886 452323068 /nfs/dbraw/zinc/32/30/68/452323068.db2.gz HMMUCWYRHQSJOL-QWHCGFSZSA-N 1 3 330.354 1.299 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CN1C1CC1 ZINC000645354257 452332845 /nfs/dbraw/zinc/33/28/45/452332845.db2.gz QUVGYUOYMRMDKB-CABCVRRESA-N 1 3 336.480 1.118 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000665760645 452333615 /nfs/dbraw/zinc/33/36/15/452333615.db2.gz MEUWBMQOSOYENG-LSDHHAIUSA-N 1 3 328.501 1.467 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC(C)(C)[C@H]1C ZINC000665760645 452333623 /nfs/dbraw/zinc/33/36/23/452333623.db2.gz MEUWBMQOSOYENG-LSDHHAIUSA-N 1 3 328.501 1.467 20 0 EDADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C(C)(C)O ZINC000665761865 452334424 /nfs/dbraw/zinc/33/44/24/452334424.db2.gz RUDUSXMWWVPRNU-GJZGRUSLSA-N 1 3 330.517 1.353 20 0 EDADHO CC(C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C(C)(C)O ZINC000665761865 452334434 /nfs/dbraw/zinc/33/44/34/452334434.db2.gz RUDUSXMWWVPRNU-GJZGRUSLSA-N 1 3 330.517 1.353 20 0 EDADHO CCC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665761349 452334857 /nfs/dbraw/zinc/33/48/57/452334857.db2.gz AEVPYOCZGWEUBM-WMZOPIPTSA-N 1 3 342.528 1.595 20 0 EDADHO CCC[C@@]1(CO)CCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665761349 452334867 /nfs/dbraw/zinc/33/48/67/452334867.db2.gz AEVPYOCZGWEUBM-WMZOPIPTSA-N 1 3 342.528 1.595 20 0 EDADHO CCN(CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144690 452337457 /nfs/dbraw/zinc/33/74/57/452337457.db2.gz OONVPBPTHKJWLY-YQQAZPJKSA-N 1 3 338.496 1.399 20 0 EDADHO CC[C@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665764267 452346970 /nfs/dbraw/zinc/34/69/70/452346970.db2.gz ZSZZKRLYKVYVHK-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CC[C@H]1[C@H](CO)CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665764267 452346977 /nfs/dbraw/zinc/34/69/77/452346977.db2.gz ZSZZKRLYKVYVHK-JYJNAYRXSA-N 1 3 328.501 1.061 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](CC)CO1 ZINC000665763973 452349780 /nfs/dbraw/zinc/34/97/80/452349780.db2.gz QLIPEZHBWSAALJ-ULQDDVLXSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](CC)CO1 ZINC000665763973 452349785 /nfs/dbraw/zinc/34/97/85/452349785.db2.gz QLIPEZHBWSAALJ-ULQDDVLXSA-N 1 3 342.528 1.857 20 0 EDADHO CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000665763749 452350080 /nfs/dbraw/zinc/35/00/80/452350080.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 1 3 341.544 1.384 20 0 EDADHO C[NH+](C)CCOC1CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000638063067 452360007 /nfs/dbraw/zinc/36/00/07/452360007.db2.gz YLQRPQZUEXMFRG-UHFFFAOYSA-N 1 3 329.391 1.786 20 0 EDADHO [NH3+][C@@H](CNC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659519760 452382746 /nfs/dbraw/zinc/38/27/46/452382746.db2.gz LBEATDBELBRHBY-IRXDYDNUSA-N 1 3 332.448 1.239 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](N)CN(C)Cc2ccccc2)CC1 ZINC000638074456 452387584 /nfs/dbraw/zinc/38/75/84/452387584.db2.gz BCGDMYOHQFJNOC-LJQANCHMSA-N 1 3 346.519 1.779 20 0 EDADHO [NH3+]C[C@H]1CCCCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659564492 452419295 /nfs/dbraw/zinc/41/92/95/452419295.db2.gz AVTHHIFVQDDOGW-GOSISDBHSA-N 1 3 345.491 1.816 20 0 EDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589516 452446431 /nfs/dbraw/zinc/44/64/31/452446431.db2.gz RIEAPPDJECGHHJ-NSNWQYSKSA-N 1 3 334.439 1.663 20 0 EDADHO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345524 452520558 /nfs/dbraw/zinc/52/05/58/452520558.db2.gz DFWJENRLFSVJKR-RZFLPCETSA-N 1 3 337.508 1.709 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730892 452543842 /nfs/dbraw/zinc/54/38/42/452543842.db2.gz VOMVVWKSRAXIEJ-ZIFCJYIRSA-N 1 3 339.524 1.719 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)Cn3cncn3)cc2)CC1 ZINC000657839607 452559273 /nfs/dbraw/zinc/55/92/73/452559273.db2.gz XANDVCNISOUXOH-QGZVFWFLSA-N 1 3 342.491 1.594 20 0 EDADHO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000657872826 452582215 /nfs/dbraw/zinc/58/22/15/452582215.db2.gz INIQZQMSSCRAEU-OAHLLOKOSA-N 1 3 329.448 1.413 20 0 EDADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657891920 452596492 /nfs/dbraw/zinc/59/64/92/452596492.db2.gz QCPVVIMTCOVOKZ-IEBWSBKVSA-N 1 3 340.508 1.909 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546197 452627946 /nfs/dbraw/zinc/62/79/46/452627946.db2.gz NIFVSINUYZWDAM-OAGGEKHMSA-N 1 3 326.485 1.127 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000659751064 452648912 /nfs/dbraw/zinc/64/89/12/452648912.db2.gz JPPZTLRYICOBHI-CQSZACIVSA-N 1 3 340.512 1.070 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000655909572 452666529 /nfs/dbraw/zinc/66/65/29/452666529.db2.gz BEFJWKJLVIRANT-AWEZNQCLSA-N 1 3 344.381 1.840 20 0 EDADHO NC[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(F)(F)F ZINC000655911803 452667429 /nfs/dbraw/zinc/66/74/29/452667429.db2.gz GSFHQDHESPHXIQ-AWEZNQCLSA-N 1 3 344.381 1.971 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978558 452724287 /nfs/dbraw/zinc/72/42/87/452724287.db2.gz UWCGNRXLHQZQFM-HZPDHXFCSA-N 1 3 348.491 1.563 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654735958 452864347 /nfs/dbraw/zinc/86/43/47/452864347.db2.gz XJJREYKSGKCGPJ-SFHVURJKSA-N 1 3 333.476 1.545 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654735958 452864358 /nfs/dbraw/zinc/86/43/58/452864358.db2.gz XJJREYKSGKCGPJ-SFHVURJKSA-N 1 3 333.476 1.545 20 0 EDADHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)nc(-c2ccncc2)n1 ZINC000664196738 452870400 /nfs/dbraw/zinc/87/04/00/452870400.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 1 3 342.491 1.953 20 0 EDADHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)nc(-c2ccncc2)n1 ZINC000664196738 452870407 /nfs/dbraw/zinc/87/04/07/452870407.db2.gz NIYASTJLANLJLE-INIZCTEOSA-N 1 3 342.491 1.953 20 0 EDADHO CCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCN(C)C1 ZINC000664210132 452883447 /nfs/dbraw/zinc/88/34/47/452883447.db2.gz IDAJIOXQZHFKMB-SFHVURJKSA-N 1 3 344.503 1.821 20 0 EDADHO CCc1onc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666461065 452887663 /nfs/dbraw/zinc/88/76/63/452887663.db2.gz UGBQTMWKMPIXHS-LBPRGKRZSA-N 1 3 325.457 1.939 20 0 EDADHO CCc1onc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666461065 452887670 /nfs/dbraw/zinc/88/76/70/452887670.db2.gz UGBQTMWKMPIXHS-LBPRGKRZSA-N 1 3 325.457 1.939 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CCc2ccc(F)cc21 ZINC000650724744 452952560 /nfs/dbraw/zinc/95/25/60/452952560.db2.gz LOTUKYXHXYAANA-HUUCEWRRSA-N 1 3 333.451 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CCc2ccc(F)cc21 ZINC000650724744 452952564 /nfs/dbraw/zinc/95/25/64/452952564.db2.gz LOTUKYXHXYAANA-HUUCEWRRSA-N 1 3 333.451 1.985 20 0 EDADHO CN(CCN1CCN(c2ccccc2)CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662266104 452997026 /nfs/dbraw/zinc/99/70/26/452997026.db2.gz XMEZNXQLRZAFPQ-LJQANCHMSA-N 1 3 344.503 1.261 20 0 EDADHO c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000662338959 453056972 /nfs/dbraw/zinc/05/69/72/453056972.db2.gz XQRIDKBMMWYSKE-INIZCTEOSA-N 1 3 326.448 1.594 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664587304 453220872 /nfs/dbraw/zinc/22/08/72/453220872.db2.gz KBBSAPUVZDKKRS-CAOSSQGBSA-N 1 3 342.528 1.617 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664587304 453220877 /nfs/dbraw/zinc/22/08/77/453220877.db2.gz KBBSAPUVZDKKRS-CAOSSQGBSA-N 1 3 342.528 1.617 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664587306 453221386 /nfs/dbraw/zinc/22/13/86/453221386.db2.gz KBBSAPUVZDKKRS-YHUYYLMFSA-N 1 3 342.528 1.617 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664587306 453221391 /nfs/dbraw/zinc/22/13/91/453221391.db2.gz KBBSAPUVZDKKRS-YHUYYLMFSA-N 1 3 342.528 1.617 20 0 EDADHO C[C@@H](CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)[NH+](C)C ZINC000664626846 453262075 /nfs/dbraw/zinc/26/20/75/453262075.db2.gz UMPNIELBCFWMRQ-YJBOKZPZSA-N 1 3 348.491 1.393 20 0 EDADHO COCCOc1cc2c(cc1CN[C@@H]1CC13CC[NH2+]CC3)OCO2 ZINC000666952277 453276214 /nfs/dbraw/zinc/27/62/14/453276214.db2.gz NSVXFBHHKSSIBY-QGZVFWFLSA-N 1 3 334.416 1.672 20 0 EDADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576427 453303720 /nfs/dbraw/zinc/30/37/20/453303720.db2.gz XMIJSUFAXWRYLF-WBVHZDCISA-N 1 3 340.431 1.135 20 0 EDADHO C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1Cc1ccccc1 ZINC000653122340 453312729 /nfs/dbraw/zinc/31/27/29/453312729.db2.gz UFWUDDOHOLGGGD-XPYUAMARSA-N 1 3 329.444 1.002 20 0 EDADHO CC(C)C1CCC(N2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)CC1 ZINC000653123324 453315370 /nfs/dbraw/zinc/31/53/70/453315370.db2.gz VGYYFIBXTBIMIL-DAWZGUTISA-N 1 3 338.540 1.624 20 0 EDADHO CCn1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000651207847 453361816 /nfs/dbraw/zinc/36/18/16/453361816.db2.gz ZVGVEYMKSNKOTR-UHFFFAOYSA-N 1 3 333.480 1.120 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCO1 ZINC000664757000 453381590 /nfs/dbraw/zinc/38/15/90/453381590.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CCCO1 ZINC000664757000 453381601 /nfs/dbraw/zinc/38/16/01/453381601.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 1 3 340.512 1.659 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000651246758 453392201 /nfs/dbraw/zinc/39/22/01/453392201.db2.gz LFYASONBJOYEMW-KRWDZBQOSA-N 1 3 340.512 1.326 20 0 EDADHO CC(C)(CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000662679870 453399532 /nfs/dbraw/zinc/39/95/32/453399532.db2.gz QQYKJRZKMQVQMY-IAGOWNOFSA-N 1 3 331.460 1.303 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000662680658 453400411 /nfs/dbraw/zinc/40/04/11/453400411.db2.gz XVIFVULDQIJIJR-UHFFFAOYSA-N 1 3 328.460 1.392 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662687620 453409045 /nfs/dbraw/zinc/40/90/45/453409045.db2.gz HPLJMKRJXWCEDO-KFWWJZLASA-N 1 3 349.479 1.106 20 0 EDADHO O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000662718328 453441578 /nfs/dbraw/zinc/44/15/78/453441578.db2.gz YPGCFAZLYCLOML-KOHRHEQBSA-N 1 3 331.435 1.906 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000667156051 453443825 /nfs/dbraw/zinc/44/38/25/453443825.db2.gz LRZBHCASEVAWSK-CYBMUJFWSA-N 1 3 332.448 1.116 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000667156051 453443833 /nfs/dbraw/zinc/44/38/33/453443833.db2.gz LRZBHCASEVAWSK-CYBMUJFWSA-N 1 3 332.448 1.116 20 0 EDADHO N[C@@H](CC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261497 453444444 /nfs/dbraw/zinc/44/44/44/453444444.db2.gz SGOBYGDWLCCCKB-OWSLCNJRSA-N 1 3 331.460 1.964 20 0 EDADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000662733693 453458761 /nfs/dbraw/zinc/45/87/61/453458761.db2.gz VJYQYOLTYAMIFP-HUUCEWRRSA-N 1 3 341.521 1.218 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000664898063 453470155 /nfs/dbraw/zinc/47/01/55/453470155.db2.gz XXWQULHHBLFJNV-WMLDXEAASA-N 1 3 334.464 1.003 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664898063 453470160 /nfs/dbraw/zinc/47/01/60/453470160.db2.gz XXWQULHHBLFJNV-WMLDXEAASA-N 1 3 334.464 1.003 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000664898063 453470168 /nfs/dbraw/zinc/47/01/68/453470168.db2.gz XXWQULHHBLFJNV-WMLDXEAASA-N 1 3 334.464 1.003 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662756538 453494164 /nfs/dbraw/zinc/49/41/64/453494164.db2.gz IQKQRFNELBETBB-INIZCTEOSA-N 1 3 344.503 1.336 20 0 EDADHO [NH3+]C1(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000662759414 453498628 /nfs/dbraw/zinc/49/86/28/453498628.db2.gz VYZLDPHEULLGFP-UHFFFAOYSA-N 1 3 330.476 1.192 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646604523 453508684 /nfs/dbraw/zinc/50/86/84/453508684.db2.gz OZAZRCRGEGPWMB-IAGOWNOFSA-N 1 3 325.412 1.698 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445687 453531683 /nfs/dbraw/zinc/53/16/83/453531683.db2.gz ISKDTZBNNGDMGG-APWZRJJASA-N 1 3 331.460 1.633 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659034352 453590297 /nfs/dbraw/zinc/59/02/97/453590297.db2.gz LYAWKQCTTGGVJH-ROUUACIJSA-N 1 3 344.459 1.953 20 0 EDADHO O=C(Nc1ccc([C@@H]2CNCCO2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000659034352 453590303 /nfs/dbraw/zinc/59/03/03/453590303.db2.gz LYAWKQCTTGGVJH-ROUUACIJSA-N 1 3 344.459 1.953 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660837087 453598218 /nfs/dbraw/zinc/59/82/18/453598218.db2.gz IFROJTYPNGUFDL-DOTOQJQBSA-N 1 3 338.496 1.269 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000660837087 453598220 /nfs/dbraw/zinc/59/82/20/453598220.db2.gz IFROJTYPNGUFDL-DOTOQJQBSA-N 1 3 338.496 1.269 20 0 EDADHO CO[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCOC1 ZINC000665235266 453618629 /nfs/dbraw/zinc/61/86/29/453618629.db2.gz SVXFADPHJVAOCG-YCEFEEMOSA-N 1 3 332.444 1.883 20 0 EDADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1NCc2ccccc21 ZINC000659307084 453708791 /nfs/dbraw/zinc/70/87/91/453708791.db2.gz LCTDGTMYVVRRMC-DOTOQJQBSA-N 1 3 344.459 1.067 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000665637916 453777908 /nfs/dbraw/zinc/77/79/08/453777908.db2.gz SRMLAMXFLUUFFP-JCGIZDLHSA-N 1 3 348.491 1.216 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000665637916 453777912 /nfs/dbraw/zinc/77/79/12/453777912.db2.gz SRMLAMXFLUUFFP-JCGIZDLHSA-N 1 3 348.491 1.216 20 0 EDADHO CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499986 453810940 /nfs/dbraw/zinc/81/09/40/453810940.db2.gz HOKNDLFKNVIXKB-SJLPKXTDSA-N 1 3 330.476 1.394 20 0 EDADHO CN(c1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000663499986 453810942 /nfs/dbraw/zinc/81/09/42/453810942.db2.gz HOKNDLFKNVIXKB-SJLPKXTDSA-N 1 3 330.476 1.394 20 0 EDADHO C[NH+](C)CCOc1ccc(CNCC2(S(C)(=O)=O)CC2)cc1 ZINC000684419581 486775413 /nfs/dbraw/zinc/77/54/13/486775413.db2.gz OXYFXTDOGKKIAF-UHFFFAOYSA-N 1 3 326.462 1.294 20 0 EDADHO COC1CCN(CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000683725175 486801600 /nfs/dbraw/zinc/80/16/00/486801600.db2.gz SCYFUJRFTGQWNE-UHFFFAOYSA-N 1 3 338.496 1.271 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667732355 486938085 /nfs/dbraw/zinc/93/80/85/486938085.db2.gz IFIKBZKQMSMARO-UHFFFAOYSA-N 1 3 333.480 1.683 20 0 EDADHO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc3c(c2)CNCC3)CCCO1 ZINC000667804528 486974170 /nfs/dbraw/zinc/97/41/70/486974170.db2.gz BGNDCPIQGNEQRV-CQSZACIVSA-N 1 3 347.463 1.350 20 0 EDADHO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc3c(c2)CNCC3)CCCO1 ZINC000667804528 486974174 /nfs/dbraw/zinc/97/41/74/486974174.db2.gz BGNDCPIQGNEQRV-CQSZACIVSA-N 1 3 347.463 1.350 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCCN(C)C2)CC1 ZINC000684368789 487039556 /nfs/dbraw/zinc/03/95/56/487039556.db2.gz UGZUMTXLMFVXPP-CQSZACIVSA-N 1 3 333.436 1.016 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673669310 487084145 /nfs/dbraw/zinc/08/41/45/487084145.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 1 3 336.524 1.486 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673669310 487084148 /nfs/dbraw/zinc/08/41/48/487084148.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 1 3 336.524 1.486 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCCOCC[NH+](C)C)C1 ZINC000682613059 487397310 /nfs/dbraw/zinc/39/73/10/487397310.db2.gz FJPHVGSTRXGNFE-GOSISDBHSA-N 1 3 348.491 1.481 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1(C)C ZINC000669519992 485485401 /nfs/dbraw/zinc/48/54/01/485485401.db2.gz ZUXHXXRPTCDWTC-NNFUDEMPSA-N 1 3 337.508 1.757 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1)C(C)C ZINC000668348536 485616352 /nfs/dbraw/zinc/61/63/52/485616352.db2.gz WLLZQMDTDAAUQF-OAHLLOKOSA-N 1 3 340.512 1.210 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])N2CCCC2)cc1 ZINC000668592646 485928823 /nfs/dbraw/zinc/92/88/23/485928823.db2.gz KOGRUZYWUQXKPB-RCAFFNEUSA-N 1 3 332.448 1.646 20 0 EDADHO COc1cc(CNC(=O)CC2([NH3+])CCC2)ccc1OCCN(C)C ZINC000237336332 485976016 /nfs/dbraw/zinc/97/60/16/485976016.db2.gz UUMSWHBVVAANTB-UHFFFAOYSA-N 1 3 335.448 1.523 20 0 EDADHO CC[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)N(C)C)CC[C@H]1[NH3+] ZINC000668649574 485994116 /nfs/dbraw/zinc/99/41/16/485994116.db2.gz VFTTWMBOJZISGU-FGTMMUONSA-N 1 3 332.492 1.928 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N(C)Cc1ccccc1 ZINC000669474136 486228163 /nfs/dbraw/zinc/22/81/63/486228163.db2.gz CRILREUXVAPCTG-KBAYOESNSA-N 1 3 330.476 1.900 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCO1 ZINC000669483799 486250121 /nfs/dbraw/zinc/25/01/21/486250121.db2.gz NBZRYBCTKRBZPA-ZWKOTPCHSA-N 1 3 346.475 1.583 20 0 EDADHO CC[C@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669496425 486270797 /nfs/dbraw/zinc/27/07/97/486270797.db2.gz NHECAVRMMAFJBH-YJBOKZPZSA-N 1 3 344.503 1.854 20 0 EDADHO C[C@H]1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@@H]1C[NH3+] ZINC000262018298 486648795 /nfs/dbraw/zinc/64/87/95/486648795.db2.gz IHMWAKKHPMHZTJ-XJKSGUPXSA-N 1 3 325.478 1.496 20 0 EDADHO O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000168750116 534325773 /nfs/dbraw/zinc/32/57/73/534325773.db2.gz CNGWRNJXXXHWHS-OAHLLOKOSA-N 1 3 330.432 1.060 20 0 EDADHO CCCN1CCC([NH2+]CCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000183362099 528202329 /nfs/dbraw/zinc/20/23/29/528202329.db2.gz WNLWJGBPHMMLHY-UHFFFAOYSA-N 1 3 345.534 1.833 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333388952 535330792 /nfs/dbraw/zinc/33/07/92/535330792.db2.gz ONBRFHINIBESBX-JKSUJKDBSA-N 1 3 338.496 1.127 20 0 EDADHO CC[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1ccc(F)cn1 ZINC000352784373 535803530 /nfs/dbraw/zinc/80/35/30/535803530.db2.gz TVRARBGVZDDZIY-QGZVFWFLSA-N 1 3 338.471 1.652 20 0 EDADHO C[NH2+][C@@H](C)Cc1noc(-c2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000261733093 536346049 /nfs/dbraw/zinc/34/60/49/536346049.db2.gz KKFFYGIBHYMRIE-AWEZNQCLSA-N 1 3 329.448 1.634 20 0 EDADHO CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000727057582 578512181 /nfs/dbraw/zinc/51/21/81/578512181.db2.gz ALKPHWQDSCWPOS-HNNXBMFYSA-N 1 3 334.464 1.128 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCCC1 ZINC000729495753 578577516 /nfs/dbraw/zinc/57/75/16/578577516.db2.gz IJCUYSOKUIAGDC-HZPDHXFCSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CCN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775372661 580389514 /nfs/dbraw/zinc/38/95/14/580389514.db2.gz FTCYSTJIITXBAA-OWCLPIDISA-N 1 3 329.579 1.983 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891816303 590634439 /nfs/dbraw/zinc/63/44/39/590634439.db2.gz VKVZRKPGHHXCNU-WMZOPIPTSA-N 1 3 346.475 1.473 20 0 EDADHO CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCC1CC[NH+](C)CC1 ZINC000893046737 590635222 /nfs/dbraw/zinc/63/52/22/590635222.db2.gz HRAMLXOCGRSAMF-SFHVURJKSA-N 1 3 328.460 1.756 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857712 590659924 /nfs/dbraw/zinc/65/99/24/590659924.db2.gz DQFLCFHUSMNGQS-ZIAGYGMSSA-N 1 3 348.438 1.031 20 0 EDADHO CC(C)[NH+]1CCC(O)(CN[C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893106345 590664481 /nfs/dbraw/zinc/66/44/81/590664481.db2.gz PHOZZGYJFKXVNU-HUUCEWRRSA-N 1 3 330.444 1.445 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)Cc2ccccc2C1 ZINC000893191993 590703878 /nfs/dbraw/zinc/70/38/78/590703878.db2.gz RSGQODPSJZMTEO-HDICACEKSA-N 1 3 342.487 1.289 20 0 EDADHO CN(C)C1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)Cc2ccccc2C1 ZINC000893191993 590703882 /nfs/dbraw/zinc/70/38/82/590703882.db2.gz RSGQODPSJZMTEO-HDICACEKSA-N 1 3 342.487 1.289 20 0 EDADHO CC(C)C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)C(=O)NCCN(C)C ZINC000893260835 590741017 /nfs/dbraw/zinc/74/10/17/590741017.db2.gz RIWLSYCOPAEIAV-VNHYZAJKSA-N 1 3 348.329 1.842 20 0 EDADHO CCOC(=O)c1ncc(CNCCC[N@@H+]2CCCN(C)CC2)s1 ZINC000893318146 590775904 /nfs/dbraw/zinc/77/59/04/590775904.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 1 3 340.493 1.437 20 0 EDADHO CCOC(=O)c1ncc(CNCCC[N@H+]2CCCN(C)CC2)s1 ZINC000893318146 590775907 /nfs/dbraw/zinc/77/59/07/590775907.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 1 3 340.493 1.437 20 0 EDADHO CCOC(=O)c1ncc(CNCCCN2CCC[N@H+](C)CC2)s1 ZINC000893318146 590775913 /nfs/dbraw/zinc/77/59/13/590775913.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 1 3 340.493 1.437 20 0 EDADHO CCOC(=O)c1ncc(CNCCCN2CCC[N@@H+](C)CC2)s1 ZINC000893318146 590775917 /nfs/dbraw/zinc/77/59/17/590775917.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 1 3 340.493 1.437 20 0 EDADHO C[C@@H]1CN(c2ccncc2)CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000892059261 590776392 /nfs/dbraw/zinc/77/63/92/590776392.db2.gz AJVBZLPKDVABIA-QAPCUYQASA-N 1 3 331.464 1.691 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892163278 590834335 /nfs/dbraw/zinc/83/43/35/590834335.db2.gz LYXMYCBKRQZUKD-JKSUJKDBSA-N 1 3 331.464 1.834 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000893413793 590855186 /nfs/dbraw/zinc/85/51/86/590855186.db2.gz XRZRSOTTYVSZSZ-IMJJTQAJSA-N 1 3 326.510 1.017 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCSC1 ZINC000893413793 590855191 /nfs/dbraw/zinc/85/51/91/590855191.db2.gz XRZRSOTTYVSZSZ-IMJJTQAJSA-N 1 3 326.510 1.017 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO)[NH+]1CCCCC1 ZINC000892204053 590863863 /nfs/dbraw/zinc/86/38/63/590863863.db2.gz HTNFEHLTHFKVJE-IXDOHACOSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000892211730 590865906 /nfs/dbraw/zinc/86/59/06/590865906.db2.gz MDBFWCDPNBGBQZ-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000892211730 590865907 /nfs/dbraw/zinc/86/59/07/590865907.db2.gz MDBFWCDPNBGBQZ-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892274531 590906323 /nfs/dbraw/zinc/90/63/23/590906323.db2.gz ORFQRIUKUWDCSZ-GOEBONIOSA-N 1 3 329.448 1.586 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891455605 591078581 /nfs/dbraw/zinc/07/85/81/591078581.db2.gz FGRVHAHSLVTKAG-PKOBYXMFSA-N 1 3 346.475 1.711 20 0 EDADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891557387 591124078 /nfs/dbraw/zinc/12/40/78/591124078.db2.gz PYSGVLNFJCBQOU-OKZBNKHCSA-N 1 3 328.460 1.969 20 0 EDADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780909 591173225 /nfs/dbraw/zinc/17/32/25/591173225.db2.gz WOXDHAYHMIOOKJ-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672711 591178092 /nfs/dbraw/zinc/17/80/92/591178092.db2.gz CGACFQPVPZZBGZ-HZPDHXFCSA-N 1 3 338.496 1.319 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672709 591178452 /nfs/dbraw/zinc/17/84/52/591178452.db2.gz CGACFQPVPZZBGZ-CVEARBPZSA-N 1 3 338.496 1.319 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891673339 591179798 /nfs/dbraw/zinc/17/97/98/591179798.db2.gz KNQJEZDJMOSDHA-QGPMSJSTSA-N 1 3 330.476 1.728 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccn1 ZINC000891725035 591200583 /nfs/dbraw/zinc/20/05/83/591200583.db2.gz DKBHMWSDZRJNNQ-MAUKXSAKSA-N 1 3 347.463 1.106 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800920 591228414 /nfs/dbraw/zinc/22/84/14/591228414.db2.gz WZWBONCSSHHFTO-RDTXWAMCSA-N 1 3 339.443 1.984 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(N)ccn1 ZINC000891800920 591228417 /nfs/dbraw/zinc/22/84/17/591228417.db2.gz WZWBONCSSHHFTO-RDTXWAMCSA-N 1 3 339.443 1.984 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892944363 591234529 /nfs/dbraw/zinc/23/45/29/591234529.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892944363 591234530 /nfs/dbraw/zinc/23/45/30/591234530.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@@]3(C)Br)C2)CC1 ZINC000892948051 591235595 /nfs/dbraw/zinc/23/55/95/591235595.db2.gz LOJSDMDKENPZRT-VNHYZAJKSA-N 1 3 330.314 1.918 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000895666565 591246910 /nfs/dbraw/zinc/24/69/10/591246910.db2.gz NVCDIPHWALHPMX-ULQDDVLXSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@@H]1CCCC[C@@H]1O ZINC000895666565 591246913 /nfs/dbraw/zinc/24/69/13/591246913.db2.gz NVCDIPHWALHPMX-ULQDDVLXSA-N 1 3 342.528 1.499 20 0 EDADHO CCCSC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000894896274 591463157 /nfs/dbraw/zinc/46/31/57/591463157.db2.gz UIABQBKCNOZVPX-INIZCTEOSA-N 1 3 329.554 1.904 20 0 EDADHO C[C@H]1CCCN1CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000897518147 591519887 /nfs/dbraw/zinc/51/98/87/591519887.db2.gz DDSGKPMRLDIRCZ-HNNXBMFYSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000900020246 591870256 /nfs/dbraw/zinc/87/02/56/591870256.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 1 3 331.460 1.224 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000900020246 591870261 /nfs/dbraw/zinc/87/02/61/591870261.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 1 3 331.460 1.224 20 0 EDADHO CC[NH+]1CCC(N[C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366976 591892386 /nfs/dbraw/zinc/89/23/86/591892386.db2.gz JIKJFBCVXDYCBA-GFCCVEGCSA-N 1 3 325.844 1.488 20 0 EDADHO COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1=O ZINC000902201691 591944624 /nfs/dbraw/zinc/94/46/24/591944624.db2.gz OXCOUKKSNATFEV-AWEZNQCLSA-N 1 3 335.448 1.040 20 0 EDADHO COc1c[nH]c(CO)c(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1=O ZINC000902201691 591944626 /nfs/dbraw/zinc/94/46/26/591944626.db2.gz OXCOUKKSNATFEV-AWEZNQCLSA-N 1 3 335.448 1.040 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900299782 591980047 /nfs/dbraw/zinc/98/00/47/591980047.db2.gz JWCDWFJJVSGMJE-HKUYNNGSSA-N 1 3 333.476 1.122 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900299782 591980049 /nfs/dbraw/zinc/98/00/49/591980049.db2.gz JWCDWFJJVSGMJE-HKUYNNGSSA-N 1 3 333.476 1.122 20 0 EDADHO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C23CCN(CC2)C3)cc1 ZINC000900411421 592011196 /nfs/dbraw/zinc/01/11/96/592011196.db2.gz HTHUOBINPYHHPH-UHFFFAOYSA-N 1 3 330.432 1.611 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016203 /nfs/dbraw/zinc/01/62/03/592016203.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 1 3 338.540 1.735 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016206 /nfs/dbraw/zinc/01/62/06/592016206.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 1 3 338.540 1.735 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000900725950 592106210 /nfs/dbraw/zinc/10/62/10/592106210.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 1 3 334.508 1.242 20 0 EDADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000900725950 592106211 /nfs/dbraw/zinc/10/62/11/592106211.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 1 3 334.508 1.242 20 0 EDADHO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076443 592116261 /nfs/dbraw/zinc/11/62/61/592116261.db2.gz QAACUOHOSJZRIZ-CABCVRRESA-N 1 3 341.496 1.869 20 0 EDADHO OC1(C[NH2+][C@@H]2CCO[C@]23CCOC3)CCN(Cc2ccccc2)CC1 ZINC000903189294 592136032 /nfs/dbraw/zinc/13/60/32/592136032.db2.gz AGWRYHCLMICXDF-QUCCMNQESA-N 1 3 346.471 1.551 20 0 EDADHO CN(C)C1(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000900825691 592138753 /nfs/dbraw/zinc/13/87/53/592138753.db2.gz ACPAUMSESPBHEO-HXUWFJFHSA-N 1 3 345.487 1.049 20 0 EDADHO CN(C)C1(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)Cc2ccccc2C1 ZINC000900825691 592138756 /nfs/dbraw/zinc/13/87/56/592138756.db2.gz ACPAUMSESPBHEO-HXUWFJFHSA-N 1 3 345.487 1.049 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000900885825 592156787 /nfs/dbraw/zinc/15/67/87/592156787.db2.gz MKCIHMKGAJHONK-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO COCCOc1ccc(CNC(=O)CN2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497038 592188334 /nfs/dbraw/zinc/18/83/34/592188334.db2.gz NZCOZTZVUVTZKJ-NVXWUHKLSA-N 1 3 349.475 1.245 20 0 EDADHO C[C@]1(C2CC[NH+](C[C@H](O)[C@@H](N)Cc3ccccc3)CC2)COC(=O)N1 ZINC000903564039 592211594 /nfs/dbraw/zinc/21/15/94/592211594.db2.gz OESNUVNRILXFDT-JENIJYKNSA-N 1 3 347.459 1.128 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000901157062 592266249 /nfs/dbraw/zinc/26/62/49/592266249.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 1 3 335.492 1.309 20 0 EDADHO CN1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000901157062 592266252 /nfs/dbraw/zinc/26/62/52/592266252.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 1 3 335.492 1.309 20 0 EDADHO C[C@@H]1CCCN(C(=O)C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)C1 ZINC000903721477 592282476 /nfs/dbraw/zinc/28/24/76/592282476.db2.gz AYTOLOSIGVNGEV-POAQFYNOSA-N 1 3 349.519 1.726 20 0 EDADHO CCOCCCNC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722984 592283562 /nfs/dbraw/zinc/28/35/62/592283562.db2.gz FOPNASZQVSQOTE-INIZCTEOSA-N 1 3 325.497 1.631 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000901200689 592283643 /nfs/dbraw/zinc/28/36/43/592283643.db2.gz IPYADGINEPRRSH-QZTJIDSGSA-N 1 3 347.507 1.748 20 0 EDADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000901200689 592283645 /nfs/dbraw/zinc/28/36/45/592283645.db2.gz IPYADGINEPRRSH-QZTJIDSGSA-N 1 3 347.507 1.748 20 0 EDADHO CCCC(=O)NC[C@@H]1CCCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725501 592285254 /nfs/dbraw/zinc/28/52/54/592285254.db2.gz BTCDLQOTKJUQHQ-DLBZAZTESA-N 1 3 337.508 1.773 20 0 EDADHO CCO[C@@H]1C[C@@H](O)C12CCN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734451 592297694 /nfs/dbraw/zinc/29/76/94/592297694.db2.gz QXLJZWKFCAZLMU-GVDBMIGSSA-N 1 3 338.492 1.397 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736798 592298787 /nfs/dbraw/zinc/29/87/87/592298787.db2.gz NAQZPYNKIYDIMQ-XCDZQEORSA-N 1 3 337.508 1.329 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637704 592300709 /nfs/dbraw/zinc/30/07/09/592300709.db2.gz VHGIRKRNPBJRRL-AWEZNQCLSA-N 1 3 332.448 1.862 20 0 EDADHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740601 592303305 /nfs/dbraw/zinc/30/33/05/592303305.db2.gz XSQRRRBVWLEQBQ-MPGHIAIKSA-N 1 3 331.464 1.172 20 0 EDADHO c1ccc([C@H](CN2CCOCC2)NC[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903761045 592307341 /nfs/dbraw/zinc/30/73/41/592307341.db2.gz ZHLXQSLYXYAJBM-HSALFYBXSA-N 1 3 345.487 1.418 20 0 EDADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(Cc2ccccc2CF)CC1 ZINC000903769436 592310935 /nfs/dbraw/zinc/31/09/35/592310935.db2.gz GDWOMHARPWFWQM-SJORKVTESA-N 1 3 333.407 1.913 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC000903865339 592341615 /nfs/dbraw/zinc/34/16/15/592341615.db2.gz CMZRETIGXCORAV-IEBWSBKVSA-N 1 3 330.476 1.233 20 0 EDADHO Cc1nc([C@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n[nH]1 ZINC000903898367 592369783 /nfs/dbraw/zinc/36/97/83/592369783.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 1 3 331.468 1.152 20 0 EDADHO Cc1n[nH]c([C@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)n1 ZINC000903898367 592369787 /nfs/dbraw/zinc/36/97/87/592369787.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 1 3 331.468 1.152 20 0 EDADHO Cc1nnc([C@H]2CCCN(C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898367 592369791 /nfs/dbraw/zinc/36/97/91/592369791.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 1 3 331.468 1.152 20 0 EDADHO Cc1cnn(CC2CCN(C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903904061 592371376 /nfs/dbraw/zinc/37/13/76/592371376.db2.gz ONSDIBIFYJUNOA-SFHVURJKSA-N 1 3 344.507 1.763 20 0 EDADHO NC(=O)c1ccc(N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903908671 592373376 /nfs/dbraw/zinc/37/33/76/592373376.db2.gz NLTSWRLEVJGNHF-ZXFUBFMLSA-N 1 3 328.460 1.438 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCc1cn2ccccc2n1 ZINC000903928349 592382599 /nfs/dbraw/zinc/38/25/99/592382599.db2.gz XTNMXSMXTPGHSE-OAHLLOKOSA-N 1 3 325.420 1.183 20 0 EDADHO CCn1nc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c2ccccc21 ZINC000903976813 592398294 /nfs/dbraw/zinc/39/82/94/592398294.db2.gz BQHOTYBHDBGNGV-KSMMKXTCSA-N 1 3 342.443 1.769 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905072935 592402270 /nfs/dbraw/zinc/40/22/70/592402270.db2.gz UAZGYFDCHQHELL-SLFFLAALSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905072935 592402275 /nfs/dbraw/zinc/40/22/75/592402275.db2.gz UAZGYFDCHQHELL-SLFFLAALSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000908359215 592464665 /nfs/dbraw/zinc/46/46/65/592464665.db2.gz SFMVTFOQVHLYMC-OAHLLOKOSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000908359215 592464667 /nfs/dbraw/zinc/46/46/67/592464667.db2.gz SFMVTFOQVHLYMC-OAHLLOKOSA-N 1 3 335.492 1.430 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@H]1C(C)C ZINC000905503693 592546788 /nfs/dbraw/zinc/54/67/88/592546788.db2.gz SHQZUTKLPOATLW-VHPHOLNESA-N 1 3 342.524 1.479 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC[C@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905889614 592669022 /nfs/dbraw/zinc/66/90/22/592669022.db2.gz NKFKTBVYKPCXPG-RTBURBONSA-N 1 3 336.476 1.520 20 0 EDADHO Cc1nccn1CCCC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000733882219 592954678 /nfs/dbraw/zinc/95/46/78/592954678.db2.gz FXQHRGPZQQZHOV-UHFFFAOYSA-N 1 3 335.496 1.362 20 0 EDADHO C[C@]1(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CN2CCC1CC2 ZINC000912373660 593091156 /nfs/dbraw/zinc/09/11/56/593091156.db2.gz GAVHPJOSNQMZLR-AEFFLSMTSA-N 1 3 337.533 1.804 20 0 EDADHO COC(OC)c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)o1 ZINC000806933385 593129193 /nfs/dbraw/zinc/12/91/93/593129193.db2.gz ILGXQLZZXAFHRR-UHFFFAOYSA-N 1 3 327.425 1.136 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2oc1=O ZINC000103211691 593220702 /nfs/dbraw/zinc/22/07/02/593220702.db2.gz NUJCMVNJTLJOEK-UHFFFAOYSA-N 1 3 331.416 1.358 20 0 EDADHO C[NH+](C)CCn1ccc(NC(=O)C2C[C@H](c3ccccc3)OC2=O)n1 ZINC000809644736 593352158 /nfs/dbraw/zinc/35/21/58/593352158.db2.gz VMPPYZCAGCNEFU-HUUCEWRRSA-N 1 3 342.399 1.688 20 0 EDADHO CC(C)OCCONC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000812882821 593512134 /nfs/dbraw/zinc/51/21/34/593512134.db2.gz MVUPZBGFNJTKAQ-UHFFFAOYSA-N 1 3 342.484 1.201 20 0 EDADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817942569 593650707 /nfs/dbraw/zinc/65/07/07/593650707.db2.gz APCHOYOSQHVVEX-LBPRGKRZSA-N 1 3 347.431 1.239 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC[C@@H](O)c2ccc(F)cn2)c1 ZINC000819010551 593733830 /nfs/dbraw/zinc/73/38/30/593733830.db2.gz CZEOMCVKSMAPED-GOSISDBHSA-N 1 3 333.407 1.984 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000819219254 593744842 /nfs/dbraw/zinc/74/48/42/593744842.db2.gz ORCSJTQGIFDNAZ-IEBWSBKVSA-N 1 3 345.418 1.611 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000819219254 593744843 /nfs/dbraw/zinc/74/48/43/593744843.db2.gz ORCSJTQGIFDNAZ-IEBWSBKVSA-N 1 3 345.418 1.611 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000820087545 593789926 /nfs/dbraw/zinc/78/99/26/593789926.db2.gz XQMSMPSFKNZKIA-JCGIZDLHSA-N 1 3 348.491 1.736 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000820087545 593789927 /nfs/dbraw/zinc/78/99/27/593789927.db2.gz XQMSMPSFKNZKIA-JCGIZDLHSA-N 1 3 348.491 1.736 20 0 EDADHO C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824547872 594036780 /nfs/dbraw/zinc/03/67/80/594036780.db2.gz TYCYJYFNOFSPNB-AWEZNQCLSA-N 1 3 343.479 1.543 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000824825538 594080777 /nfs/dbraw/zinc/08/07/77/594080777.db2.gz BFOXUUHGBYFQHH-USXIJHARSA-N 1 3 325.497 1.722 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC000824825538 594080779 /nfs/dbraw/zinc/08/07/79/594080779.db2.gz BFOXUUHGBYFQHH-USXIJHARSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)(C)[NH2+]CCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000824940471 594101340 /nfs/dbraw/zinc/10/13/40/594101340.db2.gz BXDDQACWUMJNON-KRWDZBQOSA-N 1 3 333.476 1.648 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)C(C)C ZINC000830357513 594381920 /nfs/dbraw/zinc/38/19/20/594381920.db2.gz AXXXWWKVVDHNOV-MRXNPFEDSA-N 1 3 340.512 1.070 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1)C(C)C ZINC000830357513 594381922 /nfs/dbraw/zinc/38/19/22/594381922.db2.gz AXXXWWKVVDHNOV-MRXNPFEDSA-N 1 3 340.512 1.070 20 0 EDADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cn1 ZINC000826653779 594547482 /nfs/dbraw/zinc/54/74/82/594547482.db2.gz ITWJIZRVEVFFEB-GOSISDBHSA-N 1 3 347.507 1.972 20 0 EDADHO CN(C)CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)cn1 ZINC000826653779 594547484 /nfs/dbraw/zinc/54/74/84/594547484.db2.gz ITWJIZRVEVFFEB-GOSISDBHSA-N 1 3 347.507 1.972 20 0 EDADHO C[C@@]1(NC(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000831078246 594550151 /nfs/dbraw/zinc/55/01/51/594550151.db2.gz DCXZLYXXDPUOIP-RBUKOAKNSA-N 1 3 330.476 1.950 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907506 594599667 /nfs/dbraw/zinc/59/96/67/594599667.db2.gz QEYDQDLHZLKELN-RBUKOAKNSA-N 1 3 344.503 1.609 20 0 EDADHO CC[C@H](C[C@@H](C)O)NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000831311436 594605151 /nfs/dbraw/zinc/60/51/51/594605151.db2.gz OMMSJRLMGNHDSX-NVXWUHKLSA-N 1 3 339.524 1.848 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000841310634 594883786 /nfs/dbraw/zinc/88/37/86/594883786.db2.gz GPZKCZQDFXGKML-HOTGVXAUSA-N 1 3 332.448 1.781 20 0 EDADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847576 594964880 /nfs/dbraw/zinc/96/48/80/594964880.db2.gz TWMPQYPUAVSARI-GUYCJALGSA-N 1 3 345.443 1.922 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)NCc3ccc(CC[NH3+])cc3)C2)C1 ZINC000841933356 594985169 /nfs/dbraw/zinc/98/51/69/594985169.db2.gz MTAAMLRIACXWNI-IBGZPJMESA-N 1 3 330.476 1.815 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N(CCc2ccccc2)CCN(C)C)CC[NH2+]1 ZINC000841990304 594996685 /nfs/dbraw/zinc/99/66/85/594996685.db2.gz ZEPCXRCXKBHXDD-WMZOPIPTSA-N 1 3 332.492 1.943 20 0 EDADHO CCc1ccccc1NC(=O)CNC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000843353667 595084130 /nfs/dbraw/zinc/08/41/30/595084130.db2.gz IHICJMCCCCAWNU-UHFFFAOYSA-N 1 3 346.475 1.505 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)n1 ZINC000834805403 595217877 /nfs/dbraw/zinc/21/78/77/595217877.db2.gz RLSJCCZJCBKVPB-VNHYZAJKSA-N 1 3 336.867 1.891 20 0 EDADHO O=C(CO[C@H]1CCC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000844172978 595291368 /nfs/dbraw/zinc/29/13/68/595291368.db2.gz LMVJHSQBLHSSQP-HNNXBMFYSA-N 1 3 341.521 1.233 20 0 EDADHO CN(C)CC[C@H](N)c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000844908515 595411478 /nfs/dbraw/zinc/41/14/78/595411478.db2.gz HIVMLQGXLYHVIA-HNNXBMFYSA-N 1 3 333.436 1.629 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717441 595435558 /nfs/dbraw/zinc/43/55/58/595435558.db2.gz BVFQTFIDVYWLNL-ONGXEEELSA-N 1 3 329.388 1.160 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000847592713 595453845 /nfs/dbraw/zinc/45/38/45/595453845.db2.gz ULROHKAIQTZADE-GOSISDBHSA-N 1 3 333.476 1.367 20 0 EDADHO COCCOCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849057322 595476128 /nfs/dbraw/zinc/47/61/28/595476128.db2.gz INURWJJIPDHRSI-UHFFFAOYSA-N 1 3 348.491 1.818 20 0 EDADHO [NH2+]=C(NC[C@H]1COCCO1)NC1CCN(Cc2ccccc2)CC1 ZINC000849068763 595477395 /nfs/dbraw/zinc/47/73/95/595477395.db2.gz LWJGCXZXOCTZJB-KRWDZBQOSA-N 1 3 332.448 1.180 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070984 595477884 /nfs/dbraw/zinc/47/78/84/595477884.db2.gz BNOZKIHIXBYNNO-QGZVFWFLSA-N 1 3 343.475 1.677 20 0 EDADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754281 595526652 /nfs/dbraw/zinc/52/66/52/595526652.db2.gz SATMZWGZHXGIIY-SJLPKXTDSA-N 1 3 335.492 1.478 20 0 EDADHO OCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765196 595533193 /nfs/dbraw/zinc/53/31/93/595533193.db2.gz OASMKMBYSNEKQB-INIZCTEOSA-N 1 3 335.496 1.551 20 0 EDADHO OCCCCCC[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852765196 595533195 /nfs/dbraw/zinc/53/31/95/595533195.db2.gz OASMKMBYSNEKQB-INIZCTEOSA-N 1 3 335.496 1.551 20 0 EDADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482652 595546774 /nfs/dbraw/zinc/54/67/74/595546774.db2.gz SFUGCXRXJNPCOK-MSOLQXFVSA-N 1 3 349.523 1.692 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487303 595547799 /nfs/dbraw/zinc/54/77/99/595547799.db2.gz OPPCHWBSHXFRAJ-DLBZAZTESA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541157 595560919 /nfs/dbraw/zinc/56/09/19/595560919.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541157 595560922 /nfs/dbraw/zinc/56/09/22/595560922.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 1 3 349.523 1.690 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852895106 595602749 /nfs/dbraw/zinc/60/27/49/595602749.db2.gz XEKFFBJEBVKDMZ-ZBFHGGJFSA-N 1 3 336.480 1.593 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852895106 595602753 /nfs/dbraw/zinc/60/27/53/595602753.db2.gz XEKFFBJEBVKDMZ-ZBFHGGJFSA-N 1 3 336.480 1.593 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCO1 ZINC000856431579 595989174 /nfs/dbraw/zinc/98/91/74/595989174.db2.gz SXDTVPJZKNYAKD-YJBOKZPZSA-N 1 3 343.487 1.768 20 0 EDADHO CN(CCc1cn(C)nn1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000859160612 595991999 /nfs/dbraw/zinc/99/19/99/595991999.db2.gz JHNUDSOMBKGVSR-UHFFFAOYSA-N 1 3 348.539 1.486 20 0 EDADHO CC(=O)[C@](C)(O)CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604476 596032122 /nfs/dbraw/zinc/03/21/22/596032122.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 1 3 349.475 1.715 20 0 EDADHO CC(=O)[C@](C)(O)CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604476 596032126 /nfs/dbraw/zinc/03/21/26/596032126.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 1 3 349.475 1.715 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000861717805 596079588 /nfs/dbraw/zinc/07/95/88/596079588.db2.gz TZZYNAZSKGLNND-QZTJIDSGSA-N 1 3 331.460 1.072 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000859621423 596148967 /nfs/dbraw/zinc/14/89/67/596148967.db2.gz LGRFIRWEBXFSSK-OAHLLOKOSA-N 1 3 333.480 1.948 20 0 EDADHO COC(=O)/C=C\c1ccc(OCCN(C)CCN2CC[NH2+]CC2)cc1 ZINC000866659646 596283795 /nfs/dbraw/zinc/28/37/95/596283795.db2.gz QKTWEPBQPNPDEC-YVMONPNESA-N 1 3 347.459 1.089 20 0 EDADHO CC1(C)CC[C@H](CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660405 596283843 /nfs/dbraw/zinc/28/38/43/596283843.db2.gz HRXOSKVRAZSGHD-BRWVUGGUSA-N 1 3 337.508 1.772 20 0 EDADHO Cc1ccccc1OCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714667 596306407 /nfs/dbraw/zinc/30/64/07/596306407.db2.gz UWJIEWLMWIKVTJ-INMHGKMJSA-N 1 3 331.416 1.241 20 0 EDADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc3c(cnn3C)c2)C[C@@H](C)O1 ZINC000865470717 596584387 /nfs/dbraw/zinc/58/43/87/596584387.db2.gz FJZHXTWNWVFEAT-HUUCEWRRSA-N 1 3 331.464 1.947 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNC1CCC(C)([NH+](C)C)CC1 ZINC000865766027 596673751 /nfs/dbraw/zinc/67/37/51/596673751.db2.gz XXUFISMEWCVSTN-UHFFFAOYSA-N 1 3 349.523 1.918 20 0 EDADHO CC(=O)c1cccc(C(=O)N2C[C@@H](CN(C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020443 596711318 /nfs/dbraw/zinc/71/13/18/596711318.db2.gz QCRUTIVVNTZUSV-QZTJIDSGSA-N 1 3 331.460 1.701 20 0 EDADHO CN1CCN(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1(C)C ZINC000868179408 596713285 /nfs/dbraw/zinc/71/32/85/596713285.db2.gz OXHRSUQIMCRPPV-DLBZAZTESA-N 1 3 345.491 1.649 20 0 EDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000872144907 596810442 /nfs/dbraw/zinc/81/04/42/596810442.db2.gz IGQGPOUUDJLFCV-HRCADAONSA-N 1 3 333.480 1.424 20 0 EDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)C1 ZINC000872144907 596810444 /nfs/dbraw/zinc/81/04/44/596810444.db2.gz IGQGPOUUDJLFCV-HRCADAONSA-N 1 3 333.480 1.424 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872198573 596831517 /nfs/dbraw/zinc/83/15/17/596831517.db2.gz RFFSJYNGRTUHCV-IBGZPJMESA-N 1 3 349.519 1.436 20 0 EDADHO Cc1cc(C)c(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254519 596855471 /nfs/dbraw/zinc/85/54/71/596855471.db2.gz GHIHCRCBXCZUSP-KURKYZTESA-N 1 3 329.444 1.979 20 0 EDADHO CC(C)CN(CC1CC[NH+](C)CC1)CN1C[C@]2(CCOC2)CC1=O ZINC000872744259 597055646 /nfs/dbraw/zinc/05/56/46/597055646.db2.gz SHUQVWGLKVWWLT-IBGZPJMESA-N 1 3 337.508 1.883 20 0 EDADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CCCC1 ZINC000874432227 597075608 /nfs/dbraw/zinc/07/56/08/597075608.db2.gz VSGAYENFOMHEQV-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc2ccccc2nn1 ZINC000888612434 597180598 /nfs/dbraw/zinc/18/05/98/597180598.db2.gz WXKSYVYCEVQYSB-UHFFFAOYSA-N 1 3 330.436 1.587 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2cccc(-n3cc(CN)nn3)c2)[C@H]2CCC[C@H]21 ZINC000873245338 597237672 /nfs/dbraw/zinc/23/76/72/597237672.db2.gz ZFHLTVZCUYETCF-CEXWTWQISA-N 1 3 340.475 1.688 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876728943 597309722 /nfs/dbraw/zinc/30/97/22/597309722.db2.gz ZYUYLBIMNKJZAM-ZIAGYGMSSA-N 1 3 329.485 1.412 20 0 EDADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876875870 597365819 /nfs/dbraw/zinc/36/58/19/597365819.db2.gz COYLZAUTSARLBH-HOTGVXAUSA-N 1 3 339.430 1.849 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000876897144 597376000 /nfs/dbraw/zinc/37/60/00/597376000.db2.gz QBQYZMYKTPBQTB-RCCFBDPRSA-N 1 3 345.487 1.767 20 0 EDADHO CN(CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1)Cc1ccccc1 ZINC000876900237 597377249 /nfs/dbraw/zinc/37/72/49/597377249.db2.gz GRDKRQGSJDQLJK-UHFFFAOYSA-N 1 3 347.484 1.946 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962302 597398950 /nfs/dbraw/zinc/39/89/50/597398950.db2.gz OSBGAJDXAQLCOL-IAGOWNOFSA-N 1 3 334.439 1.357 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257930 597482059 /nfs/dbraw/zinc/48/20/59/597482059.db2.gz UOPOIUKJFPZKFM-PXNSSMCTSA-N 1 3 346.519 1.669 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1(C)C ZINC000877361471 597501198 /nfs/dbraw/zinc/50/11/98/597501198.db2.gz UOOVRNLISOXAGX-DYNIEEOBSA-N 1 3 337.386 1.115 20 0 EDADHO C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H](N)c1ccccc1 ZINC000877371436 597503728 /nfs/dbraw/zinc/50/37/28/597503728.db2.gz QNMDFXUCZSDGIG-DEQVHRJGSA-N 1 3 329.366 1.918 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]Cc2cc3c([nH]c2=O)CCCC3)CC1 ZINC000877779784 597555524 /nfs/dbraw/zinc/55/55/24/597555524.db2.gz YWMFRTSYIBHWLY-UHFFFAOYSA-N 1 3 333.476 1.991 20 0 EDADHO C[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000878116264 597579613 /nfs/dbraw/zinc/57/96/13/597579613.db2.gz GARRYHXMQGBFPS-INIZCTEOSA-N 1 3 333.451 1.901 20 0 EDADHO C[NH+](C)CCCCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000881623436 597661285 /nfs/dbraw/zinc/66/12/85/597661285.db2.gz XVCYJHBYHRPDAR-UHFFFAOYSA-N 1 3 338.496 1.051 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792135 /nfs/dbraw/zinc/79/21/35/597792135.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 1 3 337.508 1.602 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792137 /nfs/dbraw/zinc/79/21/37/597792137.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 1 3 337.508 1.602 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792139 /nfs/dbraw/zinc/79/21/39/597792139.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 1 3 337.508 1.602 20 0 EDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792141 /nfs/dbraw/zinc/79/21/41/597792141.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 1 3 337.508 1.602 20 0 EDADHO N[C@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000884346542 598076453 /nfs/dbraw/zinc/07/64/53/598076453.db2.gz OWFCFBZMNKZPRE-MRXNPFEDSA-N 1 3 345.491 1.710 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992926705 695457666 /nfs/dbraw/zinc/45/76/66/695457666.db2.gz QFTKVMDEYLMCQC-WDSOQIARSA-N 1 3 345.487 1.571 20 0 EDADHO CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCC1 ZINC001015502574 695555335 /nfs/dbraw/zinc/55/53/35/695555335.db2.gz GJGVJEBBHPYJFP-SJORKVTESA-N 1 3 337.508 1.866 20 0 EDADHO CO[C@@H](C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1)C1CCC1 ZINC001015502574 695555337 /nfs/dbraw/zinc/55/53/37/695555337.db2.gz GJGVJEBBHPYJFP-SJORKVTESA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000915154163 695753083 /nfs/dbraw/zinc/75/30/83/695753083.db2.gz UTNUXFFDPOUKJE-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO COCCN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980951 696480375 /nfs/dbraw/zinc/48/03/75/696480375.db2.gz CIYIODISBHEGGF-YJBOKZPZSA-N 1 3 333.476 1.977 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CCCN1CCCO ZINC000993987065 696482821 /nfs/dbraw/zinc/48/28/21/696482821.db2.gz LLJLUFRLTZDGBN-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO CCC1([NH+](C)C)CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000918801493 697209460 /nfs/dbraw/zinc/20/94/60/697209460.db2.gz OOEVJTWPQZESTF-INIZCTEOSA-N 1 3 343.537 1.608 20 0 EDADHO CCCCN1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501748 701561456 /nfs/dbraw/zinc/56/14/56/701561456.db2.gz GTCWVFPYNIVUTO-IBGZPJMESA-N 1 3 348.535 1.489 20 0 EDADHO Cc1cc(CN[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)sn1 ZINC000939063435 699130357 /nfs/dbraw/zinc/13/03/57/699130357.db2.gz GEJPWYSPFSSCKB-MLGOLLRUSA-N 1 3 336.505 1.730 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567498 701579857 /nfs/dbraw/zinc/57/98/57/701579857.db2.gz VFZSYNQPXWIVTO-WMZOPIPTSA-N 1 3 336.524 1.059 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567498 701579858 /nfs/dbraw/zinc/57/98/58/701579858.db2.gz VFZSYNQPXWIVTO-WMZOPIPTSA-N 1 3 336.524 1.059 20 0 EDADHO C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCc1cncs1 ZINC000939256847 699434081 /nfs/dbraw/zinc/43/40/81/699434081.db2.gz FMHUILKSBULETD-XJKSGUPXSA-N 1 3 336.505 1.812 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000939546814 699688919 /nfs/dbraw/zinc/68/89/19/699688919.db2.gz UKJFRKCNJKOFCD-DOMZBBRYSA-N 1 3 334.489 1.484 20 0 EDADHO C[C@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH2+]Cc1cnns1 ZINC000939550144 699699216 /nfs/dbraw/zinc/69/92/16/699699216.db2.gz GTMZJHYRPNJSSG-SMDDNHRTSA-N 1 3 346.460 1.249 20 0 EDADHO O=C(N1CCN(C2CN(CC3CCCC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641108 701608469 /nfs/dbraw/zinc/60/84/69/701608469.db2.gz TYFWHDQJAZQUAM-UHFFFAOYSA-N 1 3 346.519 1.101 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CC1 ZINC000940148651 700281542 /nfs/dbraw/zinc/28/15/42/700281542.db2.gz CCWGGCOFKGJIAN-AWEZNQCLSA-N 1 3 337.493 1.349 20 0 EDADHO Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000940149263 700282217 /nfs/dbraw/zinc/28/22/17/700282217.db2.gz ILDHHUPNPLKWLL-UHFFFAOYSA-N 1 3 334.464 1.938 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCCN3C)CC2)o1 ZINC000940179054 700312767 /nfs/dbraw/zinc/31/27/67/700312767.db2.gz QEFZDTGKVFUKMS-INIZCTEOSA-N 1 3 334.464 1.938 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1 ZINC000940296415 700468427 /nfs/dbraw/zinc/46/84/27/700468427.db2.gz KDCHGNSAHXQEML-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC000940329741 700509434 /nfs/dbraw/zinc/50/94/34/700509434.db2.gz YGVAFIXJBDPMHW-HNNXBMFYSA-N 1 3 345.491 1.598 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)ncn2)CC1)N(C)C ZINC000940333958 700513899 /nfs/dbraw/zinc/51/38/99/700513899.db2.gz DEVWMZKPWQAEAI-INIZCTEOSA-N 1 3 333.480 1.596 20 0 EDADHO Cn1ccnc1CNC[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082460 700724978 /nfs/dbraw/zinc/72/49/78/700724978.db2.gz YTBDOAXVIPKWNG-HOCLYGCPSA-N 1 3 333.480 1.136 20 0 EDADHO Cc1nccnc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626133 700788471 /nfs/dbraw/zinc/78/84/71/700788471.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 1 3 345.491 1.596 20 0 EDADHO Cc1nccnc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940626133 700788472 /nfs/dbraw/zinc/78/84/72/700788472.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 1 3 345.491 1.596 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456914 701543230 /nfs/dbraw/zinc/54/32/30/701543230.db2.gz VSNARCMGWOYLCM-PKOBYXMFSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456914 701543231 /nfs/dbraw/zinc/54/32/31/701543231.db2.gz VSNARCMGWOYLCM-PKOBYXMFSA-N 1 3 348.535 1.488 20 0 EDADHO C[C@H]1CC[C@H](CN2CC(CNC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001032207384 702186711 /nfs/dbraw/zinc/18/67/11/702186711.db2.gz OZADFOJNBWJHAH-HNAYVOBHSA-N 1 3 345.487 1.977 20 0 EDADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)CCC1 ZINC000995900732 702207456 /nfs/dbraw/zinc/20/74/56/702207456.db2.gz YVRCPMRCGQRHIO-INIZCTEOSA-N 1 3 330.476 1.893 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300281 702691812 /nfs/dbraw/zinc/69/18/12/702691812.db2.gz LEWSBTGWKJQOPQ-HOCLYGCPSA-N 1 3 333.480 1.231 20 0 EDADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000996355970 702733327 /nfs/dbraw/zinc/73/33/27/702733327.db2.gz PDHQJMQIYQSPRO-INIZCTEOSA-N 1 3 334.464 1.596 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)ncn1 ZINC000996560615 702879124 /nfs/dbraw/zinc/87/91/24/702879124.db2.gz KYXRMJGEDXVTFX-GOSISDBHSA-N 1 3 343.475 1.207 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605457 702915010 /nfs/dbraw/zinc/91/50/10/702915010.db2.gz FITIINDXYXOFKY-RHSMWYFYSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605457 702915012 /nfs/dbraw/zinc/91/50/12/702915012.db2.gz FITIINDXYXOFKY-RHSMWYFYSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)sn1 ZINC000996618546 702925167 /nfs/dbraw/zinc/92/51/67/702925167.db2.gz XPNZNMFHGXSLKC-ZFWWWQNUSA-N 1 3 336.505 1.730 20 0 EDADHO Cc1cc(CN[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)sn1 ZINC000996618546 702925170 /nfs/dbraw/zinc/92/51/70/702925170.db2.gz XPNZNMFHGXSLKC-ZFWWWQNUSA-N 1 3 336.505 1.730 20 0 EDADHO CCn1ccc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996674357 702969685 /nfs/dbraw/zinc/96/96/85/702969685.db2.gz CDEWBMUFYPSLJA-KRWDZBQOSA-N 1 3 333.480 1.324 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996676742 702975779 /nfs/dbraw/zinc/97/57/79/702975779.db2.gz HZWOJDYHACKDNA-GOSISDBHSA-N 1 3 346.475 1.511 20 0 EDADHO Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996680697 702978765 /nfs/dbraw/zinc/97/87/65/702978765.db2.gz UHCGZVOMVXXGRT-SFHVURJKSA-N 1 3 330.476 1.811 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000996680856 702979373 /nfs/dbraw/zinc/97/93/73/702979373.db2.gz VURVZHXBOZLEOL-IUPXNIOVSA-N 1 3 337.508 1.722 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)N(C)C ZINC000996691349 702988814 /nfs/dbraw/zinc/98/88/14/702988814.db2.gz KQZNDWAUDHZZGK-WBVHZDCISA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1)N(C)C ZINC000996692497 702989673 /nfs/dbraw/zinc/98/96/73/702989673.db2.gz NFXGQDLRJLJWFF-WBVHZDCISA-N 1 3 325.497 1.580 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)N(C)C ZINC000996695496 702991996 /nfs/dbraw/zinc/99/19/96/702991996.db2.gz LRQPNWUVRNKURR-SJORKVTESA-N 1 3 325.497 1.722 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)N(C)C ZINC000996713607 703008753 /nfs/dbraw/zinc/00/87/53/703008753.db2.gz WUHMMIUTCKQQGQ-QGZVFWFLSA-N 1 3 325.497 1.724 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cn1 ZINC000996965216 703225621 /nfs/dbraw/zinc/22/56/21/703225621.db2.gz NHVBYHGDOYKQTR-GOSISDBHSA-N 1 3 349.523 1.612 20 0 EDADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)C1 ZINC000996999391 703256222 /nfs/dbraw/zinc/25/62/22/703256222.db2.gz NZSKJVACCRBUCV-KRWDZBQOSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997004608 703261526 /nfs/dbraw/zinc/26/15/26/703261526.db2.gz FNXIQNYDULHDGY-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(NCc3cc4n(n3)CCC4)CC2)C1 ZINC000997004608 703261527 /nfs/dbraw/zinc/26/15/27/703261527.db2.gz FNXIQNYDULHDGY-HNNXBMFYSA-N 1 3 345.491 1.252 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000997010916 703270870 /nfs/dbraw/zinc/27/08/70/703270870.db2.gz UQNLFHCBIJUDAK-GUYCJALGSA-N 1 3 331.464 1.063 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000997010916 703270873 /nfs/dbraw/zinc/27/08/73/703270873.db2.gz UQNLFHCBIJUDAK-GUYCJALGSA-N 1 3 331.464 1.063 20 0 EDADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC(C)(C)C)n1 ZINC001032408969 703438236 /nfs/dbraw/zinc/43/82/36/703438236.db2.gz QMVYMZZXBFMVST-HOTGVXAUSA-N 1 3 347.507 1.780 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997183591 703468827 /nfs/dbraw/zinc/46/88/27/703468827.db2.gz LDKJMYKKMHUSHL-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997183591 703468829 /nfs/dbraw/zinc/46/88/29/703468829.db2.gz LDKJMYKKMHUSHL-HNNXBMFYSA-N 1 3 333.480 1.325 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000997301301 703544735 /nfs/dbraw/zinc/54/47/35/703544735.db2.gz DUEARCQNLHYDFK-UHFFFAOYSA-N 1 3 345.491 1.396 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997359269 703589793 /nfs/dbraw/zinc/58/97/93/703589793.db2.gz HJPURBCNCJRCDO-ZIAGYGMSSA-N 1 3 334.464 1.936 20 0 EDADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1C ZINC000997606486 703899601 /nfs/dbraw/zinc/89/96/01/703899601.db2.gz LLKPMVSFZAGNOL-QGZVFWFLSA-N 1 3 333.480 1.151 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004207145 703965831 /nfs/dbraw/zinc/96/58/31/703965831.db2.gz QEKHENBBRBXJEU-OAHLLOKOSA-N 1 3 333.476 1.977 20 0 EDADHO CC1([NH+]2CCC2)CCC(NCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000922846603 704422690 /nfs/dbraw/zinc/42/26/90/704422690.db2.gz ONEKHDYSDQVTHX-UHFFFAOYSA-N 1 3 343.518 1.892 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004456873 704450258 /nfs/dbraw/zinc/45/02/58/704450258.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004456873 704450259 /nfs/dbraw/zinc/45/02/59/704450259.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 1 3 337.508 1.555 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3cnns3)CC2)CC[N@@H+]1C ZINC000997793054 704699488 /nfs/dbraw/zinc/69/94/88/704699488.db2.gz KTXAASPYPMVYGD-IUODEOHRSA-N 1 3 337.493 1.207 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2CCC(CNCc3cnns3)CC2)CC[N@H+]1C ZINC000997793054 704699490 /nfs/dbraw/zinc/69/94/90/704699490.db2.gz KTXAASPYPMVYGD-IUODEOHRSA-N 1 3 337.493 1.207 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000998076565 705296297 /nfs/dbraw/zinc/29/62/97/705296297.db2.gz ACDVQJHOLUUFIU-SUMWQHHRSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000998076565 705296301 /nfs/dbraw/zinc/29/63/01/705296301.db2.gz ACDVQJHOLUUFIU-SUMWQHHRSA-N 1 3 334.464 1.509 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076593 705296414 /nfs/dbraw/zinc/29/64/14/705296414.db2.gz AKVFCQRRAQQWFG-WMLDXEAASA-N 1 3 345.491 1.311 20 0 EDADHO Cc1nccnc1CNCC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998076593 705296416 /nfs/dbraw/zinc/29/64/16/705296416.db2.gz AKVFCQRRAQQWFG-WMLDXEAASA-N 1 3 345.491 1.311 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1cnccn1 ZINC000998081986 705308490 /nfs/dbraw/zinc/30/84/90/705308490.db2.gz MZXZGIXHKXRURU-JKSUJKDBSA-N 1 3 345.491 1.850 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998082198 705308655 /nfs/dbraw/zinc/30/86/55/705308655.db2.gz OHFBGAZYARWPED-HNNXBMFYSA-N 1 3 348.466 1.891 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998115160 705365965 /nfs/dbraw/zinc/36/59/65/705365965.db2.gz MUIDAMBXACNABY-UHFFFAOYSA-N 1 3 331.395 1.515 20 0 EDADHO CCn1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000998267949 705639429 /nfs/dbraw/zinc/63/94/29/705639429.db2.gz BBDVMSCJCDUJNC-UHFFFAOYSA-N 1 3 333.480 1.327 20 0 EDADHO Cc1csc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998268079 705640135 /nfs/dbraw/zinc/64/01/35/705640135.db2.gz ASIMUOLOPLCJBG-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1csc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998268079 705640136 /nfs/dbraw/zinc/64/01/36/705640136.db2.gz ASIMUOLOPLCJBG-OAHLLOKOSA-N 1 3 336.505 1.731 20 0 EDADHO COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)sn1 ZINC000998553381 705991308 /nfs/dbraw/zinc/99/13/08/705991308.db2.gz WMYWIOFRSSPAHI-ORHYLEIMSA-N 1 3 338.477 1.325 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnnn3CC)C2)CC[N@@H+]1C ZINC000998792959 706239920 /nfs/dbraw/zinc/23/99/20/706239920.db2.gz GSVJEPGHZIQOTD-YQEWQEHLSA-N 1 3 348.495 1.107 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3cnnn3CC)C2)CC[N@H+]1C ZINC000998792959 706239922 /nfs/dbraw/zinc/23/99/22/706239922.db2.gz GSVJEPGHZIQOTD-YQEWQEHLSA-N 1 3 348.495 1.107 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519415 /nfs/dbraw/zinc/51/94/15/706519415.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 1 3 348.516 1.908 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519417 /nfs/dbraw/zinc/51/94/17/706519417.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 1 3 348.516 1.908 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531602 /nfs/dbraw/zinc/53/16/02/706531602.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 1 3 348.516 1.908 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531604 /nfs/dbraw/zinc/53/16/04/706531604.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 1 3 348.516 1.908 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)C1CC1 ZINC000999368907 706882089 /nfs/dbraw/zinc/88/20/89/706882089.db2.gz HOHHEYFTEZBVCB-ROUUACIJSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408394 706918090 /nfs/dbraw/zinc/91/80/90/706918090.db2.gz KALXZQNTJHNDDB-WLYUNCDWSA-N 1 3 336.505 1.606 20 0 EDADHO Cc1ncoc1CNC1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999409231 706919246 /nfs/dbraw/zinc/91/92/46/706919246.db2.gz QCBRBULLOIQKAZ-UHFFFAOYSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1ncoc1CNC1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000999409231 706919249 /nfs/dbraw/zinc/91/92/49/706919249.db2.gz QCBRBULLOIQKAZ-UHFFFAOYSA-N 1 3 334.464 1.794 20 0 EDADHO CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244376 /nfs/dbraw/zinc/24/43/76/707244376.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 1 3 337.508 1.676 20 0 EDADHO CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244379 /nfs/dbraw/zinc/24/43/79/707244379.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 1 3 337.508 1.676 20 0 EDADHO Cn1cncc1CN[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870245 707511956 /nfs/dbraw/zinc/51/19/56/707511956.db2.gz DEKMMMYCCDCEME-HNNXBMFYSA-N 1 3 333.480 1.375 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001033665938 708449394 /nfs/dbraw/zinc/44/93/94/708449394.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 1 3 344.503 1.737 20 0 EDADHO CN(C)c1ccccc1CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001033665938 708449396 /nfs/dbraw/zinc/44/93/96/708449396.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 1 3 344.503 1.737 20 0 EDADHO COCc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033666027 708450162 /nfs/dbraw/zinc/45/01/62/708450162.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 1 3 345.487 1.817 20 0 EDADHO COCc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033666027 708450163 /nfs/dbraw/zinc/45/01/63/708450163.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 1 3 345.487 1.817 20 0 EDADHO CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(CCOC2CCC2)C1 ZINC001033830964 708852962 /nfs/dbraw/zinc/85/29/62/708852962.db2.gz QRXVAIDNTKFKFC-HKUYNNGSSA-N 1 3 349.519 1.820 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(CCn2cccn2)C1 ZINC001033837875 708867595 /nfs/dbraw/zinc/86/75/95/708867595.db2.gz KNLGFLFTTKZARW-IXDOHACOSA-N 1 3 333.480 1.146 20 0 EDADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(CCn2cccn2)C1 ZINC001033837875 708867596 /nfs/dbraw/zinc/86/75/96/708867596.db2.gz KNLGFLFTTKZARW-IXDOHACOSA-N 1 3 333.480 1.146 20 0 EDADHO CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CCOC)C1 ZINC001033955539 709137066 /nfs/dbraw/zinc/13/70/66/709137066.db2.gz ZPJUTKOQRUWSGH-LJQANCHMSA-N 1 3 347.503 1.974 20 0 EDADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(C[C@H]2CC(C)(C)CO2)C1 ZINC001034016025 709232645 /nfs/dbraw/zinc/23/26/45/709232645.db2.gz KPJUNYFYXSXAIU-DLBZAZTESA-N 1 3 349.519 1.820 20 0 EDADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832467 709698655 /nfs/dbraw/zinc/69/86/55/709698655.db2.gz CCGTVVHOGKDQTC-RYQLBKOJSA-N 1 3 331.460 1.252 20 0 EDADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832467 709698658 /nfs/dbraw/zinc/69/86/58/709698658.db2.gz CCGTVVHOGKDQTC-RYQLBKOJSA-N 1 3 331.460 1.252 20 0 EDADHO Cn1cc(CCN2CCCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001034491389 710111908 /nfs/dbraw/zinc/11/19/08/710111908.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 1 3 347.507 1.275 20 0 EDADHO Cn1cc(CCN2CCCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cn1 ZINC001034491389 710111909 /nfs/dbraw/zinc/11/19/09/710111909.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 1 3 347.507 1.275 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172555 /nfs/dbraw/zinc/17/25/55/710172555.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 1 3 345.487 1.601 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCCN(Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172557 /nfs/dbraw/zinc/17/25/57/710172557.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 1 3 345.487 1.601 20 0 EDADHO CC(C)CC[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003331270 710255574 /nfs/dbraw/zinc/25/55/74/710255574.db2.gz GFIBYPNZBDQRTO-URSIVYNOSA-N 1 3 335.492 1.476 20 0 EDADHO CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1)C(N)=O ZINC001034646860 710323406 /nfs/dbraw/zinc/32/34/06/710323406.db2.gz YJJGQEMXGIECQG-VGWMRTNUSA-N 1 3 338.496 1.140 20 0 EDADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC001034734477 710916211 /nfs/dbraw/zinc/91/62/11/710916211.db2.gz PFNYHURVGOUDTP-JYJNAYRXSA-N 1 3 333.480 1.279 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)nn1C ZINC001034734559 710916698 /nfs/dbraw/zinc/91/66/98/710916698.db2.gz RGDCCJZXDFNIIN-XIRDDKMYSA-N 1 3 347.507 1.587 20 0 EDADHO CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034736271 710923566 /nfs/dbraw/zinc/92/35/66/710923566.db2.gz VLTDSXFQNAMBPH-BZUAXINKSA-N 1 3 348.495 1.299 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792049 711118131 /nfs/dbraw/zinc/11/81/31/711118131.db2.gz CUVRZRWNNLBOKA-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792049 711118133 /nfs/dbraw/zinc/11/81/33/711118133.db2.gz CUVRZRWNNLBOKA-JYJNAYRXSA-N 1 3 331.464 1.254 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(N)=O)cs1)C2 ZINC000922387404 711426720 /nfs/dbraw/zinc/42/67/20/711426720.db2.gz KOLLMKBIZMNFNA-AIANPOQGSA-N 1 3 337.489 1.416 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cc(C(N)=O)cs1)C2 ZINC000922387404 711426723 /nfs/dbraw/zinc/42/67/23/711426723.db2.gz KOLLMKBIZMNFNA-AIANPOQGSA-N 1 3 337.489 1.416 20 0 EDADHO CC(C)c1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000050798026 214071188 /nfs/dbraw/zinc/07/11/88/214071188.db2.gz ALBORNDXGGEZJI-UHFFFAOYSA-N 1 3 333.480 1.822 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1 ZINC000378198203 282136887 /nfs/dbraw/zinc/13/68/87/282136887.db2.gz AJGLAYOXSRGOHN-KGLIPLIRSA-N 1 3 335.473 1.437 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000562809240 306310139 /nfs/dbraw/zinc/31/01/39/306310139.db2.gz HBASCXMYHOAIHM-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CCn1ccnc1CN(C(=O)[C@H](C)NC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157660 306320789 /nfs/dbraw/zinc/32/07/89/306320789.db2.gz KRPWLWQMYJLULY-GOEBONIOSA-N 1 3 345.491 1.514 20 0 EDADHO C[C@H]1CN(CCCCNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000563200802 306322946 /nfs/dbraw/zinc/32/29/46/306322946.db2.gz DMTOQDJJXPYIBV-JUVOFCAFSA-N 1 3 341.496 1.279 20 0 EDADHO [NH3+]CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000563340055 306328263 /nfs/dbraw/zinc/32/82/63/306328263.db2.gz ZDFGMAYSLDWXIB-GOSISDBHSA-N 1 3 330.476 1.881 20 0 EDADHO CC(C)CC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000563704683 306345604 /nfs/dbraw/zinc/34/56/04/306345604.db2.gz ANDCNJAJMKDARG-QGZVFWFLSA-N 1 3 327.513 1.170 20 0 EDADHO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471834698 283346872 /nfs/dbraw/zinc/34/68/72/283346872.db2.gz SVJNAAKUEIYERU-IAGOWNOFSA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000471834698 283346874 /nfs/dbraw/zinc/34/68/74/283346874.db2.gz SVJNAAKUEIYERU-IAGOWNOFSA-N 1 3 346.475 1.504 20 0 EDADHO CNC(=O)NC(=O)CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834698 283346876 /nfs/dbraw/zinc/34/68/76/283346876.db2.gz SVJNAAKUEIYERU-IAGOWNOFSA-N 1 3 346.475 1.504 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133095295 535441396 /nfs/dbraw/zinc/44/13/96/535441396.db2.gz SSDMVFBRHRNLGX-CVEARBPZSA-N 1 3 325.497 1.724 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837925 306366385 /nfs/dbraw/zinc/36/63/85/306366385.db2.gz SEXSGXYRODXWOR-POAQFYNOSA-N 1 3 327.472 1.860 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000565152260 306376182 /nfs/dbraw/zinc/37/61/82/306376182.db2.gz ZGOKIFZBCRFABF-IYBDPMFKSA-N 1 3 333.476 1.807 20 0 EDADHO COC1(C[C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)CCC1 ZINC000414184498 304104838 /nfs/dbraw/zinc/10/48/38/304104838.db2.gz FVRVFTWCTPUMCY-KRWDZBQOSA-N 1 3 339.524 1.720 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000565945041 306394963 /nfs/dbraw/zinc/39/49/63/306394963.db2.gz CCXLRLBXMUGNMK-RDBSUJKOSA-N 1 3 343.518 1.346 20 0 EDADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698240 304129451 /nfs/dbraw/zinc/12/94/51/304129451.db2.gz ITQOYVORLYPDIY-MJGOQNOKSA-N 1 3 344.503 1.785 20 0 EDADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698240 304129452 /nfs/dbraw/zinc/12/94/52/304129452.db2.gz ITQOYVORLYPDIY-MJGOQNOKSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCCC1 ZINC000414740377 304135255 /nfs/dbraw/zinc/13/52/55/304135255.db2.gz QYGBGCSUDACUPV-MRXNPFEDSA-N 1 3 332.448 1.320 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000414796296 304141720 /nfs/dbraw/zinc/14/17/20/304141720.db2.gz HJGGKKGBAIWHSY-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797333 304141763 /nfs/dbraw/zinc/14/17/63/304141763.db2.gz INKPMRODQQNYRJ-AAEUAGOBSA-N 1 3 341.839 1.430 20 0 EDADHO CCOc1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414991010 304148804 /nfs/dbraw/zinc/14/88/04/304148804.db2.gz PVJBZRUZXXMKAQ-MJGOQNOKSA-N 1 3 331.460 1.822 20 0 EDADHO Cc1cccc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136003 304162961 /nfs/dbraw/zinc/16/29/61/304162961.db2.gz GTWHVUPOXLKMGX-ROUUACIJSA-N 1 3 328.460 1.715 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195222581 139010686 /nfs/dbraw/zinc/01/06/86/139010686.db2.gz LMPQVNJDXBFWBV-HDICACEKSA-N 1 3 342.487 1.267 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415159762 304167874 /nfs/dbraw/zinc/16/78/74/304167874.db2.gz GYHXWRLYXUOHSF-UHFFFAOYSA-N 1 3 334.464 1.664 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237065963 139039709 /nfs/dbraw/zinc/03/97/09/139039709.db2.gz ZLSIGZZAJLYKCG-UHFFFAOYSA-N 1 3 342.447 1.825 20 0 EDADHO COc1cc(CNC(=O)[C@@H](N)C(C)(C)C)ccc1OCC[NH+](C)C ZINC000237130248 139041579 /nfs/dbraw/zinc/04/15/79/139041579.db2.gz ZLALKGBSCJWPRR-MRXNPFEDSA-N 1 3 337.464 1.625 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000237202692 139044232 /nfs/dbraw/zinc/04/42/32/139044232.db2.gz LVWSMAVAOGTEBO-LJQANCHMSA-N 1 3 341.455 1.813 20 0 EDADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CNCCO1 ZINC000567594301 306456218 /nfs/dbraw/zinc/45/62/18/306456218.db2.gz IISLLQJYQGRTMH-QGZVFWFLSA-N 1 3 332.448 1.070 20 0 EDADHO Cc1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)n(C2CCN(C)CC2)n1 ZINC000415252361 304179342 /nfs/dbraw/zinc/17/93/42/304179342.db2.gz ODPMOIOLDUOLNL-AWEZNQCLSA-N 1 3 336.484 1.953 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000246656696 139116634 /nfs/dbraw/zinc/11/66/34/139116634.db2.gz UDQHKTZUWKCKNN-DOTOQJQBSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000246656696 139116635 /nfs/dbraw/zinc/11/66/35/139116635.db2.gz UDQHKTZUWKCKNN-DOTOQJQBSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCN1C ZINC000248014336 139157358 /nfs/dbraw/zinc/15/73/58/139157358.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000248014336 139157359 /nfs/dbraw/zinc/15/73/59/139157359.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@@H]1C[C@H](N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CC[N@H+]1C ZINC000248014336 139157360 /nfs/dbraw/zinc/15/73/60/139157360.db2.gz LOMZUIYYXZNBNU-GSEOLPGOSA-N 1 3 331.504 1.942 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000261602465 139209761 /nfs/dbraw/zinc/20/97/61/139209761.db2.gz AKFBIYUVMYDRCG-GDBMZVCRSA-N 1 3 330.432 1.074 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261659416 139215268 /nfs/dbraw/zinc/21/52/68/139215268.db2.gz BXOXQNOOMMJDKK-CALCHBBNSA-N 1 3 335.492 1.480 20 0 EDADHO Cn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099442 139250840 /nfs/dbraw/zinc/25/08/40/139250840.db2.gz IKGKFCQQVPEVJV-SFHVURJKSA-N 1 3 331.508 1.947 20 0 EDADHO CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415946051 251036127 /nfs/dbraw/zinc/03/61/27/251036127.db2.gz MOBPVGUDDJRVRI-GOSISDBHSA-N 1 3 332.448 1.974 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262210833 139260282 /nfs/dbraw/zinc/26/02/82/139260282.db2.gz IVADBFFWJXVJDS-MRXNPFEDSA-N 1 3 347.507 1.589 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417543363 251184763 /nfs/dbraw/zinc/18/47/63/251184763.db2.gz GAEBLFJHHYITPO-HNNXBMFYSA-N 1 3 340.512 1.565 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@H]3COCCN3)cc2)CC1 ZINC000262359957 139272999 /nfs/dbraw/zinc/27/29/99/139272999.db2.gz KFLDRNBDAUGROF-SFHVURJKSA-N 1 3 346.475 1.141 20 0 EDADHO CCCN(C(=O)NC[C@@H]1CCCN1CCOC)C1CC[NH2+]CC1 ZINC000417568804 251190892 /nfs/dbraw/zinc/19/08/92/251190892.db2.gz PJHATWOYILMFTO-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000417719053 251240886 /nfs/dbraw/zinc/24/08/86/251240886.db2.gz WERDMSCPIYJCEP-WBVHZDCISA-N 1 3 334.464 1.269 20 0 EDADHO COCC1(C(=O)NCc2ccccc2OCCN(C)C)CC[NH2+]CC1 ZINC000262448373 139279718 /nfs/dbraw/zinc/27/97/18/139279718.db2.gz ZCRNOHCTJHYKNK-UHFFFAOYSA-N 1 3 349.475 1.259 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417750186 251254715 /nfs/dbraw/zinc/25/47/15/251254715.db2.gz KFDQCQMXJVGQBU-ZACQAIPSSA-N 1 3 339.528 1.077 20 0 EDADHO C[C@@H](C[NH3+])CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418476976 251373901 /nfs/dbraw/zinc/37/39/01/251373901.db2.gz UHWSCBWRSYWSTB-HRCADAONSA-N 1 3 340.512 1.502 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000418144077 251343279 /nfs/dbraw/zinc/34/32/79/251343279.db2.gz MXXROKOTSQDMHM-QYZOEREBSA-N 1 3 342.487 1.900 20 0 EDADHO CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418708800 251392163 /nfs/dbraw/zinc/39/21/63/251392163.db2.gz JKGSHTFLQUAAIB-LBPRGKRZSA-N 1 3 334.436 1.804 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418714541 251393352 /nfs/dbraw/zinc/39/33/52/251393352.db2.gz YQTLOLWHPNWAGP-INMHGKMJSA-N 1 3 340.512 1.645 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000262654218 139293402 /nfs/dbraw/zinc/29/34/02/139293402.db2.gz SXQWWVCMTKJOIE-ZWKOTPCHSA-N 1 3 344.503 1.832 20 0 EDADHO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000262659164 139293887 /nfs/dbraw/zinc/29/38/87/139293887.db2.gz WNTGEHKTXRVIKP-NVXWUHKLSA-N 1 3 344.459 1.465 20 0 EDADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000262659164 139293888 /nfs/dbraw/zinc/29/38/88/139293888.db2.gz WNTGEHKTXRVIKP-NVXWUHKLSA-N 1 3 344.459 1.465 20 0 EDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000423645278 252063750 /nfs/dbraw/zinc/06/37/50/252063750.db2.gz KSFFZGFLXFWHCL-AEFFLSMTSA-N 1 3 330.476 1.537 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909646 252020665 /nfs/dbraw/zinc/02/06/65/252020665.db2.gz GMVSTYOWBYTOEU-HKUYNNGSSA-N 1 3 344.503 1.703 20 0 EDADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@@H](O)CN3)c2)CC1 ZINC000423850557 252090362 /nfs/dbraw/zinc/09/03/62/252090362.db2.gz QXWXJIFCZCMNNS-QZTJIDSGSA-N 1 3 331.460 1.622 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc(CN)nn2)C1)[NH+]1CCCCC1 ZINC000423995707 252109807 /nfs/dbraw/zinc/10/98/07/252109807.db2.gz FFTDBQTZZYGHHO-IRXDYDNUSA-N 1 3 348.495 1.411 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055344 /nfs/dbraw/zinc/05/53/44/285055344.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055345 /nfs/dbraw/zinc/05/53/45/285055345.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN(C)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263810663 139362023 /nfs/dbraw/zinc/36/20/23/139362023.db2.gz WLVJHPYGOCANTM-UHFFFAOYSA-N 1 3 333.476 1.593 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000487884449 255038404 /nfs/dbraw/zinc/03/84/04/255038404.db2.gz VFDVJXYLHMOXJM-UHFFFAOYSA-N 1 3 334.464 1.186 20 0 EDADHO CN(C)C(C)(C)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000487884449 255038405 /nfs/dbraw/zinc/03/84/05/255038405.db2.gz VFDVJXYLHMOXJM-UHFFFAOYSA-N 1 3 334.464 1.186 20 0 EDADHO C[C@@H](CN(C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608746 255183198 /nfs/dbraw/zinc/18/31/98/255183198.db2.gz MGUWEWBBTMLPTK-HNNXBMFYSA-N 1 3 342.528 1.857 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cc(F)cc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000493145733 255193186 /nfs/dbraw/zinc/19/31/86/255193186.db2.gz GLPHIHVJYLTMLP-CGXWXWIYSA-N 1 3 348.422 1.938 20 0 EDADHO CN(C)C/C=C\C(=O)Nc1cc(F)cc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000493145733 255193187 /nfs/dbraw/zinc/19/31/87/255193187.db2.gz GLPHIHVJYLTMLP-CGXWXWIYSA-N 1 3 348.422 1.938 20 0 EDADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496387854 255390545 /nfs/dbraw/zinc/39/05/45/255390545.db2.gz QIQPNOFIVZSFFN-OAHLLOKOSA-N 1 3 341.496 1.822 20 0 EDADHO CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCCC1 ZINC000496248332 255370016 /nfs/dbraw/zinc/37/00/16/255370016.db2.gz VXUBNVBXJSSMPP-ZDUSSCGKSA-N 1 3 327.473 1.499 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861491 285278703 /nfs/dbraw/zinc/27/87/03/285278703.db2.gz QVSYZKFQTVFCLW-ZBFHGGJFSA-N 1 3 336.484 1.528 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861491 285278704 /nfs/dbraw/zinc/27/87/04/285278704.db2.gz QVSYZKFQTVFCLW-ZBFHGGJFSA-N 1 3 336.484 1.528 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118118539 221123449 /nfs/dbraw/zinc/12/34/49/221123449.db2.gz HTBSUGQXNGLLDK-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000118118539 221123451 /nfs/dbraw/zinc/12/34/51/221123451.db2.gz HTBSUGQXNGLLDK-AWEZNQCLSA-N 1 3 334.464 1.533 20 0 EDADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381303 533602483 /nfs/dbraw/zinc/60/24/83/533602483.db2.gz IAGROUHFJLQPFY-DLBZAZTESA-N 1 3 335.517 1.748 20 0 EDADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000166381303 533602491 /nfs/dbraw/zinc/60/24/91/533602491.db2.gz IAGROUHFJLQPFY-DLBZAZTESA-N 1 3 335.517 1.748 20 0 EDADHO CN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1CCN(C)CC1 ZINC000369667093 155132058 /nfs/dbraw/zinc/13/20/58/155132058.db2.gz PNIVNTSJBCNPDC-UHFFFAOYSA-N 1 3 333.480 1.535 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000271043881 140225898 /nfs/dbraw/zinc/22/58/98/140225898.db2.gz RLWDYHYKVORGFC-INIZCTEOSA-N 1 3 347.503 1.961 20 0 EDADHO C[NH+](C)C1(CNC(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000416302155 304306102 /nfs/dbraw/zinc/30/61/02/304306102.db2.gz NOLNUULAEDCXHE-UHFFFAOYSA-N 1 3 344.503 1.799 20 0 EDADHO O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333348002 141303455 /nfs/dbraw/zinc/30/34/55/141303455.db2.gz ZSIXZHOTKMAMOG-WIHIRCLASA-N 1 3 339.439 1.791 20 0 EDADHO C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@@H]1C[NH3+] ZINC000333580551 141340227 /nfs/dbraw/zinc/34/02/27/141340227.db2.gz NQWOJJGBWUHXOH-WBVHZDCISA-N 1 3 345.491 1.924 20 0 EDADHO C[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333672675 141354126 /nfs/dbraw/zinc/35/41/26/141354126.db2.gz NKPIRGZKBRLSMR-RDJZCZTQSA-N 1 3 338.496 1.128 20 0 EDADHO CCCCN(C)CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339498776 142060652 /nfs/dbraw/zinc/06/06/52/142060652.db2.gz TXZYNOHSJMVPMH-UHFFFAOYSA-N 1 3 340.512 1.260 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(F)(F)C3)CC2)CC1 ZINC000345805091 143135473 /nfs/dbraw/zinc/13/54/73/143135473.db2.gz OPDCYGAJQJJORS-UHFFFAOYSA-N 1 3 330.423 1.596 20 0 EDADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000346325509 143192170 /nfs/dbraw/zinc/19/21/70/143192170.db2.gz NZYSSKYQUUGXJL-GOSISDBHSA-N 1 3 335.492 1.576 20 0 EDADHO C[N@H+]1CC[C@@]2(CCN(C(=O)CC3(N4CCOCC4)CCCC3)C2)C1 ZINC000346325509 143192171 /nfs/dbraw/zinc/19/21/71/143192171.db2.gz NZYSSKYQUUGXJL-GOSISDBHSA-N 1 3 335.492 1.576 20 0 EDADHO Cn1c(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)nc2ccc(Cl)cc21 ZINC000347014894 143271517 /nfs/dbraw/zinc/27/15/17/143271517.db2.gz AMZNWKJHXWOHIL-GFCCVEGCSA-N 1 3 349.866 1.514 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N(C)C1 ZINC000347314413 143307225 /nfs/dbraw/zinc/30/72/25/143307225.db2.gz RCYZNEVNARIXJS-BZUAXINKSA-N 1 3 342.528 1.713 20 0 EDADHO CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC000348002954 143389951 /nfs/dbraw/zinc/38/99/51/143389951.db2.gz KRCCTVNBJYYMPM-KSZLIROESA-N 1 3 335.492 1.573 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348019443 143391893 /nfs/dbraw/zinc/39/18/93/143391893.db2.gz YKMFJLAJHNLHBV-HXUWFJFHSA-N 1 3 346.519 1.913 20 0 EDADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416787044 304349281 /nfs/dbraw/zinc/34/92/81/304349281.db2.gz NRQJUVDFLAERBW-GOSISDBHSA-N 1 3 345.491 1.028 20 0 EDADHO C[C@H](NC(=O)NC[C@H](Cc1ccccc1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000416843246 304351033 /nfs/dbraw/zinc/35/10/33/304351033.db2.gz OPEPYLKJPVDMOJ-JQHSSLGASA-N 1 3 332.492 1.847 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352639967 149098278 /nfs/dbraw/zinc/09/82/78/149098278.db2.gz JXPMXKMHSBUNRY-PKOBYXMFSA-N 1 3 347.503 1.791 20 0 EDADHO COCCN(CCN(C)C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000352639967 149098279 /nfs/dbraw/zinc/09/82/79/149098279.db2.gz JXPMXKMHSBUNRY-PKOBYXMFSA-N 1 3 347.503 1.791 20 0 EDADHO COc1ccccc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCN(C)CC1 ZINC000352778975 149163124 /nfs/dbraw/zinc/16/31/24/149163124.db2.gz MUBZFEQYAVMXPG-INIZCTEOSA-N 1 3 348.491 1.592 20 0 EDADHO COc1cc2c(cc1CNCC1(O)CC[NH+](C(C)C)CC1)OCO2 ZINC000353176670 149314327 /nfs/dbraw/zinc/31/43/27/149314327.db2.gz YFNXZDHPOYQNPT-UHFFFAOYSA-N 1 3 336.432 1.749 20 0 EDADHO C[C@@H]1NCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000416969701 304357297 /nfs/dbraw/zinc/35/72/97/304357297.db2.gz LDTNIMIIZPJBHP-GJZGRUSLSA-N 1 3 334.464 1.519 20 0 EDADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416971827 304357728 /nfs/dbraw/zinc/35/77/28/304357728.db2.gz FCLIKGHUXUWPCI-GOEBONIOSA-N 1 3 334.464 1.506 20 0 EDADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000416973650 304358587 /nfs/dbraw/zinc/35/85/87/304358587.db2.gz JLSHJHVVDGXMQY-WMLDXEAASA-N 1 3 334.464 1.424 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000416976737 304359217 /nfs/dbraw/zinc/35/92/17/304359217.db2.gz RTMOPKAWTXFDDC-MRXNPFEDSA-N 1 3 348.491 1.816 20 0 EDADHO O=C(C[NH2+][C@H](CCO)C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000355006089 150073653 /nfs/dbraw/zinc/07/36/53/150073653.db2.gz IABXSEZBMMSSCW-GOSISDBHSA-N 1 3 337.508 1.650 20 0 EDADHO C[NH2+]C[C@@H](C)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416984914 304361480 /nfs/dbraw/zinc/36/14/80/304361480.db2.gz YDVQNOOEINRJDK-MRXNPFEDSA-N 1 3 332.492 1.848 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)NCCNc2ccncc2)CC1 ZINC000356224473 150559413 /nfs/dbraw/zinc/55/94/13/150559413.db2.gz PCYKPOBMSADFRE-UHFFFAOYSA-N 1 3 333.480 1.727 20 0 EDADHO CCN1CCN(CCCCNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417046770 304366348 /nfs/dbraw/zinc/36/63/48/304366348.db2.gz PRYKQZJVTVBIMI-UHFFFAOYSA-N 1 3 339.528 1.365 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000417066901 304368865 /nfs/dbraw/zinc/36/88/65/304368865.db2.gz MGSQFJJMFOXLFY-HDICACEKSA-N 1 3 330.476 1.889 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000358092153 151267096 /nfs/dbraw/zinc/26/70/96/151267096.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000358092153 151267100 /nfs/dbraw/zinc/26/71/00/151267100.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 1 3 340.512 1.071 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417091389 304371710 /nfs/dbraw/zinc/37/17/10/304371710.db2.gz JSWYTQJSDSZFCW-KRWDZBQOSA-N 1 3 334.464 1.141 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000417091389 304371711 /nfs/dbraw/zinc/37/17/11/304371711.db2.gz JSWYTQJSDSZFCW-KRWDZBQOSA-N 1 3 334.464 1.141 20 0 EDADHO C[C@H](NC(=O)N[C@@H](Cc1ccccc1)CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000417193722 304383108 /nfs/dbraw/zinc/38/31/08/304383108.db2.gz LUQGWQZPGZWWGE-SZMVWBNQSA-N 1 3 332.492 1.847 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417193686 304383119 /nfs/dbraw/zinc/38/31/19/304383119.db2.gz LRAJLOUWLULWGK-FGTMMUONSA-N 1 3 330.476 1.695 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417194904 304383179 /nfs/dbraw/zinc/38/31/79/304383179.db2.gz NKEMMUVPICYDMP-INDMIFKZSA-N 1 3 344.503 1.928 20 0 EDADHO O[C@@H]1CN(Cc2ccccc2C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441407 153238713 /nfs/dbraw/zinc/23/87/13/153238713.db2.gz DXZQISCSQYHKIH-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO O[C@@H]1CN(Cc2ccccc2C[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441407 153238715 /nfs/dbraw/zinc/23/87/15/153238715.db2.gz DXZQISCSQYHKIH-QZTJIDSGSA-N 1 3 328.456 1.600 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000364848563 153351256 /nfs/dbraw/zinc/35/12/56/153351256.db2.gz BUZGCPYNMZBFEC-GOOCMWNKSA-N 1 3 345.443 1.380 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364879646 153358912 /nfs/dbraw/zinc/35/89/12/153358912.db2.gz SATMDFCSKFJQAW-SFHVURJKSA-N 1 3 335.448 1.544 20 0 EDADHO CCOC(=O)[C@@](C)(O)C[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000364879646 153358914 /nfs/dbraw/zinc/35/89/14/153358914.db2.gz SATMDFCSKFJQAW-SFHVURJKSA-N 1 3 335.448 1.544 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC(C)(C)O)CC2)CC1 ZINC000364899001 153364525 /nfs/dbraw/zinc/36/45/25/153364525.db2.gz VGDVIPGGNOPTCB-UHFFFAOYSA-N 1 3 326.485 1.005 20 0 EDADHO C[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367118055 154014392 /nfs/dbraw/zinc/01/43/92/154014392.db2.gz XANZPDIUFZIFFO-SJLPKXTDSA-N 1 3 336.524 1.345 20 0 EDADHO O=S1(=O)CC[C@H]([NH2+]C2CCN(c3ccnc4ccccc43)CC2)C1 ZINC000373797082 157007702 /nfs/dbraw/zinc/00/77/02/157007702.db2.gz ZGHBZZWXXRYOHC-HNNXBMFYSA-N 1 3 345.468 1.980 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285816 157226000 /nfs/dbraw/zinc/22/60/00/157226000.db2.gz DLOPGKUYCFXWFK-UONOGXRCSA-N 1 3 336.480 1.417 20 0 EDADHO CCNC(=O)NC(=O)[C@H](C)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374285816 157226002 /nfs/dbraw/zinc/22/60/02/157226002.db2.gz DLOPGKUYCFXWFK-UONOGXRCSA-N 1 3 336.480 1.417 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374298193 157230353 /nfs/dbraw/zinc/23/03/53/157230353.db2.gz UKDPNJANNAWMTD-QAPCUYQASA-N 1 3 330.476 1.243 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000374298193 157230354 /nfs/dbraw/zinc/23/03/54/157230354.db2.gz UKDPNJANNAWMTD-QAPCUYQASA-N 1 3 330.476 1.243 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC3(N4CCOCC4)CCCC3)C[C@H]21 ZINC000374609715 157343882 /nfs/dbraw/zinc/34/38/82/157343882.db2.gz GSJUEIOOOXOVRE-BRWVUGGUSA-N 1 3 335.492 1.607 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377932588 158032324 /nfs/dbraw/zinc/03/23/24/158032324.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 1 3 329.460 1.426 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377932588 158032326 /nfs/dbraw/zinc/03/23/26/158032326.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 1 3 329.460 1.426 20 0 EDADHO C[C@@H](NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422852281 287020905 /nfs/dbraw/zinc/02/09/05/287020905.db2.gz XVRBYQABFPLJDV-SJORKVTESA-N 1 3 330.476 1.313 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)NC(=O)NC1CCCCC1)CC[NH2+]CC2 ZINC000333541295 287236827 /nfs/dbraw/zinc/23/68/27/287236827.db2.gz HYWPJNWTXNFXCL-CQSZACIVSA-N 1 3 336.480 1.609 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159159980 225161833 /nfs/dbraw/zinc/16/18/33/225161833.db2.gz NRMMABPMCDDBRP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159159980 225161838 /nfs/dbraw/zinc/16/18/38/225161838.db2.gz NRMMABPMCDDBRP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000159159980 225161842 /nfs/dbraw/zinc/16/18/42/225161842.db2.gz NRMMABPMCDDBRP-SOLBZPMBSA-N 1 3 331.508 1.652 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000120397962 287360607 /nfs/dbraw/zinc/36/06/07/287360607.db2.gz XBHXEMASVKEACF-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000120397962 287360610 /nfs/dbraw/zinc/36/06/10/287360610.db2.gz XBHXEMASVKEACF-HOCLYGCPSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCCC1(C)C ZINC000665763223 452343234 /nfs/dbraw/zinc/34/32/34/452343234.db2.gz ZYMXHJUELBSPQB-YJBOKZPZSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCCC1(C)C ZINC000665763223 452343245 /nfs/dbraw/zinc/34/32/45/452343245.db2.gz ZYMXHJUELBSPQB-YJBOKZPZSA-N 1 3 342.528 1.499 20 0 EDADHO C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000275286065 268314472 /nfs/dbraw/zinc/31/44/72/268314472.db2.gz OSKHTWFTJXSRHJ-MSOLQXFVSA-N 1 3 330.476 1.854 20 0 EDADHO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(CN2CCOCC2)CC1 ZINC000191946704 275024865 /nfs/dbraw/zinc/02/48/65/275024865.db2.gz PBIGQAIYBBBRRI-IBGZPJMESA-N 1 3 343.471 1.984 20 0 EDADHO CCCN1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948870 276011692 /nfs/dbraw/zinc/01/16/92/276011692.db2.gz IHIWUOAKBDBOIX-IRXDYDNUSA-N 1 3 325.497 1.770 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC(=O)N1CCN(C)CC1 ZINC000348303532 276105493 /nfs/dbraw/zinc/10/54/93/276105493.db2.gz PPMWLIWTWKISSY-ROUUACIJSA-N 1 3 338.540 1.641 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000376256636 276338873 /nfs/dbraw/zinc/33/88/73/276338873.db2.gz GHSDXYUGDCORLK-OAHLLOKOSA-N 1 3 328.501 1.205 20 0 EDADHO COC(=O)[C@H](CC(C)C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367133261 277118900 /nfs/dbraw/zinc/11/89/00/277118900.db2.gz LBVNWIBDAIRRFI-SJORKVTESA-N 1 3 325.497 1.674 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000119591496 277393724 /nfs/dbraw/zinc/39/37/24/277393724.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000119591496 277393725 /nfs/dbraw/zinc/39/37/25/277393725.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 1 3 337.508 1.866 20 0 EDADHO CC1(C)CN(CCOCC[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000446067267 278333448 /nfs/dbraw/zinc/33/34/48/278333448.db2.gz OBZLAYHSASVSFK-HOTGVXAUSA-N 1 3 328.497 1.189 20 0 EDADHO CC1(C)CN(CCOCC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000446067267 278333449 /nfs/dbraw/zinc/33/34/49/278333449.db2.gz OBZLAYHSASVSFK-HOTGVXAUSA-N 1 3 328.497 1.189 20 0 EDADHO CC[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000497028035 288048179 /nfs/dbraw/zinc/04/81/79/288048179.db2.gz LPOAOIDSHHIAFP-KKUMJFAQSA-N 1 3 329.485 1.677 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(CC(F)F)c1 ZINC000353499834 279329992 /nfs/dbraw/zinc/32/99/92/279329992.db2.gz DMPWGIZOZFJMBE-INIZCTEOSA-N 1 3 343.466 1.996 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnn(CC(F)F)c1 ZINC000353499834 279329994 /nfs/dbraw/zinc/32/99/94/279329994.db2.gz DMPWGIZOZFJMBE-INIZCTEOSA-N 1 3 343.466 1.996 20 0 EDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828954 279734878 /nfs/dbraw/zinc/73/48/78/279734878.db2.gz OZWIXKPHBXBSSV-LSDHHAIUSA-N 1 3 336.480 1.609 20 0 EDADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575797 280123871 /nfs/dbraw/zinc/12/38/71/280123871.db2.gz DIXNBSKJVKERCR-ZBFHGGJFSA-N 1 3 325.497 1.900 20 0 EDADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000418160163 281362065 /nfs/dbraw/zinc/36/20/65/281362065.db2.gz BAYFIIFKGGGYDY-LISAXSMJSA-N 1 3 330.476 1.847 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000289854341 288791607 /nfs/dbraw/zinc/79/16/07/288791607.db2.gz KWCPREIBDLVYBL-SFHVURJKSA-N 1 3 333.476 1.500 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)N[C@H]2CCCN(CCCO)C2)CC1 ZINC000422273035 289065274 /nfs/dbraw/zinc/06/52/74/289065274.db2.gz ZUPLQZXHIRRXIQ-PCKAHOCUSA-N 1 3 326.485 1.005 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000333705973 289186264 /nfs/dbraw/zinc/18/62/64/289186264.db2.gz SCDRALRJSQLCFN-GJZGRUSLSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000333705973 289186265 /nfs/dbraw/zinc/18/62/65/289186265.db2.gz SCDRALRJSQLCFN-GJZGRUSLSA-N 1 3 334.468 1.393 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO)c1ccccc1 ZINC000292908396 289470092 /nfs/dbraw/zinc/47/00/92/289470092.db2.gz AWWQXVIPRKBZFH-IEBWSBKVSA-N 1 3 347.503 1.792 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423321551 289571576 /nfs/dbraw/zinc/57/15/76/289571576.db2.gz GKMYIHWAPAIXQG-HUUCEWRRSA-N 1 3 333.480 1.491 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422773563 295040238 /nfs/dbraw/zinc/04/02/38/295040238.db2.gz YRHSLHFFJVSDMN-DOTOQJQBSA-N 1 3 333.476 1.779 20 0 EDADHO COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCC[C@H]1CN)CC2 ZINC000422773563 295040239 /nfs/dbraw/zinc/04/02/39/295040239.db2.gz YRHSLHFFJVSDMN-DOTOQJQBSA-N 1 3 333.476 1.779 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000418862790 304541093 /nfs/dbraw/zinc/54/10/93/304541093.db2.gz OPFTVYVEOOQJOG-GOEBONIOSA-N 1 3 334.464 1.039 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423321549 298576376 /nfs/dbraw/zinc/57/63/76/298576376.db2.gz GKMYIHWAPAIXQG-CABCVRRESA-N 1 3 333.480 1.491 20 0 EDADHO C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000496509932 298673908 /nfs/dbraw/zinc/67/39/08/298673908.db2.gz AMHRQWMVYGVKIO-CQSZACIVSA-N 1 3 341.500 1.745 20 0 EDADHO C[C@H]1C[NH+](CC2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000166429725 300252396 /nfs/dbraw/zinc/25/23/96/300252396.db2.gz NCHAYNRLTPYWFD-OFQRWUPVSA-N 1 3 325.497 1.708 20 0 EDADHO C[C@@H]([NH3+])C1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000420291753 304743442 /nfs/dbraw/zinc/74/34/42/304743442.db2.gz KRMLGZQEHUNAIY-QAPCUYQASA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000419654763 447323532 /nfs/dbraw/zinc/32/35/32/447323532.db2.gz SETDHIRARAHLKP-CJNGLKHVSA-N 1 3 346.475 1.086 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000294191103 303075335 /nfs/dbraw/zinc/07/53/35/303075335.db2.gz KNXJEPGNHKOBAX-UHFFFAOYSA-N 1 3 344.463 1.828 20 0 EDADHO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc(OCCN(C)C)c1 ZINC000296059115 303292869 /nfs/dbraw/zinc/29/28/69/303292869.db2.gz VRIJESWADPIJKC-INIZCTEOSA-N 1 3 335.492 1.734 20 0 EDADHO CCOC(=O)c1cc(CN(C)CCCN(C)CC[NH+](C)C)[nH]c1C ZINC000296079565 303294378 /nfs/dbraw/zinc/29/43/78/303294378.db2.gz QJCRHVBCDIWOOW-UHFFFAOYSA-N 1 3 338.496 1.815 20 0 EDADHO C[C@H](C[NH3+])CNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414871622 447336380 /nfs/dbraw/zinc/33/63/80/447336380.db2.gz DPRQLSDSHGDHEN-CQSZACIVSA-N 1 3 341.883 1.735 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506863 303859219 /nfs/dbraw/zinc/85/92/19/303859219.db2.gz KFVPCERAJBGILP-LSDHHAIUSA-N 1 3 341.496 1.678 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414884103 447343517 /nfs/dbraw/zinc/34/35/17/447343517.db2.gz UPBUUVKIRCHZOE-KRWDZBQOSA-N 1 3 344.459 1.261 20 0 EDADHO CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422966347 304881644 /nfs/dbraw/zinc/88/16/44/304881644.db2.gz RBPMGMKYMUFFRN-GOEBONIOSA-N 1 3 331.526 1.544 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423755076 304908673 /nfs/dbraw/zinc/90/86/73/304908673.db2.gz DBYQCHMJUQQIQR-INIZCTEOSA-N 1 3 339.480 1.811 20 0 EDADHO C[C@@H]1CN(CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000426650995 304982676 /nfs/dbraw/zinc/98/26/76/304982676.db2.gz IUQDBBNGHCYJKL-HZPDHXFCSA-N 1 3 337.508 1.866 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000428930551 305020249 /nfs/dbraw/zinc/02/02/49/305020249.db2.gz MVNPZDGEGGLILF-KRWDZBQOSA-N 1 3 340.537 1.597 20 0 EDADHO C[C@H]1C[C@H]1N1CC[N@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022235 /nfs/dbraw/zinc/02/22/35/305022235.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 1 3 339.524 1.119 20 0 EDADHO C[C@H]1C[C@H]1N1CC[N@@H+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022236 /nfs/dbraw/zinc/02/22/36/305022236.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 1 3 339.524 1.119 20 0 EDADHO CCN1CCN([C@@H]2CC[N@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035136 /nfs/dbraw/zinc/03/51/36/305035136.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO CCN1CCN([C@@H]2CC[N@@H+](CCN(C)Cc3ccccc3)C2)CC1 ZINC000429688192 305035137 /nfs/dbraw/zinc/03/51/37/305035137.db2.gz ZBXZRQBDNGJRMP-HXUWFJFHSA-N 1 3 330.520 1.830 20 0 EDADHO Cc1cccc(N2CCN(C(=O)CN3CCC([C@@H](C)[NH3+])CC3)CC2)c1 ZINC000430953665 305070474 /nfs/dbraw/zinc/07/04/74/305070474.db2.gz UODNNUMPYCBHKX-QGZVFWFLSA-N 1 3 344.503 1.703 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000433159799 305102192 /nfs/dbraw/zinc/10/21/92/305102192.db2.gz FVBCBEVVPBAYIV-GOSISDBHSA-N 1 3 333.476 1.490 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NCCCN2CCCO[C@@H](C)C2)CC1 ZINC000433279022 305104653 /nfs/dbraw/zinc/10/46/53/305104653.db2.gz NQYXNIINDNUJAP-INIZCTEOSA-N 1 3 340.512 1.659 20 0 EDADHO CCC[C@@]1(COC)CCCN1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390806 305279760 /nfs/dbraw/zinc/27/97/60/305279760.db2.gz HLZFGMQVKCXFMP-SFHVURJKSA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CCN(C2CC2)C1 ZINC000452170796 305385763 /nfs/dbraw/zinc/38/57/63/305385763.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 1 3 335.492 1.573 20 0 EDADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CCN(C2CC2)C1 ZINC000452170796 305385764 /nfs/dbraw/zinc/38/57/64/305385764.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 1 3 335.492 1.573 20 0 EDADHO COc1ccc(OC)c(/C=C/C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000492804360 305603237 /nfs/dbraw/zinc/60/32/37/305603237.db2.gz HNGWGEUAAASJLR-JXMROGBWSA-N 1 3 349.475 1.669 20 0 EDADHO CC[C@H]1CCCC[C@H]1OCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000545954809 306088302 /nfs/dbraw/zinc/08/83/02/306088302.db2.gz SLNWTXPLSIWHCP-DLBZAZTESA-N 1 3 327.513 1.924 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297987 306098120 /nfs/dbraw/zinc/09/81/20/306098120.db2.gz MQBGDPJHYXQXKM-IBGZPJMESA-N 1 3 346.475 1.148 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000550722020 306153895 /nfs/dbraw/zinc/15/38/95/306153895.db2.gz XYOIDFTUTZLTKC-UHFFFAOYSA-N 1 3 346.475 1.482 20 0 EDADHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414949512 447371252 /nfs/dbraw/zinc/37/12/52/447371252.db2.gz ZTLZLQUHEDMHDO-DVOMOZLQSA-N 1 3 332.448 1.490 20 0 EDADHO CC(C)N1CCN([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000378025095 447397050 /nfs/dbraw/zinc/39/70/50/447397050.db2.gz LGYDTBWHPWMCHN-KRWDZBQOSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426390197 447433068 /nfs/dbraw/zinc/43/30/68/447433068.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000426390197 447433074 /nfs/dbraw/zinc/43/30/74/447433074.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 1 3 334.508 1.242 20 0 EDADHO C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCCC1 ZINC000458655262 447439867 /nfs/dbraw/zinc/43/98/67/447439867.db2.gz LLXROGIDIRZWGE-INIZCTEOSA-N 1 3 340.512 1.254 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000073427128 441316123 /nfs/dbraw/zinc/31/61/23/441316123.db2.gz VLJJSLZJNHFNPM-GOSISDBHSA-N 1 3 333.476 1.931 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cccc1 ZINC000084457152 441402378 /nfs/dbraw/zinc/40/23/78/441402378.db2.gz ZDUMXRHCKXSBBS-QGZVFWFLSA-N 1 3 335.496 1.546 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cccc1 ZINC000084457152 441402383 /nfs/dbraw/zinc/40/23/83/441402383.db2.gz ZDUMXRHCKXSBBS-QGZVFWFLSA-N 1 3 335.496 1.546 20 0 EDADHO CO[C@]1(C)C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1(C)C ZINC000074943052 441481512 /nfs/dbraw/zinc/48/15/12/441481512.db2.gz CGHDVNYNOAJCGI-RHSMWYFYSA-N 1 3 328.501 1.325 20 0 EDADHO CN1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173380358 441729970 /nfs/dbraw/zinc/72/99/70/441729970.db2.gz UDVCBHSTBVRPNX-UHFFFAOYSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)NCC2(O)CCN(C)CC2)([NH+](C)C)C1 ZINC000077785662 441861043 /nfs/dbraw/zinc/86/10/43/441861043.db2.gz NFZKHHFYXCRCKV-NVXWUHKLSA-N 1 3 340.512 1.253 20 0 EDADHO CN1CCC(O)(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000077756416 441848325 /nfs/dbraw/zinc/84/83/25/441848325.db2.gz CDCGREOQSSFAGR-UHFFFAOYSA-N 1 3 348.491 1.264 20 0 EDADHO CN1CCC(O)(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000077756416 441848330 /nfs/dbraw/zinc/84/83/30/441848330.db2.gz CDCGREOQSSFAGR-UHFFFAOYSA-N 1 3 348.491 1.264 20 0 EDADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccccc1N(C)C ZINC000093944689 441901341 /nfs/dbraw/zinc/90/13/41/441901341.db2.gz XFDDHFJPGDOZAJ-CVEARBPZSA-N 1 3 332.492 1.991 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093809092 441895946 /nfs/dbraw/zinc/89/59/46/441895946.db2.gz WELRWFGZHLWXEN-QGZVFWFLSA-N 1 3 344.503 1.916 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093809092 441895950 /nfs/dbraw/zinc/89/59/50/441895950.db2.gz WELRWFGZHLWXEN-QGZVFWFLSA-N 1 3 344.503 1.916 20 0 EDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000151000828 441989517 /nfs/dbraw/zinc/98/95/17/441989517.db2.gz LALGFTDTAJQDLV-HNNXBMFYSA-N 1 3 343.479 1.339 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000175863178 442136350 /nfs/dbraw/zinc/13/63/50/442136350.db2.gz QBLSNMSXYSMYMN-UHFFFAOYSA-N 1 3 344.503 1.900 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176046480 442166909 /nfs/dbraw/zinc/16/69/09/442166909.db2.gz WADWKSCEHCGRPO-HNNXBMFYSA-N 1 3 348.491 1.842 20 0 EDADHO COCCCN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176097976 442175490 /nfs/dbraw/zinc/17/54/90/442175490.db2.gz RDZRQPAKCRCCIW-IAGOWNOFSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCNS(C)(=O)=O)CC2)C1 ZINC000121205325 442191253 /nfs/dbraw/zinc/19/12/53/442191253.db2.gz PIVWETUNDPEODI-ZBFHGGJFSA-N 1 3 331.526 1.558 20 0 EDADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205325 442191259 /nfs/dbraw/zinc/19/12/59/442191259.db2.gz PIVWETUNDPEODI-ZBFHGGJFSA-N 1 3 331.526 1.558 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCOC(C)(C)C3)CC2)CC1 ZINC000127489368 442207109 /nfs/dbraw/zinc/20/71/09/442207109.db2.gz XDGAHLQGORIBSG-UHFFFAOYSA-N 1 3 338.496 1.365 20 0 EDADHO COc1ccccc1[C@@H](C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168915107 442225590 /nfs/dbraw/zinc/22/55/90/442225590.db2.gz DMVBBGGJPXBZCH-QGZVFWFLSA-N 1 3 335.492 1.736 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000129830027 442333443 /nfs/dbraw/zinc/33/34/43/442333443.db2.gz KTPIEASYPVALRQ-AWEZNQCLSA-N 1 3 348.509 1.017 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000129830027 442333445 /nfs/dbraw/zinc/33/34/45/442333445.db2.gz KTPIEASYPVALRQ-AWEZNQCLSA-N 1 3 348.509 1.017 20 0 EDADHO CC[NH+]1CCN(c2ccccc2CN2CCC[C@H](NC(C)=O)C2)CC1 ZINC000153909256 442310679 /nfs/dbraw/zinc/31/06/79/442310679.db2.gz MJQXPWIRZFQJES-IBGZPJMESA-N 1 3 344.503 1.929 20 0 EDADHO C[C@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221093 442315438 /nfs/dbraw/zinc/31/54/38/442315438.db2.gz NGZGEEOETQHASF-HOTGVXAUSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@H]1C[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C[N@H+]1C1CC1 ZINC000177221093 442315440 /nfs/dbraw/zinc/31/54/40/442315440.db2.gz NGZGEEOETQHASF-HOTGVXAUSA-N 1 3 335.492 1.763 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000186102334 442463800 /nfs/dbraw/zinc/46/38/00/442463800.db2.gz XLCVRVKQOKTSMQ-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000186332253 442513942 /nfs/dbraw/zinc/51/39/42/442513942.db2.gz QJYZIDHMXLEKPB-UHFFFAOYSA-N 1 3 342.487 1.543 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000186707793 442596991 /nfs/dbraw/zinc/59/69/91/442596991.db2.gz KUQVOYHBXXOPPX-CRAIPNDOSA-N 1 3 325.497 1.900 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186711384 442598364 /nfs/dbraw/zinc/59/83/64/442598364.db2.gz XTWNBXPCTHFXJO-VQIMIIECSA-N 1 3 344.503 1.945 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1(C)C ZINC000188225769 442726539 /nfs/dbraw/zinc/72/65/39/442726539.db2.gz AUFZCSSZAJXTTR-FRQCXROJSA-N 1 3 337.508 1.996 20 0 EDADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182270339 442751952 /nfs/dbraw/zinc/75/19/52/442751952.db2.gz BPBHNYWFHBEXDM-APWZRJJASA-N 1 3 347.503 1.990 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000182299658 442754709 /nfs/dbraw/zinc/75/47/09/442754709.db2.gz MTNMFNBACJSNJV-GOSISDBHSA-N 1 3 348.491 1.394 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)[C@]2(N)C[C@@H](OCC)C2(C)C)CC1 ZINC000188117001 442713561 /nfs/dbraw/zinc/71/35/61/442713561.db2.gz UQNWLVFRBAGIAR-CRAIPNDOSA-N 1 3 325.497 1.757 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000183224846 442906870 /nfs/dbraw/zinc/90/68/70/442906870.db2.gz NJQJIUVMVNEGGU-HOTGVXAUSA-N 1 3 334.464 1.625 20 0 EDADHO CC[NH+](CC)CCCC1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000184101007 442992433 /nfs/dbraw/zinc/99/24/33/442992433.db2.gz SJEWUNJUCYNSDR-AWEZNQCLSA-N 1 3 332.510 1.780 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000184962855 443107807 /nfs/dbraw/zinc/10/78/07/443107807.db2.gz MMJBRDLWLHZFJL-ROUUACIJSA-N 1 3 332.492 1.432 20 0 EDADHO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000268867866 443131154 /nfs/dbraw/zinc/13/11/54/443131154.db2.gz FSWCOBKRRJHRKY-AEFFLSMTSA-N 1 3 335.492 1.998 20 0 EDADHO C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000237234897 443165463 /nfs/dbraw/zinc/16/54/63/443165463.db2.gz ZADSISNERBWREM-QGZVFWFLSA-N 1 3 346.475 1.791 20 0 EDADHO C[NH+](C)CCNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190839651 443193158 /nfs/dbraw/zinc/19/31/58/443193158.db2.gz OHLFWQVPOOVSKI-QGZVFWFLSA-N 1 3 334.464 1.138 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000237162855 443162078 /nfs/dbraw/zinc/16/20/78/443162078.db2.gz KQLNRJKWNUSCEF-LJQANCHMSA-N 1 3 344.503 1.263 20 0 EDADHO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000237162855 443162081 /nfs/dbraw/zinc/16/20/81/443162081.db2.gz KQLNRJKWNUSCEF-LJQANCHMSA-N 1 3 344.503 1.263 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185663445 443234824 /nfs/dbraw/zinc/23/48/24/443234824.db2.gz XZZLGYACILAFAI-INIZCTEOSA-N 1 3 340.512 1.518 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000269229469 443241659 /nfs/dbraw/zinc/24/16/59/443241659.db2.gz HMRGKFHPERTOBA-LSDHHAIUSA-N 1 3 325.478 1.626 20 0 EDADHO Cc1nn(C)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000382156841 319123556 /nfs/dbraw/zinc/12/35/56/319123556.db2.gz BOXQJODSEAWCPW-TXEJJXNPSA-N 1 3 327.270 1.922 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN(CCOC)[C@@H]2CCC[C@H]2C)CC1 ZINC000411628654 319191029 /nfs/dbraw/zinc/19/10/29/319191029.db2.gz WZEZBJOIEFXGOD-NVXWUHKLSA-N 1 3 325.497 1.724 20 0 EDADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321131 319324568 /nfs/dbraw/zinc/32/45/68/319324568.db2.gz DNOYMDGFNKYHMT-LJQANCHMSA-N 1 3 345.487 1.899 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671881 319339328 /nfs/dbraw/zinc/33/93/28/319339328.db2.gz GWUBIFZDIQJVIY-RDJZCZTQSA-N 1 3 333.501 1.974 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671881 319339329 /nfs/dbraw/zinc/33/93/29/319339329.db2.gz GWUBIFZDIQJVIY-RDJZCZTQSA-N 1 3 333.501 1.974 20 0 EDADHO C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681046 319341427 /nfs/dbraw/zinc/34/14/27/319341427.db2.gz OCEOROJBGIAUSV-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681046 319341425 /nfs/dbraw/zinc/34/14/25/319341425.db2.gz OCEOROJBGIAUSV-AWEZNQCLSA-N 1 3 339.867 1.848 20 0 EDADHO Cc1ccccc1N1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414682444 319341691 /nfs/dbraw/zinc/34/16/91/319341691.db2.gz RGDKKVHKLQCGOT-QGZVFWFLSA-N 1 3 330.476 1.314 20 0 EDADHO COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693485 319343472 /nfs/dbraw/zinc/34/34/72/319343472.db2.gz RTHSJWAMENMQKB-AEFFLSMTSA-N 1 3 345.487 1.899 20 0 EDADHO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693485 319343474 /nfs/dbraw/zinc/34/34/74/319343474.db2.gz RTHSJWAMENMQKB-AEFFLSMTSA-N 1 3 345.487 1.899 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1CN(C)C ZINC000415824324 319374958 /nfs/dbraw/zinc/37/49/58/319374958.db2.gz UXKCMDUWKLQFFB-KRWDZBQOSA-N 1 3 346.475 1.629 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416854710 319467697 /nfs/dbraw/zinc/46/76/97/319467697.db2.gz VEQWCGBENXQUJE-BZSNNMDCSA-N 1 3 332.492 1.976 20 0 EDADHO CN1CCN(CC[NH2+]Cc2cncc(Br)c2)CC1(C)C ZINC000282379858 443321970 /nfs/dbraw/zinc/32/19/70/443321970.db2.gz OIDSAKQIEBUOPX-UHFFFAOYSA-N 1 3 341.297 1.960 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccccc1OCCN(C)C ZINC000417370166 319495111 /nfs/dbraw/zinc/49/51/11/319495111.db2.gz TVXJEXDHLDFXLJ-GOEBONIOSA-N 1 3 334.464 1.567 20 0 EDADHO CC[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559161 443348127 /nfs/dbraw/zinc/34/81/27/443348127.db2.gz QFBYFXPRIUUABV-RTBURBONSA-N 1 3 347.503 1.642 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650325 443396473 /nfs/dbraw/zinc/39/64/73/443396473.db2.gz FFZZGFPHRQZSBH-CZUORRHYSA-N 1 3 332.448 1.235 20 0 EDADHO C[C@@H]([NH3+])C[C@H](C)NCCNC(=O)c1cccc(Br)c1 ZINC000422956010 319742187 /nfs/dbraw/zinc/74/21/87/319742187.db2.gz ODJZJNUOETXJCZ-MNOVXSKESA-N 1 3 328.254 1.894 20 0 EDADHO C[NH+]1CCC(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000273137065 443547595 /nfs/dbraw/zinc/54/75/95/443547595.db2.gz SSFBYKMTQQGDKK-SFHVURJKSA-N 1 3 331.460 1.211 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]1 ZINC000444268221 320123731 /nfs/dbraw/zinc/12/37/31/320123731.db2.gz IQZHVGBFBHMFBU-MRXNPFEDSA-N 1 3 337.851 1.661 20 0 EDADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCCN(CCCO)C1 ZINC000458841966 320342836 /nfs/dbraw/zinc/34/28/36/320342836.db2.gz GINIFIDONUWJOI-KRWDZBQOSA-N 1 3 340.512 1.399 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCc2cn[nH]c2)CC1 ZINC000459378842 320347566 /nfs/dbraw/zinc/34/75/66/320347566.db2.gz RLQXPLAZXKIMDP-UHFFFAOYSA-N 1 3 347.507 1.656 20 0 EDADHO CN(C)C/C=C/C(=O)Nc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492986394 320392231 /nfs/dbraw/zinc/39/22/31/320392231.db2.gz QSHRBNYXXFKPGW-NAKBGQTNSA-N 1 3 330.432 1.799 20 0 EDADHO CN(C)C/C=C\C(=O)Nc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000492986394 320392232 /nfs/dbraw/zinc/39/22/32/320392232.db2.gz QSHRBNYXXFKPGW-NAKBGQTNSA-N 1 3 330.432 1.799 20 0 EDADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2n[nH]cc21 ZINC000527381615 320508499 /nfs/dbraw/zinc/50/84/99/320508499.db2.gz LZVNDMKBRONDRF-UHFFFAOYSA-N 1 3 332.452 1.828 20 0 EDADHO O[C@H](C[NH2+]C1CCN(CCc2ccccc2)CC1)CN1CCCC1 ZINC000298394507 443760674 /nfs/dbraw/zinc/76/06/74/443760674.db2.gz HLYYZXXZQCHWBG-HXUWFJFHSA-N 1 3 331.504 1.740 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277164188 443924300 /nfs/dbraw/zinc/92/43/00/443924300.db2.gz KICGCUVDYSGJCY-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277164188 443924304 /nfs/dbraw/zinc/92/43/04/443924304.db2.gz KICGCUVDYSGJCY-ROUUACIJSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186272 321035494 /nfs/dbraw/zinc/03/54/94/321035494.db2.gz QGDUHFSKGAJYDM-NXHRZFHOSA-N 1 3 346.475 1.266 20 0 EDADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000562293964 321050124 /nfs/dbraw/zinc/05/01/24/321050124.db2.gz PSIQMNKFYIXPBY-QZTJIDSGSA-N 1 3 330.476 1.846 20 0 EDADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395805 321108357 /nfs/dbraw/zinc/10/83/57/321108357.db2.gz CEOCXWQCIITPHH-DNVCBOLYSA-N 1 3 335.492 1.214 20 0 EDADHO O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000563395805 321108358 /nfs/dbraw/zinc/10/83/58/321108358.db2.gz CEOCXWQCIITPHH-DNVCBOLYSA-N 1 3 335.492 1.214 20 0 EDADHO CCOCC[C@H](O)C[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000564853818 321151434 /nfs/dbraw/zinc/15/14/34/321151434.db2.gz GXCGSCZSTKMNNL-KRWDZBQOSA-N 1 3 327.513 1.314 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567476959 321243393 /nfs/dbraw/zinc/24/33/93/321243393.db2.gz SAWVJMYOKCARJB-SJORKVTESA-N 1 3 346.475 1.378 20 0 EDADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@]1(O)CN2CCC1CC2 ZINC000568411875 321291238 /nfs/dbraw/zinc/29/12/38/321291238.db2.gz FEDSYHXMQPPBDF-FQEVSTJZSA-N 1 3 343.471 1.008 20 0 EDADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@]1(O)CN2CCC1CC2 ZINC000568411875 321291239 /nfs/dbraw/zinc/29/12/39/321291239.db2.gz FEDSYHXMQPPBDF-FQEVSTJZSA-N 1 3 343.471 1.008 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000568996884 321313857 /nfs/dbraw/zinc/31/38/57/321313857.db2.gz FXFAAXHOLDSMIC-UHFFFAOYSA-N 1 3 333.480 1.098 20 0 EDADHO COc1cccc([C@@H]2C[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000570141256 321339008 /nfs/dbraw/zinc/33/90/08/321339008.db2.gz AYMFXVVMRCTNAA-ZWKOTPCHSA-N 1 3 348.491 1.686 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000570543430 321346786 /nfs/dbraw/zinc/34/67/86/321346786.db2.gz HLPIQVKTNMLTIZ-QGZVFWFLSA-N 1 3 347.463 1.020 20 0 EDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708585 321354853 /nfs/dbraw/zinc/35/48/53/321354853.db2.gz BOGZAYCRLVZVGS-BZSNNMDCSA-N 1 3 339.524 1.611 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000570936141 321364642 /nfs/dbraw/zinc/36/46/42/321364642.db2.gz RDIQIVZPPPAGKG-MRXNPFEDSA-N 1 3 346.475 1.664 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000570942592 321365528 /nfs/dbraw/zinc/36/55/28/321365528.db2.gz KYPOCAOYINSBEF-RBUKOAKNSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000572014050 321410798 /nfs/dbraw/zinc/41/07/98/321410798.db2.gz MMFKRJJNGFSYIR-RHSMWYFYSA-N 1 3 331.464 1.595 20 0 EDADHO C[C@@H](C(=O)Nc1cccc(F)c1)N(C)CCCN(C)CC[NH+](C)C ZINC000289475057 444154059 /nfs/dbraw/zinc/15/40/59/444154059.db2.gz RIQREYLWXLQHPT-HNNXBMFYSA-N 1 3 338.471 1.968 20 0 EDADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCN1CCNC1=O ZINC000289882975 444215087 /nfs/dbraw/zinc/21/50/87/444215087.db2.gz MGCOCPPSEKOESX-HZPDHXFCSA-N 1 3 330.476 1.758 20 0 EDADHO CN(CCCN(C)Cc1cc(=O)n2ccsc2n1)CC[NH+](C)C ZINC000289595256 444178613 /nfs/dbraw/zinc/17/86/13/444178613.db2.gz ZXKONYLLYMRPRJ-UHFFFAOYSA-N 1 3 337.493 1.071 20 0 EDADHO C[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C(=O)NCCN1CCCCC1 ZINC000575921430 321534775 /nfs/dbraw/zinc/53/47/75/321534775.db2.gz ZUILBUIMXHSCJH-OAGGEKHMSA-N 1 3 338.496 1.001 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000305192553 444264151 /nfs/dbraw/zinc/26/41/51/444264151.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 1 3 345.487 1.396 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000305192553 444264153 /nfs/dbraw/zinc/26/41/53/444264153.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 1 3 345.487 1.396 20 0 EDADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000303984226 444238950 /nfs/dbraw/zinc/23/89/50/444238950.db2.gz HPGGTJUKOBKUDA-IRXDYDNUSA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[C@H](CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000323320937 444342598 /nfs/dbraw/zinc/34/25/98/444342598.db2.gz TXQCZFGEUSXCMU-BASYENTBSA-N 1 3 325.497 1.611 20 0 EDADHO CN(C)C1(CNC(=O)N2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000579097897 321881991 /nfs/dbraw/zinc/88/19/91/321881991.db2.gz JVIWBSCGGSDFNV-KRWDZBQOSA-N 1 3 330.476 1.608 20 0 EDADHO CSC1(CNC(=O)c2ccn(CCN(C)C)n2)CC[NH+](C)CC1 ZINC000579373868 321928940 /nfs/dbraw/zinc/92/89/40/321928940.db2.gz BSSMBNVIUGTSRS-UHFFFAOYSA-N 1 3 339.509 1.002 20 0 EDADHO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000328994567 444437677 /nfs/dbraw/zinc/43/76/77/444437677.db2.gz UDFROQSPWPZATL-TXPKVOOTSA-N 1 3 348.491 1.588 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000579702483 321962912 /nfs/dbraw/zinc/96/29/12/321962912.db2.gz WCQFMADHWOMPQS-INIZCTEOSA-N 1 3 339.455 1.181 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+]CC3(O)CCC3)c2)C1 ZINC000581007381 322123319 /nfs/dbraw/zinc/12/33/19/322123319.db2.gz NSYJZJKGHJWQNG-KRWDZBQOSA-N 1 3 331.460 1.389 20 0 EDADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCC3(O)CCC3)c2)C1 ZINC000581007381 322123321 /nfs/dbraw/zinc/12/33/21/322123321.db2.gz NSYJZJKGHJWQNG-KRWDZBQOSA-N 1 3 331.460 1.389 20 0 EDADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCC3(O)CCC3)c2)C1 ZINC000581007381 322123324 /nfs/dbraw/zinc/12/33/24/322123324.db2.gz NSYJZJKGHJWQNG-KRWDZBQOSA-N 1 3 331.460 1.389 20 0 EDADHO O=C(NC[C@H]1C[NH2+]CCCO1)N1CCCN(Cc2ccccc2)CC1 ZINC000581478579 322181935 /nfs/dbraw/zinc/18/19/35/322181935.db2.gz CMKFWOBLYXGJFH-GOSISDBHSA-N 1 3 346.475 1.282 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000332982864 444620496 /nfs/dbraw/zinc/62/04/96/444620496.db2.gz YHXQGFZCAYNGOK-GJZGRUSLSA-N 1 3 338.496 1.146 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000341027689 444640113 /nfs/dbraw/zinc/64/01/13/444640113.db2.gz YVKRZVKZAGHJPC-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO COC(=O)CCCN1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000342491442 444714245 /nfs/dbraw/zinc/71/42/45/444714245.db2.gz PIECPKWBBJZFLB-MRXNPFEDSA-N 1 3 325.497 1.726 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000333945706 444725785 /nfs/dbraw/zinc/72/57/85/444725785.db2.gz TXBMQNUVYHNFIT-IJEWVQPXSA-N 1 3 336.505 1.949 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000342452996 444697972 /nfs/dbraw/zinc/69/79/72/444697972.db2.gz XZIHATGAIREUKE-HDICACEKSA-N 1 3 339.524 1.530 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000342657417 444799933 /nfs/dbraw/zinc/79/99/33/444799933.db2.gz LPIAYUYOBAPBMP-OAGGEKHMSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+]1CCCC[C@H]1C ZINC000342657417 444799938 /nfs/dbraw/zinc/79/99/38/444799938.db2.gz LPIAYUYOBAPBMP-OAGGEKHMSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)CN(C)C ZINC000336868783 444812365 /nfs/dbraw/zinc/81/23/65/444812365.db2.gz ZEZQQDWRNYNGCV-KBPBESRZSA-N 1 3 327.494 1.785 20 0 EDADHO CCC[N@H+](CCCN1CCOCC1)CCN1CCN(CC)CC1 ZINC000344161441 444814711 /nfs/dbraw/zinc/81/47/11/444814711.db2.gz YFWPYTIXVDBXOG-UHFFFAOYSA-N 1 3 326.529 1.058 20 0 EDADHO CCC[N@@H+](CCCN1CCOCC1)CCN1CCN(CC)CC1 ZINC000344161441 444814715 /nfs/dbraw/zinc/81/47/15/444814715.db2.gz YFWPYTIXVDBXOG-UHFFFAOYSA-N 1 3 326.529 1.058 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCCN1C ZINC000341444272 444835984 /nfs/dbraw/zinc/83/59/84/444835984.db2.gz ZBSCLZOOJZJOQS-HOCLYGCPSA-N 1 3 349.479 1.304 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000344235886 444854975 /nfs/dbraw/zinc/85/49/75/444854975.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC[N@H+]1C ZINC000344235886 444854978 /nfs/dbraw/zinc/85/49/78/444854978.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 1 3 345.487 1.600 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000342711527 444827964 /nfs/dbraw/zinc/82/79/64/444827964.db2.gz MBOLCRXMFQXRQR-QGZVFWFLSA-N 1 3 330.476 1.233 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)CN2CCC(C)CC2)C1 ZINC000344473721 444998017 /nfs/dbraw/zinc/99/80/17/444998017.db2.gz GQOJBIMDTINQGX-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](O)CN2CCC(C)CC2)C1 ZINC000344473721 444998020 /nfs/dbraw/zinc/99/80/20/444998020.db2.gz GQOJBIMDTINQGX-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000337655946 445189813 /nfs/dbraw/zinc/18/98/13/445189813.db2.gz NDVLNYOYCICHNE-NVXWUHKLSA-N 1 3 342.553 1.843 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000337655946 445189816 /nfs/dbraw/zinc/18/98/16/445189816.db2.gz NDVLNYOYCICHNE-NVXWUHKLSA-N 1 3 342.553 1.843 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000345020869 445157013 /nfs/dbraw/zinc/15/70/13/445157013.db2.gz OICBGXQNDIPLRJ-GVDBMIGSSA-N 1 3 338.496 1.365 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000354678849 445337709 /nfs/dbraw/zinc/33/77/09/445337709.db2.gz WMRSNIDELPCFMW-DLBZAZTESA-N 1 3 346.475 1.184 20 0 EDADHO CSC1(CNC(=O)NCCC[NH+]2CCCC2)CCN(C)CC1 ZINC000357061271 445401372 /nfs/dbraw/zinc/40/13/72/445401372.db2.gz ZJELTNZKYRACIZ-UHFFFAOYSA-N 1 3 328.526 1.599 20 0 EDADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCOC1CNC1 ZINC000349002956 445472347 /nfs/dbraw/zinc/47/23/47/445472347.db2.gz PWFLXXIASRKMQW-HOTGVXAUSA-N 1 3 345.487 1.638 20 0 EDADHO C[C@@H](CO)CCCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362677717 445495560 /nfs/dbraw/zinc/49/55/60/445495560.db2.gz UBOFQEACSAEGDC-OAHLLOKOSA-N 1 3 340.512 1.253 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000360138172 445590541 /nfs/dbraw/zinc/59/05/41/445590541.db2.gz ZRNXKISWUYMMGD-INIZCTEOSA-N 1 3 340.512 1.469 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000360138172 445590543 /nfs/dbraw/zinc/59/05/43/445590543.db2.gz ZRNXKISWUYMMGD-INIZCTEOSA-N 1 3 340.512 1.469 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000362871270 445590500 /nfs/dbraw/zinc/59/05/00/445590500.db2.gz MCLYEBHCTZNRSE-RYQLBKOJSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362871270 445590506 /nfs/dbraw/zinc/59/05/06/445590506.db2.gz MCLYEBHCTZNRSE-RYQLBKOJSA-N 1 3 335.492 1.620 20 0 EDADHO C[C@H]1N(CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234943 445541813 /nfs/dbraw/zinc/54/18/13/445541813.db2.gz FHHGBEFRBQNPGE-OAHLLOKOSA-N 1 3 335.492 1.620 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000360164627 445605845 /nfs/dbraw/zinc/60/58/45/445605845.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000360164627 445605849 /nfs/dbraw/zinc/60/58/49/445605849.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000356085292 445611606 /nfs/dbraw/zinc/61/16/06/445611606.db2.gz FCGUDSXQNSDCAV-INIZCTEOSA-N 1 3 349.523 1.973 20 0 EDADHO CC[NH+](CC)CC1CCN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358527388 445634332 /nfs/dbraw/zinc/63/43/32/445634332.db2.gz MSOMFLGLJACMKB-ZIFCJYIRSA-N 1 3 341.540 1.510 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353414785 445593876 /nfs/dbraw/zinc/59/38/76/445593876.db2.gz LGWKUWKLNGQZFY-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353414785 445593880 /nfs/dbraw/zinc/59/38/80/445593880.db2.gz LGWKUWKLNGQZFY-DLBZAZTESA-N 1 3 325.497 1.460 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356236217 445691208 /nfs/dbraw/zinc/69/12/08/445691208.db2.gz YXTVBFVZMHOMTG-IYBDPMFKSA-N 1 3 347.507 1.971 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCNc2ccncc2)C1 ZINC000356236217 445691210 /nfs/dbraw/zinc/69/12/10/445691210.db2.gz YXTVBFVZMHOMTG-IYBDPMFKSA-N 1 3 347.507 1.971 20 0 EDADHO CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CCN(C)C1)[NH+]1CCCC1 ZINC000358658572 445698976 /nfs/dbraw/zinc/69/89/76/445698976.db2.gz FFNRSMAUYHCNRH-AEFFLSMTSA-N 1 3 340.512 1.253 20 0 EDADHO CC[C@H]1C[C@@H](C[NH2+]CC(=O)NCCN2CCCCCC2)CCO1 ZINC000353670276 445700366 /nfs/dbraw/zinc/70/03/66/445700366.db2.gz KVCLMQLXEMEPDK-IRXDYDNUSA-N 1 3 325.497 1.773 20 0 EDADHO CCO[C@H]1C[C@H](NCC(=O)NCC[NH+]2CCCCCC2)C12CCC2 ZINC000353670416 445700938 /nfs/dbraw/zinc/70/09/38/445700938.db2.gz HFNDJAGSRLWTNK-IRXDYDNUSA-N 1 3 337.508 1.916 20 0 EDADHO CC(C)OCC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000349883936 445711453 /nfs/dbraw/zinc/71/14/53/445711453.db2.gz PRZOKOMEIMDGGV-LNLFQRSKSA-N 1 3 342.524 1.984 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000349929654 445723661 /nfs/dbraw/zinc/72/36/61/445723661.db2.gz CHTOEBFRIMSTEI-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000349929654 445723665 /nfs/dbraw/zinc/72/36/65/445723665.db2.gz CHTOEBFRIMSTEI-HZPDHXFCSA-N 1 3 326.485 1.271 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000349932176 445724872 /nfs/dbraw/zinc/72/48/72/445724872.db2.gz DMMPEXIREHNLEE-KRWDZBQOSA-N 1 3 327.513 1.922 20 0 EDADHO CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(CCOC)C2)CC1 ZINC000349934717 445726334 /nfs/dbraw/zinc/72/63/34/445726334.db2.gz OPILCRKHUJMIIG-MRXNPFEDSA-N 1 3 326.485 1.128 20 0 EDADHO Cc1nccn1CCCC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363459229 445813939 /nfs/dbraw/zinc/81/39/39/445813939.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 1 3 333.524 1.931 20 0 EDADHO Cc1nccn1CCCC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363459229 445813942 /nfs/dbraw/zinc/81/39/42/445813942.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 1 3 333.524 1.931 20 0 EDADHO Cc1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)n(C2CCN(C)CC2)n1 ZINC000583131429 326007860 /nfs/dbraw/zinc/00/78/60/326007860.db2.gz IKBMJZZVFZFQOH-HNNXBMFYSA-N 1 3 348.495 1.969 20 0 EDADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)NC1CCCCC1 ZINC000359221323 446051362 /nfs/dbraw/zinc/05/13/62/446051362.db2.gz OXSHGOIAUXVLOZ-UHFFFAOYSA-N 1 3 336.524 1.443 20 0 EDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451170 326076373 /nfs/dbraw/zinc/07/63/73/326076373.db2.gz MXZGHHKLZILGEL-ZNMIVQPWSA-N 1 3 329.452 1.200 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)CC1 ZINC000583761860 326135697 /nfs/dbraw/zinc/13/56/97/326135697.db2.gz DRAUJKPAMUBGSI-LSDHHAIUSA-N 1 3 325.497 1.722 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)COc1ccccc1 ZINC000583930042 326166751 /nfs/dbraw/zinc/16/67/51/326166751.db2.gz NVKIWGKYPAMUKE-RLLQIKCJSA-N 1 3 348.487 1.784 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359353777 446168575 /nfs/dbraw/zinc/16/85/75/446168575.db2.gz SARVPEBIPBDNKT-MRXNPFEDSA-N 1 3 342.528 1.715 20 0 EDADHO CC[N@H+](CCNC(=O)N1CCC(OCCN(C)C)CC1)C(C)C ZINC000359362831 446174627 /nfs/dbraw/zinc/17/46/27/446174627.db2.gz QTJCUUNQFLKNFG-UHFFFAOYSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+](CCNC(=O)N1CCC(OCCN(C)C)CC1)C(C)C ZINC000359362831 446174631 /nfs/dbraw/zinc/17/46/31/446174631.db2.gz QTJCUUNQFLKNFG-UHFFFAOYSA-N 1 3 328.501 1.469 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359312201 446143049 /nfs/dbraw/zinc/14/30/49/446143049.db2.gz KSVJXJTVMDAZCZ-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665819 446144154 /nfs/dbraw/zinc/14/41/54/446144154.db2.gz SYJYVHZVSNTEHW-ZBFHGGJFSA-N 1 3 346.479 1.850 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665819 446144157 /nfs/dbraw/zinc/14/41/57/446144157.db2.gz SYJYVHZVSNTEHW-ZBFHGGJFSA-N 1 3 346.479 1.850 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669193 446144856 /nfs/dbraw/zinc/14/48/56/446144856.db2.gz XVVGWXBBVVOJPT-XMTFNYHQSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669193 446144866 /nfs/dbraw/zinc/14/48/66/446144866.db2.gz XVVGWXBBVVOJPT-XMTFNYHQSA-N 1 3 334.508 1.987 20 0 EDADHO CCCN1CCN(c2ccccc2CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457254 446233841 /nfs/dbraw/zinc/23/38/41/446233841.db2.gz IURMRKRUOGAQDR-OALUTQOASA-N 1 3 328.504 1.870 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)NCC2=CCN(C)CC2)CC1 ZINC000370349172 446241019 /nfs/dbraw/zinc/24/10/19/446241019.db2.gz CUSCOTXFHKAHDL-UHFFFAOYSA-N 1 3 328.460 1.985 20 0 EDADHO C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000365661346 446291700 /nfs/dbraw/zinc/29/17/00/446291700.db2.gz QNYHVOCWJCQGPD-GDBMZVCRSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC[C@H]1N1CCN(C)CC1 ZINC000365661346 446291704 /nfs/dbraw/zinc/29/17/04/446291704.db2.gz QNYHVOCWJCQGPD-GDBMZVCRSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541628 446324010 /nfs/dbraw/zinc/32/40/10/446324010.db2.gz HZNVHCHHIQYHMI-RDJZCZTQSA-N 1 3 331.460 1.870 20 0 EDADHO C[C@H]1C[C@@H](NCCC(=O)N2CCOc3ccccc3C2)CC[N@H+]1C ZINC000370541628 446324014 /nfs/dbraw/zinc/32/40/14/446324014.db2.gz HZNVHCHHIQYHMI-RDJZCZTQSA-N 1 3 331.460 1.870 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516836 446360847 /nfs/dbraw/zinc/36/08/47/446360847.db2.gz OVOSNLJKCULPKO-DLBZAZTESA-N 1 3 334.464 1.357 20 0 EDADHO CO[C@@H]1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417533468 446362626 /nfs/dbraw/zinc/36/26/26/446362626.db2.gz MSHOIHHKXZDOQH-LVQVYYBASA-N 1 3 326.485 1.397 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000417547195 446363889 /nfs/dbraw/zinc/36/38/89/446363889.db2.gz NSRHXQJKMBCQCV-KGLIPLIRSA-N 1 3 326.485 1.268 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N(C)Cc1ccccc1 ZINC000417575591 446365503 /nfs/dbraw/zinc/36/55/03/446365503.db2.gz GHOXPKLNMPWQKZ-BPQIPLTHSA-N 1 3 330.476 1.900 20 0 EDADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000370682224 446384417 /nfs/dbraw/zinc/38/44/17/446384417.db2.gz MXOIGBMRNRXOKK-OKZBNKHCSA-N 1 3 327.513 1.434 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423124182 446430539 /nfs/dbraw/zinc/43/05/39/446430539.db2.gz MFUXFTVSLIPJJA-MOPGFXCFSA-N 1 3 348.491 1.269 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417974961 446404776 /nfs/dbraw/zinc/40/47/76/446404776.db2.gz DXHSXHVEWFDJCW-NVXWUHKLSA-N 1 3 334.464 1.266 20 0 EDADHO CC1(C)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCN1 ZINC000418003008 446412101 /nfs/dbraw/zinc/41/21/01/446412101.db2.gz YLYFKCUPONNHPV-KRWDZBQOSA-N 1 3 346.475 1.147 20 0 EDADHO CC1(C)CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCN1 ZINC000418003008 446412104 /nfs/dbraw/zinc/41/21/04/446412104.db2.gz YLYFKCUPONNHPV-KRWDZBQOSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@@]1(CNC(=O)N(CC[NH3+])CCO)CCCN1Cc1ccccc1 ZINC000418047872 446424688 /nfs/dbraw/zinc/42/46/88/446424688.db2.gz UGOLRIDLMGCIQP-SFHVURJKSA-N 1 3 334.464 1.004 20 0 EDADHO c1c(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000420293710 446457008 /nfs/dbraw/zinc/45/70/08/446457008.db2.gz ADRWSGOCWWNRII-QGZVFWFLSA-N 1 3 327.476 1.842 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309159 446472070 /nfs/dbraw/zinc/47/20/70/446472070.db2.gz OJTODYCAOGZXNM-WNRNVDISSA-N 1 3 330.476 1.075 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309676 446472185 /nfs/dbraw/zinc/47/21/85/446472185.db2.gz FALDSEMPWLKSEI-MOPGFXCFSA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309676 446472186 /nfs/dbraw/zinc/47/21/86/446472186.db2.gz FALDSEMPWLKSEI-MOPGFXCFSA-N 1 3 347.503 1.924 20 0 EDADHO CNS(=O)(=O)c1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423285323 446473404 /nfs/dbraw/zinc/47/34/04/446473404.db2.gz ZCZZIFKGIJWZLW-BJJXKVORSA-N 1 3 325.478 1.763 20 0 EDADHO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000367030696 446476415 /nfs/dbraw/zinc/47/64/15/446476415.db2.gz RRNLQSJOQFCYAK-APWZRJJASA-N 1 3 344.503 1.504 20 0 EDADHO CNC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000367030696 446476423 /nfs/dbraw/zinc/47/64/23/446476423.db2.gz RRNLQSJOQFCYAK-APWZRJJASA-N 1 3 344.503 1.504 20 0 EDADHO COc1ccccc1CN(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332456 446502694 /nfs/dbraw/zinc/50/26/94/446502694.db2.gz JTKBBYRXAHBHEK-IYBDPMFKSA-N 1 3 331.460 1.585 20 0 EDADHO Cc1cccc2nc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)n12 ZINC000420335599 446506299 /nfs/dbraw/zinc/50/62/99/446506299.db2.gz KOKPBESIKWRNEF-KRWDZBQOSA-N 1 3 326.444 1.967 20 0 EDADHO CCN1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391260 446514183 /nfs/dbraw/zinc/51/41/83/446514183.db2.gz NLGOZEINZISLGO-CABCVRRESA-N 1 3 333.480 1.443 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CNCCN2C)CC1 ZINC000423518407 446559811 /nfs/dbraw/zinc/55/98/11/446559811.db2.gz OOHWRGPOPSEDFB-PXNSSMCTSA-N 1 3 330.520 1.575 20 0 EDADHO CN1CCNC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423528453 446563068 /nfs/dbraw/zinc/56/30/68/446563068.db2.gz WOVCTNWXIQMIHQ-YRPNKDGESA-N 1 3 328.504 1.675 20 0 EDADHO CN1CCNC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423528453 446563075 /nfs/dbraw/zinc/56/30/75/446563075.db2.gz WOVCTNWXIQMIHQ-YRPNKDGESA-N 1 3 328.504 1.675 20 0 EDADHO CCN1CCC(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000411482932 446563894 /nfs/dbraw/zinc/56/38/94/446563894.db2.gz BEAPLNCMFFDLBT-KRWDZBQOSA-N 1 3 325.497 1.508 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344199 446517624 /nfs/dbraw/zinc/51/76/24/446517624.db2.gz SRVCJCJHUPTGJF-JONQDZQNSA-N 1 3 336.480 1.322 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418612574 446616466 /nfs/dbraw/zinc/61/64/66/446616466.db2.gz ICJGBYBNABMKBB-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000411514137 446579179 /nfs/dbraw/zinc/57/91/79/446579179.db2.gz FOHCZLZNSMRGEQ-INIZCTEOSA-N 1 3 338.496 1.001 20 0 EDADHO O=C1N[C@H]2CN(CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406588 446580197 /nfs/dbraw/zinc/58/01/97/446580197.db2.gz RBEVEHBKTQPYFG-OALUTQOASA-N 1 3 342.487 1.839 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000418552267 446591150 /nfs/dbraw/zinc/59/11/50/446591150.db2.gz BQSYFCDKWITSIQ-RHSMWYFYSA-N 1 3 334.464 1.883 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418571970 446599982 /nfs/dbraw/zinc/59/99/82/446599982.db2.gz KCHMZUXLEGQNKE-MAUKXSAKSA-N 1 3 348.491 1.766 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418659192 446637527 /nfs/dbraw/zinc/63/75/27/446637527.db2.gz VHIIYXRRPIMNPB-KRWDZBQOSA-N 1 3 326.485 1.272 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCCN1CCCO)c1ccccc1 ZINC000418665032 446640980 /nfs/dbraw/zinc/64/09/80/446640980.db2.gz DLMTYTDSLXTMHP-QZTJIDSGSA-N 1 3 348.491 1.613 20 0 EDADHO CCOC(=O)CC1(NCC(=O)NC2CC[NH+](CC)CC2)CCCC1 ZINC000411669839 446641970 /nfs/dbraw/zinc/64/19/70/446641970.db2.gz KJUYMFFVOYUCQU-UHFFFAOYSA-N 1 3 339.480 1.443 20 0 EDADHO CO[C@@]1(C)C[C@@H](NCC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795916 446676488 /nfs/dbraw/zinc/67/64/88/446676488.db2.gz KBIYJSHXSDPVTH-QAPCUYQASA-N 1 3 325.497 1.769 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000423747600 446677086 /nfs/dbraw/zinc/67/70/86/446677086.db2.gz SRBDHQYCWOOTBD-RBUKOAKNSA-N 1 3 344.503 1.705 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000423747600 446677091 /nfs/dbraw/zinc/67/70/91/446677091.db2.gz SRBDHQYCWOOTBD-RBUKOAKNSA-N 1 3 344.503 1.705 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423724930 446660170 /nfs/dbraw/zinc/66/01/70/446660170.db2.gz ITCZOZFNHRXCDK-MRXNPFEDSA-N 1 3 341.459 1.691 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1NCCc2ccccc21 ZINC000418630746 446623907 /nfs/dbraw/zinc/62/39/07/446623907.db2.gz GCTVPPRGCUKVQP-AEFFLSMTSA-N 1 3 346.475 1.019 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@@H]1NCCc2ccccc21 ZINC000418630746 446623909 /nfs/dbraw/zinc/62/39/09/446623909.db2.gz GCTVPPRGCUKVQP-AEFFLSMTSA-N 1 3 346.475 1.019 20 0 EDADHO COCC1(CNC(=O)N(CCN(C)C)C2CCCC2)CC[NH2+]CC1 ZINC000418644386 446630271 /nfs/dbraw/zinc/63/02/71/446630271.db2.gz VGKDTLVRKWRPBP-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767229 446695099 /nfs/dbraw/zinc/69/50/99/446695099.db2.gz ABCJWHSWKOJRFI-RXQRSOPUSA-N 1 3 345.487 1.910 20 0 EDADHO CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000418835413 446740452 /nfs/dbraw/zinc/74/04/52/446740452.db2.gz NOWOABRJNPFQDY-CABCVRRESA-N 1 3 338.496 1.001 20 0 EDADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368165730 446681218 /nfs/dbraw/zinc/68/12/18/446681218.db2.gz SKUXHHUWHCNXFN-YOEHRIQHSA-N 1 3 331.476 1.672 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)COC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000423902830 446753985 /nfs/dbraw/zinc/75/39/85/446753985.db2.gz MMGXVNBSINBXCK-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1C[C@H](CCNC(=O)COC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000423902830 446753998 /nfs/dbraw/zinc/75/39/98/446753998.db2.gz MMGXVNBSINBXCK-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371304748 446759677 /nfs/dbraw/zinc/75/96/77/446759677.db2.gz KIFXZUNLKXLWSF-DOTOQJQBSA-N 1 3 338.540 1.780 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@H]2CN)CCCCCC1 ZINC000418905678 446787673 /nfs/dbraw/zinc/78/76/73/446787673.db2.gz VKCUZIVOMKBMAZ-HNNXBMFYSA-N 1 3 338.496 1.097 20 0 EDADHO CNC(=O)[C@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1c1cnn(C)c1 ZINC000375455461 446812311 /nfs/dbraw/zinc/81/23/11/446812311.db2.gz ODHVHOUIYCJIFH-SJORKVTESA-N 1 3 333.480 1.058 20 0 EDADHO CNC(=O)[C@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1c1cnn(C)c1 ZINC000375455461 446812316 /nfs/dbraw/zinc/81/23/16/446812316.db2.gz ODHVHOUIYCJIFH-SJORKVTESA-N 1 3 333.480 1.058 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000454440363 446874382 /nfs/dbraw/zinc/87/43/82/446874382.db2.gz AXJRVUZSRWBXGM-OKZBNKHCSA-N 1 3 330.476 1.943 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)N(C)C)cc1 ZINC000454440363 446874385 /nfs/dbraw/zinc/87/43/85/446874385.db2.gz AXJRVUZSRWBXGM-OKZBNKHCSA-N 1 3 330.476 1.943 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCCN1C ZINC000412254834 446912340 /nfs/dbraw/zinc/91/23/40/446912340.db2.gz YRHKHUIUCDRNPO-KBMXLJTQSA-N 1 3 325.522 1.803 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419121667 446936790 /nfs/dbraw/zinc/93/67/90/446936790.db2.gz SEVZVSOXDHKYPI-KRWDZBQOSA-N 1 3 346.475 1.039 20 0 EDADHO CCN1CCC([N@@H+]2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000420979187 446952607 /nfs/dbraw/zinc/95/26/07/446952607.db2.gz JZYKSNCMINGMEQ-MRXNPFEDSA-N 1 3 338.540 1.782 20 0 EDADHO CCN1CCC([N@H+]2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000420979187 446952611 /nfs/dbraw/zinc/95/26/11/446952611.db2.gz JZYKSNCMINGMEQ-MRXNPFEDSA-N 1 3 338.540 1.782 20 0 EDADHO CCOCc1ccccc1CNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443062251 447001955 /nfs/dbraw/zinc/00/19/55/447001955.db2.gz UBZBMDVNYOIAMH-INIZCTEOSA-N 1 3 333.476 1.900 20 0 EDADHO O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372107655 447004319 /nfs/dbraw/zinc/00/43/19/447004319.db2.gz KVBGXBYYBPUUJY-SJLPKXTDSA-N 1 3 337.508 1.604 20 0 EDADHO O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000372107655 447004322 /nfs/dbraw/zinc/00/43/22/447004322.db2.gz KVBGXBYYBPUUJY-SJLPKXTDSA-N 1 3 337.508 1.604 20 0 EDADHO [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000372105770 447004534 /nfs/dbraw/zinc/00/45/34/447004534.db2.gz QMWPYRKUUDLJSJ-QRVBRYPASA-N 1 3 345.487 1.676 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ncn1 ZINC000375804400 447065218 /nfs/dbraw/zinc/06/52/18/447065218.db2.gz HZCJTQPRQACQRE-TWMKSMIVSA-N 1 3 344.507 1.950 20 0 EDADHO CNc1cc(N2CCC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ncn1 ZINC000375804400 447065225 /nfs/dbraw/zinc/06/52/25/447065225.db2.gz HZCJTQPRQACQRE-TWMKSMIVSA-N 1 3 344.507 1.950 20 0 EDADHO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157701 /nfs/dbraw/zinc/15/77/01/447157701.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 1 3 345.491 1.858 20 0 EDADHO CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157704 /nfs/dbraw/zinc/15/77/04/447157704.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 1 3 345.491 1.858 20 0 EDADHO C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N(C)C ZINC000455422481 447126550 /nfs/dbraw/zinc/12/65/50/447126550.db2.gz ADKSGEWDPNBYQU-CWRNSKLLSA-N 1 3 326.485 1.004 20 0 EDADHO CN1CCN(CC2(C)CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)CC1 ZINC000368820727 447133783 /nfs/dbraw/zinc/13/37/83/447133783.db2.gz GCDPCUVBDGKNFQ-WOJBJXKFSA-N 1 3 343.515 1.994 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458177 447173233 /nfs/dbraw/zinc/17/32/33/447173233.db2.gz MBHPSERCOQIKPI-KRWDZBQOSA-N 1 3 338.540 1.735 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458177 447173236 /nfs/dbraw/zinc/17/32/36/447173236.db2.gz MBHPSERCOQIKPI-KRWDZBQOSA-N 1 3 338.540 1.735 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000455662883 447202899 /nfs/dbraw/zinc/20/28/99/447202899.db2.gz WJOYYPOICZAALA-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252550 /nfs/dbraw/zinc/25/25/50/447252550.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO C[N@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252552 /nfs/dbraw/zinc/25/25/52/447252552.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000376042024 447230735 /nfs/dbraw/zinc/23/07/35/447230735.db2.gz JNIOBXLVHPKRCY-ICSRJNTNSA-N 1 3 345.487 1.865 20 0 EDADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)nn1 ZINC000379667406 447454548 /nfs/dbraw/zinc/45/45/48/447454548.db2.gz ZPXGLEJZSXXIFD-MRXNPFEDSA-N 1 3 342.447 1.021 20 0 EDADHO O=C(NC[C@@H]1CCCN1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707198 447457854 /nfs/dbraw/zinc/45/78/54/447457854.db2.gz NXHHNILPFMXBMY-KRWDZBQOSA-N 1 3 338.496 1.007 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415506320 447486116 /nfs/dbraw/zinc/48/61/16/447486116.db2.gz ZUCRXFXSUOSLCV-INIZCTEOSA-N 1 3 334.464 1.363 20 0 EDADHO C[C@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000419928874 447495546 /nfs/dbraw/zinc/49/55/46/447495546.db2.gz LOUJYJRRBSHMFZ-WBVHZDCISA-N 1 3 346.475 1.041 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390899740 447504907 /nfs/dbraw/zinc/50/49/07/447504907.db2.gz MXTSMMXCOBHBCM-KSZLIROESA-N 1 3 331.460 1.521 20 0 EDADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](CN)C1CCCCC1 ZINC000419968822 447520957 /nfs/dbraw/zinc/52/09/57/447520957.db2.gz QTSXSTNBGLETSY-INIZCTEOSA-N 1 3 340.512 1.201 20 0 EDADHO CN1CCN(CCCNC(=O)C[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292985 447575810 /nfs/dbraw/zinc/57/58/10/447575810.db2.gz WMNBXRAUELOXJP-MJGOQNOKSA-N 1 3 344.503 1.481 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150364 447532828 /nfs/dbraw/zinc/53/28/28/447532828.db2.gz JQIUARFRDRGKCX-QZTJIDSGSA-N 1 3 333.476 1.906 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408748 447538478 /nfs/dbraw/zinc/53/84/78/447538478.db2.gz MQNKLJDKDHGHGJ-OWCLPIDISA-N 1 3 340.512 1.610 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@H+]1C ZINC000394408748 447538482 /nfs/dbraw/zinc/53/84/82/447538482.db2.gz MQNKLJDKDHGHGJ-OWCLPIDISA-N 1 3 340.512 1.610 20 0 EDADHO CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000420013453 447546065 /nfs/dbraw/zinc/54/60/65/447546065.db2.gz LEURMDZVIZAPNI-VYDXJSESSA-N 1 3 346.475 1.134 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)N[C@H](CO)CN1CCCCC1)c1ccccc1 ZINC000416246736 447547904 /nfs/dbraw/zinc/54/79/04/447547904.db2.gz VUNACIDJWBDICF-ROUUACIJSA-N 1 3 333.476 1.642 20 0 EDADHO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CCN(C2CC2)CC1 ZINC000450866662 447600400 /nfs/dbraw/zinc/60/04/00/447600400.db2.gz TYHJMNSPWCITBN-UHOSZYNNSA-N 1 3 347.503 1.667 20 0 EDADHO CC(C)N1C[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000420124176 447617227 /nfs/dbraw/zinc/61/72/27/447617227.db2.gz LWYNXBMZDRZBBA-ZQIUZPCESA-N 1 3 346.475 1.167 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459252381 447622842 /nfs/dbraw/zinc/62/28/42/447622842.db2.gz GWOZHLWCEGICCP-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459252381 447622846 /nfs/dbraw/zinc/62/28/46/447622846.db2.gz GWOZHLWCEGICCP-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO O[C@@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)N(Cc2ccccc2)C1 ZINC000459452592 447670744 /nfs/dbraw/zinc/67/07/44/447670744.db2.gz MFZOBVSUVOYJJF-VQTJNVASSA-N 1 3 329.488 1.838 20 0 EDADHO CN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)C1CC([NH3+])C1 ZINC000417087684 447734168 /nfs/dbraw/zinc/73/41/68/447734168.db2.gz HRBDTBDIPCYMMD-UHFFFAOYSA-N 1 3 330.476 1.954 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422746956 447737219 /nfs/dbraw/zinc/73/72/19/447737219.db2.gz XRTOGHDYFGBSLK-VQTJNVASSA-N 1 3 347.503 1.526 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@H]1CCC[NH2+]CC1)CC2 ZINC000422770242 447746252 /nfs/dbraw/zinc/74/62/52/447746252.db2.gz URGORAPDYLNWNM-KRWDZBQOSA-N 1 3 333.476 1.794 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000422939590 447776716 /nfs/dbraw/zinc/77/67/16/447776716.db2.gz MEPXKHMLWSCZJW-CVEARBPZSA-N 1 3 325.478 1.687 20 0 EDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950215 447778948 /nfs/dbraw/zinc/77/89/48/447778948.db2.gz XLWNTANWSZUECU-CABCVRRESA-N 1 3 339.505 1.803 20 0 EDADHO C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422961998 447781837 /nfs/dbraw/zinc/78/18/37/447781837.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 1 3 326.444 1.564 20 0 EDADHO C[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cnccc1N ZINC000422961998 447781842 /nfs/dbraw/zinc/78/18/42/447781842.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 1 3 326.444 1.564 20 0 EDADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000471649581 447807312 /nfs/dbraw/zinc/80/73/12/447807312.db2.gz ZARMOAQBNWKPPR-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000471649581 447807315 /nfs/dbraw/zinc/80/73/15/447807315.db2.gz ZARMOAQBNWKPPR-WBVHZDCISA-N 1 3 338.496 1.223 20 0 EDADHO CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000471659243 447808279 /nfs/dbraw/zinc/80/82/79/447808279.db2.gz PSKLAZNDUWBWPF-SFHVURJKSA-N 1 3 348.491 1.481 20 0 EDADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(C2CCC2)C1 ZINC000487820754 447837068 /nfs/dbraw/zinc/83/70/68/447837068.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN(C2CCC2)C1 ZINC000487820754 447837069 /nfs/dbraw/zinc/83/70/69/447837069.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943190 /nfs/dbraw/zinc/94/31/90/447943190.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 1 3 337.508 1.676 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943195 /nfs/dbraw/zinc/94/31/95/447943195.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 1 3 337.508 1.676 20 0 EDADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000570306403 447984744 /nfs/dbraw/zinc/98/47/44/447984744.db2.gz YRCZDFYQZQQLLT-AEFFLSMTSA-N 1 3 345.491 1.026 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985504 /nfs/dbraw/zinc/98/55/04/447985504.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 1 3 349.519 1.698 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985509 /nfs/dbraw/zinc/98/55/09/447985509.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 1 3 349.519 1.698 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc4n[nH]cc4c3)CC2)CC1 ZINC000531074467 448014314 /nfs/dbraw/zinc/01/43/14/448014314.db2.gz XNHOHTWYWYELBK-UHFFFAOYSA-N 1 3 341.459 1.851 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530819000 447965597 /nfs/dbraw/zinc/96/55/97/447965597.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530819000 447965603 /nfs/dbraw/zinc/96/56/03/447965603.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 1 3 345.487 1.614 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000500189029 448087706 /nfs/dbraw/zinc/08/77/06/448087706.db2.gz SYEHGXFCQWMMJR-NUEKZKHPSA-N 1 3 326.485 1.004 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)N(C)C1 ZINC000501762443 448098113 /nfs/dbraw/zinc/09/81/13/448098113.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 1 3 340.512 1.325 20 0 EDADHO CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)N(C)C1 ZINC000501762443 448098118 /nfs/dbraw/zinc/09/81/18/448098118.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 1 3 340.512 1.325 20 0 EDADHO CCN1CCN(Cc2ccc(N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000571908669 448233991 /nfs/dbraw/zinc/23/39/91/448233991.db2.gz PUGSPFXYFWUTQF-PWIZWCRZSA-N 1 3 346.519 1.988 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532282264 448225570 /nfs/dbraw/zinc/22/55/70/448225570.db2.gz JGHRSSJUICAZGS-DJIMGWMZSA-N 1 3 338.496 1.100 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N2CCCC2)cc1 ZINC000591092301 448259524 /nfs/dbraw/zinc/25/95/24/448259524.db2.gz YQFSFFHLFLHXPY-AEFFLSMTSA-N 1 3 331.460 1.900 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N2CCCC2)cc1 ZINC000591092301 448259528 /nfs/dbraw/zinc/25/95/28/448259528.db2.gz YQFSFFHLFLHXPY-AEFFLSMTSA-N 1 3 331.460 1.900 20 0 EDADHO COCC1(CNC(=O)N[C@@H](C)CN2CCC(C)CC2)CC[NH2+]CC1 ZINC000582797468 448344951 /nfs/dbraw/zinc/34/49/51/448344951.db2.gz QBSYFROQJWOIOA-INIZCTEOSA-N 1 3 340.512 1.422 20 0 EDADHO c1ccc(-n2nnnc2CCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000582836234 448353045 /nfs/dbraw/zinc/35/30/45/448353045.db2.gz TVHBLFVYPJYZCB-QGZVFWFLSA-N 1 3 326.448 1.669 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000582834656 448353416 /nfs/dbraw/zinc/35/34/16/448353416.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 1 3 339.528 1.029 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000582834656 448353423 /nfs/dbraw/zinc/35/34/23/448353423.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 1 3 339.528 1.029 20 0 EDADHO CN1CCC[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000591571567 448393474 /nfs/dbraw/zinc/39/34/74/448393474.db2.gz PRGCJBATSONFEI-QGZVFWFLSA-N 1 3 348.491 1.563 20 0 EDADHO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000572596067 448416279 /nfs/dbraw/zinc/41/62/79/448416279.db2.gz FNQATNRBFSRNSN-YJBOKZPZSA-N 1 3 334.460 1.813 20 0 EDADHO CN(C[C@@H](O)C[NH2+]CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762035 448469915 /nfs/dbraw/zinc/46/99/15/448469915.db2.gz SBTSRHMGBNUUAX-FQEVSTJZSA-N 1 3 346.519 1.243 20 0 EDADHO C(CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)N1CC[NH2+]CC1 ZINC000566245230 448429056 /nfs/dbraw/zinc/42/90/56/448429056.db2.gz MOAHPTBLEMHYIZ-MRXNPFEDSA-N 1 3 332.496 1.089 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296935 448438172 /nfs/dbraw/zinc/43/81/72/448438172.db2.gz AEXFXQRITOEQQG-INIZCTEOSA-N 1 3 326.529 1.545 20 0 EDADHO CCOC(=O)CC[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000516563269 448438353 /nfs/dbraw/zinc/43/83/53/448438353.db2.gz AXHQUUNZHBCVEL-YESZJQIVSA-N 1 3 342.480 1.048 20 0 EDADHO C[C@H]1CN(CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@H](C)O1 ZINC000578130680 448468515 /nfs/dbraw/zinc/46/85/15/448468515.db2.gz XELZRWGLVVHTFB-HOTGVXAUSA-N 1 3 325.497 1.853 20 0 EDADHO CN1CCC[N@H+](CCCNCc2cnc(N3CCCC3)nc2)CC1 ZINC000591717150 448469697 /nfs/dbraw/zinc/46/96/97/448469697.db2.gz LFXKULFFYUVKCC-UHFFFAOYSA-N 1 3 332.496 1.194 20 0 EDADHO CN1CCC[N@@H+](CCCNCc2cnc(N3CCCC3)nc2)CC1 ZINC000591717150 448469704 /nfs/dbraw/zinc/46/97/04/448469704.db2.gz LFXKULFFYUVKCC-UHFFFAOYSA-N 1 3 332.496 1.194 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528339609 448491253 /nfs/dbraw/zinc/49/12/53/448491253.db2.gz XYAQGJDPKNICHD-RZFLPCETSA-N 1 3 339.524 1.920 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528339609 448491257 /nfs/dbraw/zinc/49/12/57/448491257.db2.gz XYAQGJDPKNICHD-RZFLPCETSA-N 1 3 339.524 1.920 20 0 EDADHO C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCCN(C2CCC2)C1 ZINC000578354607 448527467 /nfs/dbraw/zinc/52/74/67/448527467.db2.gz PQEUQTSNJNIECL-NRUSHDPLSA-N 1 3 348.491 1.750 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCN2CCOC)CC1 ZINC000578661183 448606858 /nfs/dbraw/zinc/60/68/58/448606858.db2.gz YJKKLDPWRYHYFG-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC000573278509 448586194 /nfs/dbraw/zinc/58/61/94/448586194.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC000573278509 448586199 /nfs/dbraw/zinc/58/61/99/448586199.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 1 3 326.485 1.128 20 0 EDADHO CN1CCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000566922989 448586501 /nfs/dbraw/zinc/58/65/01/448586501.db2.gz BQJQGWYDPXZTQM-UHFFFAOYSA-N 1 3 346.519 1.547 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)c3n[nH]c(C)n3)CC2)CC1 ZINC000567177898 448631707 /nfs/dbraw/zinc/63/17/07/448631707.db2.gz QTDYYRMRDWKBCK-CYBMUJFWSA-N 1 3 348.495 1.487 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688501 448690857 /nfs/dbraw/zinc/69/08/57/448690857.db2.gz TVPTVUACHQYRLL-FCEWJHQRSA-N 1 3 337.508 1.866 20 0 EDADHO COC(=O)[C@@H]1CN(C/C=C\C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129767 448699900 /nfs/dbraw/zinc/69/99/00/448699900.db2.gz WATLWASSJVJSKE-YAYUBMGZSA-N 1 3 338.448 1.024 20 0 EDADHO COC(=O)[C@@H]1CN(C/C=C\C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129767 448699903 /nfs/dbraw/zinc/69/99/03/448699903.db2.gz WATLWASSJVJSKE-YAYUBMGZSA-N 1 3 338.448 1.024 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567817450 448767047 /nfs/dbraw/zinc/76/70/47/448767047.db2.gz PUMAXHGMJGAIRO-UHFFFAOYSA-N 1 3 341.459 1.814 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000579470026 448801034 /nfs/dbraw/zinc/80/10/34/448801034.db2.gz YOIPVOJNTURNPI-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H](CC(=O)N1CCCCCC1)NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000574269762 448832117 /nfs/dbraw/zinc/83/21/17/448832117.db2.gz SSPQYWRNIJKMQJ-AWEZNQCLSA-N 1 3 348.495 1.543 20 0 EDADHO COCCN1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191476 448832460 /nfs/dbraw/zinc/83/24/60/448832460.db2.gz JALRMPYWCIURQH-JKSUJKDBSA-N 1 3 341.521 1.041 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000520314018 448882622 /nfs/dbraw/zinc/88/26/22/448882622.db2.gz BCWLEMQBOPHRSA-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000520314018 448882627 /nfs/dbraw/zinc/88/26/27/448882627.db2.gz BCWLEMQBOPHRSA-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO O=C(NC[C@@H]1CCCCN1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729040 448909336 /nfs/dbraw/zinc/90/93/36/448909336.db2.gz SFYMGODXDRHFND-HNNXBMFYSA-N 1 3 332.448 1.301 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000568864119 448929795 /nfs/dbraw/zinc/92/97/95/448929795.db2.gz XVFPSPKIKHENCS-PBHICJAKSA-N 1 3 348.516 1.818 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000521863235 449019846 /nfs/dbraw/zinc/01/98/46/449019846.db2.gz VBDBHZTULBGDHK-AABGKKOBSA-N 1 3 348.487 1.532 20 0 EDADHO [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[C@@H](N4CCCCC4)C3)c21 ZINC000592960139 449083802 /nfs/dbraw/zinc/08/38/02/449083802.db2.gz YYWPTBFERDOSDX-LSDHHAIUSA-N 1 3 331.464 1.420 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192901 449062382 /nfs/dbraw/zinc/06/23/82/449062382.db2.gz ZAVUWCGDSUCTRR-SJORKVTESA-N 1 3 341.496 1.057 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192901 449062387 /nfs/dbraw/zinc/06/23/87/449062387.db2.gz ZAVUWCGDSUCTRR-SJORKVTESA-N 1 3 341.496 1.057 20 0 EDADHO C[NH+](C)CCCNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000601877953 449202528 /nfs/dbraw/zinc/20/25/28/449202528.db2.gz YPJOZFUVWHGYCP-UHFFFAOYSA-N 1 3 342.553 1.989 20 0 EDADHO CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066442 449441438 /nfs/dbraw/zinc/44/14/38/449441438.db2.gz FREVQAPDQZWHQY-APWZRJJASA-N 1 3 337.508 1.556 20 0 EDADHO CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000614066442 449441444 /nfs/dbraw/zinc/44/14/44/449441444.db2.gz FREVQAPDQZWHQY-APWZRJJASA-N 1 3 337.508 1.556 20 0 EDADHO COC(=O)CCNC(=O)CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000600711619 449510445 /nfs/dbraw/zinc/51/04/45/449510445.db2.gz SOZJULAKIKTAQC-CVEARBPZSA-N 1 3 333.432 1.139 20 0 EDADHO CC(C)OC(=O)C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)C(C)C ZINC000594583261 449584575 /nfs/dbraw/zinc/58/45/75/449584575.db2.gz GFJAIZZGARNKQN-GJZGRUSLSA-N 1 3 327.469 1.140 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000617504887 449649779 /nfs/dbraw/zinc/64/97/79/449649779.db2.gz NZUSFEKCIHJDAA-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC000617504887 449649784 /nfs/dbraw/zinc/64/97/84/449649784.db2.gz NZUSFEKCIHJDAA-GJZGRUSLSA-N 1 3 340.512 1.070 20 0 EDADHO CC(C)Nc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000617507204 449656945 /nfs/dbraw/zinc/65/69/45/449656945.db2.gz MFVIVLZCZMTWPY-HNNXBMFYSA-N 1 3 335.496 1.904 20 0 EDADHO CC(C)Nc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000617507204 449656950 /nfs/dbraw/zinc/65/69/50/449656950.db2.gz MFVIVLZCZMTWPY-HNNXBMFYSA-N 1 3 335.496 1.904 20 0 EDADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc2c(c1)OCO2 ZINC000617507755 449658773 /nfs/dbraw/zinc/65/87/73/449658773.db2.gz IJVWXVNYYXQLBW-LSDHHAIUSA-N 1 3 349.475 1.907 20 0 EDADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc2c(c1)OCO2 ZINC000617507755 449658775 /nfs/dbraw/zinc/65/87/75/449658775.db2.gz IJVWXVNYYXQLBW-LSDHHAIUSA-N 1 3 349.475 1.907 20 0 EDADHO CCN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554666 449684455 /nfs/dbraw/zinc/68/44/55/449684455.db2.gz HKAJLEVIMQZGTO-LJQANCHMSA-N 1 3 344.503 1.751 20 0 EDADHO CCN(C(=O)CCN1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617554666 449684464 /nfs/dbraw/zinc/68/44/64/449684464.db2.gz HKAJLEVIMQZGTO-LJQANCHMSA-N 1 3 344.503 1.751 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617502516 449647663 /nfs/dbraw/zinc/64/76/63/449647663.db2.gz RWSWEFTZCYSPGQ-UHOSZYNNSA-N 1 3 347.503 1.805 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000617502516 449647665 /nfs/dbraw/zinc/64/76/65/449647665.db2.gz RWSWEFTZCYSPGQ-UHOSZYNNSA-N 1 3 347.503 1.805 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)N(C)C ZINC000617700446 449744536 /nfs/dbraw/zinc/74/45/36/449744536.db2.gz DZPINNLOHRVTIO-MSOLQXFVSA-N 1 3 333.476 1.456 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N(C)C ZINC000617700446 449744540 /nfs/dbraw/zinc/74/45/40/449744540.db2.gz DZPINNLOHRVTIO-MSOLQXFVSA-N 1 3 333.476 1.456 20 0 EDADHO C[C@]1(NC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877267 449922094 /nfs/dbraw/zinc/92/20/94/449922094.db2.gz RDAQALICLUQBPM-MJGOQNOKSA-N 1 3 330.476 1.950 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000601436940 449959045 /nfs/dbraw/zinc/95/90/45/449959045.db2.gz MTDALZJEXJRBLD-XUWVNRHRSA-N 1 3 325.522 1.755 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@@H](N3CCCC3)C2)CC[N@H+]1C ZINC000601436940 449959051 /nfs/dbraw/zinc/95/90/51/449959051.db2.gz MTDALZJEXJRBLD-XUWVNRHRSA-N 1 3 325.522 1.755 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970992 449963995 /nfs/dbraw/zinc/96/39/95/449963995.db2.gz NKJAPBSZJNLCQS-QGZVFWFLSA-N 1 3 346.475 1.568 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000612975866 449967095 /nfs/dbraw/zinc/96/70/95/449967095.db2.gz OPLIPJAVIPIGIR-YESZJQIVSA-N 1 3 328.460 1.873 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987694 449972921 /nfs/dbraw/zinc/97/29/21/449972921.db2.gz MVGKRJRGZTUJAX-IRXDYDNUSA-N 1 3 346.475 1.739 20 0 EDADHO CCn1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)n1 ZINC000618043687 449982300 /nfs/dbraw/zinc/98/23/00/449982300.db2.gz NLELEYNILSRVFT-UHFFFAOYSA-N 1 3 333.480 2.038 20 0 EDADHO CN(CC1CN(C)C1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000618193984 450049014 /nfs/dbraw/zinc/04/90/14/450049014.db2.gz LQJIDOUYIHFJOX-UHFFFAOYSA-N 1 3 344.503 1.609 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4COC[C@@]4(C)C3)CC2)CC1 ZINC000618702427 450276608 /nfs/dbraw/zinc/27/66/08/450276608.db2.gz RCKYRLABFRNMSP-YLJYHZDGSA-N 1 3 349.519 1.678 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267606 /nfs/dbraw/zinc/26/76/06/450267606.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267610 /nfs/dbraw/zinc/26/76/10/450267610.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 1 3 336.524 1.537 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323218 /nfs/dbraw/zinc/32/32/18/450323218.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 1 3 327.472 1.932 20 0 EDADHO C[N@H+]1C[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323224 /nfs/dbraw/zinc/32/32/24/450323224.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 1 3 327.472 1.932 20 0 EDADHO CCCN1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904868 450369895 /nfs/dbraw/zinc/36/98/95/450369895.db2.gz QYPVNIKDVMLHSA-JKSUJKDBSA-N 1 3 325.522 1.804 20 0 EDADHO CCC1([NH+]2CCOCC2)CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000626089371 450573075 /nfs/dbraw/zinc/57/30/75/450573075.db2.gz NPDONTYIOFGGMX-QZTJIDSGSA-N 1 3 339.524 1.672 20 0 EDADHO CCCN(CCN1CCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633039458 450636187 /nfs/dbraw/zinc/63/61/87/450636187.db2.gz KXCYRJUXVGJKAC-UHFFFAOYSA-N 1 3 335.496 1.783 20 0 EDADHO CN1CCCC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120835 450714970 /nfs/dbraw/zinc/71/49/70/450714970.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 1 3 338.540 1.105 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@@H+]1C ZINC000633157455 450716040 /nfs/dbraw/zinc/71/60/40/450716040.db2.gz QWMDOPGJRPQCMC-FGTMMUONSA-N 1 3 331.460 1.922 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)CC[N@H+]1C ZINC000633157455 450716047 /nfs/dbraw/zinc/71/60/47/450716047.db2.gz QWMDOPGJRPQCMC-FGTMMUONSA-N 1 3 331.460 1.922 20 0 EDADHO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000629571515 450742148 /nfs/dbraw/zinc/74/21/48/450742148.db2.gz VNSZRSYIDUEGNE-VQIMIIECSA-N 1 3 332.492 1.653 20 0 EDADHO CN1CCN(CC2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621659202 450819096 /nfs/dbraw/zinc/81/90/96/450819096.db2.gz BWOSXTQGHNOURK-KRWDZBQOSA-N 1 3 336.524 1.252 20 0 EDADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000629981475 450932230 /nfs/dbraw/zinc/93/22/30/450932230.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000629981475 450932236 /nfs/dbraw/zinc/93/22/36/450932236.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO COc1ccnc(OC)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000633613972 450943213 /nfs/dbraw/zinc/94/32/13/450943213.db2.gz JPUFYEQZRTYWKU-ZDUSSCGKSA-N 1 3 338.452 1.101 20 0 EDADHO COc1ccnc(OC)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000633613972 450943218 /nfs/dbraw/zinc/94/32/18/450943218.db2.gz JPUFYEQZRTYWKU-ZDUSSCGKSA-N 1 3 338.452 1.101 20 0 EDADHO CCN(CC[NH3+])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000626943689 451023117 /nfs/dbraw/zinc/02/31/17/451023117.db2.gz OPZYSEROBNJQAJ-UHFFFAOYSA-N 1 3 347.507 1.579 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626945183 451024079 /nfs/dbraw/zinc/02/40/79/451024079.db2.gz RFCOCZHZNMAIDJ-SJORKVTESA-N 1 3 330.476 1.743 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CN1C1CC1 ZINC000626996865 451062518 /nfs/dbraw/zinc/06/25/18/451062518.db2.gz HGIVZZXXKBGCAU-NRWUCQMLSA-N 1 3 348.413 1.780 20 0 EDADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCOCCC[NH3+])N(C)C ZINC000627033344 451091862 /nfs/dbraw/zinc/09/18/62/451091862.db2.gz HKJXIHKYIYERHA-NVXWUHKLSA-N 1 3 336.480 1.651 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626980597 451049948 /nfs/dbraw/zinc/04/99/48/451049948.db2.gz UYIACJCQFAZJOC-INIZCTEOSA-N 1 3 348.491 1.877 20 0 EDADHO CCCN1CC[C@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627116805 451133101 /nfs/dbraw/zinc/13/31/01/451133101.db2.gz NNHUEBLNBMSIGR-DLBZAZTESA-N 1 3 338.496 1.271 20 0 EDADHO CN(C)CCn1cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cn1 ZINC000634095732 451191367 /nfs/dbraw/zinc/19/13/67/451191367.db2.gz FPRFZGVRRUTIKZ-UHFFFAOYSA-N 1 3 345.451 1.160 20 0 EDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638115010 451283623 /nfs/dbraw/zinc/28/36/23/451283623.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 1 3 346.519 1.826 20 0 EDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638115010 451283627 /nfs/dbraw/zinc/28/36/27/451283627.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 1 3 346.519 1.826 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635847409 451295458 /nfs/dbraw/zinc/29/54/58/451295458.db2.gz XGSXHWGIRFCVBE-KRWDZBQOSA-N 1 3 333.476 1.927 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635847409 451295465 /nfs/dbraw/zinc/29/54/65/451295465.db2.gz XGSXHWGIRFCVBE-KRWDZBQOSA-N 1 3 333.476 1.927 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CN1Cc1ccccc1 ZINC000638129260 451300246 /nfs/dbraw/zinc/30/02/46/451300246.db2.gz XZUAVLTZCLBDEK-SUMDDJOVSA-N 1 3 331.460 1.521 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CN1Cc1ccccc1 ZINC000638129259 451300906 /nfs/dbraw/zinc/30/09/06/451300906.db2.gz XZUAVLTZCLBDEK-HHXXYDBFSA-N 1 3 331.460 1.521 20 0 EDADHO CN1CCN(CCCCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137757 451312572 /nfs/dbraw/zinc/31/25/72/451312572.db2.gz NFOSBYKQHSVTGU-UHFFFAOYSA-N 1 3 344.503 1.019 20 0 EDADHO C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)CN1 ZINC000638158070 451328574 /nfs/dbraw/zinc/32/85/74/451328574.db2.gz OLKGZMIIDWAKTQ-SJORKVTESA-N 1 3 344.503 1.579 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638166457 451332476 /nfs/dbraw/zinc/33/24/76/451332476.db2.gz XCEUXJQCTMCHJE-XSLAGTTESA-N 1 3 330.476 1.032 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928379 451371943 /nfs/dbraw/zinc/37/19/43/451371943.db2.gz FMYOPRZFZZAXOB-ILZDJORESA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928379 451371948 /nfs/dbraw/zinc/37/19/48/451371948.db2.gz FMYOPRZFZZAXOB-ILZDJORESA-N 1 3 345.487 1.591 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630747830 451382191 /nfs/dbraw/zinc/38/21/91/451382191.db2.gz WXPIMZMERXYRKM-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cnn(CCN(C)C)c1 ZINC000630747830 451382195 /nfs/dbraw/zinc/38/21/95/451382195.db2.gz WXPIMZMERXYRKM-INIZCTEOSA-N 1 3 335.496 1.829 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346762 /nfs/dbraw/zinc/34/67/62/451346762.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 1 3 342.487 1.075 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[N@H+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346765 /nfs/dbraw/zinc/34/67/65/451346765.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 1 3 342.487 1.075 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(C3)CCCO4)CC2)CC1 ZINC000636680891 451409989 /nfs/dbraw/zinc/40/99/89/451409989.db2.gz QJYSPGIPFBJHDD-UHFFFAOYSA-N 1 3 336.480 1.119 20 0 EDADHO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638304679 451419233 /nfs/dbraw/zinc/41/92/33/451419233.db2.gz JNWNLXVRHDQOEQ-RDTXWAMCSA-N 1 3 332.448 1.102 20 0 EDADHO COC[C@@]1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCCN1 ZINC000638350605 451451513 /nfs/dbraw/zinc/45/15/13/451451513.db2.gz DJJROCDZCGMJNI-JHGNMZQASA-N 1 3 335.492 1.415 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cn([C@H]3CCC[NH2+]C3)nn1)CCC2 ZINC000638543962 451569696 /nfs/dbraw/zinc/56/96/96/451569696.db2.gz QHFWPGIRLBHWEH-HNNXBMFYSA-N 1 3 340.431 1.254 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CNCc3ccccc32)CC[C@H]1C(F)(F)F ZINC000638560724 451576730 /nfs/dbraw/zinc/57/67/30/451576730.db2.gz XJXFVXXKQPKLAD-VHDGCEQUSA-N 1 3 341.377 1.859 20 0 EDADHO CC[C@](C)([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640836462 451621027 /nfs/dbraw/zinc/62/10/27/451621027.db2.gz FDWRIOPHIRDSGE-QAPCUYQASA-N 1 3 344.463 1.281 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCOC1 ZINC000638748400 451674434 /nfs/dbraw/zinc/67/44/34/451674434.db2.gz HYBGLOHKIBPXRG-DZOHQFGASA-N 1 3 326.481 1.395 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCOC1 ZINC000638748402 451674921 /nfs/dbraw/zinc/67/49/21/451674921.db2.gz HYBGLOHKIBPXRG-VDHUWJSZSA-N 1 3 326.481 1.395 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638852688 451711405 /nfs/dbraw/zinc/71/14/05/451711405.db2.gz ZSPFWXSQHGPSAJ-QRVBRYPASA-N 1 3 345.487 1.911 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860816 451713893 /nfs/dbraw/zinc/71/38/93/451713893.db2.gz GZNRMBHPAWIXCD-RZQQEMMASA-N 1 3 349.519 1.996 20 0 EDADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(S(N)(=O)=O)s1 ZINC000638865246 451714255 /nfs/dbraw/zinc/71/42/55/451714255.db2.gz UKTBUQGTODMRFW-LBPRGKRZSA-N 1 3 333.523 1.996 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2cccn(C(F)F)c2=O)CC1 ZINC000638737034 451670700 /nfs/dbraw/zinc/67/07/00/451670700.db2.gz CKGIVPMANIGDBC-UHFFFAOYSA-N 1 3 329.391 1.568 20 0 EDADHO C[NH+]1CCC(n2cc(NC(=O)[C@H]3CNCCC3(F)F)cn2)CC1 ZINC000638976626 451744232 /nfs/dbraw/zinc/74/42/32/451744232.db2.gz BHSGXWBPHJYMKX-CYBMUJFWSA-N 1 3 327.379 1.333 20 0 EDADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000638977465 451744728 /nfs/dbraw/zinc/74/47/28/451744728.db2.gz SPEPWIUKCRUBLR-PMACEKPBSA-N 1 3 348.487 1.784 20 0 EDADHO CO[C@@]1(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761726 /nfs/dbraw/zinc/76/17/26/451761726.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 1 3 334.460 1.361 20 0 EDADHO CO[C@@]1(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074875 451761727 /nfs/dbraw/zinc/76/17/27/451761727.db2.gz DBJZFLLPIDNNCY-RBUKOAKNSA-N 1 3 334.460 1.361 20 0 EDADHO CC(C)[C@H]1CN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CCN1C ZINC000637263141 451773411 /nfs/dbraw/zinc/77/34/11/451773411.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 1 3 341.544 1.240 20 0 EDADHO C[C@H]1CN(CCC[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)CCCO1 ZINC000644632256 451906686 /nfs/dbraw/zinc/90/66/86/451906686.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 1 3 349.519 1.570 20 0 EDADHO COC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305095 451982319 /nfs/dbraw/zinc/98/23/19/451982319.db2.gz CVMICXFENDASER-AZUAARDMSA-N 1 3 345.487 1.783 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310520 451988180 /nfs/dbraw/zinc/98/81/80/451988180.db2.gz QCZFWSBEAGSGGU-HUUCEWRRSA-N 1 3 334.468 1.197 20 0 EDADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCN(CCc2ccccn2)CC1 ZINC000649312188 451990188 /nfs/dbraw/zinc/99/01/88/451990188.db2.gz ZGLXPVZOENNLRA-PIIMJCKOSA-N 1 3 328.460 1.012 20 0 EDADHO CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417786 452079269 /nfs/dbraw/zinc/07/92/69/452079269.db2.gz GZVRWKKOUYCIOE-IRXDYDNUSA-N 1 3 333.480 1.090 20 0 EDADHO Cc1csc2nc(CN3CCC4(C3)CC[NH+](C)CC4)cc(=O)n12 ZINC000639756771 452095995 /nfs/dbraw/zinc/09/59/95/452095995.db2.gz COJNIBSKIQILMF-UHFFFAOYSA-N 1 3 332.473 1.982 20 0 EDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218366 452130541 /nfs/dbraw/zinc/13/05/41/452130541.db2.gz JAQRCGIQPPNXMV-KDOFPFPSSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218366 452130545 /nfs/dbraw/zinc/13/05/45/452130545.db2.gz JAQRCGIQPPNXMV-KDOFPFPSSA-N 1 3 331.460 1.651 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451761 452246042 /nfs/dbraw/zinc/24/60/42/452246042.db2.gz WEOYZSBSERQORR-CLCXKQKWSA-N 1 3 329.444 1.732 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654104756 452247890 /nfs/dbraw/zinc/24/78/90/452247890.db2.gz VLAKOVXJRRPGIY-HUUCEWRRSA-N 1 3 334.468 1.583 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654104756 452247898 /nfs/dbraw/zinc/24/78/98/452247898.db2.gz VLAKOVXJRRPGIY-HUUCEWRRSA-N 1 3 334.468 1.583 20 0 EDADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@H](CO)c1ccc(F)cc1 ZINC000647529464 452263485 /nfs/dbraw/zinc/26/34/85/452263485.db2.gz HAFVBTHCZXRUMS-UYAOXDASSA-N 1 3 346.446 1.984 20 0 EDADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@H](CO)c1ccc(F)cc1 ZINC000647529464 452263493 /nfs/dbraw/zinc/26/34/93/452263493.db2.gz HAFVBTHCZXRUMS-UYAOXDASSA-N 1 3 346.446 1.984 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544222 452275194 /nfs/dbraw/zinc/27/51/94/452275194.db2.gz YIJHCFCPKZZBKY-HZPDHXFCSA-N 1 3 341.455 1.994 20 0 EDADHO CC1(C)[C@H]([NH2+]CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H]1N ZINC000641802037 452277221 /nfs/dbraw/zinc/27/72/21/452277221.db2.gz HDQVMAYBTXMKFU-DLBZAZTESA-N 1 3 348.466 1.580 20 0 EDADHO COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665757716 452323411 /nfs/dbraw/zinc/32/34/11/452323411.db2.gz UJBUIHHYPJXGIU-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO COC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665757716 452323407 /nfs/dbraw/zinc/32/34/07/452323407.db2.gz UJBUIHHYPJXGIU-HOTGVXAUSA-N 1 3 328.501 1.326 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661515323 452324641 /nfs/dbraw/zinc/32/46/41/452324641.db2.gz RBMRLDBLEOTHEE-CVEARBPZSA-N 1 3 338.496 1.412 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000661515323 452324648 /nfs/dbraw/zinc/32/46/48/452324648.db2.gz RBMRLDBLEOTHEE-CVEARBPZSA-N 1 3 338.496 1.412 20 0 EDADHO CCC1(CO)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665760215 452330699 /nfs/dbraw/zinc/33/06/99/452330699.db2.gz CHHDNYZSFRZBAD-INIZCTEOSA-N 1 3 342.528 1.453 20 0 EDADHO CCC1(CO)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665760215 452330710 /nfs/dbraw/zinc/33/07/10/452330710.db2.gz CHHDNYZSFRZBAD-INIZCTEOSA-N 1 3 342.528 1.453 20 0 EDADHO CCN1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332915 /nfs/dbraw/zinc/33/29/15/452332915.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 1 3 341.544 1.383 20 0 EDADHO COCCCN1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652145481 452338661 /nfs/dbraw/zinc/33/86/61/452338661.db2.gz PLZIWZCIJLETGP-UHFFFAOYSA-N 1 3 326.485 1.176 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000665764058 452348169 /nfs/dbraw/zinc/34/81/69/452348169.db2.gz SURFMNNJEXQADY-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000665764058 452348180 /nfs/dbraw/zinc/34/81/80/452348180.db2.gz SURFMNNJEXQADY-HOTGVXAUSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CCN1C ZINC000652159101 452352903 /nfs/dbraw/zinc/35/29/03/452352903.db2.gz RMHXZPKUJKGYFL-JJTUDDRGSA-N 1 3 338.496 1.397 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652167226 452360837 /nfs/dbraw/zinc/36/08/37/452360837.db2.gz OCADAYFBRFVNDK-OAHLLOKOSA-N 1 3 326.485 1.271 20 0 EDADHO CO[C@@H]1CN[C@](C)(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064246 452363225 /nfs/dbraw/zinc/36/32/25/452363225.db2.gz KPMVRDLMPSNFFU-BQFCYCMXSA-N 1 3 325.497 1.626 20 0 EDADHO CC[C@@]1(O)CCCN(CCOCC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371404 /nfs/dbraw/zinc/37/14/04/452371404.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 1 3 328.497 1.477 20 0 EDADHO CC[C@@]1(O)CCCN(CCOCC[N@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371410 /nfs/dbraw/zinc/37/14/10/452371410.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 1 3 328.497 1.477 20 0 EDADHO CC[C@@]1(O)CCC[N@@H+](CCOCCN2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371421 /nfs/dbraw/zinc/37/14/21/452371421.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 1 3 328.497 1.477 20 0 EDADHO CC[C@@]1(O)CCC[N@H+](CCOCCN2CCC[C@@](O)(CC)C2)C1 ZINC000640034436 452371430 /nfs/dbraw/zinc/37/14/30/452371430.db2.gz XWSGZKYMVGESSL-HDICACEKSA-N 1 3 328.497 1.477 20 0 EDADHO CC[NH2+]CCCNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659505421 452371730 /nfs/dbraw/zinc/37/17/30/452371730.db2.gz MZKQDFIKKHNASM-KRWDZBQOSA-N 1 3 334.464 1.052 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659536658 452396577 /nfs/dbraw/zinc/39/65/77/452396577.db2.gz ISETVADXQFUWPX-QAPCUYQASA-N 1 3 345.491 1.591 20 0 EDADHO C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)CN1 ZINC000659564845 452419136 /nfs/dbraw/zinc/41/91/36/452419136.db2.gz CPGUEQDAWOTWLR-HOTGVXAUSA-N 1 3 345.491 1.685 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000645452126 452419716 /nfs/dbraw/zinc/41/97/16/452419716.db2.gz HDQNYJYZOVYFOK-HKUYNNGSSA-N 1 3 344.503 1.309 20 0 EDADHO C[C@@]1(C[NH3+])CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659566830 452420563 /nfs/dbraw/zinc/42/05/63/452420563.db2.gz OKGLWYSVNABNJS-IBGZPJMESA-N 1 3 345.491 1.674 20 0 EDADHO [NH3+]C1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC000659566567 452422186 /nfs/dbraw/zinc/42/21/86/452422186.db2.gz LVNVQAWQHQATTP-UHFFFAOYSA-N 1 3 331.464 1.426 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663693508 452431605 /nfs/dbraw/zinc/43/16/05/452431605.db2.gz OZXOXEDXUNGVTI-RDJZCZTQSA-N 1 3 340.512 1.203 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000663693508 452431614 /nfs/dbraw/zinc/43/16/14/452431614.db2.gz OZXOXEDXUNGVTI-RDJZCZTQSA-N 1 3 340.512 1.203 20 0 EDADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC1CCN([C@H]3CCOC3)CC1)C2 ZINC000659608849 452465818 /nfs/dbraw/zinc/46/58/18/452465818.db2.gz RJBDDTHKSGZPNX-ZVZYQTTQSA-N 1 3 336.480 1.010 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000652286923 452470044 /nfs/dbraw/zinc/47/00/44/452470044.db2.gz JFTKFDGICPYQDB-GOSISDBHSA-N 1 3 348.491 1.658 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646703 452508261 /nfs/dbraw/zinc/50/82/61/452508261.db2.gz PRUDLBLADIEFNS-DOTOQJQBSA-N 1 3 333.480 1.685 20 0 EDADHO CN(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345473 452519328 /nfs/dbraw/zinc/51/93/28/452519328.db2.gz CKMALHVSCJAZFT-FHWLQOOXSA-N 1 3 345.487 1.863 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346647 452522572 /nfs/dbraw/zinc/52/25/72/452522572.db2.gz CQFQPHIFPSFBOJ-OWSLCNJRSA-N 1 3 337.508 1.996 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CN1Cc1ccccc1 ZINC000655921281 452684448 /nfs/dbraw/zinc/68/44/48/452684448.db2.gz NEIPATVCWVQPAG-XBFCOCLRSA-N 1 3 344.381 1.838 20 0 EDADHO CC(C)Cn1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000666218545 452693178 /nfs/dbraw/zinc/69/31/78/452693178.db2.gz UPMPWYMBKGQJAP-HNNXBMFYSA-N 1 3 338.500 1.933 20 0 EDADHO CC(C)Cn1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000666218545 452693187 /nfs/dbraw/zinc/69/31/87/452693187.db2.gz UPMPWYMBKGQJAP-HNNXBMFYSA-N 1 3 338.500 1.933 20 0 EDADHO COCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCOCC1 ZINC000647952058 452694298 /nfs/dbraw/zinc/69/42/98/452694298.db2.gz KOHSYFWBVOQJPY-KRWDZBQOSA-N 1 3 349.475 1.191 20 0 EDADHO CN(CCN1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652611045 452769556 /nfs/dbraw/zinc/76/95/56/452769556.db2.gz VMZNLBAJOZTDDX-HNNXBMFYSA-N 1 3 331.464 1.847 20 0 EDADHO CN(CCN1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652644581 452801898 /nfs/dbraw/zinc/80/18/98/452801898.db2.gz BSMDJOSTXGVQQX-UHFFFAOYSA-N 1 3 330.432 1.173 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106705 452826222 /nfs/dbraw/zinc/82/62/22/452826222.db2.gz OTQAQWVGXLDREA-DDUZABMNSA-N 1 3 330.432 1.198 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645493 453032076 /nfs/dbraw/zinc/03/20/76/453032076.db2.gz UDDJXEOVXVBSTK-RTBURBONSA-N 1 3 344.503 1.390 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000666645493 453032083 /nfs/dbraw/zinc/03/20/83/453032083.db2.gz UDDJXEOVXVBSTK-RTBURBONSA-N 1 3 344.503 1.390 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664217 453050780 /nfs/dbraw/zinc/05/07/80/453050780.db2.gz BIOJJMGHKYROEJ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666664217 453050788 /nfs/dbraw/zinc/05/07/88/453050788.db2.gz BIOJJMGHKYROEJ-INIZCTEOSA-N 1 3 340.512 1.613 20 0 EDADHO c1c([C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338260 453056026 /nfs/dbraw/zinc/05/60/26/453056026.db2.gz PLTYTXFJSIUOKZ-JKSUJKDBSA-N 1 3 333.480 1.568 20 0 EDADHO c1c([C@H]2CCC[N@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CCNCC1 ZINC000662338260 453056038 /nfs/dbraw/zinc/05/60/38/453056038.db2.gz PLTYTXFJSIUOKZ-JKSUJKDBSA-N 1 3 333.480 1.568 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000644195573 453123638 /nfs/dbraw/zinc/12/36/38/453123638.db2.gz JWEHSZKABXMFCZ-OAHLLOKOSA-N 1 3 332.448 1.383 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000664478129 453129599 /nfs/dbraw/zinc/12/95/99/453129599.db2.gz ILRHFJGHIUPNCY-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000664478129 453129603 /nfs/dbraw/zinc/12/96/03/453129603.db2.gz ILRHFJGHIUPNCY-JKSUJKDBSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@H](CCNC(=O)NCc1ccccc1CN1CC[C@H](O)C1)[NH+](C)C ZINC000664626844 453262977 /nfs/dbraw/zinc/26/29/77/453262977.db2.gz UMPNIELBCFWMRQ-QAPCUYQASA-N 1 3 348.491 1.393 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648804069 453288950 /nfs/dbraw/zinc/28/89/50/453288950.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 1 3 331.460 1.080 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000648804069 453288959 /nfs/dbraw/zinc/28/89/59/453288959.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 1 3 331.460 1.080 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666973711 453290274 /nfs/dbraw/zinc/29/02/74/453290274.db2.gz YTABWIVNFFZXHE-SJORKVTESA-N 1 3 338.496 1.412 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000666974714 453291992 /nfs/dbraw/zinc/29/19/92/453291992.db2.gz XJWXTRHXXGZTBP-OIISXLGYSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000666974714 453292000 /nfs/dbraw/zinc/29/20/00/453292000.db2.gz XJWXTRHXXGZTBP-OIISXLGYSA-N 1 3 338.496 1.364 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653108763 453294333 /nfs/dbraw/zinc/29/43/33/453294333.db2.gz HAVISNVIMLDMIR-QZTJIDSGSA-N 1 3 331.460 1.774 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666976638 453294584 /nfs/dbraw/zinc/29/45/84/453294584.db2.gz MGWMIPFVHXOLOY-INIZCTEOSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653116649 453304490 /nfs/dbraw/zinc/30/44/90/453304490.db2.gz NZXNXKCAFQJKHI-QGZVFWFLSA-N 1 3 333.476 1.675 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653121465 453313465 /nfs/dbraw/zinc/31/34/65/453313465.db2.gz WANYHWRRQZGAPS-BPQIPLTHSA-N 1 3 332.492 1.292 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000655246303 453370315 /nfs/dbraw/zinc/37/03/15/453370315.db2.gz HABVIOWXLWCMKX-KURKYZTESA-N 1 3 330.476 1.750 20 0 EDADHO O=C1C[C@H](CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536291 453382154 /nfs/dbraw/zinc/38/21/54/453382154.db2.gz GAJXUFKWIZTFRS-OALUTQOASA-N 1 3 342.487 1.015 20 0 EDADHO O=C1C[C@H](CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536291 453382163 /nfs/dbraw/zinc/38/21/63/453382163.db2.gz GAJXUFKWIZTFRS-OALUTQOASA-N 1 3 342.487 1.015 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(CN)c1 ZINC000667099611 453404571 /nfs/dbraw/zinc/40/45/71/453404571.db2.gz HVIZHXDMPOVLIM-UHFFFAOYSA-N 1 3 334.464 1.664 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1Cl ZINC000662693692 453413677 /nfs/dbraw/zinc/41/36/77/453413677.db2.gz LJQNYKPTFAEFGU-WFASDCNBSA-N 1 3 341.839 1.583 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000662709900 453434656 /nfs/dbraw/zinc/43/46/56/453434656.db2.gz UQSKPSLJNZYJSX-QUCCMNQESA-N 1 3 343.471 1.287 20 0 EDADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)N(CC)CC ZINC000653260794 453443477 /nfs/dbraw/zinc/44/34/77/453443477.db2.gz LGMBAEGIYQZWAR-QBPKDAKJSA-N 1 3 325.497 1.994 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660634710 453476733 /nfs/dbraw/zinc/47/67/33/453476733.db2.gz SYTAZEULOVYNLS-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000660634710 453476741 /nfs/dbraw/zinc/47/67/41/453476741.db2.gz SYTAZEULOVYNLS-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500264 /nfs/dbraw/zinc/50/02/64/453500264.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 1 3 343.471 1.793 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)C2 ZINC000660663123 453500270 /nfs/dbraw/zinc/50/02/70/453500270.db2.gz NIRLVDLLNQITIS-HXUWFJFHSA-N 1 3 343.471 1.793 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000667264498 453524103 /nfs/dbraw/zinc/52/41/03/453524103.db2.gz OLBLYFWWKQJURE-KRWDZBQOSA-N 1 3 346.475 1.725 20 0 EDADHO CN(C)C[C@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789241 453524504 /nfs/dbraw/zinc/52/45/04/453524504.db2.gz VJABIGPGEAYMJV-LSDHHAIUSA-N 1 3 334.468 1.149 20 0 EDADHO O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000660702514 453525509 /nfs/dbraw/zinc/52/55/09/453525509.db2.gz JVPZEOYLWQAYDT-GOSISDBHSA-N 1 3 334.508 1.892 20 0 EDADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858848 453573625 /nfs/dbraw/zinc/57/36/25/453573625.db2.gz IUYMIIFZECPMEZ-BJLQDIEVSA-N 1 3 345.487 1.777 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873291 453582719 /nfs/dbraw/zinc/58/27/19/453582719.db2.gz WCABDCBNTUNRRK-KZNAEPCWSA-N 1 3 331.460 1.126 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000660821264 453586640 /nfs/dbraw/zinc/58/66/40/453586640.db2.gz BYJHFDZUZWASQJ-GDBMZVCRSA-N 1 3 326.485 1.269 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826186 453589422 /nfs/dbraw/zinc/58/94/22/453589422.db2.gz NRSYSIKRIWAEPE-CZUORRHYSA-N 1 3 328.526 1.596 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCSC1 ZINC000660826186 453589429 /nfs/dbraw/zinc/58/94/29/453589429.db2.gz NRSYSIKRIWAEPE-CZUORRHYSA-N 1 3 328.526 1.596 20 0 EDADHO C[NH+](C)CCOCCNC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659039045 453593220 /nfs/dbraw/zinc/59/32/20/453593220.db2.gz YWEMLHVHSNLGAA-INIZCTEOSA-N 1 3 336.436 1.047 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000665240922 453620665 /nfs/dbraw/zinc/62/06/65/453620665.db2.gz VZHTUVJRTFFQEU-LPHOPBHVSA-N 1 3 332.492 1.650 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973261 453631507 /nfs/dbraw/zinc/63/15/07/453631507.db2.gz XNELQNYXSHLFBL-LPHOPBHVSA-N 1 3 337.508 1.757 20 0 EDADHO CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000659281547 453698695 /nfs/dbraw/zinc/69/86/95/453698695.db2.gz QVGLWNKXTBZHCF-UHFFFAOYSA-N 1 3 332.448 1.449 20 0 EDADHO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCCN2CCN(C(C)C)CC2)C1 ZINC000661216424 453762518 /nfs/dbraw/zinc/76/25/18/453762518.db2.gz RKYCCIPYWSXJJS-IPMKNSEASA-N 1 3 341.540 1.558 20 0 EDADHO Cn1nc(C(F)(F)F)cc1CNCCCC[N@@H+]1CCC[C@H]1CO ZINC000657356805 453774350 /nfs/dbraw/zinc/77/43/50/453774350.db2.gz RVVHLHOUEJTPPT-LBPRGKRZSA-N 1 3 334.386 1.765 20 0 EDADHO Cn1nc(C(F)(F)F)cc1CNCCCC[N@H+]1CCC[C@H]1CO ZINC000657356805 453774351 /nfs/dbraw/zinc/77/43/51/453774351.db2.gz RVVHLHOUEJTPPT-LBPRGKRZSA-N 1 3 334.386 1.765 20 0 EDADHO COCC(C)(C)C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514155 453813893 /nfs/dbraw/zinc/81/38/93/453813893.db2.gz XNQOVPYRYIPQAA-OAHLLOKOSA-N 1 3 335.496 1.671 20 0 EDADHO COCC(C)(C)C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514155 453813894 /nfs/dbraw/zinc/81/38/94/453813894.db2.gz XNQOVPYRYIPQAA-OAHLLOKOSA-N 1 3 335.496 1.671 20 0 EDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000234263344 486651880 /nfs/dbraw/zinc/65/18/80/486651880.db2.gz UFDNMXGAGJCSQG-HUUCEWRRSA-N 1 3 329.485 1.990 20 0 EDADHO C[C@H]1C[N@H+](CCCNCc2ccccc2-n2cncn2)CCCO1 ZINC000683343866 486693222 /nfs/dbraw/zinc/69/32/22/486693222.db2.gz AHEFDANQURPJOY-INIZCTEOSA-N 1 3 329.448 1.858 20 0 EDADHO C[C@H]1C[N@@H+](CCCNCc2ccccc2-n2cncn2)CCCO1 ZINC000683343866 486693226 /nfs/dbraw/zinc/69/32/26/486693226.db2.gz AHEFDANQURPJOY-INIZCTEOSA-N 1 3 329.448 1.858 20 0 EDADHO Brc1cc(CNCCN2CC[NH2+]CC2)cc2c1OCO2 ZINC000414858907 486732683 /nfs/dbraw/zinc/73/26/83/486732683.db2.gz AAIYLBAEQRDNPC-UHFFFAOYSA-N 1 3 342.237 1.173 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cnn1C ZINC000667436577 486781448 /nfs/dbraw/zinc/78/14/48/486781448.db2.gz JCRWUAYBLHVCHN-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1c(C)cnn1C ZINC000667436577 486781454 /nfs/dbraw/zinc/78/14/54/486781454.db2.gz JCRWUAYBLHVCHN-OAHLLOKOSA-N 1 3 336.484 1.608 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000680467578 486783798 /nfs/dbraw/zinc/78/37/98/486783798.db2.gz QMLINZLNAXWHMZ-AWEZNQCLSA-N 1 3 336.484 1.639 20 0 EDADHO CO[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000667642100 486895578 /nfs/dbraw/zinc/89/55/78/486895578.db2.gz OMECPUXYLLZJIE-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO CCS(=O)(=O)NCCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677058281 486967308 /nfs/dbraw/zinc/96/73/08/486967308.db2.gz VRYAOAMGGKQCLN-UHFFFAOYSA-N 1 3 345.553 1.904 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C2CC2)cn1 ZINC000667811070 486976571 /nfs/dbraw/zinc/97/65/71/486976571.db2.gz BZNZHVDFDPVCBT-SFHVURJKSA-N 1 3 347.507 1.635 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C2CC2)cn1 ZINC000667811070 486976577 /nfs/dbraw/zinc/97/65/77/486976577.db2.gz BZNZHVDFDPVCBT-SFHVURJKSA-N 1 3 347.507 1.635 20 0 EDADHO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OCCN(C)C)cc2)C1 ZINC000684420074 487055213 /nfs/dbraw/zinc/05/52/13/487055213.db2.gz HZXDENYUFNSQHX-GOSISDBHSA-N 1 3 333.476 1.975 20 0 EDADHO O[C@@H](C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)CN1CCCC1 ZINC000678895842 487376975 /nfs/dbraw/zinc/37/69/75/487376975.db2.gz UBXAWPQFBAWZFY-LPHOPBHVSA-N 1 3 332.444 1.955 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000675191992 487387420 /nfs/dbraw/zinc/38/74/20/487387420.db2.gz SLRKJHRMKKXAAJ-IRXDYDNUSA-N 1 3 339.528 1.044 20 0 EDADHO CN(C)C(=O)NCCN(C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679391364 487421218 /nfs/dbraw/zinc/42/12/18/487421218.db2.gz UVPANXLZBCCUOE-UHFFFAOYSA-N 1 3 348.491 1.864 20 0 EDADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCN(C)S(C)(=O)=O)CC1 ZINC000675746697 487440950 /nfs/dbraw/zinc/44/09/50/487440950.db2.gz MQQFSBURIVHISQ-WBVHZDCISA-N 1 3 345.553 1.901 20 0 EDADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCN(C)S(C)(=O)=O)CC1 ZINC000675746695 487441058 /nfs/dbraw/zinc/44/10/58/487441058.db2.gz MQQFSBURIVHISQ-NVXWUHKLSA-N 1 3 345.553 1.901 20 0 EDADHO O=C(NCC1CCN(c2ccncc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669550977 485545268 /nfs/dbraw/zinc/54/52/68/485545268.db2.gz ZHYXQEZTMOPRED-AEFFLSMTSA-N 1 3 343.475 1.691 20 0 EDADHO CC[C@@H]1CN(C(=O)NCCCN2CCCO[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000669570885 485591984 /nfs/dbraw/zinc/59/19/84/485591984.db2.gz HVRLZPSLAGOGPP-ARFHVFGLSA-N 1 3 326.485 1.256 20 0 EDADHO CC[C@@H]1CN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC[C@@H]1[NH3+] ZINC000669132477 485721311 /nfs/dbraw/zinc/72/13/11/485721311.db2.gz IGOOQJIPFMQJIQ-AEFFLSMTSA-N 1 3 348.491 1.896 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000669139245 485729995 /nfs/dbraw/zinc/72/99/95/485729995.db2.gz YHZVMJVCNKMFPA-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO NC(=O)C1CCN(Cc2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000584523907 485869870 /nfs/dbraw/zinc/86/98/70/485869870.db2.gz KCIUSGLNTBGWIL-FUHWJXTLSA-N 1 3 330.476 1.923 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236996440 485949512 /nfs/dbraw/zinc/94/95/12/485949512.db2.gz KMEBURLFPIRYHS-QGZVFWFLSA-N 1 3 330.476 1.700 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000344764446 485951526 /nfs/dbraw/zinc/95/15/26/485951526.db2.gz JICAAGIQNWFBMX-OTWHNJEPSA-N 1 3 349.519 1.820 20 0 EDADHO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000450547072 486168228 /nfs/dbraw/zinc/16/82/28/486168228.db2.gz MDNLROVZFXQZPA-VQIMIIECSA-N 1 3 347.503 1.541 20 0 EDADHO [NH3+]C/C=C/CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000669477785 486237750 /nfs/dbraw/zinc/23/77/50/486237750.db2.gz UUAKJICYVOBQCZ-SNAWJCMRSA-N 1 3 326.510 1.552 20 0 EDADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669483833 486249203 /nfs/dbraw/zinc/24/92/03/486249203.db2.gz OTUBPTFNDNQAQB-XWTMOSNGSA-N 1 3 328.460 1.731 20 0 EDADHO CN(CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700952 486482239 /nfs/dbraw/zinc/48/22/39/486482239.db2.gz CJKRSJNQUGQSRC-HXUWFJFHSA-N 1 3 344.503 1.262 20 0 EDADHO C[NH+](C)CCOCCNCc1cc2c(c(Br)c1)OCO2 ZINC000230004630 491236907 /nfs/dbraw/zinc/23/69/07/491236907.db2.gz DMPOZBXQFXIJQL-UHFFFAOYSA-N 1 3 345.237 1.846 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000080153919 491170831 /nfs/dbraw/zinc/17/08/31/491170831.db2.gz ITNKLWDMLFZWCD-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCCN(C)C)CCC[NH+](C)C ZINC000164261839 518178899 /nfs/dbraw/zinc/17/88/99/518178899.db2.gz PZDCKBIHLATTTH-WBVHZDCISA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000339612030 535065726 /nfs/dbraw/zinc/06/57/26/535065726.db2.gz HJQNKIGSISWQPN-JKSUJKDBSA-N 1 3 340.512 1.020 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603663 535595564 /nfs/dbraw/zinc/59/55/64/535595564.db2.gz QLOJQPPXFWMPRD-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603663 535595568 /nfs/dbraw/zinc/59/55/68/535595568.db2.gz QLOJQPPXFWMPRD-HOTGVXAUSA-N 1 3 326.485 1.223 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000262662122 535706510 /nfs/dbraw/zinc/70/65/10/535706510.db2.gz OAPOXHYUNDJAON-WMZOPIPTSA-N 1 3 332.492 1.385 20 0 EDADHO CN(C)CCOc1cnccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000345282556 535917852 /nfs/dbraw/zinc/91/78/52/535917852.db2.gz SCBSBCVWURAGER-UHFFFAOYSA-N 1 3 349.479 1.307 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000236990751 535933698 /nfs/dbraw/zinc/93/36/98/535933698.db2.gz LNLKFCNFXILOGT-VXGBXAGGSA-N 1 3 332.404 1.222 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1 ZINC000342898557 536018020 /nfs/dbraw/zinc/01/80/20/536018020.db2.gz BRTFCLXRYXVZEA-HNNXBMFYSA-N 1 3 325.478 1.640 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262118725 536019505 /nfs/dbraw/zinc/01/95/05/536019505.db2.gz VLKZZGBCHZVXEY-BHYGNILZSA-N 1 3 337.489 1.496 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000734278032 578804647 /nfs/dbraw/zinc/80/46/47/578804647.db2.gz BCJGLVRSOKFWGP-SJORKVTESA-N 1 3 336.480 1.119 20 0 EDADHO O=C(NC1CCN(C[C@@H]2CCCO2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000734278032 578804649 /nfs/dbraw/zinc/80/46/49/578804649.db2.gz BCJGLVRSOKFWGP-SJORKVTESA-N 1 3 336.480 1.119 20 0 EDADHO CN1CCC(NC(=S)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000735982719 578943948 /nfs/dbraw/zinc/94/39/48/578943948.db2.gz LPLIQLVSJKSTQC-CQSZACIVSA-N 1 3 340.537 1.046 20 0 EDADHO CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000736566101 579000401 /nfs/dbraw/zinc/00/04/01/579000401.db2.gz WGVIGAKOSYCIQI-UHFFFAOYSA-N 1 3 340.435 1.336 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)Nc2cnn(CCN(C)C)c2)CC1 ZINC000747555340 579648720 /nfs/dbraw/zinc/64/87/20/579648720.db2.gz AZZAQEJSZADKEV-UHFFFAOYSA-N 1 3 336.484 1.831 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1nc(C)cc1C ZINC000750734676 579778792 /nfs/dbraw/zinc/77/87/92/579778792.db2.gz KRLIFQOXEPIMSE-GOSISDBHSA-N 1 3 349.523 1.765 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCn1nc(C)cc1C ZINC000750734676 579778793 /nfs/dbraw/zinc/77/87/93/579778793.db2.gz KRLIFQOXEPIMSE-GOSISDBHSA-N 1 3 349.523 1.765 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151474 /nfs/dbraw/zinc/15/14/74/580151474.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 1 3 339.524 1.576 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000774296176 580359046 /nfs/dbraw/zinc/35/90/46/580359046.db2.gz FNNKKNXBNJWSEB-USXIJHARSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@H](OC(=O)C1CCN(C)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774296176 580359047 /nfs/dbraw/zinc/35/90/47/580359047.db2.gz FNNKKNXBNJWSEB-USXIJHARSA-N 1 3 330.428 1.919 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C(F)(F)F ZINC000891857935 590658119 /nfs/dbraw/zinc/65/81/19/590658119.db2.gz HVSPRHMYCAZDIA-KWCYVHTRSA-N 1 3 348.413 1.782 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857145 590658315 /nfs/dbraw/zinc/65/83/15/590658315.db2.gz ZAIZIDHIFFXWOY-CVEARBPZSA-N 1 3 340.512 1.565 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892087641 590792011 /nfs/dbraw/zinc/79/20/11/590792011.db2.gz HJURGXSJTLSLLH-LJQANCHMSA-N 1 3 328.460 1.965 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)CC[C@@H]21 ZINC000892119122 590809792 /nfs/dbraw/zinc/80/97/92/590809792.db2.gz MQJGOUCUTMFZNT-NJAFHUGGSA-N 1 3 328.460 1.609 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)CC[C@@H]21 ZINC000892119122 590809797 /nfs/dbraw/zinc/80/97/97/590809797.db2.gz MQJGOUCUTMFZNT-NJAFHUGGSA-N 1 3 328.460 1.609 20 0 EDADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CNCCC1(F)F ZINC000892157218 590828655 /nfs/dbraw/zinc/82/86/55/590828655.db2.gz VJSXGHUYMTXPNR-JSGCOSHPSA-N 1 3 339.390 1.299 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000892210520 590866687 /nfs/dbraw/zinc/86/66/87/590866687.db2.gz MYAQTKOZZHOOLS-HNNXBMFYSA-N 1 3 339.443 1.961 20 0 EDADHO [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000892234982 590879876 /nfs/dbraw/zinc/87/98/76/590879876.db2.gz BNHRAMRDCXZWGV-RQJABVFESA-N 1 3 348.413 1.782 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1c1ccncc1 ZINC000892274876 590905941 /nfs/dbraw/zinc/90/59/41/590905941.db2.gz QZHZRPVFFVKXFU-ZBFHGGJFSA-N 1 3 329.448 1.586 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530690 591060822 /nfs/dbraw/zinc/06/08/22/591060822.db2.gz VDIFFQJZEJHQKC-HKUYNNGSSA-N 1 3 330.476 1.950 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000891642375 591163946 /nfs/dbraw/zinc/16/39/46/591163946.db2.gz YSYTWYGIYPXCAW-DLBZAZTESA-N 1 3 340.537 1.599 20 0 EDADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795996 591182933 /nfs/dbraw/zinc/18/29/33/591182933.db2.gz XTBCHAICEXLOOO-QUCCMNQESA-N 1 3 342.487 1.828 20 0 EDADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4CN3)C2)C1 ZINC000892795996 591182937 /nfs/dbraw/zinc/18/29/37/591182937.db2.gz XTBCHAICEXLOOO-QUCCMNQESA-N 1 3 342.487 1.828 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000892944362 591234370 /nfs/dbraw/zinc/23/43/70/591234370.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000892944362 591234373 /nfs/dbraw/zinc/23/43/73/591234373.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 1 3 326.485 1.128 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc(N(C)C[C@@H]2CCCN2C)n1 ZINC000894251092 591247129 /nfs/dbraw/zinc/24/71/29/591247129.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO CN(C[C@@H]1CCC[N@H+]1C)c1ccnc(N(C)C[C@@H]2CCCN2C)n1 ZINC000894251092 591247132 /nfs/dbraw/zinc/24/71/32/591247132.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 1 3 332.496 1.537 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692383 591250684 /nfs/dbraw/zinc/25/06/84/591250684.db2.gz QPIPFKJCIMWLRY-IAGOWNOFSA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@H+](CC1CCN(C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692383 591250686 /nfs/dbraw/zinc/25/06/86/591250686.db2.gz QPIPFKJCIMWLRY-IAGOWNOFSA-N 1 3 344.471 1.910 20 0 EDADHO COCC[N@@H+](CC1CCN(C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895692383 591250688 /nfs/dbraw/zinc/25/06/88/591250688.db2.gz QPIPFKJCIMWLRY-IAGOWNOFSA-N 1 3 344.471 1.910 20 0 EDADHO Cc1noc2ncc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc12 ZINC000894333275 591281684 /nfs/dbraw/zinc/28/16/84/591281684.db2.gz VOOJIHKCBTYOJZ-SJORKVTESA-N 1 3 330.432 1.999 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000898585407 591423210 /nfs/dbraw/zinc/42/32/10/591423210.db2.gz VKNKEDLLLCFWPG-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000898585407 591423213 /nfs/dbraw/zinc/42/32/13/591423213.db2.gz VKNKEDLLLCFWPG-JKSUJKDBSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000898585490 591423574 /nfs/dbraw/zinc/42/35/74/591423574.db2.gz ZQTFNOMEYKAJBX-YOEHRIQHSA-N 1 3 346.475 1.249 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC000898585490 591423575 /nfs/dbraw/zinc/42/35/75/591423575.db2.gz ZQTFNOMEYKAJBX-YOEHRIQHSA-N 1 3 346.475 1.249 20 0 EDADHO C[C@H]1CCN(CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439295 591451889 /nfs/dbraw/zinc/45/18/89/591451889.db2.gz UMQYSFNUEQOXHT-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439296 591452224 /nfs/dbraw/zinc/45/22/24/591452224.db2.gz UMQYSFNUEQOXHT-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CSC1(CNC(=O)NCCN2CC[C@H](C)C2)CC[NH+](C)CC1 ZINC000894951912 591497593 /nfs/dbraw/zinc/49/75/93/591497593.db2.gz YAQNYCLUIOADTO-AWEZNQCLSA-N 1 3 328.526 1.455 20 0 EDADHO C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000896749208 591602767 /nfs/dbraw/zinc/60/27/67/591602767.db2.gz OQMYMJGBXQGBGL-INIZCTEOSA-N 1 3 336.480 1.119 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000898990121 591627435 /nfs/dbraw/zinc/62/74/35/591627435.db2.gz YJEQUVFRWSAPKK-GVDBMIGSSA-N 1 3 340.512 1.203 20 0 EDADHO CN(C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000895445866 591760766 /nfs/dbraw/zinc/76/07/66/591760766.db2.gz JTEIIJRVEXMUDO-GOSISDBHSA-N 1 3 331.460 1.516 20 0 EDADHO O=C(C1CCN(C2CC2)CC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113961 591786518 /nfs/dbraw/zinc/78/65/18/591786518.db2.gz PGQMVNJMEYJTJB-UHFFFAOYSA-N 1 3 335.492 1.214 20 0 EDADHO CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000898353253 591885495 /nfs/dbraw/zinc/88/54/95/591885495.db2.gz DFVOMYGAZHIGDI-WMLDXEAASA-N 1 3 348.447 1.089 20 0 EDADHO CC[NH+]1CCC(N[C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366977 591892729 /nfs/dbraw/zinc/89/27/29/591892729.db2.gz JIKJFBCVXDYCBA-LBPRGKRZSA-N 1 3 325.844 1.488 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900214852 591945377 /nfs/dbraw/zinc/94/53/77/591945377.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 1 3 339.524 1.708 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900214852 591945380 /nfs/dbraw/zinc/94/53/80/591945380.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 1 3 339.524 1.708 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948210 /nfs/dbraw/zinc/94/82/10/591948210.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 1 3 338.540 1.782 20 0 EDADHO CC(C)N1CCN(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948211 /nfs/dbraw/zinc/94/82/11/591948211.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@H]([NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1)C1(N)CC1 ZINC000902360601 591986144 /nfs/dbraw/zinc/98/61/44/591986144.db2.gz HPUAURRBTWAENL-AWEZNQCLSA-N 1 3 337.489 1.582 20 0 EDADHO CC(C)(C[NH2+][C@@H]1CCNCC(C)(C)C1)[C@H]1COCC12OCCO2 ZINC000902390863 591989986 /nfs/dbraw/zinc/98/99/86/591989986.db2.gz PWKMQCQOIVBYBA-HUUCEWRRSA-N 1 3 326.481 1.770 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900429339 592015892 /nfs/dbraw/zinc/01/58/92/592015892.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 1 3 337.508 1.697 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900429339 592015895 /nfs/dbraw/zinc/01/58/95/592015895.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 1 3 337.508 1.697 20 0 EDADHO CN(C)CCn1nccc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000900550555 592045870 /nfs/dbraw/zinc/04/58/70/592045870.db2.gz ZTYFUFGTQUNCSM-UHFFFAOYSA-N 1 3 329.448 1.801 20 0 EDADHO N=C(NOCc1cnnn1-c1ccccc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807478 592063854 /nfs/dbraw/zinc/06/38/54/592063854.db2.gz HOPURKGMXOHXNS-GOEBONIOSA-N 1 3 342.403 1.129 20 0 EDADHO N=C(NOCc1cnnn1-c1ccccc1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807478 592063856 /nfs/dbraw/zinc/06/38/56/592063856.db2.gz HOPURKGMXOHXNS-GOEBONIOSA-N 1 3 342.403 1.129 20 0 EDADHO COC(=O)c1ccc(CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000902809141 592067711 /nfs/dbraw/zinc/06/77/11/592067711.db2.gz BSURWMZIEBWYSM-LSDHHAIUSA-N 1 3 333.388 1.335 20 0 EDADHO COC(=O)c1ccc(CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000902809141 592067714 /nfs/dbraw/zinc/06/77/14/592067714.db2.gz BSURWMZIEBWYSM-LSDHHAIUSA-N 1 3 333.388 1.335 20 0 EDADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000900882141 592155959 /nfs/dbraw/zinc/15/59/59/592155959.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCN2CCN(C(C)C)CC2)C1 ZINC000900882141 592155961 /nfs/dbraw/zinc/15/59/61/592155961.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431012 592168250 /nfs/dbraw/zinc/16/82/50/592168250.db2.gz CSJTVFDCIHGRJR-CVEARBPZSA-N 1 3 346.475 1.521 20 0 EDADHO COc1ccc(OC)c(CN2CCN(C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903441250 592169915 /nfs/dbraw/zinc/16/99/15/592169915.db2.gz JOEHTROABQWKBW-WBVHZDCISA-N 1 3 333.476 1.949 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903505603 592181927 /nfs/dbraw/zinc/18/19/27/592181927.db2.gz DVECCZGGZDETSJ-FZKCQIBNSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)O1 ZINC000903505603 592181929 /nfs/dbraw/zinc/18/19/29/592181929.db2.gz DVECCZGGZDETSJ-FZKCQIBNSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)O1 ZINC000903505603 592181931 /nfs/dbraw/zinc/18/19/31/592181931.db2.gz DVECCZGGZDETSJ-FZKCQIBNSA-N 1 3 347.425 1.997 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N(C)[C@@H](C)CC(C)C)C2 ZINC000903491946 592184874 /nfs/dbraw/zinc/18/48/74/592184874.db2.gz HEDMKYBCWGVIAR-AFIMGQEJSA-N 1 3 339.480 1.092 20 0 EDADHO C[C@@H]1CN(CC(=O)NCCO[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496941 592188274 /nfs/dbraw/zinc/18/82/74/592188274.db2.gz KTJUXNNPYVDJKE-VQHPVUNQSA-N 1 3 325.497 1.615 20 0 EDADHO C[C@@H]1CN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1CC[NH3+] ZINC000903496983 592188560 /nfs/dbraw/zinc/18/85/60/592188560.db2.gz MEPDGYIPQFBQRW-HZPDHXFCSA-N 1 3 348.466 1.391 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NCc1cccs1 ZINC000903511783 592191400 /nfs/dbraw/zinc/19/14/00/592191400.db2.gz ZROKGWAIEBWQQS-IYBDPMFKSA-N 1 3 348.516 1.265 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NCc1cccs1 ZINC000903511783 592191403 /nfs/dbraw/zinc/19/14/03/592191403.db2.gz ZROKGWAIEBWQQS-IYBDPMFKSA-N 1 3 348.516 1.265 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906652578 592235889 /nfs/dbraw/zinc/23/58/89/592235889.db2.gz MWWNQIHETZHOKG-OAHLLOKOSA-N 1 3 332.448 1.465 20 0 EDADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904392657 592242995 /nfs/dbraw/zinc/24/29/95/592242995.db2.gz WRAJWUZTJNODCG-HNNXBMFYSA-N 1 3 349.523 1.939 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCN1C ZINC000906663057 592245073 /nfs/dbraw/zinc/24/50/73/592245073.db2.gz CMLUICFJCMLMHK-CZUORRHYSA-N 1 3 346.475 1.760 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000901153498 592264201 /nfs/dbraw/zinc/26/42/01/592264201.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000901153498 592264202 /nfs/dbraw/zinc/26/42/02/592264202.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 1 3 325.497 1.317 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901196482 592281826 /nfs/dbraw/zinc/28/18/26/592281826.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 1 3 347.503 1.860 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901196482 592281830 /nfs/dbraw/zinc/28/18/30/592281830.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 1 3 347.503 1.860 20 0 EDADHO COCCOCCN(Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732260 592288497 /nfs/dbraw/zinc/28/84/97/592288497.db2.gz DRZYZTGLBMVRDR-PMACEKPBSA-N 1 3 348.487 1.920 20 0 EDADHO [NH3+]C1(CNC(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)CC1 ZINC000906696719 592294737 /nfs/dbraw/zinc/29/47/37/592294737.db2.gz GNCPQDZIZOIXPZ-UHFFFAOYSA-N 1 3 330.432 1.219 20 0 EDADHO c1nnc([C@@H]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751339 592295476 /nfs/dbraw/zinc/29/54/76/592295476.db2.gz CZQSQYOBARNZPQ-KYJSFNMBSA-N 1 3 331.464 1.561 20 0 EDADHO CN(C)CCOc1cc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)ccn1 ZINC000904628919 592298594 /nfs/dbraw/zinc/29/85/94/592298594.db2.gz XWFQHJGBMCYXPO-BFHYXJOUSA-N 1 3 329.404 1.680 20 0 EDADHO O=C1CCCCN1C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756019 592313443 /nfs/dbraw/zinc/31/34/43/592313443.db2.gz ODOBEIVUHJEAEQ-QGZVFWFLSA-N 1 3 335.492 1.622 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCNCCC23CCOCC3)c1 ZINC000903819512 592331901 /nfs/dbraw/zinc/33/19/01/592331901.db2.gz JLZAHISVTVLEDU-SFHVURJKSA-N 1 3 348.487 1.888 20 0 EDADHO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCNCCC23CCOCC3)c1 ZINC000903819512 592331906 /nfs/dbraw/zinc/33/19/06/592331906.db2.gz JLZAHISVTVLEDU-SFHVURJKSA-N 1 3 348.487 1.888 20 0 EDADHO CCOC(=O)N1CCC([NH2+]C[C@H](CN)Cc2cnn(C)c2C)CC1 ZINC000903922470 592377860 /nfs/dbraw/zinc/37/78/60/592377860.db2.gz XOGGGRBIWNCZFJ-AWEZNQCLSA-N 1 3 337.468 1.056 20 0 EDADHO CCOC(=O)N1CCC(NC[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903922470 592377864 /nfs/dbraw/zinc/37/78/64/592377864.db2.gz XOGGGRBIWNCZFJ-AWEZNQCLSA-N 1 3 337.468 1.056 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@H]1CCN(c2ccccc2)C1 ZINC000903923406 592378520 /nfs/dbraw/zinc/37/85/20/592378520.db2.gz SVSHAVZWTRARKW-RDJZCZTQSA-N 1 3 326.448 1.571 20 0 EDADHO COc1ccc(CCNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1OC ZINC000903925552 592379854 /nfs/dbraw/zinc/37/98/54/592379854.db2.gz NVOKEPKVGQZPBW-HNNXBMFYSA-N 1 3 345.447 1.552 20 0 EDADHO C[C@]1(CNC[C@@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243990 592474790 /nfs/dbraw/zinc/47/47/90/592474790.db2.gz NYPWUBKCHDTZCX-RTBURBONSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@]1(CNC[C@@H](O)C2(O)CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000905243990 592474792 /nfs/dbraw/zinc/47/47/92/592474792.db2.gz NYPWUBKCHDTZCX-RTBURBONSA-N 1 3 348.487 1.391 20 0 EDADHO C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCc2ccccc2C1 ZINC000906029116 592720603 /nfs/dbraw/zinc/72/06/03/592720603.db2.gz HMAZPLRRHSRKIW-INIZCTEOSA-N 1 3 344.503 1.043 20 0 EDADHO C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCc2ccccc2C1 ZINC000906029116 592720607 /nfs/dbraw/zinc/72/06/07/592720607.db2.gz HMAZPLRRHSRKIW-INIZCTEOSA-N 1 3 344.503 1.043 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)N(C)C ZINC000907632836 592734462 /nfs/dbraw/zinc/73/44/62/592734462.db2.gz AFMGLYVYEZLPMS-VDGAXYAQSA-N 1 3 347.503 1.949 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)N(C)C ZINC000907632836 592734463 /nfs/dbraw/zinc/73/44/63/592734463.db2.gz AFMGLYVYEZLPMS-VDGAXYAQSA-N 1 3 347.503 1.949 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000907614985 592741212 /nfs/dbraw/zinc/74/12/12/592741212.db2.gz SLSASRJAAWYUPL-UHFFFAOYSA-N 1 3 338.540 1.735 20 0 EDADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218253 592760519 /nfs/dbraw/zinc/76/05/19/592760519.db2.gz ILJGOAZHUJXMEG-HNNXBMFYSA-N 1 3 333.480 1.151 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000906489359 592830912 /nfs/dbraw/zinc/83/09/12/592830912.db2.gz SQERBSKWGPHGNG-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000906489359 592830915 /nfs/dbraw/zinc/83/09/15/592830915.db2.gz SQERBSKWGPHGNG-GVDBMIGSSA-N 1 3 325.497 1.676 20 0 EDADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(N2CCCOCC2)CC1 ZINC000910366810 592845548 /nfs/dbraw/zinc/84/55/48/592845548.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 1 3 335.492 1.717 20 0 EDADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCC(N2CCCOCC2)CC1 ZINC000910366810 592845550 /nfs/dbraw/zinc/84/55/50/592845550.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 1 3 335.492 1.717 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000910366183 592845659 /nfs/dbraw/zinc/84/56/59/592845659.db2.gz CNCRCNMFDBLYAM-KRWDZBQOSA-N 1 3 337.508 1.822 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(N3CCCOCC3)CC2)C1 ZINC000910366183 592845661 /nfs/dbraw/zinc/84/56/61/592845661.db2.gz CNCRCNMFDBLYAM-KRWDZBQOSA-N 1 3 337.508 1.822 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(COC)c3)CC2)CC1 ZINC000910630815 592880964 /nfs/dbraw/zinc/88/09/64/592880964.db2.gz FJJBOZIJJOGZAT-UHFFFAOYSA-N 1 3 349.479 1.622 20 0 EDADHO CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](N)C(C)(C)C1)CC(C)C ZINC000911068430 592919433 /nfs/dbraw/zinc/91/94/33/592919433.db2.gz KSOYRLQVHVDOTI-GJZGRUSLSA-N 1 3 340.512 1.055 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC000911633407 592970916 /nfs/dbraw/zinc/97/09/16/592970916.db2.gz SKUOHWKKXZOEGM-XDNAFOTISA-N 1 3 331.460 1.705 20 0 EDADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1NCC[C@@H]2CCCC[C@@H]12 ZINC000911734488 592992243 /nfs/dbraw/zinc/99/22/43/592992243.db2.gz CJOWRYIQKPWRTD-YXJHDRRASA-N 1 3 343.475 1.598 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)COCc3ccccn3)CC2)CC1 ZINC000806709136 593110926 /nfs/dbraw/zinc/11/09/26/593110926.db2.gz GGRLNJJMPJFQDD-UHFFFAOYSA-N 1 3 346.475 1.273 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(F)cn3)CC2)CC1 ZINC000806710999 593110936 /nfs/dbraw/zinc/11/09/36/593110936.db2.gz ZCDAMVWRAHYLSP-UHFFFAOYSA-N 1 3 334.439 1.438 20 0 EDADHO N[C@@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859062 593641791 /nfs/dbraw/zinc/64/17/91/593641791.db2.gz OQWKVESHNNOKMS-JKSUJKDBSA-N 1 3 331.416 1.661 20 0 EDADHO COC(=O)N1CCC[C@H](NC[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000819004371 593733530 /nfs/dbraw/zinc/73/35/30/593733530.db2.gz YVUKTOGNOBAOFT-DLBZAZTESA-N 1 3 335.448 1.300 20 0 EDADHO COC(=O)N1CCC[C@H](NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000819004371 593733531 /nfs/dbraw/zinc/73/35/31/593733531.db2.gz YVUKTOGNOBAOFT-DLBZAZTESA-N 1 3 335.448 1.300 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCCCC1 ZINC000820074096 593788590 /nfs/dbraw/zinc/78/85/90/593788590.db2.gz GMLVMAJBTJHZLA-DOTOQJQBSA-N 1 3 342.528 1.499 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H](O)C1CCCCC1 ZINC000820074096 593788591 /nfs/dbraw/zinc/78/85/91/593788591.db2.gz GMLVMAJBTJHZLA-DOTOQJQBSA-N 1 3 342.528 1.499 20 0 EDADHO C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821584631 593869652 /nfs/dbraw/zinc/86/96/52/593869652.db2.gz LYLBDCSDBMBAMW-QGZVFWFLSA-N 1 3 344.463 1.564 20 0 EDADHO CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCO1 ZINC000824825616 594080625 /nfs/dbraw/zinc/08/06/25/594080625.db2.gz CDCZCIACVFKLTI-ULQDDVLXSA-N 1 3 327.513 1.826 20 0 EDADHO CC(C)[C@@H]1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCO1 ZINC000824825616 594080627 /nfs/dbraw/zinc/08/06/27/594080627.db2.gz CDCZCIACVFKLTI-ULQDDVLXSA-N 1 3 327.513 1.826 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(CCCCC[NH3+])n3)cn2)CC1 ZINC000822950858 594127337 /nfs/dbraw/zinc/12/73/37/594127337.db2.gz DCRAIAYYUCHZBW-UHFFFAOYSA-N 1 3 344.463 1.945 20 0 EDADHO CN1CCCN(c2ccc(-c3noc([C@@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000822951610 594127909 /nfs/dbraw/zinc/12/79/09/594127909.db2.gz VMCXXOHFNYPYIG-OAHLLOKOSA-N 1 3 342.447 1.741 20 0 EDADHO [NH3+]CCCCCC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000828756889 594496328 /nfs/dbraw/zinc/49/63/28/594496328.db2.gz QMGPFRAEHLSTMT-UHFFFAOYSA-N 1 3 333.476 1.779 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCCCCCC[NH3+])CC1 ZINC000831127327 594563406 /nfs/dbraw/zinc/56/34/06/594563406.db2.gz KTQUADKFMJOJFA-UHFFFAOYSA-N 1 3 328.501 1.694 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658237 /nfs/dbraw/zinc/65/82/37/594658237.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 1 3 327.472 1.987 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)CCN3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658238 /nfs/dbraw/zinc/65/82/38/594658238.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 1 3 327.472 1.987 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000841017927 594839945 /nfs/dbraw/zinc/83/99/45/594839945.db2.gz LKRWJLDFVCAGOK-MAUKXSAKSA-N 1 3 345.491 1.948 20 0 EDADHO c1nn(-c2ccccc2)nc1CNC1CCC([NH+]2CCNCC2)CC1 ZINC000841088266 594849672 /nfs/dbraw/zinc/84/96/72/594849672.db2.gz ZPCKCOUMJSPTAG-UHFFFAOYSA-N 1 3 340.475 1.573 20 0 EDADHO c1nn(-c2ccccc2)nc1CNC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088266 594849675 /nfs/dbraw/zinc/84/96/75/594849675.db2.gz ZPCKCOUMJSPTAG-UHFFFAOYSA-N 1 3 340.475 1.573 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000841096539 594850433 /nfs/dbraw/zinc/85/04/33/594850433.db2.gz ZSJATGCKQVXSTA-DNVCBOLYSA-N 1 3 341.455 1.660 20 0 EDADHO COc1cc(NC(=S)NCCN(C)C)ccc1OCC[NH+](C)C ZINC000841484878 594907443 /nfs/dbraw/zinc/90/74/43/594907443.db2.gz NAWMBTLIGDMYPN-UHFFFAOYSA-N 1 3 340.493 1.484 20 0 EDADHO CCCN[C@@H](C)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847043 594964298 /nfs/dbraw/zinc/96/42/98/594964298.db2.gz QECYPILRCUEKAK-KBPBESRZSA-N 1 3 333.432 1.922 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc(Cl)n1 ZINC000841852098 594965670 /nfs/dbraw/zinc/96/56/70/594965670.db2.gz DBHRDDVXTPELRA-GHMZBOCLSA-N 1 3 332.782 1.547 20 0 EDADHO CN(C)C(=O)c1cccc(NC(=O)CN(C)C2CCC([NH3+])CC2)c1 ZINC000843355068 595085438 /nfs/dbraw/zinc/08/54/38/595085438.db2.gz KYNAKGXNOSHQLN-UHFFFAOYSA-N 1 3 332.448 1.529 20 0 EDADHO CN(C)c1ccc(NC(=O)CC[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000843062408 595277820 /nfs/dbraw/zinc/27/78/20/595277820.db2.gz PKVLMIJNRXDXMV-SFHVURJKSA-N 1 3 348.491 1.518 20 0 EDADHO O=C(CO[C@@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000844166901 595288928 /nfs/dbraw/zinc/28/89/28/595288928.db2.gz VMDOSJBECMLEKR-GOSISDBHSA-N 1 3 331.460 1.536 20 0 EDADHO CN(C)CCOc1ccc(N(C)C(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000844182148 595294476 /nfs/dbraw/zinc/29/44/76/595294476.db2.gz GAHIELFFVOJVKW-KRWDZBQOSA-N 1 3 335.448 1.358 20 0 EDADHO CN(C(=O)[C@@H]1CNCCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183147 595294895 /nfs/dbraw/zinc/29/48/95/595294895.db2.gz UJJKKQCPXJNBNR-HNNXBMFYSA-N 1 3 341.402 1.835 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000846726225 595308258 /nfs/dbraw/zinc/30/82/58/595308258.db2.gz SSEQNIANCSEEJM-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000846726225 595308259 /nfs/dbraw/zinc/30/82/59/595308259.db2.gz SSEQNIANCSEEJM-MRXNPFEDSA-N 1 3 340.512 1.071 20 0 EDADHO CN(C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCCCCC1 ZINC000849053242 595475647 /nfs/dbraw/zinc/47/56/47/595475647.db2.gz PXFWSGLHKADOJT-UHFFFAOYSA-N 1 3 339.528 1.477 20 0 EDADHO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000849094813 595481009 /nfs/dbraw/zinc/48/10/09/595481009.db2.gz GZUBFWABMURRNM-OAHLLOKOSA-N 1 3 346.475 1.388 20 0 EDADHO O[C@@H]1C[C@H](NC2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529506 595529391 /nfs/dbraw/zinc/52/93/91/595529391.db2.gz QRVWCCFMKWOXQB-VQTJNVASSA-N 1 3 345.487 1.551 20 0 EDADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562408 /nfs/dbraw/zinc/56/24/08/595562408.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 1 3 347.507 1.256 20 0 EDADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562409 /nfs/dbraw/zinc/56/24/09/595562409.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 1 3 347.507 1.256 20 0 EDADHO Cc1ccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000852862629 595583351 /nfs/dbraw/zinc/58/33/51/595583351.db2.gz DXBGCGMHNHNCEZ-RDJZCZTQSA-N 1 3 330.432 1.352 20 0 EDADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852872654 595591374 /nfs/dbraw/zinc/59/13/74/595591374.db2.gz PTHIEVNNKMFTJW-CZUORRHYSA-N 1 3 346.431 1.449 20 0 EDADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](CN)C3)cc2)C1 ZINC000852872654 595591377 /nfs/dbraw/zinc/59/13/77/595591377.db2.gz PTHIEVNNKMFTJW-CZUORRHYSA-N 1 3 346.431 1.449 20 0 EDADHO CCN1CCC[C@@H]1CNC(=S)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000853052583 595650851 /nfs/dbraw/zinc/65/08/51/595650851.db2.gz WYUFJYSHVMUFAT-HZPDHXFCSA-N 1 3 342.553 1.388 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000855346280 595680285 /nfs/dbraw/zinc/68/02/85/595680285.db2.gz VDUCQFRFHZYHFT-ZDUSSCGKSA-N 1 3 334.464 1.278 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000855346280 595680289 /nfs/dbraw/zinc/68/02/89/595680289.db2.gz VDUCQFRFHZYHFT-ZDUSSCGKSA-N 1 3 334.464 1.278 20 0 EDADHO Cn1cc(CNCCCC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000858096978 595699113 /nfs/dbraw/zinc/69/91/13/595699113.db2.gz VRIASRIWIRSTPK-UHFFFAOYSA-N 1 3 344.301 1.300 20 0 EDADHO CCN1CCN(CC[Si](C)(C)CC[NH+]2CCN(CC)CC2)CC1 ZINC000859063721 595966022 /nfs/dbraw/zinc/96/60/22/595966022.db2.gz NXEYDAWDBNBNQI-UHFFFAOYSA-N 1 3 340.632 1.970 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032277 /nfs/dbraw/zinc/03/22/77/596032277.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 1 3 346.475 1.511 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032282 /nfs/dbraw/zinc/03/22/82/596032282.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 1 3 346.475 1.511 20 0 EDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1NCCc3ccccc31)C2 ZINC000861643941 596055109 /nfs/dbraw/zinc/05/51/09/596055109.db2.gz QLQYSMNYXLBYAG-QRQLOZEOSA-N 1 3 328.460 1.514 20 0 EDADHO Cn1cc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000856768107 596076767 /nfs/dbraw/zinc/07/67/67/596076767.db2.gz OVLUTZYDPGYMHQ-UHFFFAOYSA-N 1 3 348.882 1.770 20 0 EDADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861712662 596077197 /nfs/dbraw/zinc/07/71/97/596077197.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 1 3 335.492 1.309 20 0 EDADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861712662 596077199 /nfs/dbraw/zinc/07/71/99/596077199.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 1 3 335.492 1.309 20 0 EDADHO COC(=O)/C=C/c1ccc(OCCN(C)CCN2CC[NH2+]CC2)cc1 ZINC000866659645 596283322 /nfs/dbraw/zinc/28/33/22/596283322.db2.gz QKTWEPBQPNPDEC-VMPITWQZSA-N 1 3 347.459 1.089 20 0 EDADHO Cc1ccc(OCCN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706807 596302277 /nfs/dbraw/zinc/30/22/77/596302277.db2.gz DNRHBGDYZAQOJR-OIISXLGYSA-N 1 3 331.416 1.241 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=S)NCCN(C)C ZINC000865243840 596521795 /nfs/dbraw/zinc/52/17/95/596521795.db2.gz SZHBCFPTELPJLC-DOTOQJQBSA-N 1 3 334.533 1.780 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=S)NCCN(C)C ZINC000865243840 596521796 /nfs/dbraw/zinc/52/17/96/596521796.db2.gz SZHBCFPTELPJLC-DOTOQJQBSA-N 1 3 334.533 1.780 20 0 EDADHO COCCN(CC1CC[NH+](C)CC1)C(=O)C1CCN(C2CC2)CC1 ZINC000869761815 596620966 /nfs/dbraw/zinc/62/09/66/596620966.db2.gz AAJRMLZLWSDPFX-UHFFFAOYSA-N 1 3 337.508 1.678 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868041495 596665689 /nfs/dbraw/zinc/66/56/89/596665689.db2.gz ZAFXFTJHHCHVHX-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868041495 596665692 /nfs/dbraw/zinc/66/56/92/596665692.db2.gz ZAFXFTJHHCHVHX-QZTJIDSGSA-N 1 3 330.476 1.984 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000872256211 596856280 /nfs/dbraw/zinc/85/62/80/596856280.db2.gz QTGUJAIRPPFPQM-YQYZPQCESA-N 1 3 343.427 1.420 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCS1 ZINC000875712518 596956346 /nfs/dbraw/zinc/95/63/46/596956346.db2.gz FYQSYWNWIGBDIJ-LSDHHAIUSA-N 1 3 330.542 1.843 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CCCS1 ZINC000875712518 596956348 /nfs/dbraw/zinc/95/63/48/596956348.db2.gz FYQSYWNWIGBDIJ-LSDHHAIUSA-N 1 3 330.542 1.843 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876517937 597227884 /nfs/dbraw/zinc/22/78/84/597227884.db2.gz HHBNJUGRUQXIMW-IBGZPJMESA-N 1 3 340.471 1.263 20 0 EDADHO c1c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)sc2c1CNCC2 ZINC000873207404 597227916 /nfs/dbraw/zinc/22/79/16/597227916.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 1 3 335.517 1.938 20 0 EDADHO c1c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)sc2c1CNCC2 ZINC000873207404 597227920 /nfs/dbraw/zinc/22/79/20/597227920.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 1 3 335.517 1.938 20 0 EDADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000873227096 597234344 /nfs/dbraw/zinc/23/43/44/597234344.db2.gz GTIAKHYBEFNJHE-TWMKSMIVSA-N 1 3 325.497 1.492 20 0 EDADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000873227096 597234347 /nfs/dbraw/zinc/23/43/47/597234347.db2.gz GTIAKHYBEFNJHE-TWMKSMIVSA-N 1 3 325.497 1.492 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873329241 597258200 /nfs/dbraw/zinc/25/82/00/597258200.db2.gz ULAUCYPRTMGGTF-OAHLLOKOSA-N 1 3 348.495 1.879 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876782480 597338373 /nfs/dbraw/zinc/33/83/73/597338373.db2.gz SQKRVWCZUNNRET-UHFFFAOYSA-N 1 3 329.448 1.304 20 0 EDADHO Cn1ncc(CN)c1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000876834396 597353793 /nfs/dbraw/zinc/35/37/93/597353793.db2.gz PSBCNMNARKFYNB-UHFFFAOYSA-N 1 3 327.310 1.609 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876849232 597358472 /nfs/dbraw/zinc/35/84/72/597358472.db2.gz YHZIVPKPBCMQRA-JSGCOSHPSA-N 1 3 329.366 1.556 20 0 EDADHO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000877389627 597507573 /nfs/dbraw/zinc/50/75/73/597507573.db2.gz FFNSBZZHPQTXMH-SCTDSRPQSA-N 1 3 328.460 1.694 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877391141 597507931 /nfs/dbraw/zinc/50/79/31/597507931.db2.gz NIXIPCREERNQLA-UYAOXDASSA-N 1 3 342.487 1.843 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000879558326 597631554 /nfs/dbraw/zinc/63/15/54/597631554.db2.gz IRGAMDZJPJMSDX-CABCVRRESA-N 1 3 325.522 1.660 20 0 EDADHO Cc1nc(C)c(CN2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435871 597745891 /nfs/dbraw/zinc/74/58/91/597745891.db2.gz FDKUMISHQSVKFT-HNNXBMFYSA-N 1 3 344.463 1.804 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000916654393 696710584 /nfs/dbraw/zinc/71/05/84/696710584.db2.gz WSMGZRKHJHDYMK-MAUKXSAKSA-N 1 3 348.491 1.909 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000916658698 696713612 /nfs/dbraw/zinc/71/36/12/696713612.db2.gz VJOCRMVWJTWSGQ-NZSAHSFTSA-N 1 3 344.503 1.943 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000916658698 696713613 /nfs/dbraw/zinc/71/36/13/696713613.db2.gz VJOCRMVWJTWSGQ-NZSAHSFTSA-N 1 3 344.503 1.943 20 0 EDADHO Cc1ncc(CNC[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014316 699967029 /nfs/dbraw/zinc/96/70/29/699967029.db2.gz KTOJFYTXWODUGT-HOTGVXAUSA-N 1 3 346.475 1.986 20 0 EDADHO C[NH+](C)C1(CNC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000914192058 695267747 /nfs/dbraw/zinc/26/77/47/695267747.db2.gz MLXQLJZYDMFVIM-UHFFFAOYSA-N 1 3 340.537 1.741 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000914411090 695392408 /nfs/dbraw/zinc/39/24/08/695392408.db2.gz DMMNKNCCUKCMOA-HOCLYGCPSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C1)N1CCCC1 ZINC001015497811 695545270 /nfs/dbraw/zinc/54/52/70/695545270.db2.gz GMVJKXAUEVGNSJ-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C1)N1CCCC1 ZINC001015497811 695545271 /nfs/dbraw/zinc/54/52/71/695545271.db2.gz GMVJKXAUEVGNSJ-QGZVFWFLSA-N 1 3 337.508 1.868 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCc1cnn(C)c1 ZINC000993759477 696352425 /nfs/dbraw/zinc/35/24/25/696352425.db2.gz LHSNJUIKJXPZCX-QAPCUYQASA-N 1 3 347.507 1.274 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCCN1CCCF ZINC000993984843 696482082 /nfs/dbraw/zinc/48/20/82/696482082.db2.gz JIBKBADJRMQDQT-ZBFHGGJFSA-N 1 3 339.459 1.387 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031667128 697448571 /nfs/dbraw/zinc/44/85/71/697448571.db2.gz ZBFXZOIZPBPHGI-OAHLLOKOSA-N 1 3 329.435 1.953 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031667128 697448573 /nfs/dbraw/zinc/44/85/73/697448573.db2.gz ZBFXZOIZPBPHGI-OAHLLOKOSA-N 1 3 329.435 1.953 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031667127 697448650 /nfs/dbraw/zinc/44/86/50/697448650.db2.gz ZBFXZOIZPBPHGI-HNNXBMFYSA-N 1 3 329.435 1.953 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC2CC(F)(F)C2)C1 ZINC001031667127 697448652 /nfs/dbraw/zinc/44/86/52/697448652.db2.gz ZBFXZOIZPBPHGI-HNNXBMFYSA-N 1 3 329.435 1.953 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031689727 697531812 /nfs/dbraw/zinc/53/18/12/697531812.db2.gz YNZAMKWKSVPYGJ-NVXWUHKLSA-N 1 3 349.500 1.202 20 0 EDADHO O=C(NCC1CN(CCc2cccs2)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001031689727 697531815 /nfs/dbraw/zinc/53/18/15/697531815.db2.gz YNZAMKWKSVPYGJ-NVXWUHKLSA-N 1 3 349.500 1.202 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475730 701551598 /nfs/dbraw/zinc/55/15/98/701551598.db2.gz YDGZBDINISAVEB-UHFFFAOYSA-N 1 3 334.508 1.099 20 0 EDADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128758 699207451 /nfs/dbraw/zinc/20/74/51/699207451.db2.gz PBKBQNNSKYCDSQ-ZBFHGGJFSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129772 699227184 /nfs/dbraw/zinc/22/71/84/699227184.db2.gz ZHARRKBPPGBUTB-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604413 701593733 /nfs/dbraw/zinc/59/37/33/701593733.db2.gz YXQOXXXXDOOCMZ-MJGOQNOKSA-N 1 3 348.535 1.488 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941604413 701593734 /nfs/dbraw/zinc/59/37/34/701593734.db2.gz YXQOXXXXDOOCMZ-MJGOQNOKSA-N 1 3 348.535 1.488 20 0 EDADHO Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C)cn1 ZINC000939397903 699547478 /nfs/dbraw/zinc/54/74/78/699547478.db2.gz NJMYQKBADOJWOB-MAUKXSAKSA-N 1 3 345.491 1.453 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H](NCc3cnn(C)c3)C2)CC1 ZINC000939452577 699584249 /nfs/dbraw/zinc/58/42/49/699584249.db2.gz AALSFPZIOSEUIC-MAUKXSAKSA-N 1 3 347.507 1.477 20 0 EDADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCc1ccnn1C ZINC000939810545 699958906 /nfs/dbraw/zinc/95/89/06/699958906.db2.gz NNHUOUMDJFQTRK-WBVHZDCISA-N 1 3 333.480 1.233 20 0 EDADHO Cn1nncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC000995054476 700416787 /nfs/dbraw/zinc/41/67/87/700416787.db2.gz LZRJNCRNGJYLPN-GJZGRUSLSA-N 1 3 348.495 1.064 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)Cc3c[nH]cn3)CC2)cn1 ZINC000940356511 700518101 /nfs/dbraw/zinc/51/81/01/700518101.db2.gz QPQSWERSFWBMEQ-UHFFFAOYSA-N 1 3 328.420 1.222 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940426308 700620246 /nfs/dbraw/zinc/62/02/46/700620246.db2.gz PCSNQQIMSYIKED-MRXNPFEDSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1C ZINC000940426308 700620248 /nfs/dbraw/zinc/62/02/48/700620248.db2.gz PCSNQQIMSYIKED-MRXNPFEDSA-N 1 3 347.507 1.541 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426272 700620258 /nfs/dbraw/zinc/62/02/58/700620258.db2.gz MQFGSBNERPQYPU-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1ncc(CNC2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940426272 700620259 /nfs/dbraw/zinc/62/02/59/700620259.db2.gz MQFGSBNERPQYPU-HNNXBMFYSA-N 1 3 334.464 1.796 20 0 EDADHO CC1(NCc2cnns2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427541 700621653 /nfs/dbraw/zinc/62/16/53/700621653.db2.gz IPASEKNLZSWPDB-UHFFFAOYSA-N 1 3 335.477 1.105 20 0 EDADHO CCn1ccc(CNC[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082812 700727061 /nfs/dbraw/zinc/72/70/61/700727061.db2.gz ZTRAPSQKFRWGRA-RDJZCZTQSA-N 1 3 347.507 1.619 20 0 EDADHO CO[C@@H](C)CN1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979256 702054128 /nfs/dbraw/zinc/05/41/28/702054128.db2.gz UVLJIVHGFDRXLY-HNNXBMFYSA-N 1 3 333.476 1.487 20 0 EDADHO Cc1ncc(CN[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895626 702199232 /nfs/dbraw/zinc/19/92/32/702199232.db2.gz LWSLJDUIULBUSL-IRXDYDNUSA-N 1 3 345.491 1.452 20 0 EDADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)N(C)C ZINC000996246156 702649779 /nfs/dbraw/zinc/64/97/79/702649779.db2.gz KNQFYRZNKNYZDF-DLBZAZTESA-N 1 3 349.523 1.375 20 0 EDADHO Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)n1 ZINC000996357596 702734547 /nfs/dbraw/zinc/73/45/47/702734547.db2.gz YZLCKCVVAGQFMJ-MRXNPFEDSA-N 1 3 344.463 1.292 20 0 EDADHO Cc1ncoc1CNC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560994 702874826 /nfs/dbraw/zinc/87/48/26/702874826.db2.gz MQPLDBCICWHXBS-INIZCTEOSA-N 1 3 332.448 1.405 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996610135 702921193 /nfs/dbraw/zinc/92/11/93/702921193.db2.gz YSPYXMNCYSXOTM-GDBMZVCRSA-N 1 3 348.491 1.966 20 0 EDADHO CCc1nc(C)c(CNC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000996610135 702921195 /nfs/dbraw/zinc/92/11/95/702921195.db2.gz YSPYXMNCYSXOTM-GDBMZVCRSA-N 1 3 348.491 1.966 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)nn1 ZINC000996667254 702964127 /nfs/dbraw/zinc/96/41/27/702964127.db2.gz YWFKOSKFPFLWFI-UHFFFAOYSA-N 1 3 347.463 1.050 20 0 EDADHO C[C@@H](NC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996688382 702985763 /nfs/dbraw/zinc/98/57/63/702985763.db2.gz IIQSGLJUMOUVAO-NVXWUHKLSA-N 1 3 345.491 1.993 20 0 EDADHO C[C@@H](NC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1)c1cnccn1 ZINC000996688382 702985765 /nfs/dbraw/zinc/98/57/65/702985765.db2.gz IIQSGLJUMOUVAO-NVXWUHKLSA-N 1 3 345.491 1.993 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)N(C)C ZINC000996689055 702986396 /nfs/dbraw/zinc/98/63/96/702986396.db2.gz RFPKBUVUPAVRCL-KRWDZBQOSA-N 1 3 336.455 1.888 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)N(C)C ZINC000996713479 703008630 /nfs/dbraw/zinc/00/86/30/703008630.db2.gz VJFCIKIHKISJKL-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026391 703053516 /nfs/dbraw/zinc/05/35/16/703053516.db2.gz CUTIMHPQBROWLJ-ROUUACIJSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cn1 ZINC000996997732 703254650 /nfs/dbraw/zinc/25/46/50/703254650.db2.gz GFDCBIQMDOMCBH-CVEARBPZSA-N 1 3 345.491 1.911 20 0 EDADHO C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)O1 ZINC000997000224 703257130 /nfs/dbraw/zinc/25/71/30/703257130.db2.gz OELYPGIIUCGDNJ-RDJZCZTQSA-N 1 3 337.508 1.866 20 0 EDADHO Cn1cc(CC[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cn1 ZINC000997003032 703259510 /nfs/dbraw/zinc/25/95/10/703259510.db2.gz YNCYNULSOUWIAD-UHFFFAOYSA-N 1 3 347.507 1.275 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996996682 703259791 /nfs/dbraw/zinc/25/97/91/703259791.db2.gz YAWIHMZRMTXRHG-MRXNPFEDSA-N 1 3 330.476 1.955 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005295 703262453 /nfs/dbraw/zinc/26/24/53/703262453.db2.gz DHHWKBAHWGWRAY-MAUKXSAKSA-N 1 3 347.507 1.742 20 0 EDADHO CC(C)n1ccc(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005295 703262454 /nfs/dbraw/zinc/26/24/54/703262454.db2.gz DHHWKBAHWGWRAY-MAUKXSAKSA-N 1 3 347.507 1.742 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006477 703263820 /nfs/dbraw/zinc/26/38/20/703263820.db2.gz MDLPFWRBOVOZAX-VQIMIIECSA-N 1 3 345.487 1.642 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)s1 ZINC000997008615 703266743 /nfs/dbraw/zinc/26/67/43/703266743.db2.gz VTHQTCHOOPVHFL-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)s1 ZINC000997008615 703266745 /nfs/dbraw/zinc/26/67/45/703266745.db2.gz VTHQTCHOOPVHFL-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1)N(C)C ZINC000997014612 703273814 /nfs/dbraw/zinc/27/38/14/703273814.db2.gz INGCTOVNAQPHAH-KRWDZBQOSA-N 1 3 335.496 1.885 20 0 EDADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000997037085 703288618 /nfs/dbraw/zinc/28/86/18/703288618.db2.gz SNBOFJMOXZBEMI-QGZVFWFLSA-N 1 3 346.406 1.406 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090962 703328572 /nfs/dbraw/zinc/32/85/72/703328572.db2.gz CBAGZOMMSUTRNR-ZWKOTPCHSA-N 1 3 345.491 1.518 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)n1 ZINC000997090962 703328574 /nfs/dbraw/zinc/32/85/74/703328574.db2.gz CBAGZOMMSUTRNR-ZWKOTPCHSA-N 1 3 345.491 1.518 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997298333 703556163 /nfs/dbraw/zinc/55/61/63/703556163.db2.gz IMDMMHTWBGCIGU-AWEZNQCLSA-N 1 3 332.448 1.584 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3cc(C4CC4)no3)CC2)C1 ZINC000997298333 703556165 /nfs/dbraw/zinc/55/61/65/703556165.db2.gz IMDMMHTWBGCIGU-AWEZNQCLSA-N 1 3 332.448 1.584 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000997831600 704749776 /nfs/dbraw/zinc/74/97/76/704749776.db2.gz VUXDUKJAIVXHLD-KRWDZBQOSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)C1 ZINC000998081225 705301314 /nfs/dbraw/zinc/30/13/14/705301314.db2.gz HEBSCLPHEZKXLN-HNNXBMFYSA-N 1 3 333.480 1.090 20 0 EDADHO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998081637 705302984 /nfs/dbraw/zinc/30/29/84/705302984.db2.gz KXOVAYVNJAYXNC-HNNXBMFYSA-N 1 3 347.507 1.541 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998082660 705310292 /nfs/dbraw/zinc/31/02/92/705310292.db2.gz RYMMIWWZBRRQJQ-MRXNPFEDSA-N 1 3 330.476 1.894 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998216602 705539141 /nfs/dbraw/zinc/53/91/41/705539141.db2.gz IACIRHYVQMWEIX-KRWDZBQOSA-N 1 3 347.507 1.573 20 0 EDADHO CCn1ccnc1CNCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998216602 705539145 /nfs/dbraw/zinc/53/91/45/705539145.db2.gz IACIRHYVQMWEIX-KRWDZBQOSA-N 1 3 347.507 1.573 20 0 EDADHO Cc1nc(CNCC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000998265295 705632126 /nfs/dbraw/zinc/63/21/26/705632126.db2.gz KLMDLQCFNUEDCL-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO Cc1nc(CNCC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000998265295 705632127 /nfs/dbraw/zinc/63/21/27/705632127.db2.gz KLMDLQCFNUEDCL-HNNXBMFYSA-N 1 3 336.505 1.731 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733850 706167404 /nfs/dbraw/zinc/16/74/04/706167404.db2.gz UQONELQCTRAWOA-DLBZAZTESA-N 1 3 347.507 1.813 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999350748 706863250 /nfs/dbraw/zinc/86/32/50/706863250.db2.gz AUYFNHOLBXUCSM-SJORKVTESA-N 1 3 347.507 1.764 20 0 EDADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H](NCc2cncn2C)C1 ZINC000999350748 706863252 /nfs/dbraw/zinc/86/32/52/706863252.db2.gz AUYFNHOLBXUCSM-SJORKVTESA-N 1 3 347.507 1.764 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372576 706886865 /nfs/dbraw/zinc/88/68/65/706886865.db2.gz CIQSKNIGFFTXLU-CQSZACIVSA-N 1 3 336.505 1.751 20 0 EDADHO Cc1ncc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)s1 ZINC000999401928 706909868 /nfs/dbraw/zinc/90/98/68/706909868.db2.gz BBJRNIIRNIOSBA-LRVUVFPRSA-N 1 3 336.505 1.872 20 0 EDADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409838 706919950 /nfs/dbraw/zinc/91/99/50/706919950.db2.gz TZZXMJZXCNYFMP-FAEJEUNOSA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000999507930 707005149 /nfs/dbraw/zinc/00/51/49/707005149.db2.gz DTUVAGAEHDZCBE-UHFFFAOYSA-N 1 3 345.491 1.596 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999680829 707165506 /nfs/dbraw/zinc/16/55/06/707165506.db2.gz ASFUMNWPLFKPMR-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO CCc1noc(C)c1CNC1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999680829 707165508 /nfs/dbraw/zinc/16/55/08/707165508.db2.gz ASFUMNWPLFKPMR-FHERZECASA-N 1 3 348.491 1.966 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764395 707319008 /nfs/dbraw/zinc/31/90/08/707319008.db2.gz JQTDSUOZPHIFJI-VZDIDWBNSA-N 1 3 333.476 1.230 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC)C2)nn1 ZINC000999985807 707656489 /nfs/dbraw/zinc/65/64/89/707656489.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 1 3 348.495 1.426 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999985807 707656492 /nfs/dbraw/zinc/65/64/92/707656492.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 1 3 348.495 1.426 20 0 EDADHO C[C@@H](NCc1cncn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983852 707866882 /nfs/dbraw/zinc/86/68/82/707866882.db2.gz SGICWNWAPKICJL-WBVHZDCISA-N 1 3 345.491 1.375 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033908007 709040601 /nfs/dbraw/zinc/04/06/01/709040601.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 1 3 347.503 1.573 20 0 EDADHO CCN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033908007 709040607 /nfs/dbraw/zinc/04/06/07/709040607.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 1 3 347.503 1.573 20 0 EDADHO O=C(NC1CCN(CCc2ccns2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002834373 709449637 /nfs/dbraw/zinc/44/96/37/709449637.db2.gz UAIJFIHCOXPBMM-KRWDZBQOSA-N 1 3 348.516 1.608 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034289567 709712984 /nfs/dbraw/zinc/71/29/84/709712984.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 1 3 325.497 1.724 20 0 EDADHO COCCN1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034289567 709712986 /nfs/dbraw/zinc/71/29/86/709712986.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 1 3 325.497 1.724 20 0 EDADHO CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319117 709768607 /nfs/dbraw/zinc/76/86/07/709768607.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319117 709768610 /nfs/dbraw/zinc/76/86/10/709768610.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 1 3 349.519 1.866 20 0 EDADHO CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319672 709769407 /nfs/dbraw/zinc/76/94/07/709769407.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 1 3 335.492 1.620 20 0 EDADHO CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319672 709769409 /nfs/dbraw/zinc/76/94/09/709769409.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321553 709771956 /nfs/dbraw/zinc/77/19/56/709771956.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 1 3 347.503 1.620 20 0 EDADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034321553 709771958 /nfs/dbraw/zinc/77/19/58/709771958.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 1 3 347.503 1.620 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631138 710460425 /nfs/dbraw/zinc/46/04/25/710460425.db2.gz RKFLATWWRKMINZ-SJORKVTESA-N 1 3 337.508 1.726 20 0 EDADHO Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001034734016 710915782 /nfs/dbraw/zinc/91/57/82/710915782.db2.gz HAHSVWCKZRTWHX-FVQBIDKESA-N 1 3 334.464 1.842 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)ncn1 ZINC001034734711 710917458 /nfs/dbraw/zinc/91/74/58/710917458.db2.gz WAMLYHQXYNPCSZ-DJIMGWMZSA-N 1 3 345.491 1.644 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034739166 710932766 /nfs/dbraw/zinc/93/27/66/710932766.db2.gz YKZBHRXMERRFTB-QSPRXWTASA-N 1 3 345.491 1.500 20 0 EDADHO Cc1nccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034739166 710932772 /nfs/dbraw/zinc/93/27/72/710932772.db2.gz YKZBHRXMERRFTB-QSPRXWTASA-N 1 3 345.491 1.500 20 0 EDADHO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1)C(N)=O ZINC001034796238 711116322 /nfs/dbraw/zinc/11/63/22/711116322.db2.gz GMFUKDMWDYXKAX-JQFCIGGWSA-N 1 3 346.475 1.253 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034796542 711128581 /nfs/dbraw/zinc/12/85/81/711128581.db2.gz IMVVOXOWOCDAPU-DSPLQEQRSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[C@H](NCc2ccn(C)n2)CC1 ZINC001034796542 711128584 /nfs/dbraw/zinc/12/85/84/711128584.db2.gz IMVVOXOWOCDAPU-DSPLQEQRSA-N 1 3 347.507 1.810 20 0 EDADHO C[C@H](NC[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1csnn1 ZINC001034957249 711428274 /nfs/dbraw/zinc/42/82/74/711428274.db2.gz PBZKHMILSMJNIO-QWHCGFSZSA-N 1 3 337.493 1.664 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946642396 712126812 /nfs/dbraw/zinc/12/68/12/712126812.db2.gz HXUIBGVTVTUGOF-MWDXBVQZSA-N 1 3 325.497 1.532 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1)N(C)C ZINC000946642396 712126813 /nfs/dbraw/zinc/12/68/13/712126813.db2.gz HXUIBGVTVTUGOF-MWDXBVQZSA-N 1 3 325.497 1.532 20 0 EDADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232913 /nfs/dbraw/zinc/23/29/13/306232913.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232914 /nfs/dbraw/zinc/23/29/14/306232914.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000433327858 305105885 /nfs/dbraw/zinc/10/58/85/305105885.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](CNC(=O)NCCCN1CCCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000433327858 305105886 /nfs/dbraw/zinc/10/58/86/305105886.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 1 3 326.485 1.269 20 0 EDADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111336 299155408 /nfs/dbraw/zinc/15/54/08/299155408.db2.gz LPDUAXKZZKKSQR-HOTGVXAUSA-N 1 3 345.491 1.868 20 0 EDADHO C[C@H](NC(=O)NCCNc1ccncc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358111336 299155412 /nfs/dbraw/zinc/15/54/12/299155412.db2.gz LPDUAXKZZKKSQR-HOTGVXAUSA-N 1 3 345.491 1.868 20 0 EDADHO C[C@H](NC(=O)NCCOCCN(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000471646231 299156345 /nfs/dbraw/zinc/15/63/45/299156345.db2.gz KTMKCGTVUNAKNT-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](NC(=O)NCCOCCN(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000471646231 299156348 /nfs/dbraw/zinc/15/63/48/299156348.db2.gz KTMKCGTVUNAKNT-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805670 306309554 /nfs/dbraw/zinc/30/95/54/306309554.db2.gz KQXLBTULIKOQGY-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H]1CCN(C2CC2)C1 ZINC000358587424 539984941 /nfs/dbraw/zinc/98/49/41/539984941.db2.gz KAPVGAKLEJKSNC-INIZCTEOSA-N 1 3 332.448 1.331 20 0 EDADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000159044633 540003368 /nfs/dbraw/zinc/00/33/68/540003368.db2.gz KBCAJSDIOYOEHV-OAHLLOKOSA-N 1 3 344.463 1.814 20 0 EDADHO CCC[NH+]1CCC(NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000159120510 540004492 /nfs/dbraw/zinc/00/44/92/540004492.db2.gz ZHGJTTKWKNBAPZ-UHFFFAOYSA-N 1 3 331.508 1.797 20 0 EDADHO CCCN1CCC([NH2+]Cc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000159120510 540004494 /nfs/dbraw/zinc/00/44/94/540004494.db2.gz ZHGJTTKWKNBAPZ-UHFFFAOYSA-N 1 3 331.508 1.797 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@H]2C1 ZINC000563390156 306331527 /nfs/dbraw/zinc/33/15/27/306331527.db2.gz OKUVJPUWFHNOGO-PVAVHDDUSA-N 1 3 337.533 1.757 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000563559292 306338834 /nfs/dbraw/zinc/33/88/34/306338834.db2.gz UFBBTPPYNSUXHD-MSOLQXFVSA-N 1 3 347.507 1.354 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000093502812 138293423 /nfs/dbraw/zinc/29/34/23/138293423.db2.gz BWXGUJVXYMXFEH-UHFFFAOYSA-N 1 3 335.492 1.251 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC(C)(CO)CO)CC1 ZINC000093502812 138293424 /nfs/dbraw/zinc/29/34/24/138293424.db2.gz BWXGUJVXYMXFEH-UHFFFAOYSA-N 1 3 335.492 1.251 20 0 EDADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2NCCc3ccccc32)CCSC1 ZINC000563588402 306340111 /nfs/dbraw/zinc/34/01/11/306340111.db2.gz GRIJFDHJZKVTAR-SJLPKXTDSA-N 1 3 348.516 1.610 20 0 EDADHO O=C(NC[C@H](c1cccs1)N1CCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000563874829 306350897 /nfs/dbraw/zinc/35/08/97/306350897.db2.gz NOMVCRLPQKGFHI-UONOGXRCSA-N 1 3 338.477 1.173 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnc(N(C)C)n2C)cc1 ZINC000414341458 304108647 /nfs/dbraw/zinc/10/86/47/304108647.db2.gz VUEUFFHOIJORDW-UHFFFAOYSA-N 1 3 345.491 1.759 20 0 EDADHO CN1CCC(C[NH2+]Cc2cc(F)cc(F)c2)(N2CCOCC2)CC1 ZINC000414478145 304118034 /nfs/dbraw/zinc/11/80/34/304118034.db2.gz DGWIBMPTWHKQSF-UHFFFAOYSA-N 1 3 339.430 1.851 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCCC2)cc1 ZINC000414709128 304130764 /nfs/dbraw/zinc/13/07/64/304130764.db2.gz RAQLMZDMQVIWOE-AWEZNQCLSA-N 1 3 332.448 1.335 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1 ZINC000414740193 304135147 /nfs/dbraw/zinc/13/51/47/304135147.db2.gz JOCXUBHCPXUYIV-LSDHHAIUSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@@H]1C[C@H](CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765212 304138587 /nfs/dbraw/zinc/13/85/87/304138587.db2.gz ZNBBQLNWSDEELU-HZPDHXFCSA-N 1 3 348.466 1.770 20 0 EDADHO Cc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782808 304139948 /nfs/dbraw/zinc/13/99/48/304139948.db2.gz OWOYBTZUCBMDCX-QGZVFWFLSA-N 1 3 341.459 1.763 20 0 EDADHO Cc1cc(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782808 304139951 /nfs/dbraw/zinc/13/99/51/304139951.db2.gz OWOYBTZUCBMDCX-QGZVFWFLSA-N 1 3 341.459 1.763 20 0 EDADHO Cc1cc(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)ccc1-n1cncn1 ZINC000414782808 304139953 /nfs/dbraw/zinc/13/99/53/304139953.db2.gz OWOYBTZUCBMDCX-QGZVFWFLSA-N 1 3 341.459 1.763 20 0 EDADHO COCCN(C)c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414781534 304139996 /nfs/dbraw/zinc/13/99/96/304139996.db2.gz NEGUYPHVLPYJDD-ROUUACIJSA-N 1 3 332.492 1.986 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000414799707 304142119 /nfs/dbraw/zinc/14/21/19/304142119.db2.gz YPXSVHCXIRNURJ-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1 ZINC000414834509 304146191 /nfs/dbraw/zinc/14/61/91/304146191.db2.gz SJZWPKSZZKKNCH-BBRMVZONSA-N 1 3 344.459 1.778 20 0 EDADHO CN(C)Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)ccc1F ZINC000415108819 304160898 /nfs/dbraw/zinc/16/08/98/304160898.db2.gz PEDHZPLNEWULBT-HNNXBMFYSA-N 1 3 336.455 1.174 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124135 304162068 /nfs/dbraw/zinc/16/20/68/304162068.db2.gz QKSJMGUTXHWAIV-QGZVFWFLSA-N 1 3 330.476 1.795 20 0 EDADHO Cc1ccccc1CN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140009 304163567 /nfs/dbraw/zinc/16/35/67/304163567.db2.gz MOAWIMNXBFHCQX-QZTJIDSGSA-N 1 3 328.460 1.715 20 0 EDADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143211 304163983 /nfs/dbraw/zinc/16/39/83/304163983.db2.gz AMKHJUQUUNAMHS-IRXDYDNUSA-N 1 3 344.459 1.430 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000415154988 304166756 /nfs/dbraw/zinc/16/67/56/304166756.db2.gz DZTUWTIYFPIXBV-UHFFFAOYSA-N 1 3 332.448 1.287 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030848 284349889 /nfs/dbraw/zinc/34/98/89/284349889.db2.gz BSBVJNJTUIKIRI-QKPAOTATSA-N 1 3 343.512 1.923 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030848 284349890 /nfs/dbraw/zinc/34/98/90/284349890.db2.gz BSBVJNJTUIKIRI-QKPAOTATSA-N 1 3 343.512 1.923 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000246628053 139115660 /nfs/dbraw/zinc/11/56/60/139115660.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccc(COC[C@H](O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000246628053 139115661 /nfs/dbraw/zinc/11/56/61/139115661.db2.gz HRFFLKBQLXCQLQ-BPQIPLTHSA-N 1 3 336.476 1.987 20 0 EDADHO CC(C)OC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246786958 139121579 /nfs/dbraw/zinc/12/15/79/139121579.db2.gz ZTLOOQOFILTTEQ-ZHALLVOQSA-N 1 3 342.524 1.984 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249297725 139190784 /nfs/dbraw/zinc/19/07/84/139190784.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 1 3 346.519 1.679 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000249297725 139190785 /nfs/dbraw/zinc/19/07/85/139190785.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 1 3 346.519 1.679 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261603871 139209870 /nfs/dbraw/zinc/20/98/70/139209870.db2.gz AIRMUCJEGRNWHB-DDBAPUKQSA-N 1 3 331.460 1.520 20 0 EDADHO NC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000415459297 304223395 /nfs/dbraw/zinc/22/33/95/304223395.db2.gz WFQJCPCUOTVUTR-KRWDZBQOSA-N 1 3 344.459 1.117 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000261979767 139241486 /nfs/dbraw/zinc/24/14/86/139241486.db2.gz RFWFAUKVVODFPI-BHYGNILZSA-N 1 3 334.464 1.622 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCOc2ccc(Cl)cc2)C1 ZINC000261999480 139242901 /nfs/dbraw/zinc/24/29/01/139242901.db2.gz UXTCZFFUSWUGAP-ZDUSSCGKSA-N 1 3 325.840 1.506 20 0 EDADHO N[C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046403 139246389 /nfs/dbraw/zinc/24/63/89/139246389.db2.gz QPFZBCRMXDCLEG-KGLIPLIRSA-N 1 3 344.381 1.029 20 0 EDADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262111634 139251818 /nfs/dbraw/zinc/25/18/18/139251818.db2.gz URNCTGHXYAANRF-MOPGFXCFSA-N 1 3 342.487 1.157 20 0 EDADHO c1cc(OC[C@H]2CCCO2)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110077 139251681 /nfs/dbraw/zinc/25/16/81/139251681.db2.gz KEKLWSWIMGTDBV-AZUAARDMSA-N 1 3 345.487 1.724 20 0 EDADHO C[C@@H](C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364625 139273502 /nfs/dbraw/zinc/27/35/02/139273502.db2.gz KVAIEMDQKVSTNJ-BEFAXECRSA-N 1 3 345.487 1.404 20 0 EDADHO CN(C)C1(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736439 251248148 /nfs/dbraw/zinc/24/81/48/251248148.db2.gz MPQKVDZMKICNLT-CRAIPNDOSA-N 1 3 344.503 1.902 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000417792425 251273626 /nfs/dbraw/zinc/27/36/26/251273626.db2.gz KCLBLICHIJRQJR-ZIAGYGMSSA-N 1 3 330.423 1.547 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N[C@@H]1CNCCC1(F)F ZINC000417792425 251273631 /nfs/dbraw/zinc/27/36/31/251273631.db2.gz KCLBLICHIJRQJR-ZIAGYGMSSA-N 1 3 330.423 1.547 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000417804962 251276452 /nfs/dbraw/zinc/27/64/52/251276452.db2.gz GZHXDXVAKKWLKB-GOEBONIOSA-N 1 3 326.485 1.302 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418104686 251322813 /nfs/dbraw/zinc/32/28/13/251322813.db2.gz KJZWYYUWMPMTFW-JFIYKMOQSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)CN1 ZINC000418104686 251322817 /nfs/dbraw/zinc/32/28/17/251322817.db2.gz KJZWYYUWMPMTFW-JFIYKMOQSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000418121352 251332669 /nfs/dbraw/zinc/33/26/69/251332669.db2.gz WQNZPSMCYRZNBZ-OAGGEKHMSA-N 1 3 326.485 1.399 20 0 EDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000262528958 139284428 /nfs/dbraw/zinc/28/44/28/139284428.db2.gz MOMWQYREHBBTIM-HUUCEWRRSA-N 1 3 346.475 1.112 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NCC2(SC)CCN(C)CC2)CC1 ZINC000418198268 251354087 /nfs/dbraw/zinc/35/40/87/251354087.db2.gz LDLHZWXJRZIEME-UHFFFAOYSA-N 1 3 342.553 1.845 20 0 EDADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000418348944 251362112 /nfs/dbraw/zinc/36/21/12/251362112.db2.gz JMZMTDLENHIULO-MSOLQXFVSA-N 1 3 348.491 1.782 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418706114 251389712 /nfs/dbraw/zinc/38/97/12/251389712.db2.gz FDKXEKWJZLMCGH-AWEZNQCLSA-N 1 3 328.407 1.775 20 0 EDADHO CC(C)(C)[C@H](N)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262623994 139291043 /nfs/dbraw/zinc/29/10/43/139291043.db2.gz FNIOCPMGJHVFHD-QZTJIDSGSA-N 1 3 347.503 1.922 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000262712827 139298296 /nfs/dbraw/zinc/29/82/96/139298296.db2.gz SDJADTANPALTIW-IBGZPJMESA-N 1 3 332.492 1.568 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000262883851 139310372 /nfs/dbraw/zinc/31/03/72/139310372.db2.gz NSVRJBWYOIHXHC-HNNXBMFYSA-N 1 3 341.496 1.280 20 0 EDADHO C[C@H](NC[C@@H](CO)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000423070955 252033749 /nfs/dbraw/zinc/03/37/49/252033749.db2.gz DQJIUHOKAUEBDX-RYUDHWBXSA-N 1 3 327.266 1.798 20 0 EDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C1CNC1 ZINC000423070955 252033751 /nfs/dbraw/zinc/03/37/51/252033751.db2.gz DQJIUHOKAUEBDX-RYUDHWBXSA-N 1 3 327.266 1.798 20 0 EDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094466 252035978 /nfs/dbraw/zinc/03/59/78/252035978.db2.gz BXFIUTNUIGAIDS-JSGCOSHPSA-N 1 3 345.896 1.725 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000423962502 252108571 /nfs/dbraw/zinc/10/85/71/252108571.db2.gz VEVVMLMQGZDAKZ-SFHVURJKSA-N 1 3 346.519 1.997 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1(C)C ZINC000424020878 252115954 /nfs/dbraw/zinc/11/59/54/252115954.db2.gz ADMJRKXUZLYFMG-PSLQGDIJSA-N 1 3 349.450 1.611 20 0 EDADHO [NH3+]Cc1cc(NC(=O)c2n[nH]c3c2CNCC3)cc(C(F)(F)F)c1 ZINC000262925072 139313159 /nfs/dbraw/zinc/31/31/59/139313159.db2.gz FONHTPWBEFNILS-UHFFFAOYSA-N 1 3 339.321 1.785 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000262967876 139315926 /nfs/dbraw/zinc/31/59/26/139315926.db2.gz XGLDAZJKWZTTHR-GOSISDBHSA-N 1 3 346.475 1.521 20 0 EDADHO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424469568 252243141 /nfs/dbraw/zinc/24/31/41/252243141.db2.gz QKBGFNMXAFJJTK-UHFFFAOYSA-N 1 3 348.491 1.973 20 0 EDADHO COCCN1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358046396 285012114 /nfs/dbraw/zinc/01/21/14/285012114.db2.gz ZFSWRQIXROYBOM-IAGOWNOFSA-N 1 3 327.513 1.576 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904117 285022109 /nfs/dbraw/zinc/02/21/09/285022109.db2.gz PDWDLNLSOXEGHG-IAGOWNOFSA-N 1 3 338.496 1.367 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415759619 304266913 /nfs/dbraw/zinc/26/69/13/304266913.db2.gz FASVYOMWYMULNR-UHFFFAOYSA-N 1 3 344.459 1.289 20 0 EDADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756860 224153273 /nfs/dbraw/zinc/15/32/73/224153273.db2.gz HNGUCFCQNQJQPO-AWEZNQCLSA-N 1 3 343.493 1.677 20 0 EDADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756860 224153276 /nfs/dbraw/zinc/15/32/76/224153276.db2.gz HNGUCFCQNQJQPO-AWEZNQCLSA-N 1 3 343.493 1.677 20 0 EDADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756973 224153630 /nfs/dbraw/zinc/15/36/30/224153630.db2.gz HNGUCFCQNQJQPO-CQSZACIVSA-N 1 3 343.493 1.677 20 0 EDADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756973 224153631 /nfs/dbraw/zinc/15/36/31/224153631.db2.gz HNGUCFCQNQJQPO-CQSZACIVSA-N 1 3 343.493 1.677 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC(C)C ZINC000352227217 285244372 /nfs/dbraw/zinc/24/43/72/285244372.db2.gz LYBIKFCLGUYPTR-MRXNPFEDSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCOC(C)C ZINC000352227217 285244373 /nfs/dbraw/zinc/24/43/73/285244373.db2.gz LYBIKFCLGUYPTR-MRXNPFEDSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN(C2CCC2)C1 ZINC000487820755 255036500 /nfs/dbraw/zinc/03/65/00/255036500.db2.gz MPRJDUQPCQQIRS-JKSUJKDBSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN(C2CCC2)C1 ZINC000487820755 255036502 /nfs/dbraw/zinc/03/65/02/255036502.db2.gz MPRJDUQPCQQIRS-JKSUJKDBSA-N 1 3 334.508 1.987 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000363195945 285246672 /nfs/dbraw/zinc/24/66/72/285246672.db2.gz JZPMBIDNCRPXQW-KZNAEPCWSA-N 1 3 347.507 1.398 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000363195945 285246674 /nfs/dbraw/zinc/24/66/74/285246674.db2.gz JZPMBIDNCRPXQW-KZNAEPCWSA-N 1 3 347.507 1.398 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)/C=C\C[NH+](C)C ZINC000491890664 255154136 /nfs/dbraw/zinc/15/41/36/255154136.db2.gz HSBMGVPVBYZKIZ-WAYWQWQTSA-N 1 3 325.403 1.973 20 0 EDADHO COC[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494566758 255254077 /nfs/dbraw/zinc/25/40/77/255254077.db2.gz WWJIYGXNBSAOOY-QGZVFWFLSA-N 1 3 347.503 1.982 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000494645074 255256320 /nfs/dbraw/zinc/25/63/20/255256320.db2.gz FGVNYYRXZLEWLA-KRWDZBQOSA-N 1 3 333.476 1.818 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305733 255378349 /nfs/dbraw/zinc/37/83/49/255378349.db2.gz ITYCOSMLPJPJRP-CQSZACIVSA-N 1 3 325.457 1.063 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444152 255392709 /nfs/dbraw/zinc/39/27/09/255392709.db2.gz PGHNYYLFWZBCRV-CHWSQXEVSA-N 1 3 327.473 1.498 20 0 EDADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119629549 221364227 /nfs/dbraw/zinc/36/42/27/221364227.db2.gz XYFHDODIZJYFTN-DLBZAZTESA-N 1 3 346.475 1.135 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064094 /nfs/dbraw/zinc/06/40/94/140064094.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 1 3 346.475 1.452 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064096 /nfs/dbraw/zinc/06/40/96/140064096.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 1 3 346.475 1.452 20 0 EDADHO C[C@H](CNC(=O)c1ccc(CN2CCC(CO)CC2)cc1)[NH+](C)C ZINC000270907175 140195304 /nfs/dbraw/zinc/19/53/04/140195304.db2.gz UCAMYBLXCHPCPX-OAHLLOKOSA-N 1 3 333.476 1.571 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272042074 140391536 /nfs/dbraw/zinc/39/15/36/140391536.db2.gz YEXLRLJXJBHGJG-QZTJIDSGSA-N 1 3 331.460 1.035 20 0 EDADHO CSC1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN(C)CC1 ZINC000332304874 141159396 /nfs/dbraw/zinc/15/93/96/141159396.db2.gz LPSRFCOODCPOJD-KKUMJFAQSA-N 1 3 340.537 1.583 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000333125495 141268134 /nfs/dbraw/zinc/26/81/34/141268134.db2.gz AZYTUHNIJQFYBV-CABCVRRESA-N 1 3 340.537 1.727 20 0 EDADHO CC(=O)Nc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000333202405 141280710 /nfs/dbraw/zinc/28/07/10/141280710.db2.gz YFAMLWLYMMYDNO-MSOLQXFVSA-N 1 3 329.444 1.845 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333344699 141302863 /nfs/dbraw/zinc/30/28/63/141302863.db2.gz QIGFRKMHJCGWSN-CZUORRHYSA-N 1 3 330.432 1.869 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000333344699 141302864 /nfs/dbraw/zinc/30/28/64/141302864.db2.gz QIGFRKMHJCGWSN-CZUORRHYSA-N 1 3 330.432 1.869 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861488 142180730 /nfs/dbraw/zinc/18/07/30/142180730.db2.gz QVSYZKFQTVFCLW-GDBMZVCRSA-N 1 3 336.484 1.528 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861488 142180731 /nfs/dbraw/zinc/18/07/31/142180731.db2.gz QVSYZKFQTVFCLW-GDBMZVCRSA-N 1 3 336.484 1.528 20 0 EDADHO C(=C/CN1CC[NH+](C2CCC2)CC1)\CN1CCN(C2CCC2)CC1 ZINC000340196029 142299363 /nfs/dbraw/zinc/29/93/63/142299363.db2.gz NTRKIHVXSOIOEO-OWOJBTEDSA-N 1 3 332.536 1.883 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1N(C)C ZINC000344720248 143002744 /nfs/dbraw/zinc/00/27/44/143002744.db2.gz GKUNBTABDCIDNZ-XHSDSOJGSA-N 1 3 343.537 1.284 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894844 143144282 /nfs/dbraw/zinc/14/42/82/143144282.db2.gz YMRKSCUKFASFQN-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894844 143144283 /nfs/dbraw/zinc/14/42/83/143144283.db2.gz YMRKSCUKFASFQN-IAGOWNOFSA-N 1 3 340.512 1.471 20 0 EDADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000346575919 143218192 /nfs/dbraw/zinc/21/81/92/143218192.db2.gz VKUHJCNJGHYYFW-AKHDSKFASA-N 1 3 339.524 1.576 20 0 EDADHO CCOCCC[N@H+]1CC[C@@H](NCCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000346575919 143218193 /nfs/dbraw/zinc/21/81/93/143218193.db2.gz VKUHJCNJGHYYFW-AKHDSKFASA-N 1 3 339.524 1.576 20 0 EDADHO COc1cccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)N2CCCC2)c1 ZINC000416861130 304352787 /nfs/dbraw/zinc/35/27/87/304352787.db2.gz WOPKTZPOPHYIPD-ROUUACIJSA-N 1 3 346.475 1.869 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)N[C@@H](C)CCCC[NH3+])C1 ZINC000418678514 286093439 /nfs/dbraw/zinc/09/34/39/286093439.db2.gz VRTMCESRTWFLRT-JYJNAYRXSA-N 1 3 326.485 1.399 20 0 EDADHO CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)N1CCN(C)CC1 ZINC000416959977 304355150 /nfs/dbraw/zinc/35/51/50/304355150.db2.gz QIPTUZRSXUNUKO-DLBZAZTESA-N 1 3 339.528 1.075 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)N(C)C1 ZINC000348054221 286105672 /nfs/dbraw/zinc/10/56/72/286105672.db2.gz WYOKUMJNUKLGBN-CVEARBPZSA-N 1 3 340.512 1.469 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000416974189 304358670 /nfs/dbraw/zinc/35/86/70/304358670.db2.gz KSBOILHFBNOATR-MRXNPFEDSA-N 1 3 334.464 1.650 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866706 150002692 /nfs/dbraw/zinc/00/26/92/150002692.db2.gz XCURPUGLEMGXJD-QZTJIDSGSA-N 1 3 333.476 1.642 20 0 EDADHO C[NH2+]CCNC(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000417047196 304366163 /nfs/dbraw/zinc/36/61/63/304366163.db2.gz CRWMWADFOFWHAU-UHFFFAOYSA-N 1 3 347.507 1.416 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000358014799 151235619 /nfs/dbraw/zinc/23/56/19/151235619.db2.gz DDHAIZYEYZMSIY-IKGGRYGDSA-N 1 3 325.497 1.724 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000358014799 151235621 /nfs/dbraw/zinc/23/56/21/151235621.db2.gz DDHAIZYEYZMSIY-IKGGRYGDSA-N 1 3 325.497 1.724 20 0 EDADHO COCC1(CNCc2ccc(OC)c(OC)c2OC)CC[NH2+]CC1 ZINC000414953004 292246058 /nfs/dbraw/zinc/24/60/58/292246058.db2.gz JDWQEZCVFLDRSH-UHFFFAOYSA-N 1 3 338.448 1.818 20 0 EDADHO C[C@H]1CNCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417118790 304374291 /nfs/dbraw/zinc/37/42/91/304374291.db2.gz SCXHBADDSRFFSN-AWEZNQCLSA-N 1 3 326.510 1.351 20 0 EDADHO CC(CNC(=O)[C@H](C(C)C)N(C)C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000360648562 152137618 /nfs/dbraw/zinc/13/76/18/152137618.db2.gz IRXRIIJDCLTWGE-HOTGVXAUSA-N 1 3 342.528 1.027 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000360742807 152180417 /nfs/dbraw/zinc/18/04/17/152180417.db2.gz AUSNUIATXKAVIJ-ZBFHGGJFSA-N 1 3 328.526 1.549 20 0 EDADHO C[C@@H](C[NH3+])N(C)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417150041 304378020 /nfs/dbraw/zinc/37/80/20/304378020.db2.gz JKGVLUYFXBQERW-KRWDZBQOSA-N 1 3 347.507 1.577 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417179481 304381000 /nfs/dbraw/zinc/38/10/00/304381000.db2.gz FUPSTFFKFIIKOR-BZSNNMDCSA-N 1 3 330.476 1.553 20 0 EDADHO C[C@H](CNC(=O)NCCCNCc1cccnc1)C[NH+]1CCCCC1 ZINC000417194516 304383112 /nfs/dbraw/zinc/38/31/12/304383112.db2.gz PFMRUKJZPKPMCM-QGZVFWFLSA-N 1 3 347.507 1.983 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364574905 153276030 /nfs/dbraw/zinc/27/60/30/153276030.db2.gz AIZJVNLJJPMWCP-UYAOXDASSA-N 1 3 343.471 1.259 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364740303 153319763 /nfs/dbraw/zinc/31/97/63/153319763.db2.gz QUZHXPDFRLNXGG-HOTGVXAUSA-N 1 3 331.460 1.984 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364740303 153319766 /nfs/dbraw/zinc/31/97/66/153319766.db2.gz QUZHXPDFRLNXGG-HOTGVXAUSA-N 1 3 331.460 1.984 20 0 EDADHO CN(CCNC(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000417233746 304386598 /nfs/dbraw/zinc/38/65/98/304386598.db2.gz SLEYUFWMFMPXLL-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO CNC(=O)c1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000367667806 154222146 /nfs/dbraw/zinc/22/21/46/154222146.db2.gz DQTRATBNUKNNEK-UHFFFAOYSA-N 1 3 344.503 1.506 20 0 EDADHO CCCN(C(=O)NCc1ccccc1OCCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000417372789 304395330 /nfs/dbraw/zinc/39/53/30/304395330.db2.gz XMNSEDOPQJAKJW-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(CCCOC)CC2)C1 ZINC000369659822 155122454 /nfs/dbraw/zinc/12/24/54/155122454.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 1 3 340.512 1.472 20 0 EDADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(CCCOC)CC2)C1 ZINC000369659822 155122456 /nfs/dbraw/zinc/12/24/56/155122456.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 1 3 340.512 1.472 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129690 /nfs/dbraw/zinc/12/96/90/158129690.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 1 3 332.448 1.558 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129692 /nfs/dbraw/zinc/12/96/92/158129692.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 1 3 332.448 1.558 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000352208459 162050856 /nfs/dbraw/zinc/05/08/56/162050856.db2.gz OAHIZMVNLHNISZ-MRXNPFEDSA-N 1 3 328.501 1.328 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000352212787 162053431 /nfs/dbraw/zinc/05/34/31/162053431.db2.gz BWRWNOSIENICQV-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO CC[NH+](CC)CC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000076573090 287284282 /nfs/dbraw/zinc/28/42/82/287284282.db2.gz LMNWZOISYVAJSQ-UHFFFAOYSA-N 1 3 346.519 1.652 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418302517 304477660 /nfs/dbraw/zinc/47/76/60/304477660.db2.gz QFPPZSRFQMAWPR-QGZVFWFLSA-N 1 3 334.464 1.739 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120522963 287361894 /nfs/dbraw/zinc/36/18/94/287361894.db2.gz GGIFQIGASCPRED-OFLPRAFFSA-N 1 3 340.512 1.517 20 0 EDADHO O=C(NCCCNCc1cccnc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418329639 304481196 /nfs/dbraw/zinc/48/11/96/304481196.db2.gz OUXHLUWRNURHHO-QZTJIDSGSA-N 1 3 345.491 1.592 20 0 EDADHO O=C(NCC1CCN(C[C@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000168098732 226208770 /nfs/dbraw/zinc/20/87/70/226208770.db2.gz OCVUJKYLVUXFPS-MSOLQXFVSA-N 1 3 331.460 1.300 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000665758281 452326729 /nfs/dbraw/zinc/32/67/29/452326729.db2.gz DMBKFHUAYHIHAH-SOUVJXGZSA-N 1 3 330.542 1.794 20 0 EDADHO COCC[N@H+](C)CCCC1CCN(CCN2CCCC2=O)CC1 ZINC000122172607 222029176 /nfs/dbraw/zinc/02/91/76/222029176.db2.gz VIEZFVCWOIHYKE-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO COCC[N@@H+](C)CCCC1CCN(CCN2CCCC2=O)CC1 ZINC000122172607 222029180 /nfs/dbraw/zinc/02/91/80/222029180.db2.gz VIEZFVCWOIHYKE-UHFFFAOYSA-N 1 3 325.497 1.679 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCS[C@H](C)[C@@H]1C ZINC000665758281 452326741 /nfs/dbraw/zinc/32/67/41/452326741.db2.gz DMBKFHUAYHIHAH-SOUVJXGZSA-N 1 3 330.542 1.794 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000665762466 452340161 /nfs/dbraw/zinc/34/01/61/452340161.db2.gz FIXDSGJPSPCQBX-HOCLYGCPSA-N 1 3 328.501 1.109 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](CO)C1CCCC1 ZINC000665762466 452340173 /nfs/dbraw/zinc/34/01/73/452340173.db2.gz FIXDSGJPSPCQBX-HOCLYGCPSA-N 1 3 328.501 1.109 20 0 EDADHO COC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000665763534 452343194 /nfs/dbraw/zinc/34/31/94/452343194.db2.gz DLDPCWRSMSOEHZ-DOTOQJQBSA-N 1 3 328.501 1.326 20 0 EDADHO COC[C@]1(C)CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000665763534 452343199 /nfs/dbraw/zinc/34/31/99/452343199.db2.gz DLDPCWRSMSOEHZ-DOTOQJQBSA-N 1 3 328.501 1.326 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261662731 273017090 /nfs/dbraw/zinc/01/70/90/273017090.db2.gz BGPDIRVHZOVIPI-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCOCC2)CC1 ZINC000261662731 273017091 /nfs/dbraw/zinc/01/70/91/273017091.db2.gz BGPDIRVHZOVIPI-UHFFFAOYSA-N 1 3 345.487 1.865 20 0 EDADHO COC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCOCC1 ZINC000277010002 268503788 /nfs/dbraw/zinc/50/37/88/268503788.db2.gz LDIJLECHBARMFZ-UHFFFAOYSA-N 1 3 348.491 1.379 20 0 EDADHO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000362749748 277385836 /nfs/dbraw/zinc/38/58/36/277385836.db2.gz CXMAOLZKWBVWMR-GOSISDBHSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H](CN1CCOCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865542 278194875 /nfs/dbraw/zinc/19/48/75/278194875.db2.gz YLRFNCQGBKAJEV-AYBZRNKSSA-N 1 3 331.460 1.553 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174549 278210446 /nfs/dbraw/zinc/21/04/46/278210446.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 1 3 333.476 1.468 20 0 EDADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174549 278210447 /nfs/dbraw/zinc/21/04/47/278210447.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 1 3 333.476 1.468 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)Cc1ccccc1 ZINC000417595549 279332444 /nfs/dbraw/zinc/33/24/44/279332444.db2.gz XTBXEFUWWOSRBJ-BPQIPLTHSA-N 1 3 330.476 1.758 20 0 EDADHO C[C@H]([NH3+])CCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850957 279395593 /nfs/dbraw/zinc/39/55/93/279395593.db2.gz SHIQUHPTBDUDLJ-FUHWJXTLSA-N 1 3 332.492 1.609 20 0 EDADHO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCN(C2CCCC2)CC1 ZINC000424142087 280224514 /nfs/dbraw/zinc/22/45/14/280224514.db2.gz DBVFCDSGKFPOBL-INIZCTEOSA-N 1 3 346.479 1.293 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C[NH+](C)C)c2)CC1 ZINC000287538857 288260707 /nfs/dbraw/zinc/26/07/07/288260707.db2.gz LGVUIVDIFPGWAO-HNNXBMFYSA-N 1 3 333.480 1.900 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CCN1C ZINC000664216257 452890788 /nfs/dbraw/zinc/89/07/88/452890788.db2.gz GEALTCBYQCYNQC-OAGGEKHMSA-N 1 3 326.485 1.221 20 0 EDADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000376780877 289042274 /nfs/dbraw/zinc/04/22/74/289042274.db2.gz ZYXSBFWXWVBWEX-LTIDMASMSA-N 1 3 336.480 1.118 20 0 EDADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCCN1CCO)C(C)(C)C ZINC000458399911 289183840 /nfs/dbraw/zinc/18/38/40/289183840.db2.gz GIKGQEKVPXWVJK-CVEARBPZSA-N 1 3 342.528 1.499 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048554 289207828 /nfs/dbraw/zinc/20/78/28/289207828.db2.gz WEAMGSVRNUVEMC-SQNIBIBYSA-N 1 3 346.475 1.452 20 0 EDADHO CN(C)C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048554 289207830 /nfs/dbraw/zinc/20/78/30/289207830.db2.gz WEAMGSVRNUVEMC-SQNIBIBYSA-N 1 3 346.475 1.452 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000262011861 289224709 /nfs/dbraw/zinc/22/47/09/289224709.db2.gz HOXWJKXQROKNHI-INIZCTEOSA-N 1 3 325.478 1.544 20 0 EDADHO CC(C)[C@H](O)CN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000293059567 289510264 /nfs/dbraw/zinc/51/02/64/289510264.db2.gz YTLLTDVPKUVHGT-GOSISDBHSA-N 1 3 335.492 1.766 20 0 EDADHO CSC1(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CCN(C)CC1 ZINC000418196159 295575699 /nfs/dbraw/zinc/57/56/99/295575699.db2.gz GZZBRZYZIQGHTR-CQSZACIVSA-N 1 3 330.542 1.829 20 0 EDADHO C[C@H]1CN(CCN(C)CC[N@@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000660139279 453070498 /nfs/dbraw/zinc/07/04/98/453070498.db2.gz QUYCMEFVYJBXPL-IRXDYDNUSA-N 1 3 326.529 1.053 20 0 EDADHO C[C@H]1CN(CCN(C)CC[N@H+](C)C2CCN(C)CC2)C[C@H](C)O1 ZINC000660139279 453070492 /nfs/dbraw/zinc/07/04/92/453070492.db2.gz QUYCMEFVYJBXPL-IRXDYDNUSA-N 1 3 326.529 1.053 20 0 EDADHO COc1c(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c(C)nn1C ZINC000377706919 447306770 /nfs/dbraw/zinc/30/67/70/447306770.db2.gz UQTBWXSFGOQFEB-INIZCTEOSA-N 1 3 335.496 1.339 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000419639242 304647916 /nfs/dbraw/zinc/64/79/16/304647916.db2.gz CFNMTJCWHPVDJQ-CQSZACIVSA-N 1 3 346.475 1.230 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000419655498 447323734 /nfs/dbraw/zinc/32/37/34/447323734.db2.gz HNLORCSEYDWSQY-GDBMZVCRSA-N 1 3 346.475 1.009 20 0 EDADHO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294236597 303081352 /nfs/dbraw/zinc/08/13/52/303081352.db2.gz OUEUPVQXYKIYIS-IRXDYDNUSA-N 1 3 327.432 1.904 20 0 EDADHO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000414862569 447333236 /nfs/dbraw/zinc/33/32/36/447333236.db2.gz VKZSQXSIDCCLKS-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414874574 447337937 /nfs/dbraw/zinc/33/79/37/447337937.db2.gz IEUWYZNFNYWEER-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707130 304878984 /nfs/dbraw/zinc/87/89/84/304878984.db2.gz VSSOSFLQDSZIEN-HIFRSBDPSA-N 1 3 343.493 1.341 20 0 EDADHO C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914894 304880077 /nfs/dbraw/zinc/88/00/77/304880077.db2.gz WKKWPFMIXMRMLT-APWZRJJASA-N 1 3 344.503 1.600 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985041 304882063 /nfs/dbraw/zinc/88/20/63/304882063.db2.gz BVCXQRNJGCGSGT-LAQRGFTBSA-N 1 3 330.476 1.301 20 0 EDADHO CN(CCN[C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998348 304882672 /nfs/dbraw/zinc/88/26/72/304882672.db2.gz PYLVPQFGRVYCMJ-CHWSQXEVSA-N 1 3 331.507 1.476 20 0 EDADHO C[C@@](CN)([NH2+]CC(=O)N1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000430573171 305056528 /nfs/dbraw/zinc/05/65/28/305056528.db2.gz GTKJYZHSNRQCCP-IBGZPJMESA-N 1 3 330.476 1.048 20 0 EDADHO C[C@@H]1CN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942632 305069624 /nfs/dbraw/zinc/06/96/24/305069624.db2.gz MOAINXRKOHCPOO-CRAIPNDOSA-N 1 3 348.466 1.534 20 0 EDADHO Cc1cccc(OCCNC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431016388 305072963 /nfs/dbraw/zinc/07/29/63/305072963.db2.gz ZWLSWCITGUVFRW-QGZVFWFLSA-N 1 3 345.487 1.954 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000433122850 305101122 /nfs/dbraw/zinc/10/11/22/305101122.db2.gz XHFIQEADNBSSDO-IBGZPJMESA-N 1 3 346.519 1.494 20 0 EDADHO Cc1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c(CN(C)C)c1 ZINC000433375910 305106723 /nfs/dbraw/zinc/10/67/23/305106723.db2.gz MTZAQQGZLMFUNZ-HNNXBMFYSA-N 1 3 342.447 1.825 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000440137243 305203450 /nfs/dbraw/zinc/20/34/50/305203450.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 1 3 347.507 1.320 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000440137243 305203451 /nfs/dbraw/zinc/20/34/51/305203451.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 1 3 347.507 1.320 20 0 EDADHO C[C@@H](NC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCOCC1)c1ccccc1 ZINC000449351945 305312227 /nfs/dbraw/zinc/31/22/27/305312227.db2.gz SGACCHLETSZJSI-JFIYKMOQSA-N 1 3 345.487 1.858 20 0 EDADHO C[NH+](C)C/C=C\C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000491873816 305579630 /nfs/dbraw/zinc/57/96/30/305579630.db2.gz USZXSRZCEHNSQB-DAXSKMNVSA-N 1 3 344.459 1.440 20 0 EDADHO C[NH+](C)C/C=C\C(=O)N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1 ZINC000493836747 305628704 /nfs/dbraw/zinc/62/87/04/305628704.db2.gz NFPZIVBSEZBFDY-IOBAAEILSA-N 1 3 345.491 1.829 20 0 EDADHO C[C@@H]1C[C@@H](CNC2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663819 305673809 /nfs/dbraw/zinc/67/38/09/305673809.db2.gz PWUFWVHUNLUUMA-KGLIPLIRSA-N 1 3 327.469 1.336 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000544488276 306075481 /nfs/dbraw/zinc/07/54/81/306075481.db2.gz DBLRTLFOBFCQMP-GOSISDBHSA-N 1 3 339.524 1.532 20 0 EDADHO CSc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000548792583 306138416 /nfs/dbraw/zinc/13/84/16/306138416.db2.gz DBPQIRRXFURWCY-UHFFFAOYSA-N 1 3 325.482 1.761 20 0 EDADHO C[NH+](C)CCCCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000556939220 306221471 /nfs/dbraw/zinc/22/14/71/306221471.db2.gz BUHDQXGUBNLFGC-UHFFFAOYSA-N 1 3 347.507 1.442 20 0 EDADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CNCCC1(F)F ZINC000557194160 306226047 /nfs/dbraw/zinc/22/60/47/306226047.db2.gz XJSZPSFJGYVDDR-AWEZNQCLSA-N 1 3 330.423 1.690 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383427 /nfs/dbraw/zinc/38/34/27/447383427.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 1 3 328.504 1.390 20 0 EDADHO CN1CCNC[C@@H]1CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383433 /nfs/dbraw/zinc/38/34/33/447383433.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 1 3 328.504 1.390 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458541183 447405260 /nfs/dbraw/zinc/40/52/60/447405260.db2.gz RWZYUEMBBMJGCC-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458541183 447405267 /nfs/dbraw/zinc/40/52/67/447405267.db2.gz RWZYUEMBBMJGCC-SJORKVTESA-N 1 3 340.512 1.110 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccccc1Cl ZINC000103211970 441177264 /nfs/dbraw/zinc/17/72/64/441177264.db2.gz VAMDHNXSVOMTFD-UHFFFAOYSA-N 1 3 327.856 1.671 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000080655713 441186786 /nfs/dbraw/zinc/18/67/86/441186786.db2.gz MZHWYVPPHBCWKT-MSOLQXFVSA-N 1 3 336.524 1.534 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000080655713 441186790 /nfs/dbraw/zinc/18/67/90/441186790.db2.gz MZHWYVPPHBCWKT-MSOLQXFVSA-N 1 3 336.524 1.534 20 0 EDADHO COCCN(CCN(C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000105081487 441230718 /nfs/dbraw/zinc/23/07/18/441230718.db2.gz QJUCJACYWOWNTK-UHFFFAOYSA-N 1 3 328.501 1.471 20 0 EDADHO Cc1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)no1 ZINC000051280824 441406519 /nfs/dbraw/zinc/40/65/19/441406519.db2.gz ZXJXNCVVQSESRS-UHFFFAOYSA-N 1 3 335.452 1.341 20 0 EDADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074181561 441403502 /nfs/dbraw/zinc/40/35/02/441403502.db2.gz JRBOTFWAGLJVCF-QGZVFWFLSA-N 1 3 347.507 1.783 20 0 EDADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000074181561 441403507 /nfs/dbraw/zinc/40/35/07/441403507.db2.gz JRBOTFWAGLJVCF-QGZVFWFLSA-N 1 3 347.507 1.783 20 0 EDADHO CC(C)COC(=O)N1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000089156839 441527812 /nfs/dbraw/zinc/52/78/12/441527812.db2.gz CRMPGRCRHNKQPX-UHFFFAOYSA-N 1 3 327.469 1.290 20 0 EDADHO C[C@@H](Cn1cncn1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504811 441646620 /nfs/dbraw/zinc/64/66/20/441646620.db2.gz SUIQSEAKCIIICU-INIZCTEOSA-N 1 3 329.448 1.931 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000076981280 441702273 /nfs/dbraw/zinc/70/22/73/441702273.db2.gz PEEWFDNSDIHFFW-MRXNPFEDSA-N 1 3 329.448 1.398 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(c2ccncc2)CC1 ZINC000076981280 441702275 /nfs/dbraw/zinc/70/22/75/441702275.db2.gz PEEWFDNSDIHFFW-MRXNPFEDSA-N 1 3 329.448 1.398 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000121487049 441716931 /nfs/dbraw/zinc/71/69/31/441716931.db2.gz VZNARGCLHJKIGU-GOSISDBHSA-N 1 3 327.513 1.123 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000121487049 441716933 /nfs/dbraw/zinc/71/69/33/441716933.db2.gz VZNARGCLHJKIGU-GOSISDBHSA-N 1 3 327.513 1.123 20 0 EDADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000173619338 441807443 /nfs/dbraw/zinc/80/74/43/441807443.db2.gz HWBKGHPIEJFSGU-HNNXBMFYSA-N 1 3 346.475 1.863 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000077593382 441810961 /nfs/dbraw/zinc/81/09/61/441810961.db2.gz UECNPVXLZYXKLG-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)[N@@H+](C)C1CC1 ZINC000077593382 441810965 /nfs/dbraw/zinc/81/09/65/441810965.db2.gz UECNPVXLZYXKLG-HNNXBMFYSA-N 1 3 338.496 1.223 20 0 EDADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860871 /nfs/dbraw/zinc/86/08/71/441860871.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 1 3 346.475 1.676 20 0 EDADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860876 /nfs/dbraw/zinc/86/08/76/441860876.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 1 3 346.475 1.676 20 0 EDADHO C[C@H]1OCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000120625023 442106808 /nfs/dbraw/zinc/10/68/08/442106808.db2.gz GRINBHWXMFZYGL-LSDHHAIUSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@]1(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000167415506 442220828 /nfs/dbraw/zinc/22/08/28/442220828.db2.gz UFNXOCUIHXYPLA-LJQANCHMSA-N 1 3 331.460 1.259 20 0 EDADHO CSC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132137486 442387553 /nfs/dbraw/zinc/38/75/53/442387553.db2.gz YTNLCHSNYOVQAH-ZDUSSCGKSA-N 1 3 328.526 1.596 20 0 EDADHO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(OCCN(C)C)c1 ZINC000156762240 442517429 /nfs/dbraw/zinc/51/74/29/442517429.db2.gz ARPBSOMJGGEADU-DLBZAZTESA-N 1 3 335.492 1.998 20 0 EDADHO C[NH2+]CC(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000193134999 442716817 /nfs/dbraw/zinc/71/68/17/442716817.db2.gz ZODFNLLZFSIEAA-INIZCTEOSA-N 1 3 327.432 1.796 20 0 EDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769453 /nfs/dbraw/zinc/76/94/53/442769453.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 1 3 331.526 1.464 20 0 EDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769458 /nfs/dbraw/zinc/76/94/58/442769458.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 1 3 331.526 1.464 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246868668 442819134 /nfs/dbraw/zinc/81/91/34/442819134.db2.gz CXRTUWLMYQZISU-BBWFWOEESA-N 1 3 340.512 1.611 20 0 EDADHO CN(CCCNCc1ncc(Br)s1)CC[NH+](C)C ZINC000623087971 450398619 /nfs/dbraw/zinc/39/86/19/450398619.db2.gz RAUIMGYQSKIVMJ-UHFFFAOYSA-N 1 3 335.315 1.879 20 0 EDADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790475 443108929 /nfs/dbraw/zinc/10/89/29/443108929.db2.gz GFKSFKBPHNRSCR-INIZCTEOSA-N 1 3 326.448 1.735 20 0 EDADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1NC(C)=O ZINC000268990032 443167734 /nfs/dbraw/zinc/16/77/34/443167734.db2.gz MFITUXFDDZXWOK-CYBMUJFWSA-N 1 3 335.448 1.761 20 0 EDADHO COCc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261894955 443173393 /nfs/dbraw/zinc/17/33/93/443173393.db2.gz ASTMOBYTNWCDFR-MOPGFXCFSA-N 1 3 345.487 1.913 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000261979773 443177084 /nfs/dbraw/zinc/17/70/84/443177084.db2.gz RFWFAUKVVODFPI-XIRDDKMYSA-N 1 3 334.464 1.622 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719467 443244357 /nfs/dbraw/zinc/24/43/57/443244357.db2.gz YYGPGKRGRGNUJN-NBMJBFSESA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719467 443244359 /nfs/dbraw/zinc/24/43/59/443244359.db2.gz YYGPGKRGRGNUJN-NBMJBFSESA-N 1 3 340.508 1.786 20 0 EDADHO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719467 443244362 /nfs/dbraw/zinc/24/43/62/443244362.db2.gz YYGPGKRGRGNUJN-NBMJBFSESA-N 1 3 340.508 1.786 20 0 EDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269226863 443241004 /nfs/dbraw/zinc/24/10/04/443241004.db2.gz ARWZEFJLJBLUAD-GOEBONIOSA-N 1 3 332.448 1.306 20 0 EDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269226863 443241006 /nfs/dbraw/zinc/24/10/06/443241006.db2.gz ARWZEFJLJBLUAD-GOEBONIOSA-N 1 3 332.448 1.306 20 0 EDADHO COC1(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430644 319125379 /nfs/dbraw/zinc/12/53/79/319125379.db2.gz BSNRRKZYASRGKP-KRWDZBQOSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@H](CNC(=O)NCC1(O)CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000413583648 319280370 /nfs/dbraw/zinc/28/03/70/319280370.db2.gz BGWZWQXSWJOCOS-INIZCTEOSA-N 1 3 348.491 1.263 20 0 EDADHO C[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000414186374 319317788 /nfs/dbraw/zinc/31/77/88/319317788.db2.gz HRNUZFMXJYXNEP-HNNXBMFYSA-N 1 3 336.455 1.668 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)CCCCC1 ZINC000414678936 319340803 /nfs/dbraw/zinc/34/08/03/319340803.db2.gz WBXSEHHOJRYGFU-UHFFFAOYSA-N 1 3 344.459 1.609 20 0 EDADHO CCOC(=O)C1CCN(C(=O)CN(C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688018 319342763 /nfs/dbraw/zinc/34/27/63/319342763.db2.gz CPNSPKJYJWCXLG-HUUCEWRRSA-N 1 3 339.480 1.108 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415822611 319374011 /nfs/dbraw/zinc/37/40/11/319374011.db2.gz MQWLXRRIRHSXDC-QGZVFWFLSA-N 1 3 346.475 1.363 20 0 EDADHO COc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)N2CCCC2)cc1 ZINC000416816788 319463701 /nfs/dbraw/zinc/46/37/01/319463701.db2.gz HJJGBKGXKJBFEW-ROUUACIJSA-N 1 3 346.475 1.869 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418860235 319526909 /nfs/dbraw/zinc/52/69/09/319526909.db2.gz LULGFAZETCFCEB-DLBZAZTESA-N 1 3 346.475 1.054 20 0 EDADHO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000278774381 443434004 /nfs/dbraw/zinc/43/40/04/443434004.db2.gz YPNXWILNRKVDPW-UZLBHIALSA-N 1 3 347.503 1.847 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNC[C@@H]1CCCO1 ZINC000423741933 319809383 /nfs/dbraw/zinc/80/93/83/319809383.db2.gz KTWIHEKXUFGZPZ-SFHVURJKSA-N 1 3 333.476 1.865 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)N1CCCCC1 ZINC000444358749 320127817 /nfs/dbraw/zinc/12/78/17/320127817.db2.gz ARNLTMAQJUMUIG-AEFFLSMTSA-N 1 3 339.524 1.801 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1)N1CCCCC1 ZINC000444358749 320127818 /nfs/dbraw/zinc/12/78/18/320127818.db2.gz ARNLTMAQJUMUIG-AEFFLSMTSA-N 1 3 339.524 1.801 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449385004 320186215 /nfs/dbraw/zinc/18/62/15/320186215.db2.gz DDCIPMBEEDRGOD-SFHVURJKSA-N 1 3 329.448 1.512 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458787252 320341387 /nfs/dbraw/zinc/34/13/87/320341387.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458787252 320341388 /nfs/dbraw/zinc/34/13/88/320341388.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 1 3 328.501 1.253 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1cccnc1 ZINC000491438082 320369782 /nfs/dbraw/zinc/36/97/82/320369782.db2.gz ZHJKKXYQICCLIV-LPADLIQXSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C\c1cccnc1 ZINC000491438082 320369783 /nfs/dbraw/zinc/36/97/83/320369783.db2.gz ZHJKKXYQICCLIV-LPADLIQXSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cccnc1 ZINC000491438081 320369797 /nfs/dbraw/zinc/36/97/97/320369797.db2.gz ZHJKKXYQICCLIV-HJCTWCACSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C\c1cccnc1 ZINC000491438081 320369798 /nfs/dbraw/zinc/36/97/98/320369798.db2.gz ZHJKKXYQICCLIV-HJCTWCACSA-N 1 3 330.476 1.969 20 0 EDADHO [NH3+]CC[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)C(F)F ZINC000519704080 320471445 /nfs/dbraw/zinc/47/14/45/320471445.db2.gz NJAOPWXKRIWANB-OAHLLOKOSA-N 1 3 340.418 1.297 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000288171416 443792998 /nfs/dbraw/zinc/79/29/98/443792998.db2.gz MQWAFJWTQOLTFJ-YOEHRIQHSA-N 1 3 334.464 1.003 20 0 EDADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241915 320617180 /nfs/dbraw/zinc/61/71/80/320617180.db2.gz RTKOBOPYXJONSM-HOCLYGCPSA-N 1 3 325.497 1.770 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000531118984 320649419 /nfs/dbraw/zinc/64/94/19/320649419.db2.gz STLJADPUWRXVPO-UHFFFAOYSA-N 1 3 343.475 1.497 20 0 EDADHO C[NH+](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285178074 443884836 /nfs/dbraw/zinc/88/48/36/443884836.db2.gz QDLBZLOBFRPUJZ-HNNXBMFYSA-N 1 3 325.403 1.822 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc2c(c1)CCCC2 ZINC000532013846 320671444 /nfs/dbraw/zinc/67/14/44/320671444.db2.gz KGHVWEAIPKYHBU-UHFFFAOYSA-N 1 3 347.503 1.896 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000554232479 320949295 /nfs/dbraw/zinc/94/92/95/320949295.db2.gz INMAQDDJUAVZQK-HNNXBMFYSA-N 1 3 340.512 1.262 20 0 EDADHO COc1cc(C[NH2+]CCCCN2CCN(CCO)CC2)ccc1C ZINC000562502134 321060194 /nfs/dbraw/zinc/06/01/94/321060194.db2.gz SQOOMWPCFVFJGW-UHFFFAOYSA-N 1 3 335.492 1.483 20 0 EDADHO COc1ccc2c(c1)OC[C@H]([NH2+]CCCCN1CCN(C)CC1)C2 ZINC000562775044 321076151 /nfs/dbraw/zinc/07/61/51/321076151.db2.gz XUZHTKPGNURKBG-QGZVFWFLSA-N 1 3 333.476 1.616 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000564823879 321150369 /nfs/dbraw/zinc/15/03/69/321150369.db2.gz MYFXFKZXFJZLDK-GIYDNNGJSA-N 1 3 347.503 1.749 20 0 EDADHO CN(CCN[C@@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000565225845 321176723 /nfs/dbraw/zinc/17/67/23/321176723.db2.gz GRSJDTNSWKKSPB-UONOGXRCSA-N 1 3 329.441 1.306 20 0 EDADHO [NH3+]C1CCC(OCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000567584239 321246807 /nfs/dbraw/zinc/24/68/07/321246807.db2.gz ILWSGHLSARKIQA-LXPRWKDFSA-N 1 3 331.460 1.664 20 0 EDADHO C[C@@]1(CNC(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]C1 ZINC000570815143 321359936 /nfs/dbraw/zinc/35/99/36/321359936.db2.gz ANXQIVFMZKEFTK-LJQANCHMSA-N 1 3 345.491 1.987 20 0 EDADHO OCCN1CCN(CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000570893194 321361786 /nfs/dbraw/zinc/36/17/86/321361786.db2.gz WZNZMORRTWIASO-UHFFFAOYSA-N 1 3 331.504 1.381 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289316348 444106183 /nfs/dbraw/zinc/10/61/83/444106183.db2.gz SPFKAEHEILCFBT-HZPDHXFCSA-N 1 3 334.416 1.375 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289316348 444106187 /nfs/dbraw/zinc/10/61/87/444106187.db2.gz SPFKAEHEILCFBT-HZPDHXFCSA-N 1 3 334.416 1.375 20 0 EDADHO Cc1ccsc1CNC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000289546444 444168959 /nfs/dbraw/zinc/16/89/59/444168959.db2.gz WZCDHSGEFDTVNR-UHFFFAOYSA-N 1 3 340.537 1.488 20 0 EDADHO CCN1CCN(c2ccccc2CNC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000305205431 444265022 /nfs/dbraw/zinc/26/50/22/444265022.db2.gz CLDDPBJUDGNYKN-LJQANCHMSA-N 1 3 334.508 1.231 20 0 EDADHO O=C(Nc1cccc2c1CCNC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000577382652 321647872 /nfs/dbraw/zinc/64/78/72/321647872.db2.gz MEDPAOGCPSCXFF-CYBMUJFWSA-N 1 3 326.404 1.101 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000577769410 321681671 /nfs/dbraw/zinc/68/16/71/321681671.db2.gz KHLIPWPCSGFBCY-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@@H](N)c1ccccc1 ZINC000577868628 321690291 /nfs/dbraw/zinc/69/02/91/321690291.db2.gz CKCRPDSGHGNRMK-USXIJHARSA-N 1 3 331.460 1.536 20 0 EDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000578872193 321845897 /nfs/dbraw/zinc/84/58/97/321845897.db2.gz SDJVYUGFJWRAIS-KSSFIOAISA-N 1 3 331.460 1.827 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000327526549 444382903 /nfs/dbraw/zinc/38/29/03/444382903.db2.gz IYDJLHOLWFEYOR-YTQUADARSA-N 1 3 346.519 1.711 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NCCN2[C@H](C)CCC[C@H]2C)CC1 ZINC000580573923 322070518 /nfs/dbraw/zinc/07/05/18/322070518.db2.gz SIYLAXFRRVKRCB-HZPDHXFCSA-N 1 3 340.512 1.659 20 0 EDADHO CC1(C)CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725324 322088239 /nfs/dbraw/zinc/08/82/39/322088239.db2.gz ARNYBBBWWDSULR-DLBZAZTESA-N 1 3 330.476 1.948 20 0 EDADHO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000580908333 322111239 /nfs/dbraw/zinc/11/12/39/322111239.db2.gz IOONCURCKOEPJN-ULQDDVLXSA-N 1 3 334.485 1.979 20 0 EDADHO COc1cc(CNC(=O)CN2CC[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000581616844 322200580 /nfs/dbraw/zinc/20/05/80/322200580.db2.gz ZZVFDYVLNDVKBQ-OAHLLOKOSA-N 1 3 349.475 1.594 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000581998748 322242442 /nfs/dbraw/zinc/24/24/42/322242442.db2.gz VOYHZHAKEYPQIA-QGZVFWFLSA-N 1 3 335.492 1.350 20 0 EDADHO Cc1ccc2nc(C[NH2+]CCCCN3CCN(CCO)CC3)cn2c1 ZINC000341005922 444627274 /nfs/dbraw/zinc/62/72/74/444627274.db2.gz GCZOQUBTESCJCU-UHFFFAOYSA-N 1 3 345.491 1.122 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444596006 /nfs/dbraw/zinc/59/60/06/444596006.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 1 3 333.476 1.327 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444596013 /nfs/dbraw/zinc/59/60/13/444596013.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 1 3 333.476 1.327 20 0 EDADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCOC2(CNC2)C1 ZINC000333161633 444644464 /nfs/dbraw/zinc/64/44/64/444644464.db2.gz GNNWKQFXBQSASW-UHFFFAOYSA-N 1 3 336.480 1.167 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333818323 444700783 /nfs/dbraw/zinc/70/07/83/444700783.db2.gz KLNGVQPPTJZGBN-XYJFISCASA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)NCCNc2ccncc2)cc1 ZINC000342511004 444724051 /nfs/dbraw/zinc/72/40/51/444724051.db2.gz NXNCUNOPJHTVGN-UHFFFAOYSA-N 1 3 341.459 1.519 20 0 EDADHO C[C@@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[N@H+](C)Cc1ccccc1 ZINC000344061534 444758721 /nfs/dbraw/zinc/75/87/21/444758721.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 1 3 344.503 1.403 20 0 EDADHO C[C@@H](CCNC(=O)[C@@H]1CN2CCN1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000344061534 444758727 /nfs/dbraw/zinc/75/87/27/444758727.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 1 3 344.503 1.403 20 0 EDADHO CN(C[C@H](O)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797061 /nfs/dbraw/zinc/79/70/61/444797061.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 1 3 343.515 1.895 20 0 EDADHO CN(C[C@H](O)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797065 /nfs/dbraw/zinc/79/70/65/444797065.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 1 3 343.515 1.895 20 0 EDADHO CCC[N@H+](CCN1CCN(CC)CC1)CCN1CCOC[C@@H]1C ZINC000344131038 444798613 /nfs/dbraw/zinc/79/86/13/444798613.db2.gz NEYYNHJCQJSHEJ-SFHVURJKSA-N 1 3 326.529 1.057 20 0 EDADHO CCC[N@@H+](CCN1CCN(CC)CC1)CCN1CCOC[C@@H]1C ZINC000344131038 444798618 /nfs/dbraw/zinc/79/86/18/444798618.db2.gz NEYYNHJCQJSHEJ-SFHVURJKSA-N 1 3 326.529 1.057 20 0 EDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000336868785 444812406 /nfs/dbraw/zinc/81/24/06/444812406.db2.gz ZEZQQDWRNYNGCV-UONOGXRCSA-N 1 3 327.494 1.785 20 0 EDADHO C[C@H](NCCCN1CCN(c2cc[nH+]cc2)CC1)c1nccn1C ZINC000341690126 444949395 /nfs/dbraw/zinc/94/93/95/444949395.db2.gz AHAHWHDICCSWIT-INIZCTEOSA-N 1 3 328.464 1.678 20 0 EDADHO COC(=O)CC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337329706 445034790 /nfs/dbraw/zinc/03/47/90/445034790.db2.gz FJILRFKQCLLHHU-UHFFFAOYSA-N 1 3 325.497 1.678 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000343020550 445009711 /nfs/dbraw/zinc/00/97/11/445009711.db2.gz QUFNQHRSVLKFFL-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO OCCN1CCN(CCCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000337380509 445056606 /nfs/dbraw/zinc/05/66/06/445056606.db2.gz IUSHGTBZTOJSDC-GOSISDBHSA-N 1 3 339.524 1.315 20 0 EDADHO CCN1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000330658121 445083365 /nfs/dbraw/zinc/08/33/65/445083365.db2.gz QFJQNCRGXSRNCW-GOEBONIOSA-N 1 3 325.478 1.285 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343363018 445210548 /nfs/dbraw/zinc/21/05/48/445210548.db2.gz GBUZQXQBMZFAGH-CRAIPNDOSA-N 1 3 335.496 1.113 20 0 EDADHO CC[N@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1)C(C)C ZINC000343682879 445300980 /nfs/dbraw/zinc/30/09/80/445300980.db2.gz HFDZIPGPGXICFJ-MRXNPFEDSA-N 1 3 340.512 1.214 20 0 EDADHO CC[N@@H+](CCNC(=O)C(=O)N[C@H](C)CN1CCCCCC1)C(C)C ZINC000343682879 445300983 /nfs/dbraw/zinc/30/09/83/445300983.db2.gz HFDZIPGPGXICFJ-MRXNPFEDSA-N 1 3 340.512 1.214 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1 ZINC000351822916 445333847 /nfs/dbraw/zinc/33/38/47/445333847.db2.gz PNBBRCSFXKCHOF-ZWKOTPCHSA-N 1 3 344.503 1.785 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000362495094 445411521 /nfs/dbraw/zinc/41/15/21/445411521.db2.gz VACGIUVICYQTBZ-YCPHGPKFSA-N 1 3 328.526 1.452 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000362495094 445411525 /nfs/dbraw/zinc/41/15/25/445411525.db2.gz VACGIUVICYQTBZ-YCPHGPKFSA-N 1 3 328.526 1.452 20 0 EDADHO CN1CCN(c2ncc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)CC1 ZINC000357050372 445395609 /nfs/dbraw/zinc/39/56/09/445395609.db2.gz MKLBDLNXBSXLKM-SFHVURJKSA-N 1 3 344.507 1.050 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000360002217 445521713 /nfs/dbraw/zinc/52/17/13/445521713.db2.gz ANOOFHZQNROBOO-SJORKVTESA-N 1 3 337.489 1.415 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355964015 445547390 /nfs/dbraw/zinc/54/73/90/445547390.db2.gz ARWUUKNYEACRFY-OAHLLOKOSA-N 1 3 328.501 1.515 20 0 EDADHO CN(C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356091123 445615390 /nfs/dbraw/zinc/61/53/90/445615390.db2.gz GQDHJSVBLDDUMV-QGZVFWFLSA-N 1 3 327.432 1.518 20 0 EDADHO CSC1(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)CC[NH+](C)CC1 ZINC000357910703 445592135 /nfs/dbraw/zinc/59/21/35/445592135.db2.gz CGRYYXPPHPMXOH-AWEZNQCLSA-N 1 3 340.537 1.763 20 0 EDADHO C[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000360248143 445654900 /nfs/dbraw/zinc/65/49/00/445654900.db2.gz GECHXGAIIIFTBC-HLLBOEOZSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[N@H+]1CCC[C@@H](C)C1 ZINC000360248143 445654903 /nfs/dbraw/zinc/65/49/03/445654903.db2.gz GECHXGAIIIFTBC-HLLBOEOZSA-N 1 3 342.553 1.843 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@H](N)CCSC)CCCC2)CC1 ZINC000353583080 445666608 /nfs/dbraw/zinc/66/66/08/445666608.db2.gz UQTMNACFHSLBGB-OAHLLOKOSA-N 1 3 343.537 1.607 20 0 EDADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000353683659 445705608 /nfs/dbraw/zinc/70/56/08/445705608.db2.gz ZMOVIIBFCKZLSF-MOPGFXCFSA-N 1 3 343.475 1.803 20 0 EDADHO CC[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000353683659 445705613 /nfs/dbraw/zinc/70/56/13/445705613.db2.gz ZMOVIIBFCKZLSF-MOPGFXCFSA-N 1 3 343.475 1.803 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000353683398 445705735 /nfs/dbraw/zinc/70/57/35/445705735.db2.gz FMAACUIELQPHEB-ROUUACIJSA-N 1 3 333.476 1.458 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000349915983 445720882 /nfs/dbraw/zinc/72/08/82/445720882.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000349915983 445720886 /nfs/dbraw/zinc/72/08/86/445720886.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 1 3 338.496 1.413 20 0 EDADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000363083754 445671029 /nfs/dbraw/zinc/67/10/29/445671029.db2.gz AROYNZYEVYWFML-ZWKOTPCHSA-N 1 3 346.475 1.411 20 0 EDADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000358721816 445742169 /nfs/dbraw/zinc/74/21/69/445742169.db2.gz NSPPBUFRZXWHEA-GOSISDBHSA-N 1 3 334.464 1.004 20 0 EDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000358721816 445742170 /nfs/dbraw/zinc/74/21/70/445742170.db2.gz NSPPBUFRZXWHEA-GOSISDBHSA-N 1 3 334.464 1.004 20 0 EDADHO CN(C)[C@]1(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865271 445818571 /nfs/dbraw/zinc/81/85/71/445818571.db2.gz MHTPOMSIKMKSJM-ZBFHGGJFSA-N 1 3 325.453 1.422 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000353887477 445798763 /nfs/dbraw/zinc/79/87/63/445798763.db2.gz JMTOEEXJFHRMEK-CABCVRRESA-N 1 3 347.463 1.405 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000353887477 445798766 /nfs/dbraw/zinc/79/87/66/445798766.db2.gz JMTOEEXJFHRMEK-CABCVRRESA-N 1 3 347.463 1.405 20 0 EDADHO c1ccc(-n2nnnc2CCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000582836233 325939191 /nfs/dbraw/zinc/93/91/91/325939191.db2.gz TVHBLFVYPJYZCB-KRWDZBQOSA-N 1 3 326.448 1.669 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000369238786 446014237 /nfs/dbraw/zinc/01/42/37/446014237.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000369238786 446014242 /nfs/dbraw/zinc/01/42/42/446014242.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000365085340 446014411 /nfs/dbraw/zinc/01/44/11/446014411.db2.gz DOCKERNMPQNDQF-SJORKVTESA-N 1 3 338.496 1.367 20 0 EDADHO C[NH2+]CCc1ccccc1C(=O)NCCCCN1CCN(C)CC1 ZINC000583567915 326097864 /nfs/dbraw/zinc/09/78/64/326097864.db2.gz PVIDIESTPPBHTO-UHFFFAOYSA-N 1 3 332.492 1.206 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cncc(C(F)(F)F)c1 ZINC000583658503 326112397 /nfs/dbraw/zinc/11/23/97/326112397.db2.gz DLFADAGYIRZWHH-UHFFFAOYSA-N 1 3 332.370 1.666 20 0 EDADHO CC[C@@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)N(C)C ZINC000366295616 446134954 /nfs/dbraw/zinc/13/49/54/446134954.db2.gz MIMJPISLASNDQT-KRWDZBQOSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H](CNC(=O)N1CCC(OCCN(C)C)CC1)C[NH+]1CCCC1 ZINC000359350127 446167879 /nfs/dbraw/zinc/16/78/79/446167879.db2.gz JEPJXANROGEEEV-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369683113 446145726 /nfs/dbraw/zinc/14/57/26/446145726.db2.gz IYJLDSADZXEPHN-CQSZACIVSA-N 1 3 336.484 2.002 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369683113 446145731 /nfs/dbraw/zinc/14/57/31/446145731.db2.gz IYJLDSADZXEPHN-CQSZACIVSA-N 1 3 336.484 2.002 20 0 EDADHO CCN(CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000369681034 446146075 /nfs/dbraw/zinc/14/60/75/446146075.db2.gz HDPPUSRIXVCXSS-UHFFFAOYSA-N 1 3 334.468 1.756 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299649 446152389 /nfs/dbraw/zinc/15/23/89/446152389.db2.gz AFEQUJVFVHBBGS-HZPDHXFCSA-N 1 3 332.448 1.379 20 0 EDADHO CN(C)CCOc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299649 446152395 /nfs/dbraw/zinc/15/23/95/446152395.db2.gz AFEQUJVFVHBBGS-HZPDHXFCSA-N 1 3 332.448 1.379 20 0 EDADHO COCC1(C(=O)N2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000366419874 446203458 /nfs/dbraw/zinc/20/34/58/446203458.db2.gz UOOUFTPLMJHYJO-HZPDHXFCSA-N 1 3 335.423 1.095 20 0 EDADHO CCCN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227535 /nfs/dbraw/zinc/22/75/35/446227535.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CCCN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227540 /nfs/dbraw/zinc/22/75/40/446227540.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO COCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000362151048 446238016 /nfs/dbraw/zinc/23/80/16/446238016.db2.gz RKHVSVIEVLAUEC-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)N(C)C)cc1 ZINC000417318327 446343548 /nfs/dbraw/zinc/34/35/48/446343548.db2.gz YMDFVTISKZNQIO-IAGOWNOFSA-N 1 3 334.464 1.357 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490037 446354477 /nfs/dbraw/zinc/35/44/77/446354477.db2.gz GKNCKUWFSJCYMT-NJAFHUGGSA-N 1 3 348.491 1.827 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490038 446355252 /nfs/dbraw/zinc/35/52/52/446355252.db2.gz GKNCKUWFSJCYMT-NXHRZFHOSA-N 1 3 348.491 1.827 20 0 EDADHO COC(=O)[C@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000374324336 446362781 /nfs/dbraw/zinc/36/27/81/446362781.db2.gz KGLJZJUYWYLKHW-MRXNPFEDSA-N 1 3 325.497 1.534 20 0 EDADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)CC1(C)C ZINC000374324336 446362784 /nfs/dbraw/zinc/36/27/84/446362784.db2.gz KGLJZJUYWYLKHW-MRXNPFEDSA-N 1 3 325.497 1.534 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccn1 ZINC000417949263 446395277 /nfs/dbraw/zinc/39/52/77/446395277.db2.gz KCYLQVMAIDYDRM-MRXNPFEDSA-N 1 3 349.479 1.306 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000420268835 446442151 /nfs/dbraw/zinc/44/21/51/446442151.db2.gz HEGPLOIFJAUQCD-CGTJXYLNSA-N 1 3 332.492 1.607 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@@H](c1ccccc1)N(C)C ZINC000418179649 446448456 /nfs/dbraw/zinc/44/84/56/446448456.db2.gz JQQCIHPJCMBGOX-AEFFLSMTSA-N 1 3 347.507 1.272 20 0 EDADHO C[N@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2ccncc2)CC1 ZINC000374834962 446412895 /nfs/dbraw/zinc/41/28/95/446412895.db2.gz BTYXUFJYESRGLG-SFHVURJKSA-N 1 3 346.475 1.213 20 0 EDADHO C[N@@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2ccncc2)CC1 ZINC000374834962 446412898 /nfs/dbraw/zinc/41/28/98/446412898.db2.gz BTYXUFJYESRGLG-SFHVURJKSA-N 1 3 346.475 1.213 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418007767 446413357 /nfs/dbraw/zinc/41/33/57/446413357.db2.gz GOKUKAWGRNZHFH-KONPQCLYSA-N 1 3 330.476 1.899 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418007767 446413361 /nfs/dbraw/zinc/41/33/61/446413361.db2.gz GOKUKAWGRNZHFH-KONPQCLYSA-N 1 3 330.476 1.899 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000418009950 446414454 /nfs/dbraw/zinc/41/44/54/446414454.db2.gz IWGOQGMFWNANAJ-NXHRZFHOSA-N 1 3 330.476 1.900 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017814 446417460 /nfs/dbraw/zinc/41/74/60/446417460.db2.gz UDTSIONBESNKNB-DDBAPUKQSA-N 1 3 328.460 1.510 20 0 EDADHO CCCNC(=O)C1([NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)CCCCC1 ZINC000420301221 446464603 /nfs/dbraw/zinc/46/46/03/446464603.db2.gz LEYJJZAPYCOALV-ROUUACIJSA-N 1 3 347.503 1.736 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314385 446480129 /nfs/dbraw/zinc/48/01/29/446480129.db2.gz VSWFSJHRKWYEQF-HKUYNNGSSA-N 1 3 330.476 1.091 20 0 EDADHO COc1ccc(NC(=O)CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320331 446485988 /nfs/dbraw/zinc/48/59/88/446485988.db2.gz BIQQLLBNHILTQA-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420320331 446485991 /nfs/dbraw/zinc/48/59/91/446485991.db2.gz BIQQLLBNHILTQA-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1 ZINC000420320331 446485994 /nfs/dbraw/zinc/48/59/94/446485994.db2.gz BIQQLLBNHILTQA-OAHLLOKOSA-N 1 3 347.459 1.711 20 0 EDADHO O=C(COC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000423323050 446487578 /nfs/dbraw/zinc/48/75/78/446487578.db2.gz JIUTZKGYJFUILX-UHFFFAOYSA-N 1 3 341.521 1.233 20 0 EDADHO C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000423329012 446489982 /nfs/dbraw/zinc/48/99/82/446489982.db2.gz MOXZKQBPKJSGGD-OWCLPIDISA-N 1 3 347.507 1.737 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343872 446514576 /nfs/dbraw/zinc/51/45/76/446514576.db2.gz RQCKBHQNDOVLKA-BMFZPTHFSA-N 1 3 344.459 1.434 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357569 446497904 /nfs/dbraw/zinc/49/79/04/446497904.db2.gz IKQYGIYIZJDMDY-QLFBSQMISA-N 1 3 333.480 1.727 20 0 EDADHO CCC[NH2+]CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000418481697 446560210 /nfs/dbraw/zinc/56/02/10/446560210.db2.gz UTLQBLONURVNDT-UHFFFAOYSA-N 1 3 333.480 1.939 20 0 EDADHO CC(C)C[C@H](C)N(C)C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386370 446561029 /nfs/dbraw/zinc/56/10/29/446561029.db2.gz IGDDQTQWZSDRJC-BBWFWOEESA-N 1 3 337.508 1.580 20 0 EDADHO C[C@@H](C1CC1)N(C(=O)CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385460 446561192 /nfs/dbraw/zinc/56/11/92/446561192.db2.gz GWVCQRHCAMUELC-QGTPRVQTSA-N 1 3 347.503 1.476 20 0 EDADHO COC(=O)c1cc(CN(C)CCC[NH+]2CCN(C)CC2)cs1 ZINC000411409969 446526850 /nfs/dbraw/zinc/52/68/50/446526850.db2.gz AECMUELZOHELMM-UHFFFAOYSA-N 1 3 325.478 1.604 20 0 EDADHO Cc1cc(C)n(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)n1 ZINC000420350062 446527437 /nfs/dbraw/zinc/52/74/37/446527437.db2.gz RGNRRAHWFHHKDJ-HXUWFJFHSA-N 1 3 339.487 1.969 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418400619 446529863 /nfs/dbraw/zinc/52/98/63/446529863.db2.gz YCEUYMSTIZBHEV-JYJNAYRXSA-N 1 3 340.512 1.373 20 0 EDADHO CCCNC(=O)CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000411428806 446537052 /nfs/dbraw/zinc/53/70/52/446537052.db2.gz SWVCPEPGRBGVEU-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000453068509 446541352 /nfs/dbraw/zinc/54/13/52/446541352.db2.gz MUMGVFJPUILXIP-QGZVFWFLSA-N 1 3 339.487 1.945 20 0 EDADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420364139 446544251 /nfs/dbraw/zinc/54/42/51/446544251.db2.gz IHYJZZFICCZVKT-MDZRGWNJSA-N 1 3 344.503 1.435 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515572 446576252 /nfs/dbraw/zinc/57/62/52/446576252.db2.gz BQHLSLIWJJIZEX-RDJZCZTQSA-N 1 3 333.480 1.815 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418541397 446586553 /nfs/dbraw/zinc/58/65/53/446586553.db2.gz QIHTYCWRMBMYKQ-VDZJLULYSA-N 1 3 346.475 1.063 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423650547 446625220 /nfs/dbraw/zinc/62/52/20/446625220.db2.gz LELNPXJBEFZARJ-QGZVFWFLSA-N 1 3 345.443 1.751 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000423650547 446625228 /nfs/dbraw/zinc/62/52/28/446625228.db2.gz LELNPXJBEFZARJ-QGZVFWFLSA-N 1 3 345.443 1.751 20 0 EDADHO CCC[C@@]1(CO)CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411652458 446634018 /nfs/dbraw/zinc/63/40/18/446634018.db2.gz YVFLXQCXBKJCED-SFHVURJKSA-N 1 3 325.497 1.602 20 0 EDADHO CN1CCN(CC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000423770087 446696587 /nfs/dbraw/zinc/69/65/87/446696587.db2.gz ZFYSXODXDJDSKV-KRWDZBQOSA-N 1 3 336.524 1.251 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830436 446719330 /nfs/dbraw/zinc/71/93/30/446719330.db2.gz ASMMXPDKNXQVLI-GDBMZVCRSA-N 1 3 341.459 1.737 20 0 EDADHO C[C@H](NC(=O)CNC[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423860743 446733917 /nfs/dbraw/zinc/73/39/17/446733917.db2.gz AVBUZDGRZRWVRR-QXAKKESOSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@H](NC(=O)CNC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423860743 446733924 /nfs/dbraw/zinc/73/39/24/446733924.db2.gz AVBUZDGRZRWVRR-QXAKKESOSA-N 1 3 345.487 1.782 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758972 446679098 /nfs/dbraw/zinc/67/90/98/446679098.db2.gz KAJIKGBQDWDEOW-VHDGCEQUSA-N 1 3 342.434 1.642 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418758972 446679100 /nfs/dbraw/zinc/67/91/00/446679100.db2.gz KAJIKGBQDWDEOW-VHDGCEQUSA-N 1 3 342.434 1.642 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418869869 446762453 /nfs/dbraw/zinc/76/24/53/446762453.db2.gz XSWZTKYFBWXNHK-DLBZAZTESA-N 1 3 346.475 1.135 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959486 446798075 /nfs/dbraw/zinc/79/80/75/446798075.db2.gz CJOIJYMHIVUPGE-SFHVURJKSA-N 1 3 332.492 1.610 20 0 EDADHO CCCCCNC(=O)[C@@H](C)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425001 446846564 /nfs/dbraw/zinc/84/65/64/446846564.db2.gz QSXADLKBLFBKFR-AEFFLSMTSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCC[C@H]1C ZINC000424127003 446857857 /nfs/dbraw/zinc/85/78/57/446857857.db2.gz CMFYYTATHRTTKF-QLFBSQMISA-N 1 3 334.468 1.195 20 0 EDADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000424340228 446867364 /nfs/dbraw/zinc/86/73/64/446867364.db2.gz XJLFDXVSVHSZEW-ZACQAIPSSA-N 1 3 335.423 1.585 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371556785 446931241 /nfs/dbraw/zinc/93/12/41/446931241.db2.gz FJIJVWGSCPOPNU-IAGOWNOFSA-N 1 3 340.512 1.661 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)[C@H]2CCCN2C2CCOCC2)CC1 ZINC000372115091 447009577 /nfs/dbraw/zinc/00/95/77/447009577.db2.gz DCLMTERRRJKZKH-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419220689 447017066 /nfs/dbraw/zinc/01/70/66/447017066.db2.gz VIRASJWNGZLHKE-QGZVFWFLSA-N 1 3 346.475 1.093 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419220689 447017070 /nfs/dbraw/zinc/01/70/70/447017070.db2.gz VIRASJWNGZLHKE-QGZVFWFLSA-N 1 3 346.475 1.093 20 0 EDADHO COc1cc2nccc(NCC3CC[NH+](CCO)CC3)c2cc1OC ZINC000413125661 447019072 /nfs/dbraw/zinc/01/90/72/447019072.db2.gz GFTLDGUDJOSBOY-UHFFFAOYSA-N 1 3 345.443 1.790 20 0 EDADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000443063129 447001742 /nfs/dbraw/zinc/00/17/42/447001742.db2.gz VZQGPUDWAZNRGD-MRXNPFEDSA-N 1 3 348.466 1.535 20 0 EDADHO COCCC[N@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445145490 447174731 /nfs/dbraw/zinc/17/47/31/447174731.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 1 3 328.501 1.376 20 0 EDADHO COCCC[N@@H+](C)CCNC(=O)NCCN1CCCC(C)(C)C1 ZINC000445145490 447174740 /nfs/dbraw/zinc/17/47/40/447174740.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 1 3 328.501 1.376 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@@H+]1CCCC[C@H]1C ZINC000455668664 447204613 /nfs/dbraw/zinc/20/46/13/447204613.db2.gz LXAAAQZKKPGETK-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H](CNC(=O)Nc1ccnn1CCN(C)C)[N@H+]1CCCC[C@H]1C ZINC000455668664 447204619 /nfs/dbraw/zinc/20/46/19/447204619.db2.gz LXAAAQZKKPGETK-CABCVRRESA-N 1 3 336.484 1.829 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419478377 447210465 /nfs/dbraw/zinc/21/04/65/447210465.db2.gz JJRLPJZKHCUVEY-CVEARBPZSA-N 1 3 340.512 1.247 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419478377 447210475 /nfs/dbraw/zinc/21/04/75/447210475.db2.gz JJRLPJZKHCUVEY-CVEARBPZSA-N 1 3 340.512 1.247 20 0 EDADHO C[C@H](NC(=O)C(=O)N[C@H](CN)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535864 447247637 /nfs/dbraw/zinc/24/76/37/447247637.db2.gz AFGXCZICGXBTLJ-DZGCQCFKSA-N 1 3 340.512 1.103 20 0 EDADHO COCCn1cc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cn1 ZINC000377683335 447292472 /nfs/dbraw/zinc/29/24/72/447292472.db2.gz ZYIYSHYHDOJZIL-GOSISDBHSA-N 1 3 335.496 1.131 20 0 EDADHO COCCn1cc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cn1 ZINC000377683335 447292475 /nfs/dbraw/zinc/29/24/75/447292475.db2.gz ZYIYSHYHDOJZIL-GOSISDBHSA-N 1 3 335.496 1.131 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000369001775 447256665 /nfs/dbraw/zinc/25/66/65/447256665.db2.gz QSECHQHHTCSQOE-QGZVFWFLSA-N 1 3 349.519 1.822 20 0 EDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000494711243 447455094 /nfs/dbraw/zinc/45/50/94/447455094.db2.gz NWQCGJNJSIHIED-KGLIPLIRSA-N 1 3 327.469 1.479 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424276 447577508 /nfs/dbraw/zinc/57/75/08/447577508.db2.gz QFNSIRDZZIQRNL-MSOLQXFVSA-N 1 3 348.491 1.435 20 0 EDADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1ccccc1 ZINC000457424276 447577516 /nfs/dbraw/zinc/57/75/16/447577516.db2.gz QFNSIRDZZIQRNL-MSOLQXFVSA-N 1 3 348.491 1.435 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCN2CCCO)cc1 ZINC000457516573 447585677 /nfs/dbraw/zinc/58/56/77/447585677.db2.gz FHTZGXFXOSSWPP-SFHVURJKSA-N 1 3 348.491 1.394 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000398192201 447556860 /nfs/dbraw/zinc/55/68/60/447556860.db2.gz ZULCNDDGHVFCLA-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)CNC1 ZINC000398192201 447556865 /nfs/dbraw/zinc/55/68/65/447556865.db2.gz ZULCNDDGHVFCLA-RDJZCZTQSA-N 1 3 331.460 1.392 20 0 EDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCCN1CCO ZINC000457811760 447637571 /nfs/dbraw/zinc/63/75/71/447637571.db2.gz OBFUFPANSHNNDU-HOTGVXAUSA-N 1 3 328.501 1.109 20 0 EDADHO C[N@H+](CCCCNC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000459156347 447598188 /nfs/dbraw/zinc/59/81/88/447598188.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC[C@H]1CCCCN1CCO)C1CC1 ZINC000459156347 447598195 /nfs/dbraw/zinc/59/81/95/447598195.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 1 3 326.485 1.007 20 0 EDADHO CC(C)N1CCCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420117117 447612599 /nfs/dbraw/zinc/61/25/99/447612599.db2.gz HOHMRYXQWMZLPN-OAHLLOKOSA-N 1 3 346.475 1.265 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124174 447617454 /nfs/dbraw/zinc/61/74/54/447617454.db2.gz LWYNXBMZDRZBBA-KEYYUXOJSA-N 1 3 346.475 1.167 20 0 EDADHO Cn1cncc1CC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000459425537 447662682 /nfs/dbraw/zinc/66/26/82/447662682.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 1 3 328.460 1.531 20 0 EDADHO Cn1cncc1CC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000459425537 447662685 /nfs/dbraw/zinc/66/26/85/447662685.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 1 3 328.460 1.531 20 0 EDADHO CN(CCc1cncn1C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000459425537 447662690 /nfs/dbraw/zinc/66/26/90/447662690.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 1 3 328.460 1.531 20 0 EDADHO CN(CCc1cncn1C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459425537 447662693 /nfs/dbraw/zinc/66/26/93/447662693.db2.gz KVUJYBFAFCGLRB-IBGZPJMESA-N 1 3 328.460 1.531 20 0 EDADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923261 447711436 /nfs/dbraw/zinc/71/14/36/447711436.db2.gz NTZZQCDNNSAZKF-NVXWUHKLSA-N 1 3 334.464 1.739 20 0 EDADHO C[C@H]([NH2+]CCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCCN1 ZINC000422708701 447722880 /nfs/dbraw/zinc/72/28/80/447722880.db2.gz CGWLIDFSTOOSQF-ROUUACIJSA-N 1 3 346.523 1.499 20 0 EDADHO C[C@H](NCCCCN1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422708701 447722881 /nfs/dbraw/zinc/72/28/81/447722881.db2.gz CGWLIDFSTOOSQF-ROUUACIJSA-N 1 3 346.523 1.499 20 0 EDADHO C[NH2+]CCCNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000417014999 447729564 /nfs/dbraw/zinc/72/95/64/447729564.db2.gz GCRNBWWSOVYDNX-SFHVURJKSA-N 1 3 347.507 1.274 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccc(Br)cc1 ZINC000422727049 447730548 /nfs/dbraw/zinc/73/05/48/447730548.db2.gz BJLWVSGIZFLBBE-QWRGUYRKSA-N 1 3 328.254 1.894 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN[C@H]2C(=O)OCC)[C@H](C)C1 ZINC000422743100 447736099 /nfs/dbraw/zinc/73/60/99/447736099.db2.gz HVXVDYPEKYHMKV-YYIAUSFCSA-N 1 3 341.496 1.007 20 0 EDADHO C[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422804001 447755403 /nfs/dbraw/zinc/75/54/03/447755403.db2.gz GSWXRNQEAMUJSC-HHXXYDBFSA-N 1 3 331.460 1.553 20 0 EDADHO CN1CCC(O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496325914 447756298 /nfs/dbraw/zinc/75/62/98/447756298.db2.gz KWJWEEAXVKDGDD-UHFFFAOYSA-N 1 3 327.469 1.338 20 0 EDADHO CCC(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])N1CCOCC1 ZINC000422818371 447758482 /nfs/dbraw/zinc/75/84/82/447758482.db2.gz KCUIYLUSAIJOSH-SPUZQDLCSA-N 1 3 327.513 1.465 20 0 EDADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)N1CCOCC1 ZINC000422818371 447758484 /nfs/dbraw/zinc/75/84/84/447758484.db2.gz KCUIYLUSAIJOSH-SPUZQDLCSA-N 1 3 327.513 1.465 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)C[C@@H](C)N)CC2)cc1 ZINC000422818071 447758624 /nfs/dbraw/zinc/75/86/24/447758624.db2.gz FLIFKRXTNICVDN-CABCVRRESA-N 1 3 339.505 1.864 20 0 EDADHO CCCNC(=O)CN1CCC(N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422841755 447767011 /nfs/dbraw/zinc/76/70/11/447767011.db2.gz DKCGKJXNJGJPFJ-AEFFLSMTSA-N 1 3 338.540 1.877 20 0 EDADHO C[N@H+](CCNC(=O)NC[C@@H]1CCCCN1CCO)C1CCCC1 ZINC000458330638 447770582 /nfs/dbraw/zinc/77/05/82/447770582.db2.gz FSENEWQQZLMPQW-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO C[N@@H+](CCNC(=O)NC[C@@H]1CCCCN1CCO)C1CCCC1 ZINC000458330638 447770585 /nfs/dbraw/zinc/77/05/85/447770585.db2.gz FSENEWQQZLMPQW-INIZCTEOSA-N 1 3 326.485 1.007 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)cc1 ZINC000422939591 447776697 /nfs/dbraw/zinc/77/66/97/447776697.db2.gz MEPXKHMLWSCZJW-HOTGVXAUSA-N 1 3 325.478 1.687 20 0 EDADHO [NH3+]CCCOC1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000430555138 447777811 /nfs/dbraw/zinc/77/78/11/447777811.db2.gz RWDRIBGZVYCZGX-UHFFFAOYSA-N 1 3 349.431 1.574 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000488177524 447842781 /nfs/dbraw/zinc/84/27/81/447842781.db2.gz MWZFSTQNYRATKY-LJQANCHMSA-N 1 3 330.476 1.985 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000488177524 447842783 /nfs/dbraw/zinc/84/27/83/447842783.db2.gz MWZFSTQNYRATKY-LJQANCHMSA-N 1 3 330.476 1.985 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1=CCN(C)CC1 ZINC000497108797 447860965 /nfs/dbraw/zinc/86/09/65/447860965.db2.gz QEJHTYGNSUDTGO-HIFRSBDPSA-N 1 3 327.469 1.454 20 0 EDADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(N2CCCC2)nc1 ZINC000569855564 447908141 /nfs/dbraw/zinc/90/81/41/447908141.db2.gz AACXQBJIQJQBHF-UHFFFAOYSA-N 1 3 332.496 1.146 20 0 EDADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)NC(=O)c1ccccc1 ZINC000530641510 447932018 /nfs/dbraw/zinc/93/20/18/447932018.db2.gz ODPXSQQRZYSJJS-MRXNPFEDSA-N 1 3 348.491 1.147 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOC4(CCC4)C3)CC2)CC1 ZINC000553210751 447978100 /nfs/dbraw/zinc/97/81/00/447978100.db2.gz OYLIKOQUHIBFQK-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO CC1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525690541 448012714 /nfs/dbraw/zinc/01/27/14/448012714.db2.gz SPHOGSBPVLQIKW-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO CC1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525690541 448012722 /nfs/dbraw/zinc/01/27/22/448012722.db2.gz SPHOGSBPVLQIKW-HXUWFJFHSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@H](C[NH3+])CN[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289959 448043749 /nfs/dbraw/zinc/04/37/49/448043749.db2.gz QSOACUMONCCAJG-VYDXJSESSA-N 1 3 335.448 1.597 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576409730 448048454 /nfs/dbraw/zinc/04/84/54/448048454.db2.gz AMAJQRYFAPCTME-DLBZAZTESA-N 1 3 336.524 1.203 20 0 EDADHO CCc1nc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000525889942 448050071 /nfs/dbraw/zinc/05/00/71/448050071.db2.gz LOVAMGQURKQQAH-UHFFFAOYSA-N 1 3 327.498 1.971 20 0 EDADHO CC(C)OCC[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000570794831 448065319 /nfs/dbraw/zinc/06/53/19/448065319.db2.gz HYMYHYATDIHPOQ-KSZLIROESA-N 1 3 328.497 1.520 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)CCN1Cc1ccccc1 ZINC000571777535 448205494 /nfs/dbraw/zinc/20/54/94/448205494.db2.gz VTCWLDZVYKZPNB-KBAYOESNSA-N 1 3 346.475 1.327 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000591096710 448261134 /nfs/dbraw/zinc/26/11/34/448261134.db2.gz BICCTVVKJNKCSR-INIZCTEOSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000591096710 448261137 /nfs/dbraw/zinc/26/11/37/448261137.db2.gz BICCTVVKJNKCSR-INIZCTEOSA-N 1 3 344.459 1.274 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@@H+]1C ZINC000532494170 448265126 /nfs/dbraw/zinc/26/51/26/448265126.db2.gz VQHRBKYQSCYKNI-MRAWALMUSA-N 1 3 330.432 1.314 20 0 EDADHO C[C@@H]1C[C@@H](NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@H+]1C ZINC000532494170 448265135 /nfs/dbraw/zinc/26/51/35/448265135.db2.gz VQHRBKYQSCYKNI-MRAWALMUSA-N 1 3 330.432 1.314 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000577551239 448325516 /nfs/dbraw/zinc/32/55/16/448325516.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 1 3 327.517 1.042 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCCN1CCN(C)CC1 ZINC000577551239 448325518 /nfs/dbraw/zinc/32/55/18/448325518.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 1 3 327.517 1.042 20 0 EDADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)NC1C[NH2+]C1 ZINC000577475410 448305798 /nfs/dbraw/zinc/30/57/98/448305798.db2.gz XEKKHOYCXQLZJP-QGZVFWFLSA-N 1 3 330.476 1.730 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000591436002 448362551 /nfs/dbraw/zinc/36/25/51/448362551.db2.gz XEOQRSRMKOLYLE-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000591436002 448362558 /nfs/dbraw/zinc/36/25/58/448362558.db2.gz XEOQRSRMKOLYLE-GOSISDBHSA-N 1 3 344.503 1.657 20 0 EDADHO CN(CCN1CCC(CO)([NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000577854352 448403481 /nfs/dbraw/zinc/40/34/81/448403481.db2.gz KFOYIHHXCDBGTH-UHFFFAOYSA-N 1 3 331.504 1.945 20 0 EDADHO [NH3+]CCCCC(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000516286341 448408704 /nfs/dbraw/zinc/40/87/04/448408704.db2.gz LQPFWLBYUHPUAM-UHFFFAOYSA-N 1 3 346.475 1.257 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000566195554 448411876 /nfs/dbraw/zinc/41/18/76/448411876.db2.gz ZQBZJDTXOGNASR-HUUCEWRRSA-N 1 3 340.512 1.117 20 0 EDADHO C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000582902792 448374768 /nfs/dbraw/zinc/37/47/68/448374768.db2.gz LZBGNOHADFEEMC-HUUCEWRRSA-N 1 3 348.495 1.270 20 0 EDADHO O=C([C@@H]1CCCN1C1CCOCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068195 448453367 /nfs/dbraw/zinc/45/33/67/448453367.db2.gz SGOGTSUQPGXWHT-RYRKJORJSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000572767121 448459772 /nfs/dbraw/zinc/45/97/72/448459772.db2.gz BHYIUVCSSKAHNO-UHFFFAOYSA-N 1 3 342.528 1.861 20 0 EDADHO COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000591727504 448473568 /nfs/dbraw/zinc/47/35/68/448473568.db2.gz DRIMXWPZJKWUSB-YOEHRIQHSA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727504 448473573 /nfs/dbraw/zinc/47/35/73/448473573.db2.gz DRIMXWPZJKWUSB-YOEHRIQHSA-N 1 3 348.443 1.287 20 0 EDADHO COC(=O)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000591727504 448473580 /nfs/dbraw/zinc/47/35/80/448473580.db2.gz DRIMXWPZJKWUSB-YOEHRIQHSA-N 1 3 348.443 1.287 20 0 EDADHO NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759456 448483545 /nfs/dbraw/zinc/48/35/45/448483545.db2.gz RFRCYZRKNCKKDG-BRWVUGGUSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759456 448483547 /nfs/dbraw/zinc/48/35/47/448483547.db2.gz RFRCYZRKNCKKDG-BRWVUGGUSA-N 1 3 344.459 1.462 20 0 EDADHO NC(=O)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759456 448483553 /nfs/dbraw/zinc/48/35/53/448483553.db2.gz RFRCYZRKNCKKDG-BRWVUGGUSA-N 1 3 344.459 1.462 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367410 448500297 /nfs/dbraw/zinc/50/02/97/448500297.db2.gz IUWNXGNPGGFVGD-SOLBZPMBSA-N 1 3 340.508 1.474 20 0 EDADHO [NH3+]C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)CC12CCOCC2 ZINC000566679573 448536716 /nfs/dbraw/zinc/53/67/16/448536716.db2.gz YZNXZEWNOWEWON-MRXNPFEDSA-N 1 3 327.432 1.455 20 0 EDADHO Cc1cc(NC(=O)N2C[C@H](C)NC[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000578422985 448539532 /nfs/dbraw/zinc/53/95/32/448539532.db2.gz SXZJHAGQZPNPLW-KBPBESRZSA-N 1 3 334.468 1.672 20 0 EDADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](O)CN1CCCCC1 ZINC000584719735 448608741 /nfs/dbraw/zinc/60/87/41/448608741.db2.gz JXLLTTQNSVWUCE-HNNXBMFYSA-N 1 3 337.439 1.899 20 0 EDADHO CN1CCN(CCC(C)(C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000578695893 448611084 /nfs/dbraw/zinc/61/10/84/448611084.db2.gz PNYWDIYJMQAOEE-UHFFFAOYSA-N 1 3 346.519 1.894 20 0 EDADHO C[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCN1Cc1ccccc1 ZINC000573583864 448665752 /nfs/dbraw/zinc/66/57/52/448665752.db2.gz PYNMDMMVQVEFJA-FAJBIJEISA-N 1 3 328.460 1.558 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000573746955 448703766 /nfs/dbraw/zinc/70/37/66/448703766.db2.gz XRIRQMGRCAZQTI-OAHLLOKOSA-N 1 3 347.463 1.264 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000573746955 448703769 /nfs/dbraw/zinc/70/37/69/448703769.db2.gz XRIRQMGRCAZQTI-OAHLLOKOSA-N 1 3 347.463 1.264 20 0 EDADHO C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000518756589 448705162 /nfs/dbraw/zinc/70/51/62/448705162.db2.gz RZIYRSDPTWQKBL-MQIPJXDCSA-N 1 3 328.372 1.585 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319731 448820830 /nfs/dbraw/zinc/82/08/30/448820830.db2.gz CLZCDLCYGSGBMQ-NVXWUHKLSA-N 1 3 346.475 1.314 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C2)CC1 ZINC000579589425 448828331 /nfs/dbraw/zinc/82/83/31/448828331.db2.gz DEHJTKKFJGUYGS-KSZLIROESA-N 1 3 336.524 1.521 20 0 EDADHO COc1ccc2c(c1)CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000574422005 448872860 /nfs/dbraw/zinc/87/28/60/448872860.db2.gz CIOIABUDAQFPED-OAHLLOKOSA-N 1 3 331.460 1.641 20 0 EDADHO COc1ccc2c(c1)CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C2 ZINC000574422005 448872864 /nfs/dbraw/zinc/87/28/64/448872864.db2.gz CIOIABUDAQFPED-OAHLLOKOSA-N 1 3 331.460 1.641 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000579947408 448917866 /nfs/dbraw/zinc/91/78/66/448917866.db2.gz KFXDVRJSSSPJRB-UHFFFAOYSA-N 1 3 330.476 1.050 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640599 448922768 /nfs/dbraw/zinc/92/27/68/448922768.db2.gz LRFTYXQJRSKHRD-JZXOWHBKSA-N 1 3 337.508 1.866 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520368278 448889583 /nfs/dbraw/zinc/88/95/83/448889583.db2.gz JCQAMOUSRHUNPN-MSOLQXFVSA-N 1 3 330.476 1.715 20 0 EDADHO CC(C)[C@H](C(=O)Nc1ccc(CN2CCN(C)CC2)cc1)[NH+](C)C ZINC000592840146 449012774 /nfs/dbraw/zinc/01/27/74/449012774.db2.gz KUGOAKCINLJSOE-GOSISDBHSA-N 1 3 332.492 1.959 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)OC)CC2)CC1 ZINC000575328541 449078008 /nfs/dbraw/zinc/07/80/08/449078008.db2.gz SPYRKHDGMHMKFK-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO COC(=O)[C@H]1C[C@@H](N(C)C/C=C/C[N@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851067 449207647 /nfs/dbraw/zinc/20/76/47/449207647.db2.gz UQSPQLKYEIAWLS-ZFBIZUAJSA-N 1 3 338.448 1.309 20 0 EDADHO COC(=O)[C@H]1C[C@@H](N(C)C/C=C/C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851067 449207648 /nfs/dbraw/zinc/20/76/48/449207648.db2.gz UQSPQLKYEIAWLS-ZFBIZUAJSA-N 1 3 338.448 1.309 20 0 EDADHO CC[NH+](CC)CCSCC(=O)N1CCOC[C@@H]1[C@@H]1CCCN1C ZINC000590563934 449191940 /nfs/dbraw/zinc/19/19/40/449191940.db2.gz AWTUTCJBRAXJHG-JKSUJKDBSA-N 1 3 343.537 1.383 20 0 EDADHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000604643701 449268562 /nfs/dbraw/zinc/26/85/62/449268562.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 1 3 340.512 1.517 20 0 EDADHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(C)C2)[C@@H](C)C1 ZINC000604643701 449268564 /nfs/dbraw/zinc/26/85/64/449268564.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 1 3 340.512 1.517 20 0 EDADHO CC[C@@H](C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427046 449381931 /nfs/dbraw/zinc/38/19/31/449381931.db2.gz NZNZNOPNIHIEGR-HOTGVXAUSA-N 1 3 338.496 1.048 20 0 EDADHO CCOC(=O)[C@@H]1CC[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1C ZINC000600683169 449490891 /nfs/dbraw/zinc/49/08/91/449490891.db2.gz SIHCVGLOMSEHLI-OCVGTWLNSA-N 1 3 335.452 1.270 20 0 EDADHO CN(C)[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469698 449615539 /nfs/dbraw/zinc/61/55/39/449615539.db2.gz WCYPLJLLKZTLAR-CMJOXMDJSA-N 1 3 343.537 1.114 20 0 EDADHO COC(=O)CC[NH+]1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000602762771 449789365 /nfs/dbraw/zinc/78/93/65/449789365.db2.gz VWBFOUGKBKFVTH-UHFFFAOYSA-N 1 3 342.403 1.298 20 0 EDADHO COC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000608446286 449843143 /nfs/dbraw/zinc/84/31/43/449843143.db2.gz XEYKVZKHRSBOEX-QGZVFWFLSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000608648471 449896159 /nfs/dbraw/zinc/89/61/59/449896159.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 1 3 330.476 1.997 20 0 EDADHO CN1CCC[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000608648471 449896163 /nfs/dbraw/zinc/89/61/63/449896163.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@]1(NC(=O)NCC2(N3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000612870917 449920151 /nfs/dbraw/zinc/92/01/51/449920151.db2.gz JODNYQZLCFVCNK-OAHLLOKOSA-N 1 3 326.510 1.399 20 0 EDADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964571 449960293 /nfs/dbraw/zinc/96/02/93/449960293.db2.gz RMOGQXJXIBCQHM-DLBZAZTESA-N 1 3 330.476 1.601 20 0 EDADHO C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)N1CCCCCC1 ZINC000620970302 450567076 /nfs/dbraw/zinc/56/70/76/450567076.db2.gz OHSZGTJNSUSFSQ-DLBZAZTESA-N 1 3 325.497 1.820 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1CN(C)C ZINC000633011937 450608758 /nfs/dbraw/zinc/60/87/58/450608758.db2.gz FIJHHAQZYATCHR-MRXNPFEDSA-N 1 3 346.475 1.725 20 0 EDADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000633039384 450636378 /nfs/dbraw/zinc/63/63/78/450636378.db2.gz SWLGEOOOIPFENN-HOCLYGCPSA-N 1 3 344.459 1.559 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627332495 450654535 /nfs/dbraw/zinc/65/45/35/450654535.db2.gz BHTOVMXJJBFLQS-ARFHVFGLSA-N 1 3 338.496 1.014 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1 ZINC000633073427 450659284 /nfs/dbraw/zinc/65/92/84/450659284.db2.gz VRUGHRSIUSPKJH-QGZVFWFLSA-N 1 3 347.438 1.617 20 0 EDADHO CN1CCCC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120836 450715410 /nfs/dbraw/zinc/71/54/10/450715410.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 1 3 338.540 1.105 20 0 EDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525285 450726517 /nfs/dbraw/zinc/72/65/17/450726517.db2.gz XIHICKNEPMTERR-APHBMKBZSA-N 1 3 335.415 1.437 20 0 EDADHO C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000631748922 450748614 /nfs/dbraw/zinc/74/86/14/450748614.db2.gz LSLMFPYTOSYXSV-HOTGVXAUSA-N 1 3 331.526 1.512 20 0 EDADHO O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000621668401 450824120 /nfs/dbraw/zinc/82/41/20/450824120.db2.gz DOBUXUUJAXJNCH-VQIMIIECSA-N 1 3 345.487 1.649 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000635312716 450836554 /nfs/dbraw/zinc/83/65/54/450836554.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000635312716 450836560 /nfs/dbraw/zinc/83/65/60/450836560.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 1 3 344.503 1.392 20 0 EDADHO CN(CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000629975448 450929050 /nfs/dbraw/zinc/92/90/50/450929050.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 1 3 334.508 1.240 20 0 EDADHO CN(CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCC1 ZINC000629975448 450929055 /nfs/dbraw/zinc/92/90/55/450929055.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 1 3 334.508 1.240 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC000631979175 450937576 /nfs/dbraw/zinc/93/75/76/450937576.db2.gz DFJRLOPBRKCIBA-UHFFFAOYSA-N 1 3 325.478 1.688 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000626918126 451003060 /nfs/dbraw/zinc/00/30/60/451003060.db2.gz OTGPJAYKOWRQSR-UHFFFAOYSA-N 1 3 334.464 1.268 20 0 EDADHO C[C@H]1CC[C@@H](NC(=O)NCc2cccc(OCCN(C)C)c2)C[NH2+]1 ZINC000626931642 451014331 /nfs/dbraw/zinc/01/43/31/451014331.db2.gz JZUPWIYIEHRFSW-GOEBONIOSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCCCN2CCc3ccccc3C2)C[NH2+]1 ZINC000626935066 451017884 /nfs/dbraw/zinc/01/78/84/451017884.db2.gz WMWJCQOQVDNENZ-YJBOKZPZSA-N 1 3 330.476 1.875 20 0 EDADHO CC(C)[N@H+](C)CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635559859 451057369 /nfs/dbraw/zinc/05/73/69/451057369.db2.gz UHVKGXKLDYKHAB-UHFFFAOYSA-N 1 3 347.463 1.374 20 0 EDADHO CC(C)[N@@H+](C)CCNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000635559859 451057376 /nfs/dbraw/zinc/05/73/76/451057376.db2.gz UHVKGXKLDYKHAB-UHFFFAOYSA-N 1 3 347.463 1.374 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993702 451060184 /nfs/dbraw/zinc/06/01/84/451060184.db2.gz KYMAZTCFMNAZLV-SJLPKXTDSA-N 1 3 348.491 1.514 20 0 EDADHO CCn1ncc(Cl)c1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000622137575 451063242 /nfs/dbraw/zinc/06/32/42/451063242.db2.gz IRBIBEARWIKNIS-LBPRGKRZSA-N 1 3 329.876 1.558 20 0 EDADHO CCn1ncc(Cl)c1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000622137575 451063248 /nfs/dbraw/zinc/06/32/48/451063248.db2.gz IRBIBEARWIKNIS-LBPRGKRZSA-N 1 3 329.876 1.558 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CN1Cc1ccccc1 ZINC000626998486 451064001 /nfs/dbraw/zinc/06/40/01/451064001.db2.gz OATUFMIWEXIENJ-NVXWUHKLSA-N 1 3 334.464 1.266 20 0 EDADHO C[C@H]1[C@@H](NC(=O)NCCOCCC[NH3+])CCN1Cc1ccccc1 ZINC000627038725 451095568 /nfs/dbraw/zinc/09/55/68/451095568.db2.gz LZHNOGUJBAIELE-RDJZCZTQSA-N 1 3 334.464 1.314 20 0 EDADHO C[C@@H](NS(=O)(=O)CCCN(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197337 451107547 /nfs/dbraw/zinc/10/75/47/451107547.db2.gz PCMHZIVWEZMIAK-HUUCEWRRSA-N 1 3 331.526 1.511 20 0 EDADHO C[C@@H](NS(=O)(=O)CCCN(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000632197337 451107551 /nfs/dbraw/zinc/10/75/51/451107551.db2.gz PCMHZIVWEZMIAK-HUUCEWRRSA-N 1 3 331.526 1.511 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133559 451143019 /nfs/dbraw/zinc/14/30/19/451143019.db2.gz JUOSSPXCZJJTHK-MRXNPFEDSA-N 1 3 331.464 1.439 20 0 EDADHO CC(C)(C)[C@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CCN(Cc2ccccc2)C1 ZINC000638096208 451260653 /nfs/dbraw/zinc/26/06/53/451260653.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 1 3 332.488 1.962 20 0 EDADHO CC(C)(C)[C@]1(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCN(Cc2ccccc2)C1 ZINC000638096208 451260655 /nfs/dbraw/zinc/26/06/55/451260655.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 1 3 332.488 1.962 20 0 EDADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000638120766 451289763 /nfs/dbraw/zinc/28/97/63/451289763.db2.gz GEJUFQLFNQZTCO-YOEHRIQHSA-N 1 3 346.475 1.789 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000636596286 451335894 /nfs/dbraw/zinc/33/58/94/451335894.db2.gz LPPUDXHZJOCBQH-DLBZAZTESA-N 1 3 346.479 1.898 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cn2)CC1 ZINC000636596286 451335896 /nfs/dbraw/zinc/33/58/96/451335896.db2.gz LPPUDXHZJOCBQH-DLBZAZTESA-N 1 3 346.479 1.898 20 0 EDADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)C1 ZINC000638126297 451296972 /nfs/dbraw/zinc/29/69/72/451296972.db2.gz SXNLAHIZGXUFPB-MOPGFXCFSA-N 1 3 346.519 1.636 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cncc(N(C)C)c1 ZINC000640432588 451311478 /nfs/dbraw/zinc/31/14/78/451311478.db2.gz YFLRNHBOJQNBNW-AWEZNQCLSA-N 1 3 336.484 1.541 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cncc(N(C)C)c1 ZINC000640432588 451311485 /nfs/dbraw/zinc/31/14/85/451311485.db2.gz YFLRNHBOJQNBNW-AWEZNQCLSA-N 1 3 336.484 1.541 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141809 451316413 /nfs/dbraw/zinc/31/64/13/451316413.db2.gz IGHHKNHQPDQAJO-RBUKOAKNSA-N 1 3 344.503 1.436 20 0 EDADHO CO[C@@]1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCOC1 ZINC000638152557 451324097 /nfs/dbraw/zinc/32/40/97/451324097.db2.gz MAJAOQUJBZRAOB-GOSISDBHSA-N 1 3 325.497 1.282 20 0 EDADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000638201629 451352671 /nfs/dbraw/zinc/35/26/71/451352671.db2.gz MVUAMEBSLGHKSN-RBUKOAKNSA-N 1 3 344.503 1.090 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630750006 451383224 /nfs/dbraw/zinc/38/32/24/451383224.db2.gz MGVBBKPQZLLGIQ-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cnn(CCN(C)C)c2)C1 ZINC000630750006 451383227 /nfs/dbraw/zinc/38/32/27/451383227.db2.gz MGVBBKPQZLLGIQ-CALCHBBNSA-N 1 3 349.523 1.933 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2OCC[C@@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000638307439 451420997 /nfs/dbraw/zinc/42/09/97/451420997.db2.gz BJKRVYHQWCCUSP-XOYOTBSWSA-N 1 3 331.460 1.520 20 0 EDADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2OCC[C@@H]2N)C[N@H+]1Cc1ccccc1 ZINC000638307439 451421002 /nfs/dbraw/zinc/42/10/02/451421002.db2.gz BJKRVYHQWCCUSP-XOYOTBSWSA-N 1 3 331.460 1.520 20 0 EDADHO COCC(=O)Nc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638329463 451437137 /nfs/dbraw/zinc/43/71/37/451437137.db2.gz SHFYSHMGXIKROF-UHFFFAOYSA-N 1 3 349.475 1.596 20 0 EDADHO CCN1CCN(CCCC[NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638359342 451459122 /nfs/dbraw/zinc/45/91/22/451459122.db2.gz KETXKWMYYWWOTI-GOSISDBHSA-N 1 3 327.513 1.435 20 0 EDADHO CCN1CCC(NC(=O)CN2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000634689648 451465061 /nfs/dbraw/zinc/46/50/61/451465061.db2.gz UGUJEADMOPSEQW-OAHLLOKOSA-N 1 3 330.476 1.540 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cn1 ZINC000638373405 451470494 /nfs/dbraw/zinc/47/04/94/451470494.db2.gz QQYGIFIHJHWCBL-KRWDZBQOSA-N 1 3 327.432 1.143 20 0 EDADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)CC1(O)CCOCC1 ZINC000634699520 451472193 /nfs/dbraw/zinc/47/21/93/451472193.db2.gz KRIPFXNJZWKVNP-LJQANCHMSA-N 1 3 348.487 1.665 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638383346 451476570 /nfs/dbraw/zinc/47/65/70/451476570.db2.gz GWVPMCMDUSEMMJ-SCTDSRPQSA-N 1 3 330.476 1.033 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386583 451479830 /nfs/dbraw/zinc/47/98/30/451479830.db2.gz NPLQHVAPLGKITD-ARFHVFGLSA-N 1 3 325.497 1.709 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000636073100 451488508 /nfs/dbraw/zinc/48/85/08/451488508.db2.gz IGODEPWFMCUPSY-ILZDJORESA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000636073100 451488514 /nfs/dbraw/zinc/48/85/14/451488514.db2.gz IGODEPWFMCUPSY-ILZDJORESA-N 1 3 345.487 1.591 20 0 EDADHO OC1CCN(CCC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634718677 451498243 /nfs/dbraw/zinc/49/82/43/451498243.db2.gz HQJMXTPECIIAEB-FQEVSTJZSA-N 1 3 347.503 1.060 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540549 451569263 /nfs/dbraw/zinc/56/92/63/451569263.db2.gz OTXRHOODOOCKFB-UHFFFAOYSA-N 1 3 331.416 1.732 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000632947629 451664790 /nfs/dbraw/zinc/66/47/90/451664790.db2.gz FLCVYIUJCZNPHJ-UHFFFAOYSA-N 1 3 342.447 1.412 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000634998579 451641082 /nfs/dbraw/zinc/64/10/82/451641082.db2.gz HRQVLUGSSCLNQZ-KRWDZBQOSA-N 1 3 336.524 1.524 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636987429 451663561 /nfs/dbraw/zinc/66/35/61/451663561.db2.gz ALOWLCZENDMSCC-AWEZNQCLSA-N 1 3 333.436 1.064 20 0 EDADHO NCc1ccc2c(c1)N(C(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)CCO2 ZINC000638807829 451697385 /nfs/dbraw/zinc/69/73/85/451697385.db2.gz POSCTOHZHGOWLY-HNNXBMFYSA-N 1 3 341.415 1.306 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845455 451708919 /nfs/dbraw/zinc/70/89/19/451708919.db2.gz QEAAVDLVEGOULR-HLIPFELVSA-N 1 3 343.471 1.481 20 0 EDADHO CN(C)CCn1cc(C(=O)NCc2cccc3c2CC[NH2+]C3)cn1 ZINC000638847300 451709291 /nfs/dbraw/zinc/70/92/91/451709291.db2.gz OBFVSANFVSYTEQ-UHFFFAOYSA-N 1 3 327.432 1.020 20 0 EDADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850038 451710744 /nfs/dbraw/zinc/71/07/44/451710744.db2.gz AYMDKBJGVJLHBP-MOPGFXCFSA-N 1 3 345.487 1.926 20 0 EDADHO O=C(C[C@H]1CNCCO1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850038 451710749 /nfs/dbraw/zinc/71/07/49/451710749.db2.gz AYMDKBJGVJLHBP-MOPGFXCFSA-N 1 3 345.487 1.926 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](CN)C(F)(F)F)CC1 ZINC000632953826 451667475 /nfs/dbraw/zinc/66/74/75/451667475.db2.gz BLSFNVVEKQDTRJ-GFCCVEGCSA-N 1 3 336.402 1.926 20 0 EDADHO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000638728914 451668549 /nfs/dbraw/zinc/66/85/49/451668549.db2.gz NHSYAMSUMWLIPW-SFHVURJKSA-N 1 3 345.487 1.660 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638728914 451668554 /nfs/dbraw/zinc/66/85/54/451668554.db2.gz NHSYAMSUMWLIPW-SFHVURJKSA-N 1 3 345.487 1.660 20 0 EDADHO CN1CCC(n2cc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000632961889 451670820 /nfs/dbraw/zinc/67/08/20/451670820.db2.gz VPSWUMUANRVVIT-MRXNPFEDSA-N 1 3 332.452 1.508 20 0 EDADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCN1CC[C@H](O)C1)[NH+](C)C ZINC000637138555 451739050 /nfs/dbraw/zinc/73/90/50/451739050.db2.gz QLGAKEUYQLRYTD-RYRKJORJSA-N 1 3 348.491 1.352 20 0 EDADHO CO[C@]1(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761909 /nfs/dbraw/zinc/76/19/09/451761909.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 1 3 334.460 1.361 20 0 EDADHO CO[C@]1(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074873 451761910 /nfs/dbraw/zinc/76/19/10/451761910.db2.gz DBJZFLLPIDNNCY-MOPGFXCFSA-N 1 3 334.460 1.361 20 0 EDADHO O=C(NC[C@H]1CNCCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642015731 451806483 /nfs/dbraw/zinc/80/64/83/451806483.db2.gz XIDBVYZMZQTLIZ-QGZVFWFLSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000642178941 451831018 /nfs/dbraw/zinc/83/10/18/451831018.db2.gz UBHWPYZLVIIXFD-CABCVRRESA-N 1 3 346.475 1.230 20 0 EDADHO CN1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3ccccc3)C2)CC1 ZINC000644561982 451863088 /nfs/dbraw/zinc/86/30/88/451863088.db2.gz MQSQMDHQFNUWHV-QGZVFWFLSA-N 1 3 330.476 1.773 20 0 EDADHO CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000649134121 451867321 /nfs/dbraw/zinc/86/73/21/451867321.db2.gz NBGGDKFCCQIHJF-QGZVFWFLSA-N 1 3 337.508 1.820 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccsc1 ZINC000649292540 451967253 /nfs/dbraw/zinc/96/72/53/451967253.db2.gz OOGJNFSYAZEAJY-AWEZNQCLSA-N 1 3 325.478 1.626 20 0 EDADHO C[NH+](C)CCOc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000651607665 451955800 /nfs/dbraw/zinc/95/58/00/451955800.db2.gz KFTOHDSYGCLMHV-AEFFLSMTSA-N 1 3 331.460 1.870 20 0 EDADHO COC[C@@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000649288003 451962521 /nfs/dbraw/zinc/96/25/21/451962521.db2.gz YRZJPHWLYMWCQA-HXUWFJFHSA-N 1 3 345.487 1.578 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)COC1(C)CNC1)Cc1ccccc1 ZINC000649292589 451969354 /nfs/dbraw/zinc/96/93/54/451969354.db2.gz RICYWQAESFITPM-QGZVFWFLSA-N 1 3 333.476 1.434 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649303003 451979737 /nfs/dbraw/zinc/97/97/37/451979737.db2.gz NIPNFHBVSSWCMC-HUUCEWRRSA-N 1 3 325.403 1.520 20 0 EDADHO C[NH+](C)CCc1ccc(NC(=O)CN2CCCC[C@@H](N)C2=O)cc1 ZINC000649313283 451991224 /nfs/dbraw/zinc/99/12/24/451991224.db2.gz XSGUWAQYEFYNJG-MRXNPFEDSA-N 1 3 332.448 1.069 20 0 EDADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CNCCC1(F)F ZINC000649333727 452014637 /nfs/dbraw/zinc/01/46/37/452014637.db2.gz SDWXTVVZWDODLW-CQSZACIVSA-N 1 3 345.434 1.383 20 0 EDADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000647056315 452033639 /nfs/dbraw/zinc/03/36/39/452033639.db2.gz ZVHUKGNVJKAEJZ-SJORKVTESA-N 1 3 328.460 1.552 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044369 /nfs/dbraw/zinc/04/43/69/452044369.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 1 3 342.487 1.915 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044378 /nfs/dbraw/zinc/04/43/78/452044378.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 1 3 342.487 1.915 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417922 452079398 /nfs/dbraw/zinc/07/93/98/452079398.db2.gz OKPKSSZBEHSIJB-BZSNNMDCSA-N 1 3 336.524 1.251 20 0 EDADHO CC(C)N(Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](O)CO ZINC000643296425 452122226 /nfs/dbraw/zinc/12/22/26/452122226.db2.gz VOYZLZXBGASGMV-SFHVURJKSA-N 1 3 336.476 1.725 20 0 EDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455481 452232589 /nfs/dbraw/zinc/23/25/89/452232589.db2.gz JYGUAGDYDPFDPV-QYZOEREBSA-N 1 3 338.540 1.293 20 0 EDADHO O[C@H](C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)CN1CCCC1 ZINC000647517569 452251236 /nfs/dbraw/zinc/25/12/36/452251236.db2.gz XJTPBTZTJKJXLM-VQTJNVASSA-N 1 3 328.456 1.790 20 0 EDADHO Cc1nc(CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cs1 ZINC000663556993 452266427 /nfs/dbraw/zinc/26/64/27/452266427.db2.gz MXYFJHMXHPVPMP-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO Cc1nc(CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cs1 ZINC000663556993 452266439 /nfs/dbraw/zinc/26/64/39/452266439.db2.gz MXYFJHMXHPVPMP-ZDUSSCGKSA-N 1 3 341.525 1.565 20 0 EDADHO C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000641808401 452287494 /nfs/dbraw/zinc/28/74/94/452287494.db2.gz NCTRNVHKTMPMFQ-UKBAYJJMSA-N 1 3 346.519 1.853 20 0 EDADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1OCCN(C)C ZINC000659444747 452293000 /nfs/dbraw/zinc/29/30/00/452293000.db2.gz MZAYTHJZFWHDJC-MRXNPFEDSA-N 1 3 336.480 1.800 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450920 452299199 /nfs/dbraw/zinc/29/91/99/452299199.db2.gz IIPNEKPNJOTDAN-KZNAEPCWSA-N 1 3 348.466 1.632 20 0 EDADHO N[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450920 452299210 /nfs/dbraw/zinc/29/92/10/452299210.db2.gz IIPNEKPNJOTDAN-KZNAEPCWSA-N 1 3 348.466 1.632 20 0 EDADHO CCO[C@@H]1CN(C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652137618 452332000 /nfs/dbraw/zinc/33/20/00/452332000.db2.gz RDDXOGJARFSLAT-IAGOWNOFSA-N 1 3 334.464 1.124 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCCCC1 ZINC000665759728 452332952 /nfs/dbraw/zinc/33/29/52/452332952.db2.gz NLXUFTGEPPBRNJ-INIZCTEOSA-N 1 3 342.528 1.500 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)CCCCC1 ZINC000665759728 452332958 /nfs/dbraw/zinc/33/29/58/452332958.db2.gz NLXUFTGEPPBRNJ-INIZCTEOSA-N 1 3 342.528 1.500 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000665763695 452350138 /nfs/dbraw/zinc/35/01/38/452350138.db2.gz JGOGSNLMZJIFIE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000665763695 452350142 /nfs/dbraw/zinc/35/01/42/452350142.db2.gz JGOGSNLMZJIFIE-HOTGVXAUSA-N 1 3 340.512 1.611 20 0 EDADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000659493075 452355359 /nfs/dbraw/zinc/35/53/59/452355359.db2.gz OWCYHUVADBEGKM-RHSMWYFYSA-N 1 3 336.480 1.984 20 0 EDADHO C[C@H](CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)N(C)C ZINC000638081268 452397842 /nfs/dbraw/zinc/39/78/42/452397842.db2.gz WHDRQXBBMCOVAU-MRXNPFEDSA-N 1 3 332.492 1.436 20 0 EDADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(CN3CC[C@@H](O)C3)cc2)C1 ZINC000659551366 452407069 /nfs/dbraw/zinc/40/70/69/452407069.db2.gz BBXMJUVUDKMKPV-FGTMMUONSA-N 1 3 346.475 1.180 20 0 EDADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)C1 ZINC000659551367 452407190 /nfs/dbraw/zinc/40/71/90/452407190.db2.gz BBXMJUVUDKMKPV-KURKYZTESA-N 1 3 346.475 1.180 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000652218849 452412268 /nfs/dbraw/zinc/41/22/68/452412268.db2.gz DPDJIDXWLOABMH-SFHVURJKSA-N 1 3 346.475 1.283 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC000659567446 452423447 /nfs/dbraw/zinc/42/34/47/452423447.db2.gz UXNIULMIEWLRKQ-QAPCUYQASA-N 1 3 345.491 1.672 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427138 /nfs/dbraw/zinc/42/71/38/452427138.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427143 /nfs/dbraw/zinc/42/71/43/452427143.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 1 3 338.496 1.101 20 0 EDADHO CCC(C)(C)N1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000654443893 452506270 /nfs/dbraw/zinc/50/62/70/452506270.db2.gz DHTIVQKVUYRYHH-UHFFFAOYSA-N 1 3 340.512 1.613 20 0 EDADHO C([C@@H]1CCOC1)N1CCC([NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655725944 452538963 /nfs/dbraw/zinc/53/89/63/452538963.db2.gz NZRYTVBKGLOFNE-QFBILLFUSA-N 1 3 337.508 1.330 20 0 EDADHO COc1ccc(CNC(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cc1OC ZINC000652359340 452539147 /nfs/dbraw/zinc/53/91/47/452539147.db2.gz GZNGHLWLIKYWEU-CQSZACIVSA-N 1 3 349.475 1.769 20 0 EDADHO O=c1[nH]c2ccccc2n1CCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730337 452541754 /nfs/dbraw/zinc/54/17/54/452541754.db2.gz IMSLMOUJDJRFGZ-OAHLLOKOSA-N 1 3 330.432 1.585 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000647960760 452705844 /nfs/dbraw/zinc/70/58/44/452705844.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 1 3 327.513 1.704 20 0 EDADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)CN(C)C(C)C)C1 ZINC000647960760 452705854 /nfs/dbraw/zinc/70/58/54/452705854.db2.gz HITIOWHUCSBSTM-ZACQAIPSSA-N 1 3 327.513 1.704 20 0 EDADHO O=S1(=O)CCCN1CCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000666259090 452724254 /nfs/dbraw/zinc/72/42/54/452724254.db2.gz WMWNXDVEAYIPQB-UHFFFAOYSA-N 1 3 343.537 1.799 20 0 EDADHO O=S1(=O)CCCN1CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000666259090 452724264 /nfs/dbraw/zinc/72/42/64/452724264.db2.gz WMWNXDVEAYIPQB-UHFFFAOYSA-N 1 3 343.537 1.799 20 0 EDADHO C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000645959223 452939085 /nfs/dbraw/zinc/93/90/85/452939085.db2.gz STBVAHRGGZUNJR-NXHRZFHOSA-N 1 3 333.476 1.532 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000645966681 452950776 /nfs/dbraw/zinc/95/07/76/452950776.db2.gz KRAZHCCFLBJVJR-CRAIPNDOSA-N 1 3 331.460 1.775 20 0 EDADHO O[C@H]1CC[N@H+](Cc2cccc(NC3CCN([C@H]4CCOC4)CC3)c2)C1 ZINC000656260482 452994828 /nfs/dbraw/zinc/99/48/28/452994828.db2.gz PZRDOKQBLYYILB-PMACEKPBSA-N 1 3 345.487 1.918 20 0 EDADHO O[C@H]1CC[N@@H+](Cc2cccc(NC3CCN([C@H]4CCOC4)CC3)c2)C1 ZINC000656260482 452994835 /nfs/dbraw/zinc/99/48/35/452994835.db2.gz PZRDOKQBLYYILB-PMACEKPBSA-N 1 3 345.487 1.918 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597046 452998886 /nfs/dbraw/zinc/99/88/86/452998886.db2.gz DFWAGRAZWLWOHV-AWEZNQCLSA-N 1 3 349.479 1.548 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cnc2c(c1)COCC2 ZINC000666597046 452998897 /nfs/dbraw/zinc/99/88/97/452998897.db2.gz DFWAGRAZWLWOHV-AWEZNQCLSA-N 1 3 349.479 1.548 20 0 EDADHO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(CN)c2)([NH+](C)C)C1 ZINC000666690752 453067300 /nfs/dbraw/zinc/06/73/00/453067300.db2.gz FYWJNWLVTRVYMQ-AUUYWEPGSA-N 1 3 346.475 1.711 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165788 453096344 /nfs/dbraw/zinc/09/63/44/453096344.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC[N@H+](C2CCC2)C1 ZINC000644165788 453096353 /nfs/dbraw/zinc/09/63/53/453096353.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 1 3 334.508 1.987 20 0 EDADHO COc1ccccc1[C@H](N)CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662394828 453105970 /nfs/dbraw/zinc/10/59/70/453105970.db2.gz OMMVWIZPTVOIRZ-QGZVFWFLSA-N 1 3 325.412 1.771 20 0 EDADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc(CN)c1)C(C)(C)C ZINC000666801382 453158350 /nfs/dbraw/zinc/15/83/50/453158350.db2.gz JURSRYNQUXMADF-OAHLLOKOSA-N 1 3 334.464 1.566 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000664537546 453177115 /nfs/dbraw/zinc/17/71/15/453177115.db2.gz OGUCXQFVBAKHRO-INIZCTEOSA-N 1 3 339.528 1.184 20 0 EDADHO CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000664583653 453219549 /nfs/dbraw/zinc/21/95/49/453219549.db2.gz GCLVADHPVKZORM-ARFHVFGLSA-N 1 3 328.501 1.373 20 0 EDADHO CO[C@@H]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000664583653 453219553 /nfs/dbraw/zinc/21/95/53/453219553.db2.gz GCLVADHPVKZORM-ARFHVFGLSA-N 1 3 328.501 1.373 20 0 EDADHO CN1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)C1 ZINC000646230454 453242112 /nfs/dbraw/zinc/24/21/12/453242112.db2.gz WQSOYRTWVHTQPK-GOSISDBHSA-N 1 3 345.491 1.067 20 0 EDADHO CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CCN(C)C1 ZINC000666927569 453255073 /nfs/dbraw/zinc/25/50/73/453255073.db2.gz SKOGQNCWKUDNIM-HNNXBMFYSA-N 1 3 334.468 1.708 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCN1CCCC[C@@H]1C ZINC000656540528 453264806 /nfs/dbraw/zinc/26/48/06/453264806.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 1 3 341.544 1.432 20 0 EDADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000662552721 453282980 /nfs/dbraw/zinc/28/29/80/453282980.db2.gz RZZFXXFKBXCNPJ-BEFAXECRSA-N 1 3 341.455 1.989 20 0 EDADHO C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000653109944 453295835 /nfs/dbraw/zinc/29/58/35/453295835.db2.gz SEUQHGKOVOIKMB-KRWDZBQOSA-N 1 3 332.492 1.219 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000664676317 453309772 /nfs/dbraw/zinc/30/97/72/453309772.db2.gz ZMQCXBRPIOGDIH-USXIJHARSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000664676317 453309778 /nfs/dbraw/zinc/30/97/78/453309778.db2.gz ZMQCXBRPIOGDIH-USXIJHARSA-N 1 3 340.512 1.515 20 0 EDADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120183 453310704 /nfs/dbraw/zinc/31/07/04/453310704.db2.gz IVEBWRAGJOFFGD-IAGOWNOFSA-N 1 3 335.492 1.668 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594826 453320835 /nfs/dbraw/zinc/32/08/35/453320835.db2.gz SAVDFNXACWCVPT-GPMSIDNRSA-N 1 3 337.508 1.757 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000667068614 453384305 /nfs/dbraw/zinc/38/43/05/453384305.db2.gz PMCBKMABQNVNEB-HNNXBMFYSA-N 1 3 332.448 1.335 20 0 EDADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccsc1 ZINC000662680330 453400125 /nfs/dbraw/zinc/40/01/25/453400125.db2.gz VFTDIODMGWUJSK-ZNMIVQPWSA-N 1 3 325.478 1.611 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C3CCC3)CC2)CC1 ZINC000660575947 453414697 /nfs/dbraw/zinc/41/46/97/453414697.db2.gz YOUGBPPEAVKOLZ-QGZVFWFLSA-N 1 3 338.496 1.005 20 0 EDADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419091 /nfs/dbraw/zinc/41/90/91/453419091.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 1 3 343.471 1.176 20 0 EDADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419095 /nfs/dbraw/zinc/41/90/95/453419095.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 1 3 343.471 1.176 20 0 EDADHO C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147328 453438724 /nfs/dbraw/zinc/43/87/24/453438724.db2.gz ZOPCNPRBZMATNG-CJNGLKHVSA-N 1 3 330.432 1.169 20 0 EDADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)N(CC)CC ZINC000653260793 453443591 /nfs/dbraw/zinc/44/35/91/453443591.db2.gz LGMBAEGIYQZWAR-HZMVEIRTSA-N 1 3 325.497 1.994 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790384 453447703 /nfs/dbraw/zinc/44/77/03/453447703.db2.gz ZMWXYQCGZOHDPY-BMGDILEWSA-N 1 3 348.466 1.058 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660662079 453498151 /nfs/dbraw/zinc/49/81/51/453498151.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 1 3 340.471 1.963 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660662079 453498156 /nfs/dbraw/zinc/49/81/56/453498156.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 1 3 340.471 1.963 20 0 EDADHO CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662760866 453498368 /nfs/dbraw/zinc/49/83/68/453498368.db2.gz ZXOPJFJOCALMAU-WKILWMFISA-N 1 3 346.475 1.013 20 0 EDADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662789099 453522786 /nfs/dbraw/zinc/52/27/86/453522786.db2.gz SEISKWZNQABPSV-GDBMZVCRSA-N 1 3 348.495 1.395 20 0 EDADHO CC(C)(C)N1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851604 453571976 /nfs/dbraw/zinc/57/19/76/453571976.db2.gz BXQZKCDBFBJXIY-KBPBESRZSA-N 1 3 334.468 1.195 20 0 EDADHO CC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659028850 453588422 /nfs/dbraw/zinc/58/84/22/453588422.db2.gz QOXKBGODTAFQRZ-QGZVFWFLSA-N 1 3 332.448 1.953 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659035051 453591130 /nfs/dbraw/zinc/59/11/30/453591130.db2.gz TXFMEADDQMPGLH-KRWDZBQOSA-N 1 3 332.448 1.907 20 0 EDADHO CN(C(=O)c1cc(C(C)(C)N)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901663 453596296 /nfs/dbraw/zinc/59/62/96/453596296.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 1 3 349.479 1.109 20 0 EDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659092710 453626455 /nfs/dbraw/zinc/62/64/55/453626455.db2.gz YMNXOXUWWILEKF-ZDUSSCGKSA-N 1 3 344.459 1.465 20 0 EDADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000659092710 453626459 /nfs/dbraw/zinc/62/64/59/453626459.db2.gz YMNXOXUWWILEKF-ZDUSSCGKSA-N 1 3 344.459 1.465 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282888 453634700 /nfs/dbraw/zinc/63/47/00/453634700.db2.gz DLBAFDJXNSBASN-OJAHFUOMSA-N 1 3 346.519 1.145 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665361587 453667463 /nfs/dbraw/zinc/66/74/63/453667463.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000665361587 453667467 /nfs/dbraw/zinc/66/74/67/453667467.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 1 3 339.528 1.138 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661202248 453756644 /nfs/dbraw/zinc/75/66/44/453756644.db2.gz ZSSGPASBVARJAQ-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000661202248 453756648 /nfs/dbraw/zinc/75/66/48/453756648.db2.gz ZSSGPASBVARJAQ-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO C[C@@H](CNC(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+](C)C ZINC000661276412 453780750 /nfs/dbraw/zinc/78/07/50/453780750.db2.gz YBVBXOIWTKPIEZ-HNNXBMFYSA-N 1 3 333.480 1.543 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000681788988 487168286 /nfs/dbraw/zinc/16/82/86/487168286.db2.gz NSJAAZGTJBFUGT-RTBURBONSA-N 1 3 344.503 1.798 20 0 EDADHO COC1CCN(CCNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000674327155 487237533 /nfs/dbraw/zinc/23/75/33/487237533.db2.gz RRNNBZNXFNFQBN-UHFFFAOYSA-N 1 3 326.485 1.272 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682282924 487336808 /nfs/dbraw/zinc/33/68/08/487336808.db2.gz VJRRNJGSHTYDOE-UHFFFAOYSA-N 1 3 348.491 1.795 20 0 EDADHO CN1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000676048831 487468677 /nfs/dbraw/zinc/46/86/77/487468677.db2.gz VQLLQTPMPHSGIU-BBWFWOEESA-N 1 3 338.496 1.148 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528967 485503759 /nfs/dbraw/zinc/50/37/59/485503759.db2.gz XXXVWUUDBVBCSQ-VIBAHUMZSA-N 1 3 328.460 1.524 20 0 EDADHO COc1cccc([C@@H](OC)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000668302197 485581469 /nfs/dbraw/zinc/58/14/69/485581469.db2.gz BEZWTJAJLSJBKY-QGZVFWFLSA-N 1 3 337.464 1.335 20 0 EDADHO C[C@H]1CN(CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570863 485592477 /nfs/dbraw/zinc/59/24/77/485592477.db2.gz BKEJVJGBXCIWRE-INIZCTEOSA-N 1 3 338.496 1.272 20 0 EDADHO C[C@@H]([NH3+])CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000669347619 485995623 /nfs/dbraw/zinc/99/56/23/485995623.db2.gz WJTYJILAHLLAJW-WBVHZDCISA-N 1 3 333.480 1.012 20 0 EDADHO O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000238025271 486025167 /nfs/dbraw/zinc/02/51/67/486025167.db2.gz VZFNLNDUSRKWHY-KRWDZBQOSA-N 1 3 330.476 1.457 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669426352 486148305 /nfs/dbraw/zinc/14/83/05/486148305.db2.gz UISDLYRVPAKRMW-MRXNPFEDSA-N 1 3 334.464 1.568 20 0 EDADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(CCN(C)C)c1 ZINC000672687445 486165837 /nfs/dbraw/zinc/16/58/37/486165837.db2.gz OWVZIKYPNTVKFT-GOEBONIOSA-N 1 3 334.468 1.535 20 0 EDADHO [NH3+]C[C@H]1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000669428473 491188605 /nfs/dbraw/zinc/18/86/05/491188605.db2.gz MQJXKRMDJCWRBA-OAHLLOKOSA-N 1 3 336.505 1.950 20 0 EDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188699685 520760547 /nfs/dbraw/zinc/76/05/47/520760547.db2.gz ZYHLRNJZCPLUNF-UHFFFAOYSA-N 1 3 341.459 1.827 20 0 EDADHO CC1CC[NH+](CCCNC(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000173952003 528240315 /nfs/dbraw/zinc/24/03/15/528240315.db2.gz LCYWFMVNWWOVOA-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002257 /nfs/dbraw/zinc/00/22/57/535002257.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 1 3 333.476 1.326 20 0 EDADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002261 /nfs/dbraw/zinc/00/22/61/535002261.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 1 3 333.476 1.326 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339614662 535062764 /nfs/dbraw/zinc/06/27/64/535062764.db2.gz WSSBWBKXGMLQHJ-UHFFFAOYSA-N 1 3 328.501 1.020 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(O)c1 ZINC000263708575 535594300 /nfs/dbraw/zinc/59/43/00/535594300.db2.gz QBOMDMOYDSMVGW-KRWDZBQOSA-N 1 3 333.476 1.809 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cccc(O)c1 ZINC000263708575 535594302 /nfs/dbraw/zinc/59/43/02/535594302.db2.gz QBOMDMOYDSMVGW-KRWDZBQOSA-N 1 3 333.476 1.809 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194831937 535914830 /nfs/dbraw/zinc/91/48/30/535914830.db2.gz PHROQLICKMFOKH-UHFFFAOYSA-N 1 3 348.472 1.515 20 0 EDADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194830050 535939689 /nfs/dbraw/zinc/93/96/89/535939689.db2.gz UTRRQUBVLQXCHA-CQSZACIVSA-N 1 3 332.473 1.547 20 0 EDADHO CNC(=O)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821111 536324693 /nfs/dbraw/zinc/32/46/93/536324693.db2.gz DREUXGCMQVGPQF-CQSZACIVSA-N 1 3 347.463 1.464 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000237166283 536342346 /nfs/dbraw/zinc/34/23/46/536342346.db2.gz NRLOIZSQLQZUJY-MRXNPFEDSA-N 1 3 345.447 1.593 20 0 EDADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC[C@H]21 ZINC000261607856 536378891 /nfs/dbraw/zinc/37/88/91/536378891.db2.gz CZZGCONZUCXYPE-DINLJIAVSA-N 1 3 335.492 1.462 20 0 EDADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@]3(N)[C@@H]4CCCO[C@H]4C3(C)C)CC[C@H]21 ZINC000261607856 536378892 /nfs/dbraw/zinc/37/88/92/536378892.db2.gz CZZGCONZUCXYPE-DINLJIAVSA-N 1 3 335.492 1.462 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618159 578584777 /nfs/dbraw/zinc/58/47/77/578584777.db2.gz HKISIHGUYPRNNN-GVDBMIGSSA-N 1 3 336.480 1.119 20 0 EDADHO CC[NH+](CC)CCNC(=O)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000734264947 578805467 /nfs/dbraw/zinc/80/54/67/578805467.db2.gz OGTMNEFBTFRATN-INIZCTEOSA-N 1 3 326.485 1.271 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)on1 ZINC000750735144 579779008 /nfs/dbraw/zinc/77/90/08/579779008.db2.gz UCQZGPUDBSEPTB-HNNXBMFYSA-N 1 3 338.452 1.236 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)COc1cc(C)on1 ZINC000750735144 579779010 /nfs/dbraw/zinc/77/90/10/579779010.db2.gz UCQZGPUDBSEPTB-HNNXBMFYSA-N 1 3 338.452 1.236 20 0 EDADHO CC(=O)Nc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000784421627 580620680 /nfs/dbraw/zinc/62/06/80/580620680.db2.gz OGGHQKNQOJJRSJ-UHFFFAOYSA-N 1 3 349.479 1.911 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=S)NCCC[NH+](C)C)cc1 ZINC000789395297 580744444 /nfs/dbraw/zinc/74/44/44/580744444.db2.gz PHHOFGUYKDXZEA-MRXNPFEDSA-N 1 3 338.521 1.714 20 0 EDADHO CN(C)CCNC(=S)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798372811 580995600 /nfs/dbraw/zinc/99/56/00/580995600.db2.gz NZPMBTPYIJRZAK-GOSISDBHSA-N 1 3 334.533 1.924 20 0 EDADHO CN(C)CCNC(=S)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798372811 580995601 /nfs/dbraw/zinc/99/56/01/580995601.db2.gz NZPMBTPYIJRZAK-GOSISDBHSA-N 1 3 334.533 1.924 20 0 EDADHO CSC1(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCN(C)CC1 ZINC000891904989 590681462 /nfs/dbraw/zinc/68/14/62/590681462.db2.gz DTPBBAGGJWPVSF-AWEZNQCLSA-N 1 3 342.553 1.891 20 0 EDADHO CC1(C)OC[C@H](CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)O1 ZINC000893488338 590904753 /nfs/dbraw/zinc/90/47/53/590904753.db2.gz SSBJQKLIQJJNPC-ROUUACIJSA-N 1 3 334.460 1.884 20 0 EDADHO CC1(C)OC[C@H](CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)O1 ZINC000893488338 590904756 /nfs/dbraw/zinc/90/47/56/590904756.db2.gz SSBJQKLIQJJNPC-ROUUACIJSA-N 1 3 334.460 1.884 20 0 EDADHO [NH3+][C@@H](CCNC(=O)N[C@@H]1CCCN(CCCO)C1)Cc1ccccc1 ZINC000892407664 591014990 /nfs/dbraw/zinc/01/49/90/591014990.db2.gz BVWMQABREAODSA-ZWKOTPCHSA-N 1 3 348.491 1.093 20 0 EDADHO CO[C@@H]1CC[C@@H]1N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000892521888 591057687 /nfs/dbraw/zinc/05/76/87/591057687.db2.gz IPUHZEFZSXHKEU-DLBZAZTESA-N 1 3 338.496 1.364 20 0 EDADHO CC[NH+]1CCC(CNC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000891480860 591086612 /nfs/dbraw/zinc/08/66/12/591086612.db2.gz ZUWKIAXVTKPWOF-SFHVURJKSA-N 1 3 330.476 1.732 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCCC1 ZINC000891510386 591099304 /nfs/dbraw/zinc/09/93/04/591099304.db2.gz VTGQHACGEQYKNY-JKSUJKDBSA-N 1 3 338.496 1.101 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891528737 591108297 /nfs/dbraw/zinc/10/82/97/591108297.db2.gz JZDJOGRZOKJRNG-OAHLLOKOSA-N 1 3 340.512 1.789 20 0 EDADHO CN(CC1CCN(C)CC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776076 591171308 /nfs/dbraw/zinc/17/13/08/591171308.db2.gz ABYKNRCUCXJKBS-MRXNPFEDSA-N 1 3 338.496 1.128 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892804608 591184487 /nfs/dbraw/zinc/18/44/87/591184487.db2.gz XHKLUDWEVFOGHX-OLMNPRSZSA-N 1 3 330.476 1.683 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892804608 591184490 /nfs/dbraw/zinc/18/44/90/591184490.db2.gz XHKLUDWEVFOGHX-OLMNPRSZSA-N 1 3 330.476 1.683 20 0 EDADHO CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000892817147 591190792 /nfs/dbraw/zinc/19/07/92/591190792.db2.gz AGPCDXOKQMZHQP-LSDHHAIUSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000891703851 591193113 /nfs/dbraw/zinc/19/31/13/591193113.db2.gz IYJWKWMRICTZOU-SQWLQELKSA-N 1 3 331.464 1.738 20 0 EDADHO C[N@@H+]1CC[C@H](NC(=O)NCc2cc(N)ccn2)[C@H]1c1ccccc1 ZINC000891723669 591198966 /nfs/dbraw/zinc/19/89/66/591198966.db2.gz SWENUASXCDQUNJ-DLBZAZTESA-N 1 3 325.416 1.908 20 0 EDADHO C[N@H+]1CC[C@H](NC(=O)NCc2cc(N)ccn2)[C@H]1c1ccccc1 ZINC000891723669 591198970 /nfs/dbraw/zinc/19/89/70/591198970.db2.gz SWENUASXCDQUNJ-DLBZAZTESA-N 1 3 325.416 1.908 20 0 EDADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208518 /nfs/dbraw/zinc/20/85/18/591208518.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO CN1CCN(C(C)(C)CNC(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208519 /nfs/dbraw/zinc/20/85/19/591208519.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CCN(C)CC1 ZINC000891764488 591215609 /nfs/dbraw/zinc/21/56/09/591215609.db2.gz FHHNSZWJZNCHMZ-YJBOKZPZSA-N 1 3 330.476 1.896 20 0 EDADHO CCN1CC[NH+](CCCCNCc2ncc(C(=O)OC)s2)CC1 ZINC000894174621 591217122 /nfs/dbraw/zinc/21/71/22/591217122.db2.gz WCSVGSPVEXRXLA-UHFFFAOYSA-N 1 3 340.493 1.437 20 0 EDADHO Cn1ncc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1C1CC1 ZINC000894458765 591316906 /nfs/dbraw/zinc/31/69/06/591316906.db2.gz ZMZOENBEDSYUPI-UHFFFAOYSA-N 1 3 331.508 1.757 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000898585360 591423601 /nfs/dbraw/zinc/42/36/01/591423601.db2.gz UFZJLSCMEVQPFM-JKSUJKDBSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C[C@H]1CCC2(CCC2)O1 ZINC000898585360 591423604 /nfs/dbraw/zinc/42/36/04/591423604.db2.gz UFZJLSCMEVQPFM-JKSUJKDBSA-N 1 3 325.497 1.866 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000897442782 591454212 /nfs/dbraw/zinc/45/42/12/591454212.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000897442782 591454215 /nfs/dbraw/zinc/45/42/15/591454215.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000896427926 591464149 /nfs/dbraw/zinc/46/41/49/591464149.db2.gz ISIXYMZKJPMSHI-CVEARBPZSA-N 1 3 327.538 1.391 20 0 EDADHO CN1CCC(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000894957391 591491853 /nfs/dbraw/zinc/49/18/53/591491853.db2.gz GZKZOKBUTVLMCB-UHFFFAOYSA-N 1 3 341.496 1.680 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897546039 591545248 /nfs/dbraw/zinc/54/52/48/591545248.db2.gz WGRJUKDMDSWIEV-QGZVFWFLSA-N 1 3 347.507 1.887 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897546039 591545250 /nfs/dbraw/zinc/54/52/50/591545250.db2.gz WGRJUKDMDSWIEV-QGZVFWFLSA-N 1 3 347.507 1.887 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccncc1)C1CC1 ZINC000899015809 591636005 /nfs/dbraw/zinc/63/60/05/591636005.db2.gz VSURSESMUNHBNY-KRWDZBQOSA-N 1 3 333.480 1.668 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000900013686 591872320 /nfs/dbraw/zinc/87/23/20/591872320.db2.gz OAIZEDCJICOIST-UYAOXDASSA-N 1 3 345.487 1.787 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000900013686 591872323 /nfs/dbraw/zinc/87/23/23/591872323.db2.gz OAIZEDCJICOIST-UYAOXDASSA-N 1 3 345.487 1.787 20 0 EDADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000898353252 591885445 /nfs/dbraw/zinc/88/54/45/591885445.db2.gz DFVOMYGAZHIGDI-RHSMWYFYSA-N 1 3 348.447 1.089 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900260406 591964024 /nfs/dbraw/zinc/96/40/24/591964024.db2.gz FNNPEESBBGFGAE-GOSISDBHSA-N 1 3 335.448 1.412 20 0 EDADHO CN(C)CCOc1ccc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc1 ZINC000900260406 591964025 /nfs/dbraw/zinc/96/40/25/591964025.db2.gz FNNPEESBBGFGAE-GOSISDBHSA-N 1 3 335.448 1.412 20 0 EDADHO C[C@H](CN1CCN(c2ccccn2)CC1)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331953 591980221 /nfs/dbraw/zinc/98/02/21/591980221.db2.gz XCWWAWPDLWIHOL-QZTJIDSGSA-N 1 3 345.535 1.960 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cnn(CCF)c2)CC[NH2+]CC1 ZINC000902442233 591996591 /nfs/dbraw/zinc/99/65/91/591996591.db2.gz AJEYICUHHZQUCJ-CYBMUJFWSA-N 1 3 326.416 1.264 20 0 EDADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC2CCN(C)CC2)nn1 ZINC000900571432 592055247 /nfs/dbraw/zinc/05/52/47/592055247.db2.gz PTQUZZCBNZZDLV-SFHVURJKSA-N 1 3 334.512 1.725 20 0 EDADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CNC2CCN(C)CC2)nn1 ZINC000900571432 592055250 /nfs/dbraw/zinc/05/52/50/592055250.db2.gz PTQUZZCBNZZDLV-SFHVURJKSA-N 1 3 334.512 1.725 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900656317 592082337 /nfs/dbraw/zinc/08/23/37/592082337.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 1 3 339.524 1.850 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCCN(C)C2)C1 ZINC000900656317 592082340 /nfs/dbraw/zinc/08/23/40/592082340.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 1 3 339.524 1.850 20 0 EDADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCO[C@@]12CCOC2 ZINC000903170672 592133377 /nfs/dbraw/zinc/13/33/77/592133377.db2.gz ANTVXFCZJXJRJO-QZTJIDSGSA-N 1 3 335.448 1.450 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)C12CC[NH+](CC1)C2 ZINC000900903963 592166650 /nfs/dbraw/zinc/16/66/50/592166650.db2.gz MYRBTSSDOLUFRQ-UHFFFAOYSA-N 1 3 343.471 1.355 20 0 EDADHO FC(F)(F)[C@H]1CC[C@@H](CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460133 592171835 /nfs/dbraw/zinc/17/18/35/592171835.db2.gz XVZOHTIVNNQBFQ-RFQIPJPRSA-N 1 3 334.382 1.797 20 0 EDADHO C[C@@H](C(=O)NC(=O)Nc1ccccc1F)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903495856 592187511 /nfs/dbraw/zinc/18/75/11/592187511.db2.gz AGQLKTNBHAKZDL-FRRDWIJNSA-N 1 3 336.411 1.779 20 0 EDADHO CC(C)(C)N1CCCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906648058 592233192 /nfs/dbraw/zinc/23/31/92/592233192.db2.gz DGSXHVVRYLVPBE-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657421 592238916 /nfs/dbraw/zinc/23/89/16/592238916.db2.gz YQRMVIFEPGCRNZ-HNNXBMFYSA-N 1 3 344.459 1.274 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CN)C1 ZINC000906657421 592238920 /nfs/dbraw/zinc/23/89/20/592238920.db2.gz YQRMVIFEPGCRNZ-HNNXBMFYSA-N 1 3 344.459 1.274 20 0 EDADHO Cc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n(C2CCN(C)CC2)n1 ZINC000904367034 592239349 /nfs/dbraw/zinc/23/93/49/592239349.db2.gz UPVAXPLEAIRYQE-VHDGCEQUSA-N 1 3 332.452 1.473 20 0 EDADHO c1cc(N2CC[NH2+]CC2)oc1CNc1ccc2c(c1)OCCNC2 ZINC000904380782 592246079 /nfs/dbraw/zinc/24/60/79/592246079.db2.gz GOMAZRNQZWIRHR-UHFFFAOYSA-N 1 3 328.416 1.783 20 0 EDADHO CCNC(=O)COc1ccc(CN2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904405082 592250654 /nfs/dbraw/zinc/25/06/54/592250654.db2.gz IVSMNQYZVCTYOR-AWEZNQCLSA-N 1 3 335.448 1.381 20 0 EDADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679867 592260777 /nfs/dbraw/zinc/26/07/77/592260777.db2.gz NCHYIGLNKIQJEN-OAHLLOKOSA-N 1 3 332.448 1.372 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NC[C@@H]3CCCCC[NH2+]3)n2)CC1 ZINC000904456502 592264797 /nfs/dbraw/zinc/26/47/97/592264797.db2.gz FFLALGGPLZFBMZ-AWEZNQCLSA-N 1 3 334.468 1.804 20 0 EDADHO CNC(=O)c1ccc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718604 592280931 /nfs/dbraw/zinc/28/09/31/592280931.db2.gz PLDAUWJYMKPWTC-QGZVFWFLSA-N 1 3 331.460 1.637 20 0 EDADHO CCCNC(=O)C1(NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCCC1 ZINC000903733094 592281641 /nfs/dbraw/zinc/28/16/41/592281641.db2.gz JPUGOJGBHFGZAW-INIZCTEOSA-N 1 3 337.508 1.964 20 0 EDADHO COc1ccc([C@@H](CO)N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903728918 592285830 /nfs/dbraw/zinc/28/58/30/592285830.db2.gz HMPUEUIPEUUELO-QZTJIDSGSA-N 1 3 334.460 1.819 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000906736291 592302520 /nfs/dbraw/zinc/30/25/20/592302520.db2.gz TWSPDTJJYBNHBG-INIZCTEOSA-N 1 3 346.475 1.644 20 0 EDADHO C(CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1)OC1CCSCC1 ZINC000903775576 592318220 /nfs/dbraw/zinc/31/82/20/592318220.db2.gz MFUZWVIYYXUEBD-QGZVFWFLSA-N 1 3 328.522 1.989 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(N2CCNCC2)no1 ZINC000904740643 592320295 /nfs/dbraw/zinc/32/02/95/592320295.db2.gz LLWCBFFTKIPYCP-GDBMZVCRSA-N 1 3 327.432 1.715 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(N2CCNCC2)no1 ZINC000904740643 592320300 /nfs/dbraw/zinc/32/03/00/592320300.db2.gz LLWCBFFTKIPYCP-GDBMZVCRSA-N 1 3 327.432 1.715 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000901314324 592337119 /nfs/dbraw/zinc/33/71/19/592337119.db2.gz IVPMPLOWUIUKEO-LJQANCHMSA-N 1 3 346.475 1.261 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000901314324 592337123 /nfs/dbraw/zinc/33/71/23/592337123.db2.gz IVPMPLOWUIUKEO-LJQANCHMSA-N 1 3 346.475 1.261 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903860711 592349150 /nfs/dbraw/zinc/34/91/50/592349150.db2.gz UKFFXPWWFZYSHO-SCTDSRPQSA-N 1 3 330.476 1.219 20 0 EDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCCc1ccc2c(c1)OCCO2 ZINC000903922733 592378530 /nfs/dbraw/zinc/37/85/30/592378530.db2.gz DAEYVYDNYBFPCR-HNNXBMFYSA-N 1 3 343.431 1.306 20 0 EDADHO CN(C)[C@H](CNCc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926332 592380846 /nfs/dbraw/zinc/38/08/46/592380846.db2.gz KVILZDBRNPTAHB-FUHWJXTLSA-N 1 3 328.464 1.595 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947732 592394582 /nfs/dbraw/zinc/39/45/82/592394582.db2.gz GHVFJXOYZIABKA-WMZOPIPTSA-N 1 3 337.508 1.712 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947732 592394586 /nfs/dbraw/zinc/39/45/86/592394586.db2.gz GHVFJXOYZIABKA-WMZOPIPTSA-N 1 3 337.508 1.712 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000905073577 592403234 /nfs/dbraw/zinc/40/32/34/592403234.db2.gz DTCIXENIYXIGAE-GBESFXJTSA-N 1 3 334.460 1.407 20 0 EDADHO O[C@@H](CCOCc1ccccc1)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000905073577 592403237 /nfs/dbraw/zinc/40/32/37/592403237.db2.gz DTCIXENIYXIGAE-GBESFXJTSA-N 1 3 334.460 1.407 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H](O)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000905151404 592440293 /nfs/dbraw/zinc/44/02/93/592440293.db2.gz AODBBLBPGGLEJL-NZSAHSFTSA-N 1 3 348.487 1.532 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@@H](O)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000905151404 592440298 /nfs/dbraw/zinc/44/02/98/592440298.db2.gz AODBBLBPGGLEJL-NZSAHSFTSA-N 1 3 348.487 1.532 20 0 EDADHO O[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905176447 592455976 /nfs/dbraw/zinc/45/59/76/592455976.db2.gz ROVCPRVECNIXFS-KSZLIROESA-N 1 3 340.508 1.400 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)cc2)CC1 ZINC000904282078 592468389 /nfs/dbraw/zinc/46/83/89/592468389.db2.gz QBNYCUUGOYYKOK-CGTJXYLNSA-N 1 3 343.475 1.843 20 0 EDADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000907166767 592531786 /nfs/dbraw/zinc/53/17/86/592531786.db2.gz MHKWCPCBOCSWOS-QGZVFWFLSA-N 1 3 348.491 1.760 20 0 EDADHO CCC[N@H+]1CCC[C@@H](C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000907166767 592531787 /nfs/dbraw/zinc/53/17/87/592531787.db2.gz MHKWCPCBOCSWOS-QGZVFWFLSA-N 1 3 348.491 1.760 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC000908597019 592548493 /nfs/dbraw/zinc/54/84/93/592548493.db2.gz DYHMLGMMAZBYBC-MRXNPFEDSA-N 1 3 325.497 1.602 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906644087 592865516 /nfs/dbraw/zinc/86/55/16/592865516.db2.gz HLFLITPRWMNUMV-AWEZNQCLSA-N 1 3 332.448 1.465 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906644087 592865517 /nfs/dbraw/zinc/86/55/17/592865517.db2.gz HLFLITPRWMNUMV-AWEZNQCLSA-N 1 3 332.448 1.465 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734281687 592959505 /nfs/dbraw/zinc/95/95/05/592959505.db2.gz BSYSZFNXTKQSSK-QGZVFWFLSA-N 1 3 338.496 1.367 20 0 EDADHO CNC1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CCC1 ZINC000911735132 592992741 /nfs/dbraw/zinc/99/27/41/592992741.db2.gz GQSYISAKOPFRNR-UHFFFAOYSA-N 1 3 331.416 1.676 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(CN(C)C)cc1 ZINC000803202766 593309222 /nfs/dbraw/zinc/30/92/22/593309222.db2.gz YYQAHKNPOKQKMX-HNNXBMFYSA-N 1 3 348.491 1.163 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000816450807 593524608 /nfs/dbraw/zinc/52/46/08/593524608.db2.gz CLRYPJBQTOQQCQ-DJIMGWMZSA-N 1 3 330.428 1.919 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)C1CCN(C)C1=O ZINC000816450807 593524609 /nfs/dbraw/zinc/52/46/09/593524609.db2.gz CLRYPJBQTOQQCQ-DJIMGWMZSA-N 1 3 330.428 1.919 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccc3c2OCCO3)CC[NH2+]CC1 ZINC000817912736 593648260 /nfs/dbraw/zinc/64/82/60/593648260.db2.gz RFMMRJXKUIEGMY-CQSZACIVSA-N 1 3 348.443 1.869 20 0 EDADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809462 593895233 /nfs/dbraw/zinc/89/52/33/593895233.db2.gz BFFRBLHYJYOXAT-KRWDZBQOSA-N 1 3 342.491 1.946 20 0 EDADHO CNC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000824820320 594079864 /nfs/dbraw/zinc/07/98/64/594079864.db2.gz WVMUSIDMTJJJIS-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CNC(=O)Nc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000824820320 594079866 /nfs/dbraw/zinc/07/98/66/594079866.db2.gz WVMUSIDMTJJJIS-AWEZNQCLSA-N 1 3 349.479 1.440 20 0 EDADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831411513 594626023 /nfs/dbraw/zinc/62/60/23/594626023.db2.gz BRZNYJLVXZYMGC-INIZCTEOSA-N 1 3 327.831 1.932 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CNCCO3)cc2)CC1 ZINC000831509541 594679744 /nfs/dbraw/zinc/67/97/44/594679744.db2.gz FGEAGNICKMUFHC-GOSISDBHSA-N 1 3 346.475 1.534 20 0 EDADHO CCO[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C[NH+](C)C ZINC000831756753 594699972 /nfs/dbraw/zinc/69/99/72/594699972.db2.gz KYQBQTOFTXVRRB-QZTJIDSGSA-N 1 3 348.491 1.377 20 0 EDADHO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841009977 594838502 /nfs/dbraw/zinc/83/85/02/594838502.db2.gz RTJNPGGCDYINPD-AEFFLSMTSA-N 1 3 333.476 1.548 20 0 EDADHO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841009977 594838505 /nfs/dbraw/zinc/83/85/05/594838505.db2.gz RTJNPGGCDYINPD-AEFFLSMTSA-N 1 3 333.476 1.548 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)c1 ZINC000841019071 594840100 /nfs/dbraw/zinc/84/01/00/594840100.db2.gz BLAJMTJZZWDNOA-HNNXBMFYSA-N 1 3 346.475 1.725 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)c1 ZINC000841019072 594840214 /nfs/dbraw/zinc/84/02/14/594840214.db2.gz BLAJMTJZZWDNOA-OAHLLOKOSA-N 1 3 346.475 1.725 20 0 EDADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100086 594850713 /nfs/dbraw/zinc/85/07/13/594850713.db2.gz TZLVUWUWEWGILI-MJGOQNOKSA-N 1 3 341.459 1.986 20 0 EDADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000841845949 594963874 /nfs/dbraw/zinc/96/38/74/594963874.db2.gz CJVPAFHYEDKSSB-COXVUDFISA-N 1 3 345.443 1.922 20 0 EDADHO C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CCN(Cc2ccccc2)C1 ZINC000841895575 594976009 /nfs/dbraw/zinc/97/60/09/594976009.db2.gz FXFFHWLSAUNPOC-MJGOQNOKSA-N 1 3 330.476 1.950 20 0 EDADHO CN1CCCN(c2ccc(-c3noc(C[C@H]([NH3+])C4CC4)n3)cn2)CC1 ZINC000843207029 595034619 /nfs/dbraw/zinc/03/46/19/595034619.db2.gz IGVDFVLQPJGLQC-HNNXBMFYSA-N 1 3 342.447 1.553 20 0 EDADHO CN1CCC(NC(=S)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000843283500 595061342 /nfs/dbraw/zinc/06/13/42/595061342.db2.gz ZEXCRFOBTPYQNK-AEFFLSMTSA-N 1 3 346.544 1.890 20 0 EDADHO CN1CCC(NC(=S)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000843283500 595061347 /nfs/dbraw/zinc/06/13/47/595061347.db2.gz ZEXCRFOBTPYQNK-AEFFLSMTSA-N 1 3 346.544 1.890 20 0 EDADHO CN(C)CCN(Cc1cccs1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843490722 595128617 /nfs/dbraw/zinc/12/86/17/595128617.db2.gz WYNUUPMJEJIGDT-CQSZACIVSA-N 1 3 325.478 1.407 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000843495782 595130636 /nfs/dbraw/zinc/13/06/36/595130636.db2.gz VPOUNJKUECTJTD-FUHWJXTLSA-N 1 3 335.423 1.650 20 0 EDADHO NC1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000844172370 595290718 /nfs/dbraw/zinc/29/07/18/595290718.db2.gz WDASIUVLTCSDHZ-GOSISDBHSA-N 1 3 343.471 1.242 20 0 EDADHO C[NH+](C)CCOc1ccc(-c2noc(C[C@@H]3CNCCO3)n2)cc1 ZINC000843177721 595299983 /nfs/dbraw/zinc/29/99/83/595299983.db2.gz FBKNLOOMRIHQDL-OAHLLOKOSA-N 1 3 332.404 1.208 20 0 EDADHO CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCC([NH3+])CC1 ZINC000844221048 595306187 /nfs/dbraw/zinc/30/61/87/595306187.db2.gz RGCCBQZTPIUUGS-UHFFFAOYSA-N 1 3 348.466 1.676 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCn4ccnc43)CC2)CC1 ZINC000848158693 595330463 /nfs/dbraw/zinc/33/04/63/595330463.db2.gz WWHZULMHSFIEKF-QGZVFWFLSA-N 1 3 345.491 1.640 20 0 EDADHO CCN1C[C@@H](CN2CCCN(C3CC[NH+](CC)CC3)CC2)OC1=O ZINC000847000542 595348998 /nfs/dbraw/zinc/34/89/98/595348998.db2.gz GDSFTUCZAXIZBX-QGZVFWFLSA-N 1 3 338.496 1.319 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCOC3CCC3)CC2)CC1 ZINC000847532232 595442385 /nfs/dbraw/zinc/44/23/85/595442385.db2.gz BDBIQBAGEBSKGI-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO [NH2+]=C(NCC1CCC1)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000849117666 595484766 /nfs/dbraw/zinc/48/47/66/595484766.db2.gz PCSSWBZOSMGHDZ-UHFFFAOYSA-N 1 3 330.476 1.928 20 0 EDADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852868380 595587456 /nfs/dbraw/zinc/58/74/56/595587456.db2.gz RNUXKIYLYACYRK-HOTGVXAUSA-N 1 3 330.432 1.071 20 0 EDADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](CN)C1 ZINC000852868380 595587458 /nfs/dbraw/zinc/58/74/58/595587458.db2.gz RNUXKIYLYACYRK-HOTGVXAUSA-N 1 3 330.432 1.071 20 0 EDADHO NC(=O)[C@@](O)(CN1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000851727206 595899967 /nfs/dbraw/zinc/89/99/67/595899967.db2.gz GNFRUENLKVTALD-LJQANCHMSA-N 1 3 331.460 1.167 20 0 EDADHO CNC(=O)CCC[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605322 596031980 /nfs/dbraw/zinc/03/19/80/596031980.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 1 3 348.491 1.901 20 0 EDADHO CNC(=O)CCC[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856605322 596031983 /nfs/dbraw/zinc/03/19/83/596031983.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 1 3 348.491 1.901 20 0 EDADHO C[C@@]1(CNC(=O)NCCOCCC[NH3+])CCN(Cc2ccccc2)C1 ZINC000861629037 596051433 /nfs/dbraw/zinc/05/14/33/596051433.db2.gz CFULRMMTCPOTMD-IBGZPJMESA-N 1 3 348.491 1.563 20 0 EDADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861712664 596077271 /nfs/dbraw/zinc/07/72/71/596077271.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 1 3 335.492 1.309 20 0 EDADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861712664 596077273 /nfs/dbraw/zinc/07/72/73/596077273.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 1 3 335.492 1.309 20 0 EDADHO CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000861912496 596147050 /nfs/dbraw/zinc/14/70/50/596147050.db2.gz QUCNKKSXKDGGJJ-CCFOBEKMSA-N 1 3 343.471 1.659 20 0 EDADHO CCN1CCN(CCC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000870958202 596417721 /nfs/dbraw/zinc/41/77/21/596417721.db2.gz LVBFCIGEZWULJA-UHFFFAOYSA-N 1 3 338.540 1.641 20 0 EDADHO CN1CCN(C2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000870981987 596428284 /nfs/dbraw/zinc/42/82/84/596428284.db2.gz UVLMOGYQYHVZDK-IBGZPJMESA-N 1 3 344.503 1.705 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc(Cl)n1 ZINC000870983308 596429400 /nfs/dbraw/zinc/42/94/00/596429400.db2.gz VBGDGNJQUJQNLZ-YUELXQCFSA-N 1 3 336.867 1.986 20 0 EDADHO Cc1cc([C@H](N)CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc(Cl)n1 ZINC000870983308 596429403 /nfs/dbraw/zinc/42/94/03/596429403.db2.gz VBGDGNJQUJQNLZ-YUELXQCFSA-N 1 3 336.867 1.986 20 0 EDADHO CN(C)CCn1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000865085841 596468661 /nfs/dbraw/zinc/46/86/61/596468661.db2.gz RETUUVNGLGPXGT-UHFFFAOYSA-N 1 3 343.475 1.779 20 0 EDADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCC2SCCS2)CC1 ZINC000863548640 596614391 /nfs/dbraw/zinc/61/43/91/596614391.db2.gz UUCXVJOJSQZVSY-QWHCGFSZSA-N 1 3 343.518 1.440 20 0 EDADHO Cc1ncsc1CCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549179 596614639 /nfs/dbraw/zinc/61/46/39/596614639.db2.gz BVIWRFZVTDZPRP-KGLIPLIRSA-N 1 3 336.461 1.251 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCOC)CC2CCN(C)CC2)CC[N@@H+]1C ZINC000869759719 596620117 /nfs/dbraw/zinc/62/01/17/596620117.db2.gz LUTZYDYUZHIMIU-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N(CCOC)CC2CCN(C)CC2)CC[N@H+]1C ZINC000869759719 596620120 /nfs/dbraw/zinc/62/01/20/596620120.db2.gz LUTZYDYUZHIMIU-DLBZAZTESA-N 1 3 325.497 1.534 20 0 EDADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCOC1 ZINC000872080040 596801591 /nfs/dbraw/zinc/80/15/91/596801591.db2.gz RXISVKDXFFKNGI-ZWKOTPCHSA-N 1 3 339.524 1.578 20 0 EDADHO O=C1N[C@@H]2CN(C[C@H]3CC4(CCC4)CO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145831 596810187 /nfs/dbraw/zinc/81/01/87/596810187.db2.gz WQOSHELOHKJCEZ-BRWVUGGUSA-N 1 3 348.491 1.166 20 0 EDADHO CC[C@H](c1ccc(F)cc1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000872146083 596810247 /nfs/dbraw/zinc/81/02/47/596810247.db2.gz FEUQIYLIAXWCHS-LJQANCHMSA-N 1 3 334.483 1.800 20 0 EDADHO COCCCNC(=O)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158497 596816988 /nfs/dbraw/zinc/81/69/88/596816988.db2.gz VRSLZMLRBRPRTK-DOTOQJQBSA-N 1 3 325.497 1.759 20 0 EDADHO COCCCNC(=O)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158500 596817132 /nfs/dbraw/zinc/81/71/32/596817132.db2.gz VRSLZMLRBRPRTK-WBVHZDCISA-N 1 3 325.497 1.759 20 0 EDADHO CCOC(=O)C1=CC[C@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000872216020 596840084 /nfs/dbraw/zinc/84/00/84/596840084.db2.gz MBYMONSIWOHOFJ-ICSRJNTNSA-N 1 3 344.455 1.865 20 0 EDADHO CCOC(=O)C1=CC[C@H](NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000872216020 596840087 /nfs/dbraw/zinc/84/00/87/596840087.db2.gz MBYMONSIWOHOFJ-ICSRJNTNSA-N 1 3 344.455 1.865 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872308254 596876420 /nfs/dbraw/zinc/87/64/20/596876420.db2.gz UMAFJOWIUJIQJU-SJORKVTESA-N 1 3 337.508 1.997 20 0 EDADHO CN1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCC1(C)C ZINC000874095120 596925529 /nfs/dbraw/zinc/92/55/29/596925529.db2.gz QJHPCPUCMFJAER-UHFFFAOYSA-N 1 3 346.475 1.629 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)cn2)CC1 ZINC000876016734 597066037 /nfs/dbraw/zinc/06/60/37/597066037.db2.gz CTYVNOZBCFGHTA-YOEHRIQHSA-N 1 3 346.479 1.708 20 0 EDADHO CN1CCC(n2cc(NC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)cn2)CC1 ZINC000876016734 597066041 /nfs/dbraw/zinc/06/60/41/597066041.db2.gz CTYVNOZBCFGHTA-YOEHRIQHSA-N 1 3 346.479 1.708 20 0 EDADHO COCCC1(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[NH2+]CC1 ZINC000874429100 597074431 /nfs/dbraw/zinc/07/44/31/597074431.db2.gz AYAIZBMOROLKAB-KRWDZBQOSA-N 1 3 348.491 1.747 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000874431701 597075758 /nfs/dbraw/zinc/07/57/58/597075758.db2.gz BFLRQAROIXOTQW-ZHALLVOQSA-N 1 3 328.460 1.845 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000874431588 597075775 /nfs/dbraw/zinc/07/57/75/597075775.db2.gz ACEAOJRKHXGXKV-SFHVURJKSA-N 1 3 330.476 1.873 20 0 EDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250316 597240506 /nfs/dbraw/zinc/24/05/06/597240506.db2.gz QRIBUNDHTADWKH-JKSUJKDBSA-N 1 3 330.432 1.346 20 0 EDADHO CN(C)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000876738968 597315939 /nfs/dbraw/zinc/31/59/39/597315939.db2.gz BALCSCNAKUTFKV-SFHVURJKSA-N 1 3 332.492 1.568 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876739332 597315991 /nfs/dbraw/zinc/31/59/91/597315991.db2.gz ORZDIXGOKIYARA-ZDUSSCGKSA-N 1 3 347.488 1.582 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000876739332 597315996 /nfs/dbraw/zinc/31/59/96/597315996.db2.gz ORZDIXGOKIYARA-ZDUSSCGKSA-N 1 3 347.488 1.582 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000876897143 597375929 /nfs/dbraw/zinc/37/59/29/597375929.db2.gz QBQYZMYKTPBQTB-OKZBNKHCSA-N 1 3 345.487 1.767 20 0 EDADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876904288 597378605 /nfs/dbraw/zinc/37/86/05/597378605.db2.gz XYJIHHZKQLGTGL-NJAFHUGGSA-N 1 3 349.450 1.896 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876942553 597391734 /nfs/dbraw/zinc/39/17/34/597391734.db2.gz ZFGGEATXQNXGCJ-OAHLLOKOSA-N 1 3 347.507 1.996 20 0 EDADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c(CN)cnn2C)CC1 ZINC000876942553 597391737 /nfs/dbraw/zinc/39/17/37/597391737.db2.gz ZFGGEATXQNXGCJ-OAHLLOKOSA-N 1 3 347.507 1.996 20 0 EDADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000876957267 597396242 /nfs/dbraw/zinc/39/62/42/597396242.db2.gz VZOQYJWIAUZMKG-ZACQAIPSSA-N 1 3 345.491 1.863 20 0 EDADHO CC1(C)[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C[C@@H]1[NH3+] ZINC000876960974 597397273 /nfs/dbraw/zinc/39/72/73/597397273.db2.gz BRFHUKURIHCFKB-IRXDYDNUSA-N 1 3 330.476 1.783 20 0 EDADHO COC(=O)c1cccc2c(C[NH2+]C[C@H](O)CN3CCCC3)ccnc12 ZINC000876965270 597400126 /nfs/dbraw/zinc/40/01/26/597400126.db2.gz ATJZGIKWGDPEJN-HNNXBMFYSA-N 1 3 343.427 1.568 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151770 597444143 /nfs/dbraw/zinc/44/41/43/597444143.db2.gz RESWZQFTLCYHMO-SJORKVTESA-N 1 3 332.492 1.340 20 0 EDADHO C[C@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000877399275 597509946 /nfs/dbraw/zinc/50/99/46/597509946.db2.gz MAMXWKCEFQYZBB-CYBMUJFWSA-N 1 3 329.485 1.725 20 0 EDADHO C[C@H](NCC(=O)NC1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000878426367 597600968 /nfs/dbraw/zinc/60/09/68/597600968.db2.gz ZJWOZWLLNOSIRX-NJSLBKSFSA-N 1 3 331.460 1.740 20 0 EDADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCN(C)CCOCCO)CC1 ZINC000883349946 597722138 /nfs/dbraw/zinc/72/21/38/597722138.db2.gz RITGNADVWWCPTK-PKOBYXMFSA-N 1 3 341.540 1.560 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000884309052 598061219 /nfs/dbraw/zinc/06/12/19/598061219.db2.gz KQHVVSPVQCNERR-SFHVURJKSA-N 1 3 349.475 1.468 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673346 697479622 /nfs/dbraw/zinc/47/96/22/697479622.db2.gz GCMNWLNKKYPEED-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673346 697479623 /nfs/dbraw/zinc/47/96/23/697479623.db2.gz GCMNWLNKKYPEED-NVXWUHKLSA-N 1 3 337.508 1.724 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689345 697530980 /nfs/dbraw/zinc/53/09/80/697530980.db2.gz TXDKJHMRVIRNCZ-ZWKOTPCHSA-N 1 3 333.476 1.398 20 0 EDADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001031689345 697530982 /nfs/dbraw/zinc/53/09/82/697530982.db2.gz TXDKJHMRVIRNCZ-ZWKOTPCHSA-N 1 3 333.476 1.398 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC000921439223 697613504 /nfs/dbraw/zinc/61/35/04/697613504.db2.gz VHGMWKIEFPAGLW-NVXWUHKLSA-N 1 3 338.496 1.413 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810402 699958600 /nfs/dbraw/zinc/95/86/00/699958600.db2.gz MXBOQMCSBIBJRG-CRAIPNDOSA-N 1 3 347.507 1.541 20 0 EDADHO CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCCN3C)CC2)n1 ZINC000940178870 700312774 /nfs/dbraw/zinc/31/27/74/700312774.db2.gz ODYKRKHMHFRGJF-KRWDZBQOSA-N 1 3 347.507 1.858 20 0 EDADHO Cn1ccnc1CNC1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296667 700468822 /nfs/dbraw/zinc/46/88/22/700468822.db2.gz SDDLZQGDEUZDJA-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO COc1cc(CNC[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995167705 701651690 /nfs/dbraw/zinc/65/16/90/701651690.db2.gz KMXFCUWPKYGJNX-ZIAGYGMSSA-N 1 3 348.447 1.154 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918105 700995652 /nfs/dbraw/zinc/99/56/52/700995652.db2.gz KSYIPBRPRWZVDI-SJORKVTESA-N 1 3 337.508 1.724 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000940918105 700995653 /nfs/dbraw/zinc/99/56/53/700995653.db2.gz KSYIPBRPRWZVDI-SJORKVTESA-N 1 3 337.508 1.724 20 0 EDADHO Cc1cccnc1CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167555 706594452 /nfs/dbraw/zinc/59/44/52/706594452.db2.gz ASVFCIKUBREZKJ-ROUUACIJSA-N 1 3 342.487 1.812 20 0 EDADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](NCc2cccnc2)C1 ZINC000999171208 706601643 /nfs/dbraw/zinc/60/16/43/706601643.db2.gz URQFZXULABFZDJ-ZWKOTPCHSA-N 1 3 328.460 1.504 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976349 701959611 /nfs/dbraw/zinc/95/96/11/701959611.db2.gz JJUSWNCCBKJGHP-KXBFYZLASA-N 1 3 345.487 1.483 20 0 EDADHO COc1ccc(CCN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976349 701959615 /nfs/dbraw/zinc/95/96/15/701959615.db2.gz JJUSWNCCBKJGHP-KXBFYZLASA-N 1 3 345.487 1.483 20 0 EDADHO Cn1cc(CN[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)cn1 ZINC000995817853 702133913 /nfs/dbraw/zinc/13/39/13/702133913.db2.gz AOXCLWCPNIUJAJ-IRXDYDNUSA-N 1 3 345.491 1.089 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)C1 ZINC001032182108 702183951 /nfs/dbraw/zinc/18/39/51/702183951.db2.gz FEAGRCHGMRILNT-QGZVFWFLSA-N 1 3 333.451 1.758 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(CCCc3cccc(F)c3)C2)C1 ZINC001032182108 702183952 /nfs/dbraw/zinc/18/39/52/702183952.db2.gz FEAGRCHGMRILNT-QGZVFWFLSA-N 1 3 333.451 1.758 20 0 EDADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1 ZINC000995189260 702227869 /nfs/dbraw/zinc/22/78/69/702227869.db2.gz ZZFDNVQHAQHHKC-CVEARBPZSA-N 1 3 334.464 1.562 20 0 EDADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)C1CC1 ZINC000995890467 702232016 /nfs/dbraw/zinc/23/20/16/702232016.db2.gz BHPPZXCHHVMLTG-HOTGVXAUSA-N 1 3 333.480 1.050 20 0 EDADHO CN(CC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C(C)(C)C1)C1CCC1 ZINC000995920118 702240689 /nfs/dbraw/zinc/24/06/89/702240689.db2.gz SMGUVDIUUZPERV-DLBZAZTESA-N 1 3 337.508 1.866 20 0 EDADHO C[C@@H]1CN(CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169660 702411685 /nfs/dbraw/zinc/41/16/85/702411685.db2.gz PCSODHJDLAGIHE-CHWSQXEVSA-N 1 3 333.398 1.861 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522040 702857555 /nfs/dbraw/zinc/85/75/55/702857555.db2.gz XLJDTTQYEVXIQN-WBVHZDCISA-N 1 3 330.476 1.750 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H](NCc3cccnc3)C(C)(C)C2)C1 ZINC000996522040 702857557 /nfs/dbraw/zinc/85/75/57/702857557.db2.gz XLJDTTQYEVXIQN-WBVHZDCISA-N 1 3 330.476 1.750 20 0 EDADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(NCc2nccs2)CC1 ZINC000996562101 702876199 /nfs/dbraw/zinc/87/61/99/702876199.db2.gz SJLQZWOXIMXMNG-HNNXBMFYSA-N 1 3 334.489 1.566 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996665685 702968143 /nfs/dbraw/zinc/96/81/43/702968143.db2.gz OQUAFGYBSZZNLB-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)N(C)C ZINC000996710883 703005359 /nfs/dbraw/zinc/00/53/59/703005359.db2.gz GQFAYDLDQVTNJA-QGZVFWFLSA-N 1 3 333.480 1.250 20 0 EDADHO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000996723480 703018581 /nfs/dbraw/zinc/01/85/81/703018581.db2.gz NHIVDDKNDYYBLQ-KRWDZBQOSA-N 1 3 331.464 1.350 20 0 EDADHO Cc1cnc(CNC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC000996945938 703214775 /nfs/dbraw/zinc/21/47/75/703214775.db2.gz LELUEBZHHSPEOQ-UHFFFAOYSA-N 1 3 336.505 1.874 20 0 EDADHO Cc1ncsc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997006341 703263561 /nfs/dbraw/zinc/26/35/61/703263561.db2.gz KZCMIBBKDAHSGB-ZDUSSCGKSA-N 1 3 336.505 1.874 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997006565 703263827 /nfs/dbraw/zinc/26/38/27/703263827.db2.gz MVPRMMKZCIHABL-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO Cn1ccnc1CNC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997006565 703263828 /nfs/dbraw/zinc/26/38/28/703263828.db2.gz MVPRMMKZCIHABL-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008503 703266428 /nfs/dbraw/zinc/26/64/28/703266428.db2.gz MXOZRZGREDDAJR-KBXCAEBGSA-N 1 3 345.491 1.108 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC(NCc2cc3n(n2)CCC3)CC1 ZINC000997008503 703266430 /nfs/dbraw/zinc/26/64/30/703266430.db2.gz MXOZRZGREDDAJR-KBXCAEBGSA-N 1 3 345.491 1.108 20 0 EDADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC000997116315 703370089 /nfs/dbraw/zinc/37/00/89/703370089.db2.gz WCMISUFIGXJKCP-PXNSSMCTSA-N 1 3 349.519 1.726 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)CC[N@@H+]1C ZINC001032411722 703447411 /nfs/dbraw/zinc/44/74/11/703447411.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCOCC2)CC[N@H+]1C ZINC001032411722 703447412 /nfs/dbraw/zinc/44/74/12/703447412.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 1 3 335.492 1.428 20 0 EDADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)C1 ZINC000997299029 703556648 /nfs/dbraw/zinc/55/66/48/703556648.db2.gz MMNDWVPLCIATLY-ZDUSSCGKSA-N 1 3 337.414 1.997 20 0 EDADHO C[N@H+]1CC[C@H](C(=O)N2CCC(NCc3c(F)cccc3F)CC2)C1 ZINC000997299029 703556650 /nfs/dbraw/zinc/55/66/50/703556650.db2.gz MMNDWVPLCIATLY-ZDUSSCGKSA-N 1 3 337.414 1.997 20 0 EDADHO CN(C)c1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000997307524 703565823 /nfs/dbraw/zinc/56/58/23/703565823.db2.gz TZZMXYLCJCRTOT-UHFFFAOYSA-N 1 3 345.491 1.324 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471636 703687164 /nfs/dbraw/zinc/68/71/64/703687164.db2.gz CNEHPIBHVPIUHX-BZSNNMDCSA-N 1 3 347.503 1.574 20 0 EDADHO CC(C)C[C@H]1CN(C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610574 704144533 /nfs/dbraw/zinc/14/45/33/704144533.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@H]1CN(C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000922610574 704144534 /nfs/dbraw/zinc/14/45/34/704144534.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@H]1CN(C)CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000922610574 704144535 /nfs/dbraw/zinc/14/45/35/704144535.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610574 704144536 /nfs/dbraw/zinc/14/45/36/704144536.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)NCCN1CCCOCC1 ZINC000922610574 704144537 /nfs/dbraw/zinc/14/45/37/704144537.db2.gz UGKBQOUXMGNVOI-INIZCTEOSA-N 1 3 326.485 1.080 20 0 EDADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294622 /nfs/dbraw/zinc/29/46/22/704294622.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294625 /nfs/dbraw/zinc/29/46/25/704294625.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 1 3 349.519 1.820 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311360 /nfs/dbraw/zinc/31/13/60/704311360.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 1 3 347.503 1.430 20 0 EDADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311361 /nfs/dbraw/zinc/31/13/61/704311361.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 1 3 347.503 1.430 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997819851 704741041 /nfs/dbraw/zinc/74/10/41/704741041.db2.gz DXHVWAFZKWCJOG-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNCc2ccn(C)n2)CC1 ZINC000997819851 704741042 /nfs/dbraw/zinc/74/10/42/704741042.db2.gz DXHVWAFZKWCJOG-GOSISDBHSA-N 1 3 347.507 1.623 20 0 EDADHO CCn1nncc1C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000997822282 704742007 /nfs/dbraw/zinc/74/20/07/704742007.db2.gz ACVBJDLKZXBLTE-UHFFFAOYSA-N 1 3 348.495 1.111 20 0 EDADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)N(C)C ZINC000997856308 704764861 /nfs/dbraw/zinc/76/48/61/704764861.db2.gz TUVVFFSFHJVZQQ-DLBZAZTESA-N 1 3 325.497 1.581 20 0 EDADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930682 705036498 /nfs/dbraw/zinc/03/64/98/705036498.db2.gz OJAFGUPUPCDXTK-QPIRBTGLSA-N 1 3 347.503 1.478 20 0 EDADHO Cc1ncc(C[NH2+]CC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cn1 ZINC000998082044 705308714 /nfs/dbraw/zinc/30/87/14/705308714.db2.gz NHHDYLKQFYRJOK-HNNXBMFYSA-N 1 3 345.491 1.455 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082215 705309354 /nfs/dbraw/zinc/30/93/54/705309354.db2.gz OPEKDOMBKBYXRX-AWEZNQCLSA-N 1 3 336.505 1.956 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084097 705314634 /nfs/dbraw/zinc/31/46/34/705314634.db2.gz ZOCRSUWKQSHQBT-CABCVRRESA-N 1 3 348.495 1.189 20 0 EDADHO C[C@H](NCC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084097 705314637 /nfs/dbraw/zinc/31/46/37/705314637.db2.gz ZOCRSUWKQSHQBT-CABCVRRESA-N 1 3 348.495 1.189 20 0 EDADHO Cc1cncc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998113725 705364050 /nfs/dbraw/zinc/36/40/50/705364050.db2.gz ARPNGXXAYAWGJP-UHFFFAOYSA-N 1 3 327.432 1.684 20 0 EDADHO C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)CCO1 ZINC000998271650 705651358 /nfs/dbraw/zinc/65/13/58/705651358.db2.gz ANHZLLSTISLACB-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998288962 705689371 /nfs/dbraw/zinc/68/93/71/705689371.db2.gz YRXRQBSHYQHYJE-SFHVURJKSA-N 1 3 347.507 1.623 20 0 EDADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC(NCc2ccc(F)cn2)C1 ZINC000998781809 706222987 /nfs/dbraw/zinc/22/29/87/706222987.db2.gz XGIWPFZQMTWZNA-DAWZGUTISA-N 1 3 346.450 1.642 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999398897 706893222 /nfs/dbraw/zinc/89/32/22/706893222.db2.gz AXZIASVLQOYULN-OOHWJJMZSA-N 1 3 346.475 1.654 20 0 EDADHO COc1cccc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC000999398897 706893225 /nfs/dbraw/zinc/89/32/25/706893225.db2.gz AXZIASVLQOYULN-OOHWJJMZSA-N 1 3 346.475 1.654 20 0 EDADHO Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)n1 ZINC000999407102 706916533 /nfs/dbraw/zinc/91/65/33/706916533.db2.gz DECSMZJXYRMOST-RWBZWWBESA-N 1 3 347.507 1.421 20 0 EDADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999407856 706917792 /nfs/dbraw/zinc/91/77/92/706917792.db2.gz HJPPIUUQIHIDJW-GTPINHCMSA-N 1 3 337.508 1.724 20 0 EDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)N(C)C ZINC000999489223 707025424 /nfs/dbraw/zinc/02/54/24/707025424.db2.gz IWEFREXJRGJZOS-IAGOWNOFSA-N 1 3 346.475 1.206 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999832303 707463380 /nfs/dbraw/zinc/46/33/80/707463380.db2.gz CSAKYHBHKHBFRB-UHFFFAOYSA-N 1 3 343.471 1.892 20 0 EDADHO CCn1nncc1CN[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870358 707512734 /nfs/dbraw/zinc/51/27/34/707512734.db2.gz FRFZYXJMKGCALN-OAHLLOKOSA-N 1 3 348.495 1.253 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)c1 ZINC001033685025 708498277 /nfs/dbraw/zinc/49/82/77/708498277.db2.gz RLICTDVRPDGCDF-HKUYNNGSSA-N 1 3 345.487 1.931 20 0 EDADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)c1 ZINC001033685025 708498279 /nfs/dbraw/zinc/49/82/79/708498279.db2.gz RLICTDVRPDGCDF-HKUYNNGSSA-N 1 3 345.487 1.931 20 0 EDADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002127461 708643596 /nfs/dbraw/zinc/64/35/96/708643596.db2.gz ROECLFXALPFKFC-INIZCTEOSA-N 1 3 334.464 1.571 20 0 EDADHO Cc1nc(C)c(CN2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002127461 708643599 /nfs/dbraw/zinc/64/35/99/708643599.db2.gz ROECLFXALPFKFC-INIZCTEOSA-N 1 3 334.464 1.571 20 0 EDADHO CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001005425443 708947018 /nfs/dbraw/zinc/94/70/18/708947018.db2.gz OSQJDWUWNXPKQK-ZWKOTPCHSA-N 1 3 337.508 1.819 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002953740 709653746 /nfs/dbraw/zinc/65/37/46/709653746.db2.gz BZARBVDZTKIKSP-GOSISDBHSA-N 1 3 337.508 1.868 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001002956080 709658608 /nfs/dbraw/zinc/65/86/08/709658608.db2.gz PUZOBDLETUWKCO-IAGOWNOFSA-N 1 3 325.497 1.866 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659663 710588862 /nfs/dbraw/zinc/58/88/62/710588862.db2.gz WWBDWUHAWGRBCP-VGWMRTNUSA-N 1 3 338.496 1.142 20 0 EDADHO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001034693221 710783535 /nfs/dbraw/zinc/78/35/35/710783535.db2.gz CLDDFSDDVSUGQW-VIYSVWJJSA-N 1 3 347.503 1.667 20 0 EDADHO Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001034734459 710916353 /nfs/dbraw/zinc/91/63/53/710916353.db2.gz OWVWQNFPNVSEOV-JQFCIGGWSA-N 1 3 334.464 1.842 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034737569 710950351 /nfs/dbraw/zinc/95/03/51/710950351.db2.gz MUBPCPZGWWTQMI-LUKYLMHMSA-N 1 3 347.507 1.618 20 0 EDADHO CCn1ccnc1CN[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034737569 710950354 /nfs/dbraw/zinc/95/03/54/710950354.db2.gz MUBPCPZGWWTQMI-LUKYLMHMSA-N 1 3 347.507 1.618 20 0 EDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749237 710956368 /nfs/dbraw/zinc/95/63/68/710956368.db2.gz IVZSUBHINOEWGG-VQHPVUNQSA-N 1 3 325.497 1.647 20 0 EDADHO Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034883355 711285802 /nfs/dbraw/zinc/28/58/02/711285802.db2.gz RLYMPIMDSKHCMP-GDBMZVCRSA-N 1 3 336.505 1.935 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)n[nH]1 ZINC001034958793 711432964 /nfs/dbraw/zinc/43/29/64/711432964.db2.gz MBBHTKZJIKTOLJ-JKSUJKDBSA-N 1 3 348.495 1.172 20 0 EDADHO Cc1nc(CNC[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](CC(C)C)C2)n[nH]1 ZINC001034958793 711432965 /nfs/dbraw/zinc/43/29/65/711432965.db2.gz MBBHTKZJIKTOLJ-JKSUJKDBSA-N 1 3 348.495 1.172 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922510221 711639919 /nfs/dbraw/zinc/63/99/19/711639919.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000922510221 711639921 /nfs/dbraw/zinc/63/99/21/711639921.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 1 3 340.512 1.659 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000557600074 306230604 /nfs/dbraw/zinc/23/06/04/306230604.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 1 3 335.500 1.714 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N(C)C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000557600074 306230605 /nfs/dbraw/zinc/23/06/05/306230605.db2.gz TWDLBJGDIPMBGH-ZDUSSCGKSA-N 1 3 335.500 1.714 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000136979171 282109745 /nfs/dbraw/zinc/10/97/45/282109745.db2.gz HBVPUCJEOOFGIW-KRWDZBQOSA-N 1 3 346.475 1.722 20 0 EDADHO C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCCCN1CCO ZINC000455231166 282114463 /nfs/dbraw/zinc/11/44/63/282114463.db2.gz QOKAQQISKAXEMH-KRWDZBQOSA-N 1 3 348.491 1.759 20 0 EDADHO CN(C)CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)C(C)(C)C ZINC000173778336 231031302 /nfs/dbraw/zinc/03/13/02/231031302.db2.gz UCSZHEDDSCLEKA-JKSUJKDBSA-N 1 3 335.496 1.872 20 0 EDADHO COc1cc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)ccn1 ZINC000559894908 306259618 /nfs/dbraw/zinc/25/96/18/306259618.db2.gz NTSFZRQCMHENFP-MRXNPFEDSA-N 1 3 336.480 1.131 20 0 EDADHO C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086242 299164046 /nfs/dbraw/zinc/16/40/46/299164046.db2.gz JHKHGHCFUNLWQD-KKUMJFAQSA-N 1 3 326.485 1.125 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(CF)CCC3)CC2)CC1 ZINC000563039732 306316585 /nfs/dbraw/zinc/31/65/85/306316585.db2.gz ZYAWKZZIAIORHR-UHFFFAOYSA-N 1 3 326.460 1.736 20 0 EDADHO CN(C)CC[NH+]1CCC(CNC(=O)c2cnccc2N(C)C)CC1 ZINC000183633968 235174199 /nfs/dbraw/zinc/17/41/99/235174199.db2.gz GOBFALZWOLCNIS-UHFFFAOYSA-N 1 3 333.480 1.151 20 0 EDADHO CN(C)c1ccncc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000183633968 235174207 /nfs/dbraw/zinc/17/42/07/235174207.db2.gz GOBFALZWOLCNIS-UHFFFAOYSA-N 1 3 333.480 1.151 20 0 EDADHO O=C(N[C@H]1CNCCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418752885 295910015 /nfs/dbraw/zinc/91/00/15/295910015.db2.gz UQLNWZVYQIQIBY-KGLIPLIRSA-N 1 3 330.423 1.644 20 0 EDADHO Cc1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)n(C2CCN(C)CC2)n1 ZINC000563464849 306334868 /nfs/dbraw/zinc/33/48/68/306334868.db2.gz JQSBPDZKLLDJPI-HNNXBMFYSA-N 1 3 348.495 1.968 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000077622387 138253577 /nfs/dbraw/zinc/25/35/77/138253577.db2.gz QDSSFBWYNMKZBV-RDJZCZTQSA-N 1 3 338.496 1.223 20 0 EDADHO NC(=O)C[C@@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000339137991 283291821 /nfs/dbraw/zinc/29/18/21/283291821.db2.gz YBKKOWSJJBNHTL-DKLOGILVSA-N 1 3 336.480 1.002 20 0 EDADHO NC(=O)C[C@@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137991 283291828 /nfs/dbraw/zinc/29/18/28/283291828.db2.gz YBKKOWSJJBNHTL-DKLOGILVSA-N 1 3 336.480 1.002 20 0 EDADHO CCN1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000413842707 304080214 /nfs/dbraw/zinc/08/02/14/304080214.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 1 3 349.523 1.033 20 0 EDADHO CCN1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000413842707 304080215 /nfs/dbraw/zinc/08/02/15/304080215.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 1 3 349.523 1.033 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000564785302 306364629 /nfs/dbraw/zinc/36/46/29/306364629.db2.gz VXGHIPQWICFPQR-HNNXBMFYSA-N 1 3 330.432 1.041 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987655 304093147 /nfs/dbraw/zinc/09/31/47/304093147.db2.gz YBLCYMLAPWLXAB-FUHWJXTLSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000413987655 304093148 /nfs/dbraw/zinc/09/31/48/304093148.db2.gz YBLCYMLAPWLXAB-FUHWJXTLSA-N 1 3 345.487 1.327 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000566066474 306397517 /nfs/dbraw/zinc/39/75/17/306397517.db2.gz UQIASTOKEDTJGF-MJGOQNOKSA-N 1 3 344.503 1.261 20 0 EDADHO CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414484114 304118517 /nfs/dbraw/zinc/11/85/17/304118517.db2.gz NRBQAKMSBRJCMI-UHFFFAOYSA-N 1 3 347.503 1.972 20 0 EDADHO CC(C)CCOC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000414711498 304131184 /nfs/dbraw/zinc/13/11/84/304131184.db2.gz UDFGUEBYIBQVRJ-INIZCTEOSA-N 1 3 325.497 1.711 20 0 EDADHO CCc1ccc([C@H]2C[NH2+]CCN2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414731679 304134290 /nfs/dbraw/zinc/13/42/90/304134290.db2.gz HRSWKDRQRZUQGD-IEBWSBKVSA-N 1 3 344.503 1.393 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000414762997 304138206 /nfs/dbraw/zinc/13/82/06/304138206.db2.gz WVYDXVNAJWBJER-PXNSSMCTSA-N 1 3 345.487 1.210 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000414762997 304138207 /nfs/dbraw/zinc/13/82/07/304138207.db2.gz WVYDXVNAJWBJER-PXNSSMCTSA-N 1 3 345.487 1.210 20 0 EDADHO CCN1CCN(c2ccccc2CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000415100225 304160034 /nfs/dbraw/zinc/16/00/34/304160034.db2.gz ALZIDRQGJOAEGE-GOSISDBHSA-N 1 3 332.492 1.378 20 0 EDADHO CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000195154549 139008207 /nfs/dbraw/zinc/00/82/07/139008207.db2.gz LCLBNWLIQIGLEC-SFHVURJKSA-N 1 3 344.503 1.440 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000415138076 304163473 /nfs/dbraw/zinc/16/34/73/304163473.db2.gz GKYUEXVDVVFYPO-WMLDXEAASA-N 1 3 344.459 1.430 20 0 EDADHO CCN1CCC(n2nccc2NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236831553 139032980 /nfs/dbraw/zinc/03/29/80/139032980.db2.gz WLAOTFIBJGBQHV-OAHLLOKOSA-N 1 3 331.464 1.868 20 0 EDADHO C[C@@]1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000237578343 139054703 /nfs/dbraw/zinc/05/47/03/139054703.db2.gz XHTRDPVADDNSIM-HXUWFJFHSA-N 1 3 344.503 1.705 20 0 EDADHO O=C(CC1CC[NH2+]CC1)NCC1(N2CCSCC2)CCCC1 ZINC000238135140 139069476 /nfs/dbraw/zinc/06/94/76/139069476.db2.gz NVSSCZWCQAXXPC-UHFFFAOYSA-N 1 3 325.522 1.854 20 0 EDADHO C[C@@H]1OCC[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949707 139090969 /nfs/dbraw/zinc/09/09/69/139090969.db2.gz OZBBZWBIDUWTOD-QGTPRVQTSA-N 1 3 331.460 1.651 20 0 EDADHO C[C@@H]1OCC[C@@H]1NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949707 139090970 /nfs/dbraw/zinc/09/09/70/139090970.db2.gz OZBBZWBIDUWTOD-QGTPRVQTSA-N 1 3 331.460 1.651 20 0 EDADHO CN1CC[NH+](CC2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)CC1 ZINC000567911243 306466374 /nfs/dbraw/zinc/46/63/74/306466374.db2.gz RUGIAOYBFTXGEQ-IBGZPJMESA-N 1 3 344.503 1.042 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000415311645 304191627 /nfs/dbraw/zinc/19/16/27/304191627.db2.gz BIQIOXYVAASJCR-MRXNPFEDSA-N 1 3 332.448 1.287 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000415372750 304207183 /nfs/dbraw/zinc/20/71/83/304207183.db2.gz HYKSGFHMCRMVBH-KRWDZBQOSA-N 1 3 346.475 1.677 20 0 EDADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247375800 139146503 /nfs/dbraw/zinc/14/65/03/139146503.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO COc1ccccc1COC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247375800 139146504 /nfs/dbraw/zinc/14/65/04/139146504.db2.gz SQFPZYBOOAVIEQ-CGTJXYLNSA-N 1 3 336.476 1.987 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261603872 139209983 /nfs/dbraw/zinc/20/99/83/139209983.db2.gz AIRMUCJEGRNWHB-HPBDAGMYSA-N 1 3 331.460 1.520 20 0 EDADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262044847 139246247 /nfs/dbraw/zinc/24/62/47/139246247.db2.gz YYUSSUMHCPFQFT-XUVXKRRUSA-N 1 3 347.503 1.874 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1CN(C)C ZINC000415775862 251025502 /nfs/dbraw/zinc/02/55/02/251025502.db2.gz HJLQVWWECSEFEY-NVXWUHKLSA-N 1 3 344.459 1.206 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088491 251140653 /nfs/dbraw/zinc/14/06/53/251140653.db2.gz HHBZKBJZUSUNNO-SJORKVTESA-N 1 3 340.512 1.518 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417203192 251146681 /nfs/dbraw/zinc/14/66/81/251146681.db2.gz YLHANDYQNHQAKI-BZSNNMDCSA-N 1 3 330.476 1.410 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000417318144 251157590 /nfs/dbraw/zinc/15/75/90/251157590.db2.gz YAYKDZFBJUHPDK-SQNIBIBYSA-N 1 3 330.476 1.849 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559720 251186634 /nfs/dbraw/zinc/18/66/34/251186634.db2.gz AFOMSDQVEIENBZ-SFHVURJKSA-N 1 3 348.491 1.310 20 0 EDADHO C[C@@H](CC[NH3+])NC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000417585480 251198578 /nfs/dbraw/zinc/19/85/78/251198578.db2.gz QBJAKLCTZTYLHG-HNNXBMFYSA-N 1 3 340.512 1.837 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417651511 251214331 /nfs/dbraw/zinc/21/43/31/251214331.db2.gz NKCIUPVTBJTIGD-WMZOPIPTSA-N 1 3 330.476 1.950 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417627525 251208896 /nfs/dbraw/zinc/20/88/96/251208896.db2.gz PRBJLQMDZQDCGY-AWEZNQCLSA-N 1 3 328.526 1.775 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000417693960 251230831 /nfs/dbraw/zinc/23/08/31/251230831.db2.gz RGQXREROEHMTGM-UWWQBHOKSA-N 1 3 346.475 1.092 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417814097 251281216 /nfs/dbraw/zinc/28/12/16/251281216.db2.gz RPJDKWHIUUIAAN-HZPDHXFCSA-N 1 3 340.512 1.693 20 0 EDADHO [NH3+]C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)C1CC1 ZINC000418078525 251321235 /nfs/dbraw/zinc/32/12/35/251321235.db2.gz WJEBDBMTCXXUNV-MSOLQXFVSA-N 1 3 346.475 1.314 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262716408 139298504 /nfs/dbraw/zinc/29/85/04/139298504.db2.gz VTTWPTHPDWQAPD-ZBFHGGJFSA-N 1 3 332.448 1.450 20 0 EDADHO CCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262716408 139298505 /nfs/dbraw/zinc/29/85/05/139298505.db2.gz VTTWPTHPDWQAPD-ZBFHGGJFSA-N 1 3 332.448 1.450 20 0 EDADHO O=C(NC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415591075 304234339 /nfs/dbraw/zinc/23/43/39/304234339.db2.gz RVPBQBVMZVQAIE-MRXNPFEDSA-N 1 3 344.459 1.337 20 0 EDADHO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1CN(C)C ZINC000415594410 304235122 /nfs/dbraw/zinc/23/51/22/304235122.db2.gz KQYBLTPOCNVCPY-UAGQMJEPSA-N 1 3 344.459 1.191 20 0 EDADHO C[C@]1(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3N)cc2)NC(=O)NC1=O ZINC000422874699 252007577 /nfs/dbraw/zinc/00/75/77/252007577.db2.gz AOSGVOSFWYAIEK-RVKKMQEKSA-N 1 3 330.432 1.491 20 0 EDADHO Cc1ccccc1[C@H](CN1CCOCC1)NCCCN1CC[NH2+]CC1 ZINC000423178157 252042374 /nfs/dbraw/zinc/04/23/74/252042374.db2.gz KJZWPMTXSOFXHN-FQEVSTJZSA-N 1 3 346.519 1.253 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423773604 252069285 /nfs/dbraw/zinc/06/92/85/252069285.db2.gz JVUFSVXDGGLGIV-JQHSSLGASA-N 1 3 331.460 1.616 20 0 EDADHO C[C@@H](NCc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422912520 252019618 /nfs/dbraw/zinc/01/96/18/252019618.db2.gz WLYPHFBKTHBRHH-CRAIPNDOSA-N 1 3 332.492 1.598 20 0 EDADHO COCCN1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424151714 252145112 /nfs/dbraw/zinc/14/51/12/252145112.db2.gz HSYILLMLIWULEQ-IAGOWNOFSA-N 1 3 325.497 1.901 20 0 EDADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424228994 252173331 /nfs/dbraw/zinc/17/33/31/252173331.db2.gz VPEZTDIXSJYOHY-DLBZAZTESA-N 1 3 327.432 1.049 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000424464082 252239009 /nfs/dbraw/zinc/23/90/09/252239009.db2.gz IMVJPNJMEMGNNA-CZUORRHYSA-N 1 3 330.432 1.087 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)c1 ZINC000424444021 252232709 /nfs/dbraw/zinc/23/27/09/252232709.db2.gz YVCCWJHPDGQXOH-UHFFFAOYSA-N 1 3 346.475 1.773 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424471527 252242605 /nfs/dbraw/zinc/24/26/05/252242605.db2.gz DBPYHGWZKZABPD-RYQLBKOJSA-N 1 3 330.476 1.758 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000424448559 252236498 /nfs/dbraw/zinc/23/64/98/252236498.db2.gz PIQRQQVTUNWMSF-INIZCTEOSA-N 1 3 332.448 1.333 20 0 EDADHO O=S(=O)(NCCN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339352 285040226 /nfs/dbraw/zinc/04/02/26/285040226.db2.gz YNAPZDCPLPOUSI-HOTGVXAUSA-N 1 3 337.489 1.286 20 0 EDADHO CC(C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)C(F)(F)F ZINC000428527214 254507030 /nfs/dbraw/zinc/50/70/30/254507030.db2.gz WUVXFWUBJQEOSQ-QMMMGPOBSA-N 1 3 339.339 1.061 20 0 EDADHO O=C1O[C@]2(CN1CN1CC[C@@H](C[NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000496007080 255340585 /nfs/dbraw/zinc/34/05/85/255340585.db2.gz ACKVXMKJJNJPJK-LPHOPBHVSA-N 1 3 348.491 1.278 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H](C)OC ZINC000341088771 285277353 /nfs/dbraw/zinc/27/73/53/285277353.db2.gz QXUGVXMJCRHANK-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC[C@@H](C)OC ZINC000341088771 285277355 /nfs/dbraw/zinc/27/73/55/285277355.db2.gz QXUGVXMJCRHANK-CVEARBPZSA-N 1 3 328.501 1.469 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccoc1C(=O)OC ZINC000349065478 285282474 /nfs/dbraw/zinc/28/24/74/285282474.db2.gz ZXJXDOXEOGRGPD-INIZCTEOSA-N 1 3 337.464 1.914 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccoc1C(=O)OC ZINC000349065478 285282475 /nfs/dbraw/zinc/28/24/75/285282475.db2.gz ZXJXDOXEOGRGPD-INIZCTEOSA-N 1 3 337.464 1.914 20 0 EDADHO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3)c2)C[C@H]1[NH3+] ZINC000415836732 304279853 /nfs/dbraw/zinc/27/98/53/304279853.db2.gz XVWYZPJAKFDJEB-WMLDXEAASA-N 1 3 344.459 1.417 20 0 EDADHO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccc(OCCN(C)C)cc1 ZINC000154896876 533497912 /nfs/dbraw/zinc/49/79/12/533497912.db2.gz MXIWUBGMUMOJLD-ZWKOTPCHSA-N 1 3 348.535 1.914 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000271993426 140384376 /nfs/dbraw/zinc/38/43/76/140384376.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO COCCN1CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000271993426 140384377 /nfs/dbraw/zinc/38/43/77/140384377.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 1 3 348.491 1.527 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272042070 140391623 /nfs/dbraw/zinc/39/16/23/140391623.db2.gz YEXLRLJXJBHGJG-MSOLQXFVSA-N 1 3 331.460 1.035 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnn1CC(F)(F)F ZINC000572470711 306589898 /nfs/dbraw/zinc/58/98/98/306589898.db2.gz XKYNZAKYJOSUKD-UHFFFAOYSA-N 1 3 335.374 1.011 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CN4CCN3CCC4)C2)CC1 ZINC000343358568 142835596 /nfs/dbraw/zinc/83/55/96/142835596.db2.gz DHCHANUSTHSOBM-RBUKOAKNSA-N 1 3 348.535 1.347 20 0 EDADHO C[C@@H]1[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000345328942 143078681 /nfs/dbraw/zinc/07/86/81/143078681.db2.gz UZNXNUPLXYHXDY-IEBWSBKVSA-N 1 3 344.503 1.798 20 0 EDADHO C[C@@H]1[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)CCC[N@H+]1C ZINC000345328942 143078682 /nfs/dbraw/zinc/07/86/82/143078682.db2.gz UZNXNUPLXYHXDY-IEBWSBKVSA-N 1 3 344.503 1.798 20 0 EDADHO N[C@H](CC(F)F)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000345834494 143138209 /nfs/dbraw/zinc/13/82/09/143138209.db2.gz ZDOBXXGCANZMJV-OAHLLOKOSA-N 1 3 325.403 1.997 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)N(C)C1 ZINC000346007922 143156844 /nfs/dbraw/zinc/15/68/44/143156844.db2.gz IHDBEOWTAUGLIA-QZTJIDSGSA-N 1 3 348.491 1.609 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1COCCN1C ZINC000347014542 143271611 /nfs/dbraw/zinc/27/16/11/143271611.db2.gz OJPOEXJGJCLXMS-QZTJIDSGSA-N 1 3 346.475 1.225 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1COCCN1C ZINC000347014542 143271612 /nfs/dbraw/zinc/27/16/12/143271612.db2.gz OJPOEXJGJCLXMS-QZTJIDSGSA-N 1 3 346.475 1.225 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000416897334 304354284 /nfs/dbraw/zinc/35/42/84/304354284.db2.gz XNFYYVOYMWNACS-AWEZNQCLSA-N 1 3 326.391 1.545 20 0 EDADHO CSc1ccc(C[NH2+]CCCCN2CCN(CCO)CC2)s1 ZINC000352844721 149188215 /nfs/dbraw/zinc/18/82/15/149188215.db2.gz QQPUEUPKAWHQQB-UHFFFAOYSA-N 1 3 343.562 1.950 20 0 EDADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352923132 149216868 /nfs/dbraw/zinc/21/68/68/149216868.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 1 3 334.508 1.286 20 0 EDADHO CN(CC(=O)NC1CCN(C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923132 149216872 /nfs/dbraw/zinc/21/68/72/149216872.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 1 3 334.508 1.286 20 0 EDADHO CCCN(C(=O)NCc1ccc(OCCN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416968730 304356852 /nfs/dbraw/zinc/35/68/52/304356852.db2.gz JQKWYXDKHUDETM-QGZVFWFLSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCCN(C)C)cc1 ZINC000416973788 304358764 /nfs/dbraw/zinc/35/87/64/304358764.db2.gz VQTVEVVZNAKBKK-GDBMZVCRSA-N 1 3 334.464 1.506 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCc2cccc(OCCN(C)C)c2)C1 ZINC000416976760 304359226 /nfs/dbraw/zinc/35/92/26/304359226.db2.gz RXCXEAGQQVWXOO-KRWDZBQOSA-N 1 3 348.491 1.768 20 0 EDADHO C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000416981291 304360699 /nfs/dbraw/zinc/36/06/99/304360699.db2.gz ZWBBUUKLUZUWTH-DOTOQJQBSA-N 1 3 348.491 1.814 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000355333688 150220959 /nfs/dbraw/zinc/22/09/59/150220959.db2.gz CKBHLRMKVYUNOA-AEFFLSMTSA-N 1 3 348.491 1.527 20 0 EDADHO CN1CCN(CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000417031462 304362999 /nfs/dbraw/zinc/36/29/99/304362999.db2.gz XLMLIYXBWVEIFL-MSOLQXFVSA-N 1 3 345.491 1.026 20 0 EDADHO COCC1(CNC(=O)N2CCN(C3CC3)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000333671055 292238634 /nfs/dbraw/zinc/23/86/34/292238634.db2.gz NBXQCIAKDYRECW-OAHLLOKOSA-N 1 3 338.496 1.128 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357922786 151198017 /nfs/dbraw/zinc/19/80/17/151198017.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 1 3 327.517 1.040 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000357922786 151198021 /nfs/dbraw/zinc/19/80/21/151198021.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 1 3 327.517 1.040 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000358050267 151247527 /nfs/dbraw/zinc/24/75/27/151247527.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000358050267 151247528 /nfs/dbraw/zinc/24/75/28/151247528.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358142922 151286875 /nfs/dbraw/zinc/28/68/75/151286875.db2.gz RWKRXFCJIPOYER-OAHLLOKOSA-N 1 3 349.479 1.651 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000358142922 151286877 /nfs/dbraw/zinc/28/68/77/151286877.db2.gz RWKRXFCJIPOYER-OAHLLOKOSA-N 1 3 349.479 1.651 20 0 EDADHO COc1cc2c(cc1OC)CN(CCN[C@@H](C)[C@H]1CC[NH2+]C1)CC2 ZINC000422771919 286259042 /nfs/dbraw/zinc/25/90/42/286259042.db2.gz WHTRXHOOIDQANR-HOCLYGCPSA-N 1 3 333.476 1.650 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000360396002 152020081 /nfs/dbraw/zinc/02/00/81/152020081.db2.gz KTCVBHULQJRQIL-FMKPAKJESA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCSC1 ZINC000360396002 152020085 /nfs/dbraw/zinc/02/00/85/152020085.db2.gz KTCVBHULQJRQIL-FMKPAKJESA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCSC1 ZINC000360396004 152020590 /nfs/dbraw/zinc/02/05/90/152020590.db2.gz KTCVBHULQJRQIL-YCPHGPKFSA-N 1 3 326.510 1.350 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCSC1 ZINC000360396004 152020591 /nfs/dbraw/zinc/02/05/91/152020591.db2.gz KTCVBHULQJRQIL-YCPHGPKFSA-N 1 3 326.510 1.350 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000363784301 153055457 /nfs/dbraw/zinc/05/54/57/153055457.db2.gz MVTOHYFNVKNPFG-GDBMZVCRSA-N 1 3 335.496 1.385 20 0 EDADHO N[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000364196791 153170705 /nfs/dbraw/zinc/17/07/05/153170705.db2.gz RMQAKGKFTDRQMC-URWWGJIRSA-N 1 3 331.435 2.000 20 0 EDADHO C[C@H](NC(=O)N[C@H](Cc1ccccc1)CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000417193721 304383077 /nfs/dbraw/zinc/38/30/77/304383077.db2.gz LUQGWQZPGZWWGE-RYQLBKOJSA-N 1 3 332.492 1.847 20 0 EDADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000364848549 153351422 /nfs/dbraw/zinc/35/14/22/153351422.db2.gz ANFIOJJZSKCSNK-MOPGFXCFSA-N 1 3 344.503 1.183 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624524 154203616 /nfs/dbraw/zinc/20/36/16/154203616.db2.gz VXUOWNPLMWRGQT-QFBILLFUSA-N 1 3 335.467 1.819 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@@H+](CC)C[C@@H]3C)C2)no1 ZINC000367703460 154235194 /nfs/dbraw/zinc/23/51/94/154235194.db2.gz YNAGIBYYHSXCLX-JYJNAYRXSA-N 1 3 335.496 1.916 20 0 EDADHO CCc1nc(CN2CCC[C@H](N[C@H]3CC[N@H+](CC)C[C@@H]3C)C2)no1 ZINC000367703460 154235199 /nfs/dbraw/zinc/23/51/99/154235199.db2.gz YNAGIBYYHSXCLX-JYJNAYRXSA-N 1 3 335.496 1.916 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417374290 304395055 /nfs/dbraw/zinc/39/50/55/304395055.db2.gz ZFHFDROTAMYBHE-CYBMUJFWSA-N 1 3 344.406 1.409 20 0 EDADHO C[N@H+](CCCOC(=O)N=C(N)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778989 157397102 /nfs/dbraw/zinc/39/71/02/157397102.db2.gz KBVZMFFFHVLBHS-UHFFFAOYSA-N 1 3 349.435 1.425 20 0 EDADHO C[N@@H+](CCCOC(=O)N=C(N)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778989 157397104 /nfs/dbraw/zinc/39/71/04/157397104.db2.gz KBVZMFFFHVLBHS-UHFFFAOYSA-N 1 3 349.435 1.425 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953603 158038277 /nfs/dbraw/zinc/03/82/77/158038277.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 1 3 342.503 1.295 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377953603 158038278 /nfs/dbraw/zinc/03/82/78/158038278.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 1 3 342.503 1.295 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417548429 304426856 /nfs/dbraw/zinc/42/68/56/304426856.db2.gz QSWHZPPXMWFQPG-AWEZNQCLSA-N 1 3 328.501 1.548 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417548440 304426863 /nfs/dbraw/zinc/42/68/63/304426863.db2.gz QSWHZPPXMWFQPG-CQSZACIVSA-N 1 3 328.501 1.548 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352208401 162050753 /nfs/dbraw/zinc/05/07/53/162050753.db2.gz NGOHWHSKOCREEV-JKSUJKDBSA-N 1 3 326.485 1.080 20 0 EDADHO Cc1cccc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000051777772 287221846 /nfs/dbraw/zinc/22/18/46/287221846.db2.gz UMZOZRQUCSMEJT-UHFFFAOYSA-N 1 3 345.491 1.748 20 0 EDADHO CCC[NH2+]CCNC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418464818 304498344 /nfs/dbraw/zinc/49/83/44/304498344.db2.gz BTYLJGGGTVOCLK-HOTGVXAUSA-N 1 3 340.512 1.517 20 0 EDADHO CN(CC[N@H+](C)C1CC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000274621383 268170345 /nfs/dbraw/zinc/17/03/45/268170345.db2.gz ZNPGKPYYSLERRK-UHFFFAOYSA-N 1 3 344.503 1.751 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000274621383 268170348 /nfs/dbraw/zinc/17/03/48/268170348.db2.gz ZNPGKPYYSLERRK-UHFFFAOYSA-N 1 3 344.503 1.751 20 0 EDADHO CC(=O)Nc1ccc(CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000103212218 272918734 /nfs/dbraw/zinc/91/87/34/272918734.db2.gz MBBJVPNJFZMZRL-UHFFFAOYSA-N 1 3 334.464 1.139 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280792063 273399028 /nfs/dbraw/zinc/39/90/28/273399028.db2.gz JRJVTLWEZNUZBU-VQIMIIECSA-N 1 3 331.460 1.633 20 0 EDADHO COCCN(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219503 /nfs/dbraw/zinc/21/95/03/274219503.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 1 3 333.476 1.449 20 0 EDADHO COCCN(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219504 /nfs/dbraw/zinc/21/95/04/274219504.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 1 3 333.476 1.449 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC(=O)N1CCOCC1 ZINC000360967606 276331621 /nfs/dbraw/zinc/33/16/21/276331621.db2.gz BJAPKUNIIWAKFL-DLBZAZTESA-N 1 3 325.497 1.726 20 0 EDADHO CN1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561034 277166840 /nfs/dbraw/zinc/16/68/40/277166840.db2.gz SXOXFTLNQKFXJY-IRXDYDNUSA-N 1 3 346.475 1.188 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660023 452774886 /nfs/dbraw/zinc/77/48/86/452774886.db2.gz OLHLSRWIFUBLRV-OWCLPIDISA-N 1 3 326.485 1.079 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CC1 ZINC000305174194 277582303 /nfs/dbraw/zinc/58/23/03/277582303.db2.gz QLPCIHKBXRBSGD-QGZVFWFLSA-N 1 3 325.497 1.316 20 0 EDADHO C[C@@H](CNC(=O)[C@@H]1CCCN1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015796 278279725 /nfs/dbraw/zinc/27/97/25/278279725.db2.gz HMALNZFTQXDEMM-WMZOPIPTSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363367102 279127713 /nfs/dbraw/zinc/12/77/13/279127713.db2.gz BQTNRKJUPPPFCJ-OWCLPIDISA-N 1 3 326.485 1.125 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271240 /nfs/dbraw/zinc/27/12/40/279271240.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 1 3 334.508 1.987 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271241 /nfs/dbraw/zinc/27/12/41/279271241.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 1 3 334.508 1.987 20 0 EDADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289420 279342798 /nfs/dbraw/zinc/34/27/98/279342798.db2.gz YVFSLOREDLRVJR-INIZCTEOSA-N 1 3 325.497 1.819 20 0 EDADHO CCN1CCN(c2ccccc2CN[C@H](CC[NH3+])C(F)F)CC1 ZINC000414987765 279375510 /nfs/dbraw/zinc/37/55/10/279375510.db2.gz JYMBOLGCJWNWFR-OAHLLOKOSA-N 1 3 326.435 1.901 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000289822606 288785759 /nfs/dbraw/zinc/78/57/59/288785759.db2.gz CYGXJKCRUSEXDY-OALUTQOASA-N 1 3 344.503 1.935 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)c2ccccc2O1 ZINC000369161273 289201204 /nfs/dbraw/zinc/20/12/04/289201204.db2.gz DTHVYFDUHCZSKK-GFCCVEGCSA-N 1 3 346.456 1.614 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)C2)CC1 ZINC000361998626 289883716 /nfs/dbraw/zinc/88/37/16/289883716.db2.gz SUVOWGMPHFYWBG-BHYGNILZSA-N 1 3 343.537 1.100 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333948747 297106293 /nfs/dbraw/zinc/10/62/93/297106293.db2.gz WPQPNBTWUWBQCF-CABCVRRESA-N 1 3 340.537 1.645 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000418537163 304509349 /nfs/dbraw/zinc/50/93/49/304509349.db2.gz JMTJDWFDKZVFIP-MJGOQNOKSA-N 1 3 348.491 1.987 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418536967 304509505 /nfs/dbraw/zinc/50/95/05/304509505.db2.gz HSHXICMNWLSKQL-UHFFFAOYSA-N 1 3 346.475 1.688 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418599209 304516880 /nfs/dbraw/zinc/51/68/80/304516880.db2.gz ZFPAKFANIZZZLE-ZOBUZTSGSA-N 1 3 334.464 1.867 20 0 EDADHO C[C@H](NC(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639160 304647665 /nfs/dbraw/zinc/64/76/65/304647665.db2.gz CDGSLKCRDNPOHW-HOCLYGCPSA-N 1 3 346.475 1.100 20 0 EDADHO CCCC[C@@H](CN)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419706176 304667774 /nfs/dbraw/zinc/66/77/74/304667774.db2.gz CBPNGMZMGCQWEJ-GJZGRUSLSA-N 1 3 326.485 1.001 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000664571537 453205906 /nfs/dbraw/zinc/20/59/06/453205906.db2.gz CEFNDFGVURBQPV-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000414750632 447321136 /nfs/dbraw/zinc/32/11/36/447321136.db2.gz MFHOONZMCPMJAW-HNNXBMFYSA-N 1 3 334.464 1.437 20 0 EDADHO COc1nccc(CNCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000294971225 303157848 /nfs/dbraw/zinc/15/78/48/303157848.db2.gz GJNSPMQLHZYKDB-UHFFFAOYSA-N 1 3 330.432 1.758 20 0 EDADHO C[C@H](NC1CC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843771 303274657 /nfs/dbraw/zinc/27/46/57/303274657.db2.gz WBIBMKQVUPUKHN-ZDUSSCGKSA-N 1 3 331.464 1.691 20 0 EDADHO COc1ccc(-c2ccncc2)cc1CNCCN1CC[NH2+]CC1 ZINC000414866530 447334601 /nfs/dbraw/zinc/33/46/01/447334601.db2.gz FJRKOSBBCVGOAQ-UHFFFAOYSA-N 1 3 326.444 1.752 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000414880576 447340365 /nfs/dbraw/zinc/34/03/65/447340365.db2.gz QHHOPKQFDLEOLD-MRXNPFEDSA-N 1 3 346.475 1.581 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000414880576 447340372 /nfs/dbraw/zinc/34/03/72/447340372.db2.gz QHHOPKQFDLEOLD-MRXNPFEDSA-N 1 3 346.475 1.581 20 0 EDADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720168 304879080 /nfs/dbraw/zinc/87/90/80/304879080.db2.gz SCOFBQMUBDZBPF-QZTJIDSGSA-N 1 3 346.523 1.628 20 0 EDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985043 304882057 /nfs/dbraw/zinc/88/20/57/304882057.db2.gz BVCXQRNJGCGSGT-UOVPBQLFSA-N 1 3 330.476 1.301 20 0 EDADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(CO)c1 ZINC000423375061 304893639 /nfs/dbraw/zinc/89/36/39/304893639.db2.gz CSJAFEOFXWLGAF-SWLSCSKDSA-N 1 3 331.382 1.666 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)CC2(N3CCOCC3)CCCC2)C[C@@H]1C[NH3+] ZINC000424067828 304927320 /nfs/dbraw/zinc/92/73/20/304927320.db2.gz HGXYHWFXADCSRP-IKGGRYGDSA-N 1 3 337.508 1.853 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960319 305020966 /nfs/dbraw/zinc/02/09/66/305020966.db2.gz BHUXWUYOGQGZGS-FUHWJXTLSA-N 1 3 344.503 1.946 20 0 EDADHO CN(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000430616276 305059134 /nfs/dbraw/zinc/05/91/34/305059134.db2.gz AKMLKDWJPXTBCZ-UHFFFAOYSA-N 1 3 348.466 1.548 20 0 EDADHO C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCNCC1 ZINC000430616276 305059135 /nfs/dbraw/zinc/05/91/35/305059135.db2.gz AKMLKDWJPXTBCZ-UHFFFAOYSA-N 1 3 348.466 1.548 20 0 EDADHO C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCNCC1 ZINC000430616276 305059136 /nfs/dbraw/zinc/05/91/36/305059136.db2.gz AKMLKDWJPXTBCZ-UHFFFAOYSA-N 1 3 348.466 1.548 20 0 EDADHO COCC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842587 305065722 /nfs/dbraw/zinc/06/57/22/305065722.db2.gz USUXCHLLTZCIGO-IEBWSBKVSA-N 1 3 331.460 1.393 20 0 EDADHO O=C(C[C@@H]1CNCCO1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000430854904 305066221 /nfs/dbraw/zinc/06/62/21/305066221.db2.gz OVSFOCLWLUHRKS-GOSISDBHSA-N 1 3 331.460 1.667 20 0 EDADHO C[NH2+]CC1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000430956621 305070628 /nfs/dbraw/zinc/07/06/28/305070628.db2.gz LLDDZOXDLYFTFS-UHFFFAOYSA-N 1 3 340.471 1.984 20 0 EDADHO C[C@H]1CN(CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290073 305105105 /nfs/dbraw/zinc/10/51/05/305105105.db2.gz RNKYMSPUBDQYFI-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCO1 ZINC000433452342 305109256 /nfs/dbraw/zinc/10/92/56/305109256.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CCCO1 ZINC000433452342 305109257 /nfs/dbraw/zinc/10/92/57/305109257.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO CCNC(=O)COc1ccc(CN2CCC(C[NH3+])CC2)cc1OC ZINC000435372558 305139187 /nfs/dbraw/zinc/13/91/87/305139187.db2.gz KDLCTVSZNVLICD-UHFFFAOYSA-N 1 3 335.448 1.381 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440977290 305215444 /nfs/dbraw/zinc/21/54/44/305215444.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000440977290 305215445 /nfs/dbraw/zinc/21/54/45/305215445.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 1 3 327.517 1.044 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CN1C1CC1 ZINC000441304215 305220446 /nfs/dbraw/zinc/22/04/46/305220446.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 1 3 334.508 1.985 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CN1C1CC1 ZINC000441304215 305220447 /nfs/dbraw/zinc/22/04/47/305220447.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 1 3 334.508 1.985 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285065 305228234 /nfs/dbraw/zinc/22/82/34/305228234.db2.gz PIAVFSSREMAUPD-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285065 305228235 /nfs/dbraw/zinc/22/82/35/305228235.db2.gz PIAVFSSREMAUPD-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000451782104 305368729 /nfs/dbraw/zinc/36/87/29/305368729.db2.gz JXYFTBDRHZGROP-SJORKVTESA-N 1 3 325.497 1.724 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520368283 305778699 /nfs/dbraw/zinc/77/86/99/305778699.db2.gz JCQAMOUSRHUNPN-ROUUACIJSA-N 1 3 330.476 1.715 20 0 EDADHO CN(CCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccncc1 ZINC000542784786 306058240 /nfs/dbraw/zinc/05/82/40/306058240.db2.gz NNIDGPXGJJNYCE-FGTMMUONSA-N 1 3 346.475 1.618 20 0 EDADHO CCN1CCN(CCCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000543713100 306067632 /nfs/dbraw/zinc/06/76/32/306067632.db2.gz SPDDIIOCSHUEBC-UHFFFAOYSA-N 1 3 347.507 1.442 20 0 EDADHO C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)CN1CCN(C)CC1 ZINC000545309824 306084033 /nfs/dbraw/zinc/08/40/33/306084033.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 1 3 338.540 1.641 20 0 EDADHO C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)CN1CCN(C)CC1 ZINC000545309824 306084034 /nfs/dbraw/zinc/08/40/34/306084034.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 1 3 338.540 1.641 20 0 EDADHO CN1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590934 306093765 /nfs/dbraw/zinc/09/37/65/306093765.db2.gz BCFSNNJUMINBNM-LJQANCHMSA-N 1 3 346.475 1.148 20 0 EDADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197039 306226178 /nfs/dbraw/zinc/22/61/78/306226178.db2.gz NLUDPCBMRJNPIH-QZTJIDSGSA-N 1 3 330.476 1.950 20 0 EDADHO CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCCN2CCO)CC1 ZINC000458453131 447374991 /nfs/dbraw/zinc/37/49/91/447374991.db2.gz ISZSOONODLUBMH-QGZVFWFLSA-N 1 3 340.512 1.254 20 0 EDADHO CC1(C)CC(NC(=O)C(=O)NC[C@H](N)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000419728603 447377313 /nfs/dbraw/zinc/37/73/13/447377313.db2.gz YLJZQYUHIGASRQ-HNNXBMFYSA-N 1 3 346.475 1.228 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000426067512 447386014 /nfs/dbraw/zinc/38/60/14/447386014.db2.gz SBJIIYJEBRVLDJ-OAGGEKHMSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000426067512 447386016 /nfs/dbraw/zinc/38/60/16/447386016.db2.gz SBJIIYJEBRVLDJ-OAGGEKHMSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415421001 447418832 /nfs/dbraw/zinc/41/88/32/447418832.db2.gz UMBQYASDUTYHTJ-CABCVRRESA-N 1 3 346.475 1.663 20 0 EDADHO C[C@@H](CN)N(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415421001 447418839 /nfs/dbraw/zinc/41/88/39/447418839.db2.gz UMBQYASDUTYHTJ-CABCVRRESA-N 1 3 346.475 1.663 20 0 EDADHO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000419823586 447434052 /nfs/dbraw/zinc/43/40/52/447434052.db2.gz OURYXQYQKYHHGQ-MJGOQNOKSA-N 1 3 335.492 1.440 20 0 EDADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000494452085 447437627 /nfs/dbraw/zinc/43/76/27/447437627.db2.gz JEESPYXIVXOHHG-GJZGRUSLSA-N 1 3 341.496 1.678 20 0 EDADHO NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815617 441121971 /nfs/dbraw/zinc/12/19/71/441121971.db2.gz AKFBIYUVMYDRCG-HOCLYGCPSA-N 1 3 330.432 1.074 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072908363 441276679 /nfs/dbraw/zinc/27/66/79/441276679.db2.gz HVKIUHSNZWHMEK-UHFFFAOYSA-N 1 3 341.496 1.106 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000072908363 441276684 /nfs/dbraw/zinc/27/66/84/441276684.db2.gz HVKIUHSNZWHMEK-UHFFFAOYSA-N 1 3 341.496 1.106 20 0 EDADHO CC[NH+]1CCC(N(C)C[C@@H](O)COCc2cccc(OC)c2)CC1 ZINC000106388438 441336007 /nfs/dbraw/zinc/33/60/07/441336007.db2.gz WWFONTXZWAMOQW-GOSISDBHSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)N1CCCC1 ZINC000076599253 441663420 /nfs/dbraw/zinc/66/34/20/441663420.db2.gz GXKQVPKZPUDZTI-OAHLLOKOSA-N 1 3 346.475 1.330 20 0 EDADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(CO)c1 ZINC000121833430 441791104 /nfs/dbraw/zinc/79/11/04/441791104.db2.gz YQFTWSVQFAAUQN-QGZVFWFLSA-N 1 3 335.492 1.220 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077774473 441857320 /nfs/dbraw/zinc/85/73/20/441857320.db2.gz VOYMXQMWTOQTPK-HZPDHXFCSA-N 1 3 340.512 1.110 20 0 EDADHO CN1CCC(O)(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000077774234 441857528 /nfs/dbraw/zinc/85/75/28/441857528.db2.gz YABRGUNKCMQHSO-INIZCTEOSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077787279 441861481 /nfs/dbraw/zinc/86/14/81/441861481.db2.gz IXEAPQWNGYSLDW-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2(O)CCN(C)CC2)C1 ZINC000077787279 441861484 /nfs/dbraw/zinc/86/14/84/441861484.db2.gz IXEAPQWNGYSLDW-HNNXBMFYSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H](Cn1cc(Br)cn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151294557 442038907 /nfs/dbraw/zinc/03/89/07/442038907.db2.gz QIIMCBKCWRTCBP-JSGCOSHPSA-N 1 3 345.285 1.471 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(F)cc1F ZINC000126175288 442086526 /nfs/dbraw/zinc/08/65/26/442086526.db2.gz NJGFVMSZDMUDGM-UHFFFAOYSA-N 1 3 327.419 1.849 20 0 EDADHO O=C(C[C@H]1CCC[NH2+]1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000168099735 442223052 /nfs/dbraw/zinc/22/30/52/442223052.db2.gz LLAVARFPMDRAJF-MOPGFXCFSA-N 1 3 345.487 1.690 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000177770287 442382351 /nfs/dbraw/zinc/38/23/51/442382351.db2.gz RMHVOSBTIXPWPT-HLLBOEOZSA-N 1 3 339.505 1.424 20 0 EDADHO CSC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000132137706 442387688 /nfs/dbraw/zinc/38/76/88/442387688.db2.gz YTNLCHSNYOVQAH-CYBMUJFWSA-N 1 3 328.526 1.596 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CN1Cc1ccccc1 ZINC000130755089 442355359 /nfs/dbraw/zinc/35/53/59/442355359.db2.gz KDXRLILJDSBKAJ-SUMDDJOVSA-N 1 3 348.491 1.261 20 0 EDADHO CS[C@@H]1CCCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134559432 442495523 /nfs/dbraw/zinc/49/55/23/442495523.db2.gz HAEDLOMXZFADBV-MRXNPFEDSA-N 1 3 325.522 1.947 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCC3(CCO)CC3)CC2)CC1 ZINC000186694031 442593264 /nfs/dbraw/zinc/59/32/64/442593264.db2.gz VQRRVFIGZDIQBQ-UHFFFAOYSA-N 1 3 338.496 1.007 20 0 EDADHO COC(=O)[C@@H](C)C[N@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000192730869 442681359 /nfs/dbraw/zinc/68/13/59/442681359.db2.gz QKKCEDUPOYHMEW-INIZCTEOSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)[C@@H](C)C[N@@H+](CCCN1CCN(C(C)C)CC1)C1CC1 ZINC000192730869 442681361 /nfs/dbraw/zinc/68/13/61/442681361.db2.gz QKKCEDUPOYHMEW-INIZCTEOSA-N 1 3 325.497 1.676 20 0 EDADHO CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CCN(Cc3ccccc3C)CC2)C1 ZINC000187903272 442697241 /nfs/dbraw/zinc/69/72/41/442697241.db2.gz FFQDZMUPKBDAJZ-ZWKOTPCHSA-N 1 3 331.460 1.453 20 0 EDADHO CCOC[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](COCC)C3)COC2)C1 ZINC000182211175 442745335 /nfs/dbraw/zinc/74/53/35/442745335.db2.gz KJKHTWFPJCJBKE-ROUUACIJSA-N 1 3 340.508 1.720 20 0 EDADHO CCOC[C@H]1CCN(CC2(C[N@H+]3CC[C@H](COCC)C3)COC2)C1 ZINC000182211175 442745337 /nfs/dbraw/zinc/74/53/37/442745337.db2.gz KJKHTWFPJCJBKE-ROUUACIJSA-N 1 3 340.508 1.720 20 0 EDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188739788 442800507 /nfs/dbraw/zinc/80/05/07/442800507.db2.gz YFVZIQLRFQGKRF-UHFFFAOYSA-N 1 3 341.459 1.826 20 0 EDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3c2CNCC3)c1 ZINC000188739788 442800512 /nfs/dbraw/zinc/80/05/12/442800512.db2.gz YFVZIQLRFQGKRF-UHFFFAOYSA-N 1 3 341.459 1.826 20 0 EDADHO C[C@H](CNC(=O)c1sccc1CN(C)C)C[NH+]1CCN(C)CC1 ZINC000268027548 442822801 /nfs/dbraw/zinc/82/28/01/442822801.db2.gz LEMBAYOFBPBFMZ-CQSZACIVSA-N 1 3 338.521 1.423 20 0 EDADHO CN1CCC(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990928 442856269 /nfs/dbraw/zinc/85/62/69/442856269.db2.gz AIQCIKCFWHHEPV-RHSMWYFYSA-N 1 3 337.414 1.868 20 0 EDADHO CN1CCC(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990975 442856510 /nfs/dbraw/zinc/85/65/10/442856510.db2.gz AIQCIKCFWHHEPV-YOEHRIQHSA-N 1 3 337.414 1.868 20 0 EDADHO COCCN1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000184964810 318540434 /nfs/dbraw/zinc/54/04/34/318540434.db2.gz LLGMUJFSXMZLMT-INIZCTEOSA-N 1 3 340.512 1.661 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCOCC3)CC2)CC1 ZINC000183559299 442941593 /nfs/dbraw/zinc/94/15/93/442941593.db2.gz WVODQGXRZKIINT-OAHLLOKOSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000195142892 442988989 /nfs/dbraw/zinc/98/89/89/442988989.db2.gz DYAPMNGXLBFHAC-UHFFFAOYSA-N 1 3 348.491 1.658 20 0 EDADHO CC[C@]1(CO)CCCN1CC1(C[N@@H+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993456 /nfs/dbraw/zinc/99/34/56/442993456.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 1 3 340.508 1.477 20 0 EDADHO CC[C@]1(CO)CCCN1CC1(C[N@H+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993461 /nfs/dbraw/zinc/99/34/61/442993461.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 1 3 340.508 1.477 20 0 EDADHO CC[C@]1(CO)CCC[N@H+]1CC1(CN2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993463 /nfs/dbraw/zinc/99/34/63/442993463.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 1 3 340.508 1.477 20 0 EDADHO CC[C@]1(CO)CCC[N@@H+]1CC1(CN2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993467 /nfs/dbraw/zinc/99/34/67/442993467.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 1 3 340.508 1.477 20 0 EDADHO C[NH+](C)[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000266107184 443019517 /nfs/dbraw/zinc/01/95/17/443019517.db2.gz FCRJJZGOUHJBBQ-IBGZPJMESA-N 1 3 344.503 1.751 20 0 EDADHO COCCC(C)(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000184568814 443040710 /nfs/dbraw/zinc/04/07/10/443040710.db2.gz NPHWRIKAUZWBHR-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C(=O)CCN1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000266214369 443060476 /nfs/dbraw/zinc/06/04/76/443060476.db2.gz JVQDXQALAPMHSS-UHFFFAOYSA-N 1 3 344.503 1.751 20 0 EDADHO CN1CCN(CCOc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000237209973 443164280 /nfs/dbraw/zinc/16/42/80/443164280.db2.gz IXBMOAJNZLYJSC-UHFFFAOYSA-N 1 3 332.448 1.003 20 0 EDADHO N[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163877 443184782 /nfs/dbraw/zinc/18/47/82/443184782.db2.gz YCHJYKAMDYOFJR-WMZOPIPTSA-N 1 3 337.508 1.855 20 0 EDADHO O=C(NCCCN1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000269107999 443199537 /nfs/dbraw/zinc/19/95/37/443199537.db2.gz LRPKBQAYSDOYDQ-UHFFFAOYSA-N 1 3 344.503 1.310 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000269244514 443248491 /nfs/dbraw/zinc/24/84/91/443248491.db2.gz DKVCKILLEHNCLX-SFHVURJKSA-N 1 3 332.492 1.607 20 0 EDADHO CNCc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000414648751 319335852 /nfs/dbraw/zinc/33/58/52/319335852.db2.gz BIYXLGOFUODABA-UHFFFAOYSA-N 1 3 346.475 1.770 20 0 EDADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1COc2ccccc2O1 ZINC000414673427 319339746 /nfs/dbraw/zinc/33/97/46/319339746.db2.gz CFYGZOCNXSXDCV-JKSUJKDBSA-N 1 3 347.459 1.346 20 0 EDADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@@H]1COc2ccccc2O1 ZINC000414673427 319339747 /nfs/dbraw/zinc/33/97/47/319339747.db2.gz CFYGZOCNXSXDCV-JKSUJKDBSA-N 1 3 347.459 1.346 20 0 EDADHO COCC[N@H+](CCCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693449 319343554 /nfs/dbraw/zinc/34/35/54/319343554.db2.gz RMRMMSMXVVLUIN-LJQANCHMSA-N 1 3 347.503 1.765 20 0 EDADHO COCC[N@@H+](CCCc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414693449 319343557 /nfs/dbraw/zinc/34/35/57/319343557.db2.gz RMRMMSMXVVLUIN-LJQANCHMSA-N 1 3 347.503 1.765 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000185814695 443263176 /nfs/dbraw/zinc/26/31/76/443263176.db2.gz QNHRLWLKRUDLKL-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO COc1cccc([C@H](CNC(=O)NCCCC[NH3+])N2CCCC2)c1 ZINC000416853951 319467180 /nfs/dbraw/zinc/46/71/80/319467180.db2.gz OQDMXFZPFWPHSM-KRWDZBQOSA-N 1 3 334.464 1.870 20 0 EDADHO CN(C)CCN(C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000267057082 443327003 /nfs/dbraw/zinc/32/70/03/443327003.db2.gz OKWSTNSOBADMPX-UHFFFAOYSA-N 1 3 336.480 1.720 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000419236799 319574193 /nfs/dbraw/zinc/57/41/93/319574193.db2.gz OEKUCBRYFYIJSW-OAHLLOKOSA-N 1 3 326.485 1.001 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267168036 443365180 /nfs/dbraw/zinc/36/51/80/443365180.db2.gz UEALZUHRJUHLNK-UHFFFAOYSA-N 1 3 345.443 1.681 20 0 EDADHO CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N(C)C ZINC000269912740 443455467 /nfs/dbraw/zinc/45/54/67/443455467.db2.gz RJQXYJIAONOMCI-LJQANCHMSA-N 1 3 347.503 1.990 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422929094 319737993 /nfs/dbraw/zinc/73/79/93/319737993.db2.gz OGCZPTKOKYQZFK-RDJZCZTQSA-N 1 3 339.505 1.934 20 0 EDADHO C[C@@H](NC1(CNC(=O)C2(C)C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000423430802 319774584 /nfs/dbraw/zinc/77/45/84/319774584.db2.gz QGBALFLRPWSBAZ-OAHLLOKOSA-N 1 3 331.460 1.612 20 0 EDADHO CC(C)[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000427145999 319891398 /nfs/dbraw/zinc/89/13/98/319891398.db2.gz CKKIQWVNRYDNJY-SJORKVTESA-N 1 3 325.497 1.676 20 0 EDADHO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000265414911 443634514 /nfs/dbraw/zinc/63/45/14/443634514.db2.gz ICBFEEPJDADKJZ-QZTJIDSGSA-N 1 3 346.475 1.233 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000449727272 320202511 /nfs/dbraw/zinc/20/25/11/320202511.db2.gz PCQZSQXIWNFKSN-WBVHZDCISA-N 1 3 330.476 1.686 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccncc1 ZINC000491348462 320369066 /nfs/dbraw/zinc/36/90/66/320369066.db2.gz FXIVFKZOXNTEPB-DVBCCOPCSA-N 1 3 330.476 1.969 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C/c1ccncc1 ZINC000491348462 320369067 /nfs/dbraw/zinc/36/90/67/320369067.db2.gz FXIVFKZOXNTEPB-DVBCCOPCSA-N 1 3 330.476 1.969 20 0 EDADHO CN(C)C/C=C\C(=O)Nc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492986395 320392419 /nfs/dbraw/zinc/39/24/19/320392419.db2.gz QSHRBNYXXFKPGW-SQXCDDPUSA-N 1 3 330.432 1.799 20 0 EDADHO [NH3+][C@H](CNC(=O)NCC1(N2CCSCC2)CCCC1)C1CC1 ZINC000561143095 321034719 /nfs/dbraw/zinc/03/47/19/321034719.db2.gz BTWJBVJXMUDWMR-CQSZACIVSA-N 1 3 326.510 1.385 20 0 EDADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000561573382 321042773 /nfs/dbraw/zinc/04/27/73/321042773.db2.gz BXNZOTWRUVOBQE-AWEZNQCLSA-N 1 3 346.479 1.759 20 0 EDADHO CN(CCC[NH3+])C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000565372249 321184816 /nfs/dbraw/zinc/18/48/16/321184816.db2.gz JONQMPBEQAVVMU-UHFFFAOYSA-N 1 3 334.464 1.134 20 0 EDADHO CN(C)[C@]1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCSC1 ZINC000566795340 321234006 /nfs/dbraw/zinc/23/40/06/321234006.db2.gz LKBDVFGHJPZTKA-WMZOPIPTSA-N 1 3 348.516 1.691 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000567647030 321250531 /nfs/dbraw/zinc/25/05/31/321250531.db2.gz LWLROALLXWNKRT-ZNMIVQPWSA-N 1 3 334.464 1.361 20 0 EDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708588 321354701 /nfs/dbraw/zinc/35/47/01/321354701.db2.gz BOGZAYCRLVZVGS-RCCFBDPRSA-N 1 3 339.524 1.611 20 0 EDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000571676000 321396891 /nfs/dbraw/zinc/39/68/91/321396891.db2.gz NQXWQKCCSJMVHP-RDTXWAMCSA-N 1 3 331.460 1.258 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000571743675 321399252 /nfs/dbraw/zinc/39/92/52/321399252.db2.gz MYHPZRVPXTZCNP-JKSUJKDBSA-N 1 3 348.495 1.831 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571773325 321399911 /nfs/dbraw/zinc/39/99/11/321399911.db2.gz PGCKJSLGPOWCOM-ICSRJNTNSA-N 1 3 344.503 1.944 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327676 444149289 /nfs/dbraw/zinc/14/92/89/444149289.db2.gz FNARJBIWZDSXBV-VXIBKDFQSA-N 1 3 345.487 1.985 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327676 444149292 /nfs/dbraw/zinc/14/92/92/444149292.db2.gz FNARJBIWZDSXBV-VXIBKDFQSA-N 1 3 345.487 1.985 20 0 EDADHO CN(C)CCn1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000575136134 321516764 /nfs/dbraw/zinc/51/67/64/321516764.db2.gz VIGFSCRJHQROQW-MRXNPFEDSA-N 1 3 333.480 1.249 20 0 EDADHO Cc1nn2c(CN(C)CCCN(C)CC[NH+](C)C)c(C)nc2s1 ZINC000290155241 444249136 /nfs/dbraw/zinc/24/91/36/444249136.db2.gz LLXQIQZLXBASAP-UHFFFAOYSA-N 1 3 338.525 1.723 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)N2CCCC2)cc1 ZINC000576927013 321607237 /nfs/dbraw/zinc/60/72/37/321607237.db2.gz PLORMMKSQJYFHS-XWTMOSNGSA-N 1 3 344.459 1.349 20 0 EDADHO CO[C@H](CN)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000290017523 444231633 /nfs/dbraw/zinc/23/16/33/444231633.db2.gz FCWXTQOMOFHQJS-GOSISDBHSA-N 1 3 349.475 1.148 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CNCCC1(F)F ZINC000577614535 321667407 /nfs/dbraw/zinc/66/74/07/321667407.db2.gz FXSKRZQSHXXMIM-CQSZACIVSA-N 1 3 327.375 1.354 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297703250 444321349 /nfs/dbraw/zinc/32/13/49/444321349.db2.gz YGYVXFXPDXCOFA-MQVJKMGUSA-N 1 3 334.464 1.978 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297703250 444321350 /nfs/dbraw/zinc/32/13/50/444321350.db2.gz YGYVXFXPDXCOFA-MQVJKMGUSA-N 1 3 334.464 1.978 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305770912 444279576 /nfs/dbraw/zinc/27/95/76/444279576.db2.gz PIMPBSFOLRJTDS-RYQLBKOJSA-N 1 3 339.524 1.991 20 0 EDADHO C[C@H]1CCN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000578121859 321724634 /nfs/dbraw/zinc/72/46/34/321724634.db2.gz VRFCBADKLQNMNC-MAUKXSAKSA-N 1 3 344.503 1.712 20 0 EDADHO CC(C)CCOCCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959679 444338104 /nfs/dbraw/zinc/33/81/04/444338104.db2.gz XKKAJUDBGVRJJI-DLBZAZTESA-N 1 3 325.497 1.629 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000325693847 444368058 /nfs/dbraw/zinc/36/80/58/444368058.db2.gz RBFARYDBSXGLDF-XOKHGSTOSA-N 1 3 327.428 1.732 20 0 EDADHO C[C@H]1[C@H](NC(=O)NCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000580420796 322048279 /nfs/dbraw/zinc/04/82/79/322048279.db2.gz QVWJKYZCVWRFBE-MAUKXSAKSA-N 1 3 328.460 1.868 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000580426005 322049000 /nfs/dbraw/zinc/04/90/00/322049000.db2.gz XJANWAOIGLXELC-QGTPRVQTSA-N 1 3 331.460 1.946 20 0 EDADHO O[C@@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)Cc1ccccc1 ZINC000580545199 322064158 /nfs/dbraw/zinc/06/41/58/322064158.db2.gz IALZFAGNABCKPB-NHCUHLMSSA-N 1 3 340.467 1.946 20 0 EDADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000343722394 444546012 /nfs/dbraw/zinc/54/60/12/444546012.db2.gz FAQCPQWOURZKCM-YLJYHZDGSA-N 1 3 331.504 1.690 20 0 EDADHO CCC[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)N(C)C ZINC000343851351 444627711 /nfs/dbraw/zinc/62/77/11/444627711.db2.gz OXGHPKNDTJNTNZ-IRXDYDNUSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000342691660 444817014 /nfs/dbraw/zinc/81/70/14/444817014.db2.gz IDPOZUFDQMFYON-KSSFIOAISA-N 1 3 331.460 1.970 20 0 EDADHO C[C@@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCCN1C ZINC000341444270 444835747 /nfs/dbraw/zinc/83/57/47/444835747.db2.gz ZBSCLZOOJZJOQS-GDBMZVCRSA-N 1 3 349.479 1.304 20 0 EDADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CCCC1 ZINC000342950671 444961662 /nfs/dbraw/zinc/96/16/62/444961662.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCCN1C1CCCC1 ZINC000342950671 444961665 /nfs/dbraw/zinc/96/16/65/444961665.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 1 3 337.508 1.747 20 0 EDADHO COC(=O)C1CCN(CCCNC(=O)CN2CCC(C)CC2)CC1 ZINC000343036290 445020031 /nfs/dbraw/zinc/02/00/31/445020031.db2.gz XCNWANIBWNEWBT-UHFFFAOYSA-N 1 3 339.480 1.110 20 0 EDADHO COC(=O)C1CC[NH+](CCCNC(=O)CN2CCC(C)CC2)CC1 ZINC000343036290 445020036 /nfs/dbraw/zinc/02/00/36/445020036.db2.gz XCNWANIBWNEWBT-UHFFFAOYSA-N 1 3 339.480 1.110 20 0 EDADHO COC(=O)[C@H]1CC12CC[NH+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000337210546 444987718 /nfs/dbraw/zinc/98/77/18/444987718.db2.gz CRBHTRGDSPWVTI-QGZVFWFLSA-N 1 3 337.508 1.678 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+]C[C@H](O)[C@H]2CCOC2)CC1 ZINC000344481732 445001888 /nfs/dbraw/zinc/00/18/88/445001888.db2.gz PXTFPTACADIIDN-ICSRJNTNSA-N 1 3 347.503 1.706 20 0 EDADHO CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)N1CCN(C)CC1 ZINC000339410880 445136567 /nfs/dbraw/zinc/13/65/67/445136567.db2.gz YNWFOINZARZFAZ-QGZVFWFLSA-N 1 3 339.528 1.044 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000339223562 445098262 /nfs/dbraw/zinc/09/82/62/445098262.db2.gz BVHCEURSFVNIQO-JKSUJKDBSA-N 1 3 325.497 1.722 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339223562 445098266 /nfs/dbraw/zinc/09/82/66/445098266.db2.gz BVHCEURSFVNIQO-JKSUJKDBSA-N 1 3 325.497 1.722 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000337651424 445187944 /nfs/dbraw/zinc/18/79/44/445187944.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000337651424 445187947 /nfs/dbraw/zinc/18/79/47/445187947.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000337580096 445148723 /nfs/dbraw/zinc/14/87/23/445148723.db2.gz NCDWCWXVMPAYHQ-QZTJIDSGSA-N 1 3 349.523 1.935 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000337580096 445148725 /nfs/dbraw/zinc/14/87/25/445148725.db2.gz NCDWCWXVMPAYHQ-QZTJIDSGSA-N 1 3 349.523 1.935 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042416 445230066 /nfs/dbraw/zinc/23/00/66/445230066.db2.gz KQZKTZWOQXPQIM-IXDOHACOSA-N 1 3 340.512 1.374 20 0 EDADHO COCCN1CC[C@@H](NC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042416 445230067 /nfs/dbraw/zinc/23/00/67/445230067.db2.gz KQZKTZWOQXPQIM-IXDOHACOSA-N 1 3 340.512 1.374 20 0 EDADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000343517958 445237673 /nfs/dbraw/zinc/23/76/73/445237673.db2.gz XNUAPXUHOZEFMT-XJKSGUPXSA-N 1 3 349.450 1.999 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362494366 445410523 /nfs/dbraw/zinc/41/05/23/445410523.db2.gz KFNOUFDQEOEGDW-DOTOQJQBSA-N 1 3 342.553 1.701 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000362494366 445410524 /nfs/dbraw/zinc/41/05/24/445410524.db2.gz KFNOUFDQEOEGDW-DOTOQJQBSA-N 1 3 342.553 1.701 20 0 EDADHO O=C(CCOC1CNC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349010488 445475030 /nfs/dbraw/zinc/47/50/30/445475030.db2.gz XYWUDFFBPLJPKD-UHFFFAOYSA-N 1 3 331.460 1.667 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359996307 445519761 /nfs/dbraw/zinc/51/97/61/445519761.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359996307 445519765 /nfs/dbraw/zinc/51/97/65/445519765.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 1 3 337.508 1.868 20 0 EDADHO CC[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000362758120 445535363 /nfs/dbraw/zinc/53/53/63/445535363.db2.gz IUQSBKKQUDIGTM-QGZVFWFLSA-N 1 3 333.480 1.545 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220868 445490443 /nfs/dbraw/zinc/49/04/43/445490443.db2.gz AFGHTFWJWUXXNE-CRAIPNDOSA-N 1 3 333.476 1.668 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)NC[C@H]2NCCc3ccccc32)CC1 ZINC000357235687 445497720 /nfs/dbraw/zinc/49/77/20/445497720.db2.gz DMJUEPWBFLNQKU-GOSISDBHSA-N 1 3 330.476 1.193 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)CN(C)C)CC1 ZINC000358520902 445630656 /nfs/dbraw/zinc/63/06/56/445630656.db2.gz IEPTZUOJFNLKFN-HNNXBMFYSA-N 1 3 328.501 1.469 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117335 445684962 /nfs/dbraw/zinc/68/49/62/445684962.db2.gz GIRIXHPXLQUKOT-GOSISDBHSA-N 1 3 346.475 1.131 20 0 EDADHO COCC[N@@H+]1CC[C@@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117335 445684968 /nfs/dbraw/zinc/68/49/68/445684968.db2.gz GIRIXHPXLQUKOT-GOSISDBHSA-N 1 3 346.475 1.131 20 0 EDADHO COCC[N@H+]1CC[C@@H](NC(=O)C2CCN(Cc3cccnc3)CC2)C1 ZINC000363117335 445684972 /nfs/dbraw/zinc/68/49/72/445684972.db2.gz GIRIXHPXLQUKOT-GOSISDBHSA-N 1 3 346.475 1.131 20 0 EDADHO COCCN1CC[C@@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363117335 445684976 /nfs/dbraw/zinc/68/49/76/445684976.db2.gz GIRIXHPXLQUKOT-GOSISDBHSA-N 1 3 346.475 1.131 20 0 EDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 ZINC000356225545 445685444 /nfs/dbraw/zinc/68/54/44/445685444.db2.gz POUOUKDCZJMCNW-CQSZACIVSA-N 1 3 340.512 1.070 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725589 /nfs/dbraw/zinc/72/55/89/445725589.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 1 3 326.485 1.127 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725591 /nfs/dbraw/zinc/72/55/91/445725591.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 1 3 326.485 1.127 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323689 445766117 /nfs/dbraw/zinc/76/61/17/445766117.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 1 3 336.524 1.395 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000363323689 445766120 /nfs/dbraw/zinc/76/61/20/445766120.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 1 3 336.524 1.395 20 0 EDADHO CN(C)CCOc1cc(C[NH2+]C2CCN(CC(F)F)CC2)ccn1 ZINC000361455467 445768670 /nfs/dbraw/zinc/76/86/70/445768670.db2.gz CWWQYFJEIWVFBH-UHFFFAOYSA-N 1 3 342.434 1.841 20 0 EDADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363390965 445785300 /nfs/dbraw/zinc/78/53/00/445785300.db2.gz XXQUBXTYOTZNPN-SJORKVTESA-N 1 3 338.496 1.461 20 0 EDADHO C[C@@H]1C[C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849435 445809194 /nfs/dbraw/zinc/80/91/94/445809194.db2.gz CMWKPSOQPYZMGP-ZBFHGGJFSA-N 1 3 331.460 1.970 20 0 EDADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372903852 445912512 /nfs/dbraw/zinc/91/25/12/445912512.db2.gz QECHPOTXMGCIGT-IUVQAAGXSA-N 1 3 337.508 1.709 20 0 EDADHO CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000582726100 325913085 /nfs/dbraw/zinc/91/30/85/325913085.db2.gz NEGCNLKZKUYZPE-JYJNAYRXSA-N 1 3 340.512 1.101 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119480 446043358 /nfs/dbraw/zinc/04/33/58/446043358.db2.gz ZAALHAGIASLYEE-QZTJIDSGSA-N 1 3 325.497 1.489 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198818 326024552 /nfs/dbraw/zinc/02/45/52/326024552.db2.gz JLYBHMVHQJDNAW-JTDSTZFVSA-N 1 3 335.492 1.308 20 0 EDADHO C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000359223916 446053592 /nfs/dbraw/zinc/05/35/92/446053592.db2.gz KSLFKUBHLPVGDB-INIZCTEOSA-N 1 3 346.475 1.663 20 0 EDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451168 326076597 /nfs/dbraw/zinc/07/65/97/326076597.db2.gz MXZGHHKLZILGEL-RBSFLKMASA-N 1 3 329.452 1.200 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000359269579 446107216 /nfs/dbraw/zinc/10/72/16/446107216.db2.gz YWTCOHWUNYYAKD-ARFHVFGLSA-N 1 3 340.512 1.212 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000359269579 446107221 /nfs/dbraw/zinc/10/72/21/446107221.db2.gz YWTCOHWUNYYAKD-ARFHVFGLSA-N 1 3 340.512 1.212 20 0 EDADHO CC(C)c1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)nc(N(C)C)n1 ZINC000351588617 446186656 /nfs/dbraw/zinc/18/66/56/446186656.db2.gz WSBQEHPVFFYIRX-OAHLLOKOSA-N 1 3 334.512 2.104 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665544 446144561 /nfs/dbraw/zinc/14/45/61/446144561.db2.gz SYJYVHZVSNTEHW-GDBMZVCRSA-N 1 3 346.479 1.850 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(C2CCN(C)CC2)n1 ZINC000369665544 446144568 /nfs/dbraw/zinc/14/45/68/446144568.db2.gz SYJYVHZVSNTEHW-GDBMZVCRSA-N 1 3 346.479 1.850 20 0 EDADHO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(F)CCNC3)nc2)CC1 ZINC000366324670 446150295 /nfs/dbraw/zinc/15/02/95/446150295.db2.gz OBLYZYSRCVZSJJ-QGZVFWFLSA-N 1 3 335.427 1.252 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365414156 446194707 /nfs/dbraw/zinc/19/47/07/446194707.db2.gz KTHHEUGWGYBPSZ-KRWDZBQOSA-N 1 3 347.507 1.973 20 0 EDADHO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1[nH]nc2c1CNCC2 ZINC000373435323 446216523 /nfs/dbraw/zinc/21/65/23/446216523.db2.gz LXAVMBQCBAUCCA-UHFFFAOYSA-N 1 3 345.472 1.511 20 0 EDADHO CCCN1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227119 /nfs/dbraw/zinc/22/71/19/446227119.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO CCCN1CCCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227123 /nfs/dbraw/zinc/22/71/23/446227123.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO C[NH+](C)CC1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000365726756 446317794 /nfs/dbraw/zinc/31/77/94/446317794.db2.gz STOLFGYSKWQDAL-UHFFFAOYSA-N 1 3 337.508 1.822 20 0 EDADHO CCC[NH2+]CCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000417547894 446364361 /nfs/dbraw/zinc/36/43/61/446364361.db2.gz HDVGVGWXSNUTQB-UHFFFAOYSA-N 1 3 348.491 1.442 20 0 EDADHO C[NH2+]C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000420279886 446448292 /nfs/dbraw/zinc/44/82/92/446448292.db2.gz XQHRJRFDGLYOAW-FUHWJXTLSA-N 1 3 332.492 1.337 20 0 EDADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000417994637 446409847 /nfs/dbraw/zinc/40/98/47/446409847.db2.gz OYLSWFGILRYUKM-ZWKOTPCHSA-N 1 3 346.475 1.147 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418015183 446416255 /nfs/dbraw/zinc/41/62/55/446416255.db2.gz PPVSHBQCZIFOTJ-UBDQQSCGSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000418192230 446455317 /nfs/dbraw/zinc/45/53/17/446455317.db2.gz MDJKYQSSUJZHTJ-OQIJWPOYSA-N 1 3 342.487 1.900 20 0 EDADHO COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420295518 446457659 /nfs/dbraw/zinc/45/76/59/446457659.db2.gz PKSANHWWIHBONK-KGLIPLIRSA-N 1 3 347.459 1.537 20 0 EDADHO C[NH2+]CCCNC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418278394 446481041 /nfs/dbraw/zinc/48/10/41/446481041.db2.gz LPASTPQIVPTJPT-GASCZTMLSA-N 1 3 326.485 1.127 20 0 EDADHO COc1ccc(OC)c(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420314100 446478200 /nfs/dbraw/zinc/47/82/00/446478200.db2.gz YSQAZGHIJKKCBK-INIZCTEOSA-N 1 3 333.476 1.821 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000420316853 446481944 /nfs/dbraw/zinc/48/19/44/446481944.db2.gz YQJWHRUKXCEHJL-SFHVURJKSA-N 1 3 344.503 1.481 20 0 EDADHO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323793 446489254 /nfs/dbraw/zinc/48/92/54/446489254.db2.gz AASWOLOVGNPJBU-MELADBBJSA-N 1 3 331.416 1.674 20 0 EDADHO CC1CCC(NC(=O)CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420325485 446491146 /nfs/dbraw/zinc/49/11/46/446491146.db2.gz WQAIRNHLJSHVGG-LXPRWKDFSA-N 1 3 336.524 1.299 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453582839 446563844 /nfs/dbraw/zinc/56/38/44/446563844.db2.gz CCIUVXKIIHQODR-IBGZPJMESA-N 1 3 330.476 1.587 20 0 EDADHO Cc1nc(CN)ccc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396443 446517091 /nfs/dbraw/zinc/51/70/91/446517091.db2.gz RPBDHSKCJSWBHC-NHYWBVRUSA-N 1 3 345.413 1.335 20 0 EDADHO COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346890 446520544 /nfs/dbraw/zinc/52/05/44/446520544.db2.gz ZJVUGFAQCKLUNN-DLBZAZTESA-N 1 3 345.487 1.975 20 0 EDADHO CN1CCC(NC(=O)Nc2ccc(NC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000423427482 446532686 /nfs/dbraw/zinc/53/26/86/446532686.db2.gz QPBVEGZGFSGJSO-UHFFFAOYSA-N 1 3 345.447 1.450 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418602227 446611255 /nfs/dbraw/zinc/61/12/55/446611255.db2.gz MKVNXAFGCKTOQJ-KBPBESRZSA-N 1 3 333.436 1.062 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000423637245 446620170 /nfs/dbraw/zinc/62/01/70/446620170.db2.gz BZIXWRRXXMQVDI-MAUKXSAKSA-N 1 3 330.476 1.779 20 0 EDADHO COCCN1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376675930 446644339 /nfs/dbraw/zinc/64/43/39/446644339.db2.gz XOZLKSNKFKQTPA-DOTOQJQBSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@H](CCC[NH3+])NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418694887 446651664 /nfs/dbraw/zinc/65/16/64/446651664.db2.gz WPPCNDCXWFVAAI-PMPSAXMXSA-N 1 3 340.512 1.645 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418737787 446662801 /nfs/dbraw/zinc/66/28/01/446662801.db2.gz WCIAULPDGMBTCZ-RDJZCZTQSA-N 1 3 333.480 1.815 20 0 EDADHO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000418748614 446668031 /nfs/dbraw/zinc/66/80/31/446668031.db2.gz BJUXSYUXKNNIDG-CQSZACIVSA-N 1 3 332.439 1.747 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN([C@@H](C)CO)C2CCCC2)CC1 ZINC000411610045 446625848 /nfs/dbraw/zinc/62/58/48/446625848.db2.gz XPNQUOZIGDXBHO-HNNXBMFYSA-N 1 3 325.497 1.601 20 0 EDADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418644947 446630054 /nfs/dbraw/zinc/63/00/54/446630054.db2.gz VOBNHTZCRGXJLG-KYJSFNMBSA-N 1 3 328.460 1.752 20 0 EDADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418644947 446630058 /nfs/dbraw/zinc/63/00/58/446630058.db2.gz VOBNHTZCRGXJLG-KYJSFNMBSA-N 1 3 328.460 1.752 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903625 446753892 /nfs/dbraw/zinc/75/38/92/446753892.db2.gz NFKTVBRMDYCTPD-REGYPHIPSA-N 1 3 349.519 1.994 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1(C)C ZINC000423903625 446753898 /nfs/dbraw/zinc/75/38/98/446753898.db2.gz NFKTVBRMDYCTPD-REGYPHIPSA-N 1 3 349.519 1.994 20 0 EDADHO CCN(CC)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000418864463 446759207 /nfs/dbraw/zinc/75/92/07/446759207.db2.gz QTRKUTYKKARCHP-IAGOWNOFSA-N 1 3 348.491 1.285 20 0 EDADHO OC[C@H]1CCCCN(CC2(C[N@@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876126 446770506 /nfs/dbraw/zinc/77/05/06/446770506.db2.gz LXMSEJDHKPAUES-ROUUACIJSA-N 1 3 340.508 1.192 20 0 EDADHO OC[C@H]1CCCCN(CC2(C[N@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876126 446770512 /nfs/dbraw/zinc/77/05/12/446770512.db2.gz LXMSEJDHKPAUES-ROUUACIJSA-N 1 3 340.508 1.192 20 0 EDADHO CC(C)COC[C@@H](O)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000371340597 446788469 /nfs/dbraw/zinc/78/84/69/446788469.db2.gz GNASWIZJMXJUBW-IBGZPJMESA-N 1 3 341.540 1.510 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418910289 446791352 /nfs/dbraw/zinc/79/13/52/446791352.db2.gz BHCVMMVESLEWKU-IIDMSEBBSA-N 1 3 340.512 1.103 20 0 EDADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377032481 446872646 /nfs/dbraw/zinc/87/26/46/446872646.db2.gz RBKXUFWLKSNGPT-QRVBRYPASA-N 1 3 335.540 1.172 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419176442 446992658 /nfs/dbraw/zinc/99/26/58/446992658.db2.gz ZEFDUYFWJJMINS-BZUAXINKSA-N 1 3 338.496 1.014 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368712119 447060159 /nfs/dbraw/zinc/06/01/59/447060159.db2.gz KIJUZYOEGZHCHZ-AWEZNQCLSA-N 1 3 326.404 1.101 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462409 447064803 /nfs/dbraw/zinc/06/48/03/447064803.db2.gz HNGIHMWDRGBXKT-GPMSIDNRSA-N 1 3 335.492 1.510 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027440 /nfs/dbraw/zinc/02/74/40/447027440.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 1 3 339.480 1.840 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375760149 447027444 /nfs/dbraw/zinc/02/74/44/447027444.db2.gz SKJYBFSBQJDFNF-BBWFWOEESA-N 1 3 339.480 1.840 20 0 EDADHO CCN1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321557 447140750 /nfs/dbraw/zinc/14/07/50/447140750.db2.gz GGYHORACEGLYKQ-KRWDZBQOSA-N 1 3 330.476 1.479 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421379126 447144505 /nfs/dbraw/zinc/14/45/05/447144505.db2.gz ITHOHCQNZOQDKF-GOSISDBHSA-N 1 3 344.503 1.787 20 0 EDADHO CCCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421379126 447144512 /nfs/dbraw/zinc/14/45/12/447144512.db2.gz ITHOHCQNZOQDKF-GOSISDBHSA-N 1 3 344.503 1.787 20 0 EDADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568290 447147084 /nfs/dbraw/zinc/14/70/84/447147084.db2.gz GPJRUDVVYMJPJJ-MDZRGWNJSA-N 1 3 329.444 1.803 20 0 EDADHO COC[C@]1(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981851 447455660 /nfs/dbraw/zinc/45/56/60/447455660.db2.gz PRVVKRUTGJNSPA-MJGOQNOKSA-N 1 3 331.460 1.345 20 0 EDADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@H]1CCCCN1C1CC1 ZINC000458707004 447457808 /nfs/dbraw/zinc/45/78/08/447457808.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)NC[C@H]1CCCCN1C1CC1 ZINC000458707004 447457813 /nfs/dbraw/zinc/45/78/13/447457813.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 1 3 338.496 1.149 20 0 EDADHO CN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C2(CCCCC2)C1 ZINC000494884291 447461450 /nfs/dbraw/zinc/46/14/50/447461450.db2.gz XIDUEVYDCGYACB-UHFFFAOYSA-N 1 3 348.535 1.680 20 0 EDADHO CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000419926568 447494603 /nfs/dbraw/zinc/49/46/03/447494603.db2.gz JKEFFVAMTUIQKN-KRWDZBQOSA-N 1 3 346.475 1.135 20 0 EDADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3COCCO3)CC2)C[C@@H](C)O1 ZINC000450477406 447502318 /nfs/dbraw/zinc/50/23/18/447502318.db2.gz WOCCSPIYGKCURJ-JFIYKMOQSA-N 1 3 326.481 1.613 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000390895999 447504666 /nfs/dbraw/zinc/50/46/66/447504666.db2.gz KFSDPUFGPAKSTN-MSOLQXFVSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000426927139 447517460 /nfs/dbraw/zinc/51/74/60/447517460.db2.gz SKZJLPPSZPRDTG-NXHRZFHOSA-N 1 3 334.508 1.098 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305192 447578747 /nfs/dbraw/zinc/57/87/47/447578747.db2.gz RBZHNJPARCEPKS-GOEBONIOSA-N 1 3 344.459 1.322 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000427322982 447581030 /nfs/dbraw/zinc/58/10/30/447581030.db2.gz VQUCFWMYFPTDHW-FUHWJXTLSA-N 1 3 333.476 1.812 20 0 EDADHO Cc1cc(C)n(CCN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000395760572 447541231 /nfs/dbraw/zinc/54/12/31/447541231.db2.gz KWGWOZMLGCDPOP-IRXDYDNUSA-N 1 3 333.480 1.080 20 0 EDADHO CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)CC1 ZINC000427466983 447601973 /nfs/dbraw/zinc/60/19/73/447601973.db2.gz YFSGAFIHACJUNZ-SFHVURJKSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000422802103 447754219 /nfs/dbraw/zinc/75/42/19/447754219.db2.gz AWDFGQNUKUTBIR-RDTXWAMCSA-N 1 3 347.484 1.425 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@@H]2CCCc3c2cnn3C)CC[NH2+]CC1 ZINC000422830920 447762708 /nfs/dbraw/zinc/76/27/08/447762708.db2.gz IYXAERZLZRPJHQ-DZGCQCFKSA-N 1 3 334.464 1.709 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCCN1CCCO ZINC000458333251 447771671 /nfs/dbraw/zinc/77/16/71/447771671.db2.gz AVXVKGOYTNQAOD-BRWVUGGUSA-N 1 3 340.512 1.395 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422943695 447777883 /nfs/dbraw/zinc/77/78/83/447777883.db2.gz RCODCIGPAAQFOF-GDBMZVCRSA-N 1 3 325.478 1.544 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422943698 447777972 /nfs/dbraw/zinc/77/79/72/447777972.db2.gz RCODCIGPAAQFOF-ZBFHGGJFSA-N 1 3 325.478 1.544 20 0 EDADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579234 447781812 /nfs/dbraw/zinc/78/18/12/447781812.db2.gz BVWHNDFYNPERGC-JTQLQIEISA-N 1 3 326.363 1.070 20 0 EDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ncccc1C(F)(F)F ZINC000422999561 447789599 /nfs/dbraw/zinc/78/95/99/447789599.db2.gz SQXHDWKHADTOOJ-GMXVVIOVSA-N 1 3 333.354 1.821 20 0 EDADHO COc1cccc(COCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423000638 447790226 /nfs/dbraw/zinc/79/02/26/447790226.db2.gz GZYBZDLXNQDJRC-GBESFXJTSA-N 1 3 334.460 1.959 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000423078111 447799734 /nfs/dbraw/zinc/79/97/34/447799734.db2.gz NVCJXPGXOKCNGN-UKRRQHHQSA-N 1 3 331.526 1.686 20 0 EDADHO CC[C@@H](NC1CCN(S(=O)(=O)C(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423077281 447800110 /nfs/dbraw/zinc/80/01/10/447800110.db2.gz SUIFVXPVDZVMED-HZPDHXFCSA-N 1 3 331.526 1.699 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000487684751 447835966 /nfs/dbraw/zinc/83/59/66/447835966.db2.gz CZAWODHPPWPHMF-DLBZAZTESA-N 1 3 338.496 1.148 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000523448030 447888092 /nfs/dbraw/zinc/88/80/92/447888092.db2.gz HLZFZYDBDBUPKU-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCC(NC(=O)CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000523448030 447888093 /nfs/dbraw/zinc/88/80/93/447888093.db2.gz HLZFZYDBDBUPKU-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO C[N@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761529 447890647 /nfs/dbraw/zinc/89/06/47/447890647.db2.gz WWUQMRHXKGHEBQ-CABCVRRESA-N 1 3 341.496 1.819 20 0 EDADHO C[N@@H+](C[C@H](O)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C)C1CC1 ZINC000496761529 447890649 /nfs/dbraw/zinc/89/06/49/447890649.db2.gz WWUQMRHXKGHEBQ-CABCVRRESA-N 1 3 341.496 1.819 20 0 EDADHO O=C(NCC[C@H]1CC[NH2+]C1)NCC1CCN(c2ccncc2)CC1 ZINC000569912167 447915093 /nfs/dbraw/zinc/91/50/93/447915093.db2.gz YMKMDKJQWAOYMQ-OAHLLOKOSA-N 1 3 331.464 1.597 20 0 EDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201808 447963115 /nfs/dbraw/zinc/96/31/15/447963115.db2.gz ITKXQNVNPBYQPJ-RRFJBIMHSA-N 1 3 336.432 1.617 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000569947977 447926583 /nfs/dbraw/zinc/92/65/83/447926583.db2.gz QKDZJFUBSIRCJC-OAGGEKHMSA-N 1 3 339.528 1.027 20 0 EDADHO Cc1ccnn1-c1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530880745 447976137 /nfs/dbraw/zinc/97/61/37/447976137.db2.gz RYSDZUKRZIMOFG-UHFFFAOYSA-N 1 3 343.475 1.746 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)CCC2 ZINC000525885468 448047441 /nfs/dbraw/zinc/04/74/41/448047441.db2.gz DZZAQTPQWMXXNJ-UHFFFAOYSA-N 1 3 325.482 1.589 20 0 EDADHO CCSc1nnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000525885411 448047805 /nfs/dbraw/zinc/04/78/05/448047805.db2.gz KCIBCYITGSRGCE-UHFFFAOYSA-N 1 3 346.526 1.607 20 0 EDADHO CN(CC(=O)N1CCN(C(=O)CN(C)C(C)(C)C)CC1)C(C)(C)C ZINC000576462182 448060497 /nfs/dbraw/zinc/06/04/97/448060497.db2.gz PDQAUFLBQMUDNO-UHFFFAOYSA-N 1 3 340.512 1.118 20 0 EDADHO CN(CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)(C)C)CC1)C(C)(C)C ZINC000576462182 448060503 /nfs/dbraw/zinc/06/05/03/448060503.db2.gz PDQAUFLBQMUDNO-UHFFFAOYSA-N 1 3 340.512 1.118 20 0 EDADHO CN(CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1)C(C)(C)C ZINC000576462182 448060509 /nfs/dbraw/zinc/06/05/09/448060509.db2.gz PDQAUFLBQMUDNO-UHFFFAOYSA-N 1 3 340.512 1.118 20 0 EDADHO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000526041167 448085774 /nfs/dbraw/zinc/08/57/74/448085774.db2.gz WJPGDEUNZUZNED-GJZGRUSLSA-N 1 3 339.505 1.943 20 0 EDADHO O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCN2CCC1CC2 ZINC000526067461 448093098 /nfs/dbraw/zinc/09/30/98/448093098.db2.gz MSUCOAOAFRGPDW-KRWDZBQOSA-N 1 3 328.460 1.600 20 0 EDADHO O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CCN2CCC1CC2 ZINC000526067461 448093103 /nfs/dbraw/zinc/09/31/03/448093103.db2.gz MSUCOAOAFRGPDW-KRWDZBQOSA-N 1 3 328.460 1.600 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)OC[C@H]1CCCO1 ZINC000497054683 448161289 /nfs/dbraw/zinc/16/12/89/448161289.db2.gz MZNCEZFBWCPYKB-JKSUJKDBSA-N 1 3 327.469 1.650 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)OC[C@H]1CCCO1 ZINC000497054683 448161294 /nfs/dbraw/zinc/16/12/94/448161294.db2.gz MZNCEZFBWCPYKB-JKSUJKDBSA-N 1 3 327.469 1.650 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695792 448128667 /nfs/dbraw/zinc/12/86/67/448128667.db2.gz XBAKOCBALDZYCM-UNEWFSDZSA-N 1 3 347.459 1.241 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695792 448128676 /nfs/dbraw/zinc/12/86/76/448128676.db2.gz XBAKOCBALDZYCM-UNEWFSDZSA-N 1 3 347.459 1.241 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000571303873 448134610 /nfs/dbraw/zinc/13/46/10/448134610.db2.gz BZBSJBNOLRANRQ-NXHRZFHOSA-N 1 3 330.476 1.948 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000527058621 448150021 /nfs/dbraw/zinc/15/00/21/448150021.db2.gz MVMRIKGRNVBPCA-LJQANCHMSA-N 1 3 333.476 1.424 20 0 EDADHO CC[C@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000514679950 448185950 /nfs/dbraw/zinc/18/59/50/448185950.db2.gz SOQXLHATQINLQA-PBHICJAKSA-N 1 3 325.497 1.458 20 0 EDADHO CC[C@@H](NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)O ZINC000514679951 448186380 /nfs/dbraw/zinc/18/63/80/448186380.db2.gz SOQXLHATQINLQA-RHSMWYFYSA-N 1 3 325.497 1.458 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(n4ccnc4)C3)CC2)CC1 ZINC000514738983 448197842 /nfs/dbraw/zinc/19/78/42/448197842.db2.gz VQOUNOWODZQIGK-UHFFFAOYSA-N 1 3 345.491 1.463 20 0 EDADHO CC(C)NC(=O)NCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000571795062 448208252 /nfs/dbraw/zinc/20/82/52/448208252.db2.gz XWFLLNMSBGTVGY-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO O=C(NCCC1=CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000515004721 448240658 /nfs/dbraw/zinc/24/06/58/448240658.db2.gz CROLVDLTIPOAGS-UHFFFAOYSA-N 1 3 336.480 1.050 20 0 EDADHO C[C@H](CN(C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608747 448237752 /nfs/dbraw/zinc/23/77/52/448237752.db2.gz MGUWEWBBTMLPTK-OAHLLOKOSA-N 1 3 342.528 1.857 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1noc2ccccc12 ZINC000514871882 448219468 /nfs/dbraw/zinc/21/94/68/448219468.db2.gz SUEPMBRJIQSKSN-UHFFFAOYSA-N 1 3 333.436 1.463 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(CN(C)C)CCCC2)C[C@@H](C)O1 ZINC000577172977 448224213 /nfs/dbraw/zinc/22/42/13/448224213.db2.gz OQVYLAUUYSVPFB-ZACQAIPSSA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172977 448224214 /nfs/dbraw/zinc/22/42/14/448224214.db2.gz OQVYLAUUYSVPFB-ZACQAIPSSA-N 1 3 327.513 1.168 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)ccc1OCCN(C)C ZINC000577400307 448288970 /nfs/dbraw/zinc/28/89/70/448288970.db2.gz VOELUNOIWKBSEM-UKRRQHHQSA-N 1 3 335.448 1.250 20 0 EDADHO CCOC(=O)CCC1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC000591272416 448303368 /nfs/dbraw/zinc/30/33/68/448303368.db2.gz JNQKZWOBVFAWII-MRXNPFEDSA-N 1 3 339.480 1.239 20 0 EDADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000582797591 448344877 /nfs/dbraw/zinc/34/48/77/448344877.db2.gz VHRKXHBNQPMRNQ-QZTJIDSGSA-N 1 3 330.476 1.682 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000516025522 448370787 /nfs/dbraw/zinc/37/07/87/448370787.db2.gz HATMYXGAUPGBOQ-KBAYOESNSA-N 1 3 330.476 1.948 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC34CCOCC4)CC2)CC1 ZINC000578082706 448459165 /nfs/dbraw/zinc/45/91/65/448459165.db2.gz ZIYXAROTIOXRRN-SFHVURJKSA-N 1 3 349.519 1.868 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869602 448486937 /nfs/dbraw/zinc/48/69/37/448486937.db2.gz LVBDMINRBQOAJC-LJQANCHMSA-N 1 3 330.476 1.905 20 0 EDADHO CC(C)OC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000578358569 448527487 /nfs/dbraw/zinc/52/74/87/448527487.db2.gz FBIZDYGRSLPXKQ-RTBURBONSA-N 1 3 336.476 1.519 20 0 EDADHO CC(C)OC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000578358569 448527492 /nfs/dbraw/zinc/52/74/92/448527492.db2.gz FBIZDYGRSLPXKQ-RTBURBONSA-N 1 3 336.476 1.519 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cc(C)no3)CC2)CC1 ZINC000578521031 448568037 /nfs/dbraw/zinc/56/80/37/448568037.db2.gz KMLVSPYPMQSIJU-UHFFFAOYSA-N 1 3 348.491 1.838 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578546799 448577741 /nfs/dbraw/zinc/57/77/41/448577741.db2.gz PLJJWZAROFRMHZ-QGZVFWFLSA-N 1 3 331.460 1.081 20 0 EDADHO CN1CCC(O)(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578546799 448577748 /nfs/dbraw/zinc/57/77/48/448577748.db2.gz PLJJWZAROFRMHZ-QGZVFWFLSA-N 1 3 331.460 1.081 20 0 EDADHO N[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)C1 ZINC000573267050 448585256 /nfs/dbraw/zinc/58/52/56/448585256.db2.gz YJGUYUHEMWSTQC-DLBZAZTESA-N 1 3 332.496 1.238 20 0 EDADHO CC(=O)N1CCN(c2ccccc2CN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000573474375 448637841 /nfs/dbraw/zinc/63/78/41/448637841.db2.gz SMEOAHRHVBHOHM-WMZOPIPTSA-N 1 3 330.476 1.572 20 0 EDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000578872192 448658435 /nfs/dbraw/zinc/65/84/35/448658435.db2.gz SDJVYUGFJWRAIS-KDOFPFPSSA-N 1 3 331.460 1.827 20 0 EDADHO COC(=O)[C@@H]1CN([C@H](C)CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699386 /nfs/dbraw/zinc/69/93/86/448699386.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 1 3 340.464 1.247 20 0 EDADHO COC(=O)[C@@H]1CN([C@H](C)CC[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699388 /nfs/dbraw/zinc/69/93/88/448699388.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 1 3 340.464 1.247 20 0 EDADHO C[C@]1(C(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775632 448709372 /nfs/dbraw/zinc/70/93/72/448709372.db2.gz SYLLGTAZWILVCZ-HNAYVOBHSA-N 1 3 344.459 1.465 20 0 EDADHO NC(=O)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830836 448725403 /nfs/dbraw/zinc/72/54/03/448725403.db2.gz LFDRAPXYHGTXSF-BEFAXECRSA-N 1 3 329.444 1.878 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000567818963 448768397 /nfs/dbraw/zinc/76/83/97/448768397.db2.gz DUCOYKIYWVVQSO-UHFFFAOYSA-N 1 3 342.447 1.825 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000579582089 448825818 /nfs/dbraw/zinc/82/58/18/448825818.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 1 3 327.513 1.167 20 0 EDADHO C[C@H](CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000579582089 448825821 /nfs/dbraw/zinc/82/58/21/448825821.db2.gz KKXMTVMSOXFLOJ-DZVNLGKHSA-N 1 3 327.513 1.167 20 0 EDADHO CN1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccccc1 ZINC000520203840 448870837 /nfs/dbraw/zinc/87/08/37/448870837.db2.gz GKVOFDIFYZNPGW-ZNMIVQPWSA-N 1 3 338.402 1.728 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000520220139 448872234 /nfs/dbraw/zinc/87/22/34/448872234.db2.gz RQZVCMWZDLMGHL-SFHVURJKSA-N 1 3 339.911 1.859 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CNCCCO1 ZINC000568486961 448877734 /nfs/dbraw/zinc/87/77/34/448877734.db2.gz OAKFFWLDLPOAEZ-UONOGXRCSA-N 1 3 331.416 1.029 20 0 EDADHO C[C@@H](CCN1C(=O)c2ccccc2C1=O)NC[C@H]1C[NH2+]CCCO1 ZINC000568486961 448877740 /nfs/dbraw/zinc/87/77/40/448877740.db2.gz OAKFFWLDLPOAEZ-UONOGXRCSA-N 1 3 331.416 1.029 20 0 EDADHO CN(C)CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C1CCCC1 ZINC000592558234 448900625 /nfs/dbraw/zinc/90/06/25/448900625.db2.gz CWMWBFQHEUDCSC-AWEZNQCLSA-N 1 3 333.480 1.666 20 0 EDADHO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000568727721 448909033 /nfs/dbraw/zinc/90/90/33/448909033.db2.gz BQCVXOGTFYFCHW-UHFFFAOYSA-N 1 3 344.459 1.119 20 0 EDADHO COCC[N@H+](C)C[C@@H](O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000568880152 448935451 /nfs/dbraw/zinc/93/54/51/448935451.db2.gz NOQRAOBZOOUIPI-HKUYNNGSSA-N 1 3 348.487 1.609 20 0 EDADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000568880152 448935454 /nfs/dbraw/zinc/93/54/54/448935454.db2.gz NOQRAOBZOOUIPI-HKUYNNGSSA-N 1 3 348.487 1.609 20 0 EDADHO CC(C)OCCOC[C@@H](O)CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967439 448924053 /nfs/dbraw/zinc/92/40/53/448924053.db2.gz JTXYFXLIDJMPDI-IBGZPJMESA-N 1 3 336.476 1.567 20 0 EDADHO CC(C)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1CN)[NH+]1CCC(C)CC1 ZINC000574741344 448944127 /nfs/dbraw/zinc/94/41/27/448944127.db2.gz XBUUUOSSOZYPSV-DLBZAZTESA-N 1 3 339.528 1.027 20 0 EDADHO CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3N)cc2)CC1 ZINC000575038259 449018322 /nfs/dbraw/zinc/01/83/22/449018322.db2.gz FAOKNRGUEIWQOS-RTBURBONSA-N 1 3 344.503 1.824 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000522147388 449056106 /nfs/dbraw/zinc/05/61/06/449056106.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 1 3 349.475 1.212 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000522147388 449056109 /nfs/dbraw/zinc/05/61/09/449056109.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 1 3 349.475 1.212 20 0 EDADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C1CC1 ZINC000593129587 449147470 /nfs/dbraw/zinc/14/74/70/449147470.db2.gz JDSIBGYVXZDPPM-ZWKOTPCHSA-N 1 3 337.508 1.534 20 0 EDADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCN(C(C)C)CC2)C[C@H]1C1CC1 ZINC000593129587 449147472 /nfs/dbraw/zinc/14/74/72/449147472.db2.gz JDSIBGYVXZDPPM-ZWKOTPCHSA-N 1 3 337.508 1.534 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945829 449272158 /nfs/dbraw/zinc/27/21/58/449272158.db2.gz OOJICILKVAUYLT-SJORKVTESA-N 1 3 347.459 1.042 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595945829 449272165 /nfs/dbraw/zinc/27/21/65/449272165.db2.gz OOJICILKVAUYLT-SJORKVTESA-N 1 3 347.459 1.042 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCN2CCc3ccccc3C2)C1 ZINC000614066892 449441463 /nfs/dbraw/zinc/44/14/63/449441463.db2.gz LTWPTXOVKDNTDG-FQEVSTJZSA-N 1 3 345.487 1.350 20 0 EDADHO COC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000608446285 449842924 /nfs/dbraw/zinc/84/29/24/449842924.db2.gz XEYKVZKHRSBOEX-KRWDZBQOSA-N 1 3 340.512 1.515 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CC[N@@H+]1C ZINC000601437005 449959158 /nfs/dbraw/zinc/95/91/58/449959158.db2.gz MTDALZJEXJRBLD-ZJIFWQFVSA-N 1 3 325.522 1.755 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)CC[N@H+]1C ZINC000601437005 449959162 /nfs/dbraw/zinc/95/91/62/449959162.db2.gz MTDALZJEXJRBLD-ZJIFWQFVSA-N 1 3 325.522 1.755 20 0 EDADHO CC(C)N1CCN([C@@H]2CC[N@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340348 450054327 /nfs/dbraw/zinc/05/43/27/450054327.db2.gz RTJIDLKBTBVOLT-GUDVDZBRSA-N 1 3 338.540 1.196 20 0 EDADHO CC(C)N1CCN([C@@H]2CC[N@@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340348 450054329 /nfs/dbraw/zinc/05/43/29/450054329.db2.gz RTJIDLKBTBVOLT-GUDVDZBRSA-N 1 3 338.540 1.196 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267120 /nfs/dbraw/zinc/26/71/20/450267120.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267124 /nfs/dbraw/zinc/26/71/24/450267124.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 1 3 336.524 1.537 20 0 EDADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000619893438 450358702 /nfs/dbraw/zinc/35/87/02/450358702.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 1 3 330.476 1.894 20 0 EDADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000619893438 450358708 /nfs/dbraw/zinc/35/87/08/450358708.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 1 3 330.476 1.894 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625836091 450518574 /nfs/dbraw/zinc/51/85/74/450518574.db2.gz SXDSGTYYYQYVED-LJQANCHMSA-N 1 3 339.524 1.896 20 0 EDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915181 450560608 /nfs/dbraw/zinc/56/06/08/450560608.db2.gz DRPORUKJEMCKEO-BBWFWOEESA-N 1 3 337.508 1.961 20 0 EDADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000629519471 450723360 /nfs/dbraw/zinc/72/33/60/450723360.db2.gz AHFXYEYYVUGHGW-LBPRGKRZSA-N 1 3 327.450 1.217 20 0 EDADHO COCCOc1ccc([C@H](C)[NH2+]CC2(N)CCOCC2)cc1OC ZINC000629520651 450723556 /nfs/dbraw/zinc/72/35/56/450723556.db2.gz HHHOHODZAOJSPG-AWEZNQCLSA-N 1 3 338.448 1.879 20 0 EDADHO O=C(c1ccccc1)N1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629564439 450739107 /nfs/dbraw/zinc/73/91/07/450739107.db2.gz KJMBEXSVMOJCHF-IBGZPJMESA-N 1 3 345.487 1.585 20 0 EDADHO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)CCCN1CCCC1 ZINC000631946723 450904756 /nfs/dbraw/zinc/90/47/56/450904756.db2.gz IKXPTOOXEGSDPI-QGZVFWFLSA-N 1 3 337.489 1.360 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000635502639 450996976 /nfs/dbraw/zinc/99/69/76/450996976.db2.gz JIBXVPUUKHMKQO-UHFFFAOYSA-N 1 3 348.369 1.371 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000627008268 451072853 /nfs/dbraw/zinc/07/28/53/451072853.db2.gz FPRHHFNTFQGIBP-UHFFFAOYSA-N 1 3 349.479 1.175 20 0 EDADHO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635664848 451149918 /nfs/dbraw/zinc/14/99/18/451149918.db2.gz DXNPSCVKXLAXIC-SFHVURJKSA-N 1 3 337.508 1.963 20 0 EDADHO COC1CCN(CCNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634006183 451149862 /nfs/dbraw/zinc/14/98/62/451149862.db2.gz JEBDRRWRPFAOMN-UHFFFAOYSA-N 1 3 326.485 1.448 20 0 EDADHO CCC1([NH+](C)C)CCN(C(=O)c2ccnc(OCCN(C)C)c2)CC1 ZINC000634123831 451199491 /nfs/dbraw/zinc/19/94/91/451199491.db2.gz YADKJTVRZKMXCE-UHFFFAOYSA-N 1 3 348.491 1.968 20 0 EDADHO C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000635787686 451239520 /nfs/dbraw/zinc/23/95/20/451239520.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 1 3 331.460 1.211 20 0 EDADHO C[N@H+]1CC[C@H](CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000635787686 451239524 /nfs/dbraw/zinc/23/95/24/451239524.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 1 3 331.460 1.211 20 0 EDADHO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000640324624 451254501 /nfs/dbraw/zinc/25/45/01/451254501.db2.gz UJPSZHOFBRNKNR-KRWDZBQOSA-N 1 3 346.475 1.179 20 0 EDADHO COCCOCCN(C)CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000635920294 451365383 /nfs/dbraw/zinc/36/53/83/451365383.db2.gz BIASXSDMVKZZPP-SJORKVTESA-N 1 3 341.496 1.057 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000635927432 451370124 /nfs/dbraw/zinc/37/01/24/451370124.db2.gz NOFUHVYPLMJVCO-SJORKVTESA-N 1 3 341.496 1.057 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1 ZINC000638304330 451418856 /nfs/dbraw/zinc/41/88/56/451418856.db2.gz FMZBOSTYHTTWEF-LJHODMEESA-N 1 3 346.475 1.490 20 0 EDADHO [NH3+]C[C@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367455 451465504 /nfs/dbraw/zinc/46/55/04/451465504.db2.gz OSHIZHWFOVRCEV-NLWGTHIKSA-N 1 3 343.471 1.475 20 0 EDADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N(C)C ZINC000638410558 451497491 /nfs/dbraw/zinc/49/74/91/451497491.db2.gz GHMGAZKLNMVTTD-WQVCFCJDSA-N 1 3 325.403 1.867 20 0 EDADHO Cc1cccc(OC[C@@H](O)CNC2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638417485 451502695 /nfs/dbraw/zinc/50/26/95/451502695.db2.gz CLUKWEQIPKCGBV-KRWDZBQOSA-N 1 3 336.476 1.560 20 0 EDADHO CCN1CCC[C@@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837730 451545494 /nfs/dbraw/zinc/54/54/94/451545494.db2.gz UEIGCSQNRJTHKE-MRXNPFEDSA-N 1 3 334.468 1.756 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000636988486 451663930 /nfs/dbraw/zinc/66/39/30/451663930.db2.gz JYIHDXWNAKHCOW-RDJZCZTQSA-N 1 3 334.464 1.739 20 0 EDADHO CO[C@H](CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000638747103 451673635 /nfs/dbraw/zinc/67/36/35/451673635.db2.gz AIIUTYGBBDZMSA-GUDVDZBRSA-N 1 3 340.508 1.786 20 0 EDADHO N[C@H](Cc1ccccc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780602 451688478 /nfs/dbraw/zinc/68/84/78/451688478.db2.gz TZUUPRLNQJBUNA-QZTJIDSGSA-N 1 3 331.460 1.174 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000638876542 451716208 /nfs/dbraw/zinc/71/62/08/451716208.db2.gz JISFQJOJLDNLBK-GPMSIDNRSA-N 1 3 333.476 1.595 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639025906 451754173 /nfs/dbraw/zinc/75/41/73/451754173.db2.gz VFSIMMYEZZJXMF-SJORKVTESA-N 1 3 335.492 1.622 20 0 EDADHO O=C(CC1(N2CCOCC2)CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639025904 451754191 /nfs/dbraw/zinc/75/41/91/451754191.db2.gz VFSIMMYEZZJXMF-IAGOWNOFSA-N 1 3 335.492 1.622 20 0 EDADHO CN(C)CCn1cc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cn1 ZINC000639063932 451760445 /nfs/dbraw/zinc/76/04/45/451760445.db2.gz LACKCOVUBKANQG-CQSZACIVSA-N 1 3 327.432 1.538 20 0 EDADHO Cn1cc([C@H]2OCCC[C@@H]2NC2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639080140 451764094 /nfs/dbraw/zinc/76/40/94/451764094.db2.gz POFNJWOQJSQJPB-DLBZAZTESA-N 1 3 336.480 1.465 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000641174804 451769367 /nfs/dbraw/zinc/76/93/67/451769367.db2.gz VMJUQJKKRBLJDT-UHFFFAOYSA-N 1 3 328.460 1.965 20 0 EDADHO CC[C@]1(O)CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1 ZINC000637265475 451774684 /nfs/dbraw/zinc/77/46/84/451774684.db2.gz QOOGRNVFGXOSMT-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@]1(O)CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1 ZINC000637265475 451774686 /nfs/dbraw/zinc/77/46/86/451774686.db2.gz QOOGRNVFGXOSMT-RDJZCZTQSA-N 1 3 328.501 1.205 20 0 EDADHO Cn1c2ccccc2cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1=O ZINC000639201747 451791106 /nfs/dbraw/zinc/79/11/06/451791106.db2.gz ZUBUMAQNFDKTMW-UHFFFAOYSA-N 1 3 343.471 1.863 20 0 EDADHO COc1ccc([C@@H](CO)CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639259980 451800011 /nfs/dbraw/zinc/80/00/11/451800011.db2.gz YRTKXCOALVFGJV-MRXNPFEDSA-N 1 3 336.476 1.596 20 0 EDADHO O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CCN1C1CCCCC1 ZINC000637373780 451805599 /nfs/dbraw/zinc/80/55/99/451805599.db2.gz RSJBOWRROXGCMO-QGZVFWFLSA-N 1 3 331.464 1.622 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000642440141 451879699 /nfs/dbraw/zinc/87/96/99/451879699.db2.gz XCSJBHOFWIWIOK-RHSMWYFYSA-N 1 3 346.475 1.313 20 0 EDADHO O[C@H](CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601521 451887428 /nfs/dbraw/zinc/88/74/28/451887428.db2.gz RTHYWPWUDAXOPL-OTWHNJEPSA-N 1 3 336.451 1.697 20 0 EDADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC1C[NH2+]C1 ZINC000646901863 451920952 /nfs/dbraw/zinc/92/09/52/451920952.db2.gz QXZUDLQVIQYKCO-OAHLLOKOSA-N 1 3 331.460 1.889 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000637518642 451921603 /nfs/dbraw/zinc/92/16/03/451921603.db2.gz JSNHLCNDXGUGIH-XYPHTWIQSA-N 1 3 334.464 1.567 20 0 EDADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(N)CCN(C)C1 ZINC000649290795 451965757 /nfs/dbraw/zinc/96/57/57/451965757.db2.gz SWIBNKDAAYVINK-LJQANCHMSA-N 1 3 348.491 1.056 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)CN2CCCC[C@@H](N)C2=O)[NH+](C)C)cc1 ZINC000649302950 451979517 /nfs/dbraw/zinc/97/95/17/451979517.db2.gz IQDOFNJNEYBRFB-IAGOWNOFSA-N 1 3 346.475 1.054 20 0 EDADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)N2CCCC2)cc1 ZINC000649309886 451987630 /nfs/dbraw/zinc/98/76/30/451987630.db2.gz HVOUITIUMACSHG-ROUUACIJSA-N 1 3 331.460 1.484 20 0 EDADHO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCN(CCc2ccccn2)CC1 ZINC000649311705 451989726 /nfs/dbraw/zinc/98/97/26/451989726.db2.gz GZKXXSADDYZMIB-QFBILLFUSA-N 1 3 344.503 1.922 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646990021 451990113 /nfs/dbraw/zinc/99/01/13/451990113.db2.gz GFNUJKIARNDALX-QGZVFWFLSA-N 1 3 325.416 1.341 20 0 EDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000649313818 451993253 /nfs/dbraw/zinc/99/32/53/451993253.db2.gz YPQHQOFRNQLNGY-NUEKZKHPSA-N 1 3 344.459 1.320 20 0 EDADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009926 452003149 /nfs/dbraw/zinc/00/31/49/452003149.db2.gz KUIBGPLGDCELAH-KZNAEPCWSA-N 1 3 330.476 1.879 20 0 EDADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CCN(C)C2)CC1 ZINC000649323652 452003289 /nfs/dbraw/zinc/00/32/89/452003289.db2.gz MFOHWDXONRZZAJ-DNVCBOLYSA-N 1 3 330.476 1.361 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@@H](N)C1=O ZINC000649343246 452022921 /nfs/dbraw/zinc/02/29/21/452022921.db2.gz RLILYZUGIDUCRL-OAHLLOKOSA-N 1 3 332.448 1.335 20 0 EDADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000637723869 452047971 /nfs/dbraw/zinc/04/79/71/452047971.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCCN(C)CC3)C2)cc1 ZINC000637723869 452047977 /nfs/dbraw/zinc/04/79/77/452047977.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000637723869 452047984 /nfs/dbraw/zinc/04/79/84/452047984.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 1 3 330.476 1.916 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[N@H+](C)CC3)C2)cc1 ZINC000637723869 452047991 /nfs/dbraw/zinc/04/79/91/452047991.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 1 3 330.476 1.916 20 0 EDADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076299 /nfs/dbraw/zinc/07/62/99/452076299.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO CN1CCC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076306 /nfs/dbraw/zinc/07/63/06/452076306.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 1 3 342.487 1.997 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccnn2-c2ccccn2)CC1 ZINC000647192183 452117684 /nfs/dbraw/zinc/11/76/84/452117684.db2.gz UNMNDMZNSJOLLF-UHFFFAOYSA-N 1 3 329.448 1.592 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1 ZINC000647246889 452144026 /nfs/dbraw/zinc/14/40/26/452144026.db2.gz SPRGXVBEIJYOMA-IBGZPJMESA-N 1 3 336.476 1.894 20 0 EDADHO C[N@@H+]1CCC[C@@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610693 452165991 /nfs/dbraw/zinc/16/59/91/452165991.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 1 3 342.531 1.973 20 0 EDADHO C[N@H+]1CCC[C@@H]1CN1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000649610693 452165994 /nfs/dbraw/zinc/16/59/94/452165994.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 1 3 342.531 1.973 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000641773236 452245878 /nfs/dbraw/zinc/24/58/78/452245878.db2.gz XCAHFQDBJLLOMQ-QGZVFWFLSA-N 1 3 337.464 1.567 20 0 EDADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H]1CCOc2ccccc21 ZINC000647539467 452270323 /nfs/dbraw/zinc/27/03/23/452270323.db2.gz DWDKAIHYRFMQIO-JKSUJKDBSA-N 1 3 331.460 1.872 20 0 EDADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643533804 452297424 /nfs/dbraw/zinc/29/74/24/452297424.db2.gz FDXVDPFQSOCPLN-CZUORRHYSA-N 1 3 337.489 1.730 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1(C)C ZINC000665763789 452348684 /nfs/dbraw/zinc/34/86/84/452348684.db2.gz LTNMLLAVMPUYOT-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1(C)C ZINC000665763789 452348693 /nfs/dbraw/zinc/34/86/93/452348693.db2.gz LTNMLLAVMPUYOT-JKSUJKDBSA-N 1 3 342.528 1.715 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000665764129 452350054 /nfs/dbraw/zinc/35/00/54/452350054.db2.gz VTJQDZBWAKROMI-JKSUJKDBSA-N 1 3 342.528 1.451 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC[C@@H](O)CC(C)(C)C1 ZINC000665764129 452350058 /nfs/dbraw/zinc/35/00/58/452350058.db2.gz VTJQDZBWAKROMI-JKSUJKDBSA-N 1 3 342.528 1.451 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@@H](CC)CO1 ZINC000665763974 452350369 /nfs/dbraw/zinc/35/03/69/452350369.db2.gz QLIPEZHBWSAALJ-YESZJQIVSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@@H](CC)CO1 ZINC000665763974 452350372 /nfs/dbraw/zinc/35/03/72/452350372.db2.gz QLIPEZHBWSAALJ-YESZJQIVSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CCN1Cc1ccccc1 ZINC000659492569 452355428 /nfs/dbraw/zinc/35/54/28/452355428.db2.gz GKZHLBSFCNRRCY-HCMQPCSISA-N 1 3 328.460 1.782 20 0 EDADHO [NH3+]C[C@]1(C(=O)NC2CCN(CCc3ccccc3)CC2)CCCOC1 ZINC000638062870 452357969 /nfs/dbraw/zinc/35/79/69/452357969.db2.gz JFNAZZULEPAFJO-HXUWFJFHSA-N 1 3 345.487 1.565 20 0 EDADHO COC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCCCN1 ZINC000638081619 452397802 /nfs/dbraw/zinc/39/78/02/452397802.db2.gz AZOSQDYIJBNRQM-YJBOKZPZSA-N 1 3 325.497 1.772 20 0 EDADHO COC[C@]1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCCCN1 ZINC000638081619 452397810 /nfs/dbraw/zinc/39/78/10/452397810.db2.gz AZOSQDYIJBNRQM-YJBOKZPZSA-N 1 3 325.497 1.772 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCOC1 ZINC000638081299 452399317 /nfs/dbraw/zinc/39/93/17/452399317.db2.gz WZWSYJBRODXYQY-QUCCMNQESA-N 1 3 345.487 1.913 20 0 EDADHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663692772 452430095 /nfs/dbraw/zinc/43/00/95/452430095.db2.gz IKZDOFAHBCNNPD-IRXDYDNUSA-N 1 3 342.528 1.715 20 0 EDADHO CN1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578543 452433873 /nfs/dbraw/zinc/43/38/73/452433873.db2.gz DKZNHKLWNYJWGX-WJFTUGDTSA-N 1 3 342.487 1.868 20 0 EDADHO CN(C(=O)CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345574 452520752 /nfs/dbraw/zinc/52/07/52/452520752.db2.gz GBYOZTZOECNFTI-LZLYRXPVSA-N 1 3 337.508 1.996 20 0 EDADHO CCO[C@@H]1CN(CCC(=O)N2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000652357031 452534305 /nfs/dbraw/zinc/53/43/05/452534305.db2.gz XPYDSZLLSREDKL-HUUCEWRRSA-N 1 3 337.489 1.319 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1cc[nH]c2=O ZINC000640227316 452535115 /nfs/dbraw/zinc/53/51/15/452535115.db2.gz AMPWLPOIXRCTPD-UHFFFAOYSA-N 1 3 345.447 1.898 20 0 EDADHO Cn1cc(N2CCC[C@H](NC3CC[NH+](CC(C)(C)O)CC3)C2)cn1 ZINC000647909571 452649262 /nfs/dbraw/zinc/64/92/62/452649262.db2.gz YINCLNFOJFQSKR-INIZCTEOSA-N 1 3 335.496 1.214 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000666184139 452668014 /nfs/dbraw/zinc/66/80/14/452668014.db2.gz WXZOJJLRHPNJSC-OAHLLOKOSA-N 1 3 336.484 1.687 20 0 EDADHO [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655958757 452738928 /nfs/dbraw/zinc/73/89/28/452738928.db2.gz OPFWBZFGXITVKT-HZPDHXFCSA-N 1 3 330.432 1.217 20 0 EDADHO C[C@H](CCNC(=O)NCC1(N(C)C)Cc2ccccc2C1)[NH+](C)C ZINC000664211449 452885125 /nfs/dbraw/zinc/88/51/25/452885125.db2.gz OJKBOJAFBYCCIT-OAHLLOKOSA-N 1 3 332.492 1.725 20 0 EDADHO COCCCn1nccc1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708370 452945701 /nfs/dbraw/zinc/94/57/01/452945701.db2.gz YUSWIQXIWFUNMC-XYJFISCASA-N 1 3 336.480 1.638 20 0 EDADHO COCCOCCN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258862 452988418 /nfs/dbraw/zinc/98/84/18/452988418.db2.gz MXADHWYUBFZFDV-GOSISDBHSA-N 1 3 334.460 1.673 20 0 EDADHO CN(CCN(C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139420 453070146 /nfs/dbraw/zinc/07/01/46/453070146.db2.gz VHOJHENOQOXKEB-BPQIPLTHSA-N 1 3 336.524 1.392 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000666770488 453133111 /nfs/dbraw/zinc/13/31/11/453133111.db2.gz CSKNONQEWOKFLF-MRXNPFEDSA-N 1 3 344.459 1.335 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428541 453134922 /nfs/dbraw/zinc/13/49/22/453134922.db2.gz FMLFGYPSIAYTEO-CABCVRRESA-N 1 3 333.480 1.871 20 0 EDADHO NCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000666832371 453178411 /nfs/dbraw/zinc/17/84/11/453178411.db2.gz YLAFICNLCUCQLF-INIZCTEOSA-N 1 3 344.459 1.418 20 0 EDADHO [NH3+][C@@H](Cc1cn(CCCN2CCSCC2)nn1)Cc1ccccc1 ZINC000656450098 453193054 /nfs/dbraw/zinc/19/30/54/453193054.db2.gz LSKAPWJMAGSKIO-QGZVFWFLSA-N 1 3 345.516 1.830 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CCO[C@@H](C)C1 ZINC000664571537 453205900 /nfs/dbraw/zinc/20/59/00/453205900.db2.gz CEFNDFGVURBQPV-JYJNAYRXSA-N 1 3 328.501 1.373 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646223320 453234870 /nfs/dbraw/zinc/23/48/70/453234870.db2.gz GJRYVRAFUBEXOA-LJQANCHMSA-N 1 3 345.487 1.859 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666978308 453298261 /nfs/dbraw/zinc/29/82/61/453298261.db2.gz WJVBGVXJAPNMOI-SJORKVTESA-N 1 3 338.496 1.364 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC000666978308 453298270 /nfs/dbraw/zinc/29/82/70/453298270.db2.gz WJVBGVXJAPNMOI-SJORKVTESA-N 1 3 338.496 1.364 20 0 EDADHO CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC000653117766 453307106 /nfs/dbraw/zinc/30/71/06/453307106.db2.gz VMJXYSITMIRAHN-SFHVURJKSA-N 1 3 332.492 1.388 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CN1Cc1ccccc1 ZINC000653122341 453312456 /nfs/dbraw/zinc/31/24/56/453312456.db2.gz UFWUDDOHOLGGGD-XZKMEQPCSA-N 1 3 329.444 1.002 20 0 EDADHO COC1CCN(CCNC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000651192957 453342970 /nfs/dbraw/zinc/34/29/70/453342970.db2.gz GXGQKBPUHNSZEB-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO COC1CCN(CCNC(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000651192957 453342980 /nfs/dbraw/zinc/34/29/80/453342980.db2.gz GXGQKBPUHNSZEB-UHFFFAOYSA-N 1 3 328.501 1.374 20 0 EDADHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653156272 453347695 /nfs/dbraw/zinc/34/76/95/453347695.db2.gz WSBRCTWNWZIBNP-OALUTQOASA-N 1 3 345.487 1.783 20 0 EDADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653168461 453360274 /nfs/dbraw/zinc/36/02/74/453360274.db2.gz BLDNMXXFCNJUOO-GOSISDBHSA-N 1 3 347.507 1.426 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000662658213 453370622 /nfs/dbraw/zinc/37/06/22/453370622.db2.gz CFSIYYHNHXKZJY-QZTJIDSGSA-N 1 3 331.460 1.140 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CNCCO2)C1 ZINC000662658213 453370628 /nfs/dbraw/zinc/37/06/28/453370628.db2.gz CFSIYYHNHXKZJY-QZTJIDSGSA-N 1 3 331.460 1.140 20 0 EDADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000662699387 453420511 /nfs/dbraw/zinc/42/05/11/453420511.db2.gz QDVMLOISKKZFLA-IMJJTQAJSA-N 1 3 337.489 1.440 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709515 453431552 /nfs/dbraw/zinc/43/15/52/453431552.db2.gz SLXRCDLAQUQZOL-DLBZAZTESA-N 1 3 335.423 1.238 20 0 EDADHO Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)n(C2CCN(C)CC2)n1 ZINC000667176512 453453729 /nfs/dbraw/zinc/45/37/29/453453729.db2.gz OWQYLJJCOITZLJ-AWEZNQCLSA-N 1 3 334.468 1.722 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493348 /nfs/dbraw/zinc/49/33/48/453493348.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 1 3 329.510 1.076 20 0 EDADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000660655866 453493356 /nfs/dbraw/zinc/49/33/56/453493356.db2.gz JHWPKTLDYWTTFL-HZPDHXFCSA-N 1 3 329.510 1.076 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662778262 453512889 /nfs/dbraw/zinc/51/28/89/453512889.db2.gz ZEKAYDVHBQRDOW-AWEZNQCLSA-N 1 3 331.313 1.952 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662779048 453514868 /nfs/dbraw/zinc/51/48/68/453514868.db2.gz HSSISXAUINSBDA-AWEZNQCLSA-N 1 3 329.322 1.649 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445689 453531511 /nfs/dbraw/zinc/53/15/11/453531511.db2.gz ISKDTZBNNGDMGG-QFBILLFUSA-N 1 3 331.460 1.633 20 0 EDADHO OC[C@]1(O)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656909512 453544326 /nfs/dbraw/zinc/54/43/26/453544326.db2.gz WJHLMGJIFQRMJR-IBGZPJMESA-N 1 3 334.460 1.480 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750105 453559806 /nfs/dbraw/zinc/55/98/06/453559806.db2.gz AQLQVVIHELZUTI-FGTMMUONSA-N 1 3 336.524 1.251 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCN([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750105 453559811 /nfs/dbraw/zinc/55/98/11/453559811.db2.gz AQLQVVIHELZUTI-FGTMMUONSA-N 1 3 336.524 1.251 20 0 EDADHO CC[C@@]1(C(=O)NCC2CCN(Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662860090 453574831 /nfs/dbraw/zinc/57/48/31/453574831.db2.gz VGHJVTAQFYOYPF-IBGZPJMESA-N 1 3 330.476 1.942 20 0 EDADHO [NH3+]Cc1ccc(C(=O)NCc2ccc(CN3CC[C@H](O)C3)cc2)cc1 ZINC000662860708 453576765 /nfs/dbraw/zinc/57/67/65/453576765.db2.gz UOHSUUZLGJXBHQ-IBGZPJMESA-N 1 3 339.439 1.642 20 0 EDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236409 453619054 /nfs/dbraw/zinc/61/90/54/453619054.db2.gz LZCUQVYRLIMKIN-MNOVXSKESA-N 1 3 327.226 1.043 20 0 EDADHO CCOc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@H](C)C[C@H]2COCCN2)cc1 ZINC000665255038 453626694 /nfs/dbraw/zinc/62/66/94/453626694.db2.gz HINPMGAAKVRLDW-LQJIQPLVSA-N 1 3 347.503 1.887 20 0 EDADHO CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@H]2COCCN2)cc1 ZINC000665255038 453626699 /nfs/dbraw/zinc/62/66/99/453626699.db2.gz HINPMGAAKVRLDW-LQJIQPLVSA-N 1 3 347.503 1.887 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104257 453637077 /nfs/dbraw/zinc/63/70/77/453637077.db2.gz ZFFIJOKIRUJBBR-INIZCTEOSA-N 1 3 332.448 1.335 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1 ZINC000665363870 453668591 /nfs/dbraw/zinc/66/85/91/453668591.db2.gz DNPFXIMCRHELQL-HNNXBMFYSA-N 1 3 340.512 1.394 20 0 EDADHO C[C@H](O)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307932 486651124 /nfs/dbraw/zinc/65/11/24/486651124.db2.gz ZDFUYPBYBPJOFV-IRXDYDNUSA-N 1 3 335.492 1.514 20 0 EDADHO CN(C)CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000683436568 486718320 /nfs/dbraw/zinc/71/83/20/486718320.db2.gz LUZADRUDFKSBPZ-UHFFFAOYSA-N 1 3 333.476 1.581 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCSc2ccc(F)cc2)C1 ZINC000387736722 486815430 /nfs/dbraw/zinc/81/54/30/486815430.db2.gz WEFKGDURTKWPDQ-ZDUSSCGKSA-N 1 3 325.453 1.705 20 0 EDADHO Cc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)c(=O)n1C ZINC000683776421 486815771 /nfs/dbraw/zinc/81/57/71/486815771.db2.gz KYUQBKSPFNYDSY-UHFFFAOYSA-N 1 3 329.444 1.924 20 0 EDADHO CN(CCCc1nc(-c2cccs2)no1)CCN1CC[NH2+]CC1 ZINC000320752977 486957873 /nfs/dbraw/zinc/95/78/73/486957873.db2.gz QTVPWOOORZJXSA-UHFFFAOYSA-N 1 3 335.477 1.568 20 0 EDADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673512682 487031630 /nfs/dbraw/zinc/03/16/30/487031630.db2.gz MAFLENLQXROBCX-RBUKOAKNSA-N 1 3 343.471 1.564 20 0 EDADHO C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3CCN(CC4CC4)C3)C2)CC1 ZINC000677332253 487046169 /nfs/dbraw/zinc/04/61/69/487046169.db2.gz ARDSVRYRJUIJCP-ROUUACIJSA-N 1 3 334.508 1.844 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640685 487073989 /nfs/dbraw/zinc/07/39/89/487073989.db2.gz JTFKPAFEXKCTTQ-HBFSDRIKSA-N 1 3 343.471 1.366 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640685 487073994 /nfs/dbraw/zinc/07/39/94/487073994.db2.gz JTFKPAFEXKCTTQ-HBFSDRIKSA-N 1 3 343.471 1.366 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NCCN2CCC(OC)CC2)CC1 ZINC000674332080 487238804 /nfs/dbraw/zinc/23/88/04/487238804.db2.gz LWIRSSRVRKSSPI-UHFFFAOYSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc(OCCN(C)C)c1 ZINC000682498896 487377054 /nfs/dbraw/zinc/37/70/54/487377054.db2.gz QIRDXZAXVUNCNM-CQSZACIVSA-N 1 3 340.489 1.712 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2-n2cncn2)CC1 ZINC000675486096 487413133 /nfs/dbraw/zinc/41/31/33/487413133.db2.gz OURLSYBFWCAUKX-UHFFFAOYSA-N 1 3 329.448 1.592 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)CCO1 ZINC000669545916 485533945 /nfs/dbraw/zinc/53/39/45/485533945.db2.gz YIKPMJQTKYCSHB-PQEBFOHHSA-N 1 3 332.448 1.189 20 0 EDADHO C[NH2+][C@@H]1CCCN(C(=O)NCC2CCN(c3ccncc3)CC2)C1 ZINC000669550982 485545567 /nfs/dbraw/zinc/54/55/67/485545567.db2.gz ZPVCTZLCZUKCDL-MRXNPFEDSA-N 1 3 331.464 1.691 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000669583440 485632110 /nfs/dbraw/zinc/63/21/10/485632110.db2.gz BLNIFYFBYLUJFU-ONIAQPFYSA-N 1 3 348.491 1.744 20 0 EDADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451548 485770606 /nfs/dbraw/zinc/77/06/06/485770606.db2.gz JVEYNBFJKBEMAJ-KRWDZBQOSA-N 1 3 329.448 1.741 20 0 EDADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451548 485770610 /nfs/dbraw/zinc/77/06/10/485770610.db2.gz JVEYNBFJKBEMAJ-KRWDZBQOSA-N 1 3 329.448 1.741 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451548 485770616 /nfs/dbraw/zinc/77/06/16/485770616.db2.gz JVEYNBFJKBEMAJ-KRWDZBQOSA-N 1 3 329.448 1.741 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236996127 485950141 /nfs/dbraw/zinc/95/01/41/485950141.db2.gz KMEBURLFPIRYHS-KRWDZBQOSA-N 1 3 330.476 1.700 20 0 EDADHO [NH3+]C1CCC(NC(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000669389709 486025823 /nfs/dbraw/zinc/02/58/23/486025823.db2.gz ZZOSMNWDJGAAAM-UHFFFAOYSA-N 1 3 340.537 1.917 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)CC[C@@H]1[NH3+] ZINC000669400977 486065247 /nfs/dbraw/zinc/06/52/47/486065247.db2.gz SUTLCPDNVHTLPP-SQNIBIBYSA-N 1 3 332.492 1.928 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669498377 486274313 /nfs/dbraw/zinc/27/43/13/486274313.db2.gz KAMGEAWHAABFHY-DLBZAZTESA-N 1 3 340.512 1.376 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000092217888 491202791 /nfs/dbraw/zinc/20/27/91/491202791.db2.gz NDHZSVLPYNGTPF-LJQANCHMSA-N 1 3 347.503 1.924 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000164548934 534812896 /nfs/dbraw/zinc/81/28/96/534812896.db2.gz YBWJVLYIBWZEDG-IBGZPJMESA-N 1 3 345.487 1.844 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCC[NH+]2CCCCCC2)C1(C)C ZINC000188032843 527875057 /nfs/dbraw/zinc/87/50/57/527875057.db2.gz CAKLAPNLYWEKFT-CRAIPNDOSA-N 1 3 325.497 1.901 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733507 527877453 /nfs/dbraw/zinc/87/74/53/527877453.db2.gz SDWULZHADOHLQF-VQIMIIECSA-N 1 3 333.476 1.897 20 0 EDADHO CCCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 ZINC000236821819 535045459 /nfs/dbraw/zinc/04/54/59/535045459.db2.gz GBOIZOWTGZTESX-IBGZPJMESA-N 1 3 346.519 1.958 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339618303 535062816 /nfs/dbraw/zinc/06/28/16/535062816.db2.gz HJDNBBLFWDXDBG-UHFFFAOYSA-N 1 3 340.512 1.166 20 0 EDADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)CC(N)=O)cc1OC ZINC000267293281 535553886 /nfs/dbraw/zinc/55/38/86/535553886.db2.gz YKUZDIMONZKQNE-AWEZNQCLSA-N 1 3 337.464 1.769 20 0 EDADHO CCN1CCC[C@@H]1CN1C[C@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902962 535555336 /nfs/dbraw/zinc/55/53/36/535555336.db2.gz YTDZVUFHKILHFW-MGPQQGTHSA-N 1 3 335.452 1.020 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679705 /nfs/dbraw/zinc/67/97/05/535679705.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 1 3 336.524 1.204 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679707 /nfs/dbraw/zinc/67/97/07/535679707.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 1 3 336.524 1.204 20 0 EDADHO C[N@H+](CCC(=O)N1CCNCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000262105929 536303518 /nfs/dbraw/zinc/30/35/18/536303518.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO C[N@@H+](CCC(=O)N1CCNCC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000262105929 536303520 /nfs/dbraw/zinc/30/35/20/536303520.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CN(CCC(=O)N1CCNCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262105929 536303523 /nfs/dbraw/zinc/30/35/23/536303523.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CN(CCC(=O)N1CCNCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262105929 536303526 /nfs/dbraw/zinc/30/35/26/536303526.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)C1 ZINC000333314313 536393277 /nfs/dbraw/zinc/39/32/77/536393277.db2.gz MBORKCPPNMVQRM-KXBFYZLASA-N 1 3 343.475 1.847 20 0 EDADHO CCC[C@H]1[C@@H](C)CCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380093 579478387 /nfs/dbraw/zinc/47/83/87/579478387.db2.gz FBWTXCFYPUWRBS-GJZGRUSLSA-N 1 3 336.480 1.861 20 0 EDADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734280480 578805033 /nfs/dbraw/zinc/80/50/33/578805033.db2.gz LMSKKZCPFODDRG-NVXWUHKLSA-N 1 3 336.480 1.166 20 0 EDADHO CC[NH+](CC)CCNC(=O)NC1CCN(C[C@H]2CCCO2)CC1 ZINC000734264958 578805395 /nfs/dbraw/zinc/80/53/95/578805395.db2.gz OGTMNEFBTFRATN-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)N1[C@H](C)CC[C@@H]1C ZINC000780947172 580538494 /nfs/dbraw/zinc/53/84/94/580538494.db2.gz SMRJGRMJEZTNIX-BQULAQKPSA-N 1 3 337.508 1.958 20 0 EDADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792413 580679410 /nfs/dbraw/zinc/67/94/10/580679410.db2.gz IFCOPAMNKBYVQS-OAHLLOKOSA-N 1 3 334.464 1.835 20 0 EDADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792413 580679411 /nfs/dbraw/zinc/67/94/11/580679411.db2.gz IFCOPAMNKBYVQS-OAHLLOKOSA-N 1 3 334.464 1.835 20 0 EDADHO CSC1(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CCN(C)CC1 ZINC000891907690 590683050 /nfs/dbraw/zinc/68/30/50/590683050.db2.gz SRQLKVLSYPKNKX-CZUORRHYSA-N 1 3 326.510 1.398 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC[C@@H](O)C3CC3)CC2)CC1 ZINC000890718241 590725881 /nfs/dbraw/zinc/72/58/81/590725881.db2.gz QKCACCPBTQRGGH-GOSISDBHSA-N 1 3 337.508 1.460 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892169147 590840752 /nfs/dbraw/zinc/84/07/52/590840752.db2.gz INFKVSKWGXWWLL-HZPDHXFCSA-N 1 3 326.485 1.114 20 0 EDADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491403 591048116 /nfs/dbraw/zinc/04/81/16/591048116.db2.gz JLZSPMXXJIATNQ-JKSUJKDBSA-N 1 3 339.528 1.090 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000891346565 591052816 /nfs/dbraw/zinc/05/28/16/591052816.db2.gz CRAQBOVGNJBTBQ-WBAXXEDZSA-N 1 3 330.476 1.860 20 0 EDADHO C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)N1CCc2ccccc2C1 ZINC000891447786 591075293 /nfs/dbraw/zinc/07/52/93/591075293.db2.gz XLLPFMYONRETAK-CQSZACIVSA-N 1 3 339.443 1.910 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)COC(C)=O)CC1 ZINC000892597796 591087519 /nfs/dbraw/zinc/08/75/19/591087519.db2.gz VIKATNMQFHDMJK-MRXNPFEDSA-N 1 3 333.476 1.865 20 0 EDADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892609858 591094311 /nfs/dbraw/zinc/09/43/11/591094311.db2.gz BZVDDZXYXAMHRO-HOCLYGCPSA-N 1 3 340.489 1.540 20 0 EDADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513553 591100875 /nfs/dbraw/zinc/10/08/75/591100875.db2.gz DVWIYADFMHLPDL-JZXOWHBKSA-N 1 3 336.480 1.025 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891528764 591108493 /nfs/dbraw/zinc/10/84/93/591108493.db2.gz KQTHXTOTCCJZSR-JKSUJKDBSA-N 1 3 338.496 1.412 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579859 591133314 /nfs/dbraw/zinc/13/33/14/591133314.db2.gz MUWQOHOTNVVENZ-INIZCTEOSA-N 1 3 339.528 1.091 20 0 EDADHO CN(C)[C@]1(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000891639453 591162949 /nfs/dbraw/zinc/16/29/49/591162949.db2.gz RMBBGDNLGVGCSQ-CJNGLKHVSA-N 1 3 328.526 1.501 20 0 EDADHO C[NH+](C)CCOc1cc(C(=O)N[C@@]2(C)CN3CCC2CC3)ccn1 ZINC000892760660 591165298 /nfs/dbraw/zinc/16/52/98/591165298.db2.gz WCWSSOQHTJCYCS-SFHVURJKSA-N 1 3 332.448 1.236 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000892789567 591179145 /nfs/dbraw/zinc/17/91/45/591179145.db2.gz QEVKYTLTVIVEPI-GOSISDBHSA-N 1 3 330.476 1.732 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891673389 591179751 /nfs/dbraw/zinc/17/97/51/591179751.db2.gz LSBASWNQQCIHOQ-UPJWGTAASA-N 1 3 336.402 1.639 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000895666974 591247310 /nfs/dbraw/zinc/24/73/10/591247310.db2.gz UWMPYSDHTYGYCJ-WMTDPASSSA-N 1 3 340.512 1.515 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000895666974 591247311 /nfs/dbraw/zinc/24/73/11/591247311.db2.gz UWMPYSDHTYGYCJ-WMTDPASSSA-N 1 3 340.512 1.515 20 0 EDADHO CN1CCN(CC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253069 591248932 /nfs/dbraw/zinc/24/89/32/591248932.db2.gz FTKGOAPYTALABG-CABCVRRESA-N 1 3 329.460 1.236 20 0 EDADHO CN1CCC(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424862 591308496 /nfs/dbraw/zinc/30/84/96/591308496.db2.gz AODAFIFOOUUBBF-DLBZAZTESA-N 1 3 339.480 1.698 20 0 EDADHO CN1CCC(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424862 591308499 /nfs/dbraw/zinc/30/84/99/591308499.db2.gz AODAFIFOOUUBBF-DLBZAZTESA-N 1 3 339.480 1.698 20 0 EDADHO C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000897438273 591451399 /nfs/dbraw/zinc/45/13/99/591451399.db2.gz UOJQAIXUBYZYRY-MRXNPFEDSA-N 1 3 338.496 1.082 20 0 EDADHO C[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000897438273 591451400 /nfs/dbraw/zinc/45/14/00/591451400.db2.gz UOJQAIXUBYZYRY-MRXNPFEDSA-N 1 3 338.496 1.082 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897548715 591547725 /nfs/dbraw/zinc/54/77/25/591547725.db2.gz MQSTYIDZCJBVQS-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897548715 591547727 /nfs/dbraw/zinc/54/77/27/591547727.db2.gz MQSTYIDZCJBVQS-DLBZAZTESA-N 1 3 340.512 1.471 20 0 EDADHO CCO[C@H](CNC(=O)N1CC[C@H](C[NH+](CC)CC)C1)CN(C)C ZINC000896683774 591573651 /nfs/dbraw/zinc/57/36/51/591573651.db2.gz WLDAFYBXLAAZNU-HZPDHXFCSA-N 1 3 328.501 1.326 20 0 EDADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897876958 591702923 /nfs/dbraw/zinc/70/29/23/591702923.db2.gz PAXQJLLIVKJKLC-KRWDZBQOSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)N1CCN(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000899963520 591841024 /nfs/dbraw/zinc/84/10/24/591841024.db2.gz GWOMMMVONOKXIP-UHFFFAOYSA-N 1 3 338.540 1.783 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900219600 591947246 /nfs/dbraw/zinc/94/72/46/591947246.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 1 3 325.497 1.317 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@@]2(O)CCCN(C)C2)C1 ZINC000900219600 591947250 /nfs/dbraw/zinc/94/72/50/591947250.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 1 3 325.497 1.317 20 0 EDADHO CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000900279107 591969050 /nfs/dbraw/zinc/96/90/50/591969050.db2.gz QKEHDEIIDWFDJR-UHFFFAOYSA-N 1 3 336.524 1.347 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000902333218 591980134 /nfs/dbraw/zinc/98/01/34/591980134.db2.gz IGUDOTNPBQQHSL-CQSZACIVSA-N 1 3 325.478 1.244 20 0 EDADHO CC1(C)CNCC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000902333218 591980135 /nfs/dbraw/zinc/98/01/35/591980135.db2.gz IGUDOTNPBQQHSL-CQSZACIVSA-N 1 3 325.478 1.244 20 0 EDADHO C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1)C1(N)CC1 ZINC000902375362 591982702 /nfs/dbraw/zinc/98/27/02/591982702.db2.gz VGFGDXAOFYHLFJ-NSHDSACASA-N 1 3 327.425 1.335 20 0 EDADHO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)NCCN(C)C ZINC000902922803 592085270 /nfs/dbraw/zinc/08/52/70/592085270.db2.gz ZANQKPHIGFFAEQ-KHHDSSOXSA-N 1 3 337.508 1.482 20 0 EDADHO CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000903131876 592123904 /nfs/dbraw/zinc/12/39/04/592123904.db2.gz XGZXWYNEVBCKJO-VGWMRTNUSA-N 1 3 333.480 1.838 20 0 EDADHO CCN1CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)[C@@H](C)C1 ZINC000903240732 592142867 /nfs/dbraw/zinc/14/28/67/592142867.db2.gz AWYVZVXPOHSOBA-JQWIXIFHSA-N 1 3 348.369 1.331 20 0 EDADHO C[C@@H]1CN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1CC[NH3+] ZINC000903496789 592187681 /nfs/dbraw/zinc/18/76/81/592187681.db2.gz DVQBXZFHFHJQIT-QGPMSJSTSA-N 1 3 349.450 1.642 20 0 EDADHO CN(C)CCn1nccc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000900979762 592188007 /nfs/dbraw/zinc/18/80/07/592188007.db2.gz YIRZFELKRMDERI-UHFFFAOYSA-N 1 3 347.507 1.972 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1)NC1CCCCC1 ZINC000903511060 592190578 /nfs/dbraw/zinc/19/05/78/592190578.db2.gz MYOFFUSZXVJCJF-HDICACEKSA-N 1 3 334.508 1.336 20 0 EDADHO O=C(CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1)NC1CCCCC1 ZINC000903511060 592190580 /nfs/dbraw/zinc/19/05/80/592190580.db2.gz MYOFFUSZXVJCJF-HDICACEKSA-N 1 3 334.508 1.336 20 0 EDADHO C[C@@H](c1nc(C2CC2)no1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510096 592190724 /nfs/dbraw/zinc/19/07/24/592190724.db2.gz OFONZKRXCMYBGX-VBNZEHGJSA-N 1 3 331.464 1.909 20 0 EDADHO C[C@@H](c1nc(C2CC2)no1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510096 592190727 /nfs/dbraw/zinc/19/07/27/592190727.db2.gz OFONZKRXCMYBGX-VBNZEHGJSA-N 1 3 331.464 1.909 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccccc1CN ZINC000906647758 592233131 /nfs/dbraw/zinc/23/31/31/592233131.db2.gz BBYBVCNEBCSGKU-UHFFFAOYSA-N 1 3 334.464 1.712 20 0 EDADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000904389709 592243110 /nfs/dbraw/zinc/24/31/10/592243110.db2.gz RQRUGCKRFZBIFI-OAHLLOKOSA-N 1 3 345.422 1.736 20 0 EDADHO CC1(C)CCCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906665714 592248175 /nfs/dbraw/zinc/24/81/75/592248175.db2.gz DEDMCGIMSHBNKA-UHFFFAOYSA-N 1 3 332.448 1.322 20 0 EDADHO CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2CN)CC1 ZINC000906683369 592264622 /nfs/dbraw/zinc/26/46/22/592264622.db2.gz WFWTZUFJEZYQAE-UHFFFAOYSA-N 1 3 346.475 1.711 20 0 EDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 ZINC000904530487 592280350 /nfs/dbraw/zinc/28/03/50/592280350.db2.gz NDQWCKONHRSBIX-BSDSXHPESA-N 1 3 344.459 1.564 20 0 EDADHO CCCCN(C)C(=O)C1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722400 592283971 /nfs/dbraw/zinc/28/39/71/592283971.db2.gz LVUKSVOZPDZYFL-PKOBYXMFSA-N 1 3 337.508 1.726 20 0 EDADHO CN(Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724182 592284104 /nfs/dbraw/zinc/28/41/04/592284104.db2.gz LSHJZSKFFCPGPP-AZUAARDMSA-N 1 3 343.471 1.779 20 0 EDADHO C[N@H+](CCCCOc1ccc(Br)cc1)C[C@@H](O)CN ZINC000903752776 592296511 /nfs/dbraw/zinc/29/65/11/592296511.db2.gz WXYXGYOHELINSY-ZDUSSCGKSA-N 1 3 331.254 1.860 20 0 EDADHO C[N@@H+](CCCCOc1ccc(Br)cc1)C[C@@H](O)CN ZINC000903752776 592296515 /nfs/dbraw/zinc/29/65/15/592296515.db2.gz WXYXGYOHELINSY-ZDUSSCGKSA-N 1 3 331.254 1.860 20 0 EDADHO CN(CCCCOc1ccc(Br)cc1)C[C@@H](O)C[NH3+] ZINC000903752776 592296519 /nfs/dbraw/zinc/29/65/19/592296519.db2.gz WXYXGYOHELINSY-ZDUSSCGKSA-N 1 3 331.254 1.860 20 0 EDADHO COC(=O)CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1CCCO1 ZINC000903753782 592296598 /nfs/dbraw/zinc/29/65/98/592296598.db2.gz YDCNMFTUJWECBW-JKSUJKDBSA-N 1 3 340.464 1.189 20 0 EDADHO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903735204 592298715 /nfs/dbraw/zinc/29/87/15/592298715.db2.gz YLMCPGCCTCNZFO-KURKYZTESA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cc(C)nc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000903740272 592303239 /nfs/dbraw/zinc/30/32/39/592303239.db2.gz FQSYVHJLUHFRCC-SJLPKXTDSA-N 1 3 330.476 1.779 20 0 EDADHO Cc1cnc(OC2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903766643 592310061 /nfs/dbraw/zinc/31/00/61/592310061.db2.gz BLBTYLQTZKHTNR-KRWDZBQOSA-N 1 3 346.475 1.787 20 0 EDADHO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780801 592320188 /nfs/dbraw/zinc/32/01/88/592320188.db2.gz LVMRXLNUTHNDDI-BSDSXHPESA-N 1 3 337.508 1.508 20 0 EDADHO CN1CCN(Cc2ccccc2-c2cnc3n2C[C@H]([NH3+])CC3)CC1 ZINC000904804627 592328712 /nfs/dbraw/zinc/32/87/12/592328712.db2.gz DWYOFGBBPSADOQ-MRXNPFEDSA-N 1 3 325.460 1.571 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCNCCC12CCOCC2 ZINC000903820152 592333374 /nfs/dbraw/zinc/33/33/74/592333374.db2.gz VDWXZYVBPDXVGY-QGZVFWFLSA-N 1 3 334.460 1.579 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[N@H+]1CCNCCC12CCOCC2 ZINC000903820152 592333379 /nfs/dbraw/zinc/33/33/79/592333379.db2.gz VDWXZYVBPDXVGY-QGZVFWFLSA-N 1 3 334.460 1.579 20 0 EDADHO C[C@H](COc1cccc(F)c1)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920266 592377300 /nfs/dbraw/zinc/37/73/00/592377300.db2.gz HYLYWZZFJBWDAL-HIFRSBDPSA-N 1 3 333.411 1.899 20 0 EDADHO CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cn1 ZINC000903980534 592400544 /nfs/dbraw/zinc/40/05/44/592400544.db2.gz UIBBHKCBVSTOAF-KDURUIRLSA-N 1 3 343.519 1.938 20 0 EDADHO CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cn1 ZINC000903980534 592400546 /nfs/dbraw/zinc/40/05/46/592400546.db2.gz UIBBHKCBVSTOAF-KDURUIRLSA-N 1 3 343.519 1.938 20 0 EDADHO CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cn1 ZINC000903980534 592400548 /nfs/dbraw/zinc/40/05/48/592400548.db2.gz UIBBHKCBVSTOAF-KDURUIRLSA-N 1 3 343.519 1.938 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905122484 592417544 /nfs/dbraw/zinc/41/75/44/592417544.db2.gz PHFVUWJQVHIOBG-QFBILLFUSA-N 1 3 348.487 1.704 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000908287557 592426282 /nfs/dbraw/zinc/42/62/82/592426282.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 1 3 326.529 1.638 20 0 EDADHO CC(C)N1CCN(CCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000908287557 592426284 /nfs/dbraw/zinc/42/62/84/592426284.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 1 3 326.529 1.638 20 0 EDADHO OCC1(C[C@H](O)CNC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000905176003 592455744 /nfs/dbraw/zinc/45/57/44/592455744.db2.gz PLFCHYBARRBDLH-KSZLIROESA-N 1 3 340.508 1.258 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202255 592462960 /nfs/dbraw/zinc/46/29/60/592462960.db2.gz GNWXDXUFNXMEET-OALUTQOASA-N 1 3 348.487 1.399 20 0 EDADHO O[C@H](CNCc1ccccc1C[N@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202255 592462964 /nfs/dbraw/zinc/46/29/64/592462964.db2.gz GNWXDXUFNXMEET-OALUTQOASA-N 1 3 348.487 1.399 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000907166766 592531965 /nfs/dbraw/zinc/53/19/65/592531965.db2.gz MHKWCPCBOCSWOS-KRWDZBQOSA-N 1 3 348.491 1.760 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)NCc2ccnc(OCCN(C)C)c2)C1 ZINC000907166766 592531967 /nfs/dbraw/zinc/53/19/67/592531967.db2.gz MHKWCPCBOCSWOS-KRWDZBQOSA-N 1 3 348.491 1.760 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@@H]1C(C)C ZINC000905501448 592546314 /nfs/dbraw/zinc/54/63/14/592546314.db2.gz GFDUCNDFKMXPGO-JKEDJMADSA-N 1 3 342.524 1.622 20 0 EDADHO CN1CCN(CCCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905904369 592674611 /nfs/dbraw/zinc/67/46/11/592674611.db2.gz BKUWXDSIXZBGOZ-KRWDZBQOSA-N 1 3 327.513 1.050 20 0 EDADHO C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)N1CCCCC1 ZINC000734273748 592959044 /nfs/dbraw/zinc/95/90/44/592959044.db2.gz LBUILRFNJAXQTK-MRXNPFEDSA-N 1 3 340.512 1.613 20 0 EDADHO C[NH2+]CCCNC(=O)C[C@@H](N)Cc1ccc(Br)cc1 ZINC000911678228 592980328 /nfs/dbraw/zinc/98/03/28/592980328.db2.gz YVOCMIXXORMDPP-ZDUSSCGKSA-N 1 3 328.254 1.435 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145130 592991160 /nfs/dbraw/zinc/99/11/60/592991160.db2.gz BBNCMDWBZMUPCE-AWEZNQCLSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736145130 592991162 /nfs/dbraw/zinc/99/11/62/592991162.db2.gz BBNCMDWBZMUPCE-AWEZNQCLSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145130 592991164 /nfs/dbraw/zinc/99/11/64/592991164.db2.gz BBNCMDWBZMUPCE-AWEZNQCLSA-N 1 3 344.463 1.391 20 0 EDADHO C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736145130 592991165 /nfs/dbraw/zinc/99/11/65/592991165.db2.gz BBNCMDWBZMUPCE-AWEZNQCLSA-N 1 3 344.463 1.391 20 0 EDADHO CN(C(=O)C[C@@H](N)Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000911786472 593008223 /nfs/dbraw/zinc/00/82/23/593008223.db2.gz BUPJSGLPPUIDEG-UONOGXRCSA-N 1 3 340.265 1.529 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911811194 593015519 /nfs/dbraw/zinc/01/55/19/593015519.db2.gz RHMCXMZFMIQGIE-FHLIZLRMSA-N 1 3 329.444 1.818 20 0 EDADHO C[C@@H]1CN(C(=O)CCc2ccc(OCCN(C)C)cc2)CC[C@H]1[NH3+] ZINC000911823382 593017022 /nfs/dbraw/zinc/01/70/22/593017022.db2.gz YKPAMUUMMNODER-CRAIPNDOSA-N 1 3 333.476 1.755 20 0 EDADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000819043129 593735262 /nfs/dbraw/zinc/73/52/62/593735262.db2.gz PQJJTPYQWPQKPD-KRWDZBQOSA-N 1 3 337.439 1.391 20 0 EDADHO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(CN(C)C)c1 ZINC000820829851 593899649 /nfs/dbraw/zinc/89/96/49/593899649.db2.gz NBNSWIUEMVWESQ-GDBMZVCRSA-N 1 3 339.505 1.680 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccnc(OCCN(C)C)c2)no1 ZINC000822861191 594112905 /nfs/dbraw/zinc/11/29/05/594112905.db2.gz BGQRHHQAWBJNFP-KBPBESRZSA-N 1 3 331.420 1.928 20 0 EDADHO CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000832234096 594737180 /nfs/dbraw/zinc/73/71/80/594737180.db2.gz DRSHQPUBQBEJIZ-KRWDZBQOSA-N 1 3 334.508 1.243 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000841017926 594839800 /nfs/dbraw/zinc/83/98/00/594839800.db2.gz LKRWJLDFVCAGOK-CRAIPNDOSA-N 1 3 345.491 1.948 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017547 594839958 /nfs/dbraw/zinc/83/99/58/594839958.db2.gz FWEMEXPVYFSBCJ-KRWDZBQOSA-N 1 3 331.464 1.654 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000836226604 594940412 /nfs/dbraw/zinc/94/04/12/594940412.db2.gz HSUZBLOYZJUGMN-MRXNPFEDSA-N 1 3 345.491 1.902 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000836226604 594940413 /nfs/dbraw/zinc/94/04/13/594940413.db2.gz HSUZBLOYZJUGMN-MRXNPFEDSA-N 1 3 345.491 1.902 20 0 EDADHO N[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000841850837 594965087 /nfs/dbraw/zinc/96/50/87/594965087.db2.gz FOTPSGOCTVXBEG-ZWKOTPCHSA-N 1 3 338.455 1.980 20 0 EDADHO C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCN(Cc2ccccc2)C1 ZINC000841898612 594976846 /nfs/dbraw/zinc/97/68/46/594976846.db2.gz OZZOGCRNYIGNHJ-MJGOQNOKSA-N 1 3 346.475 1.268 20 0 EDADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258887 595055160 /nfs/dbraw/zinc/05/51/60/595055160.db2.gz DBXVQYZSFNSGIA-OAGGEKHMSA-N 1 3 340.512 1.104 20 0 EDADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000843061270 595276709 /nfs/dbraw/zinc/27/67/09/595276709.db2.gz DJLGUILQKJZRBY-GJZGRUSLSA-N 1 3 332.366 1.785 20 0 EDADHO [NH3+]C[C@@H](C(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172080 595291023 /nfs/dbraw/zinc/29/10/23/595291023.db2.gz VHISJHCLGYCOKV-QZTJIDSGSA-N 1 3 349.450 1.628 20 0 EDADHO COC[C@]1(C(=O)N(C)c2ccc(OCCN(C)C)cc2)CC[NH2+]C1 ZINC000844183373 595294781 /nfs/dbraw/zinc/29/47/81/595294781.db2.gz ZNCCTXIQRLJGKR-SFHVURJKSA-N 1 3 335.448 1.216 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000844954349 595419635 /nfs/dbraw/zinc/41/96/35/595419635.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000844954349 595419636 /nfs/dbraw/zinc/41/96/36/595419636.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 1 3 326.485 1.127 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCOCC[C@H]3C)CC2)CC1 ZINC000847661260 595465051 /nfs/dbraw/zinc/46/50/51/595465051.db2.gz BLDICUXSPRENBD-MRXNPFEDSA-N 1 3 337.508 1.820 20 0 EDADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754282 595526976 /nfs/dbraw/zinc/52/69/76/595526976.db2.gz SATMZWGZHXGIIY-WMZOPIPTSA-N 1 3 335.492 1.478 20 0 EDADHO CC[NH+](CC)CCNC(=O)[C@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482655 595546544 /nfs/dbraw/zinc/54/65/44/595546544.db2.gz SFUGCXRXJNPCOK-ZWKOTPCHSA-N 1 3 349.523 1.692 20 0 EDADHO CC[NH+](CC)CCNC(=O)[C@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482654 595546748 /nfs/dbraw/zinc/54/67/48/595546748.db2.gz SFUGCXRXJNPCOK-ROUUACIJSA-N 1 3 349.523 1.692 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000849500242 595551829 /nfs/dbraw/zinc/55/18/29/595551829.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 1 3 345.491 1.198 20 0 EDADHO Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000849500242 595551832 /nfs/dbraw/zinc/55/18/32/595551832.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 1 3 345.491 1.198 20 0 EDADHO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000849521663 595558168 /nfs/dbraw/zinc/55/81/68/595558168.db2.gz USWLBGAOKIWAKP-IAGOWNOFSA-N 1 3 333.480 1.010 20 0 EDADHO NC[C@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)=NO1 ZINC000852857344 595579129 /nfs/dbraw/zinc/57/91/29/595579129.db2.gz QBLSSTUAILUXQF-MRXNPFEDSA-N 1 3 330.432 1.392 20 0 EDADHO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000852859984 595580932 /nfs/dbraw/zinc/58/09/32/595580932.db2.gz GTEUJOPQIXLOGA-JKSUJKDBSA-N 1 3 330.432 1.213 20 0 EDADHO C[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CCN1Cc1ccccc1 ZINC000852872516 595591256 /nfs/dbraw/zinc/59/12/56/595591256.db2.gz OUPZPJGRHSIILU-GOEBONIOSA-N 1 3 330.432 1.213 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)nc1 ZINC000853455136 595755488 /nfs/dbraw/zinc/75/54/88/595755488.db2.gz RMTFGHQVZVJTFR-ZDUSSCGKSA-N 1 3 341.887 1.806 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccc(Cl)nc1 ZINC000853455136 595755492 /nfs/dbraw/zinc/75/54/92/595755492.db2.gz RMTFGHQVZVJTFR-ZDUSSCGKSA-N 1 3 341.887 1.806 20 0 EDADHO CN1CCC(O)(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857138809 596167570 /nfs/dbraw/zinc/16/75/70/596167570.db2.gz VMAOMYXRCPOLHF-GOSISDBHSA-N 1 3 345.487 1.682 20 0 EDADHO CN1CCC(O)(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000857138809 596167573 /nfs/dbraw/zinc/16/75/73/596167573.db2.gz VMAOMYXRCPOLHF-GOSISDBHSA-N 1 3 345.487 1.682 20 0 EDADHO O=C1OC[C@@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000862545176 596343595 /nfs/dbraw/zinc/34/35/95/596343595.db2.gz JMNOMYUDCMUIBG-WMZOPIPTSA-N 1 3 330.428 1.766 20 0 EDADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870922604 596406662 /nfs/dbraw/zinc/40/66/62/596406662.db2.gz JYCTZKZVJMIONU-CALCHBBNSA-N 1 3 346.475 1.112 20 0 EDADHO CN1CCN(C2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982218 596429197 /nfs/dbraw/zinc/42/91/97/596429197.db2.gz YLBSGQKHCOLJBO-ZWKOTPCHSA-N 1 3 336.524 1.523 20 0 EDADHO C[C@@H](CNC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000865176089 596500583 /nfs/dbraw/zinc/50/05/83/596500583.db2.gz LXWRFCALSHOGLM-KBPBESRZSA-N 1 3 342.484 1.042 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000867810321 596562868 /nfs/dbraw/zinc/56/28/68/596562868.db2.gz YLYARSGUBZRPMP-WBVHZDCISA-N 1 3 337.489 1.463 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1 ZINC000867810321 596562869 /nfs/dbraw/zinc/56/28/69/596562869.db2.gz YLYARSGUBZRPMP-WBVHZDCISA-N 1 3 337.489 1.463 20 0 EDADHO CN1CCC[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000863503650 596602674 /nfs/dbraw/zinc/60/26/74/596602674.db2.gz KVVBPNPFSWRMNR-YRYLYKBFSA-N 1 3 331.460 1.851 20 0 EDADHO Cc1ccc(CCN2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549887 596615408 /nfs/dbraw/zinc/61/54/08/596615408.db2.gz SRVKCKGKCFFJEM-MSOLQXFVSA-N 1 3 329.444 1.795 20 0 EDADHO CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)C1CC1 ZINC000863553608 596615817 /nfs/dbraw/zinc/61/58/17/596615817.db2.gz GMWPRUVNAPFQAI-HUUCEWRRSA-N 1 3 327.469 1.336 20 0 EDADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000869777171 596627762 /nfs/dbraw/zinc/62/77/62/596627762.db2.gz BBVLZKWPPOJPGN-KRWDZBQOSA-N 1 3 333.476 1.366 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868160247 596706330 /nfs/dbraw/zinc/70/63/30/596706330.db2.gz CUAUXYUFWBQGLE-QGZVFWFLSA-N 1 3 336.484 1.674 20 0 EDADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868224339 596734070 /nfs/dbraw/zinc/73/40/70/596734070.db2.gz GMCOOXGHVPGZHN-XOKHGSTOSA-N 1 3 344.459 1.430 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)N1CCCCC1 ZINC000868228088 596735239 /nfs/dbraw/zinc/73/52/39/596735239.db2.gz BFANNASFDSXKOY-RRQGHBQHSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)[C@]1(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCSC1 ZINC000868355767 596798991 /nfs/dbraw/zinc/79/89/91/596798991.db2.gz NMCLOVTVYXHXQF-PREGVCBESA-N 1 3 342.553 1.986 20 0 EDADHO Cn1c(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156456 596816197 /nfs/dbraw/zinc/81/61/97/596816197.db2.gz JXVFCZKGTBLWTJ-RHSMWYFYSA-N 1 3 348.491 1.204 20 0 EDADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872198576 596831579 /nfs/dbraw/zinc/83/15/79/596831579.db2.gz RFFSJYNGRTUHCV-LJQANCHMSA-N 1 3 349.519 1.436 20 0 EDADHO Cc1ccc(CN2CCO[C@H](C[NH2+]C[C@@H](O)CN3CCCC3)C2)cc1 ZINC000872236201 596848249 /nfs/dbraw/zinc/84/82/49/596848249.db2.gz OOIJVNJZCOITPD-WOJBJXKFSA-N 1 3 347.503 1.242 20 0 EDADHO CN(C)[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000874433011 597076192 /nfs/dbraw/zinc/07/61/92/597076192.db2.gz TYDYGUZCVKIGRH-RDGPPVDQSA-N 1 3 344.503 1.989 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000874838641 597192778 /nfs/dbraw/zinc/19/27/78/597192778.db2.gz QHXYSZAFTWYCNI-NSHGMRRFSA-N 1 3 343.471 1.319 20 0 EDADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000874838641 597192781 /nfs/dbraw/zinc/19/27/81/597192781.db2.gz QHXYSZAFTWYCNI-NSHGMRRFSA-N 1 3 343.471 1.319 20 0 EDADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249738 597240449 /nfs/dbraw/zinc/24/04/49/597240449.db2.gz NNPOUCICILPAFJ-JKSUJKDBSA-N 1 3 330.432 1.488 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144586 597302094 /nfs/dbraw/zinc/30/20/94/597302094.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 1 3 340.512 1.251 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCN(CC(C)(C)O)C1 ZINC000875144586 597302098 /nfs/dbraw/zinc/30/20/98/597302098.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 1 3 340.512 1.251 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876725664 597307634 /nfs/dbraw/zinc/30/76/34/597307634.db2.gz NRWWKFWDJVBUIN-WMLDXEAASA-N 1 3 335.423 1.529 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000876772920 597334062 /nfs/dbraw/zinc/33/40/62/597334062.db2.gz UOAKLPBPGVHQNG-WFASDCNBSA-N 1 3 347.488 1.753 20 0 EDADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000876772920 597334065 /nfs/dbraw/zinc/33/40/65/597334065.db2.gz UOAKLPBPGVHQNG-WFASDCNBSA-N 1 3 347.488 1.753 20 0 EDADHO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000879591261 597648497 /nfs/dbraw/zinc/64/84/97/597648497.db2.gz LJRKOOGRNDAGDD-IBGZPJMESA-N 1 3 347.503 1.447 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000879673422 597681617 /nfs/dbraw/zinc/68/16/17/597681617.db2.gz SKASIMRLFQLQEW-UHFFFAOYSA-N 1 3 334.468 1.537 20 0 EDADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000884401255 598094181 /nfs/dbraw/zinc/09/41/81/598094181.db2.gz JIPPPJICMDSEFL-QGZVFWFLSA-N 1 3 345.491 1.037 20 0 EDADHO C[NH2+]CCOc1ccccc1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000884414712 598098105 /nfs/dbraw/zinc/09/81/05/598098105.db2.gz ZLNBNJYDFVGNEL-MRXNPFEDSA-N 1 3 347.459 1.268 20 0 EDADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992833525 695394114 /nfs/dbraw/zinc/39/41/14/695394114.db2.gz LPKPHDCWUBUPMM-QGTPRVQTSA-N 1 3 339.443 1.764 20 0 EDADHO CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001031856860 700005549 /nfs/dbraw/zinc/00/55/49/700005549.db2.gz KNTPWILMRKRUGX-RCDNUKIMSA-N 1 3 335.492 1.334 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCO ZINC000994493468 696933244 /nfs/dbraw/zinc/93/32/44/696933244.db2.gz DGLXBBJBWXTVQR-CRAIPNDOSA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCO ZINC000994493468 696933246 /nfs/dbraw/zinc/93/32/46/696933246.db2.gz DGLXBBJBWXTVQR-CRAIPNDOSA-N 1 3 333.476 1.713 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000940117929 700250715 /nfs/dbraw/zinc/25/07/15/700250715.db2.gz ZFOFVFQXFUQLES-HUUCEWRRSA-N 1 3 334.464 1.794 20 0 EDADHO Cc1ncoc1CNC1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000940117929 700250720 /nfs/dbraw/zinc/25/07/20/700250720.db2.gz ZFOFVFQXFUQLES-HUUCEWRRSA-N 1 3 334.464 1.794 20 0 EDADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(C2CN(CC3CC3)C2)CC1 ZINC000941502596 701561690 /nfs/dbraw/zinc/56/16/90/701561690.db2.gz SRWAOKKSIXJANB-IBGZPJMESA-N 1 3 346.519 1.099 20 0 EDADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939209726 699356357 /nfs/dbraw/zinc/35/63/57/699356357.db2.gz IJJNSTHIJUGRHM-SUMWQHHRSA-N 1 3 330.407 1.771 20 0 EDADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCc1c(F)cccc1F ZINC000939211164 699359164 /nfs/dbraw/zinc/35/91/64/699359164.db2.gz QSTHAFHMMILVAV-PXAZEXFGSA-N 1 3 348.397 1.910 20 0 EDADHO C[NH+]1CCC(CC(=O)N2CCN(C3CN(CCC4CC4)C3)CC2)CC1 ZINC000941595177 701587125 /nfs/dbraw/zinc/58/71/25/701587125.db2.gz FSAJWQYMDITWNA-UHFFFAOYSA-N 1 3 348.535 1.347 20 0 EDADHO O=C(CC[NH+]1CCCCC1)N1CCN(C2CN(CCC3CC3)C2)CC1 ZINC000941677096 701615777 /nfs/dbraw/zinc/61/57/77/701615777.db2.gz KTKFPLFLRXOCMK-UHFFFAOYSA-N 1 3 348.535 1.491 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C)([NH2+]C[C@@H]3C[C@@]34CCOC4)CC2)CCC1 ZINC000940149283 700282230 /nfs/dbraw/zinc/28/22/30/700282230.db2.gz IZXFTNUGZOQPEI-QFBILLFUSA-N 1 3 349.519 1.868 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000940149917 700283009 /nfs/dbraw/zinc/28/30/09/700283009.db2.gz RTCCPPRYYZTNHI-INIZCTEOSA-N 1 3 348.495 1.109 20 0 EDADHO Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3(N(C)C)CCC3)CC2)ncn1 ZINC000940150576 700300334 /nfs/dbraw/zinc/30/03/34/700300334.db2.gz YCIGZWIJTKTGPS-UHFFFAOYSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000940329869 700509689 /nfs/dbraw/zinc/50/96/89/700509689.db2.gz ZBLBUOAKFCKNHT-BBRMVZONSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1cc(CNC2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)on1 ZINC000940329869 700509692 /nfs/dbraw/zinc/50/96/92/700509692.db2.gz ZBLBUOAKFCKNHT-BBRMVZONSA-N 1 3 334.464 1.651 20 0 EDADHO Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)o1 ZINC000940461845 700665317 /nfs/dbraw/zinc/66/53/17/700665317.db2.gz NWKMWCNGAKFJNI-UHFFFAOYSA-N 1 3 334.464 1.858 20 0 EDADHO Cn1ccc(CNC[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081409 700711194 /nfs/dbraw/zinc/71/11/94/700711194.db2.gz UZRWMIKRAWYBAS-GDBMZVCRSA-N 1 3 333.480 1.136 20 0 EDADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](CNCc3nccs3)C2)CC1 ZINC000995082793 700727050 /nfs/dbraw/zinc/72/70/50/700727050.db2.gz ZSLNBSXFTLASLN-UKRRQHHQSA-N 1 3 336.505 1.859 20 0 EDADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788160 /nfs/dbraw/zinc/78/81/60/700788160.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 1 3 345.491 1.596 20 0 EDADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788162 /nfs/dbraw/zinc/78/81/62/700788162.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 1 3 345.491 1.596 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999188504 706629995 /nfs/dbraw/zinc/62/99/95/706629995.db2.gz AZCULTNPBHYGKE-DJIMGWMZSA-N 1 3 333.480 1.149 20 0 EDADHO Cc1nn(C)cc1CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999188504 706629997 /nfs/dbraw/zinc/62/99/97/706629997.db2.gz AZCULTNPBHYGKE-DJIMGWMZSA-N 1 3 333.480 1.149 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001031979460 702073143 /nfs/dbraw/zinc/07/31/43/702073143.db2.gz WRRNAXJFHSPZOE-LJQANCHMSA-N 1 3 347.503 1.877 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)C1CC1 ZINC000995895794 702199245 /nfs/dbraw/zinc/19/92/45/702199245.db2.gz MKHSKFMBXYPUFQ-JKSUJKDBSA-N 1 3 333.480 1.087 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cccnc3)C2)CC[N@@H+]1C ZINC000999211256 706663769 /nfs/dbraw/zinc/66/37/69/706663769.db2.gz XQLQITXMKGEDBC-OKZBNKHCSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3cccnc3)C2)CC[N@H+]1C ZINC000999211256 706663771 /nfs/dbraw/zinc/66/37/71/706663771.db2.gz XQLQITXMKGEDBC-OKZBNKHCSA-N 1 3 330.476 1.893 20 0 EDADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H]2CCCO2)CC1 ZINC001032665870 706678821 /nfs/dbraw/zinc/67/88/21/706678821.db2.gz JTNWAJVRRCUATF-BZSNNMDCSA-N 1 3 335.492 1.573 20 0 EDADHO CC(C)(C(=O)N1C[C@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1)N1CCCC1 ZINC000996126991 702558390 /nfs/dbraw/zinc/55/83/90/702558390.db2.gz LYBUWIFZPNDLQY-HOTGVXAUSA-N 1 3 337.508 1.724 20 0 EDADHO C[C@H](NC1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999225570 706683343 /nfs/dbraw/zinc/68/33/43/706683343.db2.gz VULUWODJEGTVJX-FHERZECASA-N 1 3 345.491 1.991 20 0 EDADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300390 702691799 /nfs/dbraw/zinc/69/17/99/702691799.db2.gz LHNIUMSLCSIZKI-CXAGYDPISA-N 1 3 329.460 1.018 20 0 EDADHO CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCCF ZINC000996501723 702840432 /nfs/dbraw/zinc/84/04/32/702840432.db2.gz MERPUQYZUGWYEB-MRXNPFEDSA-N 1 3 325.472 1.905 20 0 EDADHO COc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996669023 702970475 /nfs/dbraw/zinc/97/04/75/702970475.db2.gz FGMDTXJXOFZZMO-UHFFFAOYSA-N 1 3 346.475 1.655 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CC1 ZINC000996677584 702976534 /nfs/dbraw/zinc/97/65/34/702976534.db2.gz LKEQZDSIUDTRRK-QGZVFWFLSA-N 1 3 334.439 1.642 20 0 EDADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996755406 703044311 /nfs/dbraw/zinc/04/43/11/703044311.db2.gz CQGXROCKAVRWIX-QGZVFWFLSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2nccn2C)CC1 ZINC000996755406 703044313 /nfs/dbraw/zinc/04/43/13/703044313.db2.gz CQGXROCKAVRWIX-QGZVFWFLSA-N 1 3 347.507 1.621 20 0 EDADHO CCCN1CC[NH+](C2CCC(NC(=O)CN3CCCC3)CC2)CC1 ZINC000996800511 703086430 /nfs/dbraw/zinc/08/64/30/703086430.db2.gz CKNNCXBBKQIBRH-UHFFFAOYSA-N 1 3 336.524 1.537 20 0 EDADHO COc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)ccn1 ZINC000996995384 703252039 /nfs/dbraw/zinc/25/20/39/703252039.db2.gz OEPUMWVVFJWISN-OAHLLOKOSA-N 1 3 346.475 1.655 20 0 EDADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1cnccn1 ZINC000997002312 703258985 /nfs/dbraw/zinc/25/89/85/703258985.db2.gz VHLUTGXJYQJQNA-CABCVRRESA-N 1 3 331.464 1.603 20 0 EDADHO CCc1nocc1CNC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008972 703261691 /nfs/dbraw/zinc/26/16/91/703261691.db2.gz NPTVAOWWNAPLAJ-CJNGLKHVSA-N 1 3 334.464 1.515 20 0 EDADHO CCc1nocc1CNC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008972 703261694 /nfs/dbraw/zinc/26/16/94/703261694.db2.gz NPTVAOWWNAPLAJ-CJNGLKHVSA-N 1 3 334.464 1.515 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997008527 703266619 /nfs/dbraw/zinc/26/66/19/703266619.db2.gz VFEKFILPOWUCDE-INIZCTEOSA-N 1 3 345.487 1.601 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997011420 703271685 /nfs/dbraw/zinc/27/16/85/703271685.db2.gz VIYCXRRXQKCOJQ-MLGOLLRUSA-N 1 3 334.464 1.570 20 0 EDADHO Cc1nc(C)c(CNC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997011420 703271688 /nfs/dbraw/zinc/27/16/88/703271688.db2.gz VIYCXRRXQKCOJQ-MLGOLLRUSA-N 1 3 334.464 1.570 20 0 EDADHO Cc1oncc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997115347 703369237 /nfs/dbraw/zinc/36/92/37/703369237.db2.gz MBDOZIHNWITXBC-UHFFFAOYSA-N 1 3 334.464 1.796 20 0 EDADHO CCc1nnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185861 703475136 /nfs/dbraw/zinc/47/51/36/703475136.db2.gz SXTJGNMCBZJSJF-UONOGXRCSA-N 1 3 348.495 1.351 20 0 EDADHO CCc1nnc([C@H](C)NC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000997185861 703475138 /nfs/dbraw/zinc/47/51/38/703475138.db2.gz SXTJGNMCBZJSJF-UONOGXRCSA-N 1 3 348.495 1.351 20 0 EDADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3nc4ccccc4o3)CC2)C1 ZINC000997300484 703544086 /nfs/dbraw/zinc/54/40/86/703544086.db2.gz VUEDGPQJJZFUGL-CQSZACIVSA-N 1 3 342.443 1.860 20 0 EDADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3nc4ccccc4o3)CC2)C1 ZINC000997300484 703544087 /nfs/dbraw/zinc/54/40/87/703544087.db2.gz VUEDGPQJJZFUGL-CQSZACIVSA-N 1 3 342.443 1.860 20 0 EDADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cc(CO)ccc2F)CC1 ZINC000997302255 703545069 /nfs/dbraw/zinc/54/50/69/703545069.db2.gz KOOOUDDOVXAZMZ-UHFFFAOYSA-N 1 3 349.450 1.494 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366785 703600817 /nfs/dbraw/zinc/60/08/17/703600817.db2.gz KVEURUDOKACPAF-GOSISDBHSA-N 1 3 347.507 1.418 20 0 EDADHO CN(C)C1(C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CCC1 ZINC000997824772 704744441 /nfs/dbraw/zinc/74/44/41/704744441.db2.gz VGNIZIHCCRTRIF-UHFFFAOYSA-N 1 3 333.480 1.233 20 0 EDADHO CN(CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000997831987 704750008 /nfs/dbraw/zinc/75/00/08/704750008.db2.gz WYUZPCBMDCVWEY-UHFFFAOYSA-N 1 3 337.493 1.351 20 0 EDADHO Cn1ccnc1CNCC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997830711 704751114 /nfs/dbraw/zinc/75/11/14/704751114.db2.gz MTEXAMJDECCJKK-QGZVFWFLSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081613 705303289 /nfs/dbraw/zinc/30/32/89/705303289.db2.gz KQTBJISKEFPXNZ-FUHWJXTLSA-N 1 3 337.508 1.726 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC000998082436 705309225 /nfs/dbraw/zinc/30/92/25/705309225.db2.gz OZXCNCIHAFCTQI-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC000998082436 705309228 /nfs/dbraw/zinc/30/92/28/705309228.db2.gz OZXCNCIHAFCTQI-OAHLLOKOSA-N 1 3 334.464 1.796 20 0 EDADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1)N(C)C ZINC000998085565 705316744 /nfs/dbraw/zinc/31/67/44/705316744.db2.gz HBLFAKCVMKKSFL-IRXDYDNUSA-N 1 3 325.497 1.724 20 0 EDADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998217664 705540161 /nfs/dbraw/zinc/54/01/61/705540161.db2.gz PYHVOICVEGNMKF-BBRMVZONSA-N 1 3 348.495 1.344 20 0 EDADHO Cc1nnc([C@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC000998217664 705540167 /nfs/dbraw/zinc/54/01/67/705540167.db2.gz PYHVOICVEGNMKF-BBRMVZONSA-N 1 3 348.495 1.344 20 0 EDADHO COc1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000998268655 705644950 /nfs/dbraw/zinc/64/49/50/705644950.db2.gz HWDHMIQQHQBMDO-UHFFFAOYSA-N 1 3 346.475 1.514 20 0 EDADHO CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998550763 705987616 /nfs/dbraw/zinc/98/76/16/705987616.db2.gz PFNUQXDPVYAWKE-ZBCRRDGASA-N 1 3 334.464 1.719 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998780572 706221624 /nfs/dbraw/zinc/22/16/24/706221624.db2.gz QCZSVAJWUDFPKG-VMWRSERWSA-N 1 3 343.475 1.206 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518122 706574966 /nfs/dbraw/zinc/57/49/66/706574966.db2.gz OELPMVWZHZIWKG-OKYOBFRVSA-N 1 3 349.519 1.678 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518122 706574967 /nfs/dbraw/zinc/57/49/67/706574967.db2.gz OELPMVWZHZIWKG-OKYOBFRVSA-N 1 3 349.519 1.678 20 0 EDADHO Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348354 706860660 /nfs/dbraw/zinc/86/06/60/706860660.db2.gz NZAZZCURTYWJSG-KRWDZBQOSA-N 1 3 330.476 1.955 20 0 EDADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376507 706871005 /nfs/dbraw/zinc/87/10/05/706871005.db2.gz WGSWNOGHTAKNOS-GOEBONIOSA-N 1 3 336.505 1.606 20 0 EDADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364340 706877958 /nfs/dbraw/zinc/87/79/58/706877958.db2.gz MJYHUVQZSRKTDY-MRXNPFEDSA-N 1 3 334.439 1.786 20 0 EDADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C1CC1 ZINC000999372066 706886647 /nfs/dbraw/zinc/88/66/47/706886647.db2.gz OAHSSJXGXLVDJF-IRXDYDNUSA-N 1 3 334.439 1.642 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999405741 706914810 /nfs/dbraw/zinc/91/48/10/706914810.db2.gz GZYUGGHLFMLXTK-JQRITLKVSA-N 1 3 334.464 1.855 20 0 EDADHO Cc1noc(C)c1CNC1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999405741 706914812 /nfs/dbraw/zinc/91/48/12/706914812.db2.gz GZYUGGHLFMLXTK-JQRITLKVSA-N 1 3 334.464 1.855 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2CC1)N(C)C ZINC000946784767 707314688 /nfs/dbraw/zinc/31/46/88/707314688.db2.gz SOIQVXHLXOJNBN-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2CC1)N(C)C ZINC000946784767 707314694 /nfs/dbraw/zinc/31/46/94/707314694.db2.gz SOIQVXHLXOJNBN-JZXOWHBKSA-N 1 3 348.491 1.994 20 0 EDADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC001033319407 707497882 /nfs/dbraw/zinc/49/78/82/707497882.db2.gz PUCKQPLMWABXHC-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@@H](NCc1cncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932349 707695404 /nfs/dbraw/zinc/69/54/04/707695404.db2.gz ZGXQSPUDBQRMEN-CRAIPNDOSA-N 1 3 347.507 1.621 20 0 EDADHO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033416377 707795602 /nfs/dbraw/zinc/79/56/02/707795602.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 1 3 329.460 1.114 20 0 EDADHO CN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)[C@@H]1CCN(CCCO)C1 ZINC001033416377 707795608 /nfs/dbraw/zinc/79/56/08/707795608.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 1 3 329.460 1.114 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001034046157 709298769 /nfs/dbraw/zinc/29/87/69/709298769.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 1 3 345.487 1.940 20 0 EDADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOc2ccccc2)C1 ZINC001034046157 709298771 /nfs/dbraw/zinc/29/87/71/709298771.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 1 3 345.487 1.940 20 0 EDADHO COCCN1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504456 709333906 /nfs/dbraw/zinc/33/39/06/709333906.db2.gz RQWRQGCDPCOOBF-KRWDZBQOSA-N 1 3 325.497 1.819 20 0 EDADHO COCCN1CCC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005504456 709333908 /nfs/dbraw/zinc/33/39/08/709333908.db2.gz RQWRQGCDPCOOBF-KRWDZBQOSA-N 1 3 325.497 1.819 20 0 EDADHO Cc1cncc(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034138251 709388393 /nfs/dbraw/zinc/38/83/93/709388393.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 1 3 330.476 1.955 20 0 EDADHO Cc1cncc(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034138251 709388395 /nfs/dbraw/zinc/38/83/95/709388395.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 1 3 330.476 1.955 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)N1CCCCC1 ZINC001034213373 709564858 /nfs/dbraw/zinc/56/48/58/709564858.db2.gz XECYCLGYPIFBNH-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)(C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1)N1CCCCC1 ZINC001034213373 709564860 /nfs/dbraw/zinc/56/48/60/709564860.db2.gz XECYCLGYPIFBNH-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319128 709768965 /nfs/dbraw/zinc/76/89/65/709768965.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 1 3 349.519 1.866 20 0 EDADHO CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001034319128 709768969 /nfs/dbraw/zinc/76/89/69/709768969.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 1 3 349.519 1.866 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034535184 710206864 /nfs/dbraw/zinc/20/68/64/710206864.db2.gz CJHNXOMGYJLWMJ-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034535184 710206865 /nfs/dbraw/zinc/20/68/65/710206865.db2.gz CJHNXOMGYJLWMJ-QAPCUYQASA-N 1 3 333.476 1.713 20 0 EDADHO Cc1cc(C)n(CC[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)n1 ZINC001003626291 710455469 /nfs/dbraw/zinc/45/54/69/710455469.db2.gz APXGUAVKLXGRHX-MRXNPFEDSA-N 1 3 347.507 1.565 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001003634443 710462251 /nfs/dbraw/zinc/46/22/51/710462251.db2.gz KLNCJMOPZDVPSA-BEFAXECRSA-N 1 3 345.487 1.974 20 0 EDADHO COc1cccc(CN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC001003634443 710462253 /nfs/dbraw/zinc/46/22/53/710462253.db2.gz KLNCJMOPZDVPSA-BEFAXECRSA-N 1 3 345.487 1.974 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034658994 710587913 /nfs/dbraw/zinc/58/79/13/710587913.db2.gz MXADJPNCUCCCII-BZSNNMDCSA-N 1 3 347.507 1.775 20 0 EDADHO CC(C)c1nnc(CNC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034957217 711428299 /nfs/dbraw/zinc/42/82/99/711428299.db2.gz NTSZNVIGESHGJV-CQSZACIVSA-N 1 3 349.479 1.758 20 0 EDADHO COc1cncc(CNC[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957246 711428420 /nfs/dbraw/zinc/42/84/20/711428420.db2.gz OYQHGRIAGSZGDK-OAHLLOKOSA-N 1 3 347.463 1.050 20 0 EDADHO Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957236 711428539 /nfs/dbraw/zinc/42/85/39/711428539.db2.gz OQOQZMMAOSAYHS-MRXNPFEDSA-N 1 3 330.476 1.955 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388053 711429643 /nfs/dbraw/zinc/42/96/43/711429643.db2.gz NTHQVAGPIRKPQF-YCEFEEMOSA-N 1 3 334.460 1.970 20 0 EDADHO COc1ccc(CN[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388053 711429645 /nfs/dbraw/zinc/42/96/45/711429645.db2.gz NTHQVAGPIRKPQF-YCEFEEMOSA-N 1 3 334.460 1.970 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[C@@H]1CCN(CCCF)C1 ZINC001033139664 711936034 /nfs/dbraw/zinc/93/60/34/711936034.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 1 3 341.471 1.522 20 0 EDADHO CN(C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)[C@@H]1CCN(CCCF)C1 ZINC001033139664 711936036 /nfs/dbraw/zinc/93/60/36/711936036.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 1 3 341.471 1.522 20 0 EDADHO CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1 ZINC000378198205 282123412 /nfs/dbraw/zinc/12/34/12/282123412.db2.gz AJGLAYOXSRGOHN-ZIAGYGMSSA-N 1 3 335.473 1.437 20 0 EDADHO CC(C)C[C@H]([NH2+][C@@H]1CCC12CCOCC2)C(=O)NCCN(C)C ZINC000558623326 306241043 /nfs/dbraw/zinc/24/10/43/306241043.db2.gz XTNWGXREVWWWTB-JKSUJKDBSA-N 1 3 325.497 1.628 20 0 EDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000458505467 282189669 /nfs/dbraw/zinc/18/96/69/282189669.db2.gz NDKOFRDVAUGTGH-OAGGEKHMSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](CCO)[C@@H]2CCCSC2)CC1 ZINC000433193077 305102762 /nfs/dbraw/zinc/10/27/62/305102762.db2.gz OIWMMZCFLCLWNI-QGZVFWFLSA-N 1 3 329.554 1.592 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H]2CNCCO2)CC1 ZINC000166853073 530050651 /nfs/dbraw/zinc/05/06/51/530050651.db2.gz FVUMHGXCCUWSRM-HNNXBMFYSA-N 1 3 332.448 1.510 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418754958 295802086 /nfs/dbraw/zinc/80/20/86/295802086.db2.gz WUUYQBBYNPLZDC-UONOGXRCSA-N 1 3 330.423 1.644 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982753 306314752 /nfs/dbraw/zinc/31/47/52/306314752.db2.gz JQUCFZOKLXTICZ-HDEZJCGLSA-N 1 3 348.495 1.119 20 0 EDADHO O=C([C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271310 306325796 /nfs/dbraw/zinc/32/57/96/306325796.db2.gz PQOCHOXGCUOEOE-GOSISDBHSA-N 1 3 343.471 1.403 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NCCc3ccccn3)CC2)CC1 ZINC000051674610 138135481 /nfs/dbraw/zinc/13/54/81/138135481.db2.gz RDAIOKUBSKKBCG-UHFFFAOYSA-N 1 3 345.491 1.482 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093361107 138293365 /nfs/dbraw/zinc/29/33/65/138293365.db2.gz YUTWTBACTZPKBY-GOSISDBHSA-N 1 3 344.503 1.787 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093361107 138293366 /nfs/dbraw/zinc/29/33/66/138293366.db2.gz YUTWTBACTZPKBY-GOSISDBHSA-N 1 3 344.503 1.787 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000123969508 138322640 /nfs/dbraw/zinc/32/26/40/138322640.db2.gz OSJVJONOSWRFID-HNNXBMFYSA-N 1 3 346.475 1.677 20 0 EDADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CCN(CCN(C)C)CC2)c1 ZINC000564792122 306364905 /nfs/dbraw/zinc/36/49/05/306364905.db2.gz CGUMRGBPVLEHPX-LJQANCHMSA-N 1 3 349.519 1.659 20 0 EDADHO CC[N@@H+]1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000414002469 304093465 /nfs/dbraw/zinc/09/34/65/304093465.db2.gz AQDHYFBXYTWLKB-KRWDZBQOSA-N 1 3 330.476 1.409 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000414002469 304093467 /nfs/dbraw/zinc/09/34/67/304093467.db2.gz AQDHYFBXYTWLKB-KRWDZBQOSA-N 1 3 330.476 1.409 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@H](C)O3)CC2)CC1 ZINC000565210333 306378515 /nfs/dbraw/zinc/37/85/15/306378515.db2.gz WJCVJXONXBUGJZ-YJBOKZPZSA-N 1 3 337.508 1.866 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)c3ncon3)CC2)CC1 ZINC000565493371 306385352 /nfs/dbraw/zinc/38/53/52/306385352.db2.gz QGPCDCYSWUXUOC-CYBMUJFWSA-N 1 3 335.452 1.443 20 0 EDADHO CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CS1 ZINC000414488481 304119098 /nfs/dbraw/zinc/11/90/98/304119098.db2.gz UIJAWWAMJDMROJ-IRXDYDNUSA-N 1 3 341.565 1.903 20 0 EDADHO C[NH+]1CCC(CNCc2cn3ccccc3n2)(N2CCOCC2)CC1 ZINC000414485919 304119213 /nfs/dbraw/zinc/11/92/13/304119213.db2.gz PYSWUTQIHABLKH-UHFFFAOYSA-N 1 3 343.475 1.221 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000414703069 304129693 /nfs/dbraw/zinc/12/96/93/304129693.db2.gz LNHVRMQEACWLQY-OAHLLOKOSA-N 1 3 346.475 1.583 20 0 EDADHO C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CCC[C@@H](C)C1 ZINC000414701680 304130033 /nfs/dbraw/zinc/13/00/33/304130033.db2.gz KNZWXVITVDMKRL-KFWWJZLASA-N 1 3 346.475 1.881 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000414740189 304135415 /nfs/dbraw/zinc/13/54/15/304135415.db2.gz JOCXUBHCPXUYIV-GJZGRUSLSA-N 1 3 346.475 1.581 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000414762108 304138317 /nfs/dbraw/zinc/13/83/17/304138317.db2.gz VKNXLXDUTNGNLU-ICSRJNTNSA-N 1 3 345.487 1.253 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000414762108 304138318 /nfs/dbraw/zinc/13/83/18/304138318.db2.gz VKNXLXDUTNGNLU-ICSRJNTNSA-N 1 3 345.487 1.253 20 0 EDADHO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)N)CC2)cc1 ZINC000414828133 304145508 /nfs/dbraw/zinc/14/55/08/304145508.db2.gz ZAMZHARXVYNUJQ-CQSZACIVSA-N 1 3 325.478 1.475 20 0 EDADHO CC[C@@H]([NH3+])CNC1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414989306 304148252 /nfs/dbraw/zinc/14/82/52/304148252.db2.gz MYWYZYNUJVLQFI-CYBMUJFWSA-N 1 3 341.477 1.175 20 0 EDADHO CC(C)n1ccc(C[C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989754 304148877 /nfs/dbraw/zinc/14/88/77/304148877.db2.gz QYLHSNNKLRHGLE-HIFRSBDPSA-N 1 3 347.429 1.821 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000415080101 304158163 /nfs/dbraw/zinc/15/81/63/304158163.db2.gz ITNUTILMRQPFAA-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO NC(=O)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100190 304160161 /nfs/dbraw/zinc/16/01/61/304160161.db2.gz HQTCSZGNGMPPQG-XOYOTBSWSA-N 1 3 333.451 1.980 20 0 EDADHO Cc1ccsc1CN1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132108 304162573 /nfs/dbraw/zinc/16/25/73/304162573.db2.gz AEUNWTSZCYZOSW-GJZGRUSLSA-N 1 3 334.489 1.777 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000415139045 304163519 /nfs/dbraw/zinc/16/35/19/304163519.db2.gz HSKAIYYJPPGRHE-CJNGLKHVSA-N 1 3 330.432 1.040 20 0 EDADHO CCCCN1CCCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236754662 139030410 /nfs/dbraw/zinc/03/04/10/139030410.db2.gz KOYHNBMYOMIPFQ-INIZCTEOSA-N 1 3 348.495 1.587 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000415978818 284328315 /nfs/dbraw/zinc/32/83/15/284328315.db2.gz VPSIYLBQKWFCPG-INIZCTEOSA-N 1 3 348.447 1.137 20 0 EDADHO O=C(Nc1ccc2c(c1)CNCCO2)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000415978818 284328318 /nfs/dbraw/zinc/32/83/18/284328318.db2.gz VPSIYLBQKWFCPG-INIZCTEOSA-N 1 3 348.447 1.137 20 0 EDADHO COCCNCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237202283 139043924 /nfs/dbraw/zinc/04/39/24/139043924.db2.gz LTKFIWSSMAWRMS-MRXNPFEDSA-N 1 3 333.476 1.771 20 0 EDADHO COCCNCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237202283 139043925 /nfs/dbraw/zinc/04/39/25/139043925.db2.gz LTKFIWSSMAWRMS-MRXNPFEDSA-N 1 3 333.476 1.771 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000237958282 139065051 /nfs/dbraw/zinc/06/50/51/139065051.db2.gz HTCLRQTURLPPKV-LSDHHAIUSA-N 1 3 325.522 1.982 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1 ZINC000415232768 304177374 /nfs/dbraw/zinc/17/73/74/304177374.db2.gz QZTUEJHGMCLRSR-PBHICJAKSA-N 1 3 344.459 1.430 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C1CCOCC1)c1ccccc1 ZINC000261669358 139215858 /nfs/dbraw/zinc/21/58/58/139215858.db2.gz GEUOXKQABWKQNX-ROUUACIJSA-N 1 3 333.476 1.940 20 0 EDADHO NC1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000261689667 139217866 /nfs/dbraw/zinc/21/78/66/139217866.db2.gz DBFVQQRRBXRIPH-UHFFFAOYSA-N 1 3 347.459 1.285 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261698753 139218582 /nfs/dbraw/zinc/21/85/82/139218582.db2.gz HXNHRPKIWLZLIR-GOEBONIOSA-N 1 3 325.497 1.757 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](N)C2CCOCC2)C1 ZINC000261698753 139218583 /nfs/dbraw/zinc/21/85/83/139218583.db2.gz HXNHRPKIWLZLIR-GOEBONIOSA-N 1 3 325.497 1.757 20 0 EDADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@H]3CN)ccc21 ZINC000415487359 304223912 /nfs/dbraw/zinc/22/39/12/304223912.db2.gz RSGVRXPTMNWKSR-HOCLYGCPSA-N 1 3 330.432 1.124 20 0 EDADHO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000261990868 139242338 /nfs/dbraw/zinc/24/23/38/139242338.db2.gz DVIQCTNSKGLDPY-INIZCTEOSA-N 1 3 327.494 1.790 20 0 EDADHO Cn1cnc2cc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])ccc21 ZINC000262075220 139248798 /nfs/dbraw/zinc/24/87/98/139248798.db2.gz SLLCCXIIEXIIFP-HNNXBMFYSA-N 1 3 329.448 1.393 20 0 EDADHO O=C(NC[C@@H]1CCCN(CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128165 139253321 /nfs/dbraw/zinc/25/33/21/139253321.db2.gz CUEMRZGXOQOIOV-MAUKXSAKSA-N 1 3 349.450 1.785 20 0 EDADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000262129546 139253366 /nfs/dbraw/zinc/25/33/66/139253366.db2.gz NWDZGJZOLFFWDJ-WBVHZDCISA-N 1 3 334.464 1.026 20 0 EDADHO COC(=O)[C@H](C)Oc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184229 139258260 /nfs/dbraw/zinc/25/82/60/139258260.db2.gz XGUBLMXXVCQKCG-RDJZCZTQSA-N 1 3 347.459 1.106 20 0 EDADHO CN(CCCNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874310 251114804 /nfs/dbraw/zinc/11/48/04/251114804.db2.gz PHNPGKKFJUTJSV-AWEZNQCLSA-N 1 3 328.407 1.790 20 0 EDADHO CC[C@@H](CNC(=O)NCC[NH2+]CCOC)N1CCc2ccccc2C1 ZINC000417008976 251128066 /nfs/dbraw/zinc/12/80/66/251128066.db2.gz JNWJUBWEEMNIBT-SFHVURJKSA-N 1 3 348.491 1.359 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CNCCO1)Cc1ccccc1 ZINC000416997464 251122604 /nfs/dbraw/zinc/12/26/04/251122604.db2.gz AGSDCMMBKXLAMU-QZTJIDSGSA-N 1 3 348.491 1.227 20 0 EDADHO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)N1CCC(Cc2ccccc2)CC1 ZINC000262344891 139271797 /nfs/dbraw/zinc/27/17/97/139271797.db2.gz TZWQNDRVEXTTFI-ATZDWAIDSA-N 1 3 345.487 1.026 20 0 EDADHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417550817 251187426 /nfs/dbraw/zinc/18/74/26/251187426.db2.gz MJZJGYVKBWCRBR-QGZVFWFLSA-N 1 3 346.475 1.195 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567535 251190462 /nfs/dbraw/zinc/19/04/62/251190462.db2.gz NWISUJHRHXQKSF-QGZVFWFLSA-N 1 3 340.512 1.648 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417566773 251191055 /nfs/dbraw/zinc/19/10/55/251191055.db2.gz MZHCIRLFJUSOTD-LSDHHAIUSA-N 1 3 326.485 1.175 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000417831404 251288549 /nfs/dbraw/zinc/28/85/49/251288549.db2.gz QSOOZYLHHSDSBV-GXTWGEPZSA-N 1 3 328.420 1.777 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417813868 251279838 /nfs/dbraw/zinc/27/98/38/251279838.db2.gz AJSLJRHADIHZQR-WMLDXEAASA-N 1 3 339.443 1.494 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000418109376 251325611 /nfs/dbraw/zinc/32/56/11/251325611.db2.gz CMYJGRMSIWUJRE-INIZCTEOSA-N 1 3 338.496 1.543 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418319165 251359828 /nfs/dbraw/zinc/35/98/28/251359828.db2.gz OJCJTJJZCRPJIR-INIZCTEOSA-N 1 3 336.455 1.899 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418640637 251381798 /nfs/dbraw/zinc/38/17/98/251381798.db2.gz RBXTZRGGSOKDCK-FHLIZLRMSA-N 1 3 330.476 1.855 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418640637 251381803 /nfs/dbraw/zinc/38/18/03/251381803.db2.gz RBXTZRGGSOKDCK-FHLIZLRMSA-N 1 3 330.476 1.855 20 0 EDADHO CN(CCN1CCN(C(=O)C[NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000262667395 139294816 /nfs/dbraw/zinc/29/48/16/139294816.db2.gz QAGZCLWESGGEMX-UHFFFAOYSA-N 1 3 344.503 1.262 20 0 EDADHO CN(C(=O)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000420326882 251673804 /nfs/dbraw/zinc/67/38/04/251673804.db2.gz XUZMGWGUSPRQPQ-KRWDZBQOSA-N 1 3 336.524 1.395 20 0 EDADHO CCC[C@](C)([NH3+])C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000262716381 139298623 /nfs/dbraw/zinc/29/86/23/139298623.db2.gz VPHPWMIPPTULSK-SFHVURJKSA-N 1 3 334.464 1.112 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000262850547 139307848 /nfs/dbraw/zinc/30/78/48/139307848.db2.gz ZOASLBTXYRBVIW-GJZGRUSLSA-N 1 3 329.510 1.041 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000262864932 139308999 /nfs/dbraw/zinc/30/89/99/139308999.db2.gz ULLDXQHXLZQIGY-HKUYNNGSSA-N 1 3 344.503 1.621 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1cccc(C(F)(F)F)n1 ZINC000423009296 252026139 /nfs/dbraw/zinc/02/61/39/252026139.db2.gz CNFCBNRHWISOBK-TUAOUCFPSA-N 1 3 333.354 1.821 20 0 EDADHO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)[C@H]1CCCCN1 ZINC000422906900 252018262 /nfs/dbraw/zinc/01/82/62/252018262.db2.gz VZIOYFOGGGTMLE-GVDBMIGSSA-N 1 3 327.538 1.705 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000424005350 252112987 /nfs/dbraw/zinc/11/29/87/252112987.db2.gz STCAIBFWMAQPNW-FUHWJXTLSA-N 1 3 344.503 1.885 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140039 252140593 /nfs/dbraw/zinc/14/05/93/252140593.db2.gz AWVURSUHGMVUBU-QLFBSQMISA-N 1 3 334.468 1.053 20 0 EDADHO O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424482187 252248989 /nfs/dbraw/zinc/24/89/89/252248989.db2.gz SZJIDBRHOPJSPR-RCCFBDPRSA-N 1 3 328.460 1.654 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059374 /nfs/dbraw/zinc/05/93/74/285059374.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 1 3 340.512 1.373 20 0 EDADHO COCCN1CC[C@H](NC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059376 /nfs/dbraw/zinc/05/93/76/285059376.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 1 3 340.512 1.373 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471646488 255015028 /nfs/dbraw/zinc/01/50/28/255015028.db2.gz VOBAZWDZSLQJGI-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCOCCN(C)C)C1 ZINC000471646488 255015030 /nfs/dbraw/zinc/01/50/30/255015030.db2.gz VOBAZWDZSLQJGI-INIZCTEOSA-N 1 3 342.528 1.764 20 0 EDADHO CN(C)CCOCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000471646094 255015330 /nfs/dbraw/zinc/01/53/30/255015330.db2.gz SWKCGEPMWPUVPO-UHFFFAOYSA-N 1 3 340.512 1.518 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796068 285243573 /nfs/dbraw/zinc/24/35/73/285243573.db2.gz FLGMNHSEZZTNCU-IAGOWNOFSA-N 1 3 340.512 1.423 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796068 285243574 /nfs/dbraw/zinc/24/35/74/285243574.db2.gz FLGMNHSEZZTNCU-IAGOWNOFSA-N 1 3 340.512 1.423 20 0 EDADHO C[C@@H]1CCCN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496119217 255354981 /nfs/dbraw/zinc/35/49/81/255354981.db2.gz FFSGQOAEPKIZPO-CYBMUJFWSA-N 1 3 327.473 1.357 20 0 EDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164419 255359895 /nfs/dbraw/zinc/35/98/95/255359895.db2.gz BPADJVTVHSDICV-CRAIPNDOSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164419 255359896 /nfs/dbraw/zinc/35/98/96/255359896.db2.gz BPADJVTVHSDICV-CRAIPNDOSA-N 1 3 343.512 1.972 20 0 EDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164419 255359897 /nfs/dbraw/zinc/35/98/97/255359897.db2.gz BPADJVTVHSDICV-CRAIPNDOSA-N 1 3 343.512 1.972 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)(C)O ZINC000361778677 285277775 /nfs/dbraw/zinc/27/77/75/285277775.db2.gz ICHMSJIEKTWUDG-HNNXBMFYSA-N 1 3 328.501 1.205 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)(C)O ZINC000361778677 285277779 /nfs/dbraw/zinc/27/77/79/285277779.db2.gz ICHMSJIEKTWUDG-HNNXBMFYSA-N 1 3 328.501 1.205 20 0 EDADHO COc1c(C)cnc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000171792283 533412083 /nfs/dbraw/zinc/41/20/83/533412083.db2.gz ZGKJAIWAUMEMQF-UHFFFAOYSA-N 1 3 348.491 1.597 20 0 EDADHO CSCC[C@@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000166180368 533604181 /nfs/dbraw/zinc/60/41/81/533604181.db2.gz BBXHXXRMWRTNOU-CQSZACIVSA-N 1 3 325.478 1.324 20 0 EDADHO CC(C)[N@H+]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC000333315744 141297845 /nfs/dbraw/zinc/29/78/45/141297845.db2.gz OVGBHYJKCPCXCU-HOTGVXAUSA-N 1 3 339.528 1.040 20 0 EDADHO CC(C)[N@@H+]1C[C@H](NC(=O)NCCN2CCN(C)C(C)(C)C2)[C@@H](C)C1 ZINC000333315744 141297846 /nfs/dbraw/zinc/29/78/46/141297846.db2.gz OVGBHYJKCPCXCU-HOTGVXAUSA-N 1 3 339.528 1.040 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481113 141324351 /nfs/dbraw/zinc/32/43/51/141324351.db2.gz CBXQCJMYNORVAY-UXLLHSPISA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2CCN(c3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000333570974 141338748 /nfs/dbraw/zinc/33/87/48/141338748.db2.gz MKZOKXMGPDOCDB-PBHICJAKSA-N 1 3 331.464 1.677 20 0 EDADHO C[C@@H]1CCN(C(=O)NCC2CCN(c3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000333580547 141340123 /nfs/dbraw/zinc/34/01/23/141340123.db2.gz NQWOJJGBWUHXOH-NVXWUHKLSA-N 1 3 345.491 1.924 20 0 EDADHO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000339277024 142001324 /nfs/dbraw/zinc/00/13/24/142001324.db2.gz WKXDEFIZQLLUSW-HOTGVXAUSA-N 1 3 326.481 1.935 20 0 EDADHO CC[C@H](C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[NH+](CC)CC ZINC000345429146 143090160 /nfs/dbraw/zinc/09/01/60/143090160.db2.gz JAGRIQMWAQDWJA-MRXNPFEDSA-N 1 3 340.512 1.119 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346227118 143180992 /nfs/dbraw/zinc/18/09/92/143180992.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)N(C)C1 ZINC000346227118 143180993 /nfs/dbraw/zinc/18/09/93/143180993.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 1 3 340.512 1.467 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)N(C)C1 ZINC000346248458 143183330 /nfs/dbraw/zinc/18/33/30/143183330.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)N(C)C1 ZINC000346248458 143183331 /nfs/dbraw/zinc/18/33/31/143183331.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 1 3 340.512 1.610 20 0 EDADHO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)CNC2 ZINC000347515615 143331145 /nfs/dbraw/zinc/33/11/45/143331145.db2.gz FZPKIEGXCFBHCW-UHFFFAOYSA-N 1 3 329.444 1.665 20 0 EDADHO CO[C@H]1C[C@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)N(C)C1 ZINC000348032868 143394043 /nfs/dbraw/zinc/39/40/43/143394043.db2.gz PHIDPNMKDONNGL-SJORKVTESA-N 1 3 338.496 1.221 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000418582774 296583196 /nfs/dbraw/zinc/58/31/96/296583196.db2.gz VUFVEXAOIJGBIG-RHSMWYFYSA-N 1 3 336.455 1.897 20 0 EDADHO COc1cccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)N2CCCC2)c1 ZINC000416840822 304350647 /nfs/dbraw/zinc/35/06/47/304350647.db2.gz GGSDAXRSPRKNDT-CRAIPNDOSA-N 1 3 346.475 1.741 20 0 EDADHO C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416967851 304356890 /nfs/dbraw/zinc/35/68/90/304356890.db2.gz HVIREPSEHKHATK-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000416969543 304357213 /nfs/dbraw/zinc/35/72/13/304357213.db2.gz KUJSIFXCFVWVII-UHFFFAOYSA-N 1 3 334.464 1.507 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416969703 304357346 /nfs/dbraw/zinc/35/73/46/304357346.db2.gz LDTNIMIIZPJBHP-LSDHHAIUSA-N 1 3 334.464 1.519 20 0 EDADHO C[C@H](NC(=O)NCc1cccc(OCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000416981293 304360707 /nfs/dbraw/zinc/36/07/07/304360707.db2.gz ZWBBUUKLUZUWTH-RDJZCZTQSA-N 1 3 348.491 1.814 20 0 EDADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000355518641 150300901 /nfs/dbraw/zinc/30/09/01/150300901.db2.gz DNFWTSHQIOVDJS-FUHWJXTLSA-N 1 3 332.492 1.895 20 0 EDADHO O=C(NCCCN1CCc2ccccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417036991 304364180 /nfs/dbraw/zinc/36/41/80/304364180.db2.gz SZFIGRBMCACSSP-FQEVSTJZSA-N 1 3 342.487 1.830 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000417062680 304367800 /nfs/dbraw/zinc/36/78/00/304367800.db2.gz HFHGHTXUFNGAKI-UHFFFAOYSA-N 1 3 348.491 1.788 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)C(=O)N(CCN(C)C)C(C)C)CC1 ZINC000357683631 151115003 /nfs/dbraw/zinc/11/50/03/151115003.db2.gz TXUZIQZDQZYADO-UHFFFAOYSA-N 1 3 340.512 1.166 20 0 EDADHO CC[N@H+](Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1)C(C)C ZINC000358056983 151250603 /nfs/dbraw/zinc/25/06/03/151250603.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 1 3 333.476 1.713 20 0 EDADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1)C(C)C ZINC000358056983 151250605 /nfs/dbraw/zinc/25/06/05/151250605.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 1 3 333.476 1.713 20 0 EDADHO CC[N@@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141506 151286722 /nfs/dbraw/zinc/28/67/22/151286722.db2.gz PNTMUNNVQWKPNV-WMZOPIPTSA-N 1 3 336.524 1.251 20 0 EDADHO CC[N@H+]1CC[C@H](NCCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141506 151286725 /nfs/dbraw/zinc/28/67/25/151286725.db2.gz PNTMUNNVQWKPNV-WMZOPIPTSA-N 1 3 336.524 1.251 20 0 EDADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(C)C ZINC000360849516 152228769 /nfs/dbraw/zinc/22/87/69/152228769.db2.gz MMIDIRPNGMLXOY-DLBZAZTESA-N 1 3 340.512 1.658 20 0 EDADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ncccn3)CC2)CCN1C ZINC000361109683 152308932 /nfs/dbraw/zinc/30/89/32/152308932.db2.gz NPZIHHPLRLLWKV-ROUUACIJSA-N 1 3 346.523 1.451 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000363597265 153008919 /nfs/dbraw/zinc/00/89/19/153008919.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO COCCN(C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363597265 153008920 /nfs/dbraw/zinc/00/89/20/153008920.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 1 3 325.497 1.726 20 0 EDADHO COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)N2CCCC2)cc1 ZINC000364217105 153177643 /nfs/dbraw/zinc/17/76/43/153177643.db2.gz SYKPKBWHXRKZSX-WSTZPKSXSA-N 1 3 343.471 1.948 20 0 EDADHO CN(C)S(=O)(=O)CCN1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367133415 154018866 /nfs/dbraw/zinc/01/88/66/154018866.db2.gz MOUSHIWRQZQJCY-AWEZNQCLSA-N 1 3 329.510 1.074 20 0 EDADHO CN(C)S(=O)(=O)CCN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367133415 154018869 /nfs/dbraw/zinc/01/88/69/154018869.db2.gz MOUSHIWRQZQJCY-AWEZNQCLSA-N 1 3 329.510 1.074 20 0 EDADHO CN(CCc1ccnn1C)[C@H]1CCC[N@H+](CCc2ccnn2C)CC1 ZINC000367179033 154031014 /nfs/dbraw/zinc/03/10/14/154031014.db2.gz CTBVEJIPAPXXPI-KRWDZBQOSA-N 1 3 344.507 1.725 20 0 EDADHO CN(CCc1ccnn1C)[C@H]1CCC[N@@H+](CCc2ccnn2C)CC1 ZINC000367179033 154031017 /nfs/dbraw/zinc/03/10/17/154031017.db2.gz CTBVEJIPAPXXPI-KRWDZBQOSA-N 1 3 344.507 1.725 20 0 EDADHO CC(C)[NH+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(C)C ZINC000369027085 154830890 /nfs/dbraw/zinc/83/08/90/154830890.db2.gz LAMKVBGMWYUAJH-CVEARBPZSA-N 1 3 326.485 1.268 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417358646 304394691 /nfs/dbraw/zinc/39/46/91/304394691.db2.gz HWYCNFFZIAHYHY-KRWDZBQOSA-N 1 3 348.491 1.944 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CCO1 ZINC000369435560 155032334 /nfs/dbraw/zinc/03/23/34/155032334.db2.gz KTKDJQJGCIWKBE-INIZCTEOSA-N 1 3 328.501 1.471 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175734435 292335129 /nfs/dbraw/zinc/33/51/29/292335129.db2.gz XMJHWJTXCTUQCD-QGZVFWFLSA-N 1 3 340.512 1.615 20 0 EDADHO CCN(CC)CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373982844 157093345 /nfs/dbraw/zinc/09/33/45/157093345.db2.gz NMNVVVFYVDZHGV-HOTGVXAUSA-N 1 3 325.497 1.676 20 0 EDADHO COCCCN1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378201970 158107650 /nfs/dbraw/zinc/10/76/50/158107650.db2.gz LZCQJYDCGBGACI-INIZCTEOSA-N 1 3 325.497 1.583 20 0 EDADHO COC(=O)c1cc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)oc1C ZINC000378424332 158170203 /nfs/dbraw/zinc/17/02/03/158170203.db2.gz DTBFDVAZQSWHKQ-INIZCTEOSA-N 1 3 349.475 1.975 20 0 EDADHO C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)N1CCC(C)CC1 ZINC000496509931 286854961 /nfs/dbraw/zinc/85/49/61/286854961.db2.gz AMHRQWMVYGVKIO-AWEZNQCLSA-N 1 3 341.500 1.745 20 0 EDADHO CC(C)[C@H](CNC(=O)NC[C@]1(N(C)C)CCSC1)[NH+]1CCCC1 ZINC000360668113 162297108 /nfs/dbraw/zinc/29/71/08/162297108.db2.gz DLZICPRCQQEXAB-DOTOQJQBSA-N 1 3 342.553 1.843 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000072826571 287257511 /nfs/dbraw/zinc/25/75/11/287257511.db2.gz BPAVYKISWWSJAK-UHFFFAOYSA-N 1 3 330.476 1.654 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418338438 304482901 /nfs/dbraw/zinc/48/29/01/304482901.db2.gz KZLOWOSXYOQMIF-PBHICJAKSA-N 1 3 334.464 1.597 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000665763575 452345876 /nfs/dbraw/zinc/34/58/76/452345876.db2.gz GBUMOMVRMFKDGQ-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000665763575 452345893 /nfs/dbraw/zinc/34/58/93/452345893.db2.gz GBUMOMVRMFKDGQ-XHSDSOJGSA-N 1 3 328.501 1.061 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000237104427 273007795 /nfs/dbraw/zinc/00/77/95/273007795.db2.gz BBELCSAUWNAOGM-KRWDZBQOSA-N 1 3 332.492 1.561 20 0 EDADHO C[C@H](NC[C@@H]1CN(C)CCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972302 268253947 /nfs/dbraw/zinc/25/39/47/268253947.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H](NC[C@@H]1CN(C)CCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274972302 268253948 /nfs/dbraw/zinc/25/39/48/268253948.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 1 3 330.520 1.732 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274972302 268253949 /nfs/dbraw/zinc/25/39/49/268253949.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 1 3 330.520 1.732 20 0 EDADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283964665 274028891 /nfs/dbraw/zinc/02/88/91/274028891.db2.gz GHNRHXZPMVWRGI-UHFFFAOYSA-N 1 3 348.491 1.163 20 0 EDADHO CC(C)CN1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988446 277389640 /nfs/dbraw/zinc/38/96/40/277389640.db2.gz FCBIAGWWESWIQS-MRXNPFEDSA-N 1 3 333.480 1.612 20 0 EDADHO CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)S(C)(=O)=O ZINC000316447812 279185149 /nfs/dbraw/zinc/18/51/49/279185149.db2.gz FWQSOKDBVBAPKU-ARFHVFGLSA-N 1 3 331.526 1.558 20 0 EDADHO CCN(CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447812 279185151 /nfs/dbraw/zinc/18/51/51/279185151.db2.gz FWQSOKDBVBAPKU-ARFHVFGLSA-N 1 3 331.526 1.558 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000355142399 279302704 /nfs/dbraw/zinc/30/27/04/279302704.db2.gz WESRBSMLKYBYKU-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000355142399 279302705 /nfs/dbraw/zinc/30/27/05/279302705.db2.gz WESRBSMLKYBYKU-YESZJQIVSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CCCOC)CC1 ZINC000369852104 279309935 /nfs/dbraw/zinc/30/99/35/279309935.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(CCCOC)CC1 ZINC000369852104 279309937 /nfs/dbraw/zinc/30/99/37/279309937.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 1 3 326.485 1.225 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354251 /nfs/dbraw/zinc/35/42/51/279354251.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354253 /nfs/dbraw/zinc/35/42/53/279354253.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 1 3 339.528 1.184 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000345836547 279375650 /nfs/dbraw/zinc/37/56/50/279375650.db2.gz CWOLUZOPCLPSFM-ZWKOTPCHSA-N 1 3 344.503 1.833 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547859 288129252 /nfs/dbraw/zinc/12/92/52/288129252.db2.gz VOVRBHZETIOGGA-UWWQBHOKSA-N 1 3 334.508 1.842 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364644242 280098671 /nfs/dbraw/zinc/09/86/71/280098671.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000364644242 280098674 /nfs/dbraw/zinc/09/86/74/280098674.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 1 3 328.501 1.205 20 0 EDADHO CC[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)N1CCc2ccccc2C1 ZINC000417024319 280142856 /nfs/dbraw/zinc/14/28/56/280142856.db2.gz XADZQJKXMRBNTR-ROUUACIJSA-N 1 3 330.476 1.860 20 0 EDADHO CC[C@@H](C)N(CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000287356913 288218231 /nfs/dbraw/zinc/21/82/31/288218231.db2.gz LPPFOQJTCAHRGK-QGZVFWFLSA-N 1 3 347.503 1.991 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CCCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888874 288348421 /nfs/dbraw/zinc/34/84/21/288348421.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@H]1[C@H](NC(=O)N2CCCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888874 288348424 /nfs/dbraw/zinc/34/84/24/288348424.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CCCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888876 288348652 /nfs/dbraw/zinc/34/86/52/288348652.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1[C@H](NC(=O)N2CCCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000287888876 288348654 /nfs/dbraw/zinc/34/86/54/288348654.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 1 3 330.476 1.997 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)CCN1Cc1ccccc1 ZINC000288042745 288388945 /nfs/dbraw/zinc/38/89/45/288388945.db2.gz MLYLTLGOWRSQHX-NJAFHUGGSA-N 1 3 330.476 1.995 20 0 EDADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1[nH]nc2c1CNCC2 ZINC000188959363 289148145 /nfs/dbraw/zinc/14/81/45/289148145.db2.gz HMABLLALEAMJIC-UHFFFAOYSA-N 1 3 345.422 1.399 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)N[C@H]1CNCCC1(F)F)C1CCCCC1 ZINC000417015241 289359149 /nfs/dbraw/zinc/35/91/49/289359149.db2.gz MFZXNZWUXOLFLH-KGLIPLIRSA-N 1 3 332.439 1.793 20 0 EDADHO CN(C(=O)NC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000418547222 304511205 /nfs/dbraw/zinc/51/12/05/304511205.db2.gz REBBFTQVYQMUDU-QGZVFWFLSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000333627515 297547332 /nfs/dbraw/zinc/54/73/32/297547332.db2.gz GBBGZHXKFPDSEG-ILXVDBEPSA-N 1 3 348.466 1.911 20 0 EDADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754229 447322726 /nfs/dbraw/zinc/32/27/26/447322726.db2.gz NQKMVOWARHEGMI-QLFBSQMISA-N 1 3 346.475 1.566 20 0 EDADHO CC(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)N1CCOCC1 ZINC000298574203 303535283 /nfs/dbraw/zinc/53/52/83/303535283.db2.gz XHQQWXHGFUMXBX-IBGZPJMESA-N 1 3 332.492 1.997 20 0 EDADHO N[C@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(c2ncccn2)CC1 ZINC000422720170 304879058 /nfs/dbraw/zinc/87/90/58/304879058.db2.gz SCOFBQMUBDZBPF-ZWKOTPCHSA-N 1 3 346.523 1.628 20 0 EDADHO O=C(CCC[NH2+][C@@H]1CCCNCC1)N1CCN(c2ccccc2)CC1 ZINC000422914722 304880154 /nfs/dbraw/zinc/88/01/54/304880154.db2.gz VRVOKPCCPYHVFA-GOSISDBHSA-N 1 3 344.503 1.847 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccnc2OCC)CC[NH2+]CC1 ZINC000422965292 304881680 /nfs/dbraw/zinc/88/16/80/304881680.db2.gz OJUXDJDXXGRHSY-CQSZACIVSA-N 1 3 335.448 1.891 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429541886 305031533 /nfs/dbraw/zinc/03/15/33/305031533.db2.gz PPOZUTRLJGEUDS-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000429541886 305031534 /nfs/dbraw/zinc/03/15/34/305031534.db2.gz PPOZUTRLJGEUDS-ZWKOTPCHSA-N 1 3 336.476 1.989 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581875 305057071 /nfs/dbraw/zinc/05/70/71/305057071.db2.gz IJSSMTRUHQVWMT-GOEBONIOSA-N 1 3 332.448 1.462 20 0 EDADHO CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430647491 305061243 /nfs/dbraw/zinc/06/12/43/305061243.db2.gz QCXIFBWUNNFZSZ-UHFFFAOYSA-N 1 3 349.475 1.723 20 0 EDADHO C[NH2+][C@H]1CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000430655122 305061580 /nfs/dbraw/zinc/06/15/80/305061580.db2.gz RDDLFXXQRALKAJ-IBGZPJMESA-N 1 3 344.503 1.323 20 0 EDADHO COCCN(C)CC[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000430907309 305067455 /nfs/dbraw/zinc/06/74/55/305067455.db2.gz CNKUVPIARHQDBH-MJGOQNOKSA-N 1 3 333.476 1.812 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](CCO)[C@@H]2CCCSC2)CC1 ZINC000433193077 305102761 /nfs/dbraw/zinc/10/27/61/305102761.db2.gz OIWMMZCFLCLWNI-QGZVFWFLSA-N 1 3 329.554 1.592 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433328572 305106014 /nfs/dbraw/zinc/10/60/14/305106014.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433328572 305106015 /nfs/dbraw/zinc/10/60/15/305106015.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 1 3 340.512 1.661 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000439214168 305195416 /nfs/dbraw/zinc/19/54/16/305195416.db2.gz NEXJVTUGBOMFGM-ZWKOTPCHSA-N 1 3 337.508 1.866 20 0 EDADHO CCN(CCO)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449246575 305309553 /nfs/dbraw/zinc/30/95/53/305309553.db2.gz CGAICSBSHBMJOI-GOSISDBHSA-N 1 3 333.520 1.986 20 0 EDADHO CCN(CCO)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449246575 305309554 /nfs/dbraw/zinc/30/95/54/305309554.db2.gz CGAICSBSHBMJOI-GOSISDBHSA-N 1 3 333.520 1.986 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000452361294 305392570 /nfs/dbraw/zinc/39/25/70/305392570.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 1 3 337.508 1.747 20 0 EDADHO O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452361294 305392571 /nfs/dbraw/zinc/39/25/71/305392571.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 1 3 337.508 1.747 20 0 EDADHO CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C4CC[NH2+]CC4)no3)[C@H]2C1 ZINC000425897266 447353023 /nfs/dbraw/zinc/35/30/23/447353023.db2.gz SNEYLGJABWMDMB-RYQLBKOJSA-N 1 3 346.475 1.878 20 0 EDADHO COCCOc1cc2c(cc1CNCC1(C)CC[NH2+]CC1)OCO2 ZINC000414910785 447353323 /nfs/dbraw/zinc/35/33/23/447353323.db2.gz SRJOSTQKNKGFHL-UHFFFAOYSA-N 1 3 336.432 1.920 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377791473 447357438 /nfs/dbraw/zinc/35/74/38/447357438.db2.gz FNAUSFFVGAEGTC-IAGOWNOFSA-N 1 3 339.528 1.138 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000377791473 447357439 /nfs/dbraw/zinc/35/74/39/447357439.db2.gz FNAUSFFVGAEGTC-IAGOWNOFSA-N 1 3 339.528 1.138 20 0 EDADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccn1 ZINC000527663392 305855143 /nfs/dbraw/zinc/85/51/43/305855143.db2.gz YYVXZNCFCSUREG-UHFFFAOYSA-N 1 3 326.444 1.971 20 0 EDADHO CC(C)[NH2+]CCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000553981927 306188432 /nfs/dbraw/zinc/18/84/32/306188432.db2.gz VPDLHZFSEPQVPG-LJQANCHMSA-N 1 3 346.519 1.870 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213929 /nfs/dbraw/zinc/21/39/29/306213929.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO CCN1CCN(C(=O)[C@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213930 /nfs/dbraw/zinc/21/39/30/306213930.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 1 3 338.540 1.591 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956742 447374635 /nfs/dbraw/zinc/37/46/35/447374635.db2.gz VPEAZDXOENCVKC-HEHGZKQESA-N 1 3 333.432 1.920 20 0 EDADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC000414956742 447374640 /nfs/dbraw/zinc/37/46/40/447374640.db2.gz VPEAZDXOENCVKC-HEHGZKQESA-N 1 3 333.432 1.920 20 0 EDADHO COC(=O)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414987618 447386813 /nfs/dbraw/zinc/38/68/13/447386813.db2.gz KQEGBOITAVHSOZ-AEFFLSMTSA-N 1 3 345.443 1.210 20 0 EDADHO C[C@H](NC(=O)N[C@@H]1CCCN(CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509069 447393870 /nfs/dbraw/zinc/39/38/70/447393870.db2.gz HVSJCXKJJNMYOJ-LSDHHAIUSA-N 1 3 328.501 1.109 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000422234539 447415036 /nfs/dbraw/zinc/41/50/36/447415036.db2.gz DMGCBWBFFNZPRU-GPANFISMSA-N 1 3 326.485 1.005 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N[C@H](C)CC[NH+](C)C)CC2)c1 ZINC000073643596 441337649 /nfs/dbraw/zinc/33/76/49/441337649.db2.gz OBKDHWQPVBRGEX-GOSISDBHSA-N 1 3 346.519 1.964 20 0 EDADHO COc1cccc([C@@H]2C[C@H]2C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000106773119 441368040 /nfs/dbraw/zinc/36/80/40/441368040.db2.gz NYBWAJYSWZNJAV-ZWKOTPCHSA-N 1 3 333.476 1.751 20 0 EDADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000113515341 441613349 /nfs/dbraw/zinc/61/33/49/441613349.db2.gz SXJLMJUJRZHQQG-INIZCTEOSA-N 1 3 332.448 1.286 20 0 EDADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000113515341 441613352 /nfs/dbraw/zinc/61/33/52/441613352.db2.gz SXJLMJUJRZHQQG-INIZCTEOSA-N 1 3 332.448 1.286 20 0 EDADHO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 ZINC000173517718 441775110 /nfs/dbraw/zinc/77/51/10/441775110.db2.gz VHVWMKYILDANKL-SFHVURJKSA-N 1 3 328.460 1.904 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCC(O)CC2)[C@H](C)C1 ZINC000151363412 442048675 /nfs/dbraw/zinc/04/86/75/442048675.db2.gz PBMJJRMFBIXOON-MJGOQNOKSA-N 1 3 341.540 1.560 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176046496 442166667 /nfs/dbraw/zinc/16/66/67/442166667.db2.gz WADWKSCEHCGRPO-OAHLLOKOSA-N 1 3 348.491 1.842 20 0 EDADHO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176207653 442191931 /nfs/dbraw/zinc/19/19/31/442191931.db2.gz SWOHRCFZTYNLBE-INIZCTEOSA-N 1 3 342.528 1.905 20 0 EDADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CNC[C@H]3CCCO3)C2)CC1 ZINC000166438132 442216385 /nfs/dbraw/zinc/21/63/85/442216385.db2.gz AWJAYNIUEZNEAC-ZWKOTPCHSA-N 1 3 337.508 1.726 20 0 EDADHO COc1cc(CNC(=O)CN(C)C(C)C)ccc1OCC[NH+](C)C ZINC000170627981 442237932 /nfs/dbraw/zinc/23/79/32/442237932.db2.gz ISQPFBRBNLBNIR-UHFFFAOYSA-N 1 3 337.464 1.592 20 0 EDADHO CN1CCCN(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000128679511 442281821 /nfs/dbraw/zinc/28/18/21/442281821.db2.gz JJSGIJHUPPLJEC-UHFFFAOYSA-N 1 3 345.535 1.663 20 0 EDADHO COCCN(C)CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000171189193 442324788 /nfs/dbraw/zinc/32/47/88/442324788.db2.gz JATROWNBJBENJG-MRXNPFEDSA-N 1 3 328.501 1.374 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000131377086 442371200 /nfs/dbraw/zinc/37/12/00/442371200.db2.gz WGVICJCJIGNRQD-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO CN(C)Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000131377086 442371204 /nfs/dbraw/zinc/37/12/04/442371204.db2.gz WGVICJCJIGNRQD-SFHVURJKSA-N 1 3 333.476 1.715 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178875595 442511298 /nfs/dbraw/zinc/51/12/98/442511298.db2.gz HZGWBZVBFUZNOY-GOSISDBHSA-N 1 3 344.503 1.705 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883412 442532040 /nfs/dbraw/zinc/53/20/40/442532040.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134883412 442532042 /nfs/dbraw/zinc/53/20/42/442532042.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 1 3 338.492 1.492 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186590219 442567544 /nfs/dbraw/zinc/56/75/44/442567544.db2.gz NTQJFJNGRBZYJK-IAGOWNOFSA-N 1 3 348.516 1.647 20 0 EDADHO CCOCCO[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192775990 442685544 /nfs/dbraw/zinc/68/55/44/442685544.db2.gz OXOXPKAZNRFUNH-SFHVURJKSA-N 1 3 327.513 1.530 20 0 EDADHO CCOCCO[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192775990 442685547 /nfs/dbraw/zinc/68/55/47/442685547.db2.gz OXOXPKAZNRFUNH-SFHVURJKSA-N 1 3 327.513 1.530 20 0 EDADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H](O)CCc1ccccc1 ZINC000182577701 442790026 /nfs/dbraw/zinc/79/00/26/442790026.db2.gz FEIUHHSRWKHXIX-HXUWFJFHSA-N 1 3 333.520 1.938 20 0 EDADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H](O)CCc1ccccc1 ZINC000182577701 442790028 /nfs/dbraw/zinc/79/00/28/442790028.db2.gz FEIUHHSRWKHXIX-HXUWFJFHSA-N 1 3 333.520 1.938 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000189173523 442891050 /nfs/dbraw/zinc/89/10/50/442891050.db2.gz HTHPWXAWDIWLDG-CPUCHLNUSA-N 1 3 340.489 1.271 20 0 EDADHO C[C@@H](NC[C@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904172 443142328 /nfs/dbraw/zinc/14/23/28/443142328.db2.gz PLZZGANXHZKLAD-KDOFPFPSSA-N 1 3 332.448 1.745 20 0 EDADHO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000268904172 443142332 /nfs/dbraw/zinc/14/23/32/443142332.db2.gz PLZZGANXHZKLAD-KDOFPFPSSA-N 1 3 332.448 1.745 20 0 EDADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(-n2cnnn2)cc1 ZINC000268843249 443124417 /nfs/dbraw/zinc/12/44/17/443124417.db2.gz NWHHAXIXPLPKPS-CQSZACIVSA-N 1 3 330.436 1.160 20 0 EDADHO CCN1CCC([NH2+][C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012410 443172566 /nfs/dbraw/zinc/17/25/66/443172566.db2.gz NDVJGOGMWVAEKT-QUCCMNQESA-N 1 3 331.504 1.943 20 0 EDADHO CC[NH+]1CCC(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000269012410 443172570 /nfs/dbraw/zinc/17/25/70/443172570.db2.gz NDVJGOGMWVAEKT-QUCCMNQESA-N 1 3 331.504 1.943 20 0 EDADHO CN(C)CC[NH+]1CCC(NCc2nccn2-c2ccccc2)CC1 ZINC000190747461 443175089 /nfs/dbraw/zinc/17/50/89/443175089.db2.gz XAIOJRWWLWPLPK-UHFFFAOYSA-N 1 3 327.476 1.988 20 0 EDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCN1C ZINC000269055319 443185195 /nfs/dbraw/zinc/18/51/95/443185195.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 1 3 331.504 1.942 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854023 443215023 /nfs/dbraw/zinc/21/50/23/443215023.db2.gz VRGGJPUIFBRGTQ-OAGGEKHMSA-N 1 3 333.480 1.658 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382909635 319124802 /nfs/dbraw/zinc/12/48/02/319124802.db2.gz WMDASTKCCMTSSL-LSDHHAIUSA-N 1 3 329.485 1.800 20 0 EDADHO COCCN(CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382909635 319124805 /nfs/dbraw/zinc/12/48/05/319124805.db2.gz WMDASTKCCMTSSL-LSDHHAIUSA-N 1 3 329.485 1.800 20 0 EDADHO C[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000382730399 319125191 /nfs/dbraw/zinc/12/51/91/319125191.db2.gz AIKJFFTZGKSUQF-QGZVFWFLSA-N 1 3 345.487 1.878 20 0 EDADHO C[C@@H]1C[C@@H](C)N(CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465524 319134814 /nfs/dbraw/zinc/13/48/14/319134814.db2.gz STHBOBBNKRWUCF-KFWWJZLASA-N 1 3 329.444 1.978 20 0 EDADHO CCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000413511785 319272871 /nfs/dbraw/zinc/27/28/71/319272871.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CCN1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000413511785 319272874 /nfs/dbraw/zinc/27/28/74/319272874.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414206219 319319908 /nfs/dbraw/zinc/31/99/08/319319908.db2.gz YABXYWYVJSAADJ-QGZVFWFLSA-N 1 3 347.507 1.184 20 0 EDADHO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000414666346 319338459 /nfs/dbraw/zinc/33/84/59/319338459.db2.gz WQTDAZRWPQUSRW-UHFFFAOYSA-N 1 3 348.422 1.012 20 0 EDADHO C[C@@H]1C[C@@H](CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414671148 319339285 /nfs/dbraw/zinc/33/92/85/319339285.db2.gz FLCCBKPBRYEVKW-KURKYZTESA-N 1 3 336.524 1.393 20 0 EDADHO CC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414673424 319339709 /nfs/dbraw/zinc/33/97/09/319339709.db2.gz CFYGZOCNXSXDCV-HOTGVXAUSA-N 1 3 347.459 1.346 20 0 EDADHO CC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C[C@H]1COc2ccccc2O1 ZINC000414673424 319339710 /nfs/dbraw/zinc/33/97/10/319339710.db2.gz CFYGZOCNXSXDCV-HOTGVXAUSA-N 1 3 347.459 1.346 20 0 EDADHO O=C(NCCN1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414692270 319343169 /nfs/dbraw/zinc/34/31/69/319343169.db2.gz APIPKTLXVZIGCY-UHFFFAOYSA-N 1 3 344.459 1.263 20 0 EDADHO Cc1cc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])ccc1CN(C)C ZINC000415746462 319369504 /nfs/dbraw/zinc/36/95/04/319369504.db2.gz VCBXRRIYABCZNO-AWEZNQCLSA-N 1 3 334.464 1.629 20 0 EDADHO CN(C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999999 319388861 /nfs/dbraw/zinc/38/88/61/319388861.db2.gz XJARSLCDYIJUDF-STQMWFEESA-N 1 3 332.370 1.868 20 0 EDADHO O=C(NC1CCN(CCOc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000269278618 443264395 /nfs/dbraw/zinc/26/43/95/443264395.db2.gz YUMPIEIAPZYDOK-SFHVURJKSA-N 1 3 349.450 1.927 20 0 EDADHO COC[C@@]1(CNC(=O)NC[C@H](Cc2ccccc2)N(C)C)CCC[NH2+]1 ZINC000416826544 319464357 /nfs/dbraw/zinc/46/43/57/319464357.db2.gz BWHYQICAMRMKLQ-HKUYNNGSSA-N 1 3 348.491 1.227 20 0 EDADHO CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000419011668 319541958 /nfs/dbraw/zinc/54/19/58/319541958.db2.gz SRCMDVOZLWJQCZ-QGZVFWFLSA-N 1 3 346.475 1.094 20 0 EDADHO COc1ccc([O-])c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000267228539 443385706 /nfs/dbraw/zinc/38/57/06/443385706.db2.gz VOXKOBMMMFEXGL-UHFFFAOYSA-N 1 3 337.464 1.746 20 0 EDADHO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1 ZINC000423318050 319763824 /nfs/dbraw/zinc/76/38/24/319763824.db2.gz BXVAABSOIZWRKX-KBXCAEBGSA-N 1 3 331.460 1.970 20 0 EDADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423837785 319821064 /nfs/dbraw/zinc/82/10/64/319821064.db2.gz GTHOQDYMDLUGKD-QGZVFWFLSA-N 1 3 334.464 1.519 20 0 EDADHO C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272376593 443606580 /nfs/dbraw/zinc/60/65/80/443606580.db2.gz BJGXVFPGQYAJLM-IEBWSBKVSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H](NCCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376593 443606582 /nfs/dbraw/zinc/60/65/82/443606582.db2.gz BJGXVFPGQYAJLM-IEBWSBKVSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H](NCCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272376593 443606587 /nfs/dbraw/zinc/60/65/87/443606587.db2.gz BJGXVFPGQYAJLM-IEBWSBKVSA-N 1 3 345.487 1.736 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCN2CCCO)CC1 ZINC000457452380 320326522 /nfs/dbraw/zinc/32/65/22/320326522.db2.gz HLZAFABZMHBPMU-MRXNPFEDSA-N 1 3 326.485 1.005 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063321 320430998 /nfs/dbraw/zinc/43/09/98/320430998.db2.gz RZANZHHWXLDHPB-IAGOWNOFSA-N 1 3 336.524 1.392 20 0 EDADHO C[C@H](O)CN1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285314422 443939488 /nfs/dbraw/zinc/93/94/88/443939488.db2.gz NDMIGIUCEMJUGH-IBGZPJMESA-N 1 3 346.519 1.197 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000293168330 443942012 /nfs/dbraw/zinc/94/20/12/443942012.db2.gz RUVSIEFYMFZEPN-ZWKOTPCHSA-N 1 3 336.476 1.499 20 0 EDADHO COCCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)cc1 ZINC000293168330 443942014 /nfs/dbraw/zinc/94/20/14/443942014.db2.gz RUVSIEFYMFZEPN-ZWKOTPCHSA-N 1 3 336.476 1.499 20 0 EDADHO N[C@H]1CCC[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000565607891 321193891 /nfs/dbraw/zinc/19/38/91/321193891.db2.gz BUOSZXBAJVCWER-GRAKBVBRSA-N 1 3 325.522 1.980 20 0 EDADHO Cc1ccc(OC[C@@H](O)CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000566123816 321218613 /nfs/dbraw/zinc/21/86/13/321218613.db2.gz PGPKEICHJBAEBZ-ROUUACIJSA-N 1 3 336.476 1.825 20 0 EDADHO Cc1ccc(OC[C@@H](O)CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000566123816 321218614 /nfs/dbraw/zinc/21/86/14/321218614.db2.gz PGPKEICHJBAEBZ-ROUUACIJSA-N 1 3 336.476 1.825 20 0 EDADHO CC[C@@H](C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135912 321373823 /nfs/dbraw/zinc/37/38/23/321373823.db2.gz RMLKOGVVLWDKGA-ROUUACIJSA-N 1 3 338.540 1.734 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+]CCCCN1CCN(C)CC1)CO2 ZINC000574607423 321491205 /nfs/dbraw/zinc/49/12/05/321491205.db2.gz JXWZSNQAWWFCIJ-KRWDZBQOSA-N 1 3 333.476 1.616 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289384974 444126565 /nfs/dbraw/zinc/12/65/65/444126565.db2.gz CZMSZRQMWYHYSI-QGZVFWFLSA-N 1 3 349.523 1.564 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289384974 444126566 /nfs/dbraw/zinc/12/65/66/444126566.db2.gz CZMSZRQMWYHYSI-QGZVFWFLSA-N 1 3 349.523 1.564 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000303345866 444236509 /nfs/dbraw/zinc/23/65/09/444236509.db2.gz ZVEZPEFMSYXDTM-GJZGRUSLSA-N 1 3 325.497 1.458 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290100678 444242672 /nfs/dbraw/zinc/24/26/72/444242672.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 1 3 328.460 1.960 20 0 EDADHO Cc1nc2ccccn2c(=O)c1CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290100678 444242675 /nfs/dbraw/zinc/24/26/75/444242675.db2.gz WVNUBNPVEKKUBO-ZBFHGGJFSA-N 1 3 328.460 1.960 20 0 EDADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCNCc1cccnc1 ZINC000578191323 321735562 /nfs/dbraw/zinc/73/55/62/321735562.db2.gz AXYRZOITDHRYAK-SFHVURJKSA-N 1 3 348.491 1.471 20 0 EDADHO CC(C)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)N1CCN(C)CC1 ZINC000327526547 444383393 /nfs/dbraw/zinc/38/33/93/444383393.db2.gz IYDJLHOLWFEYOR-NZSAHSFTSA-N 1 3 346.519 1.711 20 0 EDADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000579112772 321885395 /nfs/dbraw/zinc/88/53/95/321885395.db2.gz NDZJSFKZJNZAOH-LJQANCHMSA-N 1 3 335.492 1.180 20 0 EDADHO O=C(NCC[C@@H]1CC[NH2+]C1)NCC1(N2CCSCC2)CCCC1 ZINC000581359166 322167762 /nfs/dbraw/zinc/16/77/62/322167762.db2.gz VQXYSSMMXCXXFA-HNNXBMFYSA-N 1 3 340.537 1.647 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478101 322181893 /nfs/dbraw/zinc/18/18/93/322181893.db2.gz DRRTZMXTPCYCEB-RYQLBKOJSA-N 1 3 330.476 1.948 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000340857640 444546594 /nfs/dbraw/zinc/54/65/94/444546594.db2.gz ICWZHCKBZRNLIO-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000340857640 444546596 /nfs/dbraw/zinc/54/65/96/444546596.db2.gz ICWZHCKBZRNLIO-ROUUACIJSA-N 1 3 332.492 1.943 20 0 EDADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COc2ccccc21 ZINC000332887134 444586942 /nfs/dbraw/zinc/58/69/42/444586942.db2.gz BSBPNNOCQYZVLO-KDOFPFPSSA-N 1 3 343.471 1.884 20 0 EDADHO CN(C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CCCCC1 ZINC000343781025 444587080 /nfs/dbraw/zinc/58/70/80/444587080.db2.gz ACLFLHCACUKORN-NPYXIHBLSA-N 1 3 335.492 1.428 20 0 EDADHO C[C@@H]1CN(CCCO[C@H]2CCCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000338283712 444610851 /nfs/dbraw/zinc/61/08/51/444610851.db2.gz SVWNEBITDHQSEM-QRVBRYPASA-N 1 3 339.524 1.878 20 0 EDADHO C[C@@H]1CCCN1C(=O)CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343919646 444669105 /nfs/dbraw/zinc/66/91/05/444669105.db2.gz GXELZUDWBDMLJE-KURKYZTESA-N 1 3 336.524 1.345 20 0 EDADHO COc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022905 444733794 /nfs/dbraw/zinc/73/37/94/444733794.db2.gz PJRIEQYFBWRZFB-GOEBONIOSA-N 1 3 349.475 1.942 20 0 EDADHO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CCN(C2CCC2)CC1 ZINC000333707009 444692020 /nfs/dbraw/zinc/69/20/20/444692020.db2.gz RQMZEWUNJIIVKD-UHFFFAOYSA-N 1 3 349.523 1.083 20 0 EDADHO O=C(NC1CCC([NH+]2CCNCC2)CC1)N1CCN(C2CCC2)CC1 ZINC000333707009 444692024 /nfs/dbraw/zinc/69/20/24/444692024.db2.gz RQMZEWUNJIIVKD-UHFFFAOYSA-N 1 3 349.523 1.083 20 0 EDADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C12CCC2 ZINC000344138477 444802049 /nfs/dbraw/zinc/80/20/49/444802049.db2.gz NJPJCWFAIACFDA-ROUUACIJSA-N 1 3 339.524 1.314 20 0 EDADHO COC(=O)CC[C@H](N)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000342691675 444816432 /nfs/dbraw/zinc/81/64/32/444816432.db2.gz IHNXJSCEQNFXCT-YOEHRIQHSA-N 1 3 347.459 1.609 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342889265 444921308 /nfs/dbraw/zinc/92/13/08/444921308.db2.gz FJPFBENGLDQKCX-OAHLLOKOSA-N 1 3 331.460 1.841 20 0 EDADHO CN(C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000342889265 444921313 /nfs/dbraw/zinc/92/13/13/444921313.db2.gz FJPFBENGLDQKCX-OAHLLOKOSA-N 1 3 331.460 1.841 20 0 EDADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCN(C)CC2)[C@@H](C)C1 ZINC000337326131 445034323 /nfs/dbraw/zinc/03/43/23/445034323.db2.gz VWERSUGBASCMCH-RBUKOAKNSA-N 1 3 340.556 1.351 20 0 EDADHO CC(C)N1CCN(CCC[N@H+](C)[C@H](C)CN2CCOCC2)CC1 ZINC000337464478 445092042 /nfs/dbraw/zinc/09/20/42/445092042.db2.gz LYNPYFYKWKOFRZ-GOSISDBHSA-N 1 3 326.529 1.055 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H](C)CN2CCOCC2)CC1 ZINC000337464478 445092045 /nfs/dbraw/zinc/09/20/45/445092045.db2.gz LYNPYFYKWKOFRZ-GOSISDBHSA-N 1 3 326.529 1.055 20 0 EDADHO C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCN3C3CCOCC3)C2)CC1 ZINC000339460818 445144394 /nfs/dbraw/zinc/14/43/94/445144394.db2.gz JRPAMTJODBEOLZ-MJGOQNOKSA-N 1 3 349.519 1.820 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C)no1 ZINC000337582161 445150853 /nfs/dbraw/zinc/15/08/53/445150853.db2.gz ORRJNDCXUROLFQ-HNNXBMFYSA-N 1 3 337.468 1.185 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1nc(C)no1 ZINC000337582161 445150858 /nfs/dbraw/zinc/15/08/58/445150858.db2.gz ORRJNDCXUROLFQ-HNNXBMFYSA-N 1 3 337.468 1.185 20 0 EDADHO CCCC[N@H+](C)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000351639925 445254207 /nfs/dbraw/zinc/25/42/07/445254207.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000351639925 445254208 /nfs/dbraw/zinc/25/42/08/445254208.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 1 3 327.517 1.044 20 0 EDADHO CC[C@@H](C(=O)NC(C)(C)CCN1CCN(C)CC1)[NH+](CC)CC ZINC000354510900 445271142 /nfs/dbraw/zinc/27/11/42/445271142.db2.gz MMUJNSNQPAWRBH-INIZCTEOSA-N 1 3 326.529 1.639 20 0 EDADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343640208 445276527 /nfs/dbraw/zinc/27/65/27/445276527.db2.gz LWPQPPSELSTQLA-OALUTQOASA-N 1 3 342.487 1.157 20 0 EDADHO Cc1nc2sccn2c(=O)c1CCN1CCC(C[NH+](C)C)CC1 ZINC000351854617 445344442 /nfs/dbraw/zinc/34/44/42/445344442.db2.gz ODXNSDKWRVUTJP-UHFFFAOYSA-N 1 3 334.489 1.881 20 0 EDADHO O=C1c2ccccc2C(=O)N1CCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078797 445412347 /nfs/dbraw/zinc/41/23/47/445412347.db2.gz LZXHJEIMKDDPLC-CABCVRRESA-N 1 3 327.428 1.604 20 0 EDADHO Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCOCC[NH3+])C2)cc1 ZINC000357110466 445434509 /nfs/dbraw/zinc/43/45/09/445434509.db2.gz XLWONDCJINXYEH-INIZCTEOSA-N 1 3 334.464 1.804 20 0 EDADHO O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)NC1CCN(C2CC2)CC1 ZINC000348952611 445453054 /nfs/dbraw/zinc/45/30/54/445453054.db2.gz VXBXEAVLGPPIIU-SFHVURJKSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(C[N@H+]1CCC[C@H]1C1CCOCC1)NC1CCN(C2CC2)CC1 ZINC000348952611 445453058 /nfs/dbraw/zinc/45/30/58/445453058.db2.gz VXBXEAVLGPPIIU-SFHVURJKSA-N 1 3 335.492 1.620 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(Cl)cnn1C ZINC000349036243 445483848 /nfs/dbraw/zinc/48/38/48/445483848.db2.gz ODCHFWQITYDKQP-CQSZACIVSA-N 1 3 327.904 1.921 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(Cl)cnn1C ZINC000349036243 445483852 /nfs/dbraw/zinc/48/38/52/445483852.db2.gz ODCHFWQITYDKQP-CQSZACIVSA-N 1 3 327.904 1.921 20 0 EDADHO COC[C@@]1(CNC(=O)c2cccc(CN3CCCC3)c2)CCC[NH2+]1 ZINC000357257048 445510961 /nfs/dbraw/zinc/51/09/61/445510961.db2.gz LADIBJIBHKDSRU-IBGZPJMESA-N 1 3 331.460 1.781 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663030 445485214 /nfs/dbraw/zinc/48/52/14/445485214.db2.gz KMSHCMQBCZWBER-OCCSQVGLSA-N 1 3 346.431 1.292 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000362663030 445485217 /nfs/dbraw/zinc/48/52/17/445485217.db2.gz KMSHCMQBCZWBER-OCCSQVGLSA-N 1 3 346.431 1.292 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000353096212 445575471 /nfs/dbraw/zinc/57/54/71/445575471.db2.gz ILTBLWAKVQCMNH-OAHLLOKOSA-N 1 3 327.517 1.042 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000360170794 445610268 /nfs/dbraw/zinc/61/02/68/445610268.db2.gz KWVJRSCQSPVAMG-UHFFFAOYSA-N 1 3 340.512 1.215 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000360170794 445610269 /nfs/dbraw/zinc/61/02/69/445610269.db2.gz KWVJRSCQSPVAMG-UHFFFAOYSA-N 1 3 340.512 1.215 20 0 EDADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC[C@H]1Cc2ccccc2O1 ZINC000358515564 445627981 /nfs/dbraw/zinc/62/79/81/445627981.db2.gz ZENLXZZBHQKBRN-MRXNPFEDSA-N 1 3 329.444 1.182 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000358518506 445629692 /nfs/dbraw/zinc/62/96/92/445629692.db2.gz KDRBOMDARFTZGK-HNNXBMFYSA-N 1 3 336.480 1.719 20 0 EDADHO CO[C@H](CN)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000353506700 445634723 /nfs/dbraw/zinc/63/47/23/445634723.db2.gz DJJHGTWRAIADHZ-MRXNPFEDSA-N 1 3 348.447 1.413 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360393426 445705181 /nfs/dbraw/zinc/70/51/81/445705181.db2.gz CCCGELUQMLXBFZ-VYDXJSESSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000360393426 445705186 /nfs/dbraw/zinc/70/51/86/445705186.db2.gz CCCGELUQMLXBFZ-VYDXJSESSA-N 1 3 342.553 1.843 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccncc2OCCN(C)C)CC[N@@H+]1C ZINC000356489194 445818408 /nfs/dbraw/zinc/81/84/08/445818408.db2.gz YJLXZIXRSDUDQO-HUUCEWRRSA-N 1 3 334.464 1.369 20 0 EDADHO C[C@@H]1C[C@H](C(=O)NCc2ccncc2OCCN(C)C)CC[N@H+]1C ZINC000356489194 445818410 /nfs/dbraw/zinc/81/84/10/445818410.db2.gz YJLXZIXRSDUDQO-HUUCEWRRSA-N 1 3 334.464 1.369 20 0 EDADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363479688 445821333 /nfs/dbraw/zinc/82/13/33/445821333.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363479688 445821336 /nfs/dbraw/zinc/82/13/36/445821336.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 1 3 338.496 1.269 20 0 EDADHO CN1CC[NH+](C[C@@H]2CCCN(C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000363455450 445811649 /nfs/dbraw/zinc/81/16/49/445811649.db2.gz DDYXGHTYXQGYCT-RBUKOAKNSA-N 1 3 347.503 1.386 20 0 EDADHO CS[C@@H]1CN(C(=O)[C@@H](C2CC2)N2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000361627093 445854696 /nfs/dbraw/zinc/85/46/96/445854696.db2.gz ZKBAFSAZLRAJPC-BRWVUGGUSA-N 1 3 337.533 1.899 20 0 EDADHO CC(C)[C@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)N1CCCCC1 ZINC000350657525 445873553 /nfs/dbraw/zinc/87/35/53/445873553.db2.gz QDOKKHVVRHVOKP-QGZVFWFLSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@@H](CN1CCOCC1)[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000372942261 445933772 /nfs/dbraw/zinc/93/37/72/445933772.db2.gz AQCZWUKTWBUKJR-KRWDZBQOSA-N 1 3 332.492 1.951 20 0 EDADHO C[C@@H](CN1CCOCC1)[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000372942261 445933776 /nfs/dbraw/zinc/93/37/76/445933776.db2.gz AQCZWUKTWBUKJR-KRWDZBQOSA-N 1 3 332.492 1.951 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915896 /nfs/dbraw/zinc/91/58/96/445915896.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 1 3 334.508 1.841 20 0 EDADHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915904 /nfs/dbraw/zinc/91/59/04/445915904.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 1 3 334.508 1.841 20 0 EDADHO C[NH+](C)CCOCCNCc1cnc2ccc(Br)cn12 ZINC000354186991 445982684 /nfs/dbraw/zinc/98/26/84/445982684.db2.gz JHFVEYOJVFCDSU-UHFFFAOYSA-N 1 3 341.253 1.765 20 0 EDADHO O=C(COC1CNC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000584114273 326202839 /nfs/dbraw/zinc/20/28/39/326202839.db2.gz SWDFYHIKUZKKET-HNNXBMFYSA-N 1 3 335.473 1.207 20 0 EDADHO C[C@H](C[C@H]1COCCN1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000584285842 326234913 /nfs/dbraw/zinc/23/49/13/326234913.db2.gz YBWBWUQZVPITRT-HLLBOEOZSA-N 1 3 333.480 1.401 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000584285843 326235181 /nfs/dbraw/zinc/23/51/81/326235181.db2.gz YBWBWUQZVPITRT-INMHGKMJSA-N 1 3 333.480 1.401 20 0 EDADHO CCN(C[C@H](C)OC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000361992064 446135061 /nfs/dbraw/zinc/13/50/61/446135061.db2.gz FDHLNYJIEFTGFY-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359278902 446113996 /nfs/dbraw/zinc/11/39/96/446113996.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(C)C ZINC000359278902 446114001 /nfs/dbraw/zinc/11/40/01/446114001.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 1 3 340.512 1.070 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446147016 /nfs/dbraw/zinc/14/70/16/446147016.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 1 3 336.524 1.486 20 0 EDADHO C[C@H](C(=O)N1CCN([C@H]2CCCN(C)C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446147022 /nfs/dbraw/zinc/14/70/22/446147022.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 1 3 336.524 1.486 20 0 EDADHO CCCN1CCN(C2CC[NH+](C[C@@H](O)CCOCC)CC2)CC1 ZINC000365635658 446282893 /nfs/dbraw/zinc/28/28/93/446282893.db2.gz PSRNJMNINXXCQZ-SFHVURJKSA-N 1 3 327.513 1.266 20 0 EDADHO CCCCOC(=O)CCN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000362252553 446287269 /nfs/dbraw/zinc/28/72/69/446287269.db2.gz BACFGBPCHVRXAP-QGZVFWFLSA-N 1 3 325.497 1.679 20 0 EDADHO C[C@@H]1C[N@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000365661349 446291921 /nfs/dbraw/zinc/29/19/21/446291921.db2.gz QNYHVOCWJCQGPD-ZBFHGGJFSA-N 1 3 328.464 1.367 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2c[nH]c3nccnc23)CC[C@@H]1N1CCN(C)CC1 ZINC000365661349 446291926 /nfs/dbraw/zinc/29/19/26/446291926.db2.gz QNYHVOCWJCQGPD-ZBFHGGJFSA-N 1 3 328.464 1.367 20 0 EDADHO COc1ccc(CN2CCC(CNC(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000417336698 446346213 /nfs/dbraw/zinc/34/62/13/446346213.db2.gz WCCJTXGNEAHZIF-UHFFFAOYSA-N 1 3 346.475 1.426 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000417523593 446361557 /nfs/dbraw/zinc/36/15/57/446361557.db2.gz IFIFTWHAZTXNCG-SJORKVTESA-N 1 3 348.491 1.596 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374780110 446392630 /nfs/dbraw/zinc/39/26/30/446392630.db2.gz RSQBEMYOVYWSQX-OAHLLOKOSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374780110 446392632 /nfs/dbraw/zinc/39/26/32/446392632.db2.gz RSQBEMYOVYWSQX-OAHLLOKOSA-N 1 3 325.497 1.676 20 0 EDADHO COC(=O)C(C)(C)CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374780110 446392634 /nfs/dbraw/zinc/39/26/34/446392634.db2.gz RSQBEMYOVYWSQX-OAHLLOKOSA-N 1 3 325.497 1.676 20 0 EDADHO CCOc1cc2nccc(NC[C@@H]3C[NH2+]C[C@H]3O)c2cc1OCC ZINC000420251459 446433925 /nfs/dbraw/zinc/43/39/25/446433925.db2.gz LPFKFOKQSDKCGP-BLLLJJGKSA-N 1 3 331.416 1.446 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418095534 446439282 /nfs/dbraw/zinc/43/92/82/446439282.db2.gz GKKDBIHKUPNTKP-INIZCTEOSA-N 1 3 340.512 1.646 20 0 EDADHO C[C@H](NC[C@H](CO)Cc1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000423160754 446442685 /nfs/dbraw/zinc/44/26/85/446442685.db2.gz MZJSNPORYXOUCQ-CMPLNLGQSA-N 1 3 345.256 1.937 20 0 EDADHO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)C1CNC1 ZINC000423160754 446442695 /nfs/dbraw/zinc/44/26/95/446442695.db2.gz MZJSNPORYXOUCQ-CMPLNLGQSA-N 1 3 345.256 1.937 20 0 EDADHO CCS(=O)(=O)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184778 446448132 /nfs/dbraw/zinc/44/81/32/446448132.db2.gz NJEARGZDQJJLAZ-RDJZCZTQSA-N 1 3 338.473 1.657 20 0 EDADHO COC[C@]1(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972492 446404175 /nfs/dbraw/zinc/40/41/75/446404175.db2.gz BOBHVMHNCLUFNI-VQIMIIECSA-N 1 3 348.491 1.575 20 0 EDADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988123 446409468 /nfs/dbraw/zinc/40/94/68/446409468.db2.gz RNXHUBPHFTYVHD-LPHOPBHVSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000417996967 446411092 /nfs/dbraw/zinc/41/10/92/446411092.db2.gz REHFIOKVVKNNGB-FHLIZLRMSA-N 1 3 346.475 1.050 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000418017738 446417601 /nfs/dbraw/zinc/41/76/01/446417601.db2.gz TVYSPNDWFFMMDI-RDJZCZTQSA-N 1 3 334.464 1.042 20 0 EDADHO COC1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767677 446425874 /nfs/dbraw/zinc/42/58/74/446425874.db2.gz VJSSLVSICAMSKD-QGZVFWFLSA-N 1 3 331.460 1.488 20 0 EDADHO Cc1ccc(S(=O)(=O)NCCN(C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420296073 446459691 /nfs/dbraw/zinc/45/96/91/446459691.db2.gz CZINSCMQMIKAMH-MRXNPFEDSA-N 1 3 339.505 1.595 20 0 EDADHO Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)no1 ZINC000420296074 446459697 /nfs/dbraw/zinc/45/96/97/446459697.db2.gz CZJHDUDZBSFOQU-BZSNNMDCSA-N 1 3 344.459 1.563 20 0 EDADHO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)no1 ZINC000420296074 446459700 /nfs/dbraw/zinc/45/97/00/446459700.db2.gz CZJHDUDZBSFOQU-BZSNNMDCSA-N 1 3 344.459 1.563 20 0 EDADHO CC[C@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CCOC ZINC000420309744 446474119 /nfs/dbraw/zinc/47/41/19/446474119.db2.gz FEYFFRHEMWDEJT-MSOLQXFVSA-N 1 3 335.492 1.780 20 0 EDADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311913 446474918 /nfs/dbraw/zinc/47/49/18/446474918.db2.gz HHLDVHRFLBGNLL-PKOBYXMFSA-N 1 3 347.503 1.782 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311913 446474926 /nfs/dbraw/zinc/47/49/26/446474926.db2.gz HHLDVHRFLBGNLL-PKOBYXMFSA-N 1 3 347.503 1.782 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311913 446474934 /nfs/dbraw/zinc/47/49/34/446474934.db2.gz HHLDVHRFLBGNLL-PKOBYXMFSA-N 1 3 347.503 1.782 20 0 EDADHO COc1ccc(NC(=O)CCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320329 446485572 /nfs/dbraw/zinc/48/55/72/446485572.db2.gz BIQQLLBNHILTQA-HNNXBMFYSA-N 1 3 347.459 1.711 20 0 EDADHO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420320329 446485575 /nfs/dbraw/zinc/48/55/75/446485575.db2.gz BIQQLLBNHILTQA-HNNXBMFYSA-N 1 3 347.459 1.711 20 0 EDADHO COc1ccc(NC(=O)CC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1 ZINC000420320329 446485581 /nfs/dbraw/zinc/48/55/81/446485581.db2.gz BIQQLLBNHILTQA-HNNXBMFYSA-N 1 3 347.459 1.711 20 0 EDADHO COC[C@@]1(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC[NH2+]C1 ZINC000423318277 446485990 /nfs/dbraw/zinc/48/59/90/446485990.db2.gz DKFMGSOAEDHLKX-HXUWFJFHSA-N 1 3 345.487 1.566 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC2CC[NH2+]CC2)C1 ZINC000418304918 446492973 /nfs/dbraw/zinc/49/29/73/446492973.db2.gz HEXPYAMERJBCNE-INIZCTEOSA-N 1 3 330.476 1.902 20 0 EDADHO COCCN1CCC([NH2+][C@H]2CNCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423336596 446493684 /nfs/dbraw/zinc/49/36/84/446493684.db2.gz QNHFNHBRDSXMDX-PMACEKPBSA-N 1 3 347.503 1.841 20 0 EDADHO O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@H](N2CC=CC2)C1 ZINC000418331490 446502853 /nfs/dbraw/zinc/50/28/53/446502853.db2.gz DOYDVBUPKKCIBN-KRWDZBQOSA-N 1 3 329.448 1.217 20 0 EDADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418353411 446510725 /nfs/dbraw/zinc/51/07/25/446510725.db2.gz NJMNSTMWOMVJES-SJORKVTESA-N 1 3 334.464 1.488 20 0 EDADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358919 446498238 /nfs/dbraw/zinc/49/82/38/446498238.db2.gz OGRBWXZUJLYAOP-CVYDXHPNSA-N 1 3 337.508 1.722 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000433369725 446565868 /nfs/dbraw/zinc/56/58/68/446565868.db2.gz ZFEXJNBVJYKJML-UHFFFAOYSA-N 1 3 333.476 1.667 20 0 EDADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000433369725 446565873 /nfs/dbraw/zinc/56/58/73/446565873.db2.gz ZFEXJNBVJYKJML-UHFFFAOYSA-N 1 3 333.476 1.667 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418368561 446516877 /nfs/dbraw/zinc/51/68/77/446516877.db2.gz MVNYEDJAWVOWGS-FUHWJXTLSA-N 1 3 330.476 1.902 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000418388120 446524643 /nfs/dbraw/zinc/52/46/43/446524643.db2.gz POLKZWWFTQVAKB-DLBZAZTESA-N 1 3 333.480 1.528 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419744 446526725 /nfs/dbraw/zinc/52/67/25/446526725.db2.gz JATDAHQIANVIAK-IAGOWNOFSA-N 1 3 333.480 1.802 20 0 EDADHO Cc1nc([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n[nH]1 ZINC000420354753 446533737 /nfs/dbraw/zinc/53/37/37/446533737.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 1 3 329.448 1.223 20 0 EDADHO Cc1n[nH]c([C@@H]2CCCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000420354753 446533741 /nfs/dbraw/zinc/53/37/41/446533741.db2.gz DFUXLVIBJMCZBX-IKGGRYGDSA-N 1 3 329.448 1.223 20 0 EDADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418415575 446535775 /nfs/dbraw/zinc/53/57/75/446535775.db2.gz NWEYKSCWYIEABU-MJGOQNOKSA-N 1 3 348.491 1.296 20 0 EDADHO CC1(C)CNCC[C@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360231 446539957 /nfs/dbraw/zinc/53/99/57/446539957.db2.gz KVGCWFYFJXNPBJ-MRXNPFEDSA-N 1 3 340.489 1.837 20 0 EDADHO CC1(C)C[NH2+]CC[C@H]1NCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360231 446539959 /nfs/dbraw/zinc/53/99/59/446539959.db2.gz KVGCWFYFJXNPBJ-MRXNPFEDSA-N 1 3 340.489 1.837 20 0 EDADHO CCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418464033 446553500 /nfs/dbraw/zinc/55/35/00/446553500.db2.gz ABAVIFZXZIKHKZ-LJQANCHMSA-N 1 3 348.491 1.264 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000418468892 446555038 /nfs/dbraw/zinc/55/50/38/446555038.db2.gz PVKXWMYIBJSXOS-OAHLLOKOSA-N 1 3 327.517 1.219 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418612420 446616194 /nfs/dbraw/zinc/61/61/94/446616194.db2.gz IWNCRRBWKWPWMT-MRXNPFEDSA-N 1 3 340.512 1.517 20 0 EDADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418558115 446593371 /nfs/dbraw/zinc/59/33/71/446593371.db2.gz SHDUFGGVMIMGTL-SJLPKXTDSA-N 1 3 328.460 1.916 20 0 EDADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000418558115 446593374 /nfs/dbraw/zinc/59/33/74/446593374.db2.gz SHDUFGGVMIMGTL-SJLPKXTDSA-N 1 3 328.460 1.916 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCCCN1CCO)c1ccccc1 ZINC000418667637 446641303 /nfs/dbraw/zinc/64/13/03/446641303.db2.gz HKJPYZSTDNQTGC-MSOLQXFVSA-N 1 3 348.491 1.613 20 0 EDADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCCCN1CCO)c1ccccc1 ZINC000418667640 446642063 /nfs/dbraw/zinc/64/20/63/446642063.db2.gz HKJPYZSTDNQTGC-ROUUACIJSA-N 1 3 348.491 1.613 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000411720329 446657132 /nfs/dbraw/zinc/65/71/32/446657132.db2.gz MRRPHDWBWRGHRY-ZIAGYGMSSA-N 1 3 333.423 1.725 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000418737144 446660967 /nfs/dbraw/zinc/66/09/67/446660967.db2.gz VHMXGBIMKWONTG-KBPBESRZSA-N 1 3 339.509 1.652 20 0 EDADHO Cc1nccn1CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000375244346 446666979 /nfs/dbraw/zinc/66/69/79/446666979.db2.gz FTLOULHBYOHODR-UHFFFAOYSA-N 1 3 333.524 1.931 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418645000 446630584 /nfs/dbraw/zinc/63/05/84/446630584.db2.gz VQKMGNVHNREPME-FUHWJXTLSA-N 1 3 330.476 1.999 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418645000 446630587 /nfs/dbraw/zinc/63/05/87/446630587.db2.gz VQKMGNVHNREPME-FUHWJXTLSA-N 1 3 330.476 1.999 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)COC1CC[NH2+]CC1 ZINC000423759066 446688392 /nfs/dbraw/zinc/68/83/92/446688392.db2.gz LIALULIBAALJOU-UHFFFAOYSA-N 1 3 325.497 1.726 20 0 EDADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418777915 446696130 /nfs/dbraw/zinc/69/61/30/446696130.db2.gz ZBSACARNLOACEG-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418777915 446696136 /nfs/dbraw/zinc/69/61/36/446696136.db2.gz ZBSACARNLOACEG-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000423775049 446697474 /nfs/dbraw/zinc/69/74/74/446697474.db2.gz ONBVNEIZGNPYEW-KBPBESRZSA-N 1 3 341.839 1.339 20 0 EDADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418794085 446705991 /nfs/dbraw/zinc/70/59/91/446705991.db2.gz QTTXRBORBPOGPP-KRWDZBQOSA-N 1 3 348.491 1.575 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000368216433 446714287 /nfs/dbraw/zinc/71/42/87/446714287.db2.gz SIMQEUPJOXZBLS-UHFFFAOYSA-N 1 3 342.491 1.759 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000418843763 446746318 /nfs/dbraw/zinc/74/63/18/446746318.db2.gz SLTKNQDYZZGJQH-LSDHHAIUSA-N 1 3 338.496 1.095 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)COC2CNC2)C[N@@H+]1Cc1ccccc1 ZINC000423902828 446753934 /nfs/dbraw/zinc/75/39/34/446753934.db2.gz MMGXVNBSINBXCK-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO C[C@@H]1C[C@@H](CCNC(=O)COC2CNC2)C[N@H+]1Cc1ccccc1 ZINC000423902828 446753942 /nfs/dbraw/zinc/75/39/42/446753942.db2.gz MMGXVNBSINBXCK-NVXWUHKLSA-N 1 3 331.460 1.392 20 0 EDADHO CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1 ZINC000418873704 446765546 /nfs/dbraw/zinc/76/55/46/446765546.db2.gz YJKBNYGEVFNJFT-OAHLLOKOSA-N 1 3 340.512 1.119 20 0 EDADHO C[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)N1CCCCCC1 ZINC000423997859 446815483 /nfs/dbraw/zinc/81/54/83/446815483.db2.gz IIZNEAWLIBOJGB-NXHRZFHOSA-N 1 3 337.508 1.996 20 0 EDADHO CCCCCNC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425047 446847543 /nfs/dbraw/zinc/84/75/43/446847543.db2.gz QSXADLKBLFBKFR-FUHWJXTLSA-N 1 3 338.540 1.782 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424381827 446869149 /nfs/dbraw/zinc/86/91/49/446869149.db2.gz ZQPUZUGTPOAPAI-CYZMBNFOSA-N 1 3 328.254 1.859 20 0 EDADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419020935 446871509 /nfs/dbraw/zinc/87/15/09/446871509.db2.gz GLNPZYLTBJHHHZ-BFYDXBDKSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419020935 446871514 /nfs/dbraw/zinc/87/15/14/446871514.db2.gz GLNPZYLTBJHHHZ-BFYDXBDKSA-N 1 3 346.475 1.039 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029289 446874680 /nfs/dbraw/zinc/87/46/80/446874680.db2.gz RLUFQZLSAOMTHE-GJZGRUSLSA-N 1 3 338.496 1.001 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424458723 446876778 /nfs/dbraw/zinc/87/67/78/446876778.db2.gz CPWBVRGSSAHXFI-HUUCEWRRSA-N 1 3 326.485 1.445 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4COC[C@H]4C3)CC2)CC1 ZINC000620132004 450437014 /nfs/dbraw/zinc/43/70/14/450437014.db2.gz FGBQURIGOYVKST-QZTJIDSGSA-N 1 3 349.519 1.678 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000371522472 446912123 /nfs/dbraw/zinc/91/21/23/446912123.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO COCCN(C)CCNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000371522472 446912129 /nfs/dbraw/zinc/91/21/29/446912129.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 1 3 340.512 1.661 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419100470 446924705 /nfs/dbraw/zinc/92/47/05/446924705.db2.gz BUXUKROWORKHMY-OIISXLGYSA-N 1 3 346.475 1.009 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368550186 446938809 /nfs/dbraw/zinc/93/88/09/446938809.db2.gz XREDNHCXSDVEMH-HZPDHXFCSA-N 1 3 334.464 1.980 20 0 EDADHO CN(C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368550186 446938813 /nfs/dbraw/zinc/93/88/13/446938813.db2.gz XREDNHCXSDVEMH-HZPDHXFCSA-N 1 3 334.464 1.980 20 0 EDADHO CN(C[C@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730540 447008380 /nfs/dbraw/zinc/00/83/80/447008380.db2.gz JRHVCLWYMZFQTN-MRXNPFEDSA-N 1 3 337.489 1.665 20 0 EDADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059597 447002817 /nfs/dbraw/zinc/00/28/17/447002817.db2.gz NEVUYIPMICXZEQ-AWEZNQCLSA-N 1 3 339.867 1.896 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444167814 447085176 /nfs/dbraw/zinc/08/51/76/447085176.db2.gz NUGCWUPVQNSKLL-IEBWSBKVSA-N 1 3 331.460 1.285 20 0 EDADHO CCN1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321558 447140011 /nfs/dbraw/zinc/14/00/11/447140011.db2.gz GGYHORACEGLYKQ-QGZVFWFLSA-N 1 3 330.476 1.479 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445981500 447213660 /nfs/dbraw/zinc/21/36/60/447213660.db2.gz JDHASHNSWVHGLA-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445862411 447199902 /nfs/dbraw/zinc/19/99/02/447199902.db2.gz PWJVLOPZDXVBBL-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@H]1CCCCN1C1CC1 ZINC000458707003 447457592 /nfs/dbraw/zinc/45/75/92/447457592.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC[C@H]1CCCCN1C1CC1 ZINC000458707003 447457595 /nfs/dbraw/zinc/45/75/95/447457595.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 1 3 338.496 1.149 20 0 EDADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000495094323 447476836 /nfs/dbraw/zinc/47/68/36/447476836.db2.gz SMFVHPSTFLGLEW-SFHVURJKSA-N 1 3 345.487 1.790 20 0 EDADHO CN(C)C1(CNC(=O)C[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000427292119 447575738 /nfs/dbraw/zinc/57/57/38/447575738.db2.gz NEWZAFBBXGFTKM-INIZCTEOSA-N 1 3 329.488 1.982 20 0 EDADHO CCN1CCN(CC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000457525758 447588995 /nfs/dbraw/zinc/58/89/95/447588995.db2.gz FIWBEJJSTFDWNF-UHFFFAOYSA-N 1 3 339.528 1.188 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000457531918 447589510 /nfs/dbraw/zinc/58/95/10/447589510.db2.gz LXKUIJHNQQGXCY-AEFFLSMTSA-N 1 3 349.523 1.473 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)Cc1cnn(C)c1 ZINC000457531918 447589516 /nfs/dbraw/zinc/58/95/16/447589516.db2.gz LXKUIJHNQQGXCY-AEFFLSMTSA-N 1 3 349.523 1.473 20 0 EDADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCN1CCCO)c1ccccc1 ZINC000416245973 447548802 /nfs/dbraw/zinc/54/88/02/447548802.db2.gz YYMXCAVBKWPPIO-ROUUACIJSA-N 1 3 333.476 1.642 20 0 EDADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179251 447558647 /nfs/dbraw/zinc/55/86/47/447558647.db2.gz PQMBRYPFYDVKOX-MSOLQXFVSA-N 1 3 337.508 1.964 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC000420159033 447644583 /nfs/dbraw/zinc/64/45/83/447644583.db2.gz CQWCLPXLKVELLU-OAHLLOKOSA-N 1 3 340.512 1.071 20 0 EDADHO O=C1O[C@]2(CN1CN1CC[C@@H]([NH+]3CCCC3)C1)CN1CCC2CC1 ZINC000495860173 447608963 /nfs/dbraw/zinc/60/89/63/447608963.db2.gz XGAIHJANMLMJQI-AEFFLSMTSA-N 1 3 334.464 1.031 20 0 EDADHO C[C@@H](c1ccccc1)N1CCN(C(=O)CNC(C)(C)C[NH+](C)C)CC1 ZINC000459539786 447700536 /nfs/dbraw/zinc/70/05/36/447700536.db2.gz PTVOMHSOLMXXIX-KRWDZBQOSA-N 1 3 346.519 1.822 20 0 EDADHO CN1CC[NH+](CC2(C)CCN(CCn3cc(Cl)cn3)CC2)CC1 ZINC000459404369 447655056 /nfs/dbraw/zinc/65/50/56/447655056.db2.gz QYSRNAFEGGFKPQ-UHFFFAOYSA-N 1 3 339.915 1.886 20 0 EDADHO CCOC(=O)c1ncn(C2CC[NH+](CC[C@H]3CCCN3C)CC2)c1N ZINC000459436586 447666274 /nfs/dbraw/zinc/66/62/74/447666274.db2.gz YLUSXMKKNAKUTM-CQSZACIVSA-N 1 3 349.479 1.763 20 0 EDADHO O[C@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)N(Cc2ccccc2)C1 ZINC000459452588 447670658 /nfs/dbraw/zinc/67/06/58/447670658.db2.gz MFZOBVSUVOYJJF-PMACEKPBSA-N 1 3 329.488 1.838 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000428145388 447677744 /nfs/dbraw/zinc/67/77/44/447677744.db2.gz KQULYGVHVIHJOK-UHFFFAOYSA-N 1 3 330.476 1.558 20 0 EDADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1CCCO)C[NH+]1CCCCC1 ZINC000457958589 447684841 /nfs/dbraw/zinc/68/48/41/447684841.db2.gz ZKNHOGJEHFTJFJ-DLBZAZTESA-N 1 3 340.512 1.254 20 0 EDADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[NH+]1CCC(C)CC1 ZINC000458055093 447710610 /nfs/dbraw/zinc/71/06/10/447710610.db2.gz VEEDZFYEODCAAU-IRXDYDNUSA-N 1 3 340.512 1.253 20 0 EDADHO c1ccc(CCN2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422714737 447725208 /nfs/dbraw/zinc/72/52/08/447725208.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 1 3 343.515 1.908 20 0 EDADHO C[C@@H](NCCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000422739118 447734153 /nfs/dbraw/zinc/73/41/53/447734153.db2.gz KNVOZKYQLKMQPO-YPMHNXCESA-N 1 3 340.265 1.767 20 0 EDADHO C[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCN(C)CC1 ZINC000422737857 447734537 /nfs/dbraw/zinc/73/45/37/447734537.db2.gz IQNLFCOQYLMOBB-KPFFTGBYSA-N 1 3 344.503 1.468 20 0 EDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750688 447737984 /nfs/dbraw/zinc/73/79/84/447737984.db2.gz AIQVSKGRNNRICE-BXUZGUMPSA-N 1 3 331.869 1.335 20 0 EDADHO O[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)Cn1ccnn1 ZINC000459695441 447742216 /nfs/dbraw/zinc/74/22/16/447742216.db2.gz KRCCFYNUYTZDGF-NCXUSEDFSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cn1ccnn1 ZINC000459695441 447742221 /nfs/dbraw/zinc/74/22/21/447742221.db2.gz KRCCFYNUYTZDGF-NCXUSEDFSA-N 1 3 341.459 1.139 20 0 EDADHO O[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cn1ccnn1 ZINC000459695441 447742225 /nfs/dbraw/zinc/74/22/25/447742225.db2.gz KRCCFYNUYTZDGF-NCXUSEDFSA-N 1 3 341.459 1.139 20 0 EDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782453 447749644 /nfs/dbraw/zinc/74/96/44/447749644.db2.gz MZLLFMSNJWWUDO-VDZJLULYSA-N 1 3 327.476 1.937 20 0 EDADHO CCOC(=O)[C@H]1NCC[C@@H]1NCC1CC[NH+](CCC(C)C)CC1 ZINC000422839159 447765976 /nfs/dbraw/zinc/76/59/76/447765976.db2.gz PQIHGAWIBOQDCN-IRXDYDNUSA-N 1 3 325.497 1.628 20 0 EDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCN(Cc2ccccc2)CC1 ZINC000422827730 447761947 /nfs/dbraw/zinc/76/19/47/447761947.db2.gz FGSPLQSBQBNKIE-VQTJNVASSA-N 1 3 330.520 1.911 20 0 EDADHO COc1cc(OC)cc(N2CC[C@H](NC3CCC([NH3+])CC3)C2=O)c1 ZINC000422921046 447773266 /nfs/dbraw/zinc/77/32/66/447773266.db2.gz ONRQJNNMGSHLPF-FVKWTLKZSA-N 1 3 333.432 1.669 20 0 EDADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(=O)N(C)C ZINC000422943196 447777764 /nfs/dbraw/zinc/77/77/64/447777764.db2.gz QOAXUELROGKYBX-HZPDHXFCSA-N 1 3 349.475 1.769 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000430712446 447784443 /nfs/dbraw/zinc/78/44/43/447784443.db2.gz ZSPFCCPGFVVAJL-QGZVFWFLSA-N 1 3 333.476 1.735 20 0 EDADHO CN1CCN(CCCNC(=O)C(C)(C)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000431022070 447789688 /nfs/dbraw/zinc/78/96/88/447789688.db2.gz MBDYLJFVWDXSCD-QGZVFWFLSA-N 1 3 332.492 1.466 20 0 EDADHO CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000423078109 447800065 /nfs/dbraw/zinc/80/00/65/447800065.db2.gz NVCJXPGXOKCNGN-DZGCQCFKSA-N 1 3 331.526 1.686 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000487684756 447836092 /nfs/dbraw/zinc/83/60/92/447836092.db2.gz CZAWODHPPWPHMF-IRXDYDNUSA-N 1 3 338.496 1.148 20 0 EDADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353915 447881978 /nfs/dbraw/zinc/88/19/78/447881978.db2.gz HETIRKRAIPYWFJ-WMZOPIPTSA-N 1 3 330.476 1.894 20 0 EDADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000569843155 447904191 /nfs/dbraw/zinc/90/41/91/447904191.db2.gz MOMPFBTXWZZAPM-SJLPKXTDSA-N 1 3 330.476 1.800 20 0 EDADHO CN1CCC(C[NH2+]C[C@H](O)CC(F)(F)F)(N2CCCCC2)CC1 ZINC000575981472 447942149 /nfs/dbraw/zinc/94/21/49/447942149.db2.gz NSJCJPHUSVGFMW-CQSZACIVSA-N 1 3 337.430 1.840 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@@H+]1C ZINC000524786081 447954100 /nfs/dbraw/zinc/95/41/00/447954100.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 1 3 339.528 1.138 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)NCCCCN2CCN(C)CC2)CC[N@H+]1C ZINC000524786081 447954104 /nfs/dbraw/zinc/95/41/04/447954104.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 1 3 339.528 1.138 20 0 EDADHO C[N@H+](CCC(=O)N[C@H](CO)CN1CCCCC1)C1CCCCC1 ZINC000576447019 448055264 /nfs/dbraw/zinc/05/52/64/448055264.db2.gz JBOSIKNQZBDFLY-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO C[N@@H+](CCC(=O)N[C@H](CO)CN1CCCCC1)C1CCCCC1 ZINC000576447019 448055269 /nfs/dbraw/zinc/05/52/69/448055269.db2.gz JBOSIKNQZBDFLY-INIZCTEOSA-N 1 3 325.497 1.604 20 0 EDADHO C[C@@H](C1CC1)n1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000526176502 448110703 /nfs/dbraw/zinc/11/07/03/448110703.db2.gz DCOIBQBGGYKJRU-AWEZNQCLSA-N 1 3 336.484 1.811 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430739 448156467 /nfs/dbraw/zinc/15/64/67/448156467.db2.gz UIQADMYDCVPAEU-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430739 448156473 /nfs/dbraw/zinc/15/64/73/448156473.db2.gz UIQADMYDCVPAEU-ULQDDVLXSA-N 1 3 340.512 1.347 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)CN1Cc1ccccc1 ZINC000571625459 448181239 /nfs/dbraw/zinc/18/12/39/448181239.db2.gz CSOJQAIPNJHKDI-KBAYOESNSA-N 1 3 346.475 1.327 20 0 EDADHO O=C(C[C@H]1CSCCN1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000514722173 448193284 /nfs/dbraw/zinc/19/32/84/448193284.db2.gz UMLIGGFEFHGRRD-NSHDSACASA-N 1 3 326.491 1.644 20 0 EDADHO CCCN1CCC([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532220181 448217313 /nfs/dbraw/zinc/21/73/13/448217313.db2.gz OINWTMGMPFPZNX-IBGZPJMESA-N 1 3 344.459 1.705 20 0 EDADHO C[NH+](C)C[C@H](O)CN[C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000492694847 448261558 /nfs/dbraw/zinc/26/15/58/448261558.db2.gz FERSMYQUZZPITR-QLFBSQMISA-N 1 3 329.485 1.725 20 0 EDADHO C[NH+]1CCC(CCNC(=O)NC[C@@H]2NCCc3ccccc32)CC1 ZINC000582535885 448265875 /nfs/dbraw/zinc/26/58/75/448265875.db2.gz ZVDQZVCMWJHLIJ-SFHVURJKSA-N 1 3 330.476 1.905 20 0 EDADHO CSC1(CNC(=O)NCCC2=CC[NH2+]CC2)CCN(C)CC1 ZINC000582595412 448284598 /nfs/dbraw/zinc/28/45/98/448284598.db2.gz AOPUWHRKAAGXOF-UHFFFAOYSA-N 1 3 326.510 1.423 20 0 EDADHO CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272372 448302944 /nfs/dbraw/zinc/30/29/44/448302944.db2.gz CALRFIHJUPSFHZ-HZPDHXFCSA-N 1 3 339.480 1.239 20 0 EDADHO CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000591272372 448302948 /nfs/dbraw/zinc/30/29/48/448302948.db2.gz CALRFIHJUPSFHZ-HZPDHXFCSA-N 1 3 339.480 1.239 20 0 EDADHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C1CCCC1 ZINC000515382879 448305212 /nfs/dbraw/zinc/30/52/12/448305212.db2.gz DKNUPIHKKYTWLU-ZWKOTPCHSA-N 1 3 330.476 1.927 20 0 EDADHO Cc1cc(NC(=O)CCNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000515637693 448336874 /nfs/dbraw/zinc/33/68/74/448336874.db2.gz CSBSMDPFSDTDOB-KRWDZBQOSA-N 1 3 342.443 2.423 20 0 EDADHO Cc1cc(NC(=O)CCNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000515637693 448336879 /nfs/dbraw/zinc/33/68/79/448336879.db2.gz CSBSMDPFSDTDOB-KRWDZBQOSA-N 1 3 342.443 2.423 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2nn(C)c3ccccc23)CC[NH2+]CC1 ZINC000591572790 448393731 /nfs/dbraw/zinc/39/37/31/448393731.db2.gz QQFVKVXFPPDWTA-CQSZACIVSA-N 1 3 344.459 1.984 20 0 EDADHO CCOC1CC(O)(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004850 448437246 /nfs/dbraw/zinc/43/72/46/448437246.db2.gz AVAYRFPNOHZSAL-QWORBQNLSA-N 1 3 332.444 1.762 20 0 EDADHO CC(=O)N[C@H](C)C1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000578013986 448440949 /nfs/dbraw/zinc/44/09/49/448440949.db2.gz UXCSTICWQXBLQW-CCKFTAQKSA-N 1 3 333.476 1.154 20 0 EDADHO CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC000578013986 448440956 /nfs/dbraw/zinc/44/09/56/448440956.db2.gz UXCSTICWQXBLQW-CCKFTAQKSA-N 1 3 333.476 1.154 20 0 EDADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CNCCO1)[NH+]1CCC(C)CC1 ZINC000578050633 448450674 /nfs/dbraw/zinc/45/06/74/448450674.db2.gz PUPIDQYVHZBZBL-HZPDHXFCSA-N 1 3 326.485 1.031 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC)COC3)CC2)CC1 ZINC000566466307 448482461 /nfs/dbraw/zinc/48/24/61/448482461.db2.gz OCERKQIQWKIERU-UHFFFAOYSA-N 1 3 337.508 1.726 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000516925784 448497945 /nfs/dbraw/zinc/49/79/45/448497945.db2.gz FBHWHONWIXDOGZ-JKSUJKDBSA-N 1 3 347.507 1.856 20 0 EDADHO C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCCN(C2CCC2)C1 ZINC000578354608 448527296 /nfs/dbraw/zinc/52/72/96/448527296.db2.gz PQEUQTSNJNIECL-PBQKYUHESA-N 1 3 348.491 1.750 20 0 EDADHO CN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc2)CC1 ZINC000578503175 448563813 /nfs/dbraw/zinc/56/38/13/448563813.db2.gz LFZAMYIBLLGMHD-CQSZACIVSA-N 1 3 326.391 1.355 20 0 EDADHO CN1CCC(n2ccc(NC(=O)NCC3([NH3+])CCCCCC3)n2)CC1 ZINC000567094700 448611306 /nfs/dbraw/zinc/61/13/06/448611306.db2.gz VBRMPFDCROSOMD-UHFFFAOYSA-N 1 3 348.495 2.323 20 0 EDADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COC1CCOCC1 ZINC000566909424 448583058 /nfs/dbraw/zinc/58/30/58/448583058.db2.gz FWVIPVYFIDPCSW-QGZVFWFLSA-N 1 3 326.481 1.540 20 0 EDADHO CC[C@H]1CN(C)CCN1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000584824048 448642811 /nfs/dbraw/zinc/64/28/11/448642811.db2.gz LAKGIBUXMMZSNV-KRWDZBQOSA-N 1 3 339.528 1.140 20 0 EDADHO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cn1 ZINC000584783084 448631139 /nfs/dbraw/zinc/63/11/39/448631139.db2.gz LKRIFNRFCAMFFZ-WDSOQIARSA-N 1 3 328.460 1.215 20 0 EDADHO Cn1cc(C[C@@H]2CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cn1 ZINC000584783084 448631144 /nfs/dbraw/zinc/63/11/44/448631144.db2.gz LKRIFNRFCAMFFZ-WDSOQIARSA-N 1 3 328.460 1.215 20 0 EDADHO Cn1cc(C[C@@H]2CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783084 448631150 /nfs/dbraw/zinc/63/11/50/448631150.db2.gz LKRIFNRFCAMFFZ-WDSOQIARSA-N 1 3 328.460 1.215 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]([C@H](C)O)C3)CC2)CC1 ZINC000518741535 448704489 /nfs/dbraw/zinc/70/44/89/448704489.db2.gz ARUYGYBDEBEZIL-RDJZCZTQSA-N 1 3 337.508 1.412 20 0 EDADHO CCN1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000568191263 448832115 /nfs/dbraw/zinc/83/21/15/448832115.db2.gz CKFGJJVYIMEQIX-MRXNPFEDSA-N 1 3 325.522 1.758 20 0 EDADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000574336901 448849051 /nfs/dbraw/zinc/84/90/51/448849051.db2.gz LTWHAKQKNPBHLE-OAHLLOKOSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccn(CCN(C)C)n2)C1 ZINC000574336901 448849055 /nfs/dbraw/zinc/84/90/55/448849055.db2.gz LTWHAKQKNPBHLE-OAHLLOKOSA-N 1 3 335.496 1.685 20 0 EDADHO CCC(CC)(CNC(=O)C(=O)NC1CNC1)[NH2+][C@@H](C)c1ccccc1 ZINC000521007993 448945796 /nfs/dbraw/zinc/94/57/96/448945796.db2.gz HALBYHPELMPRKA-AWEZNQCLSA-N 1 3 346.475 1.100 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCc1nccs1 ZINC000575104186 449034707 /nfs/dbraw/zinc/03/47/07/449034707.db2.gz ZKNPGUUDYGLRLW-UHFFFAOYSA-N 1 3 327.498 1.211 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999818 449010398 /nfs/dbraw/zinc/01/03/98/449010398.db2.gz NLUWSHZRKDQPSJ-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO CN1CCN(CCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574999818 449010403 /nfs/dbraw/zinc/01/04/03/449010403.db2.gz NLUWSHZRKDQPSJ-LJQANCHMSA-N 1 3 344.503 1.262 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958177 449080200 /nfs/dbraw/zinc/08/02/00/449080200.db2.gz VFNQGGQTQQICNR-KFWWJZLASA-N 1 3 333.480 1.569 20 0 EDADHO CN1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582230392 449041636 /nfs/dbraw/zinc/04/16/36/449041636.db2.gz MGZLCHDYRHTWLG-MSOLQXFVSA-N 1 3 345.491 1.108 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000602117254 449358198 /nfs/dbraw/zinc/35/81/98/449358198.db2.gz FSGZMGFJYFVCCU-GOSISDBHSA-N 1 3 348.535 1.489 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1c[nH]nc1-c1ccncc1 ZINC000617505396 449652742 /nfs/dbraw/zinc/65/27/42/449652742.db2.gz AZCFCUTZJQKRFU-AWEZNQCLSA-N 1 3 344.463 1.474 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1c[nH]nc1-c1ccncc1 ZINC000617505396 449652750 /nfs/dbraw/zinc/65/27/50/449652750.db2.gz AZCFCUTZJQKRFU-AWEZNQCLSA-N 1 3 344.463 1.474 20 0 EDADHO COCc1ccsc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506147 449654158 /nfs/dbraw/zinc/65/41/58/449654158.db2.gz BVVJUEOLNIMPRQ-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO COCc1ccsc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506147 449654164 /nfs/dbraw/zinc/65/41/64/449654164.db2.gz BVVJUEOLNIMPRQ-ZDUSSCGKSA-N 1 3 327.494 1.896 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1ccoc1 ZINC000617507362 449657353 /nfs/dbraw/zinc/65/73/53/449657353.db2.gz TWCAOGYWBQQYPF-AWEZNQCLSA-N 1 3 347.463 1.682 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cn(C)nc1-c1ccoc1 ZINC000617507362 449657359 /nfs/dbraw/zinc/65/73/59/449657359.db2.gz TWCAOGYWBQQYPF-AWEZNQCLSA-N 1 3 347.463 1.682 20 0 EDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CCN(CCO)CC1 ZINC000601323152 449832127 /nfs/dbraw/zinc/83/21/27/449832127.db2.gz SVZOMFIQKCINIP-HUUCEWRRSA-N 1 3 326.485 1.005 20 0 EDADHO CCN(CC[NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000625834543 450518076 /nfs/dbraw/zinc/51/80/76/450518076.db2.gz IQMFPGKTHFXDIA-UHFFFAOYSA-N 1 3 333.480 1.949 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419646 450519495 /nfs/dbraw/zinc/51/94/95/450519495.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO CN1CCN(CCCCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000623419646 450519497 /nfs/dbraw/zinc/51/94/97/450519497.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 1 3 339.528 1.045 20 0 EDADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122508 450715512 /nfs/dbraw/zinc/71/55/12/450715512.db2.gz TWWSFVLTLILJAV-KGLIPLIRSA-N 1 3 325.478 1.717 20 0 EDADHO C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2)CC(=O)N1Cc1ccccc1 ZINC000629577786 450745664 /nfs/dbraw/zinc/74/56/64/450745664.db2.gz IYRPXVBMBCXVKX-NJAFHUGGSA-N 1 3 331.460 1.222 20 0 EDADHO CC[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)N(C)C ZINC000629616111 450762586 /nfs/dbraw/zinc/76/25/86/450762586.db2.gz WXWNZVMVVIYEOD-GOSISDBHSA-N 1 3 347.507 1.923 20 0 EDADHO CC[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N(C)C ZINC000629616111 450762590 /nfs/dbraw/zinc/76/25/90/450762590.db2.gz WXWNZVMVVIYEOD-GOSISDBHSA-N 1 3 347.507 1.923 20 0 EDADHO C[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624263109 450769865 /nfs/dbraw/zinc/76/98/65/450769865.db2.gz BERLZNJOISCHDG-YSTOQKLRSA-N 1 3 344.503 1.745 20 0 EDADHO C[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3ccncc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624263109 450769868 /nfs/dbraw/zinc/76/98/68/450769868.db2.gz BERLZNJOISCHDG-YSTOQKLRSA-N 1 3 344.503 1.745 20 0 EDADHO C[C@@H]1CN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000631841977 450811997 /nfs/dbraw/zinc/81/19/97/450811997.db2.gz SPERDWMPJUNFBA-HUUCEWRRSA-N 1 3 344.459 1.669 20 0 EDADHO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000631841977 450811999 /nfs/dbraw/zinc/81/19/99/450811999.db2.gz SPERDWMPJUNFBA-HUUCEWRRSA-N 1 3 344.459 1.669 20 0 EDADHO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1CN ZINC000631841977 450812001 /nfs/dbraw/zinc/81/20/01/450812001.db2.gz SPERDWMPJUNFBA-HUUCEWRRSA-N 1 3 344.459 1.669 20 0 EDADHO O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000621668399 450824563 /nfs/dbraw/zinc/82/45/63/450824563.db2.gz DOBUXUUJAXJNCH-LPHOPBHVSA-N 1 3 345.487 1.649 20 0 EDADHO C[C@@H]1CCCN(S(=O)(=O)CCCN2CCCC2)[C@@H]1CCC[NH3+] ZINC000631951394 450910586 /nfs/dbraw/zinc/91/05/86/450910586.db2.gz GSYKPCVNIARNMX-HZPDHXFCSA-N 1 3 331.526 1.642 20 0 EDADHO O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(N2CCCOCC2)CC1 ZINC000627742216 450915099 /nfs/dbraw/zinc/91/50/99/450915099.db2.gz NDPWDAOEXDANLI-UHFFFAOYSA-N 1 3 349.519 1.964 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@H]3CC[N@H+](C)C3)ccc2oc1=O ZINC000635452170 450952619 /nfs/dbraw/zinc/95/26/19/450952619.db2.gz VGEMUZIQRDDYBN-CYBMUJFWSA-N 1 3 346.431 1.436 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc2oc1=O ZINC000635452170 450952626 /nfs/dbraw/zinc/95/26/26/450952626.db2.gz VGEMUZIQRDDYBN-CYBMUJFWSA-N 1 3 346.431 1.436 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850070 450957369 /nfs/dbraw/zinc/95/73/69/450957369.db2.gz AAHRAOZJMJEIAZ-INIZCTEOSA-N 1 3 344.459 1.130 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626890767 450987928 /nfs/dbraw/zinc/98/79/28/450987928.db2.gz SCIBVWIUCMVGEH-ZFWWWQNUSA-N 1 3 332.448 1.252 20 0 EDADHO CCN(CC[NH3+])C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000626936812 451018523 /nfs/dbraw/zinc/01/85/23/451018523.db2.gz ZPGQABJYFPAZDW-SFHVURJKSA-N 1 3 347.507 1.355 20 0 EDADHO [NH3+]CCCOCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000626939485 451020429 /nfs/dbraw/zinc/02/04/29/451020429.db2.gz GBPKCZXDWYJYEM-QGZVFWFLSA-N 1 3 334.464 1.316 20 0 EDADHO CN(C)C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)c2ccccc2O1 ZINC000632103534 451038940 /nfs/dbraw/zinc/03/89/40/451038940.db2.gz XPRKHNHUKIGMLF-AWEZNQCLSA-N 1 3 341.477 1.097 20 0 EDADHO C[C@H]1CC[C@H](NC(=O)NCC2CCN(c3ccncc3)CC2)C[NH2+]1 ZINC000627008734 451072877 /nfs/dbraw/zinc/07/28/77/451072877.db2.gz IOYAGOJWJLLSBA-HOCLYGCPSA-N 1 3 331.464 1.738 20 0 EDADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000627038527 451095315 /nfs/dbraw/zinc/09/53/15/451095315.db2.gz JXFHQUUYBZCPSS-RDJZCZTQSA-N 1 3 334.464 1.185 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000626978588 451047722 /nfs/dbraw/zinc/04/77/22/451047722.db2.gz HIHCGCTYLYVNKY-KRWDZBQOSA-N 1 3 334.464 1.268 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000632209333 451118187 /nfs/dbraw/zinc/11/81/87/451118187.db2.gz FIKYMLVRZJFLEG-WNRNVDISSA-N 1 3 336.524 1.201 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC[N@H+]1C ZINC000632209333 451118190 /nfs/dbraw/zinc/11/81/90/451118190.db2.gz FIKYMLVRZJFLEG-WNRNVDISSA-N 1 3 336.524 1.201 20 0 EDADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2cnn(CCN(C)C)c2)CC1 ZINC000633956333 451121978 /nfs/dbraw/zinc/12/19/78/451121978.db2.gz FPHABXYAGRXMIT-UHFFFAOYSA-N 1 3 347.507 1.925 20 0 EDADHO CN(C)CCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635641385 451128740 /nfs/dbraw/zinc/12/87/40/451128740.db2.gz SKMRNRYBZLAGOU-UYAOXDASSA-N 1 3 345.487 1.545 20 0 EDADHO CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635641385 451128745 /nfs/dbraw/zinc/12/87/45/451128745.db2.gz SKMRNRYBZLAGOU-UYAOXDASSA-N 1 3 345.487 1.545 20 0 EDADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638176812 451339185 /nfs/dbraw/zinc/33/91/85/451339185.db2.gz FYQMDOGIMGFAEO-WFASDCNBSA-N 1 3 345.447 1.031 20 0 EDADHO C[C@@H]1CCCN(C(=O)[C@H](N)CN(C)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000638392122 451482094 /nfs/dbraw/zinc/48/20/94/451482094.db2.gz YVOHJICOEKXWHJ-NXHRZFHOSA-N 1 3 332.492 1.422 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000634724391 451506502 /nfs/dbraw/zinc/50/65/02/451506502.db2.gz PBOYQATWQRYCLS-BHIYHBOVSA-N 1 3 328.460 1.602 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)Cn1cccn1 ZINC000634724391 451506506 /nfs/dbraw/zinc/50/65/06/451506506.db2.gz PBOYQATWQRYCLS-BHIYHBOVSA-N 1 3 328.460 1.602 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)Cn1cccn1 ZINC000634724391 451506507 /nfs/dbraw/zinc/50/65/07/451506507.db2.gz PBOYQATWQRYCLS-BHIYHBOVSA-N 1 3 328.460 1.602 20 0 EDADHO CO[C@H](C[NH2+]C1CCN(C2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000638459903 451525645 /nfs/dbraw/zinc/52/56/45/451525645.db2.gz NNJYACXRDGDIRT-MAUKXSAKSA-N 1 3 325.497 1.186 20 0 EDADHO COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000636144172 451545880 /nfs/dbraw/zinc/54/58/80/451545880.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 1 3 341.496 1.104 20 0 EDADHO COCCOCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000636144172 451545883 /nfs/dbraw/zinc/54/58/83/451545883.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 1 3 341.496 1.104 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)CCC2 ZINC000638543184 451569802 /nfs/dbraw/zinc/56/98/02/451569802.db2.gz DNNKCCVSBJHIQZ-QGZVFWFLSA-N 1 3 339.443 1.859 20 0 EDADHO CO[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCOCC1 ZINC000638587167 451592079 /nfs/dbraw/zinc/59/20/79/451592079.db2.gz BFAGJFUTHJJWIS-FUHWJXTLSA-N 1 3 325.497 1.186 20 0 EDADHO CC(C)[C@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)N(C)C)nn1 ZINC000640836468 451621845 /nfs/dbraw/zinc/62/18/45/451621845.db2.gz FPYGVRATZJQTSK-AEFFLSMTSA-N 1 3 344.463 1.353 20 0 EDADHO CO[C@H](C[NH2+]CC1(N2CCCCC2)CCN(C)CC1)[C@@H]1CCOC1 ZINC000638694009 451657554 /nfs/dbraw/zinc/65/75/54/451657554.db2.gz YPZUCWARSSPBSX-QZTJIDSGSA-N 1 3 339.524 1.578 20 0 EDADHO O=C(c1cccc2c1CCNC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785920 451691745 /nfs/dbraw/zinc/69/17/45/451691745.db2.gz HPIAEMPFTBMPHJ-QGZVFWFLSA-N 1 3 343.471 1.563 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000638727049 451667689 /nfs/dbraw/zinc/66/76/89/451667689.db2.gz DAOYVYVDBBXMTQ-SJORKVTESA-N 1 3 335.492 1.620 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cn2)CC1 ZINC000632960713 451670430 /nfs/dbraw/zinc/67/04/30/451670430.db2.gz JTMDHIRWIPNPPK-MRXNPFEDSA-N 1 3 346.479 1.946 20 0 EDADHO Cn1cc(CCC[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000638977580 451744745 /nfs/dbraw/zinc/74/47/45/451744745.db2.gz VEVLCCJIKAXQAX-IBGZPJMESA-N 1 3 328.460 1.709 20 0 EDADHO CC(C)(C)[C@@H](N)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229451 451790858 /nfs/dbraw/zinc/79/08/58/451790858.db2.gz ITIRXEQGHMMEEZ-HKUYNNGSSA-N 1 3 343.475 1.961 20 0 EDADHO CC(C)(C)[C@@H](N)c1cn(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000641229451 451790861 /nfs/dbraw/zinc/79/08/61/451790861.db2.gz ITIRXEQGHMMEEZ-HKUYNNGSSA-N 1 3 343.475 1.961 20 0 EDADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639584568 451958053 /nfs/dbraw/zinc/95/80/53/451958053.db2.gz ZJXIKOBZNAXRAU-INIZCTEOSA-N 1 3 332.496 1.115 20 0 EDADHO CN1CCN(C[C@H]2CN(CC[N@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296092 451971042 /nfs/dbraw/zinc/97/10/42/451971042.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 1 3 346.519 1.067 20 0 EDADHO CN1CCN(C[C@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCO2)CC1 ZINC000649296092 451971047 /nfs/dbraw/zinc/97/10/47/451971047.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 1 3 346.519 1.067 20 0 EDADHO CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CCN(Cc2ccccc2)CC1 ZINC000649322894 452001726 /nfs/dbraw/zinc/00/17/26/452001726.db2.gz UPMMJZCCFNEVPN-KRWDZBQOSA-N 1 3 331.460 1.345 20 0 EDADHO CC(C)[NH+]1CCC(N2CCN(CCCc3cncn3C)CC2)CC1 ZINC000653585260 452026487 /nfs/dbraw/zinc/02/64/87/452026487.db2.gz ICJDWCUOXRTKOH-UHFFFAOYSA-N 1 3 333.524 1.843 20 0 EDADHO OC1(C2CCN(C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000639719490 452060377 /nfs/dbraw/zinc/06/03/77/452060377.db2.gz HMSLSUAYKRNZOK-LJQANCHMSA-N 1 3 330.472 1.860 20 0 EDADHO OC1(C2CCN(C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000639719490 452060380 /nfs/dbraw/zinc/06/03/80/452060380.db2.gz HMSLSUAYKRNZOK-LJQANCHMSA-N 1 3 330.472 1.860 20 0 EDADHO COc1ccc([C@@H](C[NH3+])CN2CCN([C@@H]3CCCN(C)C3)CC2)cc1 ZINC000649414521 452076289 /nfs/dbraw/zinc/07/62/89/452076289.db2.gz FAEVRBNNUOGRFO-RBUKOAKNSA-N 1 3 346.519 1.449 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846854 452113406 /nfs/dbraw/zinc/11/34/06/452113406.db2.gz YPSUHGXUUBIEIS-ZWKOTPCHSA-N 1 3 332.492 1.470 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000637862194 452119249 /nfs/dbraw/zinc/11/92/49/452119249.db2.gz LTTGNFVAPHBOBS-CQSZACIVSA-N 1 3 345.447 1.128 20 0 EDADHO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)cc1 ZINC000643454599 452231471 /nfs/dbraw/zinc/23/14/71/452231471.db2.gz NRXWEHKXYDHGID-CVEARBPZSA-N 1 3 325.478 1.485 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000659428126 452271377 /nfs/dbraw/zinc/27/13/77/452271377.db2.gz XCOVZSMJIQEKKG-YOEHRIQHSA-N 1 3 334.464 1.739 20 0 EDADHO CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2C[C@@H](N)C2(C)C)cc1 ZINC000641805450 452282328 /nfs/dbraw/zinc/28/23/28/452282328.db2.gz OESHCYCSWKPDDP-HUUCEWRRSA-N 1 3 341.477 1.031 20 0 EDADHO COCCn1cc(CNCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657535972 452319420 /nfs/dbraw/zinc/31/94/20/452319420.db2.gz VLARWWJGJNMTCP-UHFFFAOYSA-N 1 3 336.480 1.510 20 0 EDADHO CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)N(C)C)cc1 ZINC000638050716 452323491 /nfs/dbraw/zinc/32/34/91/452323491.db2.gz RDLNYBWWWPVWCS-LNLFQRSKSA-N 1 3 333.476 1.735 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652137628 452331915 /nfs/dbraw/zinc/33/19/15/452331915.db2.gz RFLUJOFYAGTDFE-ZJIFWQFVSA-N 1 3 326.485 1.112 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000638070800 452375975 /nfs/dbraw/zinc/37/59/75/452375975.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000638070800 452375985 /nfs/dbraw/zinc/37/59/85/452375985.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 1 3 332.492 1.246 20 0 EDADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638069955 452376314 /nfs/dbraw/zinc/37/63/14/452376314.db2.gz NVZWNFFAWGXQCU-WMZOPIPTSA-N 1 3 332.492 1.436 20 0 EDADHO C[C@H](CNC(=O)[C@@H](N)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075393 452385836 /nfs/dbraw/zinc/38/58/36/452385836.db2.gz QVMMECHEGXJXBH-AEFFLSMTSA-N 1 3 332.492 1.294 20 0 EDADHO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000659541178 452400216 /nfs/dbraw/zinc/40/02/16/452400216.db2.gz ZZOVDQSLFUBGLH-PBHICJAKSA-N 1 3 334.464 1.050 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659574980 452429135 /nfs/dbraw/zinc/42/91/35/452429135.db2.gz SENXHOYQMDXQJE-INIZCTEOSA-N 1 3 334.464 1.869 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654377479 452430383 /nfs/dbraw/zinc/43/03/83/452430383.db2.gz MQPQXWZEBBNEQU-CALCHBBNSA-N 1 3 339.528 1.044 20 0 EDADHO CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCN1 ZINC000659582544 452438769 /nfs/dbraw/zinc/43/87/69/452438769.db2.gz SRPVFZCOHWJRPG-HZPDHXFCSA-N 1 3 334.439 1.665 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654404508 452456905 /nfs/dbraw/zinc/45/69/05/452456905.db2.gz OIEZHFOCSFQBML-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO COCCN1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654404508 452456909 /nfs/dbraw/zinc/45/69/09/452456909.db2.gz OIEZHFOCSFQBML-IAGOWNOFSA-N 1 3 338.496 1.413 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345452 452518557 /nfs/dbraw/zinc/51/85/57/452518557.db2.gz CCXHXKJNYIYFCW-RZFLPCETSA-N 1 3 337.508 1.994 20 0 EDADHO C[C@]1(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)NC(=O)[N-]C1=O ZINC000647789823 452523003 /nfs/dbraw/zinc/52/30/03/452523003.db2.gz MDEFCMUTWTXDHT-QRCPMIHRSA-N 1 3 342.443 1.219 20 0 EDADHO Cc1csc(=O)n1CCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346752 452523598 /nfs/dbraw/zinc/52/35/98/452523598.db2.gz GWVKHGIXYIHOCB-KKUMJFAQSA-N 1 3 325.478 1.437 20 0 EDADHO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)C1(N2CCCC2)CCOCC1 ZINC000655713332 452532164 /nfs/dbraw/zinc/53/21/64/452532164.db2.gz YQPKLMQRAIBLCU-GOSISDBHSA-N 1 3 337.508 1.474 20 0 EDADHO C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659726281 452620260 /nfs/dbraw/zinc/62/02/60/452620260.db2.gz CALFPECEYPMKFP-INIZCTEOSA-N 1 3 346.475 1.011 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734141 452630315 /nfs/dbraw/zinc/63/03/15/452630315.db2.gz MGSGAICCILLKCO-UHFFFAOYSA-N 1 3 340.512 1.201 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000652460614 452656136 /nfs/dbraw/zinc/65/61/36/452656136.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000652460614 452656142 /nfs/dbraw/zinc/65/61/42/452656142.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 1 3 340.512 1.022 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000655920971 452683568 /nfs/dbraw/zinc/68/35/68/452683568.db2.gz VCMKNYGEKIMBFB-ZDUSSCGKSA-N 1 3 344.381 1.274 20 0 EDADHO C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](c1ccccc1)N(C)C ZINC000655924832 452690355 /nfs/dbraw/zinc/69/03/55/452690355.db2.gz RBLBEMVTWZNYLH-DRZSPHRISA-N 1 3 332.370 1.867 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930958 452700315 /nfs/dbraw/zinc/70/03/15/452700315.db2.gz WBEQKSCCEMRHNU-CHWSQXEVSA-N 1 3 348.369 1.487 20 0 EDADHO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000658145606 452753384 /nfs/dbraw/zinc/75/33/84/452753384.db2.gz RQUCXZUVUFLOFN-YSIASYRMSA-N 1 3 348.487 1.655 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000664066800 452759753 /nfs/dbraw/zinc/75/97/53/452759753.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCCN1CCOC ZINC000664066800 452759762 /nfs/dbraw/zinc/75/97/62/452759762.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO NC1(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)Cc2ccccc2C1 ZINC000648177601 452889680 /nfs/dbraw/zinc/88/96/80/452889680.db2.gz IOIOQNJETMBNBS-ROUUACIJSA-N 1 3 343.471 1.228 20 0 EDADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000648177955 452890092 /nfs/dbraw/zinc/89/00/92/452890092.db2.gz FDTRFTLMJOKNOY-BFHYXJOUSA-N 1 3 327.350 1.324 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000645915857 452896635 /nfs/dbraw/zinc/89/66/35/452896635.db2.gz HHVUFHIEWMEVHF-BZUAXINKSA-N 1 3 342.553 1.938 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000645915857 452896641 /nfs/dbraw/zinc/89/66/41/452896641.db2.gz HHVUFHIEWMEVHF-BZUAXINKSA-N 1 3 342.553 1.938 20 0 EDADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248485 452973509 /nfs/dbraw/zinc/97/35/09/452973509.db2.gz DCDNYMDOHAJDMB-PBHICJAKSA-N 1 3 327.432 1.781 20 0 EDADHO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248485 452973517 /nfs/dbraw/zinc/97/35/17/452973517.db2.gz DCDNYMDOHAJDMB-PBHICJAKSA-N 1 3 327.432 1.781 20 0 EDADHO c1ccn2c(c1)nnc2[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260173 452991351 /nfs/dbraw/zinc/99/13/51/452991351.db2.gz GVYDSEPYTAQKLE-LSDHHAIUSA-N 1 3 327.432 1.430 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000662282377 453006811 /nfs/dbraw/zinc/00/68/11/453006811.db2.gz UGQHDFZEQFMHCB-ZBFHGGJFSA-N 1 3 336.484 1.189 20 0 EDADHO CC(C)(C)n1nnc(CCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000662282375 453006993 /nfs/dbraw/zinc/00/69/93/453006993.db2.gz UGQHDFZEQFMHCB-GOEBONIOSA-N 1 3 336.484 1.189 20 0 EDADHO COCCN1CCC[C@H]1CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000650863781 453064140 /nfs/dbraw/zinc/06/41/40/453064140.db2.gz CLXBBYYXASRCMB-INIZCTEOSA-N 1 3 326.485 1.225 20 0 EDADHO CN(C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644124733 453064408 /nfs/dbraw/zinc/06/44/08/453064408.db2.gz BKIYNKXQOOCMOO-AWEZNQCLSA-N 1 3 343.393 1.961 20 0 EDADHO CC[C@H](CN1CCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664410631 453072161 /nfs/dbraw/zinc/07/21/61/453072161.db2.gz YBJURFWXJJCNRH-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccsc1 ZINC000662383506 453092791 /nfs/dbraw/zinc/09/27/91/453092791.db2.gz AEIITUSHIGMFMU-AWEZNQCLSA-N 1 3 336.465 1.111 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000666723858 453099203 /nfs/dbraw/zinc/09/92/03/453099203.db2.gz UKQNAMISAJEKKE-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CNCc1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662399137 453108025 /nfs/dbraw/zinc/10/80/25/453108025.db2.gz NEJBTCZUROEMKF-AWEZNQCLSA-N 1 3 328.420 1.564 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428543 453135202 /nfs/dbraw/zinc/13/52/02/453135202.db2.gz FMLFGYPSIAYTEO-HUUCEWRRSA-N 1 3 333.480 1.871 20 0 EDADHO COCCCN(C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662474706 453187539 /nfs/dbraw/zinc/18/75/39/453187539.db2.gz BFHANAYPKVSFHU-KRWDZBQOSA-N 1 3 333.476 1.763 20 0 EDADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000646213546 453227289 /nfs/dbraw/zinc/22/72/89/453227289.db2.gz YYLDBPCQYCAAEY-AWEZNQCLSA-N 1 3 347.463 1.332 20 0 EDADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000666921466 453241834 /nfs/dbraw/zinc/24/18/34/453241834.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CN2CCN(CC)CC2)C1 ZINC000666921466 453241840 /nfs/dbraw/zinc/24/18/40/453241840.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 1 3 339.528 1.186 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920221 453242401 /nfs/dbraw/zinc/24/24/01/453242401.db2.gz PZKZVGJLSOVYRD-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000651079210 453249671 /nfs/dbraw/zinc/24/96/71/453249671.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 1 3 341.544 1.290 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000651079210 453249680 /nfs/dbraw/zinc/24/96/80/453249680.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 1 3 341.544 1.290 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000648781958 453267104 /nfs/dbraw/zinc/26/71/04/453267104.db2.gz HWZYFJJQMHYKTI-KRWDZBQOSA-N 1 3 349.523 1.931 20 0 EDADHO CCc1nccn1[C@@H](C)CC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000648781958 453267113 /nfs/dbraw/zinc/26/71/13/453267113.db2.gz HWZYFJJQMHYKTI-KRWDZBQOSA-N 1 3 349.523 1.931 20 0 EDADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666973080 453288296 /nfs/dbraw/zinc/28/82/96/453288296.db2.gz OODJBXMJBMGJOI-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666973080 453288299 /nfs/dbraw/zinc/28/82/99/453288299.db2.gz OODJBXMJBMGJOI-NVXWUHKLSA-N 1 3 338.496 1.223 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974913 453293097 /nfs/dbraw/zinc/29/30/97/453293097.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 1 3 332.452 1.728 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974913 453293103 /nfs/dbraw/zinc/29/31/03/453293103.db2.gz BYRPPYOWWNRZLZ-AWEZNQCLSA-N 1 3 332.452 1.728 20 0 EDADHO CN1CCC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[C@H]1c1cccs1 ZINC000653121797 453313315 /nfs/dbraw/zinc/31/33/15/453313315.db2.gz BUYKCPKTMBWJRE-YCPHGPKFSA-N 1 3 338.521 1.526 20 0 EDADHO CN(C)CCN(C(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCC1 ZINC000667011235 453330307 /nfs/dbraw/zinc/33/03/07/453330307.db2.gz IKMTVQDUEUEBJB-UHFFFAOYSA-N 1 3 332.448 1.417 20 0 EDADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662636933 453351760 /nfs/dbraw/zinc/35/17/60/453351760.db2.gz FMXIHNNYJFARGY-QUCCMNQESA-N 1 3 342.487 1.800 20 0 EDADHO NC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183698 453373944 /nfs/dbraw/zinc/37/39/44/453373944.db2.gz IMOPDKXAOICKKX-LEUOFYLZSA-N 1 3 349.450 1.613 20 0 EDADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)N1CCCCCC1 ZINC000653185121 453375394 /nfs/dbraw/zinc/37/53/94/453375394.db2.gz WSJLGAFYKPQJGG-XDNAFOTISA-N 1 3 337.508 1.996 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000667067764 453383570 /nfs/dbraw/zinc/38/35/70/453383570.db2.gz IGSLXXRLMQIXIN-ZFWWWQNUSA-N 1 3 332.448 1.635 20 0 EDADHO CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784830 453392878 /nfs/dbraw/zinc/39/28/78/453392878.db2.gz SXRMQJUMIKYZPL-KRWDZBQOSA-N 1 3 346.475 1.596 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662695346 453415695 /nfs/dbraw/zinc/41/56/95/453415695.db2.gz ZEWNZIOUOGHHNU-RDJZCZTQSA-N 1 3 333.480 1.658 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)cc2)CC1 ZINC000646475992 453423015 /nfs/dbraw/zinc/42/30/15/453423015.db2.gz MORYJCUOGDAMMT-LPHOPBHVSA-N 1 3 344.503 1.993 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664890579 453468463 /nfs/dbraw/zinc/46/84/63/453468463.db2.gz WWQBVZOOEABKCN-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000664890579 453468473 /nfs/dbraw/zinc/46/84/73/453468473.db2.gz WWQBVZOOEABKCN-IRXDYDNUSA-N 1 3 338.496 1.413 20 0 EDADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793976 453529436 /nfs/dbraw/zinc/52/94/36/453529436.db2.gz LWSKEARBVVVWDT-YQQAZPJKSA-N 1 3 346.479 1.149 20 0 EDADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000662814064 453546556 /nfs/dbraw/zinc/54/65/56/453546556.db2.gz NUCNTFBZYNLDNR-RBUKOAKNSA-N 1 3 343.471 1.691 20 0 EDADHO CC(C)(C)N1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851694 453571546 /nfs/dbraw/zinc/57/15/46/453571546.db2.gz BXQZKCDBFBJXIY-ZIAGYGMSSA-N 1 3 334.468 1.195 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000659020377 453583866 /nfs/dbraw/zinc/58/38/66/453583866.db2.gz ZYMXWUJPRNXPAP-KRWDZBQOSA-N 1 3 332.448 1.781 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000665240855 453621142 /nfs/dbraw/zinc/62/11/42/453621142.db2.gz ULJGFERAHQFCSK-LZQZEXGQSA-N 1 3 333.476 1.110 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659096354 453629134 /nfs/dbraw/zinc/62/91/34/453629134.db2.gz PBTWHVISXDVZFI-OAHLLOKOSA-N 1 3 346.475 1.724 20 0 EDADHO C[N@H+](CCCCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000661296674 453786993 /nfs/dbraw/zinc/78/69/93/453786993.db2.gz HDIGBCCWMMPPCL-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO C[N@@H+](CCCCNC(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC000661296674 453786996 /nfs/dbraw/zinc/78/69/96/453786996.db2.gz HDIGBCCWMMPPCL-KRWDZBQOSA-N 1 3 338.496 1.413 20 0 EDADHO CC[NH+](CC)CCNC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000663400990 453790207 /nfs/dbraw/zinc/79/02/07/453790207.db2.gz AJAOTCAATKXZEZ-UHFFFAOYSA-N 1 3 347.507 1.935 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2c[nH]nc2C(C)(C)C)CC1 ZINC000663503752 453811568 /nfs/dbraw/zinc/81/15/68/453811568.db2.gz LVCHKUDDAHTMDL-UHFFFAOYSA-N 1 3 335.496 1.787 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NCc2ccc(OC)cc2F)CC1 ZINC000663507160 453812381 /nfs/dbraw/zinc/81/23/81/453812381.db2.gz ZHGQQJFZUJCKCT-UHFFFAOYSA-N 1 3 337.439 1.915 20 0 EDADHO Cc1n[nH]c(C)c1CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514054 453813999 /nfs/dbraw/zinc/81/39/99/453813999.db2.gz VSWJFMUYBSLMPI-OAHLLOKOSA-N 1 3 343.479 1.539 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416962475 486789773 /nfs/dbraw/zinc/78/97/73/486789773.db2.gz AECLINCWCKUEKG-JKSUJKDBSA-N 1 3 334.464 1.696 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000684164018 486964181 /nfs/dbraw/zinc/96/41/81/486964181.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000684164018 486964186 /nfs/dbraw/zinc/96/41/86/486964186.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 1 3 325.497 1.868 20 0 EDADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000667797633 486969057 /nfs/dbraw/zinc/96/90/57/486969057.db2.gz SPIZUAAEILBMBQ-INIZCTEOSA-N 1 3 347.463 1.302 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)CC3CC3)CC2)CC1 ZINC000677270704 487026073 /nfs/dbraw/zinc/02/60/73/487026073.db2.gz BBWCXJIXUCNBOZ-MRXNPFEDSA-N 1 3 338.496 1.005 20 0 EDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 ZINC000681360394 487024779 /nfs/dbraw/zinc/02/47/79/487024779.db2.gz DERZVKJVRQPDEM-YESZJQIVSA-N 1 3 338.540 1.828 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530939 487050080 /nfs/dbraw/zinc/05/00/80/487050080.db2.gz MRDYQFGDZSYSNI-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530939 487050084 /nfs/dbraw/zinc/05/00/84/487050084.db2.gz MRDYQFGDZSYSNI-RBUKOAKNSA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530937 487050901 /nfs/dbraw/zinc/05/09/01/487050901.db2.gz MRDYQFGDZSYSNI-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673530937 487050902 /nfs/dbraw/zinc/05/09/02/487050902.db2.gz MRDYQFGDZSYSNI-OALUTQOASA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000673869090 487140186 /nfs/dbraw/zinc/14/01/86/487140186.db2.gz LFWIAPNPSYYFJL-GASCZTMLSA-N 1 3 336.484 1.829 20 0 EDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cnn(CCN(C)C)c1 ZINC000673869090 487140192 /nfs/dbraw/zinc/14/01/92/487140192.db2.gz LFWIAPNPSYYFJL-GASCZTMLSA-N 1 3 336.484 1.829 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000673869196 487140779 /nfs/dbraw/zinc/14/07/79/487140779.db2.gz NEUCRFVBPZPYPR-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC000673869196 487140785 /nfs/dbraw/zinc/14/07/85/487140785.db2.gz NEUCRFVBPZPYPR-UHFFFAOYSA-N 1 3 336.484 1.783 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000681764570 487161742 /nfs/dbraw/zinc/16/17/42/487161742.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 1 3 331.460 1.034 20 0 EDADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000681764570 487161746 /nfs/dbraw/zinc/16/17/46/487161746.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 1 3 331.460 1.034 20 0 EDADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CCC(OC)CC1 ZINC000675196645 487388420 /nfs/dbraw/zinc/38/84/20/487388420.db2.gz GXBJAHMOGBNAQQ-HNNXBMFYSA-N 1 3 326.485 1.271 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000502559153 487458397 /nfs/dbraw/zinc/45/83/97/487458397.db2.gz NDXLLJKDJSONPJ-SQNIBIBYSA-N 1 3 337.508 1.963 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000502559153 487458400 /nfs/dbraw/zinc/45/84/00/487458400.db2.gz NDXLLJKDJSONPJ-SQNIBIBYSA-N 1 3 337.508 1.963 20 0 EDADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942714 485476560 /nfs/dbraw/zinc/47/65/60/485476560.db2.gz MFEZOEOXCQWOSF-CABCVRRESA-N 1 3 340.512 1.070 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000668982984 485524263 /nfs/dbraw/zinc/52/42/63/485524263.db2.gz HLIRAPHBSUHEQS-GOSISDBHSA-N 1 3 328.460 1.799 20 0 EDADHO COC1CCN(CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085425032 491189363 /nfs/dbraw/zinc/18/93/63/491189363.db2.gz XTNJHFNRHKXXFC-AWEZNQCLSA-N 1 3 328.501 1.373 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000668518758 485836943 /nfs/dbraw/zinc/83/69/43/485836943.db2.gz SOBLMMFRXSNCMM-CRAIPNDOSA-N 1 3 346.475 1.409 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420087 486139108 /nfs/dbraw/zinc/13/91/08/486139108.db2.gz AAMSUHSHWWNIOK-QRVBRYPASA-N 1 3 342.487 1.759 20 0 EDADHO C[NH+](C)CCOc1ccc(CN2CCC[C@H]2CN2CCOCC2)cc1 ZINC000092217889 491202581 /nfs/dbraw/zinc/20/25/81/491202581.db2.gz NDHZSVLPYNGTPF-IBGZPJMESA-N 1 3 347.503 1.924 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000119781724 490996307 /nfs/dbraw/zinc/99/63/07/490996307.db2.gz TYELJIOXDJVHHB-UHFFFAOYSA-N 1 3 344.463 1.829 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000186724325 534091978 /nfs/dbraw/zinc/09/19/78/534091978.db2.gz UQVSLVHOPMDKDV-SJLPKXTDSA-N 1 3 330.476 1.313 20 0 EDADHO CN(C)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1ccc(F)cc1 ZINC000577962346 517907877 /nfs/dbraw/zinc/90/78/77/517907877.db2.gz RETBODRSBGMCLK-QGZVFWFLSA-N 1 3 347.438 1.617 20 0 EDADHO CCO[C@H]1C[C@](N)(C(=O)NCC[NH2+]C2CCCCCC2)C1(C)C ZINC000187181239 528158455 /nfs/dbraw/zinc/15/84/55/528158455.db2.gz WJGNEGIIESKCAE-YJBOKZPZSA-N 1 3 325.497 1.948 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000339607142 535066383 /nfs/dbraw/zinc/06/63/83/535066383.db2.gz IJKDCFMAGPSLOL-CVEARBPZSA-N 1 3 340.512 1.163 20 0 EDADHO CC1(C)[C@H]([NH2+]CCCCN2CCN(CCO)CC2)[C@@H]2CCCO[C@@H]21 ZINC000344128793 535069796 /nfs/dbraw/zinc/06/97/96/535069796.db2.gz IWFRDJFRSRETCZ-KSZLIROESA-N 1 3 339.524 1.170 20 0 EDADHO CC(C)N1CCN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000262510402 535203157 /nfs/dbraw/zinc/20/31/57/535203157.db2.gz LNNLZDSJVQIOKM-UHFFFAOYSA-N 1 3 330.476 1.699 20 0 EDADHO CC[NH2+]CC1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000347235082 535459989 /nfs/dbraw/zinc/45/99/89/535459989.db2.gz ZZTOLEPQNGFXBH-UHFFFAOYSA-N 1 3 333.476 1.975 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)C2CCOCC2)c1 ZINC000261602529 535607951 /nfs/dbraw/zinc/60/79/51/535607951.db2.gz ACKYODLPYBEEAD-GOSISDBHSA-N 1 3 333.476 1.899 20 0 EDADHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)CC(C)C)CCCC2)CC1 ZINC000353582407 536753978 /nfs/dbraw/zinc/75/39/78/536753978.db2.gz QHSLCMPTFUZTEW-INIZCTEOSA-N 1 3 325.497 1.900 20 0 EDADHO CCC[C@@H]1[C@H](C)CCCN1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380094 579478317 /nfs/dbraw/zinc/47/83/17/579478317.db2.gz FBWTXCFYPUWRBS-HUUCEWRRSA-N 1 3 336.480 1.861 20 0 EDADHO C[C@H](CNC(=O)NC[C@H](C)CN1CCN(C)CC1)[NH+]1CCCCC1 ZINC000745696613 579558286 /nfs/dbraw/zinc/55/82/86/579558286.db2.gz HGNSGMNEGAJWOY-DLBZAZTESA-N 1 3 339.528 1.044 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1nc(C)cc1C ZINC000750734677 579778865 /nfs/dbraw/zinc/77/88/65/579778865.db2.gz KRLIFQOXEPIMSE-SFHVURJKSA-N 1 3 349.523 1.765 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCn1nc(C)cc1C ZINC000750734677 579778866 /nfs/dbraw/zinc/77/88/66/579778866.db2.gz KRLIFQOXEPIMSE-SFHVURJKSA-N 1 3 349.523 1.765 20 0 EDADHO CN(C)C1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000768426595 580212514 /nfs/dbraw/zinc/21/25/14/580212514.db2.gz RGHHUBNABGTKOA-GOSISDBHSA-N 1 3 345.487 1.744 20 0 EDADHO CN(C)C1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000768426595 580212515 /nfs/dbraw/zinc/21/25/15/580212515.db2.gz RGHHUBNABGTKOA-GOSISDBHSA-N 1 3 345.487 1.744 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067928 580510912 /nfs/dbraw/zinc/51/09/12/580510912.db2.gz CJWGJBRAFOAYGZ-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067928 580510913 /nfs/dbraw/zinc/51/09/13/580510913.db2.gz CJWGJBRAFOAYGZ-QGZVFWFLSA-N 1 3 330.476 1.846 20 0 EDADHO C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CC[NH+](C)CC1 ZINC000782184560 580568772 /nfs/dbraw/zinc/56/87/72/580568772.db2.gz TYCCTMQCKMXCLK-ZDUSSCGKSA-N 1 3 325.478 1.669 20 0 EDADHO COc1ccc([C@@H]2C[C@H]2NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000793384888 580843161 /nfs/dbraw/zinc/84/31/61/580843161.db2.gz PBQIBVYUWZTNBV-ZWKOTPCHSA-N 1 3 348.491 1.686 20 0 EDADHO CN1CCN(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726977 581035437 /nfs/dbraw/zinc/03/54/37/581035437.db2.gz UEXRPERYAWXXAI-KFWWJZLASA-N 1 3 329.579 1.982 20 0 EDADHO CN1C[C@H]2[C@@H](CCN2C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000893191990 590703663 /nfs/dbraw/zinc/70/36/63/590703663.db2.gz ROEGGJZMSWUXQH-ROUUACIJSA-N 1 3 342.487 1.431 20 0 EDADHO CN1C[C@H]2CCN(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)[C@H]2C1 ZINC000893191988 590703926 /nfs/dbraw/zinc/70/39/26/590703926.db2.gz ROEGGJZMSWUXQH-MSOLQXFVSA-N 1 3 342.487 1.431 20 0 EDADHO C[NH2+]CCCNC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000891962959 590711169 /nfs/dbraw/zinc/71/11/69/590711169.db2.gz VFXSJMHMHWZNAQ-PKOBYXMFSA-N 1 3 330.476 1.759 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980436 590721866 /nfs/dbraw/zinc/72/18/66/590721866.db2.gz VIBYHTFXQDISSW-MSOLQXFVSA-N 1 3 330.476 1.868 20 0 EDADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892188246 590854305 /nfs/dbraw/zinc/85/43/05/590854305.db2.gz KMYYKVLZOJUNNO-ADKAHSJRSA-N 1 3 330.476 1.873 20 0 EDADHO CN1CCC(n2cc(NC(=O)N[C@H]3CC34CC[NH2+]CC4)cn2)CC1 ZINC000892266801 590899640 /nfs/dbraw/zinc/89/96/40/590899640.db2.gz GKRALJOTTTUOIG-HNNXBMFYSA-N 1 3 332.452 1.413 20 0 EDADHO CN(CCCN1CCN(C)CC1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384403 591004344 /nfs/dbraw/zinc/00/43/44/591004344.db2.gz AMOLOIKMRRTQOH-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3CN2)C1 ZINC000892478190 591041203 /nfs/dbraw/zinc/04/12/03/591041203.db2.gz JOJHTIZZRCUIHO-SJORKVTESA-N 1 3 330.476 1.778 20 0 EDADHO CC[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCc2ccccc2C1 ZINC000891346520 591052673 /nfs/dbraw/zinc/05/26/73/591052673.db2.gz CGDSFZSFKSJPPP-BZSNNMDCSA-N 1 3 328.460 1.579 20 0 EDADHO Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000892529969 591060725 /nfs/dbraw/zinc/06/07/25/591060725.db2.gz GSXMXFUMJLPPDU-FHWLQOOXSA-N 1 3 342.487 1.963 20 0 EDADHO C[NH+](C)CCOc1ccccc1CNC(=O)NCc1cc(N)ccn1 ZINC000891455519 591077499 /nfs/dbraw/zinc/07/74/99/591077499.db2.gz CISRKJASARHLLJ-UHFFFAOYSA-N 1 3 343.431 1.604 20 0 EDADHO CN(C)[C@]1(CNC(=O)N(C)C2(C[NH3+])CCCCC2)CCSC1 ZINC000891638675 591162153 /nfs/dbraw/zinc/16/21/53/591162153.db2.gz NGFQVHCBQYZSFS-INIZCTEOSA-N 1 3 328.526 1.727 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642853 591164197 /nfs/dbraw/zinc/16/41/97/591164197.db2.gz AALSZADIGDBCBT-LEUOFYLZSA-N 1 3 330.476 1.934 20 0 EDADHO C[C@]1(NC(=O)CC2(N3CCOCC3)CCCC2)C[NH+]2CCC1CC2 ZINC000892780366 591173309 /nfs/dbraw/zinc/17/33/09/591173309.db2.gz GXGQBOMAYBFMFJ-SFHVURJKSA-N 1 3 335.492 1.622 20 0 EDADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672710 591178266 /nfs/dbraw/zinc/17/82/66/591178266.db2.gz CGACFQPVPZZBGZ-HOTGVXAUSA-N 1 3 338.496 1.319 20 0 EDADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000892789569 591179302 /nfs/dbraw/zinc/17/93/02/591179302.db2.gz QEVKYTLTVIVEPI-SFHVURJKSA-N 1 3 330.476 1.732 20 0 EDADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc3onc(C)c3c2)CC1 ZINC000894236531 591240354 /nfs/dbraw/zinc/24/03/54/591240354.db2.gz ARGXXICLFRORDZ-AWEZNQCLSA-N 1 3 331.464 1.894 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000893010882 591254846 /nfs/dbraw/zinc/25/48/46/591254846.db2.gz JOQIPRQORKAPBU-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000893010882 591254849 /nfs/dbraw/zinc/25/48/49/591254849.db2.gz JOQIPRQORKAPBU-RDJZCZTQSA-N 1 3 338.496 1.271 20 0 EDADHO CCO[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)CN(C)C ZINC000896684038 591574391 /nfs/dbraw/zinc/57/43/91/591574391.db2.gz XZBLCDRYPLUSKA-INIZCTEOSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCC[C@](O)(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000900198209 591938502 /nfs/dbraw/zinc/93/85/02/591938502.db2.gz ULFLXQVSMRRZRC-WMZOPIPTSA-N 1 3 325.497 1.460 20 0 EDADHO N=C(NOCCc1noc2ccccc12)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806164 592062858 /nfs/dbraw/zinc/06/28/58/592062858.db2.gz MVGFYXLXTSHFIZ-BLLLJJGKSA-N 1 3 330.388 1.732 20 0 EDADHO N=C(NOCCc1noc2ccccc12)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902806164 592062861 /nfs/dbraw/zinc/06/28/61/592062861.db2.gz MVGFYXLXTSHFIZ-BLLLJJGKSA-N 1 3 330.388 1.732 20 0 EDADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000900720945 592104153 /nfs/dbraw/zinc/10/41/53/592104153.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000900720945 592104154 /nfs/dbraw/zinc/10/41/54/592104154.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 1 3 345.487 1.614 20 0 EDADHO CC[C@H](C[NH+]1CCCC1)NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000900730240 592111040 /nfs/dbraw/zinc/11/10/40/592111040.db2.gz DAMSJKBUUTWSKV-GOSISDBHSA-N 1 3 338.540 1.783 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)ccn1 ZINC000903088512 592117826 /nfs/dbraw/zinc/11/78/26/592117826.db2.gz ZMDYVDJEMFVGDD-OALUTQOASA-N 1 3 346.475 1.131 20 0 EDADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117113 592123579 /nfs/dbraw/zinc/12/35/79/592123579.db2.gz UNQRDVBYOVCOLD-RXABAKJHSA-N 1 3 332.492 1.867 20 0 EDADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](N[C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117113 592123581 /nfs/dbraw/zinc/12/35/81/592123581.db2.gz UNQRDVBYOVCOLD-RXABAKJHSA-N 1 3 332.492 1.867 20 0 EDADHO OC1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CCN(Cc2ccccc2)CC1 ZINC000903189295 592136149 /nfs/dbraw/zinc/13/61/49/592136149.db2.gz AGWRYHCLMICXDF-UYAOXDASSA-N 1 3 346.471 1.551 20 0 EDADHO CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903426024 592167590 /nfs/dbraw/zinc/16/75/90/592167590.db2.gz AUCHETPLQOJPMT-KGLIPLIRSA-N 1 3 333.432 1.846 20 0 EDADHO COC[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C(C)C ZINC000903464827 592171853 /nfs/dbraw/zinc/17/18/53/592171853.db2.gz YCMHRWOBRAVRTE-IRXDYDNUSA-N 1 3 349.523 1.917 20 0 EDADHO COC[C@H](C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1)C(C)C ZINC000903464827 592171854 /nfs/dbraw/zinc/17/18/54/592171854.db2.gz YCMHRWOBRAVRTE-IRXDYDNUSA-N 1 3 349.523 1.917 20 0 EDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCCN1C(=O)c2ccccc2C1=O ZINC000903482440 592177116 /nfs/dbraw/zinc/17/71/16/592177116.db2.gz HWQXJFIULDXHIF-HUUCEWRRSA-N 1 3 331.416 1.015 20 0 EDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482440 592177118 /nfs/dbraw/zinc/17/71/18/592177118.db2.gz HWQXJFIULDXHIF-HUUCEWRRSA-N 1 3 331.416 1.015 20 0 EDADHO COc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505629 592181758 /nfs/dbraw/zinc/18/17/58/592181758.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 1 3 345.487 1.975 20 0 EDADHO COc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505629 592181762 /nfs/dbraw/zinc/18/17/62/592181762.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 1 3 345.487 1.975 20 0 EDADHO COc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505629 592181765 /nfs/dbraw/zinc/18/17/65/592181765.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 1 3 345.487 1.975 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493670 592186153 /nfs/dbraw/zinc/18/61/53/592186153.db2.gz ZKMLCFZACYOUBZ-MKSNKDDYSA-N 1 3 345.443 1.028 20 0 EDADHO C[C@@H]1CN(CC(=O)NCc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496342 592187872 /nfs/dbraw/zinc/18/78/72/592187872.db2.gz KYYVVQIWZPPZNH-TZMCWYRMSA-N 1 3 341.402 1.821 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103929 592245716 /nfs/dbraw/zinc/24/57/16/592245716.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 1 3 336.524 1.345 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000901103929 592245718 /nfs/dbraw/zinc/24/57/18/592245718.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 1 3 336.524 1.345 20 0 EDADHO CN1CCC(n2ccc(NC(=O)N[C@]34CCC[C@H]3C[NH2+]C4)n2)CC1 ZINC000904457447 592266134 /nfs/dbraw/zinc/26/61/34/592266134.db2.gz PIOWHKAJPCOIQI-GUYCJALGSA-N 1 3 332.452 1.413 20 0 EDADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740599 592302914 /nfs/dbraw/zinc/30/29/14/592302914.db2.gz XSQRRRBVWLEQBQ-DAYGRLMNSA-N 1 3 331.464 1.172 20 0 EDADHO NCc1ccccc1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000904658848 592307419 /nfs/dbraw/zinc/30/74/19/592307419.db2.gz JVWNTNPJOIPGAE-UHFFFAOYSA-N 1 3 332.448 1.912 20 0 EDADHO O=C(N1CCN(c2ccnc3ccccc32)CC1)C12CC[NH+](CC1)C2 ZINC000908114776 592328042 /nfs/dbraw/zinc/32/80/42/592328042.db2.gz KDIYJZHBJVBTQT-UHFFFAOYSA-N 1 3 336.439 1.979 20 0 EDADHO COC(=O)CC1([NH2+]C[C@@H](CN)Cc2cnn(C)c2C)CCCCC1 ZINC000903899968 592370318 /nfs/dbraw/zinc/37/03/18/592370318.db2.gz XENMVNKGQKHUBM-OAHLLOKOSA-N 1 3 336.480 1.702 20 0 EDADHO COC(=O)CC1(NC[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903899968 592370325 /nfs/dbraw/zinc/37/03/25/592370325.db2.gz XENMVNKGQKHUBM-OAHLLOKOSA-N 1 3 336.480 1.702 20 0 EDADHO COc1cc(CCNCc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1C ZINC000903924245 592380058 /nfs/dbraw/zinc/38/00/58/592380058.db2.gz AHOIAGHLPAXOGQ-MRXNPFEDSA-N 1 3 329.448 1.852 20 0 EDADHO CN(C)[C@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926334 592381298 /nfs/dbraw/zinc/38/12/98/592381298.db2.gz KVILZDBRNPTAHB-SJLPKXTDSA-N 1 3 328.464 1.595 20 0 EDADHO [NH3+]C1CCN(Cc2cn([C@@H]3CCN(Cc4ccccc4)C3)nn2)CC1 ZINC000905057877 592394515 /nfs/dbraw/zinc/39/45/15/592394515.db2.gz ZSDHRHVHBXVLGT-LJQANCHMSA-N 1 3 340.475 1.648 20 0 EDADHO CN(C)CCOc1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974614 592398898 /nfs/dbraw/zinc/39/88/98/592398898.db2.gz RXHGTXHEDNKKIY-SFHVURJKSA-N 1 3 347.503 1.875 20 0 EDADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073456 592403420 /nfs/dbraw/zinc/40/34/20/592403420.db2.gz WRUGZTZWCBLINL-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073456 592403422 /nfs/dbraw/zinc/40/34/22/592403422.db2.gz WRUGZTZWCBLINL-MOPGFXCFSA-N 1 3 348.487 1.391 20 0 EDADHO CSC1(CNC(=O)[C@H]2CC[C@@H]3CCCCN23)CC[NH+](C)CC1 ZINC000908286682 592425842 /nfs/dbraw/zinc/42/58/42/592425842.db2.gz YHSQDWUMEOOMHD-LSDHHAIUSA-N 1 3 325.522 1.947 20 0 EDADHO C[C@@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000908359214 592463936 /nfs/dbraw/zinc/46/39/36/592463936.db2.gz SFMVTFOQVHLYMC-HNNXBMFYSA-N 1 3 335.492 1.430 20 0 EDADHO C[C@@H]1CN(C(=O)C2CN(C3CCOCC3)C2)CC[N@H+](C2CCC2)C1 ZINC000908359214 592463939 /nfs/dbraw/zinc/46/39/39/592463939.db2.gz SFMVTFOQVHLYMC-HNNXBMFYSA-N 1 3 335.492 1.430 20 0 EDADHO CN1CC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)[C@@H]1c1ccccc1 ZINC000907152022 592538552 /nfs/dbraw/zinc/53/85/52/592538552.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 1 3 330.476 1.041 20 0 EDADHO CN1CC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)[C@@H]1c1ccccc1 ZINC000907152022 592538554 /nfs/dbraw/zinc/53/85/54/592538554.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 1 3 330.476 1.041 20 0 EDADHO CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000908605898 592551386 /nfs/dbraw/zinc/55/13/86/592551386.db2.gz BNDMRYGJRGKPJC-GOSISDBHSA-N 1 3 343.487 1.550 20 0 EDADHO CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569916 592714535 /nfs/dbraw/zinc/71/45/35/592714535.db2.gz GKTRXXWADVTTSH-KRWDZBQOSA-N 1 3 328.460 1.458 20 0 EDADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(N2CCCOCC2)CC1 ZINC000910366813 592845303 /nfs/dbraw/zinc/84/53/03/592845303.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 1 3 335.492 1.717 20 0 EDADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCC(N2CCCOCC2)CC1 ZINC000910366813 592845306 /nfs/dbraw/zinc/84/53/06/592845306.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 1 3 335.492 1.717 20 0 EDADHO CC(C)[N@H+](CCO)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000910873040 592899062 /nfs/dbraw/zinc/89/90/62/592899062.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)[N@@H+](CCO)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000910873040 592899063 /nfs/dbraw/zinc/89/90/63/592899063.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 1 3 325.497 1.412 20 0 EDADHO CC(C)N1CCN(CCCC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000911191095 592946253 /nfs/dbraw/zinc/94/62/53/592946253.db2.gz YQTAVCOETIRMTN-UHFFFAOYSA-N 1 3 338.540 1.782 20 0 EDADHO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1NCC[C@H]2CCCC[C@@H]21 ZINC000911734487 592992289 /nfs/dbraw/zinc/99/22/89/592992289.db2.gz CJOWRYIQKPWRTD-UWWQBHOKSA-N 1 3 343.475 1.598 20 0 EDADHO CN(C)CCOc1ccc(CCC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911801912 593013259 /nfs/dbraw/zinc/01/32/59/593013259.db2.gz GWTFRFVOOPZWGV-IBGZPJMESA-N 1 3 333.476 1.803 20 0 EDADHO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000911866651 593024450 /nfs/dbraw/zinc/02/44/50/593024450.db2.gz AFOXHJYMROHTOD-VXGBXAGGSA-N 1 3 329.366 1.574 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000911892343 593032176 /nfs/dbraw/zinc/03/21/76/593032176.db2.gz KBMASEZRIVDDJA-OTWHNJEPSA-N 1 3 345.487 1.829 20 0 EDADHO CC[C@@H](C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000911892343 593032178 /nfs/dbraw/zinc/03/21/78/593032178.db2.gz KBMASEZRIVDDJA-OTWHNJEPSA-N 1 3 345.487 1.829 20 0 EDADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913447 593036244 /nfs/dbraw/zinc/03/62/44/593036244.db2.gz CLLIBIXZGBSAGY-UXHICEINSA-N 1 3 345.487 1.614 20 0 EDADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC000911913447 593036246 /nfs/dbraw/zinc/03/62/46/593036246.db2.gz CLLIBIXZGBSAGY-UXHICEINSA-N 1 3 345.487 1.614 20 0 EDADHO CN1CCC(N(CCO)C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000911941874 593036713 /nfs/dbraw/zinc/03/67/13/593036713.db2.gz WNYBAFYCPUNIJF-UHFFFAOYSA-N 1 3 325.497 1.556 20 0 EDADHO CN1CCC(N(CCO)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000911941874 593036715 /nfs/dbraw/zinc/03/67/15/593036715.db2.gz WNYBAFYCPUNIJF-UHFFFAOYSA-N 1 3 325.497 1.556 20 0 EDADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806138154 593194704 /nfs/dbraw/zinc/19/47/04/593194704.db2.gz RVIWMOGUSOVHLO-JSGCOSHPSA-N 1 3 336.867 1.899 20 0 EDADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)CC[NH2+]CC2 ZINC000818340226 593693759 /nfs/dbraw/zinc/69/37/59/593693759.db2.gz JZXDBMDFXQPHAN-GFCCVEGCSA-N 1 3 343.431 1.671 20 0 EDADHO CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820075519 593788804 /nfs/dbraw/zinc/78/88/04/593788804.db2.gz YVJQYMJQIPMNMQ-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820075519 593788805 /nfs/dbraw/zinc/78/88/05/593788805.db2.gz YVJQYMJQIPMNMQ-JKSUJKDBSA-N 1 3 328.501 1.469 20 0 EDADHO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(CN(C)C)c1 ZINC000820809605 593895149 /nfs/dbraw/zinc/89/51/49/593895149.db2.gz DSWZKQKSKUZFGL-INIZCTEOSA-N 1 3 346.519 1.951 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662668 /nfs/dbraw/zinc/66/26/68/594662668.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662669 /nfs/dbraw/zinc/66/26/69/594662669.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 1 3 342.487 1.846 20 0 EDADHO [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000841323909 594884844 /nfs/dbraw/zinc/88/48/44/594884844.db2.gz DKDFEDQEIUSCGG-ZBFHGGJFSA-N 1 3 334.420 1.009 20 0 EDADHO [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2NCCc3ccccc32)cc1 ZINC000841931325 594984389 /nfs/dbraw/zinc/98/43/89/594984389.db2.gz RZSNAXGDEBHWMS-IBGZPJMESA-N 1 3 338.455 1.874 20 0 EDADHO COc1cc(-c2noc(CC(C)(C)[NH3+])n2)ccc1OCCN(C)C ZINC000843201460 595032041 /nfs/dbraw/zinc/03/20/41/595032041.db2.gz VYKFOVXCYKYGCR-UHFFFAOYSA-N 1 3 334.420 1.965 20 0 EDADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000848024182 595306037 /nfs/dbraw/zinc/30/60/37/595306037.db2.gz FPJPBMNQVPTOCX-RHSMWYFYSA-N 1 3 331.476 1.408 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(C)c1 ZINC000849068163 595477361 /nfs/dbraw/zinc/47/73/61/595477361.db2.gz LRAYWZZBHCXSIQ-HOTGVXAUSA-N 1 3 334.464 1.333 20 0 EDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096567 595481466 /nfs/dbraw/zinc/48/14/66/595481466.db2.gz VSNYQHYBFRIECQ-GJZGRUSLSA-N 1 3 332.448 1.815 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112694 595483875 /nfs/dbraw/zinc/48/38/75/595483875.db2.gz BZBAQDICPACDDT-OAHLLOKOSA-N 1 3 327.436 1.366 20 0 EDADHO CCN(CC)C(=[NH2+])NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000849117429 595484787 /nfs/dbraw/zinc/48/47/87/595484787.db2.gz FFFKKHPELMCNJU-UHFFFAOYSA-N 1 3 345.491 1.750 20 0 EDADHO O[C@H]1C[C@@H](NC2CC[NH+](CCN3CCOCC3)CC2)c2ccccc21 ZINC000850529504 595528978 /nfs/dbraw/zinc/52/89/78/595528978.db2.gz QRVWCCFMKWOXQB-UXHICEINSA-N 1 3 345.487 1.551 20 0 EDADHO Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502420 595552845 /nfs/dbraw/zinc/55/28/45/595552845.db2.gz QJKYFDYQEAGHIM-SJORKVTESA-N 1 3 347.507 1.446 20 0 EDADHO CN(C)CCn1c(=O)oc2ccc(NC(=O)C=C3CC[NH2+]CC3)cc21 ZINC000852864186 595584967 /nfs/dbraw/zinc/58/49/67/595584967.db2.gz YTFTVHFBWBTTNS-UHFFFAOYSA-N 1 3 344.415 1.404 20 0 EDADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849597252 595586209 /nfs/dbraw/zinc/58/62/09/595586209.db2.gz RQVFSHNTLAEKNR-BSWAZPDLSA-N 1 3 333.480 1.006 20 0 EDADHO [NH3+]CCCCCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852929664 595618836 /nfs/dbraw/zinc/61/88/36/595618836.db2.gz APLQTLCOGJFIDW-OAHLLOKOSA-N 1 3 348.495 1.044 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)ccc1F ZINC000855346113 595680062 /nfs/dbraw/zinc/68/00/62/595680062.db2.gz OVDBPJPVQPOAPJ-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc(Cl)ccc1F ZINC000855346113 595680064 /nfs/dbraw/zinc/68/00/64/595680064.db2.gz OVDBPJPVQPOAPJ-NSHDSACASA-N 1 3 330.835 1.876 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCOCC1 ZINC000855347156 595681736 /nfs/dbraw/zinc/68/17/36/595681736.db2.gz VUPQLVXFPNLRAG-HNNXBMFYSA-N 1 3 327.513 1.827 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)C1CCOCC1 ZINC000855347156 595681738 /nfs/dbraw/zinc/68/17/38/595681738.db2.gz VUPQLVXFPNLRAG-HNNXBMFYSA-N 1 3 327.513 1.827 20 0 EDADHO Cc1cc2nc(C)cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)n2n1 ZINC000853822943 595891886 /nfs/dbraw/zinc/89/18/86/595891886.db2.gz VHRXNANHEHIPQT-HNNXBMFYSA-N 1 3 346.479 1.348 20 0 EDADHO Cc1cc2nc(C)cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)n2n1 ZINC000853822943 595891888 /nfs/dbraw/zinc/89/18/88/595891888.db2.gz VHRXNANHEHIPQT-HNNXBMFYSA-N 1 3 346.479 1.348 20 0 EDADHO NC(=O)Cc1cccc2c1CCN(Cc1cccc3c1CC[NH2+]C3)C2 ZINC000866684294 596293208 /nfs/dbraw/zinc/29/32/08/596293208.db2.gz LBIZMWYFYURJSQ-UHFFFAOYSA-N 1 3 335.451 1.918 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870881578 596388175 /nfs/dbraw/zinc/38/81/75/596388175.db2.gz AFDSFBABKALMME-QAQDUYKDSA-N 1 3 333.476 1.803 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000869237337 596456871 /nfs/dbraw/zinc/45/68/71/596456871.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 1 3 348.482 1.352 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000869237337 596456874 /nfs/dbraw/zinc/45/68/74/596456874.db2.gz SCZNBHMXTWCGMY-LSDHHAIUSA-N 1 3 348.482 1.352 20 0 EDADHO CC(C)(C)OC(=O)N1CC=C(C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000863555338 596617034 /nfs/dbraw/zinc/61/70/34/596617034.db2.gz QPNWVDQFJQAQOF-INIZCTEOSA-N 1 3 339.480 1.600 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)CCCCCC[NH3+] ZINC000872155246 596816109 /nfs/dbraw/zinc/81/61/09/596816109.db2.gz PATOGHYZLZNYGK-GJZGRUSLSA-N 1 3 326.485 1.842 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000874170428 596950291 /nfs/dbraw/zinc/95/02/91/596950291.db2.gz MBGSACKLAFMNCB-DOTOQJQBSA-N 1 3 344.459 1.239 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000874170428 596950293 /nfs/dbraw/zinc/95/02/93/596950293.db2.gz MBGSACKLAFMNCB-DOTOQJQBSA-N 1 3 344.459 1.239 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)(C)OC ZINC000876079309 597082027 /nfs/dbraw/zinc/08/20/27/597082027.db2.gz KTVKRHKCISANMV-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCC(C)(C)OC ZINC000876079309 597082029 /nfs/dbraw/zinc/08/20/29/597082029.db2.gz KTVKRHKCISANMV-INIZCTEOSA-N 1 3 342.528 1.859 20 0 EDADHO Cc1nn(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1Cl ZINC000888644272 597104627 /nfs/dbraw/zinc/10/46/27/597104627.db2.gz DOVDJPOKQCFLKJ-UHFFFAOYSA-N 1 3 330.864 1.339 20 0 EDADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873242384 597237023 /nfs/dbraw/zinc/23/70/23/597237023.db2.gz AYDNEQYPICNDJH-QGZVFWFLSA-N 1 3 337.431 1.627 20 0 EDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(CN2CCNC2=O)cc1 ZINC000873262833 597242595 /nfs/dbraw/zinc/24/25/95/597242595.db2.gz PZSOAICXQCTNRX-XKQJLSEDSA-N 1 3 332.448 1.054 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875134610 597296411 /nfs/dbraw/zinc/29/64/11/597296411.db2.gz YATBCQIUUBRYSM-FHWLQOOXSA-N 1 3 344.503 1.895 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875134610 597296415 /nfs/dbraw/zinc/29/64/15/597296415.db2.gz YATBCQIUUBRYSM-FHWLQOOXSA-N 1 3 344.503 1.895 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779455 597337869 /nfs/dbraw/zinc/33/78/69/597337869.db2.gz FUVGJZUTAAHSQF-HKUYNNGSSA-N 1 3 346.475 1.534 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876876404 597365345 /nfs/dbraw/zinc/36/53/45/597365345.db2.gz DTWBUPYYHBRKJN-GOEBONIOSA-N 1 3 325.403 1.664 20 0 EDADHO CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966862 597400876 /nfs/dbraw/zinc/40/08/76/597400876.db2.gz XUNVBBOLAARGOX-QLFBSQMISA-N 1 3 341.496 1.725 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000877080299 597427399 /nfs/dbraw/zinc/42/73/99/597427399.db2.gz ARLIEQKRNKKISP-RTRPANQVSA-N 1 3 335.492 1.646 20 0 EDADHO CCC1(N2CCOCC2)CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877081381 597427806 /nfs/dbraw/zinc/42/78/06/597427806.db2.gz NFEOEGHXIFKSPE-APWZRJJASA-N 1 3 335.492 1.622 20 0 EDADHO COCCN(C[C@@H]1CN(C2CC2)C(=O)O1)CC1CC[NH+](C)CC1 ZINC000879126845 597827448 /nfs/dbraw/zinc/82/74/48/597827448.db2.gz NNERLRVMQGNMPI-MRXNPFEDSA-N 1 3 325.453 1.260 20 0 EDADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879019 /nfs/dbraw/zinc/87/90/19/597879019.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 1 3 329.460 1.141 20 0 EDADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879021 /nfs/dbraw/zinc/87/90/21/597879021.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 1 3 329.460 1.141 20 0 EDADHO Cn1cncc1CCCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880253050 597883511 /nfs/dbraw/zinc/88/35/11/597883511.db2.gz HUYIPEJVNUAYGL-UHFFFAOYSA-N 1 3 333.480 1.159 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000889332981 597941701 /nfs/dbraw/zinc/94/17/01/597941701.db2.gz PVXZDMUJODVVBK-HOTGVXAUSA-N 1 3 342.528 1.763 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000889332981 597941703 /nfs/dbraw/zinc/94/17/03/597941703.db2.gz PVXZDMUJODVVBK-HOTGVXAUSA-N 1 3 342.528 1.763 20 0 EDADHO CO[C@@H](CN)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000884187865 598019304 /nfs/dbraw/zinc/01/93/04/598019304.db2.gz RJIZZWROAMIIAU-RKVPGOIHSA-N 1 3 333.476 1.754 20 0 EDADHO COCC[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223726 598035226 /nfs/dbraw/zinc/03/52/26/598035226.db2.gz XRBRJHIFCBMZHR-CIRFHOKZSA-N 1 3 333.476 1.623 20 0 EDADHO COCC[C@H](N)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223726 598035230 /nfs/dbraw/zinc/03/52/30/598035230.db2.gz XRBRJHIFCBMZHR-CIRFHOKZSA-N 1 3 333.476 1.623 20 0 EDADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000884327914 598069203 /nfs/dbraw/zinc/06/92/03/598069203.db2.gz FSHDSEUEPLUFMQ-KSZLIROESA-N 1 3 331.460 1.473 20 0 EDADHO CO[C@@H](CN)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000884327914 598069205 /nfs/dbraw/zinc/06/92/05/598069205.db2.gz FSHDSEUEPLUFMQ-KSZLIROESA-N 1 3 331.460 1.473 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000881388457 598137643 /nfs/dbraw/zinc/13/76/43/598137643.db2.gz NQLPVKZXFMASQV-MRXNPFEDSA-N 1 3 325.497 1.722 20 0 EDADHO COCCN1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467477 696904082 /nfs/dbraw/zinc/90/40/82/696904082.db2.gz VMIPJHFCAYZXRD-YJBOKZPZSA-N 1 3 333.476 1.977 20 0 EDADHO C[NH+](C)CCCS(=O)(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC000917822083 697082369 /nfs/dbraw/zinc/08/23/69/697082369.db2.gz KTYMFYCXGPXJPP-UHFFFAOYSA-N 1 3 348.472 1.618 20 0 EDADHO CC1(NCc2cnns2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115583 700230473 /nfs/dbraw/zinc/23/04/73/700230473.db2.gz NQVKNHBNDGLNCG-OAHLLOKOSA-N 1 3 349.504 1.351 20 0 EDADHO COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000925336823 698530234 /nfs/dbraw/zinc/53/02/34/698530234.db2.gz GCOQYRKBGKCDLR-ZIAGYGMSSA-N 1 3 333.436 1.014 20 0 EDADHO CCc1onc(C)c1CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063594 699130400 /nfs/dbraw/zinc/13/04/00/699130400.db2.gz ITPFPOLOTZINFK-DYVFJYSZSA-N 1 3 348.491 1.824 20 0 EDADHO CC(C)CCN1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545148 701575967 /nfs/dbraw/zinc/57/59/67/701575967.db2.gz NYVMGMNGUZOGPL-UHFFFAOYSA-N 1 3 336.524 1.203 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128756 699207488 /nfs/dbraw/zinc/20/74/88/699207488.db2.gz PBKBQNNSKYCDSQ-GOEBONIOSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCc1ccc(F)cc1F ZINC000939544562 699686134 /nfs/dbraw/zinc/68/61/34/699686134.db2.gz KQXJGNJLGMKYIN-GUYCJALGSA-N 1 3 349.425 1.997 20 0 EDADHO CC(C)CN1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677363 701615941 /nfs/dbraw/zinc/61/59/41/701615941.db2.gz NHGXHZXKEYOCAY-IRXDYDNUSA-N 1 3 336.524 1.344 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940426478 700620169 /nfs/dbraw/zinc/62/01/69/700620169.db2.gz SBQRLSHAEYXLRU-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO CCn1cc(CNC2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nn1 ZINC000940426478 700620172 /nfs/dbraw/zinc/62/01/72/700620172.db2.gz SBQRLSHAEYXLRU-OAHLLOKOSA-N 1 3 348.495 1.111 20 0 EDADHO Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000940461885 700665320 /nfs/dbraw/zinc/66/53/20/700665320.db2.gz PYXWHTSOHCCAGU-UHFFFAOYSA-N 1 3 331.464 1.352 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748277 700873931 /nfs/dbraw/zinc/87/39/31/700873931.db2.gz WXWYODKRERPATK-HOTGVXAUSA-N 1 3 339.524 1.848 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748277 700873934 /nfs/dbraw/zinc/87/39/34/700873934.db2.gz WXWYODKRERPATK-HOTGVXAUSA-N 1 3 339.524 1.848 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940736735 700877877 /nfs/dbraw/zinc/87/78/77/700877877.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 1 3 325.497 1.458 20 0 EDADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)CC1(C)C ZINC000940736735 700877879 /nfs/dbraw/zinc/87/78/79/700877879.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372412 701858232 /nfs/dbraw/zinc/85/82/32/701858232.db2.gz DQPYZENUKQNKRH-SJORKVTESA-N 1 3 339.524 1.945 20 0 EDADHO C[C@@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC000948372412 701858234 /nfs/dbraw/zinc/85/82/34/701858234.db2.gz DQPYZENUKQNKRH-SJORKVTESA-N 1 3 339.524 1.945 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031980593 702139346 /nfs/dbraw/zinc/13/93/46/702139346.db2.gz WERAXJFASQJAJP-VQIMIIECSA-N 1 3 329.488 1.783 20 0 EDADHO Cc1ccc(CCN2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031980593 702139349 /nfs/dbraw/zinc/13/93/49/702139349.db2.gz WERAXJFASQJAJP-VQIMIIECSA-N 1 3 329.488 1.783 20 0 EDADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890451 702231397 /nfs/dbraw/zinc/23/13/97/702231397.db2.gz BBSKQVKSEAAGGO-IAGOWNOFSA-N 1 3 330.476 1.748 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995926445 702254859 /nfs/dbraw/zinc/25/48/59/702254859.db2.gz NTITYGYLFLBKMK-CVEARBPZSA-N 1 3 335.496 1.333 20 0 EDADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCOCC1)[NH+]1CCCCCC1 ZINC001032664560 706657896 /nfs/dbraw/zinc/65/78/96/706657896.db2.gz IECHFZNWGSQFSB-NEWSRXKRSA-N 1 3 349.519 1.963 20 0 EDADHO Cc1nn(C)cc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167353 702406322 /nfs/dbraw/zinc/40/63/22/702406322.db2.gz DBJPZQFUOKLOIO-WMLDXEAASA-N 1 3 345.491 1.151 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996299944 702691299 /nfs/dbraw/zinc/69/12/99/702691299.db2.gz HFRUMGPZWAODHH-HOTGVXAUSA-N 1 3 333.480 1.052 20 0 EDADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300217 702691967 /nfs/dbraw/zinc/69/19/67/702691967.db2.gz KJNCVSLUJWALQV-DOTOQJQBSA-N 1 3 347.507 1.131 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302608 702694890 /nfs/dbraw/zinc/69/48/90/702694890.db2.gz XWQSVXVFUSTJJE-NVXWUHKLSA-N 1 3 337.508 1.581 20 0 EDADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032675939 706695413 /nfs/dbraw/zinc/69/54/13/706695413.db2.gz XBPDPVYFVVWQQS-RLNQZENFSA-N 1 3 345.491 1.390 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccnc3C)CC2)CC[N@@H+]1C ZINC000996603982 702913604 /nfs/dbraw/zinc/91/36/04/702913604.db2.gz PDCSXZIXJLAYCX-FUHWJXTLSA-N 1 3 345.491 1.596 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NCc3nccnc3C)CC2)CC[N@H+]1C ZINC000996603982 702913605 /nfs/dbraw/zinc/91/36/05/702913605.db2.gz PDCSXZIXJLAYCX-FUHWJXTLSA-N 1 3 345.491 1.596 20 0 EDADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000996667061 702963892 /nfs/dbraw/zinc/96/38/92/702963892.db2.gz SCEYZKWBTJSTBV-MRXNPFEDSA-N 1 3 347.507 1.479 20 0 EDADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCC(NCc3nccn3C)CC2)C1 ZINC000996667061 702963893 /nfs/dbraw/zinc/96/38/93/702963893.db2.gz SCEYZKWBTJSTBV-MRXNPFEDSA-N 1 3 347.507 1.479 20 0 EDADHO CCn1cc(CC[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cn1 ZINC000996664636 702966782 /nfs/dbraw/zinc/96/67/82/702966782.db2.gz LBGXKPZPWAFUHR-UHFFFAOYSA-N 1 3 347.507 1.510 20 0 EDADHO COc1cc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)on1 ZINC000996675154 702974339 /nfs/dbraw/zinc/97/43/39/702974339.db2.gz FIYLNFASCMEEMY-MRXNPFEDSA-N 1 3 336.436 1.104 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996691132 702988424 /nfs/dbraw/zinc/98/84/24/702988424.db2.gz SHNGGYJHASOJDU-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO Cc1cc(CNC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996691132 702988425 /nfs/dbraw/zinc/98/84/25/702988425.db2.gz SHNGGYJHASOJDU-GOSISDBHSA-N 1 3 345.491 1.740 20 0 EDADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000996715373 703009939 /nfs/dbraw/zinc/00/99/39/703009939.db2.gz FSZKRBRFUFTCDG-HOCLYGCPSA-N 1 3 349.504 1.636 20 0 EDADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCC(NCc2cnns2)CC1 ZINC000996715373 703009942 /nfs/dbraw/zinc/00/99/42/703009942.db2.gz FSZKRBRFUFTCDG-HOCLYGCPSA-N 1 3 349.504 1.636 20 0 EDADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCCN3C)CC2)ncn1 ZINC000996725096 703019651 /nfs/dbraw/zinc/01/96/51/703019651.db2.gz RJOATFHIIKFKTO-KRWDZBQOSA-N 1 3 331.464 1.350 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000996769450 703060571 /nfs/dbraw/zinc/06/05/71/703060571.db2.gz GAXHNNOWYYJJRM-UHFFFAOYSA-N 1 3 348.447 1.392 20 0 EDADHO CC1CC(C[NH2+]C2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)CC2)C1 ZINC000996815652 703101790 /nfs/dbraw/zinc/10/17/90/703101790.db2.gz DAANUABIKNIIKD-ZVQXUQNISA-N 1 3 347.503 1.476 20 0 EDADHO Cn1ccc(CNC2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC000996860978 703144269 /nfs/dbraw/zinc/14/42/69/703144269.db2.gz XHBGMNUXCKDAMD-SFHVURJKSA-N 1 3 345.491 1.375 20 0 EDADHO C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)O1 ZINC000996999407 703256395 /nfs/dbraw/zinc/25/63/95/703256395.db2.gz OELYPGIIUCGDNJ-DOTOQJQBSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997001534 703258191 /nfs/dbraw/zinc/25/81/91/703258191.db2.gz UYLBEQJAEJNSNP-QFBILLFUSA-N 1 3 345.487 1.785 20 0 EDADHO Cc1ccncc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996996680 703259931 /nfs/dbraw/zinc/25/99/31/703259931.db2.gz YAWIHMZRMTXRHG-INIZCTEOSA-N 1 3 330.476 1.955 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997008042 703265554 /nfs/dbraw/zinc/26/55/54/703265554.db2.gz UPZHAFKJHXMJKH-OAHLLOKOSA-N 1 3 333.480 1.325 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997008042 703265555 /nfs/dbraw/zinc/26/55/55/703265555.db2.gz UPZHAFKJHXMJKH-OAHLLOKOSA-N 1 3 333.480 1.325 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)on1 ZINC000997008794 703267061 /nfs/dbraw/zinc/26/70/61/703267061.db2.gz XETBSILCONMSOY-CYBMUJFWSA-N 1 3 336.436 1.106 20 0 EDADHO COc1cc(CNC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)on1 ZINC000997008794 703267063 /nfs/dbraw/zinc/26/70/63/703267063.db2.gz XETBSILCONMSOY-CYBMUJFWSA-N 1 3 336.436 1.106 20 0 EDADHO C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC2)CC1 ZINC001032408963 703438244 /nfs/dbraw/zinc/43/82/44/703438244.db2.gz QHMQUFICRWPEGZ-OKYOBFRVSA-N 1 3 347.503 1.428 20 0 EDADHO Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000997306742 703565210 /nfs/dbraw/zinc/56/52/10/703565210.db2.gz KMLNMRXSVKOGSF-HNNXBMFYSA-N 1 3 331.464 1.522 20 0 EDADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCO)CC1 ZINC000997431632 703663538 /nfs/dbraw/zinc/66/35/38/703663538.db2.gz RRKZMXVMHPCHHD-OAHLLOKOSA-N 1 3 333.476 1.571 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999294006 706791288 /nfs/dbraw/zinc/79/12/88/706791288.db2.gz OWRSQJJRKPWRFX-RDUJMCCZSA-N 1 3 334.464 1.792 20 0 EDADHO Cc1oncc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000999294006 706791291 /nfs/dbraw/zinc/79/12/91/706791291.db2.gz OWRSQJJRKPWRFX-RDUJMCCZSA-N 1 3 334.464 1.792 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997793617 704706467 /nfs/dbraw/zinc/70/64/67/704706467.db2.gz RZDZCYUIURSPNA-CXAGYDPISA-N 1 3 334.464 1.651 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)o1 ZINC000997793617 704706470 /nfs/dbraw/zinc/70/64/70/704706470.db2.gz RZDZCYUIURSPNA-CXAGYDPISA-N 1 3 334.464 1.651 20 0 EDADHO Cc1cc(CNCC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000997889437 704791348 /nfs/dbraw/zinc/79/13/48/704791348.db2.gz VTYNYVZSDXOUKL-UHFFFAOYSA-N 1 3 346.475 1.940 20 0 EDADHO Cn1nccc1C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000998080895 705300410 /nfs/dbraw/zinc/30/04/10/705300410.db2.gz FKUKCVSIBMQTJI-UHFFFAOYSA-N 1 3 347.507 1.480 20 0 EDADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H]2CCCCO2)CC1 ZINC001032602869 705406424 /nfs/dbraw/zinc/40/64/24/705406424.db2.gz FPMNEOOEMXAUET-OKZBNKHCSA-N 1 3 335.492 1.573 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998215617 705536798 /nfs/dbraw/zinc/53/67/98/705536798.db2.gz CJFRROWSSNKWFD-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO Cc1ncc(CNCC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998215617 705536800 /nfs/dbraw/zinc/53/68/00/705536800.db2.gz CJFRROWSSNKWFD-MRXNPFEDSA-N 1 3 334.464 1.653 20 0 EDADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998548301 705984095 /nfs/dbraw/zinc/98/40/95/705984095.db2.gz GCUVQEYZGRSUQG-GCZXYKMCSA-N 1 3 342.896 1.970 20 0 EDADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2cncc(F)c2)C1 ZINC000999050886 706471883 /nfs/dbraw/zinc/47/18/83/706471883.db2.gz NVSOGLASAUPQSI-UHFFFAOYSA-N 1 3 346.450 1.928 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC000999145071 706558515 /nfs/dbraw/zinc/55/85/15/706558515.db2.gz PJDZHWYPPGJRFQ-QZTJIDSGSA-N 1 3 345.491 1.738 20 0 EDADHO Cc1ncc(CN[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC000999145071 706558517 /nfs/dbraw/zinc/55/85/17/706558517.db2.gz PJDZHWYPPGJRFQ-QZTJIDSGSA-N 1 3 345.491 1.738 20 0 EDADHO CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000999373762 706868515 /nfs/dbraw/zinc/86/85/15/706868515.db2.gz HTHDVNFWJOQPTL-UPTPFMHGSA-N 1 3 337.508 1.866 20 0 EDADHO Cc1cncc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000999402090 706910383 /nfs/dbraw/zinc/91/03/83/706910383.db2.gz DHWHEBXDWCQKRF-RWBZWWBESA-N 1 3 330.476 1.811 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cn1 ZINC000999405235 706914288 /nfs/dbraw/zinc/91/42/88/706914288.db2.gz DIZDZYCGKKFGME-FAEJEUNOSA-N 1 3 347.507 1.509 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999409101 706918782 /nfs/dbraw/zinc/91/87/82/706918782.db2.gz OIJQKFGTYLRFGA-KTAKPFMOSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cnc(CNC2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999409101 706918785 /nfs/dbraw/zinc/91/87/85/706918785.db2.gz OIJQKFGTYLRFGA-KTAKPFMOSA-N 1 3 331.464 1.206 20 0 EDADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764393 707318892 /nfs/dbraw/zinc/31/88/92/707318892.db2.gz JQTDSUOZPHIFJI-ISXWCOSWSA-N 1 3 333.476 1.230 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033276280 707340490 /nfs/dbraw/zinc/34/04/90/707340490.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 1 3 333.476 1.182 20 0 EDADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033276280 707340493 /nfs/dbraw/zinc/34/04/93/707340493.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 1 3 333.476 1.182 20 0 EDADHO Cn1nccc1CN[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791280 707362574 /nfs/dbraw/zinc/36/25/74/707362574.db2.gz JYSNSGATRFWFEY-WMZOPIPTSA-N 1 3 345.491 1.375 20 0 EDADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000999875864 707522474 /nfs/dbraw/zinc/52/24/74/707522474.db2.gz BYMZOKXPKXCENL-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1CC(NCc2cnc(C)cn2)C1 ZINC000999875864 707522476 /nfs/dbraw/zinc/52/24/76/707522476.db2.gz BYMZOKXPKXCENL-VJFUWPCTSA-N 1 3 345.491 1.738 20 0 EDADHO O=C(N1C[C@@H]2C[C@H]1CN2CC[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733576 707741418 /nfs/dbraw/zinc/74/14/18/707741418.db2.gz BAOQJOBAJKKJEW-YESZJQIVSA-N 1 3 333.476 1.327 20 0 EDADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423998 707841356 /nfs/dbraw/zinc/84/13/56/707841356.db2.gz WHAIMIJWQXRALX-QAPCUYQASA-N 1 3 333.476 1.318 20 0 EDADHO CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1)C1CCC1 ZINC001005184566 708111367 /nfs/dbraw/zinc/11/13/67/708111367.db2.gz ODHMVITXZZRLDK-MSOLQXFVSA-N 1 3 337.508 1.819 20 0 EDADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038232 708559504 /nfs/dbraw/zinc/55/95/04/708559504.db2.gz UZILPZITIBJAPP-SFHVURJKSA-N 1 3 339.524 1.852 20 0 EDADHO CN(C(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CC[NH+](CCCF)CC1 ZINC001005424473 708942412 /nfs/dbraw/zinc/94/24/12/708942412.db2.gz JTZORCVJHMZNMT-HZPDHXFCSA-N 1 3 327.444 1.132 20 0 EDADHO CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(CCCO)C1 ZINC001033990875 709197968 /nfs/dbraw/zinc/19/79/68/709197968.db2.gz ZDNBXTNYNMKMAS-GOSISDBHSA-N 1 3 333.476 1.667 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)CC[N@@H+]1C ZINC001002852626 709462897 /nfs/dbraw/zinc/46/28/97/709462897.db2.gz RLGKNUDKENVNRL-DNVCBOLYSA-N 1 3 345.487 1.600 20 0 EDADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(CO)cc3)CC2)CC[N@H+]1C ZINC001002852626 709462898 /nfs/dbraw/zinc/46/28/98/709462898.db2.gz RLGKNUDKENVNRL-DNVCBOLYSA-N 1 3 345.487 1.600 20 0 EDADHO O=C(N[C@@H]1CCCCN(CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210293 709559880 /nfs/dbraw/zinc/55/98/80/709559880.db2.gz GKBLXAAFHGKZIF-MJGOQNOKSA-N 1 3 349.519 1.868 20 0 EDADHO C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034330269 709784653 /nfs/dbraw/zinc/78/46/53/709784653.db2.gz LSLQVNAMMVROCV-QGZVFWFLSA-N 1 3 333.476 1.367 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632798 710461224 /nfs/dbraw/zinc/46/12/24/710461224.db2.gz CIXQUAKKURLQFE-QAPCUYQASA-N 1 3 347.507 1.224 20 0 EDADHO CCn1cc(CCN2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632798 710461225 /nfs/dbraw/zinc/46/12/25/710461225.db2.gz CIXQUAKKURLQFE-QAPCUYQASA-N 1 3 347.507 1.224 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003776022 710545043 /nfs/dbraw/zinc/54/50/43/710545043.db2.gz GDNXSRQCKFNPEU-ROUUACIJSA-N 1 3 345.491 1.481 20 0 EDADHO O=C(NC1CCN(CCn2cccn2)CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001003776022 710545045 /nfs/dbraw/zinc/54/50/45/710545045.db2.gz GDNXSRQCKFNPEU-ROUUACIJSA-N 1 3 345.491 1.481 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736797 710924149 /nfs/dbraw/zinc/92/41/49/710924149.db2.gz DAYILIPBTDSRHO-QEWYBTABSA-N 1 3 334.464 1.698 20 0 EDADHO Cc1ncc(CN[C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736797 710924154 /nfs/dbraw/zinc/92/41/54/710924154.db2.gz DAYILIPBTDSRHO-QEWYBTABSA-N 1 3 334.464 1.698 20 0 EDADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034935617 711362859 /nfs/dbraw/zinc/36/28/59/711362859.db2.gz AJQJUHYBFXDQDD-NVXWUHKLSA-N 1 3 333.480 1.374 20 0 EDADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1cncn1C ZINC001034935617 711362862 /nfs/dbraw/zinc/36/28/62/711362862.db2.gz AJQJUHYBFXDQDD-NVXWUHKLSA-N 1 3 333.480 1.374 20 0 EDADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1CNCc1ccc(F)cn1)C1CC1 ZINC001034959284 711433729 /nfs/dbraw/zinc/43/37/29/711433729.db2.gz WFOCOOCWDRPBIP-IAGOWNOFSA-N 1 3 334.439 1.642 20 0 EDADHO CO[C@@H](CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149174 711562982 /nfs/dbraw/zinc/56/29/82/711562982.db2.gz FRHJXXYTYVRQPP-HKUYNNGSSA-N 1 3 345.487 1.906 20 0 EDADHO CO[C@@H](CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ccccc1 ZINC001004149174 711562985 /nfs/dbraw/zinc/56/29/85/711562985.db2.gz FRHJXXYTYVRQPP-HKUYNNGSSA-N 1 3 345.487 1.906 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004549484 711960461 /nfs/dbraw/zinc/96/04/61/711960461.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004549484 711960462 /nfs/dbraw/zinc/96/04/62/711960462.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 1 3 337.508 1.556 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]2CC1)N(C)C ZINC000946642442 712128188 /nfs/dbraw/zinc/12/81/88/712128188.db2.gz JNKPZTCTWKFXEB-SOLBZPMBSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cncn3C)C[C@H]2CC1)N(C)C ZINC000946642442 712128189 /nfs/dbraw/zinc/12/81/89/712128189.db2.gz JNKPZTCTWKFXEB-SOLBZPMBSA-N 1 3 347.507 1.431 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946643036 712130155 /nfs/dbraw/zinc/13/01/55/712130155.db2.gz ZDUGAVJCNXOOGG-WNRNVDISSA-N 1 3 337.508 1.534 20 0 EDADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2CC1)N(C)C ZINC000946643036 712130159 /nfs/dbraw/zinc/13/01/59/712130159.db2.gz ZDUGAVJCNXOOGG-WNRNVDISSA-N 1 3 337.508 1.534 20 0 EDADHO CN(C)CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)C(C)(C)C ZINC000173778347 231031160 /nfs/dbraw/zinc/03/11/60/231031160.db2.gz UCSZHEDDSCLEKA-HOTGVXAUSA-N 1 3 335.496 1.872 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705099 /nfs/dbraw/zinc/70/50/99/539705099.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 1 3 338.540 1.641 20 0 EDADHO CCN1CCN(C[C@H](C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705104 /nfs/dbraw/zinc/70/51/04/539705104.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 1 3 338.540 1.641 20 0 EDADHO C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291052 /nfs/dbraw/zinc/29/10/52/306291052.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 1 3 342.487 1.848 20 0 EDADHO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291053 /nfs/dbraw/zinc/29/10/53/306291053.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 1 3 342.487 1.848 20 0 EDADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000562794263 306309304 /nfs/dbraw/zinc/30/93/04/306309304.db2.gz DQVRXTHGCPDOJU-FUHWJXTLSA-N 1 3 330.476 1.950 20 0 EDADHO CC1=CCN(CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806952 306309720 /nfs/dbraw/zinc/30/97/20/306309720.db2.gz PIWIQVFRTLOECH-GOSISDBHSA-N 1 3 328.460 1.825 20 0 EDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982755 306314715 /nfs/dbraw/zinc/31/47/15/306314715.db2.gz JQUCFZOKLXTICZ-TXCZRRACSA-N 1 3 348.495 1.119 20 0 EDADHO CN1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390153 306331523 /nfs/dbraw/zinc/33/15/23/306331523.db2.gz OKUVJPUWFHNOGO-DJIMGWMZSA-N 1 3 337.533 1.757 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093361106 138293207 /nfs/dbraw/zinc/29/32/07/138293207.db2.gz YUTWTBACTZPKBY-SFHVURJKSA-N 1 3 344.503 1.787 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093361106 138293208 /nfs/dbraw/zinc/29/32/08/138293208.db2.gz YUTWTBACTZPKBY-SFHVURJKSA-N 1 3 344.503 1.787 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423414271 283231952 /nfs/dbraw/zinc/23/19/52/283231952.db2.gz MMNOODTYPVHBHX-HZPDHXFCSA-N 1 3 340.512 1.010 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000564845334 306366945 /nfs/dbraw/zinc/36/69/45/306366945.db2.gz WMHHNIZEHPCNKO-GOSISDBHSA-N 1 3 332.444 1.845 20 0 EDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414199753 304105872 /nfs/dbraw/zinc/10/58/72/304105872.db2.gz RGDHYMMOBRHLSS-GOSISDBHSA-N 1 3 349.523 1.294 20 0 EDADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1(C)C ZINC000414200516 304105630 /nfs/dbraw/zinc/10/56/30/304105630.db2.gz RYIABPDJAGYCGX-GVDBMIGSSA-N 1 3 339.524 1.432 20 0 EDADHO CC[C@@H](COC)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331287 304107084 /nfs/dbraw/zinc/10/70/84/304107084.db2.gz SUBQXKFWRKEECZ-SFHVURJKSA-N 1 3 333.476 1.899 20 0 EDADHO CC(C)(CNC(=O)NC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000565646560 306388766 /nfs/dbraw/zinc/38/87/66/306388766.db2.gz FASKSCQOLFUGCJ-KRWDZBQOSA-N 1 3 330.476 1.875 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000565894221 306394385 /nfs/dbraw/zinc/39/43/85/306394385.db2.gz GUFFBPNUXITHOA-OAHLLOKOSA-N 1 3 328.420 1.344 20 0 EDADHO COc1ccc(Br)cc1CNCCCN1CC[NH2+]CC1 ZINC000414784623 304140499 /nfs/dbraw/zinc/14/04/99/304140499.db2.gz SVNYPQFYYRHGJC-UHFFFAOYSA-N 1 3 342.281 1.843 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000414839466 304146562 /nfs/dbraw/zinc/14/65/62/304146562.db2.gz XOGJLDAKMHZUHE-INIZCTEOSA-N 1 3 344.459 1.478 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758970 284125175 /nfs/dbraw/zinc/12/51/75/284125175.db2.gz KAJIKGBQDWDEOW-BPLDGKMQSA-N 1 3 342.434 1.642 20 0 EDADHO O=C(N[C@@H]1CNCCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000418758970 284125176 /nfs/dbraw/zinc/12/51/76/284125176.db2.gz KAJIKGBQDWDEOW-BPLDGKMQSA-N 1 3 342.434 1.642 20 0 EDADHO CN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)C1C[NH2+]C1 ZINC000415065402 304156387 /nfs/dbraw/zinc/15/63/87/304156387.db2.gz GEQBBLFNDUSLGF-UHFFFAOYSA-N 1 3 334.489 1.713 20 0 EDADHO COc1cc(CN2CC[C@H](NC[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077084 304157916 /nfs/dbraw/zinc/15/79/16/304157916.db2.gz DSMBJZIBQJWPLL-LPHOPBHVSA-N 1 3 333.476 1.867 20 0 EDADHO CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000567146474 306439495 /nfs/dbraw/zinc/43/94/95/306439495.db2.gz WVCGIKLQWIECJE-ROUUACIJSA-N 1 3 345.491 1.026 20 0 EDADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000415126162 304162020 /nfs/dbraw/zinc/16/20/20/304162020.db2.gz UADUFSCWFSYYPS-CQSZACIVSA-N 1 3 344.459 1.609 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000415138074 304163604 /nfs/dbraw/zinc/16/36/04/304163604.db2.gz GKYUEXVDVVFYPO-PBHICJAKSA-N 1 3 344.459 1.430 20 0 EDADHO COCCNCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237202243 139043851 /nfs/dbraw/zinc/04/38/51/139043851.db2.gz ORHXMARFWSNQDY-UHFFFAOYSA-N 1 3 333.476 1.915 20 0 EDADHO COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CC[NH2+]C3)CCCN2C)cc1 ZINC000237305224 139047220 /nfs/dbraw/zinc/04/72/20/139047220.db2.gz ZGJMTWZBGVFZBT-LZLYRXPVSA-N 1 3 331.460 1.804 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000237417901 139050658 /nfs/dbraw/zinc/05/06/58/139050658.db2.gz IBZFBMASTUQXFC-HKUYNNGSSA-N 1 3 344.503 1.927 20 0 EDADHO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000415305584 304190022 /nfs/dbraw/zinc/19/00/22/304190022.db2.gz WRIIWTSZRGBHEK-KRWDZBQOSA-N 1 3 346.475 1.676 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627050 139212435 /nfs/dbraw/zinc/21/24/35/139212435.db2.gz CQEMUMDJADBUDT-HKUYNNGSSA-N 1 3 345.487 1.421 20 0 EDADHO N[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627050 139212436 /nfs/dbraw/zinc/21/24/36/139212436.db2.gz CQEMUMDJADBUDT-HKUYNNGSSA-N 1 3 345.487 1.421 20 0 EDADHO CC(C)(CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCc2ccccc2C1 ZINC000261772368 139224623 /nfs/dbraw/zinc/22/46/23/139224623.db2.gz MJANVEPKAYEPHP-GOSISDBHSA-N 1 3 345.487 1.693 20 0 EDADHO C[C@@]1(C[NH3+])CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831257 139229755 /nfs/dbraw/zinc/22/97/55/139229755.db2.gz YTOSWXAIJWCUQS-IBGZPJMESA-N 1 3 348.466 1.535 20 0 EDADHO C[C@@]1(CN)CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831257 139229756 /nfs/dbraw/zinc/22/97/56/139229756.db2.gz YTOSWXAIJWCUQS-IBGZPJMESA-N 1 3 348.466 1.535 20 0 EDADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831257 139229757 /nfs/dbraw/zinc/22/97/57/139229757.db2.gz YTOSWXAIJWCUQS-IBGZPJMESA-N 1 3 348.466 1.535 20 0 EDADHO O=C(CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)NCCc1ccccc1 ZINC000261964454 139240368 /nfs/dbraw/zinc/24/03/68/139240368.db2.gz PXUSCWKMWAYFDK-KURKYZTESA-N 1 3 331.460 1.092 20 0 EDADHO CCN1CCN(c2cccc(NC(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415503537 304225124 /nfs/dbraw/zinc/22/51/24/304225124.db2.gz VBEPVKGGRAKEAP-QGZVFWFLSA-N 1 3 331.464 1.687 20 0 EDADHO Cc1cccc(-c2n[nH]cc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262120550 139252551 /nfs/dbraw/zinc/25/25/51/139252551.db2.gz MCGRTTVGNREPEP-GOSISDBHSA-N 1 3 325.460 1.865 20 0 EDADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000262317718 139269535 /nfs/dbraw/zinc/26/95/35/139269535.db2.gz ZXIAXBGFBAINMS-AEFFLSMTSA-N 1 3 346.475 1.039 20 0 EDADHO [NH3+]CCCCNC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000417014760 251132440 /nfs/dbraw/zinc/13/24/40/251132440.db2.gz FWHUOSMPYVKSHT-UHFFFAOYSA-N 1 3 347.507 1.232 20 0 EDADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000417309533 251154125 /nfs/dbraw/zinc/15/41/25/251154125.db2.gz IUCBDPWVNLEMID-BZSNNMDCSA-N 1 3 330.476 1.849 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417587832 251199806 /nfs/dbraw/zinc/19/98/06/251199806.db2.gz SNCQQWCTGZCZRI-HNNXBMFYSA-N 1 3 326.485 1.176 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417705427 251236400 /nfs/dbraw/zinc/23/64/00/251236400.db2.gz SFRUOVYNRCGMDO-INIZCTEOSA-N 1 3 340.512 1.566 20 0 EDADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000417739663 251250390 /nfs/dbraw/zinc/25/03/90/251250390.db2.gz QQISFSMJFIFLHT-GJZGRUSLSA-N 1 3 330.476 1.464 20 0 EDADHO C[C@@H](C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000262513138 139283510 /nfs/dbraw/zinc/28/35/10/139283510.db2.gz DXCOVOLGVSLOPG-SOLBZPMBSA-N 1 3 332.492 1.465 20 0 EDADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132197 251339790 /nfs/dbraw/zinc/33/97/90/251339790.db2.gz DRHKMRUYFAZKBA-QZTJIDSGSA-N 1 3 330.476 1.948 20 0 EDADHO CCN1CCN(Cc2ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000262546133 139285608 /nfs/dbraw/zinc/28/56/08/139285608.db2.gz VEPSHAWPQJJSMW-JKSUJKDBSA-N 1 3 332.492 1.424 20 0 EDADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000418706115 251390347 /nfs/dbraw/zinc/39/03/47/251390347.db2.gz FDKXEKWJZLMCGH-CQSZACIVSA-N 1 3 328.407 1.775 20 0 EDADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658711 139293874 /nfs/dbraw/zinc/29/38/74/139293874.db2.gz WAWSENTVISFAGZ-SJORKVTESA-N 1 3 330.476 1.890 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)[nH]1 ZINC000262831758 139306687 /nfs/dbraw/zinc/30/66/87/139306687.db2.gz VDEPHROGUCHSMJ-UHFFFAOYSA-N 1 3 328.420 1.649 20 0 EDADHO O=C(NCCC[NH2+]C1CCNCC1)c1cccc(Br)c1 ZINC000422857353 252001935 /nfs/dbraw/zinc/00/19/35/252001935.db2.gz GYCWPLKOJGCAPV-UHFFFAOYSA-N 1 3 340.265 1.911 20 0 EDADHO O=C(NCCCNC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000422857353 252001939 /nfs/dbraw/zinc/00/19/39/252001939.db2.gz GYCWPLKOJGCAPV-UHFFFAOYSA-N 1 3 340.265 1.911 20 0 EDADHO CN(C)[C@@]1(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000423348727 252049236 /nfs/dbraw/zinc/04/92/36/252049236.db2.gz UNTAIKKJBQGWKJ-MLGOLLRUSA-N 1 3 337.493 1.044 20 0 EDADHO Cc1cc(CN(C)C)cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000423793972 252077686 /nfs/dbraw/zinc/07/76/86/252077686.db2.gz XHWNCMNBXMMQRR-UHFFFAOYSA-N 1 3 341.459 1.971 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000424162287 252149462 /nfs/dbraw/zinc/14/94/62/252149462.db2.gz ZJQRDDRCIKENKP-MCIONIFRSA-N 1 3 331.464 1.242 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424195366 252158025 /nfs/dbraw/zinc/15/80/25/252158025.db2.gz ZGBPLVUWFZXSKQ-QGZVFWFLSA-N 1 3 344.503 1.787 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000424429153 252226532 /nfs/dbraw/zinc/22/65/32/252226532.db2.gz WGYFHPKVUCTAFH-OAHLLOKOSA-N 1 3 333.480 1.601 20 0 EDADHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230657 139329680 /nfs/dbraw/zinc/32/96/80/139329680.db2.gz NICBEZFNCSIMFO-PXAZEXFGSA-N 1 3 341.858 1.613 20 0 EDADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)C3CNC3)cc2)C1 ZINC000415733802 304262560 /nfs/dbraw/zinc/26/25/60/304262560.db2.gz IKFZIUZWHNEFEP-CQSZACIVSA-N 1 3 344.459 1.287 20 0 EDADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)N(C)C3CNC3)cc2)C1 ZINC000415733802 304262561 /nfs/dbraw/zinc/26/25/61/304262561.db2.gz IKFZIUZWHNEFEP-CQSZACIVSA-N 1 3 344.459 1.287 20 0 EDADHO C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(OCCN(C)C)cc1 ZINC000153102136 533355153 /nfs/dbraw/zinc/35/51/53/533355153.db2.gz OBLFLFPTWTUGOD-OAHLLOKOSA-N 1 3 349.475 1.560 20 0 EDADHO CSCC[C@H](N)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000166180488 533645623 /nfs/dbraw/zinc/64/56/23/533645623.db2.gz BBXHXXRMWRTNOU-AWEZNQCLSA-N 1 3 325.478 1.324 20 0 EDADHO C[NH+](C)[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000416182618 304293779 /nfs/dbraw/zinc/29/37/79/304293779.db2.gz ZYIAJQPPAXKWEX-QZTJIDSGSA-N 1 3 333.476 1.642 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC000416237848 304298764 /nfs/dbraw/zinc/29/87/64/304298764.db2.gz CTWXWXKEVVKMFB-KSZLIROESA-N 1 3 331.460 1.611 20 0 EDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892508 140368092 /nfs/dbraw/zinc/36/80/92/140368092.db2.gz SHTHFYUSOLFKMV-AWEZNQCLSA-N 1 3 337.489 1.849 20 0 EDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892508 140368093 /nfs/dbraw/zinc/36/80/93/140368093.db2.gz SHTHFYUSOLFKMV-AWEZNQCLSA-N 1 3 337.489 1.849 20 0 EDADHO CN(C)C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCO1 ZINC000333245747 141287125 /nfs/dbraw/zinc/28/71/25/141287125.db2.gz BSDDVRZUHSIDAC-ZDUSSCGKSA-N 1 3 336.411 1.266 20 0 EDADHO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCN[C@H](C)C2)CC1 ZINC000333441741 141317424 /nfs/dbraw/zinc/31/74/24/141317424.db2.gz WFLBGMHWCULLAJ-CABCVRRESA-N 1 3 331.464 1.610 20 0 EDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000333542511 141333992 /nfs/dbraw/zinc/33/39/92/141333992.db2.gz ODRXBDCLSMYWKE-BRWVUGGUSA-N 1 3 338.496 1.271 20 0 EDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CNCCO2)C1 ZINC000333542511 141333993 /nfs/dbraw/zinc/33/39/93/141333993.db2.gz ODRXBDCLSMYWKE-BRWVUGGUSA-N 1 3 338.496 1.271 20 0 EDADHO CC(C)[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)C(=O)N1CCOCC1 ZINC000333575670 141339599 /nfs/dbraw/zinc/33/95/99/141339599.db2.gz JHODKMOVVSKIBH-GOSISDBHSA-N 1 3 346.475 1.523 20 0 EDADHO C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC000333672305 141354136 /nfs/dbraw/zinc/35/41/36/141354136.db2.gz YLYJJTLSCRIPHK-FHLIZLRMSA-N 1 3 328.460 1.773 20 0 EDADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333854080 141395093 /nfs/dbraw/zinc/39/50/93/141395093.db2.gz OEBICKNRAWJCQQ-JQHSSLGASA-N 1 3 337.508 1.852 20 0 EDADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000345769550 143131446 /nfs/dbraw/zinc/13/14/46/143131446.db2.gz NRUIWYMZICVACD-HOTGVXAUSA-N 1 3 336.524 1.534 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682755 143231308 /nfs/dbraw/zinc/23/13/08/143231308.db2.gz PNQHVGDLEJIOCT-RHSMWYFYSA-N 1 3 341.459 1.643 20 0 EDADHO CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCN(CC)C[C@@H]3C)C2)nc1 ZINC000346835164 143250156 /nfs/dbraw/zinc/25/01/56/143250156.db2.gz OMULUQVMBXHMEB-YOEHRIQHSA-N 1 3 346.475 1.767 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000347022452 143272604 /nfs/dbraw/zinc/27/26/04/143272604.db2.gz OLLQVIIHJWYLGN-AWEZNQCLSA-N 1 3 345.472 1.492 20 0 EDADHO COc1cc2c(c(CN3CCC[C@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142642 143287049 /nfs/dbraw/zinc/28/70/49/143287049.db2.gz WYHKZDBJGXVGSE-KBPBESRZSA-N 1 3 347.459 1.306 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000347978996 143386848 /nfs/dbraw/zinc/38/68/48/143386848.db2.gz QOXAYGNZNZXCEX-CVEARBPZSA-N 1 3 340.512 1.163 20 0 EDADHO CO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842857 304350903 /nfs/dbraw/zinc/35/09/03/304350903.db2.gz NRTVYDBHRGLNRL-KZNAEPCWSA-N 1 3 346.475 1.409 20 0 EDADHO C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 ZINC000416972398 304358100 /nfs/dbraw/zinc/35/81/00/304358100.db2.gz RWFHBDCRTVTDHT-HNNXBMFYSA-N 1 3 348.491 1.896 20 0 EDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC1(N2CCOCC2)CC1 ZINC000423071323 296626193 /nfs/dbraw/zinc/62/61/93/296626193.db2.gz FHVCNSXSXCJNCI-XLIONFOSSA-N 1 3 343.471 1.697 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416978399 304359559 /nfs/dbraw/zinc/35/95/59/304359559.db2.gz QWRNXVWQFLJZRR-GOSISDBHSA-N 1 3 332.492 1.976 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000355704928 150367181 /nfs/dbraw/zinc/36/71/81/150367181.db2.gz JCQXATSOLYWEGU-INIZCTEOSA-N 1 3 332.492 1.756 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417045993 304365965 /nfs/dbraw/zinc/36/59/65/304365965.db2.gz YZHCQZLWKVYOIF-HNNXBMFYSA-N 1 3 326.485 1.400 20 0 EDADHO CCC[N@H+](CC)CCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357876551 151181005 /nfs/dbraw/zinc/18/10/05/151181005.db2.gz YELBHSZAFIVTDL-UHFFFAOYSA-N 1 3 330.542 1.845 20 0 EDADHO CCC[N@@H+](CC)CCNC(=O)NCC1(SC)CCN(C)CC1 ZINC000357876551 151181006 /nfs/dbraw/zinc/18/10/06/151181006.db2.gz YELBHSZAFIVTDL-UHFFFAOYSA-N 1 3 330.542 1.845 20 0 EDADHO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CCN(C)CC1 ZINC000358072069 151258391 /nfs/dbraw/zinc/25/83/91/151258391.db2.gz BIRRUORHOFKRJG-HNNXBMFYSA-N 1 3 338.496 1.389 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN(CCO)C2CCCCC2)CC1 ZINC000358190991 151300249 /nfs/dbraw/zinc/30/02/49/151300249.db2.gz XOKXQOUHTNQDKW-UHFFFAOYSA-N 1 3 325.497 1.602 20 0 EDADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000358288488 151327709 /nfs/dbraw/zinc/32/77/09/151327709.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000358288488 151327712 /nfs/dbraw/zinc/32/77/12/151327712.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 1 3 339.528 1.186 20 0 EDADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358315692 151334543 /nfs/dbraw/zinc/33/45/43/151334543.db2.gz QMEJKIXSOUQOHP-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000358315692 151334544 /nfs/dbraw/zinc/33/45/44/151334544.db2.gz QMEJKIXSOUQOHP-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000417121490 304374841 /nfs/dbraw/zinc/37/48/41/304374841.db2.gz WQEYDULHRGAKGD-KBPBESRZSA-N 1 3 326.510 1.479 20 0 EDADHO CN(C)[C@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCSC1 ZINC000360377367 152012260 /nfs/dbraw/zinc/01/22/60/152012260.db2.gz LGHFEPSXADQASV-KRWDZBQOSA-N 1 3 342.553 1.987 20 0 EDADHO C[NH2+]CCCNC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000417160173 304379031 /nfs/dbraw/zinc/37/90/31/304379031.db2.gz YCRBCHBMHYGCJX-UHFFFAOYSA-N 1 3 347.507 1.498 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363892606 153088633 /nfs/dbraw/zinc/08/86/33/153088633.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 1 3 331.464 1.046 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363892606 153088636 /nfs/dbraw/zinc/08/86/36/153088636.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 1 3 331.464 1.046 20 0 EDADHO CN(C)c1ccncc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363892606 153088638 /nfs/dbraw/zinc/08/86/38/153088638.db2.gz CHKNKOBDCNSOHH-AWEZNQCLSA-N 1 3 331.464 1.046 20 0 EDADHO O=C(NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCCC[NH2+]1 ZINC000364468773 153246104 /nfs/dbraw/zinc/24/61/04/153246104.db2.gz RYMYDVJFDZRNIO-LJQANCHMSA-N 1 3 345.487 1.792 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283282 154066368 /nfs/dbraw/zinc/06/63/68/154066368.db2.gz UIQZLKOVSDPLKT-DLBZAZTESA-N 1 3 347.459 1.090 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000367283282 154066370 /nfs/dbraw/zinc/06/63/70/154066370.db2.gz UIQZLKOVSDPLKT-DLBZAZTESA-N 1 3 347.459 1.090 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000368011309 154368094 /nfs/dbraw/zinc/36/80/94/154368094.db2.gz XKMNGRVMJYWDCB-DZGCQCFKSA-N 1 3 325.453 1.180 20 0 EDADHO COC(=O)CC[C@@H](N)C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000368011309 154368097 /nfs/dbraw/zinc/36/80/97/154368097.db2.gz XKMNGRVMJYWDCB-DZGCQCFKSA-N 1 3 325.453 1.180 20 0 EDADHO CN(C)CCOc1ccc(CCNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000417528384 304403653 /nfs/dbraw/zinc/40/36/53/304403653.db2.gz PRLFDIZPBYSGOY-KRWDZBQOSA-N 1 3 334.464 1.206 20 0 EDADHO CCOC(C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)OCC ZINC000375093601 157492657 /nfs/dbraw/zinc/49/26/57/157492657.db2.gz FTJGIULULCPRIC-UHFFFAOYSA-N 1 3 327.513 1.735 20 0 EDADHO C[C@@H](C[NH+](C)C)NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000287618876 286817454 /nfs/dbraw/zinc/81/74/54/286817454.db2.gz FELZRDGWQCLBNA-GJZGRUSLSA-N 1 3 333.480 1.856 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276801 162088969 /nfs/dbraw/zinc/08/89/69/162088969.db2.gz XGVYVUKRCMMPJL-HUUCEWRRSA-N 1 3 337.468 1.793 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276801 162088970 /nfs/dbraw/zinc/08/89/70/162088970.db2.gz XGVYVUKRCMMPJL-HUUCEWRRSA-N 1 3 337.468 1.793 20 0 EDADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418187136 304461869 /nfs/dbraw/zinc/46/18/69/304461869.db2.gz CXSYMPKGTKSTAO-LSDHHAIUSA-N 1 3 349.479 1.304 20 0 EDADHO COCCCN(C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000073866790 287265713 /nfs/dbraw/zinc/26/57/13/287265713.db2.gz TVPSCMKXVQCJHU-BRWVUGGUSA-N 1 3 342.528 1.620 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159159836 225160231 /nfs/dbraw/zinc/16/02/31/225160231.db2.gz NRMMABPMCDDBRP-JFIYKMOQSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccnc(N2CCN(C)CC2)c1 ZINC000159159836 225160237 /nfs/dbraw/zinc/16/02/37/225160237.db2.gz NRMMABPMCDDBRP-JFIYKMOQSA-N 1 3 331.508 1.652 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000159159836 225160241 /nfs/dbraw/zinc/16/02/41/225160241.db2.gz NRMMABPMCDDBRP-JFIYKMOQSA-N 1 3 331.508 1.652 20 0 EDADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCCNCc2cccnc2)CC1 ZINC000418334187 304481967 /nfs/dbraw/zinc/48/19/67/304481967.db2.gz WPSNZSXXJMFBPI-WKILWMFISA-N 1 3 333.480 1.626 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418336772 304482675 /nfs/dbraw/zinc/48/26/75/304482675.db2.gz IUFYAADFTMALIH-HNNXBMFYSA-N 1 3 336.455 1.899 20 0 EDADHO CCN(CCO)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000274564955 268160393 /nfs/dbraw/zinc/16/03/93/268160393.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 1 3 335.492 1.961 20 0 EDADHO CCN(CCO)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000274564955 268160394 /nfs/dbraw/zinc/16/03/94/268160394.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 1 3 335.492 1.961 20 0 EDADHO CC[C@@]1(C(=O)NCCc2ccc(OCCN(C)C)cc2)CCC[NH2+]1 ZINC000274590351 268164991 /nfs/dbraw/zinc/16/49/91/268164991.db2.gz JWWOOCPPMOWMOO-IBGZPJMESA-N 1 3 333.476 1.818 20 0 EDADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189601 273076130 /nfs/dbraw/zinc/07/61/30/273076130.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 1 3 330.476 1.854 20 0 EDADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C)CC1 ZINC000274189601 273076131 /nfs/dbraw/zinc/07/61/31/273076131.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 1 3 330.476 1.854 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)no1 ZINC000103212910 272918745 /nfs/dbraw/zinc/91/87/45/272918745.db2.gz GYQAODFEIPXPNO-UHFFFAOYSA-N 1 3 330.432 1.907 20 0 EDADHO CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)c1ccccc1 ZINC000283624636 273907860 /nfs/dbraw/zinc/90/78/60/273907860.db2.gz XRJQVUKQOXOBLW-KRWDZBQOSA-N 1 3 348.491 1.206 20 0 EDADHO CC(C)[C@@H](C(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@@H](C)[NH3+] ZINC000423357611 275666426 /nfs/dbraw/zinc/66/64/26/275666426.db2.gz MJZYVBKHGQEHHG-RHSMWYFYSA-N 1 3 348.491 1.214 20 0 EDADHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374903 /nfs/dbraw/zinc/37/49/03/276374903.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374907 /nfs/dbraw/zinc/37/49/07/276374907.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN(c2ccccc2CN2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050316 276388707 /nfs/dbraw/zinc/38/87/07/276388707.db2.gz MEQTYIQEEYULTC-MJGOQNOKSA-N 1 3 328.504 1.870 20 0 EDADHO Cc1cccc(N2CCN(CCCCNC(=O)[C@H](C)C[NH3+])CC2)c1 ZINC000286133212 287943357 /nfs/dbraw/zinc/94/33/57/287943357.db2.gz OZDYLBVQGMUKCH-QGZVFWFLSA-N 1 3 332.492 1.608 20 0 EDADHO C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)Cc1ccccc1 ZINC000417596324 278200805 /nfs/dbraw/zinc/20/08/05/278200805.db2.gz ZUBWYRUHLRUEBD-VQIMIIECSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H](NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000417023360 278325281 /nfs/dbraw/zinc/32/52/81/278325281.db2.gz PGKQZESBUPECPM-JZXOWHBKSA-N 1 3 347.507 1.400 20 0 EDADHO CC(C)C[C@H](CN(C)C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417089330 279126085 /nfs/dbraw/zinc/12/60/85/279126085.db2.gz OFWLBDBVRKPAPX-HZPDHXFCSA-N 1 3 340.512 1.360 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000370619926 279198291 /nfs/dbraw/zinc/19/82/91/279198291.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 1 3 348.539 1.443 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000370619926 279198297 /nfs/dbraw/zinc/19/82/97/279198297.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 1 3 348.539 1.443 20 0 EDADHO CCN1CCN(Cc2ccccc2CN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893476 279364093 /nfs/dbraw/zinc/36/40/93/279364093.db2.gz QSJBKRYXDYCWAV-MSOLQXFVSA-N 1 3 330.520 1.912 20 0 EDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)CCC(=O)OC ZINC000290129608 288844925 /nfs/dbraw/zinc/84/49/25/288844925.db2.gz ZIZGAQVEQHZMRL-INIZCTEOSA-N 1 3 335.448 1.377 20 0 EDADHO CN(C)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829330 289283448 /nfs/dbraw/zinc/28/34/48/289283448.db2.gz FSLQJKOFUWFDSM-ZWKOTPCHSA-N 1 3 332.492 1.848 20 0 EDADHO CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1(C)C ZINC000664280784 452961772 /nfs/dbraw/zinc/96/17/72/452961772.db2.gz IOMKIVAOHTYPMJ-HDMKZQKVSA-N 1 3 342.528 1.761 20 0 EDADHO CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1(C)C ZINC000664280784 452961779 /nfs/dbraw/zinc/96/17/79/452961779.db2.gz IOMKIVAOHTYPMJ-HDMKZQKVSA-N 1 3 342.528 1.761 20 0 EDADHO CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418764732 294610520 /nfs/dbraw/zinc/61/05/20/294610520.db2.gz JLQAFNJYQQKLRD-ULQDDVLXSA-N 1 3 338.496 1.413 20 0 EDADHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000344039051 295225302 /nfs/dbraw/zinc/22/53/02/295225302.db2.gz AVJRVTUSPUPULA-FGTMMUONSA-N 1 3 347.459 1.026 20 0 EDADHO C[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C)CN1 ZINC000417742154 300141395 /nfs/dbraw/zinc/14/13/95/300141395.db2.gz VTKGBRJFDCIPPX-GJZGRUSLSA-N 1 3 330.476 1.477 20 0 EDADHO C[C@H]1CN(CC2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000191472728 300252224 /nfs/dbraw/zinc/25/22/24/300252224.db2.gz ZXALOLFVUNEJKE-BZSNNMDCSA-N 1 3 339.524 1.528 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000414750634 447320633 /nfs/dbraw/zinc/32/06/33/447320633.db2.gz MFHOONZMCPMJAW-OAHLLOKOSA-N 1 3 334.464 1.437 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CCN1Cc1ccccc1 ZINC000419655500 447323819 /nfs/dbraw/zinc/32/38/19/447323819.db2.gz HNLORCSEYDWSQY-HOCLYGCPSA-N 1 3 346.475 1.009 20 0 EDADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](N)c2ccccc2C)CC1 ZINC000295153024 303181182 /nfs/dbraw/zinc/18/11/82/303181182.db2.gz JTOSTNOGPGIPDL-YJBOKZPZSA-N 1 3 332.492 1.385 20 0 EDADHO CCCN[C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843654 303274598 /nfs/dbraw/zinc/27/45/98/303274598.db2.gz WARSACJDYGPOQC-CQSZACIVSA-N 1 3 333.480 1.939 20 0 EDADHO COC[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020581 304883123 /nfs/dbraw/zinc/88/31/23/304883123.db2.gz CBBHELGXBMYXHO-NHYWBVRUSA-N 1 3 343.830 1.928 20 0 EDADHO C[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000423972011 304921663 /nfs/dbraw/zinc/92/16/63/304921663.db2.gz HOAYPHVPIFPTIZ-AEFFLSMTSA-N 1 3 330.476 1.394 20 0 EDADHO C[C@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000423972016 304921759 /nfs/dbraw/zinc/92/17/59/304921759.db2.gz HOAYPHVPIFPTIZ-WMZOPIPTSA-N 1 3 330.476 1.394 20 0 EDADHO CN1CC[C@@]2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023155 /nfs/dbraw/zinc/02/31/55/305023155.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 1 3 329.444 1.403 20 0 EDADHO CN1CC[C@@]2(CC[N@@H+](CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023156 /nfs/dbraw/zinc/02/31/56/305023156.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 1 3 329.444 1.403 20 0 EDADHO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430606476 305058414 /nfs/dbraw/zinc/05/84/14/305058414.db2.gz VWVBWXOLLDQKNE-AWEZNQCLSA-N 1 3 346.406 1.768 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430757374 305064171 /nfs/dbraw/zinc/06/41/71/305064171.db2.gz FUSKKFMQDZIXLR-IYBDPMFKSA-N 1 3 345.487 1.769 20 0 EDADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)COC3CNC3)cc2)C1 ZINC000430757374 305064172 /nfs/dbraw/zinc/06/41/72/305064172.db2.gz FUSKKFMQDZIXLR-IYBDPMFKSA-N 1 3 345.487 1.769 20 0 EDADHO CC(C)(C[NH3+])C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000431003374 305072500 /nfs/dbraw/zinc/07/25/00/305072500.db2.gz GAZFHMNTWBSLHD-UHFFFAOYSA-N 1 3 346.519 1.686 20 0 EDADHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433401359 305108100 /nfs/dbraw/zinc/10/81/00/305108100.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 1 3 340.512 1.515 20 0 EDADHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCN2CCCO[C@H](C)C2)C1 ZINC000433401359 305108101 /nfs/dbraw/zinc/10/81/01/305108101.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 1 3 340.512 1.515 20 0 EDADHO CCCN(C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435576933 305142830 /nfs/dbraw/zinc/14/28/30/305142830.db2.gz XSDIHLYSQUBHQT-CQSZACIVSA-N 1 3 336.505 1.956 20 0 EDADHO CCc1cccc(OCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436049638 305151377 /nfs/dbraw/zinc/15/13/77/305151377.db2.gz LZBGIFUOQMABPB-QGZVFWFLSA-N 1 3 333.476 1.947 20 0 EDADHO C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CN(C)CCN2C)CC1 ZINC000449144125 305307758 /nfs/dbraw/zinc/30/77/58/305307758.db2.gz YICGQWYYGZZXLJ-WIYYLYMNSA-N 1 3 344.547 1.917 20 0 EDADHO C[C@H](Cc1ccccc1)N1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000449144125 305307759 /nfs/dbraw/zinc/30/77/59/305307759.db2.gz YICGQWYYGZZXLJ-WIYYLYMNSA-N 1 3 344.547 1.917 20 0 EDADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000449604767 305315190 /nfs/dbraw/zinc/31/51/90/305315190.db2.gz UQUDASVOWNMWGG-INIZCTEOSA-N 1 3 332.492 1.833 20 0 EDADHO C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCN1CCCO ZINC000452346231 305390868 /nfs/dbraw/zinc/39/08/68/305390868.db2.gz GOQONOMILHNVCZ-INIZCTEOSA-N 1 3 349.475 1.204 20 0 EDADHO C[C@H](CCc1cccn1C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524789445 305819971 /nfs/dbraw/zinc/81/99/71/305819971.db2.gz DZJMLNIBXNTBST-MRXNPFEDSA-N 1 3 337.512 1.481 20 0 EDADHO C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524903168 305821040 /nfs/dbraw/zinc/82/10/40/305821040.db2.gz CMXDFKAIXSRRNJ-SJORKVTESA-N 1 3 342.528 1.717 20 0 EDADHO C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)CN1CCN(C)CC1 ZINC000458433265 447363602 /nfs/dbraw/zinc/36/36/02/447363602.db2.gz IUPJFUJUSQDLPR-MRXNPFEDSA-N 1 3 339.528 1.044 20 0 EDADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365919 /nfs/dbraw/zinc/36/59/19/447365919.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CCCN3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365926 /nfs/dbraw/zinc/36/59/26/447365926.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 1 3 349.519 1.961 20 0 EDADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000535723471 306015036 /nfs/dbraw/zinc/01/50/36/306015036.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 1 3 348.535 1.537 20 0 EDADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CN2CCN1CCC2 ZINC000535723471 306015037 /nfs/dbraw/zinc/01/50/37/306015037.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 1 3 348.535 1.537 20 0 EDADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2C1 ZINC000538709309 306032791 /nfs/dbraw/zinc/03/27/91/306032791.db2.gz DRNCRJWJIYWNPY-IEBWSBKVSA-N 1 3 331.460 1.526 20 0 EDADHO CC[NH+](CC)CCOCCNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000544586416 306077045 /nfs/dbraw/zinc/07/70/45/306077045.db2.gz PZZDLPXYBPIYLZ-QGZVFWFLSA-N 1 3 341.496 1.104 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000557133923 306224695 /nfs/dbraw/zinc/22/46/95/306224695.db2.gz GWGJEBKWPIAMQV-BPQIPLTHSA-N 1 3 330.476 1.948 20 0 EDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414972979 447380788 /nfs/dbraw/zinc/38/07/88/447380788.db2.gz JVUAQHNBQXCEAD-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc2c(c1)CNC2 ZINC000414972979 447380793 /nfs/dbraw/zinc/38/07/93/447380793.db2.gz JVUAQHNBQXCEAD-QGZVFWFLSA-N 1 3 344.459 1.561 20 0 EDADHO O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707194 447387533 /nfs/dbraw/zinc/38/75/33/447387533.db2.gz CXOCQYWAIBNJNK-WMZOPIPTSA-N 1 3 349.450 1.532 20 0 EDADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105147272 441238757 /nfs/dbraw/zinc/23/87/57/441238757.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105147272 441238758 /nfs/dbraw/zinc/23/87/58/441238758.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 1 3 328.501 1.374 20 0 EDADHO COCCN(CCN(C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000105198252 441242259 /nfs/dbraw/zinc/24/22/59/441242259.db2.gz FOZQJXNIIPOIQS-INIZCTEOSA-N 1 3 328.501 1.326 20 0 EDADHO C[NH+](C)C1(CNC(=O)N2CCN(c3ccncc3)CC2)CCOCC1 ZINC000073236162 441303958 /nfs/dbraw/zinc/30/39/58/441303958.db2.gz REKSJCBYTZRRFD-UHFFFAOYSA-N 1 3 347.463 1.024 20 0 EDADHO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NC1CCN(C2CC2)CC1 ZINC000064508659 441381998 /nfs/dbraw/zinc/38/19/98/441381998.db2.gz GGQXUBKMUJOMDV-SFHVURJKSA-N 1 3 334.508 1.290 20 0 EDADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000074710553 441459183 /nfs/dbraw/zinc/45/91/83/441459183.db2.gz VBINGGGSAVSMNG-QGZVFWFLSA-N 1 3 340.512 1.613 20 0 EDADHO COCCN(CCN[C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000090965316 441645790 /nfs/dbraw/zinc/64/57/90/441645790.db2.gz WMDASTKCCMTSSL-CABCVRRESA-N 1 3 329.485 1.800 20 0 EDADHO COCCN(CCN[C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000090965316 441645791 /nfs/dbraw/zinc/64/57/91/441645791.db2.gz WMDASTKCCMTSSL-CABCVRRESA-N 1 3 329.485 1.800 20 0 EDADHO CCN(CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000077662687 441825039 /nfs/dbraw/zinc/82/50/39/441825039.db2.gz PWWSHKWOOLZKEY-HNNXBMFYSA-N 1 3 338.496 1.271 20 0 EDADHO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000077754333 441848826 /nfs/dbraw/zinc/84/88/26/441848826.db2.gz DUDHHHMUSMVHEO-QGZVFWFLSA-N 1 3 346.475 1.017 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000119658153 441945848 /nfs/dbraw/zinc/94/58/48/441945848.db2.gz ZUIYZWDNDMMQMU-IYBDPMFKSA-N 1 3 334.508 1.987 20 0 EDADHO O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@]1(F)CCNC1 ZINC000151141215 442012782 /nfs/dbraw/zinc/01/27/82/442012782.db2.gz JKZVEHDXUBMYTA-QGZVFWFLSA-N 1 3 335.379 1.236 20 0 EDADHO CC(=O)N(C)c1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000120225283 442031785 /nfs/dbraw/zinc/03/17/85/442031785.db2.gz CXSHDYHFMMPXBU-UHFFFAOYSA-N 1 3 349.479 1.626 20 0 EDADHO COCCNCC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000166560266 442217147 /nfs/dbraw/zinc/21/71/47/442217147.db2.gz IGVQOFTXQKVJPN-UHFFFAOYSA-N 1 3 325.497 1.724 20 0 EDADHO COCCN(C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171212086 442328768 /nfs/dbraw/zinc/32/87/68/442328768.db2.gz UORPKCFBDLFCHS-UHFFFAOYSA-N 1 3 326.485 1.082 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000131796114 442380619 /nfs/dbraw/zinc/38/06/19/442380619.db2.gz TZUTUTUQDABGGQ-UHFFFAOYSA-N 1 3 345.451 1.224 20 0 EDADHO COc1cc(CNC(=O)[C@@H]2CCCC[NH2+]2)ccc1OCCN(C)C ZINC000178720101 442462782 /nfs/dbraw/zinc/46/27/82/442462782.db2.gz WKFHOAKJYJTBLD-HNNXBMFYSA-N 1 3 335.448 1.394 20 0 EDADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000192776681 442685469 /nfs/dbraw/zinc/68/54/69/442685469.db2.gz LKHKURRZONBJCV-SFHVURJKSA-N 1 3 334.512 1.406 20 0 EDADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000192776681 442685472 /nfs/dbraw/zinc/68/54/72/442685472.db2.gz LKHKURRZONBJCV-SFHVURJKSA-N 1 3 334.512 1.406 20 0 EDADHO CCOC1CC(CNC2CC[NH+](C(C)C)CC2)(N2CCOCC2)C1 ZINC000193393659 442738872 /nfs/dbraw/zinc/73/88/72/442738872.db2.gz ILBODVNNJHRFGB-UHFFFAOYSA-N 1 3 339.524 1.719 20 0 EDADHO O[C@H](COC[C@@H]1CCCO1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080690 442711345 /nfs/dbraw/zinc/71/13/45/442711345.db2.gz YZIFIYBQROMTLG-ROUUACIJSA-N 1 3 326.481 1.351 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246726101 442808318 /nfs/dbraw/zinc/80/83/18/442808318.db2.gz XBHXEMASVKEACF-GDBMZVCRSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246726101 442808321 /nfs/dbraw/zinc/80/83/21/442808321.db2.gz XBHXEMASVKEACF-GDBMZVCRSA-N 1 3 326.485 1.079 20 0 EDADHO C[C@@H](NCC1(C[NH2+][C@@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438883 442767085 /nfs/dbraw/zinc/76/70/85/442767085.db2.gz WTMMQHPSYFMNQR-IYBDPMFKSA-N 1 3 340.508 1.812 20 0 EDADHO C[C@@H]([NH2+]CC1(CN[C@@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438883 442767087 /nfs/dbraw/zinc/76/70/87/442767087.db2.gz WTMMQHPSYFMNQR-IYBDPMFKSA-N 1 3 340.508 1.812 20 0 EDADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182830141 442832468 /nfs/dbraw/zinc/83/24/68/442832468.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000182830141 442832473 /nfs/dbraw/zinc/83/24/73/442832473.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194090066 442844508 /nfs/dbraw/zinc/84/45/08/442844508.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194090066 442844514 /nfs/dbraw/zinc/84/45/14/442844514.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@@H]1CN(C(=O)NCC2(N(C)C)Cc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000268132528 442863130 /nfs/dbraw/zinc/86/31/30/442863130.db2.gz DRQWRNXUTNMNMX-CRAIPNDOSA-N 1 3 344.503 1.677 20 0 EDADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2N2CCOCC2)CC1 ZINC000268461770 442997846 /nfs/dbraw/zinc/99/78/46/442997846.db2.gz ZNUHLIUICBSJEZ-UHFFFAOYSA-N 1 3 347.503 1.848 20 0 EDADHO C[C@@H]1CC[C@@H](CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590102 443143468 /nfs/dbraw/zinc/14/34/68/443143468.db2.gz JNKCFZHFDYJAJQ-WBVHZDCISA-N 1 3 339.524 1.970 20 0 EDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268985018 443165836 /nfs/dbraw/zinc/16/58/36/443165836.db2.gz LGFMDKWPUFQCIY-ZDUSSCGKSA-N 1 3 341.477 1.165 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000266649102 443197057 /nfs/dbraw/zinc/19/70/57/443197057.db2.gz FDXGCKHRLFYMIZ-MOPGFXCFSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000266649102 443197060 /nfs/dbraw/zinc/19/70/60/443197060.db2.gz FDXGCKHRLFYMIZ-MOPGFXCFSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC=CC2)C1 ZINC000266649102 443197062 /nfs/dbraw/zinc/19/70/62/443197062.db2.gz FDXGCKHRLFYMIZ-MOPGFXCFSA-N 1 3 340.471 1.917 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266649102 443197066 /nfs/dbraw/zinc/19/70/66/443197066.db2.gz FDXGCKHRLFYMIZ-MOPGFXCFSA-N 1 3 340.471 1.917 20 0 EDADHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000269232511 443242770 /nfs/dbraw/zinc/24/27/70/443242770.db2.gz ARJAFQKSMNEPRU-MJGOQNOKSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)ccc1CN(C)C ZINC000411554534 319183894 /nfs/dbraw/zinc/18/38/94/319183894.db2.gz TZHNORCEMFOTPI-ZDUSSCGKSA-N 1 3 334.464 1.309 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414188393 319318214 /nfs/dbraw/zinc/31/82/14/319318214.db2.gz QQKBATOEXHMFCG-CABCVRRESA-N 1 3 339.505 1.977 20 0 EDADHO CNS(=O)(=O)c1cccc([C@@H](C)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414188393 319318217 /nfs/dbraw/zinc/31/82/17/319318217.db2.gz QQKBATOEXHMFCG-CABCVRRESA-N 1 3 339.505 1.977 20 0 EDADHO C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673143 319339151 /nfs/dbraw/zinc/33/91/51/319339151.db2.gz BVBGMYUHECXYLP-CQSZACIVSA-N 1 3 339.867 1.848 20 0 EDADHO C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414673143 319339155 /nfs/dbraw/zinc/33/91/55/319339155.db2.gz BVBGMYUHECXYLP-CQSZACIVSA-N 1 3 339.867 1.848 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)NCCN2CCCC2(C)C)c1 ZINC000415294846 319360225 /nfs/dbraw/zinc/36/02/25/319360225.db2.gz KYPKMAFFPJZJDR-UHFFFAOYSA-N 1 3 332.448 1.335 20 0 EDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415736784 319368133 /nfs/dbraw/zinc/36/81/33/319368133.db2.gz FYGURLYOQJYVEV-PBHICJAKSA-N 1 3 344.459 1.559 20 0 EDADHO CC(C)[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)N(C)C ZINC000269300083 443273179 /nfs/dbraw/zinc/27/31/79/443273179.db2.gz XNPXVMUFWPLXLB-SFHVURJKSA-N 1 3 335.492 1.872 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337316 /nfs/dbraw/zinc/33/73/16/443337316.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 1 3 345.487 1.468 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337321 /nfs/dbraw/zinc/33/73/21/443337321.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 1 3 345.487 1.468 20 0 EDADHO C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](CN)C2CCCCC2)CCCC1 ZINC000418831616 319521429 /nfs/dbraw/zinc/52/14/29/319521429.db2.gz LHTQCZSLFHDESP-HNNXBMFYSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422599077 319719958 /nfs/dbraw/zinc/71/99/58/319719958.db2.gz PIHOAKMOEXQHAO-KRWDZBQOSA-N 1 3 330.476 1.697 20 0 EDADHO CN(CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000264891079 443469121 /nfs/dbraw/zinc/46/91/21/443469121.db2.gz SJMZUTOWMRKNEY-UHFFFAOYSA-N 1 3 348.491 1.563 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2ncccc2N(C)C)CC[NH2+]CC1 ZINC000423125279 319751157 /nfs/dbraw/zinc/75/11/57/319751157.db2.gz QDOJHJWXQJFIDA-CQSZACIVSA-N 1 3 334.464 1.559 20 0 EDADHO CC(C)[C@H](C[NH3+])C(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433151845 319972165 /nfs/dbraw/zinc/97/21/65/319972165.db2.gz PENFIKFPUDAXQY-INMHGKMJSA-N 1 3 325.497 1.565 20 0 EDADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433374353 319978268 /nfs/dbraw/zinc/97/82/68/319978268.db2.gz FOEDXVMDECVPTG-HNNXBMFYSA-N 1 3 342.447 1.825 20 0 EDADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000440274413 320067901 /nfs/dbraw/zinc/06/79/01/320067901.db2.gz TZFGHSSUHKGOKP-SJORKVTESA-N 1 3 325.497 1.866 20 0 EDADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCCN1C1CCCC1 ZINC000450242572 320216079 /nfs/dbraw/zinc/21/60/79/320216079.db2.gz LRYKSZLWTKLDCL-MSOLQXFVSA-N 1 3 337.508 1.747 20 0 EDADHO CN1CC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)C[C@@H]21 ZINC000454410506 320287760 /nfs/dbraw/zinc/28/77/60/320287760.db2.gz UGYWGAPXEXIKBF-AEFFLSMTSA-N 1 3 334.508 1.987 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314859 320346198 /nfs/dbraw/zinc/34/61/98/320346198.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459314859 320346199 /nfs/dbraw/zinc/34/61/99/320346199.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 1 3 339.528 1.044 20 0 EDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)[C@H]1SC ZINC000459381234 320347896 /nfs/dbraw/zinc/34/78/96/320347896.db2.gz USUKYTOZFPOZTB-BRWVUGGUSA-N 1 3 329.554 1.903 20 0 EDADHO CC(C)[C@@H](CN(C)C(=O)C[N@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000489583554 320361502 /nfs/dbraw/zinc/36/15/02/320361502.db2.gz JPURKURUSLEVHP-MRXNPFEDSA-N 1 3 342.528 1.266 20 0 EDADHO CC(C)[C@@H](CN(C)C(=O)C[N@@H+](C)C(C)C)NC(=O)CN(C)C(C)C ZINC000489583554 320361503 /nfs/dbraw/zinc/36/15/03/320361503.db2.gz JPURKURUSLEVHP-MRXNPFEDSA-N 1 3 342.528 1.266 20 0 EDADHO CC(C)[C@@H](CN(C)C(=O)CN(C)C(C)C)NC(=O)C[N@H+](C)C(C)C ZINC000489583554 320361504 /nfs/dbraw/zinc/36/15/04/320361504.db2.gz JPURKURUSLEVHP-MRXNPFEDSA-N 1 3 342.528 1.266 20 0 EDADHO CC(C)[C@@H](CN(C)C(=O)CN(C)C(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC000489583554 320361505 /nfs/dbraw/zinc/36/15/05/320361505.db2.gz JPURKURUSLEVHP-MRXNPFEDSA-N 1 3 342.528 1.266 20 0 EDADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000276424539 443702546 /nfs/dbraw/zinc/70/25/46/443702546.db2.gz LMROFNYUPKKRCQ-WMZOPIPTSA-N 1 3 347.507 1.885 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188114 321035843 /nfs/dbraw/zinc/03/58/43/321035843.db2.gz IPWQHECRZBSDRP-BPQIPLTHSA-N 1 3 330.476 1.806 20 0 EDADHO CN1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000561214898 321036390 /nfs/dbraw/zinc/03/63/90/321036390.db2.gz DYTFBIPDXUYSNN-ZWKOTPCHSA-N 1 3 341.459 1.124 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000562803794 321077168 /nfs/dbraw/zinc/07/71/68/321077168.db2.gz BNZGQJDQWLHTCF-CRAIPNDOSA-N 1 3 344.503 1.997 20 0 EDADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779338 321147346 /nfs/dbraw/zinc/14/73/46/321147346.db2.gz QFPCKAXGBSMCBT-NSHDSACASA-N 1 3 328.254 1.951 20 0 EDADHO CCC(=O)N1CC[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824355 321150319 /nfs/dbraw/zinc/15/03/19/321150319.db2.gz IZGSEXMQRCFSDT-GMBSWORKSA-N 1 3 329.444 1.843 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000564856862 321151992 /nfs/dbraw/zinc/15/19/92/321151992.db2.gz ZAQYRGJPPWZVIW-FVQBIDKESA-N 1 3 336.432 1.285 20 0 EDADHO COC(=O)c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000564856862 321151993 /nfs/dbraw/zinc/15/19/93/321151993.db2.gz ZAQYRGJPPWZVIW-FVQBIDKESA-N 1 3 336.432 1.285 20 0 EDADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000567735692 321256484 /nfs/dbraw/zinc/25/64/84/321256484.db2.gz PWOYGQDUNZMGON-HOTGVXAUSA-N 1 3 348.491 1.127 20 0 EDADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCCC[NH2+]C(C)C ZINC000568060325 321275101 /nfs/dbraw/zinc/27/51/01/321275101.db2.gz BDJWBXGIGVHPTL-INIZCTEOSA-N 1 3 340.512 1.117 20 0 EDADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1OCC[NH+](C)C ZINC000569859513 321330484 /nfs/dbraw/zinc/33/04/84/321330484.db2.gz VTSTXEKLHIWPAE-JKSUJKDBSA-N 1 3 331.460 1.936 20 0 EDADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000570030209 321334656 /nfs/dbraw/zinc/33/46/56/321334656.db2.gz YTEUQYFQZDQJNC-ROUUACIJSA-N 1 3 345.491 1.830 20 0 EDADHO CN(CCCN(C)CC(=O)NCc1ccc(F)cc1)CC[NH+](C)C ZINC000289421545 444137760 /nfs/dbraw/zinc/13/77/60/444137760.db2.gz MTQNZUOIDDTKAL-UHFFFAOYSA-N 1 3 338.471 1.257 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC000289451368 444148117 /nfs/dbraw/zinc/14/81/17/444148117.db2.gz NDVHMOBNSDEULD-YESZJQIVSA-N 1 3 334.460 1.768 20 0 EDADHO COc1ccc(C[C@H](CO)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000289451368 444148120 /nfs/dbraw/zinc/14/81/20/444148120.db2.gz NDVHMOBNSDEULD-YESZJQIVSA-N 1 3 334.460 1.768 20 0 EDADHO Cc1cccc2ncc(CN[C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)n21 ZINC000574663503 321494589 /nfs/dbraw/zinc/49/45/89/321494589.db2.gz SCABZSDQJHFFJV-APWZRJJASA-N 1 3 341.459 1.379 20 0 EDADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000289921817 444220018 /nfs/dbraw/zinc/22/00/18/444220018.db2.gz NWLRAMQPZNVMJC-CYBMUJFWSA-N 1 3 325.403 1.855 20 0 EDADHO COc1ccc2c(c1)C[C@H]([NH2+]CCCN1CCCN(C)CC1)CO2 ZINC000297787802 444334749 /nfs/dbraw/zinc/33/47/49/444334749.db2.gz PVVBYUVYKUWQGB-KRWDZBQOSA-N 1 3 333.476 1.616 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCO1 ZINC000578728911 321820236 /nfs/dbraw/zinc/82/02/36/321820236.db2.gz VOVGICJLUOAJBE-DLBZAZTESA-N 1 3 332.448 1.193 20 0 EDADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCc3c(O)cccc32)C1 ZINC000340474470 444392172 /nfs/dbraw/zinc/39/21/72/444392172.db2.gz JUDLLZBKVMATLP-RHSMWYFYSA-N 1 3 331.460 1.947 20 0 EDADHO C[C@@H]1CN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)C[C@@H]1[NH3+] ZINC000331668399 444481836 /nfs/dbraw/zinc/48/18/36/444481836.db2.gz OAEZPBPEAXHADP-PBHICJAKSA-N 1 3 330.476 1.812 20 0 EDADHO C[C@H]1C[N@H+](CCCNC[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247061 322154036 /nfs/dbraw/zinc/15/40/36/322154036.db2.gz OFAVPPFDLZBGBH-HOTGVXAUSA-N 1 3 340.439 1.656 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247061 322154038 /nfs/dbraw/zinc/15/40/38/322154038.db2.gz OFAVPPFDLZBGBH-HOTGVXAUSA-N 1 3 340.439 1.656 20 0 EDADHO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1)NC1CCN(C2CC2)CC1 ZINC000581941620 322236046 /nfs/dbraw/zinc/23/60/46/322236046.db2.gz URKQHIOOMFDMDX-MAUKXSAKSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)NC1CCN(C2CC2)CC1 ZINC000581941620 322236049 /nfs/dbraw/zinc/23/60/49/322236049.db2.gz URKQHIOOMFDMDX-MAUKXSAKSA-N 1 3 335.492 1.620 20 0 EDADHO O=C(NC[C@@H]1CNCCO1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000333558706 444680684 /nfs/dbraw/zinc/68/06/84/444680684.db2.gz QFXCJOVWHMDUNL-IRXDYDNUSA-N 1 3 338.496 1.272 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341120687 444684206 /nfs/dbraw/zinc/68/42/06/444684206.db2.gz KQPQENXAPBJWMU-HUUCEWRRSA-N 1 3 340.512 1.658 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341120687 444684211 /nfs/dbraw/zinc/68/42/11/444684211.db2.gz KQPQENXAPBJWMU-HUUCEWRRSA-N 1 3 340.512 1.658 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341284418 444761832 /nfs/dbraw/zinc/76/18/32/444761832.db2.gz JLWXJFTZWHSSNA-MRXNPFEDSA-N 1 3 325.497 1.866 20 0 EDADHO CCN1CCN(c2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000342731995 444839520 /nfs/dbraw/zinc/83/95/20/444839520.db2.gz ZHTLSTYRARESFN-HXUWFJFHSA-N 1 3 344.503 1.948 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338824297 444872533 /nfs/dbraw/zinc/87/25/33/444872533.db2.gz JLQLMCNYCAMCLH-UHFFFAOYSA-N 1 3 337.508 1.866 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCCN(C)CC2)CC1 ZINC000341566345 444897974 /nfs/dbraw/zinc/89/79/74/444897974.db2.gz QOFIGMVZQLUGNN-UHFFFAOYSA-N 1 3 326.485 1.223 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000343090103 445054173 /nfs/dbraw/zinc/05/41/73/445054173.db2.gz GZGFMWJLWLYJBP-NXHRZFHOSA-N 1 3 330.476 1.560 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000343090103 445054178 /nfs/dbraw/zinc/05/41/78/445054178.db2.gz GZGFMWJLWLYJBP-NXHRZFHOSA-N 1 3 330.476 1.560 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000343157054 445102792 /nfs/dbraw/zinc/10/27/92/445102792.db2.gz HXXALQQGNNYYMA-BZUAXINKSA-N 1 3 340.512 1.070 20 0 EDADHO O=C([C@H]1CN2CCN1CCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000343270874 445170884 /nfs/dbraw/zinc/17/08/84/445170884.db2.gz ARVKOVPCXQWPDB-RBUKOAKNSA-N 1 3 348.535 1.491 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000343471185 445229148 /nfs/dbraw/zinc/22/91/48/445229148.db2.gz FDMQPKLCIHVOCF-FUHWJXTLSA-N 1 3 345.491 1.098 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000347193155 445233972 /nfs/dbraw/zinc/23/39/72/445233972.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 1 3 337.508 1.556 20 0 EDADHO C[C@@H](CO)N1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000347193155 445233975 /nfs/dbraw/zinc/23/39/75/445233975.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 1 3 337.508 1.556 20 0 EDADHO CO[C@@H]1C[C@H](CN2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122299 445280161 /nfs/dbraw/zinc/28/01/61/445280161.db2.gz DBPOTILIFYTJDD-HZPDHXFCSA-N 1 3 338.496 1.365 20 0 EDADHO CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357072265 445408520 /nfs/dbraw/zinc/40/85/20/445408520.db2.gz KLRLGIHKNGQIBS-LBPRGKRZSA-N 1 3 325.375 1.085 20 0 EDADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000362494369 445410871 /nfs/dbraw/zinc/41/08/71/445410871.db2.gz KFNOUFDQEOEGDW-WBVHZDCISA-N 1 3 342.553 1.701 20 0 EDADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000362494369 445410876 /nfs/dbraw/zinc/41/08/76/445410876.db2.gz KFNOUFDQEOEGDW-WBVHZDCISA-N 1 3 342.553 1.701 20 0 EDADHO COc1ccc([C@H](CNC(=O)CCOC2C[NH2+]C2)N2CCCC2)cc1 ZINC000348954584 445453411 /nfs/dbraw/zinc/45/34/11/445453411.db2.gz FWSJZGAVMMBITK-SFHVURJKSA-N 1 3 347.459 1.327 20 0 EDADHO CN1CCC[C@@H](CNC(=O)CCOC2C[NH2+]C2)[C@H]1c1cccs1 ZINC000348990750 445467474 /nfs/dbraw/zinc/46/74/74/445467474.db2.gz FUDKXGOKSAXPGI-GUYCJALGSA-N 1 3 337.489 1.626 20 0 EDADHO CCC[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704501 445509488 /nfs/dbraw/zinc/50/94/88/445509488.db2.gz JPPIPASNCIDROF-UAGQMJEPSA-N 1 3 335.496 1.650 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000357236525 445498716 /nfs/dbraw/zinc/49/87/16/445498716.db2.gz FLGDEGXEJVOXOV-DYVFJYSZSA-N 1 3 325.416 1.103 20 0 EDADHO CCCN1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948871 445501154 /nfs/dbraw/zinc/50/11/54/445501154.db2.gz IHIWUOAKBDBOIX-SJORKVTESA-N 1 3 325.497 1.770 20 0 EDADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000360134296 445586952 /nfs/dbraw/zinc/58/69/52/445586952.db2.gz GCBQPPVUZKDUAF-MRXNPFEDSA-N 1 3 335.496 1.884 20 0 EDADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000360134296 445586954 /nfs/dbraw/zinc/58/69/54/445586954.db2.gz GCBQPPVUZKDUAF-MRXNPFEDSA-N 1 3 335.496 1.884 20 0 EDADHO C[NH+]1CCC(CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000356126043 445635228 /nfs/dbraw/zinc/63/52/28/445635228.db2.gz RQFPVHYHKSKOJL-SFHVURJKSA-N 1 3 330.476 1.902 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001441 445645397 /nfs/dbraw/zinc/64/53/97/445645397.db2.gz NNQFPVJDQRRVFG-YJBOKZPZSA-N 1 3 330.476 1.954 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000363001441 445645403 /nfs/dbraw/zinc/64/54/03/445645403.db2.gz NNQFPVJDQRRVFG-YJBOKZPZSA-N 1 3 330.476 1.954 20 0 EDADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000353645040 445691373 /nfs/dbraw/zinc/69/13/73/445691373.db2.gz AUXSZIINAUDRER-ABHNRTSZSA-N 1 3 333.476 1.169 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000358698556 445724832 /nfs/dbraw/zinc/72/48/32/445724832.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 1 3 326.485 1.007 20 0 EDADHO CN1CC[C@](O)(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000358698556 445724838 /nfs/dbraw/zinc/72/48/38/445724838.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 1 3 326.485 1.007 20 0 EDADHO NC[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000358738569 445751449 /nfs/dbraw/zinc/75/14/49/445751449.db2.gz BKIWFRKFUOOIMU-QGZVFWFLSA-N 1 3 330.407 1.559 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000361710100 445891620 /nfs/dbraw/zinc/89/16/20/445891620.db2.gz CYJRCJJITSWFKP-IBGZPJMESA-N 1 3 348.466 1.407 20 0 EDADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359028389 445897098 /nfs/dbraw/zinc/89/70/98/445897098.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 1 3 328.501 1.515 20 0 EDADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000359028389 445897101 /nfs/dbraw/zinc/89/71/01/445897101.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 1 3 328.501 1.515 20 0 EDADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359060739 445918915 /nfs/dbraw/zinc/91/89/15/445918915.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 1 3 342.528 1.907 20 0 EDADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCCCN1CCCO[C@H](C)C1 ZINC000359060739 445918920 /nfs/dbraw/zinc/91/89/20/445918920.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 1 3 342.528 1.907 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(CCN2CCCCC2)c1 ZINC000364875587 445963794 /nfs/dbraw/zinc/96/37/94/445963794.db2.gz AHDXOSGYVOYUHW-RDJZCZTQSA-N 1 3 333.480 1.711 20 0 EDADHO CN(CCNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000369245626 446017665 /nfs/dbraw/zinc/01/76/65/446017665.db2.gz ZGINCONHSKIMAF-UHFFFAOYSA-N 1 3 338.496 1.365 20 0 EDADHO COc1ccccc1NC(=O)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000583321784 326050351 /nfs/dbraw/zinc/05/03/51/326050351.db2.gz DYILJXIVOWGROR-UHFFFAOYSA-N 1 3 346.475 1.251 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000583748046 326132033 /nfs/dbraw/zinc/13/20/33/326132033.db2.gz OKEZNHCEYGPORS-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000583748046 326132037 /nfs/dbraw/zinc/13/20/37/326132037.db2.gz OKEZNHCEYGPORS-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000583748046 326132038 /nfs/dbraw/zinc/13/20/38/326132038.db2.gz OKEZNHCEYGPORS-MAUKXSAKSA-N 1 3 332.444 1.703 20 0 EDADHO CCN(CC)[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1 ZINC000583858969 326153064 /nfs/dbraw/zinc/15/30/64/326153064.db2.gz KZRGHERHUSTHSJ-PMACEKPBSA-N 1 3 348.535 1.267 20 0 EDADHO CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](CN)C1 ZINC000583860147 326153806 /nfs/dbraw/zinc/15/38/06/326153806.db2.gz PBKWLEKTQZPUGE-RDJZCZTQSA-N 1 3 331.464 1.342 20 0 EDADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC(=O)N2CCNCC2)CC1 ZINC000584225995 326223684 /nfs/dbraw/zinc/22/36/84/326223684.db2.gz WCOBCGQSTKYVSA-KRWDZBQOSA-N 1 3 344.503 1.103 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000369345433 446088669 /nfs/dbraw/zinc/08/86/69/446088669.db2.gz LAUVRODFUSKEPF-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO CN(C)Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000369345433 446088675 /nfs/dbraw/zinc/08/86/75/446088675.db2.gz LAUVRODFUSKEPF-LJQANCHMSA-N 1 3 344.503 1.600 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000373262524 446131809 /nfs/dbraw/zinc/13/18/09/446131809.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000373262524 446131814 /nfs/dbraw/zinc/13/18/14/446131814.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 1 3 338.496 1.364 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000369654232 446140499 /nfs/dbraw/zinc/14/04/99/446140499.db2.gz KRBVPULYFIJLGX-GOEBONIOSA-N 1 3 348.495 2.096 20 0 EDADHO CC(C)c1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)nc(N(C)C)n1 ZINC000351588613 446187044 /nfs/dbraw/zinc/18/70/44/446187044.db2.gz WSBQEHPVFFYIRX-HNNXBMFYSA-N 1 3 334.512 2.104 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366407060 446197787 /nfs/dbraw/zinc/19/77/87/446197787.db2.gz DDKCXCZVUCNGHM-LSDHHAIUSA-N 1 3 329.448 1.304 20 0 EDADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000366407060 446197791 /nfs/dbraw/zinc/19/77/91/446197791.db2.gz DDKCXCZVUCNGHM-LSDHHAIUSA-N 1 3 329.448 1.304 20 0 EDADHO COC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCOCC1 ZINC000365479694 446226517 /nfs/dbraw/zinc/22/65/17/446226517.db2.gz VZPBJTSKZRODRN-UHFFFAOYSA-N 1 3 339.524 1.532 20 0 EDADHO CN(c1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCN(C)CC1 ZINC000359463220 446237697 /nfs/dbraw/zinc/23/76/97/446237697.db2.gz ZAEHIWJBYADHQA-QZTJIDSGSA-N 1 3 328.504 1.868 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558993 446253896 /nfs/dbraw/zinc/25/38/96/446253896.db2.gz UQEOVJJYIRRLEJ-HIFRSBDPSA-N 1 3 340.431 1.743 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)[nH]1 ZINC000365558993 446253902 /nfs/dbraw/zinc/25/39/02/446253902.db2.gz UQEOVJJYIRRLEJ-HIFRSBDPSA-N 1 3 340.431 1.743 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1OCCN(C)C ZINC000417370167 446350855 /nfs/dbraw/zinc/35/08/55/446350855.db2.gz TVXJEXDHLDFXLJ-HOCLYGCPSA-N 1 3 334.464 1.567 20 0 EDADHO CCOC(=O)C1([C@H](C)N[C@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117162 446429291 /nfs/dbraw/zinc/42/92/91/446429291.db2.gz UCHOTDXBVNUKRG-ZFWWWQNUSA-N 1 3 334.464 1.709 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000420252956 446433965 /nfs/dbraw/zinc/43/39/65/446433965.db2.gz CMXLTOULWDCONL-CQSZACIVSA-N 1 3 347.511 1.762 20 0 EDADHO O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000370788033 446442651 /nfs/dbraw/zinc/44/26/51/446442651.db2.gz POVWBCQZXXUNAL-DLBZAZTESA-N 1 3 348.516 1.505 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736486 446409397 /nfs/dbraw/zinc/40/93/97/446409397.db2.gz DGSWCEBQQNGBLN-IRXDYDNUSA-N 1 3 344.459 1.430 20 0 EDADHO CN(C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000370736486 446409399 /nfs/dbraw/zinc/40/93/99/446409399.db2.gz DGSWCEBQQNGBLN-IRXDYDNUSA-N 1 3 344.459 1.430 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418009183 446414591 /nfs/dbraw/zinc/41/45/91/446414591.db2.gz HVSHWWFTDDHKKI-SPUZQDLCSA-N 1 3 330.476 1.934 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000418017736 446417638 /nfs/dbraw/zinc/41/76/38/446417638.db2.gz TVYSPNDWFFMMDI-NVXWUHKLSA-N 1 3 334.464 1.042 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017819 446417654 /nfs/dbraw/zinc/41/76/54/446417654.db2.gz UDTSIONBESNKNB-RANZSIQMSA-N 1 3 328.460 1.510 20 0 EDADHO CCc1ccc([C@@H](CNC(=O)[C@]2(COC)CC[NH2+]C2)N(C)C)cc1 ZINC000423307442 446481365 /nfs/dbraw/zinc/48/13/65/446481365.db2.gz NEHSGTAUCMMPJK-IEBWSBKVSA-N 1 3 333.476 1.594 20 0 EDADHO COCCN(CCOc1ccc(F)cc1)CCN1CC[NH2+]CC1 ZINC000420304446 446468553 /nfs/dbraw/zinc/46/85/53/446468553.db2.gz OMEPXSDDISUPME-UHFFFAOYSA-N 1 3 325.428 1.058 20 0 EDADHO COc1ccc([C@H](CN)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309679 446474212 /nfs/dbraw/zinc/47/42/12/446474212.db2.gz FALDSEMPWLKSEI-RTBURBONSA-N 1 3 347.503 1.924 20 0 EDADHO COc1ccc([C@H](CN)C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309679 446474219 /nfs/dbraw/zinc/47/42/19/446474219.db2.gz FALDSEMPWLKSEI-RTBURBONSA-N 1 3 347.503 1.924 20 0 EDADHO [NH3+]CCCCN[C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423315038 446484615 /nfs/dbraw/zinc/48/46/15/446484615.db2.gz AGPBMFBJMQAORD-GFCCVEGCSA-N 1 3 347.278 1.996 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418358685 446512936 /nfs/dbraw/zinc/51/29/36/446512936.db2.gz DRPSZADFVVHDLF-HZPDHXFCSA-N 1 3 326.485 1.128 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)[NH3+] ZINC000423354781 446497991 /nfs/dbraw/zinc/49/79/91/446497991.db2.gz GXLLJYPNWAYNJI-KYHPRHEASA-N 1 3 339.524 1.954 20 0 EDADHO COc1ccccc1[C@@H](C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329048 446498122 /nfs/dbraw/zinc/49/81/22/446498122.db2.gz FZDXQGDBBNNPJP-OAGGEKHMSA-N 1 3 331.460 1.804 20 0 EDADHO CCC[NH2+]CCNC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000418482182 446559132 /nfs/dbraw/zinc/55/91/32/446559132.db2.gz VHHBUCLYCGPSLA-UHFFFAOYSA-N 1 3 347.507 1.730 20 0 EDADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492173 446563296 /nfs/dbraw/zinc/56/32/96/446563296.db2.gz PECUETOKIGNVPL-DOTOQJQBSA-N 1 3 333.480 1.672 20 0 EDADHO COCC[NH2+]CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418499433 446566076 /nfs/dbraw/zinc/56/60/76/446566076.db2.gz OCEYGSMJIXDYTJ-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423404855 446520145 /nfs/dbraw/zinc/52/01/45/446520145.db2.gz ZJNFOCCFIQQEET-UXLLHSPISA-N 1 3 333.480 1.800 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H](N(C)Cc2ccccn2)CC1 ZINC000418392341 446525900 /nfs/dbraw/zinc/52/59/00/446525900.db2.gz PYIMQRBQWLPHER-WMZOPIPTSA-N 1 3 347.507 1.933 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423420402 446526378 /nfs/dbraw/zinc/52/63/78/446526378.db2.gz WVZDOFQDLMLJHG-MRXNPFEDSA-N 1 3 340.512 1.025 20 0 EDADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000418394302 446526418 /nfs/dbraw/zinc/52/64/18/446526418.db2.gz ZEEOZIFSBSXFNC-IEBWSBKVSA-N 1 3 348.491 1.248 20 0 EDADHO CN1CCN(C(=O)CCCN2CCC([NH3+])CC2)C2(CCCCC2)C1 ZINC000433152257 446539172 /nfs/dbraw/zinc/53/91/72/446539172.db2.gz QVBSOHBYVYFBSD-UHFFFAOYSA-N 1 3 336.524 1.667 20 0 EDADHO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1CCOCC[NH3+] ZINC000420368682 446546283 /nfs/dbraw/zinc/54/62/83/446546283.db2.gz IDEMEIHOCKYGES-LPHOPBHVSA-N 1 3 334.508 1.898 20 0 EDADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000453198625 446550755 /nfs/dbraw/zinc/55/07/55/446550755.db2.gz QCSFBKUYMPVZLJ-KXBFYZLASA-N 1 3 326.444 1.764 20 0 EDADHO COCCN(C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376632369 446617730 /nfs/dbraw/zinc/61/77/30/446617730.db2.gz MCJILUOEWDVIMQ-HZPDHXFCSA-N 1 3 326.485 1.223 20 0 EDADHO CC[C@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000418727543 446656583 /nfs/dbraw/zinc/65/65/83/446656583.db2.gz MJODCJVMUGJYMD-WMZOPIPTSA-N 1 3 334.464 1.002 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423748813 446677823 /nfs/dbraw/zinc/67/78/23/446677823.db2.gz QUPINTKZKBRARG-KFWWJZLASA-N 1 3 327.469 1.236 20 0 EDADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN2CCC1CC2 ZINC000376644091 446624528 /nfs/dbraw/zinc/62/45/28/446624528.db2.gz ZLXFULBILNZMGD-KRWDZBQOSA-N 1 3 330.476 1.649 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767226 446695057 /nfs/dbraw/zinc/69/50/57/446695057.db2.gz ABCJWHSWKOJRFI-GWFLUQINSA-N 1 3 345.487 1.910 20 0 EDADHO COCCNCC(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000423888098 446745624 /nfs/dbraw/zinc/74/56/24/446745624.db2.gz HEJJQDPISBHQCL-QGZVFWFLSA-N 1 3 335.448 1.184 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CNCCO2)C[N@@H+]1Cc1ccccc1 ZINC000423894975 446748483 /nfs/dbraw/zinc/74/84/83/446748483.db2.gz FFANANOXGZCZIA-NEWSRXKRSA-N 1 3 345.487 1.782 20 0 EDADHO C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CNCCO2)C[N@H+]1Cc1ccccc1 ZINC000423894975 446748489 /nfs/dbraw/zinc/74/84/89/446748489.db2.gz FFANANOXGZCZIA-NEWSRXKRSA-N 1 3 345.487 1.782 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894336 446779173 /nfs/dbraw/zinc/77/91/73/446779173.db2.gz BAFDQFZNMGKGLT-HNNXBMFYSA-N 1 3 340.512 1.247 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423951793 446795203 /nfs/dbraw/zinc/79/52/03/446795203.db2.gz PBNDKMDTDJZJJS-IBGZPJMESA-N 1 3 344.503 1.785 20 0 EDADHO CN(CC(=O)NCCC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426474 446849160 /nfs/dbraw/zinc/84/91/60/446849160.db2.gz XRDSLWVXBRKBOA-QGZVFWFLSA-N 1 3 338.540 1.639 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000418995745 446854681 /nfs/dbraw/zinc/85/46/81/446854681.db2.gz MPTOVNKVUAMZCL-UHFFFAOYSA-N 1 3 346.475 1.142 20 0 EDADHO Cc1cc(CN)cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000424439930 446871285 /nfs/dbraw/zinc/87/12/85/446871285.db2.gz PERQLJDMFDSUKU-UHFFFAOYSA-N 1 3 346.475 1.775 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457981 446875972 /nfs/dbraw/zinc/87/59/72/446875972.db2.gz SFYKDHXAVNWLAZ-KRWDZBQOSA-N 1 3 346.475 1.773 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)c1 ZINC000424458642 446876535 /nfs/dbraw/zinc/87/65/35/446876535.db2.gz UOILXCLOYZFUFJ-ZFWWWQNUSA-N 1 3 346.475 1.629 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610687 446915461 /nfs/dbraw/zinc/91/54/61/446915461.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H]1C[C@H](N(C)C(=O)NCCN2CCN(C)C(C)(C)C2)CC[N@H+]1C ZINC000442610687 446915463 /nfs/dbraw/zinc/91/54/63/446915463.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 1 3 339.528 1.137 20 0 EDADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419100469 446924541 /nfs/dbraw/zinc/92/45/41/446924541.db2.gz BUXUKROWORKHMY-HYVNUMGLSA-N 1 3 346.475 1.009 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000419105932 446926625 /nfs/dbraw/zinc/92/66/25/446926625.db2.gz IZQUJNVGPRBKGD-OAHLLOKOSA-N 1 3 348.491 1.257 20 0 EDADHO CSCC[C@H](N)C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371564071 446932941 /nfs/dbraw/zinc/93/29/41/446932941.db2.gz QCKRACVSXKHHJL-ZFWWWQNUSA-N 1 3 325.522 1.790 20 0 EDADHO CSCC[C@H](N)C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371564071 446932947 /nfs/dbraw/zinc/93/29/47/446932947.db2.gz QCKRACVSXKHHJL-ZFWWWQNUSA-N 1 3 325.522 1.790 20 0 EDADHO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419229104 447019962 /nfs/dbraw/zinc/01/99/62/447019962.db2.gz NPPXFGZKMBONNE-HZPDHXFCSA-N 1 3 338.496 1.001 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000421012561 446986334 /nfs/dbraw/zinc/98/63/34/446986334.db2.gz UCYONSCULCYPEY-QZTJIDSGSA-N 1 3 332.492 1.432 20 0 EDADHO CN(C)[C@H](CNC(=O)CN(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421012561 446986340 /nfs/dbraw/zinc/98/63/40/446986340.db2.gz UCYONSCULCYPEY-QZTJIDSGSA-N 1 3 332.492 1.432 20 0 EDADHO CN1CC[C@]2(CC[N@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630321 446991669 /nfs/dbraw/zinc/99/16/69/446991669.db2.gz DLYJMAZHAVSQMO-KRWDZBQOSA-N 1 3 327.469 1.555 20 0 EDADHO CN1CC[C@]2(CC[N@@H+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630321 446991672 /nfs/dbraw/zinc/99/16/72/446991672.db2.gz DLYJMAZHAVSQMO-KRWDZBQOSA-N 1 3 327.469 1.555 20 0 EDADHO COCCOc1cccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443060883 447002346 /nfs/dbraw/zinc/00/23/46/447002346.db2.gz PXZKUBRKEDTPOV-MRXNPFEDSA-N 1 3 349.475 1.389 20 0 EDADHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027574 /nfs/dbraw/zinc/02/75/74/447027574.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 1 3 339.480 1.840 20 0 EDADHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375760152 447027575 /nfs/dbraw/zinc/02/75/75/447027575.db2.gz SKJYBFSBQJDFNF-BRWVUGGUSA-N 1 3 339.480 1.840 20 0 EDADHO CN(C[C@@H](O)COc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375829259 447085870 /nfs/dbraw/zinc/08/58/70/447085870.db2.gz FSRUGZJDPYIOFK-RBUKOAKNSA-N 1 3 347.503 1.527 20 0 EDADHO CN(C[C@@H](O)COc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000375829259 447085876 /nfs/dbraw/zinc/08/58/76/447085876.db2.gz FSRUGZJDPYIOFK-RBUKOAKNSA-N 1 3 347.503 1.527 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000372499776 447091618 /nfs/dbraw/zinc/09/16/18/447091618.db2.gz ALOHOSRJHUFHPP-LUPIEILUSA-N 1 3 342.487 1.923 20 0 EDADHO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000415470115 447461984 /nfs/dbraw/zinc/46/19/84/447461984.db2.gz NKJWKTGTEHQTKV-KRWDZBQOSA-N 1 3 344.459 1.561 20 0 EDADHO CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388586517 447480149 /nfs/dbraw/zinc/48/01/49/447480149.db2.gz HAWLMZQZZJWPLK-KRWDZBQOSA-N 1 3 331.460 1.488 20 0 EDADHO C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940329 447506857 /nfs/dbraw/zinc/50/68/57/447506857.db2.gz QFTFPAGUOUXYCK-UYAOXDASSA-N 1 3 345.487 1.783 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000419966316 447518345 /nfs/dbraw/zinc/51/83/45/447518345.db2.gz YHIQPRUESWCBDP-MRXNPFEDSA-N 1 3 340.512 1.056 20 0 EDADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210142 447539194 /nfs/dbraw/zinc/53/91/94/447539194.db2.gz OMVKUHRKLPCYDT-IEBWSBKVSA-N 1 3 346.519 1.822 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264798 447571907 /nfs/dbraw/zinc/57/19/07/447571907.db2.gz IZMHUVXNOFWEMB-JKSUJKDBSA-N 1 3 344.459 1.322 20 0 EDADHO CC[N@H+](C)C[C@H](O)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404200371 447597006 /nfs/dbraw/zinc/59/70/06/447597006.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 1 3 347.503 1.274 20 0 EDADHO CC[N@@H+](C)C[C@H](O)CN1CCO[C@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000404200371 447597013 /nfs/dbraw/zinc/59/70/13/447597013.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 1 3 347.503 1.274 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459173742 447604977 /nfs/dbraw/zinc/60/49/77/447604977.db2.gz ZPIFDRQECUHJRY-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO CC1CCN(C[C@H](O)CNC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000459173742 447604980 /nfs/dbraw/zinc/60/49/80/447604980.db2.gz ZPIFDRQECUHJRY-QGZVFWFLSA-N 1 3 340.512 1.253 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000416813388 447691517 /nfs/dbraw/zinc/69/15/17/447691517.db2.gz FDSITOTZZLIKHK-MAUKXSAKSA-N 1 3 348.491 1.987 20 0 EDADHO CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2N)s1 ZINC000422714141 447725053 /nfs/dbraw/zinc/72/50/53/447725053.db2.gz KRFTXADGVFFLGV-UONOGXRCSA-N 1 3 345.534 1.791 20 0 EDADHO CC(C)(C)NC(=O)CN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422839969 447765571 /nfs/dbraw/zinc/76/55/71/447765571.db2.gz RPZSBIWTTOMIOL-IAGOWNOFSA-N 1 3 338.540 1.720 20 0 EDADHO CCOC(=O)C1([C@@H](C)NCc2cccn(CC)c2=O)CC[NH2+]CC1 ZINC000423083826 447801551 /nfs/dbraw/zinc/80/15/51/447801551.db2.gz HCXFQCWJZCIULO-CQSZACIVSA-N 1 3 335.448 1.279 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573871 447918115 /nfs/dbraw/zinc/91/81/15/447918115.db2.gz XVHNBGJVRUSTBL-YLJYHZDGSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530573871 447918124 /nfs/dbraw/zinc/91/81/24/447918124.db2.gz XVHNBGJVRUSTBL-YLJYHZDGSA-N 1 3 345.487 1.472 20 0 EDADHO CC[C@H](N)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497179152 447927499 /nfs/dbraw/zinc/92/74/99/447927499.db2.gz PEELLHUHQIQKEC-HYVNUMGLSA-N 1 3 335.448 1.739 20 0 EDADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000570051402 447938555 /nfs/dbraw/zinc/93/85/55/447938555.db2.gz SBCBLXUZWJECFG-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000576183018 447993500 /nfs/dbraw/zinc/99/35/00/447993500.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 1 3 341.540 1.512 20 0 EDADHO COCCN(C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000576183018 447993503 /nfs/dbraw/zinc/99/35/03/447993503.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 1 3 341.540 1.512 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576289336 448019814 /nfs/dbraw/zinc/01/98/14/448019814.db2.gz ANDQKENJLBJFIJ-UHFFFAOYSA-N 1 3 344.463 1.044 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C ZINC000491447350 448030628 /nfs/dbraw/zinc/03/06/28/448030628.db2.gz OIPZEBMOGARSOJ-KBPBESRZSA-N 1 3 334.468 1.754 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531292562 448054092 /nfs/dbraw/zinc/05/40/92/448054092.db2.gz UFPTYBXXAOLABG-APWZRJJASA-N 1 3 333.476 1.470 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000531292562 448054096 /nfs/dbraw/zinc/05/40/96/448054096.db2.gz UFPTYBXXAOLABG-APWZRJJASA-N 1 3 333.476 1.470 20 0 EDADHO C[C@H]1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531297371 448056362 /nfs/dbraw/zinc/05/63/62/448056362.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H]1CCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000531297371 448056365 /nfs/dbraw/zinc/05/63/65/448056365.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CCN(C)CC1 ZINC000576647852 448106344 /nfs/dbraw/zinc/10/63/44/448106344.db2.gz HFNINJUCKZDYSP-YOEHRIQHSA-N 1 3 337.533 1.971 20 0 EDADHO OC1(C(F)(F)F)CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000571396697 448145175 /nfs/dbraw/zinc/14/51/75/448145175.db2.gz LAZOQXIWRZARIS-UHFFFAOYSA-N 1 3 347.385 1.597 20 0 EDADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000571679572 448189799 /nfs/dbraw/zinc/18/97/99/448189799.db2.gz NGBVGIMDJBHYFS-CABCVRRESA-N 1 3 338.402 1.407 20 0 EDADHO CN1CCN(CCCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000577368009 448277697 /nfs/dbraw/zinc/27/76/97/448277697.db2.gz HDCZNDHRXDXDLB-UYAOXDASSA-N 1 3 344.503 1.481 20 0 EDADHO COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000515405067 448308014 /nfs/dbraw/zinc/30/80/14/448308014.db2.gz VZXKOHRLLRFCNP-ZWKOTPCHSA-N 1 3 345.487 1.899 20 0 EDADHO COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000515405067 448308019 /nfs/dbraw/zinc/30/80/19/448308019.db2.gz VZXKOHRLLRFCNP-ZWKOTPCHSA-N 1 3 345.487 1.899 20 0 EDADHO CCOC(=O)CCC1CC[NH+](C[C@@H]2CCCN(C(=O)CN)C2)CC1 ZINC000591272414 448302922 /nfs/dbraw/zinc/30/29/22/448302922.db2.gz JNQKZWOBVFAWII-INIZCTEOSA-N 1 3 339.480 1.239 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)CNCC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000572394507 448367503 /nfs/dbraw/zinc/36/75/03/448367503.db2.gz FKLVIJUHCFVKJK-BBWFWOEESA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)C[C@H](C)O1 ZINC000572394507 448367507 /nfs/dbraw/zinc/36/75/07/448367507.db2.gz FKLVIJUHCFVKJK-BBWFWOEESA-N 1 3 327.513 1.168 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953925 448387144 /nfs/dbraw/zinc/38/71/44/448387144.db2.gz DYCKCEZNXNHWPV-QAPCUYQASA-N 1 3 330.476 1.948 20 0 EDADHO C[C@@H]1CCN(C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516167884 448390119 /nfs/dbraw/zinc/39/01/19/448390119.db2.gz JXCIFXIXNRESPL-ZXZQKFIBSA-N 1 3 334.508 1.876 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC000533603144 448419619 /nfs/dbraw/zinc/41/96/19/448419619.db2.gz QWEOKRJEAZUNNN-WKILWMFISA-N 1 3 340.512 1.214 20 0 EDADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC000533603144 448419624 /nfs/dbraw/zinc/41/96/24/448419624.db2.gz QWEOKRJEAZUNNN-WKILWMFISA-N 1 3 340.512 1.214 20 0 EDADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566209254 448416324 /nfs/dbraw/zinc/41/63/24/448416324.db2.gz RARJMTNACHPWND-ZDUSSCGKSA-N 1 3 331.416 1.684 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3CNCc4ccccc43)CC2)C1 ZINC000566209477 448416460 /nfs/dbraw/zinc/41/64/60/448416460.db2.gz WZXVDZRZWALBAG-NZSAHSFTSA-N 1 3 343.471 1.618 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000572880998 448489480 /nfs/dbraw/zinc/48/94/80/448489480.db2.gz XAPSBTPWLIZRNM-RRFJBIMHSA-N 1 3 348.491 1.474 20 0 EDADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566573124 448512304 /nfs/dbraw/zinc/51/23/04/448512304.db2.gz PLIFYEXBHDNKKU-KRWDZBQOSA-N 1 3 348.491 1.066 20 0 EDADHO C[C@@H]1CN(C[C@H](O)CNCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H](C)O1 ZINC000578499219 448560251 /nfs/dbraw/zinc/56/02/51/448560251.db2.gz DRSGELNWIOSSJK-HSFUPAIVSA-N 1 3 327.513 1.309 20 0 EDADHO CC[NH+]1CCC(CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000566889718 448576546 /nfs/dbraw/zinc/57/65/46/448576546.db2.gz VDSPJXCHVVXXJX-FQEVSTJZSA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566903739 448581237 /nfs/dbraw/zinc/58/12/37/448581237.db2.gz IQZPSVXMYVJKCJ-IRXDYDNUSA-N 1 3 346.475 1.378 20 0 EDADHO CC[C@@H]1CN(C)CCN1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000584824049 448643333 /nfs/dbraw/zinc/64/33/33/448643333.db2.gz LAKGIBUXMMZSNV-QGZVFWFLSA-N 1 3 339.528 1.140 20 0 EDADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000518179202 448652067 /nfs/dbraw/zinc/65/20/67/448652067.db2.gz OEONAXWHDAYHFJ-INIZCTEOSA-N 1 3 338.540 1.687 20 0 EDADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)N2CCNCC2)C1 ZINC000518179202 448652068 /nfs/dbraw/zinc/65/20/68/448652068.db2.gz OEONAXWHDAYHFJ-INIZCTEOSA-N 1 3 338.540 1.687 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000579005161 448694570 /nfs/dbraw/zinc/69/45/70/448694570.db2.gz FYWBXQXKSHECEK-FGTMMUONSA-N 1 3 331.460 1.301 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000567494279 448703080 /nfs/dbraw/zinc/70/30/80/448703080.db2.gz XHKSIVZYERYMDJ-IEBWSBKVSA-N 1 3 348.487 1.825 20 0 EDADHO O=c1c2ccccc2ncn1CCN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574324401 448845794 /nfs/dbraw/zinc/84/57/94/448845794.db2.gz LXJTUHCKLKEHKA-JKSUJKDBSA-N 1 3 326.444 1.718 20 0 EDADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592563102 448902740 /nfs/dbraw/zinc/90/27/40/448902740.db2.gz WAIDRSNZDMUSLC-SQWLQELKSA-N 1 3 331.464 1.276 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574569188 448904192 /nfs/dbraw/zinc/90/41/92/448904192.db2.gz KCTMQXSADLNDQB-KSSFIOAISA-N 1 3 328.460 1.738 20 0 EDADHO NC[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000574569188 448904198 /nfs/dbraw/zinc/90/41/98/448904198.db2.gz KCTMQXSADLNDQB-KSSFIOAISA-N 1 3 328.460 1.738 20 0 EDADHO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000574625106 448918216 /nfs/dbraw/zinc/91/82/16/448918216.db2.gz WDYUCDCKHPOOEX-KRWDZBQOSA-N 1 3 348.491 1.968 20 0 EDADHO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccnc(OCCN(C)C)c1 ZINC000574625106 448918218 /nfs/dbraw/zinc/91/82/18/448918218.db2.gz WDYUCDCKHPOOEX-KRWDZBQOSA-N 1 3 348.491 1.968 20 0 EDADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000568864121 448929743 /nfs/dbraw/zinc/92/97/43/448929743.db2.gz XVFPSPKIKHENCS-WMLDXEAASA-N 1 3 348.516 1.818 20 0 EDADHO CN(C)[C@H](C[NH2+]C[C@H](O)CN(C)C1CC1)c1ccccc1Cl ZINC000574804116 448959605 /nfs/dbraw/zinc/95/96/05/448959605.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 1 3 325.884 1.987 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000548023095 448969069 /nfs/dbraw/zinc/96/90/69/448969069.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 1 3 336.505 1.684 20 0 EDADHO Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000548023095 448969072 /nfs/dbraw/zinc/96/90/72/448969072.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 1 3 336.505 1.684 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569203148 448978073 /nfs/dbraw/zinc/97/80/73/448978073.db2.gz SALBJMNVTQDPGB-FGTMMUONSA-N 1 3 330.476 1.916 20 0 EDADHO OCCN1CCN(CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000520838167 448937945 /nfs/dbraw/zinc/93/79/45/448937945.db2.gz RSJLDAPCVVWPGF-UHFFFAOYSA-N 1 3 330.476 1.648 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522176906 449060269 /nfs/dbraw/zinc/06/02/69/449060269.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 1 3 348.491 1.378 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000522176906 449060276 /nfs/dbraw/zinc/06/02/76/449060276.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 1 3 348.491 1.378 20 0 EDADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4COCCN4)[C@H]3C2)cc1 ZINC000530227631 449088550 /nfs/dbraw/zinc/08/85/50/449088550.db2.gz UJPOSJUHEXPYQS-MUGJNUQGSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4COCCN4)[C@H]3C2)cc1 ZINC000530227631 449088557 /nfs/dbraw/zinc/08/85/57/449088557.db2.gz UJPOSJUHEXPYQS-MUGJNUQGSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@H]3C2)cc1 ZINC000530227631 449088562 /nfs/dbraw/zinc/08/85/62/449088562.db2.gz UJPOSJUHEXPYQS-MUGJNUQGSA-N 1 3 329.488 1.865 20 0 EDADHO CC(C)Nc1ncccc1C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505942 449654242 /nfs/dbraw/zinc/65/42/42/449654242.db2.gz WAMVWSXIPQPLIK-HNNXBMFYSA-N 1 3 335.496 1.904 20 0 EDADHO CC(C)Nc1ncccc1C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505942 449654245 /nfs/dbraw/zinc/65/42/45/449654245.db2.gz WAMVWSXIPQPLIK-HNNXBMFYSA-N 1 3 335.496 1.904 20 0 EDADHO CO[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000617505397 449654289 /nfs/dbraw/zinc/65/42/89/449654289.db2.gz BAAVLTCQAOYIBP-LPHOPBHVSA-N 1 3 335.492 1.936 20 0 EDADHO CO[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000617505397 449654295 /nfs/dbraw/zinc/65/42/95/449654295.db2.gz BAAVLTCQAOYIBP-LPHOPBHVSA-N 1 3 335.492 1.936 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc2nccnc21 ZINC000617507031 449654868 /nfs/dbraw/zinc/65/48/68/449654868.db2.gz FWPKSUYMEAFGMZ-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc2nccnc21 ZINC000617507031 449654876 /nfs/dbraw/zinc/65/48/76/449654876.db2.gz FWPKSUYMEAFGMZ-AWEZNQCLSA-N 1 3 329.448 1.632 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cnc2nccnc2c1 ZINC000617507064 449655461 /nfs/dbraw/zinc/65/54/61/449655461.db2.gz GWSZUEJDHHAFJR-ZDUSSCGKSA-N 1 3 330.436 1.027 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cnc2nccnc2c1 ZINC000617507064 449655468 /nfs/dbraw/zinc/65/54/68/449655468.db2.gz GWSZUEJDHHAFJR-ZDUSSCGKSA-N 1 3 330.436 1.027 20 0 EDADHO CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2(N)CCCC2)CC1 ZINC000594738066 449658215 /nfs/dbraw/zinc/65/82/15/449658215.db2.gz DPZLZNDSNUVHFR-AWEZNQCLSA-N 1 3 339.480 1.428 20 0 EDADHO CC(=O)NCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000617503245 449647591 /nfs/dbraw/zinc/64/75/91/449647591.db2.gz ASMWUJURJVBVAQ-HNNXBMFYSA-N 1 3 348.491 1.325 20 0 EDADHO CC(=O)NCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000617503245 449647594 /nfs/dbraw/zinc/64/75/94/449647594.db2.gz ASMWUJURJVBVAQ-HNNXBMFYSA-N 1 3 348.491 1.325 20 0 EDADHO CN1CCC(C[NH2+]C[C@@H]2CNc3ccnn3C2)(N2CCCCC2)CC1 ZINC000608064927 449740199 /nfs/dbraw/zinc/74/01/99/449740199.db2.gz JMMQAOOKFNOHFF-QGZVFWFLSA-N 1 3 346.523 1.465 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000617974667 449956957 /nfs/dbraw/zinc/95/69/57/449956957.db2.gz VOSBYQXGULYVPL-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)CC[N@H+]1C ZINC000617974667 449956965 /nfs/dbraw/zinc/95/69/65/449956965.db2.gz VOSBYQXGULYVPL-CRAIPNDOSA-N 1 3 330.476 1.750 20 0 EDADHO COc1cnccc1N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612990058 449973327 /nfs/dbraw/zinc/97/33/27/449973327.db2.gz NPODYHAEFQWDBH-INIZCTEOSA-N 1 3 345.447 1.064 20 0 EDADHO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCN(C)C(C)(C)C2)cc1 ZINC000623380085 450509448 /nfs/dbraw/zinc/50/94/48/450509448.db2.gz RLXWFWLJBSUDON-HNNXBMFYSA-N 1 3 339.505 1.736 20 0 EDADHO COC1CCN(CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000625942811 450539434 /nfs/dbraw/zinc/53/94/34/450539434.db2.gz DPRZMSLQPMMDKC-UHFFFAOYSA-N 1 3 348.447 1.401 20 0 EDADHO Nc1nc(NC[C@@H](c2ccccc2Cl)N2CCCC2)nc(N)[nH+]1 ZINC000623801526 450593290 /nfs/dbraw/zinc/59/32/90/450593290.db2.gz ZTQXWTIIGREPBF-LBPRGKRZSA-N 1 3 333.827 1.021 20 0 EDADHO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(N)CCOCC1 ZINC000629520933 450724129 /nfs/dbraw/zinc/72/41/29/450724129.db2.gz NBBOGLFBRMTSDJ-NSHDSACASA-N 1 3 344.253 1.097 20 0 EDADHO CCC(CC)[C@H](C[NH2+]C[C@H](O)CN1CCCC1)N1CCOCC1 ZINC000629554316 450733518 /nfs/dbraw/zinc/73/35/18/450733518.db2.gz FOOXAYLVCNFEJX-ROUUACIJSA-N 1 3 327.513 1.170 20 0 EDADHO O[C@@H](C[NH2+]CCOc1ccc(C(F)(F)F)cn1)CN1CCCC1 ZINC000629568486 450741441 /nfs/dbraw/zinc/74/14/41/450741441.db2.gz KSNDSCZQKHBFLF-ZDUSSCGKSA-N 1 3 333.354 1.526 20 0 EDADHO C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000629571512 450742271 /nfs/dbraw/zinc/74/22/71/450742271.db2.gz VNSZRSYIDUEGNE-APWZRJJASA-N 1 3 332.492 1.653 20 0 EDADHO C[N@H+](C[C@H](O)CNCCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608255 450761282 /nfs/dbraw/zinc/76/12/82/450761282.db2.gz RTXVBBGPNFBLIE-CYBMUJFWSA-N 1 3 328.359 1.595 20 0 EDADHO C[N@@H+](C[C@H](O)CNCCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC000629608255 450761287 /nfs/dbraw/zinc/76/12/87/450761287.db2.gz RTXVBBGPNFBLIE-CYBMUJFWSA-N 1 3 328.359 1.595 20 0 EDADHO C[N@@H+]1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821455 /nfs/dbraw/zinc/82/14/55/450821455.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 1 3 345.487 1.295 20 0 EDADHO C[N@H+]1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821458 /nfs/dbraw/zinc/82/14/58/450821458.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 1 3 345.487 1.295 20 0 EDADHO Cn1c2cc(CN3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828847 450801601 /nfs/dbraw/zinc/80/16/01/450801601.db2.gz AATZKNQIHPMYNQ-HDMKZQKVSA-N 1 3 345.443 1.850 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940582 450897943 /nfs/dbraw/zinc/89/79/43/450897943.db2.gz ANDRNQBXZOVOGG-JKSUJKDBSA-N 1 3 329.510 1.124 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(N2CCCCC2)ncn1 ZINC000621884095 450918564 /nfs/dbraw/zinc/91/85/64/450918564.db2.gz CRUMENZQCFYQMY-UHFFFAOYSA-N 1 3 348.495 1.032 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000631933704 450891366 /nfs/dbraw/zinc/89/13/66/450891366.db2.gz HSWJMWKPXSFEBP-INIZCTEOSA-N 1 3 329.510 1.266 20 0 EDADHO O=S(=O)(CCCN1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000632035986 450987243 /nfs/dbraw/zinc/98/72/43/450987243.db2.gz HGHFELFJXDVVCP-KRWDZBQOSA-N 1 3 343.537 1.610 20 0 EDADHO CN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941350 /nfs/dbraw/zinc/94/13/50/450941350.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 1 3 331.460 1.006 20 0 EDADHO CN(CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941355 /nfs/dbraw/zinc/94/13/55/450941355.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 1 3 331.460 1.006 20 0 EDADHO CN(CC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941359 /nfs/dbraw/zinc/94/13/59/450941359.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 1 3 331.460 1.006 20 0 EDADHO C[N@H+](CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941365 /nfs/dbraw/zinc/94/13/65/450941365.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 1 3 331.460 1.006 20 0 EDADHO C[N@@H+](CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941368 /nfs/dbraw/zinc/94/13/68/450941368.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 1 3 331.460 1.006 20 0 EDADHO CN(CCOCC[NH3+])C(=O)NCCCN1CCc2ccccc2C1 ZINC000626935062 451018009 /nfs/dbraw/zinc/01/80/09/451018009.db2.gz WMAMWCXAPFGKNJ-UHFFFAOYSA-N 1 3 334.464 1.052 20 0 EDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946544 451025050 /nfs/dbraw/zinc/02/50/50/451025050.db2.gz ROJSEFWUIIUUGF-RDJZCZTQSA-N 1 3 346.475 1.629 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635536159 451030766 /nfs/dbraw/zinc/03/07/66/451030766.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 1 3 348.535 1.632 20 0 EDADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635536159 451030773 /nfs/dbraw/zinc/03/07/73/451030773.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 1 3 348.535 1.632 20 0 EDADHO C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2OCCN(C)C)C[NH2+]1 ZINC000626956408 451033220 /nfs/dbraw/zinc/03/32/20/451033220.db2.gz NIYWGKUKJKYPIE-GOEBONIOSA-N 1 3 334.464 1.567 20 0 EDADHO C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)N(C)Cc1ccccc1 ZINC000626975099 451043976 /nfs/dbraw/zinc/04/39/76/451043976.db2.gz NSKWZQYKLBHUKA-HNNXBMFYSA-N 1 3 334.464 1.314 20 0 EDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570932 451070870 /nfs/dbraw/zinc/07/08/70/451070870.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CCN3C3CCCC3)CC2)C1 ZINC000635570932 451070874 /nfs/dbraw/zinc/07/08/74/451070874.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 1 3 334.508 1.242 20 0 EDADHO C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000627034106 451093308 /nfs/dbraw/zinc/09/33/08/451093308.db2.gz YMNSVJMEFZIHRV-DOTOQJQBSA-N 1 3 336.480 1.555 20 0 EDADHO CC(C)c1nccn1CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551304 451048180 /nfs/dbraw/zinc/04/81/80/451048180.db2.gz LAEFFSJEJMQTRU-HNNXBMFYSA-N 1 3 333.480 1.291 20 0 EDADHO CC(C)c1nccn1CC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635552881 451049658 /nfs/dbraw/zinc/04/96/58/451049658.db2.gz VECYMCCBLBZURS-QGZVFWFLSA-N 1 3 347.507 1.633 20 0 EDADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626980847 451049869 /nfs/dbraw/zinc/04/98/69/451049869.db2.gz VWYKHLNDXSALEJ-INIZCTEOSA-N 1 3 348.491 1.829 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@@H+]1C ZINC000632200915 451109978 /nfs/dbraw/zinc/10/99/78/451109978.db2.gz MVAMYGVYPCHNEP-JKSUJKDBSA-N 1 3 334.464 1.369 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)NCc2ccnc(OCCN(C)C)c2)CC[N@H+]1C ZINC000632200915 451109983 /nfs/dbraw/zinc/10/99/83/451109983.db2.gz MVAMYGVYPCHNEP-JKSUJKDBSA-N 1 3 334.464 1.369 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000627111392 451128154 /nfs/dbraw/zinc/12/81/54/451128154.db2.gz BQEQPOLGCLTXQQ-ZWKOTPCHSA-N 1 3 345.491 1.733 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635645321 451131657 /nfs/dbraw/zinc/13/16/57/451131657.db2.gz YIQLKPZWWDMZIJ-UHFFFAOYSA-N 1 3 337.508 1.868 20 0 EDADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627161328 451155999 /nfs/dbraw/zinc/15/59/99/451155999.db2.gz JRQGKBNZQUHHSN-KRWDZBQOSA-N 1 3 346.475 1.410 20 0 EDADHO C[C@@H](CN1CCC[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255195 451145720 /nfs/dbraw/zinc/14/57/20/451145720.db2.gz MIIJSRCOYLNASK-HOTGVXAUSA-N 1 3 331.526 1.512 20 0 EDADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627153732 451152187 /nfs/dbraw/zinc/15/21/87/451152187.db2.gz KOHIYKCSIFFNCC-UHFFFAOYSA-N 1 3 348.491 1.788 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@H](C)O[C@H]3C)CC2)CC1 ZINC000634024772 451160110 /nfs/dbraw/zinc/16/01/10/451160110.db2.gz BNIKITSFLYLISN-RVKKMQEKSA-N 1 3 337.508 1.865 20 0 EDADHO C[NH2+]CCOCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000627176185 451165894 /nfs/dbraw/zinc/16/58/94/451165894.db2.gz MPNOXFMUCUQMRQ-KRWDZBQOSA-N 1 3 334.464 1.138 20 0 EDADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370071 451231535 /nfs/dbraw/zinc/23/15/35/451231535.db2.gz VFRGFCRTWBMEAR-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO C[C@@H](NC(=O)c1cnn(CCN(C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000632370071 451231540 /nfs/dbraw/zinc/23/15/40/451231540.db2.gz VFRGFCRTWBMEAR-CVEARBPZSA-N 1 3 347.507 1.828 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098458 451262943 /nfs/dbraw/zinc/26/29/43/451262943.db2.gz GCEOMVCJQGUXPW-QGZVFWFLSA-N 1 3 331.460 1.102 20 0 EDADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(OCCN(C)C)cc2)C1 ZINC000638104353 451271883 /nfs/dbraw/zinc/27/18/83/451271883.db2.gz YJMRGHSRPWWURQ-MJGOQNOKSA-N 1 3 349.475 1.053 20 0 EDADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](OC)CN2)C1 ZINC000638112120 451279253 /nfs/dbraw/zinc/27/92/53/451279253.db2.gz QMJVNBWRVDTSGJ-VKJFTORMSA-N 1 3 325.497 1.770 20 0 EDADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](OC)CN2)C1 ZINC000638112120 451279259 /nfs/dbraw/zinc/27/92/59/451279259.db2.gz QMJVNBWRVDTSGJ-VKJFTORMSA-N 1 3 325.497 1.770 20 0 EDADHO CN1CCN(CCCNC(=O)CCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000638137791 451312471 /nfs/dbraw/zinc/31/24/71/451312471.db2.gz NVSNNEJBNLOSII-LJQANCHMSA-N 1 3 344.503 1.481 20 0 EDADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C1 ZINC000638154625 451326115 /nfs/dbraw/zinc/32/61/15/451326115.db2.gz CKFFQRVSUHKSEU-OCCSQVGLSA-N 1 3 345.447 1.113 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000638155551 451326145 /nfs/dbraw/zinc/32/61/45/451326145.db2.gz LGRYUVMAKBTQCL-SFHVURJKSA-N 1 3 330.476 1.950 20 0 EDADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636629660 451367406 /nfs/dbraw/zinc/36/74/06/451367406.db2.gz UVHNHSAHGAYBJN-JQHSSLGASA-N 1 3 346.475 1.188 20 0 EDADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636629660 451367410 /nfs/dbraw/zinc/36/74/10/451367410.db2.gz UVHNHSAHGAYBJN-JQHSSLGASA-N 1 3 346.475 1.188 20 0 EDADHO COc1cccc(C[C@H](N)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000638277263 451396579 /nfs/dbraw/zinc/39/65/79/451396579.db2.gz SRWDMJQJQGOSQH-ROUUACIJSA-N 1 3 349.475 1.134 20 0 EDADHO O=C(CCC1C[NH2+]C1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000638302881 451417269 /nfs/dbraw/zinc/41/72/69/451417269.db2.gz LITMJCGAGKKTOC-SFHVURJKSA-N 1 3 331.460 1.393 20 0 EDADHO C[C@H]1CC2(CN1C(=O)[C@@H](N)CN(C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364883 451461981 /nfs/dbraw/zinc/46/19/81/451461981.db2.gz CUCGCBOYDTXFDX-WMZOPIPTSA-N 1 3 344.503 1.436 20 0 EDADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368291 451466402 /nfs/dbraw/zinc/46/64/02/451466402.db2.gz VEVIIWYZQYTYMT-SFHVURJKSA-N 1 3 330.476 1.192 20 0 EDADHO CC[C@@H](C)NC(=O)CCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634700218 451474257 /nfs/dbraw/zinc/47/42/57/451474257.db2.gz VRKIICYWGDCRSG-VQIMIIECSA-N 1 3 333.476 1.518 20 0 EDADHO CC[C@@H](C)NC(=O)CCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634700218 451474265 /nfs/dbraw/zinc/47/42/65/451474265.db2.gz VRKIICYWGDCRSG-VQIMIIECSA-N 1 3 333.476 1.518 20 0 EDADHO O[C@]1(CNCCOC[C@@H]2CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634704707 451480384 /nfs/dbraw/zinc/48/03/84/451480384.db2.gz OJJCTLLACSYSNK-MOPGFXCFSA-N 1 3 334.460 1.266 20 0 EDADHO O[C@]1(CNCCOC[C@@H]2CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704707 451480388 /nfs/dbraw/zinc/48/03/88/451480388.db2.gz OJJCTLLACSYSNK-MOPGFXCFSA-N 1 3 334.460 1.266 20 0 EDADHO O[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719654 451499729 /nfs/dbraw/zinc/49/97/29/451499729.db2.gz WQMLFHUSYRCLOS-OALUTQOASA-N 1 3 334.460 1.001 20 0 EDADHO O[C@@H](CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)COCC1CC1 ZINC000634719654 451499733 /nfs/dbraw/zinc/49/97/33/451499733.db2.gz WQMLFHUSYRCLOS-OALUTQOASA-N 1 3 334.460 1.001 20 0 EDADHO OC[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719923 451499781 /nfs/dbraw/zinc/49/97/81/451499781.db2.gz BPLYPXXLMIVQAZ-LEWJYISDSA-N 1 3 340.467 1.989 20 0 EDADHO OC[C@H](CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634719923 451499789 /nfs/dbraw/zinc/49/97/89/451499789.db2.gz BPLYPXXLMIVQAZ-LEWJYISDSA-N 1 3 340.467 1.989 20 0 EDADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000638419337 451504159 /nfs/dbraw/zinc/50/41/59/451504159.db2.gz HADBNYWEABTUDY-MJGOQNOKSA-N 1 3 346.519 1.682 20 0 EDADHO CCN1CC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631044584 451550048 /nfs/dbraw/zinc/55/00/48/451550048.db2.gz MHXFITGWRRQPLO-LJQANCHMSA-N 1 3 347.503 1.829 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000638539243 451566946 /nfs/dbraw/zinc/56/69/46/451566946.db2.gz KZKJKDSWDKBBEU-UHFFFAOYSA-N 1 3 349.519 1.870 20 0 EDADHO NCc1cccc2c1N(C(=O)c1cn(C[C@@H]3CCC[NH2+]3)nn1)CCC2 ZINC000638543248 451570646 /nfs/dbraw/zinc/57/06/46/451570646.db2.gz GWIUMORDPPGBSE-HNNXBMFYSA-N 1 3 340.431 1.082 20 0 EDADHO CC(C)(C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669252 451641458 /nfs/dbraw/zinc/64/14/58/451641458.db2.gz PWTFTUQEOAGIGN-INIZCTEOSA-N 1 3 325.497 1.188 20 0 EDADHO CC(C)(CNC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669252 451641463 /nfs/dbraw/zinc/64/14/63/451641463.db2.gz PWTFTUQEOAGIGN-INIZCTEOSA-N 1 3 325.497 1.188 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1(C)C ZINC000638670554 451641941 /nfs/dbraw/zinc/64/19/41/451641941.db2.gz FECBMJBPOYETIJ-CRAIPNDOSA-N 1 3 333.432 1.640 20 0 EDADHO CCO[C@H]1C[C@@](N)(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844014 451708823 /nfs/dbraw/zinc/70/88/23/451708823.db2.gz VJJMUZQSMWPDDH-QFBILLFUSA-N 1 3 331.460 1.481 20 0 EDADHO C[C@@H]1CCCN(C(=O)Nc2cnn(C3CCN(C)CC3)c2)[C@@H]1C[NH3+] ZINC000632961326 451670095 /nfs/dbraw/zinc/67/00/95/451670095.db2.gz RACRPJQPOFDFGH-CZUORRHYSA-N 1 3 334.468 1.741 20 0 EDADHO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)c1ccco1 ZINC000637139398 451739403 /nfs/dbraw/zinc/73/94/03/451739403.db2.gz JYQAULOTGBSQBQ-KFWWJZLASA-N 1 3 338.452 1.075 20 0 EDADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000638977017 451744218 /nfs/dbraw/zinc/74/42/18/451744218.db2.gz NVSGXLFPEVYVDF-IPMKNSEASA-N 1 3 334.460 1.394 20 0 EDADHO CO[C@@]1(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762170 /nfs/dbraw/zinc/76/21/70/451762170.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 1 3 334.460 1.361 20 0 EDADHO CO[C@@]1(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639074876 451762172 /nfs/dbraw/zinc/76/21/72/451762172.db2.gz DBJZFLLPIDNNCY-RTBURBONSA-N 1 3 334.460 1.361 20 0 EDADHO O=C(NCc1ccc2c(c1)CNC2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000641173829 451769267 /nfs/dbraw/zinc/76/92/67/451769267.db2.gz DFHHQSPDXWNPGS-SFHVURJKSA-N 1 3 328.460 1.963 20 0 EDADHO [NH3+]CCCCc1cn(C[C@]2(O)CCN(Cc3ccccc3)C2)nn1 ZINC000641228767 451790703 /nfs/dbraw/zinc/79/07/03/451790703.db2.gz DAOWWFAEIZANJN-SFHVURJKSA-N 1 3 329.448 1.197 20 0 EDADHO CO[C@]1(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)CCOC1 ZINC000639267356 451801445 /nfs/dbraw/zinc/80/14/45/451801445.db2.gz YOGBRHFVLWJGNL-IBGZPJMESA-N 1 3 334.460 1.409 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006589 451804611 /nfs/dbraw/zinc/80/46/11/451804611.db2.gz QQYNYSNSQVFRAZ-QZTJIDSGSA-N 1 3 346.475 1.281 20 0 EDADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561692 451862654 /nfs/dbraw/zinc/86/26/54/451862654.db2.gz FELZUFPLYUPULU-IEBWSBKVSA-N 1 3 347.503 1.493 20 0 EDADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000644561939 451863232 /nfs/dbraw/zinc/86/32/32/451863232.db2.gz JQLIIVFZILXCBW-IEBWSBKVSA-N 1 3 347.503 1.493 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@H](O)CN2CCOCC2)CC1 ZINC000644569918 451866959 /nfs/dbraw/zinc/86/69/59/451866959.db2.gz OOZNOHUXUCONBV-PXNSSMCTSA-N 1 3 347.503 1.495 20 0 EDADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC[C@@H](O)CN2CCOCC2)CC1 ZINC000644569917 451867092 /nfs/dbraw/zinc/86/70/92/451867092.db2.gz OOZNOHUXUCONBV-FXAWDEMLSA-N 1 3 347.503 1.495 20 0 EDADHO CCN(CC)[C@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccsc1 ZINC000649292541 451967451 /nfs/dbraw/zinc/96/74/51/451967451.db2.gz OOGJNFSYAZEAJY-CQSZACIVSA-N 1 3 325.478 1.626 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CCN(C)C ZINC000637601670 451967123 /nfs/dbraw/zinc/96/71/23/451967123.db2.gz BOBFCSLLQVVMCK-SJLPKXTDSA-N 1 3 332.492 1.958 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CCN(C)C ZINC000637601670 451967130 /nfs/dbraw/zinc/96/71/30/451967130.db2.gz BOBFCSLLQVVMCK-SJLPKXTDSA-N 1 3 332.492 1.958 20 0 EDADHO CC[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)N1CCc2ccccc2C1 ZINC000649292898 451969171 /nfs/dbraw/zinc/96/91/71/451969171.db2.gz KUNUDXWFPYBWEF-QZTJIDSGSA-N 1 3 331.460 1.176 20 0 EDADHO [NH3+]C1CCC(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000649299481 451977008 /nfs/dbraw/zinc/97/70/08/451977008.db2.gz ZGNFTJLZIULMLR-UHFFFAOYSA-N 1 3 325.522 1.982 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)c3cc(C(F)F)n[nH]3)CC2)CC1 ZINC000639624957 451981451 /nfs/dbraw/zinc/98/14/51/451981451.db2.gz MGYBMWAVCMEQIB-UHFFFAOYSA-N 1 3 341.406 1.636 20 0 EDADHO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000649305793 451981789 /nfs/dbraw/zinc/98/17/89/451981789.db2.gz BJVAPPWZALMPMK-QXAKKESOSA-N 1 3 345.487 1.906 20 0 EDADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cnn1C ZINC000649306914 451982978 /nfs/dbraw/zinc/98/29/78/451982978.db2.gz ZBQAYFQYVZCUPM-NONVJHHQSA-N 1 3 347.507 1.268 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CCN(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649329711 452009432 /nfs/dbraw/zinc/00/94/32/452009432.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 1 3 344.503 1.531 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CCN(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000649329711 452009437 /nfs/dbraw/zinc/00/94/37/452009437.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 1 3 344.503 1.531 20 0 EDADHO N[C@@H]1CCCCN(CC(=O)NCCCCC[NH+]2CCCCC2)C1=O ZINC000649332209 452012668 /nfs/dbraw/zinc/01/26/68/452012668.db2.gz GSQSLLSRSKZCJK-MRXNPFEDSA-N 1 3 338.496 1.099 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342654 452022522 /nfs/dbraw/zinc/02/25/22/452022522.db2.gz HDOMSPGECIZNNJ-CVEARBPZSA-N 1 3 337.414 1.964 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856030 452030296 /nfs/dbraw/zinc/03/02/96/452030296.db2.gz HEQCFMKZCMWKOD-QZTJIDSGSA-N 1 3 344.503 1.986 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856030 452030302 /nfs/dbraw/zinc/03/03/02/452030302.db2.gz HEQCFMKZCMWKOD-QZTJIDSGSA-N 1 3 344.503 1.986 20 0 EDADHO CN1CCN(c2ccncc2NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000649351645 452035005 /nfs/dbraw/zinc/03/50/05/452035005.db2.gz FRDRVVHFFGEOFG-JKSUJKDBSA-N 1 3 343.475 1.408 20 0 EDADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCN(CCO)CC3)ccc21 ZINC000653617181 452043359 /nfs/dbraw/zinc/04/33/59/452043359.db2.gz AWVNDNZLILJXJS-GOSISDBHSA-N 1 3 346.475 1.814 20 0 EDADHO CN1CCN(Cc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151447 452091823 /nfs/dbraw/zinc/09/18/23/452091823.db2.gz GGTWOYDDARZDSV-MRXNPFEDSA-N 1 3 327.432 1.909 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763452 452104088 /nfs/dbraw/zinc/10/40/88/452104088.db2.gz QSMIDBWCGGUKBH-PMACEKPBSA-N 1 3 347.503 1.012 20 0 EDADHO CN(C)C[C@@]1(O)CCC[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639763452 452104090 /nfs/dbraw/zinc/10/40/90/452104090.db2.gz QSMIDBWCGGUKBH-PMACEKPBSA-N 1 3 347.503 1.012 20 0 EDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)CO1 ZINC000647184399 452112351 /nfs/dbraw/zinc/11/23/51/452112351.db2.gz FAHWQWXYTDVWPY-CRAIPNDOSA-N 1 3 331.460 1.779 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846852 452113094 /nfs/dbraw/zinc/11/30/94/452113094.db2.gz YPSUHGXUUBIEIS-QZTJIDSGSA-N 1 3 332.492 1.470 20 0 EDADHO NS(=O)(=O)c1ccc(CNCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000647207013 452125241 /nfs/dbraw/zinc/12/52/41/452125241.db2.gz QTWPSSSEILSPTD-UHFFFAOYSA-N 1 3 341.452 1.437 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000645218714 452216091 /nfs/dbraw/zinc/21/60/91/452216091.db2.gz GMXCYKRWSZWPDI-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO O=c1[nH]c2ccc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2[nH]1 ZINC000641738193 452228078 /nfs/dbraw/zinc/22/80/78/452228078.db2.gz BOKCIANKWTVLGX-IRXDYDNUSA-N 1 3 330.432 1.736 20 0 EDADHO C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CN(C)CCO1 ZINC000643474919 452240818 /nfs/dbraw/zinc/24/08/18/452240818.db2.gz NOQWEEUTVHPPPF-RGIVZKHGSA-N 1 3 331.460 1.551 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654104754 452248040 /nfs/dbraw/zinc/24/80/40/452248040.db2.gz VLAKOVXJRRPGIY-GJZGRUSLSA-N 1 3 334.468 1.583 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654104754 452248042 /nfs/dbraw/zinc/24/80/42/452248042.db2.gz VLAKOVXJRRPGIY-GJZGRUSLSA-N 1 3 334.468 1.583 20 0 EDADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654106261 452250055 /nfs/dbraw/zinc/25/00/55/452250055.db2.gz CCMHSVCSQDFHHU-JZXOWHBKSA-N 1 3 344.459 1.518 20 0 EDADHO N[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000659423878 452266519 /nfs/dbraw/zinc/26/65/19/452266519.db2.gz OORZFJACKYUPCW-IAGOWNOFSA-N 1 3 334.439 1.732 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)[C@H](CC)CO1 ZINC000665763972 452347356 /nfs/dbraw/zinc/34/73/56/452347356.db2.gz QLIPEZHBWSAALJ-GVDBMIGSSA-N 1 3 342.528 1.857 20 0 EDADHO CC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)[C@H](CC)CO1 ZINC000665763972 452347359 /nfs/dbraw/zinc/34/73/59/452347359.db2.gz QLIPEZHBWSAALJ-GVDBMIGSSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000665763696 452349169 /nfs/dbraw/zinc/34/91/69/452349169.db2.gz JGOGSNLMZJIFIE-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC2(CCC2)OC[C@H]1C ZINC000665763696 452349178 /nfs/dbraw/zinc/34/91/78/452349178.db2.gz JGOGSNLMZJIFIE-JKSUJKDBSA-N 1 3 340.512 1.611 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638069496 452374944 /nfs/dbraw/zinc/37/49/44/452374944.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 1 3 332.492 1.436 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000638069496 452374947 /nfs/dbraw/zinc/37/49/47/452374947.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 1 3 332.492 1.436 20 0 EDADHO CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C[C@H]1C[NH3+] ZINC000652191368 452390122 /nfs/dbraw/zinc/39/01/22/452390122.db2.gz SHDJQNGEHYTGMJ-DZOHQFGASA-N 1 3 348.491 1.683 20 0 EDADHO CCCN1CC[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000659557630 452413180 /nfs/dbraw/zinc/41/31/80/452413180.db2.gz TZVIXGLIZQFESA-CMPFZWEDSA-N 1 3 334.508 1.924 20 0 EDADHO N[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[C@H]1F ZINC000659580718 452435186 /nfs/dbraw/zinc/43/51/86/452435186.db2.gz DATCXKGVWJLHJC-KLHDSHLOSA-N 1 3 338.402 1.352 20 0 EDADHO CCCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000659608507 452464089 /nfs/dbraw/zinc/46/40/89/452464089.db2.gz OLTQNEGTOGLKJC-QGZVFWFLSA-N 1 3 338.496 1.413 20 0 EDADHO CCCCCNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347266 452522413 /nfs/dbraw/zinc/52/24/13/452522413.db2.gz XFIZOLKFJLSLHY-QAETUUGQSA-N 1 3 325.497 1.900 20 0 EDADHO COC[C@@H](CC1CCOCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657891922 452596531 /nfs/dbraw/zinc/59/65/31/452596531.db2.gz QCPVVIMTCOVOKZ-PKOBYXMFSA-N 1 3 340.508 1.909 20 0 EDADHO C[C@H]1CCC[C@@](CNC(=O)c2ccn(CCN(C)C)n2)([NH+](C)C)C1 ZINC000654573825 452657317 /nfs/dbraw/zinc/65/73/17/452657317.db2.gz PIFLDGJRULTLPF-MAUKXSAKSA-N 1 3 335.496 1.685 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CCN1Cc1ccccc1 ZINC000655927284 452694858 /nfs/dbraw/zinc/69/48/58/452694858.db2.gz HAMPLORDNZCHDG-XBFCOCLRSA-N 1 3 344.381 1.838 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000654621688 452704687 /nfs/dbraw/zinc/70/46/87/452704687.db2.gz HXRRIVYRFXLGJM-IRXDYDNUSA-N 1 3 340.512 1.469 20 0 EDADHO CCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCN(C)C1 ZINC000664006935 452708781 /nfs/dbraw/zinc/70/87/81/452708781.db2.gz LZENSPILVQLKQD-MRXNPFEDSA-N 1 3 338.496 1.367 20 0 EDADHO CCCN1CC[C@@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953138 452714765 /nfs/dbraw/zinc/71/47/65/452714765.db2.gz MGJCHECHZGVHNL-IAGOWNOFSA-N 1 3 340.512 1.613 20 0 EDADHO O=c1n2ccccc2nn1CCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978591 452722611 /nfs/dbraw/zinc/72/26/11/452722611.db2.gz VFQSNEZHADQDSG-JKSUJKDBSA-N 1 3 329.448 1.208 20 0 EDADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076816 452771961 /nfs/dbraw/zinc/77/19/61/452771961.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 1 3 341.544 1.432 20 0 EDADHO CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648153131 452865398 /nfs/dbraw/zinc/86/53/98/452865398.db2.gz MDOBQARWFKSXMR-AWEZNQCLSA-N 1 3 326.391 1.217 20 0 EDADHO CCc1noc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666445737 452877036 /nfs/dbraw/zinc/87/70/36/452877036.db2.gz GUPMFIUIZLCWGL-LBPRGKRZSA-N 1 3 325.457 1.939 20 0 EDADHO CCc1noc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666445737 452877040 /nfs/dbraw/zinc/87/70/40/452877040.db2.gz GUPMFIUIZLCWGL-LBPRGKRZSA-N 1 3 325.457 1.939 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000645884767 452877443 /nfs/dbraw/zinc/87/74/43/452877443.db2.gz QFRRUPRDVQBTJE-SFHVURJKSA-N 1 3 331.460 1.491 20 0 EDADHO CNC(=O)NC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000666467272 452891151 /nfs/dbraw/zinc/89/11/51/452891151.db2.gz WCKDAIZFCDEXOZ-UHFFFAOYSA-N 1 3 334.464 1.520 20 0 EDADHO NCC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000650720958 452950212 /nfs/dbraw/zinc/95/02/12/452950212.db2.gz JPLYXKFWYWNWRE-NVXWUHKLSA-N 1 3 330.476 1.590 20 0 EDADHO Cc1nccn1CCN1CC[N@@H+](CCn2ccnc2C)[C@H](C)[C@H]1C ZINC000662222652 452956622 /nfs/dbraw/zinc/95/66/22/452956622.db2.gz HECFWPWONAJANH-HZPDHXFCSA-N 1 3 330.480 1.791 20 0 EDADHO Cc1nccn1CCN1CC[N@H+](CCn2ccnc2C)[C@H](C)[C@H]1C ZINC000662222652 452956629 /nfs/dbraw/zinc/95/66/29/452956629.db2.gz HECFWPWONAJANH-HZPDHXFCSA-N 1 3 330.480 1.791 20 0 EDADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662253600 452980138 /nfs/dbraw/zinc/98/01/38/452980138.db2.gz VACRTSZAIAFGTK-MAUKXSAKSA-N 1 3 345.487 1.695 20 0 EDADHO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662253600 452980147 /nfs/dbraw/zinc/98/01/47/452980147.db2.gz VACRTSZAIAFGTK-MAUKXSAKSA-N 1 3 345.487 1.695 20 0 EDADHO Cc1cc(N2CC[C@@H](N3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293549 453015931 /nfs/dbraw/zinc/01/59/31/453015931.db2.gz LWFGXAIOBRBQOQ-DLBZAZTESA-N 1 3 345.491 1.545 20 0 EDADHO Cn1ccc(N2CCC[C@@H](N3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293140 453015961 /nfs/dbraw/zinc/01/59/61/453015961.db2.gz JZZUVDWJGRVAKT-IAGOWNOFSA-N 1 3 345.491 1.627 20 0 EDADHO CN(C)[C@@H](CNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000662332490 453051548 /nfs/dbraw/zinc/05/15/48/453051548.db2.gz QIIZZGRQGUVZEI-KBPBESRZSA-N 1 3 346.397 1.227 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000660141071 453072173 /nfs/dbraw/zinc/07/21/73/453072173.db2.gz QZLYLSRHFMXROV-KBAYOESNSA-N 1 3 325.497 1.138 20 0 EDADHO CO[C@H](CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H]1CCOC1 ZINC000660141071 453072182 /nfs/dbraw/zinc/07/21/82/453072182.db2.gz QZLYLSRHFMXROV-KBAYOESNSA-N 1 3 325.497 1.138 20 0 EDADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000644154767 453086863 /nfs/dbraw/zinc/08/68/63/453086863.db2.gz UZZFSPHUWVDRAE-DLBZAZTESA-N 1 3 331.460 1.392 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)N(C)C)cc1 ZINC000662416379 453125116 /nfs/dbraw/zinc/12/51/16/453125116.db2.gz CKGBTTHAQJYONG-NVXWUHKLSA-N 1 3 341.459 1.828 20 0 EDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662450134 453157237 /nfs/dbraw/zinc/15/72/37/453157237.db2.gz HJYDHWAHVAPCAV-OKILXGFUSA-N 1 3 334.468 1.195 20 0 EDADHO CN(CCN1CCCCC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000652991053 453178701 /nfs/dbraw/zinc/17/87/01/453178701.db2.gz ODROEPJYRMNZCL-UHFFFAOYSA-N 1 3 334.464 1.580 20 0 EDADHO Cc1ccc(CCCNCC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000646215625 453226787 /nfs/dbraw/zinc/22/67/87/453226787.db2.gz GXPQFBGAGFFRNY-UHFFFAOYSA-N 1 3 332.492 1.904 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666974260 453290354 /nfs/dbraw/zinc/29/03/54/453290354.db2.gz MGGTZUIDZUILBF-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC000666974260 453290359 /nfs/dbraw/zinc/29/03/59/453290359.db2.gz MGGTZUIDZUILBF-DOTOQJQBSA-N 1 3 338.496 1.223 20 0 EDADHO CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000666978709 453299147 /nfs/dbraw/zinc/29/91/47/453299147.db2.gz BYYHMCVQRCWZDC-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO CCN(C(=O)NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000666978709 453299151 /nfs/dbraw/zinc/29/91/51/453299151.db2.gz BYYHMCVQRCWZDC-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CCN1Cc1ccccc1 ZINC000653122692 453313100 /nfs/dbraw/zinc/31/31/00/453313100.db2.gz AYKSPWKTHNQJDZ-AEFFLSMTSA-N 1 3 332.492 1.388 20 0 EDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000653175949 453366298 /nfs/dbraw/zinc/36/62/98/453366298.db2.gz GUGRLKRLPBUVEG-RLFYNMQTSA-N 1 3 325.497 1.613 20 0 EDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000653175949 453366305 /nfs/dbraw/zinc/36/63/05/453366305.db2.gz GUGRLKRLPBUVEG-RLFYNMQTSA-N 1 3 325.497 1.613 20 0 EDADHO CO[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCC1 ZINC000667058092 453374250 /nfs/dbraw/zinc/37/42/50/453374250.db2.gz VNUFUTHROAQDTJ-MRXNPFEDSA-N 1 3 328.501 1.326 20 0 EDADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192208 453381562 /nfs/dbraw/zinc/38/15/62/453381562.db2.gz ITRCBHQWEPOMQI-ZJPYXAASSA-N 1 3 331.460 1.301 20 0 EDADHO C[C@@H]1CCCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681008 453402334 /nfs/dbraw/zinc/40/23/34/453402334.db2.gz RNNARXSLWUGJFN-HUUCEWRRSA-N 1 3 334.468 1.054 20 0 EDADHO O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H](N2CCCC2)C1 ZINC000662694240 453414280 /nfs/dbraw/zinc/41/42/80/453414280.db2.gz ZAZYLLBXIATRHI-CVEARBPZSA-N 1 3 346.479 1.293 20 0 EDADHO C[C@@H](CN1CCC(C)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662694865 453415875 /nfs/dbraw/zinc/41/58/75/453415875.db2.gz UTTAFGPCQJZENR-AWEZNQCLSA-N 1 3 334.468 1.053 20 0 EDADHO CN(C)CCn1c2cc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)ccc2oc1=O ZINC000662700771 453422219 /nfs/dbraw/zinc/42/22/19/453422219.db2.gz KNVQPXLZPPLZRX-HNNXBMFYSA-N 1 3 346.431 1.483 20 0 EDADHO CCN1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@@H](C)C1 ZINC000662743863 453470514 /nfs/dbraw/zinc/47/05/14/453470514.db2.gz ABUNHHNXPFKDDO-BBRMVZONSA-N 1 3 334.464 1.944 20 0 EDADHO Cc1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)n(C2CCN(C)CC2)n1 ZINC000655449424 453536350 /nfs/dbraw/zinc/53/63/50/453536350.db2.gz WWFCSVBQEPTPOC-QAPCUYQASA-N 1 3 331.464 1.786 20 0 EDADHO CN(C)C1(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)Cc2ccccc2C1 ZINC000655448963 453537136 /nfs/dbraw/zinc/53/71/36/453537136.db2.gz CQXDDXNUFKQQNP-MJGOQNOKSA-N 1 3 327.472 1.592 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CF)CCOCC1 ZINC000665027121 453546974 /nfs/dbraw/zinc/54/69/74/453546974.db2.gz VVAZLLXBINNNFS-HNNXBMFYSA-N 1 3 346.491 1.324 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CF)CCOCC1 ZINC000665027121 453546979 /nfs/dbraw/zinc/54/69/79/453546979.db2.gz VVAZLLXBINNNFS-HNNXBMFYSA-N 1 3 346.491 1.324 20 0 EDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cccc3c2CNC3)C1 ZINC000662831905 453558801 /nfs/dbraw/zinc/55/88/01/453558801.db2.gz SPOZIGCLRXGDOH-ZTFGCOKTSA-N 1 3 329.444 1.791 20 0 EDADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000662872082 453583066 /nfs/dbraw/zinc/58/30/66/453583066.db2.gz JUVUOFOEKMYJDQ-QGZVFWFLSA-N 1 3 331.460 1.140 20 0 EDADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)COC2(C)CNC2)C1 ZINC000662872082 453583070 /nfs/dbraw/zinc/58/30/70/453583070.db2.gz JUVUOFOEKMYJDQ-QGZVFWFLSA-N 1 3 331.460 1.140 20 0 EDADHO Cc1ccc([C@H](N)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901313 453595745 /nfs/dbraw/zinc/59/57/45/453595745.db2.gz VKHMYHAKDYELDF-OALUTQOASA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@H](N)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000662901313 453595751 /nfs/dbraw/zinc/59/57/51/453595751.db2.gz VKHMYHAKDYELDF-OALUTQOASA-N 1 3 344.503 1.622 20 0 EDADHO Cc1ccc([C@H](N)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000662901313 453595757 /nfs/dbraw/zinc/59/57/57/453595757.db2.gz VKHMYHAKDYELDF-OALUTQOASA-N 1 3 344.503 1.622 20 0 EDADHO [NH3+][C@H]1CCC[C@H](NCCNC(=O)c2ccc(Br)cn2)C1 ZINC000665236127 453618560 /nfs/dbraw/zinc/61/85/60/453618560.db2.gz HZYXRKALPUXGDI-RYUDHWBXSA-N 1 3 341.253 1.433 20 0 EDADHO N[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236411 453619098 /nfs/dbraw/zinc/61/90/98/453619098.db2.gz LZCUQVYRLIMKIN-WDEREUQCSA-N 1 3 327.226 1.043 20 0 EDADHO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240317 453620122 /nfs/dbraw/zinc/62/01/22/453620122.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 1 3 326.444 1.912 20 0 EDADHO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240317 453620126 /nfs/dbraw/zinc/62/01/26/453620126.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 1 3 326.444 1.912 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659091525 453625345 /nfs/dbraw/zinc/62/53/45/453625345.db2.gz ONXFJVREOJWEKE-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO CNCc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659091525 453625347 /nfs/dbraw/zinc/62/53/47/453625347.db2.gz ONXFJVREOJWEKE-OAHLLOKOSA-N 1 3 346.475 1.581 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659096825 453629242 /nfs/dbraw/zinc/62/92/42/453629242.db2.gz WTKFQPMATPQOSX-CQSZACIVSA-N 1 3 332.448 1.334 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660885954 453632495 /nfs/dbraw/zinc/63/24/95/453632495.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 1 3 334.508 1.890 20 0 EDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660885954 453632497 /nfs/dbraw/zinc/63/24/97/453632497.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 1 3 334.508 1.890 20 0 EDADHO CCN1CCN(CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657307686 453762478 /nfs/dbraw/zinc/76/24/78/453762478.db2.gz GUMIKPZHBPIXJG-HXUWFJFHSA-N 1 3 347.503 1.972 20 0 EDADHO Cn1cc(CCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cn1 ZINC000680431971 486774307 /nfs/dbraw/zinc/77/43/07/486774307.db2.gz BKEDEKIHJWYUIV-UHFFFAOYSA-N 1 3 333.524 1.702 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699805 486846341 /nfs/dbraw/zinc/84/63/41/486846341.db2.gz FLSPQLYRNLVTPY-MSOLQXFVSA-N 1 3 335.492 1.763 20 0 EDADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000676699805 486846345 /nfs/dbraw/zinc/84/63/45/486846345.db2.gz FLSPQLYRNLVTPY-MSOLQXFVSA-N 1 3 335.492 1.763 20 0 EDADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)ccn1 ZINC000667822598 486982949 /nfs/dbraw/zinc/98/29/49/486982949.db2.gz NZQWCQHWKNTTQP-HKUYNNGSSA-N 1 3 330.476 1.751 20 0 EDADHO CN(C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1 ZINC000321438307 486992940 /nfs/dbraw/zinc/99/29/40/486992940.db2.gz MHXVRUHTEKOABQ-UKRRQHHQSA-N 1 3 329.366 1.948 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000677375821 487059616 /nfs/dbraw/zinc/05/96/16/487059616.db2.gz LYVBCZLNBOHNTF-MRXNPFEDSA-N 1 3 348.495 1.640 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000677375820 487059738 /nfs/dbraw/zinc/05/97/38/487059738.db2.gz LYVBCZLNBOHNTF-INIZCTEOSA-N 1 3 348.495 1.640 20 0 EDADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640683 487073755 /nfs/dbraw/zinc/07/37/55/487073755.db2.gz JTFKPAFEXKCTTQ-GGPKGHCWSA-N 1 3 343.471 1.366 20 0 EDADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000673640683 487073760 /nfs/dbraw/zinc/07/37/60/487073760.db2.gz JTFKPAFEXKCTTQ-GGPKGHCWSA-N 1 3 343.471 1.366 20 0 EDADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677902329 487196155 /nfs/dbraw/zinc/19/61/55/487196155.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 1 3 342.487 1.109 20 0 EDADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677902329 487196158 /nfs/dbraw/zinc/19/61/58/487196158.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 1 3 342.487 1.109 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CCO1 ZINC000669528898 485503497 /nfs/dbraw/zinc/50/34/97/485503497.db2.gz PUXQFOCXUSZJPO-LAQRGFTBSA-N 1 3 346.475 1.407 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556101 485559363 /nfs/dbraw/zinc/55/93/63/485559363.db2.gz HBTVYHMAPXEGOA-ZWKOTPCHSA-N 1 3 346.475 1.195 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CCO1 ZINC000669587429 485639324 /nfs/dbraw/zinc/63/93/24/485639324.db2.gz FGSSAEARTZWNKY-IDCNUPLLSA-N 1 3 346.475 1.407 20 0 EDADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CN1C1CC1 ZINC000345380136 485973837 /nfs/dbraw/zinc/97/38/37/485973837.db2.gz LYAQUBFFQDMKFX-SIUPPRGNSA-N 1 3 335.492 1.475 20 0 EDADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCN1C ZINC000347090944 486011348 /nfs/dbraw/zinc/01/13/48/486011348.db2.gz HMHJRLOKBJQNBO-DDBAPUKQSA-N 1 3 337.508 1.674 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668665622 486015477 /nfs/dbraw/zinc/01/54/77/486015477.db2.gz CIIGTYWATNRZBD-KURKYZTESA-N 1 3 328.460 1.654 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000669389601 486025763 /nfs/dbraw/zinc/02/57/63/486025763.db2.gz DFZVKJMZOGEWEO-LSDHHAIUSA-N 1 3 340.537 1.727 20 0 EDADHO O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420238 486139420 /nfs/dbraw/zinc/13/94/20/486139420.db2.gz FXKMBMGPNPJEMH-QZTJIDSGSA-N 1 3 330.476 1.950 20 0 EDADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N2CCC(OC)CC2)CC[C@@H]1[NH3+] ZINC000669469590 486221182 /nfs/dbraw/zinc/22/11/82/486221182.db2.gz ZTHMEAYRFCJHIK-ZBFHGGJFSA-N 1 3 340.512 1.645 20 0 EDADHO [NH3+]C/C=C\CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000669477784 486237729 /nfs/dbraw/zinc/23/77/29/486237729.db2.gz UUAKJICYVOBQCZ-PLNGDYQASA-N 1 3 326.510 1.552 20 0 EDADHO CN(CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700846 486482084 /nfs/dbraw/zinc/48/20/84/486482084.db2.gz CJKRSJNQUGQSRC-FQEVSTJZSA-N 1 3 344.503 1.262 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073225586 491007763 /nfs/dbraw/zinc/00/77/63/491007763.db2.gz VVJYMTYHJQYOOB-CALCHBBNSA-N 1 3 336.524 1.345 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000073225586 491007765 /nfs/dbraw/zinc/00/77/65/491007765.db2.gz VVJYMTYHJQYOOB-CALCHBBNSA-N 1 3 336.524 1.345 20 0 EDADHO COC1CCN(CCNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000080096529 491170397 /nfs/dbraw/zinc/17/03/97/491170397.db2.gz HYCUJAAUPNGOHO-MRXNPFEDSA-N 1 3 340.512 1.518 20 0 EDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000164606394 528834578 /nfs/dbraw/zinc/83/45/78/528834578.db2.gz FPIILFQSOSVVRR-SFHVURJKSA-N 1 3 333.476 1.912 20 0 EDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CNC[C@@H]1CCCO1 ZINC000164606394 528834581 /nfs/dbraw/zinc/83/45/81/528834581.db2.gz FPIILFQSOSVVRR-SFHVURJKSA-N 1 3 333.476 1.912 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000339607144 535065699 /nfs/dbraw/zinc/06/56/99/535065699.db2.gz IJKDCFMAGPSLOL-HZPDHXFCSA-N 1 3 340.512 1.163 20 0 EDADHO CN(C)C[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739755 535952620 /nfs/dbraw/zinc/95/26/20/535952620.db2.gz JCSVJVMRNSSEDU-WMZOPIPTSA-N 1 3 341.459 1.840 20 0 EDADHO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353423848 536137806 /nfs/dbraw/zinc/13/78/06/536137806.db2.gz FOSXZHSDMSBFLH-LJQANCHMSA-N 1 3 342.491 1.594 20 0 EDADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280482 578805099 /nfs/dbraw/zinc/80/50/99/578805099.db2.gz LMSKKZCPFODDRG-RDJZCZTQSA-N 1 3 336.480 1.166 20 0 EDADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155959 580050012 /nfs/dbraw/zinc/05/00/12/580050012.db2.gz NBUAULKCCJXWFE-CYBMUJFWSA-N 1 3 331.551 1.667 20 0 EDADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000758456563 579982904 /nfs/dbraw/zinc/98/29/04/579982904.db2.gz TUIREELXNSWGIR-HYVNUMGLSA-N 1 3 338.496 1.221 20 0 EDADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)C(C)C ZINC000774787929 580374202 /nfs/dbraw/zinc/37/42/02/580374202.db2.gz FIWLUMRQYXJRHS-MRXNPFEDSA-N 1 3 340.512 1.212 20 0 EDADHO C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)N1[C@H](C)CC[C@@H]1C ZINC000780947179 580538502 /nfs/dbraw/zinc/53/85/02/580538502.db2.gz SMRJGRMJEZTNIX-UCIFAOBLSA-N 1 3 337.508 1.958 20 0 EDADHO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000793710547 580853088 /nfs/dbraw/zinc/85/30/88/580853088.db2.gz RZJBSGSCNBYICP-INIZCTEOSA-N 1 3 340.512 1.023 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N2CCCCC[C@H]([NH3+])C2)CCCO1 ZINC000891857096 590657829 /nfs/dbraw/zinc/65/78/29/590657829.db2.gz YOZIAHUZCNUKPC-CVEARBPZSA-N 1 3 326.485 1.400 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000891856585 590657891 /nfs/dbraw/zinc/65/78/91/590657891.db2.gz RZSQHOLNTAPFKY-NXHRZFHOSA-N 1 3 346.475 1.409 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674757 /nfs/dbraw/zinc/67/47/57/590674757.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 1 3 342.487 1.638 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674758 /nfs/dbraw/zinc/67/47/58/590674758.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 1 3 342.487 1.638 20 0 EDADHO CSC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCN(C)CC1 ZINC000891909039 590683836 /nfs/dbraw/zinc/68/38/36/590683836.db2.gz ZFKZZAXXZVQOAW-KBPBESRZSA-N 1 3 326.510 1.350 20 0 EDADHO C[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893302411 590767275 /nfs/dbraw/zinc/76/72/75/590767275.db2.gz FZEJEBZAAUFSIS-ZBFHGGJFSA-N 1 3 337.489 1.711 20 0 EDADHO C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1ccncc1 ZINC000892090760 590793957 /nfs/dbraw/zinc/79/39/57/590793957.db2.gz HYOXNBQREIRFFH-WMLDXEAASA-N 1 3 331.464 1.819 20 0 EDADHO COCCN1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000892335203 590962663 /nfs/dbraw/zinc/96/26/63/590962663.db2.gz QVCQMUUJKMITDN-UHFFFAOYSA-N 1 3 328.501 1.326 20 0 EDADHO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CCN1C ZINC000892343934 590972074 /nfs/dbraw/zinc/97/20/74/590972074.db2.gz XJACEELBZKELBE-PBHICJAKSA-N 1 3 330.476 1.956 20 0 EDADHO [NH3+][C@H](CCNC(=O)NC[C@H]1CCCN1CCCO)Cc1ccccc1 ZINC000892407914 591015329 /nfs/dbraw/zinc/01/53/29/591015329.db2.gz JAIQXVOLNGAYLF-QZTJIDSGSA-N 1 3 348.491 1.093 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000891321751 591045978 /nfs/dbraw/zinc/04/59/78/591045978.db2.gz BJERAXBLCOTYGM-QZTJIDSGSA-N 1 3 332.492 1.943 20 0 EDADHO C[NH+]1CCC(N2CC[C@H](Nc3nc(Cl)nc4nc[nH]c43)C2)CC1 ZINC000892490174 591047468 /nfs/dbraw/zinc/04/74/68/591047468.db2.gz ORIININDLBAYGG-JTQLQIEISA-N 1 3 335.843 1.587 20 0 EDADHO C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1ccncc1 ZINC000892585308 591082110 /nfs/dbraw/zinc/08/21/10/591082110.db2.gz VBBCAVZTHATFOA-WCXIOVBPSA-N 1 3 343.475 1.832 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)COC(C)=O)cc2)CC1 ZINC000892596676 591087180 /nfs/dbraw/zinc/08/71/80/591087180.db2.gz MTHAUJSSIYYPPH-INIZCTEOSA-N 1 3 333.476 1.865 20 0 EDADHO C[NH2+]C[C@H]1CCCCN1C(=O)NC1CCN(CCCOC)CC1 ZINC000891493627 591092656 /nfs/dbraw/zinc/09/26/56/591092656.db2.gz WLAXAPFGCRRGDR-MRXNPFEDSA-N 1 3 326.485 1.271 20 0 EDADHO CC(C)([NH3+])CCNC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000891518114 591104182 /nfs/dbraw/zinc/10/41/82/591104182.db2.gz NFXLAYIODVTFHK-UHFFFAOYSA-N 1 3 348.491 1.570 20 0 EDADHO C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114794 /nfs/dbraw/zinc/11/47/94/591114794.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114798 /nfs/dbraw/zinc/11/47/98/591114798.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 1 3 342.487 1.854 20 0 EDADHO C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542793 591115381 /nfs/dbraw/zinc/11/53/81/591115381.db2.gz LLOTYDKDFAGHEY-FGTMMUONSA-N 1 3 328.460 1.464 20 0 EDADHO C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]2C1 ZINC000891542793 591115383 /nfs/dbraw/zinc/11/53/83/591115383.db2.gz LLOTYDKDFAGHEY-FGTMMUONSA-N 1 3 328.460 1.464 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000891547104 591117684 /nfs/dbraw/zinc/11/76/84/591117684.db2.gz XSKITPVMOZWVHX-HUUCEWRRSA-N 1 3 340.537 1.869 20 0 EDADHO O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817563 591192837 /nfs/dbraw/zinc/19/28/37/591192837.db2.gz DZMHQCFHKXNHEE-SJORKVTESA-N 1 3 336.480 1.166 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800930 591228517 /nfs/dbraw/zinc/22/85/17/591228517.db2.gz XLKUPWRCPOMNEU-WOGUSJMUSA-N 1 3 342.487 1.758 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000895665248 591246169 /nfs/dbraw/zinc/24/61/69/591246169.db2.gz AQFPSCPBBJBOSP-BMGDILEWSA-N 1 3 348.491 1.216 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000895665248 591246172 /nfs/dbraw/zinc/24/61/72/591246172.db2.gz AQFPSCPBBJBOSP-BMGDILEWSA-N 1 3 348.491 1.216 20 0 EDADHO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@H]2C)c1F ZINC000895737792 591265228 /nfs/dbraw/zinc/26/52/28/591265228.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 1 3 336.459 1.933 20 0 EDADHO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CCN(C)[C@H]2C)c1F ZINC000895737792 591265230 /nfs/dbraw/zinc/26/52/30/591265230.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 1 3 336.459 1.933 20 0 EDADHO CN(CCN(C)[C@@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453068 591316197 /nfs/dbraw/zinc/31/61/97/591316197.db2.gz AMOAYYJLYBIYIR-DLBZAZTESA-N 1 3 343.487 1.578 20 0 EDADHO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000898401596 591341448 /nfs/dbraw/zinc/34/14/48/591341448.db2.gz UZSQDUVWSBELBS-QFIPXVFZSA-N 1 3 330.542 1.615 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000894750943 591407079 /nfs/dbraw/zinc/40/70/79/591407079.db2.gz NTCAQVVEFHZZLI-OWLYRPNTSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@H](NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000894750943 591407081 /nfs/dbraw/zinc/40/70/81/591407081.db2.gz NTCAQVVEFHZZLI-OWLYRPNTSA-N 1 3 330.476 1.881 20 0 EDADHO C[C@@H]1CCN(CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469707 591471206 /nfs/dbraw/zinc/47/12/06/591471206.db2.gz PBZNNQQSXOIUOQ-OAHLLOKOSA-N 1 3 338.496 1.271 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC12CCCC2 ZINC000898768236 591521206 /nfs/dbraw/zinc/52/12/06/591521206.db2.gz XFTCXFXBGXNJKT-HNNXBMFYSA-N 1 3 326.485 1.223 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897545541 591545292 /nfs/dbraw/zinc/54/52/92/591545292.db2.gz PZYUCJPBCPLHRX-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1 ZINC000897545541 591545296 /nfs/dbraw/zinc/54/52/96/591545296.db2.gz PZYUCJPBCPLHRX-MRXNPFEDSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000896617753 591554233 /nfs/dbraw/zinc/55/42/33/591554233.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 1 3 330.476 1.724 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCN1C ZINC000896617753 591554234 /nfs/dbraw/zinc/55/42/34/591554234.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 1 3 330.476 1.724 20 0 EDADHO CC[C@H](C)N[C@H](CNC(=O)COC1CC[NH+](C)CC1)c1ccco1 ZINC000899080520 591669635 /nfs/dbraw/zinc/66/96/35/591669635.db2.gz VWDBNURCDDHPHD-GOEBONIOSA-N 1 3 337.464 1.936 20 0 EDADHO CN(CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)CC(C)(C)C ZINC000899201358 591727648 /nfs/dbraw/zinc/72/76/48/591727648.db2.gz UASMFNGMFBLPPO-INIZCTEOSA-N 1 3 325.497 1.724 20 0 EDADHO CN(C)C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)c1ccccc1 ZINC000900018496 591869676 /nfs/dbraw/zinc/86/96/76/591869676.db2.gz IVSHJESJEGXOSY-INIZCTEOSA-N 1 3 329.448 1.477 20 0 EDADHO CCOC(=O)N1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)[C@@H](CO)C1 ZINC000898353251 591884440 /nfs/dbraw/zinc/88/44/40/591884440.db2.gz DFVOMYGAZHIGDI-PBHICJAKSA-N 1 3 348.447 1.089 20 0 EDADHO CC1CC[NH+](CCCCNC(=O)C[C@]2(O)CCCN(C)C2)CC1 ZINC000900217338 591946611 /nfs/dbraw/zinc/94/66/11/591946611.db2.gz VZSBDTYTVULZOP-GOSISDBHSA-N 1 3 325.497 1.462 20 0 EDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnn2CCN(C)C)C1 ZINC000900218816 591947315 /nfs/dbraw/zinc/94/73/15/591947315.db2.gz NPFYMKRFPXAKRU-HZPDHXFCSA-N 1 3 335.496 1.543 20 0 EDADHO Cc1cccc(NC(=O)CONC(=N)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000902811463 592069144 /nfs/dbraw/zinc/06/91/44/592069144.db2.gz WCKSJCMXHNEFAD-LSDHHAIUSA-N 1 3 332.404 1.295 20 0 EDADHO Cc1cccc(NC(=O)CONC(=N)[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000902811463 592069147 /nfs/dbraw/zinc/06/91/47/592069147.db2.gz WCKSJCMXHNEFAD-LSDHHAIUSA-N 1 3 332.404 1.295 20 0 EDADHO CC1CCC(N2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900732678 592111914 /nfs/dbraw/zinc/11/19/14/592111914.db2.gz VQQKUPPFKZIXPX-FAFZWHIHSA-N 1 3 337.508 1.556 20 0 EDADHO CC1CCC(N2CCN(C(=O)C[C@]3(O)CCC[N@@H+](C)C3)CC2)CC1 ZINC000900732678 592111916 /nfs/dbraw/zinc/11/19/16/592111916.db2.gz VQQKUPPFKZIXPX-FAFZWHIHSA-N 1 3 337.508 1.556 20 0 EDADHO CCN1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC000903191174 592136810 /nfs/dbraw/zinc/13/68/10/592136810.db2.gz PAYLQMOYOJQXJW-HUUCEWRRSA-N 1 3 345.553 1.947 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277812 592150314 /nfs/dbraw/zinc/15/03/14/592150314.db2.gz CHOUCTLHNIMFFG-HOJAQTOUSA-N 1 3 347.503 1.322 20 0 EDADHO C[C@@H]1C[C@@H](NC[C@]2(CO)COCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000903277812 592150316 /nfs/dbraw/zinc/15/03/16/592150316.db2.gz CHOUCTLHNIMFFG-HOJAQTOUSA-N 1 3 347.503 1.322 20 0 EDADHO FC(F)(F)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)O1 ZINC000903505606 592181970 /nfs/dbraw/zinc/18/19/70/592181970.db2.gz DVECCZGGZDETSJ-XUWVNRHRSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)O1 ZINC000903505606 592181971 /nfs/dbraw/zinc/18/19/71/592181971.db2.gz DVECCZGGZDETSJ-XUWVNRHRSA-N 1 3 347.425 1.997 20 0 EDADHO FC(F)(F)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)O1 ZINC000903505606 592181973 /nfs/dbraw/zinc/18/19/73/592181973.db2.gz DVECCZGGZDETSJ-XUWVNRHRSA-N 1 3 347.425 1.997 20 0 EDADHO COCc1noc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)n1 ZINC000903507095 592198854 /nfs/dbraw/zinc/19/88/54/592198854.db2.gz MWARZMIFGONRPL-AEGPPILISA-N 1 3 335.452 1.178 20 0 EDADHO COCc1noc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)n1 ZINC000903507095 592198856 /nfs/dbraw/zinc/19/88/56/592198856.db2.gz MWARZMIFGONRPL-AEGPPILISA-N 1 3 335.452 1.178 20 0 EDADHO [NH3+][C@H]1C[C@@H](CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000904340871 592234488 /nfs/dbraw/zinc/23/44/88/592234488.db2.gz MLHQDLSTJHOYFZ-SOLBZPMBSA-N 1 3 328.460 1.147 20 0 EDADHO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)C[C@@H]1C ZINC000906657101 592239369 /nfs/dbraw/zinc/23/93/69/592239369.db2.gz KEAPJGYWAZCGII-ZFWWWQNUSA-N 1 3 332.448 1.415 20 0 EDADHO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN)C[C@@H]1C ZINC000906657101 592239372 /nfs/dbraw/zinc/23/93/72/592239372.db2.gz KEAPJGYWAZCGII-ZFWWWQNUSA-N 1 3 332.448 1.415 20 0 EDADHO c1cc(N2CCNCC2)oc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000904371284 592240281 /nfs/dbraw/zinc/24/02/81/592240281.db2.gz LRLPSMMTXCVIDV-GOSISDBHSA-N 1 3 326.444 1.836 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665718 592247749 /nfs/dbraw/zinc/24/77/49/592247749.db2.gz DFKNCCCQTVUFOW-HNNXBMFYSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1CN ZINC000906665573 592247773 /nfs/dbraw/zinc/24/77/73/592247773.db2.gz ZIWKOHQRSDHBBL-ZDUSSCGKSA-N 1 3 332.448 1.273 20 0 EDADHO CCCN1CCN(c2ccccc2CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000904407142 592250531 /nfs/dbraw/zinc/25/05/31/592250531.db2.gz OBHINRUFSKUBIT-FQEVSTJZSA-N 1 3 346.519 1.504 20 0 EDADHO O=C(C1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903717682 592280479 /nfs/dbraw/zinc/28/04/79/592280479.db2.gz CZHDFHMNQBWAGP-MJGOQNOKSA-N 1 3 335.492 1.480 20 0 EDADHO CC(C)N(C)C(=O)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723022 592283896 /nfs/dbraw/zinc/28/38/96/592283896.db2.gz RZMLMTDPAVULKI-KRWDZBQOSA-N 1 3 337.508 1.724 20 0 EDADHO COc1ccccc1[C@@H]1CNCCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747263 592293837 /nfs/dbraw/zinc/29/38/37/592293837.db2.gz QSEPYJGSSZZFBG-AYBZRNKSSA-N 1 3 331.460 1.410 20 0 EDADHO COCCCOC1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734465 592298165 /nfs/dbraw/zinc/29/81/65/592298165.db2.gz RHHZLKSJEDLSJT-QGZVFWFLSA-N 1 3 326.481 1.663 20 0 EDADHO COC(=O)c1cc(C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779081 592318816 /nfs/dbraw/zinc/31/88/16/592318816.db2.gz TZSOEUKVZIQXAT-KSSFIOAISA-N 1 3 349.431 1.409 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CN(CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902603 592371406 /nfs/dbraw/zinc/37/14/06/592371406.db2.gz KHYQPMOCWPLLIS-GOSISDBHSA-N 1 3 330.476 1.649 20 0 EDADHO COc1ccc2c(c1)CCN(C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903903407 592372089 /nfs/dbraw/zinc/37/20/89/592372089.db2.gz IZRPWQHMRAFFGZ-INIZCTEOSA-N 1 3 342.487 1.955 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCn1cnc2ccccc21 ZINC000903922752 592378034 /nfs/dbraw/zinc/37/80/34/592378034.db2.gz DKNCQKUGHGIHEJ-CQSZACIVSA-N 1 3 325.420 1.342 20 0 EDADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2)CC1 ZINC000905050206 592379291 /nfs/dbraw/zinc/37/92/91/592379291.db2.gz TYCBTLZWJXRLQZ-SFHVURJKSA-N 1 3 341.446 1.930 20 0 EDADHO CN(C)[C@@H](CNCc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926331 592381174 /nfs/dbraw/zinc/38/11/74/592381174.db2.gz KVILZDBRNPTAHB-AEFFLSMTSA-N 1 3 328.464 1.595 20 0 EDADHO CC[NH+](CC)Cc1cccc(CNC[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905052200 592381664 /nfs/dbraw/zinc/38/16/64/592381664.db2.gz NLYRIQBNVLWBKE-MOPGFXCFSA-N 1 3 336.476 1.520 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933141 592384809 /nfs/dbraw/zinc/38/48/09/592384809.db2.gz YWUAPSSJJYLLRP-PKOBYXMFSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933141 592384814 /nfs/dbraw/zinc/38/48/14/592384814.db2.gz YWUAPSSJJYLLRP-PKOBYXMFSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cnn1C ZINC000903933141 592384819 /nfs/dbraw/zinc/38/48/19/592384819.db2.gz YWUAPSSJJYLLRP-PKOBYXMFSA-N 1 3 349.523 1.033 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCN(c3ccncc3)[C@@H](C)C2)cnn1C ZINC000903937996 592387203 /nfs/dbraw/zinc/38/72/03/592387203.db2.gz XEFVALILSMJUSB-RDJZCZTQSA-N 1 3 342.491 1.452 20 0 EDADHO C[NH+](C)CCNC(=O)c1cccc(CNC[C@](C)(O)C(F)F)c1 ZINC000905086205 592390865 /nfs/dbraw/zinc/39/08/65/592390865.db2.gz BKCBGNXOERVZDN-INIZCTEOSA-N 1 3 329.391 1.084 20 0 EDADHO c1[nH]nc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)ccc12 ZINC000903980487 592400154 /nfs/dbraw/zinc/40/01/54/592400154.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 1 3 325.460 1.964 20 0 EDADHO c1[nH]nc2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)ccc12 ZINC000903980487 592400157 /nfs/dbraw/zinc/40/01/57/592400157.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 1 3 325.460 1.964 20 0 EDADHO c1[nH]nc2cc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)ccc12 ZINC000903980487 592400160 /nfs/dbraw/zinc/40/01/60/592400160.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 1 3 325.460 1.964 20 0 EDADHO CN(C)Cc1cnc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)s1 ZINC000903980322 592400524 /nfs/dbraw/zinc/40/05/24/592400524.db2.gz OWTNWRFUSNEOMW-IYBDPMFKSA-N 1 3 349.548 1.605 20 0 EDADHO CCOC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)o1 ZINC000903980740 592401485 /nfs/dbraw/zinc/40/14/85/592401485.db2.gz YZDZYBAHMYEFMX-IYBDPMFKSA-N 1 3 347.459 1.857 20 0 EDADHO CCOC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)o1 ZINC000903980740 592401489 /nfs/dbraw/zinc/40/14/89/592401489.db2.gz YZDZYBAHMYEFMX-IYBDPMFKSA-N 1 3 347.459 1.857 20 0 EDADHO CSC1(CNC(=O)[C@@H]2CC[C@@H]3CCCCN32)CC[NH+](C)CC1 ZINC000908286675 592425817 /nfs/dbraw/zinc/42/58/17/592425817.db2.gz YHSQDWUMEOOMHD-GJZGRUSLSA-N 1 3 325.522 1.947 20 0 EDADHO CC(C)(C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)N1CCCCC1 ZINC000907017808 592481368 /nfs/dbraw/zinc/48/13/68/592481368.db2.gz OCCBQJKDEZRQQX-QGZVFWFLSA-N 1 3 337.508 1.964 20 0 EDADHO CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C2 ZINC000905504871 592546862 /nfs/dbraw/zinc/54/68/62/592546862.db2.gz ZMEVAMMKEDYPQF-MFKWGIFDSA-N 1 3 332.488 1.659 20 0 EDADHO CC(C)Nc1nc(NCCO)nc(N2CCCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000905684025 592611891 /nfs/dbraw/zinc/61/18/91/592611891.db2.gz YHTXGIOIJGAHLV-KRWDZBQOSA-N 1 3 349.483 1.066 20 0 EDADHO O[C@H](CNCc1ccc(C[NH+]2CCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905889296 592668822 /nfs/dbraw/zinc/66/88/22/592668822.db2.gz JOBCVAYOWDWBJF-RBUKOAKNSA-N 1 3 334.460 1.274 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000906580352 592857517 /nfs/dbraw/zinc/85/75/17/592857517.db2.gz MSQAEGWVECTNCJ-INIZCTEOSA-N 1 3 325.497 1.678 20 0 EDADHO CC1CCN(CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906645416 592865840 /nfs/dbraw/zinc/86/58/40/592865840.db2.gz LZPWCONUMJJZIZ-UHFFFAOYSA-N 1 3 346.475 1.667 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911054941 592911339 /nfs/dbraw/zinc/91/13/39/592911339.db2.gz LMALPYPFXSWZTD-HZPDHXFCSA-N 1 3 338.496 1.016 20 0 EDADHO C[C@@H]1CCCN1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727497 593374790 /nfs/dbraw/zinc/37/47/90/593374790.db2.gz FNMBNSZECXDCGW-ZBFHGGJFSA-N 1 3 325.522 1.804 20 0 EDADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811875064 593484933 /nfs/dbraw/zinc/48/49/33/593484933.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000811875064 593484934 /nfs/dbraw/zinc/48/49/34/593484934.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 1 3 326.485 1.269 20 0 EDADHO C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817901007 593646977 /nfs/dbraw/zinc/64/69/77/593646977.db2.gz YINMKNGUQORRNM-ZYHUDNBSSA-N 1 3 343.415 1.421 20 0 EDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817937656 593650512 /nfs/dbraw/zinc/65/05/12/593650512.db2.gz YXMMWMDOJUIHOR-NSHDSACASA-N 1 3 345.260 1.929 20 0 EDADHO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(-c4nnn[n-]4)cs3)C2)CC1 ZINC000821621797 593883866 /nfs/dbraw/zinc/88/38/66/593883866.db2.gz GVBDOUIJMVAHOM-CYBMUJFWSA-N 1 3 347.492 1.186 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101757 /nfs/dbraw/zinc/10/17/57/594101757.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 1 3 345.487 1.742 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101758 /nfs/dbraw/zinc/10/17/58/594101758.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 1 3 345.487 1.742 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662761 /nfs/dbraw/zinc/66/27/61/594662761.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 1 3 342.487 1.846 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662762 /nfs/dbraw/zinc/66/27/62/594662762.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 1 3 342.487 1.846 20 0 EDADHO CCO[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CN(C)C ZINC000831719787 594695894 /nfs/dbraw/zinc/69/58/94/594695894.db2.gz UTUQDUCRIIBQMO-JKSUJKDBSA-N 1 3 343.537 1.287 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000841006535 594838260 /nfs/dbraw/zinc/83/82/60/594838260.db2.gz FJFGLWPIMPSBQZ-POAQFYNOSA-N 1 3 345.487 1.772 20 0 EDADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000841006535 594838262 /nfs/dbraw/zinc/83/82/62/594838262.db2.gz FJFGLWPIMPSBQZ-POAQFYNOSA-N 1 3 345.487 1.772 20 0 EDADHO COc1cccc2cc(CN3CCC[C@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047961 595273752 /nfs/dbraw/zinc/27/37/52/595273752.db2.gz FAFVKHMEQUCOKZ-AWEZNQCLSA-N 1 3 331.416 1.728 20 0 EDADHO [NH3+]CCc1nc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cs1 ZINC000844169654 595289939 /nfs/dbraw/zinc/28/99/39/595289939.db2.gz BMKYWOOKDMSXRG-ZDUSSCGKSA-N 1 3 338.477 1.018 20 0 EDADHO CC[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000844185729 595295885 /nfs/dbraw/zinc/29/58/85/595295885.db2.gz PLMGZFSLYPRPSU-MRXNPFEDSA-N 1 3 332.448 1.401 20 0 EDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708890 595304984 /nfs/dbraw/zinc/30/49/84/595304984.db2.gz XLGUHUMVWXOFIU-CVEARBPZSA-N 1 3 346.475 1.663 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cn(C)nc3C)CC2)CC1 ZINC000847517454 595438925 /nfs/dbraw/zinc/43/89/25/595438925.db2.gz BIZLMENTCXOKIM-UHFFFAOYSA-N 1 3 333.480 1.863 20 0 EDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096566 595481470 /nfs/dbraw/zinc/48/14/70/595481470.db2.gz VSNYQHYBFRIECQ-CABCVRRESA-N 1 3 332.448 1.815 20 0 EDADHO CC[NH+](CC)CCCNC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849485919 595548007 /nfs/dbraw/zinc/54/80/07/595548007.db2.gz YXEJOLZWKSLLSI-IRXDYDNUSA-N 1 3 335.496 1.304 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[N@H+](C)C(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541160 595561215 /nfs/dbraw/zinc/56/12/15/595561215.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 1 3 349.523 1.690 20 0 EDADHO CC(C)N1CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541160 595561218 /nfs/dbraw/zinc/56/12/18/595561218.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 1 3 349.523 1.690 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC000849582072 595581823 /nfs/dbraw/zinc/58/18/23/595581823.db2.gz KOIMCJVTTYGMQX-SJORKVTESA-N 1 3 335.496 1.256 20 0 EDADHO CC(C)N1CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598341 595588101 /nfs/dbraw/zinc/58/81/01/595588101.db2.gz ZQBXXIKKNGSHFU-NXHRZFHOSA-N 1 3 349.523 1.548 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852870529 595590299 /nfs/dbraw/zinc/59/02/99/595590299.db2.gz DGWXDCIJHKGPDA-FVQBIDKESA-N 1 3 330.432 1.117 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852870529 595590305 /nfs/dbraw/zinc/59/03/05/595590305.db2.gz DGWXDCIJHKGPDA-FVQBIDKESA-N 1 3 330.432 1.117 20 0 EDADHO [NH3+]CCCCCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000852929663 595618695 /nfs/dbraw/zinc/61/86/95/595618695.db2.gz APLQTLCOGJFIDW-HNNXBMFYSA-N 1 3 348.495 1.044 20 0 EDADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccn1 ZINC000853110215 595667110 /nfs/dbraw/zinc/66/71/10/595667110.db2.gz XDGZQWSHJVCEDV-AZUAARDMSA-N 1 3 341.455 1.862 20 0 EDADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC[C@@H](O)c1ccccn1 ZINC000853110215 595667111 /nfs/dbraw/zinc/66/71/11/595667111.db2.gz XDGZQWSHJVCEDV-AZUAARDMSA-N 1 3 341.455 1.862 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855346327 595680770 /nfs/dbraw/zinc/68/07/70/595680770.db2.gz WZKPZFNFNPJDRE-MAUKXSAKSA-N 1 3 346.475 1.568 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000855346327 595680772 /nfs/dbraw/zinc/68/07/72/595680772.db2.gz WZKPZFNFNPJDRE-MAUKXSAKSA-N 1 3 346.475 1.568 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853307081 595732447 /nfs/dbraw/zinc/73/24/47/595732447.db2.gz JHRKMBZWQYNONW-GOSISDBHSA-N 1 3 331.464 1.702 20 0 EDADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941270 /nfs/dbraw/zinc/94/12/70/595941270.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 1 3 349.523 1.692 20 0 EDADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941273 /nfs/dbraw/zinc/94/12/73/595941273.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 1 3 349.523 1.692 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029172 /nfs/dbraw/zinc/02/91/72/596029172.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 1 3 348.491 1.853 20 0 EDADHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029176 /nfs/dbraw/zinc/02/91/76/596029176.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 1 3 348.491 1.853 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852107880 596046626 /nfs/dbraw/zinc/04/66/26/596046626.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 1 3 334.397 1.989 20 0 EDADHO CCOP(=O)(OCC)[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852107880 596046629 /nfs/dbraw/zinc/04/66/29/596046629.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 1 3 334.397 1.989 20 0 EDADHO Cc1ccc2nc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn2c1 ZINC000862166240 596258111 /nfs/dbraw/zinc/25/81/11/596258111.db2.gz CAILJSWMUMOSSL-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO Cc1ccc2nc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn2c1 ZINC000862166240 596258112 /nfs/dbraw/zinc/25/81/12/596258112.db2.gz CAILJSWMUMOSSL-HNNXBMFYSA-N 1 3 331.464 1.645 20 0 EDADHO CO[C@@H](CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712266 596305109 /nfs/dbraw/zinc/30/51/09/596305109.db2.gz SBMBPJJQEQXMLL-YVSFHVDLSA-N 1 3 337.464 1.449 20 0 EDADHO CN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000862725309 596396640 /nfs/dbraw/zinc/39/66/40/596396640.db2.gz KVVBPNPFSWRMNR-VGMNTSGFSA-N 1 3 331.460 1.851 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=S)NCCN(C)C ZINC000865243841 596521466 /nfs/dbraw/zinc/52/14/66/596521466.db2.gz SZHBCFPTELPJLC-NVXWUHKLSA-N 1 3 334.533 1.780 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=S)NCCN(C)C ZINC000865243841 596521468 /nfs/dbraw/zinc/52/14/68/596521468.db2.gz SZHBCFPTELPJLC-NVXWUHKLSA-N 1 3 334.533 1.780 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC[C@H]21 ZINC000868171767 596710183 /nfs/dbraw/zinc/71/01/83/596710183.db2.gz TUAXWZNWXBYEEM-KBAYOESNSA-N 1 3 344.459 1.905 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4CNCCO4)cc3)CC[C@H]21 ZINC000868171767 596710184 /nfs/dbraw/zinc/71/01/84/596710184.db2.gz TUAXWZNWXBYEEM-KBAYOESNSA-N 1 3 344.459 1.905 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCSC1 ZINC000868356517 596798945 /nfs/dbraw/zinc/79/89/45/596798945.db2.gz ZBSLBBQVCWLBKX-IJEWVQPXSA-N 1 3 326.510 1.159 20 0 EDADHO CN(C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCSC1 ZINC000868356517 596798947 /nfs/dbraw/zinc/79/89/47/596798947.db2.gz ZBSLBBQVCWLBKX-IJEWVQPXSA-N 1 3 326.510 1.159 20 0 EDADHO C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(C)CCCCCC[NH3+] ZINC000872155004 596815826 /nfs/dbraw/zinc/81/58/26/596815826.db2.gz JGKNIEVDTIVGQW-HOTGVXAUSA-N 1 3 349.475 1.782 20 0 EDADHO CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CCN(CCc2ccccn2)CC1 ZINC000872280853 596865657 /nfs/dbraw/zinc/86/56/57/596865657.db2.gz PNUCDZCNXJBXDW-GUXCAODWSA-N 1 3 342.487 1.674 20 0 EDADHO CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000872307272 596875983 /nfs/dbraw/zinc/87/59/83/596875983.db2.gz PCFZHQSQVKBMMA-SJORKVTESA-N 1 3 346.475 1.824 20 0 EDADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000866492465 596893181 /nfs/dbraw/zinc/89/31/81/596893181.db2.gz HFBCIJOEYZHJOK-CVEARBPZSA-N 1 3 341.496 1.821 20 0 EDADHO COCCOCCN(C)CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530240 597231599 /nfs/dbraw/zinc/23/15/99/597231599.db2.gz ROELLTIWIMBTBW-UHFFFAOYSA-N 1 3 349.475 1.409 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876717728 597302240 /nfs/dbraw/zinc/30/22/40/597302240.db2.gz GJVVFVNXTRTFLR-UHFFFAOYSA-N 1 3 341.459 1.535 20 0 EDADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876726043 597307382 /nfs/dbraw/zinc/30/73/82/597307382.db2.gz UOBAKXOCRXVGOD-VEODVNFMSA-N 1 3 343.471 1.994 20 0 EDADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876726042 597307528 /nfs/dbraw/zinc/30/75/28/597307528.db2.gz UOBAKXOCRXVGOD-LCGFHZEESA-N 1 3 343.471 1.994 20 0 EDADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(CN)cnn3C)C2)CC1 ZINC000876742230 597316561 /nfs/dbraw/zinc/31/65/61/597316561.db2.gz WAENDCBSPPHPBE-OAHLLOKOSA-N 1 3 333.480 1.463 20 0 EDADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CN1CC[NH2+]CC1 ZINC000877030353 597416367 /nfs/dbraw/zinc/41/63/67/597416367.db2.gz DSWAYTWRGGFVBJ-SJLPKXTDSA-N 1 3 328.460 1.035 20 0 EDADHO CN1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206796 597461992 /nfs/dbraw/zinc/46/19/92/597461992.db2.gz QGHTYEPYYNLOKT-CQSZACIVSA-N 1 3 334.468 1.149 20 0 EDADHO C[NH+]1CCC(CNC(=O)CNC[C@H]2CCCO2)(c2ccccc2)CC1 ZINC000877226761 597467371 /nfs/dbraw/zinc/46/73/71/597467371.db2.gz KOOFEJHRPQUVOU-GOSISDBHSA-N 1 3 345.487 1.535 20 0 EDADHO O=C(NC[C@H]1Cc2ccccc2CN1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877340461 597495485 /nfs/dbraw/zinc/49/54/85/597495485.db2.gz JPCHUKHJRAOEAO-MSOLQXFVSA-N 1 3 339.443 1.252 20 0 EDADHO C[C@H](CCc1cccnc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000877548670 597534146 /nfs/dbraw/zinc/53/41/46/597534146.db2.gz QTXCOQIJUDGDIG-QGZVFWFLSA-N 1 3 332.492 1.985 20 0 EDADHO COCCN(Cc1ccc2c(c1)NC(=O)CO2)CC1CC[NH+](C)CC1 ZINC000877664507 597546087 /nfs/dbraw/zinc/54/60/87/597546087.db2.gz QAPLCXXEYMYQPE-UHFFFAOYSA-N 1 3 347.459 1.808 20 0 EDADHO O=C(CC[N@@H+]1CCNCCC12CCC2)NC(=O)Nc1ccccc1 ZINC000883458632 597756540 /nfs/dbraw/zinc/75/65/40/597756540.db2.gz QYUVOFAKZYXFNC-UHFFFAOYSA-N 1 3 330.432 1.943 20 0 EDADHO O=C(CC[N@H+]1CCNCCC12CCC2)NC(=O)Nc1ccccc1 ZINC000883458632 597756544 /nfs/dbraw/zinc/75/65/44/597756544.db2.gz QYUVOFAKZYXFNC-UHFFFAOYSA-N 1 3 330.432 1.943 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664155 597990744 /nfs/dbraw/zinc/99/07/44/597990744.db2.gz MPIDGNOPYOSKJG-JKIFEVAISA-N 1 3 335.496 1.464 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C ZINC000880664155 597990746 /nfs/dbraw/zinc/99/07/46/597990746.db2.gz MPIDGNOPYOSKJG-JKIFEVAISA-N 1 3 335.496 1.464 20 0 EDADHO C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2NCCc3ccccc32)c1 ZINC000884284749 598054292 /nfs/dbraw/zinc/05/42/92/598054292.db2.gz RJYCBBPFJMRGND-IBGZPJMESA-N 1 3 339.439 1.902 20 0 EDADHO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914205652 695276614 /nfs/dbraw/zinc/27/66/14/695276614.db2.gz WFDVYJPXWCGOTQ-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)C1 ZINC000914205652 695276616 /nfs/dbraw/zinc/27/66/16/695276616.db2.gz WFDVYJPXWCGOTQ-HOTGVXAUSA-N 1 3 329.510 1.076 20 0 EDADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1CCOC1CCC1 ZINC000993759666 696352557 /nfs/dbraw/zinc/35/25/57/696352557.db2.gz MCAGODVMRNSELA-CRAIPNDOSA-N 1 3 337.508 1.866 20 0 EDADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1CCc1ccnn1C ZINC000994252532 696648803 /nfs/dbraw/zinc/64/88/03/696648803.db2.gz MEPCHNYLNRGATK-DOTOQJQBSA-N 1 3 345.491 1.028 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000916841701 696796537 /nfs/dbraw/zinc/79/65/37/696796537.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 ZINC000916841701 696796540 /nfs/dbraw/zinc/79/65/40/696796540.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 1 3 338.496 1.271 20 0 EDADHO CN1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000940008468 700110304 /nfs/dbraw/zinc/11/03/04/700110304.db2.gz ODOGJNWVCMYGFO-KRWDZBQOSA-N 1 3 345.491 1.394 20 0 EDADHO CC1([NH+]2CCC2)CCC(NC(=O)NC2CCN(CCO)CC2)CC1 ZINC000917842524 697086802 /nfs/dbraw/zinc/08/68/02/697086802.db2.gz JFVPKSOYNSWKDT-UHFFFAOYSA-N 1 3 338.496 1.149 20 0 EDADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669450 697464622 /nfs/dbraw/zinc/46/46/22/697464622.db2.gz KHPWVKAZTCWFQW-HZPDHXFCSA-N 1 3 341.446 1.954 20 0 EDADHO O=C(NCC1CN(CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031669450 697464624 /nfs/dbraw/zinc/46/46/24/697464624.db2.gz KHPWVKAZTCWFQW-HZPDHXFCSA-N 1 3 341.446 1.954 20 0 EDADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc3nccn32)CC1 ZINC000179892246 698418458 /nfs/dbraw/zinc/41/84/58/698418458.db2.gz SNDKZOJWPLYSEY-UHFFFAOYSA-N 1 3 329.448 1.224 20 0 EDADHO CC(C)c1nc(CN[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n[nH]1 ZINC000939055001 699115870 /nfs/dbraw/zinc/11/58/70/699115870.db2.gz RYCMZTXCHNWQQR-ZFWWWQNUSA-N 1 3 348.495 1.206 20 0 EDADHO Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC000939132127 699230907 /nfs/dbraw/zinc/23/09/07/699230907.db2.gz FNXKCOPGQGQFBA-RHSMWYFYSA-N 1 3 347.507 1.397 20 0 EDADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939394915 699545003 /nfs/dbraw/zinc/54/50/03/699545003.db2.gz DSQDMLLHPBVFNI-RDJZCZTQSA-N 1 3 333.480 1.089 20 0 EDADHO CCn1ccnc1CNC[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165410 701610747 /nfs/dbraw/zinc/61/07/47/701610747.db2.gz DQJIIKFDAJITGH-CVEARBPZSA-N 1 3 345.491 1.373 20 0 EDADHO Cn1ccnc1CNC[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003673 699888637 /nfs/dbraw/zinc/88/86/37/699888637.db2.gz BUVYQBUPEJHLPL-HZPDHXFCSA-N 1 3 345.491 1.423 20 0 EDADHO CC[C@H](CN1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001031875372 700352636 /nfs/dbraw/zinc/35/26/36/700352636.db2.gz PHIBQZPYNUCDCA-GOSISDBHSA-N 1 3 347.503 1.877 20 0 EDADHO Cc1ncc(CNC[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168162 701658564 /nfs/dbraw/zinc/65/85/64/701658564.db2.gz MVFUWFHYRYMNTL-CABCVRRESA-N 1 3 332.448 1.453 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940472034 700657213 /nfs/dbraw/zinc/65/72/13/700657213.db2.gz GNCLBDWVJXRCLT-KRWDZBQOSA-N 1 3 347.507 1.765 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)CC1(C)C ZINC000940785071 700895953 /nfs/dbraw/zinc/89/59/53/700895953.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)CC1(C)C ZINC000940785071 700895954 /nfs/dbraw/zinc/89/59/54/700895954.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 1 3 325.497 1.724 20 0 EDADHO C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236902 701427390 /nfs/dbraw/zinc/42/73/90/701427390.db2.gz CNVZHJFUZMMEMH-YJBOKZPZSA-N 1 3 347.503 1.959 20 0 EDADHO C[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236902 701427392 /nfs/dbraw/zinc/42/73/92/701427392.db2.gz CNVZHJFUZMMEMH-YJBOKZPZSA-N 1 3 347.503 1.959 20 0 EDADHO C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518409 706602335 /nfs/dbraw/zinc/60/23/35/706602335.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 1 3 325.472 1.999 20 0 EDADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518409 706602338 /nfs/dbraw/zinc/60/23/38/706602338.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 1 3 325.472 1.999 20 0 EDADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032205067 702043743 /nfs/dbraw/zinc/04/37/43/702043743.db2.gz NOIPJNFJPQQUSO-HNNXBMFYSA-N 1 3 331.460 1.446 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827695 702101411 /nfs/dbraw/zinc/10/14/11/702101411.db2.gz VGLKGOUJVKSVIX-BBWFWOEESA-N 1 3 347.507 1.477 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3cnn(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995827695 702101415 /nfs/dbraw/zinc/10/14/15/702101415.db2.gz VGLKGOUJVKSVIX-BBWFWOEESA-N 1 3 347.507 1.477 20 0 EDADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980612 702141544 /nfs/dbraw/zinc/14/15/44/702141544.db2.gz WQTDQHRSUKXGRR-YOEHRIQHSA-N 1 3 335.517 1.926 20 0 EDADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031980612 702141545 /nfs/dbraw/zinc/14/15/45/702141545.db2.gz WQTDQHRSUKXGRR-YOEHRIQHSA-N 1 3 335.517 1.926 20 0 EDADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000995929969 702260541 /nfs/dbraw/zinc/26/05/41/702260541.db2.gz XRIORNQRZJPQEL-SJORKVTESA-N 1 3 332.492 1.994 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cccnc3)C2)CC[N@@H+]1C ZINC000999211251 706663693 /nfs/dbraw/zinc/66/36/93/706663693.db2.gz XQLQITXMKGEDBC-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cccnc3)C2)CC[N@H+]1C ZINC000999211251 706663697 /nfs/dbraw/zinc/66/36/97/706663697.db2.gz XQLQITXMKGEDBC-FGTMMUONSA-N 1 3 330.476 1.893 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996464558 702791877 /nfs/dbraw/zinc/79/18/77/702791877.db2.gz NTRXMIXYQFDULV-KRWDZBQOSA-N 1 3 347.507 1.856 20 0 EDADHO CCn1ccnc1CNC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996464558 702791878 /nfs/dbraw/zinc/79/18/78/702791878.db2.gz NTRXMIXYQFDULV-KRWDZBQOSA-N 1 3 347.507 1.856 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518248 702853657 /nfs/dbraw/zinc/85/36/57/702853657.db2.gz IUFQMRXYLNNQDA-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO Cn1nccc1CN[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518248 702853660 /nfs/dbraw/zinc/85/36/60/702853660.db2.gz IUFQMRXYLNNQDA-HOCLYGCPSA-N 1 3 333.480 1.089 20 0 EDADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605472 702915086 /nfs/dbraw/zinc/91/50/86/702915086.db2.gz FKKBZPMDUHTYFS-SQWLQELKSA-N 1 3 331.464 1.458 20 0 EDADHO C[C@H](NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605472 702915087 /nfs/dbraw/zinc/91/50/87/702915087.db2.gz FKKBZPMDUHTYFS-SQWLQELKSA-N 1 3 331.464 1.458 20 0 EDADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665248 702967907 /nfs/dbraw/zinc/96/79/07/702967907.db2.gz AQXFTLDAXRNIHR-IAGOWNOFSA-N 1 3 347.507 1.621 20 0 EDADHO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cn1 ZINC000996676785 702975855 /nfs/dbraw/zinc/97/58/55/702975855.db2.gz IDVBIFLYMPUUQH-QGZVFWFLSA-N 1 3 331.464 1.206 20 0 EDADHO COc1ccnc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996994740 703251409 /nfs/dbraw/zinc/25/14/09/703251409.db2.gz IUWQTPUDBIGSJJ-OAHLLOKOSA-N 1 3 346.475 1.655 20 0 EDADHO CCOC1CC(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000997002566 703259256 /nfs/dbraw/zinc/25/92/56/703259256.db2.gz XBPCPISFINTWNH-KLHKWILBSA-N 1 3 337.508 1.866 20 0 EDADHO CC(C)[NH+]1CCC(C(=O)N2CCC(NCc3nccn3C)CC2)CC1 ZINC000997140262 703401823 /nfs/dbraw/zinc/40/18/23/703401823.db2.gz PZAHNDCNZORJDP-UHFFFAOYSA-N 1 3 347.507 1.621 20 0 EDADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404280 703423943 /nfs/dbraw/zinc/42/39/43/703423943.db2.gz DHHMQQRVXKXYHK-SQNIBIBYSA-N 1 3 349.519 1.963 20 0 EDADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408847 703438064 /nfs/dbraw/zinc/43/80/64/703438064.db2.gz LLCJPIPSZMNSCI-OKYOBFRVSA-N 1 3 349.519 1.674 20 0 EDADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443977 703620766 /nfs/dbraw/zinc/62/07/66/703620766.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 1 3 335.492 1.571 20 0 EDADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443977 703620767 /nfs/dbraw/zinc/62/07/67/703620767.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 1 3 335.492 1.571 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422359 703670941 /nfs/dbraw/zinc/67/09/41/703670941.db2.gz WZRYIRQDLMEPAC-CXAGYDPISA-N 1 3 348.491 1.960 20 0 EDADHO Cc1noc(C)c1CN1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997422359 703670942 /nfs/dbraw/zinc/67/09/42/703670942.db2.gz WZRYIRQDLMEPAC-CXAGYDPISA-N 1 3 348.491 1.960 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033075946 704123801 /nfs/dbraw/zinc/12/38/01/704123801.db2.gz JXTNZCBKGNAQSH-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033075946 704123803 /nfs/dbraw/zinc/12/38/03/704123803.db2.gz JXTNZCBKGNAQSH-IRXDYDNUSA-N 1 3 337.508 1.820 20 0 EDADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081614 705303117 /nfs/dbraw/zinc/30/31/17/705303117.db2.gz KQTBJISKEFPXNZ-SJLPKXTDSA-N 1 3 337.508 1.726 20 0 EDADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999834761 707468141 /nfs/dbraw/zinc/46/81/41/707468141.db2.gz VUKAXUUZASFOPZ-UHFFFAOYSA-N 1 3 336.867 1.910 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527631 /nfs/dbraw/zinc/52/76/31/706527631.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 1 3 349.519 1.820 20 0 EDADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527632 /nfs/dbraw/zinc/52/76/32/706527632.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 1 3 349.519 1.820 20 0 EDADHO CCn1cc(CC[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)cn1 ZINC000999406895 706916553 /nfs/dbraw/zinc/91/65/53/706916553.db2.gz BOPPVPGDYHWLCZ-FAEJEUNOSA-N 1 3 347.507 1.366 20 0 EDADHO Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999407903 706917701 /nfs/dbraw/zinc/91/77/01/706917701.db2.gz XUKLFBULIAIPSE-IGEOTXOUSA-N 1 3 333.480 1.292 20 0 EDADHO Cn1cc(CN[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999594604 707097761 /nfs/dbraw/zinc/09/77/61/707097761.db2.gz CMZDCNGUKWLYEP-MRXNPFEDSA-N 1 3 331.464 1.129 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000999690429 707246826 /nfs/dbraw/zinc/24/68/26/707246826.db2.gz YIUNCPMKBCYSMS-HPUBIQBYSA-N 1 3 331.464 1.206 20 0 EDADHO Cc1cc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)ncn1 ZINC000999690429 707246831 /nfs/dbraw/zinc/24/68/31/707246831.db2.gz YIUNCPMKBCYSMS-HPUBIQBYSA-N 1 3 331.464 1.206 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033278074 707344467 /nfs/dbraw/zinc/34/44/67/707344467.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 1 3 333.476 1.182 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033278074 707344469 /nfs/dbraw/zinc/34/44/69/707344469.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 1 3 333.476 1.182 20 0 EDADHO COc1ccc(F)cc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999831893 707462089 /nfs/dbraw/zinc/46/20/89/707462089.db2.gz NGTZWPRQCPVCDH-IGEOTXOUSA-N 1 3 349.450 1.865 20 0 EDADHO COc1ccc(F)cc1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999831893 707462092 /nfs/dbraw/zinc/46/20/92/707462092.db2.gz NGTZWPRQCPVCDH-IGEOTXOUSA-N 1 3 349.450 1.865 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033320990 707518077 /nfs/dbraw/zinc/51/80/77/707518077.db2.gz YXZCWGHMWQOVTF-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001033320990 707518082 /nfs/dbraw/zinc/51/80/82/707518082.db2.gz YXZCWGHMWQOVTF-IAGOWNOFSA-N 1 3 337.508 1.820 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185002 708112058 /nfs/dbraw/zinc/11/20/58/708112058.db2.gz OLHXWQPQACENTH-SJORKVTESA-N 1 3 337.508 1.819 20 0 EDADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183618 708134150 /nfs/dbraw/zinc/13/41/50/708134150.db2.gz JKYMYSHFDNKZKI-AEFFLSMTSA-N 1 3 337.508 1.820 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831892 708357420 /nfs/dbraw/zinc/35/74/20/708357420.db2.gz BFXZTJUHYBTEMO-QFBILLFUSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1ccncc1CN1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001831892 708357424 /nfs/dbraw/zinc/35/74/24/708357424.db2.gz BFXZTJUHYBTEMO-QFBILLFUSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1cncc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001001833287 708359540 /nfs/dbraw/zinc/35/95/40/708359540.db2.gz KPBHMDCCEHONFC-QFBILLFUSA-N 1 3 344.503 1.916 20 0 EDADHO Cc1cncc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001001833287 708359543 /nfs/dbraw/zinc/35/95/43/708359543.db2.gz KPBHMDCCEHONFC-QFBILLFUSA-N 1 3 344.503 1.916 20 0 EDADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CCOC)C2)C1 ZINC001033932627 709090563 /nfs/dbraw/zinc/09/05/63/709090563.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CCOC)C2)C1 ZINC001033932627 709090565 /nfs/dbraw/zinc/09/05/65/709090565.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 1 3 325.497 1.678 20 0 EDADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(C[C@H](C)O)C1 ZINC001034004686 709244362 /nfs/dbraw/zinc/24/43/62/709244362.db2.gz PJVFJQZDVKKNFX-RDJZCZTQSA-N 1 3 325.497 1.410 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002851500 709461978 /nfs/dbraw/zinc/46/19/78/709461978.db2.gz JDUXTUZHUVOMTP-SJLPKXTDSA-N 1 3 347.507 1.421 20 0 EDADHO Cc1cc(C)n(CCN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)n1 ZINC001002851500 709461979 /nfs/dbraw/zinc/46/19/79/709461979.db2.gz JDUXTUZHUVOMTP-SJLPKXTDSA-N 1 3 347.507 1.421 20 0 EDADHO CN(C)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000702403849 709553611 /nfs/dbraw/zinc/55/36/11/709553611.db2.gz WKSRLCOGKGMXPV-ROUUACIJSA-N 1 3 344.503 1.294 20 0 EDADHO CN(C)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000702403849 709553613 /nfs/dbraw/zinc/55/36/13/709553613.db2.gz WKSRLCOGKGMXPV-ROUUACIJSA-N 1 3 344.503 1.294 20 0 EDADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003331921 710256578 /nfs/dbraw/zinc/25/65/78/710256578.db2.gz JAKMFSAKFQYWBG-IPCDKGFNSA-N 1 3 347.503 1.620 20 0 EDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646818 710323368 /nfs/dbraw/zinc/32/33/68/710323368.db2.gz WTUKHODBBSXMSC-BRWVUGGUSA-N 1 3 348.495 1.168 20 0 EDADHO C[C@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647527 710323985 /nfs/dbraw/zinc/32/39/85/710323985.db2.gz KAFPXZVPBFAQSC-BQJWPVKWSA-N 1 3 345.491 1.895 20 0 EDADHO C[C@H](N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647527 710323987 /nfs/dbraw/zinc/32/39/87/710323987.db2.gz KAFPXZVPBFAQSC-BQJWPVKWSA-N 1 3 345.491 1.895 20 0 EDADHO Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)ncn1 ZINC001034734879 710917642 /nfs/dbraw/zinc/91/76/42/710917642.db2.gz BECVJINWIUSWEN-BRWVUGGUSA-N 1 3 345.491 1.786 20 0 EDADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001004056224 711357830 /nfs/dbraw/zinc/35/78/30/711357830.db2.gz OPXUQHWLZIZBRS-KBXCAEBGSA-N 1 3 332.448 1.268 20 0 EDADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743174 711367776 /nfs/dbraw/zinc/36/77/76/711367776.db2.gz XPMPSAXEHXEXIR-URSIVYNOSA-N 1 3 333.476 1.182 20 0 EDADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388799 711432527 /nfs/dbraw/zinc/43/25/27/711432527.db2.gz FYTUUKZXYQLHJC-XOUADPBQSA-N 1 3 325.478 1.721 20 0 EDADHO COc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sn1 ZINC000922388799 711432529 /nfs/dbraw/zinc/43/25/29/711432529.db2.gz FYTUUKZXYQLHJC-XOUADPBQSA-N 1 3 325.478 1.721 20 0 EDADHO Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)s1 ZINC001034958810 711432788 /nfs/dbraw/zinc/43/27/88/711432788.db2.gz MFDZJLJZAUXHJK-ZBFHGGJFSA-N 1 3 336.505 1.872 20 0 EDADHO CN(C)c1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004142079 711542058 /nfs/dbraw/zinc/54/20/58/711542058.db2.gz HCDMZJIQDMKDQQ-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO CN(C)c1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004142079 711542060 /nfs/dbraw/zinc/54/20/60/711542060.db2.gz HCDMZJIQDMKDQQ-KRWDZBQOSA-N 1 3 344.503 1.785 20 0 EDADHO CCNc1nc(NC(C)(C)C)nc(N(C)CCC[NH+]2CCCC2)n1 ZINC000557671158 306232861 /nfs/dbraw/zinc/23/28/61/306232861.db2.gz MRJQTBZQLRNRLA-UHFFFAOYSA-N 1 3 335.500 1.858 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232884 /nfs/dbraw/zinc/23/28/84/306232884.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 1 3 345.487 1.736 20 0 EDADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232885 /nfs/dbraw/zinc/23/28/85/306232885.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 1 3 345.487 1.736 20 0 EDADHO C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]2CNCCO2)CC1 ZINC000166852958 530050465 /nfs/dbraw/zinc/05/04/65/530050465.db2.gz FVUMHGXCCUWSRM-OAHLLOKOSA-N 1 3 332.448 1.510 20 0 EDADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000333946230 539661932 /nfs/dbraw/zinc/66/19/32/539661932.db2.gz UKAGNBMGDSPSLP-LSDHHAIUSA-N 1 3 340.537 1.788 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643136753 452045424 /nfs/dbraw/zinc/04/54/24/452045424.db2.gz VGPXCSKOVONCKH-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC(OC)CC1 ZINC000643136753 452045418 /nfs/dbraw/zinc/04/54/18/452045418.db2.gz VGPXCSKOVONCKH-HNNXBMFYSA-N 1 3 328.501 1.517 20 0 EDADHO NC(=O)[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984226 539911484 /nfs/dbraw/zinc/91/14/84/539911484.db2.gz PQZSPDDLXVCTKE-QGZVFWFLSA-N 1 3 331.460 1.859 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000369640565 291059367 /nfs/dbraw/zinc/05/93/67/291059367.db2.gz JWDXERCFRANXHZ-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO C[C@H]1C[C@@H](N(C)C(=O)CC2(N3CCOCC3)CCCC2)CC[N@H+]1C ZINC000369640565 291059370 /nfs/dbraw/zinc/05/93/70/291059370.db2.gz JWDXERCFRANXHZ-IRXDYDNUSA-N 1 3 337.508 1.963 20 0 EDADHO CN1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000333781408 283123148 /nfs/dbraw/zinc/12/31/48/283123148.db2.gz KWPCYUXHRKBDSH-IXDOHACOSA-N 1 3 332.448 1.191 20 0 EDADHO Cc1noc(C)c1CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051281078 138134662 /nfs/dbraw/zinc/13/46/62/138134662.db2.gz VYVBPTWHRSDQFC-UHFFFAOYSA-N 1 3 349.479 1.649 20 0 EDADHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CNCCO1 ZINC000563560532 306339069 /nfs/dbraw/zinc/33/90/69/306339069.db2.gz COWDVAQPNWMPNZ-QGZVFWFLSA-N 1 3 332.448 1.070 20 0 EDADHO O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000090231565 138278295 /nfs/dbraw/zinc/27/82/95/138278295.db2.gz XDOYAXAPARLVOT-GJZGRUSLSA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090231565 138278296 /nfs/dbraw/zinc/27/82/96/138278296.db2.gz XDOYAXAPARLVOT-GJZGRUSLSA-N 1 3 327.494 1.159 20 0 EDADHO O=S(=O)(C1CC1)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090231565 138278297 /nfs/dbraw/zinc/27/82/97/138278297.db2.gz XDOYAXAPARLVOT-GJZGRUSLSA-N 1 3 327.494 1.159 20 0 EDADHO CCN1CCC([NH+]2CCC(C(=O)NCC3=CCN(C)CC3)CC2)CC1 ZINC000565195523 306377355 /nfs/dbraw/zinc/37/73/55/306377355.db2.gz RUJXUUISOIHKMS-UHFFFAOYSA-N 1 3 348.535 1.561 20 0 EDADHO C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)N1CCC[C@@H](C)C1 ZINC000414708405 304130750 /nfs/dbraw/zinc/13/07/50/304130750.db2.gz QHGVXHDRJYKFIL-KGLIPLIRSA-N 1 3 332.448 1.320 20 0 EDADHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C12CCC[NH+]1CCC2 ZINC000365978060 284008322 /nfs/dbraw/zinc/00/83/22/284008322.db2.gz KRMQWHSHELKTSR-GOSISDBHSA-N 1 3 343.471 1.498 20 0 EDADHO COc1ccc(S(=O)(=O)N2CCC(NCC(C)(C)[NH3+])CC2)cc1 ZINC000414811299 304143743 /nfs/dbraw/zinc/14/37/43/304143743.db2.gz ZASTYAYOVNTUQF-UHFFFAOYSA-N 1 3 341.477 1.175 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N(CCN(C)C)C2CCCC2)cc1 ZINC000415079790 304158257 /nfs/dbraw/zinc/15/82/57/304158257.db2.gz KPHUKDROVKTMIL-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000415137094 304163105 /nfs/dbraw/zinc/16/31/05/304163105.db2.gz DVGMERROUFWEDX-CJNGLKHVSA-N 1 3 330.432 1.040 20 0 EDADHO CN(C)CCNC(=O)C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000195519321 139019389 /nfs/dbraw/zinc/01/93/89/139019389.db2.gz YYNNXPPDHHENRD-UHFFFAOYSA-N 1 3 339.402 1.345 20 0 EDADHO CN1CCN(Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237215554 139044551 /nfs/dbraw/zinc/04/45/51/139044551.db2.gz LLMQGKXLDOZOAB-LJQANCHMSA-N 1 3 330.476 1.050 20 0 EDADHO C[C@@H]1CN(CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237400619 139050078 /nfs/dbraw/zinc/05/00/78/139050078.db2.gz JRKNGZRJVYDUEU-HZPDHXFCSA-N 1 3 337.508 1.724 20 0 EDADHO CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)N(C)C ZINC000111100875 220100031 /nfs/dbraw/zinc/10/00/31/220100031.db2.gz VXIVTJXXSNXMCS-MRXNPFEDSA-N 1 3 325.497 1.724 20 0 EDADHO O=C(C[C@@H]1CSCCN1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000238043858 139067386 /nfs/dbraw/zinc/06/73/86/139067386.db2.gz QCZUBHNXAKVJDS-OAHLLOKOSA-N 1 3 341.521 1.185 20 0 EDADHO O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000238019085 139066689 /nfs/dbraw/zinc/06/66/89/139066689.db2.gz FDEOQIBJHJZHIZ-KRWDZBQOSA-N 1 3 330.476 1.315 20 0 EDADHO CNC(=O)c1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000568728269 306487453 /nfs/dbraw/zinc/48/74/53/306487453.db2.gz JZEQUUNXMNGXER-QZTJIDSGSA-N 1 3 331.460 1.765 20 0 EDADHO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 ZINC000415403428 304214421 /nfs/dbraw/zinc/21/44/21/304214421.db2.gz SABBTHFOEQMCIX-UHFFFAOYSA-N 1 3 346.475 1.453 20 0 EDADHO CCN(CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000415433289 304219374 /nfs/dbraw/zinc/21/93/74/304219374.db2.gz AKPWIFPOWDELDF-PBHICJAKSA-N 1 3 346.475 1.663 20 0 EDADHO [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)O1 ZINC000261640704 139213619 /nfs/dbraw/zinc/21/36/19/139213619.db2.gz DKFJMMRRFJSJCS-MSOLQXFVSA-N 1 3 331.460 1.316 20 0 EDADHO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1CN1CCC(O)CC1 ZINC000261858372 139231855 /nfs/dbraw/zinc/23/18/55/139231855.db2.gz PMBGMLQFODNDFU-MRXNPFEDSA-N 1 3 345.487 1.649 20 0 EDADHO Cn1cc(-c2ccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098274 139250764 /nfs/dbraw/zinc/25/07/64/139250764.db2.gz IILJCTPMXPRUBQ-OAHLLOKOSA-N 1 3 331.489 1.628 20 0 EDADHO CS[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H]1N(C)C ZINC000415949298 251037994 /nfs/dbraw/zinc/03/79/94/251037994.db2.gz VUKCRERKJRADRL-LSDHHAIUSA-N 1 3 338.477 1.533 20 0 EDADHO CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)N1CCc2ccccc2C1 ZINC000417004531 251127410 /nfs/dbraw/zinc/12/74/10/251127410.db2.gz CNPDEYIMPJFVMY-BMGDILEWSA-N 1 3 330.476 1.954 20 0 EDADHO COCC[NH2+]CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417221194 251148030 /nfs/dbraw/zinc/14/80/30/251148030.db2.gz NMPWCFGUDVBRKS-DOTOQJQBSA-N 1 3 334.464 1.357 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2)CC1 ZINC000417443076 251176418 /nfs/dbraw/zinc/17/64/18/251176418.db2.gz XAFJGUMDIBJGBF-KRWDZBQOSA-N 1 3 334.464 1.487 20 0 EDADHO CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H]3COCCN3)cc2)CC1 ZINC000262359956 139272937 /nfs/dbraw/zinc/27/29/37/139272937.db2.gz KFLDRNBDAUGROF-GOSISDBHSA-N 1 3 346.475 1.141 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417585353 251198299 /nfs/dbraw/zinc/19/82/99/251198299.db2.gz OUVSYPURZKVJHK-OAHLLOKOSA-N 1 3 326.485 1.400 20 0 EDADHO [NH3+]CCCCNC(=O)NCc1ccc(OCCN2CCCC2)cc1 ZINC000417589263 251200329 /nfs/dbraw/zinc/20/03/29/251200329.db2.gz GSYNECNIMYNKEF-UHFFFAOYSA-N 1 3 334.464 1.699 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000417633906 251210927 /nfs/dbraw/zinc/21/09/27/251210927.db2.gz YELRJLQWFFDPHC-OAHLLOKOSA-N 1 3 340.537 1.741 20 0 EDADHO C[NH2+]C[C@H](C)CNC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000417629722 251208848 /nfs/dbraw/zinc/20/88/48/251208848.db2.gz SXIZGQHGHSAUFW-HNNXBMFYSA-N 1 3 342.553 1.893 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417756120 251258292 /nfs/dbraw/zinc/25/82/92/251258292.db2.gz RSRIXUZLJGWJKH-INIZCTEOSA-N 1 3 326.485 1.128 20 0 EDADHO CCN1CCN(C[C@@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761451 251259614 /nfs/dbraw/zinc/25/96/14/251259614.db2.gz ZCGMEOWRRDVMSQ-DLBZAZTESA-N 1 3 339.528 1.091 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417806367 251277060 /nfs/dbraw/zinc/27/70/60/251277060.db2.gz IMQDXEFMHVYMLZ-DOTOQJQBSA-N 1 3 340.512 1.787 20 0 EDADHO CC(C)OCCN1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417806661 251279230 /nfs/dbraw/zinc/27/92/30/251279230.db2.gz IZCKXLULQYDCEA-JKSUJKDBSA-N 1 3 340.512 1.645 20 0 EDADHO CCn1nncc1CNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000418103951 251322497 /nfs/dbraw/zinc/32/24/97/251322497.db2.gz UFEMYAJYWSCROI-UHFFFAOYSA-N 1 3 329.448 1.415 20 0 EDADHO C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434100 251370504 /nfs/dbraw/zinc/37/05/04/251370504.db2.gz VEQMNLVFBMETBF-YJBOKZPZSA-N 1 3 346.475 1.581 20 0 EDADHO CN(Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128213 251337734 /nfs/dbraw/zinc/33/77/34/251337734.db2.gz AGJMIGFVRPQQCU-OTWHNJEPSA-N 1 3 342.487 1.758 20 0 EDADHO CN(C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000418154875 251347762 /nfs/dbraw/zinc/34/77/62/251347762.db2.gz KMEFCEYYZVRLQL-KRWDZBQOSA-N 1 3 330.476 1.900 20 0 EDADHO COC[C@]1(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CCC[NH2+]1 ZINC000418192905 251352623 /nfs/dbraw/zinc/35/26/23/251352623.db2.gz ZEDHPODBVPPZMJ-VDZJLULYSA-N 1 3 348.491 1.746 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418383344 251363432 /nfs/dbraw/zinc/36/34/32/251363432.db2.gz NMJPYMRBIUUBNW-AEFFLSMTSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717861 251394698 /nfs/dbraw/zinc/39/46/98/251394698.db2.gz TUOPDLXPMSJRIJ-QWHCGFSZSA-N 1 3 332.370 1.710 20 0 EDADHO COc1cnccc1N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418721180 251397009 /nfs/dbraw/zinc/39/70/09/251397009.db2.gz LXQYUUTZUGXOAX-CABCVRRESA-N 1 3 347.463 1.439 20 0 EDADHO O=C(C[NH2+]CC1CC1)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000262641477 139292563 /nfs/dbraw/zinc/29/25/63/139292563.db2.gz KUNURHVIOIUVGT-UHFFFAOYSA-N 1 3 331.460 1.259 20 0 EDADHO CCCN(CCN(CC)CC)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423414742 252054289 /nfs/dbraw/zinc/05/42/89/252054289.db2.gz NUKWIBSSNPPXPE-MRXNPFEDSA-N 1 3 340.512 1.154 20 0 EDADHO C[C@@H](NCc1ccc(C(=O)NCCN2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908041 252018507 /nfs/dbraw/zinc/01/85/07/252018507.db2.gz CUPKOJPLQCEIOQ-OAHLLOKOSA-N 1 3 330.476 1.210 20 0 EDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422909648 252020816 /nfs/dbraw/zinc/02/08/16/252020816.db2.gz GMVSTYOWBYTOEU-IEBWSBKVSA-N 1 3 344.503 1.703 20 0 EDADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000424437033 252230532 /nfs/dbraw/zinc/23/05/32/252230532.db2.gz IHKJSKGDCYFTIQ-INIZCTEOSA-N 1 3 334.464 1.485 20 0 EDADHO CCN1CCN(CCCNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425901784 252313327 /nfs/dbraw/zinc/31/33/27/252313327.db2.gz QJJZBGFTMBJSKU-UHFFFAOYSA-N 1 3 335.496 1.259 20 0 EDADHO O[C@@H]1C[NH2+]C[C@H]1CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230662 139329723 /nfs/dbraw/zinc/32/97/23/139329723.db2.gz NICBEZFNCSIMFO-YVEFUNNKSA-N 1 3 341.858 1.613 20 0 EDADHO c1cc2c(ncnc2NCCCN2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000263753025 139357810 /nfs/dbraw/zinc/35/78/10/139357810.db2.gz GTYYHTJEFFPQSY-UHFFFAOYSA-N 1 3 337.431 1.977 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959094 285245981 /nfs/dbraw/zinc/24/59/81/285245981.db2.gz UETHYTCTTWXEPB-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959094 285245983 /nfs/dbraw/zinc/24/59/83/285245983.db2.gz UETHYTCTTWXEPB-CVEARBPZSA-N 1 3 340.512 1.611 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccnn1C ZINC000421757188 285247792 /nfs/dbraw/zinc/24/77/92/285247792.db2.gz MHNXJFMMRWZZQH-HZPDHXFCSA-N 1 3 335.496 1.398 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccnn1C ZINC000421757188 285247794 /nfs/dbraw/zinc/24/77/94/285247794.db2.gz MHNXJFMMRWZZQH-HZPDHXFCSA-N 1 3 335.496 1.398 20 0 EDADHO C[NH+](C)C/C=C\C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000491865816 255153494 /nfs/dbraw/zinc/15/34/94/255153494.db2.gz IKFZSZIDPKQTTP-ARJAWSKDSA-N 1 3 331.460 1.377 20 0 EDADHO CC(C)(C)OC(=O)N1CC[C@@](C)(CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000495336890 255281782 /nfs/dbraw/zinc/28/17/82/255281782.db2.gz NVFCBKPNKONSKA-YJBOKZPZSA-N 1 3 341.496 1.680 20 0 EDADHO CCOCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000494563254 255253780 /nfs/dbraw/zinc/25/37/80/255253780.db2.gz SYDHNLPIWXJGHG-UHFFFAOYSA-N 1 3 347.503 1.983 20 0 EDADHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CCN(CCn2cccn2)CC1 ZINC000494714634 255259349 /nfs/dbraw/zinc/25/93/49/255259349.db2.gz XRNPQQGEQQWEGT-INIZCTEOSA-N 1 3 333.480 1.338 20 0 EDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740398 255260106 /nfs/dbraw/zinc/26/01/06/255260106.db2.gz PGVLWTMRVMWRGS-HUUCEWRRSA-N 1 3 334.464 1.511 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cccc3c2OCCO3)CC1 ZINC000264272421 139392195 /nfs/dbraw/zinc/39/21/95/139392195.db2.gz AGEIOMYZAQMHQY-HNNXBMFYSA-N 1 3 334.460 1.982 20 0 EDADHO C[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1cccc(OCCN(C)C)c1 ZINC000154961315 533498414 /nfs/dbraw/zinc/49/84/14/533498414.db2.gz FFTQVUXVZUSITQ-ZWKOTPCHSA-N 1 3 348.535 1.914 20 0 EDADHO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000571180706 306560142 /nfs/dbraw/zinc/56/01/42/306560142.db2.gz NVDHIJYUPJRTCU-UHFFFAOYSA-N 1 3 345.491 1.480 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)CC[N@@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299562 /nfs/dbraw/zinc/29/95/62/304299562.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 1 3 343.471 1.366 20 0 EDADHO CN1CC[C@@H]2OCCN(C(=O)CC[N@H+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299564 /nfs/dbraw/zinc/29/95/64/304299564.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 1 3 343.471 1.366 20 0 EDADHO Cc1nn2c(CNCC3(O)CC[NH+](C(C)C)CC3)c(C)nc2s1 ZINC000271229138 140260229 /nfs/dbraw/zinc/26/02/29/140260229.db2.gz PXOZFWMPZORCNF-UHFFFAOYSA-N 1 3 337.493 1.733 20 0 EDADHO CC[NH+]1CCN(c2ccc(NC(=O)N3CCNC[C@@H]3C)c(C)c2)CC1 ZINC000333079584 141260044 /nfs/dbraw/zinc/26/00/44/141260044.db2.gz ANVYCNWXKFRTKN-INIZCTEOSA-N 1 3 345.491 1.963 20 0 EDADHO C[C@H]1NCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000333627514 141347152 /nfs/dbraw/zinc/34/71/52/141347152.db2.gz GBBGZHXKFPDSEG-AHEZYBDSSA-N 1 3 348.466 1.911 20 0 EDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000339851172 142177320 /nfs/dbraw/zinc/17/73/20/142177320.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 1 3 341.544 1.288 20 0 EDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000339851172 142177322 /nfs/dbraw/zinc/17/73/22/142177322.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 1 3 341.544 1.288 20 0 EDADHO CCC[NH+](CCC)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H](N(C)C)C1 ZINC000343029678 142789153 /nfs/dbraw/zinc/78/91/53/142789153.db2.gz UBKHZAZVJOXERI-HZPDHXFCSA-N 1 3 340.512 1.023 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006639 /nfs/dbraw/zinc/00/66/39/143006639.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 1 3 345.487 1.591 20 0 EDADHO COCCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006640 /nfs/dbraw/zinc/00/66/40/143006640.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 1 3 345.487 1.591 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)N(C)C1 ZINC000345666400 143118897 /nfs/dbraw/zinc/11/88/97/143118897.db2.gz NIGJYNPCDHIYNW-HZPDHXFCSA-N 1 3 328.501 1.466 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)N(C)C1 ZINC000346248457 143183366 /nfs/dbraw/zinc/18/33/66/143183366.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 1 3 340.512 1.610 20 0 EDADHO CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)N(C)C1 ZINC000346248457 143183367 /nfs/dbraw/zinc/18/33/67/143183367.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 1 3 340.512 1.610 20 0 EDADHO C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000416843311 304351159 /nfs/dbraw/zinc/35/11/59/304351159.db2.gz OKUAVWLGDZNIKZ-MSOLQXFVSA-N 1 3 330.476 1.902 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000416965682 304356702 /nfs/dbraw/zinc/35/67/02/304356702.db2.gz DKGUSEXEPYTGRW-KRWDZBQOSA-N 1 3 348.491 1.911 20 0 EDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416972747 304358035 /nfs/dbraw/zinc/35/80/35/304358035.db2.gz SUZVJAJKLURKBV-NVXWUHKLSA-N 1 3 348.491 1.896 20 0 EDADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCCN(C)C)cc2)C1 ZINC000416972746 304358087 /nfs/dbraw/zinc/35/80/87/304358087.db2.gz SUZVJAJKLURKBV-DOTOQJQBSA-N 1 3 348.491 1.896 20 0 EDADHO C[NH2+][C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416972526 304358212 /nfs/dbraw/zinc/35/82/12/304358212.db2.gz IPDWEIZKMJALBA-GOSISDBHSA-N 1 3 330.476 1.697 20 0 EDADHO [NH3+]C[C@@H]1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)C1 ZINC000416972487 304358316 /nfs/dbraw/zinc/35/83/16/304358316.db2.gz ILXKBNQDNOGLRK-KRWDZBQOSA-N 1 3 330.476 1.684 20 0 EDADHO CN(C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000416974145 304358769 /nfs/dbraw/zinc/35/87/69/304358769.db2.gz WJHDURLOPCZLSO-JQHSSLGASA-N 1 3 346.475 1.506 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000354678855 149916820 /nfs/dbraw/zinc/91/68/20/149916820.db2.gz WMRSNIDELPCFMW-SJORKVTESA-N 1 3 346.475 1.184 20 0 EDADHO CCOC(=O)[C@](C)(O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355068569 150101629 /nfs/dbraw/zinc/10/16/29/150101629.db2.gz ZVSKFTZMTVWQIF-GOSISDBHSA-N 1 3 326.481 1.889 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN(C)CC1 ZINC000357734850 151131697 /nfs/dbraw/zinc/13/16/97/151131697.db2.gz WXGOOHFXZQPYHW-HUUCEWRRSA-N 1 3 340.537 1.740 20 0 EDADHO CSC1(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN(C)CC1 ZINC000357734850 151131699 /nfs/dbraw/zinc/13/16/99/151131699.db2.gz WXGOOHFXZQPYHW-HUUCEWRRSA-N 1 3 340.537 1.740 20 0 EDADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357921152 151196805 /nfs/dbraw/zinc/19/68/05/151196805.db2.gz PREFPLMWYVKBCD-IAGOWNOFSA-N 1 3 341.544 1.432 20 0 EDADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000357921152 151196807 /nfs/dbraw/zinc/19/68/07/151196807.db2.gz PREFPLMWYVKBCD-IAGOWNOFSA-N 1 3 341.544 1.432 20 0 EDADHO CCCN(CCN1CCN(CC)CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000358487215 151392267 /nfs/dbraw/zinc/39/22/67/151392267.db2.gz VKOZFKKMVSZRFA-UHFFFAOYSA-N 1 3 339.528 1.140 20 0 EDADHO COc1ccccc1CNC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358497787 151395459 /nfs/dbraw/zinc/39/54/59/151395459.db2.gz KOZTWJAYQWBVJQ-OAHLLOKOSA-N 1 3 331.460 1.775 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000360412839 152029092 /nfs/dbraw/zinc/02/90/92/152029092.db2.gz IPWUICMZKGSWRP-QGZVFWFLSA-N 1 3 342.553 1.987 20 0 EDADHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182207 152327986 /nfs/dbraw/zinc/32/79/86/152327986.db2.gz XCCYSCMQKREGEI-LBPRGKRZSA-N 1 3 330.423 1.882 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000361365407 152373191 /nfs/dbraw/zinc/37/31/91/152373191.db2.gz FACFKELDEFUTDS-INIZCTEOSA-N 1 3 333.480 1.441 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(CCN3CCCCC3)c2)C1 ZINC000361365407 152373194 /nfs/dbraw/zinc/37/31/94/152373194.db2.gz FACFKELDEFUTDS-INIZCTEOSA-N 1 3 333.480 1.441 20 0 EDADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1CCN(C)CC1 ZINC000363785821 153056996 /nfs/dbraw/zinc/05/69/96/153056996.db2.gz PKHXOUOFTVAPTG-PKOBYXMFSA-N 1 3 344.503 1.261 20 0 EDADHO COCC1(CNC(=O)NCCN(C)Cc2ccccc2)CC[NH2+]CC1 ZINC000417233090 304386577 /nfs/dbraw/zinc/38/65/77/304386577.db2.gz RJFRCFMXOUEYPS-UHFFFAOYSA-N 1 3 348.491 1.434 20 0 EDADHO CCCCOC(=O)[C@H](C)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367623941 154204280 /nfs/dbraw/zinc/20/42/80/154204280.db2.gz SCURCJLFRINIDX-DOTOQJQBSA-N 1 3 325.497 1.819 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417342106 304392558 /nfs/dbraw/zinc/39/25/58/304392558.db2.gz CBZYODYAFARSMP-UHFFFAOYSA-N 1 3 348.491 1.816 20 0 EDADHO NC1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)Cc2ccccc2C1 ZINC000372228313 156277754 /nfs/dbraw/zinc/27/77/54/156277754.db2.gz RQPBPUBHSIQCSF-QZTJIDSGSA-N 1 3 339.414 1.575 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417547841 304404785 /nfs/dbraw/zinc/40/47/85/304404785.db2.gz PIIWIGWXNDPYKV-HOCLYGCPSA-N 1 3 340.512 1.693 20 0 EDADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1)N(C)C ZINC000418183072 304461233 /nfs/dbraw/zinc/46/12/33/304461233.db2.gz NUTQGURRJGRKCO-JZXOWHBKSA-N 1 3 348.491 1.745 20 0 EDADHO CSC1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CCN(C)CC1 ZINC000418205745 304463542 /nfs/dbraw/zinc/46/35/42/304463542.db2.gz ZSVINVWOZKMYIM-AWEZNQCLSA-N 1 3 328.526 1.645 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000073677523 287263637 /nfs/dbraw/zinc/26/36/37/287263637.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CCN1CCN(CCCCNC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000073677523 287263640 /nfs/dbraw/zinc/26/36/40/287263640.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 1 3 339.528 1.188 20 0 EDADHO CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)N1CCN(C)CC1 ZINC000075182235 287275930 /nfs/dbraw/zinc/27/59/30/287275930.db2.gz JMCVADDLSDCNKP-LJQANCHMSA-N 1 3 346.519 1.750 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079733281 287302461 /nfs/dbraw/zinc/30/24/61/287302461.db2.gz NSJAXYHNDWBLQP-ROUUACIJSA-N 1 3 344.503 1.943 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079733281 287302464 /nfs/dbraw/zinc/30/24/64/287302464.db2.gz NSJAXYHNDWBLQP-ROUUACIJSA-N 1 3 344.503 1.943 20 0 EDADHO O=C(NCC1(N2CCSCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000168878489 226224724 /nfs/dbraw/zinc/22/47/24/226224724.db2.gz KWTJSNUREYKJMR-UHFFFAOYSA-N 1 3 325.522 1.854 20 0 EDADHO COC1CCC(N(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000665757630 452323740 /nfs/dbraw/zinc/32/37/40/452323740.db2.gz QUAGWKXZMWLJJF-GTPINHCMSA-N 1 3 342.528 1.857 20 0 EDADHO COC1CCC(N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000665757630 452323752 /nfs/dbraw/zinc/32/37/52/452323752.db2.gz QUAGWKXZMWLJJF-GTPINHCMSA-N 1 3 342.528 1.857 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCCc1ccsc1 ZINC000663656765 452397831 /nfs/dbraw/zinc/39/78/31/452397831.db2.gz BWSHDTVVMMYFHM-AWEZNQCLSA-N 1 3 326.510 1.862 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCCc1ccsc1 ZINC000663656765 452397839 /nfs/dbraw/zinc/39/78/39/452397839.db2.gz BWSHDTVVMMYFHM-AWEZNQCLSA-N 1 3 326.510 1.862 20 0 EDADHO CN(C)[C@H](CNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1)c1ccccc1 ZINC000274605077 268167888 /nfs/dbraw/zinc/16/78/88/268167888.db2.gz MJVBJNAUTLJRHM-YZGWKJHDSA-N 1 3 345.487 1.953 20 0 EDADHO CN(C)Cc1cccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000278937726 273274004 /nfs/dbraw/zinc/27/40/04/273274004.db2.gz FUHJKEPPPAFYDK-OAHLLOKOSA-N 1 3 327.432 1.478 20 0 EDADHO CCC[C@H](C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)N(C)C ZINC000367454790 276281597 /nfs/dbraw/zinc/28/15/97/276281597.db2.gz WPEREMXRTRDSTF-GOSISDBHSA-N 1 3 338.540 1.593 20 0 EDADHO C[N@@H+]1CCCN(c2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000269304909 277052375 /nfs/dbraw/zinc/05/23/75/277052375.db2.gz SMHYPRKUMBQAQD-GOSISDBHSA-N 1 3 346.475 1.536 20 0 EDADHO C[N@H+]1CCCN(c2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000269304909 277052376 /nfs/dbraw/zinc/05/23/76/277052376.db2.gz SMHYPRKUMBQAQD-GOSISDBHSA-N 1 3 346.475 1.536 20 0 EDADHO COC[C@@]1(CNC(=O)NCCCN(C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875547 277256472 /nfs/dbraw/zinc/25/64/72/277256472.db2.gz RDWQPMDUXWDZLX-IBGZPJMESA-N 1 3 348.491 1.576 20 0 EDADHO C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H](N)c1ccccc1 ZINC000262774922 278138477 /nfs/dbraw/zinc/13/84/77/278138477.db2.gz KRBZEJMGDQVJQB-LESCRADOSA-N 1 3 346.475 1.169 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000341242583 279302567 /nfs/dbraw/zinc/30/25/67/279302567.db2.gz WZHOCNGZJZKFIK-IXDOHACOSA-N 1 3 340.512 1.469 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000341242583 279302569 /nfs/dbraw/zinc/30/25/69/279302569.db2.gz WZHOCNGZJZKFIK-IXDOHACOSA-N 1 3 340.512 1.469 20 0 EDADHO C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000286966488 288127369 /nfs/dbraw/zinc/12/73/69/288127369.db2.gz DWXHVWJQNMPZIA-INIZCTEOSA-N 1 3 332.492 1.943 20 0 EDADHO O=C(Nc1ccc2c(c1F)CCNC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424163359 280029653 /nfs/dbraw/zinc/02/96/53/280029653.db2.gz DLBQWGZNGWSLKI-LBPRGKRZSA-N 1 3 344.394 1.240 20 0 EDADHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168330563 288193418 /nfs/dbraw/zinc/19/34/18/288193418.db2.gz YHUJCHMFPWDQDN-SQNIBIBYSA-N 1 3 339.524 1.576 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000331224460 289224732 /nfs/dbraw/zinc/22/47/32/289224732.db2.gz XDQBPMOAPMTDTN-HZPDHXFCSA-N 1 3 339.505 1.899 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N2CCCC2)cc1 ZINC000416829046 295241837 /nfs/dbraw/zinc/24/18/37/295241837.db2.gz SVVXMRSGEXCSEF-PBHICJAKSA-N 1 3 334.464 1.869 20 0 EDADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418527892 304508789 /nfs/dbraw/zinc/50/87/89/304508789.db2.gz QKVBIOOQPRZOCW-OAHLLOKOSA-N 1 3 326.485 1.128 20 0 EDADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000418607030 304518189 /nfs/dbraw/zinc/51/81/89/304518189.db2.gz ZXHHTWSRYVRYJD-YOEHRIQHSA-N 1 3 336.455 1.897 20 0 EDADHO C[C@H]1CN(CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370595922 300251509 /nfs/dbraw/zinc/25/15/09/300251509.db2.gz AUWASVYPQLOVEN-IRXDYDNUSA-N 1 3 349.519 1.963 20 0 EDADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000377565981 300573135 /nfs/dbraw/zinc/57/31/35/300573135.db2.gz UOWWUCZGLYNSNC-HUUCEWRRSA-N 1 3 325.522 1.852 20 0 EDADHO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751275 447321458 /nfs/dbraw/zinc/32/14/58/447321458.db2.gz ABVQKBMBPGLPJU-ZWKOTPCHSA-N 1 3 333.476 1.373 20 0 EDADHO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414751275 447321463 /nfs/dbraw/zinc/32/14/63/447321463.db2.gz ABVQKBMBPGLPJU-ZWKOTPCHSA-N 1 3 333.476 1.373 20 0 EDADHO CCN1CCN(c2ccc(NC(=O)N(C)[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753922 447322465 /nfs/dbraw/zinc/32/24/65/447322465.db2.gz RJVJQFQNTLNBBW-OAHLLOKOSA-N 1 3 333.480 1.948 20 0 EDADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000349830828 302727416 /nfs/dbraw/zinc/72/74/16/302727416.db2.gz RWVNMDALDLQAKH-MRXNPFEDSA-N 1 3 342.491 1.691 20 0 EDADHO C[C@H](CNC(=O)CCN1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000293950748 303043153 /nfs/dbraw/zinc/04/31/53/303043153.db2.gz VMSZGXDYKMUVFC-QGZVFWFLSA-N 1 3 332.492 1.513 20 0 EDADHO C[C@H](CNC(=O)NCc1ccc2cncn2c1)C[NH+]1CCN(C)CC1 ZINC000297300331 303382760 /nfs/dbraw/zinc/38/27/60/303382760.db2.gz QJXYVTQGFSZFNE-OAHLLOKOSA-N 1 3 344.463 1.017 20 0 EDADHO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000414860384 447331284 /nfs/dbraw/zinc/33/12/84/447331284.db2.gz VGKGZRRPPXSGBT-KRWDZBQOSA-N 1 3 344.459 1.431 20 0 EDADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000303985068 303747000 /nfs/dbraw/zinc/74/70/00/303747000.db2.gz HZMPURPUEZEUJF-DLBZAZTESA-N 1 3 340.512 1.253 20 0 EDADHO CCc1nnc(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)s1 ZINC000664930856 453493083 /nfs/dbraw/zinc/49/30/83/453493083.db2.gz VKWSKFYUERRIRQ-LBPRGKRZSA-N 1 3 342.513 1.172 20 0 EDADHO CCc1nnc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)s1 ZINC000664930856 453493090 /nfs/dbraw/zinc/49/30/90/453493090.db2.gz VKWSKFYUERRIRQ-LBPRGKRZSA-N 1 3 342.513 1.172 20 0 EDADHO CC(C)[C@H](CNCc1cc(C2CC[NH2+]CC2)no1)N1CCN(C)CC1 ZINC000425894565 304976254 /nfs/dbraw/zinc/97/62/54/304976254.db2.gz GTQJOAFFSNVVRY-IBGZPJMESA-N 1 3 349.523 1.503 20 0 EDADHO COCC[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC[NH2+]C1 ZINC000430771116 305064469 /nfs/dbraw/zinc/06/44/69/305064469.db2.gz BGNULFIIJCFPAO-ICSRJNTNSA-N 1 3 345.487 1.783 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000430889527 305067033 /nfs/dbraw/zinc/06/70/33/305067033.db2.gz NVBCUGALKWLPTD-DLBZAZTESA-N 1 3 349.475 1.387 20 0 EDADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 ZINC000433120394 305100853 /nfs/dbraw/zinc/10/08/53/305100853.db2.gz YSYSTWFGKQUEQN-JKSUJKDBSA-N 1 3 346.475 1.553 20 0 EDADHO [NH3+]C1CCN(CCCC(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000433122363 305101093 /nfs/dbraw/zinc/10/10/93/305101093.db2.gz VOVBICVZFIAIAS-UHFFFAOYSA-N 1 3 344.503 1.364 20 0 EDADHO CCN1CCN([C@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433348507 305106070 /nfs/dbraw/zinc/10/60/70/305106070.db2.gz AAZQYUHIFAWHHC-MRXNPFEDSA-N 1 3 332.492 1.504 20 0 EDADHO CN(C)Cc1cccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433381942 305107082 /nfs/dbraw/zinc/10/70/82/305107082.db2.gz MICFBIOLLCXLMZ-OAHLLOKOSA-N 1 3 328.420 1.517 20 0 EDADHO C[C@@H]1CN(CCCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433384673 305107150 /nfs/dbraw/zinc/10/71/50/305107150.db2.gz DSLPOTCESUKHFD-ZACQAIPSSA-N 1 3 340.512 1.659 20 0 EDADHO CCCCN1CCCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385515 305107427 /nfs/dbraw/zinc/10/74/27/305107427.db2.gz BHRQVDRLJLMXLK-CVEARBPZSA-N 1 3 348.495 1.587 20 0 EDADHO C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1C ZINC000433387092 305107489 /nfs/dbraw/zinc/10/74/89/305107489.db2.gz QFUDMZVERMEZNO-ILXRZTDVSA-N 1 3 334.468 1.195 20 0 EDADHO C[C@H]([NH3+])CCC(=O)Nc1ccccc1CN1CCC[C@@H](C(N)=O)C1 ZINC000434684560 305127661 /nfs/dbraw/zinc/12/76/61/305127661.db2.gz LQYZBBFECCXFSI-DZGCQCFKSA-N 1 3 332.448 1.450 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956979 305214743 /nfs/dbraw/zinc/21/47/43/305214743.db2.gz LQFKCBWVXYHLRN-FUHWJXTLSA-N 1 3 336.524 1.536 20 0 EDADHO CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440956979 305214744 /nfs/dbraw/zinc/21/47/44/305214744.db2.gz LQFKCBWVXYHLRN-FUHWJXTLSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC000442964267 305232296 /nfs/dbraw/zinc/23/22/96/305232296.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 1 3 336.524 1.536 20 0 EDADHO CN1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000442964267 305232297 /nfs/dbraw/zinc/23/22/97/305232297.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 1 3 336.524 1.536 20 0 EDADHO CS(=O)(=O)c1ccc(OCCCN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443055693 305234255 /nfs/dbraw/zinc/23/42/55/305234255.db2.gz BHVQVTMVOFGXPS-HNNXBMFYSA-N 1 3 340.489 1.920 20 0 EDADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365063 305263776 /nfs/dbraw/zinc/26/37/76/305263776.db2.gz YUDTVJFOVFJIIC-TVKQPGBESA-N 1 3 349.519 1.709 20 0 EDADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365063 305263777 /nfs/dbraw/zinc/26/37/77/305263777.db2.gz YUDTVJFOVFJIIC-TVKQPGBESA-N 1 3 349.519 1.709 20 0 EDADHO CN(C)[C@@]1(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CCSC1 ZINC000449326791 305311585 /nfs/dbraw/zinc/31/15/85/305311585.db2.gz ZEUBMQMCJKYDID-MSOLQXFVSA-N 1 3 333.501 1.471 20 0 EDADHO Cc1nn(C)c(N2CCOCC2)c1CNC(C)(C)CCC[NH+](C)C ZINC000451229773 305334626 /nfs/dbraw/zinc/33/46/26/305334626.db2.gz RMMHXDQXKRZHSO-UHFFFAOYSA-N 1 3 337.512 1.775 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000457654665 305493931 /nfs/dbraw/zinc/49/39/31/305493931.db2.gz TTWQTRGUHUJOAA-UHFFFAOYSA-N 1 3 336.480 1.766 20 0 EDADHO CN(C)CCOCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000471634179 305537503 /nfs/dbraw/zinc/53/75/03/305537503.db2.gz FIHLZVQNAMNKIB-UHFFFAOYSA-N 1 3 340.512 1.661 20 0 EDADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414913006 447354853 /nfs/dbraw/zinc/35/48/53/447354853.db2.gz VMVFEWGYEAAUNA-HNNXBMFYSA-N 1 3 346.475 1.535 20 0 EDADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CNC)C1 ZINC000414913006 447354857 /nfs/dbraw/zinc/35/48/57/447354857.db2.gz VMVFEWGYEAAUNA-HNNXBMFYSA-N 1 3 346.475 1.535 20 0 EDADHO O=C(NC[C@H]1NCCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000515621149 305725482 /nfs/dbraw/zinc/72/54/82/305725482.db2.gz ZGTLTWNRZFGNJN-QGZVFWFLSA-N 1 3 328.460 1.659 20 0 EDADHO O[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528395089 305871541 /nfs/dbraw/zinc/87/15/41/305871541.db2.gz LLZYQWKCYJZNQY-INIZCTEOSA-N 1 3 326.481 1.229 20 0 EDADHO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCCN1CC ZINC000414928502 447361208 /nfs/dbraw/zinc/36/12/08/447361208.db2.gz QCXFQODNPUEZHX-MRXNPFEDSA-N 1 3 346.475 1.677 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000540952326 306042632 /nfs/dbraw/zinc/04/26/32/306042632.db2.gz IRPBMJDLSCJHTG-UHFFFAOYSA-N 1 3 344.463 1.048 20 0 EDADHO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CCN(C)CC1 ZINC000542823913 306059049 /nfs/dbraw/zinc/05/90/49/306059049.db2.gz UPOPLXJGFDAVSI-DOTOQJQBSA-N 1 3 338.496 1.029 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000551891737 306165974 /nfs/dbraw/zinc/16/59/74/306165974.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 1 3 334.508 1.240 20 0 EDADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000551891737 306165975 /nfs/dbraw/zinc/16/59/75/306165975.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 1 3 334.508 1.240 20 0 EDADHO FC(F)(F)[C@H](CNCc1cccc2c1NCC2)N1CC[NH2+]CC1 ZINC000414962583 447375137 /nfs/dbraw/zinc/37/51/37/447375137.db2.gz AFDGGXVPXMSRCR-AWEZNQCLSA-N 1 3 328.382 1.580 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660837364 453598598 /nfs/dbraw/zinc/59/85/98/453598598.db2.gz KRIWDUSGKPOUKD-HNNXBMFYSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414985281 447385332 /nfs/dbraw/zinc/38/53/32/447385332.db2.gz HJKCNUBOFJWLKQ-KRWDZBQOSA-N 1 3 346.475 1.711 20 0 EDADHO C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000415300946 447405555 /nfs/dbraw/zinc/40/55/55/447405555.db2.gz SFRHBEQKUOTCLL-HNNXBMFYSA-N 1 3 332.448 1.286 20 0 EDADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779589 447407486 /nfs/dbraw/zinc/40/74/86/447407486.db2.gz PLERDHWPDGAHHU-AWEZNQCLSA-N 1 3 338.496 1.001 20 0 EDADHO CC(C)C[C@@H](CN)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415424286 447424509 /nfs/dbraw/zinc/42/45/09/447424509.db2.gz HUAPHJNPCKGBPD-INIZCTEOSA-N 1 3 334.464 1.219 20 0 EDADHO CCC[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCC(C)CC2)CC1 ZINC000080457868 441172488 /nfs/dbraw/zinc/17/24/88/441172488.db2.gz LBJMCOTTYCJCQQ-KRWDZBQOSA-N 1 3 340.512 1.253 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Cl)cc1 ZINC000103211338 441176769 /nfs/dbraw/zinc/17/67/69/441176769.db2.gz UAHOQVIXQQOCSF-UHFFFAOYSA-N 1 3 327.856 1.671 20 0 EDADHO CC[N@@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000073125194 441296546 /nfs/dbraw/zinc/29/65/46/441296546.db2.gz WWNOABPEFVYJLW-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO CC[N@H+]1CCC[C@H](CNC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000073125194 441296551 /nfs/dbraw/zinc/29/65/51/441296551.db2.gz WWNOABPEFVYJLW-QGZVFWFLSA-N 1 3 337.508 1.870 20 0 EDADHO C[NH+]1CCC(CCNC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000073228565 441303026 /nfs/dbraw/zinc/30/30/26/441303026.db2.gz HRPJAGDDFFUSQD-UHFFFAOYSA-N 1 3 337.508 1.870 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074065054 441388073 /nfs/dbraw/zinc/38/80/73/441388073.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 1 3 348.491 1.481 20 0 EDADHO COCCN(C)CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074065054 441388078 /nfs/dbraw/zinc/38/80/78/441388078.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 1 3 348.491 1.481 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107284000 441407860 /nfs/dbraw/zinc/40/78/60/441407860.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO CCN1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107284000 441407861 /nfs/dbraw/zinc/40/78/61/441407861.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 1 3 336.524 1.489 20 0 EDADHO CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC(=O)N(C)C2)CC1 ZINC000088698054 441517182 /nfs/dbraw/zinc/51/71/82/441517182.db2.gz OJDJYMZJWXLWHZ-KRWDZBQOSA-N 1 3 330.476 1.539 20 0 EDADHO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000041605833 441663528 /nfs/dbraw/zinc/66/35/28/441663528.db2.gz MNWHVQSCMVLMJA-CQSZACIVSA-N 1 3 334.464 1.533 20 0 EDADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@](C)(O)CN(C)C ZINC000121881022 441802235 /nfs/dbraw/zinc/80/22/35/441802235.db2.gz UDQHKTZUWKCKNN-RDJZCZTQSA-N 1 3 328.501 1.253 20 0 EDADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@](C)(O)CN(C)C ZINC000121881022 441802239 /nfs/dbraw/zinc/80/22/39/441802239.db2.gz UDQHKTZUWKCKNN-RDJZCZTQSA-N 1 3 328.501 1.253 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000150953499 441980856 /nfs/dbraw/zinc/98/08/56/441980856.db2.gz DIXVMDZBUJWCIB-UHFFFAOYSA-N 1 3 336.446 1.629 20 0 EDADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C)C[C@H]2CN)cc1 ZINC000162615800 442109843 /nfs/dbraw/zinc/10/98/43/442109843.db2.gz BEKVNXRMODUXKR-QGZVFWFLSA-N 1 3 348.491 1.122 20 0 EDADHO Cc1cc2c(cc1C)O[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C2 ZINC000080061157 442111523 /nfs/dbraw/zinc/11/15/23/442111523.db2.gz HLMTWGUYPSUPLK-GOSISDBHSA-N 1 3 333.476 1.559 20 0 EDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474113 442096557 /nfs/dbraw/zinc/09/65/57/442096557.db2.gz IBBCTULQGRNQQG-YCPHGPKFSA-N 1 3 325.478 1.283 20 0 EDADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCN(C)CC2)[C@H](C)C1 ZINC000162509917 442099351 /nfs/dbraw/zinc/09/93/51/442099351.db2.gz VWERSUGBASCMCH-MOPGFXCFSA-N 1 3 340.556 1.351 20 0 EDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCN1C ZINC000176085153 442172849 /nfs/dbraw/zinc/17/28/49/442172849.db2.gz AWFLHPRNJQBKTQ-HNNXBMFYSA-N 1 3 332.448 1.206 20 0 EDADHO Cc1cccc2c1CC[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168898366 442225293 /nfs/dbraw/zinc/22/52/93/442225293.db2.gz KEDIFRQQSIUTRP-FQEVSTJZSA-N 1 3 331.504 1.962 20 0 EDADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176563204 442234652 /nfs/dbraw/zinc/23/46/52/442234652.db2.gz CXRTUWLMYQZISU-ULQDDVLXSA-N 1 3 340.512 1.611 20 0 EDADHO CCN(CC(=O)N1CCN(C(=O)C[N@H+](CC)C(C)C)CC1)C(C)C ZINC000128414287 442265508 /nfs/dbraw/zinc/26/55/08/442265508.db2.gz DBIUXIFTRNVLHR-UHFFFAOYSA-N 1 3 340.512 1.118 20 0 EDADHO CCN(CC(=O)N1CCN(C(=O)C[N@@H+](CC)C(C)C)CC1)C(C)C ZINC000128414287 442265511 /nfs/dbraw/zinc/26/55/11/442265511.db2.gz DBIUXIFTRNVLHR-UHFFFAOYSA-N 1 3 340.512 1.118 20 0 EDADHO C[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCS1 ZINC000170884218 442283130 /nfs/dbraw/zinc/28/31/30/442283130.db2.gz JIDGVQPNYZMDRU-CQSZACIVSA-N 1 3 340.537 1.692 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)CN1C1CC1 ZINC000130257878 442342477 /nfs/dbraw/zinc/34/24/77/442342477.db2.gz WXKITEZMOJJBEA-LSDHHAIUSA-N 1 3 338.496 1.100 20 0 EDADHO C[C@H]1C[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CN1C1CC1 ZINC000130257878 442342479 /nfs/dbraw/zinc/34/24/79/442342479.db2.gz WXKITEZMOJJBEA-LSDHHAIUSA-N 1 3 338.496 1.100 20 0 EDADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000186136403 442469991 /nfs/dbraw/zinc/46/99/91/442469991.db2.gz BDIOFBCVLAOSQP-DLBZAZTESA-N 1 3 339.528 1.138 20 0 EDADHO COCCN(C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156730634 442514734 /nfs/dbraw/zinc/51/47/34/442514734.db2.gz NHUWKCOPVXLOCF-KRWDZBQOSA-N 1 3 340.512 1.615 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134883393 442531842 /nfs/dbraw/zinc/53/18/42/442531842.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 1 3 338.492 1.492 20 0 EDADHO O[C@H](COC1CCOCC1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134883393 442531847 /nfs/dbraw/zinc/53/18/47/442531847.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 1 3 338.492 1.492 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179151670 442583531 /nfs/dbraw/zinc/58/35/31/442583531.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 1 3 334.464 1.309 20 0 EDADHO COCCN(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179151670 442583534 /nfs/dbraw/zinc/58/35/34/442583534.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 1 3 334.464 1.309 20 0 EDADHO CCCC[NH+]1CCC(NC(=O)[C@@]2(N)C[C@H](OCC)C2(C)C)CC1 ZINC000186707775 442597381 /nfs/dbraw/zinc/59/73/81/442597381.db2.gz KUQVOYHBXXOPPX-YJBOKZPZSA-N 1 3 325.497 1.900 20 0 EDADHO CCCNC(=O)[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192727980 442680812 /nfs/dbraw/zinc/68/08/12/442680812.db2.gz CNBRHVDACOYSJQ-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO CCCNC(=O)[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000192727980 442680814 /nfs/dbraw/zinc/68/08/14/442680814.db2.gz CNBRHVDACOYSJQ-SFHVURJKSA-N 1 3 338.540 1.641 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246384247 442777159 /nfs/dbraw/zinc/77/71/59/442777159.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO COCCN1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246384247 442777162 /nfs/dbraw/zinc/77/71/62/442777162.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 1 3 326.485 1.079 20 0 EDADHO CN1CCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000195126515 442986107 /nfs/dbraw/zinc/98/61/07/442986107.db2.gz HHRMPDSWEIJEKP-INIZCTEOSA-N 1 3 334.464 1.520 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000249731326 443002049 /nfs/dbraw/zinc/00/20/49/443002049.db2.gz AHMPRSBBNLGPOR-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO COCCN1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000249731326 443002054 /nfs/dbraw/zinc/00/20/54/443002054.db2.gz AHMPRSBBNLGPOR-JKSUJKDBSA-N 1 3 340.512 1.517 20 0 EDADHO CN(C)CCN(C)CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000623088021 450398718 /nfs/dbraw/zinc/39/87/18/450398718.db2.gz SPDHRMSSSAKKBH-UHFFFAOYSA-N 1 3 336.480 1.357 20 0 EDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000268770342 443103740 /nfs/dbraw/zinc/10/37/40/443103740.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000268770342 443103741 /nfs/dbraw/zinc/10/37/41/443103741.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 1 3 331.504 1.724 20 0 EDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000268770342 443103743 /nfs/dbraw/zinc/10/37/43/443103743.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 1 3 331.504 1.724 20 0 EDADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000268848672 443126486 /nfs/dbraw/zinc/12/64/86/443126486.db2.gz SBJSHOSHMJPJKG-UHFFFAOYSA-N 1 3 327.428 1.747 20 0 EDADHO C[C@@H]1CN(CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000262344016 443191185 /nfs/dbraw/zinc/19/11/85/443191185.db2.gz HKNRRKWGIUSNKO-LHHMISFZSA-N 1 3 337.508 1.722 20 0 EDADHO CCN1CCN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)CC1 ZINC000236992208 443154986 /nfs/dbraw/zinc/15/49/86/443154986.db2.gz PKRJKAWOSSCRRU-UHFFFAOYSA-N 1 3 330.476 1.653 20 0 EDADHO CN1CCC(O)(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401978919 319138435 /nfs/dbraw/zinc/13/84/35/319138435.db2.gz YXPJRGQBFRECRG-KRWDZBQOSA-N 1 3 347.459 1.444 20 0 EDADHO COCCN(CCN(C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264155160 443253721 /nfs/dbraw/zinc/25/37/21/443253721.db2.gz HVKUZXWFIHHIPC-UHFFFAOYSA-N 1 3 347.503 1.935 20 0 EDADHO CC[N@H+]1CC[C@H](NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000413859742 319294476 /nfs/dbraw/zinc/29/44/76/319294476.db2.gz NKVQVGOTPYDJJZ-DOTOQJQBSA-N 1 3 334.464 1.691 20 0 EDADHO CC(C)n1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cn1 ZINC000414192669 319319027 /nfs/dbraw/zinc/31/90/27/319319027.db2.gz MDHNPMJVDSPYFF-QGZVFWFLSA-N 1 3 349.523 1.911 20 0 EDADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414206217 319320019 /nfs/dbraw/zinc/32/00/19/319320019.db2.gz YABXYWYVJSAADJ-KRWDZBQOSA-N 1 3 347.507 1.184 20 0 EDADHO C[C@H]1C[C@H](CN2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414680405 319341390 /nfs/dbraw/zinc/34/13/90/319341390.db2.gz NDGVIYMORBDDOI-PKOBYXMFSA-N 1 3 344.503 1.309 20 0 EDADHO [NH3+][C@@H]1CC[C@H](C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)C1 ZINC000269267172 443258788 /nfs/dbraw/zinc/25/87/88/443258788.db2.gz PUQLJYWYMIEDGM-GOEBONIOSA-N 1 3 349.450 1.913 20 0 EDADHO CN(C(=O)C(=O)Nc1cccc(CN2CCCCC2)c1)C1C[NH2+]C1 ZINC000415728635 319367215 /nfs/dbraw/zinc/36/72/15/319367215.db2.gz AKLSKTWGEWWOKL-UHFFFAOYSA-N 1 3 330.432 1.041 20 0 EDADHO CN(C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417371125 319495057 /nfs/dbraw/zinc/49/50/57/319495057.db2.gz VBJCJTBYWKJTHY-DOTOQJQBSA-N 1 3 348.491 1.944 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174550 443368268 /nfs/dbraw/zinc/36/82/68/443368268.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 1 3 333.476 1.468 20 0 EDADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)CC(C)(C)O ZINC000267174550 443368273 /nfs/dbraw/zinc/36/82/73/443368273.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 1 3 333.476 1.468 20 0 EDADHO C[C@H](CC(N)=O)[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000267254059 443395064 /nfs/dbraw/zinc/39/50/64/443395064.db2.gz OSOZTNYRLWKATO-MRXNPFEDSA-N 1 3 333.476 1.911 20 0 EDADHO Cc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)N(C)C)cc1 ZINC000279021574 443493415 /nfs/dbraw/zinc/49/34/15/443493415.db2.gz ORBMBARAWZLBRE-CRAIPNDOSA-N 1 3 341.459 1.828 20 0 EDADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000422735891 319735418 /nfs/dbraw/zinc/73/54/18/319735418.db2.gz FMTTYTOQMUAGBS-WMZOPIPTSA-N 1 3 335.492 1.526 20 0 EDADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396672 319771206 /nfs/dbraw/zinc/77/12/06/319771206.db2.gz UCVBOTXXRQDYNH-NHYWBVRUSA-N 1 3 345.365 1.902 20 0 EDADHO C[C@@]1(CNC(=O)CCN2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000273031774 443523855 /nfs/dbraw/zinc/52/38/55/443523855.db2.gz SERUCIHQZYUQAX-HXUWFJFHSA-N 1 3 344.503 1.705 20 0 EDADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@H+](C)CC)cc1 ZINC000265190148 443564092 /nfs/dbraw/zinc/56/40/92/443564092.db2.gz URZGZTHVGWUNNH-UHFFFAOYSA-N 1 3 334.464 1.050 20 0 EDADHO CCN(C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)cc1 ZINC000265190148 443564093 /nfs/dbraw/zinc/56/40/93/443564093.db2.gz URZGZTHVGWUNNH-UHFFFAOYSA-N 1 3 334.464 1.050 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449749194 320204457 /nfs/dbraw/zinc/20/44/57/320204457.db2.gz OPTHWVYVSLWTME-MJGOQNOKSA-N 1 3 342.487 1.409 20 0 EDADHO COCC[N@H+](C)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358067 /nfs/dbraw/zinc/35/80/67/320358067.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 1 3 340.512 1.326 20 0 EDADHO COCC[N@@H+](C)CCCNC(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358068 /nfs/dbraw/zinc/35/80/68/320358068.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 1 3 340.512 1.326 20 0 EDADHO COc1cnc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nc1 ZINC000283626808 443675820 /nfs/dbraw/zinc/67/58/20/443675820.db2.gz BBAGSWAPHVUSIA-UHFFFAOYSA-N 1 3 348.451 1.165 20 0 EDADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000276424537 443702488 /nfs/dbraw/zinc/70/24/88/443702488.db2.gz LMROFNYUPKKRCQ-SJLPKXTDSA-N 1 3 347.507 1.885 20 0 EDADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000520796523 320480109 /nfs/dbraw/zinc/48/01/09/320480109.db2.gz RIIWZQAFYJWVOP-HUUCEWRRSA-N 1 3 340.537 1.917 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)[C@@H](C)CO)CC2)CC1 ZINC000561284333 321038782 /nfs/dbraw/zinc/03/87/82/321038782.db2.gz AZPYIAXMTUVSAF-GJZGRUSLSA-N 1 3 325.497 1.316 20 0 EDADHO CC(C)C[C@H](CNC(=O)COC1CNC1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074552 321093598 /nfs/dbraw/zinc/09/35/98/321093598.db2.gz GHVQVWNMHAAAEM-DOTOQJQBSA-N 1 3 333.476 1.857 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@H]2CN)CC1 ZINC000564457627 321133318 /nfs/dbraw/zinc/13/33/18/321133318.db2.gz XGINBDMQYDYYPY-LJQANCHMSA-N 1 3 344.503 1.534 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCO[C@H](C)[C@H]3C)CC2)CC1 ZINC000565182544 321174377 /nfs/dbraw/zinc/17/43/77/321174377.db2.gz NHGKHNRBURNPMJ-HZPDHXFCSA-N 1 3 337.508 1.819 20 0 EDADHO CN1CCN(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1(C)C ZINC000566126113 321218774 /nfs/dbraw/zinc/21/87/74/321218774.db2.gz ZZIRVNIWBJYODD-KRWDZBQOSA-N 1 3 339.911 1.859 20 0 EDADHO CN(C)CCOc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567476956 321243247 /nfs/dbraw/zinc/24/32/47/321243247.db2.gz SAWVJMYOKCARJB-DLBZAZTESA-N 1 3 346.475 1.378 20 0 EDADHO C[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028717 321334618 /nfs/dbraw/zinc/33/46/18/321334618.db2.gz KSJUXYVTUWDXGV-MJGOQNOKSA-N 1 3 330.476 1.950 20 0 EDADHO C[N@H+](C[C@@H](O)CNC[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093018 321337527 /nfs/dbraw/zinc/33/75/27/321337527.db2.gz DNPVQRNJMOXWQH-JSGCOSHPSA-N 1 3 344.858 1.675 20 0 EDADHO C[N@@H+](C[C@@H](O)CNC[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093018 321337528 /nfs/dbraw/zinc/33/75/28/321337528.db2.gz DNPVQRNJMOXWQH-JSGCOSHPSA-N 1 3 344.858 1.675 20 0 EDADHO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)c1 ZINC000570811035 321359350 /nfs/dbraw/zinc/35/93/50/321359350.db2.gz XNGGTROYEUINFF-UHFFFAOYSA-N 1 3 346.475 1.677 20 0 EDADHO CCN(CC)[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)c1cccc(OC)c1 ZINC000278238100 444121534 /nfs/dbraw/zinc/12/15/34/444121534.db2.gz KXAXSGFATOZLEW-IRXDYDNUSA-N 1 3 337.464 1.558 20 0 EDADHO C[C@H](C(=O)NC1CCCC1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303345872 444236566 /nfs/dbraw/zinc/23/65/66/444236566.db2.gz ZVEZPEFMSYXDTM-LSDHHAIUSA-N 1 3 325.497 1.458 20 0 EDADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000303379873 444236700 /nfs/dbraw/zinc/23/67/00/444236700.db2.gz QMJXOZHFFOQIRV-JFIYKMOQSA-N 1 3 342.524 1.984 20 0 EDADHO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](CN)OC)ccc1OC ZINC000290100153 444242532 /nfs/dbraw/zinc/24/25/32/444242532.db2.gz XNVYWFPNMBROQT-MRXNPFEDSA-N 1 3 339.436 1.328 20 0 EDADHO C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)N1[C@H](C)CC[C@@H]1C ZINC000304226499 444243303 /nfs/dbraw/zinc/24/33/03/444243303.db2.gz LGFZXMNOUIGGOF-YYIAUSFCSA-N 1 3 325.497 1.457 20 0 EDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000578011136 321708031 /nfs/dbraw/zinc/70/80/31/321708031.db2.gz SXLRTQYPEGYOSM-LSDHHAIUSA-N 1 3 348.491 1.568 20 0 EDADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1CNCCO1 ZINC000580882699 322107534 /nfs/dbraw/zinc/10/75/34/322107534.db2.gz UEBTYYUDYOGLJI-SFHVURJKSA-N 1 3 346.475 1.460 20 0 EDADHO O=C1NC2(CCCC2)C(=O)N1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000580887293 322108043 /nfs/dbraw/zinc/10/80/43/322108043.db2.gz LNSPZFFAQOIJTN-HRCADAONSA-N 1 3 348.491 1.751 20 0 EDADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000581061045 322130213 /nfs/dbraw/zinc/13/02/13/322130213.db2.gz BOFDARWKFCGUKL-BBWFWOEESA-N 1 3 334.439 1.746 20 0 EDADHO CN(C)[C@H](CNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132434 322140186 /nfs/dbraw/zinc/14/01/86/322140186.db2.gz IOFWCICKXQTDCQ-UYAOXDASSA-N 1 3 344.503 1.481 20 0 EDADHO [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCO1 ZINC000581597163 322196707 /nfs/dbraw/zinc/19/67/07/322196707.db2.gz KPSQMZRPCOHEGD-IRXDYDNUSA-N 1 3 332.448 1.020 20 0 EDADHO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)C[C@H]1[NH+](C)C ZINC000340799996 444515450 /nfs/dbraw/zinc/51/54/50/444515450.db2.gz LVKOAGQVWRKHMJ-CZUORRHYSA-N 1 3 332.448 1.095 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894619 444651632 /nfs/dbraw/zinc/65/16/32/444651632.db2.gz VEGKGVVATJPCFD-HOTGVXAUSA-N 1 3 339.480 1.252 20 0 EDADHO COCCCN(C)CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000341196265 444722831 /nfs/dbraw/zinc/72/28/31/444722831.db2.gz GNFXRUCNHKQZRG-UHFFFAOYSA-N 1 3 328.501 1.328 20 0 EDADHO C[C@H](C(=O)N1CCCCCC1)N(C)CCCN(C)CC[NH+](C)C ZINC000344026447 444737319 /nfs/dbraw/zinc/73/73/19/444737319.db2.gz JVKDFKSOEMVUDT-QGZVFWFLSA-N 1 3 326.529 1.593 20 0 EDADHO CCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043635 444758393 /nfs/dbraw/zinc/75/83/93/444758393.db2.gz PGTWTVUUAXMLCJ-GVDBMIGSSA-N 1 3 338.496 1.148 20 0 EDADHO CN(C[C@H](O)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796936 /nfs/dbraw/zinc/79/69/36/444796936.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 1 3 343.515 1.895 20 0 EDADHO CN(C[C@H](O)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796940 /nfs/dbraw/zinc/79/69/40/444796940.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 1 3 343.515 1.895 20 0 EDADHO COCCN(C)CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341778180 444997315 /nfs/dbraw/zinc/99/73/15/444997315.db2.gz ZRNBVLLEYVZZRV-INIZCTEOSA-N 1 3 343.537 1.288 20 0 EDADHO CC1CCN(C[C@@H](O)CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000344481837 445001419 /nfs/dbraw/zinc/00/14/19/445001419.db2.gz JEGWVHKKMUNVHP-INIZCTEOSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105672 445069707 /nfs/dbraw/zinc/06/97/07/445069707.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000343105672 445069712 /nfs/dbraw/zinc/06/97/12/445069712.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 1 3 345.487 1.591 20 0 EDADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000343176315 445116628 /nfs/dbraw/zinc/11/66/28/445116628.db2.gz ZXDVNLROUKYPBH-JKSUJKDBSA-N 1 3 340.512 1.023 20 0 EDADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000343517955 445237412 /nfs/dbraw/zinc/23/74/12/445237412.db2.gz XNUAPXUHOZEFMT-BBRMVZONSA-N 1 3 349.450 1.999 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCSCC1 ZINC000351664752 445263178 /nfs/dbraw/zinc/26/31/78/445263178.db2.gz MCRDMCUKFDZNLL-HNNXBMFYSA-N 1 3 328.526 1.503 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N1CCSCC1 ZINC000351664752 445263180 /nfs/dbraw/zinc/26/31/80/445263180.db2.gz MCRDMCUKFDZNLL-HNNXBMFYSA-N 1 3 328.526 1.503 20 0 EDADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCCN1C ZINC000343655305 445285391 /nfs/dbraw/zinc/28/53/91/445285391.db2.gz OXNJLXVLGJKKEQ-QAPCUYQASA-N 1 3 348.491 1.909 20 0 EDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406478 /nfs/dbraw/zinc/40/64/78/445406478.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406483 /nfs/dbraw/zinc/40/64/83/445406483.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 1 3 336.524 1.489 20 0 EDADHO CO[C@@H](C)c1nc(CN2CCCN(CCOCC[NH3+])CC2)cs1 ZINC000357087321 445419171 /nfs/dbraw/zinc/41/91/71/445419171.db2.gz MVTZIGCAQYTEFU-AWEZNQCLSA-N 1 3 342.509 1.334 20 0 EDADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523479 445423788 /nfs/dbraw/zinc/42/37/88/445423788.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 1 3 344.503 1.248 20 0 EDADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000362523479 445423792 /nfs/dbraw/zinc/42/37/92/445423792.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 1 3 344.503 1.248 20 0 EDADHO CC(C)(CNC(=O)CCOC1C[NH2+]C1)N1CCc2ccccc2C1 ZINC000348989115 445466746 /nfs/dbraw/zinc/46/67/46/445466746.db2.gz BXEGZMXKWQODFS-UHFFFAOYSA-N 1 3 331.460 1.318 20 0 EDADHO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000357278389 445521551 /nfs/dbraw/zinc/52/15/51/445521551.db2.gz CSXJUBRUMMCVNE-LESCRADOSA-N 1 3 336.480 1.290 20 0 EDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939916 445497691 /nfs/dbraw/zinc/49/76/91/445497691.db2.gz DTQZCKVBASMMOG-QFBILLFUSA-N 1 3 344.503 1.504 20 0 EDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939916 445497694 /nfs/dbraw/zinc/49/76/94/445497694.db2.gz DTQZCKVBASMMOG-QFBILLFUSA-N 1 3 344.503 1.504 20 0 EDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000359939916 445497695 /nfs/dbraw/zinc/49/76/95/445497695.db2.gz DTQZCKVBASMMOG-QFBILLFUSA-N 1 3 344.503 1.504 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC2CCN(C)CC2)C1 ZINC000362856367 445583487 /nfs/dbraw/zinc/58/34/87/445583487.db2.gz QUQWVDLMBNQKSG-QGZVFWFLSA-N 1 3 325.497 1.678 20 0 EDADHO CN1CCC(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000362894689 445600088 /nfs/dbraw/zinc/60/00/88/445600088.db2.gz DRMAEHCRZSXNJM-GOSISDBHSA-N 1 3 337.508 1.822 20 0 EDADHO COCC[N@H+](C)CC[C@H](NC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353436232 445601215 /nfs/dbraw/zinc/60/12/15/445601215.db2.gz XHYCQPJOFFTGBQ-UONOGXRCSA-N 1 3 347.381 1.702 20 0 EDADHO COCC[N@@H+](C)CC[C@H](NC(=O)C(N)C(F)(F)F)c1ccccc1 ZINC000353436232 445601217 /nfs/dbraw/zinc/60/12/17/445601217.db2.gz XHYCQPJOFFTGBQ-UONOGXRCSA-N 1 3 347.381 1.702 20 0 EDADHO CC[NH+](CC)CCOC1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353474412 445618566 /nfs/dbraw/zinc/61/85/66/445618566.db2.gz WHJKGAZKBGJLSU-GFCCVEGCSA-N 1 3 325.375 1.225 20 0 EDADHO C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358507002 445623785 /nfs/dbraw/zinc/62/37/85/445623785.db2.gz MLRQPOZBTYWMGR-IRXDYDNUSA-N 1 3 337.508 1.773 20 0 EDADHO COc1cc(CNC(=O)C(N)C(F)(F)F)ccc1OCC[NH+](C)C ZINC000353526698 445642814 /nfs/dbraw/zinc/64/28/14/445642814.db2.gz RXYBQDBSSARHAT-ZDUSSCGKSA-N 1 3 349.353 1.141 20 0 EDADHO CC1CC[NH+](CC2CCN(CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000360223360 445639050 /nfs/dbraw/zinc/63/90/50/445639050.db2.gz SIBBZMIFDSGOMF-UHFFFAOYSA-N 1 3 336.480 1.372 20 0 EDADHO C[C@H]1CCC[N@H+](CCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360247265 445654114 /nfs/dbraw/zinc/65/41/14/445654114.db2.gz BFNHQXBKCXFRHS-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000360247265 445654120 /nfs/dbraw/zinc/65/41/20/445654120.db2.gz BFNHQXBKCXFRHS-GOEBONIOSA-N 1 3 328.526 1.455 20 0 EDADHO C[C@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000363279052 445750875 /nfs/dbraw/zinc/75/08/75/445750875.db2.gz VJWRSHPKYVVYON-OAHLLOKOSA-N 1 3 333.480 1.582 20 0 EDADHO C[C@H](CNC(=O)c1cnn(CCN2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000363279052 445750878 /nfs/dbraw/zinc/75/08/78/445750878.db2.gz VJWRSHPKYVVYON-OAHLLOKOSA-N 1 3 333.480 1.582 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)CC1 ZINC000350087550 445765122 /nfs/dbraw/zinc/76/51/22/445765122.db2.gz JHJGEBCOYFCIGS-QGZVFWFLSA-N 1 3 338.496 1.365 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787103 /nfs/dbraw/zinc/78/71/03/445787103.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 1 3 338.540 1.782 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787105 /nfs/dbraw/zinc/78/71/05/445787105.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 1 3 338.540 1.782 20 0 EDADHO Cc1cc(NC(=O)c2csc(CC[NH3+])n2)n(C2CCN(C)CC2)n1 ZINC000358849009 445808342 /nfs/dbraw/zinc/80/83/42/445808342.db2.gz BHZKYOMAOZQBKX-UHFFFAOYSA-N 1 3 348.476 1.668 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccncc1OCCN(C)C ZINC000358917642 445847137 /nfs/dbraw/zinc/84/71/37/445847137.db2.gz CXCZOQZENYBDOQ-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccncc1OCCN(C)C ZINC000358917642 445847142 /nfs/dbraw/zinc/84/71/42/445847142.db2.gz CXCZOQZENYBDOQ-INIZCTEOSA-N 1 3 349.479 1.306 20 0 EDADHO CN(C)Cc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000583435165 326072145 /nfs/dbraw/zinc/07/21/45/326072145.db2.gz SBZBXJGNKIAKSG-MRXNPFEDSA-N 1 3 342.447 1.194 20 0 EDADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)NC(=O)NCc3ccccc3)C[C@H]12 ZINC000351476251 446077409 /nfs/dbraw/zinc/07/74/09/446077409.db2.gz KHXNVAKXODXETJ-HRCADAONSA-N 1 3 330.432 1.072 20 0 EDADHO O=C(CCCN1CCN(c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359423513 446215572 /nfs/dbraw/zinc/21/55/72/446215572.db2.gz LMPQVNJDXBFWBV-QZTJIDSGSA-N 1 3 342.487 1.267 20 0 EDADHO C[C@H]1C[N@H+](CCCNC(=O)N2CCCN(C3CC3)CC2)CCCO1 ZINC000365497090 446231924 /nfs/dbraw/zinc/23/19/24/446231924.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@H]1C[N@@H+](CCCNC(=O)N2CCCN(C3CC3)CC2)CCCO1 ZINC000365497090 446231927 /nfs/dbraw/zinc/23/19/27/446231927.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 1 3 338.496 1.367 20 0 EDADHO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000366597492 446275557 /nfs/dbraw/zinc/27/55/57/446275557.db2.gz NNYSMXQJMPOODK-LZQZEXGQSA-N 1 3 335.467 1.817 20 0 EDADHO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000366597492 446275560 /nfs/dbraw/zinc/27/55/60/446275560.db2.gz NNYSMXQJMPOODK-LZQZEXGQSA-N 1 3 335.467 1.817 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000365713117 446311270 /nfs/dbraw/zinc/31/12/70/446311270.db2.gz QPGWTHAFRWRPCW-JLJPHGGASA-N 1 3 339.867 1.813 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1SC ZINC000362322206 446319141 /nfs/dbraw/zinc/31/91/41/446319141.db2.gz MCVNYWNBOZEBAD-LXTVHRRPSA-N 1 3 329.510 1.072 20 0 EDADHO CCO[C@@H]1C[C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1SC ZINC000362322206 446319143 /nfs/dbraw/zinc/31/91/43/446319143.db2.gz MCVNYWNBOZEBAD-LXTVHRRPSA-N 1 3 329.510 1.072 20 0 EDADHO COCCN(C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490036 446355046 /nfs/dbraw/zinc/35/50/46/446355046.db2.gz GKNCKUWFSJCYMT-JQHSSLGASA-N 1 3 348.491 1.827 20 0 EDADHO CN(C)CCOc1cc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000417956716 446399293 /nfs/dbraw/zinc/39/92/93/446399293.db2.gz TYSBHKLGJRJKCY-OAHLLOKOSA-N 1 3 349.479 1.292 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619927 446360274 /nfs/dbraw/zinc/36/02/74/446360274.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 1 3 348.539 1.443 20 0 EDADHO Cc1nn(C)c(N2CCCN(C)CC2)c1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000370619927 446360280 /nfs/dbraw/zinc/36/02/80/446360280.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 1 3 348.539 1.443 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N2CCNC(C)(C)C2)CC1 ZINC000417545925 446364169 /nfs/dbraw/zinc/36/41/69/446364169.db2.gz KWYVNVUFWPBANP-UHFFFAOYSA-N 1 3 326.485 1.269 20 0 EDADHO CN1CCC[C@H](CNC(=O)N(CC[NH3+])CCO)[C@H]1c1cccs1 ZINC000417745270 446371923 /nfs/dbraw/zinc/37/19/23/446371923.db2.gz ZUSSHNVHHFMWLP-HIFRSBDPSA-N 1 3 340.493 1.094 20 0 EDADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2OCCN(C)C)C1 ZINC000417368544 446349506 /nfs/dbraw/zinc/34/95/06/446349506.db2.gz RDPJMYKPUZNBLS-RDJZCZTQSA-N 1 3 348.491 1.896 20 0 EDADHO C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1 ZINC000418059474 446427112 /nfs/dbraw/zinc/42/71/12/446427112.db2.gz UHZKRCRTMMAPPH-HNNXBMFYSA-N 1 3 340.418 1.587 20 0 EDADHO C[C@H](CC(=O)N1CCCN(C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774889 446433746 /nfs/dbraw/zinc/43/37/46/446433746.db2.gz TXLUYEUIQXGIFY-MRXNPFEDSA-N 1 3 337.508 1.726 20 0 EDADHO COc1ccc([C@H](NC[C@H]2CCCN2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144945 446439706 /nfs/dbraw/zinc/43/97/06/446439706.db2.gz ILDFVAZVFWKGKP-HOJAQTOUSA-N 1 3 347.503 1.925 20 0 EDADHO CCC([NH3+])(CC)CNC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000418004070 446412186 /nfs/dbraw/zinc/41/21/86/446412186.db2.gz ZLUYELBBQLQDAN-QGZVFWFLSA-N 1 3 348.491 1.570 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418008204 446413969 /nfs/dbraw/zinc/41/39/69/446413969.db2.gz GWOGXPHYBQLTQK-LULLPPNCSA-N 1 3 342.487 1.900 20 0 EDADHO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CCCCCC1 ZINC000432547326 446484254 /nfs/dbraw/zinc/48/42/54/446484254.db2.gz SXEKYHYHUBOVCJ-DLBZAZTESA-N 1 3 325.497 1.868 20 0 EDADHO C[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)N1CCCCCC1 ZINC000432547326 446484262 /nfs/dbraw/zinc/48/42/62/446484262.db2.gz SXEKYHYHUBOVCJ-DLBZAZTESA-N 1 3 325.497 1.868 20 0 EDADHO COCCN1CCC([NH2+][C@@H]2CNCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423336600 446493150 /nfs/dbraw/zinc/49/31/50/446493150.db2.gz QNHFNHBRDSXMDX-VQTJNVASSA-N 1 3 347.503 1.841 20 0 EDADHO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343877 446515405 /nfs/dbraw/zinc/51/54/05/446515405.db2.gz RQCKBHQNDOVLKA-KBMXLJTQSA-N 1 3 344.459 1.434 20 0 EDADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1ccc(Cl)cc1 ZINC000420328681 446497750 /nfs/dbraw/zinc/49/77/50/446497750.db2.gz FIKYVTGMMFMDJR-IYBDPMFKSA-N 1 3 335.879 1.930 20 0 EDADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357571 446497841 /nfs/dbraw/zinc/49/78/41/446497841.db2.gz IKQYGIYIZJDMDY-RBSFLKMASA-N 1 3 333.480 1.727 20 0 EDADHO COC(=O)CC1(NCC(=O)NC2CC[NH+](C(C)C)CC2)CCC1 ZINC000411477485 446561099 /nfs/dbraw/zinc/56/10/99/446561099.db2.gz IIUUORJWFXBSRP-UHFFFAOYSA-N 1 3 325.453 1.051 20 0 EDADHO COc1ccc([C@@H](CN(C)C)NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391777 446526854 /nfs/dbraw/zinc/52/68/54/446526854.db2.gz VFPJYAFKBUOMFY-VMBOVVBDSA-N 1 3 334.464 1.867 20 0 EDADHO CC[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423425508 446530922 /nfs/dbraw/zinc/53/09/22/446530922.db2.gz MHNAMAKNJONTDW-JKSUJKDBSA-N 1 3 347.507 1.881 20 0 EDADHO CN(Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418412180 446533941 /nfs/dbraw/zinc/53/39/41/446533941.db2.gz HDHQVXJXVZOBPW-INIZCTEOSA-N 1 3 333.480 1.815 20 0 EDADHO CCC[NH2+]CCNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000418471317 446556641 /nfs/dbraw/zinc/55/66/41/446556641.db2.gz KKRCFFWZMLZZRQ-UHFFFAOYSA-N 1 3 339.528 1.045 20 0 EDADHO CCN(CCO)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418479369 446557626 /nfs/dbraw/zinc/55/76/26/446557626.db2.gz AJLGGBBLTFNIDD-SFHVURJKSA-N 1 3 344.459 1.453 20 0 EDADHO CCN1CCC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000411579480 446614337 /nfs/dbraw/zinc/61/43/37/446614337.db2.gz UTIBWWPJNHVDSL-HOTGVXAUSA-N 1 3 325.522 1.804 20 0 EDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375111127 446586655 /nfs/dbraw/zinc/58/66/55/446586655.db2.gz GIWNNNKOBGECGH-APWZRJJASA-N 1 3 342.487 1.997 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375111127 446586662 /nfs/dbraw/zinc/58/66/62/446586662.db2.gz GIWNNNKOBGECGH-APWZRJJASA-N 1 3 342.487 1.997 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCN2CCC1CC2 ZINC000375111127 446586667 /nfs/dbraw/zinc/58/66/67/446586667.db2.gz GIWNNNKOBGECGH-APWZRJJASA-N 1 3 342.487 1.997 20 0 EDADHO C[C@@H]1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)[C@H](C[NH3+])C1 ZINC000420425676 446599540 /nfs/dbraw/zinc/59/95/40/446599540.db2.gz SUJSRFBGAVXCTR-HIFRSBDPSA-N 1 3 325.478 1.496 20 0 EDADHO [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCCN(CCCO)C1)c1ccccc1 ZINC000418666734 446642202 /nfs/dbraw/zinc/64/22/02/446642202.db2.gz GMQLJIVOOHBKTF-ZWKOTPCHSA-N 1 3 348.491 1.613 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423719990 446659028 /nfs/dbraw/zinc/65/90/28/446659028.db2.gz CVFDUNRIZJQXHE-UHFFFAOYSA-N 1 3 344.463 1.221 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423738907 446669574 /nfs/dbraw/zinc/66/95/74/446669574.db2.gz FNYCDQADNLEJGX-XHSDSOJGSA-N 1 3 339.480 1.380 20 0 EDADHO COc1cc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)ccc1OCCN(C)C ZINC000375256428 446674120 /nfs/dbraw/zinc/67/41/20/446674120.db2.gz QZOILBUVALYQTP-DNVCBOLYSA-N 1 3 347.459 1.251 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000423772148 446697418 /nfs/dbraw/zinc/69/74/18/446697418.db2.gz KMURAZVKNVBJLF-LUXYFRNMSA-N 1 3 325.497 1.756 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000423772148 446697424 /nfs/dbraw/zinc/69/74/24/446697424.db2.gz KMURAZVKNVBJLF-LUXYFRNMSA-N 1 3 325.497 1.756 20 0 EDADHO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000423772775 446697982 /nfs/dbraw/zinc/69/79/82/446697982.db2.gz IFJQKRTWOKANKN-DOTOQJQBSA-N 1 3 347.459 1.390 20 0 EDADHO C[C@H](NC(=O)C(N)C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423861488 446733165 /nfs/dbraw/zinc/73/31/65/446733165.db2.gz COQOZONTTBXOLC-UBHSHLNASA-N 1 3 329.366 1.903 20 0 EDADHO C[C@H](NC(=O)C(N)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423861488 446733171 /nfs/dbraw/zinc/73/31/71/446733171.db2.gz COQOZONTTBXOLC-UBHSHLNASA-N 1 3 329.366 1.903 20 0 EDADHO CC(C)c1ccc([C@H](N)CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000418846204 446748056 /nfs/dbraw/zinc/74/80/56/446748056.db2.gz XLDHROUVWUIQOV-QGZVFWFLSA-N 1 3 346.475 1.136 20 0 EDADHO CC[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418872147 446764035 /nfs/dbraw/zinc/76/40/35/446764035.db2.gz WGIHRJJABVUNNQ-LSDHHAIUSA-N 1 3 340.512 1.103 20 0 EDADHO CCCC[C@H](CN)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418899086 446781511 /nfs/dbraw/zinc/78/15/11/446781511.db2.gz KLSNHJPEHFGUBU-OAHLLOKOSA-N 1 3 340.512 1.391 20 0 EDADHO CN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423951794 446794580 /nfs/dbraw/zinc/79/45/80/446794580.db2.gz PBNDKMDTDJZJJS-LJQANCHMSA-N 1 3 344.503 1.785 20 0 EDADHO C[N@@H+]1CCC[C@H](CNCCC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375453015 446810837 /nfs/dbraw/zinc/81/08/37/446810837.db2.gz NAXJVMXCULCWKC-UYAOXDASSA-N 1 3 345.487 1.908 20 0 EDADHO C[N@H+]1CCC[C@H](CNCCC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375453015 446810840 /nfs/dbraw/zinc/81/08/40/446810840.db2.gz NAXJVMXCULCWKC-UYAOXDASSA-N 1 3 345.487 1.908 20 0 EDADHO CCOC(=O)[C@](C)(O)C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1ccccc1 ZINC000375476688 446830265 /nfs/dbraw/zinc/83/02/65/446830265.db2.gz SMSWQBKGNURFJP-ZHALLVOQSA-N 1 3 334.460 1.973 20 0 EDADHO CN(CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418994240 446853149 /nfs/dbraw/zinc/85/31/49/446853149.db2.gz HRUVOVHPUUSLIL-UHFFFAOYSA-N 1 3 346.475 1.011 20 0 EDADHO Cn1cc(C(=O)NC2CCN(C3CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132754 446859792 /nfs/dbraw/zinc/85/97/92/446859792.db2.gz IOJFIPDRYDKBBN-ZDUSSCGKSA-N 1 3 331.464 1.244 20 0 EDADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000375662382 446958515 /nfs/dbraw/zinc/95/85/15/446958515.db2.gz GCQFEDZVSJVZIA-OAHLLOKOSA-N 1 3 344.484 1.991 20 0 EDADHO NCc1nnc(-c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)[nH]1 ZINC000377207003 446992781 /nfs/dbraw/zinc/99/27/81/446992781.db2.gz KVXOPROHSDNWEU-ZDUSSCGKSA-N 1 3 326.404 1.259 20 0 EDADHO CCN1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227267 447080478 /nfs/dbraw/zinc/08/04/78/447080478.db2.gz AOJJVYBWPZWFLZ-KRWDZBQOSA-N 1 3 348.491 1.563 20 0 EDADHO O=C(Nc1cccc(CN2CCC(O)CC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444173164 447087892 /nfs/dbraw/zinc/08/78/92/447087892.db2.gz CACJVCWMTVYKDW-MJGOQNOKSA-N 1 3 329.444 1.581 20 0 EDADHO CN(C)CCn1nccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455643117 447195175 /nfs/dbraw/zinc/19/51/75/447195175.db2.gz CKRQQUXUQKNFDK-UHFFFAOYSA-N 1 3 336.484 1.832 20 0 EDADHO COC1CCN(C(C)(C)CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445861695 447199884 /nfs/dbraw/zinc/19/98/84/447199884.db2.gz CXCLCILHUNUVEP-UHFFFAOYSA-N 1 3 340.512 1.659 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419478379 447210515 /nfs/dbraw/zinc/21/05/15/447210515.db2.gz JJRLPJZKHCUVEY-HZPDHXFCSA-N 1 3 340.512 1.247 20 0 EDADHO CC(C)C[C@H](CN)NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000419478379 447210522 /nfs/dbraw/zinc/21/05/22/447210522.db2.gz JJRLPJZKHCUVEY-HZPDHXFCSA-N 1 3 340.512 1.247 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000376046464 447233266 /nfs/dbraw/zinc/23/32/66/447233266.db2.gz ZKLWXODZKVRLCH-RYQLBKOJSA-N 1 3 333.476 1.719 20 0 EDADHO CC(C)N1CCN([C@@H]2CCN(C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000372737114 447258946 /nfs/dbraw/zinc/25/89/46/447258946.db2.gz DLMSEMPTIHHLAF-IAGOWNOFSA-N 1 3 339.528 1.137 20 0 EDADHO NC[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415471830 447463157 /nfs/dbraw/zinc/46/31/57/447463157.db2.gz SAKZFNHQCRGFSN-QGZVFWFLSA-N 1 3 344.459 1.213 20 0 EDADHO CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H](N)c1ccccc1)C(C)C ZINC000419925490 447494734 /nfs/dbraw/zinc/49/47/34/447494734.db2.gz IVONYDGKDBCQFK-QGZVFWFLSA-N 1 3 348.491 1.380 20 0 EDADHO C[C@@H](CNC(=O)C(=O)NC[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000419928872 447495908 /nfs/dbraw/zinc/49/59/08/447495908.db2.gz LOUJYJRRBSHMFZ-RDJZCZTQSA-N 1 3 346.475 1.041 20 0 EDADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390894613 447505212 /nfs/dbraw/zinc/50/52/12/447505212.db2.gz MXAJWBVIQLVONS-MOPGFXCFSA-N 1 3 345.487 1.926 20 0 EDADHO C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985258 447508617 /nfs/dbraw/zinc/50/86/17/447508617.db2.gz XNUMFTPEJIZBKF-QAPCUYQASA-N 1 3 331.460 1.249 20 0 EDADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000426927138 447517492 /nfs/dbraw/zinc/51/74/92/447517492.db2.gz SKZJLPPSZPRDTG-NJAFHUGGSA-N 1 3 334.508 1.098 20 0 EDADHO CCN(CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419886444 447471478 /nfs/dbraw/zinc/47/14/78/447471478.db2.gz DBQNARAJJWFNOF-HZPDHXFCSA-N 1 3 340.512 1.199 20 0 EDADHO COc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000459046774 447551476 /nfs/dbraw/zinc/55/14/76/447551476.db2.gz VCLGGMSWILLHAC-HNNXBMFYSA-N 1 3 336.480 1.719 20 0 EDADHO O=C([C@H]1CCCN1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156243 447554581 /nfs/dbraw/zinc/55/45/81/447554581.db2.gz XIUFALCFSYKNJW-ZWKOTPCHSA-N 1 3 335.492 1.717 20 0 EDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361167 447572442 /nfs/dbraw/zinc/57/24/42/447572442.db2.gz QETSGYRDNQOHAX-LSDHHAIUSA-N 1 3 329.485 1.800 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459252380 447622025 /nfs/dbraw/zinc/62/20/25/447622025.db2.gz GWOZHLWCEGICCP-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO CN(C)CCOC1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459252380 447622036 /nfs/dbraw/zinc/62/20/36/447622036.db2.gz GWOZHLWCEGICCP-INIZCTEOSA-N 1 3 340.512 1.471 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000457695045 447622873 /nfs/dbraw/zinc/62/28/73/447622873.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1CCO)[N@H+]1CCC[C@@H](C)C1 ZINC000457695045 447622877 /nfs/dbraw/zinc/62/28/77/447622877.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 1 3 340.512 1.253 20 0 EDADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594924 447661834 /nfs/dbraw/zinc/66/18/34/447661834.db2.gz SXPQFEBOAAMJQA-QGZVFWFLSA-N 1 3 328.460 1.798 20 0 EDADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000422722712 447728887 /nfs/dbraw/zinc/72/88/87/447728887.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 1 3 331.504 1.908 20 0 EDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835946 447764586 /nfs/dbraw/zinc/76/45/86/447764586.db2.gz ZKWNLOVXBSAHFL-SJORKVTESA-N 1 3 332.496 1.096 20 0 EDADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459696331 447743088 /nfs/dbraw/zinc/74/30/88/447743088.db2.gz DNHKRCZBLXDUHO-IBGZPJMESA-N 1 3 333.476 1.148 20 0 EDADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459696331 447743089 /nfs/dbraw/zinc/74/30/89/447743089.db2.gz DNHKRCZBLXDUHO-IBGZPJMESA-N 1 3 333.476 1.148 20 0 EDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782454 447749660 /nfs/dbraw/zinc/74/96/60/447749660.db2.gz MZLLFMSNJWWUDO-WDYCEAGBSA-N 1 3 327.476 1.937 20 0 EDADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422813558 447756921 /nfs/dbraw/zinc/75/69/21/447756921.db2.gz ZOPCKCIHFJBIDO-HSALFYBXSA-N 1 3 329.488 1.791 20 0 EDADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977986 447786101 /nfs/dbraw/zinc/78/61/01/447786101.db2.gz YEVPFNRQINQEBG-HHXXYDBFSA-N 1 3 332.444 1.619 20 0 EDADHO O=c1cc(CN2CCC3(CC[NH2+]C3)CC2)nc2ccc(Cl)cn12 ZINC000431025156 447790007 /nfs/dbraw/zinc/79/00/07/447790007.db2.gz ODUVZCKPSYRVBM-UHFFFAOYSA-N 1 3 332.835 1.923 20 0 EDADHO CC[NH+](CC)CC1CCN(C(=O)c2ccn(CCN(C)C)n2)CC1 ZINC000576050539 447959668 /nfs/dbraw/zinc/95/96/68/447959668.db2.gz JVFZXIVJPRZLLF-UHFFFAOYSA-N 1 3 335.496 1.639 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574990 447917044 /nfs/dbraw/zinc/91/70/44/447917044.db2.gz QAYZLEHLTWORFK-ICSRJNTNSA-N 1 3 345.487 1.470 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000530574990 447917050 /nfs/dbraw/zinc/91/70/50/447917050.db2.gz QAYZLEHLTWORFK-ICSRJNTNSA-N 1 3 345.487 1.470 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530573868 447917408 /nfs/dbraw/zinc/91/74/08/447917408.db2.gz XVHNBGJVRUSTBL-FXAWDEMLSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@H]1CCCN(CCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530573868 447917412 /nfs/dbraw/zinc/91/74/12/447917412.db2.gz XVHNBGJVRUSTBL-FXAWDEMLSA-N 1 3 345.487 1.472 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000525306322 447993401 /nfs/dbraw/zinc/99/34/01/447993401.db2.gz JZLKNVBOVKDSFE-ARFHVFGLSA-N 1 3 340.512 1.325 20 0 EDADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000531007151 447999810 /nfs/dbraw/zinc/99/98/10/447999810.db2.gz AJNMFAGBVMAHMJ-HOCLYGCPSA-N 1 3 328.526 1.453 20 0 EDADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000531007151 447999814 /nfs/dbraw/zinc/99/98/14/447999814.db2.gz AJNMFAGBVMAHMJ-HOCLYGCPSA-N 1 3 328.526 1.453 20 0 EDADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047476 448007455 /nfs/dbraw/zinc/00/74/55/448007455.db2.gz JCRKFCDBEFWZFQ-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000531047476 448007457 /nfs/dbraw/zinc/00/74/57/448007457.db2.gz JCRKFCDBEFWZFQ-PKOBYXMFSA-N 1 3 331.460 1.081 20 0 EDADHO C[C@H](CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046761 448007820 /nfs/dbraw/zinc/00/78/20/448007820.db2.gz ZNYVRTRFDQZKSH-YLJYHZDGSA-N 1 3 345.487 1.472 20 0 EDADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804200 448028643 /nfs/dbraw/zinc/02/86/43/448028643.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 1 3 330.476 1.752 20 0 EDADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)C1 ZINC000525804200 448028646 /nfs/dbraw/zinc/02/86/46/448028646.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 1 3 330.476 1.752 20 0 EDADHO NCc1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844767 448154984 /nfs/dbraw/zinc/15/49/84/448154984.db2.gz FHVYXOHCQQPZPY-INIZCTEOSA-N 1 3 338.415 1.828 20 0 EDADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844767 448154989 /nfs/dbraw/zinc/15/49/89/448154989.db2.gz FHVYXOHCQQPZPY-INIZCTEOSA-N 1 3 338.415 1.828 20 0 EDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695789 448129509 /nfs/dbraw/zinc/12/95/09/448129509.db2.gz XBAKOCBALDZYCM-FRFSOERESA-N 1 3 347.459 1.241 20 0 EDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695789 448129515 /nfs/dbraw/zinc/12/95/15/448129515.db2.gz XBAKOCBALDZYCM-FRFSOERESA-N 1 3 347.459 1.241 20 0 EDADHO CC(C)Cc1ncc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000527153640 448172010 /nfs/dbraw/zinc/17/20/10/448172010.db2.gz ANSXZCCKPWTRFL-UHFFFAOYSA-N 1 3 336.484 1.632 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)COCC2 ZINC000527126254 448164665 /nfs/dbraw/zinc/16/46/65/448164665.db2.gz KMXLABIXPIOOGN-UHFFFAOYSA-N 1 3 341.481 1.173 20 0 EDADHO CCOC(=O)Cn1nc(C)c(CNCc2ccc(C[NH3+])cc2)c1C ZINC000582420867 448233152 /nfs/dbraw/zinc/23/31/52/448233152.db2.gz MLFSXHVOHDXGFV-UHFFFAOYSA-N 1 3 330.432 1.812 20 0 EDADHO O=C(C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCOCC1 ZINC000582425791 448236384 /nfs/dbraw/zinc/23/63/84/448236384.db2.gz NWISDYVQOPUVGO-UHFFFAOYSA-N 1 3 343.471 1.403 20 0 EDADHO COc1ccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000515142506 448264899 /nfs/dbraw/zinc/26/48/99/448264899.db2.gz BSYWACQTBYEWQL-GOSISDBHSA-N 1 3 346.475 1.883 20 0 EDADHO O=C(NC[C@@H]1NCCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000515621147 448335632 /nfs/dbraw/zinc/33/56/32/448335632.db2.gz ZGTLTWNRZFGNJN-KRWDZBQOSA-N 1 3 328.460 1.659 20 0 EDADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000566199623 448414008 /nfs/dbraw/zinc/41/40/08/448414008.db2.gz VPAFWBVIFITVMK-CRAIPNDOSA-N 1 3 330.476 1.879 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000577748783 448378384 /nfs/dbraw/zinc/37/83/84/448378384.db2.gz QTHIYCFYYSSLTP-HKUYNNGSSA-N 1 3 345.487 1.833 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)NC2CC2)c1 ZINC000566288349 448434905 /nfs/dbraw/zinc/43/49/05/448434905.db2.gz DCNRNUODKYWUIA-AWEZNQCLSA-N 1 3 346.475 1.837 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@]3(C)CCOC3)CC2)CC1 ZINC000578337009 448522321 /nfs/dbraw/zinc/52/23/21/448522321.db2.gz WPAAQHVMFYSHTK-IBGZPJMESA-N 1 3 337.508 1.726 20 0 EDADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513015 448565438 /nfs/dbraw/zinc/56/54/38/448565438.db2.gz IBNNHRITDYSFAU-IAGOWNOFSA-N 1 3 335.496 1.709 20 0 EDADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513015 448565444 /nfs/dbraw/zinc/56/54/44/448565444.db2.gz IBNNHRITDYSFAU-IAGOWNOFSA-N 1 3 335.496 1.709 20 0 EDADHO CCc1ccccc1[C@@H](N)CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000517338223 448573143 /nfs/dbraw/zinc/57/31/43/448573143.db2.gz NPOZQVPPMPGFHF-WMZOPIPTSA-N 1 3 341.459 1.800 20 0 EDADHO COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)N2CCCC2)cc1 ZINC000517098204 448538689 /nfs/dbraw/zinc/53/86/89/448538689.db2.gz OHFOEFVDMRLRJI-AEFFLSMTSA-N 1 3 346.475 1.883 20 0 EDADHO CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000517975110 448638290 /nfs/dbraw/zinc/63/82/90/448638290.db2.gz CEMMDLPEIORLNQ-HOTGVXAUSA-N 1 3 326.485 1.079 20 0 EDADHO COC[C@]1(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548984 448654633 /nfs/dbraw/zinc/65/46/33/448654633.db2.gz PTRXFYRDBPFHCC-ZIFCJYIRSA-N 1 3 346.475 1.500 20 0 EDADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CN(C(C)C)C3)CC2)CC1 ZINC000518214272 448655430 /nfs/dbraw/zinc/65/54/30/448655430.db2.gz RDFFWTHPURJBEE-UHFFFAOYSA-N 1 3 336.524 1.392 20 0 EDADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc12 ZINC000573445661 448629761 /nfs/dbraw/zinc/62/97/61/448629761.db2.gz PPQBBYGJOMBBQK-SJORKVTESA-N 1 3 329.448 1.605 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000568301463 448852969 /nfs/dbraw/zinc/85/29/69/448852969.db2.gz ICLBAAGTQJDIEL-UHFFFAOYSA-N 1 3 336.480 1.824 20 0 EDADHO CN(C)C1(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000579815048 448883044 /nfs/dbraw/zinc/88/30/44/448883044.db2.gz YCVGUWDUHSFZDX-SFHVURJKSA-N 1 3 344.503 1.902 20 0 EDADHO CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CC(C)(C)[NH3+] ZINC000592559051 448901326 /nfs/dbraw/zinc/90/13/26/448901326.db2.gz WNZJCJFFGODMPK-AWEZNQCLSA-N 1 3 327.469 1.380 20 0 EDADHO CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000568738781 448913478 /nfs/dbraw/zinc/91/34/78/448913478.db2.gz TUBZFEVRTBEANP-ZWKOTPCHSA-N 1 3 346.475 1.281 20 0 EDADHO C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccccc1 ZINC000547787128 448929746 /nfs/dbraw/zinc/92/97/46/448929746.db2.gz GBCVNZYFJAKHEX-WNRNVDISSA-N 1 3 331.460 1.108 20 0 EDADHO CN(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)C1CC1)c1ccccc1Cl ZINC000574804114 448959685 /nfs/dbraw/zinc/95/96/85/448959685.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 1 3 325.884 1.987 20 0 EDADHO O=C(NC[C@@H]1CCC[NH2+]1)NC1CCN(CCc2ccccc2)CC1 ZINC000521216067 448962812 /nfs/dbraw/zinc/96/28/12/448962812.db2.gz QYTSUPHZXYVHSQ-SFHVURJKSA-N 1 3 330.476 1.745 20 0 EDADHO Cc1ccc(NC(=O)CCNC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1 ZINC000569110949 448963503 /nfs/dbraw/zinc/96/35/03/448963503.db2.gz KCGVLXAYQDGKQX-IAGOWNOFSA-N 1 3 346.475 1.686 20 0 EDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000581065764 448965187 /nfs/dbraw/zinc/96/51/87/448965187.db2.gz PYIZUCVULSLGIW-WBVHZDCISA-N 1 3 325.460 2.533 20 0 EDADHO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000569220494 448982966 /nfs/dbraw/zinc/98/29/66/448982966.db2.gz NQMLLMYDHVFQKO-HNNXBMFYSA-N 1 3 331.464 1.694 20 0 EDADHO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000569220494 448982970 /nfs/dbraw/zinc/98/29/70/448982970.db2.gz NQMLLMYDHVFQKO-HNNXBMFYSA-N 1 3 331.464 1.694 20 0 EDADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172898 449053910 /nfs/dbraw/zinc/05/39/10/449053910.db2.gz SNDNNAOHNMKUQP-WJFTUGDTSA-N 1 3 337.508 1.111 20 0 EDADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@H]2CNCCO2)CC1 ZINC000575172898 449053915 /nfs/dbraw/zinc/05/39/15/449053915.db2.gz SNDNNAOHNMKUQP-WJFTUGDTSA-N 1 3 337.508 1.111 20 0 EDADHO CC[C@H]1CCCCN1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960420 449084964 /nfs/dbraw/zinc/08/49/64/449084964.db2.gz ZXENJIWQGWQMKC-CABCVRRESA-N 1 3 333.480 1.714 20 0 EDADHO O=C(NCCN1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256690 449067963 /nfs/dbraw/zinc/06/79/63/449067963.db2.gz WQRQNLVRTAEJQN-LJQANCHMSA-N 1 3 331.460 1.226 20 0 EDADHO O=C(NCCN1CCCCC1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000522256690 449067966 /nfs/dbraw/zinc/06/79/66/449067966.db2.gz WQRQNLVRTAEJQN-LJQANCHMSA-N 1 3 331.460 1.226 20 0 EDADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227630 449088317 /nfs/dbraw/zinc/08/83/17/449088317.db2.gz UJPOSJUHEXPYQS-HAGHYFMRSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227630 449088322 /nfs/dbraw/zinc/08/83/22/449088322.db2.gz UJPOSJUHEXPYQS-HAGHYFMRSA-N 1 3 329.488 1.865 20 0 EDADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227630 449088328 /nfs/dbraw/zinc/08/83/28/449088328.db2.gz UJPOSJUHEXPYQS-HAGHYFMRSA-N 1 3 329.488 1.865 20 0 EDADHO COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CC1 ZINC000597942775 449152417 /nfs/dbraw/zinc/15/24/17/449152417.db2.gz OHKFGSUEWJHWDN-JYJNAYRXSA-N 1 3 341.496 1.354 20 0 EDADHO COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CC1 ZINC000597942775 449152420 /nfs/dbraw/zinc/15/24/20/449152420.db2.gz OHKFGSUEWJHWDN-JYJNAYRXSA-N 1 3 341.496 1.354 20 0 EDADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000605986388 449435297 /nfs/dbraw/zinc/43/52/97/449435297.db2.gz UFWZPADNEUQLAK-QGZVFWFLSA-N 1 3 339.528 1.186 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000617012628 449431572 /nfs/dbraw/zinc/43/15/72/449431572.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 1 3 345.487 1.612 20 0 EDADHO CC(C)(C)N1CC[C@@H]1CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000617012628 449431579 /nfs/dbraw/zinc/43/15/79/449431579.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 1 3 345.487 1.612 20 0 EDADHO CC[C@H](C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427047 449382061 /nfs/dbraw/zinc/38/20/61/449382061.db2.gz NZNZNOPNIHIEGR-HZPDHXFCSA-N 1 3 338.496 1.048 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000617506556 449657179 /nfs/dbraw/zinc/65/71/79/449657179.db2.gz SDYMSUUCYHLSJH-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(-n2ccnn2)cc1 ZINC000617506556 449657184 /nfs/dbraw/zinc/65/71/84/449657184.db2.gz SDYMSUUCYHLSJH-HNNXBMFYSA-N 1 3 344.463 1.269 20 0 EDADHO CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508015 449639088 /nfs/dbraw/zinc/63/90/88/449639088.db2.gz YSWJBGVPFCQNNG-HZPDHXFCSA-N 1 3 337.464 1.300 20 0 EDADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215200 449754923 /nfs/dbraw/zinc/75/49/23/449754923.db2.gz UFXQZVTXWWQRSX-SFHVURJKSA-N 1 3 346.475 1.017 20 0 EDADHO COC(=O)CCCCN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000599331974 449899128 /nfs/dbraw/zinc/89/91/28/449899128.db2.gz NVJDSSYRDAWJQR-UHFFFAOYSA-N 1 3 325.497 1.820 20 0 EDADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617975554 449957267 /nfs/dbraw/zinc/95/72/67/449957267.db2.gz XQFMBCSAQFKMCR-MRXNPFEDSA-N 1 3 330.476 1.752 20 0 EDADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612966176 449961334 /nfs/dbraw/zinc/96/13/34/449961334.db2.gz NQMVBVGVSMHHOS-DLBZAZTESA-N 1 3 330.476 1.601 20 0 EDADHO CCN1CCC([N@@H+]2CCCN(CCCCC(=O)OC)CC2)CC1 ZINC000599440900 449977305 /nfs/dbraw/zinc/97/73/05/449977305.db2.gz UPANJFWHWZEYIL-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CCN1CCC([N@H+]2CCCN(CCCCC(=O)OC)CC2)CC1 ZINC000599440900 449977311 /nfs/dbraw/zinc/97/73/11/449977311.db2.gz UPANJFWHWZEYIL-UHFFFAOYSA-N 1 3 325.497 1.822 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000615262476 450025723 /nfs/dbraw/zinc/02/57/23/450025723.db2.gz GHDIKWHINPCBOO-QRQLOZEOSA-N 1 3 349.519 1.963 20 0 EDADHO CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000615262476 450025725 /nfs/dbraw/zinc/02/57/25/450025725.db2.gz GHDIKWHINPCBOO-QRQLOZEOSA-N 1 3 349.519 1.963 20 0 EDADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000616781440 450483654 /nfs/dbraw/zinc/48/36/54/450483654.db2.gz KYZZSDLIBVHJMU-HZPDHXFCSA-N 1 3 340.512 1.214 20 0 EDADHO COc1cc([C@@H](C)NCCOCCC[NH3+])ccc1S(C)(=O)=O ZINC000629541621 450727635 /nfs/dbraw/zinc/72/76/35/450727635.db2.gz SINGUMJFYZOXLX-GFCCVEGCSA-N 1 3 330.450 1.115 20 0 EDADHO CN(C)CCn1c2cc(C(=O)NCC[NH+]3CCCC3)ccc2[nH]c1=O ZINC000635136427 450681356 /nfs/dbraw/zinc/68/13/56/450681356.db2.gz WUILBEKXIKRPRB-UHFFFAOYSA-N 1 3 345.447 1.129 20 0 EDADHO CN(C)CCC[N@H+](C)CCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621335785 450688800 /nfs/dbraw/zinc/68/88/00/450688800.db2.gz ZAIDPKRDXHSPAJ-UHFFFAOYSA-N 1 3 345.466 2.502 20 0 EDADHO CN(C)CCC[N@@H+](C)CCNc1ccnc(Cc2ccc(F)cc2)n1 ZINC000621335785 450688805 /nfs/dbraw/zinc/68/88/05/450688805.db2.gz ZAIDPKRDXHSPAJ-UHFFFAOYSA-N 1 3 345.466 2.502 20 0 EDADHO O=C(NCCN1CC[C@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629482523 450707528 /nfs/dbraw/zinc/70/75/28/450707528.db2.gz WHJFCLRLMXLSQW-SFHVURJKSA-N 1 3 346.475 1.017 20 0 EDADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122507 450715612 /nfs/dbraw/zinc/71/56/12/450715612.db2.gz TWWSFVLTLILJAV-KBPBESRZSA-N 1 3 325.478 1.717 20 0 EDADHO COc1ccccc1N1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629559227 450736330 /nfs/dbraw/zinc/73/63/30/450736330.db2.gz QPITUHCEMBLMST-QGZVFWFLSA-N 1 3 333.476 1.710 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000635254804 450786683 /nfs/dbraw/zinc/78/66/83/450786683.db2.gz IGODEPWFMCUPSY-IMFGXOCKSA-N 1 3 345.487 1.591 20 0 EDADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2)N(C)C ZINC000635254804 450786686 /nfs/dbraw/zinc/78/66/86/450786686.db2.gz IGODEPWFMCUPSY-IMFGXOCKSA-N 1 3 345.487 1.591 20 0 EDADHO CN1CCN(Cc2ccccc2-c2cnn(CC[NH+](C)C)c2)CC1 ZINC000629735383 450794377 /nfs/dbraw/zinc/79/43/77/450794377.db2.gz ULXRNEQLHBIHEB-UHFFFAOYSA-N 1 3 327.476 1.859 20 0 EDADHO Cn1c2cc(CN3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2oc1=O ZINC000631828189 450800925 /nfs/dbraw/zinc/80/09/25/450800925.db2.gz IAZKAHWUJSDYFI-YJBOKZPZSA-N 1 3 345.443 1.850 20 0 EDADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965009 450922982 /nfs/dbraw/zinc/92/29/82/450922982.db2.gz QTQOVQDEKBVGAY-DLBZAZTESA-N 1 3 345.553 1.854 20 0 EDADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)CCCN(C)C)C1 ZINC000631965009 450922985 /nfs/dbraw/zinc/92/29/85/450922985.db2.gz QTQOVQDEKBVGAY-DLBZAZTESA-N 1 3 345.553 1.854 20 0 EDADHO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)CCCN1CCCC1 ZINC000631930989 450889294 /nfs/dbraw/zinc/88/92/94/450889294.db2.gz CYIRPLPOKHEHDQ-UHFFFAOYSA-N 1 3 325.478 1.263 20 0 EDADHO CCN(CCN)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000626854672 450962712 /nfs/dbraw/zinc/96/27/12/450962712.db2.gz UWGPPEYDDNOLQB-UHFFFAOYSA-N 1 3 346.475 1.461 20 0 EDADHO C[C@@H](NC(C)(C)CNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626977942 451046039 /nfs/dbraw/zinc/04/60/39/451046039.db2.gz HNSNSFWNZCJQSZ-OAHLLOKOSA-N 1 3 348.491 1.923 20 0 EDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000627013221 451078646 /nfs/dbraw/zinc/07/86/46/451078646.db2.gz MYWUYKBCMXHRTL-OWLYRPNTSA-N 1 3 330.476 1.947 20 0 EDADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163060 451157710 /nfs/dbraw/zinc/15/77/10/451157710.db2.gz SXPOHSQIKXDMPT-UHFFFAOYSA-N 1 3 340.512 1.648 20 0 EDADHO COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627204789 451185886 /nfs/dbraw/zinc/18/58/86/451185886.db2.gz FRSKVEYEBIDQGV-UNEWFSDZSA-N 1 3 334.464 1.738 20 0 EDADHO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Nc2ccncc2)cc1 ZINC000640322998 451251931 /nfs/dbraw/zinc/25/19/31/451251931.db2.gz JOGFBHPZQNMDIK-GOSISDBHSA-N 1 3 340.427 1.434 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000638098609 451263815 /nfs/dbraw/zinc/26/38/15/451263815.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 1 3 332.492 1.436 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000638098609 451263821 /nfs/dbraw/zinc/26/38/21/451263821.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 1 3 332.492 1.436 20 0 EDADHO COCCN(C)CCOc1cccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638100681 451266515 /nfs/dbraw/zinc/26/65/15/451266515.db2.gz SAFGPGZQHNXKCA-QGZVFWFLSA-N 1 3 347.459 1.307 20 0 EDADHO [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCOC1 ZINC000638118189 451287296 /nfs/dbraw/zinc/28/72/96/451287296.db2.gz QOROXMICMHJFIF-HKUYNNGSSA-N 1 3 331.460 1.523 20 0 EDADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160993 451329774 /nfs/dbraw/zinc/32/97/74/451329774.db2.gz MWBIKBKEBWYNCB-GOSISDBHSA-N 1 3 342.443 1.422 20 0 EDADHO CN1CCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638171401 451334958 /nfs/dbraw/zinc/33/49/58/451334958.db2.gz VNSLYFHVOVZUEE-UHFFFAOYSA-N 1 3 344.503 1.534 20 0 EDADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC000638201041 451352513 /nfs/dbraw/zinc/35/25/13/451352513.db2.gz AGDXVURHQCDNBB-TZMCWYRMSA-N 1 3 345.447 1.031 20 0 EDADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636629662 451367540 /nfs/dbraw/zinc/36/75/40/451367540.db2.gz UVHNHSAHGAYBJN-NJAFHUGGSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636629662 451367545 /nfs/dbraw/zinc/36/75/45/451367545.db2.gz UVHNHSAHGAYBJN-NJAFHUGGSA-N 1 3 346.475 1.188 20 0 EDADHO C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)CN(C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357455 451457643 /nfs/dbraw/zinc/45/76/43/451457643.db2.gz MHQWFNXZONWNHM-MXSMSXNCSA-N 1 3 332.492 1.278 20 0 EDADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)[C@]12CCCO2 ZINC000638357789 451459277 /nfs/dbraw/zinc/45/92/77/451459277.db2.gz ZFYCWNPIULQSIU-RCCFBDPRSA-N 1 3 325.497 1.329 20 0 EDADHO O[C@@]1(CNCCO[C@H]2CC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634649509 451443732 /nfs/dbraw/zinc/44/37/32/451443732.db2.gz OVWOSCITLLOLCD-JKSUJKDBSA-N 1 3 326.387 1.637 20 0 EDADHO O[C@@]1(CNCCO[C@H]2CC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649509 451443739 /nfs/dbraw/zinc/44/37/39/451443739.db2.gz OVWOSCITLLOLCD-JKSUJKDBSA-N 1 3 326.387 1.637 20 0 EDADHO OCCN1CCCC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721008 451501478 /nfs/dbraw/zinc/50/14/78/451501478.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 1 3 347.503 1.060 20 0 EDADHO OCCN1CCCC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721008 451501481 /nfs/dbraw/zinc/50/14/81/451501481.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 1 3 347.503 1.060 20 0 EDADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)C1 ZINC000638415556 451501524 /nfs/dbraw/zinc/50/15/24/451501524.db2.gz IHBIIKGSLISKRC-BJLQDIEVSA-N 1 3 345.487 1.529 20 0 EDADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638415789 451501556 /nfs/dbraw/zinc/50/15/56/451501556.db2.gz LPHQFKUPGGWMJZ-AZUAARDMSA-N 1 3 345.487 1.517 20 0 EDADHO Cn1cc(CCC[NH2+]CCCN2CCN(c3ccncc3)CC2)cn1 ZINC000638459526 451525840 /nfs/dbraw/zinc/52/58/40/451525840.db2.gz CLIQBIIVCZZQTQ-UHFFFAOYSA-N 1 3 342.491 1.550 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CN1C1CC1 ZINC000636907001 451597117 /nfs/dbraw/zinc/59/71/17/451597117.db2.gz HJBUIHMDFZYLJZ-ZIAGYGMSSA-N 1 3 346.479 1.897 20 0 EDADHO CC(C)(O)CN1CCC([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000638669931 451642038 /nfs/dbraw/zinc/64/20/38/451642038.db2.gz YDZZGHVYCDSHKE-INIZCTEOSA-N 1 3 339.524 1.312 20 0 EDADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccccc3F)CC2)C1 ZINC000634999034 451642181 /nfs/dbraw/zinc/64/21/81/451642181.db2.gz PBGIQCINGWMDNU-HNNXBMFYSA-N 1 3 349.450 1.866 20 0 EDADHO CN(C)CCn1cc(C(=O)NCCCCC[NH+]2CCCCC2)cn1 ZINC000631228434 451650070 /nfs/dbraw/zinc/65/00/70/451650070.db2.gz WJCXNZZJOQPNAD-UHFFFAOYSA-N 1 3 335.496 1.831 20 0 EDADHO Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCCN(C)C)c1 ZINC000632934385 451659339 /nfs/dbraw/zinc/65/93/39/451659339.db2.gz RMBCEHUSMUAZCB-GASCZTMLSA-N 1 3 332.448 1.904 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccn1 ZINC000637028986 451687552 /nfs/dbraw/zinc/68/75/52/451687552.db2.gz PHRAPUDDELUUBS-IAGOWNOFSA-N 1 3 346.475 1.578 20 0 EDADHO CN(C)CCOc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccn1 ZINC000637028986 451687556 /nfs/dbraw/zinc/68/75/56/451687556.db2.gz PHRAPUDDELUUBS-IAGOWNOFSA-N 1 3 346.475 1.578 20 0 EDADHO CCO[C@@H]1C[C@@](N)(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000638876541 451716469 /nfs/dbraw/zinc/71/64/69/451716469.db2.gz JISFQJOJLDNLBK-FRQCXROJSA-N 1 3 333.476 1.595 20 0 EDADHO CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@@H](N)C(C)(C)C)nn2)CC1 ZINC000641046769 451741318 /nfs/dbraw/zinc/74/13/18/451741318.db2.gz DYCNNFRYYUAUNN-MRXNPFEDSA-N 1 3 336.484 1.313 20 0 EDADHO CCN1CCN(CCC(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000639066920 451760757 /nfs/dbraw/zinc/76/07/57/451760757.db2.gz FYEUFHWDLJXXNL-MRXNPFEDSA-N 1 3 330.476 1.493 20 0 EDADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000639206173 451791562 /nfs/dbraw/zinc/79/15/62/451791562.db2.gz NLXPJLIGPOPVGP-JKSUJKDBSA-N 1 3 338.496 1.016 20 0 EDADHO Cc1cccc2c1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000637359154 451799073 /nfs/dbraw/zinc/79/90/73/451799073.db2.gz VBJGBKMCMHKFOX-INIZCTEOSA-N 1 3 348.491 1.433 20 0 EDADHO Cc1cccc2c1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CO2 ZINC000637359155 451799104 /nfs/dbraw/zinc/79/91/04/451799104.db2.gz VBJGBKMCMHKFOX-MRXNPFEDSA-N 1 3 348.491 1.433 20 0 EDADHO CN1CCC(C[NH2+]CC2CCSCC2)(N2CCOCC2)CC1 ZINC000639261594 451800237 /nfs/dbraw/zinc/80/02/37/451800237.db2.gz OYMBDIOQFDXWPT-UHFFFAOYSA-N 1 3 327.538 1.516 20 0 EDADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000644561603 451861477 /nfs/dbraw/zinc/86/14/77/451861477.db2.gz CHGMUDJGKGTHDM-HKUYNNGSSA-N 1 3 335.467 1.487 20 0 EDADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644562014 451863425 /nfs/dbraw/zinc/86/34/25/451863425.db2.gz NZXAFSVMUQNVFT-IMFGXOCKSA-N 1 3 331.504 1.909 20 0 EDADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721334 452046569 /nfs/dbraw/zinc/04/65/69/452046569.db2.gz ZRRCTQMPQVPZAW-IEBWSBKVSA-N 1 3 348.491 1.181 20 0 EDADHO CCN(C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075455 /nfs/dbraw/zinc/07/54/55/452075455.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 1 3 325.884 1.987 20 0 EDADHO C[NH+](C)CCCNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000643216546 452076337 /nfs/dbraw/zinc/07/63/37/452076337.db2.gz BMSIFCGYVYKIRV-UHFFFAOYSA-N 1 3 332.492 1.944 20 0 EDADHO CN1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C(C)(C)C ZINC000639748318 452089681 /nfs/dbraw/zinc/08/96/81/452089681.db2.gz MPKFDUIEYCIUIO-QGZVFWFLSA-N 1 3 336.524 1.392 20 0 EDADHO COCCCN1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647178515 452108627 /nfs/dbraw/zinc/10/86/27/452108627.db2.gz WQNLDLIZYZYJJN-UHFFFAOYSA-N 1 3 329.448 1.858 20 0 EDADHO C[NH+](C)C[C@@]1(O)CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769398 452111516 /nfs/dbraw/zinc/11/15/16/452111516.db2.gz YHRXITBDHXEVEC-XLIONFOSSA-N 1 3 345.487 1.537 20 0 EDADHO C[NH+](C)C[C@]1(O)CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769395 452111562 /nfs/dbraw/zinc/11/15/62/452111562.db2.gz YHRXITBDHXEVEC-FXAWDEMLSA-N 1 3 345.487 1.537 20 0 EDADHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)CN(C)Cc2ccccc2)CC1 ZINC000637860671 452118663 /nfs/dbraw/zinc/11/86/63/452118663.db2.gz CAUWJVAXBINFOG-SFHVURJKSA-N 1 3 332.492 1.294 20 0 EDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC[C@@H]1CCOC1 ZINC000643464427 452234603 /nfs/dbraw/zinc/23/46/03/452234603.db2.gz WJHOSEYJXAFDHW-SZVBFZGTSA-N 1 3 332.444 1.885 20 0 EDADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCN1C ZINC000659460819 452314556 /nfs/dbraw/zinc/31/45/56/452314556.db2.gz UIMQOPLBIONPBC-BZZMCLGOSA-N 1 3 330.476 1.914 20 0 EDADHO CN1CCC(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638050097 452321367 /nfs/dbraw/zinc/32/13/67/452321367.db2.gz KCUICFWYWNNKOV-UHFFFAOYSA-N 1 3 344.503 1.580 20 0 EDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCc1cnc(N2CCCC2)nc1 ZINC000657574318 452342871 /nfs/dbraw/zinc/34/28/71/452342871.db2.gz WDOHNWZYWAHLNN-INIZCTEOSA-N 1 3 334.512 1.438 20 0 EDADHO CN(C)C1(CNC(=O)NCCC2(C[NH3+])CC2)Cc2ccccc2C1 ZINC000652157781 452350671 /nfs/dbraw/zinc/35/06/71/452350671.db2.gz LCDACTWFVBJXIP-UHFFFAOYSA-N 1 3 330.476 1.514 20 0 EDADHO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000659491965 452352907 /nfs/dbraw/zinc/35/29/07/452352907.db2.gz GYPJNFGGWFTMAB-AWEZNQCLSA-N 1 3 334.464 1.567 20 0 EDADHO Cc1ccccc1CN1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638063543 452360890 /nfs/dbraw/zinc/36/08/90/452360890.db2.gz VLFASDSTODBZRJ-HXUWFJFHSA-N 1 3 345.487 1.785 20 0 EDADHO CC1CC[NH+](Cc2ccc(CNC(=O)CN3CCNCC3)cc2)CC1 ZINC000638063345 452361494 /nfs/dbraw/zinc/36/14/94/452361494.db2.gz LUDJBABPOQNCSI-UHFFFAOYSA-N 1 3 344.503 1.440 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361492 /nfs/dbraw/zinc/36/14/92/452361492.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 1 3 329.488 1.970 20 0 EDADHO O[C@@H]1CCN(Cc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361498 /nfs/dbraw/zinc/36/14/98/452361498.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 1 3 329.488 1.970 20 0 EDADHO [NH3+]C[C@@H](NC(=O)NCC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000659518420 452381852 /nfs/dbraw/zinc/38/18/52/452381852.db2.gz IDDWTBMOJISSFL-QGZVFWFLSA-N 1 3 331.464 1.330 20 0 EDADHO CN(C)CCn1nccc1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640170436 452484090 /nfs/dbraw/zinc/48/40/90/452484090.db2.gz BVWUJPVZWSHJCN-UHFFFAOYSA-N 1 3 348.495 1.927 20 0 EDADHO CN(C)CCN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655687408 452509870 /nfs/dbraw/zinc/50/98/70/452509870.db2.gz OAVUYTPNIXSZSP-LJQANCHMSA-N 1 3 338.540 1.245 20 0 EDADHO O=C(NCCCCC[NH+]1CCCCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654452773 452516355 /nfs/dbraw/zinc/51/63/55/452516355.db2.gz WILNDLOWUQAWDP-DLBZAZTESA-N 1 3 338.496 1.103 20 0 EDADHO [NH3+]C[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000655913228 452672550 /nfs/dbraw/zinc/67/25/50/452672550.db2.gz SRFKKKHMJLBECH-AWEZNQCLSA-N 1 3 344.381 1.794 20 0 EDADHO CC[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC[C@@H]1[NH3+] ZINC000647934456 452676681 /nfs/dbraw/zinc/67/66/81/452676681.db2.gz GFXSNYMLWUJZOH-NJAFHUGGSA-N 1 3 332.492 1.465 20 0 EDADHO C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)N(C)C1CC1 ZINC000663998028 452699849 /nfs/dbraw/zinc/69/98/49/452699849.db2.gz IFXFUAGLJLRWHU-HOCLYGCPSA-N 1 3 326.485 1.221 20 0 EDADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000661954084 452716219 /nfs/dbraw/zinc/71/62/19/452716219.db2.gz UHKMBWWUGNQICI-YESZJQIVSA-N 1 3 338.496 1.148 20 0 EDADHO Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000666280675 452740076 /nfs/dbraw/zinc/74/00/76/452740076.db2.gz XRSSVOPKJWZRKQ-AWEZNQCLSA-N 1 3 337.468 1.087 20 0 EDADHO Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000666280675 452740083 /nfs/dbraw/zinc/74/00/83/452740083.db2.gz XRSSVOPKJWZRKQ-AWEZNQCLSA-N 1 3 337.468 1.087 20 0 EDADHO CCN1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664077952 452773245 /nfs/dbraw/zinc/77/32/45/452773245.db2.gz VNKVTCDPGHGBBR-SJORKVTESA-N 1 3 340.512 1.613 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000654671335 452786603 /nfs/dbraw/zinc/78/66/03/452786603.db2.gz JYKCHADNKYVSNG-QGZVFWFLSA-N 1 3 341.459 1.905 20 0 EDADHO CN(C)CCn1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000654671335 452786607 /nfs/dbraw/zinc/78/66/07/452786607.db2.gz JYKCHADNKYVSNG-QGZVFWFLSA-N 1 3 341.459 1.905 20 0 EDADHO C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000664181816 452849427 /nfs/dbraw/zinc/84/94/27/452849427.db2.gz MIPWWTWXMDWMHC-SJORKVTESA-N 1 3 338.496 1.223 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccoc1 ZINC000666481579 452898679 /nfs/dbraw/zinc/89/86/79/452898679.db2.gz XHLHUXHWUFVMCA-KRWDZBQOSA-N 1 3 336.480 1.880 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCc1ccoc1 ZINC000666481579 452898688 /nfs/dbraw/zinc/89/86/88/452898688.db2.gz XHLHUXHWUFVMCA-KRWDZBQOSA-N 1 3 336.480 1.880 20 0 EDADHO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000650758813 452976166 /nfs/dbraw/zinc/97/61/66/452976166.db2.gz XZFUZRYRVNYYCS-ZDUSSCGKSA-N 1 3 333.457 1.904 20 0 EDADHO CO[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCOC1 ZINC000660107141 453031147 /nfs/dbraw/zinc/03/11/47/453031147.db2.gz MLFVHFVQCQNUJK-MJGOQNOKSA-N 1 3 339.524 1.528 20 0 EDADHO Cc1cnn(CCN2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338325 453056328 /nfs/dbraw/zinc/05/63/28/453056328.db2.gz QJDOKZLKXADCTA-MRXNPFEDSA-N 1 3 343.479 1.204 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000662338735 453056853 /nfs/dbraw/zinc/05/68/53/453056853.db2.gz VCJYBMCHECIURG-INIZCTEOSA-N 1 3 333.480 1.425 20 0 EDADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000662338735 453056859 /nfs/dbraw/zinc/05/68/59/453056859.db2.gz VCJYBMCHECIURG-INIZCTEOSA-N 1 3 333.480 1.425 20 0 EDADHO Clc1ccccc1Cn1cc(CNCCCN2CC[NH2+]CC2)cn1 ZINC000666736794 453106115 /nfs/dbraw/zinc/10/61/15/453106115.db2.gz IBODULHKGSHNPD-UHFFFAOYSA-N 1 3 347.894 1.970 20 0 EDADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000664450798 453107339 /nfs/dbraw/zinc/10/73/39/453107339.db2.gz RIEUVPFWKCUIOM-HNNXBMFYSA-N 1 3 346.479 1.406 20 0 EDADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000664450798 453107342 /nfs/dbraw/zinc/10/73/42/453107342.db2.gz RIEUVPFWKCUIOM-HNNXBMFYSA-N 1 3 346.479 1.406 20 0 EDADHO O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338149 453329382 /nfs/dbraw/zinc/32/93/82/453329382.db2.gz CBVDVGARPNIOPD-KURKYZTESA-N 1 3 328.460 1.504 20 0 EDADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653140088 453330003 /nfs/dbraw/zinc/33/00/03/453330003.db2.gz LRMZKTHTAXTKHU-MRXNPFEDSA-N 1 3 342.434 1.134 20 0 EDADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000667041713 453357704 /nfs/dbraw/zinc/35/77/04/453357704.db2.gz LCQRFFJFCVHSRV-IEBWSBKVSA-N 1 3 341.459 1.986 20 0 EDADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000655247208 453371078 /nfs/dbraw/zinc/37/10/78/453371078.db2.gz WOXFTPDKFSSXQV-IZAXUBKRSA-N 1 3 344.503 1.655 20 0 EDADHO NC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183699 453373077 /nfs/dbraw/zinc/37/30/77/453373077.db2.gz IMOPDKXAOICKKX-RANZSIQMSA-N 1 3 349.450 1.613 20 0 EDADHO CCCN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142354 453433696 /nfs/dbraw/zinc/43/36/96/453433696.db2.gz PAZZLOOIBZJQCK-UHFFFAOYSA-N 1 3 332.448 1.418 20 0 EDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000667152867 453441760 /nfs/dbraw/zinc/44/17/60/453441760.db2.gz IJZXPKZKBHICDP-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000667152867 453441767 /nfs/dbraw/zinc/44/17/67/453441767.db2.gz IJZXPKZKBHICDP-AWEZNQCLSA-N 1 3 346.475 1.507 20 0 EDADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662720915 453445379 /nfs/dbraw/zinc/44/53/79/453445379.db2.gz GEHCBMQCFPECNE-FHLIZLRMSA-N 1 3 331.460 1.692 20 0 EDADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000662742605 453469408 /nfs/dbraw/zinc/46/94/08/453469408.db2.gz FQHJDFYDZUCBQI-KRWDZBQOSA-N 1 3 346.475 1.183 20 0 EDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc3c2CCNC3)C1 ZINC000662832383 453557902 /nfs/dbraw/zinc/55/79/02/453557902.db2.gz VOBKBDPARWMCNT-MNEFBYGVSA-N 1 3 343.471 1.833 20 0 EDADHO Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cn1 ZINC000665069755 453564200 /nfs/dbraw/zinc/56/42/00/453564200.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 1 3 335.496 1.770 20 0 EDADHO Cc1cc(C)c(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cn1 ZINC000665069755 453564202 /nfs/dbraw/zinc/56/42/02/453564202.db2.gz YZZXASJARUNVIF-INIZCTEOSA-N 1 3 335.496 1.770 20 0 EDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662860707 453576890 /nfs/dbraw/zinc/57/68/90/453576890.db2.gz ULMWNAADZQMGRC-ZWKOTPCHSA-N 1 3 347.503 1.894 20 0 EDADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000662868282 453579928 /nfs/dbraw/zinc/57/99/28/453579928.db2.gz AYMCGUYIZDOBAQ-QZTJIDSGSA-N 1 3 333.476 1.989 20 0 EDADHO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038986 453593626 /nfs/dbraw/zinc/59/36/26/453593626.db2.gz XNULAEGXBCHUKZ-QGZVFWFLSA-N 1 3 332.448 1.905 20 0 EDADHO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659038986 453593630 /nfs/dbraw/zinc/59/36/30/453593630.db2.gz XNULAEGXBCHUKZ-QGZVFWFLSA-N 1 3 332.448 1.905 20 0 EDADHO COCCN1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660837364 453598594 /nfs/dbraw/zinc/59/85/94/453598594.db2.gz KRIWDUSGKPOUKD-HNNXBMFYSA-N 1 3 326.485 1.269 20 0 EDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cn1cc(Br)ccc1=O ZINC000665282260 453634778 /nfs/dbraw/zinc/63/47/78/453634778.db2.gz UMHJLYUEYCKUSR-WCQYABFASA-N 1 3 330.270 1.962 20 0 EDADHO O=C(C[C@H]1CSCCN1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659355135 453726249 /nfs/dbraw/zinc/72/62/49/453726249.db2.gz KUHAGWCPPMNVDF-JYJNAYRXSA-N 1 3 337.464 1.483 20 0 EDADHO O=C(NCCC[NH+]1CCCCC1)NC1CCN([C@H]2CCOC2)CC1 ZINC000663503943 453811337 /nfs/dbraw/zinc/81/13/37/453811337.db2.gz VIBNZOVRNLIXGL-KRWDZBQOSA-N 1 3 338.496 1.415 20 0 EDADHO C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000382763474 486695714 /nfs/dbraw/zinc/69/57/14/486695714.db2.gz OJGKXJVAZVXOEV-QGZVFWFLSA-N 1 3 330.476 1.015 20 0 EDADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000683719426 486799993 /nfs/dbraw/zinc/79/99/93/486799993.db2.gz QMSPBSDICGMRHN-KRWDZBQOSA-N 1 3 348.491 1.384 20 0 EDADHO C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000683943668 486876306 /nfs/dbraw/zinc/87/63/06/486876306.db2.gz IJYMSXYZKOINQT-MRXNPFEDSA-N 1 3 337.489 1.511 20 0 EDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000430704352 486887896 /nfs/dbraw/zinc/88/78/96/486887896.db2.gz IBEKLUNTNBLVEC-DLBZAZTESA-N 1 3 344.459 1.578 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)NC1CC[NH+](CC2CC2)CC1 ZINC000667793457 486967745 /nfs/dbraw/zinc/96/77/45/486967745.db2.gz AZXVKUWPAPWPIN-UHFFFAOYSA-N 1 3 329.448 1.723 20 0 EDADHO CC(C)[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)N1CCCCC1 ZINC000684174509 486968173 /nfs/dbraw/zinc/96/81/73/486968173.db2.gz JXXZVBDQAHRTSX-FUHWJXTLSA-N 1 3 325.497 1.412 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667795854 486969273 /nfs/dbraw/zinc/96/92/73/486969273.db2.gz SBFCOMMLPFDRMC-INIZCTEOSA-N 1 3 329.448 1.819 20 0 EDADHO C[C@@H](Cn1ccnc1)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681208191 486973332 /nfs/dbraw/zinc/97/33/32/486973332.db2.gz ZYOULSTWEPHKCH-RDJZCZTQSA-N 1 3 348.495 1.082 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000673869950 487140717 /nfs/dbraw/zinc/14/07/17/487140717.db2.gz GYEVLTFFKUKEMX-UHFFFAOYSA-N 1 3 348.495 1.927 20 0 EDADHO CN(C)CCn1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cn1 ZINC000673869950 487140719 /nfs/dbraw/zinc/14/07/19/487140719.db2.gz GYEVLTFFKUKEMX-UHFFFAOYSA-N 1 3 348.495 1.927 20 0 EDADHO C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CCN1CC(C)(C)O ZINC000682167512 487312590 /nfs/dbraw/zinc/31/25/90/487312590.db2.gz HAXSAJHFDGFXLH-QGZVFWFLSA-N 1 3 349.519 1.904 20 0 EDADHO CN(C)CCn1cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000683032529 487443476 /nfs/dbraw/zinc/44/34/76/487443476.db2.gz ROPBOVUZVVUBPC-UHFFFAOYSA-N 1 3 336.484 1.688 20 0 EDADHO O=C(Nc1cnc2c(c1)CNCC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669513468 485478924 /nfs/dbraw/zinc/47/89/24/485478924.db2.gz SPRZDAWWTFXOSF-UHFFFAOYSA-N 1 3 336.439 1.987 20 0 EDADHO CC1([NH3+])CCN(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000669550942 485544696 /nfs/dbraw/zinc/54/46/96/485544696.db2.gz OHHBMUQKNIBXHE-UHFFFAOYSA-N 1 3 331.464 1.821 20 0 EDADHO CN1CCC(Oc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669582988 485631024 /nfs/dbraw/zinc/63/10/24/485631024.db2.gz VOCSTWZYQHSARU-NSCUHMNNSA-N 1 3 332.448 1.474 20 0 EDADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000673770733 485722248 /nfs/dbraw/zinc/72/22/48/485722248.db2.gz DNWIRFLHTWPFPA-CVEARBPZSA-N 1 3 326.485 1.223 20 0 EDADHO COCCN1CC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436820 485748717 /nfs/dbraw/zinc/74/87/17/485748717.db2.gz OYOGCNYNEGTJRD-MOPGFXCFSA-N 1 3 345.487 1.703 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433391773 486094759 /nfs/dbraw/zinc/09/47/59/486094759.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 1 3 338.496 1.269 20 0 EDADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000433391773 486094762 /nfs/dbraw/zinc/09/47/62/486094762.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 1 3 338.496 1.269 20 0 EDADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@H](C)C1 ZINC000120898269 490998535 /nfs/dbraw/zinc/99/85/35/490998535.db2.gz QVWJCRAPTNHVNY-GDBMZVCRSA-N 1 3 336.484 1.639 20 0 EDADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CCN(C)C)c2)[C@H](C)C1 ZINC000120898269 490998537 /nfs/dbraw/zinc/99/85/37/490998537.db2.gz QVWJCRAPTNHVNY-GDBMZVCRSA-N 1 3 336.484 1.639 20 0 EDADHO CCO[C@@H]1C[C@](N)(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056401 527979422 /nfs/dbraw/zinc/97/94/22/527979422.db2.gz SXZBAXGVBKPRGB-APWZRJJASA-N 1 3 333.476 1.897 20 0 EDADHO CCN(CC)C(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954088 528048235 /nfs/dbraw/zinc/04/82/35/528048235.db2.gz MIEQRUZYWMIUJN-MRXNPFEDSA-N 1 3 325.497 1.820 20 0 EDADHO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000262624074 535539107 /nfs/dbraw/zinc/53/91/07/535539107.db2.gz FROBSKXEZSNNHU-UHFFFAOYSA-N 1 3 346.475 1.968 20 0 EDADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000345836546 535753340 /nfs/dbraw/zinc/75/33/40/535753340.db2.gz CWOLUZOPCLPSFM-ROUUACIJSA-N 1 3 344.503 1.833 20 0 EDADHO CN(C)Cc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000262340830 536018572 /nfs/dbraw/zinc/01/85/72/536018572.db2.gz SUPHGWULAZOXCR-UHFFFAOYSA-N 1 3 325.478 1.416 20 0 EDADHO CC[C@H](C(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)N(CC)CC ZINC000347989921 536089957 /nfs/dbraw/zinc/08/99/57/536089957.db2.gz BFWVHIVBXUWKPH-IXDOHACOSA-N 1 3 325.497 1.819 20 0 EDADHO CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000262899238 536560470 /nfs/dbraw/zinc/56/04/70/536560470.db2.gz PITCDUWHQHRJIE-SZMVWBNQSA-N 1 3 333.476 1.862 20 0 EDADHO Cc1ccccc1[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000741779644 579427856 /nfs/dbraw/zinc/42/78/56/579427856.db2.gz ILEKZFZWFOZEAP-GOSISDBHSA-N 1 3 333.476 1.418 20 0 EDADHO CN(C)[C@@]1(CNC(=S)NCC(C)(C)C[NH+](C)C)CCSC1 ZINC000748602358 578497162 /nfs/dbraw/zinc/49/71/62/578497162.db2.gz OQXXAZHEYKOSQK-OAHLLOKOSA-N 1 3 332.583 1.476 20 0 EDADHO C[NH+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000736759573 579018377 /nfs/dbraw/zinc/01/83/77/579018377.db2.gz UONOBAACTQSJMV-UHFFFAOYSA-N 1 3 339.447 1.893 20 0 EDADHO C[NH+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000736759573 579018378 /nfs/dbraw/zinc/01/83/78/579018378.db2.gz UONOBAACTQSJMV-UHFFFAOYSA-N 1 3 339.447 1.893 20 0 EDADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN(C)C ZINC000749829012 579741445 /nfs/dbraw/zinc/74/14/45/579741445.db2.gz KQWTVBGLINDFDT-NVXWUHKLSA-N 1 3 334.533 1.923 20 0 EDADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCCN(C)C ZINC000749829012 579741447 /nfs/dbraw/zinc/74/14/47/579741447.db2.gz KQWTVBGLINDFDT-NVXWUHKLSA-N 1 3 334.533 1.923 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000750287173 579758416 /nfs/dbraw/zinc/75/84/16/579758416.db2.gz AFAXKMBLUSOBNT-HOTGVXAUSA-N 1 3 341.496 1.680 20 0 EDADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000750287173 579758418 /nfs/dbraw/zinc/75/84/18/579758418.db2.gz AFAXKMBLUSOBNT-HOTGVXAUSA-N 1 3 341.496 1.680 20 0 EDADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220349 580459022 /nfs/dbraw/zinc/45/90/22/580459022.db2.gz DVHZFYFDMBNBDB-CVEARBPZSA-N 1 3 340.464 1.655 20 0 EDADHO O=C(NCCCCCCC[NH+]1CCCC1)[C@H]1CN2CCN1CCC2 ZINC000763987908 580109932 /nfs/dbraw/zinc/10/99/32/580109932.db2.gz NEIWOLZEXBATPJ-GOSISDBHSA-N 1 3 336.524 1.539 20 0 EDADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCc1ccon1 ZINC000764461611 580120753 /nfs/dbraw/zinc/12/07/53/580120753.db2.gz FYRYBTSOTBKGJE-HNNXBMFYSA-N 1 3 339.509 1.397 20 0 EDADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=S)NCc1ccon1 ZINC000764461611 580120754 /nfs/dbraw/zinc/12/07/54/580120754.db2.gz FYRYBTSOTBKGJE-HNNXBMFYSA-N 1 3 339.509 1.397 20 0 EDADHO CC(C)N1CCC([NH2+]CCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000765281657 580139287 /nfs/dbraw/zinc/13/92/87/580139287.db2.gz VKOHVJXRQFTWMV-UHFFFAOYSA-N 1 3 339.505 1.568 20 0 EDADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000765964386 580155162 /nfs/dbraw/zinc/15/51/62/580155162.db2.gz MYQBLYXBWCKZEI-KRWDZBQOSA-N 1 3 329.444 1.636 20 0 EDADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC000765964386 580155163 /nfs/dbraw/zinc/15/51/63/580155163.db2.gz MYQBLYXBWCKZEI-KRWDZBQOSA-N 1 3 329.444 1.636 20 0 EDADHO CN1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775386979 580389976 /nfs/dbraw/zinc/38/99/76/580389976.db2.gz UZNFWBQBVZZGQA-PMPSAXMXSA-N 1 3 329.579 1.983 20 0 EDADHO C[N@@H+]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CCC1(C)C ZINC000892118516 590809642 /nfs/dbraw/zinc/80/96/42/590809642.db2.gz HARYZCPQSGZTJV-QGZVFWFLSA-N 1 3 330.476 1.999 20 0 EDADHO C[N@H+]1CCN(C(=O)NC[C@H]2NCCc3ccccc32)CCC1(C)C ZINC000892118516 590809646 /nfs/dbraw/zinc/80/96/46/590809646.db2.gz HARYZCPQSGZTJV-QGZVFWFLSA-N 1 3 330.476 1.999 20 0 EDADHO C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)CC[C@H]21 ZINC000892119120 590809809 /nfs/dbraw/zinc/80/98/09/590809809.db2.gz MQJGOUCUTMFZNT-BPQIPLTHSA-N 1 3 328.460 1.609 20 0 EDADHO C[N@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3NCCc4ccccc43)CC[C@H]21 ZINC000892119120 590809811 /nfs/dbraw/zinc/80/98/11/590809811.db2.gz MQJGOUCUTMFZNT-BPQIPLTHSA-N 1 3 328.460 1.609 20 0 EDADHO CN(C)CCn1c2cc(NCC3CC[NH+](C)CC3)ccc2oc1=O ZINC000893369119 590812121 /nfs/dbraw/zinc/81/21/21/590812121.db2.gz DODBWOYTQZPUNX-UHFFFAOYSA-N 1 3 332.448 1.910 20 0 EDADHO [NH3+]Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3CN2)c(F)c1 ZINC000892225550 590874055 /nfs/dbraw/zinc/87/40/55/590874055.db2.gz OWHIWKDWAGBCML-QGZVFWFLSA-N 1 3 342.418 1.798 20 0 EDADHO CC1(C)OC[C@H](CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)O1 ZINC000893488335 590904908 /nfs/dbraw/zinc/90/49/08/590904908.db2.gz SSBJQKLIQJJNPC-MSOLQXFVSA-N 1 3 334.460 1.884 20 0 EDADHO CC1(C)OC[C@H](CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)O1 ZINC000893488335 590904911 /nfs/dbraw/zinc/90/49/11/590904911.db2.gz SSBJQKLIQJJNPC-MSOLQXFVSA-N 1 3 334.460 1.884 20 0 EDADHO COCCN(CC1CCN(C)CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000892273124 590905543 /nfs/dbraw/zinc/90/55/43/590905543.db2.gz GUAPQBUWBORSGB-INIZCTEOSA-N 1 3 338.496 1.271 20 0 EDADHO CCN(C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000891517181 591103379 /nfs/dbraw/zinc/10/33/79/591103379.db2.gz XTNHRDQBVBAOQF-QGZVFWFLSA-N 1 3 348.491 1.563 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876985 591125379 /nfs/dbraw/zinc/12/53/79/591125379.db2.gz DHGCYDXXIQLEOY-MHORFTMASA-N 1 3 328.460 1.635 20 0 EDADHO CN1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876985 591125381 /nfs/dbraw/zinc/12/53/81/591125381.db2.gz DHGCYDXXIQLEOY-MHORFTMASA-N 1 3 328.460 1.635 20 0 EDADHO COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3C)CC1 ZINC000892687844 591130588 /nfs/dbraw/zinc/13/05/88/591130588.db2.gz YFPBSRNKMFPJGL-IAGOWNOFSA-N 1 3 338.496 1.365 20 0 EDADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2Cc3ccccc3CN2)CCSC1 ZINC000891639752 591162600 /nfs/dbraw/zinc/16/26/00/591162600.db2.gz SSGWKSKKMUJCOI-AEFFLSMTSA-N 1 3 348.516 1.437 20 0 EDADHO CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000892789371 591179109 /nfs/dbraw/zinc/17/91/09/591179109.db2.gz NJFDOTDOJUUSPR-QGZVFWFLSA-N 1 3 330.476 1.875 20 0 EDADHO COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCCN(C)C2)CC1 ZINC000892883779 591216195 /nfs/dbraw/zinc/21/61/95/591216195.db2.gz GEQBPDARUURSSC-HNNXBMFYSA-N 1 3 340.512 1.611 20 0 EDADHO CCC1([NH3+])CCN(C(=O)N(CCN(C)C)Cc2ccccn2)CC1 ZINC000892924167 591226545 /nfs/dbraw/zinc/22/65/45/591226545.db2.gz ZVDNRDRIJPGUKN-UHFFFAOYSA-N 1 3 333.480 1.769 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000894367279 591291682 /nfs/dbraw/zinc/29/16/82/591291682.db2.gz RRCWAUZIFDNJRA-MSOLQXFVSA-N 1 3 348.491 1.209 20 0 EDADHO CN(C)CCOCCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000894367279 591291683 /nfs/dbraw/zinc/29/16/83/591291683.db2.gz RRCWAUZIFDNJRA-MSOLQXFVSA-N 1 3 348.491 1.209 20 0 EDADHO CN1CCN(Cc2ccccc2)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000894631706 591372502 /nfs/dbraw/zinc/37/25/02/591372502.db2.gz OWDGIIXBNHFOOW-GOSISDBHSA-N 1 3 326.444 1.224 20 0 EDADHO CCn1cc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)n1 ZINC000894895674 591462708 /nfs/dbraw/zinc/46/27/08/591462708.db2.gz REVQXLALIJLJEV-UHFFFAOYSA-N 1 3 335.496 1.098 20 0 EDADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000896792094 591613429 /nfs/dbraw/zinc/61/34/29/591613429.db2.gz YDTGEGKDTRQXSF-MRXNPFEDSA-N 1 3 335.492 1.288 20 0 EDADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000896792094 591613431 /nfs/dbraw/zinc/61/34/31/591613431.db2.gz YDTGEGKDTRQXSF-MRXNPFEDSA-N 1 3 335.492 1.288 20 0 EDADHO C[C@H]1CN(c2ccncc2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000895268505 591690463 /nfs/dbraw/zinc/69/04/63/591690463.db2.gz NMJGPCQAWMTQBF-HNNXBMFYSA-N 1 3 328.460 1.993 20 0 EDADHO Cc1ccccc1C[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC000899871111 591966724 /nfs/dbraw/zinc/96/67/24/591966724.db2.gz OEVSMPQPLXMCKS-LJQANCHMSA-N 1 3 348.487 1.451 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316698 591976784 /nfs/dbraw/zinc/97/67/84/591976784.db2.gz BXQZDLZJRKOXJS-CABCVRRESA-N 1 3 330.476 1.732 20 0 EDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC000902403896 591991330 /nfs/dbraw/zinc/99/13/30/591991330.db2.gz UMODTEUTGWFLHE-QZTJIDSGSA-N 1 3 338.540 1.151 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900416676 592013151 /nfs/dbraw/zinc/01/31/51/592013151.db2.gz CHXAYEYYWKYHHX-IBGZPJMESA-N 1 3 333.476 1.424 20 0 EDADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900416676 592013154 /nfs/dbraw/zinc/01/31/54/592013154.db2.gz CHXAYEYYWKYHHX-IBGZPJMESA-N 1 3 333.476 1.424 20 0 EDADHO CN1CCC[C@@](O)(CC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000900658974 592083320 /nfs/dbraw/zinc/08/33/20/592083320.db2.gz JZNZLBQITCPAKP-GOSISDBHSA-N 1 3 325.497 1.606 20 0 EDADHO CC[NH+](CC)C[C@H](C)NC(=O)CCCN1CCN(C(C)C)CC1 ZINC000900694120 592088015 /nfs/dbraw/zinc/08/80/15/592088015.db2.gz FAZBQBXKGVUSED-KRWDZBQOSA-N 1 3 326.529 1.639 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900689020 592095410 /nfs/dbraw/zinc/09/54/10/592095410.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 1 3 336.524 1.537 20 0 EDADHO CCN1CCN(CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900689020 592095412 /nfs/dbraw/zinc/09/54/12/592095412.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 1 3 336.524 1.537 20 0 EDADHO CCO[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000903018079 592097361 /nfs/dbraw/zinc/09/73/61/592097361.db2.gz WZJVZAXBQFSBNN-MSOLQXFVSA-N 1 3 339.524 1.720 20 0 EDADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903090898 592118522 /nfs/dbraw/zinc/11/85/22/592118522.db2.gz IWHXHLAUMQVOAE-OALUTQOASA-N 1 3 334.460 1.707 20 0 EDADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903105327 592121000 /nfs/dbraw/zinc/12/10/00/592121000.db2.gz BADQFXKLCKHJAV-PMACEKPBSA-N 1 3 346.471 1.681 20 0 EDADHO CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(CN(C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112452 592122916 /nfs/dbraw/zinc/12/29/16/592122916.db2.gz NHOLBEMEWVEJTD-GPCOZRISSA-N 1 3 338.492 1.788 20 0 EDADHO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116865 592123384 /nfs/dbraw/zinc/12/33/84/592123384.db2.gz JSGBVLAOCVUGDH-SGFSRKTBSA-N 1 3 339.524 1.703 20 0 EDADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903148022 592129099 /nfs/dbraw/zinc/12/90/99/592129099.db2.gz PBYOZGQDZZINGB-CEXWTWQISA-N 1 3 332.444 1.291 20 0 EDADHO COc1ccnc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1OC ZINC000903506748 592180395 /nfs/dbraw/zinc/18/03/95/592180395.db2.gz YIGBRHLDQPLKTK-IYBDPMFKSA-N 1 3 346.475 1.499 20 0 EDADHO COc1ccnc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1OC ZINC000903506748 592180398 /nfs/dbraw/zinc/18/03/98/592180398.db2.gz YIGBRHLDQPLKTK-IYBDPMFKSA-N 1 3 346.475 1.499 20 0 EDADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN([C@H](C)C(=O)N(C(C)C)C(C)C)C2 ZINC000903493677 592186255 /nfs/dbraw/zinc/18/62/55/592186255.db2.gz ZOLFJLKJRLKFHD-FSZRXZPDSA-N 1 3 339.480 1.233 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903511785 592191162 /nfs/dbraw/zinc/19/11/62/592191162.db2.gz ZUIHCZHFRJVZTO-KANFNMMFSA-N 1 3 348.535 1.582 20 0 EDADHO C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903511785 592191165 /nfs/dbraw/zinc/19/11/65/592191165.db2.gz ZUIHCZHFRJVZTO-KANFNMMFSA-N 1 3 348.535 1.582 20 0 EDADHO CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656792 592238755 /nfs/dbraw/zinc/23/87/55/592238755.db2.gz UVCILWFWCHMOCI-HNNXBMFYSA-N 1 3 332.448 1.372 20 0 EDADHO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])n(C2CCN(C)CC2)n1 ZINC000904366814 592241946 /nfs/dbraw/zinc/24/19/46/592241946.db2.gz PYYVFEVYARLEMY-RDTXWAMCSA-N 1 3 346.479 1.803 20 0 EDADHO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C34CCN(CC3)C4)nc2)C1 ZINC000901157459 592266328 /nfs/dbraw/zinc/26/63/28/592266328.db2.gz OTYVJNSOAGRYRQ-HNNXBMFYSA-N 1 3 329.448 1.256 20 0 EDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000904473151 592268713 /nfs/dbraw/zinc/26/87/13/592268713.db2.gz OLPKJTLXOAILFQ-YESZJQIVSA-N 1 3 333.480 1.841 20 0 EDADHO Cc1occc1C(=O)NC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730331 592287008 /nfs/dbraw/zinc/28/70/08/592287008.db2.gz VMJBDVVONISZGZ-APWZRJJASA-N 1 3 347.459 1.551 20 0 EDADHO c1ccc(CCN2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734047 592297890 /nfs/dbraw/zinc/29/78/90/592297890.db2.gz UDCPVGDNHOHVHQ-PMACEKPBSA-N 1 3 329.488 1.615 20 0 EDADHO CN(C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764823 592321051 /nfs/dbraw/zinc/32/10/51/592321051.db2.gz JCSVYWHXAMZYMA-IBGZPJMESA-N 1 3 344.459 1.084 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN(CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893177 592365795 /nfs/dbraw/zinc/36/57/95/592365795.db2.gz RXSMLXKFFHWSGI-OXJNMPFZSA-N 1 3 342.487 1.828 20 0 EDADHO Cc1nnc([C@H]2CCCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]1 ZINC000903898082 592368733 /nfs/dbraw/zinc/36/87/33/592368733.db2.gz IQSMZVCMDOXXRM-UONOGXRCSA-N 1 3 330.440 1.009 20 0 EDADHO C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2cc(F)ccc2CN1 ZINC000903918488 592375687 /nfs/dbraw/zinc/37/56/87/592375687.db2.gz AKULUHIURSWMRZ-CJNGLKHVSA-N 1 3 344.438 1.840 20 0 EDADHO Cc1c(C[C@H](CN)C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903925204 592379865 /nfs/dbraw/zinc/37/98/65/592379865.db2.gz LYPSGJUJJWNMJV-MRXNPFEDSA-N 1 3 349.523 1.473 20 0 EDADHO Cc1c(C[C@H](C[NH3+])CNC2CCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903925204 592379872 /nfs/dbraw/zinc/37/98/72/592379872.db2.gz LYPSGJUJJWNMJV-MRXNPFEDSA-N 1 3 349.523 1.473 20 0 EDADHO Cc1nn(C)c(C)c1C[C@@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927006 592381140 /nfs/dbraw/zinc/38/11/40/592381140.db2.gz WOOABDGEWXESBT-IUODEOHRSA-N 1 3 331.468 1.274 20 0 EDADHO Cc1c(C[C@@H](C[NH3+])CN2CCC([C@@]3(C)COC(=O)N3)CC2)cnn1C ZINC000903986693 592406061 /nfs/dbraw/zinc/40/60/61/592406061.db2.gz POPWAOLFEHCTGK-KBXCAEBGSA-N 1 3 349.479 1.056 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424327 592490237 /nfs/dbraw/zinc/49/02/37/592490237.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 1 3 336.524 1.347 20 0 EDADHO CC(C)N1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000908424327 592490240 /nfs/dbraw/zinc/49/02/40/592490240.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 1 3 336.524 1.347 20 0 EDADHO CCN1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@H]1C(C)C ZINC000905501451 592546262 /nfs/dbraw/zinc/54/62/62/592546262.db2.gz GFDUCNDFKMXPGO-VHPHOLNESA-N 1 3 342.524 1.622 20 0 EDADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CN(C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497136 592553614 /nfs/dbraw/zinc/55/36/14/592553614.db2.gz WYHPKKPCUVTEDP-TZNCUMHOSA-N 1 3 328.497 1.232 20 0 EDADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645827 592865749 /nfs/dbraw/zinc/86/57/49/592865749.db2.gz LMDJSKASMXASOD-UONOGXRCSA-N 1 3 332.448 1.320 20 0 EDADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645825 592865755 /nfs/dbraw/zinc/86/57/55/592865755.db2.gz LMDJSKASMXASOD-KGLIPLIRSA-N 1 3 332.448 1.320 20 0 EDADHO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000911635675 592971911 /nfs/dbraw/zinc/97/19/11/592971911.db2.gz KRJNQAFIDKMIMI-LJQANCHMSA-N 1 3 331.460 1.226 20 0 EDADHO CN(C)CCOc1ccc(/C=C\C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000911714098 592986170 /nfs/dbraw/zinc/98/61/70/592986170.db2.gz NTOQZGQAHJNHHY-SDMNGIDPSA-N 1 3 331.460 1.899 20 0 EDADHO [NH3+]CCCOC1CCN(C(=O)c2cccc3c2OCCNC3)CC1 ZINC000911875155 593029238 /nfs/dbraw/zinc/02/92/38/593029238.db2.gz JPPVWXDUASFLOW-UHFFFAOYSA-N 1 3 333.432 1.139 20 0 EDADHO CC(C)C[NH2+]C1(CO)CCN(C(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000912588057 593106633 /nfs/dbraw/zinc/10/66/33/593106633.db2.gz IGSXZGJTNFJJEL-HZPDHXFCSA-N 1 3 325.497 1.458 20 0 EDADHO CCn1ncc(C[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)n1 ZINC000838970160 593244734 /nfs/dbraw/zinc/24/47/34/593244734.db2.gz JNJHNHPGTGXJNL-UHFFFAOYSA-N 1 3 336.484 1.014 20 0 EDADHO COCC[NH+](CCOC)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000804628134 593428713 /nfs/dbraw/zinc/42/87/13/593428713.db2.gz WMULSMYIJJTRLK-UHFFFAOYSA-N 1 3 341.496 1.057 20 0 EDADHO C[NH+]1CCC(N2CCC(NC(=O)NOC/C=C/Cl)CC2)CC1 ZINC000811875561 593485081 /nfs/dbraw/zinc/48/50/81/593485081.db2.gz YCIPBVXWKOUNIK-FARCUNLSSA-N 1 3 330.860 1.528 20 0 EDADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813323080 593525968 /nfs/dbraw/zinc/52/59/68/593525968.db2.gz LCTPKHAOEOJTTJ-CYBMUJFWSA-N 1 3 344.459 1.987 20 0 EDADHO O[C@@H](CNC1(Cc2cccc(F)c2)CCOCC1)C[NH+]1CCCC1 ZINC000815151495 593618147 /nfs/dbraw/zinc/61/81/47/593618147.db2.gz GOHSDBUJZWQIQF-SFHVURJKSA-N 1 3 336.451 1.964 20 0 EDADHO O[C@]1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000817914603 593648039 /nfs/dbraw/zinc/64/80/39/593648039.db2.gz VPFWWCDEPRQHOK-NBYUQASBSA-N 1 3 330.472 1.957 20 0 EDADHO CS(=O)(=O)CCNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000819207124 593744240 /nfs/dbraw/zinc/74/42/40/593744240.db2.gz FJLZSIGRNBXPIW-UHFFFAOYSA-N 1 3 340.489 1.338 20 0 EDADHO